USER MOD reduce.3.24.130724 H: found=0, std=0, add=1721, rem=0, adj=69 USER MOD reduce.3.24.130724 removed 1727 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 16 HIS :FLIP no HD1:sc= -4.15! C(o=-6.9!,f=-6.2!) USER MOD Set 1.2: B 108 CYS SG : rot -105:sc= -2.07! USER MOD Set 2.1: B 90 THR OG1 : rot -93:sc= 1.15 USER MOD Set 2.2: B 110 ASN : amide:sc= 0.677 K(o=1.8,f=-1.4) USER MOD Set 3.1: B 73 SER OG : rot -90:sc= 1.14 USER MOD Set 3.2: B 91 SER OG : rot 180:sc= 1.04 USER MOD Set 4.1: B 35 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: B 83 GLN : amide:sc= 0.725 K(o=0.72,f=-7!) USER MOD Set 5.1: A 70 GLN : amide:sc= -0.0509 X(o=-0.048,f=-0.032) USER MOD Set 5.2: A 109 SER OG : rot 180:sc= 0.00301 USER MOD Set 6.1: A 99 GLN : amide:sc= -0.779 X(o=-1.5,f=-1.1) USER MOD Set 6.2: A 100 CYS SG : rot -178:sc= -0.692! USER MOD Set 7.1: A 86 GLN : amide:sc= 1.15 K(o=1.6,f=0.43) USER MOD Set 7.2: A 88 THR OG1 : rot 76:sc= 0.431 USER MOD Set 8.1: A 59 ASN : amide:sc= -0.0638 K(o=-0.064,f=-1.7) USER MOD Set 8.2: A 63 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0347) USER MOD Set 9.1: A 57 HIS : no HD1:sc=-0.00137 K(o=0.45,f=-0.11) USER MOD Set 9.2: A 61 CYS SG : rot 75:sc= 0.452 USER MOD Set10.1: A 10 SER OG : rot 78:sc= 1.31 USER MOD Set10.2: A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set10.3: A 71 TYR OH : rot 90:sc= 0.821 USER MOD Set10.4: A 85 THR OG1 : rot 167:sc= 1.69 USER MOD Set10.5: A 105 ASN : amide:sc= -0.561 K(o=3.3,f=-0.22!) USER MOD Set11.1: A 12 HIS : +bothHN:sc= 0.326 K(o=1.2,f=-5.3!) USER MOD Set11.2: A 16 MET CE :methyl -167:sc=-0.000514 (180deg=0) USER MOD Set11.3: A 45 TYR OH : rot -101:sc= 1.87 USER MOD Set11.4: A 103 CYS SG : rot -162:sc= -0.983 USER MOD Set12.1: A 42 TYR OH : rot -159:sc= 1.06 USER MOD Set12.2: A 54 THR OG1 : rot 94:sc= 2.24 USER MOD Set13.1: A 20 TYR OH : rot -120:sc= 0.141 USER MOD Set13.2: B 27 HIS : no HD1:sc= 0 X(o=0.14,f=0.13) USER MOD Set14.1: A 13 SER OG : rot 170:sc= 0.891 USER MOD Set14.2: A 19 THR OG1 : rot -50:sc= 0.851 USER MOD Set15.1: A 7 THR OG1 : rot 106:sc= 1.35 USER MOD Set15.2: B 97 ASN : amide:sc= 2.31 K(o=3.7,f=2) USER MOD Single : A 6 LYS NZ :NH3+ -138:sc= 1.18 (180deg=-0.309) USER MOD Single : A 14 MET CE :methyl 177:sc= 0 (180deg=-0.0095) USER MOD Single : A 17 LYS NZ :NH3+ 140:sc= 1.13 (180deg=-0.425!) USER MOD Single : A 21 CYS SG : rot 116:sc= 0.915 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.384 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS :FLIP no HD1:sc= -0.779 F(o=-2.3!,f=-0.78) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS : +bothHN:sc= -0.983 K(o=-0.98,f=-9.2!) USER MOD Single : A 50 SER OG : rot -72:sc= 0.319 USER MOD Single : A 52 ASN : amide:sc=-0.00024 X(o=-0.00024,f=-0.25) USER MOD Single : A 55 LYS NZ :NH3+ 127:sc= 1.26 (180deg=0.673) USER MOD Single : A 56 SER OG : rot 77:sc= 1.25 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0183 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 68 SER OG : rot 71:sc= 1.41 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0207) USER MOD Single : A 77 HIS :FLIP no HE2:sc= -0.318 F(o=-1,f=-0.32) USER MOD Single : A 80 TYR OH : rot 180:sc=-0.00301 USER MOD Single : A 91 TYR OH : rot -136:sc= 0.665 USER MOD Single : A 92 ASN : amide:sc= -0.8 K(o=-0.8,f=-8.6!) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 GLN : amide:sc= -3.01! C(o=-3!,f=-14!) USER MOD Single : A 102 MET CE :methyl -116:sc= -0.0707 (180deg=-0.43) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : B 7 CYS SG : rot -20:sc= 0.00313 USER MOD Single : B 8 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.43) USER MOD Single : B 10 THR OG1 : rot -110:sc= 0.791 USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 17 ASN : amide:sc= -0.982 K(o=-0.98,f=-8.1!) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0.0599 USER MOD Single : B 29 CYS SG : rot 13:sc= -0.369 USER MOD Single : B 32 THR OG1 : rot 95:sc= 0.728 USER MOD Single : B 36 GLN :FLIP amide:sc= -0.706 F(o=-2.6!,f=-0.71) USER MOD Single : B 38 GLN : amide:sc= 0.893 K(o=0.89,f=-5.4!) USER MOD Single : B 43 LYS NZ :NH3+ -169:sc= 1.23 (180deg=1.01) USER MOD Single : B 44 ASN : amide:sc= 0.543 K(o=0.54,f=-0.083) USER MOD Single : B 49 CYS SG : rot 75:sc= -0.424 USER MOD Single : B 50 HIS : no HE2:sc= -0.645! C(o=-0.64!,f=-5.9!) USER MOD Single : B 54 GLN : amide:sc= 0.804 K(o=0.8,f=-0.39) USER MOD Single : B 55 GLN : amide:sc= -0.0183 K(o=-0.018,f=-3.1!) USER MOD Single : B 60 SER OG : rot 96:sc= 1.23 USER MOD Single : B 62 GLN :FLIP amide:sc= -0.0591 F(o=-1,f=-0.059) USER MOD Single : B 63 GLN : amide:sc= 0.683 K(o=0.68,f=0) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 LYS NZ :NH3+ -168:sc= 1.2 (180deg=1.09) USER MOD Single : B 70 GLN : amide:sc= 0.62 K(o=0.62,f=-0.095) USER MOD Single : B 75 MET CE :methyl 172:sc= -1.33 (180deg=-1.52) USER MOD Single : B 80 SER OG : rot 180:sc= -0.241 USER MOD Single : B 81 LYS NZ :NH3+ 175:sc= 1.3 (180deg=1.23) USER MOD Single : B 82 ASN : amide:sc= 1.23 K(o=1.2,f=-0.19) USER MOD Single : B 88 MET CE :methyl -119:sc= -0.43 (180deg=-3.17!) USER MOD Single : B 92 SER OG : rot 150:sc= 0 USER MOD Single : B 94 THR OG1 : rot -138:sc= 1.13 USER MOD Single : B 96 GLN : amide:sc= 0.752 K(o=0.75,f=-0.56) USER MOD Single : B 99 TYR OH : rot -142:sc= 1.14 USER MOD Single : B 100 SER OG : rot 180:sc= 0 USER MOD Single : B 105 TYR OH : rot -165:sc= 0.852 USER MOD Single : B 109 THR OG1 : rot 130:sc= 0 USER MOD Single : B 111 THR OG1 : rot 74:sc= 0.642 USER MOD Single : B 112 ASN : amide:sc= 0.408 K(o=0.41,f=-8.5!) USER MOD Single : B 114 LYS NZ :NH3+ 171:sc= -0.0156 (180deg=-0.137) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 6 -11.795 12.690 0.515 1.00 0.00 N ATOM 2 CA LYS A 6 -10.473 12.150 0.900 1.00 0.00 C ATOM 3 C LYS A 6 -10.220 10.794 0.242 1.00 0.00 C ATOM 4 O LYS A 6 -11.129 10.191 -0.333 1.00 0.00 O ATOM 5 CB LYS A 6 -10.377 12.020 2.423 1.00 0.00 C ATOM 6 CG LYS A 6 -10.399 13.353 3.152 1.00 0.00 C ATOM 7 CD LYS A 6 -9.991 13.194 4.604 1.00 0.00 C ATOM 8 CE LYS A 6 -9.751 14.541 5.264 1.00 0.00 C ATOM 9 NZ LYS A 6 -9.115 14.408 6.602 1.00 0.00 N ATOM 0 HA LYS A 6 -9.710 12.846 0.552 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.205 11.407 2.779 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.458 11.492 2.677 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.725 14.052 2.657 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.399 13.783 3.098 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.769 12.656 5.145 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.085 12.591 4.665 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.116 15.150 4.621 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.700 15.068 5.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.563 15.071 7.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.236 13.435 6.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.101 14.625 6.527 1.00 0.00 H new ATOM 25 N THR A 7 -8.979 10.332 0.319 1.00 0.00 N ATOM 26 CA THR A 7 -8.592 9.055 -0.262 1.00 0.00 C ATOM 27 C THR A 7 -8.200 8.067 0.839 1.00 0.00 C ATOM 28 O THR A 7 -7.627 8.457 1.855 1.00 0.00 O ATOM 29 CB THR A 7 -7.412 9.236 -1.242 1.00 0.00 C ATOM 30 OG1 THR A 7 -7.585 10.443 -1.998 1.00 0.00 O ATOM 31 CG2 THR A 7 -7.307 8.054 -2.194 1.00 0.00 C ATOM 0 H THR A 7 -8.218 10.828 0.783 1.00 0.00 H new ATOM 0 HA THR A 7 -9.447 8.659 -0.811 1.00 0.00 H new ATOM 0 HB THR A 7 -6.493 9.296 -0.658 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.964 11.126 -1.670 1.00 0.00 H new ATOM 0 HG21 THR A 7 -6.468 8.207 -2.873 1.00 0.00 H new ATOM 0 HG22 THR A 7 -7.149 7.139 -1.622 1.00 0.00 H new ATOM 0 HG23 THR A 7 -8.229 7.967 -2.770 1.00 0.00 H new ATOM 39 N PHE A 8 -8.530 6.799 0.644 1.00 0.00 N ATOM 40 CA PHE A 8 -8.208 5.767 1.620 1.00 0.00 C ATOM 41 C PHE A 8 -7.598 4.549 0.934 1.00 0.00 C ATOM 42 O PHE A 8 -8.066 4.115 -0.115 1.00 0.00 O ATOM 43 CB PHE A 8 -9.470 5.371 2.401 1.00 0.00 C ATOM 44 CG PHE A 8 -9.337 4.097 3.191 1.00 0.00 C ATOM 45 CD1 PHE A 8 -8.384 3.978 4.191 1.00 0.00 C ATOM 46 CD2 PHE A 8 -10.167 3.020 2.932 1.00 0.00 C ATOM 47 CE1 PHE A 8 -8.262 2.807 4.914 1.00 0.00 C ATOM 48 CE2 PHE A 8 -10.050 1.848 3.652 1.00 0.00 C ATOM 49 CZ PHE A 8 -9.096 1.740 4.644 1.00 0.00 C ATOM 0 H PHE A 8 -9.021 6.459 -0.183 1.00 0.00 H new ATOM 0 HA PHE A 8 -7.473 6.165 2.319 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -9.730 6.181 3.082 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -10.298 5.265 1.700 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.730 4.810 4.407 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -10.915 3.098 2.157 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -7.515 2.726 5.690 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -10.705 1.016 3.439 1.00 0.00 H new ATOM 0 HZ PHE A 8 -9.002 0.823 5.207 1.00 0.00 H new ATOM 59 N LEU A 9 -6.545 4.007 1.524 1.00 0.00 N ATOM 60 CA LEU A 9 -5.884 2.838 0.968 1.00 0.00 C ATOM 61 C LEU A 9 -6.347 1.580 1.697 1.00 0.00 C ATOM 62 O LEU A 9 -5.915 1.304 2.816 1.00 0.00 O ATOM 63 CB LEU A 9 -4.358 2.981 1.065 1.00 0.00 C ATOM 64 CG LEU A 9 -3.549 2.273 -0.033 1.00 0.00 C ATOM 65 CD1 LEU A 9 -3.566 0.764 0.157 1.00 0.00 C ATOM 66 CD2 LEU A 9 -4.077 2.640 -1.410 1.00 0.00 C ATOM 0 H LEU A 9 -6.130 4.358 2.387 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.153 2.755 -0.085 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.109 4.042 1.046 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.037 2.596 2.033 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.516 2.611 0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.985 0.291 -0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.131 0.514 1.125 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.594 0.404 0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.490 2.128 -2.173 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.121 2.338 -1.492 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.999 3.718 -1.554 1.00 0.00 H new ATOM 78 N SER A 10 -7.238 0.833 1.064 1.00 0.00 N ATOM 79 CA SER A 10 -7.752 -0.398 1.643 1.00 0.00 C ATOM 80 C SER A 10 -6.813 -1.556 1.312 1.00 0.00 C ATOM 81 O SER A 10 -7.066 -2.337 0.391 1.00 0.00 O ATOM 82 CB SER A 10 -9.165 -0.685 1.121 1.00 0.00 C ATOM 83 OG SER A 10 -9.754 0.483 0.563 1.00 0.00 O ATOM 0 H SER A 10 -7.621 1.059 0.146 1.00 0.00 H new ATOM 0 HA SER A 10 -7.805 -0.286 2.726 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.124 -1.471 0.367 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.788 -1.056 1.935 1.00 0.00 H new ATOM 0 HG SER A 10 -9.383 0.642 -0.330 1.00 0.00 H new ATOM 89 N ARG A 11 -5.714 -1.641 2.050 1.00 0.00 N ATOM 90 CA ARG A 11 -4.722 -2.687 1.839 1.00 0.00 C ATOM 91 C ARG A 11 -5.254 -4.045 2.282 1.00 0.00 C ATOM 92 O ARG A 11 -5.336 -4.330 3.476 1.00 0.00 O ATOM 93 CB ARG A 11 -3.438 -2.358 2.605 1.00 0.00 C ATOM 94 CG ARG A 11 -2.197 -2.301 1.730 1.00 0.00 C ATOM 95 CD ARG A 11 -1.889 -3.651 1.108 1.00 0.00 C ATOM 96 NE ARG A 11 -0.518 -3.720 0.608 1.00 0.00 N ATOM 97 CZ ARG A 11 0.405 -4.547 1.096 1.00 0.00 C ATOM 98 NH1 ARG A 11 0.100 -5.352 2.103 1.00 0.00 N ATOM 99 NH2 ARG A 11 1.632 -4.562 0.592 1.00 0.00 N ATOM 0 H ARG A 11 -5.486 -0.994 2.805 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.504 -2.735 0.772 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.561 -1.398 3.106 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.288 -3.107 3.383 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.340 -1.561 0.942 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.346 -1.972 2.326 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.046 -4.436 1.848 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.584 -3.841 0.290 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.253 -3.100 -0.158 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.839 -5.337 2.502 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.804 -5.987 2.480 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.876 -3.937 -0.176 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.332 -5.199 0.973 1.00 0.00 H new ATOM 113 N HIS A 12 -5.613 -4.875 1.313 1.00 0.00 N ATOM 114 CA HIS A 12 -6.130 -6.208 1.594 1.00 0.00 C ATOM 115 C HIS A 12 -5.019 -7.236 1.466 1.00 0.00 C ATOM 116 O HIS A 12 -4.346 -7.292 0.444 1.00 0.00 O ATOM 117 CB HIS A 12 -7.272 -6.562 0.641 1.00 0.00 C ATOM 118 CG HIS A 12 -8.560 -5.867 0.954 1.00 0.00 C ATOM 119 ND1 HIS A 12 -9.073 -5.764 2.226 1.00 0.00 N ATOM 120 CD2 HIS A 12 -9.449 -5.254 0.143 1.00 0.00 C ATOM 121 CE1 HIS A 12 -10.219 -5.117 2.183 1.00 0.00 C ATOM 122 NE2 HIS A 12 -10.475 -4.796 0.930 1.00 0.00 N ATOM 0 H HIS A 12 -5.555 -4.648 0.320 1.00 0.00 H new ATOM 0 HA HIS A 12 -6.514 -6.215 2.614 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -6.973 -6.312 -0.377 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -7.435 -7.639 0.670 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -8.634 -6.131 3.070 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -9.367 -5.144 -0.928 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -10.845 -4.887 3.033 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -11.298 -4.292 0.601 1.00 0.00 H new ATOM 131 N SER A 13 -4.823 -8.041 2.496 1.00 0.00 N ATOM 132 CA SER A 13 -3.773 -9.048 2.469 1.00 0.00 C ATOM 133 C SER A 13 -4.332 -10.465 2.549 1.00 0.00 C ATOM 134 O SER A 13 -5.163 -10.762 3.408 1.00 0.00 O ATOM 135 CB SER A 13 -2.792 -8.802 3.618 1.00 0.00 C ATOM 136 OG SER A 13 -3.396 -8.050 4.664 1.00 0.00 O ATOM 0 H SER A 13 -5.372 -8.019 3.356 1.00 0.00 H new ATOM 0 HA SER A 13 -3.254 -8.960 1.515 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.441 -9.757 4.010 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.917 -8.270 3.244 1.00 0.00 H new ATOM 0 HG SER A 13 -2.806 -8.046 5.447 1.00 0.00 H new ATOM 142 N MET A 14 -3.878 -11.311 1.619 1.00 0.00 N ATOM 143 CA MET A 14 -4.253 -12.730 1.545 1.00 0.00 C ATOM 144 C MET A 14 -5.760 -12.977 1.651 1.00 0.00 C ATOM 145 O MET A 14 -6.474 -12.968 0.645 1.00 0.00 O ATOM 146 CB MET A 14 -3.512 -13.526 2.626 1.00 0.00 C ATOM 147 CG MET A 14 -2.010 -13.604 2.402 1.00 0.00 C ATOM 148 SD MET A 14 -1.118 -14.249 3.832 1.00 0.00 S ATOM 149 CE MET A 14 -1.601 -15.973 3.794 1.00 0.00 C ATOM 0 H MET A 14 -3.230 -11.027 0.885 1.00 0.00 H new ATOM 0 HA MET A 14 -3.957 -13.073 0.554 1.00 0.00 H new ATOM 0 HB2 MET A 14 -3.703 -13.069 3.597 1.00 0.00 H new ATOM 0 HB3 MET A 14 -3.918 -14.537 2.664 1.00 0.00 H new ATOM 0 HG2 MET A 14 -1.809 -14.238 1.539 1.00 0.00 H new ATOM 0 HG3 MET A 14 -1.632 -12.610 2.162 1.00 0.00 H new ATOM 0 HE1 MET A 14 -1.085 -16.513 4.588 1.00 0.00 H new ATOM 0 HE2 MET A 14 -2.678 -16.052 3.941 1.00 0.00 H new ATOM 0 HE3 MET A 14 -1.334 -16.404 2.829 1.00 0.00 H new ATOM 159 N ASP A 15 -6.237 -13.182 2.874 1.00 0.00 N ATOM 160 CA ASP A 15 -7.645 -13.474 3.141 1.00 0.00 C ATOM 161 C ASP A 15 -8.525 -12.224 3.114 1.00 0.00 C ATOM 162 O ASP A 15 -9.510 -12.137 3.848 1.00 0.00 O ATOM 163 CB ASP A 15 -7.784 -14.177 4.494 1.00 0.00 C ATOM 164 CG ASP A 15 -7.008 -13.484 5.593 1.00 0.00 C ATOM 165 OD1 ASP A 15 -5.762 -13.588 5.603 1.00 0.00 O ATOM 166 OD2 ASP A 15 -7.635 -12.836 6.459 1.00 0.00 O ATOM 0 H ASP A 15 -5.657 -13.151 3.713 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.992 -14.127 2.341 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.838 -14.220 4.770 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.436 -15.206 4.402 1.00 0.00 H new ATOM 171 N MET A 16 -8.161 -11.266 2.265 1.00 0.00 N ATOM 172 CA MET A 16 -8.924 -10.028 2.091 1.00 0.00 C ATOM 173 C MET A 16 -8.996 -9.195 3.375 1.00 0.00 C ATOM 174 O MET A 16 -9.887 -8.356 3.527 1.00 0.00 O ATOM 175 CB MET A 16 -10.339 -10.348 1.590 1.00 0.00 C ATOM 176 CG MET A 16 -11.001 -9.212 0.823 1.00 0.00 C ATOM 177 SD MET A 16 -10.140 -8.817 -0.713 1.00 0.00 S ATOM 178 CE MET A 16 -11.408 -7.903 -1.584 1.00 0.00 C ATOM 0 H MET A 16 -7.329 -11.324 1.677 1.00 0.00 H new ATOM 0 HA MET A 16 -8.397 -9.428 1.349 1.00 0.00 H new ATOM 0 HB2 MET A 16 -10.295 -11.228 0.948 1.00 0.00 H new ATOM 0 HB3 MET A 16 -10.965 -10.608 2.444 1.00 0.00 H new ATOM 0 HG2 MET A 16 -12.032 -9.483 0.598 1.00 0.00 H new ATOM 0 HG3 MET A 16 -11.036 -8.324 1.454 1.00 0.00 H new ATOM 0 HE1 MET A 16 -11.121 -7.789 -2.629 1.00 0.00 H new ATOM 0 HE2 MET A 16 -12.352 -8.444 -1.524 1.00 0.00 H new ATOM 0 HE3 MET A 16 -11.524 -6.919 -1.130 1.00 0.00 H new ATOM 188 N LYS A 17 -8.062 -9.409 4.294 1.00 0.00 N ATOM 189 CA LYS A 17 -8.043 -8.642 5.536 1.00 0.00 C ATOM 190 C LYS A 17 -7.381 -7.285 5.291 1.00 0.00 C ATOM 191 O LYS A 17 -7.332 -6.817 4.155 1.00 0.00 O ATOM 192 CB LYS A 17 -7.318 -9.406 6.652 1.00 0.00 C ATOM 193 CG LYS A 17 -5.914 -9.859 6.288 1.00 0.00 C ATOM 194 CD LYS A 17 -5.004 -9.906 7.506 1.00 0.00 C ATOM 195 CE LYS A 17 -5.533 -10.848 8.578 1.00 0.00 C ATOM 196 NZ LYS A 17 -5.586 -12.258 8.115 1.00 0.00 N ATOM 0 H LYS A 17 -7.316 -10.099 4.206 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.071 -8.485 5.863 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.265 -8.771 7.536 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.911 -10.280 6.923 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.958 -10.846 5.828 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.494 -9.180 5.546 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.008 -10.226 7.202 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.903 -8.904 7.922 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.898 -10.782 9.462 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.531 -10.529 8.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.282 -12.888 8.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.559 -12.496 7.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.953 -12.379 7.299 1.00 0.00 H new ATOM 210 N PHE A 18 -6.882 -6.649 6.342 1.00 0.00 N ATOM 211 CA PHE A 18 -6.228 -5.354 6.198 1.00 0.00 C ATOM 212 C PHE A 18 -4.799 -5.399 6.726 1.00 0.00 C ATOM 213 O PHE A 18 -4.558 -5.780 7.877 1.00 0.00 O ATOM 214 CB PHE A 18 -7.018 -4.259 6.920 1.00 0.00 C ATOM 215 CG PHE A 18 -8.276 -3.842 6.209 1.00 0.00 C ATOM 216 CD1 PHE A 18 -9.466 -4.521 6.420 1.00 0.00 C ATOM 217 CD2 PHE A 18 -8.270 -2.765 5.337 1.00 0.00 C ATOM 218 CE1 PHE A 18 -10.624 -4.134 5.775 1.00 0.00 C ATOM 219 CE2 PHE A 18 -9.426 -2.374 4.688 1.00 0.00 C ATOM 220 CZ PHE A 18 -10.605 -3.059 4.909 1.00 0.00 C ATOM 0 H PHE A 18 -6.916 -7.005 7.297 1.00 0.00 H new ATOM 0 HA PHE A 18 -6.197 -5.119 5.134 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -7.277 -4.611 7.919 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.378 -3.386 7.046 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -9.488 -5.362 7.097 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.351 -2.225 5.162 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -11.544 -4.672 5.948 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -9.407 -1.534 4.009 1.00 0.00 H new ATOM 0 HZ PHE A 18 -11.510 -2.754 4.405 1.00 0.00 H new ATOM 230 N THR A 19 -3.853 -5.028 5.874 1.00 0.00 N ATOM 231 CA THR A 19 -2.449 -5.004 6.252 1.00 0.00 C ATOM 232 C THR A 19 -2.123 -3.697 6.962 1.00 0.00 C ATOM 233 O THR A 19 -1.425 -3.680 7.976 1.00 0.00 O ATOM 234 CB THR A 19 -1.538 -5.148 5.022 1.00 0.00 C ATOM 235 OG1 THR A 19 -2.306 -5.598 3.895 1.00 0.00 O ATOM 236 CG2 THR A 19 -0.406 -6.127 5.301 1.00 0.00 C ATOM 0 H THR A 19 -4.035 -4.739 4.913 1.00 0.00 H new ATOM 0 HA THR A 19 -2.270 -5.846 6.920 1.00 0.00 H new ATOM 0 HB THR A 19 -1.104 -4.173 4.798 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.830 -6.386 4.150 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.226 -6.214 4.417 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.190 -5.765 6.139 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.822 -7.104 5.547 1.00 0.00 H new ATOM 244 N TYR A 20 -2.646 -2.606 6.417 1.00 0.00 N ATOM 245 CA TYR A 20 -2.448 -1.276 6.972 1.00 0.00 C ATOM 246 C TYR A 20 -3.499 -0.341 6.397 1.00 0.00 C ATOM 247 O TYR A 20 -3.719 -0.321 5.185 1.00 0.00 O ATOM 248 CB TYR A 20 -1.042 -0.751 6.659 1.00 0.00 C ATOM 249 CG TYR A 20 -0.241 -0.362 7.885 1.00 0.00 C ATOM 250 CD1 TYR A 20 -0.653 -0.731 9.160 1.00 0.00 C ATOM 251 CD2 TYR A 20 0.932 0.372 7.764 1.00 0.00 C ATOM 252 CE1 TYR A 20 0.079 -0.377 10.279 1.00 0.00 C ATOM 253 CE2 TYR A 20 1.671 0.729 8.877 1.00 0.00 C ATOM 254 CZ TYR A 20 1.242 0.351 10.132 1.00 0.00 C ATOM 255 OH TYR A 20 1.975 0.708 11.245 1.00 0.00 O ATOM 0 H TYR A 20 -3.221 -2.620 5.575 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.549 -1.325 8.056 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -0.494 -1.516 6.108 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.127 0.116 6.003 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -1.561 -1.304 9.279 1.00 0.00 H new ATOM 0 HD2 TYR A 20 1.273 0.669 6.783 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.258 -0.669 11.263 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.580 1.301 8.764 1.00 0.00 H new ATOM 0 HH TYR A 20 2.041 1.685 11.294 1.00 0.00 H new ATOM 265 N CYS A 21 -4.161 0.408 7.261 1.00 0.00 N ATOM 266 CA CYS A 21 -5.199 1.327 6.825 1.00 0.00 C ATOM 267 C CYS A 21 -4.767 2.771 7.037 1.00 0.00 C ATOM 268 O CYS A 21 -4.086 3.087 8.015 1.00 0.00 O ATOM 269 CB CYS A 21 -6.493 1.056 7.593 1.00 0.00 C ATOM 270 SG CYS A 21 -6.765 -0.689 7.981 1.00 0.00 S ATOM 0 H CYS A 21 -3.999 0.398 8.268 1.00 0.00 H new ATOM 0 HA CYS A 21 -5.371 1.170 5.760 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.479 1.626 8.522 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.335 1.423 7.007 1.00 0.00 H new ATOM 0 HG CYS A 21 -6.759 -0.853 9.271 1.00 0.00 H new ATOM 276 N ASP A 22 -5.152 3.635 6.106 1.00 0.00 N ATOM 277 CA ASP A 22 -4.831 5.055 6.200 1.00 0.00 C ATOM 278 C ASP A 22 -5.662 5.684 7.314 1.00 0.00 C ATOM 279 O ASP A 22 -6.799 5.279 7.545 1.00 0.00 O ATOM 280 CB ASP A 22 -5.099 5.762 4.863 1.00 0.00 C ATOM 281 CG ASP A 22 -4.678 7.223 4.866 1.00 0.00 C ATOM 282 OD1 ASP A 22 -5.441 8.064 5.384 1.00 0.00 O ATOM 283 OD2 ASP A 22 -3.585 7.541 4.347 1.00 0.00 O ATOM 0 H ASP A 22 -5.687 3.378 5.277 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.772 5.169 6.431 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -4.567 5.238 4.069 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.162 5.697 4.631 1.00 0.00 H new ATOM 288 N ASP A 23 -5.095 6.676 7.985 1.00 0.00 N ATOM 289 CA ASP A 23 -5.752 7.358 9.105 1.00 0.00 C ATOM 290 C ASP A 23 -7.121 7.927 8.729 1.00 0.00 C ATOM 291 O ASP A 23 -7.976 8.121 9.593 1.00 0.00 O ATOM 292 CB ASP A 23 -4.869 8.498 9.625 1.00 0.00 C ATOM 293 CG ASP A 23 -3.389 8.232 9.444 1.00 0.00 C ATOM 294 OD1 ASP A 23 -2.898 8.337 8.298 1.00 0.00 O ATOM 295 OD2 ASP A 23 -2.708 7.920 10.441 1.00 0.00 O ATOM 0 H ASP A 23 -4.165 7.036 7.772 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.901 6.606 9.880 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.133 9.420 9.106 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.077 8.657 10.683 1.00 0.00 H new ATOM 300 N ARG A 24 -7.333 8.188 7.446 1.00 0.00 N ATOM 301 CA ARG A 24 -8.594 8.755 6.976 1.00 0.00 C ATOM 302 C ARG A 24 -9.766 7.776 7.073 1.00 0.00 C ATOM 303 O ARG A 24 -10.921 8.185 6.944 1.00 0.00 O ATOM 304 CB ARG A 24 -8.446 9.239 5.538 1.00 0.00 C ATOM 305 CG ARG A 24 -7.862 10.634 5.437 1.00 0.00 C ATOM 306 CD ARG A 24 -7.255 10.881 4.073 1.00 0.00 C ATOM 307 NE ARG A 24 -5.971 10.208 3.923 1.00 0.00 N ATOM 308 CZ ARG A 24 -4.949 10.714 3.245 1.00 0.00 C ATOM 309 NH1 ARG A 24 -5.073 11.880 2.632 1.00 0.00 N ATOM 310 NH2 ARG A 24 -3.800 10.054 3.175 1.00 0.00 N ATOM 0 H ARG A 24 -6.648 8.017 6.710 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.824 9.593 7.634 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.809 8.544 4.991 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.422 9.224 5.054 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.642 11.371 5.629 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.101 10.768 6.205 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.941 10.532 3.301 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.124 11.952 3.922 1.00 0.00 H new ATOM 0 HE ARG A 24 -5.851 9.296 4.364 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.955 12.390 2.681 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.287 12.268 2.111 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.700 9.154 3.644 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.017 10.447 2.653 1.00 0.00 H new ATOM 324 N ILE A 25 -9.485 6.498 7.309 1.00 0.00 N ATOM 325 CA ILE A 25 -10.549 5.499 7.412 1.00 0.00 C ATOM 326 C ILE A 25 -11.495 5.823 8.571 1.00 0.00 C ATOM 327 O ILE A 25 -12.702 5.579 8.488 1.00 0.00 O ATOM 328 CB ILE A 25 -9.987 4.069 7.584 1.00 0.00 C ATOM 329 CG1 ILE A 25 -11.121 3.039 7.580 1.00 0.00 C ATOM 330 CG2 ILE A 25 -9.174 3.952 8.861 1.00 0.00 C ATOM 331 CD1 ILE A 25 -10.657 1.618 7.819 1.00 0.00 C ATOM 0 H ILE A 25 -8.541 6.130 7.432 1.00 0.00 H new ATOM 0 HA ILE A 25 -11.104 5.535 6.475 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.328 3.865 6.740 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.846 3.308 8.348 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.638 3.086 6.622 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -8.791 2.936 8.957 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.340 4.653 8.827 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -9.807 4.183 9.718 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -11.516 0.947 7.802 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -9.955 1.328 7.037 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -10.166 1.554 8.790 1.00 0.00 H new ATOM 343 N THR A 26 -10.948 6.410 9.630 1.00 0.00 N ATOM 344 CA THR A 26 -11.730 6.768 10.805 1.00 0.00 C ATOM 345 C THR A 26 -12.677 7.929 10.512 1.00 0.00 C ATOM 346 O THR A 26 -13.623 8.177 11.260 1.00 0.00 O ATOM 347 CB THR A 26 -10.805 7.150 11.974 1.00 0.00 C ATOM 348 OG1 THR A 26 -9.487 6.636 11.732 1.00 0.00 O ATOM 349 CG2 THR A 26 -11.338 6.600 13.291 1.00 0.00 C ATOM 0 H THR A 26 -9.959 6.649 9.697 1.00 0.00 H new ATOM 0 HA THR A 26 -12.323 5.895 11.079 1.00 0.00 H new ATOM 0 HB THR A 26 -10.768 8.237 12.046 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.898 6.881 12.476 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.667 6.883 14.102 1.00 0.00 H new ATOM 0 HG22 THR A 26 -12.330 7.009 13.481 1.00 0.00 H new ATOM 0 HG23 THR A 26 -11.399 5.513 13.233 1.00 0.00 H new ATOM 357 N GLU A 27 -12.419 8.636 9.420 1.00 0.00 N ATOM 358 CA GLU A 27 -13.246 9.768 9.030 1.00 0.00 C ATOM 359 C GLU A 27 -14.241 9.367 7.946 1.00 0.00 C ATOM 360 O GLU A 27 -15.433 9.662 8.041 1.00 0.00 O ATOM 361 CB GLU A 27 -12.374 10.910 8.509 1.00 0.00 C ATOM 362 CG GLU A 27 -11.340 11.409 9.501 1.00 0.00 C ATOM 363 CD GLU A 27 -10.587 12.605 8.968 1.00 0.00 C ATOM 364 OE1 GLU A 27 -11.094 13.737 9.102 1.00 0.00 O ATOM 365 OE2 GLU A 27 -9.499 12.421 8.388 1.00 0.00 O ATOM 0 H GLU A 27 -11.642 8.444 8.788 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.794 10.099 9.912 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.863 10.578 7.605 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.018 11.742 8.224 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.832 11.676 10.436 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.637 10.608 9.728 1.00 0.00 H new ATOM 372 N LEU A 28 -13.732 8.690 6.924 1.00 0.00 N ATOM 373 CA LEU A 28 -14.542 8.257 5.791 1.00 0.00 C ATOM 374 C LEU A 28 -15.526 7.162 6.184 1.00 0.00 C ATOM 375 O LEU A 28 -16.719 7.256 5.898 1.00 0.00 O ATOM 376 CB LEU A 28 -13.635 7.759 4.664 1.00 0.00 C ATOM 377 CG LEU A 28 -12.478 8.692 4.306 1.00 0.00 C ATOM 378 CD1 LEU A 28 -11.644 8.098 3.185 1.00 0.00 C ATOM 379 CD2 LEU A 28 -13.003 10.061 3.910 1.00 0.00 C ATOM 0 H LEU A 28 -12.749 8.426 6.857 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.119 9.116 5.448 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.226 6.790 4.949 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.242 7.599 3.773 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.843 8.807 5.184 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.825 8.775 2.943 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.239 7.137 3.503 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.269 7.954 2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.166 10.713 3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.659 9.963 3.045 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.561 10.491 4.742 1.00 0.00 H new ATOM 391 N ILE A 29 -15.024 6.124 6.835 1.00 0.00 N ATOM 392 CA ILE A 29 -15.872 5.017 7.251 1.00 0.00 C ATOM 393 C ILE A 29 -16.258 5.161 8.719 1.00 0.00 C ATOM 394 O ILE A 29 -17.432 5.055 9.075 1.00 0.00 O ATOM 395 CB ILE A 29 -15.178 3.658 7.025 1.00 0.00 C ATOM 396 CG1 ILE A 29 -14.601 3.586 5.607 1.00 0.00 C ATOM 397 CG2 ILE A 29 -16.155 2.515 7.262 1.00 0.00 C ATOM 398 CD1 ILE A 29 -13.868 2.295 5.310 1.00 0.00 C ATOM 0 H ILE A 29 -14.040 6.025 7.086 1.00 0.00 H new ATOM 0 HA ILE A 29 -16.773 5.047 6.638 1.00 0.00 H new ATOM 0 HB ILE A 29 -14.359 3.563 7.738 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -15.412 3.706 4.888 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.918 4.423 5.460 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -15.649 1.564 7.098 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -16.524 2.558 8.287 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -16.993 2.604 6.571 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -13.489 2.319 4.288 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -13.035 2.182 6.004 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -14.552 1.454 5.424 1.00 0.00 H new ATOM 410 N GLY A 30 -15.267 5.408 9.566 1.00 0.00 N ATOM 411 CA GLY A 30 -15.527 5.570 10.982 1.00 0.00 C ATOM 412 C GLY A 30 -14.780 4.564 11.827 1.00 0.00 C ATOM 413 O GLY A 30 -14.698 4.705 13.046 1.00 0.00 O ATOM 0 H GLY A 30 -14.287 5.499 9.297 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -15.244 6.577 11.287 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -16.597 5.470 11.165 1.00 0.00 H new ATOM 417 N TYR A 31 -14.231 3.549 11.178 1.00 0.00 N ATOM 418 CA TYR A 31 -13.490 2.508 11.874 1.00 0.00 C ATOM 419 C TYR A 31 -12.028 2.898 12.022 1.00 0.00 C ATOM 420 O TYR A 31 -11.465 3.560 11.152 1.00 0.00 O ATOM 421 CB TYR A 31 -13.596 1.180 11.121 1.00 0.00 C ATOM 422 CG TYR A 31 -14.963 0.541 11.191 1.00 0.00 C ATOM 423 CD1 TYR A 31 -15.431 -0.012 12.374 1.00 0.00 C ATOM 424 CD2 TYR A 31 -15.786 0.493 10.074 1.00 0.00 C ATOM 425 CE1 TYR A 31 -16.679 -0.597 12.441 1.00 0.00 C ATOM 426 CE2 TYR A 31 -17.038 -0.091 10.133 1.00 0.00 C ATOM 427 CZ TYR A 31 -17.479 -0.635 11.319 1.00 0.00 C ATOM 428 OH TYR A 31 -18.723 -1.220 11.387 1.00 0.00 O ATOM 0 H TYR A 31 -14.285 3.424 10.167 1.00 0.00 H new ATOM 0 HA TYR A 31 -13.925 2.390 12.866 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -13.337 1.345 10.075 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -12.860 0.485 11.526 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -14.809 0.016 13.256 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -15.442 0.919 9.143 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -17.028 -1.024 13.370 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -17.666 -0.120 9.255 1.00 0.00 H new ATOM 0 HH TYR A 31 -19.160 -1.163 10.511 1.00 0.00 H new ATOM 438 N HIS A 32 -11.423 2.485 13.124 1.00 0.00 N ATOM 439 CA HIS A 32 -10.022 2.784 13.388 1.00 0.00 C ATOM 440 C HIS A 32 -9.131 1.876 12.542 1.00 0.00 C ATOM 441 O HIS A 32 -9.402 0.682 12.419 1.00 0.00 O ATOM 442 CB HIS A 32 -9.715 2.604 14.879 1.00 0.00 C ATOM 443 CG HIS A 32 -8.604 3.479 15.376 1.00 0.00 C ATOM 444 ND1 HIS A 32 -7.264 3.300 15.367 1.00 0.00 N flip ATOM 445 CD2 HIS A 32 -8.817 4.714 15.950 1.00 0.00 C flip ATOM 446 CE1 HIS A 32 -6.698 4.415 15.925 1.00 0.00 C flip ATOM 447 NE2 HIS A 32 -7.655 5.255 16.268 1.00 0.00 N flip ATOM 0 H HIS A 32 -11.881 1.939 13.854 1.00 0.00 H new ATOM 0 HA HIS A 32 -9.820 3.821 13.119 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.616 2.815 15.454 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -9.455 1.562 15.064 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -9.783 5.168 16.114 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -5.639 4.580 16.062 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -7.521 6.167 16.704 1.00 0.00 H new ATOM 456 N PRO A 33 -8.060 2.432 11.947 1.00 0.00 N ATOM 457 CA PRO A 33 -7.135 1.675 11.091 1.00 0.00 C ATOM 458 C PRO A 33 -6.626 0.382 11.725 1.00 0.00 C ATOM 459 O PRO A 33 -6.690 -0.684 11.110 1.00 0.00 O ATOM 460 CB PRO A 33 -5.973 2.644 10.878 1.00 0.00 C ATOM 461 CG PRO A 33 -6.568 3.998 11.036 1.00 0.00 C ATOM 462 CD PRO A 33 -7.675 3.855 12.045 1.00 0.00 C ATOM 0 HA PRO A 33 -7.631 1.352 10.176 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.179 2.474 11.605 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.531 2.520 9.889 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.821 4.714 11.377 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.953 4.367 10.085 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -7.336 4.109 13.049 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.513 4.513 11.815 1.00 0.00 H new ATOM 470 N GLU A 34 -6.134 0.478 12.955 1.00 0.00 N ATOM 471 CA GLU A 34 -5.594 -0.684 13.661 1.00 0.00 C ATOM 472 C GLU A 34 -6.689 -1.686 14.031 1.00 0.00 C ATOM 473 O GLU A 34 -6.418 -2.870 14.225 1.00 0.00 O ATOM 474 CB GLU A 34 -4.853 -0.248 14.928 1.00 0.00 C ATOM 475 CG GLU A 34 -4.214 1.129 14.835 1.00 0.00 C ATOM 476 CD GLU A 34 -3.097 1.199 13.812 1.00 0.00 C ATOM 477 OE1 GLU A 34 -2.100 0.461 13.961 1.00 0.00 O ATOM 478 OE2 GLU A 34 -3.211 2.002 12.863 1.00 0.00 O ATOM 0 H GLU A 34 -6.097 1.348 13.486 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.898 -1.175 12.981 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.552 -0.256 15.765 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.078 -0.981 15.153 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.979 1.862 14.579 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.821 1.407 15.813 1.00 0.00 H new ATOM 485 N GLU A 35 -7.923 -1.207 14.112 1.00 0.00 N ATOM 486 CA GLU A 35 -9.060 -2.050 14.469 1.00 0.00 C ATOM 487 C GLU A 35 -9.414 -3.017 13.345 1.00 0.00 C ATOM 488 O GLU A 35 -10.074 -4.029 13.573 1.00 0.00 O ATOM 489 CB GLU A 35 -10.276 -1.180 14.800 1.00 0.00 C ATOM 490 CG GLU A 35 -10.445 -0.909 16.282 1.00 0.00 C ATOM 491 CD GLU A 35 -11.250 -1.986 16.977 1.00 0.00 C ATOM 492 OE1 GLU A 35 -10.859 -3.169 16.909 1.00 0.00 O ATOM 493 OE2 GLU A 35 -12.279 -1.653 17.602 1.00 0.00 O ATOM 0 H GLU A 35 -8.165 -0.232 13.934 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.777 -2.635 15.344 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.186 -0.230 14.274 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.175 -1.669 14.424 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.463 -0.834 16.749 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.937 0.054 16.419 1.00 0.00 H new ATOM 500 N LEU A 36 -8.975 -2.705 12.136 1.00 0.00 N ATOM 501 CA LEU A 36 -9.268 -3.547 10.984 1.00 0.00 C ATOM 502 C LEU A 36 -8.071 -4.409 10.604 1.00 0.00 C ATOM 503 O LEU A 36 -8.142 -5.206 9.668 1.00 0.00 O ATOM 504 CB LEU A 36 -9.687 -2.683 9.794 1.00 0.00 C ATOM 505 CG LEU A 36 -11.199 -2.543 9.592 1.00 0.00 C ATOM 506 CD1 LEU A 36 -11.849 -1.881 10.797 1.00 0.00 C ATOM 507 CD2 LEU A 36 -11.488 -1.748 8.331 1.00 0.00 C ATOM 0 H LEU A 36 -8.416 -1.878 11.926 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.088 -4.211 11.257 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.259 -1.688 9.919 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.253 -3.105 8.888 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.624 -3.541 9.484 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -12.922 -1.793 10.629 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.669 -2.486 11.686 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.422 -0.889 10.941 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.566 -1.655 8.198 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -11.046 -0.755 8.418 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.059 -2.262 7.471 1.00 0.00 H new ATOM 519 N LEU A 37 -6.983 -4.269 11.344 1.00 0.00 N ATOM 520 CA LEU A 37 -5.775 -5.030 11.065 1.00 0.00 C ATOM 521 C LEU A 37 -5.904 -6.470 11.554 1.00 0.00 C ATOM 522 O LEU A 37 -5.385 -6.826 12.609 1.00 0.00 O ATOM 523 CB LEU A 37 -4.556 -4.366 11.714 1.00 0.00 C ATOM 524 CG LEU A 37 -4.283 -2.926 11.277 1.00 0.00 C ATOM 525 CD1 LEU A 37 -3.025 -2.397 11.944 1.00 0.00 C ATOM 526 CD2 LEU A 37 -4.160 -2.838 9.766 1.00 0.00 C ATOM 0 H LEU A 37 -6.911 -3.637 12.141 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.637 -5.045 9.984 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.689 -4.380 12.796 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.675 -4.968 11.493 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.126 -2.309 11.589 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.846 -1.371 11.622 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.150 -2.421 13.027 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.175 -3.019 11.663 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.966 -1.805 9.476 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.337 -3.470 9.431 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.088 -3.176 9.305 1.00 0.00 H new ATOM 538 N GLY A 38 -6.609 -7.293 10.792 1.00 0.00 N ATOM 539 CA GLY A 38 -6.774 -8.682 11.169 1.00 0.00 C ATOM 540 C GLY A 38 -8.150 -9.209 10.835 1.00 0.00 C ATOM 541 O GLY A 38 -8.281 -10.261 10.203 1.00 0.00 O ATOM 0 H GLY A 38 -7.069 -7.025 9.922 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.023 -9.286 10.660 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.597 -8.789 12.239 1.00 0.00 H new ATOM 545 N ARG A 39 -9.174 -8.473 11.253 1.00 0.00 N ATOM 546 CA ARG A 39 -10.557 -8.861 11.003 1.00 0.00 C ATOM 547 C ARG A 39 -10.825 -8.974 9.506 1.00 0.00 C ATOM 548 O ARG A 39 -10.108 -8.391 8.685 1.00 0.00 O ATOM 549 CB ARG A 39 -11.528 -7.856 11.638 1.00 0.00 C ATOM 550 CG ARG A 39 -11.676 -6.561 10.855 1.00 0.00 C ATOM 551 CD ARG A 39 -12.823 -5.716 11.386 1.00 0.00 C ATOM 552 NE ARG A 39 -12.460 -4.999 12.605 1.00 0.00 N ATOM 553 CZ ARG A 39 -13.342 -4.485 13.461 1.00 0.00 C ATOM 554 NH1 ARG A 39 -14.642 -4.664 13.273 1.00 0.00 N ATOM 555 NH2 ARG A 39 -12.916 -3.815 14.523 1.00 0.00 N ATOM 0 H ARG A 39 -9.071 -7.599 11.769 1.00 0.00 H new ATOM 0 HA ARG A 39 -10.719 -9.837 11.460 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -12.508 -8.324 11.735 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -11.185 -7.622 12.646 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.748 -5.993 10.911 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -11.847 -6.788 9.803 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -13.129 -5.000 10.623 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -13.682 -6.356 11.585 1.00 0.00 H new ATOM 0 HE ARG A 39 -11.468 -4.884 12.814 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -14.972 -5.198 12.469 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -15.312 -4.268 13.932 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.916 -3.694 14.682 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -13.589 -3.420 15.180 1.00 0.00 H new ATOM 569 N SER A 40 -11.859 -9.720 9.158 1.00 0.00 N ATOM 570 CA SER A 40 -12.216 -9.922 7.771 1.00 0.00 C ATOM 571 C SER A 40 -13.053 -8.760 7.255 1.00 0.00 C ATOM 572 O SER A 40 -13.959 -8.280 7.935 1.00 0.00 O ATOM 573 CB SER A 40 -12.971 -11.241 7.622 1.00 0.00 C ATOM 574 OG SER A 40 -12.208 -12.313 8.155 1.00 0.00 O ATOM 0 H SER A 40 -12.467 -10.197 9.824 1.00 0.00 H new ATOM 0 HA SER A 40 -11.305 -9.967 7.174 1.00 0.00 H new ATOM 0 HB2 SER A 40 -13.930 -11.178 8.136 1.00 0.00 H new ATOM 0 HB3 SER A 40 -13.185 -11.427 6.570 1.00 0.00 H new ATOM 0 HG SER A 40 -12.706 -13.151 8.054 1.00 0.00 H new ATOM 580 N ALA A 41 -12.744 -8.309 6.049 1.00 0.00 N ATOM 581 CA ALA A 41 -13.467 -7.205 5.442 1.00 0.00 C ATOM 582 C ALA A 41 -14.902 -7.608 5.130 1.00 0.00 C ATOM 583 O ALA A 41 -15.805 -6.776 5.133 1.00 0.00 O ATOM 584 CB ALA A 41 -12.760 -6.739 4.181 1.00 0.00 C ATOM 0 H ALA A 41 -11.996 -8.692 5.471 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.491 -6.379 6.152 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.314 -5.911 3.738 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.752 -6.408 4.430 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.706 -7.562 3.469 1.00 0.00 H new ATOM 590 N TYR A 42 -15.106 -8.900 4.888 1.00 0.00 N ATOM 591 CA TYR A 42 -16.430 -9.433 4.569 1.00 0.00 C ATOM 592 C TYR A 42 -17.389 -9.335 5.757 1.00 0.00 C ATOM 593 O TYR A 42 -18.582 -9.602 5.618 1.00 0.00 O ATOM 594 CB TYR A 42 -16.325 -10.888 4.102 1.00 0.00 C ATOM 595 CG TYR A 42 -16.124 -11.036 2.610 1.00 0.00 C ATOM 596 CD1 TYR A 42 -14.928 -10.665 2.008 1.00 0.00 C ATOM 597 CD2 TYR A 42 -17.131 -11.548 1.804 1.00 0.00 C ATOM 598 CE1 TYR A 42 -14.743 -10.797 0.645 1.00 0.00 C ATOM 599 CE2 TYR A 42 -16.954 -11.685 0.441 1.00 0.00 C ATOM 600 CZ TYR A 42 -15.758 -11.308 -0.134 1.00 0.00 C ATOM 601 OH TYR A 42 -15.582 -11.441 -1.492 1.00 0.00 O ATOM 0 H TYR A 42 -14.367 -9.602 4.907 1.00 0.00 H new ATOM 0 HA TYR A 42 -16.836 -8.823 3.762 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -15.495 -11.367 4.621 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -17.231 -11.419 4.392 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -14.129 -10.267 2.616 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -18.069 -11.844 2.250 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -13.808 -10.501 0.193 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -17.748 -12.085 -0.172 1.00 0.00 H new ATOM 0 HH TYR A 42 -16.456 -11.487 -1.932 1.00 0.00 H new ATOM 611 N GLU A 43 -16.869 -8.954 6.918 1.00 0.00 N ATOM 612 CA GLU A 43 -17.695 -8.804 8.113 1.00 0.00 C ATOM 613 C GLU A 43 -18.562 -7.554 7.996 1.00 0.00 C ATOM 614 O GLU A 43 -19.545 -7.394 8.717 1.00 0.00 O ATOM 615 CB GLU A 43 -16.824 -8.707 9.369 1.00 0.00 C ATOM 616 CG GLU A 43 -16.027 -9.966 9.674 1.00 0.00 C ATOM 617 CD GLU A 43 -15.103 -9.784 10.862 1.00 0.00 C ATOM 618 OE1 GLU A 43 -15.475 -9.048 11.798 1.00 0.00 O ATOM 619 OE2 GLU A 43 -14.003 -10.382 10.870 1.00 0.00 O ATOM 0 H GLU A 43 -15.881 -8.743 7.059 1.00 0.00 H new ATOM 0 HA GLU A 43 -18.333 -9.683 8.197 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -16.133 -7.872 9.255 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -17.462 -8.478 10.223 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -16.713 -10.789 9.872 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -15.440 -10.244 8.798 1.00 0.00 H new ATOM 626 N PHE A 44 -18.179 -6.667 7.088 1.00 0.00 N ATOM 627 CA PHE A 44 -18.905 -5.422 6.862 1.00 0.00 C ATOM 628 C PHE A 44 -18.732 -4.970 5.415 1.00 0.00 C ATOM 629 O PHE A 44 -18.845 -3.785 5.099 1.00 0.00 O ATOM 630 CB PHE A 44 -18.397 -4.336 7.822 1.00 0.00 C ATOM 631 CG PHE A 44 -16.902 -4.150 7.794 1.00 0.00 C ATOM 632 CD1 PHE A 44 -16.077 -4.937 8.583 1.00 0.00 C ATOM 633 CD2 PHE A 44 -16.322 -3.193 6.974 1.00 0.00 C ATOM 634 CE1 PHE A 44 -14.707 -4.774 8.555 1.00 0.00 C ATOM 635 CE2 PHE A 44 -14.951 -3.028 6.943 1.00 0.00 C ATOM 636 CZ PHE A 44 -14.144 -3.821 7.734 1.00 0.00 C ATOM 0 H PHE A 44 -17.362 -6.787 6.490 1.00 0.00 H new ATOM 0 HA PHE A 44 -19.965 -5.591 7.052 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -18.876 -3.390 7.571 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -18.703 -4.589 8.837 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -16.512 -5.687 9.227 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -16.949 -2.570 6.353 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -14.076 -5.393 9.176 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -14.511 -2.280 6.301 1.00 0.00 H new ATOM 0 HZ PHE A 44 -13.072 -3.695 7.709 1.00 0.00 H new ATOM 646 N TYR A 45 -18.486 -5.927 4.531 1.00 0.00 N ATOM 647 CA TYR A 45 -18.270 -5.628 3.125 1.00 0.00 C ATOM 648 C TYR A 45 -19.582 -5.391 2.390 1.00 0.00 C ATOM 649 O TYR A 45 -19.946 -6.144 1.485 1.00 0.00 O ATOM 650 CB TYR A 45 -17.480 -6.750 2.448 1.00 0.00 C ATOM 651 CG TYR A 45 -16.256 -6.261 1.704 1.00 0.00 C ATOM 652 CD1 TYR A 45 -15.868 -4.926 1.767 1.00 0.00 C ATOM 653 CD2 TYR A 45 -15.491 -7.131 0.939 1.00 0.00 C ATOM 654 CE1 TYR A 45 -14.753 -4.476 1.089 1.00 0.00 C ATOM 655 CE2 TYR A 45 -14.374 -6.687 0.259 1.00 0.00 C ATOM 656 CZ TYR A 45 -14.010 -5.359 0.336 1.00 0.00 C ATOM 657 OH TYR A 45 -12.900 -4.911 -0.344 1.00 0.00 O ATOM 0 H TYR A 45 -18.431 -6.918 4.765 1.00 0.00 H new ATOM 0 HA TYR A 45 -17.689 -4.707 3.076 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -17.172 -7.474 3.203 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -18.134 -7.275 1.751 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -16.448 -4.231 2.356 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -15.774 -8.171 0.875 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -14.464 -3.437 1.148 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -13.788 -7.377 -0.330 1.00 0.00 H new ATOM 0 HH TYR A 45 -13.122 -4.793 -1.291 1.00 0.00 H new ATOM 667 N HIS A 46 -20.275 -4.323 2.790 1.00 0.00 N ATOM 668 CA HIS A 46 -21.550 -3.920 2.186 1.00 0.00 C ATOM 669 C HIS A 46 -22.644 -4.930 2.515 1.00 0.00 C ATOM 670 O HIS A 46 -22.363 -6.055 2.921 1.00 0.00 O ATOM 671 CB HIS A 46 -21.435 -3.759 0.657 1.00 0.00 C ATOM 672 CG HIS A 46 -20.126 -3.196 0.182 1.00 0.00 C ATOM 673 ND1 HIS A 46 -19.485 -3.644 -0.956 1.00 0.00 N ATOM 674 CD2 HIS A 46 -19.325 -2.237 0.706 1.00 0.00 C ATOM 675 CE1 HIS A 46 -18.350 -2.990 -1.106 1.00 0.00 C ATOM 676 NE2 HIS A 46 -18.229 -2.132 -0.111 1.00 0.00 N ATOM 0 H HIS A 46 -19.968 -3.710 3.545 1.00 0.00 H new ATOM 0 HA HIS A 46 -21.813 -2.951 2.610 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -21.587 -4.732 0.190 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -22.240 -3.111 0.312 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -19.835 -4.368 -1.583 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -19.515 -1.662 1.601 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -17.640 -3.132 -1.907 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -17.446 -1.493 0.028 1.00 0.00 H new ATOM 685 N ALA A 47 -23.892 -4.527 2.345 1.00 0.00 N ATOM 686 CA ALA A 47 -25.012 -5.412 2.631 1.00 0.00 C ATOM 687 C ALA A 47 -25.542 -6.054 1.359 1.00 0.00 C ATOM 688 O ALA A 47 -25.837 -7.247 1.328 1.00 0.00 O ATOM 689 CB ALA A 47 -26.120 -4.656 3.338 1.00 0.00 C ATOM 0 H ALA A 47 -24.156 -3.599 2.013 1.00 0.00 H new ATOM 0 HA ALA A 47 -24.653 -6.204 3.288 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -26.949 -5.333 3.544 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -25.742 -4.250 4.276 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -26.467 -3.841 2.703 1.00 0.00 H new ATOM 695 N LEU A 48 -25.665 -5.258 0.312 1.00 0.00 N ATOM 696 CA LEU A 48 -26.162 -5.756 -0.960 1.00 0.00 C ATOM 697 C LEU A 48 -25.035 -5.826 -1.979 1.00 0.00 C ATOM 698 O LEU A 48 -25.014 -6.706 -2.836 1.00 0.00 O ATOM 699 CB LEU A 48 -27.292 -4.865 -1.487 1.00 0.00 C ATOM 700 CG LEU A 48 -26.911 -3.402 -1.751 1.00 0.00 C ATOM 701 CD1 LEU A 48 -27.747 -2.828 -2.881 1.00 0.00 C ATOM 702 CD2 LEU A 48 -27.082 -2.564 -0.491 1.00 0.00 C ATOM 0 H LEU A 48 -25.428 -4.266 0.316 1.00 0.00 H new ATOM 0 HA LEU A 48 -26.557 -6.759 -0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -27.670 -5.297 -2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -28.112 -4.885 -0.769 1.00 0.00 H new ATOM 0 HG LEU A 48 -25.862 -3.373 -2.045 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -27.462 -1.790 -3.053 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -27.577 -3.406 -3.789 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -28.802 -2.875 -2.613 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -26.806 -1.531 -0.701 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -28.122 -2.603 -0.166 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -26.440 -2.957 0.297 1.00 0.00 H new ATOM 714 N ASP A 49 -24.084 -4.909 -1.854 1.00 0.00 N ATOM 715 CA ASP A 49 -22.941 -4.829 -2.760 1.00 0.00 C ATOM 716 C ASP A 49 -21.830 -5.780 -2.326 1.00 0.00 C ATOM 717 O ASP A 49 -20.650 -5.539 -2.594 1.00 0.00 O ATOM 718 CB ASP A 49 -22.392 -3.392 -2.807 1.00 0.00 C ATOM 719 CG ASP A 49 -23.381 -2.360 -2.298 1.00 0.00 C ATOM 720 OD1 ASP A 49 -23.715 -2.399 -1.092 1.00 0.00 O ATOM 721 OD2 ASP A 49 -23.821 -1.508 -3.102 1.00 0.00 O ATOM 0 H ASP A 49 -24.082 -4.199 -1.122 1.00 0.00 H new ATOM 0 HA ASP A 49 -23.285 -5.119 -3.753 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -21.481 -3.338 -2.211 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -22.117 -3.148 -3.833 1.00 0.00 H new ATOM 726 N SER A 50 -22.202 -6.847 -1.641 1.00 0.00 N ATOM 727 CA SER A 50 -21.237 -7.829 -1.183 1.00 0.00 C ATOM 728 C SER A 50 -20.754 -8.677 -2.355 1.00 0.00 C ATOM 729 O SER A 50 -19.589 -9.068 -2.417 1.00 0.00 O ATOM 730 CB SER A 50 -21.866 -8.709 -0.108 1.00 0.00 C ATOM 731 OG SER A 50 -22.603 -7.923 0.814 1.00 0.00 O ATOM 0 H SER A 50 -23.168 -7.055 -1.389 1.00 0.00 H new ATOM 0 HA SER A 50 -20.377 -7.314 -0.755 1.00 0.00 H new ATOM 0 HB2 SER A 50 -22.522 -9.446 -0.572 1.00 0.00 H new ATOM 0 HB3 SER A 50 -21.088 -9.262 0.418 1.00 0.00 H new ATOM 0 HG SER A 50 -21.984 -7.420 1.384 1.00 0.00 H new ATOM 737 N GLU A 51 -21.651 -8.927 -3.299 1.00 0.00 N ATOM 738 CA GLU A 51 -21.323 -9.724 -4.469 1.00 0.00 C ATOM 739 C GLU A 51 -20.447 -8.927 -5.420 1.00 0.00 C ATOM 740 O GLU A 51 -19.541 -9.473 -6.047 1.00 0.00 O ATOM 741 CB GLU A 51 -22.594 -10.172 -5.180 1.00 0.00 C ATOM 742 CG GLU A 51 -23.418 -11.160 -4.377 1.00 0.00 C ATOM 743 CD GLU A 51 -23.904 -12.316 -5.214 1.00 0.00 C ATOM 744 OE1 GLU A 51 -23.133 -12.802 -6.070 1.00 0.00 O ATOM 745 OE2 GLU A 51 -25.060 -12.748 -5.021 1.00 0.00 O ATOM 0 H GLU A 51 -22.613 -8.588 -3.276 1.00 0.00 H new ATOM 0 HA GLU A 51 -20.775 -10.608 -4.143 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -23.205 -9.297 -5.402 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -22.327 -10.625 -6.135 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -22.819 -11.540 -3.549 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -24.274 -10.645 -3.941 1.00 0.00 H new ATOM 752 N ASN A 52 -20.729 -7.633 -5.508 1.00 0.00 N ATOM 753 CA ASN A 52 -19.976 -6.718 -6.361 1.00 0.00 C ATOM 754 C ASN A 52 -18.481 -6.816 -6.078 1.00 0.00 C ATOM 755 O ASN A 52 -17.678 -7.026 -6.987 1.00 0.00 O ATOM 756 CB ASN A 52 -20.457 -5.278 -6.132 1.00 0.00 C ATOM 757 CG ASN A 52 -19.530 -4.237 -6.741 1.00 0.00 C ATOM 758 OD1 ASN A 52 -18.565 -3.802 -6.109 1.00 0.00 O ATOM 759 ND2 ASN A 52 -19.825 -3.822 -7.962 1.00 0.00 N ATOM 0 H ASN A 52 -21.486 -7.187 -4.990 1.00 0.00 H new ATOM 0 HA ASN A 52 -20.147 -6.997 -7.401 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -21.454 -5.162 -6.557 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -20.544 -5.096 -5.061 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -19.244 -3.116 -8.415 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -20.633 -4.208 -8.451 1.00 0.00 H new ATOM 766 N MET A 53 -18.116 -6.696 -4.807 1.00 0.00 N ATOM 767 CA MET A 53 -16.716 -6.759 -4.410 1.00 0.00 C ATOM 768 C MET A 53 -16.159 -8.168 -4.576 1.00 0.00 C ATOM 769 O MET A 53 -14.979 -8.341 -4.870 1.00 0.00 O ATOM 770 CB MET A 53 -16.540 -6.278 -2.970 1.00 0.00 C ATOM 771 CG MET A 53 -15.764 -4.975 -2.869 1.00 0.00 C ATOM 772 SD MET A 53 -14.005 -5.180 -3.219 1.00 0.00 S ATOM 773 CE MET A 53 -13.568 -3.525 -3.749 1.00 0.00 C ATOM 0 H MET A 53 -18.769 -6.555 -4.036 1.00 0.00 H new ATOM 0 HA MET A 53 -16.153 -6.096 -5.067 1.00 0.00 H new ATOM 0 HB2 MET A 53 -17.521 -6.146 -2.514 1.00 0.00 H new ATOM 0 HB3 MET A 53 -16.023 -7.047 -2.396 1.00 0.00 H new ATOM 0 HG2 MET A 53 -16.186 -4.251 -3.566 1.00 0.00 H new ATOM 0 HG3 MET A 53 -15.885 -4.562 -1.868 1.00 0.00 H new ATOM 0 HE1 MET A 53 -12.508 -3.492 -4.001 1.00 0.00 H new ATOM 0 HE2 MET A 53 -14.158 -3.256 -4.625 1.00 0.00 H new ATOM 0 HE3 MET A 53 -13.772 -2.819 -2.944 1.00 0.00 H new ATOM 783 N THR A 54 -17.012 -9.170 -4.398 1.00 0.00 N ATOM 784 CA THR A 54 -16.598 -10.558 -4.552 1.00 0.00 C ATOM 785 C THR A 54 -16.260 -10.847 -6.015 1.00 0.00 C ATOM 786 O THR A 54 -15.217 -11.430 -6.320 1.00 0.00 O ATOM 787 CB THR A 54 -17.695 -11.526 -4.060 1.00 0.00 C ATOM 788 OG1 THR A 54 -18.010 -11.236 -2.691 1.00 0.00 O ATOM 789 CG2 THR A 54 -17.250 -12.977 -4.185 1.00 0.00 C ATOM 0 H THR A 54 -17.993 -9.047 -4.147 1.00 0.00 H new ATOM 0 HA THR A 54 -15.709 -10.715 -3.941 1.00 0.00 H new ATOM 0 HB THR A 54 -18.578 -11.387 -4.684 1.00 0.00 H new ATOM 0 HG1 THR A 54 -18.770 -10.618 -2.654 1.00 0.00 H new ATOM 0 HG21 THR A 54 -18.045 -13.633 -3.830 1.00 0.00 H new ATOM 0 HG22 THR A 54 -17.032 -13.202 -5.229 1.00 0.00 H new ATOM 0 HG23 THR A 54 -16.354 -13.136 -3.585 1.00 0.00 H new ATOM 797 N LYS A 55 -17.137 -10.414 -6.915 1.00 0.00 N ATOM 798 CA LYS A 55 -16.926 -10.601 -8.344 1.00 0.00 C ATOM 799 C LYS A 55 -15.690 -9.827 -8.784 1.00 0.00 C ATOM 800 O LYS A 55 -14.876 -10.324 -9.567 1.00 0.00 O ATOM 801 CB LYS A 55 -18.156 -10.137 -9.133 1.00 0.00 C ATOM 802 CG LYS A 55 -19.108 -11.263 -9.519 1.00 0.00 C ATOM 803 CD LYS A 55 -19.607 -12.030 -8.302 1.00 0.00 C ATOM 804 CE LYS A 55 -20.721 -13.001 -8.666 1.00 0.00 C ATOM 805 NZ LYS A 55 -22.068 -12.390 -8.507 1.00 0.00 N ATOM 0 H LYS A 55 -18.003 -9.930 -6.678 1.00 0.00 H new ATOM 0 HA LYS A 55 -16.773 -11.661 -8.545 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -18.700 -9.403 -8.539 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -17.823 -9.630 -10.039 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -19.959 -10.849 -10.060 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -18.602 -11.949 -10.198 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -18.779 -12.578 -7.853 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -19.968 -11.327 -7.552 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -20.592 -13.331 -9.697 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -20.649 -13.888 -8.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -22.607 -12.503 -9.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -22.574 -12.862 -7.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -21.967 -11.378 -8.290 1.00 0.00 H new ATOM 819 N SER A 56 -15.548 -8.616 -8.253 1.00 0.00 N ATOM 820 CA SER A 56 -14.405 -7.773 -8.564 1.00 0.00 C ATOM 821 C SER A 56 -13.119 -8.430 -8.069 1.00 0.00 C ATOM 822 O SER A 56 -12.134 -8.493 -8.794 1.00 0.00 O ATOM 823 CB SER A 56 -14.576 -6.392 -7.926 1.00 0.00 C ATOM 824 OG SER A 56 -15.782 -5.780 -8.354 1.00 0.00 O ATOM 0 H SER A 56 -16.214 -8.198 -7.604 1.00 0.00 H new ATOM 0 HA SER A 56 -14.342 -7.651 -9.645 1.00 0.00 H new ATOM 0 HB2 SER A 56 -14.578 -6.487 -6.840 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.729 -5.758 -8.189 1.00 0.00 H new ATOM 0 HG SER A 56 -16.539 -6.181 -7.878 1.00 0.00 H new ATOM 830 N HIS A 57 -13.149 -8.937 -6.836 1.00 0.00 N ATOM 831 CA HIS A 57 -11.991 -9.601 -6.240 1.00 0.00 C ATOM 832 C HIS A 57 -11.596 -10.829 -7.059 1.00 0.00 C ATOM 833 O HIS A 57 -10.425 -11.015 -7.386 1.00 0.00 O ATOM 834 CB HIS A 57 -12.310 -10.000 -4.790 1.00 0.00 C ATOM 835 CG HIS A 57 -11.245 -10.813 -4.114 1.00 0.00 C ATOM 836 ND1 HIS A 57 -11.502 -12.022 -3.509 1.00 0.00 N ATOM 837 CD2 HIS A 57 -9.925 -10.578 -3.931 1.00 0.00 C ATOM 838 CE1 HIS A 57 -10.391 -12.497 -2.985 1.00 0.00 C ATOM 839 NE2 HIS A 57 -9.420 -11.640 -3.224 1.00 0.00 N ATOM 0 H HIS A 57 -13.968 -8.900 -6.229 1.00 0.00 H new ATOM 0 HA HIS A 57 -11.149 -8.909 -6.239 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -12.481 -9.095 -4.208 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -13.241 -10.566 -4.780 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -9.373 -9.717 -4.276 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -10.293 -13.430 -2.450 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -8.449 -11.748 -2.931 1.00 0.00 H new ATOM 848 N GLN A 58 -12.590 -11.643 -7.400 1.00 0.00 N ATOM 849 CA GLN A 58 -12.373 -12.858 -8.181 1.00 0.00 C ATOM 850 C GLN A 58 -11.684 -12.534 -9.505 1.00 0.00 C ATOM 851 O GLN A 58 -10.800 -13.264 -9.956 1.00 0.00 O ATOM 852 CB GLN A 58 -13.715 -13.545 -8.446 1.00 0.00 C ATOM 853 CG GLN A 58 -13.593 -14.983 -8.916 1.00 0.00 C ATOM 854 CD GLN A 58 -14.766 -15.410 -9.777 1.00 0.00 C ATOM 855 OE1 GLN A 58 -15.807 -15.835 -9.271 1.00 0.00 O ATOM 856 NE2 GLN A 58 -14.603 -15.305 -11.086 1.00 0.00 N ATOM 0 H GLN A 58 -13.564 -11.481 -7.145 1.00 0.00 H new ATOM 0 HA GLN A 58 -11.727 -13.527 -7.613 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -14.309 -13.522 -7.533 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -14.261 -12.974 -9.197 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -12.669 -15.101 -9.482 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -13.523 -15.641 -8.050 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -13.725 -14.948 -11.464 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -15.355 -15.581 -11.717 1.00 0.00 H new ATOM 865 N ASN A 59 -12.097 -11.431 -10.115 1.00 0.00 N ATOM 866 CA ASN A 59 -11.534 -10.990 -11.386 1.00 0.00 C ATOM 867 C ASN A 59 -10.160 -10.355 -11.179 1.00 0.00 C ATOM 868 O ASN A 59 -9.194 -10.699 -11.859 1.00 0.00 O ATOM 869 CB ASN A 59 -12.480 -9.982 -12.053 1.00 0.00 C ATOM 870 CG ASN A 59 -11.906 -9.381 -13.324 1.00 0.00 C ATOM 871 OD1 ASN A 59 -11.255 -10.064 -14.112 1.00 0.00 O ATOM 872 ND2 ASN A 59 -12.150 -8.097 -13.531 1.00 0.00 N ATOM 0 H ASN A 59 -12.826 -10.820 -9.747 1.00 0.00 H new ATOM 0 HA ASN A 59 -11.418 -11.860 -12.033 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -13.423 -10.476 -12.285 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -12.704 -9.181 -11.348 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -11.793 -7.639 -14.370 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -12.695 -7.565 -12.852 1.00 0.00 H new ATOM 879 N LEU A 60 -10.090 -9.455 -10.209 1.00 0.00 N ATOM 880 CA LEU A 60 -8.870 -8.721 -9.881 1.00 0.00 C ATOM 881 C LEU A 60 -7.690 -9.642 -9.569 1.00 0.00 C ATOM 882 O LEU A 60 -6.556 -9.344 -9.947 1.00 0.00 O ATOM 883 CB LEU A 60 -9.149 -7.795 -8.695 1.00 0.00 C ATOM 884 CG LEU A 60 -7.948 -7.035 -8.133 1.00 0.00 C ATOM 885 CD1 LEU A 60 -7.245 -6.237 -9.221 1.00 0.00 C ATOM 886 CD2 LEU A 60 -8.401 -6.121 -7.006 1.00 0.00 C ATOM 0 H LEU A 60 -10.885 -9.209 -9.620 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.585 -8.140 -10.758 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.903 -7.068 -8.998 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.584 -8.389 -7.892 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.233 -7.758 -7.740 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.395 -5.707 -8.792 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.895 -6.914 -10.000 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.941 -5.517 -9.652 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.542 -5.581 -6.608 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.133 -5.409 -7.387 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.854 -6.717 -6.214 1.00 0.00 H new ATOM 898 N CYS A 61 -7.953 -10.754 -8.890 1.00 0.00 N ATOM 899 CA CYS A 61 -6.898 -11.700 -8.532 1.00 0.00 C ATOM 900 C CYS A 61 -6.100 -12.154 -9.755 1.00 0.00 C ATOM 901 O CYS A 61 -4.880 -12.318 -9.682 1.00 0.00 O ATOM 902 CB CYS A 61 -7.489 -12.914 -7.814 1.00 0.00 C ATOM 903 SG CYS A 61 -8.004 -12.582 -6.113 1.00 0.00 S ATOM 0 H CYS A 61 -8.885 -11.023 -8.576 1.00 0.00 H new ATOM 0 HA CYS A 61 -6.213 -11.182 -7.860 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -8.348 -13.275 -8.379 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.751 -13.716 -7.810 1.00 0.00 H new ATOM 0 HG CYS A 61 -9.117 -11.910 -6.120 1.00 0.00 H new ATOM 909 N THR A 62 -6.781 -12.340 -10.879 1.00 0.00 N ATOM 910 CA THR A 62 -6.122 -12.783 -12.098 1.00 0.00 C ATOM 911 C THR A 62 -5.896 -11.632 -13.079 1.00 0.00 C ATOM 912 O THR A 62 -5.521 -11.852 -14.233 1.00 0.00 O ATOM 913 CB THR A 62 -6.940 -13.890 -12.784 1.00 0.00 C ATOM 914 OG1 THR A 62 -8.320 -13.785 -12.395 1.00 0.00 O ATOM 915 CG2 THR A 62 -6.401 -15.264 -12.415 1.00 0.00 C ATOM 0 H THR A 62 -7.786 -12.191 -10.970 1.00 0.00 H new ATOM 0 HA THR A 62 -5.148 -13.176 -11.807 1.00 0.00 H new ATOM 0 HB THR A 62 -6.857 -13.766 -13.864 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.839 -14.491 -12.835 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.994 -16.033 -12.911 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.362 -15.345 -12.734 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.460 -15.400 -11.335 1.00 0.00 H new ATOM 923 N LYS A 63 -6.125 -10.406 -12.626 1.00 0.00 N ATOM 924 CA LYS A 63 -5.935 -9.233 -13.476 1.00 0.00 C ATOM 925 C LYS A 63 -4.774 -8.383 -12.981 1.00 0.00 C ATOM 926 O LYS A 63 -4.038 -7.798 -13.778 1.00 0.00 O ATOM 927 CB LYS A 63 -7.207 -8.382 -13.536 1.00 0.00 C ATOM 928 CG LYS A 63 -8.325 -9.005 -14.357 1.00 0.00 C ATOM 929 CD LYS A 63 -7.815 -9.551 -15.681 1.00 0.00 C ATOM 930 CE LYS A 63 -8.958 -9.993 -16.579 1.00 0.00 C ATOM 931 NZ LYS A 63 -9.669 -8.832 -17.172 1.00 0.00 N ATOM 0 H LYS A 63 -6.441 -10.196 -11.679 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.707 -9.593 -14.479 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.566 -8.211 -12.521 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.961 -7.407 -13.956 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.790 -9.809 -13.787 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.097 -8.259 -14.545 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.227 -8.786 -16.189 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.150 -10.394 -15.496 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.571 -10.628 -17.375 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.661 -10.596 -16.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.340 -9.167 -17.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.187 -8.324 -16.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.979 -8.190 -17.612 1.00 0.00 H new ATOM 945 N GLY A 64 -4.626 -8.301 -11.667 1.00 0.00 N ATOM 946 CA GLY A 64 -3.554 -7.518 -11.088 1.00 0.00 C ATOM 947 C GLY A 64 -3.890 -6.044 -11.025 1.00 0.00 C ATOM 948 O GLY A 64 -3.906 -5.450 -9.949 1.00 0.00 O ATOM 0 H GLY A 64 -5.231 -8.764 -10.989 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.342 -7.883 -10.083 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.647 -7.657 -11.676 1.00 0.00 H new ATOM 952 N GLN A 65 -4.168 -5.459 -12.179 1.00 0.00 N ATOM 953 CA GLN A 65 -4.504 -4.046 -12.265 1.00 0.00 C ATOM 954 C GLN A 65 -5.807 -3.857 -13.030 1.00 0.00 C ATOM 955 O GLN A 65 -5.877 -4.134 -14.230 1.00 0.00 O ATOM 956 CB GLN A 65 -3.377 -3.273 -12.955 1.00 0.00 C ATOM 957 CG GLN A 65 -2.059 -3.302 -12.196 1.00 0.00 C ATOM 958 CD GLN A 65 -0.863 -3.081 -13.100 1.00 0.00 C ATOM 959 OE1 GLN A 65 -0.954 -2.396 -14.119 1.00 0.00 O ATOM 960 NE2 GLN A 65 0.265 -3.673 -12.742 1.00 0.00 N ATOM 0 H GLN A 65 -4.167 -5.945 -13.076 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.630 -3.659 -11.254 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.221 -3.688 -13.951 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.687 -2.236 -13.086 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.072 -2.534 -11.422 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -1.956 -4.262 -11.691 1.00 0.00 H new ATOM 0 HE21 GLN A 65 0.299 -4.232 -11.890 1.00 0.00 H new ATOM 0 HE22 GLN A 65 1.100 -3.570 -13.318 1.00 0.00 H new ATOM 969 N VAL A 66 -6.839 -3.402 -12.334 1.00 0.00 N ATOM 970 CA VAL A 66 -8.139 -3.176 -12.952 1.00 0.00 C ATOM 971 C VAL A 66 -8.830 -1.966 -12.327 1.00 0.00 C ATOM 972 O VAL A 66 -8.738 -1.734 -11.119 1.00 0.00 O ATOM 973 CB VAL A 66 -9.055 -4.425 -12.843 1.00 0.00 C ATOM 974 CG1 VAL A 66 -9.392 -4.738 -11.392 1.00 0.00 C ATOM 975 CG2 VAL A 66 -10.330 -4.237 -13.655 1.00 0.00 C ATOM 0 H VAL A 66 -6.802 -3.181 -11.339 1.00 0.00 H new ATOM 0 HA VAL A 66 -7.963 -2.980 -14.010 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.505 -5.272 -13.254 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -10.034 -5.617 -11.349 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.473 -4.933 -10.839 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -9.910 -3.888 -10.947 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -10.955 -5.125 -13.562 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -10.875 -3.370 -13.282 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -10.074 -4.081 -14.703 1.00 0.00 H new ATOM 985 N VAL A 67 -9.495 -1.180 -13.158 1.00 0.00 N ATOM 986 CA VAL A 67 -10.207 -0.005 -12.689 1.00 0.00 C ATOM 987 C VAL A 67 -11.701 -0.299 -12.636 1.00 0.00 C ATOM 988 O VAL A 67 -12.403 -0.202 -13.644 1.00 0.00 O ATOM 989 CB VAL A 67 -9.950 1.220 -13.590 1.00 0.00 C ATOM 990 CG1 VAL A 67 -10.634 2.455 -13.029 1.00 0.00 C ATOM 991 CG2 VAL A 67 -8.456 1.465 -13.746 1.00 0.00 C ATOM 0 H VAL A 67 -9.556 -1.336 -14.164 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.837 0.233 -11.692 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.372 1.012 -14.574 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.439 3.307 -13.681 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.708 2.281 -12.971 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.246 2.665 -12.032 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.294 2.333 -14.385 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.013 1.648 -12.767 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.989 0.590 -14.198 1.00 0.00 H new ATOM 1001 N SER A 68 -12.167 -0.690 -11.463 1.00 0.00 N ATOM 1002 CA SER A 68 -13.567 -1.019 -11.253 1.00 0.00 C ATOM 1003 C SER A 68 -14.427 0.242 -11.164 1.00 0.00 C ATOM 1004 O SER A 68 -13.911 1.363 -11.206 1.00 0.00 O ATOM 1005 CB SER A 68 -13.690 -1.842 -9.971 1.00 0.00 C ATOM 1006 OG SER A 68 -12.468 -1.817 -9.245 1.00 0.00 O ATOM 0 H SER A 68 -11.587 -0.789 -10.630 1.00 0.00 H new ATOM 0 HA SER A 68 -13.929 -1.598 -12.103 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.495 -1.445 -9.353 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.953 -2.871 -10.216 1.00 0.00 H new ATOM 0 HG SER A 68 -12.336 -0.927 -8.858 1.00 0.00 H new ATOM 1012 N GLY A 69 -15.736 0.055 -11.060 1.00 0.00 N ATOM 1013 CA GLY A 69 -16.641 1.179 -10.956 1.00 0.00 C ATOM 1014 C GLY A 69 -16.817 1.632 -9.521 1.00 0.00 C ATOM 1015 O GLY A 69 -15.888 1.548 -8.717 1.00 0.00 O ATOM 0 H GLY A 69 -16.187 -0.860 -11.046 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -16.261 2.007 -11.554 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -17.611 0.904 -11.371 1.00 0.00 H new ATOM 1019 N GLN A 70 -18.008 2.102 -9.193 1.00 0.00 N ATOM 1020 CA GLN A 70 -18.298 2.567 -7.846 1.00 0.00 C ATOM 1021 C GLN A 70 -19.272 1.634 -7.144 1.00 0.00 C ATOM 1022 O GLN A 70 -20.021 0.895 -7.791 1.00 0.00 O ATOM 1023 CB GLN A 70 -18.877 3.982 -7.881 1.00 0.00 C ATOM 1024 CG GLN A 70 -17.859 5.046 -8.237 1.00 0.00 C ATOM 1025 CD GLN A 70 -18.445 6.440 -8.197 1.00 0.00 C ATOM 1026 OE1 GLN A 70 -18.963 6.935 -9.194 1.00 0.00 O ATOM 1027 NE2 GLN A 70 -18.369 7.084 -7.043 1.00 0.00 N ATOM 0 H GLN A 70 -18.792 2.172 -9.842 1.00 0.00 H new ATOM 0 HA GLN A 70 -17.361 2.576 -7.289 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -19.692 4.014 -8.604 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -19.307 4.214 -6.906 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -17.019 4.988 -7.545 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -17.465 4.849 -9.234 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -17.930 6.637 -6.238 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -18.749 8.027 -6.959 1.00 0.00 H new ATOM 1036 N TYR A 71 -19.259 1.674 -5.821 1.00 0.00 N ATOM 1037 CA TYR A 71 -20.142 0.846 -5.018 1.00 0.00 C ATOM 1038 C TYR A 71 -20.517 1.568 -3.733 1.00 0.00 C ATOM 1039 O TYR A 71 -19.980 2.638 -3.435 1.00 0.00 O ATOM 1040 CB TYR A 71 -19.487 -0.505 -4.697 1.00 0.00 C ATOM 1041 CG TYR A 71 -18.136 -0.405 -4.011 1.00 0.00 C ATOM 1042 CD1 TYR A 71 -18.026 0.032 -2.696 1.00 0.00 C ATOM 1043 CD2 TYR A 71 -16.973 -0.761 -4.678 1.00 0.00 C ATOM 1044 CE1 TYR A 71 -16.799 0.111 -2.069 1.00 0.00 C ATOM 1045 CE2 TYR A 71 -15.742 -0.688 -4.055 1.00 0.00 C ATOM 1046 CZ TYR A 71 -15.661 -0.250 -2.751 1.00 0.00 C ATOM 1047 OH TYR A 71 -14.439 -0.183 -2.124 1.00 0.00 O ATOM 0 H TYR A 71 -18.641 2.277 -5.278 1.00 0.00 H new ATOM 0 HA TYR A 71 -21.048 0.657 -5.594 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -20.161 -1.079 -4.061 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -19.369 -1.066 -5.624 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -18.917 0.315 -2.155 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -17.031 -1.101 -5.701 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -16.733 0.455 -1.047 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -14.847 -0.973 -4.588 1.00 0.00 H new ATOM 0 HH TYR A 71 -14.250 -1.038 -1.683 1.00 0.00 H new ATOM 1057 N ARG A 72 -21.436 0.986 -2.981 1.00 0.00 N ATOM 1058 CA ARG A 72 -21.871 1.569 -1.723 1.00 0.00 C ATOM 1059 C ARG A 72 -21.043 1.019 -0.571 1.00 0.00 C ATOM 1060 O ARG A 72 -21.219 -0.131 -0.167 1.00 0.00 O ATOM 1061 CB ARG A 72 -23.344 1.266 -1.474 1.00 0.00 C ATOM 1062 CG ARG A 72 -24.278 1.820 -2.529 1.00 0.00 C ATOM 1063 CD ARG A 72 -25.690 1.307 -2.318 1.00 0.00 C ATOM 1064 NE ARG A 72 -26.547 1.575 -3.468 1.00 0.00 N ATOM 1065 CZ ARG A 72 -26.661 0.754 -4.508 1.00 0.00 C ATOM 1066 NH1 ARG A 72 -25.960 -0.372 -4.542 1.00 0.00 N ATOM 1067 NH2 ARG A 72 -27.465 1.061 -5.518 1.00 0.00 N ATOM 0 H ARG A 72 -21.896 0.108 -3.221 1.00 0.00 H new ATOM 0 HA ARG A 72 -21.733 2.648 -1.784 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -23.477 0.186 -1.418 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -23.628 1.673 -0.503 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -24.272 2.909 -2.491 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -23.926 1.534 -3.520 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -25.661 0.234 -2.130 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -26.117 1.775 -1.431 1.00 0.00 H new ATOM 0 HE ARG A 72 -27.088 2.439 -3.475 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -25.335 -0.607 -3.771 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -26.046 -1.003 -5.339 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -27.999 1.930 -5.499 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -27.549 0.428 -6.313 1.00 0.00 H new ATOM 1081 N MET A 73 -20.133 1.824 -0.054 1.00 0.00 N ATOM 1082 CA MET A 73 -19.294 1.399 1.053 1.00 0.00 C ATOM 1083 C MET A 73 -20.034 1.587 2.371 1.00 0.00 C ATOM 1084 O MET A 73 -20.575 2.659 2.639 1.00 0.00 O ATOM 1085 CB MET A 73 -17.974 2.170 1.068 1.00 0.00 C ATOM 1086 CG MET A 73 -16.972 1.621 2.072 1.00 0.00 C ATOM 1087 SD MET A 73 -16.778 -0.171 1.944 1.00 0.00 S ATOM 1088 CE MET A 73 -15.888 -0.525 3.460 1.00 0.00 C ATOM 0 H MET A 73 -19.956 2.774 -0.381 1.00 0.00 H new ATOM 0 HA MET A 73 -19.064 0.341 0.923 1.00 0.00 H new ATOM 0 HB2 MET A 73 -17.533 2.142 0.072 1.00 0.00 H new ATOM 0 HB3 MET A 73 -18.174 3.216 1.299 1.00 0.00 H new ATOM 0 HG2 MET A 73 -16.006 2.100 1.916 1.00 0.00 H new ATOM 0 HG3 MET A 73 -17.295 1.877 3.081 1.00 0.00 H new ATOM 0 HE1 MET A 73 -15.693 -1.595 3.526 1.00 0.00 H new ATOM 0 HE2 MET A 73 -14.942 0.017 3.462 1.00 0.00 H new ATOM 0 HE3 MET A 73 -16.487 -0.212 4.315 1.00 0.00 H new ATOM 1098 N LEU A 74 -20.055 0.539 3.182 1.00 0.00 N ATOM 1099 CA LEU A 74 -20.742 0.576 4.464 1.00 0.00 C ATOM 1100 C LEU A 74 -19.929 1.346 5.496 1.00 0.00 C ATOM 1101 O LEU A 74 -18.829 0.937 5.866 1.00 0.00 O ATOM 1102 CB LEU A 74 -21.008 -0.847 4.965 1.00 0.00 C ATOM 1103 CG LEU A 74 -21.717 -0.943 6.319 1.00 0.00 C ATOM 1104 CD1 LEU A 74 -23.154 -0.458 6.212 1.00 0.00 C ATOM 1105 CD2 LEU A 74 -21.670 -2.368 6.845 1.00 0.00 C ATOM 0 H LEU A 74 -19.602 -0.351 2.973 1.00 0.00 H new ATOM 0 HA LEU A 74 -21.693 1.089 4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -21.609 -1.370 4.221 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -20.056 -1.374 5.034 1.00 0.00 H new ATOM 0 HG LEU A 74 -21.194 -0.298 7.025 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -23.638 -0.535 7.186 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -23.164 0.581 5.884 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -23.692 -1.072 5.490 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -22.179 -2.417 7.808 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -22.166 -3.033 6.138 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -20.632 -2.677 6.967 1.00 0.00 H new ATOM 1117 N ALA A 75 -20.473 2.467 5.940 1.00 0.00 N ATOM 1118 CA ALA A 75 -19.820 3.291 6.941 1.00 0.00 C ATOM 1119 C ALA A 75 -20.265 2.865 8.336 1.00 0.00 C ATOM 1120 O ALA A 75 -21.192 2.065 8.480 1.00 0.00 O ATOM 1121 CB ALA A 75 -20.130 4.758 6.699 1.00 0.00 C ATOM 0 H ALA A 75 -21.372 2.828 5.620 1.00 0.00 H new ATOM 0 HA ALA A 75 -18.741 3.155 6.866 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -19.634 5.365 7.457 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -19.772 5.047 5.711 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -21.207 4.916 6.755 1.00 0.00 H new ATOM 1127 N LYS A 76 -19.628 3.420 9.360 1.00 0.00 N ATOM 1128 CA LYS A 76 -19.939 3.081 10.747 1.00 0.00 C ATOM 1129 C LYS A 76 -21.237 3.744 11.224 1.00 0.00 C ATOM 1130 O LYS A 76 -21.246 4.477 12.213 1.00 0.00 O ATOM 1131 CB LYS A 76 -18.775 3.488 11.654 1.00 0.00 C ATOM 1132 CG LYS A 76 -18.746 2.757 12.985 1.00 0.00 C ATOM 1133 CD LYS A 76 -17.676 3.321 13.905 1.00 0.00 C ATOM 1134 CE LYS A 76 -18.036 4.713 14.403 1.00 0.00 C ATOM 1135 NZ LYS A 76 -19.107 4.673 15.434 1.00 0.00 N ATOM 0 H LYS A 76 -18.887 4.113 9.256 1.00 0.00 H new ATOM 0 HA LYS A 76 -20.086 2.002 10.800 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -17.837 3.304 11.129 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -18.831 4.560 11.841 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -19.721 2.836 13.467 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -18.560 1.697 12.815 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -17.540 2.654 14.756 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -16.724 3.359 13.375 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -17.149 5.190 14.819 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -18.363 5.326 13.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -19.241 5.624 15.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -19.995 4.352 14.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -18.835 4.015 16.192 1.00 0.00 H new ATOM 1149 N HIS A 77 -22.320 3.498 10.497 1.00 0.00 N ATOM 1150 CA HIS A 77 -23.640 4.033 10.842 1.00 0.00 C ATOM 1151 C HIS A 77 -24.701 3.484 9.895 1.00 0.00 C ATOM 1152 O HIS A 77 -25.763 4.078 9.727 1.00 0.00 O ATOM 1153 CB HIS A 77 -23.667 5.578 10.845 1.00 0.00 C ATOM 1154 CG HIS A 77 -23.293 6.232 9.546 1.00 0.00 C ATOM 1155 ND1 HIS A 77 -22.089 6.633 9.075 1.00 0.00 N flip ATOM 1156 CD2 HIS A 77 -24.212 6.574 8.573 1.00 0.00 C flip ATOM 1157 CE1 HIS A 77 -22.301 7.202 7.845 1.00 0.00 C flip ATOM 1158 NE2 HIS A 77 -23.588 7.154 7.565 1.00 0.00 N flip ATOM 0 H HIS A 77 -22.313 2.924 9.654 1.00 0.00 H new ATOM 0 HA HIS A 77 -23.863 3.707 11.858 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -24.669 5.906 11.122 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -22.989 5.935 11.620 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -21.191 6.531 9.547 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -25.276 6.395 8.629 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -21.536 7.622 7.208 1.00 0.00 H new ATOM 1167 N GLY A 78 -24.402 2.340 9.280 1.00 0.00 N ATOM 1168 CA GLY A 78 -25.336 1.719 8.354 1.00 0.00 C ATOM 1169 C GLY A 78 -25.500 2.497 7.065 1.00 0.00 C ATOM 1170 O GLY A 78 -26.354 2.174 6.242 1.00 0.00 O ATOM 0 H GLY A 78 -23.527 1.832 9.407 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -24.992 0.711 8.122 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -26.308 1.621 8.838 1.00 0.00 H new ATOM 1174 N GLY A 79 -24.673 3.515 6.887 1.00 0.00 N ATOM 1175 CA GLY A 79 -24.750 4.330 5.697 1.00 0.00 C ATOM 1176 C GLY A 79 -23.900 3.785 4.573 1.00 0.00 C ATOM 1177 O GLY A 79 -22.831 3.227 4.817 1.00 0.00 O ATOM 0 H GLY A 79 -23.948 3.791 7.549 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -25.787 4.392 5.368 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -24.429 5.345 5.933 1.00 0.00 H new ATOM 1181 N TYR A 80 -24.373 3.943 3.347 1.00 0.00 N ATOM 1182 CA TYR A 80 -23.656 3.464 2.174 1.00 0.00 C ATOM 1183 C TYR A 80 -23.135 4.634 1.349 1.00 0.00 C ATOM 1184 O TYR A 80 -23.903 5.346 0.711 1.00 0.00 O ATOM 1185 CB TYR A 80 -24.573 2.587 1.322 1.00 0.00 C ATOM 1186 CG TYR A 80 -25.164 1.422 2.076 1.00 0.00 C ATOM 1187 CD1 TYR A 80 -24.402 0.296 2.357 1.00 0.00 C ATOM 1188 CD2 TYR A 80 -26.480 1.453 2.514 1.00 0.00 C ATOM 1189 CE1 TYR A 80 -24.939 -0.769 3.054 1.00 0.00 C ATOM 1190 CE2 TYR A 80 -27.022 0.397 3.211 1.00 0.00 C ATOM 1191 CZ TYR A 80 -26.250 -0.710 3.479 1.00 0.00 C ATOM 1192 OH TYR A 80 -26.792 -1.762 4.178 1.00 0.00 O ATOM 0 H TYR A 80 -25.258 4.403 3.137 1.00 0.00 H new ATOM 0 HA TYR A 80 -22.805 2.870 2.507 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -25.382 3.200 0.924 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -24.010 2.209 0.468 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -23.375 0.252 2.026 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -27.089 2.320 2.305 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -24.337 -1.641 3.264 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -28.048 0.437 3.546 1.00 0.00 H new ATOM 0 HH TYR A 80 -27.724 -1.559 4.403 1.00 0.00 H new ATOM 1202 N VAL A 81 -21.829 4.831 1.372 1.00 0.00 N ATOM 1203 CA VAL A 81 -21.206 5.924 0.635 1.00 0.00 C ATOM 1204 C VAL A 81 -20.660 5.434 -0.701 1.00 0.00 C ATOM 1205 O VAL A 81 -19.955 4.427 -0.755 1.00 0.00 O ATOM 1206 CB VAL A 81 -20.057 6.565 1.446 1.00 0.00 C ATOM 1207 CG1 VAL A 81 -19.754 7.966 0.937 1.00 0.00 C ATOM 1208 CG2 VAL A 81 -20.389 6.596 2.931 1.00 0.00 C ATOM 0 H VAL A 81 -21.175 4.248 1.894 1.00 0.00 H new ATOM 0 HA VAL A 81 -21.977 6.674 0.459 1.00 0.00 H new ATOM 0 HB VAL A 81 -19.167 5.950 1.310 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -18.942 8.398 1.522 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -19.459 7.916 -0.111 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -20.643 8.589 1.035 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -19.564 7.052 3.479 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -21.296 7.180 3.089 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -20.545 5.579 3.290 1.00 0.00 H new ATOM 1218 N TRP A 82 -20.996 6.137 -1.777 1.00 0.00 N ATOM 1219 CA TRP A 82 -20.522 5.766 -3.106 1.00 0.00 C ATOM 1220 C TRP A 82 -19.048 6.128 -3.256 1.00 0.00 C ATOM 1221 O TRP A 82 -18.689 7.303 -3.378 1.00 0.00 O ATOM 1222 CB TRP A 82 -21.346 6.458 -4.193 1.00 0.00 C ATOM 1223 CG TRP A 82 -22.641 5.774 -4.507 1.00 0.00 C ATOM 1224 CD1 TRP A 82 -23.851 6.002 -3.919 1.00 0.00 C ATOM 1225 CD2 TRP A 82 -22.855 4.753 -5.488 1.00 0.00 C ATOM 1226 NE1 TRP A 82 -24.805 5.188 -4.479 1.00 0.00 N ATOM 1227 CE2 TRP A 82 -24.218 4.410 -5.441 1.00 0.00 C ATOM 1228 CE3 TRP A 82 -22.030 4.095 -6.403 1.00 0.00 C ATOM 1229 CZ2 TRP A 82 -24.773 3.442 -6.271 1.00 0.00 C ATOM 1230 CZ3 TRP A 82 -22.582 3.132 -7.227 1.00 0.00 C ATOM 1231 CH2 TRP A 82 -23.943 2.814 -7.156 1.00 0.00 C ATOM 0 H TRP A 82 -21.593 6.964 -1.756 1.00 0.00 H new ATOM 0 HA TRP A 82 -20.639 4.689 -3.222 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -21.554 7.481 -3.880 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -20.749 6.518 -5.103 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -24.032 6.717 -3.130 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -25.791 5.166 -4.220 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -20.979 4.334 -6.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -25.823 3.195 -6.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -21.953 2.617 -7.937 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -24.345 2.057 -7.814 1.00 0.00 H new ATOM 1242 N LEU A 83 -18.195 5.117 -3.241 1.00 0.00 N ATOM 1243 CA LEU A 83 -16.759 5.327 -3.354 1.00 0.00 C ATOM 1244 C LEU A 83 -16.185 4.629 -4.579 1.00 0.00 C ATOM 1245 O LEU A 83 -16.753 3.652 -5.077 1.00 0.00 O ATOM 1246 CB LEU A 83 -16.054 4.810 -2.096 1.00 0.00 C ATOM 1247 CG LEU A 83 -15.619 5.883 -1.094 1.00 0.00 C ATOM 1248 CD1 LEU A 83 -16.824 6.570 -0.478 1.00 0.00 C ATOM 1249 CD2 LEU A 83 -14.740 5.274 -0.011 1.00 0.00 C ATOM 0 H LEU A 83 -18.472 4.139 -3.151 1.00 0.00 H new ATOM 0 HA LEU A 83 -16.589 6.398 -3.461 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -16.720 4.113 -1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -15.173 4.245 -2.401 1.00 0.00 H new ATOM 0 HG LEU A 83 -15.039 6.634 -1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -16.488 7.328 0.230 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -17.414 7.043 -1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -17.436 5.833 0.042 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -14.440 6.050 0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -15.297 4.501 0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -13.853 4.835 -0.467 1.00 0.00 H new ATOM 1261 N GLU A 84 -15.068 5.155 -5.063 1.00 0.00 N ATOM 1262 CA GLU A 84 -14.366 4.591 -6.205 1.00 0.00 C ATOM 1263 C GLU A 84 -13.268 3.673 -5.690 1.00 0.00 C ATOM 1264 O GLU A 84 -12.779 3.867 -4.578 1.00 0.00 O ATOM 1265 CB GLU A 84 -13.752 5.703 -7.059 1.00 0.00 C ATOM 1266 CG GLU A 84 -14.763 6.498 -7.866 1.00 0.00 C ATOM 1267 CD GLU A 84 -14.490 6.436 -9.353 1.00 0.00 C ATOM 1268 OE1 GLU A 84 -14.912 5.455 -10.000 1.00 0.00 O ATOM 1269 OE2 GLU A 84 -13.843 7.364 -9.886 1.00 0.00 O ATOM 0 H GLU A 84 -14.623 5.986 -4.673 1.00 0.00 H new ATOM 0 HA GLU A 84 -15.067 4.032 -6.825 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.206 6.386 -6.408 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.025 5.262 -7.741 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -15.764 6.116 -7.667 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.748 7.538 -7.539 1.00 0.00 H new ATOM 1276 N THR A 85 -12.876 2.680 -6.470 1.00 0.00 N ATOM 1277 CA THR A 85 -11.837 1.762 -6.031 1.00 0.00 C ATOM 1278 C THR A 85 -11.069 1.157 -7.199 1.00 0.00 C ATOM 1279 O THR A 85 -11.649 0.533 -8.093 1.00 0.00 O ATOM 1280 CB THR A 85 -12.421 0.621 -5.173 1.00 0.00 C ATOM 1281 OG1 THR A 85 -13.166 1.162 -4.077 1.00 0.00 O ATOM 1282 CG2 THR A 85 -11.316 -0.278 -4.635 1.00 0.00 C ATOM 0 H THR A 85 -13.255 2.489 -7.398 1.00 0.00 H new ATOM 0 HA THR A 85 -11.147 2.355 -5.430 1.00 0.00 H new ATOM 0 HB THR A 85 -13.079 0.027 -5.807 1.00 0.00 H new ATOM 0 HG1 THR A 85 -13.698 0.452 -3.661 1.00 0.00 H new ATOM 0 HG21 THR A 85 -11.755 -1.074 -4.034 1.00 0.00 H new ATOM 0 HG22 THR A 85 -10.764 -0.714 -5.468 1.00 0.00 H new ATOM 0 HG23 THR A 85 -10.637 0.310 -4.018 1.00 0.00 H new ATOM 1290 N GLN A 86 -9.758 1.356 -7.183 1.00 0.00 N ATOM 1291 CA GLN A 86 -8.881 0.805 -8.202 1.00 0.00 C ATOM 1292 C GLN A 86 -8.186 -0.429 -7.641 1.00 0.00 C ATOM 1293 O GLN A 86 -7.647 -0.395 -6.531 1.00 0.00 O ATOM 1294 CB GLN A 86 -7.845 1.838 -8.651 1.00 0.00 C ATOM 1295 CG GLN A 86 -6.885 1.310 -9.709 1.00 0.00 C ATOM 1296 CD GLN A 86 -5.731 2.252 -9.980 1.00 0.00 C ATOM 1297 OE1 GLN A 86 -5.801 3.107 -10.863 1.00 0.00 O ATOM 1298 NE2 GLN A 86 -4.653 2.095 -9.229 1.00 0.00 N ATOM 0 H GLN A 86 -9.277 1.901 -6.467 1.00 0.00 H new ATOM 0 HA GLN A 86 -9.476 0.531 -9.073 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.362 2.713 -9.044 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -7.273 2.169 -7.784 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -6.492 0.346 -9.387 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -7.432 1.138 -10.636 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.635 1.374 -8.507 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -3.840 2.695 -9.372 1.00 0.00 H new ATOM 1307 N GLY A 87 -8.214 -1.516 -8.394 1.00 0.00 N ATOM 1308 CA GLY A 87 -7.597 -2.740 -7.942 1.00 0.00 C ATOM 1309 C GLY A 87 -6.154 -2.861 -8.382 1.00 0.00 C ATOM 1310 O GLY A 87 -5.868 -2.962 -9.575 1.00 0.00 O ATOM 0 H GLY A 87 -8.655 -1.571 -9.312 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.647 -2.787 -6.854 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.162 -3.590 -8.324 1.00 0.00 H new ATOM 1314 N THR A 88 -5.246 -2.839 -7.416 1.00 0.00 N ATOM 1315 CA THR A 88 -3.823 -2.958 -7.694 1.00 0.00 C ATOM 1316 C THR A 88 -3.205 -4.064 -6.835 1.00 0.00 C ATOM 1317 O THR A 88 -2.830 -3.834 -5.687 1.00 0.00 O ATOM 1318 CB THR A 88 -3.096 -1.624 -7.427 1.00 0.00 C ATOM 1319 OG1 THR A 88 -4.055 -0.568 -7.241 1.00 0.00 O ATOM 1320 CG2 THR A 88 -2.174 -1.272 -8.584 1.00 0.00 C ATOM 0 H THR A 88 -5.473 -2.739 -6.427 1.00 0.00 H new ATOM 0 HA THR A 88 -3.706 -3.213 -8.747 1.00 0.00 H new ATOM 0 HB THR A 88 -2.498 -1.737 -6.523 1.00 0.00 H new ATOM 0 HG1 THR A 88 -4.459 -0.646 -6.351 1.00 0.00 H new ATOM 0 HG21 THR A 88 -1.672 -0.328 -8.375 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.430 -2.059 -8.709 1.00 0.00 H new ATOM 0 HG23 THR A 88 -2.759 -1.177 -9.499 1.00 0.00 H new ATOM 1328 N VAL A 89 -3.118 -5.265 -7.389 1.00 0.00 N ATOM 1329 CA VAL A 89 -2.572 -6.409 -6.666 1.00 0.00 C ATOM 1330 C VAL A 89 -1.049 -6.446 -6.726 1.00 0.00 C ATOM 1331 O VAL A 89 -0.449 -6.266 -7.789 1.00 0.00 O ATOM 1332 CB VAL A 89 -3.116 -7.745 -7.221 1.00 0.00 C ATOM 1333 CG1 VAL A 89 -2.637 -8.917 -6.377 1.00 0.00 C ATOM 1334 CG2 VAL A 89 -4.632 -7.727 -7.285 1.00 0.00 C ATOM 0 H VAL A 89 -3.419 -5.475 -8.341 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.888 -6.288 -5.630 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.730 -7.868 -8.233 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.033 -9.846 -6.787 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.548 -8.951 -6.386 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.987 -8.794 -5.352 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.991 -8.678 -7.679 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.037 -7.573 -6.285 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.959 -6.918 -7.938 1.00 0.00 H new ATOM 1344 N ILE A 90 -0.437 -6.677 -5.572 1.00 0.00 N ATOM 1345 CA ILE A 90 1.005 -6.781 -5.469 1.00 0.00 C ATOM 1346 C ILE A 90 1.390 -8.254 -5.444 1.00 0.00 C ATOM 1347 O ILE A 90 1.118 -8.963 -4.468 1.00 0.00 O ATOM 1348 CB ILE A 90 1.554 -6.083 -4.203 1.00 0.00 C ATOM 1349 CG1 ILE A 90 1.162 -4.600 -4.194 1.00 0.00 C ATOM 1350 CG2 ILE A 90 3.070 -6.237 -4.130 1.00 0.00 C ATOM 1351 CD1 ILE A 90 1.655 -3.855 -2.973 1.00 0.00 C ATOM 0 H ILE A 90 -0.928 -6.797 -4.686 1.00 0.00 H new ATOM 0 HA ILE A 90 1.442 -6.279 -6.332 1.00 0.00 H new ATOM 0 HB ILE A 90 1.115 -6.558 -3.326 1.00 0.00 H new ATOM 0 HG12 ILE A 90 1.561 -4.121 -5.088 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.076 -4.519 -4.246 1.00 0.00 H new ATOM 0 HG21 ILE A 90 3.443 -5.741 -3.234 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.327 -7.296 -4.092 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.525 -5.784 -5.011 1.00 0.00 H new ATOM 0 HD11 ILE A 90 1.342 -2.812 -3.032 1.00 0.00 H new ATOM 0 HD12 ILE A 90 1.235 -4.309 -2.075 1.00 0.00 H new ATOM 0 HD13 ILE A 90 2.743 -3.906 -2.931 1.00 0.00 H new ATOM 1363 N TYR A 91 1.985 -8.720 -6.527 1.00 0.00 N ATOM 1364 CA TYR A 91 2.388 -10.111 -6.631 1.00 0.00 C ATOM 1365 C TYR A 91 3.731 -10.323 -5.947 1.00 0.00 C ATOM 1366 O TYR A 91 4.626 -9.484 -6.042 1.00 0.00 O ATOM 1367 CB TYR A 91 2.447 -10.544 -8.100 1.00 0.00 C ATOM 1368 CG TYR A 91 1.087 -10.593 -8.766 1.00 0.00 C ATOM 1369 CD1 TYR A 91 0.456 -9.429 -9.189 1.00 0.00 C ATOM 1370 CD2 TYR A 91 0.434 -11.801 -8.967 1.00 0.00 C ATOM 1371 CE1 TYR A 91 -0.788 -9.469 -9.790 1.00 0.00 C ATOM 1372 CE2 TYR A 91 -0.810 -11.849 -9.569 1.00 0.00 C ATOM 1373 CZ TYR A 91 -1.417 -10.680 -9.978 1.00 0.00 C ATOM 1374 OH TYR A 91 -2.659 -10.721 -10.575 1.00 0.00 O ATOM 0 H TYR A 91 2.200 -8.155 -7.348 1.00 0.00 H new ATOM 0 HA TYR A 91 1.646 -10.730 -6.126 1.00 0.00 H new ATOM 0 HB2 TYR A 91 3.088 -9.854 -8.649 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.910 -11.529 -8.163 1.00 0.00 H new ATOM 0 HD1 TYR A 91 0.946 -8.477 -9.046 1.00 0.00 H new ATOM 0 HD2 TYR A 91 0.905 -12.719 -8.648 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -1.265 -8.555 -10.111 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -1.304 -12.798 -9.718 1.00 0.00 H new ATOM 0 HH TYR A 91 -3.238 -11.340 -10.083 1.00 0.00 H new ATOM 1384 N ASN A 92 3.852 -11.434 -5.241 1.00 0.00 N ATOM 1385 CA ASN A 92 5.077 -11.767 -4.529 1.00 0.00 C ATOM 1386 C ASN A 92 6.033 -12.492 -5.468 1.00 0.00 C ATOM 1387 O ASN A 92 5.690 -13.536 -6.011 1.00 0.00 O ATOM 1388 CB ASN A 92 4.746 -12.646 -3.317 1.00 0.00 C ATOM 1389 CG ASN A 92 5.894 -12.781 -2.332 1.00 0.00 C ATOM 1390 OD1 ASN A 92 7.064 -12.775 -2.709 1.00 0.00 O ATOM 1391 ND2 ASN A 92 5.559 -12.915 -1.057 1.00 0.00 N ATOM 0 H ASN A 92 3.110 -12.127 -5.144 1.00 0.00 H new ATOM 0 HA ASN A 92 5.556 -10.853 -4.178 1.00 0.00 H new ATOM 0 HB2 ASN A 92 3.882 -12.227 -2.800 1.00 0.00 H new ATOM 0 HB3 ASN A 92 4.459 -13.638 -3.666 1.00 0.00 H new ATOM 0 HD21 ASN A 92 6.284 -13.018 -0.347 1.00 0.00 H new ATOM 0 HD22 ASN A 92 4.576 -12.915 -0.785 1.00 0.00 H new ATOM 1398 N PRO A 93 7.245 -11.951 -5.667 1.00 0.00 N ATOM 1399 CA PRO A 93 8.245 -12.544 -6.566 1.00 0.00 C ATOM 1400 C PRO A 93 8.742 -13.913 -6.102 1.00 0.00 C ATOM 1401 O PRO A 93 9.343 -14.655 -6.877 1.00 0.00 O ATOM 1402 CB PRO A 93 9.395 -11.531 -6.545 1.00 0.00 C ATOM 1403 CG PRO A 93 9.221 -10.774 -5.273 1.00 0.00 C ATOM 1404 CD PRO A 93 7.741 -10.718 -5.031 1.00 0.00 C ATOM 0 HA PRO A 93 7.824 -12.724 -7.555 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.363 -12.032 -6.577 1.00 0.00 H new ATOM 0 HB3 PRO A 93 9.352 -10.867 -7.408 1.00 0.00 H new ATOM 0 HG2 PRO A 93 9.734 -11.270 -4.449 1.00 0.00 H new ATOM 0 HG3 PRO A 93 9.643 -9.772 -5.353 1.00 0.00 H new ATOM 0 HD2 PRO A 93 7.508 -10.693 -3.966 1.00 0.00 H new ATOM 0 HD3 PRO A 93 7.294 -9.829 -5.476 1.00 0.00 H new ATOM 1412 N ARG A 94 8.488 -14.244 -4.841 1.00 0.00 N ATOM 1413 CA ARG A 94 8.926 -15.520 -4.284 1.00 0.00 C ATOM 1414 C ARG A 94 8.174 -16.700 -4.900 1.00 0.00 C ATOM 1415 O ARG A 94 8.784 -17.699 -5.279 1.00 0.00 O ATOM 1416 CB ARG A 94 8.756 -15.523 -2.762 1.00 0.00 C ATOM 1417 CG ARG A 94 9.863 -14.784 -2.027 1.00 0.00 C ATOM 1418 CD ARG A 94 9.555 -14.633 -0.546 1.00 0.00 C ATOM 1419 NE ARG A 94 10.731 -14.198 0.208 1.00 0.00 N ATOM 1420 CZ ARG A 94 10.689 -13.433 1.297 1.00 0.00 C ATOM 1421 NH1 ARG A 94 9.530 -13.009 1.785 1.00 0.00 N ATOM 1422 NH2 ARG A 94 11.818 -13.097 1.904 1.00 0.00 N ATOM 0 H ARG A 94 7.982 -13.648 -4.186 1.00 0.00 H new ATOM 0 HA ARG A 94 9.982 -15.637 -4.529 1.00 0.00 H new ATOM 0 HB2 ARG A 94 7.798 -15.069 -2.510 1.00 0.00 H new ATOM 0 HB3 ARG A 94 8.722 -16.554 -2.410 1.00 0.00 H new ATOM 0 HG2 ARG A 94 10.803 -15.322 -2.150 1.00 0.00 H new ATOM 0 HG3 ARG A 94 10.000 -13.798 -2.472 1.00 0.00 H new ATOM 0 HD2 ARG A 94 8.750 -13.911 -0.413 1.00 0.00 H new ATOM 0 HD3 ARG A 94 9.199 -15.584 -0.149 1.00 0.00 H new ATOM 0 HE ARG A 94 11.646 -14.502 -0.124 1.00 0.00 H new ATOM 0 HH11 ARG A 94 8.657 -13.269 1.325 1.00 0.00 H new ATOM 0 HH12 ARG A 94 9.512 -12.423 2.620 1.00 0.00 H new ATOM 0 HH21 ARG A 94 12.712 -13.424 1.537 1.00 0.00 H new ATOM 0 HH22 ARG A 94 11.794 -12.511 2.739 1.00 0.00 H new ATOM 1436 N ASN A 95 6.854 -16.588 -5.011 1.00 0.00 N ATOM 1437 CA ASN A 95 6.057 -17.678 -5.578 1.00 0.00 C ATOM 1438 C ASN A 95 5.247 -17.215 -6.785 1.00 0.00 C ATOM 1439 O ASN A 95 4.494 -18.001 -7.367 1.00 0.00 O ATOM 1440 CB ASN A 95 5.112 -18.273 -4.527 1.00 0.00 C ATOM 1441 CG ASN A 95 5.842 -18.822 -3.317 1.00 0.00 C ATOM 1442 OD1 ASN A 95 6.002 -18.133 -2.308 1.00 0.00 O ATOM 1443 ND2 ASN A 95 6.294 -20.060 -3.403 1.00 0.00 N ATOM 0 H ASN A 95 6.318 -15.770 -4.722 1.00 0.00 H new ATOM 0 HA ASN A 95 6.758 -18.445 -5.905 1.00 0.00 H new ATOM 0 HB2 ASN A 95 4.409 -17.506 -4.203 1.00 0.00 H new ATOM 0 HB3 ASN A 95 4.526 -19.071 -4.984 1.00 0.00 H new ATOM 0 HD21 ASN A 95 6.795 -20.476 -2.618 1.00 0.00 H new ATOM 0 HD22 ASN A 95 6.143 -20.600 -4.255 1.00 0.00 H new ATOM 1450 N LEU A 96 5.407 -15.942 -7.152 1.00 0.00 N ATOM 1451 CA LEU A 96 4.696 -15.349 -8.289 1.00 0.00 C ATOM 1452 C LEU A 96 3.185 -15.410 -8.073 1.00 0.00 C ATOM 1453 O LEU A 96 2.414 -15.626 -9.011 1.00 0.00 O ATOM 1454 CB LEU A 96 5.076 -16.058 -9.594 1.00 0.00 C ATOM 1455 CG LEU A 96 6.538 -15.895 -10.017 1.00 0.00 C ATOM 1456 CD1 LEU A 96 6.847 -16.767 -11.223 1.00 0.00 C ATOM 1457 CD2 LEU A 96 6.847 -14.437 -10.319 1.00 0.00 C ATOM 0 H LEU A 96 6.031 -15.294 -6.672 1.00 0.00 H new ATOM 0 HA LEU A 96 4.992 -14.303 -8.365 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.860 -17.121 -9.488 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.438 -15.681 -10.394 1.00 0.00 H new ATOM 0 HG LEU A 96 7.172 -16.217 -9.190 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.891 -16.637 -11.508 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.667 -17.812 -10.972 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.205 -16.478 -12.055 1.00 0.00 H new ATOM 0 HD21 LEU A 96 7.891 -14.341 -10.618 1.00 0.00 H new ATOM 0 HD22 LEU A 96 6.204 -14.089 -11.128 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.668 -13.835 -9.428 1.00 0.00 H new ATOM 1469 N GLN A 97 2.770 -15.197 -6.834 1.00 0.00 N ATOM 1470 CA GLN A 97 1.363 -15.248 -6.478 1.00 0.00 C ATOM 1471 C GLN A 97 0.867 -13.899 -5.957 1.00 0.00 C ATOM 1472 O GLN A 97 1.654 -13.088 -5.461 1.00 0.00 O ATOM 1473 CB GLN A 97 1.138 -16.340 -5.421 1.00 0.00 C ATOM 1474 CG GLN A 97 1.286 -15.864 -3.977 1.00 0.00 C ATOM 1475 CD GLN A 97 2.731 -15.758 -3.511 1.00 0.00 C ATOM 1476 OE1 GLN A 97 3.641 -15.483 -4.295 1.00 0.00 O ATOM 1477 NE2 GLN A 97 2.950 -15.967 -2.223 1.00 0.00 N ATOM 0 H GLN A 97 3.393 -14.986 -6.055 1.00 0.00 H new ATOM 0 HA GLN A 97 0.792 -15.485 -7.376 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.139 -16.755 -5.553 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.846 -17.150 -5.598 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.808 -14.890 -3.875 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.752 -16.551 -3.321 1.00 0.00 H new ATOM 0 HE21 GLN A 97 2.172 -16.193 -1.603 1.00 0.00 H new ATOM 0 HE22 GLN A 97 3.897 -15.902 -1.850 1.00 0.00 H new ATOM 1486 N PRO A 98 -0.444 -13.632 -6.084 1.00 0.00 N ATOM 1487 CA PRO A 98 -1.045 -12.394 -5.590 1.00 0.00 C ATOM 1488 C PRO A 98 -1.102 -12.394 -4.064 1.00 0.00 C ATOM 1489 O PRO A 98 -1.912 -13.104 -3.466 1.00 0.00 O ATOM 1490 CB PRO A 98 -2.455 -12.413 -6.187 1.00 0.00 C ATOM 1491 CG PRO A 98 -2.753 -13.854 -6.422 1.00 0.00 C ATOM 1492 CD PRO A 98 -1.436 -14.512 -6.732 1.00 0.00 C ATOM 0 HA PRO A 98 -0.479 -11.506 -5.871 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -3.179 -11.966 -5.505 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -2.498 -11.844 -7.116 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -3.215 -14.304 -5.543 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -3.453 -13.977 -7.248 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -1.392 -15.526 -6.335 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -1.267 -14.583 -7.806 1.00 0.00 H new ATOM 1500 N GLN A 99 -0.238 -11.609 -3.439 1.00 0.00 N ATOM 1501 CA GLN A 99 -0.176 -11.556 -1.985 1.00 0.00 C ATOM 1502 C GLN A 99 -1.188 -10.577 -1.403 1.00 0.00 C ATOM 1503 O GLN A 99 -2.116 -10.974 -0.696 1.00 0.00 O ATOM 1504 CB GLN A 99 1.234 -11.174 -1.531 1.00 0.00 C ATOM 1505 CG GLN A 99 1.950 -12.287 -0.787 1.00 0.00 C ATOM 1506 CD GLN A 99 1.349 -12.567 0.578 1.00 0.00 C ATOM 1507 OE1 GLN A 99 1.299 -13.713 1.020 1.00 0.00 O ATOM 1508 NE2 GLN A 99 0.906 -11.522 1.264 1.00 0.00 N ATOM 0 H GLN A 99 0.429 -11.001 -3.914 1.00 0.00 H new ATOM 0 HA GLN A 99 -0.426 -12.550 -1.614 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.824 -10.891 -2.403 1.00 0.00 H new ATOM 0 HB3 GLN A 99 1.175 -10.296 -0.888 1.00 0.00 H new ATOM 0 HG2 GLN A 99 1.918 -13.197 -1.386 1.00 0.00 H new ATOM 0 HG3 GLN A 99 3.000 -12.021 -0.668 1.00 0.00 H new ATOM 0 HE21 GLN A 99 0.965 -10.586 0.863 1.00 0.00 H new ATOM 0 HE22 GLN A 99 0.506 -11.654 2.193 1.00 0.00 H new ATOM 1517 N CYS A 100 -1.010 -9.301 -1.698 1.00 0.00 N ATOM 1518 CA CYS A 100 -1.897 -8.282 -1.170 1.00 0.00 C ATOM 1519 C CYS A 100 -2.408 -7.367 -2.273 1.00 0.00 C ATOM 1520 O CYS A 100 -1.778 -7.223 -3.320 1.00 0.00 O ATOM 1521 CB CYS A 100 -1.170 -7.484 -0.094 1.00 0.00 C ATOM 1522 SG CYS A 100 -0.445 -8.525 1.195 1.00 0.00 S ATOM 0 H CYS A 100 -0.263 -8.948 -2.297 1.00 0.00 H new ATOM 0 HA CYS A 100 -2.766 -8.770 -0.728 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -0.382 -6.892 -0.560 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -1.868 -6.783 0.364 1.00 0.00 H new ATOM 0 HG CYS A 100 0.117 -7.773 2.095 1.00 0.00 H new ATOM 1528 N ILE A 101 -3.554 -6.756 -2.030 1.00 0.00 N ATOM 1529 CA ILE A 101 -4.173 -5.868 -2.996 1.00 0.00 C ATOM 1530 C ILE A 101 -4.284 -4.450 -2.447 1.00 0.00 C ATOM 1531 O ILE A 101 -4.748 -4.240 -1.322 1.00 0.00 O ATOM 1532 CB ILE A 101 -5.585 -6.361 -3.375 1.00 0.00 C ATOM 1533 CG1 ILE A 101 -5.561 -7.848 -3.739 1.00 0.00 C ATOM 1534 CG2 ILE A 101 -6.133 -5.533 -4.527 1.00 0.00 C ATOM 1535 CD1 ILE A 101 -6.935 -8.479 -3.804 1.00 0.00 C ATOM 0 H ILE A 101 -4.079 -6.861 -1.162 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.536 -5.866 -3.881 1.00 0.00 H new ATOM 0 HB ILE A 101 -6.241 -6.238 -2.513 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -5.069 -7.969 -4.704 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -4.959 -8.383 -3.005 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -7.130 -5.888 -4.788 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -6.187 -4.486 -4.229 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -5.475 -5.631 -5.391 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -6.840 -9.532 -4.067 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -7.423 -8.390 -2.833 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -7.534 -7.970 -4.559 1.00 0.00 H new ATOM 1547 N MET A 102 -3.848 -3.486 -3.240 1.00 0.00 N ATOM 1548 CA MET A 102 -3.919 -2.086 -2.862 1.00 0.00 C ATOM 1549 C MET A 102 -5.212 -1.489 -3.399 1.00 0.00 C ATOM 1550 O MET A 102 -5.228 -0.898 -4.481 1.00 0.00 O ATOM 1551 CB MET A 102 -2.723 -1.310 -3.427 1.00 0.00 C ATOM 1552 CG MET A 102 -1.374 -1.908 -3.070 1.00 0.00 C ATOM 1553 SD MET A 102 -0.756 -1.333 -1.477 1.00 0.00 S ATOM 1554 CE MET A 102 -0.333 0.365 -1.871 1.00 0.00 C ATOM 0 H MET A 102 -3.437 -3.651 -4.159 1.00 0.00 H new ATOM 0 HA MET A 102 -3.896 -2.013 -1.775 1.00 0.00 H new ATOM 0 HB2 MET A 102 -2.813 -1.264 -4.512 1.00 0.00 H new ATOM 0 HB3 MET A 102 -2.763 -0.284 -3.060 1.00 0.00 H new ATOM 0 HG2 MET A 102 -1.456 -2.995 -3.052 1.00 0.00 H new ATOM 0 HG3 MET A 102 -0.653 -1.656 -3.847 1.00 0.00 H new ATOM 0 HE1 MET A 102 0.742 0.507 -1.761 1.00 0.00 H new ATOM 0 HE2 MET A 102 -0.625 0.584 -2.898 1.00 0.00 H new ATOM 0 HE3 MET A 102 -0.859 1.038 -1.193 1.00 0.00 H new ATOM 1564 N CYS A 103 -6.299 -1.685 -2.667 1.00 0.00 N ATOM 1565 CA CYS A 103 -7.594 -1.163 -3.075 1.00 0.00 C ATOM 1566 C CYS A 103 -7.703 0.315 -2.721 1.00 0.00 C ATOM 1567 O CYS A 103 -8.059 0.676 -1.597 1.00 0.00 O ATOM 1568 CB CYS A 103 -8.724 -1.957 -2.413 1.00 0.00 C ATOM 1569 SG CYS A 103 -8.725 -3.719 -2.822 1.00 0.00 S ATOM 0 H CYS A 103 -6.309 -2.202 -1.788 1.00 0.00 H new ATOM 0 HA CYS A 103 -7.687 -1.269 -4.156 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -8.647 -1.846 -1.331 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -9.680 -1.525 -2.710 1.00 0.00 H new ATOM 0 HG CYS A 103 -9.889 -4.228 -2.547 1.00 0.00 H new ATOM 1575 N VAL A 104 -7.362 1.164 -3.676 1.00 0.00 N ATOM 1576 CA VAL A 104 -7.419 2.600 -3.471 1.00 0.00 C ATOM 1577 C VAL A 104 -8.865 3.073 -3.504 1.00 0.00 C ATOM 1578 O VAL A 104 -9.515 3.027 -4.545 1.00 0.00 O ATOM 1579 CB VAL A 104 -6.609 3.365 -4.538 1.00 0.00 C ATOM 1580 CG1 VAL A 104 -6.042 4.650 -3.955 1.00 0.00 C ATOM 1581 CG2 VAL A 104 -5.500 2.493 -5.104 1.00 0.00 C ATOM 0 H VAL A 104 -7.042 0.882 -4.603 1.00 0.00 H new ATOM 0 HA VAL A 104 -6.979 2.808 -2.496 1.00 0.00 H new ATOM 0 HB VAL A 104 -7.281 3.626 -5.356 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -5.473 5.177 -4.721 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.858 5.284 -3.608 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.387 4.411 -3.117 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -4.943 3.054 -5.854 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.827 2.194 -4.301 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -5.934 1.605 -5.563 1.00 0.00 H new ATOM 1591 N ASN A 105 -9.360 3.504 -2.358 1.00 0.00 N ATOM 1592 CA ASN A 105 -10.731 3.977 -2.241 1.00 0.00 C ATOM 1593 C ASN A 105 -10.778 5.494 -2.360 1.00 0.00 C ATOM 1594 O ASN A 105 -10.165 6.208 -1.564 1.00 0.00 O ATOM 1595 CB ASN A 105 -11.334 3.529 -0.908 1.00 0.00 C ATOM 1596 CG ASN A 105 -12.495 2.569 -1.094 1.00 0.00 C ATOM 1597 OD1 ASN A 105 -13.438 2.855 -1.826 1.00 0.00 O ATOM 1598 ND2 ASN A 105 -12.430 1.420 -0.437 1.00 0.00 N ATOM 0 H ASN A 105 -8.829 3.537 -1.487 1.00 0.00 H new ATOM 0 HA ASN A 105 -11.319 3.546 -3.051 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -10.562 3.050 -0.306 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -11.674 4.404 -0.353 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -13.181 0.736 -0.530 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -11.629 1.220 0.162 1.00 0.00 H new ATOM 1605 N TYR A 106 -11.496 5.976 -3.361 1.00 0.00 N ATOM 1606 CA TYR A 106 -11.618 7.408 -3.605 1.00 0.00 C ATOM 1607 C TYR A 106 -13.021 7.895 -3.259 1.00 0.00 C ATOM 1608 O TYR A 106 -14.003 7.449 -3.856 1.00 0.00 O ATOM 1609 CB TYR A 106 -11.334 7.739 -5.077 1.00 0.00 C ATOM 1610 CG TYR A 106 -10.097 7.084 -5.660 1.00 0.00 C ATOM 1611 CD1 TYR A 106 -8.853 7.693 -5.565 1.00 0.00 C ATOM 1612 CD2 TYR A 106 -10.181 5.867 -6.327 1.00 0.00 C ATOM 1613 CE1 TYR A 106 -7.728 7.111 -6.116 1.00 0.00 C ATOM 1614 CE2 TYR A 106 -9.057 5.275 -6.878 1.00 0.00 C ATOM 1615 CZ TYR A 106 -7.834 5.903 -6.772 1.00 0.00 C ATOM 1616 OH TYR A 106 -6.713 5.323 -7.324 1.00 0.00 O ATOM 0 H TYR A 106 -12.008 5.393 -4.024 1.00 0.00 H new ATOM 0 HA TYR A 106 -10.887 7.910 -2.971 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -12.197 7.442 -5.672 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -11.234 8.820 -5.177 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -8.763 8.639 -5.051 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -11.138 5.375 -6.417 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -6.769 7.600 -6.033 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.138 4.326 -7.388 1.00 0.00 H new ATOM 0 HH TYR A 106 -6.959 4.475 -7.749 1.00 0.00 H new ATOM 1626 N VAL A 107 -13.121 8.799 -2.293 1.00 0.00 N ATOM 1627 CA VAL A 107 -14.412 9.352 -1.907 1.00 0.00 C ATOM 1628 C VAL A 107 -14.798 10.464 -2.872 1.00 0.00 C ATOM 1629 O VAL A 107 -14.267 11.571 -2.796 1.00 0.00 O ATOM 1630 CB VAL A 107 -14.392 9.907 -0.467 1.00 0.00 C ATOM 1631 CG1 VAL A 107 -15.759 10.442 -0.074 1.00 0.00 C ATOM 1632 CG2 VAL A 107 -13.941 8.837 0.510 1.00 0.00 C ATOM 0 H VAL A 107 -12.328 9.163 -1.765 1.00 0.00 H new ATOM 0 HA VAL A 107 -15.145 8.546 -1.946 1.00 0.00 H new ATOM 0 HB VAL A 107 -13.680 10.732 -0.432 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -15.720 10.828 0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -16.045 11.244 -0.755 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -16.494 9.639 -0.130 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -13.933 9.247 1.520 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -14.628 7.992 0.467 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -12.938 8.503 0.246 1.00 0.00 H new ATOM 1642 N LEU A 108 -15.695 10.160 -3.795 1.00 0.00 N ATOM 1643 CA LEU A 108 -16.122 11.145 -4.778 1.00 0.00 C ATOM 1644 C LEU A 108 -17.593 11.499 -4.610 1.00 0.00 C ATOM 1645 O LEU A 108 -18.009 12.615 -4.920 1.00 0.00 O ATOM 1646 CB LEU A 108 -15.861 10.629 -6.197 1.00 0.00 C ATOM 1647 CG LEU A 108 -14.385 10.548 -6.600 1.00 0.00 C ATOM 1648 CD1 LEU A 108 -14.255 10.076 -8.039 1.00 0.00 C ATOM 1649 CD2 LEU A 108 -13.705 11.898 -6.415 1.00 0.00 C ATOM 0 H LEU A 108 -16.140 9.246 -3.885 1.00 0.00 H new ATOM 0 HA LEU A 108 -15.539 12.051 -4.615 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -16.302 9.637 -6.293 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -16.379 11.278 -6.903 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.889 9.824 -5.953 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -13.201 10.023 -8.311 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -14.705 9.089 -8.140 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -14.765 10.777 -8.699 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -12.657 11.821 -6.706 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -14.201 12.643 -7.037 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -13.770 12.198 -5.369 1.00 0.00 H new ATOM 1661 N SER A 109 -18.378 10.559 -4.106 1.00 0.00 N ATOM 1662 CA SER A 109 -19.799 10.789 -3.918 1.00 0.00 C ATOM 1663 C SER A 109 -20.155 10.848 -2.436 1.00 0.00 C ATOM 1664 O SER A 109 -19.300 10.647 -1.569 1.00 0.00 O ATOM 1665 CB SER A 109 -20.601 9.696 -4.626 1.00 0.00 C ATOM 1666 OG SER A 109 -20.233 9.601 -5.994 1.00 0.00 O ATOM 0 H SER A 109 -18.055 9.634 -3.821 1.00 0.00 H new ATOM 0 HA SER A 109 -20.055 11.754 -4.356 1.00 0.00 H new ATOM 0 HB2 SER A 109 -20.432 8.739 -4.133 1.00 0.00 H new ATOM 0 HB3 SER A 109 -21.666 9.912 -4.546 1.00 0.00 H new ATOM 0 HG SER A 109 -20.758 8.895 -6.426 1.00 0.00 H new ATOM 1672 N GLU A 110 -21.417 11.136 -2.156 1.00 0.00 N ATOM 1673 CA GLU A 110 -21.900 11.239 -0.789 1.00 0.00 C ATOM 1674 C GLU A 110 -22.517 9.925 -0.318 1.00 0.00 C ATOM 1675 O GLU A 110 -22.418 8.896 -0.994 1.00 0.00 O ATOM 1676 CB GLU A 110 -22.931 12.368 -0.677 1.00 0.00 C ATOM 1677 CG GLU A 110 -24.080 12.256 -1.666 1.00 0.00 C ATOM 1678 CD GLU A 110 -23.780 12.930 -2.988 1.00 0.00 C ATOM 1679 OE1 GLU A 110 -24.060 14.139 -3.119 1.00 0.00 O ATOM 1680 OE2 GLU A 110 -23.255 12.258 -3.901 1.00 0.00 O ATOM 0 H GLU A 110 -22.130 11.304 -2.865 1.00 0.00 H new ATOM 0 HA GLU A 110 -21.047 11.463 -0.149 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -23.336 12.377 0.335 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -22.427 13.323 -0.828 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -24.302 11.203 -1.841 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -24.974 12.702 -1.230 1.00 0.00 H new ATOM 1687 N ILE A 111 -23.152 9.972 0.846 1.00 0.00 N ATOM 1688 CA ILE A 111 -23.793 8.803 1.427 1.00 0.00 C ATOM 1689 C ILE A 111 -25.194 8.637 0.853 1.00 0.00 C ATOM 1690 O ILE A 111 -25.970 9.592 0.808 1.00 0.00 O ATOM 1691 CB ILE A 111 -23.888 8.918 2.965 1.00 0.00 C ATOM 1692 CG1 ILE A 111 -22.583 9.473 3.544 1.00 0.00 C ATOM 1693 CG2 ILE A 111 -24.206 7.563 3.578 1.00 0.00 C ATOM 1694 CD1 ILE A 111 -22.709 9.961 4.972 1.00 0.00 C ATOM 0 H ILE A 111 -23.236 10.818 1.410 1.00 0.00 H new ATOM 0 HA ILE A 111 -23.183 7.934 1.180 1.00 0.00 H new ATOM 0 HB ILE A 111 -24.695 9.609 3.210 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -21.818 8.698 3.501 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -22.239 10.296 2.917 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -24.270 7.660 4.662 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -25.158 7.202 3.189 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -23.418 6.854 3.323 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -21.746 10.339 5.314 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -23.450 10.759 5.020 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -23.022 9.136 5.612 1.00 0.00 H new ATOM 1706 N GLU A 112 -25.505 7.436 0.396 1.00 0.00 N ATOM 1707 CA GLU A 112 -26.809 7.147 -0.176 1.00 0.00 C ATOM 1708 C GLU A 112 -27.750 6.622 0.901 1.00 0.00 C ATOM 1709 O GLU A 112 -27.765 5.395 1.140 1.00 0.00 O ATOM 1710 CB GLU A 112 -26.675 6.127 -1.306 1.00 0.00 C ATOM 1711 CG GLU A 112 -27.951 5.927 -2.105 1.00 0.00 C ATOM 1712 CD GLU A 112 -27.833 4.793 -3.096 1.00 0.00 C ATOM 1713 OE1 GLU A 112 -28.097 3.637 -2.718 1.00 0.00 O ATOM 1714 OE2 GLU A 112 -27.465 5.049 -4.257 1.00 0.00 O ATOM 1715 OXT GLU A 112 -28.466 7.442 1.511 1.00 0.00 O ATOM 0 H GLU A 112 -24.867 6.640 0.410 1.00 0.00 H new ATOM 0 HA GLU A 112 -27.225 8.068 -0.585 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -25.881 6.448 -1.981 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -26.367 5.170 -0.885 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -28.777 5.726 -1.423 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -28.193 6.848 -2.636 1.00 0.00 H new ATOM 1723 N CYS B 7 5.271 -12.207 14.948 1.00 1.33 N ATOM 1724 CA CYS B 7 6.033 -12.582 13.739 1.00 1.38 C ATOM 1725 C CYS B 7 5.879 -11.508 12.668 1.00 1.15 C ATOM 1726 O CYS B 7 4.768 -11.051 12.392 1.00 1.28 O ATOM 1727 CB CYS B 7 5.553 -13.938 13.216 1.00 1.79 C ATOM 1728 SG CYS B 7 3.755 -14.135 13.202 1.00 2.58 S ATOM 0 HA CYS B 7 7.089 -12.664 13.995 1.00 1.38 H new ATOM 0 HB2 CYS B 7 5.930 -14.078 12.203 1.00 1.79 H new ATOM 0 HB3 CYS B 7 5.989 -14.726 13.830 1.00 1.79 H new ATOM 0 HG CYS B 7 3.218 -13.274 14.015 1.00 2.58 H new ATOM 1736 N GLN B 8 6.994 -11.094 12.082 1.00 0.90 N ATOM 1737 CA GLN B 8 6.981 -10.067 11.051 1.00 0.76 C ATOM 1738 C GLN B 8 7.661 -10.567 9.777 1.00 0.65 C ATOM 1739 O GLN B 8 8.883 -10.717 9.732 1.00 0.64 O ATOM 1740 CB GLN B 8 7.673 -8.803 11.569 1.00 0.71 C ATOM 1741 CG GLN B 8 7.070 -8.273 12.862 1.00 0.89 C ATOM 1742 CD GLN B 8 8.116 -7.961 13.914 1.00 1.17 C ATOM 1743 OE1 GLN B 8 8.561 -8.845 14.644 1.00 1.79 O ATOM 1744 NE2 GLN B 8 8.505 -6.702 14.011 1.00 1.90 N ATOM 0 H GLN B 8 7.922 -11.455 12.304 1.00 0.90 H new ATOM 0 HA GLN B 8 5.945 -9.830 10.807 1.00 0.76 H new ATOM 0 HB2 GLN B 8 8.730 -9.016 11.730 1.00 0.71 H new ATOM 0 HB3 GLN B 8 7.617 -8.027 10.805 1.00 0.71 H new ATOM 0 HG2 GLN B 8 6.497 -7.371 12.647 1.00 0.89 H new ATOM 0 HG3 GLN B 8 6.370 -9.008 13.259 1.00 0.89 H new ATOM 0 HE21 GLN B 8 8.112 -5.997 13.387 1.00 1.90 H new ATOM 0 HE22 GLN B 8 9.198 -6.435 14.710 1.00 1.90 H new ATOM 1753 N PRO B 9 6.870 -10.851 8.732 1.00 0.64 N ATOM 1754 CA PRO B 9 7.380 -11.336 7.452 1.00 0.56 C ATOM 1755 C PRO B 9 7.792 -10.199 6.520 1.00 0.44 C ATOM 1756 O PRO B 9 7.678 -9.022 6.873 1.00 0.38 O ATOM 1757 CB PRO B 9 6.177 -12.082 6.882 1.00 0.61 C ATOM 1758 CG PRO B 9 4.994 -11.328 7.394 1.00 0.75 C ATOM 1759 CD PRO B 9 5.400 -10.728 8.720 1.00 0.77 C ATOM 0 HA PRO B 9 8.278 -11.944 7.563 1.00 0.56 H new ATOM 0 HB2 PRO B 9 6.198 -12.096 5.792 1.00 0.61 H new ATOM 0 HB3 PRO B 9 6.160 -13.120 7.213 1.00 0.61 H new ATOM 0 HG2 PRO B 9 4.698 -10.549 6.691 1.00 0.75 H new ATOM 0 HG3 PRO B 9 4.137 -11.990 7.515 1.00 0.75 H new ATOM 0 HD2 PRO B 9 5.086 -9.687 8.800 1.00 0.77 H new ATOM 0 HD3 PRO B 9 4.948 -11.263 9.555 1.00 0.77 H new ATOM 1767 N THR B 10 8.260 -10.553 5.326 1.00 0.43 N ATOM 1768 CA THR B 10 8.678 -9.561 4.340 1.00 0.37 C ATOM 1769 C THR B 10 7.473 -8.957 3.616 1.00 0.31 C ATOM 1770 O THR B 10 7.374 -9.012 2.390 1.00 0.39 O ATOM 1771 CB THR B 10 9.635 -10.172 3.299 1.00 0.46 C ATOM 1772 OG1 THR B 10 10.350 -11.273 3.875 1.00 0.88 O ATOM 1773 CG2 THR B 10 10.623 -9.130 2.798 1.00 0.62 C ATOM 0 H THR B 10 8.359 -11.520 5.018 1.00 0.43 H new ATOM 0 HA THR B 10 9.200 -8.775 4.886 1.00 0.37 H new ATOM 0 HB THR B 10 9.041 -10.526 2.456 1.00 0.46 H new ATOM 0 HG1 THR B 10 11.292 -11.028 3.989 1.00 0.88 H new ATOM 0 HG21 THR B 10 11.289 -9.583 2.064 1.00 0.62 H new ATOM 0 HG22 THR B 10 10.080 -8.306 2.335 1.00 0.62 H new ATOM 0 HG23 THR B 10 11.210 -8.752 3.636 1.00 0.62 H new ATOM 1781 N GLU B 11 6.560 -8.399 4.390 1.00 0.30 N ATOM 1782 CA GLU B 11 5.362 -7.775 3.859 1.00 0.31 C ATOM 1783 C GLU B 11 4.917 -6.687 4.821 1.00 0.27 C ATOM 1784 O GLU B 11 4.481 -6.979 5.934 1.00 0.31 O ATOM 1785 CB GLU B 11 4.257 -8.816 3.675 1.00 0.45 C ATOM 1786 CG GLU B 11 3.486 -8.662 2.375 1.00 1.13 C ATOM 1787 CD GLU B 11 2.682 -7.381 2.322 1.00 1.36 C ATOM 1788 OE1 GLU B 11 1.581 -7.344 2.905 1.00 1.65 O ATOM 1789 OE2 GLU B 11 3.138 -6.409 1.690 1.00 1.83 O ATOM 0 H GLU B 11 6.629 -8.366 5.407 1.00 0.30 H new ATOM 0 HA GLU B 11 5.573 -7.337 2.883 1.00 0.31 H new ATOM 0 HB2 GLU B 11 4.698 -9.812 3.710 1.00 0.45 H new ATOM 0 HB3 GLU B 11 3.561 -8.746 4.511 1.00 0.45 H new ATOM 0 HG2 GLU B 11 4.184 -8.683 1.538 1.00 1.13 H new ATOM 0 HG3 GLU B 11 2.816 -9.513 2.252 1.00 1.13 H new ATOM 1796 N PHE B 12 5.058 -5.439 4.405 1.00 0.30 N ATOM 1797 CA PHE B 12 4.694 -4.313 5.249 1.00 0.30 C ATOM 1798 C PHE B 12 4.443 -3.060 4.416 1.00 0.27 C ATOM 1799 O PHE B 12 4.881 -2.966 3.266 1.00 0.33 O ATOM 1800 CB PHE B 12 5.792 -4.052 6.290 1.00 0.35 C ATOM 1801 CG PHE B 12 7.195 -4.045 5.742 1.00 0.34 C ATOM 1802 CD1 PHE B 12 7.923 -5.222 5.656 1.00 0.39 C ATOM 1803 CD2 PHE B 12 7.789 -2.864 5.325 1.00 0.42 C ATOM 1804 CE1 PHE B 12 9.212 -5.223 5.162 1.00 0.42 C ATOM 1805 CE2 PHE B 12 9.080 -2.859 4.832 1.00 0.45 C ATOM 1806 CZ PHE B 12 9.791 -4.041 4.751 1.00 0.40 C ATOM 0 H PHE B 12 5.422 -5.180 3.488 1.00 0.30 H new ATOM 0 HA PHE B 12 3.768 -4.563 5.767 1.00 0.30 H new ATOM 0 HB2 PHE B 12 5.599 -3.091 6.768 1.00 0.35 H new ATOM 0 HB3 PHE B 12 5.725 -4.813 7.067 1.00 0.35 H new ATOM 0 HD1 PHE B 12 7.476 -6.150 5.980 1.00 0.39 H new ATOM 0 HD2 PHE B 12 7.237 -1.938 5.386 1.00 0.42 H new ATOM 0 HE1 PHE B 12 9.766 -6.148 5.098 1.00 0.42 H new ATOM 0 HE2 PHE B 12 9.533 -1.933 4.511 1.00 0.45 H new ATOM 0 HZ PHE B 12 10.800 -4.039 4.366 1.00 0.40 H new ATOM 1816 N ILE B 13 3.748 -2.096 5.004 1.00 0.27 N ATOM 1817 CA ILE B 13 3.433 -0.854 4.316 1.00 0.27 C ATOM 1818 C ILE B 13 4.296 0.294 4.831 1.00 0.29 C ATOM 1819 O ILE B 13 4.191 0.704 5.985 1.00 0.35 O ATOM 1820 CB ILE B 13 1.934 -0.498 4.470 1.00 0.36 C ATOM 1821 CG1 ILE B 13 1.082 -1.429 3.603 1.00 0.98 C ATOM 1822 CG2 ILE B 13 1.668 0.958 4.107 1.00 0.85 C ATOM 1823 CD1 ILE B 13 1.392 -1.323 2.126 1.00 1.40 C ATOM 0 H ILE B 13 3.391 -2.152 5.958 1.00 0.27 H new ATOM 0 HA ILE B 13 3.649 -1.003 3.258 1.00 0.27 H new ATOM 0 HB ILE B 13 1.660 -0.634 5.516 1.00 0.36 H new ATOM 0 HG12 ILE B 13 1.237 -2.458 3.927 1.00 0.98 H new ATOM 0 HG13 ILE B 13 0.028 -1.200 3.763 1.00 0.98 H new ATOM 0 HG21 ILE B 13 0.606 1.175 4.226 1.00 0.85 H new ATOM 0 HG22 ILE B 13 2.247 1.608 4.763 1.00 0.85 H new ATOM 0 HG23 ILE B 13 1.960 1.134 3.072 1.00 0.85 H new ATOM 0 HD11 ILE B 13 0.753 -2.009 1.570 1.00 1.40 H new ATOM 0 HD12 ILE B 13 1.210 -0.303 1.788 1.00 1.40 H new ATOM 0 HD13 ILE B 13 2.437 -1.581 1.954 1.00 1.40 H new ATOM 1835 N SER B 14 5.160 0.801 3.969 1.00 0.34 N ATOM 1836 CA SER B 14 6.031 1.900 4.330 1.00 0.42 C ATOM 1837 C SER B 14 5.575 3.186 3.645 1.00 0.35 C ATOM 1838 O SER B 14 5.620 3.301 2.418 1.00 0.40 O ATOM 1839 CB SER B 14 7.468 1.563 3.941 1.00 0.54 C ATOM 1840 OG SER B 14 7.750 0.197 4.199 1.00 1.47 O ATOM 0 H SER B 14 5.275 0.466 3.012 1.00 0.34 H new ATOM 0 HA SER B 14 5.984 2.055 5.408 1.00 0.42 H new ATOM 0 HB2 SER B 14 7.624 1.778 2.884 1.00 0.54 H new ATOM 0 HB3 SER B 14 8.159 2.194 4.500 1.00 0.54 H new ATOM 0 HG SER B 14 8.675 -0.000 3.942 1.00 1.47 H new ATOM 1846 N ARG B 15 5.115 4.140 4.440 1.00 0.31 N ATOM 1847 CA ARG B 15 4.652 5.415 3.916 1.00 0.31 C ATOM 1848 C ARG B 15 5.773 6.448 3.985 1.00 0.27 C ATOM 1849 O ARG B 15 6.164 6.885 5.068 1.00 0.29 O ATOM 1850 CB ARG B 15 3.428 5.900 4.704 1.00 0.42 C ATOM 1851 CG ARG B 15 2.222 4.977 4.588 1.00 0.54 C ATOM 1852 CD ARG B 15 1.296 5.102 5.789 1.00 0.90 C ATOM 1853 NE ARG B 15 0.171 6.009 5.552 1.00 1.40 N ATOM 1854 CZ ARG B 15 -0.467 6.671 6.521 1.00 1.85 C ATOM 1855 NH1 ARG B 15 -0.057 6.576 7.777 1.00 2.03 N ATOM 1856 NH2 ARG B 15 -1.518 7.426 6.237 1.00 2.69 N ATOM 0 H ARG B 15 5.052 4.054 5.454 1.00 0.31 H new ATOM 0 HA ARG B 15 4.362 5.283 2.873 1.00 0.31 H new ATOM 0 HB2 ARG B 15 3.699 5.999 5.755 1.00 0.42 H new ATOM 0 HB3 ARG B 15 3.150 6.893 4.352 1.00 0.42 H new ATOM 0 HG2 ARG B 15 1.670 5.213 3.678 1.00 0.54 H new ATOM 0 HG3 ARG B 15 2.562 3.945 4.497 1.00 0.54 H new ATOM 0 HD2 ARG B 15 0.912 4.116 6.049 1.00 0.90 H new ATOM 0 HD3 ARG B 15 1.868 5.457 6.646 1.00 0.90 H new ATOM 0 HE ARG B 15 -0.144 6.143 4.591 1.00 1.40 H new ATOM 0 HH11 ARG B 15 0.749 5.995 8.008 1.00 2.03 H new ATOM 0 HH12 ARG B 15 -0.548 7.083 8.513 1.00 2.03 H new ATOM 0 HH21 ARG B 15 -1.844 7.504 5.274 1.00 2.69 H new ATOM 0 HH22 ARG B 15 -2.001 7.929 6.982 1.00 2.69 H new ATOM 1870 N HIS B 16 6.306 6.811 2.828 1.00 0.28 N ATOM 1871 CA HIS B 16 7.382 7.792 2.753 1.00 0.28 C ATOM 1872 C HIS B 16 7.058 8.837 1.699 1.00 0.32 C ATOM 1873 O HIS B 16 6.329 8.557 0.752 1.00 0.40 O ATOM 1874 CB HIS B 16 8.724 7.115 2.425 1.00 0.32 C ATOM 1875 CG HIS B 16 8.819 6.568 1.028 1.00 0.36 C ATOM 1876 ND1 HIS B 16 8.658 5.312 0.555 1.00 0.54 N flip ATOM 1877 CD2 HIS B 16 9.114 7.351 -0.069 1.00 0.75 C flip ATOM 1878 CE1 HIS B 16 8.855 5.359 -0.804 1.00 0.46 C flip ATOM 1879 NE2 HIS B 16 9.131 6.601 -1.152 1.00 0.61 N flip ATOM 0 H HIS B 16 6.011 6.440 1.925 1.00 0.28 H new ATOM 0 HA HIS B 16 7.472 8.275 3.726 1.00 0.28 H new ATOM 0 HB2 HIS B 16 9.527 7.837 2.575 1.00 0.32 H new ATOM 0 HB3 HIS B 16 8.889 6.302 3.132 1.00 0.32 H new ATOM 0 HD2 HIS B 16 9.302 8.414 -0.044 1.00 0.75 H new ATOM 0 HE1 HIS B 16 8.794 4.517 -1.477 1.00 0.46 H new ATOM 0 HE2 HIS B 16 9.325 6.926 -2.099 1.00 0.61 H new ATOM 1888 N ASN B 17 7.614 10.025 1.846 1.00 0.31 N ATOM 1889 CA ASN B 17 7.365 11.092 0.889 1.00 0.39 C ATOM 1890 C ASN B 17 8.237 10.915 -0.359 1.00 0.35 C ATOM 1891 O ASN B 17 9.101 10.030 -0.399 1.00 0.32 O ATOM 1892 CB ASN B 17 7.573 12.463 1.547 1.00 0.49 C ATOM 1893 CG ASN B 17 8.995 12.984 1.470 1.00 0.95 C ATOM 1894 OD1 ASN B 17 9.969 12.228 1.507 1.00 2.04 O ATOM 1895 ND2 ASN B 17 9.116 14.294 1.362 1.00 0.59 N ATOM 0 H ASN B 17 8.237 10.277 2.613 1.00 0.31 H new ATOM 0 HA ASN B 17 6.325 11.039 0.566 1.00 0.39 H new ATOM 0 HB2 ASN B 17 6.908 13.185 1.073 1.00 0.49 H new ATOM 0 HB3 ASN B 17 7.279 12.398 2.594 1.00 0.49 H new ATOM 0 HD21 ASN B 17 10.042 14.718 1.306 1.00 0.59 H new ATOM 0 HD22 ASN B 17 8.283 14.883 1.335 1.00 0.59 H new ATOM 1902 N ILE B 18 8.009 11.752 -1.369 1.00 0.40 N ATOM 1903 CA ILE B 18 8.744 11.675 -2.639 1.00 0.45 C ATOM 1904 C ILE B 18 10.258 11.844 -2.475 1.00 0.44 C ATOM 1905 O ILE B 18 11.028 11.372 -3.310 1.00 0.52 O ATOM 1906 CB ILE B 18 8.232 12.719 -3.654 1.00 0.53 C ATOM 1907 CG1 ILE B 18 8.317 14.130 -3.067 1.00 0.59 C ATOM 1908 CG2 ILE B 18 6.805 12.390 -4.069 1.00 0.57 C ATOM 1909 CD1 ILE B 18 8.098 15.219 -4.092 1.00 0.70 C ATOM 0 H ILE B 18 7.316 12.499 -1.336 1.00 0.40 H new ATOM 0 HA ILE B 18 8.557 10.669 -3.015 1.00 0.45 H new ATOM 0 HB ILE B 18 8.866 12.685 -4.540 1.00 0.53 H new ATOM 0 HG12 ILE B 18 7.575 14.232 -2.275 1.00 0.59 H new ATOM 0 HG13 ILE B 18 9.295 14.266 -2.606 1.00 0.59 H new ATOM 0 HG21 ILE B 18 6.454 13.133 -4.785 1.00 0.57 H new ATOM 0 HG22 ILE B 18 6.778 11.402 -4.529 1.00 0.57 H new ATOM 0 HG23 ILE B 18 6.159 12.399 -3.191 1.00 0.57 H new ATOM 0 HD11 ILE B 18 8.172 16.193 -3.609 1.00 0.70 H new ATOM 0 HD12 ILE B 18 8.856 15.142 -4.872 1.00 0.70 H new ATOM 0 HD13 ILE B 18 7.108 15.108 -4.535 1.00 0.70 H new ATOM 1921 N GLU B 19 10.684 12.508 -1.407 1.00 0.41 N ATOM 1922 CA GLU B 19 12.110 12.725 -1.161 1.00 0.45 C ATOM 1923 C GLU B 19 12.774 11.450 -0.656 1.00 0.41 C ATOM 1924 O GLU B 19 13.996 11.302 -0.711 1.00 0.51 O ATOM 1925 CB GLU B 19 12.317 13.840 -0.139 1.00 0.50 C ATOM 1926 CG GLU B 19 11.852 15.203 -0.618 1.00 0.65 C ATOM 1927 CD GLU B 19 11.754 16.202 0.512 1.00 1.21 C ATOM 1928 OE1 GLU B 19 12.805 16.599 1.057 1.00 1.28 O ATOM 1929 OE2 GLU B 19 10.624 16.582 0.872 1.00 1.92 O ATOM 0 H GLU B 19 10.067 12.905 -0.698 1.00 0.41 H new ATOM 0 HA GLU B 19 12.568 13.014 -2.107 1.00 0.45 H new ATOM 0 HB2 GLU B 19 11.783 13.585 0.776 1.00 0.50 H new ATOM 0 HB3 GLU B 19 13.376 13.896 0.115 1.00 0.50 H new ATOM 0 HG2 GLU B 19 12.544 15.577 -1.372 1.00 0.65 H new ATOM 0 HG3 GLU B 19 10.879 15.105 -1.099 1.00 0.65 H new ATOM 1936 N GLY B 20 11.963 10.532 -0.160 1.00 0.33 N ATOM 1937 CA GLY B 20 12.485 9.290 0.360 1.00 0.32 C ATOM 1938 C GLY B 20 12.460 9.260 1.870 1.00 0.29 C ATOM 1939 O GLY B 20 12.915 8.296 2.483 1.00 0.34 O ATOM 0 H GLY B 20 10.949 10.626 -0.108 1.00 0.33 H new ATOM 0 HA2 GLY B 20 11.899 8.458 -0.030 1.00 0.32 H new ATOM 0 HA3 GLY B 20 13.508 9.151 0.010 1.00 0.32 H new ATOM 1943 N ILE B 21 11.925 10.320 2.461 1.00 0.27 N ATOM 1944 CA ILE B 21 11.827 10.433 3.907 1.00 0.28 C ATOM 1945 C ILE B 21 10.612 9.663 4.401 1.00 0.27 C ATOM 1946 O ILE B 21 9.491 9.911 3.955 1.00 0.31 O ATOM 1947 CB ILE B 21 11.702 11.908 4.346 1.00 0.32 C ATOM 1948 CG1 ILE B 21 12.939 12.706 3.914 1.00 0.37 C ATOM 1949 CG2 ILE B 21 11.497 12.008 5.853 1.00 0.41 C ATOM 1950 CD1 ILE B 21 14.197 12.349 4.679 1.00 0.47 C ATOM 0 H ILE B 21 11.549 11.121 1.953 1.00 0.27 H new ATOM 0 HA ILE B 21 12.737 10.017 4.339 1.00 0.28 H new ATOM 0 HB ILE B 21 10.828 12.337 3.855 1.00 0.32 H new ATOM 0 HG12 ILE B 21 13.113 12.541 2.851 1.00 0.37 H new ATOM 0 HG13 ILE B 21 12.737 13.769 4.043 1.00 0.37 H new ATOM 0 HG21 ILE B 21 11.412 13.056 6.140 1.00 0.41 H new ATOM 0 HG22 ILE B 21 10.585 11.480 6.132 1.00 0.41 H new ATOM 0 HG23 ILE B 21 12.348 11.560 6.366 1.00 0.41 H new ATOM 0 HD11 ILE B 21 15.027 12.955 4.317 1.00 0.47 H new ATOM 0 HD12 ILE B 21 14.044 12.541 5.741 1.00 0.47 H new ATOM 0 HD13 ILE B 21 14.426 11.294 4.531 1.00 0.47 H new ATOM 1962 N PHE B 22 10.840 8.719 5.297 1.00 0.25 N ATOM 1963 CA PHE B 22 9.759 7.914 5.845 1.00 0.27 C ATOM 1964 C PHE B 22 8.957 8.706 6.873 1.00 0.28 C ATOM 1965 O PHE B 22 9.486 9.125 7.905 1.00 0.35 O ATOM 1966 CB PHE B 22 10.311 6.632 6.471 1.00 0.31 C ATOM 1967 CG PHE B 22 10.759 5.618 5.456 1.00 0.33 C ATOM 1968 CD1 PHE B 22 12.043 5.659 4.934 1.00 0.38 C ATOM 1969 CD2 PHE B 22 9.892 4.631 5.016 1.00 0.36 C ATOM 1970 CE1 PHE B 22 12.452 4.734 3.994 1.00 0.45 C ATOM 1971 CE2 PHE B 22 10.298 3.702 4.077 1.00 0.44 C ATOM 1972 CZ PHE B 22 11.579 3.754 3.565 1.00 0.46 C ATOM 0 H PHE B 22 11.765 8.490 5.662 1.00 0.25 H new ATOM 0 HA PHE B 22 9.090 7.643 5.028 1.00 0.27 H new ATOM 0 HB2 PHE B 22 11.152 6.885 7.117 1.00 0.31 H new ATOM 0 HB3 PHE B 22 9.544 6.187 7.105 1.00 0.31 H new ATOM 0 HD1 PHE B 22 12.731 6.423 5.266 1.00 0.38 H new ATOM 0 HD2 PHE B 22 8.888 4.587 5.411 1.00 0.36 H new ATOM 0 HE1 PHE B 22 13.454 4.777 3.594 1.00 0.45 H new ATOM 0 HE2 PHE B 22 9.614 2.936 3.744 1.00 0.44 H new ATOM 0 HZ PHE B 22 11.898 3.029 2.830 1.00 0.46 H new ATOM 1982 N THR B 23 7.687 8.924 6.572 1.00 0.27 N ATOM 1983 CA THR B 23 6.803 9.656 7.460 1.00 0.30 C ATOM 1984 C THR B 23 6.082 8.702 8.410 1.00 0.27 C ATOM 1985 O THR B 23 5.834 9.027 9.575 1.00 0.33 O ATOM 1986 CB THR B 23 5.775 10.460 6.649 1.00 0.42 C ATOM 1987 OG1 THR B 23 5.659 9.903 5.331 1.00 1.35 O ATOM 1988 CG2 THR B 23 6.180 11.925 6.552 1.00 1.14 C ATOM 0 H THR B 23 7.244 8.601 5.712 1.00 0.27 H new ATOM 0 HA THR B 23 7.408 10.345 8.049 1.00 0.30 H new ATOM 0 HB THR B 23 4.814 10.403 7.160 1.00 0.42 H new ATOM 0 HG1 THR B 23 5.002 10.416 4.816 1.00 1.35 H new ATOM 0 HG21 THR B 23 5.435 12.471 5.973 1.00 1.14 H new ATOM 0 HG22 THR B 23 6.245 12.351 7.553 1.00 1.14 H new ATOM 0 HG23 THR B 23 7.150 12.003 6.061 1.00 1.14 H new ATOM 1996 N PHE B 24 5.749 7.522 7.906 1.00 0.25 N ATOM 1997 CA PHE B 24 5.072 6.510 8.701 1.00 0.28 C ATOM 1998 C PHE B 24 5.556 5.124 8.298 1.00 0.26 C ATOM 1999 O PHE B 24 5.272 4.649 7.198 1.00 0.27 O ATOM 2000 CB PHE B 24 3.555 6.613 8.535 1.00 0.36 C ATOM 2001 CG PHE B 24 2.789 5.927 9.630 1.00 0.46 C ATOM 2002 CD1 PHE B 24 2.582 6.558 10.845 1.00 0.59 C ATOM 2003 CD2 PHE B 24 2.278 4.652 9.446 1.00 0.51 C ATOM 2004 CE1 PHE B 24 1.882 5.932 11.857 1.00 0.71 C ATOM 2005 CE2 PHE B 24 1.576 4.021 10.454 1.00 0.61 C ATOM 2006 CZ PHE B 24 1.377 4.662 11.661 1.00 0.70 C ATOM 0 H PHE B 24 5.939 7.242 6.944 1.00 0.25 H new ATOM 0 HA PHE B 24 5.310 6.678 9.751 1.00 0.28 H new ATOM 0 HB2 PHE B 24 3.270 7.665 8.506 1.00 0.36 H new ATOM 0 HB3 PHE B 24 3.271 6.179 7.576 1.00 0.36 H new ATOM 0 HD1 PHE B 24 2.973 7.552 11.003 1.00 0.59 H new ATOM 0 HD2 PHE B 24 2.430 4.146 8.504 1.00 0.51 H new ATOM 0 HE1 PHE B 24 1.730 6.435 12.801 1.00 0.71 H new ATOM 0 HE2 PHE B 24 1.183 3.027 10.299 1.00 0.61 H new ATOM 0 HZ PHE B 24 0.827 4.171 12.450 1.00 0.70 H new ATOM 2016 N VAL B 25 6.294 4.489 9.189 1.00 0.26 N ATOM 2017 CA VAL B 25 6.833 3.165 8.925 1.00 0.27 C ATOM 2018 C VAL B 25 5.949 2.080 9.534 1.00 0.26 C ATOM 2019 O VAL B 25 5.213 2.323 10.494 1.00 0.25 O ATOM 2020 CB VAL B 25 8.274 3.026 9.474 1.00 0.34 C ATOM 2021 CG1 VAL B 25 8.986 1.839 8.846 1.00 0.74 C ATOM 2022 CG2 VAL B 25 9.068 4.300 9.231 1.00 0.78 C ATOM 0 H VAL B 25 6.535 4.868 10.105 1.00 0.26 H new ATOM 0 HA VAL B 25 6.855 3.038 7.843 1.00 0.27 H new ATOM 0 HB VAL B 25 8.205 2.856 10.548 1.00 0.34 H new ATOM 0 HG11 VAL B 25 9.996 1.765 9.250 1.00 0.74 H new ATOM 0 HG12 VAL B 25 8.437 0.925 9.072 1.00 0.74 H new ATOM 0 HG13 VAL B 25 9.036 1.975 7.766 1.00 0.74 H new ATOM 0 HG21 VAL B 25 10.077 4.180 9.625 1.00 0.78 H new ATOM 0 HG22 VAL B 25 9.117 4.499 8.161 1.00 0.78 H new ATOM 0 HG23 VAL B 25 8.579 5.135 9.733 1.00 0.78 H new ATOM 2032 N ASP B 26 6.023 0.889 8.955 1.00 0.27 N ATOM 2033 CA ASP B 26 5.256 -0.260 9.419 1.00 0.29 C ATOM 2034 C ASP B 26 5.898 -0.843 10.682 1.00 0.24 C ATOM 2035 O ASP B 26 6.688 -0.177 11.353 1.00 0.22 O ATOM 2036 CB ASP B 26 5.212 -1.315 8.302 1.00 0.39 C ATOM 2037 CG ASP B 26 4.100 -2.337 8.464 1.00 0.48 C ATOM 2038 OD1 ASP B 26 4.322 -3.362 9.147 1.00 0.78 O ATOM 2039 OD2 ASP B 26 3.017 -2.143 7.884 1.00 0.72 O ATOM 0 H ASP B 26 6.617 0.692 8.150 1.00 0.27 H new ATOM 0 HA ASP B 26 4.240 0.049 9.664 1.00 0.29 H new ATOM 0 HB2 ASP B 26 5.091 -0.810 7.343 1.00 0.39 H new ATOM 0 HB3 ASP B 26 6.169 -1.836 8.270 1.00 0.39 H new ATOM 2044 N HIS B 27 5.557 -2.078 11.007 1.00 0.26 N ATOM 2045 CA HIS B 27 6.104 -2.748 12.175 1.00 0.26 C ATOM 2046 C HIS B 27 6.750 -4.068 11.762 1.00 0.23 C ATOM 2047 O HIS B 27 7.618 -4.595 12.456 1.00 0.26 O ATOM 2048 CB HIS B 27 5.005 -3.002 13.212 1.00 0.34 C ATOM 2049 CG HIS B 27 4.424 -1.753 13.800 1.00 0.50 C ATOM 2050 ND1 HIS B 27 3.128 -1.345 13.574 1.00 0.70 N ATOM 2051 CD2 HIS B 27 4.975 -0.817 14.605 1.00 0.66 C ATOM 2052 CE1 HIS B 27 2.908 -0.213 14.216 1.00 0.86 C ATOM 2053 NE2 HIS B 27 4.013 0.131 14.851 1.00 0.83 N ATOM 0 H HIS B 27 4.897 -2.642 10.472 1.00 0.26 H new ATOM 0 HA HIS B 27 6.861 -2.105 12.624 1.00 0.26 H new ATOM 0 HB2 HIS B 27 4.206 -3.578 12.746 1.00 0.34 H new ATOM 0 HB3 HIS B 27 5.413 -3.615 14.016 1.00 0.34 H new ATOM 0 HD2 HIS B 27 5.986 -0.815 14.985 1.00 0.66 H new ATOM 0 HE1 HIS B 27 1.980 0.339 14.221 1.00 0.86 H new ATOM 0 HE2 HIS B 27 4.132 0.963 15.429 1.00 0.83 H new ATOM 2062 N ARG B 28 6.340 -4.585 10.607 1.00 0.24 N ATOM 2063 CA ARG B 28 6.866 -5.848 10.095 1.00 0.27 C ATOM 2064 C ARG B 28 8.229 -5.659 9.434 1.00 0.24 C ATOM 2065 O ARG B 28 8.871 -6.623 9.019 1.00 0.28 O ATOM 2066 CB ARG B 28 5.880 -6.464 9.100 1.00 0.35 C ATOM 2067 CG ARG B 28 4.630 -7.030 9.758 1.00 0.48 C ATOM 2068 CD ARG B 28 3.431 -6.980 8.825 1.00 0.56 C ATOM 2069 NE ARG B 28 2.910 -5.622 8.670 1.00 0.99 N ATOM 2070 CZ ARG B 28 1.617 -5.322 8.591 1.00 1.26 C ATOM 2071 NH1 ARG B 28 0.700 -6.281 8.653 1.00 1.61 N ATOM 2072 NH2 ARG B 28 1.242 -4.059 8.442 1.00 1.87 N ATOM 0 H ARG B 28 5.642 -4.147 10.005 1.00 0.24 H new ATOM 0 HA ARG B 28 6.995 -6.524 10.940 1.00 0.27 H new ATOM 0 HB2 ARG B 28 5.587 -5.706 8.374 1.00 0.35 H new ATOM 0 HB3 ARG B 28 6.382 -7.258 8.547 1.00 0.35 H new ATOM 0 HG2 ARG B 28 4.813 -8.061 10.060 1.00 0.48 H new ATOM 0 HG3 ARG B 28 4.409 -6.467 10.665 1.00 0.48 H new ATOM 0 HD2 ARG B 28 3.716 -7.372 7.849 1.00 0.56 H new ATOM 0 HD3 ARG B 28 2.644 -7.628 9.212 1.00 0.56 H new ATOM 0 HE ARG B 28 3.582 -4.856 8.619 1.00 0.99 H new ATOM 0 HH11 ARG B 28 0.986 -7.254 8.762 1.00 1.61 H new ATOM 0 HH12 ARG B 28 -0.290 -6.044 8.592 1.00 1.61 H new ATOM 0 HH21 ARG B 28 1.944 -3.321 8.388 1.00 1.87 H new ATOM 0 HH22 ARG B 28 0.251 -3.825 8.381 1.00 1.87 H new ATOM 2086 N CYS B 29 8.674 -4.415 9.355 1.00 0.21 N ATOM 2087 CA CYS B 29 9.959 -4.093 8.747 1.00 0.22 C ATOM 2088 C CYS B 29 11.119 -4.502 9.653 1.00 0.22 C ATOM 2089 O CYS B 29 12.210 -4.822 9.175 1.00 0.25 O ATOM 2090 CB CYS B 29 10.026 -2.594 8.463 1.00 0.27 C ATOM 2091 SG CYS B 29 9.296 -1.581 9.770 1.00 1.34 S ATOM 0 H CYS B 29 8.162 -3.606 9.706 1.00 0.21 H new ATOM 0 HA CYS B 29 10.048 -4.651 7.815 1.00 0.22 H new ATOM 0 HB2 CYS B 29 11.068 -2.304 8.328 1.00 0.27 H new ATOM 0 HB3 CYS B 29 9.513 -2.387 7.524 1.00 0.27 H new ATOM 0 HG CYS B 29 9.097 -2.313 10.826 1.00 1.34 H new ATOM 2097 N VAL B 30 10.859 -4.510 10.959 1.00 0.24 N ATOM 2098 CA VAL B 30 11.869 -4.853 11.959 1.00 0.31 C ATOM 2099 C VAL B 30 12.482 -6.229 11.706 1.00 0.33 C ATOM 2100 O VAL B 30 13.699 -6.361 11.588 1.00 0.38 O ATOM 2101 CB VAL B 30 11.275 -4.820 13.382 1.00 0.39 C ATOM 2102 CG1 VAL B 30 12.339 -5.146 14.420 1.00 1.01 C ATOM 2103 CG2 VAL B 30 10.650 -3.464 13.662 1.00 0.92 C ATOM 0 H VAL B 30 9.947 -4.280 11.353 1.00 0.24 H new ATOM 0 HA VAL B 30 12.655 -4.102 11.874 1.00 0.31 H new ATOM 0 HB VAL B 30 10.496 -5.580 13.447 1.00 0.39 H new ATOM 0 HG11 VAL B 30 11.897 -5.117 15.416 1.00 1.01 H new ATOM 0 HG12 VAL B 30 12.740 -6.142 14.230 1.00 1.01 H new ATOM 0 HG13 VAL B 30 13.144 -4.413 14.359 1.00 1.01 H new ATOM 0 HG21 VAL B 30 10.235 -3.456 14.670 1.00 0.92 H new ATOM 0 HG22 VAL B 30 11.411 -2.688 13.576 1.00 0.92 H new ATOM 0 HG23 VAL B 30 9.855 -3.274 12.941 1.00 0.92 H new ATOM 2113 N ALA B 31 11.637 -7.245 11.590 1.00 0.34 N ATOM 2114 CA ALA B 31 12.112 -8.611 11.366 1.00 0.40 C ATOM 2115 C ALA B 31 12.459 -8.862 9.898 1.00 0.39 C ATOM 2116 O ALA B 31 12.635 -10.007 9.477 1.00 0.45 O ATOM 2117 CB ALA B 31 11.079 -9.616 11.849 1.00 0.46 C ATOM 0 H ALA B 31 10.623 -7.154 11.646 1.00 0.34 H new ATOM 0 HA ALA B 31 13.028 -8.738 11.943 1.00 0.40 H new ATOM 0 HB1 ALA B 31 11.447 -10.627 11.676 1.00 0.46 H new ATOM 0 HB2 ALA B 31 10.902 -9.472 12.915 1.00 0.46 H new ATOM 0 HB3 ALA B 31 10.147 -9.470 11.303 1.00 0.46 H new ATOM 2123 N THR B 32 12.578 -7.791 9.129 1.00 0.36 N ATOM 2124 CA THR B 32 12.902 -7.899 7.720 1.00 0.38 C ATOM 2125 C THR B 32 14.271 -7.283 7.418 1.00 0.42 C ATOM 2126 O THR B 32 15.211 -7.991 7.058 1.00 0.48 O ATOM 2127 CB THR B 32 11.816 -7.225 6.855 1.00 0.37 C ATOM 2128 OG1 THR B 32 10.564 -7.905 7.036 1.00 0.36 O ATOM 2129 CG2 THR B 32 12.197 -7.240 5.382 1.00 0.44 C ATOM 0 H THR B 32 12.454 -6.835 9.461 1.00 0.36 H new ATOM 0 HA THR B 32 12.940 -8.960 7.471 1.00 0.38 H new ATOM 0 HB THR B 32 11.723 -6.187 7.173 1.00 0.37 H new ATOM 0 HG1 THR B 32 10.039 -7.446 7.724 1.00 0.36 H new ATOM 0 HG21 THR B 32 11.413 -6.758 4.798 1.00 0.44 H new ATOM 0 HG22 THR B 32 13.135 -6.702 5.243 1.00 0.44 H new ATOM 0 HG23 THR B 32 12.317 -8.271 5.048 1.00 0.44 H new ATOM 2137 N VAL B 33 14.396 -5.972 7.607 1.00 0.42 N ATOM 2138 CA VAL B 33 15.650 -5.280 7.320 1.00 0.52 C ATOM 2139 C VAL B 33 16.483 -5.074 8.579 1.00 0.57 C ATOM 2140 O VAL B 33 17.608 -4.581 8.513 1.00 0.99 O ATOM 2141 CB VAL B 33 15.402 -3.911 6.648 1.00 0.56 C ATOM 2142 CG1 VAL B 33 14.801 -4.095 5.262 1.00 0.67 C ATOM 2143 CG2 VAL B 33 14.504 -3.034 7.512 1.00 0.51 C ATOM 0 H VAL B 33 13.650 -5.370 7.955 1.00 0.42 H new ATOM 0 HA VAL B 33 16.202 -5.920 6.632 1.00 0.52 H new ATOM 0 HB VAL B 33 16.363 -3.408 6.542 1.00 0.56 H new ATOM 0 HG11 VAL B 33 14.634 -3.119 4.805 1.00 0.67 H new ATOM 0 HG12 VAL B 33 15.486 -4.673 4.642 1.00 0.67 H new ATOM 0 HG13 VAL B 33 13.852 -4.624 5.344 1.00 0.67 H new ATOM 0 HG21 VAL B 33 14.345 -2.076 7.016 1.00 0.51 H new ATOM 0 HG22 VAL B 33 13.545 -3.530 7.660 1.00 0.51 H new ATOM 0 HG23 VAL B 33 14.979 -2.868 8.479 1.00 0.51 H new ATOM 2153 N GLY B 34 15.924 -5.434 9.725 1.00 0.36 N ATOM 2154 CA GLY B 34 16.636 -5.272 10.980 1.00 0.38 C ATOM 2155 C GLY B 34 16.505 -3.867 11.535 1.00 0.33 C ATOM 2156 O GLY B 34 16.383 -3.681 12.746 1.00 0.38 O ATOM 0 H GLY B 34 14.990 -5.836 9.810 1.00 0.36 H new ATOM 0 HA2 GLY B 34 16.252 -5.986 11.709 1.00 0.38 H new ATOM 0 HA3 GLY B 34 17.690 -5.505 10.830 1.00 0.38 H new ATOM 2160 N TYR B 35 16.534 -2.884 10.642 1.00 0.32 N ATOM 2161 CA TYR B 35 16.408 -1.483 11.022 1.00 0.31 C ATOM 2162 C TYR B 35 15.081 -1.228 11.721 1.00 0.29 C ATOM 2163 O TYR B 35 14.041 -1.760 11.323 1.00 0.35 O ATOM 2164 CB TYR B 35 16.514 -0.582 9.787 1.00 0.33 C ATOM 2165 CG TYR B 35 17.932 -0.326 9.332 1.00 0.30 C ATOM 2166 CD1 TYR B 35 18.751 0.558 10.021 1.00 0.39 C ATOM 2167 CD2 TYR B 35 18.449 -0.964 8.214 1.00 0.30 C ATOM 2168 CE1 TYR B 35 20.047 0.796 9.611 1.00 0.39 C ATOM 2169 CE2 TYR B 35 19.745 -0.730 7.797 1.00 0.30 C ATOM 2170 CZ TYR B 35 20.539 0.150 8.500 1.00 0.30 C ATOM 2171 OH TYR B 35 21.833 0.381 8.095 1.00 0.34 O ATOM 0 H TYR B 35 16.645 -3.035 9.639 1.00 0.32 H new ATOM 0 HA TYR B 35 17.220 -1.250 11.710 1.00 0.31 H new ATOM 0 HB2 TYR B 35 15.958 -1.038 8.968 1.00 0.33 H new ATOM 0 HB3 TYR B 35 16.035 0.373 10.005 1.00 0.33 H new ATOM 0 HD1 TYR B 35 18.368 1.068 10.892 1.00 0.39 H new ATOM 0 HD2 TYR B 35 17.829 -1.654 7.661 1.00 0.30 H new ATOM 0 HE1 TYR B 35 20.672 1.486 10.159 1.00 0.39 H new ATOM 0 HE2 TYR B 35 20.134 -1.234 6.925 1.00 0.30 H new ATOM 0 HH TYR B 35 22.026 -0.152 7.296 1.00 0.34 H new ATOM 2181 N GLN B 36 15.126 -0.427 12.769 1.00 0.30 N ATOM 2182 CA GLN B 36 13.929 -0.089 13.518 1.00 0.31 C ATOM 2183 C GLN B 36 13.192 1.042 12.805 1.00 0.30 C ATOM 2184 O GLN B 36 13.819 1.854 12.124 1.00 0.35 O ATOM 2185 CB GLN B 36 14.288 0.329 14.948 1.00 0.40 C ATOM 2186 CG GLN B 36 15.204 -0.650 15.671 1.00 0.42 C ATOM 2187 CD GLN B 36 14.568 -2.010 15.899 1.00 0.81 C ATOM 2188 OE1 GLN B 36 14.771 -2.925 14.968 1.00 1.63 O flip ATOM 2189 NE2 GLN B 36 13.910 -2.241 16.915 1.00 1.29 N flip ATOM 0 H GLN B 36 15.981 0.003 13.122 1.00 0.30 H new ATOM 0 HA GLN B 36 13.283 -0.965 13.574 1.00 0.31 H new ATOM 0 HB2 GLN B 36 14.769 1.307 14.919 1.00 0.40 H new ATOM 0 HB3 GLN B 36 13.369 0.443 15.523 1.00 0.40 H new ATOM 0 HG2 GLN B 36 16.119 -0.777 15.092 1.00 0.42 H new ATOM 0 HG3 GLN B 36 15.492 -0.225 16.633 1.00 0.42 H new ATOM 0 HE21 GLN B 36 13.775 -1.509 17.612 1.00 1.29 H new ATOM 0 HE22 GLN B 36 13.501 -3.164 17.059 1.00 1.29 H new ATOM 2198 N PRO B 37 11.857 1.111 12.942 1.00 0.33 N ATOM 2199 CA PRO B 37 11.044 2.152 12.294 1.00 0.35 C ATOM 2200 C PRO B 37 11.561 3.565 12.565 1.00 0.31 C ATOM 2201 O PRO B 37 11.575 4.415 11.672 1.00 0.30 O ATOM 2202 CB PRO B 37 9.662 1.960 12.920 1.00 0.43 C ATOM 2203 CG PRO B 37 9.624 0.528 13.325 1.00 0.49 C ATOM 2204 CD PRO B 37 11.029 0.175 13.728 1.00 0.40 C ATOM 0 HA PRO B 37 11.058 2.056 11.208 1.00 0.35 H new ATOM 0 HB2 PRO B 37 9.521 2.618 13.778 1.00 0.43 H new ATOM 0 HB3 PRO B 37 8.870 2.191 12.208 1.00 0.43 H new ATOM 0 HG2 PRO B 37 8.930 0.374 14.152 1.00 0.49 H new ATOM 0 HG3 PRO B 37 9.284 -0.101 12.503 1.00 0.49 H new ATOM 0 HD2 PRO B 37 11.184 0.304 14.799 1.00 0.40 H new ATOM 0 HD3 PRO B 37 11.265 -0.863 13.495 1.00 0.40 H new ATOM 2212 N GLN B 38 12.006 3.796 13.792 1.00 0.33 N ATOM 2213 CA GLN B 38 12.521 5.098 14.204 1.00 0.35 C ATOM 2214 C GLN B 38 13.762 5.491 13.406 1.00 0.34 C ATOM 2215 O GLN B 38 14.009 6.674 13.178 1.00 0.33 O ATOM 2216 CB GLN B 38 12.848 5.091 15.697 1.00 0.46 C ATOM 2217 CG GLN B 38 11.629 4.908 16.586 1.00 0.57 C ATOM 2218 CD GLN B 38 11.391 3.461 16.985 1.00 1.14 C ATOM 2219 OE1 GLN B 38 11.738 2.528 16.255 1.00 2.03 O ATOM 2220 NE2 GLN B 38 10.789 3.267 18.145 1.00 1.34 N ATOM 0 H GLN B 38 12.021 3.091 14.529 1.00 0.33 H new ATOM 0 HA GLN B 38 11.743 5.836 14.006 1.00 0.35 H new ATOM 0 HB2 GLN B 38 13.559 4.291 15.901 1.00 0.46 H new ATOM 0 HB3 GLN B 38 13.340 6.028 15.957 1.00 0.46 H new ATOM 0 HG2 GLN B 38 11.750 5.511 17.486 1.00 0.57 H new ATOM 0 HG3 GLN B 38 10.748 5.284 16.066 1.00 0.57 H new ATOM 0 HE21 GLN B 38 10.518 4.066 18.719 1.00 1.34 H new ATOM 0 HE22 GLN B 38 10.595 2.319 18.467 1.00 1.34 H new ATOM 2229 N GLU B 39 14.530 4.499 12.974 1.00 0.39 N ATOM 2230 CA GLU B 39 15.741 4.752 12.207 1.00 0.44 C ATOM 2231 C GLU B 39 15.398 5.281 10.816 1.00 0.44 C ATOM 2232 O GLU B 39 16.095 6.147 10.283 1.00 0.53 O ATOM 2233 CB GLU B 39 16.580 3.475 12.091 1.00 0.55 C ATOM 2234 CG GLU B 39 17.134 2.988 13.422 1.00 0.59 C ATOM 2235 CD GLU B 39 18.049 1.788 13.273 1.00 1.16 C ATOM 2236 OE1 GLU B 39 19.259 1.983 13.029 1.00 1.59 O ATOM 2237 OE2 GLU B 39 17.565 0.645 13.407 1.00 1.69 O ATOM 0 H GLU B 39 14.335 3.512 13.142 1.00 0.39 H new ATOM 0 HA GLU B 39 16.324 5.508 12.733 1.00 0.44 H new ATOM 0 HB2 GLU B 39 15.969 2.687 11.651 1.00 0.55 H new ATOM 0 HB3 GLU B 39 17.409 3.655 11.406 1.00 0.55 H new ATOM 0 HG2 GLU B 39 17.682 3.799 13.901 1.00 0.59 H new ATOM 0 HG3 GLU B 39 16.306 2.728 14.082 1.00 0.59 H new ATOM 2244 N LEU B 40 14.311 4.772 10.246 1.00 0.41 N ATOM 2245 CA LEU B 40 13.874 5.185 8.916 1.00 0.44 C ATOM 2246 C LEU B 40 13.170 6.537 8.971 1.00 0.40 C ATOM 2247 O LEU B 40 13.207 7.311 8.014 1.00 0.45 O ATOM 2248 CB LEU B 40 12.932 4.138 8.308 1.00 0.50 C ATOM 2249 CG LEU B 40 13.605 2.906 7.689 1.00 0.53 C ATOM 2250 CD1 LEU B 40 14.775 3.315 6.806 1.00 1.10 C ATOM 2251 CD2 LEU B 40 14.056 1.933 8.770 1.00 1.24 C ATOM 0 H LEU B 40 13.715 4.071 10.685 1.00 0.41 H new ATOM 0 HA LEU B 40 14.760 5.275 8.287 1.00 0.44 H new ATOM 0 HB2 LEU B 40 12.246 3.801 9.085 1.00 0.50 H new ATOM 0 HB3 LEU B 40 12.330 4.623 7.540 1.00 0.50 H new ATOM 0 HG LEU B 40 12.870 2.398 7.064 1.00 0.53 H new ATOM 0 HD11 LEU B 40 15.236 2.425 6.378 1.00 1.10 H new ATOM 0 HD12 LEU B 40 14.417 3.960 6.003 1.00 1.10 H new ATOM 0 HD13 LEU B 40 15.511 3.854 7.403 1.00 1.10 H new ATOM 0 HD21 LEU B 40 14.530 1.068 8.306 1.00 1.24 H new ATOM 0 HD22 LEU B 40 14.769 2.427 9.430 1.00 1.24 H new ATOM 0 HD23 LEU B 40 13.192 1.606 9.349 1.00 1.24 H new ATOM 2263 N LEU B 41 12.533 6.814 10.102 1.00 0.34 N ATOM 2264 CA LEU B 41 11.814 8.067 10.296 1.00 0.34 C ATOM 2265 C LEU B 41 12.769 9.255 10.252 1.00 0.38 C ATOM 2266 O LEU B 41 13.590 9.440 11.152 1.00 0.43 O ATOM 2267 CB LEU B 41 11.070 8.049 11.634 1.00 0.29 C ATOM 2268 CG LEU B 41 9.866 7.108 11.699 1.00 0.28 C ATOM 2269 CD1 LEU B 41 9.392 6.950 13.134 1.00 0.30 C ATOM 2270 CD2 LEU B 41 8.736 7.624 10.823 1.00 0.30 C ATOM 0 H LEU B 41 12.500 6.184 10.903 1.00 0.34 H new ATOM 0 HA LEU B 41 11.093 8.172 9.486 1.00 0.34 H new ATOM 0 HB2 LEU B 41 11.773 7.768 12.418 1.00 0.29 H new ATOM 0 HB3 LEU B 41 10.732 9.061 11.857 1.00 0.29 H new ATOM 0 HG LEU B 41 10.174 6.131 11.325 1.00 0.28 H new ATOM 0 HD11 LEU B 41 8.535 6.277 13.162 1.00 0.30 H new ATOM 0 HD12 LEU B 41 10.198 6.536 13.740 1.00 0.30 H new ATOM 0 HD13 LEU B 41 9.103 7.923 13.531 1.00 0.30 H new ATOM 0 HD21 LEU B 41 7.889 6.941 10.883 1.00 0.30 H new ATOM 0 HD22 LEU B 41 8.431 8.612 11.167 1.00 0.30 H new ATOM 0 HD23 LEU B 41 9.077 7.689 9.790 1.00 0.30 H new ATOM 2282 N GLY B 42 12.672 10.043 9.190 1.00 0.43 N ATOM 2283 CA GLY B 42 13.522 11.213 9.051 1.00 0.51 C ATOM 2284 C GLY B 42 14.765 10.949 8.224 1.00 0.49 C ATOM 2285 O GLY B 42 15.620 11.824 8.078 1.00 0.53 O ATOM 0 H GLY B 42 12.020 9.894 8.420 1.00 0.43 H new ATOM 0 HA2 GLY B 42 12.950 12.018 8.590 1.00 0.51 H new ATOM 0 HA3 GLY B 42 13.818 11.559 10.041 1.00 0.51 H new ATOM 2289 N LYS B 43 14.871 9.750 7.676 1.00 0.46 N ATOM 2290 CA LYS B 43 16.020 9.388 6.863 1.00 0.47 C ATOM 2291 C LYS B 43 15.590 9.027 5.449 1.00 0.40 C ATOM 2292 O LYS B 43 14.457 8.599 5.226 1.00 0.50 O ATOM 2293 CB LYS B 43 16.773 8.218 7.495 1.00 0.57 C ATOM 2294 CG LYS B 43 17.743 8.625 8.597 1.00 0.73 C ATOM 2295 CD LYS B 43 19.006 9.262 8.031 1.00 0.81 C ATOM 2296 CE LYS B 43 18.899 10.780 7.977 1.00 1.70 C ATOM 2297 NZ LYS B 43 20.068 11.399 7.298 1.00 2.45 N ATOM 0 H LYS B 43 14.176 9.011 7.779 1.00 0.46 H new ATOM 0 HA LYS B 43 16.684 10.251 6.813 1.00 0.47 H new ATOM 0 HB2 LYS B 43 16.050 7.513 7.905 1.00 0.57 H new ATOM 0 HB3 LYS B 43 17.325 7.692 6.716 1.00 0.57 H new ATOM 0 HG2 LYS B 43 17.253 9.327 9.272 1.00 0.73 H new ATOM 0 HG3 LYS B 43 18.011 7.749 9.188 1.00 0.73 H new ATOM 0 HD2 LYS B 43 19.862 8.980 8.644 1.00 0.81 H new ATOM 0 HD3 LYS B 43 19.191 8.875 7.029 1.00 0.81 H new ATOM 0 HE2 LYS B 43 17.985 11.060 7.453 1.00 1.70 H new ATOM 0 HE3 LYS B 43 18.818 11.174 8.990 1.00 1.70 H new ATOM 0 HZ1 LYS B 43 20.050 12.428 7.445 1.00 2.45 H new ATOM 0 HZ2 LYS B 43 20.947 11.008 7.694 1.00 2.45 H new ATOM 0 HZ3 LYS B 43 20.026 11.194 6.279 1.00 2.45 H new ATOM 2311 N ASN B 44 16.493 9.221 4.498 1.00 0.32 N ATOM 2312 CA ASN B 44 16.217 8.906 3.106 1.00 0.29 C ATOM 2313 C ASN B 44 16.569 7.455 2.832 1.00 0.28 C ATOM 2314 O ASN B 44 17.660 7.001 3.179 1.00 0.30 O ATOM 2315 CB ASN B 44 17.022 9.815 2.167 1.00 0.30 C ATOM 2316 CG ASN B 44 16.656 11.279 2.297 1.00 0.91 C ATOM 2317 OD1 ASN B 44 17.176 11.982 3.160 1.00 1.92 O ATOM 2318 ND2 ASN B 44 15.766 11.755 1.441 1.00 0.70 N ATOM 0 H ASN B 44 17.426 9.597 4.667 1.00 0.32 H new ATOM 0 HA ASN B 44 15.156 9.071 2.921 1.00 0.29 H new ATOM 0 HB2 ASN B 44 18.085 9.693 2.376 1.00 0.30 H new ATOM 0 HB3 ASN B 44 16.861 9.497 1.137 1.00 0.30 H new ATOM 0 HD21 ASN B 44 15.491 12.736 1.484 1.00 0.70 H new ATOM 0 HD22 ASN B 44 15.355 11.141 0.738 1.00 0.70 H new ATOM 2325 N ILE B 45 15.646 6.733 2.211 1.00 0.25 N ATOM 2326 CA ILE B 45 15.852 5.324 1.879 1.00 0.25 C ATOM 2327 C ILE B 45 17.101 5.126 1.009 1.00 0.24 C ATOM 2328 O ILE B 45 17.738 4.074 1.047 1.00 0.31 O ATOM 2329 CB ILE B 45 14.607 4.748 1.157 1.00 0.25 C ATOM 2330 CG1 ILE B 45 14.824 3.282 0.765 1.00 0.27 C ATOM 2331 CG2 ILE B 45 14.259 5.587 -0.065 1.00 0.24 C ATOM 2332 CD1 ILE B 45 13.596 2.621 0.174 1.00 0.28 C ATOM 0 H ILE B 45 14.739 7.101 1.924 1.00 0.25 H new ATOM 0 HA ILE B 45 16.003 4.786 2.815 1.00 0.25 H new ATOM 0 HB ILE B 45 13.768 4.788 1.851 1.00 0.25 H new ATOM 0 HG12 ILE B 45 15.639 3.225 0.044 1.00 0.27 H new ATOM 0 HG13 ILE B 45 15.138 2.722 1.646 1.00 0.27 H new ATOM 0 HG21 ILE B 45 13.383 5.166 -0.558 1.00 0.24 H new ATOM 0 HG22 ILE B 45 14.045 6.610 0.245 1.00 0.24 H new ATOM 0 HG23 ILE B 45 15.100 5.586 -0.758 1.00 0.24 H new ATOM 0 HD11 ILE B 45 13.826 1.586 -0.079 1.00 0.28 H new ATOM 0 HD12 ILE B 45 12.784 2.645 0.901 1.00 0.28 H new ATOM 0 HD13 ILE B 45 13.293 3.156 -0.726 1.00 0.28 H new ATOM 2344 N VAL B 46 17.468 6.162 0.258 1.00 0.21 N ATOM 2345 CA VAL B 46 18.628 6.107 -0.624 1.00 0.23 C ATOM 2346 C VAL B 46 19.937 5.988 0.170 1.00 0.23 C ATOM 2347 O VAL B 46 20.955 5.538 -0.359 1.00 0.29 O ATOM 2348 CB VAL B 46 18.680 7.343 -1.556 1.00 0.26 C ATOM 2349 CG1 VAL B 46 19.140 8.589 -0.809 1.00 1.08 C ATOM 2350 CG2 VAL B 46 19.568 7.075 -2.761 1.00 1.15 C ATOM 0 H VAL B 46 16.974 7.054 0.244 1.00 0.21 H new ATOM 0 HA VAL B 46 18.521 5.213 -1.238 1.00 0.23 H new ATOM 0 HB VAL B 46 17.667 7.529 -1.912 1.00 0.26 H new ATOM 0 HG11 VAL B 46 19.164 9.436 -1.495 1.00 1.08 H new ATOM 0 HG12 VAL B 46 18.448 8.801 0.006 1.00 1.08 H new ATOM 0 HG13 VAL B 46 20.138 8.422 -0.403 1.00 1.08 H new ATOM 0 HG21 VAL B 46 19.589 7.957 -3.401 1.00 1.15 H new ATOM 0 HG22 VAL B 46 20.579 6.847 -2.424 1.00 1.15 H new ATOM 0 HG23 VAL B 46 19.173 6.229 -3.323 1.00 1.15 H new ATOM 2360 N GLU B 47 19.897 6.365 1.447 1.00 0.23 N ATOM 2361 CA GLU B 47 21.078 6.300 2.305 1.00 0.27 C ATOM 2362 C GLU B 47 21.369 4.862 2.706 1.00 0.25 C ATOM 2363 O GLU B 47 22.501 4.512 3.035 1.00 0.35 O ATOM 2364 CB GLU B 47 20.884 7.148 3.563 1.00 0.34 C ATOM 2365 CG GLU B 47 20.936 8.644 3.312 1.00 0.42 C ATOM 2366 CD GLU B 47 21.098 9.436 4.592 1.00 1.07 C ATOM 2367 OE1 GLU B 47 22.107 9.231 5.300 1.00 1.06 O ATOM 2368 OE2 GLU B 47 20.219 10.271 4.897 1.00 1.96 O ATOM 0 H GLU B 47 19.060 6.718 1.910 1.00 0.23 H new ATOM 0 HA GLU B 47 21.922 6.693 1.739 1.00 0.27 H new ATOM 0 HB2 GLU B 47 19.923 6.898 4.013 1.00 0.34 H new ATOM 0 HB3 GLU B 47 21.653 6.885 4.289 1.00 0.34 H new ATOM 0 HG2 GLU B 47 21.765 8.869 2.641 1.00 0.42 H new ATOM 0 HG3 GLU B 47 20.023 8.957 2.807 1.00 0.42 H new ATOM 2375 N PHE B 48 20.339 4.034 2.674 1.00 0.22 N ATOM 2376 CA PHE B 48 20.475 2.633 3.038 1.00 0.26 C ATOM 2377 C PHE B 48 20.411 1.764 1.792 1.00 0.26 C ATOM 2378 O PHE B 48 20.135 0.569 1.863 1.00 0.33 O ATOM 2379 CB PHE B 48 19.373 2.229 4.022 1.00 0.32 C ATOM 2380 CG PHE B 48 19.229 3.166 5.185 1.00 0.35 C ATOM 2381 CD1 PHE B 48 20.111 3.110 6.253 1.00 0.40 C ATOM 2382 CD2 PHE B 48 18.212 4.107 5.210 1.00 0.39 C ATOM 2383 CE1 PHE B 48 19.982 3.975 7.322 1.00 0.45 C ATOM 2384 CE2 PHE B 48 18.078 4.974 6.277 1.00 0.45 C ATOM 2385 CZ PHE B 48 18.964 4.908 7.335 1.00 0.46 C ATOM 0 H PHE B 48 19.396 4.308 2.399 1.00 0.22 H new ATOM 0 HA PHE B 48 21.441 2.488 3.521 1.00 0.26 H new ATOM 0 HB2 PHE B 48 18.424 2.177 3.489 1.00 0.32 H new ATOM 0 HB3 PHE B 48 19.583 1.228 4.398 1.00 0.32 H new ATOM 0 HD1 PHE B 48 20.908 2.382 6.249 1.00 0.40 H new ATOM 0 HD2 PHE B 48 17.516 4.163 4.386 1.00 0.39 H new ATOM 0 HE1 PHE B 48 20.677 3.922 8.147 1.00 0.45 H new ATOM 0 HE2 PHE B 48 17.281 5.703 6.284 1.00 0.45 H new ATOM 0 HZ PHE B 48 18.861 5.585 8.170 1.00 0.46 H new ATOM 2395 N CYS B 49 20.664 2.375 0.648 1.00 0.23 N ATOM 2396 CA CYS B 49 20.633 1.660 -0.614 1.00 0.28 C ATOM 2397 C CYS B 49 22.047 1.447 -1.140 1.00 0.30 C ATOM 2398 O CYS B 49 22.960 2.213 -0.820 1.00 0.38 O ATOM 2399 CB CYS B 49 19.800 2.433 -1.643 1.00 0.31 C ATOM 2400 SG CYS B 49 19.569 1.566 -3.215 1.00 1.17 S ATOM 0 H CYS B 49 20.893 3.366 0.568 1.00 0.23 H new ATOM 0 HA CYS B 49 20.172 0.686 -0.448 1.00 0.28 H new ATOM 0 HB2 CYS B 49 18.822 2.649 -1.213 1.00 0.31 H new ATOM 0 HB3 CYS B 49 20.282 3.391 -1.837 1.00 0.31 H new ATOM 0 HG CYS B 49 18.700 0.611 -3.060 1.00 1.17 H new ATOM 2406 N HIS B 50 22.218 0.390 -1.924 1.00 0.32 N ATOM 2407 CA HIS B 50 23.503 0.059 -2.528 1.00 0.38 C ATOM 2408 C HIS B 50 23.981 1.228 -3.387 1.00 0.32 C ATOM 2409 O HIS B 50 23.207 1.767 -4.172 1.00 0.31 O ATOM 2410 CB HIS B 50 23.337 -1.200 -3.385 1.00 0.54 C ATOM 2411 CG HIS B 50 24.611 -1.858 -3.817 1.00 0.41 C ATOM 2412 ND1 HIS B 50 24.817 -2.298 -5.102 1.00 1.06 N ATOM 2413 CD2 HIS B 50 25.727 -2.190 -3.125 1.00 1.18 C ATOM 2414 CE1 HIS B 50 26.000 -2.874 -5.185 1.00 0.87 C ATOM 2415 NE2 HIS B 50 26.573 -2.821 -3.998 1.00 1.08 N ATOM 0 H HIS B 50 21.470 -0.262 -2.159 1.00 0.32 H new ATOM 0 HA HIS B 50 24.245 -0.128 -1.752 1.00 0.38 H new ATOM 0 HB2 HIS B 50 22.746 -1.925 -2.825 1.00 0.54 H new ATOM 0 HB3 HIS B 50 22.763 -0.940 -4.274 1.00 0.54 H new ATOM 0 HD1 HIS B 50 24.157 -2.195 -5.873 1.00 1.06 H new ATOM 0 HD2 HIS B 50 25.915 -1.994 -2.080 1.00 1.18 H new ATOM 0 HE1 HIS B 50 26.427 -3.314 -6.074 1.00 0.87 H new ATOM 2424 N PRO B 51 25.248 1.648 -3.231 1.00 0.35 N ATOM 2425 CA PRO B 51 25.818 2.770 -3.993 1.00 0.38 C ATOM 2426 C PRO B 51 25.506 2.709 -5.491 1.00 0.36 C ATOM 2427 O PRO B 51 25.026 3.681 -6.073 1.00 0.46 O ATOM 2428 CB PRO B 51 27.317 2.618 -3.751 1.00 0.47 C ATOM 2429 CG PRO B 51 27.416 1.993 -2.404 1.00 0.72 C ATOM 2430 CD PRO B 51 26.225 1.081 -2.280 1.00 0.44 C ATOM 0 HA PRO B 51 25.403 3.726 -3.673 1.00 0.38 H new ATOM 0 HB2 PRO B 51 27.781 1.992 -4.514 1.00 0.47 H new ATOM 0 HB3 PRO B 51 27.823 3.583 -3.779 1.00 0.47 H new ATOM 0 HG2 PRO B 51 28.347 1.435 -2.300 1.00 0.72 H new ATOM 0 HG3 PRO B 51 27.410 2.751 -1.621 1.00 0.72 H new ATOM 0 HD2 PRO B 51 26.480 0.052 -2.534 1.00 0.44 H new ATOM 0 HD3 PRO B 51 25.833 1.070 -1.263 1.00 0.44 H new ATOM 2438 N GLU B 52 25.750 1.556 -6.100 1.00 0.37 N ATOM 2439 CA GLU B 52 25.510 1.367 -7.530 1.00 0.38 C ATOM 2440 C GLU B 52 24.027 1.152 -7.851 1.00 0.37 C ATOM 2441 O GLU B 52 23.668 0.882 -8.997 1.00 0.40 O ATOM 2442 CB GLU B 52 26.330 0.184 -8.045 1.00 0.45 C ATOM 2443 CG GLU B 52 27.800 0.259 -7.668 1.00 0.78 C ATOM 2444 CD GLU B 52 28.130 -0.552 -6.432 1.00 1.36 C ATOM 2445 OE1 GLU B 52 27.650 -0.202 -5.334 1.00 2.04 O ATOM 2446 OE2 GLU B 52 28.868 -1.551 -6.557 1.00 1.70 O ATOM 0 H GLU B 52 26.116 0.731 -5.625 1.00 0.37 H new ATOM 0 HA GLU B 52 25.822 2.282 -8.033 1.00 0.38 H new ATOM 0 HB2 GLU B 52 25.908 -0.740 -7.650 1.00 0.45 H new ATOM 0 HB3 GLU B 52 26.243 0.136 -9.130 1.00 0.45 H new ATOM 0 HG2 GLU B 52 28.403 -0.097 -8.503 1.00 0.78 H new ATOM 0 HG3 GLU B 52 28.074 1.300 -7.498 1.00 0.78 H new ATOM 2453 N ASP B 53 23.169 1.271 -6.846 1.00 0.36 N ATOM 2454 CA ASP B 53 21.731 1.093 -7.040 1.00 0.37 C ATOM 2455 C ASP B 53 20.976 2.324 -6.554 1.00 0.38 C ATOM 2456 O ASP B 53 19.743 2.354 -6.552 1.00 0.42 O ATOM 2457 CB ASP B 53 21.233 -0.148 -6.292 1.00 0.47 C ATOM 2458 CG ASP B 53 21.633 -1.443 -6.970 1.00 0.48 C ATOM 2459 OD1 ASP B 53 20.901 -1.900 -7.874 1.00 1.09 O ATOM 2460 OD2 ASP B 53 22.684 -2.012 -6.600 1.00 1.10 O ATOM 0 H ASP B 53 23.441 1.490 -5.888 1.00 0.36 H new ATOM 0 HA ASP B 53 21.546 0.957 -8.106 1.00 0.37 H new ATOM 0 HB2 ASP B 53 21.629 -0.138 -5.277 1.00 0.47 H new ATOM 0 HB3 ASP B 53 20.147 -0.106 -6.211 1.00 0.47 H new ATOM 2465 N GLN B 54 21.727 3.343 -6.149 1.00 0.41 N ATOM 2466 CA GLN B 54 21.142 4.580 -5.646 1.00 0.47 C ATOM 2467 C GLN B 54 20.423 5.339 -6.752 1.00 0.50 C ATOM 2468 O GLN B 54 19.274 5.751 -6.585 1.00 0.53 O ATOM 2469 CB GLN B 54 22.218 5.468 -5.020 1.00 0.56 C ATOM 2470 CG GLN B 54 22.542 5.102 -3.584 1.00 0.65 C ATOM 2471 CD GLN B 54 23.570 6.025 -2.961 1.00 0.69 C ATOM 2472 OE1 GLN B 54 24.480 6.514 -3.633 1.00 1.10 O ATOM 2473 NE2 GLN B 54 23.427 6.279 -1.670 1.00 0.80 N ATOM 0 H GLN B 54 22.747 3.336 -6.160 1.00 0.41 H new ATOM 0 HA GLN B 54 20.412 4.313 -4.882 1.00 0.47 H new ATOM 0 HB2 GLN B 54 23.127 5.401 -5.618 1.00 0.56 H new ATOM 0 HB3 GLN B 54 21.888 6.506 -5.057 1.00 0.56 H new ATOM 0 HG2 GLN B 54 21.628 5.131 -2.991 1.00 0.65 H new ATOM 0 HG3 GLN B 54 22.912 4.077 -3.550 1.00 0.65 H new ATOM 0 HE21 GLN B 54 22.660 5.854 -1.149 1.00 0.80 H new ATOM 0 HE22 GLN B 54 24.084 6.899 -1.196 1.00 0.80 H new ATOM 2482 N GLN B 55 21.098 5.513 -7.882 1.00 0.54 N ATOM 2483 CA GLN B 55 20.517 6.223 -9.013 1.00 0.61 C ATOM 2484 C GLN B 55 19.293 5.477 -9.535 1.00 0.52 C ATOM 2485 O GLN B 55 18.296 6.092 -9.915 1.00 0.52 O ATOM 2486 CB GLN B 55 21.559 6.405 -10.123 1.00 0.76 C ATOM 2487 CG GLN B 55 21.003 7.017 -11.401 1.00 1.33 C ATOM 2488 CD GLN B 55 20.335 8.365 -11.183 1.00 1.73 C ATOM 2489 OE1 GLN B 55 20.754 9.160 -10.339 1.00 2.72 O ATOM 2490 NE2 GLN B 55 19.286 8.627 -11.945 1.00 1.51 N ATOM 0 H GLN B 55 22.047 5.172 -8.039 1.00 0.54 H new ATOM 0 HA GLN B 55 20.199 7.211 -8.680 1.00 0.61 H new ATOM 0 HB2 GLN B 55 22.365 7.037 -9.750 1.00 0.76 H new ATOM 0 HB3 GLN B 55 21.998 5.435 -10.358 1.00 0.76 H new ATOM 0 HG2 GLN B 55 21.812 7.133 -12.122 1.00 1.33 H new ATOM 0 HG3 GLN B 55 20.281 6.329 -11.841 1.00 1.33 H new ATOM 0 HE21 GLN B 55 18.971 7.942 -12.632 1.00 1.51 H new ATOM 0 HE22 GLN B 55 18.792 9.514 -11.846 1.00 1.51 H new ATOM 2499 N LEU B 56 19.370 4.152 -9.532 1.00 0.51 N ATOM 2500 CA LEU B 56 18.266 3.318 -9.987 1.00 0.51 C ATOM 2501 C LEU B 56 17.023 3.578 -9.139 1.00 0.42 C ATOM 2502 O LEU B 56 15.916 3.714 -9.665 1.00 0.42 O ATOM 2503 CB LEU B 56 18.654 1.837 -9.917 1.00 0.60 C ATOM 2504 CG LEU B 56 17.582 0.861 -10.401 1.00 0.63 C ATOM 2505 CD1 LEU B 56 17.168 1.193 -11.825 1.00 1.29 C ATOM 2506 CD2 LEU B 56 18.086 -0.572 -10.304 1.00 1.42 C ATOM 0 H LEU B 56 20.189 3.631 -9.218 1.00 0.51 H new ATOM 0 HA LEU B 56 18.042 3.572 -11.023 1.00 0.51 H new ATOM 0 HB2 LEU B 56 19.556 1.685 -10.511 1.00 0.60 H new ATOM 0 HB3 LEU B 56 18.907 1.592 -8.885 1.00 0.60 H new ATOM 0 HG LEU B 56 16.706 0.958 -9.760 1.00 0.63 H new ATOM 0 HD11 LEU B 56 16.404 0.489 -12.155 1.00 1.29 H new ATOM 0 HD12 LEU B 56 16.768 2.206 -11.861 1.00 1.29 H new ATOM 0 HD13 LEU B 56 18.035 1.122 -12.482 1.00 1.29 H new ATOM 0 HD21 LEU B 56 17.311 -1.255 -10.652 1.00 1.42 H new ATOM 0 HD22 LEU B 56 18.976 -0.687 -10.923 1.00 1.42 H new ATOM 0 HD23 LEU B 56 18.333 -0.802 -9.267 1.00 1.42 H new ATOM 2518 N LEU B 57 17.221 3.657 -7.827 1.00 0.40 N ATOM 2519 CA LEU B 57 16.129 3.915 -6.898 1.00 0.39 C ATOM 2520 C LEU B 57 15.538 5.295 -7.161 1.00 0.37 C ATOM 2521 O LEU B 57 14.321 5.456 -7.257 1.00 0.39 O ATOM 2522 CB LEU B 57 16.627 3.835 -5.451 1.00 0.48 C ATOM 2523 CG LEU B 57 15.860 2.872 -4.542 1.00 0.60 C ATOM 2524 CD1 LEU B 57 16.284 3.064 -3.095 1.00 1.01 C ATOM 2525 CD2 LEU B 57 14.358 3.066 -4.688 1.00 1.15 C ATOM 0 H LEU B 57 18.132 3.545 -7.383 1.00 0.40 H new ATOM 0 HA LEU B 57 15.360 3.158 -7.048 1.00 0.39 H new ATOM 0 HB2 LEU B 57 17.676 3.539 -5.462 1.00 0.48 H new ATOM 0 HB3 LEU B 57 16.582 4.833 -5.014 1.00 0.48 H new ATOM 0 HG LEU B 57 16.099 1.852 -4.845 1.00 0.60 H new ATOM 0 HD11 LEU B 57 15.731 2.373 -2.459 1.00 1.01 H new ATOM 0 HD12 LEU B 57 17.352 2.869 -3.000 1.00 1.01 H new ATOM 0 HD13 LEU B 57 16.073 4.088 -2.787 1.00 1.01 H new ATOM 0 HD21 LEU B 57 13.836 2.370 -4.032 1.00 1.15 H new ATOM 0 HD22 LEU B 57 14.095 4.088 -4.416 1.00 1.15 H new ATOM 0 HD23 LEU B 57 14.066 2.879 -5.721 1.00 1.15 H new ATOM 2537 N ARG B 58 16.423 6.278 -7.292 1.00 0.42 N ATOM 2538 CA ARG B 58 16.031 7.659 -7.550 1.00 0.50 C ATOM 2539 C ARG B 58 15.208 7.764 -8.834 1.00 0.44 C ATOM 2540 O ARG B 58 14.124 8.350 -8.841 1.00 0.44 O ATOM 2541 CB ARG B 58 17.283 8.531 -7.654 1.00 0.65 C ATOM 2542 CG ARG B 58 17.001 9.993 -7.962 1.00 1.08 C ATOM 2543 CD ARG B 58 18.278 10.724 -8.332 1.00 1.12 C ATOM 2544 NE ARG B 58 18.047 12.137 -8.611 1.00 1.90 N ATOM 2545 CZ ARG B 58 18.898 12.901 -9.290 1.00 2.21 C ATOM 2546 NH1 ARG B 58 20.011 12.373 -9.790 1.00 1.97 N ATOM 2547 NH2 ARG B 58 18.631 14.187 -9.471 1.00 3.01 N ATOM 0 H ARG B 58 17.431 6.140 -7.222 1.00 0.42 H new ATOM 0 HA ARG B 58 15.411 8.007 -6.724 1.00 0.50 H new ATOM 0 HB2 ARG B 58 17.834 8.469 -6.716 1.00 0.65 H new ATOM 0 HB3 ARG B 58 17.931 8.126 -8.432 1.00 0.65 H new ATOM 0 HG2 ARG B 58 16.286 10.065 -8.781 1.00 1.08 H new ATOM 0 HG3 ARG B 58 16.542 10.470 -7.096 1.00 1.08 H new ATOM 0 HD2 ARG B 58 18.997 10.630 -7.518 1.00 1.12 H new ATOM 0 HD3 ARG B 58 18.724 10.251 -9.207 1.00 1.12 H new ATOM 0 HE ARG B 58 17.186 12.562 -8.267 1.00 1.90 H new ATOM 0 HH11 ARG B 58 20.212 11.382 -9.653 1.00 1.97 H new ATOM 0 HH12 ARG B 58 20.664 12.958 -10.311 1.00 1.97 H new ATOM 0 HH21 ARG B 58 17.774 14.589 -9.090 1.00 3.01 H new ATOM 0 HH22 ARG B 58 19.282 14.775 -9.991 1.00 3.01 H new ATOM 2561 N ASP B 59 15.725 7.181 -9.912 1.00 0.42 N ATOM 2562 CA ASP B 59 15.048 7.208 -11.206 1.00 0.43 C ATOM 2563 C ASP B 59 13.672 6.559 -11.116 1.00 0.37 C ATOM 2564 O ASP B 59 12.684 7.110 -11.607 1.00 0.39 O ATOM 2565 CB ASP B 59 15.887 6.493 -12.268 1.00 0.49 C ATOM 2566 CG ASP B 59 15.119 6.251 -13.554 1.00 0.58 C ATOM 2567 OD1 ASP B 59 15.003 7.188 -14.371 1.00 0.76 O ATOM 2568 OD2 ASP B 59 14.637 5.119 -13.759 1.00 0.78 O ATOM 0 H ASP B 59 16.615 6.682 -9.915 1.00 0.42 H new ATOM 0 HA ASP B 59 14.923 8.252 -11.494 1.00 0.43 H new ATOM 0 HB2 ASP B 59 16.774 7.088 -12.486 1.00 0.49 H new ATOM 0 HB3 ASP B 59 16.233 5.539 -11.871 1.00 0.49 H new ATOM 2573 N SER B 60 13.612 5.399 -10.474 1.00 0.33 N ATOM 2574 CA SER B 60 12.356 4.676 -10.322 1.00 0.33 C ATOM 2575 C SER B 60 11.357 5.490 -9.502 1.00 0.28 C ATOM 2576 O SER B 60 10.160 5.495 -9.794 1.00 0.29 O ATOM 2577 CB SER B 60 12.607 3.316 -9.673 1.00 0.39 C ATOM 2578 OG SER B 60 13.592 2.586 -10.393 1.00 1.41 O ATOM 0 H SER B 60 14.418 4.939 -10.051 1.00 0.33 H new ATOM 0 HA SER B 60 11.927 4.516 -11.311 1.00 0.33 H new ATOM 0 HB2 SER B 60 12.932 3.455 -8.642 1.00 0.39 H new ATOM 0 HB3 SER B 60 11.678 2.747 -9.640 1.00 0.39 H new ATOM 0 HG SER B 60 14.468 2.718 -9.974 1.00 1.41 H new ATOM 2584 N PHE B 61 11.856 6.187 -8.485 1.00 0.30 N ATOM 2585 CA PHE B 61 11.005 7.020 -7.645 1.00 0.32 C ATOM 2586 C PHE B 61 10.398 8.146 -8.467 1.00 0.33 C ATOM 2587 O PHE B 61 9.199 8.399 -8.402 1.00 0.34 O ATOM 2588 CB PHE B 61 11.793 7.602 -6.471 1.00 0.39 C ATOM 2589 CG PHE B 61 11.799 6.723 -5.256 1.00 0.43 C ATOM 2590 CD1 PHE B 61 10.817 5.762 -5.075 1.00 0.62 C ATOM 2591 CD2 PHE B 61 12.785 6.858 -4.296 1.00 0.59 C ATOM 2592 CE1 PHE B 61 10.820 4.953 -3.957 1.00 0.70 C ATOM 2593 CE2 PHE B 61 12.794 6.052 -3.176 1.00 0.65 C ATOM 2594 CZ PHE B 61 11.809 5.098 -3.006 1.00 0.60 C ATOM 0 H PHE B 61 12.842 6.191 -8.224 1.00 0.30 H new ATOM 0 HA PHE B 61 10.207 6.393 -7.247 1.00 0.32 H new ATOM 0 HB2 PHE B 61 12.821 7.778 -6.787 1.00 0.39 H new ATOM 0 HB3 PHE B 61 11.370 8.571 -6.206 1.00 0.39 H new ATOM 0 HD1 PHE B 61 10.041 5.645 -5.817 1.00 0.62 H new ATOM 0 HD2 PHE B 61 13.557 7.603 -4.424 1.00 0.59 H new ATOM 0 HE1 PHE B 61 10.049 4.208 -3.827 1.00 0.70 H new ATOM 0 HE2 PHE B 61 13.570 6.167 -2.433 1.00 0.65 H new ATOM 0 HZ PHE B 61 11.813 4.467 -2.130 1.00 0.60 H new ATOM 2604 N GLN B 62 11.234 8.808 -9.256 1.00 0.35 N ATOM 2605 CA GLN B 62 10.775 9.895 -10.108 1.00 0.41 C ATOM 2606 C GLN B 62 9.792 9.362 -11.145 1.00 0.37 C ATOM 2607 O GLN B 62 8.836 10.041 -11.518 1.00 0.40 O ATOM 2608 CB GLN B 62 11.959 10.571 -10.806 1.00 0.52 C ATOM 2609 CG GLN B 62 12.933 11.248 -9.849 1.00 0.79 C ATOM 2610 CD GLN B 62 12.305 12.389 -9.064 1.00 1.44 C ATOM 2611 OE1 GLN B 62 11.331 13.063 -9.660 1.00 2.08 O flip ATOM 2612 NE2 GLN B 62 12.701 12.671 -7.932 1.00 2.12 N flip ATOM 0 H GLN B 62 12.233 8.611 -9.323 1.00 0.35 H new ATOM 0 HA GLN B 62 10.273 10.636 -9.486 1.00 0.41 H new ATOM 0 HB2 GLN B 62 12.498 9.825 -11.391 1.00 0.52 H new ATOM 0 HB3 GLN B 62 11.579 11.313 -11.508 1.00 0.52 H new ATOM 0 HG2 GLN B 62 13.322 10.506 -9.151 1.00 0.79 H new ATOM 0 HG3 GLN B 62 13.783 11.629 -10.415 1.00 0.79 H new ATOM 0 HE21 GLN B 62 13.453 12.130 -7.505 1.00 2.12 H new ATOM 0 HE22 GLN B 62 12.277 13.446 -7.422 1.00 2.12 H new ATOM 2621 N GLN B 63 10.026 8.130 -11.586 1.00 0.34 N ATOM 2622 CA GLN B 63 9.177 7.492 -12.582 1.00 0.36 C ATOM 2623 C GLN B 63 7.783 7.209 -12.035 1.00 0.29 C ATOM 2624 O GLN B 63 6.787 7.493 -12.697 1.00 0.32 O ATOM 2625 CB GLN B 63 9.811 6.194 -13.076 1.00 0.44 C ATOM 2626 CG GLN B 63 10.582 6.352 -14.373 1.00 0.66 C ATOM 2627 CD GLN B 63 10.909 5.020 -15.010 1.00 0.76 C ATOM 2628 OE1 GLN B 63 10.103 4.464 -15.755 1.00 1.33 O ATOM 2629 NE2 GLN B 63 12.094 4.502 -14.738 1.00 1.23 N ATOM 0 H GLN B 63 10.803 7.551 -11.266 1.00 0.34 H new ATOM 0 HA GLN B 63 9.080 8.186 -13.417 1.00 0.36 H new ATOM 0 HB2 GLN B 63 10.483 5.812 -12.308 1.00 0.44 H new ATOM 0 HB3 GLN B 63 9.029 5.447 -13.216 1.00 0.44 H new ATOM 0 HG2 GLN B 63 9.997 6.952 -15.070 1.00 0.66 H new ATOM 0 HG3 GLN B 63 11.506 6.897 -14.180 1.00 0.66 H new ATOM 0 HE21 GLN B 63 12.735 4.994 -14.115 1.00 1.23 H new ATOM 0 HE22 GLN B 63 12.368 3.610 -15.151 1.00 1.23 H new ATOM 2638 N VAL B 64 7.706 6.662 -10.823 1.00 0.26 N ATOM 2639 CA VAL B 64 6.414 6.349 -10.222 1.00 0.26 C ATOM 2640 C VAL B 64 5.607 7.626 -9.977 1.00 0.26 C ATOM 2641 O VAL B 64 4.374 7.598 -9.962 1.00 0.28 O ATOM 2642 CB VAL B 64 6.551 5.531 -8.912 1.00 0.28 C ATOM 2643 CG1 VAL B 64 7.007 6.394 -7.748 1.00 0.31 C ATOM 2644 CG2 VAL B 64 5.239 4.835 -8.578 1.00 0.30 C ATOM 0 H VAL B 64 8.513 6.429 -10.245 1.00 0.26 H new ATOM 0 HA VAL B 64 5.877 5.723 -10.935 1.00 0.26 H new ATOM 0 HB VAL B 64 7.320 4.776 -9.078 1.00 0.28 H new ATOM 0 HG11 VAL B 64 7.090 5.781 -6.851 1.00 0.31 H new ATOM 0 HG12 VAL B 64 7.978 6.832 -7.979 1.00 0.31 H new ATOM 0 HG13 VAL B 64 6.281 7.189 -7.578 1.00 0.31 H new ATOM 0 HG21 VAL B 64 5.354 4.266 -7.656 1.00 0.30 H new ATOM 0 HG22 VAL B 64 4.454 5.580 -8.449 1.00 0.30 H new ATOM 0 HG23 VAL B 64 4.968 4.160 -9.390 1.00 0.30 H new ATOM 2654 N VAL B 65 6.307 8.746 -9.809 1.00 0.29 N ATOM 2655 CA VAL B 65 5.654 10.033 -9.600 1.00 0.33 C ATOM 2656 C VAL B 65 4.942 10.456 -10.883 1.00 0.37 C ATOM 2657 O VAL B 65 3.876 11.066 -10.848 1.00 0.45 O ATOM 2658 CB VAL B 65 6.667 11.126 -9.181 1.00 0.40 C ATOM 2659 CG1 VAL B 65 6.005 12.497 -9.102 1.00 0.48 C ATOM 2660 CG2 VAL B 65 7.308 10.775 -7.847 1.00 0.39 C ATOM 0 H VAL B 65 7.326 8.787 -9.814 1.00 0.29 H new ATOM 0 HA VAL B 65 4.932 9.919 -8.791 1.00 0.33 H new ATOM 0 HB VAL B 65 7.442 11.170 -9.946 1.00 0.40 H new ATOM 0 HG11 VAL B 65 6.744 13.241 -8.805 1.00 0.48 H new ATOM 0 HG12 VAL B 65 5.596 12.760 -10.077 1.00 0.48 H new ATOM 0 HG13 VAL B 65 5.201 12.471 -8.367 1.00 0.48 H new ATOM 0 HG21 VAL B 65 8.017 11.554 -7.568 1.00 0.39 H new ATOM 0 HG22 VAL B 65 6.536 10.696 -7.082 1.00 0.39 H new ATOM 0 HG23 VAL B 65 7.831 9.823 -7.934 1.00 0.39 H new ATOM 2670 N LYS B 66 5.540 10.098 -12.014 1.00 0.37 N ATOM 2671 CA LYS B 66 4.978 10.417 -13.320 1.00 0.45 C ATOM 2672 C LYS B 66 3.799 9.499 -13.626 1.00 0.41 C ATOM 2673 O LYS B 66 2.868 9.881 -14.333 1.00 0.49 O ATOM 2674 CB LYS B 66 6.047 10.269 -14.407 1.00 0.57 C ATOM 2675 CG LYS B 66 7.309 11.075 -14.139 1.00 0.74 C ATOM 2676 CD LYS B 66 8.472 10.587 -14.987 1.00 0.67 C ATOM 2677 CE LYS B 66 8.270 10.920 -16.456 1.00 1.44 C ATOM 2678 NZ LYS B 66 9.048 10.017 -17.343 1.00 2.19 N ATOM 0 H LYS B 66 6.420 9.583 -12.051 1.00 0.37 H new ATOM 0 HA LYS B 66 4.628 11.449 -13.304 1.00 0.45 H new ATOM 0 HB2 LYS B 66 6.313 9.216 -14.502 1.00 0.57 H new ATOM 0 HB3 LYS B 66 5.625 10.579 -15.363 1.00 0.57 H new ATOM 0 HG2 LYS B 66 7.121 12.128 -14.349 1.00 0.74 H new ATOM 0 HG3 LYS B 66 7.571 11.002 -13.084 1.00 0.74 H new ATOM 0 HD2 LYS B 66 9.397 11.042 -14.634 1.00 0.67 H new ATOM 0 HD3 LYS B 66 8.582 9.509 -14.869 1.00 0.67 H new ATOM 0 HE2 LYS B 66 7.211 10.846 -16.702 1.00 1.44 H new ATOM 0 HE3 LYS B 66 8.568 11.952 -16.638 1.00 1.44 H new ATOM 0 HZ1 LYS B 66 8.882 10.278 -18.336 1.00 2.19 H new ATOM 0 HZ2 LYS B 66 10.061 10.106 -17.126 1.00 2.19 H new ATOM 0 HZ3 LYS B 66 8.746 9.034 -17.189 1.00 2.19 H new ATOM 2692 N LEU B 67 3.847 8.288 -13.079 1.00 0.39 N ATOM 2693 CA LEU B 67 2.790 7.307 -13.291 1.00 0.43 C ATOM 2694 C LEU B 67 1.490 7.757 -12.633 1.00 0.62 C ATOM 2695 O LEU B 67 0.462 7.862 -13.303 1.00 1.30 O ATOM 2696 CB LEU B 67 3.208 5.940 -12.744 1.00 0.59 C ATOM 2697 CG LEU B 67 4.478 5.348 -13.363 1.00 0.54 C ATOM 2698 CD1 LEU B 67 4.727 3.950 -12.825 1.00 0.74 C ATOM 2699 CD2 LEU B 67 4.379 5.323 -14.882 1.00 0.79 C ATOM 0 H LEU B 67 4.609 7.963 -12.484 1.00 0.39 H new ATOM 0 HA LEU B 67 2.622 7.221 -14.365 1.00 0.43 H new ATOM 0 HB2 LEU B 67 3.355 6.027 -11.667 1.00 0.59 H new ATOM 0 HB3 LEU B 67 2.388 5.239 -12.898 1.00 0.59 H new ATOM 0 HG LEU B 67 5.320 5.983 -13.087 1.00 0.54 H new ATOM 0 HD11 LEU B 67 5.633 3.543 -13.274 1.00 0.74 H new ATOM 0 HD12 LEU B 67 4.847 3.993 -11.742 1.00 0.74 H new ATOM 0 HD13 LEU B 67 3.880 3.309 -13.071 1.00 0.74 H new ATOM 0 HD21 LEU B 67 5.292 4.899 -15.299 1.00 0.79 H new ATOM 0 HD22 LEU B 67 3.526 4.714 -15.181 1.00 0.79 H new ATOM 0 HD23 LEU B 67 4.248 6.339 -15.255 1.00 0.79 H new ATOM 2711 N LYS B 68 1.555 8.017 -11.323 1.00 0.48 N ATOM 2712 CA LYS B 68 0.402 8.478 -10.535 1.00 0.55 C ATOM 2713 C LYS B 68 -0.708 7.430 -10.454 1.00 0.47 C ATOM 2714 O LYS B 68 -1.310 7.057 -11.460 1.00 0.50 O ATOM 2715 CB LYS B 68 -0.157 9.785 -11.101 1.00 0.69 C ATOM 2716 CG LYS B 68 0.822 10.940 -11.025 1.00 0.56 C ATOM 2717 CD LYS B 68 0.254 12.190 -11.668 1.00 0.67 C ATOM 2718 CE LYS B 68 1.303 13.282 -11.767 1.00 0.69 C ATOM 2719 NZ LYS B 68 0.728 14.554 -12.269 1.00 1.04 N ATOM 0 H LYS B 68 2.410 7.914 -10.776 1.00 0.48 H new ATOM 0 HA LYS B 68 0.767 8.650 -9.522 1.00 0.55 H new ATOM 0 HB2 LYS B 68 -0.444 9.629 -12.141 1.00 0.69 H new ATOM 0 HB3 LYS B 68 -1.063 10.050 -10.557 1.00 0.69 H new ATOM 0 HG2 LYS B 68 1.066 11.144 -9.982 1.00 0.56 H new ATOM 0 HG3 LYS B 68 1.752 10.664 -11.522 1.00 0.56 H new ATOM 0 HD2 LYS B 68 -0.121 11.952 -12.663 1.00 0.67 H new ATOM 0 HD3 LYS B 68 -0.594 12.549 -11.085 1.00 0.67 H new ATOM 0 HE2 LYS B 68 1.750 13.447 -10.787 1.00 0.69 H new ATOM 0 HE3 LYS B 68 2.104 12.958 -12.432 1.00 0.69 H new ATOM 0 HZ1 LYS B 68 1.497 15.209 -12.516 1.00 1.04 H new ATOM 0 HZ2 LYS B 68 0.150 14.365 -13.113 1.00 1.04 H new ATOM 0 HZ3 LYS B 68 0.133 14.981 -11.531 1.00 1.04 H new ATOM 2733 N GLY B 69 -0.980 6.965 -9.242 1.00 0.50 N ATOM 2734 CA GLY B 69 -2.017 5.972 -9.043 1.00 0.59 C ATOM 2735 C GLY B 69 -1.621 4.615 -9.579 1.00 0.54 C ATOM 2736 O GLY B 69 -2.473 3.768 -9.851 1.00 0.57 O ATOM 0 H GLY B 69 -0.500 7.259 -8.391 1.00 0.50 H new ATOM 0 HA2 GLY B 69 -2.239 5.890 -7.979 1.00 0.59 H new ATOM 0 HA3 GLY B 69 -2.932 6.302 -9.535 1.00 0.59 H new ATOM 2740 N GLN B 70 -0.324 4.409 -9.735 1.00 0.50 N ATOM 2741 CA GLN B 70 0.197 3.152 -10.241 1.00 0.46 C ATOM 2742 C GLN B 70 1.295 2.642 -9.324 1.00 0.38 C ATOM 2743 O GLN B 70 1.834 3.396 -8.511 1.00 0.37 O ATOM 2744 CB GLN B 70 0.736 3.323 -11.664 1.00 0.50 C ATOM 2745 CG GLN B 70 -0.352 3.526 -12.707 1.00 1.31 C ATOM 2746 CD GLN B 70 -1.193 2.283 -12.930 1.00 1.89 C ATOM 2747 OE1 GLN B 70 -0.886 1.454 -13.784 1.00 2.68 O ATOM 2748 NE2 GLN B 70 -2.263 2.146 -12.161 1.00 2.32 N ATOM 0 H GLN B 70 0.391 5.102 -9.516 1.00 0.50 H new ATOM 0 HA GLN B 70 -0.615 2.425 -10.267 1.00 0.46 H new ATOM 0 HB2 GLN B 70 1.413 4.177 -11.687 1.00 0.50 H new ATOM 0 HB3 GLN B 70 1.323 2.444 -11.929 1.00 0.50 H new ATOM 0 HG2 GLN B 70 -0.999 4.346 -12.395 1.00 1.31 H new ATOM 0 HG3 GLN B 70 0.106 3.823 -13.650 1.00 1.31 H new ATOM 0 HE21 GLN B 70 -2.484 2.856 -11.463 1.00 2.32 H new ATOM 0 HE22 GLN B 70 -2.866 1.330 -12.267 1.00 2.32 H new ATOM 2757 N VAL B 71 1.621 1.367 -9.455 1.00 0.36 N ATOM 2758 CA VAL B 71 2.649 0.760 -8.630 1.00 0.32 C ATOM 2759 C VAL B 71 3.851 0.345 -9.481 1.00 0.31 C ATOM 2760 O VAL B 71 3.705 -0.323 -10.508 1.00 0.39 O ATOM 2761 CB VAL B 71 2.103 -0.456 -7.842 1.00 0.38 C ATOM 2762 CG1 VAL B 71 1.544 -1.520 -8.777 1.00 1.28 C ATOM 2763 CG2 VAL B 71 3.178 -1.045 -6.940 1.00 1.35 C ATOM 0 H VAL B 71 1.187 0.733 -10.126 1.00 0.36 H new ATOM 0 HA VAL B 71 2.972 1.509 -7.907 1.00 0.32 H new ATOM 0 HB VAL B 71 1.285 -0.101 -7.215 1.00 0.38 H new ATOM 0 HG11 VAL B 71 1.169 -2.359 -8.191 1.00 1.28 H new ATOM 0 HG12 VAL B 71 0.730 -1.096 -9.365 1.00 1.28 H new ATOM 0 HG13 VAL B 71 2.332 -1.867 -9.445 1.00 1.28 H new ATOM 0 HG21 VAL B 71 2.770 -1.898 -6.397 1.00 1.35 H new ATOM 0 HG22 VAL B 71 4.023 -1.371 -7.546 1.00 1.35 H new ATOM 0 HG23 VAL B 71 3.512 -0.288 -6.230 1.00 1.35 H new ATOM 2773 N LEU B 72 5.028 0.778 -9.064 1.00 0.27 N ATOM 2774 CA LEU B 72 6.262 0.453 -9.762 1.00 0.29 C ATOM 2775 C LEU B 72 7.191 -0.307 -8.826 1.00 0.31 C ATOM 2776 O LEU B 72 7.553 0.194 -7.760 1.00 0.44 O ATOM 2777 CB LEU B 72 6.942 1.730 -10.266 1.00 0.35 C ATOM 2778 CG LEU B 72 8.230 1.518 -11.068 1.00 0.44 C ATOM 2779 CD1 LEU B 72 7.958 0.682 -12.310 1.00 1.37 C ATOM 2780 CD2 LEU B 72 8.844 2.855 -11.450 1.00 1.05 C ATOM 0 H LEU B 72 5.156 1.361 -8.237 1.00 0.27 H new ATOM 0 HA LEU B 72 6.031 -0.174 -10.623 1.00 0.29 H new ATOM 0 HB2 LEU B 72 6.233 2.277 -10.888 1.00 0.35 H new ATOM 0 HB3 LEU B 72 7.169 2.363 -9.408 1.00 0.35 H new ATOM 0 HG LEU B 72 8.939 0.978 -10.441 1.00 0.44 H new ATOM 0 HD11 LEU B 72 8.886 0.543 -12.865 1.00 1.37 H new ATOM 0 HD12 LEU B 72 7.563 -0.290 -12.015 1.00 1.37 H new ATOM 0 HD13 LEU B 72 7.231 1.193 -12.941 1.00 1.37 H new ATOM 0 HD21 LEU B 72 9.758 2.686 -12.019 1.00 1.05 H new ATOM 0 HD22 LEU B 72 8.137 3.420 -12.058 1.00 1.05 H new ATOM 0 HD23 LEU B 72 9.078 3.419 -10.547 1.00 1.05 H new ATOM 2792 N SER B 73 7.561 -1.513 -9.214 1.00 0.27 N ATOM 2793 CA SER B 73 8.434 -2.336 -8.396 1.00 0.33 C ATOM 2794 C SER B 73 9.889 -2.203 -8.843 1.00 0.28 C ATOM 2795 O SER B 73 10.251 -2.602 -9.950 1.00 0.31 O ATOM 2796 CB SER B 73 7.991 -3.798 -8.464 1.00 0.48 C ATOM 2797 OG SER B 73 6.643 -3.946 -8.043 1.00 1.38 O ATOM 0 H SER B 73 7.271 -1.945 -10.091 1.00 0.27 H new ATOM 0 HA SER B 73 8.364 -1.990 -7.365 1.00 0.33 H new ATOM 0 HB2 SER B 73 8.099 -4.166 -9.484 1.00 0.48 H new ATOM 0 HB3 SER B 73 8.640 -4.407 -7.835 1.00 0.48 H new ATOM 0 HG SER B 73 6.618 -4.109 -7.077 1.00 1.38 H new ATOM 2803 N VAL B 74 10.713 -1.629 -7.980 1.00 0.29 N ATOM 2804 CA VAL B 74 12.126 -1.453 -8.275 1.00 0.28 C ATOM 2805 C VAL B 74 12.951 -2.490 -7.514 1.00 0.23 C ATOM 2806 O VAL B 74 12.823 -2.630 -6.297 1.00 0.24 O ATOM 2807 CB VAL B 74 12.607 -0.019 -7.932 1.00 0.34 C ATOM 2808 CG1 VAL B 74 12.179 0.387 -6.530 1.00 0.35 C ATOM 2809 CG2 VAL B 74 14.117 0.102 -8.091 1.00 0.41 C ATOM 0 H VAL B 74 10.426 -1.276 -7.067 1.00 0.29 H new ATOM 0 HA VAL B 74 12.267 -1.598 -9.346 1.00 0.28 H new ATOM 0 HB VAL B 74 12.134 0.665 -8.637 1.00 0.34 H new ATOM 0 HG11 VAL B 74 12.531 1.397 -6.320 1.00 0.35 H new ATOM 0 HG12 VAL B 74 11.092 0.360 -6.459 1.00 0.35 H new ATOM 0 HG13 VAL B 74 12.607 -0.305 -5.804 1.00 0.35 H new ATOM 0 HG21 VAL B 74 14.429 1.117 -7.845 1.00 0.41 H new ATOM 0 HG22 VAL B 74 14.611 -0.602 -7.421 1.00 0.41 H new ATOM 0 HG23 VAL B 74 14.394 -0.122 -9.121 1.00 0.41 H new ATOM 2819 N MET B 75 13.766 -3.240 -8.238 1.00 0.21 N ATOM 2820 CA MET B 75 14.600 -4.260 -7.626 1.00 0.20 C ATOM 2821 C MET B 75 16.027 -3.756 -7.486 1.00 0.20 C ATOM 2822 O MET B 75 16.704 -3.480 -8.479 1.00 0.24 O ATOM 2823 CB MET B 75 14.567 -5.548 -8.448 1.00 0.26 C ATOM 2824 CG MET B 75 15.413 -6.664 -7.861 1.00 0.29 C ATOM 2825 SD MET B 75 15.222 -8.214 -8.764 1.00 0.41 S ATOM 2826 CE MET B 75 16.459 -9.231 -7.962 1.00 0.41 C ATOM 0 H MET B 75 13.867 -3.161 -9.250 1.00 0.21 H new ATOM 0 HA MET B 75 14.207 -4.479 -6.633 1.00 0.20 H new ATOM 0 HB2 MET B 75 13.535 -5.890 -8.531 1.00 0.26 H new ATOM 0 HB3 MET B 75 14.914 -5.333 -9.459 1.00 0.26 H new ATOM 0 HG2 MET B 75 16.462 -6.366 -7.872 1.00 0.29 H new ATOM 0 HG3 MET B 75 15.136 -6.817 -6.818 1.00 0.29 H new ATOM 0 HE1 MET B 75 16.367 -10.259 -8.311 1.00 0.41 H new ATOM 0 HE2 MET B 75 17.453 -8.854 -8.204 1.00 0.41 H new ATOM 0 HE3 MET B 75 16.312 -9.200 -6.882 1.00 0.41 H new ATOM 2836 N PHE B 76 16.474 -3.633 -6.251 1.00 0.21 N ATOM 2837 CA PHE B 76 17.816 -3.154 -5.961 1.00 0.23 C ATOM 2838 C PHE B 76 18.372 -3.862 -4.735 1.00 0.22 C ATOM 2839 O PHE B 76 17.687 -4.678 -4.118 1.00 0.21 O ATOM 2840 CB PHE B 76 17.799 -1.636 -5.726 1.00 0.26 C ATOM 2841 CG PHE B 76 16.877 -1.204 -4.616 1.00 0.27 C ATOM 2842 CD1 PHE B 76 15.539 -0.950 -4.868 1.00 0.31 C ATOM 2843 CD2 PHE B 76 17.349 -1.056 -3.320 1.00 0.31 C ATOM 2844 CE1 PHE B 76 14.690 -0.560 -3.852 1.00 0.37 C ATOM 2845 CE2 PHE B 76 16.504 -0.666 -2.300 1.00 0.36 C ATOM 2846 CZ PHE B 76 15.172 -0.417 -2.566 1.00 0.38 C ATOM 0 H PHE B 76 15.923 -3.860 -5.423 1.00 0.21 H new ATOM 0 HA PHE B 76 18.456 -3.372 -6.816 1.00 0.23 H new ATOM 0 HB2 PHE B 76 18.811 -1.302 -5.496 1.00 0.26 H new ATOM 0 HB3 PHE B 76 17.500 -1.138 -6.648 1.00 0.26 H new ATOM 0 HD1 PHE B 76 15.155 -1.058 -5.872 1.00 0.31 H new ATOM 0 HD2 PHE B 76 18.390 -1.248 -3.106 1.00 0.31 H new ATOM 0 HE1 PHE B 76 13.649 -0.367 -4.063 1.00 0.37 H new ATOM 0 HE2 PHE B 76 16.884 -0.556 -1.295 1.00 0.36 H new ATOM 0 HZ PHE B 76 14.509 -0.111 -1.770 1.00 0.38 H new ATOM 2856 N ARG B 77 19.610 -3.553 -4.385 1.00 0.25 N ATOM 2857 CA ARG B 77 20.230 -4.151 -3.216 1.00 0.25 C ATOM 2858 C ARG B 77 20.155 -3.192 -2.037 1.00 0.23 C ATOM 2859 O ARG B 77 20.862 -2.186 -1.986 1.00 0.26 O ATOM 2860 CB ARG B 77 21.679 -4.548 -3.499 1.00 0.30 C ATOM 2861 CG ARG B 77 21.804 -5.904 -4.171 1.00 0.48 C ATOM 2862 CD ARG B 77 23.187 -6.501 -3.980 1.00 0.63 C ATOM 2863 NE ARG B 77 24.106 -6.123 -5.053 1.00 1.50 N ATOM 2864 CZ ARG B 77 25.372 -6.533 -5.129 1.00 1.87 C ATOM 2865 NH1 ARG B 77 25.885 -7.300 -4.176 1.00 1.59 N ATOM 2866 NH2 ARG B 77 26.123 -6.176 -6.163 1.00 2.97 N ATOM 0 H ARG B 77 20.202 -2.895 -4.891 1.00 0.25 H new ATOM 0 HA ARG B 77 19.682 -5.060 -2.966 1.00 0.25 H new ATOM 0 HB2 ARG B 77 22.140 -3.791 -4.133 1.00 0.30 H new ATOM 0 HB3 ARG B 77 22.236 -4.561 -2.562 1.00 0.30 H new ATOM 0 HG2 ARG B 77 21.055 -6.583 -3.763 1.00 0.48 H new ATOM 0 HG3 ARG B 77 21.595 -5.803 -5.236 1.00 0.48 H new ATOM 0 HD2 ARG B 77 23.594 -6.172 -3.023 1.00 0.63 H new ATOM 0 HD3 ARG B 77 23.109 -7.587 -3.937 1.00 0.63 H new ATOM 0 HE ARG B 77 23.757 -5.508 -5.788 1.00 1.50 H new ATOM 0 HH11 ARG B 77 25.310 -7.578 -3.381 1.00 1.59 H new ATOM 0 HH12 ARG B 77 26.854 -7.611 -4.238 1.00 1.59 H new ATOM 0 HH21 ARG B 77 25.731 -5.588 -6.899 1.00 2.97 H new ATOM 0 HH22 ARG B 77 27.092 -6.489 -6.222 1.00 2.97 H new ATOM 2880 N PHE B 78 19.274 -3.503 -1.105 1.00 0.24 N ATOM 2881 CA PHE B 78 19.086 -2.681 0.079 1.00 0.23 C ATOM 2882 C PHE B 78 20.075 -3.101 1.157 1.00 0.21 C ATOM 2883 O PHE B 78 20.409 -4.283 1.274 1.00 0.22 O ATOM 2884 CB PHE B 78 17.647 -2.814 0.588 1.00 0.27 C ATOM 2885 CG PHE B 78 17.246 -1.749 1.571 1.00 0.27 C ATOM 2886 CD1 PHE B 78 16.989 -0.456 1.142 1.00 0.34 C ATOM 2887 CD2 PHE B 78 17.122 -2.039 2.920 1.00 0.33 C ATOM 2888 CE1 PHE B 78 16.617 0.526 2.038 1.00 0.37 C ATOM 2889 CE2 PHE B 78 16.749 -1.059 3.822 1.00 0.37 C ATOM 2890 CZ PHE B 78 16.496 0.224 3.380 1.00 0.33 C ATOM 0 H PHE B 78 18.672 -4.325 -1.145 1.00 0.24 H new ATOM 0 HA PHE B 78 19.266 -1.636 -0.175 1.00 0.23 H new ATOM 0 HB2 PHE B 78 16.967 -2.783 -0.263 1.00 0.27 H new ATOM 0 HB3 PHE B 78 17.527 -3.791 1.057 1.00 0.27 H new ATOM 0 HD1 PHE B 78 17.081 -0.214 0.094 1.00 0.34 H new ATOM 0 HD2 PHE B 78 17.319 -3.041 3.271 1.00 0.33 H new ATOM 0 HE1 PHE B 78 16.421 1.529 1.690 1.00 0.37 H new ATOM 0 HE2 PHE B 78 16.656 -1.297 4.871 1.00 0.37 H new ATOM 0 HZ PHE B 78 16.204 0.990 4.083 1.00 0.33 H new ATOM 2900 N ARG B 79 20.549 -2.138 1.929 1.00 0.25 N ATOM 2901 CA ARG B 79 21.498 -2.415 2.989 1.00 0.26 C ATOM 2902 C ARG B 79 20.763 -2.726 4.284 1.00 0.26 C ATOM 2903 O ARG B 79 20.082 -1.871 4.847 1.00 0.36 O ATOM 2904 CB ARG B 79 22.441 -1.230 3.195 1.00 0.36 C ATOM 2905 CG ARG B 79 23.762 -1.610 3.845 1.00 0.33 C ATOM 2906 CD ARG B 79 24.645 -0.393 4.060 1.00 0.56 C ATOM 2907 NE ARG B 79 24.387 0.249 5.347 1.00 1.04 N ATOM 2908 CZ ARG B 79 24.178 1.553 5.502 1.00 1.28 C ATOM 2909 NH1 ARG B 79 24.176 2.360 4.447 1.00 1.06 N ATOM 2910 NH2 ARG B 79 23.971 2.048 6.716 1.00 2.22 N ATOM 0 H ARG B 79 20.290 -1.155 1.840 1.00 0.25 H new ATOM 0 HA ARG B 79 22.091 -3.282 2.699 1.00 0.26 H new ATOM 0 HB2 ARG B 79 22.641 -0.764 2.230 1.00 0.36 H new ATOM 0 HB3 ARG B 79 21.943 -0.483 3.813 1.00 0.36 H new ATOM 0 HG2 ARG B 79 23.572 -2.097 4.802 1.00 0.33 H new ATOM 0 HG3 ARG B 79 24.283 -2.333 3.218 1.00 0.33 H new ATOM 0 HD2 ARG B 79 25.692 -0.691 4.007 1.00 0.56 H new ATOM 0 HD3 ARG B 79 24.476 0.324 3.257 1.00 0.56 H new ATOM 0 HE ARG B 79 24.366 -0.340 6.179 1.00 1.04 H new ATOM 0 HH11 ARG B 79 24.335 1.980 3.514 1.00 1.06 H new ATOM 0 HH12 ARG B 79 24.015 3.360 4.570 1.00 1.06 H new ATOM 0 HH21 ARG B 79 23.973 1.429 7.526 1.00 2.22 H new ATOM 0 HH22 ARG B 79 23.810 3.048 6.839 1.00 2.22 H new ATOM 2924 N SER B 80 20.891 -3.959 4.735 1.00 0.25 N ATOM 2925 CA SER B 80 20.250 -4.393 5.963 1.00 0.33 C ATOM 2926 C SER B 80 21.008 -3.852 7.174 1.00 0.32 C ATOM 2927 O SER B 80 22.089 -3.275 7.033 1.00 0.32 O ATOM 2928 CB SER B 80 20.193 -5.924 5.998 1.00 0.46 C ATOM 2929 OG SER B 80 19.598 -6.401 7.192 1.00 1.06 O ATOM 0 H SER B 80 21.436 -4.682 4.267 1.00 0.25 H new ATOM 0 HA SER B 80 19.233 -4.002 5.997 1.00 0.33 H new ATOM 0 HB2 SER B 80 19.627 -6.286 5.140 1.00 0.46 H new ATOM 0 HB3 SER B 80 21.202 -6.327 5.908 1.00 0.46 H new ATOM 0 HG SER B 80 19.577 -7.381 7.178 1.00 1.06 H new ATOM 2935 N LYS B 81 20.442 -4.047 8.363 1.00 0.35 N ATOM 2936 CA LYS B 81 21.061 -3.586 9.603 1.00 0.37 C ATOM 2937 C LYS B 81 22.405 -4.285 9.815 1.00 0.40 C ATOM 2938 O LYS B 81 23.263 -3.811 10.558 1.00 0.48 O ATOM 2939 CB LYS B 81 20.127 -3.855 10.789 1.00 0.41 C ATOM 2940 CG LYS B 81 20.588 -3.232 12.098 1.00 0.45 C ATOM 2941 CD LYS B 81 20.623 -1.713 12.018 1.00 0.47 C ATOM 2942 CE LYS B 81 21.168 -1.102 13.294 1.00 0.67 C ATOM 2943 NZ LYS B 81 21.356 0.368 13.173 1.00 1.69 N ATOM 0 H LYS B 81 19.550 -4.524 8.494 1.00 0.35 H new ATOM 0 HA LYS B 81 21.236 -2.512 9.532 1.00 0.37 H new ATOM 0 HB2 LYS B 81 19.134 -3.475 10.549 1.00 0.41 H new ATOM 0 HB3 LYS B 81 20.032 -4.932 10.926 1.00 0.41 H new ATOM 0 HG2 LYS B 81 19.919 -3.539 12.902 1.00 0.45 H new ATOM 0 HG3 LYS B 81 21.581 -3.606 12.349 1.00 0.45 H new ATOM 0 HD2 LYS B 81 21.240 -1.406 11.174 1.00 0.47 H new ATOM 0 HD3 LYS B 81 19.618 -1.334 11.832 1.00 0.47 H new ATOM 0 HE2 LYS B 81 20.486 -1.313 14.117 1.00 0.67 H new ATOM 0 HE3 LYS B 81 22.121 -1.570 13.542 1.00 0.67 H new ATOM 0 HZ1 LYS B 81 21.649 0.757 14.092 1.00 1.69 H new ATOM 0 HZ2 LYS B 81 22.089 0.567 12.463 1.00 1.69 H new ATOM 0 HZ3 LYS B 81 20.461 0.809 12.879 1.00 1.69 H new ATOM 2957 N ASN B 82 22.580 -5.411 9.134 1.00 0.39 N ATOM 2958 CA ASN B 82 23.809 -6.193 9.221 1.00 0.45 C ATOM 2959 C ASN B 82 24.866 -5.626 8.273 1.00 0.43 C ATOM 2960 O ASN B 82 25.955 -6.188 8.133 1.00 0.50 O ATOM 2961 CB ASN B 82 23.527 -7.662 8.873 1.00 0.53 C ATOM 2962 CG ASN B 82 22.288 -8.201 9.568 1.00 0.95 C ATOM 2963 OD1 ASN B 82 22.035 -7.909 10.736 1.00 1.75 O ATOM 2964 ND2 ASN B 82 21.498 -8.978 8.848 1.00 0.81 N ATOM 0 H ASN B 82 21.878 -5.807 8.509 1.00 0.39 H new ATOM 0 HA ASN B 82 24.186 -6.137 10.242 1.00 0.45 H new ATOM 0 HB2 ASN B 82 23.405 -7.759 7.794 1.00 0.53 H new ATOM 0 HB3 ASN B 82 24.388 -8.269 9.152 1.00 0.53 H new ATOM 0 HD21 ASN B 82 20.645 -9.358 9.258 1.00 0.81 H new ATOM 0 HD22 ASN B 82 21.741 -9.198 7.882 1.00 0.81 H new ATOM 2971 N GLN B 83 24.524 -4.505 7.627 1.00 0.37 N ATOM 2972 CA GLN B 83 25.409 -3.826 6.681 1.00 0.40 C ATOM 2973 C GLN B 83 25.643 -4.688 5.444 1.00 0.37 C ATOM 2974 O GLN B 83 26.644 -4.538 4.740 1.00 0.46 O ATOM 2975 CB GLN B 83 26.736 -3.446 7.350 1.00 0.53 C ATOM 2976 CG GLN B 83 26.845 -1.965 7.693 1.00 0.63 C ATOM 2977 CD GLN B 83 25.610 -1.427 8.393 1.00 0.90 C ATOM 2978 OE1 GLN B 83 24.658 -0.992 7.745 1.00 1.62 O ATOM 2979 NE2 GLN B 83 25.620 -1.437 9.716 1.00 0.87 N ATOM 0 H GLN B 83 23.622 -4.044 7.748 1.00 0.37 H new ATOM 0 HA GLN B 83 24.922 -2.905 6.360 1.00 0.40 H new ATOM 0 HB2 GLN B 83 26.854 -4.031 8.262 1.00 0.53 H new ATOM 0 HB3 GLN B 83 27.558 -3.718 6.688 1.00 0.53 H new ATOM 0 HG2 GLN B 83 27.715 -1.808 8.331 1.00 0.63 H new ATOM 0 HG3 GLN B 83 27.014 -1.397 6.778 1.00 0.63 H new ATOM 0 HE21 GLN B 83 26.428 -1.806 10.217 1.00 0.87 H new ATOM 0 HE22 GLN B 83 24.820 -1.076 10.235 1.00 0.87 H new ATOM 2988 N GLU B 84 24.696 -5.579 5.185 1.00 0.37 N ATOM 2989 CA GLU B 84 24.762 -6.472 4.041 1.00 0.38 C ATOM 2990 C GLU B 84 23.837 -5.966 2.941 1.00 0.31 C ATOM 2991 O GLU B 84 22.993 -5.104 3.188 1.00 0.42 O ATOM 2992 CB GLU B 84 24.365 -7.891 4.454 1.00 0.53 C ATOM 2993 CG GLU B 84 22.940 -7.992 4.976 1.00 1.22 C ATOM 2994 CD GLU B 84 22.497 -9.423 5.204 1.00 2.08 C ATOM 2995 OE1 GLU B 84 22.552 -10.227 4.250 1.00 2.45 O ATOM 2996 OE2 GLU B 84 22.085 -9.751 6.336 1.00 2.78 O ATOM 0 H GLU B 84 23.863 -5.702 5.761 1.00 0.37 H new ATOM 0 HA GLU B 84 25.785 -6.494 3.665 1.00 0.38 H new ATOM 0 HB2 GLU B 84 24.478 -8.556 3.598 1.00 0.53 H new ATOM 0 HB3 GLU B 84 25.052 -8.243 5.224 1.00 0.53 H new ATOM 0 HG2 GLU B 84 22.861 -7.439 5.912 1.00 1.22 H new ATOM 0 HG3 GLU B 84 22.264 -7.516 4.266 1.00 1.22 H new ATOM 3003 N TRP B 85 23.987 -6.500 1.741 1.00 0.32 N ATOM 3004 CA TRP B 85 23.161 -6.082 0.618 1.00 0.33 C ATOM 3005 C TRP B 85 22.249 -7.217 0.176 1.00 0.33 C ATOM 3006 O TRP B 85 22.718 -8.288 -0.216 1.00 0.45 O ATOM 3007 CB TRP B 85 24.029 -5.637 -0.563 1.00 0.41 C ATOM 3008 CG TRP B 85 25.279 -4.915 -0.164 1.00 0.42 C ATOM 3009 CD1 TRP B 85 26.522 -5.458 -0.005 1.00 0.66 C ATOM 3010 CD2 TRP B 85 25.411 -3.517 0.123 1.00 0.50 C ATOM 3011 NE1 TRP B 85 27.417 -4.485 0.362 1.00 0.63 N ATOM 3012 CE2 TRP B 85 26.760 -3.285 0.449 1.00 0.50 C ATOM 3013 CE3 TRP B 85 24.520 -2.440 0.138 1.00 0.84 C ATOM 3014 CZ2 TRP B 85 27.239 -2.022 0.784 1.00 0.67 C ATOM 3015 CZ3 TRP B 85 24.998 -1.186 0.469 1.00 1.10 C ATOM 3016 CH2 TRP B 85 26.346 -0.986 0.788 1.00 0.97 C ATOM 0 H TRP B 85 24.671 -7.223 1.518 1.00 0.32 H new ATOM 0 HA TRP B 85 22.554 -5.239 0.947 1.00 0.33 H new ATOM 0 HB2 TRP B 85 24.300 -6.513 -1.151 1.00 0.41 H new ATOM 0 HB3 TRP B 85 23.438 -4.989 -1.210 1.00 0.41 H new ATOM 0 HD1 TRP B 85 26.765 -6.501 -0.147 1.00 0.66 H new ATOM 0 HE1 TRP B 85 28.410 -4.631 0.541 1.00 0.63 H new ATOM 0 HE3 TRP B 85 23.478 -2.585 -0.105 1.00 0.84 H new ATOM 0 HZ2 TRP B 85 28.278 -1.866 1.032 1.00 0.67 H new ATOM 0 HZ3 TRP B 85 24.319 -0.346 0.482 1.00 1.10 H new ATOM 0 HH2 TRP B 85 26.688 0.006 1.042 1.00 0.97 H new ATOM 3027 N LEU B 86 20.951 -6.981 0.236 1.00 0.28 N ATOM 3028 CA LEU B 86 19.977 -7.982 -0.163 1.00 0.29 C ATOM 3029 C LEU B 86 19.136 -7.468 -1.325 1.00 0.26 C ATOM 3030 O LEU B 86 18.867 -6.269 -1.422 1.00 0.28 O ATOM 3031 CB LEU B 86 19.083 -8.368 1.023 1.00 0.34 C ATOM 3032 CG LEU B 86 18.860 -7.275 2.072 1.00 0.42 C ATOM 3033 CD1 LEU B 86 17.716 -6.358 1.667 1.00 0.96 C ATOM 3034 CD2 LEU B 86 18.586 -7.896 3.431 1.00 1.03 C ATOM 0 H LEU B 86 20.545 -6.102 0.558 1.00 0.28 H new ATOM 0 HA LEU B 86 20.511 -8.874 -0.491 1.00 0.29 H new ATOM 0 HB2 LEU B 86 18.112 -8.678 0.636 1.00 0.34 H new ATOM 0 HB3 LEU B 86 19.521 -9.235 1.517 1.00 0.34 H new ATOM 0 HG LEU B 86 19.768 -6.675 2.137 1.00 0.42 H new ATOM 0 HD11 LEU B 86 17.578 -5.590 2.429 1.00 0.96 H new ATOM 0 HD12 LEU B 86 17.949 -5.885 0.713 1.00 0.96 H new ATOM 0 HD13 LEU B 86 16.800 -6.941 1.569 1.00 0.96 H new ATOM 0 HD21 LEU B 86 18.429 -7.107 4.167 1.00 1.03 H new ATOM 0 HD22 LEU B 86 17.694 -8.520 3.373 1.00 1.03 H new ATOM 0 HD23 LEU B 86 19.438 -8.507 3.730 1.00 1.03 H new ATOM 3046 N TRP B 87 18.730 -8.374 -2.204 1.00 0.28 N ATOM 3047 CA TRP B 87 17.925 -8.010 -3.359 1.00 0.29 C ATOM 3048 C TRP B 87 16.478 -7.794 -2.943 1.00 0.29 C ATOM 3049 O TRP B 87 15.727 -8.746 -2.722 1.00 0.39 O ATOM 3050 CB TRP B 87 18.020 -9.086 -4.441 1.00 0.33 C ATOM 3051 CG TRP B 87 19.340 -9.092 -5.151 1.00 0.38 C ATOM 3052 CD1 TRP B 87 20.366 -9.971 -4.963 1.00 0.47 C ATOM 3053 CD2 TRP B 87 19.778 -8.171 -6.159 1.00 0.40 C ATOM 3054 NE1 TRP B 87 21.412 -9.659 -5.796 1.00 0.53 N ATOM 3055 CE2 TRP B 87 21.076 -8.559 -6.540 1.00 0.48 C ATOM 3056 CE3 TRP B 87 19.199 -7.060 -6.778 1.00 0.43 C ATOM 3057 CZ2 TRP B 87 21.804 -7.876 -7.511 1.00 0.53 C ATOM 3058 CZ3 TRP B 87 19.923 -6.381 -7.740 1.00 0.50 C ATOM 3059 CH2 TRP B 87 21.212 -6.791 -8.098 1.00 0.53 C ATOM 0 H TRP B 87 18.946 -9.369 -2.138 1.00 0.28 H new ATOM 0 HA TRP B 87 18.310 -7.078 -3.772 1.00 0.29 H new ATOM 0 HB2 TRP B 87 17.853 -10.063 -3.988 1.00 0.33 H new ATOM 0 HB3 TRP B 87 17.223 -8.932 -5.169 1.00 0.33 H new ATOM 0 HD1 TRP B 87 20.357 -10.792 -4.262 1.00 0.47 H new ATOM 0 HE1 TRP B 87 22.296 -10.165 -5.852 1.00 0.53 H new ATOM 0 HE3 TRP B 87 18.204 -6.738 -6.510 1.00 0.43 H new ATOM 0 HZ2 TRP B 87 22.799 -8.191 -7.790 1.00 0.53 H new ATOM 0 HZ3 TRP B 87 19.486 -5.520 -8.223 1.00 0.50 H new ATOM 0 HH2 TRP B 87 21.751 -6.239 -8.854 1.00 0.53 H new ATOM 3070 N MET B 88 16.101 -6.536 -2.833 1.00 0.31 N ATOM 3071 CA MET B 88 14.761 -6.173 -2.420 1.00 0.39 C ATOM 3072 C MET B 88 14.004 -5.512 -3.561 1.00 0.37 C ATOM 3073 O MET B 88 14.521 -4.611 -4.225 1.00 0.40 O ATOM 3074 CB MET B 88 14.829 -5.225 -1.221 1.00 0.52 C ATOM 3075 CG MET B 88 13.483 -4.958 -0.573 1.00 0.73 C ATOM 3076 SD MET B 88 12.908 -6.346 0.424 1.00 1.53 S ATOM 3077 CE MET B 88 14.102 -6.336 1.759 1.00 0.91 C ATOM 0 H MET B 88 16.711 -5.741 -3.026 1.00 0.31 H new ATOM 0 HA MET B 88 14.228 -7.080 -2.136 1.00 0.39 H new ATOM 0 HB2 MET B 88 15.504 -5.646 -0.475 1.00 0.52 H new ATOM 0 HB3 MET B 88 15.261 -4.277 -1.543 1.00 0.52 H new ATOM 0 HG2 MET B 88 13.556 -4.070 0.055 1.00 0.73 H new ATOM 0 HG3 MET B 88 12.747 -4.742 -1.348 1.00 0.73 H new ATOM 0 HE1 MET B 88 14.645 -7.281 1.768 1.00 0.91 H new ATOM 0 HE2 MET B 88 14.804 -5.515 1.613 1.00 0.91 H new ATOM 0 HE3 MET B 88 13.584 -6.206 2.709 1.00 0.91 H new ATOM 3087 N ARG B 89 12.791 -5.980 -3.803 1.00 0.36 N ATOM 3088 CA ARG B 89 11.949 -5.422 -4.843 1.00 0.37 C ATOM 3089 C ARG B 89 10.888 -4.537 -4.202 1.00 0.36 C ATOM 3090 O ARG B 89 9.813 -5.003 -3.818 1.00 0.42 O ATOM 3091 CB ARG B 89 11.296 -6.533 -5.663 1.00 0.44 C ATOM 3092 CG ARG B 89 10.555 -6.027 -6.887 1.00 0.58 C ATOM 3093 CD ARG B 89 9.293 -6.831 -7.139 1.00 0.97 C ATOM 3094 NE ARG B 89 8.346 -6.728 -6.029 1.00 2.01 N ATOM 3095 CZ ARG B 89 7.179 -7.370 -5.986 1.00 2.63 C ATOM 3096 NH1 ARG B 89 6.819 -8.178 -6.976 1.00 2.41 N ATOM 3097 NH2 ARG B 89 6.376 -7.219 -4.941 1.00 3.80 N ATOM 0 H ARG B 89 12.366 -6.751 -3.288 1.00 0.36 H new ATOM 0 HA ARG B 89 12.560 -4.825 -5.519 1.00 0.37 H new ATOM 0 HB2 ARG B 89 12.064 -7.239 -5.979 1.00 0.44 H new ATOM 0 HB3 ARG B 89 10.600 -7.081 -5.028 1.00 0.44 H new ATOM 0 HG2 ARG B 89 10.298 -4.976 -6.751 1.00 0.58 H new ATOM 0 HG3 ARG B 89 11.206 -6.086 -7.759 1.00 0.58 H new ATOM 0 HD2 ARG B 89 8.817 -6.481 -8.055 1.00 0.97 H new ATOM 0 HD3 ARG B 89 9.555 -7.877 -7.296 1.00 0.97 H new ATOM 0 HE ARG B 89 8.594 -6.129 -5.241 1.00 2.01 H new ATOM 0 HH11 ARG B 89 7.437 -8.311 -7.776 1.00 2.41 H new ATOM 0 HH12 ARG B 89 5.924 -8.666 -6.936 1.00 2.41 H new ATOM 0 HH21 ARG B 89 6.652 -6.611 -4.170 1.00 3.80 H new ATOM 0 HH22 ARG B 89 5.483 -7.711 -4.909 1.00 3.80 H new ATOM 3111 N THR B 90 11.210 -3.266 -4.073 1.00 0.33 N ATOM 3112 CA THR B 90 10.320 -2.303 -3.455 1.00 0.34 C ATOM 3113 C THR B 90 9.251 -1.803 -4.423 1.00 0.31 C ATOM 3114 O THR B 90 9.548 -1.108 -5.396 1.00 0.34 O ATOM 3115 CB THR B 90 11.126 -1.108 -2.915 1.00 0.38 C ATOM 3116 OG1 THR B 90 12.143 -1.579 -2.023 1.00 0.43 O ATOM 3117 CG2 THR B 90 10.229 -0.120 -2.189 1.00 0.43 C ATOM 0 H THR B 90 12.095 -2.871 -4.393 1.00 0.33 H new ATOM 0 HA THR B 90 9.814 -2.811 -2.634 1.00 0.34 H new ATOM 0 HB THR B 90 11.582 -0.595 -3.761 1.00 0.38 H new ATOM 0 HG1 THR B 90 11.802 -1.569 -1.104 1.00 0.43 H new ATOM 0 HG21 THR B 90 10.828 0.712 -1.820 1.00 0.43 H new ATOM 0 HG22 THR B 90 9.471 0.256 -2.876 1.00 0.43 H new ATOM 0 HG23 THR B 90 9.744 -0.618 -1.350 1.00 0.43 H new ATOM 3125 N SER B 91 8.009 -2.178 -4.158 1.00 0.28 N ATOM 3126 CA SER B 91 6.888 -1.750 -4.975 1.00 0.27 C ATOM 3127 C SER B 91 6.381 -0.406 -4.463 1.00 0.23 C ATOM 3128 O SER B 91 5.862 -0.314 -3.351 1.00 0.28 O ATOM 3129 CB SER B 91 5.775 -2.799 -4.934 1.00 0.36 C ATOM 3130 OG SER B 91 6.266 -4.068 -5.329 1.00 0.97 O ATOM 0 H SER B 91 7.753 -2.782 -3.377 1.00 0.28 H new ATOM 0 HA SER B 91 7.210 -1.639 -6.010 1.00 0.27 H new ATOM 0 HB2 SER B 91 5.364 -2.861 -3.926 1.00 0.36 H new ATOM 0 HB3 SER B 91 4.961 -2.498 -5.593 1.00 0.36 H new ATOM 0 HG SER B 91 5.540 -4.725 -5.295 1.00 0.97 H new ATOM 3136 N SER B 92 6.561 0.635 -5.261 1.00 0.23 N ATOM 3137 CA SER B 92 6.144 1.975 -4.876 1.00 0.28 C ATOM 3138 C SER B 92 4.846 2.379 -5.571 1.00 0.26 C ATOM 3139 O SER B 92 4.698 2.211 -6.778 1.00 0.36 O ATOM 3140 CB SER B 92 7.251 2.970 -5.214 1.00 0.36 C ATOM 3141 OG SER B 92 8.486 2.557 -4.653 1.00 1.27 O ATOM 0 H SER B 92 6.995 0.577 -6.182 1.00 0.23 H new ATOM 0 HA SER B 92 5.959 1.980 -3.802 1.00 0.28 H new ATOM 0 HB2 SER B 92 7.349 3.058 -6.296 1.00 0.36 H new ATOM 0 HB3 SER B 92 6.987 3.958 -4.836 1.00 0.36 H new ATOM 0 HG SER B 92 9.223 2.869 -5.219 1.00 1.27 H new ATOM 3147 N PHE B 93 3.909 2.902 -4.794 1.00 0.25 N ATOM 3148 CA PHE B 93 2.622 3.345 -5.312 1.00 0.27 C ATOM 3149 C PHE B 93 2.433 4.836 -5.043 1.00 0.25 C ATOM 3150 O PHE B 93 2.557 5.291 -3.902 1.00 0.25 O ATOM 3151 CB PHE B 93 1.492 2.544 -4.654 1.00 0.33 C ATOM 3152 CG PHE B 93 0.126 2.814 -5.228 1.00 0.37 C ATOM 3153 CD1 PHE B 93 -0.661 3.844 -4.732 1.00 0.35 C ATOM 3154 CD2 PHE B 93 -0.372 2.035 -6.260 1.00 0.47 C ATOM 3155 CE1 PHE B 93 -1.914 4.092 -5.258 1.00 0.41 C ATOM 3156 CE2 PHE B 93 -1.625 2.278 -6.789 1.00 0.54 C ATOM 3157 CZ PHE B 93 -2.396 3.307 -6.287 1.00 0.50 C ATOM 0 H PHE B 93 4.019 3.031 -3.788 1.00 0.25 H new ATOM 0 HA PHE B 93 2.596 3.177 -6.389 1.00 0.27 H new ATOM 0 HB2 PHE B 93 1.711 1.481 -4.752 1.00 0.33 H new ATOM 0 HB3 PHE B 93 1.476 2.769 -3.588 1.00 0.33 H new ATOM 0 HD1 PHE B 93 -0.289 4.459 -3.925 1.00 0.35 H new ATOM 0 HD2 PHE B 93 0.227 1.228 -6.656 1.00 0.47 H new ATOM 0 HE1 PHE B 93 -2.516 4.898 -4.865 1.00 0.41 H new ATOM 0 HE2 PHE B 93 -2.001 1.664 -7.594 1.00 0.54 H new ATOM 0 HZ PHE B 93 -3.376 3.498 -6.699 1.00 0.50 H new ATOM 3167 N THR B 94 2.149 5.596 -6.092 1.00 0.30 N ATOM 3168 CA THR B 94 1.939 7.031 -5.961 1.00 0.31 C ATOM 3169 C THR B 94 0.580 7.331 -5.337 1.00 0.33 C ATOM 3170 O THR B 94 -0.456 7.186 -5.987 1.00 0.37 O ATOM 3171 CB THR B 94 2.024 7.728 -7.329 1.00 0.38 C ATOM 3172 OG1 THR B 94 2.333 6.766 -8.351 1.00 0.59 O ATOM 3173 CG2 THR B 94 3.080 8.822 -7.311 1.00 0.37 C ATOM 0 H THR B 94 2.059 5.242 -7.044 1.00 0.30 H new ATOM 0 HA THR B 94 2.726 7.413 -5.311 1.00 0.31 H new ATOM 0 HB THR B 94 1.058 8.184 -7.544 1.00 0.38 H new ATOM 0 HG1 THR B 94 2.988 7.148 -8.972 1.00 0.59 H new ATOM 0 HG21 THR B 94 3.123 9.302 -8.289 1.00 0.37 H new ATOM 0 HG22 THR B 94 2.823 9.563 -6.554 1.00 0.37 H new ATOM 0 HG23 THR B 94 4.051 8.386 -7.077 1.00 0.37 H new ATOM 3181 N PHE B 95 0.590 7.746 -4.078 1.00 0.35 N ATOM 3182 CA PHE B 95 -0.642 8.059 -3.375 1.00 0.41 C ATOM 3183 C PHE B 95 -0.978 9.540 -3.511 1.00 0.45 C ATOM 3184 O PHE B 95 -0.491 10.376 -2.745 1.00 0.49 O ATOM 3185 CB PHE B 95 -0.527 7.672 -1.896 1.00 0.48 C ATOM 3186 CG PHE B 95 -1.838 7.685 -1.160 1.00 0.56 C ATOM 3187 CD1 PHE B 95 -2.676 6.580 -1.191 1.00 0.95 C ATOM 3188 CD2 PHE B 95 -2.232 8.799 -0.435 1.00 0.91 C ATOM 3189 CE1 PHE B 95 -3.880 6.587 -0.514 1.00 1.03 C ATOM 3190 CE2 PHE B 95 -3.435 8.811 0.244 1.00 0.98 C ATOM 3191 CZ PHE B 95 -4.259 7.703 0.204 1.00 0.78 C ATOM 0 H PHE B 95 1.437 7.873 -3.525 1.00 0.35 H new ATOM 0 HA PHE B 95 -1.449 7.481 -3.825 1.00 0.41 H new ATOM 0 HB2 PHE B 95 -0.091 6.676 -1.824 1.00 0.48 H new ATOM 0 HB3 PHE B 95 0.162 8.358 -1.403 1.00 0.48 H new ATOM 0 HD1 PHE B 95 -2.384 5.704 -1.751 1.00 0.95 H new ATOM 0 HD2 PHE B 95 -1.591 9.668 -0.401 1.00 0.91 H new ATOM 0 HE1 PHE B 95 -4.524 5.720 -0.547 1.00 1.03 H new ATOM 0 HE2 PHE B 95 -3.731 9.685 0.805 1.00 0.98 H new ATOM 0 HZ PHE B 95 -5.200 7.710 0.735 1.00 0.78 H new ATOM 3201 N GLN B 96 -1.785 9.863 -4.508 1.00 0.51 N ATOM 3202 CA GLN B 96 -2.200 11.237 -4.735 1.00 0.56 C ATOM 3203 C GLN B 96 -3.718 11.328 -4.730 1.00 0.63 C ATOM 3204 O GLN B 96 -4.407 10.395 -5.148 1.00 0.71 O ATOM 3205 CB GLN B 96 -1.629 11.799 -6.046 1.00 0.60 C ATOM 3206 CG GLN B 96 -1.184 10.751 -7.055 1.00 0.74 C ATOM 3207 CD GLN B 96 -2.336 10.189 -7.859 1.00 0.88 C ATOM 3208 OE1 GLN B 96 -2.861 9.121 -7.549 1.00 1.41 O ATOM 3209 NE2 GLN B 96 -2.753 10.915 -8.884 1.00 0.91 N ATOM 0 H GLN B 96 -2.166 9.191 -5.174 1.00 0.51 H new ATOM 0 HA GLN B 96 -1.801 11.845 -3.923 1.00 0.56 H new ATOM 0 HB2 GLN B 96 -2.384 12.432 -6.512 1.00 0.60 H new ATOM 0 HB3 GLN B 96 -0.778 12.438 -5.810 1.00 0.60 H new ATOM 0 HG2 GLN B 96 -0.454 11.193 -7.733 1.00 0.74 H new ATOM 0 HG3 GLN B 96 -0.681 9.938 -6.531 1.00 0.74 H new ATOM 0 HE21 GLN B 96 -2.289 11.796 -9.107 1.00 0.91 H new ATOM 0 HE22 GLN B 96 -3.538 10.594 -9.451 1.00 0.91 H new ATOM 3218 N ASN B 97 -4.233 12.446 -4.246 1.00 0.73 N ATOM 3219 CA ASN B 97 -5.671 12.653 -4.171 1.00 0.91 C ATOM 3220 C ASN B 97 -6.239 12.955 -5.551 1.00 0.97 C ATOM 3221 O ASN B 97 -5.666 13.741 -6.306 1.00 0.97 O ATOM 3222 CB ASN B 97 -5.998 13.792 -3.202 1.00 1.06 C ATOM 3223 CG ASN B 97 -5.593 13.472 -1.778 1.00 1.43 C ATOM 3224 OD1 ASN B 97 -6.132 12.556 -1.157 1.00 1.94 O ATOM 3225 ND2 ASN B 97 -4.650 14.233 -1.249 1.00 1.65 N ATOM 0 H ASN B 97 -3.676 13.226 -3.898 1.00 0.73 H new ATOM 0 HA ASN B 97 -6.131 11.737 -3.799 1.00 0.91 H new ATOM 0 HB2 ASN B 97 -5.489 14.699 -3.527 1.00 1.06 H new ATOM 0 HB3 ASN B 97 -7.068 13.998 -3.235 1.00 1.06 H new ATOM 0 HD21 ASN B 97 -4.342 14.071 -0.290 1.00 1.65 H new ATOM 0 HD22 ASN B 97 -4.230 14.982 -1.800 1.00 1.65 H new ATOM 3232 N PRO B 98 -7.384 12.344 -5.893 1.00 1.12 N ATOM 3233 CA PRO B 98 -8.039 12.535 -7.195 1.00 1.28 C ATOM 3234 C PRO B 98 -8.810 13.851 -7.277 1.00 1.35 C ATOM 3235 O PRO B 98 -9.834 13.945 -7.956 1.00 1.41 O ATOM 3236 CB PRO B 98 -9.006 11.356 -7.258 1.00 1.50 C ATOM 3237 CG PRO B 98 -9.376 11.109 -5.836 1.00 1.51 C ATOM 3238 CD PRO B 98 -8.139 11.410 -5.032 1.00 1.26 C ATOM 0 HA PRO B 98 -7.321 12.577 -8.014 1.00 1.28 H new ATOM 0 HB2 PRO B 98 -9.882 11.592 -7.862 1.00 1.50 H new ATOM 0 HB3 PRO B 98 -8.537 10.480 -7.705 1.00 1.50 H new ATOM 0 HG2 PRO B 98 -10.205 11.747 -5.531 1.00 1.51 H new ATOM 0 HG3 PRO B 98 -9.697 10.078 -5.689 1.00 1.51 H new ATOM 0 HD2 PRO B 98 -8.385 11.861 -4.071 1.00 1.26 H new ATOM 0 HD3 PRO B 98 -7.567 10.506 -4.823 1.00 1.26 H new ATOM 3246 N TYR B 99 -8.310 14.865 -6.589 1.00 1.39 N ATOM 3247 CA TYR B 99 -8.956 16.166 -6.574 1.00 1.52 C ATOM 3248 C TYR B 99 -8.082 17.199 -7.270 1.00 1.54 C ATOM 3249 O TYR B 99 -8.458 17.747 -8.304 1.00 1.80 O ATOM 3250 CB TYR B 99 -9.255 16.592 -5.136 1.00 1.68 C ATOM 3251 CG TYR B 99 -9.956 15.520 -4.331 1.00 1.87 C ATOM 3252 CD1 TYR B 99 -11.164 14.983 -4.760 1.00 1.83 C ATOM 3253 CD2 TYR B 99 -9.406 15.034 -3.151 1.00 2.26 C ATOM 3254 CE1 TYR B 99 -11.803 13.994 -4.039 1.00 2.10 C ATOM 3255 CE2 TYR B 99 -10.041 14.046 -2.422 1.00 2.61 C ATOM 3256 CZ TYR B 99 -11.239 13.530 -2.871 1.00 2.50 C ATOM 3257 OH TYR B 99 -11.870 12.543 -2.151 1.00 2.90 O ATOM 0 H TYR B 99 -7.457 14.811 -6.033 1.00 1.39 H new ATOM 0 HA TYR B 99 -9.899 16.095 -7.115 1.00 1.52 H new ATOM 0 HB2 TYR B 99 -8.321 16.857 -4.641 1.00 1.68 H new ATOM 0 HB3 TYR B 99 -9.874 17.489 -5.151 1.00 1.68 H new ATOM 0 HD1 TYR B 99 -11.611 15.346 -5.674 1.00 1.83 H new ATOM 0 HD2 TYR B 99 -8.467 15.435 -2.798 1.00 2.26 H new ATOM 0 HE1 TYR B 99 -12.740 13.586 -4.389 1.00 2.10 H new ATOM 0 HE2 TYR B 99 -9.602 13.680 -1.506 1.00 2.61 H new ATOM 0 HH TYR B 99 -11.764 12.719 -1.193 1.00 2.90 H new ATOM 3267 N SER B 100 -6.912 17.453 -6.708 1.00 1.37 N ATOM 3268 CA SER B 100 -5.987 18.411 -7.286 1.00 1.42 C ATOM 3269 C SER B 100 -4.698 17.706 -7.697 1.00 1.24 C ATOM 3270 O SER B 100 -3.723 18.353 -8.091 1.00 1.29 O ATOM 3271 CB SER B 100 -5.686 19.526 -6.279 1.00 1.52 C ATOM 3272 OG SER B 100 -6.861 19.913 -5.580 1.00 2.27 O ATOM 0 H SER B 100 -6.581 17.008 -5.852 1.00 1.37 H new ATOM 0 HA SER B 100 -6.442 18.855 -8.171 1.00 1.42 H new ATOM 0 HB2 SER B 100 -4.932 19.186 -5.569 1.00 1.52 H new ATOM 0 HB3 SER B 100 -5.268 20.388 -6.800 1.00 1.52 H new ATOM 0 HG SER B 100 -6.643 20.624 -4.942 1.00 2.27 H new ATOM 3278 N ASP B 101 -4.713 16.370 -7.603 1.00 1.08 N ATOM 3279 CA ASP B 101 -3.561 15.534 -7.946 1.00 0.96 C ATOM 3280 C ASP B 101 -2.410 15.814 -6.987 1.00 0.87 C ATOM 3281 O ASP B 101 -1.242 15.884 -7.379 1.00 0.91 O ATOM 3282 CB ASP B 101 -3.133 15.759 -9.401 1.00 1.15 C ATOM 3283 CG ASP B 101 -2.101 14.753 -9.877 1.00 1.33 C ATOM 3284 OD1 ASP B 101 -2.282 13.540 -9.638 1.00 1.27 O ATOM 3285 OD2 ASP B 101 -1.114 15.179 -10.514 1.00 2.06 O ATOM 0 H ASP B 101 -5.525 15.841 -7.287 1.00 1.08 H new ATOM 0 HA ASP B 101 -3.848 14.487 -7.847 1.00 0.96 H new ATOM 0 HB2 ASP B 101 -4.011 15.703 -10.045 1.00 1.15 H new ATOM 0 HB3 ASP B 101 -2.726 16.765 -9.503 1.00 1.15 H new ATOM 3290 N GLU B 102 -2.754 15.990 -5.720 1.00 0.88 N ATOM 3291 CA GLU B 102 -1.765 16.259 -4.690 1.00 0.85 C ATOM 3292 C GLU B 102 -1.112 14.964 -4.239 1.00 0.72 C ATOM 3293 O GLU B 102 -1.729 14.158 -3.540 1.00 0.72 O ATOM 3294 CB GLU B 102 -2.401 16.959 -3.485 1.00 1.03 C ATOM 3295 CG GLU B 102 -3.557 17.875 -3.842 1.00 1.30 C ATOM 3296 CD GLU B 102 -4.891 17.170 -3.739 1.00 1.72 C ATOM 3297 OE1 GLU B 102 -5.283 16.492 -4.709 1.00 2.51 O ATOM 3298 OE2 GLU B 102 -5.549 17.280 -2.684 1.00 1.82 O ATOM 0 H GLU B 102 -3.715 15.951 -5.381 1.00 0.88 H new ATOM 0 HA GLU B 102 -1.009 16.919 -5.116 1.00 0.85 H new ATOM 0 HB2 GLU B 102 -2.753 16.203 -2.783 1.00 1.03 H new ATOM 0 HB3 GLU B 102 -1.636 17.540 -2.970 1.00 1.03 H new ATOM 0 HG2 GLU B 102 -3.552 18.740 -3.179 1.00 1.30 H new ATOM 0 HG3 GLU B 102 -3.422 18.250 -4.857 1.00 1.30 H new ATOM 3305 N ILE B 103 0.124 14.751 -4.669 1.00 0.68 N ATOM 3306 CA ILE B 103 0.862 13.556 -4.295 1.00 0.59 C ATOM 3307 C ILE B 103 1.380 13.711 -2.874 1.00 0.61 C ATOM 3308 O ILE B 103 2.432 14.314 -2.647 1.00 0.74 O ATOM 3309 CB ILE B 103 2.043 13.282 -5.249 1.00 0.62 C ATOM 3310 CG1 ILE B 103 1.597 13.443 -6.705 1.00 0.67 C ATOM 3311 CG2 ILE B 103 2.598 11.882 -5.012 1.00 0.56 C ATOM 3312 CD1 ILE B 103 2.740 13.439 -7.695 1.00 0.99 C ATOM 0 H ILE B 103 0.635 15.391 -5.277 1.00 0.68 H new ATOM 0 HA ILE B 103 0.181 12.707 -4.362 1.00 0.59 H new ATOM 0 HB ILE B 103 2.832 14.006 -5.047 1.00 0.62 H new ATOM 0 HG12 ILE B 103 0.908 12.637 -6.956 1.00 0.67 H new ATOM 0 HG13 ILE B 103 1.044 14.377 -6.805 1.00 0.67 H new ATOM 0 HG21 ILE B 103 3.431 11.701 -5.691 1.00 0.56 H new ATOM 0 HG22 ILE B 103 2.945 11.798 -3.982 1.00 0.56 H new ATOM 0 HG23 ILE B 103 1.816 11.145 -5.193 1.00 0.56 H new ATOM 0 HD11 ILE B 103 2.347 13.557 -8.705 1.00 0.99 H new ATOM 0 HD12 ILE B 103 3.418 14.262 -7.471 1.00 0.99 H new ATOM 0 HD13 ILE B 103 3.280 12.495 -7.624 1.00 0.99 H new ATOM 3324 N GLU B 104 0.614 13.200 -1.922 1.00 0.54 N ATOM 3325 CA GLU B 104 0.972 13.288 -0.514 1.00 0.59 C ATOM 3326 C GLU B 104 2.256 12.526 -0.227 1.00 0.51 C ATOM 3327 O GLU B 104 3.211 13.081 0.321 1.00 0.56 O ATOM 3328 CB GLU B 104 -0.160 12.742 0.352 1.00 0.69 C ATOM 3329 CG GLU B 104 -1.512 13.368 0.052 1.00 0.85 C ATOM 3330 CD GLU B 104 -2.564 12.983 1.067 1.00 1.06 C ATOM 3331 OE1 GLU B 104 -2.388 11.954 1.748 1.00 1.44 O ATOM 3332 OE2 GLU B 104 -3.571 13.709 1.197 1.00 1.33 O ATOM 0 H GLU B 104 -0.266 12.716 -2.101 1.00 0.54 H new ATOM 0 HA GLU B 104 1.136 14.338 -0.273 1.00 0.59 H new ATOM 0 HB2 GLU B 104 -0.228 11.664 0.208 1.00 0.69 H new ATOM 0 HB3 GLU B 104 0.084 12.909 1.401 1.00 0.69 H new ATOM 0 HG2 GLU B 104 -1.410 14.453 0.032 1.00 0.85 H new ATOM 0 HG3 GLU B 104 -1.839 13.060 -0.941 1.00 0.85 H new ATOM 3339 N TYR B 105 2.282 11.260 -0.606 1.00 0.42 N ATOM 3340 CA TYR B 105 3.448 10.429 -0.378 1.00 0.40 C ATOM 3341 C TYR B 105 3.423 9.200 -1.277 1.00 0.33 C ATOM 3342 O TYR B 105 2.475 8.989 -2.035 1.00 0.37 O ATOM 3343 CB TYR B 105 3.538 10.020 1.101 1.00 0.46 C ATOM 3344 CG TYR B 105 2.343 9.242 1.627 1.00 0.47 C ATOM 3345 CD1 TYR B 105 2.287 7.859 1.517 1.00 0.45 C ATOM 3346 CD2 TYR B 105 1.284 9.892 2.253 1.00 0.59 C ATOM 3347 CE1 TYR B 105 1.213 7.145 2.013 1.00 0.55 C ATOM 3348 CE2 TYR B 105 0.202 9.184 2.748 1.00 0.67 C ATOM 3349 CZ TYR B 105 0.173 7.810 2.626 1.00 0.65 C ATOM 3350 OH TYR B 105 -0.893 7.092 3.131 1.00 0.77 O ATOM 0 H TYR B 105 1.508 10.787 -1.073 1.00 0.42 H new ATOM 0 HA TYR B 105 4.335 11.011 -0.628 1.00 0.40 H new ATOM 0 HB2 TYR B 105 4.435 9.417 1.242 1.00 0.46 H new ATOM 0 HB3 TYR B 105 3.661 10.920 1.704 1.00 0.46 H new ATOM 0 HD1 TYR B 105 3.097 7.332 1.035 1.00 0.45 H new ATOM 0 HD2 TYR B 105 1.306 10.967 2.355 1.00 0.59 H new ATOM 0 HE1 TYR B 105 1.189 6.069 1.921 1.00 0.55 H new ATOM 0 HE2 TYR B 105 -0.614 9.704 3.227 1.00 0.67 H new ATOM 0 HH TYR B 105 -1.640 7.700 3.312 1.00 0.77 H new ATOM 3360 N ILE B 106 4.469 8.397 -1.186 1.00 0.26 N ATOM 3361 CA ILE B 106 4.584 7.190 -1.980 1.00 0.25 C ATOM 3362 C ILE B 106 4.658 5.972 -1.072 1.00 0.26 C ATOM 3363 O ILE B 106 5.593 5.829 -0.277 1.00 0.28 O ATOM 3364 CB ILE B 106 5.834 7.226 -2.887 1.00 0.26 C ATOM 3365 CG1 ILE B 106 5.759 8.409 -3.856 1.00 0.31 C ATOM 3366 CG2 ILE B 106 5.977 5.918 -3.654 1.00 0.30 C ATOM 3367 CD1 ILE B 106 7.028 8.622 -4.654 1.00 0.36 C ATOM 0 H ILE B 106 5.258 8.564 -0.562 1.00 0.26 H new ATOM 0 HA ILE B 106 3.699 7.127 -2.614 1.00 0.25 H new ATOM 0 HB ILE B 106 6.713 7.352 -2.255 1.00 0.26 H new ATOM 0 HG12 ILE B 106 4.929 8.251 -4.545 1.00 0.31 H new ATOM 0 HG13 ILE B 106 5.538 9.316 -3.293 1.00 0.31 H new ATOM 0 HG21 ILE B 106 6.863 5.963 -4.287 1.00 0.30 H new ATOM 0 HG22 ILE B 106 6.076 5.092 -2.950 1.00 0.30 H new ATOM 0 HG23 ILE B 106 5.095 5.762 -4.275 1.00 0.30 H new ATOM 0 HD11 ILE B 106 6.901 9.477 -5.319 1.00 0.36 H new ATOM 0 HD12 ILE B 106 7.858 8.812 -3.974 1.00 0.36 H new ATOM 0 HD13 ILE B 106 7.240 7.731 -5.245 1.00 0.36 H new ATOM 3379 N ILE B 107 3.663 5.109 -1.181 1.00 0.29 N ATOM 3380 CA ILE B 107 3.611 3.895 -0.382 1.00 0.34 C ATOM 3381 C ILE B 107 4.501 2.837 -1.014 1.00 0.40 C ATOM 3382 O ILE B 107 4.371 2.552 -2.200 1.00 0.52 O ATOM 3383 CB ILE B 107 2.172 3.346 -0.280 1.00 0.44 C ATOM 3384 CG1 ILE B 107 1.169 4.492 -0.117 1.00 0.46 C ATOM 3385 CG2 ILE B 107 2.064 2.369 0.881 1.00 0.53 C ATOM 3386 CD1 ILE B 107 -0.277 4.042 -0.130 1.00 0.79 C ATOM 0 H ILE B 107 2.876 5.227 -1.819 1.00 0.29 H new ATOM 0 HA ILE B 107 3.958 4.137 0.622 1.00 0.34 H new ATOM 0 HB ILE B 107 1.935 2.816 -1.203 1.00 0.44 H new ATOM 0 HG12 ILE B 107 1.371 5.009 0.821 1.00 0.46 H new ATOM 0 HG13 ILE B 107 1.323 5.214 -0.919 1.00 0.46 H new ATOM 0 HG21 ILE B 107 1.044 1.989 0.943 1.00 0.53 H new ATOM 0 HG22 ILE B 107 2.752 1.539 0.723 1.00 0.53 H new ATOM 0 HG23 ILE B 107 2.318 2.879 1.810 1.00 0.53 H new ATOM 0 HD11 ILE B 107 -0.929 4.908 -0.010 1.00 0.79 H new ATOM 0 HD12 ILE B 107 -0.497 3.551 -1.078 1.00 0.79 H new ATOM 0 HD13 ILE B 107 -0.448 3.343 0.689 1.00 0.79 H new ATOM 3398 N CYS B 108 5.412 2.269 -0.247 1.00 0.39 N ATOM 3399 CA CYS B 108 6.302 1.263 -0.792 1.00 0.47 C ATOM 3400 C CYS B 108 6.272 -0.021 0.027 1.00 0.37 C ATOM 3401 O CYS B 108 6.159 0.008 1.256 1.00 0.43 O ATOM 3402 CB CYS B 108 7.729 1.808 -0.870 1.00 0.61 C ATOM 3403 SG CYS B 108 8.495 2.129 0.735 1.00 1.55 S ATOM 0 H CYS B 108 5.554 2.483 0.740 1.00 0.39 H new ATOM 0 HA CYS B 108 5.954 1.022 -1.796 1.00 0.47 H new ATOM 0 HB2 CYS B 108 8.347 1.097 -1.418 1.00 0.61 H new ATOM 0 HB3 CYS B 108 7.721 2.733 -1.446 1.00 0.61 H new ATOM 0 HG CYS B 108 8.530 3.411 0.951 1.00 1.55 H new ATOM 3409 N THR B 109 6.347 -1.139 -0.674 1.00 0.32 N ATOM 3410 CA THR B 109 6.365 -2.445 -0.049 1.00 0.29 C ATOM 3411 C THR B 109 7.655 -3.172 -0.413 1.00 0.26 C ATOM 3412 O THR B 109 7.868 -3.534 -1.573 1.00 0.27 O ATOM 3413 CB THR B 109 5.153 -3.293 -0.482 1.00 0.39 C ATOM 3414 OG1 THR B 109 3.935 -2.632 -0.109 1.00 0.48 O ATOM 3415 CG2 THR B 109 5.202 -4.675 0.152 1.00 0.49 C ATOM 0 H THR B 109 6.397 -1.164 -1.692 1.00 0.32 H new ATOM 0 HA THR B 109 6.311 -2.303 1.030 1.00 0.29 H new ATOM 0 HB THR B 109 5.187 -3.409 -1.565 1.00 0.39 H new ATOM 0 HG1 THR B 109 3.334 -2.593 -0.882 1.00 0.48 H new ATOM 0 HG21 THR B 109 4.336 -5.254 -0.169 1.00 0.49 H new ATOM 0 HG22 THR B 109 6.114 -5.185 -0.157 1.00 0.49 H new ATOM 0 HG23 THR B 109 5.191 -4.578 1.238 1.00 0.49 H new ATOM 3423 N ASN B 110 8.522 -3.351 0.571 1.00 0.35 N ATOM 3424 CA ASN B 110 9.794 -4.029 0.359 1.00 0.40 C ATOM 3425 C ASN B 110 9.588 -5.535 0.280 1.00 0.45 C ATOM 3426 O ASN B 110 9.480 -6.208 1.303 1.00 0.57 O ATOM 3427 CB ASN B 110 10.775 -3.696 1.488 1.00 0.53 C ATOM 3428 CG ASN B 110 11.581 -2.438 1.224 1.00 1.18 C ATOM 3429 OD1 ASN B 110 11.137 -1.535 0.522 1.00 1.84 O ATOM 3430 ND2 ASN B 110 12.778 -2.371 1.785 1.00 1.84 N ATOM 0 H ASN B 110 8.368 -3.035 1.529 1.00 0.35 H new ATOM 0 HA ASN B 110 10.213 -3.680 -0.585 1.00 0.40 H new ATOM 0 HB2 ASN B 110 10.221 -3.577 2.419 1.00 0.53 H new ATOM 0 HB3 ASN B 110 11.457 -4.535 1.628 1.00 0.53 H new ATOM 0 HD21 ASN B 110 13.364 -1.549 1.640 1.00 1.84 H new ATOM 0 HD22 ASN B 110 13.114 -3.141 2.363 1.00 1.84 H new ATOM 3437 N THR B 111 9.517 -6.055 -0.936 1.00 0.39 N ATOM 3438 CA THR B 111 9.330 -7.480 -1.143 1.00 0.41 C ATOM 3439 C THR B 111 10.645 -8.145 -1.542 1.00 0.38 C ATOM 3440 O THR B 111 11.185 -7.885 -2.617 1.00 0.43 O ATOM 3441 CB THR B 111 8.267 -7.748 -2.225 1.00 0.45 C ATOM 3442 OG1 THR B 111 7.433 -6.590 -2.388 1.00 0.50 O ATOM 3443 CG2 THR B 111 7.405 -8.946 -1.849 1.00 0.52 C ATOM 0 H THR B 111 9.586 -5.509 -1.795 1.00 0.39 H new ATOM 0 HA THR B 111 8.986 -7.907 -0.201 1.00 0.41 H new ATOM 0 HB THR B 111 8.779 -7.965 -3.162 1.00 0.45 H new ATOM 0 HG1 THR B 111 7.931 -5.892 -2.863 1.00 0.50 H new ATOM 0 HG21 THR B 111 6.661 -9.117 -2.627 1.00 0.52 H new ATOM 0 HG22 THR B 111 8.035 -9.830 -1.748 1.00 0.52 H new ATOM 0 HG23 THR B 111 6.902 -8.749 -0.902 1.00 0.52 H new ATOM 3451 N ASN B 112 11.166 -8.984 -0.659 1.00 0.36 N ATOM 3452 CA ASN B 112 12.420 -9.686 -0.912 1.00 0.36 C ATOM 3453 C ASN B 112 12.208 -10.800 -1.930 1.00 0.34 C ATOM 3454 O ASN B 112 11.182 -11.481 -1.912 1.00 0.37 O ATOM 3455 CB ASN B 112 12.975 -10.270 0.393 1.00 0.45 C ATOM 3456 CG ASN B 112 14.471 -10.553 0.342 1.00 0.39 C ATOM 3457 OD1 ASN B 112 15.039 -10.793 -0.721 1.00 0.71 O ATOM 3458 ND2 ASN B 112 15.116 -10.542 1.500 1.00 0.42 N ATOM 0 H ASN B 112 10.740 -9.197 0.243 1.00 0.36 H new ATOM 0 HA ASN B 112 13.140 -8.973 -1.315 1.00 0.36 H new ATOM 0 HB2 ASN B 112 12.772 -9.576 1.208 1.00 0.45 H new ATOM 0 HB3 ASN B 112 12.446 -11.195 0.622 1.00 0.45 H new ATOM 0 HD21 ASN B 112 16.117 -10.737 1.528 1.00 0.42 H new ATOM 0 HD22 ASN B 112 14.612 -10.339 2.363 1.00 0.42 H new ATOM 3465 N VAL B 113 13.176 -10.978 -2.817 1.00 0.36 N ATOM 3466 CA VAL B 113 13.096 -12.015 -3.837 1.00 0.44 C ATOM 3467 C VAL B 113 13.719 -13.313 -3.330 1.00 0.50 C ATOM 3468 O VAL B 113 13.670 -14.346 -3.999 1.00 0.78 O ATOM 3469 CB VAL B 113 13.795 -11.585 -5.145 1.00 0.52 C ATOM 3470 CG1 VAL B 113 13.135 -10.344 -5.728 1.00 0.98 C ATOM 3471 CG2 VAL B 113 15.280 -11.345 -4.911 1.00 0.83 C ATOM 0 H VAL B 113 14.027 -10.417 -2.852 1.00 0.36 H new ATOM 0 HA VAL B 113 12.039 -12.176 -4.051 1.00 0.44 H new ATOM 0 HB VAL B 113 13.691 -12.396 -5.866 1.00 0.52 H new ATOM 0 HG11 VAL B 113 13.644 -10.060 -6.649 1.00 0.98 H new ATOM 0 HG12 VAL B 113 12.088 -10.556 -5.943 1.00 0.98 H new ATOM 0 HG13 VAL B 113 13.200 -9.526 -5.010 1.00 0.98 H new ATOM 0 HG21 VAL B 113 15.752 -11.043 -5.846 1.00 0.83 H new ATOM 0 HG22 VAL B 113 15.409 -10.557 -4.169 1.00 0.83 H new ATOM 0 HG23 VAL B 113 15.744 -12.263 -4.550 1.00 0.83 H new ATOM 3481 N LYS B 114 14.308 -13.244 -2.144 1.00 0.66 N ATOM 3482 CA LYS B 114 14.942 -14.396 -1.526 1.00 0.80 C ATOM 3483 C LYS B 114 13.962 -15.084 -0.582 1.00 0.96 C ATOM 3484 O LYS B 114 13.645 -14.505 0.478 1.00 1.54 O ATOM 3485 CB LYS B 114 16.203 -13.958 -0.771 1.00 1.37 C ATOM 3486 CG LYS B 114 16.907 -15.080 -0.019 1.00 1.56 C ATOM 3487 CD LYS B 114 17.373 -16.183 -0.954 1.00 2.38 C ATOM 3488 CE LYS B 114 18.212 -17.221 -0.219 1.00 2.81 C ATOM 3489 NZ LYS B 114 17.497 -17.799 0.952 1.00 3.21 N ATOM 3490 OXT LYS B 114 13.498 -16.197 -0.914 1.00 0.67 O ATOM 0 H LYS B 114 14.359 -12.391 -1.587 1.00 0.66 H new ATOM 0 HA LYS B 114 15.232 -15.105 -2.301 1.00 0.80 H new ATOM 0 HB2 LYS B 114 16.903 -13.518 -1.481 1.00 1.37 H new ATOM 0 HB3 LYS B 114 15.934 -13.175 -0.062 1.00 1.37 H new ATOM 0 HG2 LYS B 114 17.764 -14.675 0.519 1.00 1.56 H new ATOM 0 HG3 LYS B 114 16.230 -15.498 0.727 1.00 1.56 H new ATOM 0 HD2 LYS B 114 16.508 -16.667 -1.407 1.00 2.38 H new ATOM 0 HD3 LYS B 114 17.957 -15.750 -1.766 1.00 2.38 H new ATOM 0 HE2 LYS B 114 18.482 -18.021 -0.908 1.00 2.81 H new ATOM 0 HE3 LYS B 114 19.142 -16.762 0.116 1.00 2.81 H new ATOM 0 HZ1 LYS B 114 18.039 -18.603 1.328 1.00 3.21 H new ATOM 0 HZ2 LYS B 114 17.397 -17.073 1.690 1.00 3.21 H new ATOM 0 HZ3 LYS B 114 16.555 -18.125 0.657 1.00 3.21 H new