USER MOD reduce.3.24.130724 H: found=0, std=0, add=1721, rem=0, adj=68 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 73 SER OG : rot 180:sc= 0.873 USER MOD Set 1.2: B 91 SER OG : rot -79:sc= 1.01 USER MOD Set 2.1: B 16 HIS : no HE2:sc= 2.09 K(o=4.7,f=-16!) USER MOD Set 2.2: B 92 SER OG : rot -72:sc= 1.33 USER MOD Set 2.3: B 108 CYS SG : rot 127:sc= 1.28 USER MOD Set 3.1: B 14 SER OG : rot -76:sc= 0.824 USER MOD Set 3.2: B 90 THR OG1 : rot 142:sc= 1 USER MOD Set 3.3: B 110 ASN : amide:sc= -0.0571 K(o=1.8,f=-0.067) USER MOD Set 4.1: A 70 GLN :FLIP amide:sc= 0.99 F(o=1.2,f=2.2) USER MOD Set 4.2: A 109 SER OG : rot 89:sc= 1.19 USER MOD Set 5.1: A 102 MET CE :methyl -165:sc=-0.00158 (180deg=-0.142) USER MOD Set 5.2: B 109 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 92 ASN : amide:sc= 1.73 K(o=2.7,f=-7.4!) USER MOD Set 6.2: A 99 GLN : amide:sc= 0.946 K(o=2.7,f=-7.4) USER MOD Set 7.1: A 65 GLN : amide:sc= 2.09 K(o=4.1,f=-3.9) USER MOD Set 7.2: A 88 THR OG1 : rot 136:sc= 0.665 USER MOD Set 7.3: B 70 GLN : amide:sc= 1.36 K(o=4.1,f=-3.9!) USER MOD Set 8.1: A 71 TYR OH : rot -138:sc= 1.66 USER MOD Set 8.2: A 85 THR OG1 : rot 90:sc= 1.03 USER MOD Set 8.3: A 105 ASN : amide:sc= 0.482 K(o=3.2,f=2.4) USER MOD Set 9.1: A 59 ASN : amide:sc= 0.821 K(o=2,f=-9.3!) USER MOD Set 9.2: A 63 LYS NZ :NH3+ -119:sc= 1.17 (180deg=-0.13) USER MOD Set10.1: A 42 TYR OH : rot 15:sc= 1.01 USER MOD Set10.2: A 57 HIS : no HE2:sc= 1.01 K(o=2.5,f=-7.1!) USER MOD Set10.3: A 61 CYS SG : rot 72:sc= 0.495 USER MOD Set11.1: A 20 TYR OH : rot 90:sc= 0 USER MOD Set11.2: B 8 GLN : amide:sc= -0.838! C(o=0.072!,f=-1.2!) USER MOD Set11.3: B 27 HIS : no HE2:sc= 0.91 K(o=0.072,f=-10!) USER MOD Set12.1: A 13 SER OG : rot -170:sc= 0.974 USER MOD Set12.2: A 19 THR OG1 : rot -164:sc= 1.2 USER MOD Set13.1: A 10 SER OG : rot -121:sc= 1.28 USER MOD Set13.2: A 12 HIS : no HE2:sc= 2.05 K(o=3.2,f=-6.7!) USER MOD Set13.3: A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set13.4: A 45 TYR OH : rot -105:sc= 0.113 USER MOD Set13.5: A 103 CYS SG : rot 53:sc= -0.195 USER MOD Set14.1: A 7 THR OG1 : rot 153:sc= 0.893 USER MOD Set14.2: B 97 ASN : amide:sc= -0.452 X(o=0.44,f=0.22) USER MOD Single : A 6 LYS NZ :NH3+ -158:sc= 1.25 (180deg=0.306) USER MOD Single : A 14 MET CE :methyl 157:sc= -0.111 (180deg=-0.553) USER MOD Single : A 17 LYS NZ :NH3+ 144:sc= 1.22 (180deg=-0.44!) USER MOD Single : A 21 CYS SG : rot 123:sc= -2.87! USER MOD Single : A 26 THR OG1 : rot 88:sc= 0.234 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.316 X(o=-0.32,f=-0.05) USER MOD Single : A 40 SER OG : rot 79:sc= 0.815 USER MOD Single : A 46 HIS : +bothHN:sc= -4.1! C(o=-4.1!,f=-11!) USER MOD Single : A 50 SER OG : rot -53:sc= 0.968 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 53 MET CE :methyl -121:sc= -0.226 (180deg=-1.13) USER MOD Single : A 54 THR OG1 : rot 74:sc= 1.13 USER MOD Single : A 55 LYS NZ :NH3+ 164:sc= 1.21 (180deg=1.16) USER MOD Single : A 56 SER OG : rot 89:sc= 1.25 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.00586 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 167:sc=-0.00839 (180deg=-0.154) USER MOD Single : A 77 HIS : no HD1:sc= -0.189 X(o=-0.19,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.409 K(o=-0.41,f=-8!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 100 CYS SG : rot -30:sc= -3.24! USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : B 7 CYS SG : rot 180:sc= 0 USER MOD Single : B 10 THR OG1 : rot -150:sc= 0.0507 USER MOD Single : B 17 ASN : amide:sc= 1.68 K(o=1.7,f=-8.5!) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 CYS SG : rot 99:sc= 0.804 USER MOD Single : B 32 THR OG1 : rot 74:sc= 0.393 USER MOD Single : B 35 TYR OH : rot -91:sc= 0.104 USER MOD Single : B 36 GLN : amide:sc= -0.716 X(o=-0.72,f=-0.23) USER MOD Single : B 38 GLN : amide:sc= 0.929 K(o=0.93,f=-6.1!) USER MOD Single : B 43 LYS NZ :NH3+ 153:sc= 1.26 (180deg=0.465) USER MOD Single : B 44 ASN : amide:sc= 0.0126 X(o=0.013,f=0.0068) USER MOD Single : B 49 CYS SG : rot 77:sc= 0.371 USER MOD Single : B 50 HIS : no HE2:sc= 0.649 K(o=0.65,f=-4.8!) USER MOD Single : B 54 GLN : amide:sc= -0.731 K(o=-0.73,f=-3.1!) USER MOD Single : B 55 GLN : amide:sc= -0.0903 K(o=-0.09,f=-0.61) USER MOD Single : B 60 SER OG : rot 83:sc= 1.33 USER MOD Single : B 62 GLN : amide:sc= -0.324 X(o=-0.32,f=-0.44) USER MOD Single : B 63 GLN : amide:sc= 0.342 X(o=0.34,f=0) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 LYS NZ :NH3+ -164:sc= 1.26 (180deg=1.07) USER MOD Single : B 75 MET CE :methyl 158:sc= -0.201 (180deg=-0.81) USER MOD Single : B 80 SER OG : rot 150:sc= -2.24! USER MOD Single : B 81 LYS NZ :NH3+ -156:sc= 1.22 (180deg=0.975) USER MOD Single : B 82 ASN : amide:sc= 1.13 K(o=1.1,f=-0.13) USER MOD Single : B 83 GLN : amide:sc= 0.189 K(o=0.19,f=-6!) USER MOD Single : B 88 MET CE :methyl -113:sc= -0.305 (180deg=-1.9) USER MOD Single : B 94 THR OG1 : rot -113:sc= 1.31 USER MOD Single : B 96 GLN : amide:sc= -0.0495 X(o=-0.049,f=0.31) USER MOD Single : B 99 TYR OH : rot 30:sc= 0 USER MOD Single : B 100 SER OG : rot 180:sc= 0 USER MOD Single : B 105 TYR OH : rot -99:sc= 1.26 USER MOD Single : B 111 THR OG1 : rot -110:sc= 0.911 USER MOD Single : B 112 ASN : amide:sc= 2.44 K(o=2.4,f=-5.2!) USER MOD Single : B 114 LYS NZ :NH3+ -161:sc= 0.729 (180deg=-0.101) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 6 -8.030 -12.142 -3.579 1.00 0.00 N ATOM 2 CA LYS A 6 -7.516 -11.094 -4.489 1.00 0.00 C ATOM 3 C LYS A 6 -7.635 -9.721 -3.848 1.00 0.00 C ATOM 4 O LYS A 6 -8.299 -8.835 -4.383 1.00 0.00 O ATOM 5 CB LYS A 6 -8.287 -11.110 -5.812 1.00 0.00 C ATOM 6 CG LYS A 6 -7.693 -12.033 -6.861 1.00 0.00 C ATOM 7 CD LYS A 6 -6.344 -11.527 -7.344 1.00 0.00 C ATOM 8 CE LYS A 6 -5.855 -12.314 -8.547 1.00 0.00 C ATOM 9 NZ LYS A 6 -6.462 -11.828 -9.817 1.00 0.00 N ATOM 0 HA LYS A 6 -6.464 -11.303 -4.684 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.316 -11.412 -5.618 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.323 -10.097 -6.212 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -7.580 -13.034 -6.445 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.377 -12.114 -7.706 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.422 -10.472 -7.605 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.615 -11.603 -6.537 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.770 -12.239 -8.612 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.094 -13.369 -8.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.415 -12.580 -10.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.456 -11.570 -9.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.940 -10.995 -10.155 1.00 0.00 H new ATOM 25 N THR A 7 -6.990 -9.555 -2.702 1.00 0.00 N ATOM 26 CA THR A 7 -7.010 -8.292 -1.979 1.00 0.00 C ATOM 27 C THR A 7 -6.375 -7.183 -2.824 1.00 0.00 C ATOM 28 O THR A 7 -5.483 -7.450 -3.630 1.00 0.00 O ATOM 29 CB THR A 7 -6.249 -8.441 -0.642 1.00 0.00 C ATOM 30 OG1 THR A 7 -6.829 -9.506 0.127 1.00 0.00 O ATOM 31 CG2 THR A 7 -6.275 -7.155 0.172 1.00 0.00 C ATOM 0 H THR A 7 -6.442 -10.287 -2.250 1.00 0.00 H new ATOM 0 HA THR A 7 -8.046 -8.022 -1.773 1.00 0.00 H new ATOM 0 HB THR A 7 -5.209 -8.668 -0.876 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.148 -9.891 0.718 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.729 -7.303 1.104 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.807 -6.353 -0.399 1.00 0.00 H new ATOM 0 HG23 THR A 7 -7.308 -6.887 0.395 1.00 0.00 H new ATOM 39 N PHE A 8 -6.845 -5.953 -2.670 1.00 0.00 N ATOM 40 CA PHE A 8 -6.286 -4.843 -3.424 1.00 0.00 C ATOM 41 C PHE A 8 -5.960 -3.679 -2.495 1.00 0.00 C ATOM 42 O PHE A 8 -6.649 -3.454 -1.495 1.00 0.00 O ATOM 43 CB PHE A 8 -7.230 -4.409 -4.561 1.00 0.00 C ATOM 44 CG PHE A 8 -8.370 -3.514 -4.148 1.00 0.00 C ATOM 45 CD1 PHE A 8 -8.214 -2.137 -4.112 1.00 0.00 C ATOM 46 CD2 PHE A 8 -9.601 -4.052 -3.814 1.00 0.00 C ATOM 47 CE1 PHE A 8 -9.263 -1.316 -3.748 1.00 0.00 C ATOM 48 CE2 PHE A 8 -10.654 -3.236 -3.449 1.00 0.00 C ATOM 49 CZ PHE A 8 -10.485 -1.867 -3.416 1.00 0.00 C ATOM 0 H PHE A 8 -7.604 -5.701 -2.037 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.357 -5.177 -3.886 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.643 -3.894 -5.321 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -7.643 -5.303 -5.029 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.261 -1.701 -4.372 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -9.740 -5.123 -3.839 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.128 -0.245 -3.723 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -11.609 -3.669 -3.190 1.00 0.00 H new ATOM 0 HZ PHE A 8 -11.307 -1.227 -3.131 1.00 0.00 H new ATOM 59 N LEU A 9 -4.896 -2.959 -2.815 1.00 0.00 N ATOM 60 CA LEU A 9 -4.466 -1.825 -2.012 1.00 0.00 C ATOM 61 C LEU A 9 -5.068 -0.520 -2.533 1.00 0.00 C ATOM 62 O LEU A 9 -4.966 -0.201 -3.717 1.00 0.00 O ATOM 63 CB LEU A 9 -2.937 -1.738 -2.014 1.00 0.00 C ATOM 64 CG LEU A 9 -2.296 -1.244 -0.712 1.00 0.00 C ATOM 65 CD1 LEU A 9 -2.363 0.271 -0.617 1.00 0.00 C ATOM 66 CD2 LEU A 9 -2.969 -1.883 0.493 1.00 0.00 C ATOM 0 H LEU A 9 -4.311 -3.142 -3.630 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.819 -1.974 -0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.536 -2.725 -2.243 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.631 -1.074 -2.823 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.247 -1.539 -0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.902 0.598 0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.830 0.712 -1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.405 0.591 -0.638 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.500 -1.519 1.407 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.027 -1.622 0.500 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.863 -2.966 0.437 1.00 0.00 H new ATOM 78 N SER A 10 -5.701 0.226 -1.642 1.00 0.00 N ATOM 79 CA SER A 10 -6.304 1.497 -1.998 1.00 0.00 C ATOM 80 C SER A 10 -5.657 2.619 -1.191 1.00 0.00 C ATOM 81 O SER A 10 -5.686 2.604 0.038 1.00 0.00 O ATOM 82 CB SER A 10 -7.816 1.455 -1.738 1.00 0.00 C ATOM 83 OG SER A 10 -8.482 2.540 -2.368 1.00 0.00 O ATOM 0 H SER A 10 -5.810 -0.031 -0.661 1.00 0.00 H new ATOM 0 HA SER A 10 -6.140 1.686 -3.059 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.224 0.513 -2.106 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.003 1.486 -0.665 1.00 0.00 H new ATOM 0 HG SER A 10 -8.947 3.075 -1.692 1.00 0.00 H new ATOM 89 N ARG A 11 -5.050 3.578 -1.875 1.00 0.00 N ATOM 90 CA ARG A 11 -4.407 4.694 -1.196 1.00 0.00 C ATOM 91 C ARG A 11 -5.265 5.942 -1.321 1.00 0.00 C ATOM 92 O ARG A 11 -5.647 6.333 -2.426 1.00 0.00 O ATOM 93 CB ARG A 11 -3.014 4.957 -1.767 1.00 0.00 C ATOM 94 CG ARG A 11 -2.126 3.726 -1.794 1.00 0.00 C ATOM 95 CD ARG A 11 -0.659 4.103 -1.914 1.00 0.00 C ATOM 96 NE ARG A 11 -0.008 4.205 -0.608 1.00 0.00 N ATOM 97 CZ ARG A 11 0.892 5.136 -0.296 1.00 0.00 C ATOM 98 NH1 ARG A 11 1.227 6.060 -1.186 1.00 0.00 N ATOM 99 NH2 ARG A 11 1.457 5.145 0.906 1.00 0.00 N ATOM 0 H ARG A 11 -4.989 3.607 -2.893 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.299 4.435 -0.143 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.113 5.345 -2.781 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.528 5.732 -1.175 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.280 3.144 -0.885 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.409 3.089 -2.632 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.142 3.358 -2.519 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.572 5.055 -2.437 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.258 3.522 0.107 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.795 6.058 -2.110 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.916 6.773 -0.946 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.202 4.437 1.595 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.146 5.860 1.140 1.00 0.00 H new ATOM 113 N HIS A 12 -5.579 6.550 -0.186 1.00 0.00 N ATOM 114 CA HIS A 12 -6.405 7.752 -0.163 1.00 0.00 C ATOM 115 C HIS A 12 -5.646 8.907 0.474 1.00 0.00 C ATOM 116 O HIS A 12 -4.817 8.694 1.356 1.00 0.00 O ATOM 117 CB HIS A 12 -7.709 7.503 0.607 1.00 0.00 C ATOM 118 CG HIS A 12 -8.568 6.419 0.021 1.00 0.00 C ATOM 119 ND1 HIS A 12 -9.800 6.655 -0.547 1.00 0.00 N ATOM 120 CD2 HIS A 12 -8.366 5.083 -0.075 1.00 0.00 C ATOM 121 CE1 HIS A 12 -10.317 5.515 -0.963 1.00 0.00 C ATOM 122 NE2 HIS A 12 -9.466 4.543 -0.692 1.00 0.00 N ATOM 0 H HIS A 12 -5.274 6.231 0.734 1.00 0.00 H new ATOM 0 HA HIS A 12 -6.650 8.011 -1.193 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -7.466 7.243 1.637 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -8.283 8.429 0.639 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -10.244 7.569 -0.633 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -7.498 4.542 0.271 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -11.276 5.397 -1.445 1.00 0.00 H new ATOM 131 N SER A 13 -5.924 10.123 0.026 1.00 0.00 N ATOM 132 CA SER A 13 -5.263 11.301 0.566 1.00 0.00 C ATOM 133 C SER A 13 -6.225 12.487 0.628 1.00 0.00 C ATOM 134 O SER A 13 -7.185 12.554 -0.144 1.00 0.00 O ATOM 135 CB SER A 13 -4.041 11.658 -0.289 1.00 0.00 C ATOM 136 OG SER A 13 -3.136 10.566 -0.374 1.00 0.00 O ATOM 0 H SER A 13 -6.603 10.319 -0.710 1.00 0.00 H new ATOM 0 HA SER A 13 -4.935 11.074 1.580 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.365 11.944 -1.290 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.533 12.522 0.140 1.00 0.00 H new ATOM 0 HG SER A 13 -2.299 10.866 -0.787 1.00 0.00 H new ATOM 142 N MET A 14 -5.963 13.394 1.569 1.00 0.00 N ATOM 143 CA MET A 14 -6.761 14.607 1.768 1.00 0.00 C ATOM 144 C MET A 14 -8.247 14.304 1.960 1.00 0.00 C ATOM 145 O MET A 14 -8.658 13.809 3.011 1.00 0.00 O ATOM 146 CB MET A 14 -6.567 15.589 0.605 1.00 0.00 C ATOM 147 CG MET A 14 -5.192 16.234 0.567 1.00 0.00 C ATOM 148 SD MET A 14 -5.182 17.787 -0.350 1.00 0.00 S ATOM 149 CE MET A 14 -6.106 18.843 0.766 1.00 0.00 C ATOM 0 H MET A 14 -5.184 13.308 2.222 1.00 0.00 H new ATOM 0 HA MET A 14 -6.401 15.069 2.687 1.00 0.00 H new ATOM 0 HB2 MET A 14 -6.737 15.063 -0.334 1.00 0.00 H new ATOM 0 HB3 MET A 14 -7.323 16.371 0.673 1.00 0.00 H new ATOM 0 HG2 MET A 14 -4.851 16.416 1.586 1.00 0.00 H new ATOM 0 HG3 MET A 14 -4.483 15.543 0.112 1.00 0.00 H new ATOM 0 HE1 MET A 14 -5.853 19.886 0.573 1.00 0.00 H new ATOM 0 HE2 MET A 14 -7.174 18.693 0.608 1.00 0.00 H new ATOM 0 HE3 MET A 14 -5.853 18.593 1.796 1.00 0.00 H new ATOM 159 N ASP A 15 -9.038 14.587 0.930 1.00 0.00 N ATOM 160 CA ASP A 15 -10.485 14.383 0.955 1.00 0.00 C ATOM 161 C ASP A 15 -10.856 12.923 0.710 1.00 0.00 C ATOM 162 O ASP A 15 -11.917 12.626 0.158 1.00 0.00 O ATOM 163 CB ASP A 15 -11.151 15.273 -0.100 1.00 0.00 C ATOM 164 CG ASP A 15 -10.467 15.192 -1.453 1.00 0.00 C ATOM 165 OD1 ASP A 15 -9.310 15.653 -1.571 1.00 0.00 O ATOM 166 OD2 ASP A 15 -11.078 14.673 -2.410 1.00 0.00 O ATOM 0 H ASP A 15 -8.693 14.967 0.049 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.843 14.654 1.948 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -12.196 14.982 -0.208 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -11.143 16.307 0.245 1.00 0.00 H new ATOM 171 N MET A 16 -9.974 12.022 1.134 1.00 0.00 N ATOM 172 CA MET A 16 -10.176 10.581 0.990 1.00 0.00 C ATOM 173 C MET A 16 -10.269 10.174 -0.481 1.00 0.00 C ATOM 174 O MET A 16 -10.832 9.128 -0.811 1.00 0.00 O ATOM 175 CB MET A 16 -11.434 10.137 1.746 1.00 0.00 C ATOM 176 CG MET A 16 -11.432 8.669 2.142 1.00 0.00 C ATOM 177 SD MET A 16 -10.110 8.262 3.299 1.00 0.00 S ATOM 178 CE MET A 16 -10.446 6.529 3.603 1.00 0.00 C ATOM 0 H MET A 16 -9.096 12.270 1.589 1.00 0.00 H new ATOM 0 HA MET A 16 -9.310 10.080 1.422 1.00 0.00 H new ATOM 0 HB2 MET A 16 -11.539 10.745 2.645 1.00 0.00 H new ATOM 0 HB3 MET A 16 -12.307 10.334 1.124 1.00 0.00 H new ATOM 0 HG2 MET A 16 -12.393 8.417 2.591 1.00 0.00 H new ATOM 0 HG3 MET A 16 -11.328 8.056 1.247 1.00 0.00 H new ATOM 0 HE1 MET A 16 -9.710 6.133 4.302 1.00 0.00 H new ATOM 0 HE2 MET A 16 -11.444 6.421 4.027 1.00 0.00 H new ATOM 0 HE3 MET A 16 -10.389 5.977 2.665 1.00 0.00 H new ATOM 188 N LYS A 17 -9.708 10.990 -1.362 1.00 0.00 N ATOM 189 CA LYS A 17 -9.730 10.688 -2.785 1.00 0.00 C ATOM 190 C LYS A 17 -8.712 9.602 -3.102 1.00 0.00 C ATOM 191 O LYS A 17 -7.861 9.282 -2.273 1.00 0.00 O ATOM 192 CB LYS A 17 -9.465 11.937 -3.635 1.00 0.00 C ATOM 193 CG LYS A 17 -8.266 12.759 -3.191 1.00 0.00 C ATOM 194 CD LYS A 17 -7.663 13.539 -4.352 1.00 0.00 C ATOM 195 CE LYS A 17 -8.721 14.289 -5.156 1.00 0.00 C ATOM 196 NZ LYS A 17 -9.357 15.381 -4.375 1.00 0.00 N ATOM 0 H LYS A 17 -9.235 11.860 -1.118 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.728 10.329 -3.036 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.317 11.631 -4.671 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.352 12.570 -3.614 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.569 13.451 -2.405 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.511 12.100 -2.762 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.930 14.249 -3.968 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.129 12.853 -5.009 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.264 14.706 -6.053 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.488 13.588 -5.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.558 16.185 -5.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.245 15.037 -3.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.713 15.686 -3.617 1.00 0.00 H new ATOM 210 N PHE A 18 -8.801 9.038 -4.295 1.00 0.00 N ATOM 211 CA PHE A 18 -7.897 7.972 -4.697 1.00 0.00 C ATOM 212 C PHE A 18 -6.596 8.524 -5.266 1.00 0.00 C ATOM 213 O PHE A 18 -6.573 9.097 -6.360 1.00 0.00 O ATOM 214 CB PHE A 18 -8.571 7.069 -5.728 1.00 0.00 C ATOM 215 CG PHE A 18 -9.816 6.393 -5.225 1.00 0.00 C ATOM 216 CD1 PHE A 18 -11.054 7.005 -5.353 1.00 0.00 C ATOM 217 CD2 PHE A 18 -9.750 5.145 -4.628 1.00 0.00 C ATOM 218 CE1 PHE A 18 -12.200 6.384 -4.895 1.00 0.00 C ATOM 219 CE2 PHE A 18 -10.893 4.519 -4.168 1.00 0.00 C ATOM 220 CZ PHE A 18 -12.119 5.140 -4.301 1.00 0.00 C ATOM 0 H PHE A 18 -9.489 9.300 -5.001 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.656 7.391 -3.807 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -8.822 7.662 -6.607 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -7.860 6.307 -6.049 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -11.123 7.978 -5.816 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -8.794 4.655 -4.521 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -13.158 6.871 -5.001 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -10.827 3.545 -3.705 1.00 0.00 H new ATOM 0 HZ PHE A 18 -13.013 4.653 -3.941 1.00 0.00 H new ATOM 230 N THR A 19 -5.521 8.371 -4.509 1.00 0.00 N ATOM 231 CA THR A 19 -4.209 8.821 -4.940 1.00 0.00 C ATOM 232 C THR A 19 -3.501 7.708 -5.707 1.00 0.00 C ATOM 233 O THR A 19 -2.713 7.963 -6.623 1.00 0.00 O ATOM 234 CB THR A 19 -3.347 9.252 -3.740 1.00 0.00 C ATOM 235 OG1 THR A 19 -4.097 9.105 -2.525 1.00 0.00 O ATOM 236 CG2 THR A 19 -2.897 10.696 -3.895 1.00 0.00 C ATOM 0 H THR A 19 -5.533 7.935 -3.587 1.00 0.00 H new ATOM 0 HA THR A 19 -4.346 9.684 -5.592 1.00 0.00 H new ATOM 0 HB THR A 19 -2.464 8.615 -3.701 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.654 9.600 -1.805 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.289 10.982 -3.037 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.308 10.798 -4.807 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.771 11.345 -3.953 1.00 0.00 H new ATOM 244 N TYR A 20 -3.811 6.470 -5.334 1.00 0.00 N ATOM 245 CA TYR A 20 -3.231 5.294 -5.969 1.00 0.00 C ATOM 246 C TYR A 20 -4.165 4.105 -5.791 1.00 0.00 C ATOM 247 O TYR A 20 -4.599 3.812 -4.673 1.00 0.00 O ATOM 248 CB TYR A 20 -1.860 4.977 -5.363 1.00 0.00 C ATOM 249 CG TYR A 20 -0.880 4.383 -6.349 1.00 0.00 C ATOM 250 CD1 TYR A 20 -1.031 3.085 -6.818 1.00 0.00 C ATOM 251 CD2 TYR A 20 0.197 5.126 -6.811 1.00 0.00 C ATOM 252 CE1 TYR A 20 -0.136 2.546 -7.723 1.00 0.00 C ATOM 253 CE2 TYR A 20 1.096 4.594 -7.713 1.00 0.00 C ATOM 254 CZ TYR A 20 0.927 3.305 -8.166 1.00 0.00 C ATOM 255 OH TYR A 20 1.819 2.776 -9.071 1.00 0.00 O ATOM 0 H TYR A 20 -4.469 6.255 -4.585 1.00 0.00 H new ATOM 0 HA TYR A 20 -3.100 5.497 -7.032 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.436 5.892 -4.949 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.992 4.283 -4.533 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -1.861 2.487 -6.470 1.00 0.00 H new ATOM 0 HD2 TYR A 20 0.334 6.138 -6.459 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.268 1.536 -8.081 1.00 0.00 H new ATOM 0 HE2 TYR A 20 1.929 5.187 -8.062 1.00 0.00 H new ATOM 0 HH TYR A 20 1.513 2.968 -9.982 1.00 0.00 H new ATOM 265 N CYS A 21 -4.484 3.433 -6.883 1.00 0.00 N ATOM 266 CA CYS A 21 -5.372 2.284 -6.828 1.00 0.00 C ATOM 267 C CYS A 21 -4.670 1.026 -7.318 1.00 0.00 C ATOM 268 O CYS A 21 -3.774 1.087 -8.163 1.00 0.00 O ATOM 269 CB CYS A 21 -6.622 2.544 -7.666 1.00 0.00 C ATOM 270 SG CYS A 21 -7.281 4.219 -7.495 1.00 0.00 S ATOM 0 H CYS A 21 -4.143 3.662 -7.817 1.00 0.00 H new ATOM 0 HA CYS A 21 -5.662 2.130 -5.789 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.389 2.361 -8.715 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.394 1.829 -7.381 1.00 0.00 H new ATOM 0 HG CYS A 21 -7.337 4.785 -8.664 1.00 0.00 H new ATOM 276 N ASP A 22 -5.074 -0.106 -6.765 1.00 0.00 N ATOM 277 CA ASP A 22 -4.516 -1.396 -7.139 1.00 0.00 C ATOM 278 C ASP A 22 -5.106 -1.847 -8.469 1.00 0.00 C ATOM 279 O ASP A 22 -6.256 -1.539 -8.777 1.00 0.00 O ATOM 280 CB ASP A 22 -4.836 -2.430 -6.057 1.00 0.00 C ATOM 281 CG ASP A 22 -3.934 -3.649 -6.097 1.00 0.00 C ATOM 282 OD1 ASP A 22 -3.790 -4.256 -7.178 1.00 0.00 O ATOM 283 OD2 ASP A 22 -3.387 -4.011 -5.036 1.00 0.00 O ATOM 0 H ASP A 22 -5.796 -0.157 -6.046 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.435 -1.303 -7.239 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -4.751 -1.958 -5.078 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -5.872 -2.751 -6.168 1.00 0.00 H new ATOM 288 N ASP A 23 -4.332 -2.590 -9.240 1.00 0.00 N ATOM 289 CA ASP A 23 -4.785 -3.084 -10.535 1.00 0.00 C ATOM 290 C ASP A 23 -5.741 -4.261 -10.355 1.00 0.00 C ATOM 291 O ASP A 23 -6.289 -4.790 -11.323 1.00 0.00 O ATOM 292 CB ASP A 23 -3.593 -3.497 -11.406 1.00 0.00 C ATOM 293 CG ASP A 23 -2.627 -4.427 -10.694 1.00 0.00 C ATOM 294 OD1 ASP A 23 -1.678 -3.926 -10.053 1.00 0.00 O ATOM 295 OD2 ASP A 23 -2.795 -5.662 -10.788 1.00 0.00 O ATOM 0 H ASP A 23 -3.382 -2.867 -8.993 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.317 -2.277 -11.039 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.962 -3.987 -12.307 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.058 -2.603 -11.726 1.00 0.00 H new ATOM 300 N ARG A 24 -5.932 -4.668 -9.109 1.00 0.00 N ATOM 301 CA ARG A 24 -6.823 -5.773 -8.787 1.00 0.00 C ATOM 302 C ARG A 24 -8.230 -5.281 -8.448 1.00 0.00 C ATOM 303 O ARG A 24 -9.124 -6.079 -8.179 1.00 0.00 O ATOM 304 CB ARG A 24 -6.260 -6.571 -7.613 1.00 0.00 C ATOM 305 CG ARG A 24 -4.929 -7.234 -7.916 1.00 0.00 C ATOM 306 CD ARG A 24 -4.104 -7.416 -6.655 1.00 0.00 C ATOM 307 NE ARG A 24 -3.296 -8.630 -6.713 1.00 0.00 N ATOM 308 CZ ARG A 24 -3.328 -9.584 -5.789 1.00 0.00 C ATOM 309 NH1 ARG A 24 -4.069 -9.431 -4.699 1.00 0.00 N ATOM 310 NH2 ARG A 24 -2.611 -10.688 -5.948 1.00 0.00 N ATOM 0 H ARG A 24 -5.478 -4.246 -8.299 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.892 -6.412 -9.667 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.140 -5.907 -6.757 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.981 -7.336 -7.325 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.101 -8.203 -8.384 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.374 -6.629 -8.632 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.454 -6.552 -6.517 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.765 -7.459 -5.790 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.670 -8.753 -7.509 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.616 -8.580 -4.569 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.092 -10.165 -3.991 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.034 -10.806 -6.781 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.637 -11.420 -5.238 1.00 0.00 H new ATOM 324 N ILE A 25 -8.435 -3.971 -8.474 1.00 0.00 N ATOM 325 CA ILE A 25 -9.744 -3.410 -8.151 1.00 0.00 C ATOM 326 C ILE A 25 -10.711 -3.548 -9.328 1.00 0.00 C ATOM 327 O ILE A 25 -11.931 -3.614 -9.144 1.00 0.00 O ATOM 328 CB ILE A 25 -9.638 -1.922 -7.734 1.00 0.00 C ATOM 329 CG1 ILE A 25 -10.951 -1.447 -7.107 1.00 0.00 C ATOM 330 CG2 ILE A 25 -9.270 -1.046 -8.927 1.00 0.00 C ATOM 331 CD1 ILE A 25 -10.893 -0.032 -6.575 1.00 0.00 C ATOM 0 H ILE A 25 -7.722 -3.282 -8.712 1.00 0.00 H new ATOM 0 HA ILE A 25 -10.133 -3.979 -7.307 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.845 -1.834 -6.991 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.744 -1.514 -7.852 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.220 -2.121 -6.294 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.202 -0.006 -8.608 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.309 -1.365 -9.330 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -10.036 -1.140 -9.697 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -11.859 0.235 -6.146 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -10.123 0.037 -5.807 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -10.655 0.653 -7.389 1.00 0.00 H new ATOM 343 N THR A 26 -10.155 -3.627 -10.528 1.00 0.00 N ATOM 344 CA THR A 26 -10.941 -3.740 -11.745 1.00 0.00 C ATOM 345 C THR A 26 -11.734 -5.047 -11.806 1.00 0.00 C ATOM 346 O THR A 26 -12.799 -5.105 -12.419 1.00 0.00 O ATOM 347 CB THR A 26 -10.022 -3.638 -12.970 1.00 0.00 C ATOM 348 OG1 THR A 26 -8.709 -3.230 -12.550 1.00 0.00 O ATOM 349 CG2 THR A 26 -10.571 -2.640 -13.971 1.00 0.00 C ATOM 0 H THR A 26 -9.147 -3.614 -10.684 1.00 0.00 H new ATOM 0 HA THR A 26 -11.659 -2.920 -11.744 1.00 0.00 H new ATOM 0 HB THR A 26 -9.969 -4.615 -13.450 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.180 -4.021 -12.314 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.904 -2.583 -14.831 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.560 -2.960 -14.299 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.644 -1.658 -13.503 1.00 0.00 H new ATOM 357 N GLU A 27 -11.223 -6.087 -11.159 1.00 0.00 N ATOM 358 CA GLU A 27 -11.893 -7.383 -11.156 1.00 0.00 C ATOM 359 C GLU A 27 -12.837 -7.523 -9.963 1.00 0.00 C ATOM 360 O GLU A 27 -13.512 -8.541 -9.812 1.00 0.00 O ATOM 361 CB GLU A 27 -10.861 -8.511 -11.135 1.00 0.00 C ATOM 362 CG GLU A 27 -9.970 -8.498 -9.902 1.00 0.00 C ATOM 363 CD GLU A 27 -8.744 -9.366 -10.062 1.00 0.00 C ATOM 364 OE1 GLU A 27 -7.799 -8.943 -10.765 1.00 0.00 O ATOM 365 OE2 GLU A 27 -8.720 -10.478 -9.497 1.00 0.00 O ATOM 0 H GLU A 27 -10.350 -6.060 -10.631 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.487 -7.451 -12.068 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.380 -9.468 -11.188 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.236 -8.437 -12.025 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.661 -7.474 -9.693 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.543 -8.840 -9.040 1.00 0.00 H new ATOM 372 N LEU A 28 -12.888 -6.501 -9.121 1.00 0.00 N ATOM 373 CA LEU A 28 -13.747 -6.533 -7.943 1.00 0.00 C ATOM 374 C LEU A 28 -14.867 -5.505 -8.045 1.00 0.00 C ATOM 375 O LEU A 28 -16.041 -5.859 -8.154 1.00 0.00 O ATOM 376 CB LEU A 28 -12.917 -6.283 -6.683 1.00 0.00 C ATOM 377 CG LEU A 28 -11.929 -7.397 -6.331 1.00 0.00 C ATOM 378 CD1 LEU A 28 -10.891 -6.893 -5.344 1.00 0.00 C ATOM 379 CD2 LEU A 28 -12.666 -8.601 -5.762 1.00 0.00 C ATOM 0 H LEU A 28 -12.348 -5.642 -9.229 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.203 -7.521 -7.885 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.363 -5.353 -6.809 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -13.595 -6.139 -5.842 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.417 -7.706 -7.242 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.196 -7.698 -5.104 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.343 -6.060 -5.785 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -11.387 -6.559 -4.433 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.949 -9.384 -5.517 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.203 -8.306 -4.861 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.375 -8.976 -6.500 1.00 0.00 H new ATOM 391 N ILE A 29 -14.498 -4.233 -8.029 1.00 0.00 N ATOM 392 CA ILE A 29 -15.477 -3.153 -8.100 1.00 0.00 C ATOM 393 C ILE A 29 -15.830 -2.832 -9.550 1.00 0.00 C ATOM 394 O ILE A 29 -16.926 -2.352 -9.848 1.00 0.00 O ATOM 395 CB ILE A 29 -14.956 -1.883 -7.385 1.00 0.00 C ATOM 396 CG1 ILE A 29 -14.600 -2.214 -5.933 1.00 0.00 C ATOM 397 CG2 ILE A 29 -15.985 -0.763 -7.440 1.00 0.00 C ATOM 398 CD1 ILE A 29 -14.076 -1.032 -5.145 1.00 0.00 C ATOM 0 H ILE A 29 -13.529 -3.921 -7.968 1.00 0.00 H new ATOM 0 HA ILE A 29 -16.379 -3.491 -7.590 1.00 0.00 H new ATOM 0 HB ILE A 29 -14.060 -1.538 -7.902 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -15.485 -2.608 -5.433 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.850 -3.005 -5.924 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -15.593 0.117 -6.930 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -16.198 -0.515 -8.480 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -16.903 -1.088 -6.949 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -13.846 -1.346 -4.127 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -13.172 -0.650 -5.620 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -14.832 -0.247 -5.121 1.00 0.00 H new ATOM 410 N GLY A 30 -14.897 -3.109 -10.449 1.00 0.00 N ATOM 411 CA GLY A 30 -15.125 -2.851 -11.857 1.00 0.00 C ATOM 412 C GLY A 30 -14.581 -1.506 -12.285 1.00 0.00 C ATOM 413 O GLY A 30 -14.493 -1.209 -13.476 1.00 0.00 O ATOM 0 H GLY A 30 -13.985 -3.508 -10.229 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.656 -3.636 -12.450 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -16.194 -2.891 -12.064 1.00 0.00 H new ATOM 417 N TYR A 31 -14.220 -0.690 -11.306 1.00 0.00 N ATOM 418 CA TYR A 31 -13.673 0.629 -11.572 1.00 0.00 C ATOM 419 C TYR A 31 -12.196 0.533 -11.912 1.00 0.00 C ATOM 420 O TYR A 31 -11.427 -0.107 -11.197 1.00 0.00 O ATOM 421 CB TYR A 31 -13.861 1.543 -10.361 1.00 0.00 C ATOM 422 CG TYR A 31 -15.094 2.416 -10.441 1.00 0.00 C ATOM 423 CD1 TYR A 31 -15.137 3.518 -11.287 1.00 0.00 C ATOM 424 CD2 TYR A 31 -16.212 2.137 -9.668 1.00 0.00 C ATOM 425 CE1 TYR A 31 -16.262 4.318 -11.359 1.00 0.00 C ATOM 426 CE2 TYR A 31 -17.340 2.932 -9.735 1.00 0.00 C ATOM 427 CZ TYR A 31 -17.360 4.021 -10.582 1.00 0.00 C ATOM 428 OH TYR A 31 -18.483 4.818 -10.650 1.00 0.00 O ATOM 0 H TYR A 31 -14.297 -0.921 -10.316 1.00 0.00 H new ATOM 0 HA TYR A 31 -14.208 1.052 -12.422 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -13.918 0.931 -9.461 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -12.982 2.180 -10.258 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -14.278 3.753 -11.898 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -16.200 1.285 -9.004 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -16.280 5.171 -12.021 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -18.202 2.702 -9.127 1.00 0.00 H new ATOM 0 HH TYR A 31 -19.168 4.471 -10.040 1.00 0.00 H new ATOM 438 N HIS A 32 -11.810 1.159 -13.014 1.00 0.00 N ATOM 439 CA HIS A 32 -10.419 1.160 -13.439 1.00 0.00 C ATOM 440 C HIS A 32 -9.593 1.994 -12.465 1.00 0.00 C ATOM 441 O HIS A 32 -10.014 3.082 -12.073 1.00 0.00 O ATOM 442 CB HIS A 32 -10.292 1.722 -14.861 1.00 0.00 C ATOM 443 CG HIS A 32 -9.141 1.160 -15.635 1.00 0.00 C ATOM 444 ND1 HIS A 32 -9.220 -0.009 -16.354 1.00 0.00 N ATOM 445 CD2 HIS A 32 -7.877 1.613 -15.800 1.00 0.00 C ATOM 446 CE1 HIS A 32 -8.058 -0.253 -16.925 1.00 0.00 C ATOM 447 NE2 HIS A 32 -7.224 0.718 -16.605 1.00 0.00 N ATOM 0 H HIS A 32 -12.441 1.673 -13.630 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.046 0.136 -13.443 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -11.215 1.521 -15.404 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -10.185 2.805 -14.805 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -7.460 2.514 -15.375 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -7.827 -1.104 -17.549 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -6.253 0.790 -16.907 1.00 0.00 H new ATOM 456 N PRO A 33 -8.416 1.493 -12.054 1.00 0.00 N ATOM 457 CA PRO A 33 -7.536 2.196 -11.110 1.00 0.00 C ATOM 458 C PRO A 33 -7.312 3.667 -11.468 1.00 0.00 C ATOM 459 O PRO A 33 -7.462 4.553 -10.623 1.00 0.00 O ATOM 460 CB PRO A 33 -6.225 1.421 -11.217 1.00 0.00 C ATOM 461 CG PRO A 33 -6.630 0.040 -11.597 1.00 0.00 C ATOM 462 CD PRO A 33 -7.858 0.184 -12.455 1.00 0.00 C ATOM 0 HA PRO A 33 -7.966 2.222 -10.109 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.566 1.860 -11.966 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.683 1.428 -10.271 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.832 -0.464 -12.142 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.841 -0.561 -10.713 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -7.609 0.163 -13.516 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.567 -0.625 -12.278 1.00 0.00 H new ATOM 470 N GLU A 34 -6.979 3.917 -12.730 1.00 0.00 N ATOM 471 CA GLU A 34 -6.718 5.271 -13.208 1.00 0.00 C ATOM 472 C GLU A 34 -7.984 6.128 -13.191 1.00 0.00 C ATOM 473 O GLU A 34 -7.917 7.343 -13.016 1.00 0.00 O ATOM 474 CB GLU A 34 -6.140 5.228 -14.625 1.00 0.00 C ATOM 475 CG GLU A 34 -5.090 4.145 -14.833 1.00 0.00 C ATOM 476 CD GLU A 34 -3.949 4.230 -13.839 1.00 0.00 C ATOM 477 OE1 GLU A 34 -3.018 5.028 -14.060 1.00 0.00 O ATOM 478 OE2 GLU A 34 -3.976 3.490 -12.834 1.00 0.00 O ATOM 0 H GLU A 34 -6.883 3.195 -13.444 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.994 5.726 -12.532 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.953 5.072 -15.334 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.698 6.197 -14.856 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.564 3.167 -14.752 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.691 4.223 -15.844 1.00 0.00 H new ATOM 485 N GLU A 35 -9.136 5.486 -13.356 1.00 0.00 N ATOM 486 CA GLU A 35 -10.415 6.189 -13.366 1.00 0.00 C ATOM 487 C GLU A 35 -10.722 6.793 -12.002 1.00 0.00 C ATOM 488 O GLU A 35 -11.397 7.817 -11.900 1.00 0.00 O ATOM 489 CB GLU A 35 -11.545 5.237 -13.768 1.00 0.00 C ATOM 490 CG GLU A 35 -11.824 5.220 -15.259 1.00 0.00 C ATOM 491 CD GLU A 35 -12.524 6.477 -15.724 1.00 0.00 C ATOM 492 OE1 GLU A 35 -11.975 7.580 -15.525 1.00 0.00 O ATOM 493 OE2 GLU A 35 -13.628 6.367 -16.296 1.00 0.00 O ATOM 0 H GLU A 35 -9.210 4.477 -13.485 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.343 6.995 -14.096 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.291 4.228 -13.443 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.455 5.523 -13.240 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.885 5.107 -15.801 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -12.438 4.353 -15.502 1.00 0.00 H new ATOM 500 N LEU A 36 -10.227 6.153 -10.958 1.00 0.00 N ATOM 501 CA LEU A 36 -10.457 6.621 -9.601 1.00 0.00 C ATOM 502 C LEU A 36 -9.494 7.745 -9.235 1.00 0.00 C ATOM 503 O LEU A 36 -9.778 8.554 -8.352 1.00 0.00 O ATOM 504 CB LEU A 36 -10.312 5.465 -8.613 1.00 0.00 C ATOM 505 CG LEU A 36 -11.283 4.305 -8.828 1.00 0.00 C ATOM 506 CD1 LEU A 36 -11.003 3.190 -7.835 1.00 0.00 C ATOM 507 CD2 LEU A 36 -12.720 4.784 -8.704 1.00 0.00 C ATOM 0 H LEU A 36 -9.662 5.306 -11.023 1.00 0.00 H new ATOM 0 HA LEU A 36 -11.473 7.013 -9.547 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.293 5.082 -8.672 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.449 5.851 -7.603 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.138 3.914 -9.835 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -11.703 2.371 -8.001 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.983 2.829 -7.971 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.122 3.569 -6.820 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -13.398 3.945 -8.860 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.880 5.200 -7.709 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -12.914 5.551 -9.454 1.00 0.00 H new ATOM 519 N LEU A 37 -8.367 7.797 -9.929 1.00 0.00 N ATOM 520 CA LEU A 37 -7.354 8.811 -9.673 1.00 0.00 C ATOM 521 C LEU A 37 -7.874 10.200 -10.021 1.00 0.00 C ATOM 522 O LEU A 37 -8.056 10.529 -11.195 1.00 0.00 O ATOM 523 CB LEU A 37 -6.085 8.520 -10.478 1.00 0.00 C ATOM 524 CG LEU A 37 -5.484 7.127 -10.280 1.00 0.00 C ATOM 525 CD1 LEU A 37 -4.233 6.966 -11.129 1.00 0.00 C ATOM 526 CD2 LEU A 37 -5.166 6.879 -8.814 1.00 0.00 C ATOM 0 H LEU A 37 -8.130 7.146 -10.677 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.116 8.782 -8.610 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.309 8.653 -11.536 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.331 9.262 -10.216 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.220 6.388 -10.598 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.816 5.970 -10.978 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.488 7.097 -12.181 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.497 7.715 -10.838 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.740 5.883 -8.698 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.449 7.623 -8.466 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.081 6.953 -8.226 1.00 0.00 H new ATOM 538 N GLY A 38 -8.130 11.000 -8.995 1.00 0.00 N ATOM 539 CA GLY A 38 -8.612 12.349 -9.209 1.00 0.00 C ATOM 540 C GLY A 38 -10.016 12.571 -8.681 1.00 0.00 C ATOM 541 O GLY A 38 -10.406 13.705 -8.402 1.00 0.00 O ATOM 0 H GLY A 38 -8.012 10.738 -8.016 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.933 13.052 -8.725 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.593 12.570 -10.276 1.00 0.00 H new ATOM 545 N ARG A 39 -10.777 11.497 -8.526 1.00 0.00 N ATOM 546 CA ARG A 39 -12.146 11.611 -8.033 1.00 0.00 C ATOM 547 C ARG A 39 -12.216 11.327 -6.537 1.00 0.00 C ATOM 548 O ARG A 39 -11.273 10.792 -5.948 1.00 0.00 O ATOM 549 CB ARG A 39 -13.081 10.666 -8.796 1.00 0.00 C ATOM 550 CG ARG A 39 -13.033 9.221 -8.323 1.00 0.00 C ATOM 551 CD ARG A 39 -14.055 8.371 -9.056 1.00 0.00 C ATOM 552 NE ARG A 39 -13.752 8.267 -10.482 1.00 0.00 N ATOM 553 CZ ARG A 39 -14.665 8.055 -11.429 1.00 0.00 C ATOM 554 NH1 ARG A 39 -15.951 7.951 -11.112 1.00 0.00 N ATOM 555 NH2 ARG A 39 -14.288 7.970 -12.698 1.00 0.00 N ATOM 0 H ARG A 39 -10.476 10.545 -8.732 1.00 0.00 H new ATOM 0 HA ARG A 39 -12.474 12.636 -8.203 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -14.103 11.032 -8.703 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -12.826 10.698 -9.855 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -12.034 8.815 -8.485 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -13.223 9.180 -7.251 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -14.081 7.374 -8.616 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -15.047 8.803 -8.926 1.00 0.00 H new ATOM 0 HE ARG A 39 -12.779 8.363 -10.771 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -16.245 8.033 -10.139 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -16.645 7.789 -11.842 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -13.303 8.067 -12.945 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -14.983 7.808 -13.427 1.00 0.00 H new ATOM 569 N SER A 40 -13.342 11.683 -5.934 1.00 0.00 N ATOM 570 CA SER A 40 -13.551 11.480 -4.510 1.00 0.00 C ATOM 571 C SER A 40 -14.149 10.104 -4.249 1.00 0.00 C ATOM 572 O SER A 40 -14.878 9.564 -5.079 1.00 0.00 O ATOM 573 CB SER A 40 -14.479 12.564 -3.965 1.00 0.00 C ATOM 574 OG SER A 40 -14.471 13.704 -4.807 1.00 0.00 O ATOM 0 H SER A 40 -14.130 12.117 -6.415 1.00 0.00 H new ATOM 0 HA SER A 40 -12.588 11.541 -4.002 1.00 0.00 H new ATOM 0 HB2 SER A 40 -15.493 12.173 -3.884 1.00 0.00 H new ATOM 0 HB3 SER A 40 -14.165 12.846 -2.960 1.00 0.00 H new ATOM 0 HG SER A 40 -15.042 13.539 -5.586 1.00 0.00 H new ATOM 580 N ALA A 41 -13.838 9.539 -3.095 1.00 0.00 N ATOM 581 CA ALA A 41 -14.352 8.230 -2.738 1.00 0.00 C ATOM 582 C ALA A 41 -15.773 8.333 -2.199 1.00 0.00 C ATOM 583 O ALA A 41 -16.566 7.405 -2.336 1.00 0.00 O ATOM 584 CB ALA A 41 -13.442 7.567 -1.717 1.00 0.00 C ATOM 0 H ALA A 41 -13.234 9.965 -2.392 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.375 7.614 -3.637 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.840 6.586 -1.458 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.443 7.454 -2.139 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.390 8.185 -0.821 1.00 0.00 H new ATOM 590 N TYR A 42 -16.099 9.485 -1.622 1.00 0.00 N ATOM 591 CA TYR A 42 -17.421 9.715 -1.043 1.00 0.00 C ATOM 592 C TYR A 42 -18.514 9.765 -2.111 1.00 0.00 C ATOM 593 O TYR A 42 -19.700 9.696 -1.787 1.00 0.00 O ATOM 594 CB TYR A 42 -17.428 11.007 -0.226 1.00 0.00 C ATOM 595 CG TYR A 42 -16.690 10.904 1.090 1.00 0.00 C ATOM 596 CD1 TYR A 42 -17.197 10.133 2.128 1.00 0.00 C ATOM 597 CD2 TYR A 42 -15.492 11.575 1.293 1.00 0.00 C ATOM 598 CE1 TYR A 42 -16.529 10.033 3.335 1.00 0.00 C ATOM 599 CE2 TYR A 42 -14.818 11.482 2.497 1.00 0.00 C ATOM 600 CZ TYR A 42 -15.342 10.709 3.515 1.00 0.00 C ATOM 601 OH TYR A 42 -14.676 10.614 4.716 1.00 0.00 O ATOM 0 H TYR A 42 -15.463 10.279 -1.542 1.00 0.00 H new ATOM 0 HA TYR A 42 -17.638 8.872 -0.387 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -16.981 11.804 -0.821 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -18.461 11.296 -0.031 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -18.128 9.603 1.990 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -15.080 12.179 0.498 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -16.936 9.428 4.132 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -13.887 12.011 2.641 1.00 0.00 H new ATOM 0 HH TYR A 42 -15.037 9.863 5.232 1.00 0.00 H new ATOM 611 N GLU A 43 -18.114 9.873 -3.375 1.00 0.00 N ATOM 612 CA GLU A 43 -19.066 9.924 -4.483 1.00 0.00 C ATOM 613 C GLU A 43 -19.841 8.614 -4.589 1.00 0.00 C ATOM 614 O GLU A 43 -21.008 8.593 -4.984 1.00 0.00 O ATOM 615 CB GLU A 43 -18.337 10.202 -5.796 1.00 0.00 C ATOM 616 CG GLU A 43 -17.581 11.518 -5.801 1.00 0.00 C ATOM 617 CD GLU A 43 -16.696 11.682 -7.020 1.00 0.00 C ATOM 618 OE1 GLU A 43 -16.904 10.959 -8.017 1.00 0.00 O ATOM 619 OE2 GLU A 43 -15.790 12.549 -6.987 1.00 0.00 O ATOM 0 H GLU A 43 -17.136 9.927 -3.659 1.00 0.00 H new ATOM 0 HA GLU A 43 -19.771 10.732 -4.289 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -17.638 9.389 -5.993 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -19.061 10.205 -6.611 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -18.294 12.342 -5.762 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -16.969 11.583 -4.902 1.00 0.00 H new ATOM 626 N PHE A 44 -19.181 7.521 -4.230 1.00 0.00 N ATOM 627 CA PHE A 44 -19.793 6.204 -4.270 1.00 0.00 C ATOM 628 C PHE A 44 -19.394 5.406 -3.034 1.00 0.00 C ATOM 629 O PHE A 44 -19.274 4.180 -3.074 1.00 0.00 O ATOM 630 CB PHE A 44 -19.393 5.458 -5.553 1.00 0.00 C ATOM 631 CG PHE A 44 -17.908 5.354 -5.778 1.00 0.00 C ATOM 632 CD1 PHE A 44 -17.200 6.403 -6.344 1.00 0.00 C ATOM 633 CD2 PHE A 44 -17.222 4.203 -5.428 1.00 0.00 C ATOM 634 CE1 PHE A 44 -15.840 6.306 -6.553 1.00 0.00 C ATOM 635 CE2 PHE A 44 -15.863 4.099 -5.635 1.00 0.00 C ATOM 636 CZ PHE A 44 -15.170 5.152 -6.198 1.00 0.00 C ATOM 0 H PHE A 44 -18.214 7.524 -3.906 1.00 0.00 H new ATOM 0 HA PHE A 44 -20.877 6.322 -4.274 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -19.814 4.453 -5.520 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -19.843 5.964 -6.407 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -17.720 7.307 -6.625 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -17.759 3.376 -4.987 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -15.300 7.131 -6.994 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -15.341 3.195 -5.357 1.00 0.00 H new ATOM 0 HZ PHE A 44 -14.105 5.073 -6.361 1.00 0.00 H new ATOM 646 N TYR A 45 -19.209 6.107 -1.924 1.00 0.00 N ATOM 647 CA TYR A 45 -18.814 5.464 -0.681 1.00 0.00 C ATOM 648 C TYR A 45 -19.996 4.788 -0.003 1.00 0.00 C ATOM 649 O TYR A 45 -20.413 5.185 1.089 1.00 0.00 O ATOM 650 CB TYR A 45 -18.161 6.464 0.275 1.00 0.00 C ATOM 651 CG TYR A 45 -16.713 6.146 0.584 1.00 0.00 C ATOM 652 CD1 TYR A 45 -16.131 4.960 0.152 1.00 0.00 C ATOM 653 CD2 TYR A 45 -15.927 7.038 1.299 1.00 0.00 C ATOM 654 CE1 TYR A 45 -14.808 4.673 0.426 1.00 0.00 C ATOM 655 CE2 TYR A 45 -14.603 6.760 1.575 1.00 0.00 C ATOM 656 CZ TYR A 45 -14.049 5.576 1.136 1.00 0.00 C ATOM 657 OH TYR A 45 -12.730 5.297 1.407 1.00 0.00 O ATOM 0 H TYR A 45 -19.326 7.118 -1.860 1.00 0.00 H new ATOM 0 HA TYR A 45 -18.082 4.697 -0.935 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -18.221 7.462 -0.159 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -18.727 6.487 1.206 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -16.723 4.251 -0.407 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -16.358 7.966 1.646 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -14.371 3.746 0.085 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -14.005 7.466 2.132 1.00 0.00 H new ATOM 0 HH TYR A 45 -12.636 5.042 2.349 1.00 0.00 H new ATOM 667 N HIS A 46 -20.525 3.763 -0.673 1.00 0.00 N ATOM 668 CA HIS A 46 -21.646 2.962 -0.171 1.00 0.00 C ATOM 669 C HIS A 46 -22.943 3.763 -0.169 1.00 0.00 C ATOM 670 O HIS A 46 -22.934 4.989 -0.282 1.00 0.00 O ATOM 671 CB HIS A 46 -21.359 2.415 1.238 1.00 0.00 C ATOM 672 CG HIS A 46 -19.933 1.990 1.455 1.00 0.00 C ATOM 673 ND1 HIS A 46 -19.235 2.263 2.614 1.00 0.00 N ATOM 674 CD2 HIS A 46 -19.063 1.350 0.641 1.00 0.00 C ATOM 675 CE1 HIS A 46 -18.001 1.816 2.497 1.00 0.00 C ATOM 676 NE2 HIS A 46 -17.870 1.258 1.310 1.00 0.00 N ATOM 0 H HIS A 46 -20.186 3.462 -1.587 1.00 0.00 H new ATOM 0 HA HIS A 46 -21.764 2.117 -0.849 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -21.614 3.180 1.972 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -22.013 1.563 1.425 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -19.615 2.737 3.433 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -19.270 0.980 -0.352 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -17.228 1.894 3.247 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -17.019 0.828 0.948 1.00 0.00 H new ATOM 685 N ALA A 47 -24.058 3.061 -0.048 1.00 0.00 N ATOM 686 CA ALA A 47 -25.362 3.706 -0.041 1.00 0.00 C ATOM 687 C ALA A 47 -25.840 3.959 1.385 1.00 0.00 C ATOM 688 O ALA A 47 -26.414 5.007 1.683 1.00 0.00 O ATOM 689 CB ALA A 47 -26.369 2.858 -0.801 1.00 0.00 C ATOM 0 H ALA A 47 -24.087 2.046 0.047 1.00 0.00 H new ATOM 0 HA ALA A 47 -25.270 4.672 -0.538 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -27.341 3.350 -0.789 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -26.037 2.735 -1.832 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -26.452 1.880 -0.327 1.00 0.00 H new ATOM 695 N LEU A 48 -25.596 2.996 2.263 1.00 0.00 N ATOM 696 CA LEU A 48 -26.005 3.111 3.659 1.00 0.00 C ATOM 697 C LEU A 48 -24.811 2.933 4.590 1.00 0.00 C ATOM 698 O LEU A 48 -24.854 3.323 5.755 1.00 0.00 O ATOM 699 CB LEU A 48 -27.094 2.080 3.992 1.00 0.00 C ATOM 700 CG LEU A 48 -26.723 0.613 3.747 1.00 0.00 C ATOM 701 CD1 LEU A 48 -27.433 -0.283 4.747 1.00 0.00 C ATOM 702 CD2 LEU A 48 -27.081 0.198 2.328 1.00 0.00 C ATOM 0 H LEU A 48 -25.117 2.125 2.035 1.00 0.00 H new ATOM 0 HA LEU A 48 -26.414 4.110 3.808 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -27.368 2.195 5.041 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -27.981 2.314 3.403 1.00 0.00 H new ATOM 0 HG LEU A 48 -25.646 0.506 3.878 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -27.161 -1.322 4.562 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -27.137 -0.005 5.759 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -28.511 -0.166 4.639 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -26.809 -0.846 2.175 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -28.153 0.321 2.172 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -26.538 0.822 1.618 1.00 0.00 H new ATOM 714 N ASP A 49 -23.740 2.355 4.063 1.00 0.00 N ATOM 715 CA ASP A 49 -22.525 2.113 4.835 1.00 0.00 C ATOM 716 C ASP A 49 -21.585 3.314 4.751 1.00 0.00 C ATOM 717 O ASP A 49 -20.371 3.183 4.935 1.00 0.00 O ATOM 718 CB ASP A 49 -21.789 0.863 4.322 1.00 0.00 C ATOM 719 CG ASP A 49 -22.682 -0.112 3.569 1.00 0.00 C ATOM 720 OD1 ASP A 49 -23.277 0.287 2.540 1.00 0.00 O ATOM 721 OD2 ASP A 49 -22.768 -1.287 3.989 1.00 0.00 O ATOM 0 H ASP A 49 -23.687 2.042 3.094 1.00 0.00 H new ATOM 0 HA ASP A 49 -22.821 1.955 5.872 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -20.975 1.175 3.667 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -21.336 0.347 5.169 1.00 0.00 H new ATOM 726 N SER A 50 -22.142 4.479 4.451 1.00 0.00 N ATOM 727 CA SER A 50 -21.353 5.698 4.334 1.00 0.00 C ATOM 728 C SER A 50 -20.921 6.207 5.709 1.00 0.00 C ATOM 729 O SER A 50 -19.810 6.719 5.872 1.00 0.00 O ATOM 730 CB SER A 50 -22.160 6.765 3.596 1.00 0.00 C ATOM 731 OG SER A 50 -22.693 6.248 2.385 1.00 0.00 O ATOM 0 H SER A 50 -23.140 4.606 4.284 1.00 0.00 H new ATOM 0 HA SER A 50 -20.451 5.475 3.765 1.00 0.00 H new ATOM 0 HB2 SER A 50 -22.970 7.119 4.233 1.00 0.00 H new ATOM 0 HB3 SER A 50 -21.524 7.624 3.381 1.00 0.00 H new ATOM 0 HG SER A 50 -21.972 5.852 1.853 1.00 0.00 H new ATOM 737 N GLU A 51 -21.797 6.041 6.696 1.00 0.00 N ATOM 738 CA GLU A 51 -21.515 6.480 8.061 1.00 0.00 C ATOM 739 C GLU A 51 -20.326 5.721 8.632 1.00 0.00 C ATOM 740 O GLU A 51 -19.393 6.319 9.168 1.00 0.00 O ATOM 741 CB GLU A 51 -22.743 6.272 8.947 1.00 0.00 C ATOM 742 CG GLU A 51 -23.868 7.248 8.658 1.00 0.00 C ATOM 743 CD GLU A 51 -23.728 8.541 9.431 1.00 0.00 C ATOM 744 OE1 GLU A 51 -22.604 8.865 9.867 1.00 0.00 O ATOM 745 OE2 GLU A 51 -24.751 9.233 9.620 1.00 0.00 O ATOM 0 H GLU A 51 -22.711 5.604 6.576 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.271 7.542 8.037 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -23.111 5.255 8.812 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -22.448 6.368 9.992 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -23.889 7.467 7.591 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -24.822 6.782 8.906 1.00 0.00 H new ATOM 752 N ASN A 52 -20.369 4.401 8.492 1.00 0.00 N ATOM 753 CA ASN A 52 -19.307 3.523 8.977 1.00 0.00 C ATOM 754 C ASN A 52 -17.946 3.945 8.433 1.00 0.00 C ATOM 755 O ASN A 52 -16.964 4.006 9.171 1.00 0.00 O ATOM 756 CB ASN A 52 -19.605 2.074 8.573 1.00 0.00 C ATOM 757 CG ASN A 52 -18.477 1.118 8.923 1.00 0.00 C ATOM 758 OD1 ASN A 52 -17.537 0.937 8.149 1.00 0.00 O ATOM 759 ND2 ASN A 52 -18.575 0.482 10.080 1.00 0.00 N ATOM 0 H ASN A 52 -21.139 3.908 8.040 1.00 0.00 H new ATOM 0 HA ASN A 52 -19.274 3.600 10.064 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -20.519 1.745 9.067 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -19.790 2.032 7.500 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -17.856 -0.186 10.357 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -19.370 0.660 10.694 1.00 0.00 H new ATOM 766 N MET A 53 -17.899 4.255 7.144 1.00 0.00 N ATOM 767 CA MET A 53 -16.656 4.662 6.503 1.00 0.00 C ATOM 768 C MET A 53 -16.187 6.012 7.037 1.00 0.00 C ATOM 769 O MET A 53 -15.018 6.177 7.379 1.00 0.00 O ATOM 770 CB MET A 53 -16.832 4.731 4.985 1.00 0.00 C ATOM 771 CG MET A 53 -15.714 4.055 4.201 1.00 0.00 C ATOM 772 SD MET A 53 -14.092 4.782 4.512 1.00 0.00 S ATOM 773 CE MET A 53 -13.378 3.569 5.621 1.00 0.00 C ATOM 0 H MET A 53 -18.707 4.232 6.522 1.00 0.00 H new ATOM 0 HA MET A 53 -15.897 3.915 6.735 1.00 0.00 H new ATOM 0 HB2 MET A 53 -17.781 4.267 4.718 1.00 0.00 H new ATOM 0 HB3 MET A 53 -16.893 5.777 4.684 1.00 0.00 H new ATOM 0 HG2 MET A 53 -15.686 2.996 4.459 1.00 0.00 H new ATOM 0 HG3 MET A 53 -15.936 4.118 3.136 1.00 0.00 H new ATOM 0 HE1 MET A 53 -13.118 4.048 6.565 1.00 0.00 H new ATOM 0 HE2 MET A 53 -14.100 2.774 5.804 1.00 0.00 H new ATOM 0 HE3 MET A 53 -12.480 3.147 5.169 1.00 0.00 H new ATOM 783 N THR A 54 -17.106 6.966 7.130 1.00 0.00 N ATOM 784 CA THR A 54 -16.778 8.300 7.617 1.00 0.00 C ATOM 785 C THR A 54 -16.297 8.255 9.068 1.00 0.00 C ATOM 786 O THR A 54 -15.285 8.869 9.417 1.00 0.00 O ATOM 787 CB THR A 54 -17.990 9.245 7.501 1.00 0.00 C ATOM 788 OG1 THR A 54 -18.576 9.117 6.199 1.00 0.00 O ATOM 789 CG2 THR A 54 -17.577 10.692 7.734 1.00 0.00 C ATOM 0 H THR A 54 -18.085 6.840 6.874 1.00 0.00 H new ATOM 0 HA THR A 54 -15.971 8.684 6.993 1.00 0.00 H new ATOM 0 HB THR A 54 -18.718 8.967 8.264 1.00 0.00 H new ATOM 0 HG1 THR A 54 -19.063 8.268 6.141 1.00 0.00 H new ATOM 0 HG21 THR A 54 -18.450 11.338 7.647 1.00 0.00 H new ATOM 0 HG22 THR A 54 -17.150 10.792 8.732 1.00 0.00 H new ATOM 0 HG23 THR A 54 -16.835 10.983 6.991 1.00 0.00 H new ATOM 797 N LYS A 55 -17.011 7.502 9.902 1.00 0.00 N ATOM 798 CA LYS A 55 -16.657 7.372 11.311 1.00 0.00 C ATOM 799 C LYS A 55 -15.296 6.708 11.463 1.00 0.00 C ATOM 800 O LYS A 55 -14.464 7.150 12.260 1.00 0.00 O ATOM 801 CB LYS A 55 -17.724 6.575 12.064 1.00 0.00 C ATOM 802 CG LYS A 55 -18.693 7.441 12.857 1.00 0.00 C ATOM 803 CD LYS A 55 -19.336 8.511 11.987 1.00 0.00 C ATOM 804 CE LYS A 55 -20.596 9.065 12.627 1.00 0.00 C ATOM 805 NZ LYS A 55 -21.787 8.232 12.318 1.00 0.00 N ATOM 0 H LYS A 55 -17.838 6.973 9.625 1.00 0.00 H new ATOM 0 HA LYS A 55 -16.604 8.372 11.742 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -18.288 5.976 11.349 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -17.232 5.880 12.745 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -19.469 6.812 13.293 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -18.164 7.914 13.684 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -18.626 9.321 11.819 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -19.577 8.091 11.010 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -20.461 9.119 13.707 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -20.764 10.083 12.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -22.558 8.472 12.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -22.094 8.414 11.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -21.544 7.226 12.423 1.00 0.00 H new ATOM 819 N SER A 56 -15.068 5.653 10.687 1.00 0.00 N ATOM 820 CA SER A 56 -13.799 4.948 10.728 1.00 0.00 C ATOM 821 C SER A 56 -12.686 5.848 10.200 1.00 0.00 C ATOM 822 O SER A 56 -11.571 5.815 10.701 1.00 0.00 O ATOM 823 CB SER A 56 -13.879 3.647 9.925 1.00 0.00 C ATOM 824 OG SER A 56 -14.909 2.806 10.425 1.00 0.00 O ATOM 0 H SER A 56 -15.745 5.271 10.026 1.00 0.00 H new ATOM 0 HA SER A 56 -13.573 4.688 11.762 1.00 0.00 H new ATOM 0 HB2 SER A 56 -14.066 3.874 8.875 1.00 0.00 H new ATOM 0 HB3 SER A 56 -12.923 3.126 9.973 1.00 0.00 H new ATOM 0 HG SER A 56 -15.752 3.015 9.970 1.00 0.00 H new ATOM 830 N HIS A 57 -13.002 6.662 9.193 1.00 0.00 N ATOM 831 CA HIS A 57 -12.031 7.591 8.617 1.00 0.00 C ATOM 832 C HIS A 57 -11.593 8.600 9.676 1.00 0.00 C ATOM 833 O HIS A 57 -10.410 8.912 9.798 1.00 0.00 O ATOM 834 CB HIS A 57 -12.641 8.306 7.398 1.00 0.00 C ATOM 835 CG HIS A 57 -11.742 9.314 6.732 1.00 0.00 C ATOM 836 ND1 HIS A 57 -12.210 10.255 5.841 1.00 0.00 N ATOM 837 CD2 HIS A 57 -10.407 9.533 6.830 1.00 0.00 C ATOM 838 CE1 HIS A 57 -11.208 11.006 5.425 1.00 0.00 C ATOM 839 NE2 HIS A 57 -10.103 10.592 6.011 1.00 0.00 N ATOM 0 H HIS A 57 -13.924 6.697 8.759 1.00 0.00 H new ATOM 0 HA HIS A 57 -11.155 7.036 8.282 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -12.927 7.555 6.662 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -13.555 8.809 7.712 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -13.182 10.356 5.548 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -9.711 8.977 7.440 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -11.281 11.823 4.722 1.00 0.00 H new ATOM 848 N GLN A 58 -12.555 9.095 10.443 1.00 0.00 N ATOM 849 CA GLN A 58 -12.271 10.053 11.503 1.00 0.00 C ATOM 850 C GLN A 58 -11.348 9.425 12.543 1.00 0.00 C ATOM 851 O GLN A 58 -10.305 9.981 12.882 1.00 0.00 O ATOM 852 CB GLN A 58 -13.573 10.512 12.162 1.00 0.00 C ATOM 853 CG GLN A 58 -13.375 11.522 13.284 1.00 0.00 C ATOM 854 CD GLN A 58 -14.549 11.555 14.243 1.00 0.00 C ATOM 855 OE1 GLN A 58 -15.689 11.301 13.856 1.00 0.00 O ATOM 856 NE2 GLN A 58 -14.285 11.878 15.499 1.00 0.00 N ATOM 0 H GLN A 58 -13.540 8.849 10.351 1.00 0.00 H new ATOM 0 HA GLN A 58 -11.774 10.920 11.069 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -14.218 10.951 11.401 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -14.095 9.641 12.559 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -12.466 11.277 13.834 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -13.231 12.514 12.856 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -13.327 12.082 15.782 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -15.040 11.923 16.184 1.00 0.00 H new ATOM 865 N ASN A 59 -11.730 8.243 13.014 1.00 0.00 N ATOM 866 CA ASN A 59 -10.957 7.511 14.015 1.00 0.00 C ATOM 867 C ASN A 59 -9.582 7.129 13.467 1.00 0.00 C ATOM 868 O ASN A 59 -8.576 7.171 14.179 1.00 0.00 O ATOM 869 CB ASN A 59 -11.726 6.256 14.437 1.00 0.00 C ATOM 870 CG ASN A 59 -10.976 5.404 15.444 1.00 0.00 C ATOM 871 OD1 ASN A 59 -10.237 5.912 16.287 1.00 0.00 O ATOM 872 ND2 ASN A 59 -11.174 4.098 15.368 1.00 0.00 N ATOM 0 H ASN A 59 -12.580 7.765 12.715 1.00 0.00 H new ATOM 0 HA ASN A 59 -10.808 8.154 14.883 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -12.684 6.552 14.864 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -11.942 5.656 13.553 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.706 3.472 16.023 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -11.795 3.717 14.654 1.00 0.00 H new ATOM 879 N LEU A 60 -9.557 6.780 12.190 1.00 0.00 N ATOM 880 CA LEU A 60 -8.334 6.386 11.503 1.00 0.00 C ATOM 881 C LEU A 60 -7.286 7.492 11.554 1.00 0.00 C ATOM 882 O LEU A 60 -6.105 7.223 11.741 1.00 0.00 O ATOM 883 CB LEU A 60 -8.656 6.032 10.047 1.00 0.00 C ATOM 884 CG LEU A 60 -7.485 5.523 9.206 1.00 0.00 C ATOM 885 CD1 LEU A 60 -6.739 4.416 9.930 1.00 0.00 C ATOM 886 CD2 LEU A 60 -7.986 5.023 7.863 1.00 0.00 C ATOM 0 H LEU A 60 -10.387 6.762 11.598 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.921 5.514 12.010 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.438 5.272 10.043 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.069 6.916 9.562 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.795 6.351 9.044 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.911 4.071 9.311 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.352 4.796 10.875 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.418 3.586 10.123 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.144 4.663 7.272 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.694 4.209 8.019 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.480 5.837 7.333 1.00 0.00 H new ATOM 898 N CYS A 61 -7.721 8.732 11.398 1.00 0.00 N ATOM 899 CA CYS A 61 -6.806 9.861 11.423 1.00 0.00 C ATOM 900 C CYS A 61 -6.305 10.137 12.838 1.00 0.00 C ATOM 901 O CYS A 61 -5.186 10.614 13.025 1.00 0.00 O ATOM 902 CB CYS A 61 -7.491 11.104 10.860 1.00 0.00 C ATOM 903 SG CYS A 61 -7.988 10.945 9.130 1.00 0.00 S ATOM 0 H CYS A 61 -8.699 8.982 11.253 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.946 9.611 10.802 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -8.372 11.326 11.462 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.816 11.954 10.957 1.00 0.00 H new ATOM 0 HG CYS A 61 -8.998 10.132 9.042 1.00 0.00 H new ATOM 909 N THR A 62 -7.126 9.824 13.831 1.00 0.00 N ATOM 910 CA THR A 62 -6.763 10.061 15.220 1.00 0.00 C ATOM 911 C THR A 62 -5.817 8.989 15.764 1.00 0.00 C ATOM 912 O THR A 62 -4.776 9.307 16.340 1.00 0.00 O ATOM 913 CB THR A 62 -8.015 10.131 16.113 1.00 0.00 C ATOM 914 OG1 THR A 62 -9.137 10.583 15.344 1.00 0.00 O ATOM 915 CG2 THR A 62 -7.791 11.079 17.282 1.00 0.00 C ATOM 0 H THR A 62 -8.047 9.406 13.700 1.00 0.00 H new ATOM 0 HA THR A 62 -6.243 11.019 15.242 1.00 0.00 H new ATOM 0 HB THR A 62 -8.214 9.133 16.503 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.931 10.624 15.917 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.688 11.113 17.900 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.951 10.726 17.881 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.573 12.078 16.904 1.00 0.00 H new ATOM 923 N LYS A 63 -6.167 7.724 15.566 1.00 0.00 N ATOM 924 CA LYS A 63 -5.350 6.624 16.073 1.00 0.00 C ATOM 925 C LYS A 63 -4.222 6.259 15.116 1.00 0.00 C ATOM 926 O LYS A 63 -3.110 5.944 15.546 1.00 0.00 O ATOM 927 CB LYS A 63 -6.218 5.395 16.338 1.00 0.00 C ATOM 928 CG LYS A 63 -7.147 5.552 17.528 1.00 0.00 C ATOM 929 CD LYS A 63 -7.592 4.201 18.058 1.00 0.00 C ATOM 930 CE LYS A 63 -8.532 4.344 19.243 1.00 0.00 C ATOM 931 NZ LYS A 63 -9.810 4.999 18.861 1.00 0.00 N ATOM 0 H LYS A 63 -7.005 7.434 15.062 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.900 6.963 17.006 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.812 5.182 15.449 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.572 4.533 16.504 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.640 6.107 18.318 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.020 6.137 17.237 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.090 3.645 17.264 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.718 3.621 18.355 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.740 3.360 19.662 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.045 4.927 20.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.921 5.883 19.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.801 5.211 17.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.604 4.362 19.075 1.00 0.00 H new ATOM 945 N GLY A 64 -4.507 6.297 13.825 1.00 0.00 N ATOM 946 CA GLY A 64 -3.506 5.955 12.835 1.00 0.00 C ATOM 947 C GLY A 64 -3.842 4.665 12.116 1.00 0.00 C ATOM 948 O GLY A 64 -3.483 4.479 10.954 1.00 0.00 O ATOM 0 H GLY A 64 -5.416 6.559 13.443 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.422 6.764 12.109 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.534 5.858 13.319 1.00 0.00 H new ATOM 952 N GLN A 65 -4.542 3.779 12.811 1.00 0.00 N ATOM 953 CA GLN A 65 -4.936 2.495 12.250 1.00 0.00 C ATOM 954 C GLN A 65 -6.320 2.108 12.757 1.00 0.00 C ATOM 955 O GLN A 65 -6.684 2.438 13.886 1.00 0.00 O ATOM 956 CB GLN A 65 -3.912 1.417 12.620 1.00 0.00 C ATOM 957 CG GLN A 65 -4.220 0.044 12.038 1.00 0.00 C ATOM 958 CD GLN A 65 -3.086 -0.941 12.234 1.00 0.00 C ATOM 959 OE1 GLN A 65 -3.005 -1.619 13.260 1.00 0.00 O ATOM 960 NE2 GLN A 65 -2.209 -1.039 11.248 1.00 0.00 N ATOM 0 H GLN A 65 -4.850 3.928 13.772 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.971 2.580 11.164 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.927 1.733 12.277 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.861 1.337 13.706 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.123 -0.350 12.505 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.429 0.144 10.973 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.312 -0.460 10.415 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.430 -1.694 11.321 1.00 0.00 H new ATOM 969 N VAL A 66 -7.089 1.435 11.912 1.00 0.00 N ATOM 970 CA VAL A 66 -8.429 0.997 12.273 1.00 0.00 C ATOM 971 C VAL A 66 -8.828 -0.216 11.435 1.00 0.00 C ATOM 972 O VAL A 66 -8.486 -0.308 10.252 1.00 0.00 O ATOM 973 CB VAL A 66 -9.474 2.130 12.096 1.00 0.00 C ATOM 974 CG1 VAL A 66 -9.691 2.463 10.627 1.00 0.00 C ATOM 975 CG2 VAL A 66 -10.794 1.762 12.761 1.00 0.00 C ATOM 0 H VAL A 66 -6.805 1.180 10.966 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.413 0.722 13.328 1.00 0.00 H new ATOM 0 HB VAL A 66 -9.078 3.019 12.586 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -10.429 3.260 10.540 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.750 2.790 10.185 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -10.050 1.578 10.102 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -11.510 2.573 12.623 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -11.187 0.850 12.310 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -10.632 1.599 13.826 1.00 0.00 H new ATOM 985 N VAL A 67 -9.532 -1.151 12.053 1.00 0.00 N ATOM 986 CA VAL A 67 -9.975 -2.349 11.362 1.00 0.00 C ATOM 987 C VAL A 67 -11.439 -2.214 10.968 1.00 0.00 C ATOM 988 O VAL A 67 -12.319 -2.168 11.826 1.00 0.00 O ATOM 989 CB VAL A 67 -9.794 -3.612 12.232 1.00 0.00 C ATOM 990 CG1 VAL A 67 -10.141 -4.866 11.441 1.00 0.00 C ATOM 991 CG2 VAL A 67 -8.372 -3.694 12.767 1.00 0.00 C ATOM 0 H VAL A 67 -9.809 -1.102 13.034 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.358 -2.458 10.470 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.477 -3.543 13.079 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.006 -5.744 12.073 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.178 -4.812 11.111 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.487 -4.941 10.572 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.264 -4.590 13.378 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.671 -3.736 11.933 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.160 -2.814 13.374 1.00 0.00 H new ATOM 1001 N SER A 68 -11.694 -2.125 9.674 1.00 0.00 N ATOM 1002 CA SER A 68 -13.053 -1.998 9.177 1.00 0.00 C ATOM 1003 C SER A 68 -13.555 -3.344 8.671 1.00 0.00 C ATOM 1004 O SER A 68 -12.867 -4.029 7.903 1.00 0.00 O ATOM 1005 CB SER A 68 -13.109 -0.954 8.061 1.00 0.00 C ATOM 1006 OG SER A 68 -12.309 0.172 8.384 1.00 0.00 O ATOM 0 H SER A 68 -10.977 -2.138 8.948 1.00 0.00 H new ATOM 0 HA SER A 68 -13.698 -1.671 9.993 1.00 0.00 H new ATOM 0 HB2 SER A 68 -12.763 -1.395 7.126 1.00 0.00 H new ATOM 0 HB3 SER A 68 -14.141 -0.639 7.903 1.00 0.00 H new ATOM 0 HG SER A 68 -12.357 0.827 7.657 1.00 0.00 H new ATOM 1012 N GLY A 69 -14.739 -3.728 9.123 1.00 0.00 N ATOM 1013 CA GLY A 69 -15.318 -4.985 8.705 1.00 0.00 C ATOM 1014 C GLY A 69 -15.931 -4.900 7.322 1.00 0.00 C ATOM 1015 O GLY A 69 -15.864 -3.853 6.669 1.00 0.00 O ATOM 0 H GLY A 69 -15.310 -3.189 9.774 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.549 -5.758 8.713 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -16.082 -5.287 9.421 1.00 0.00 H new ATOM 1019 N GLN A 70 -16.531 -5.996 6.879 1.00 0.00 N ATOM 1020 CA GLN A 70 -17.154 -6.055 5.562 1.00 0.00 C ATOM 1021 C GLN A 70 -18.319 -5.083 5.449 1.00 0.00 C ATOM 1022 O GLN A 70 -19.111 -4.929 6.380 1.00 0.00 O ATOM 1023 CB GLN A 70 -17.652 -7.469 5.265 1.00 0.00 C ATOM 1024 CG GLN A 70 -16.566 -8.412 4.782 1.00 0.00 C ATOM 1025 CD GLN A 70 -17.098 -9.790 4.459 1.00 0.00 C ATOM 1026 OE1 GLN A 70 -17.458 -9.999 3.208 1.00 0.00 O flip ATOM 1027 NE2 GLN A 70 -17.174 -10.661 5.324 1.00 0.00 N flip ATOM 0 H GLN A 70 -16.600 -6.861 7.415 1.00 0.00 H new ATOM 0 HA GLN A 70 -16.393 -5.773 4.835 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -18.104 -7.882 6.167 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -18.437 -7.417 4.510 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -16.092 -7.992 3.895 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -15.794 -8.494 5.547 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -16.884 -10.457 6.280 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -17.527 -11.588 5.085 1.00 0.00 H new ATOM 1036 N TYR A 71 -18.416 -4.435 4.301 1.00 0.00 N ATOM 1037 CA TYR A 71 -19.487 -3.488 4.036 1.00 0.00 C ATOM 1038 C TYR A 71 -19.930 -3.606 2.585 1.00 0.00 C ATOM 1039 O TYR A 71 -19.320 -4.346 1.812 1.00 0.00 O ATOM 1040 CB TYR A 71 -19.041 -2.051 4.344 1.00 0.00 C ATOM 1041 CG TYR A 71 -17.719 -1.639 3.718 1.00 0.00 C ATOM 1042 CD1 TYR A 71 -17.466 -1.827 2.362 1.00 0.00 C ATOM 1043 CD2 TYR A 71 -16.727 -1.045 4.488 1.00 0.00 C ATOM 1044 CE1 TYR A 71 -16.269 -1.438 1.796 1.00 0.00 C ATOM 1045 CE2 TYR A 71 -15.529 -0.647 3.927 1.00 0.00 C ATOM 1046 CZ TYR A 71 -15.307 -0.848 2.581 1.00 0.00 C ATOM 1047 OH TYR A 71 -14.121 -0.444 2.016 1.00 0.00 O ATOM 0 H TYR A 71 -17.759 -4.549 3.529 1.00 0.00 H new ATOM 0 HA TYR A 71 -20.328 -3.724 4.688 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -19.816 -1.365 4.003 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -18.966 -1.934 5.425 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -18.221 -2.286 1.741 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -16.895 -0.892 5.544 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -16.089 -1.596 0.743 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -14.771 -0.181 4.539 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.378 -0.685 2.608 1.00 0.00 H new ATOM 1057 N ARG A 72 -20.972 -2.878 2.213 1.00 0.00 N ATOM 1058 CA ARG A 72 -21.469 -2.914 0.845 1.00 0.00 C ATOM 1059 C ARG A 72 -20.765 -1.870 -0.016 1.00 0.00 C ATOM 1060 O ARG A 72 -21.187 -0.714 -0.072 1.00 0.00 O ATOM 1061 CB ARG A 72 -22.973 -2.663 0.814 1.00 0.00 C ATOM 1062 CG ARG A 72 -23.775 -3.599 1.695 1.00 0.00 C ATOM 1063 CD ARG A 72 -25.185 -3.077 1.898 1.00 0.00 C ATOM 1064 NE ARG A 72 -25.935 -3.869 2.868 1.00 0.00 N ATOM 1065 CZ ARG A 72 -25.880 -3.684 4.186 1.00 0.00 C ATOM 1066 NH1 ARG A 72 -25.031 -2.804 4.710 1.00 0.00 N ATOM 1067 NH2 ARG A 72 -26.667 -4.393 4.984 1.00 0.00 N ATOM 0 H ARG A 72 -21.488 -2.257 2.836 1.00 0.00 H new ATOM 0 HA ARG A 72 -21.261 -3.905 0.442 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -23.165 -1.636 1.124 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -23.325 -2.757 -0.213 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -23.812 -4.589 1.241 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -23.281 -3.708 2.660 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -25.142 -2.041 2.234 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -25.712 -3.081 0.944 1.00 0.00 H new ATOM 0 HE ARG A 72 -26.539 -4.611 2.514 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -24.415 -2.264 4.101 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -24.996 -2.669 5.720 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -27.312 -5.077 4.588 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -26.628 -4.254 5.994 1.00 0.00 H new ATOM 1081 N MET A 73 -19.680 -2.266 -0.667 1.00 0.00 N ATOM 1082 CA MET A 73 -18.946 -1.350 -1.529 1.00 0.00 C ATOM 1083 C MET A 73 -19.688 -1.172 -2.846 1.00 0.00 C ATOM 1084 O MET A 73 -20.047 -2.152 -3.495 1.00 0.00 O ATOM 1085 CB MET A 73 -17.527 -1.861 -1.782 1.00 0.00 C ATOM 1086 CG MET A 73 -16.624 -0.841 -2.460 1.00 0.00 C ATOM 1087 SD MET A 73 -16.530 0.715 -1.549 1.00 0.00 S ATOM 1088 CE MET A 73 -15.408 1.650 -2.588 1.00 0.00 C ATOM 0 H MET A 73 -19.291 -3.207 -0.616 1.00 0.00 H new ATOM 0 HA MET A 73 -18.873 -0.385 -1.028 1.00 0.00 H new ATOM 0 HB2 MET A 73 -17.081 -2.154 -0.832 1.00 0.00 H new ATOM 0 HB3 MET A 73 -17.577 -2.757 -2.400 1.00 0.00 H new ATOM 0 HG2 MET A 73 -15.623 -1.259 -2.563 1.00 0.00 H new ATOM 0 HG3 MET A 73 -16.993 -0.647 -3.467 1.00 0.00 H new ATOM 0 HE1 MET A 73 -15.250 2.638 -2.156 1.00 0.00 H new ATOM 0 HE2 MET A 73 -14.454 1.127 -2.656 1.00 0.00 H new ATOM 0 HE3 MET A 73 -15.837 1.754 -3.585 1.00 0.00 H new ATOM 1098 N LEU A 74 -19.922 0.077 -3.228 1.00 0.00 N ATOM 1099 CA LEU A 74 -20.640 0.379 -4.460 1.00 0.00 C ATOM 1100 C LEU A 74 -19.785 0.089 -5.686 1.00 0.00 C ATOM 1101 O LEU A 74 -18.804 0.783 -5.954 1.00 0.00 O ATOM 1102 CB LEU A 74 -21.090 1.843 -4.481 1.00 0.00 C ATOM 1103 CG LEU A 74 -22.341 2.153 -3.658 1.00 0.00 C ATOM 1104 CD1 LEU A 74 -22.721 3.617 -3.802 1.00 0.00 C ATOM 1105 CD2 LEU A 74 -23.493 1.259 -4.086 1.00 0.00 C ATOM 0 H LEU A 74 -19.625 0.899 -2.702 1.00 0.00 H new ATOM 0 HA LEU A 74 -21.518 -0.266 -4.490 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -20.271 2.463 -4.115 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -21.274 2.135 -5.515 1.00 0.00 H new ATOM 0 HG LEU A 74 -22.123 1.955 -2.609 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -23.613 3.821 -3.210 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -21.901 4.242 -3.449 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -22.922 3.839 -4.850 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -24.376 1.493 -3.490 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -23.712 1.427 -5.140 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -23.219 0.215 -3.935 1.00 0.00 H new ATOM 1117 N ALA A 75 -20.162 -0.949 -6.417 1.00 0.00 N ATOM 1118 CA ALA A 75 -19.458 -1.335 -7.628 1.00 0.00 C ATOM 1119 C ALA A 75 -19.907 -0.468 -8.800 1.00 0.00 C ATOM 1120 O ALA A 75 -20.877 0.286 -8.683 1.00 0.00 O ATOM 1121 CB ALA A 75 -19.701 -2.806 -7.924 1.00 0.00 C ATOM 0 H ALA A 75 -20.959 -1.543 -6.189 1.00 0.00 H new ATOM 0 HA ALA A 75 -18.389 -1.183 -7.480 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -19.170 -3.087 -8.833 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -19.339 -3.409 -7.091 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -20.769 -2.978 -8.060 1.00 0.00 H new ATOM 1127 N LYS A 76 -19.225 -0.599 -9.934 1.00 0.00 N ATOM 1128 CA LYS A 76 -19.543 0.185 -11.129 1.00 0.00 C ATOM 1129 C LYS A 76 -20.796 -0.353 -11.832 1.00 0.00 C ATOM 1130 O LYS A 76 -20.802 -0.560 -13.045 1.00 0.00 O ATOM 1131 CB LYS A 76 -18.350 0.175 -12.090 1.00 0.00 C ATOM 1132 CG LYS A 76 -18.359 1.328 -13.085 1.00 0.00 C ATOM 1133 CD LYS A 76 -17.245 1.195 -14.114 1.00 0.00 C ATOM 1134 CE LYS A 76 -17.453 -0.013 -15.017 1.00 0.00 C ATOM 1135 NZ LYS A 76 -18.668 0.122 -15.863 1.00 0.00 N ATOM 0 H LYS A 76 -18.444 -1.244 -10.053 1.00 0.00 H new ATOM 0 HA LYS A 76 -19.749 1.210 -10.820 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -17.427 0.213 -11.511 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -18.344 -0.767 -12.638 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -19.322 1.361 -13.594 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -18.249 2.271 -12.550 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -17.200 2.099 -14.721 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -16.286 1.106 -13.603 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -16.580 -0.142 -15.656 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -17.536 -0.912 -14.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -18.654 -0.603 -16.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -19.516 -0.002 -15.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -18.684 1.066 -16.299 1.00 0.00 H new ATOM 1149 N HIS A 77 -21.849 -0.582 -11.047 1.00 0.00 N ATOM 1150 CA HIS A 77 -23.125 -1.091 -11.559 1.00 0.00 C ATOM 1151 C HIS A 77 -24.158 -1.180 -10.438 1.00 0.00 C ATOM 1152 O HIS A 77 -25.150 -1.896 -10.550 1.00 0.00 O ATOM 1153 CB HIS A 77 -22.963 -2.470 -12.228 1.00 0.00 C ATOM 1154 CG HIS A 77 -22.282 -3.508 -11.384 1.00 0.00 C ATOM 1155 ND1 HIS A 77 -22.964 -4.412 -10.598 1.00 0.00 N ATOM 1156 CD2 HIS A 77 -20.969 -3.796 -11.225 1.00 0.00 C ATOM 1157 CE1 HIS A 77 -22.100 -5.207 -9.995 1.00 0.00 C ATOM 1158 NE2 HIS A 77 -20.885 -4.855 -10.361 1.00 0.00 N ATOM 0 H HIS A 77 -21.843 -0.421 -10.040 1.00 0.00 H new ATOM 0 HA HIS A 77 -23.473 -0.386 -12.314 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -23.950 -2.840 -12.507 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -22.397 -2.345 -13.151 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -20.141 -3.285 -11.693 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -22.348 -6.010 -9.317 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -20.021 -5.299 -10.051 1.00 0.00 H new ATOM 1167 N GLY A 78 -23.915 -0.450 -9.354 1.00 0.00 N ATOM 1168 CA GLY A 78 -24.833 -0.464 -8.228 1.00 0.00 C ATOM 1169 C GLY A 78 -24.740 -1.741 -7.412 1.00 0.00 C ATOM 1170 O GLY A 78 -25.604 -2.019 -6.581 1.00 0.00 O ATOM 0 H GLY A 78 -23.099 0.151 -9.235 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -24.624 0.390 -7.584 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -25.853 -0.345 -8.594 1.00 0.00 H new ATOM 1174 N GLY A 79 -23.693 -2.520 -7.652 1.00 0.00 N ATOM 1175 CA GLY A 79 -23.512 -3.758 -6.922 1.00 0.00 C ATOM 1176 C GLY A 79 -22.922 -3.516 -5.551 1.00 0.00 C ATOM 1177 O GLY A 79 -22.244 -2.510 -5.340 1.00 0.00 O ATOM 0 H GLY A 79 -22.967 -2.316 -8.339 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -24.472 -4.265 -6.821 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -22.859 -4.422 -7.488 1.00 0.00 H new ATOM 1181 N TYR A 80 -23.172 -4.428 -4.624 1.00 0.00 N ATOM 1182 CA TYR A 80 -22.660 -4.293 -3.267 1.00 0.00 C ATOM 1183 C TYR A 80 -21.546 -5.300 -2.999 1.00 0.00 C ATOM 1184 O TYR A 80 -21.805 -6.443 -2.627 1.00 0.00 O ATOM 1185 CB TYR A 80 -23.785 -4.488 -2.246 1.00 0.00 C ATOM 1186 CG TYR A 80 -24.837 -3.400 -2.264 1.00 0.00 C ATOM 1187 CD1 TYR A 80 -24.478 -2.059 -2.246 1.00 0.00 C ATOM 1188 CD2 TYR A 80 -26.190 -3.715 -2.290 1.00 0.00 C ATOM 1189 CE1 TYR A 80 -25.434 -1.065 -2.250 1.00 0.00 C ATOM 1190 CE2 TYR A 80 -27.153 -2.724 -2.292 1.00 0.00 C ATOM 1191 CZ TYR A 80 -26.769 -1.401 -2.273 1.00 0.00 C ATOM 1192 OH TYR A 80 -27.721 -0.409 -2.273 1.00 0.00 O ATOM 0 H TYR A 80 -23.726 -5.269 -4.785 1.00 0.00 H new ATOM 0 HA TYR A 80 -22.253 -3.287 -3.165 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -24.268 -5.447 -2.433 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -23.349 -4.540 -1.248 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -23.432 -1.790 -2.229 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -26.494 -4.751 -2.309 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -25.137 -0.027 -2.235 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -28.201 -2.985 -2.308 1.00 0.00 H new ATOM 0 HH TYR A 80 -28.614 -0.812 -2.292 1.00 0.00 H new ATOM 1202 N VAL A 81 -20.308 -4.880 -3.194 1.00 0.00 N ATOM 1203 CA VAL A 81 -19.169 -5.755 -2.963 1.00 0.00 C ATOM 1204 C VAL A 81 -18.851 -5.823 -1.472 1.00 0.00 C ATOM 1205 O VAL A 81 -18.393 -4.842 -0.883 1.00 0.00 O ATOM 1206 CB VAL A 81 -17.913 -5.285 -3.729 1.00 0.00 C ATOM 1207 CG1 VAL A 81 -16.951 -6.442 -3.934 1.00 0.00 C ATOM 1208 CG2 VAL A 81 -18.286 -4.657 -5.063 1.00 0.00 C ATOM 0 H VAL A 81 -20.065 -3.941 -3.511 1.00 0.00 H new ATOM 0 HA VAL A 81 -19.443 -6.743 -3.333 1.00 0.00 H new ATOM 0 HB VAL A 81 -17.417 -4.523 -3.127 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -16.072 -6.093 -4.475 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -16.647 -6.838 -2.965 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -17.443 -7.227 -4.509 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -17.381 -4.336 -5.580 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -18.813 -5.389 -5.675 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -18.931 -3.795 -4.892 1.00 0.00 H new ATOM 1218 N TRP A 82 -19.111 -6.976 -0.865 1.00 0.00 N ATOM 1219 CA TRP A 82 -18.856 -7.170 0.560 1.00 0.00 C ATOM 1220 C TRP A 82 -17.373 -7.420 0.821 1.00 0.00 C ATOM 1221 O TRP A 82 -16.913 -8.566 0.829 1.00 0.00 O ATOM 1222 CB TRP A 82 -19.685 -8.335 1.103 1.00 0.00 C ATOM 1223 CG TRP A 82 -21.104 -7.972 1.421 1.00 0.00 C ATOM 1224 CD1 TRP A 82 -22.191 -8.133 0.613 1.00 0.00 C ATOM 1225 CD2 TRP A 82 -21.589 -7.389 2.637 1.00 0.00 C ATOM 1226 NE1 TRP A 82 -23.324 -7.694 1.253 1.00 0.00 N ATOM 1227 CE2 TRP A 82 -22.981 -7.231 2.496 1.00 0.00 C ATOM 1228 CE3 TRP A 82 -20.985 -6.991 3.832 1.00 0.00 C ATOM 1229 CZ2 TRP A 82 -23.774 -6.688 3.502 1.00 0.00 C ATOM 1230 CZ3 TRP A 82 -21.775 -6.451 4.830 1.00 0.00 C ATOM 1231 CH2 TRP A 82 -23.157 -6.306 4.661 1.00 0.00 C ATOM 0 H TRP A 82 -19.499 -7.792 -1.338 1.00 0.00 H new ATOM 0 HA TRP A 82 -19.150 -6.257 1.078 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -19.682 -9.143 0.371 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -19.207 -8.719 2.004 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -22.165 -8.546 -0.385 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -24.268 -7.710 0.866 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -19.920 -7.103 3.974 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -24.840 -6.572 3.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -21.318 -6.136 5.756 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -23.747 -5.884 5.461 1.00 0.00 H new ATOM 1242 N LEU A 83 -16.635 -6.345 1.045 1.00 0.00 N ATOM 1243 CA LEU A 83 -15.202 -6.432 1.291 1.00 0.00 C ATOM 1244 C LEU A 83 -14.831 -5.789 2.624 1.00 0.00 C ATOM 1245 O LEU A 83 -15.557 -4.932 3.133 1.00 0.00 O ATOM 1246 CB LEU A 83 -14.441 -5.742 0.155 1.00 0.00 C ATOM 1247 CG LEU A 83 -13.709 -6.676 -0.815 1.00 0.00 C ATOM 1248 CD1 LEU A 83 -14.677 -7.645 -1.476 1.00 0.00 C ATOM 1249 CD2 LEU A 83 -12.964 -5.868 -1.866 1.00 0.00 C ATOM 0 H LEU A 83 -17.006 -5.395 1.062 1.00 0.00 H new ATOM 0 HA LEU A 83 -14.926 -7.486 1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -15.146 -5.136 -0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.713 -5.058 0.592 1.00 0.00 H new ATOM 0 HG LEU A 83 -12.986 -7.259 -0.244 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -14.131 -8.296 -2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -15.166 -8.249 -0.712 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -15.429 -7.085 -2.032 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -12.449 -6.545 -2.548 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -13.673 -5.259 -2.426 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.235 -5.221 -1.378 1.00 0.00 H new ATOM 1261 N GLU A 84 -13.707 -6.225 3.185 1.00 0.00 N ATOM 1262 CA GLU A 84 -13.201 -5.683 4.444 1.00 0.00 C ATOM 1263 C GLU A 84 -12.210 -4.568 4.140 1.00 0.00 C ATOM 1264 O GLU A 84 -11.891 -4.328 2.976 1.00 0.00 O ATOM 1265 CB GLU A 84 -12.506 -6.768 5.268 1.00 0.00 C ATOM 1266 CG GLU A 84 -13.457 -7.753 5.921 1.00 0.00 C ATOM 1267 CD GLU A 84 -13.195 -7.920 7.404 1.00 0.00 C ATOM 1268 OE1 GLU A 84 -12.025 -7.803 7.824 1.00 0.00 O ATOM 1269 OE2 GLU A 84 -14.156 -8.167 8.157 1.00 0.00 O ATOM 0 H GLU A 84 -13.124 -6.959 2.784 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.041 -5.298 5.022 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.819 -7.316 4.623 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.905 -6.292 6.042 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.483 -7.415 5.773 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.366 -8.721 5.428 1.00 0.00 H new ATOM 1276 N THR A 85 -11.715 -3.886 5.165 1.00 0.00 N ATOM 1277 CA THR A 85 -10.764 -2.806 4.945 1.00 0.00 C ATOM 1278 C THR A 85 -9.852 -2.578 6.148 1.00 0.00 C ATOM 1279 O THR A 85 -10.314 -2.355 7.266 1.00 0.00 O ATOM 1280 CB THR A 85 -11.488 -1.484 4.610 1.00 0.00 C ATOM 1281 OG1 THR A 85 -12.438 -1.704 3.564 1.00 0.00 O ATOM 1282 CG2 THR A 85 -10.498 -0.415 4.171 1.00 0.00 C ATOM 0 H THR A 85 -11.952 -4.058 6.142 1.00 0.00 H new ATOM 0 HA THR A 85 -10.149 -3.115 4.099 1.00 0.00 H new ATOM 0 HB THR A 85 -11.998 -1.139 5.510 1.00 0.00 H new ATOM 0 HG1 THR A 85 -13.303 -1.951 3.954 1.00 0.00 H new ATOM 0 HG21 THR A 85 -11.035 0.506 3.941 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.784 -0.228 4.974 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.965 -0.755 3.283 1.00 0.00 H new ATOM 1290 N GLN A 86 -8.555 -2.662 5.905 1.00 0.00 N ATOM 1291 CA GLN A 86 -7.563 -2.414 6.936 1.00 0.00 C ATOM 1292 C GLN A 86 -6.979 -1.028 6.705 1.00 0.00 C ATOM 1293 O GLN A 86 -6.217 -0.818 5.760 1.00 0.00 O ATOM 1294 CB GLN A 86 -6.460 -3.474 6.900 1.00 0.00 C ATOM 1295 CG GLN A 86 -5.428 -3.327 8.008 1.00 0.00 C ATOM 1296 CD GLN A 86 -5.935 -3.798 9.358 1.00 0.00 C ATOM 1297 OE1 GLN A 86 -7.131 -3.745 9.644 1.00 0.00 O ATOM 1298 NE2 GLN A 86 -5.029 -4.278 10.195 1.00 0.00 N ATOM 0 H GLN A 86 -8.163 -2.902 4.995 1.00 0.00 H new ATOM 0 HA GLN A 86 -8.031 -2.467 7.919 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -6.916 -4.461 6.970 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.953 -3.425 5.936 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -4.536 -3.894 7.743 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -5.130 -2.281 8.083 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.047 -4.306 9.922 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.313 -4.620 11.113 1.00 0.00 H new ATOM 1307 N GLY A 87 -7.358 -0.081 7.547 1.00 0.00 N ATOM 1308 CA GLY A 87 -6.887 1.274 7.385 1.00 0.00 C ATOM 1309 C GLY A 87 -5.662 1.588 8.216 1.00 0.00 C ATOM 1310 O GLY A 87 -5.586 1.226 9.389 1.00 0.00 O ATOM 0 H GLY A 87 -7.983 -0.228 8.339 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.658 1.448 6.334 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.687 1.964 7.655 1.00 0.00 H new ATOM 1314 N THR A 88 -4.695 2.241 7.590 1.00 0.00 N ATOM 1315 CA THR A 88 -3.464 2.644 8.254 1.00 0.00 C ATOM 1316 C THR A 88 -2.905 3.907 7.596 1.00 0.00 C ATOM 1317 O THR A 88 -2.507 3.890 6.431 1.00 0.00 O ATOM 1318 CB THR A 88 -2.403 1.523 8.215 1.00 0.00 C ATOM 1319 OG1 THR A 88 -2.940 0.321 8.786 1.00 0.00 O ATOM 1320 CG2 THR A 88 -1.153 1.934 8.981 1.00 0.00 C ATOM 0 H THR A 88 -4.741 2.507 6.606 1.00 0.00 H new ATOM 0 HA THR A 88 -3.701 2.847 9.298 1.00 0.00 H new ATOM 0 HB THR A 88 -2.133 1.345 7.174 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.699 -0.444 8.223 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.420 1.129 8.940 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.730 2.833 8.532 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.413 2.135 10.020 1.00 0.00 H new ATOM 1328 N VAL A 89 -2.897 5.002 8.339 1.00 0.00 N ATOM 1329 CA VAL A 89 -2.399 6.272 7.828 1.00 0.00 C ATOM 1330 C VAL A 89 -0.892 6.370 8.012 1.00 0.00 C ATOM 1331 O VAL A 89 -0.383 6.222 9.123 1.00 0.00 O ATOM 1332 CB VAL A 89 -3.073 7.469 8.532 1.00 0.00 C ATOM 1333 CG1 VAL A 89 -2.639 8.785 7.901 1.00 0.00 C ATOM 1334 CG2 VAL A 89 -4.585 7.335 8.488 1.00 0.00 C ATOM 0 H VAL A 89 -3.231 5.038 9.302 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.642 6.309 6.766 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.755 7.468 9.575 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.127 9.613 8.414 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.558 8.891 7.988 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.921 8.794 6.848 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.041 8.189 8.990 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.917 7.304 7.450 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.884 6.416 8.992 1.00 0.00 H new ATOM 1344 N ILE A 90 -0.180 6.614 6.923 1.00 0.00 N ATOM 1345 CA ILE A 90 1.268 6.731 6.978 1.00 0.00 C ATOM 1346 C ILE A 90 1.671 8.199 7.100 1.00 0.00 C ATOM 1347 O ILE A 90 1.010 9.084 6.549 1.00 0.00 O ATOM 1348 CB ILE A 90 1.942 6.082 5.742 1.00 0.00 C ATOM 1349 CG1 ILE A 90 3.376 5.669 6.080 1.00 0.00 C ATOM 1350 CG2 ILE A 90 1.924 7.023 4.541 1.00 0.00 C ATOM 1351 CD1 ILE A 90 4.062 4.901 4.972 1.00 0.00 C ATOM 0 H ILE A 90 -0.580 6.735 5.993 1.00 0.00 H new ATOM 0 HA ILE A 90 1.615 6.192 7.859 1.00 0.00 H new ATOM 0 HB ILE A 90 1.372 5.193 5.473 1.00 0.00 H new ATOM 0 HG12 ILE A 90 3.959 6.562 6.306 1.00 0.00 H new ATOM 0 HG13 ILE A 90 3.366 5.058 6.982 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.404 6.538 3.691 1.00 0.00 H new ATOM 0 HG22 ILE A 90 0.893 7.266 4.285 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.462 7.938 4.788 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.074 4.642 5.282 1.00 0.00 H new ATOM 0 HD12 ILE A 90 3.502 3.990 4.760 1.00 0.00 H new ATOM 0 HD13 ILE A 90 4.104 5.518 4.074 1.00 0.00 H new ATOM 1363 N TYR A 91 2.736 8.460 7.838 1.00 0.00 N ATOM 1364 CA TYR A 91 3.208 9.820 8.029 1.00 0.00 C ATOM 1365 C TYR A 91 4.489 10.060 7.242 1.00 0.00 C ATOM 1366 O TYR A 91 5.311 9.155 7.090 1.00 0.00 O ATOM 1367 CB TYR A 91 3.451 10.098 9.515 1.00 0.00 C ATOM 1368 CG TYR A 91 2.192 10.064 10.354 1.00 0.00 C ATOM 1369 CD1 TYR A 91 1.688 8.863 10.842 1.00 0.00 C ATOM 1370 CD2 TYR A 91 1.505 11.232 10.656 1.00 0.00 C ATOM 1371 CE1 TYR A 91 0.537 8.829 11.606 1.00 0.00 C ATOM 1372 CE2 TYR A 91 0.354 11.207 11.420 1.00 0.00 C ATOM 1373 CZ TYR A 91 -0.127 10.005 11.892 1.00 0.00 C ATOM 1374 OH TYR A 91 -1.275 9.978 12.654 1.00 0.00 O ATOM 0 H TYR A 91 3.290 7.748 8.315 1.00 0.00 H new ATOM 0 HA TYR A 91 2.439 10.500 7.662 1.00 0.00 H new ATOM 0 HB2 TYR A 91 4.155 9.362 9.903 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.921 11.076 9.621 1.00 0.00 H new ATOM 0 HD1 TYR A 91 2.205 7.941 10.620 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.877 12.177 10.287 1.00 0.00 H new ATOM 0 HE1 TYR A 91 0.159 7.888 11.977 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.167 12.126 11.646 1.00 0.00 H new ATOM 0 HH TYR A 91 -1.617 10.890 12.763 1.00 0.00 H new ATOM 1384 N ASN A 92 4.644 11.275 6.734 1.00 0.00 N ATOM 1385 CA ASN A 92 5.831 11.645 5.974 1.00 0.00 C ATOM 1386 C ASN A 92 6.865 12.252 6.916 1.00 0.00 C ATOM 1387 O ASN A 92 6.628 13.306 7.509 1.00 0.00 O ATOM 1388 CB ASN A 92 5.476 12.642 4.859 1.00 0.00 C ATOM 1389 CG ASN A 92 6.623 12.883 3.889 1.00 0.00 C ATOM 1390 OD1 ASN A 92 7.793 12.787 4.251 1.00 0.00 O ATOM 1391 ND2 ASN A 92 6.293 13.202 2.649 1.00 0.00 N ATOM 0 H ASN A 92 3.960 12.024 6.835 1.00 0.00 H new ATOM 0 HA ASN A 92 6.245 10.751 5.507 1.00 0.00 H new ATOM 0 HB2 ASN A 92 4.613 12.269 4.307 1.00 0.00 H new ATOM 0 HB3 ASN A 92 5.182 13.591 5.308 1.00 0.00 H new ATOM 0 HD21 ASN A 92 7.021 13.378 1.957 1.00 0.00 H new ATOM 0 HD22 ASN A 92 5.310 13.272 2.385 1.00 0.00 H new ATOM 1398 N PRO A 93 8.028 11.600 7.059 1.00 0.00 N ATOM 1399 CA PRO A 93 9.104 12.063 7.950 1.00 0.00 C ATOM 1400 C PRO A 93 9.706 13.404 7.530 1.00 0.00 C ATOM 1401 O PRO A 93 10.469 14.013 8.278 1.00 0.00 O ATOM 1402 CB PRO A 93 10.158 10.955 7.840 1.00 0.00 C ATOM 1403 CG PRO A 93 9.879 10.292 6.537 1.00 0.00 C ATOM 1404 CD PRO A 93 8.391 10.354 6.364 1.00 0.00 C ATOM 0 HA PRO A 93 8.732 12.233 8.960 1.00 0.00 H new ATOM 0 HB2 PRO A 93 11.167 11.365 7.867 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.078 10.250 8.667 1.00 0.00 H new ATOM 0 HG2 PRO A 93 10.390 10.802 5.720 1.00 0.00 H new ATOM 0 HG3 PRO A 93 10.231 9.260 6.539 1.00 0.00 H new ATOM 0 HD2 PRO A 93 8.108 10.382 5.312 1.00 0.00 H new ATOM 0 HD3 PRO A 93 7.897 9.488 6.804 1.00 0.00 H new ATOM 1412 N ARG A 94 9.362 13.862 6.335 1.00 0.00 N ATOM 1413 CA ARG A 94 9.881 15.125 5.826 1.00 0.00 C ATOM 1414 C ARG A 94 8.934 16.279 6.127 1.00 0.00 C ATOM 1415 O ARG A 94 9.320 17.445 6.045 1.00 0.00 O ATOM 1416 CB ARG A 94 10.104 15.035 4.318 1.00 0.00 C ATOM 1417 CG ARG A 94 10.867 13.795 3.889 1.00 0.00 C ATOM 1418 CD ARG A 94 10.854 13.627 2.381 1.00 0.00 C ATOM 1419 NE ARG A 94 11.806 14.517 1.715 1.00 0.00 N ATOM 1420 CZ ARG A 94 12.893 14.091 1.073 1.00 0.00 C ATOM 1421 NH1 ARG A 94 13.212 12.803 1.090 1.00 0.00 N ATOM 1422 NH2 ARG A 94 13.670 14.951 0.427 1.00 0.00 N ATOM 0 H ARG A 94 8.727 13.379 5.700 1.00 0.00 H new ATOM 0 HA ARG A 94 10.829 15.316 6.328 1.00 0.00 H new ATOM 0 HB2 ARG A 94 9.137 15.049 3.815 1.00 0.00 H new ATOM 0 HB3 ARG A 94 10.648 15.919 3.986 1.00 0.00 H new ATOM 0 HG2 ARG A 94 11.897 13.861 4.240 1.00 0.00 H new ATOM 0 HG3 ARG A 94 10.426 12.915 4.358 1.00 0.00 H new ATOM 0 HD2 ARG A 94 11.091 12.593 2.131 1.00 0.00 H new ATOM 0 HD3 ARG A 94 9.850 13.825 2.004 1.00 0.00 H new ATOM 0 HE ARG A 94 11.627 15.521 1.744 1.00 0.00 H new ATOM 0 HH11 ARG A 94 12.625 12.139 1.595 1.00 0.00 H new ATOM 0 HH12 ARG A 94 14.044 12.477 0.598 1.00 0.00 H new ATOM 0 HH21 ARG A 94 13.436 15.944 0.420 1.00 0.00 H new ATOM 0 HH22 ARG A 94 14.501 14.619 -0.063 1.00 0.00 H new ATOM 1436 N ASN A 95 7.693 15.958 6.474 1.00 0.00 N ATOM 1437 CA ASN A 95 6.699 16.990 6.763 1.00 0.00 C ATOM 1438 C ASN A 95 6.119 16.844 8.164 1.00 0.00 C ATOM 1439 O ASN A 95 5.474 17.766 8.671 1.00 0.00 O ATOM 1440 CB ASN A 95 5.562 16.946 5.736 1.00 0.00 C ATOM 1441 CG ASN A 95 5.899 17.691 4.458 1.00 0.00 C ATOM 1442 OD1 ASN A 95 6.378 17.103 3.489 1.00 0.00 O ATOM 1443 ND2 ASN A 95 5.644 18.989 4.446 1.00 0.00 N ATOM 0 H ASN A 95 7.351 15.001 6.562 1.00 0.00 H new ATOM 0 HA ASN A 95 7.211 17.951 6.703 1.00 0.00 H new ATOM 0 HB2 ASN A 95 5.334 15.907 5.497 1.00 0.00 H new ATOM 0 HB3 ASN A 95 4.663 17.377 6.177 1.00 0.00 H new ATOM 0 HD21 ASN A 95 5.845 19.541 3.612 1.00 0.00 H new ATOM 0 HD22 ASN A 95 5.246 19.438 5.271 1.00 0.00 H new ATOM 1450 N LEU A 96 6.350 15.686 8.780 1.00 0.00 N ATOM 1451 CA LEU A 96 5.844 15.395 10.122 1.00 0.00 C ATOM 1452 C LEU A 96 4.317 15.440 10.133 1.00 0.00 C ATOM 1453 O LEU A 96 3.698 15.925 11.081 1.00 0.00 O ATOM 1454 CB LEU A 96 6.419 16.376 11.155 1.00 0.00 C ATOM 1455 CG LEU A 96 7.938 16.310 11.352 1.00 0.00 C ATOM 1456 CD1 LEU A 96 8.378 17.271 12.448 1.00 0.00 C ATOM 1457 CD2 LEU A 96 8.375 14.890 11.683 1.00 0.00 C ATOM 0 H LEU A 96 6.890 14.926 8.366 1.00 0.00 H new ATOM 0 HA LEU A 96 6.168 14.391 10.397 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.152 17.390 10.856 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.937 16.190 12.115 1.00 0.00 H new ATOM 0 HG LEU A 96 8.416 16.608 10.419 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.459 17.210 12.573 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.102 18.289 12.172 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.889 17.003 13.385 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.456 14.864 11.819 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.886 14.563 12.601 1.00 0.00 H new ATOM 0 HD23 LEU A 96 8.096 14.224 10.867 1.00 0.00 H new ATOM 1469 N GLN A 97 3.720 14.926 9.068 1.00 0.00 N ATOM 1470 CA GLN A 97 2.272 14.905 8.929 1.00 0.00 C ATOM 1471 C GLN A 97 1.844 13.704 8.086 1.00 0.00 C ATOM 1472 O GLN A 97 2.684 13.079 7.432 1.00 0.00 O ATOM 1473 CB GLN A 97 1.791 16.205 8.276 1.00 0.00 C ATOM 1474 CG GLN A 97 1.975 16.240 6.766 1.00 0.00 C ATOM 1475 CD GLN A 97 1.295 17.433 6.128 1.00 0.00 C ATOM 1476 OE1 GLN A 97 1.235 18.514 6.713 1.00 0.00 O ATOM 1477 NE2 GLN A 97 0.763 17.240 4.934 1.00 0.00 N ATOM 0 H GLN A 97 4.222 14.514 8.281 1.00 0.00 H new ATOM 0 HA GLN A 97 1.822 14.819 9.918 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.735 16.347 8.507 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.330 17.043 8.718 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.040 16.265 6.533 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.575 15.323 6.333 1.00 0.00 H new ATOM 0 HE21 GLN A 97 0.836 16.327 4.485 1.00 0.00 H new ATOM 0 HE22 GLN A 97 0.279 18.004 4.462 1.00 0.00 H new ATOM 1486 N PRO A 98 0.544 13.353 8.101 1.00 0.00 N ATOM 1487 CA PRO A 98 0.015 12.234 7.315 1.00 0.00 C ATOM 1488 C PRO A 98 0.228 12.449 5.821 1.00 0.00 C ATOM 1489 O PRO A 98 -0.057 13.526 5.292 1.00 0.00 O ATOM 1490 CB PRO A 98 -1.482 12.227 7.644 1.00 0.00 C ATOM 1491 CG PRO A 98 -1.600 12.977 8.923 1.00 0.00 C ATOM 1492 CD PRO A 98 -0.513 14.010 8.889 1.00 0.00 C ATOM 0 HA PRO A 98 0.512 11.294 7.555 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -2.062 12.703 6.853 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -1.858 11.209 7.747 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -2.581 13.444 9.014 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -1.482 12.313 9.779 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -0.850 14.935 8.421 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -0.169 14.267 9.891 1.00 0.00 H new ATOM 1500 N GLN A 99 0.734 11.428 5.149 1.00 0.00 N ATOM 1501 CA GLN A 99 0.996 11.512 3.722 1.00 0.00 C ATOM 1502 C GLN A 99 -0.089 10.793 2.926 1.00 0.00 C ATOM 1503 O GLN A 99 -0.780 11.403 2.106 1.00 0.00 O ATOM 1504 CB GLN A 99 2.371 10.915 3.403 1.00 0.00 C ATOM 1505 CG GLN A 99 2.787 11.063 1.945 1.00 0.00 C ATOM 1506 CD GLN A 99 2.796 12.508 1.477 1.00 0.00 C ATOM 1507 OE1 GLN A 99 3.796 13.211 1.613 1.00 0.00 O ATOM 1508 NE2 GLN A 99 1.685 12.959 0.919 1.00 0.00 N ATOM 0 H GLN A 99 0.972 10.530 5.570 1.00 0.00 H new ATOM 0 HA GLN A 99 0.989 12.563 3.434 1.00 0.00 H new ATOM 0 HB2 GLN A 99 3.119 11.394 4.034 1.00 0.00 H new ATOM 0 HB3 GLN A 99 2.365 9.856 3.663 1.00 0.00 H new ATOM 0 HG2 GLN A 99 3.781 10.637 1.811 1.00 0.00 H new ATOM 0 HG3 GLN A 99 2.106 10.487 1.318 1.00 0.00 H new ATOM 0 HE21 GLN A 99 0.876 12.345 0.824 1.00 0.00 H new ATOM 0 HE22 GLN A 99 1.637 13.921 0.584 1.00 0.00 H new ATOM 1517 N CYS A 100 -0.240 9.499 3.169 1.00 0.00 N ATOM 1518 CA CYS A 100 -1.233 8.708 2.464 1.00 0.00 C ATOM 1519 C CYS A 100 -1.944 7.753 3.414 1.00 0.00 C ATOM 1520 O CYS A 100 -1.343 7.223 4.352 1.00 0.00 O ATOM 1521 CB CYS A 100 -0.574 7.907 1.335 1.00 0.00 C ATOM 1522 SG CYS A 100 0.646 8.829 0.366 1.00 0.00 S ATOM 0 H CYS A 100 0.313 8.977 3.849 1.00 0.00 H new ATOM 0 HA CYS A 100 -1.967 9.394 2.041 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -0.089 7.030 1.765 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -1.352 7.544 0.663 1.00 0.00 H new ATOM 0 HG CYS A 100 0.323 10.088 0.346 1.00 0.00 H new ATOM 1528 N ILE A 101 -3.227 7.552 3.174 1.00 0.00 N ATOM 1529 CA ILE A 101 -4.028 6.651 3.979 1.00 0.00 C ATOM 1530 C ILE A 101 -4.108 5.294 3.291 1.00 0.00 C ATOM 1531 O ILE A 101 -4.745 5.154 2.245 1.00 0.00 O ATOM 1532 CB ILE A 101 -5.452 7.207 4.195 1.00 0.00 C ATOM 1533 CG1 ILE A 101 -5.389 8.602 4.824 1.00 0.00 C ATOM 1534 CG2 ILE A 101 -6.263 6.262 5.068 1.00 0.00 C ATOM 1535 CD1 ILE A 101 -6.735 9.288 4.920 1.00 0.00 C ATOM 0 H ILE A 101 -3.740 8.007 2.419 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.553 6.549 4.955 1.00 0.00 H new ATOM 0 HB ILE A 101 -5.945 7.288 3.226 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -4.960 8.521 5.823 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -4.715 9.225 4.237 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -7.264 6.668 5.211 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -6.332 5.288 4.583 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -5.775 6.152 6.036 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -6.611 10.271 5.375 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -7.158 9.401 3.922 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -7.407 8.687 5.532 1.00 0.00 H new ATOM 1547 N MET A 102 -3.443 4.306 3.866 1.00 0.00 N ATOM 1548 CA MET A 102 -3.431 2.966 3.304 1.00 0.00 C ATOM 1549 C MET A 102 -4.706 2.221 3.672 1.00 0.00 C ATOM 1550 O MET A 102 -5.025 2.068 4.849 1.00 0.00 O ATOM 1551 CB MET A 102 -2.216 2.186 3.811 1.00 0.00 C ATOM 1552 CG MET A 102 -0.885 2.860 3.512 1.00 0.00 C ATOM 1553 SD MET A 102 -0.217 2.418 1.896 1.00 0.00 S ATOM 1554 CE MET A 102 0.366 0.754 2.222 1.00 0.00 C ATOM 0 H MET A 102 -2.902 4.408 4.725 1.00 0.00 H new ATOM 0 HA MET A 102 -3.372 3.053 2.219 1.00 0.00 H new ATOM 0 HB2 MET A 102 -2.309 2.047 4.888 1.00 0.00 H new ATOM 0 HB3 MET A 102 -2.219 1.193 3.361 1.00 0.00 H new ATOM 0 HG2 MET A 102 -1.012 3.941 3.563 1.00 0.00 H new ATOM 0 HG3 MET A 102 -0.165 2.587 4.283 1.00 0.00 H new ATOM 0 HE1 MET A 102 1.035 0.439 1.421 1.00 0.00 H new ATOM 0 HE2 MET A 102 0.902 0.736 3.171 1.00 0.00 H new ATOM 0 HE3 MET A 102 -0.484 0.074 2.273 1.00 0.00 H new ATOM 1564 N CYS A 103 -5.446 1.794 2.665 1.00 0.00 N ATOM 1565 CA CYS A 103 -6.673 1.049 2.879 1.00 0.00 C ATOM 1566 C CYS A 103 -6.576 -0.307 2.195 1.00 0.00 C ATOM 1567 O CYS A 103 -6.653 -0.406 0.969 1.00 0.00 O ATOM 1568 CB CYS A 103 -7.875 1.832 2.344 1.00 0.00 C ATOM 1569 SG CYS A 103 -7.943 3.545 2.916 1.00 0.00 S ATOM 0 H CYS A 103 -5.216 1.952 1.684 1.00 0.00 H new ATOM 0 HA CYS A 103 -6.813 0.898 3.949 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -7.846 1.823 1.254 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -8.791 1.322 2.643 1.00 0.00 H new ATOM 0 HG CYS A 103 -6.811 4.132 2.663 1.00 0.00 H new ATOM 1575 N VAL A 104 -6.358 -1.344 2.986 1.00 0.00 N ATOM 1576 CA VAL A 104 -6.248 -2.694 2.458 1.00 0.00 C ATOM 1577 C VAL A 104 -7.624 -3.343 2.402 1.00 0.00 C ATOM 1578 O VAL A 104 -8.148 -3.797 3.419 1.00 0.00 O ATOM 1579 CB VAL A 104 -5.307 -3.565 3.317 1.00 0.00 C ATOM 1580 CG1 VAL A 104 -4.825 -4.770 2.528 1.00 0.00 C ATOM 1581 CG2 VAL A 104 -4.127 -2.752 3.828 1.00 0.00 C ATOM 0 H VAL A 104 -6.253 -1.277 3.998 1.00 0.00 H new ATOM 0 HA VAL A 104 -5.828 -2.624 1.455 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.870 -3.921 4.180 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.163 -5.372 3.151 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -5.681 -5.371 2.223 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -4.284 -4.433 1.643 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.480 -3.389 4.430 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -3.563 -2.358 2.982 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.492 -1.925 4.438 1.00 0.00 H new ATOM 1591 N ASN A 105 -8.214 -3.366 1.219 1.00 0.00 N ATOM 1592 CA ASN A 105 -9.537 -3.946 1.040 1.00 0.00 C ATOM 1593 C ASN A 105 -9.448 -5.454 0.853 1.00 0.00 C ATOM 1594 O ASN A 105 -9.163 -5.940 -0.242 1.00 0.00 O ATOM 1595 CB ASN A 105 -10.247 -3.310 -0.156 1.00 0.00 C ATOM 1596 CG ASN A 105 -10.934 -2.004 0.197 1.00 0.00 C ATOM 1597 OD1 ASN A 105 -10.329 -0.936 0.144 1.00 0.00 O ATOM 1598 ND2 ASN A 105 -12.206 -2.083 0.554 1.00 0.00 N ATOM 0 H ASN A 105 -7.799 -2.990 0.367 1.00 0.00 H new ATOM 0 HA ASN A 105 -10.116 -3.743 1.941 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -9.522 -3.131 -0.950 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -10.985 -4.009 -0.549 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -12.721 -1.237 0.798 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -12.672 -2.990 0.585 1.00 0.00 H new ATOM 1605 N TYR A 106 -9.683 -6.186 1.932 1.00 0.00 N ATOM 1606 CA TYR A 106 -9.629 -7.641 1.899 1.00 0.00 C ATOM 1607 C TYR A 106 -10.904 -8.218 1.300 1.00 0.00 C ATOM 1608 O TYR A 106 -12.011 -7.837 1.686 1.00 0.00 O ATOM 1609 CB TYR A 106 -9.438 -8.203 3.307 1.00 0.00 C ATOM 1610 CG TYR A 106 -8.112 -7.850 3.938 1.00 0.00 C ATOM 1611 CD1 TYR A 106 -6.933 -8.448 3.510 1.00 0.00 C ATOM 1612 CD2 TYR A 106 -8.041 -6.922 4.967 1.00 0.00 C ATOM 1613 CE1 TYR A 106 -5.721 -8.130 4.090 1.00 0.00 C ATOM 1614 CE2 TYR A 106 -6.833 -6.601 5.552 1.00 0.00 C ATOM 1615 CZ TYR A 106 -5.677 -7.207 5.109 1.00 0.00 C ATOM 1616 OH TYR A 106 -4.475 -6.892 5.696 1.00 0.00 O ATOM 0 H TYR A 106 -9.914 -5.795 2.845 1.00 0.00 H new ATOM 0 HA TYR A 106 -8.781 -7.926 1.276 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -10.241 -7.835 3.945 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -9.533 -9.288 3.269 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -6.965 -9.173 2.711 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -8.945 -6.444 5.315 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -4.813 -8.603 3.746 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -6.794 -5.878 6.353 1.00 0.00 H new ATOM 0 HH TYR A 106 -4.619 -6.223 6.398 1.00 0.00 H new ATOM 1626 N VAL A 107 -10.744 -9.144 0.369 1.00 0.00 N ATOM 1627 CA VAL A 107 -11.883 -9.778 -0.277 1.00 0.00 C ATOM 1628 C VAL A 107 -12.335 -10.986 0.530 1.00 0.00 C ATOM 1629 O VAL A 107 -11.513 -11.794 0.957 1.00 0.00 O ATOM 1630 CB VAL A 107 -11.542 -10.224 -1.714 1.00 0.00 C ATOM 1631 CG1 VAL A 107 -12.784 -10.710 -2.447 1.00 0.00 C ATOM 1632 CG2 VAL A 107 -10.882 -9.090 -2.477 1.00 0.00 C ATOM 0 H VAL A 107 -9.836 -9.474 0.043 1.00 0.00 H new ATOM 0 HA VAL A 107 -12.686 -9.043 -0.326 1.00 0.00 H new ATOM 0 HB VAL A 107 -10.842 -11.057 -1.653 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -12.513 -11.018 -3.457 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -13.214 -11.557 -1.912 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -13.516 -9.904 -2.497 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -10.648 -9.420 -3.489 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -11.560 -8.238 -2.521 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -9.963 -8.796 -1.969 1.00 0.00 H new ATOM 1642 N LEU A 108 -13.637 -11.100 0.747 1.00 0.00 N ATOM 1643 CA LEU A 108 -14.178 -12.214 1.510 1.00 0.00 C ATOM 1644 C LEU A 108 -15.454 -12.750 0.877 1.00 0.00 C ATOM 1645 O LEU A 108 -15.592 -13.954 0.668 1.00 0.00 O ATOM 1646 CB LEU A 108 -14.446 -11.797 2.958 1.00 0.00 C ATOM 1647 CG LEU A 108 -13.295 -12.055 3.931 1.00 0.00 C ATOM 1648 CD1 LEU A 108 -13.657 -11.573 5.326 1.00 0.00 C ATOM 1649 CD2 LEU A 108 -12.941 -13.535 3.951 1.00 0.00 C ATOM 0 H LEU A 108 -14.335 -10.438 0.407 1.00 0.00 H new ATOM 0 HA LEU A 108 -13.434 -13.010 1.503 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -14.684 -10.734 2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -15.329 -12.327 3.315 1.00 0.00 H new ATOM 0 HG LEU A 108 -12.423 -11.496 3.592 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -12.826 -11.765 6.004 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -13.864 -10.503 5.299 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -14.542 -12.105 5.676 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -12.120 -13.703 4.648 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -13.810 -14.113 4.267 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -12.639 -13.850 2.952 1.00 0.00 H new ATOM 1661 N SER A 109 -16.383 -11.860 0.569 1.00 0.00 N ATOM 1662 CA SER A 109 -17.641 -12.268 -0.033 1.00 0.00 C ATOM 1663 C SER A 109 -17.752 -11.757 -1.463 1.00 0.00 C ATOM 1664 O SER A 109 -16.941 -10.945 -1.910 1.00 0.00 O ATOM 1665 CB SER A 109 -18.812 -11.766 0.807 1.00 0.00 C ATOM 1666 OG SER A 109 -18.680 -12.192 2.153 1.00 0.00 O ATOM 0 H SER A 109 -16.291 -10.856 0.725 1.00 0.00 H new ATOM 0 HA SER A 109 -17.670 -13.357 -0.062 1.00 0.00 H new ATOM 0 HB2 SER A 109 -18.855 -10.678 0.767 1.00 0.00 H new ATOM 0 HB3 SER A 109 -19.749 -12.137 0.393 1.00 0.00 H new ATOM 0 HG SER A 109 -18.158 -11.532 2.655 1.00 0.00 H new ATOM 1672 N GLU A 110 -18.761 -12.246 -2.167 1.00 0.00 N ATOM 1673 CA GLU A 110 -19.000 -11.870 -3.550 1.00 0.00 C ATOM 1674 C GLU A 110 -19.724 -10.528 -3.647 1.00 0.00 C ATOM 1675 O GLU A 110 -19.950 -9.851 -2.638 1.00 0.00 O ATOM 1676 CB GLU A 110 -19.832 -12.954 -4.234 1.00 0.00 C ATOM 1677 CG GLU A 110 -21.175 -13.206 -3.562 1.00 0.00 C ATOM 1678 CD GLU A 110 -21.142 -14.370 -2.595 1.00 0.00 C ATOM 1679 OE1 GLU A 110 -20.471 -14.264 -1.546 1.00 0.00 O ATOM 1680 OE2 GLU A 110 -21.790 -15.396 -2.883 1.00 0.00 O ATOM 0 H GLU A 110 -19.436 -12.914 -1.795 1.00 0.00 H new ATOM 0 HA GLU A 110 -18.036 -11.769 -4.048 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -20.002 -12.669 -5.272 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -19.262 -13.883 -4.248 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -21.483 -12.306 -3.029 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -21.928 -13.397 -4.327 1.00 0.00 H new ATOM 1687 N ILE A 111 -20.097 -10.159 -4.866 1.00 0.00 N ATOM 1688 CA ILE A 111 -20.802 -8.909 -5.110 1.00 0.00 C ATOM 1689 C ILE A 111 -22.308 -9.127 -4.999 1.00 0.00 C ATOM 1690 O ILE A 111 -22.872 -10.001 -5.664 1.00 0.00 O ATOM 1691 CB ILE A 111 -20.476 -8.329 -6.503 1.00 0.00 C ATOM 1692 CG1 ILE A 111 -18.995 -8.519 -6.831 1.00 0.00 C ATOM 1693 CG2 ILE A 111 -20.843 -6.855 -6.558 1.00 0.00 C ATOM 1694 CD1 ILE A 111 -18.685 -8.400 -8.308 1.00 0.00 C ATOM 0 H ILE A 111 -19.921 -10.712 -5.705 1.00 0.00 H new ATOM 0 HA ILE A 111 -20.470 -8.196 -4.356 1.00 0.00 H new ATOM 0 HB ILE A 111 -21.065 -8.865 -7.247 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -18.412 -7.778 -6.284 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -18.676 -9.500 -6.478 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -20.608 -6.458 -7.546 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -21.909 -6.738 -6.364 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -20.275 -6.310 -5.804 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -17.617 -8.546 -8.468 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -19.241 -9.158 -8.859 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -18.973 -7.410 -8.662 1.00 0.00 H new ATOM 1706 N GLU A 112 -22.946 -8.345 -4.146 1.00 0.00 N ATOM 1707 CA GLU A 112 -24.379 -8.438 -3.931 1.00 0.00 C ATOM 1708 C GLU A 112 -25.129 -7.677 -5.020 1.00 0.00 C ATOM 1709 O GLU A 112 -24.597 -6.661 -5.516 1.00 0.00 O ATOM 1710 CB GLU A 112 -24.727 -7.878 -2.552 1.00 0.00 C ATOM 1711 CG GLU A 112 -26.143 -8.180 -2.098 1.00 0.00 C ATOM 1712 CD GLU A 112 -26.412 -7.695 -0.690 1.00 0.00 C ATOM 1713 OE1 GLU A 112 -25.761 -8.195 0.248 1.00 0.00 O ATOM 1714 OE2 GLU A 112 -27.280 -6.820 -0.510 1.00 0.00 O ATOM 1715 OXT GLU A 112 -26.249 -8.096 -5.377 1.00 0.00 O ATOM 0 H GLU A 112 -22.486 -7.629 -3.584 1.00 0.00 H new ATOM 0 HA GLU A 112 -24.680 -9.485 -3.976 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -24.028 -8.284 -1.820 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -24.584 -6.798 -2.564 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -26.849 -7.710 -2.783 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -26.317 -9.255 -2.149 1.00 0.00 H new TER 1722 GLU A 112 ATOM 1723 N CYS B 7 3.451 15.864 -9.806 1.00 1.33 N ATOM 1724 CA CYS B 7 4.640 15.799 -8.931 1.00 1.38 C ATOM 1725 C CYS B 7 4.649 14.494 -8.144 1.00 1.15 C ATOM 1726 O CYS B 7 3.638 14.099 -7.564 1.00 1.28 O ATOM 1727 CB CYS B 7 4.650 16.983 -7.962 1.00 1.79 C ATOM 1728 SG CYS B 7 4.687 18.602 -8.767 1.00 2.58 S ATOM 0 HA CYS B 7 5.531 15.842 -9.558 1.00 1.38 H new ATOM 0 HB2 CYS B 7 3.766 16.926 -7.327 1.00 1.79 H new ATOM 0 HB3 CYS B 7 5.518 16.895 -7.308 1.00 1.79 H new ATOM 0 HG CYS B 7 4.691 19.536 -7.863 1.00 2.58 H new ATOM 1736 N GLN B 8 5.789 13.823 -8.136 1.00 0.90 N ATOM 1737 CA GLN B 8 5.935 12.568 -7.417 1.00 0.76 C ATOM 1738 C GLN B 8 6.699 12.802 -6.116 1.00 0.65 C ATOM 1739 O GLN B 8 7.760 13.430 -6.119 1.00 0.64 O ATOM 1740 CB GLN B 8 6.663 11.538 -8.288 1.00 0.71 C ATOM 1741 CG GLN B 8 6.096 11.420 -9.696 1.00 0.89 C ATOM 1742 CD GLN B 8 4.863 10.540 -9.766 1.00 1.17 C ATOM 1743 OE1 GLN B 8 4.953 9.351 -10.075 1.00 1.79 O ATOM 1744 NE2 GLN B 8 3.705 11.113 -9.478 1.00 1.90 N ATOM 0 H GLN B 8 6.632 14.129 -8.623 1.00 0.90 H new ATOM 0 HA GLN B 8 4.945 12.178 -7.179 1.00 0.76 H new ATOM 0 HB2 GLN B 8 7.717 11.808 -8.351 1.00 0.71 H new ATOM 0 HB3 GLN B 8 6.613 10.564 -7.802 1.00 0.71 H new ATOM 0 HG2 GLN B 8 5.847 12.415 -10.066 1.00 0.89 H new ATOM 0 HG3 GLN B 8 6.862 11.016 -10.358 1.00 0.89 H new ATOM 0 HE21 GLN B 8 3.673 12.101 -9.227 1.00 1.90 H new ATOM 0 HE22 GLN B 8 2.844 10.566 -9.507 1.00 1.90 H new ATOM 1753 N PRO B 9 6.150 12.339 -4.985 1.00 0.64 N ATOM 1754 CA PRO B 9 6.786 12.497 -3.677 1.00 0.56 C ATOM 1755 C PRO B 9 7.906 11.484 -3.447 1.00 0.44 C ATOM 1756 O PRO B 9 8.162 10.621 -4.288 1.00 0.38 O ATOM 1757 CB PRO B 9 5.635 12.243 -2.706 1.00 0.61 C ATOM 1758 CG PRO B 9 4.741 11.296 -3.428 1.00 0.75 C ATOM 1759 CD PRO B 9 4.858 11.640 -4.891 1.00 0.77 C ATOM 0 HA PRO B 9 7.260 13.472 -3.565 1.00 0.56 H new ATOM 0 HB2 PRO B 9 5.993 11.815 -1.769 1.00 0.61 H new ATOM 0 HB3 PRO B 9 5.115 13.168 -2.456 1.00 0.61 H new ATOM 0 HG2 PRO B 9 5.039 10.264 -3.246 1.00 0.75 H new ATOM 0 HG3 PRO B 9 3.711 11.395 -3.086 1.00 0.75 H new ATOM 0 HD2 PRO B 9 4.840 10.746 -5.515 1.00 0.77 H new ATOM 0 HD3 PRO B 9 4.035 12.275 -5.220 1.00 0.77 H new ATOM 1767 N THR B 10 8.555 11.579 -2.295 1.00 0.43 N ATOM 1768 CA THR B 10 9.639 10.673 -1.949 1.00 0.37 C ATOM 1769 C THR B 10 9.109 9.447 -1.204 1.00 0.31 C ATOM 1770 O THR B 10 9.689 8.997 -0.210 1.00 0.39 O ATOM 1771 CB THR B 10 10.691 11.397 -1.094 1.00 0.46 C ATOM 1772 OG1 THR B 10 10.251 12.737 -0.820 1.00 0.88 O ATOM 1773 CG2 THR B 10 12.030 11.435 -1.813 1.00 0.62 C ATOM 0 H THR B 10 8.348 12.278 -1.582 1.00 0.43 H new ATOM 0 HA THR B 10 10.107 10.337 -2.874 1.00 0.37 H new ATOM 0 HB THR B 10 10.814 10.853 -0.157 1.00 0.46 H new ATOM 0 HG1 THR B 10 11.030 13.323 -0.722 1.00 0.88 H new ATOM 0 HG21 THR B 10 12.762 11.952 -1.192 1.00 0.62 H new ATOM 0 HG22 THR B 10 12.370 10.417 -2.004 1.00 0.62 H new ATOM 0 HG23 THR B 10 11.920 11.964 -2.760 1.00 0.62 H new ATOM 1781 N GLU B 11 8.003 8.920 -1.708 1.00 0.30 N ATOM 1782 CA GLU B 11 7.348 7.753 -1.142 1.00 0.31 C ATOM 1783 C GLU B 11 6.771 6.921 -2.278 1.00 0.27 C ATOM 1784 O GLU B 11 6.208 7.479 -3.219 1.00 0.31 O ATOM 1785 CB GLU B 11 6.227 8.185 -0.182 1.00 0.45 C ATOM 1786 CG GLU B 11 5.450 7.024 0.429 1.00 1.13 C ATOM 1787 CD GLU B 11 3.944 7.224 0.372 1.00 1.36 C ATOM 1788 OE1 GLU B 11 3.412 7.484 -0.726 1.00 1.65 O ATOM 1789 OE2 GLU B 11 3.276 7.095 1.415 1.00 1.83 O ATOM 0 H GLU B 11 7.531 9.296 -2.530 1.00 0.30 H new ATOM 0 HA GLU B 11 8.071 7.162 -0.579 1.00 0.31 H new ATOM 0 HB2 GLU B 11 6.660 8.781 0.621 1.00 0.45 H new ATOM 0 HB3 GLU B 11 5.532 8.831 -0.719 1.00 0.45 H new ATOM 0 HG2 GLU B 11 5.709 6.104 -0.095 1.00 1.13 H new ATOM 0 HG3 GLU B 11 5.755 6.896 1.468 1.00 1.13 H new ATOM 1796 N PHE B 12 6.933 5.606 -2.218 1.00 0.30 N ATOM 1797 CA PHE B 12 6.398 4.741 -3.261 1.00 0.30 C ATOM 1798 C PHE B 12 6.114 3.340 -2.723 1.00 0.27 C ATOM 1799 O PHE B 12 6.751 2.886 -1.770 1.00 0.33 O ATOM 1800 CB PHE B 12 7.341 4.693 -4.475 1.00 0.35 C ATOM 1801 CG PHE B 12 8.666 4.017 -4.236 1.00 0.34 C ATOM 1802 CD1 PHE B 12 9.745 4.730 -3.739 1.00 0.39 C ATOM 1803 CD2 PHE B 12 8.838 2.675 -4.536 1.00 0.42 C ATOM 1804 CE1 PHE B 12 10.967 4.116 -3.537 1.00 0.42 C ATOM 1805 CE2 PHE B 12 10.058 2.057 -4.338 1.00 0.45 C ATOM 1806 CZ PHE B 12 11.125 2.778 -3.840 1.00 0.40 C ATOM 0 H PHE B 12 7.424 5.119 -1.468 1.00 0.30 H new ATOM 0 HA PHE B 12 5.450 5.164 -3.594 1.00 0.30 H new ATOM 0 HB2 PHE B 12 6.831 4.179 -5.290 1.00 0.35 H new ATOM 0 HB3 PHE B 12 7.528 5.713 -4.810 1.00 0.35 H new ATOM 0 HD1 PHE B 12 9.630 5.778 -3.507 1.00 0.39 H new ATOM 0 HD2 PHE B 12 8.009 2.106 -4.929 1.00 0.42 H new ATOM 0 HE1 PHE B 12 11.798 4.682 -3.142 1.00 0.42 H new ATOM 0 HE2 PHE B 12 10.177 1.010 -4.573 1.00 0.45 H new ATOM 0 HZ PHE B 12 12.080 2.297 -3.688 1.00 0.40 H new ATOM 1816 N ILE B 13 5.141 2.669 -3.332 1.00 0.27 N ATOM 1817 CA ILE B 13 4.752 1.328 -2.918 1.00 0.27 C ATOM 1818 C ILE B 13 5.575 0.267 -3.641 1.00 0.29 C ATOM 1819 O ILE B 13 5.444 0.074 -4.852 1.00 0.35 O ATOM 1820 CB ILE B 13 3.251 1.069 -3.180 1.00 0.36 C ATOM 1821 CG1 ILE B 13 2.394 2.048 -2.375 1.00 0.98 C ATOM 1822 CG2 ILE B 13 2.881 -0.369 -2.833 1.00 0.85 C ATOM 1823 CD1 ILE B 13 2.484 1.849 -0.876 1.00 1.40 C ATOM 0 H ILE B 13 4.605 3.036 -4.119 1.00 0.27 H new ATOM 0 HA ILE B 13 4.942 1.262 -1.847 1.00 0.27 H new ATOM 0 HB ILE B 13 3.057 1.225 -4.241 1.00 0.36 H new ATOM 0 HG12 ILE B 13 2.699 3.066 -2.616 1.00 0.98 H new ATOM 0 HG13 ILE B 13 1.354 1.945 -2.684 1.00 0.98 H new ATOM 0 HG21 ILE B 13 1.820 -0.528 -3.025 1.00 0.85 H new ATOM 0 HG22 ILE B 13 3.468 -1.054 -3.446 1.00 0.85 H new ATOM 0 HG23 ILE B 13 3.091 -0.555 -1.780 1.00 0.85 H new ATOM 0 HD11 ILE B 13 1.850 2.579 -0.373 1.00 1.40 H new ATOM 0 HD12 ILE B 13 2.151 0.843 -0.622 1.00 1.40 H new ATOM 0 HD13 ILE B 13 3.516 1.982 -0.553 1.00 1.40 H new ATOM 1835 N SER B 14 6.424 -0.411 -2.893 1.00 0.34 N ATOM 1836 CA SER B 14 7.257 -1.462 -3.440 1.00 0.42 C ATOM 1837 C SER B 14 6.553 -2.809 -3.296 1.00 0.35 C ATOM 1838 O SER B 14 6.748 -3.526 -2.311 1.00 0.40 O ATOM 1839 CB SER B 14 8.605 -1.484 -2.717 1.00 0.54 C ATOM 1840 OG SER B 14 8.977 -0.182 -2.301 1.00 1.47 O ATOM 0 H SER B 14 6.555 -0.249 -1.894 1.00 0.34 H new ATOM 0 HA SER B 14 7.431 -1.270 -4.499 1.00 0.42 H new ATOM 0 HB2 SER B 14 8.547 -2.144 -1.851 1.00 0.54 H new ATOM 0 HB3 SER B 14 9.370 -1.891 -3.378 1.00 0.54 H new ATOM 0 HG SER B 14 9.292 0.331 -3.074 1.00 1.47 H new ATOM 1846 N ARG B 15 5.709 -3.136 -4.267 1.00 0.31 N ATOM 1847 CA ARG B 15 4.973 -4.392 -4.247 1.00 0.31 C ATOM 1848 C ARG B 15 5.888 -5.533 -4.661 1.00 0.27 C ATOM 1849 O ARG B 15 6.134 -5.742 -5.846 1.00 0.29 O ATOM 1850 CB ARG B 15 3.761 -4.328 -5.184 1.00 0.42 C ATOM 1851 CG ARG B 15 2.782 -3.221 -4.837 1.00 0.54 C ATOM 1852 CD ARG B 15 1.753 -3.015 -5.937 1.00 0.90 C ATOM 1853 NE ARG B 15 0.711 -4.041 -5.922 1.00 1.40 N ATOM 1854 CZ ARG B 15 -0.201 -4.196 -6.884 1.00 1.85 C ATOM 1855 NH1 ARG B 15 -0.195 -3.401 -7.947 1.00 2.03 N ATOM 1856 NH2 ARG B 15 -1.119 -5.145 -6.772 1.00 2.69 N ATOM 0 H ARG B 15 5.518 -2.548 -5.078 1.00 0.31 H new ATOM 0 HA ARG B 15 4.614 -4.566 -3.232 1.00 0.31 H new ATOM 0 HB2 ARG B 15 4.110 -4.185 -6.207 1.00 0.42 H new ATOM 0 HB3 ARG B 15 3.240 -5.285 -5.156 1.00 0.42 H new ATOM 0 HG2 ARG B 15 2.274 -3.464 -3.904 1.00 0.54 H new ATOM 0 HG3 ARG B 15 3.327 -2.292 -4.670 1.00 0.54 H new ATOM 0 HD2 ARG B 15 1.294 -2.033 -5.823 1.00 0.90 H new ATOM 0 HD3 ARG B 15 2.253 -3.023 -6.905 1.00 0.90 H new ATOM 0 HE ARG B 15 0.679 -4.678 -5.126 1.00 1.40 H new ATOM 0 HH11 ARG B 15 0.509 -2.668 -8.031 1.00 2.03 H new ATOM 0 HH12 ARG B 15 -0.894 -3.524 -8.679 1.00 2.03 H new ATOM 0 HH21 ARG B 15 -1.127 -5.753 -5.953 1.00 2.69 H new ATOM 0 HH22 ARG B 15 -1.818 -5.267 -7.505 1.00 2.69 H new ATOM 1870 N HIS B 16 6.401 -6.257 -3.681 1.00 0.28 N ATOM 1871 CA HIS B 16 7.298 -7.372 -3.943 1.00 0.28 C ATOM 1872 C HIS B 16 6.850 -8.598 -3.166 1.00 0.32 C ATOM 1873 O HIS B 16 6.161 -8.475 -2.155 1.00 0.40 O ATOM 1874 CB HIS B 16 8.746 -7.009 -3.572 1.00 0.32 C ATOM 1875 CG HIS B 16 8.975 -6.790 -2.106 1.00 0.36 C ATOM 1876 ND1 HIS B 16 9.113 -7.821 -1.199 1.00 0.54 N ATOM 1877 CD2 HIS B 16 9.089 -5.648 -1.391 1.00 0.75 C ATOM 1878 CE1 HIS B 16 9.304 -7.321 0.005 1.00 0.46 C ATOM 1879 NE2 HIS B 16 9.294 -6.005 -0.081 1.00 0.61 N ATOM 0 H HIS B 16 6.211 -6.093 -2.692 1.00 0.28 H new ATOM 0 HA HIS B 16 7.264 -7.595 -5.009 1.00 0.28 H new ATOM 0 HB2 HIS B 16 9.406 -7.805 -3.915 1.00 0.32 H new ATOM 0 HB3 HIS B 16 9.030 -6.105 -4.111 1.00 0.32 H new ATOM 0 HD1 HIS B 16 9.073 -8.815 -1.425 1.00 0.54 H new ATOM 0 HD2 HIS B 16 9.030 -4.642 -1.778 1.00 0.75 H new ATOM 0 HE1 HIS B 16 9.445 -7.893 0.910 1.00 0.46 H new ATOM 1888 N ASN B 17 7.256 -9.768 -3.624 1.00 0.31 N ATOM 1889 CA ASN B 17 6.887 -11.011 -2.959 1.00 0.39 C ATOM 1890 C ASN B 17 7.739 -11.233 -1.709 1.00 0.35 C ATOM 1891 O ASN B 17 8.645 -10.444 -1.424 1.00 0.32 O ATOM 1892 CB ASN B 17 7.010 -12.196 -3.924 1.00 0.49 C ATOM 1893 CG ASN B 17 8.415 -12.767 -4.037 1.00 0.95 C ATOM 1894 OD1 ASN B 17 9.413 -12.048 -3.969 1.00 2.04 O ATOM 1895 ND2 ASN B 17 8.495 -14.074 -4.199 1.00 0.59 N ATOM 0 H ASN B 17 7.840 -9.887 -4.452 1.00 0.31 H new ATOM 0 HA ASN B 17 5.846 -10.935 -2.645 1.00 0.39 H new ATOM 0 HB2 ASN B 17 6.334 -12.987 -3.598 1.00 0.49 H new ATOM 0 HB3 ASN B 17 6.678 -11.880 -4.913 1.00 0.49 H new ATOM 0 HD21 ASN B 17 9.407 -14.524 -4.273 1.00 0.59 H new ATOM 0 HD22 ASN B 17 7.644 -14.635 -4.251 1.00 0.59 H new ATOM 1902 N ILE B 18 7.447 -12.306 -0.977 1.00 0.40 N ATOM 1903 CA ILE B 18 8.166 -12.638 0.255 1.00 0.45 C ATOM 1904 C ILE B 18 9.679 -12.746 0.044 1.00 0.44 C ATOM 1905 O ILE B 18 10.456 -12.382 0.925 1.00 0.52 O ATOM 1906 CB ILE B 18 7.642 -13.951 0.879 1.00 0.53 C ATOM 1907 CG1 ILE B 18 7.581 -15.062 -0.175 1.00 0.59 C ATOM 1908 CG2 ILE B 18 6.272 -13.725 1.507 1.00 0.57 C ATOM 1909 CD1 ILE B 18 7.183 -16.409 0.385 1.00 0.70 C ATOM 0 H ILE B 18 6.709 -12.968 -1.218 1.00 0.40 H new ATOM 0 HA ILE B 18 7.978 -11.812 0.940 1.00 0.45 H new ATOM 0 HB ILE B 18 8.333 -14.265 1.661 1.00 0.53 H new ATOM 0 HG12 ILE B 18 6.870 -14.776 -0.951 1.00 0.59 H new ATOM 0 HG13 ILE B 18 8.556 -15.151 -0.653 1.00 0.59 H new ATOM 0 HG21 ILE B 18 5.913 -14.657 1.943 1.00 0.57 H new ATOM 0 HG22 ILE B 18 6.349 -12.966 2.286 1.00 0.57 H new ATOM 0 HG23 ILE B 18 5.572 -13.390 0.742 1.00 0.57 H new ATOM 0 HD11 ILE B 18 7.161 -17.145 -0.419 1.00 0.70 H new ATOM 0 HD12 ILE B 18 7.906 -16.717 1.140 1.00 0.70 H new ATOM 0 HD13 ILE B 18 6.194 -16.337 0.838 1.00 0.70 H new ATOM 1921 N GLU B 19 10.096 -13.227 -1.122 1.00 0.41 N ATOM 1922 CA GLU B 19 11.519 -13.372 -1.422 1.00 0.45 C ATOM 1923 C GLU B 19 12.185 -12.013 -1.622 1.00 0.41 C ATOM 1924 O GLU B 19 13.352 -11.823 -1.281 1.00 0.51 O ATOM 1925 CB GLU B 19 11.715 -14.223 -2.673 1.00 0.50 C ATOM 1926 CG GLU B 19 11.218 -15.649 -2.529 1.00 0.65 C ATOM 1927 CD GLU B 19 11.141 -16.360 -3.859 1.00 1.21 C ATOM 1928 OE1 GLU B 19 10.322 -15.953 -4.701 1.00 1.92 O ATOM 1929 OE2 GLU B 19 11.894 -17.331 -4.072 1.00 1.28 O ATOM 0 H GLU B 19 9.473 -13.523 -1.874 1.00 0.41 H new ATOM 0 HA GLU B 19 11.986 -13.865 -0.570 1.00 0.45 H new ATOM 0 HB2 GLU B 19 11.197 -13.750 -3.507 1.00 0.50 H new ATOM 0 HB3 GLU B 19 12.775 -14.242 -2.926 1.00 0.50 H new ATOM 0 HG2 GLU B 19 11.883 -16.199 -1.862 1.00 0.65 H new ATOM 0 HG3 GLU B 19 10.232 -15.644 -2.063 1.00 0.65 H new ATOM 1936 N GLY B 20 11.448 -11.076 -2.199 1.00 0.33 N ATOM 1937 CA GLY B 20 11.989 -9.754 -2.428 1.00 0.32 C ATOM 1938 C GLY B 20 11.861 -9.321 -3.871 1.00 0.29 C ATOM 1939 O GLY B 20 12.188 -8.185 -4.209 1.00 0.34 O ATOM 0 H GLY B 20 10.486 -11.208 -2.512 1.00 0.33 H new ATOM 0 HA2 GLY B 20 11.473 -9.037 -1.789 1.00 0.32 H new ATOM 0 HA3 GLY B 20 13.040 -9.739 -2.139 1.00 0.32 H new ATOM 1943 N ILE B 21 11.384 -10.230 -4.713 1.00 0.27 N ATOM 1944 CA ILE B 21 11.203 -9.950 -6.128 1.00 0.28 C ATOM 1945 C ILE B 21 10.049 -8.981 -6.320 1.00 0.27 C ATOM 1946 O ILE B 21 8.937 -9.226 -5.848 1.00 0.31 O ATOM 1947 CB ILE B 21 10.922 -11.240 -6.932 1.00 0.32 C ATOM 1948 CG1 ILE B 21 12.098 -12.216 -6.811 1.00 0.37 C ATOM 1949 CG2 ILE B 21 10.644 -10.913 -8.395 1.00 0.41 C ATOM 1950 CD1 ILE B 21 13.363 -11.743 -7.497 1.00 0.47 C ATOM 0 H ILE B 21 11.114 -11.174 -4.435 1.00 0.27 H new ATOM 0 HA ILE B 21 12.129 -9.509 -6.498 1.00 0.28 H new ATOM 0 HB ILE B 21 10.035 -11.717 -6.515 1.00 0.32 H new ATOM 0 HG12 ILE B 21 12.310 -12.384 -5.755 1.00 0.37 H new ATOM 0 HG13 ILE B 21 11.805 -13.177 -7.234 1.00 0.37 H new ATOM 0 HG21 ILE B 21 10.449 -11.835 -8.943 1.00 0.41 H new ATOM 0 HG22 ILE B 21 9.774 -10.259 -8.463 1.00 0.41 H new ATOM 0 HG23 ILE B 21 11.510 -10.411 -8.826 1.00 0.41 H new ATOM 0 HD11 ILE B 21 14.148 -12.488 -7.366 1.00 0.47 H new ATOM 0 HD12 ILE B 21 13.169 -11.603 -8.560 1.00 0.47 H new ATOM 0 HD13 ILE B 21 13.683 -10.798 -7.059 1.00 0.47 H new ATOM 1962 N PHE B 22 10.323 -7.871 -6.984 1.00 0.25 N ATOM 1963 CA PHE B 22 9.306 -6.862 -7.231 1.00 0.27 C ATOM 1964 C PHE B 22 8.269 -7.352 -8.234 1.00 0.28 C ATOM 1965 O PHE B 22 8.600 -7.711 -9.365 1.00 0.35 O ATOM 1966 CB PHE B 22 9.942 -5.571 -7.744 1.00 0.31 C ATOM 1967 CG PHE B 22 10.631 -4.767 -6.680 1.00 0.33 C ATOM 1968 CD1 PHE B 22 11.961 -5.000 -6.367 1.00 0.38 C ATOM 1969 CD2 PHE B 22 9.952 -3.769 -6.003 1.00 0.36 C ATOM 1970 CE1 PHE B 22 12.598 -4.253 -5.396 1.00 0.45 C ATOM 1971 CE2 PHE B 22 10.584 -3.020 -5.029 1.00 0.44 C ATOM 1972 CZ PHE B 22 11.909 -3.262 -4.727 1.00 0.46 C ATOM 0 H PHE B 22 11.243 -7.645 -7.363 1.00 0.25 H new ATOM 0 HA PHE B 22 8.805 -6.666 -6.283 1.00 0.27 H new ATOM 0 HB2 PHE B 22 10.663 -5.818 -8.523 1.00 0.31 H new ATOM 0 HB3 PHE B 22 9.170 -4.956 -8.207 1.00 0.31 H new ATOM 0 HD1 PHE B 22 12.505 -5.774 -6.888 1.00 0.38 H new ATOM 0 HD2 PHE B 22 8.916 -3.573 -6.239 1.00 0.36 H new ATOM 0 HE1 PHE B 22 13.634 -4.444 -5.160 1.00 0.45 H new ATOM 0 HE2 PHE B 22 10.042 -2.247 -4.505 1.00 0.44 H new ATOM 0 HZ PHE B 22 12.406 -2.676 -3.968 1.00 0.46 H new ATOM 1982 N THR B 23 7.017 -7.365 -7.803 1.00 0.27 N ATOM 1983 CA THR B 23 5.908 -7.776 -8.647 1.00 0.30 C ATOM 1984 C THR B 23 5.410 -6.566 -9.433 1.00 0.27 C ATOM 1985 O THR B 23 5.020 -6.669 -10.596 1.00 0.33 O ATOM 1986 CB THR B 23 4.758 -8.349 -7.796 1.00 0.42 C ATOM 1987 OG1 THR B 23 5.298 -9.098 -6.699 1.00 1.35 O ATOM 1988 CG2 THR B 23 3.850 -9.245 -8.626 1.00 1.14 C ATOM 0 H THR B 23 6.742 -7.091 -6.860 1.00 0.27 H new ATOM 0 HA THR B 23 6.250 -8.554 -9.330 1.00 0.30 H new ATOM 0 HB THR B 23 4.165 -7.515 -7.421 1.00 0.42 H new ATOM 0 HG1 THR B 23 4.565 -9.460 -6.158 1.00 1.35 H new ATOM 0 HG21 THR B 23 3.049 -9.634 -7.997 1.00 1.14 H new ATOM 0 HG22 THR B 23 3.421 -8.669 -9.446 1.00 1.14 H new ATOM 0 HG23 THR B 23 4.429 -10.075 -9.030 1.00 1.14 H new ATOM 1996 N PHE B 24 5.449 -5.414 -8.773 1.00 0.25 N ATOM 1997 CA PHE B 24 5.037 -4.153 -9.367 1.00 0.28 C ATOM 1998 C PHE B 24 5.683 -3.010 -8.601 1.00 0.26 C ATOM 1999 O PHE B 24 5.735 -3.032 -7.370 1.00 0.27 O ATOM 2000 CB PHE B 24 3.512 -4.004 -9.361 1.00 0.36 C ATOM 2001 CG PHE B 24 3.033 -2.779 -10.092 1.00 0.46 C ATOM 2002 CD1 PHE B 24 3.333 -2.599 -11.433 1.00 0.59 C ATOM 2003 CD2 PHE B 24 2.292 -1.805 -9.439 1.00 0.51 C ATOM 2004 CE1 PHE B 24 2.904 -1.471 -12.109 1.00 0.71 C ATOM 2005 CE2 PHE B 24 1.859 -0.676 -10.110 1.00 0.61 C ATOM 2006 CZ PHE B 24 2.166 -0.509 -11.446 1.00 0.70 C ATOM 0 H PHE B 24 5.769 -5.331 -7.808 1.00 0.25 H new ATOM 0 HA PHE B 24 5.362 -4.132 -10.407 1.00 0.28 H new ATOM 0 HB2 PHE B 24 3.065 -4.888 -9.816 1.00 0.36 H new ATOM 0 HB3 PHE B 24 3.161 -3.964 -8.330 1.00 0.36 H new ATOM 0 HD1 PHE B 24 3.908 -3.348 -11.956 1.00 0.59 H new ATOM 0 HD2 PHE B 24 2.050 -1.930 -8.394 1.00 0.51 H new ATOM 0 HE1 PHE B 24 3.146 -1.342 -13.154 1.00 0.71 H new ATOM 0 HE2 PHE B 24 1.282 0.074 -9.590 1.00 0.61 H new ATOM 0 HZ PHE B 24 1.830 0.372 -11.972 1.00 0.70 H new ATOM 2016 N VAL B 25 6.184 -2.021 -9.319 1.00 0.26 N ATOM 2017 CA VAL B 25 6.839 -0.893 -8.686 1.00 0.27 C ATOM 2018 C VAL B 25 6.077 0.398 -8.944 1.00 0.26 C ATOM 2019 O VAL B 25 5.612 0.652 -10.059 1.00 0.25 O ATOM 2020 CB VAL B 25 8.296 -0.739 -9.172 1.00 0.34 C ATOM 2021 CG1 VAL B 25 9.047 0.287 -8.334 1.00 0.74 C ATOM 2022 CG2 VAL B 25 9.014 -2.080 -9.147 1.00 0.78 C ATOM 0 H VAL B 25 6.150 -1.977 -10.337 1.00 0.26 H new ATOM 0 HA VAL B 25 6.849 -1.091 -7.614 1.00 0.27 H new ATOM 0 HB VAL B 25 8.271 -0.380 -10.201 1.00 0.34 H new ATOM 0 HG11 VAL B 25 10.071 0.375 -8.698 1.00 0.74 H new ATOM 0 HG12 VAL B 25 8.550 1.254 -8.411 1.00 0.74 H new ATOM 0 HG13 VAL B 25 9.059 -0.033 -7.292 1.00 0.74 H new ATOM 0 HG21 VAL B 25 10.039 -1.950 -9.493 1.00 0.78 H new ATOM 0 HG22 VAL B 25 9.021 -2.470 -8.129 1.00 0.78 H new ATOM 0 HG23 VAL B 25 8.497 -2.782 -9.801 1.00 0.78 H new ATOM 2032 N ASP B 26 5.940 1.186 -7.891 1.00 0.27 N ATOM 2033 CA ASP B 26 5.253 2.468 -7.950 1.00 0.29 C ATOM 2034 C ASP B 26 5.964 3.408 -8.918 1.00 0.24 C ATOM 2035 O ASP B 26 7.188 3.502 -8.913 1.00 0.22 O ATOM 2036 CB ASP B 26 5.232 3.080 -6.555 1.00 0.39 C ATOM 2037 CG ASP B 26 4.177 4.147 -6.376 1.00 0.48 C ATOM 2038 OD1 ASP B 26 4.174 5.129 -7.147 1.00 0.78 O ATOM 2039 OD2 ASP B 26 3.365 4.021 -5.434 1.00 0.72 O ATOM 0 H ASP B 26 6.303 0.955 -6.966 1.00 0.27 H new ATOM 0 HA ASP B 26 4.233 2.317 -8.305 1.00 0.29 H new ATOM 0 HB2 ASP B 26 5.064 2.289 -5.823 1.00 0.39 H new ATOM 0 HB3 ASP B 26 6.211 3.510 -6.342 1.00 0.39 H new ATOM 2044 N HIS B 27 5.195 4.121 -9.730 1.00 0.26 N ATOM 2045 CA HIS B 27 5.765 5.045 -10.715 1.00 0.26 C ATOM 2046 C HIS B 27 6.412 6.265 -10.057 1.00 0.23 C ATOM 2047 O HIS B 27 7.059 7.068 -10.730 1.00 0.26 O ATOM 2048 CB HIS B 27 4.706 5.503 -11.732 1.00 0.34 C ATOM 2049 CG HIS B 27 3.425 5.998 -11.126 1.00 0.50 C ATOM 2050 ND1 HIS B 27 3.290 7.235 -10.527 1.00 0.70 N ATOM 2051 CD2 HIS B 27 2.209 5.409 -11.040 1.00 0.66 C ATOM 2052 CE1 HIS B 27 2.049 7.382 -10.102 1.00 0.86 C ATOM 2053 NE2 HIS B 27 1.375 6.289 -10.401 1.00 0.83 N ATOM 0 H HIS B 27 4.176 4.081 -9.730 1.00 0.26 H new ATOM 0 HA HIS B 27 6.544 4.492 -11.240 1.00 0.26 H new ATOM 0 HB2 HIS B 27 5.132 6.297 -12.346 1.00 0.34 H new ATOM 0 HB3 HIS B 27 4.479 4.671 -12.399 1.00 0.34 H new ATOM 0 HD1 HIS B 27 4.033 7.927 -10.428 1.00 0.70 H new ATOM 0 HD2 HIS B 27 1.945 4.428 -11.407 1.00 0.66 H new ATOM 0 HE1 HIS B 27 1.653 8.250 -9.596 1.00 0.86 H new ATOM 2062 N ARG B 28 6.243 6.403 -8.749 1.00 0.24 N ATOM 2063 CA ARG B 28 6.815 7.533 -8.027 1.00 0.27 C ATOM 2064 C ARG B 28 8.253 7.247 -7.589 1.00 0.24 C ATOM 2065 O ARG B 28 8.946 8.136 -7.087 1.00 0.28 O ATOM 2066 CB ARG B 28 5.941 7.873 -6.818 1.00 0.35 C ATOM 2067 CG ARG B 28 4.532 8.304 -7.207 1.00 0.48 C ATOM 2068 CD ARG B 28 3.611 8.401 -6.007 1.00 0.56 C ATOM 2069 NE ARG B 28 3.447 7.115 -5.344 1.00 0.99 N ATOM 2070 CZ ARG B 28 3.341 6.971 -4.028 1.00 1.26 C ATOM 2071 NH1 ARG B 28 3.341 8.036 -3.240 1.00 1.61 N ATOM 2072 NH2 ARG B 28 3.228 5.761 -3.502 1.00 1.87 N ATOM 0 H ARG B 28 5.717 5.750 -8.168 1.00 0.24 H new ATOM 0 HA ARG B 28 6.843 8.390 -8.700 1.00 0.27 H new ATOM 0 HB2 ARG B 28 5.882 7.004 -6.163 1.00 0.35 H new ATOM 0 HB3 ARG B 28 6.415 8.671 -6.246 1.00 0.35 H new ATOM 0 HG2 ARG B 28 4.575 9.271 -7.709 1.00 0.48 H new ATOM 0 HG3 ARG B 28 4.120 7.592 -7.922 1.00 0.48 H new ATOM 0 HD2 ARG B 28 4.012 9.126 -5.299 1.00 0.56 H new ATOM 0 HD3 ARG B 28 2.637 8.772 -6.326 1.00 0.56 H new ATOM 0 HE ARG B 28 3.411 6.276 -5.924 1.00 0.99 H new ATOM 0 HH11 ARG B 28 3.423 8.969 -3.644 1.00 1.61 H new ATOM 0 HH12 ARG B 28 3.259 7.923 -2.230 1.00 1.61 H new ATOM 0 HH21 ARG B 28 3.222 4.940 -4.107 1.00 1.87 H new ATOM 0 HH22 ARG B 28 3.147 5.650 -2.491 1.00 1.87 H new ATOM 2086 N CYS B 29 8.713 6.016 -7.817 1.00 0.21 N ATOM 2087 CA CYS B 29 10.069 5.614 -7.442 1.00 0.22 C ATOM 2088 C CYS B 29 11.117 6.428 -8.195 1.00 0.22 C ATOM 2089 O CYS B 29 12.237 6.622 -7.712 1.00 0.25 O ATOM 2090 CB CYS B 29 10.279 4.125 -7.723 1.00 0.27 C ATOM 2091 SG CYS B 29 10.138 3.676 -9.470 1.00 1.34 S ATOM 0 H CYS B 29 8.165 5.279 -8.260 1.00 0.21 H new ATOM 0 HA CYS B 29 10.186 5.803 -6.375 1.00 0.22 H new ATOM 0 HB2 CYS B 29 11.266 3.834 -7.363 1.00 0.27 H new ATOM 0 HB3 CYS B 29 9.549 3.552 -7.152 1.00 0.27 H new ATOM 0 HG CYS B 29 11.325 3.591 -9.993 1.00 1.34 H new ATOM 2097 N VAL B 30 10.739 6.909 -9.373 1.00 0.24 N ATOM 2098 CA VAL B 30 11.630 7.697 -10.215 1.00 0.31 C ATOM 2099 C VAL B 30 12.045 8.993 -9.517 1.00 0.33 C ATOM 2100 O VAL B 30 13.169 9.466 -9.677 1.00 0.38 O ATOM 2101 CB VAL B 30 10.966 8.030 -11.568 1.00 0.39 C ATOM 2102 CG1 VAL B 30 11.969 8.662 -12.521 1.00 1.01 C ATOM 2103 CG2 VAL B 30 10.351 6.781 -12.188 1.00 0.92 C ATOM 0 H VAL B 30 9.811 6.765 -9.770 1.00 0.24 H new ATOM 0 HA VAL B 30 12.519 7.094 -10.397 1.00 0.31 H new ATOM 0 HB VAL B 30 10.169 8.750 -11.386 1.00 0.39 H new ATOM 0 HG11 VAL B 30 11.479 8.888 -13.468 1.00 1.01 H new ATOM 0 HG12 VAL B 30 12.356 9.582 -12.084 1.00 1.01 H new ATOM 0 HG13 VAL B 30 12.792 7.969 -12.695 1.00 1.01 H new ATOM 0 HG21 VAL B 30 9.888 7.038 -13.141 1.00 0.92 H new ATOM 0 HG22 VAL B 30 11.129 6.035 -12.352 1.00 0.92 H new ATOM 0 HG23 VAL B 30 9.595 6.375 -11.515 1.00 0.92 H new ATOM 2113 N ALA B 31 11.145 9.557 -8.726 1.00 0.34 N ATOM 2114 CA ALA B 31 11.439 10.789 -8.011 1.00 0.40 C ATOM 2115 C ALA B 31 12.097 10.492 -6.671 1.00 0.39 C ATOM 2116 O ALA B 31 12.852 11.307 -6.145 1.00 0.45 O ATOM 2117 CB ALA B 31 10.171 11.603 -7.811 1.00 0.46 C ATOM 0 H ALA B 31 10.210 9.184 -8.564 1.00 0.34 H new ATOM 0 HA ALA B 31 12.136 11.374 -8.611 1.00 0.40 H new ATOM 0 HB1 ALA B 31 10.409 12.521 -7.274 1.00 0.46 H new ATOM 0 HB2 ALA B 31 9.741 11.851 -8.781 1.00 0.46 H new ATOM 0 HB3 ALA B 31 9.453 11.021 -7.234 1.00 0.46 H new ATOM 2123 N THR B 32 11.818 9.317 -6.128 1.00 0.36 N ATOM 2124 CA THR B 32 12.375 8.922 -4.845 1.00 0.38 C ATOM 2125 C THR B 32 13.835 8.469 -4.963 1.00 0.42 C ATOM 2126 O THR B 32 14.727 9.061 -4.351 1.00 0.48 O ATOM 2127 CB THR B 32 11.542 7.794 -4.212 1.00 0.37 C ATOM 2128 OG1 THR B 32 10.145 8.094 -4.328 1.00 0.36 O ATOM 2129 CG2 THR B 32 11.904 7.611 -2.747 1.00 0.44 C ATOM 0 H THR B 32 11.209 8.620 -6.557 1.00 0.36 H new ATOM 0 HA THR B 32 12.343 9.804 -4.206 1.00 0.38 H new ATOM 0 HB THR B 32 11.762 6.868 -4.743 1.00 0.37 H new ATOM 0 HG1 THR B 32 9.859 7.968 -5.257 1.00 0.36 H new ATOM 0 HG21 THR B 32 11.302 6.808 -2.321 1.00 0.44 H new ATOM 0 HG22 THR B 32 12.961 7.357 -2.662 1.00 0.44 H new ATOM 0 HG23 THR B 32 11.709 8.537 -2.206 1.00 0.44 H new ATOM 2137 N VAL B 33 14.080 7.426 -5.753 1.00 0.42 N ATOM 2138 CA VAL B 33 15.436 6.904 -5.910 1.00 0.52 C ATOM 2139 C VAL B 33 15.969 7.084 -7.330 1.00 0.57 C ATOM 2140 O VAL B 33 17.156 6.877 -7.583 1.00 0.99 O ATOM 2141 CB VAL B 33 15.522 5.412 -5.525 1.00 0.56 C ATOM 2142 CG1 VAL B 33 15.467 5.247 -4.013 1.00 0.67 C ATOM 2143 CG2 VAL B 33 14.414 4.609 -6.193 1.00 0.51 C ATOM 0 H VAL B 33 13.367 6.931 -6.289 1.00 0.42 H new ATOM 0 HA VAL B 33 16.057 7.488 -5.230 1.00 0.52 H new ATOM 0 HB VAL B 33 16.477 5.026 -5.881 1.00 0.56 H new ATOM 0 HG11 VAL B 33 15.529 4.189 -3.760 1.00 0.67 H new ATOM 0 HG12 VAL B 33 16.303 5.778 -3.558 1.00 0.67 H new ATOM 0 HG13 VAL B 33 14.529 5.656 -3.636 1.00 0.67 H new ATOM 0 HG21 VAL B 33 14.499 3.561 -5.904 1.00 0.51 H new ATOM 0 HG22 VAL B 33 13.444 4.995 -5.878 1.00 0.51 H new ATOM 0 HG23 VAL B 33 14.504 4.695 -7.276 1.00 0.51 H new ATOM 2153 N GLY B 34 15.090 7.448 -8.257 1.00 0.36 N ATOM 2154 CA GLY B 34 15.509 7.651 -9.634 1.00 0.38 C ATOM 2155 C GLY B 34 15.500 6.368 -10.441 1.00 0.33 C ATOM 2156 O GLY B 34 15.769 6.378 -11.640 1.00 0.38 O ATOM 0 H GLY B 34 14.098 7.606 -8.082 1.00 0.36 H new ATOM 0 HA2 GLY B 34 14.849 8.378 -10.107 1.00 0.38 H new ATOM 0 HA3 GLY B 34 16.513 8.076 -9.646 1.00 0.38 H new ATOM 2160 N TYR B 35 15.188 5.267 -9.779 1.00 0.32 N ATOM 2161 CA TYR B 35 15.143 3.966 -10.429 1.00 0.31 C ATOM 2162 C TYR B 35 13.844 3.792 -11.201 1.00 0.29 C ATOM 2163 O TYR B 35 12.782 4.217 -10.742 1.00 0.35 O ATOM 2164 CB TYR B 35 15.262 2.852 -9.388 1.00 0.33 C ATOM 2165 CG TYR B 35 16.612 2.181 -9.359 1.00 0.30 C ATOM 2166 CD1 TYR B 35 17.013 1.344 -10.390 1.00 0.39 C ATOM 2167 CD2 TYR B 35 17.484 2.380 -8.298 1.00 0.30 C ATOM 2168 CE1 TYR B 35 18.245 0.726 -10.367 1.00 0.39 C ATOM 2169 CE2 TYR B 35 18.720 1.764 -8.267 1.00 0.30 C ATOM 2170 CZ TYR B 35 19.094 0.939 -9.305 1.00 0.30 C ATOM 2171 OH TYR B 35 20.324 0.326 -9.279 1.00 0.34 O ATOM 0 H TYR B 35 14.960 5.248 -8.785 1.00 0.32 H new ATOM 0 HA TYR B 35 15.980 3.908 -11.125 1.00 0.31 H new ATOM 0 HB2 TYR B 35 15.053 3.266 -8.402 1.00 0.33 H new ATOM 0 HB3 TYR B 35 14.498 2.100 -9.587 1.00 0.33 H new ATOM 0 HD1 TYR B 35 16.349 1.174 -11.225 1.00 0.39 H new ATOM 0 HD2 TYR B 35 17.192 3.027 -7.484 1.00 0.30 H new ATOM 0 HE1 TYR B 35 18.542 0.078 -11.178 1.00 0.39 H new ATOM 0 HE2 TYR B 35 19.389 1.928 -7.435 1.00 0.30 H new ATOM 0 HH TYR B 35 20.251 -0.534 -8.816 1.00 0.34 H new ATOM 2181 N GLN B 36 13.932 3.182 -12.374 1.00 0.30 N ATOM 2182 CA GLN B 36 12.751 2.934 -13.183 1.00 0.31 C ATOM 2183 C GLN B 36 12.010 1.723 -12.627 1.00 0.30 C ATOM 2184 O GLN B 36 12.640 0.765 -12.179 1.00 0.35 O ATOM 2185 CB GLN B 36 13.131 2.689 -14.646 1.00 0.40 C ATOM 2186 CG GLN B 36 13.709 3.905 -15.355 1.00 0.42 C ATOM 2187 CD GLN B 36 12.829 5.132 -15.234 1.00 0.81 C ATOM 2188 OE1 GLN B 36 11.767 5.211 -15.848 1.00 1.63 O ATOM 2189 NE2 GLN B 36 13.277 6.111 -14.463 1.00 1.29 N ATOM 0 H GLN B 36 14.805 2.851 -12.784 1.00 0.30 H new ATOM 0 HA GLN B 36 12.106 3.812 -13.145 1.00 0.31 H new ATOM 0 HB2 GLN B 36 13.858 1.878 -14.689 1.00 0.40 H new ATOM 0 HB3 GLN B 36 12.247 2.354 -15.188 1.00 0.40 H new ATOM 0 HG2 GLN B 36 14.692 4.127 -14.941 1.00 0.42 H new ATOM 0 HG3 GLN B 36 13.853 3.670 -16.410 1.00 0.42 H new ATOM 0 HE21 GLN B 36 14.164 6.007 -13.970 1.00 1.29 H new ATOM 0 HE22 GLN B 36 12.735 6.969 -14.362 1.00 1.29 H new ATOM 2198 N PRO B 37 10.670 1.745 -12.637 1.00 0.33 N ATOM 2199 CA PRO B 37 9.855 0.639 -12.117 1.00 0.35 C ATOM 2200 C PRO B 37 10.222 -0.708 -12.742 1.00 0.31 C ATOM 2201 O PRO B 37 10.225 -1.740 -12.070 1.00 0.30 O ATOM 2202 CB PRO B 37 8.428 1.038 -12.504 1.00 0.43 C ATOM 2203 CG PRO B 37 8.469 2.521 -12.623 1.00 0.49 C ATOM 2204 CD PRO B 37 9.838 2.851 -13.147 1.00 0.40 C ATOM 0 HA PRO B 37 10.000 0.499 -11.046 1.00 0.35 H new ATOM 0 HB2 PRO B 37 8.128 0.574 -13.443 1.00 0.43 H new ATOM 0 HB3 PRO B 37 7.709 0.721 -11.748 1.00 0.43 H new ATOM 0 HG2 PRO B 37 7.694 2.881 -13.300 1.00 0.49 H new ATOM 0 HG3 PRO B 37 8.295 2.996 -11.658 1.00 0.49 H new ATOM 0 HD2 PRO B 37 9.852 2.896 -14.236 1.00 0.40 H new ATOM 0 HD3 PRO B 37 10.186 3.818 -12.783 1.00 0.40 H new ATOM 2212 N GLN B 38 10.566 -0.684 -14.022 1.00 0.33 N ATOM 2213 CA GLN B 38 10.921 -1.898 -14.750 1.00 0.35 C ATOM 2214 C GLN B 38 12.292 -2.433 -14.332 1.00 0.34 C ATOM 2215 O GLN B 38 12.597 -3.603 -14.554 1.00 0.33 O ATOM 2216 CB GLN B 38 10.902 -1.639 -16.260 1.00 0.46 C ATOM 2217 CG GLN B 38 9.577 -1.089 -16.771 1.00 0.57 C ATOM 2218 CD GLN B 38 9.557 0.428 -16.839 1.00 1.14 C ATOM 2219 OE1 GLN B 38 10.246 1.108 -16.076 1.00 2.03 O ATOM 2220 NE2 GLN B 38 8.770 0.969 -17.754 1.00 1.34 N ATOM 0 H GLN B 38 10.607 0.167 -14.582 1.00 0.33 H new ATOM 0 HA GLN B 38 10.177 -2.655 -14.502 1.00 0.35 H new ATOM 0 HB2 GLN B 38 11.697 -0.936 -16.509 1.00 0.46 H new ATOM 0 HB3 GLN B 38 11.124 -2.570 -16.782 1.00 0.46 H new ATOM 0 HG2 GLN B 38 9.378 -1.495 -17.763 1.00 0.57 H new ATOM 0 HG3 GLN B 38 8.772 -1.430 -16.120 1.00 0.57 H new ATOM 0 HE21 GLN B 38 8.215 0.372 -18.367 1.00 1.34 H new ATOM 0 HE22 GLN B 38 8.718 1.983 -17.847 1.00 1.34 H new ATOM 2229 N GLU B 39 13.107 -1.585 -13.715 1.00 0.39 N ATOM 2230 CA GLU B 39 14.439 -1.992 -13.280 1.00 0.44 C ATOM 2231 C GLU B 39 14.359 -2.852 -12.024 1.00 0.44 C ATOM 2232 O GLU B 39 15.134 -3.798 -11.854 1.00 0.53 O ATOM 2233 CB GLU B 39 15.319 -0.768 -13.017 1.00 0.55 C ATOM 2234 CG GLU B 39 15.570 0.084 -14.250 1.00 0.59 C ATOM 2235 CD GLU B 39 16.668 1.103 -14.035 1.00 1.16 C ATOM 2236 OE1 GLU B 39 16.371 2.218 -13.556 1.00 1.69 O ATOM 2237 OE2 GLU B 39 17.839 0.793 -14.345 1.00 1.59 O ATOM 0 H GLU B 39 12.871 -0.615 -13.505 1.00 0.39 H new ATOM 0 HA GLU B 39 14.886 -2.582 -14.080 1.00 0.44 H new ATOM 0 HB2 GLU B 39 14.848 -0.152 -12.251 1.00 0.55 H new ATOM 0 HB3 GLU B 39 16.276 -1.100 -12.615 1.00 0.55 H new ATOM 0 HG2 GLU B 39 15.837 -0.562 -15.086 1.00 0.59 H new ATOM 0 HG3 GLU B 39 14.650 0.599 -14.526 1.00 0.59 H new ATOM 2244 N LEU B 40 13.417 -2.520 -11.148 1.00 0.41 N ATOM 2245 CA LEU B 40 13.232 -3.264 -9.907 1.00 0.44 C ATOM 2246 C LEU B 40 12.517 -4.583 -10.178 1.00 0.40 C ATOM 2247 O LEU B 40 12.744 -5.578 -9.490 1.00 0.45 O ATOM 2248 CB LEU B 40 12.433 -2.444 -8.885 1.00 0.50 C ATOM 2249 CG LEU B 40 13.165 -1.255 -8.244 1.00 0.53 C ATOM 2250 CD1 LEU B 40 14.632 -1.576 -8.004 1.00 1.10 C ATOM 2251 CD2 LEU B 40 13.024 -0.008 -9.100 1.00 1.24 C ATOM 0 H LEU B 40 12.770 -1.741 -11.274 1.00 0.41 H new ATOM 0 HA LEU B 40 14.219 -3.469 -9.492 1.00 0.44 H new ATOM 0 HB2 LEU B 40 11.535 -2.069 -9.375 1.00 0.50 H new ATOM 0 HB3 LEU B 40 12.106 -3.114 -8.089 1.00 0.50 H new ATOM 0 HG LEU B 40 12.700 -1.062 -7.277 1.00 0.53 H new ATOM 0 HD11 LEU B 40 15.123 -0.715 -7.550 1.00 1.10 H new ATOM 0 HD12 LEU B 40 14.712 -2.434 -7.336 1.00 1.10 H new ATOM 0 HD13 LEU B 40 15.114 -1.809 -8.954 1.00 1.10 H new ATOM 0 HD21 LEU B 40 13.550 0.820 -8.626 1.00 1.24 H new ATOM 0 HD22 LEU B 40 13.451 -0.193 -10.085 1.00 1.24 H new ATOM 0 HD23 LEU B 40 11.969 0.245 -9.204 1.00 1.24 H new ATOM 2263 N LEU B 41 11.656 -4.583 -11.191 1.00 0.34 N ATOM 2264 CA LEU B 41 10.901 -5.777 -11.559 1.00 0.34 C ATOM 2265 C LEU B 41 11.836 -6.923 -11.923 1.00 0.38 C ATOM 2266 O LEU B 41 12.678 -6.791 -12.813 1.00 0.43 O ATOM 2267 CB LEU B 41 9.970 -5.487 -12.738 1.00 0.29 C ATOM 2268 CG LEU B 41 8.865 -4.467 -12.467 1.00 0.28 C ATOM 2269 CD1 LEU B 41 8.034 -4.246 -13.718 1.00 0.30 C ATOM 2270 CD2 LEU B 41 7.983 -4.923 -11.315 1.00 0.30 C ATOM 0 H LEU B 41 11.463 -3.768 -11.773 1.00 0.34 H new ATOM 0 HA LEU B 41 10.305 -6.068 -10.694 1.00 0.34 H new ATOM 0 HB2 LEU B 41 10.571 -5.132 -13.575 1.00 0.29 H new ATOM 0 HB3 LEU B 41 9.508 -6.423 -13.052 1.00 0.29 H new ATOM 0 HG LEU B 41 9.330 -3.522 -12.186 1.00 0.28 H new ATOM 0 HD11 LEU B 41 7.251 -3.517 -13.510 1.00 0.30 H new ATOM 0 HD12 LEU B 41 8.673 -3.874 -14.518 1.00 0.30 H new ATOM 0 HD13 LEU B 41 7.581 -5.189 -14.025 1.00 0.30 H new ATOM 0 HD21 LEU B 41 7.203 -4.182 -11.139 1.00 0.30 H new ATOM 0 HD22 LEU B 41 7.525 -5.880 -11.564 1.00 0.30 H new ATOM 0 HD23 LEU B 41 8.588 -5.034 -10.415 1.00 0.30 H new ATOM 2282 N GLY B 42 11.695 -8.038 -11.223 1.00 0.43 N ATOM 2283 CA GLY B 42 12.525 -9.194 -11.495 1.00 0.51 C ATOM 2284 C GLY B 42 13.763 -9.252 -10.625 1.00 0.49 C ATOM 2285 O GLY B 42 14.534 -10.206 -10.701 1.00 0.53 O ATOM 0 H GLY B 42 11.019 -8.164 -10.469 1.00 0.43 H new ATOM 0 HA2 GLY B 42 11.938 -10.100 -11.343 1.00 0.51 H new ATOM 0 HA3 GLY B 42 12.824 -9.181 -12.543 1.00 0.51 H new ATOM 2289 N LYS B 43 13.959 -8.238 -9.800 1.00 0.46 N ATOM 2290 CA LYS B 43 15.116 -8.188 -8.918 1.00 0.47 C ATOM 2291 C LYS B 43 14.678 -8.197 -7.461 1.00 0.40 C ATOM 2292 O LYS B 43 13.513 -7.940 -7.154 1.00 0.50 O ATOM 2293 CB LYS B 43 15.949 -6.933 -9.195 1.00 0.57 C ATOM 2294 CG LYS B 43 16.759 -6.989 -10.484 1.00 0.73 C ATOM 2295 CD LYS B 43 18.131 -7.616 -10.268 1.00 0.81 C ATOM 2296 CE LYS B 43 18.077 -9.134 -10.320 1.00 1.70 C ATOM 2297 NZ LYS B 43 19.376 -9.747 -9.935 1.00 2.45 N ATOM 0 H LYS B 43 13.332 -7.437 -9.721 1.00 0.46 H new ATOM 0 HA LYS B 43 15.726 -9.070 -9.112 1.00 0.47 H new ATOM 0 HB2 LYS B 43 15.283 -6.071 -9.235 1.00 0.57 H new ATOM 0 HB3 LYS B 43 16.629 -6.771 -8.359 1.00 0.57 H new ATOM 0 HG2 LYS B 43 16.212 -7.563 -11.232 1.00 0.73 H new ATOM 0 HG3 LYS B 43 16.879 -5.981 -10.881 1.00 0.73 H new ATOM 0 HD2 LYS B 43 18.820 -7.251 -11.030 1.00 0.81 H new ATOM 0 HD3 LYS B 43 18.526 -7.300 -9.303 1.00 0.81 H new ATOM 0 HE2 LYS B 43 17.294 -9.493 -9.652 1.00 1.70 H new ATOM 0 HE3 LYS B 43 17.809 -9.454 -11.327 1.00 1.70 H new ATOM 0 HZ1 LYS B 43 19.209 -10.696 -9.543 1.00 2.45 H new ATOM 0 HZ2 LYS B 43 19.987 -9.821 -10.773 1.00 2.45 H new ATOM 0 HZ3 LYS B 43 19.842 -9.153 -9.219 1.00 2.45 H new ATOM 2311 N ASN B 44 15.613 -8.504 -6.570 1.00 0.32 N ATOM 2312 CA ASN B 44 15.328 -8.529 -5.146 1.00 0.29 C ATOM 2313 C ASN B 44 15.662 -7.176 -4.541 1.00 0.28 C ATOM 2314 O ASN B 44 16.735 -6.630 -4.789 1.00 0.30 O ATOM 2315 CB ASN B 44 16.142 -9.618 -4.432 1.00 0.30 C ATOM 2316 CG ASN B 44 15.725 -11.025 -4.814 1.00 0.91 C ATOM 2317 OD1 ASN B 44 16.205 -11.576 -5.801 1.00 1.92 O ATOM 2318 ND2 ASN B 44 14.851 -11.630 -4.023 1.00 0.70 N ATOM 0 H ASN B 44 16.576 -8.739 -6.812 1.00 0.32 H new ATOM 0 HA ASN B 44 14.269 -8.751 -5.015 1.00 0.29 H new ATOM 0 HB2 ASN B 44 17.198 -9.484 -4.665 1.00 0.30 H new ATOM 0 HB3 ASN B 44 16.035 -9.494 -3.354 1.00 0.30 H new ATOM 0 HD21 ASN B 44 14.556 -12.585 -4.225 1.00 0.70 H new ATOM 0 HD22 ASN B 44 14.473 -11.141 -3.212 1.00 0.70 H new ATOM 2325 N ILE B 45 14.744 -6.640 -3.748 1.00 0.25 N ATOM 2326 CA ILE B 45 14.944 -5.347 -3.095 1.00 0.25 C ATOM 2327 C ILE B 45 16.218 -5.348 -2.239 1.00 0.24 C ATOM 2328 O ILE B 45 16.866 -4.316 -2.064 1.00 0.31 O ATOM 2329 CB ILE B 45 13.718 -4.974 -2.222 1.00 0.25 C ATOM 2330 CG1 ILE B 45 13.968 -3.673 -1.450 1.00 0.27 C ATOM 2331 CG2 ILE B 45 13.371 -6.108 -1.268 1.00 0.24 C ATOM 2332 CD1 ILE B 45 12.767 -3.183 -0.668 1.00 0.28 C ATOM 0 H ILE B 45 13.848 -7.081 -3.539 1.00 0.25 H new ATOM 0 HA ILE B 45 15.057 -4.598 -3.879 1.00 0.25 H new ATOM 0 HB ILE B 45 12.869 -4.813 -2.886 1.00 0.25 H new ATOM 0 HG12 ILE B 45 14.800 -3.824 -0.762 1.00 0.27 H new ATOM 0 HG13 ILE B 45 14.273 -2.898 -2.153 1.00 0.27 H new ATOM 0 HG21 ILE B 45 12.508 -5.825 -0.665 1.00 0.24 H new ATOM 0 HG22 ILE B 45 13.136 -7.005 -1.840 1.00 0.24 H new ATOM 0 HG23 ILE B 45 14.221 -6.307 -0.615 1.00 0.24 H new ATOM 0 HD11 ILE B 45 13.023 -2.259 -0.149 1.00 0.28 H new ATOM 0 HD12 ILE B 45 11.938 -2.998 -1.352 1.00 0.28 H new ATOM 0 HD13 ILE B 45 12.474 -3.939 0.061 1.00 0.28 H new ATOM 2344 N VAL B 46 16.594 -6.525 -1.745 1.00 0.21 N ATOM 2345 CA VAL B 46 17.780 -6.667 -0.907 1.00 0.23 C ATOM 2346 C VAL B 46 19.067 -6.392 -1.697 1.00 0.23 C ATOM 2347 O VAL B 46 20.098 -6.047 -1.118 1.00 0.29 O ATOM 2348 CB VAL B 46 17.840 -8.077 -0.268 1.00 0.26 C ATOM 2349 CG1 VAL B 46 18.271 -9.132 -1.279 1.00 1.08 C ATOM 2350 CG2 VAL B 46 18.758 -8.083 0.944 1.00 1.15 C ATOM 0 H VAL B 46 16.092 -7.397 -1.912 1.00 0.21 H new ATOM 0 HA VAL B 46 17.704 -5.924 -0.113 1.00 0.23 H new ATOM 0 HB VAL B 46 16.833 -8.331 0.063 1.00 0.26 H new ATOM 0 HG11 VAL B 46 18.302 -10.108 -0.795 1.00 1.08 H new ATOM 0 HG12 VAL B 46 17.559 -9.158 -2.104 1.00 1.08 H new ATOM 0 HG13 VAL B 46 19.261 -8.886 -1.662 1.00 1.08 H new ATOM 0 HG21 VAL B 46 18.784 -9.084 1.376 1.00 1.15 H new ATOM 0 HG22 VAL B 46 19.764 -7.793 0.640 1.00 1.15 H new ATOM 0 HG23 VAL B 46 18.385 -7.377 1.686 1.00 1.15 H new ATOM 2360 N GLU B 47 18.991 -6.513 -3.022 1.00 0.23 N ATOM 2361 CA GLU B 47 20.147 -6.281 -3.887 1.00 0.27 C ATOM 2362 C GLU B 47 20.489 -4.796 -3.946 1.00 0.25 C ATOM 2363 O GLU B 47 21.642 -4.413 -4.154 1.00 0.35 O ATOM 2364 CB GLU B 47 19.872 -6.800 -5.302 1.00 0.34 C ATOM 2365 CG GLU B 47 19.648 -8.300 -5.373 1.00 0.42 C ATOM 2366 CD GLU B 47 19.357 -8.774 -6.782 1.00 1.07 C ATOM 2367 OE1 GLU B 47 20.253 -8.664 -7.649 1.00 1.06 O ATOM 2368 OE2 GLU B 47 18.236 -9.264 -7.035 1.00 1.96 O ATOM 0 H GLU B 47 18.139 -6.771 -3.520 1.00 0.23 H new ATOM 0 HA GLU B 47 20.994 -6.822 -3.466 1.00 0.27 H new ATOM 0 HB2 GLU B 47 18.994 -6.292 -5.701 1.00 0.34 H new ATOM 0 HB3 GLU B 47 20.712 -6.537 -5.945 1.00 0.34 H new ATOM 0 HG2 GLU B 47 20.531 -8.815 -4.994 1.00 0.42 H new ATOM 0 HG3 GLU B 47 18.817 -8.572 -4.722 1.00 0.42 H new ATOM 2375 N PHE B 48 19.480 -3.963 -3.750 1.00 0.22 N ATOM 2376 CA PHE B 48 19.658 -2.519 -3.784 1.00 0.26 C ATOM 2377 C PHE B 48 19.700 -1.967 -2.368 1.00 0.26 C ATOM 2378 O PHE B 48 19.597 -0.761 -2.149 1.00 0.33 O ATOM 2379 CB PHE B 48 18.525 -1.861 -4.575 1.00 0.32 C ATOM 2380 CG PHE B 48 18.296 -2.483 -5.924 1.00 0.35 C ATOM 2381 CD1 PHE B 48 19.009 -2.053 -7.031 1.00 0.40 C ATOM 2382 CD2 PHE B 48 17.365 -3.497 -6.082 1.00 0.39 C ATOM 2383 CE1 PHE B 48 18.799 -2.623 -8.272 1.00 0.45 C ATOM 2384 CE2 PHE B 48 17.151 -4.072 -7.319 1.00 0.45 C ATOM 2385 CZ PHE B 48 17.869 -3.633 -8.416 1.00 0.46 C ATOM 0 H PHE B 48 18.523 -4.264 -3.565 1.00 0.22 H new ATOM 0 HA PHE B 48 20.602 -2.294 -4.279 1.00 0.26 H new ATOM 0 HB2 PHE B 48 17.604 -1.922 -3.995 1.00 0.32 H new ATOM 0 HB3 PHE B 48 18.750 -0.803 -4.705 1.00 0.32 H new ATOM 0 HD1 PHE B 48 19.737 -1.263 -6.923 1.00 0.40 H new ATOM 0 HD2 PHE B 48 16.800 -3.841 -5.228 1.00 0.39 H new ATOM 0 HE1 PHE B 48 19.361 -2.279 -9.128 1.00 0.45 H new ATOM 0 HE2 PHE B 48 16.424 -4.863 -7.429 1.00 0.45 H new ATOM 0 HZ PHE B 48 17.702 -4.080 -9.385 1.00 0.46 H new ATOM 2395 N CYS B 49 19.858 -2.863 -1.411 1.00 0.23 N ATOM 2396 CA CYS B 49 19.913 -2.485 -0.013 1.00 0.28 C ATOM 2397 C CYS B 49 21.349 -2.518 0.489 1.00 0.30 C ATOM 2398 O CYS B 49 22.175 -3.287 -0.013 1.00 0.38 O ATOM 2399 CB CYS B 49 19.040 -3.426 0.820 1.00 0.31 C ATOM 2400 SG CYS B 49 19.090 -3.112 2.601 1.00 1.17 S ATOM 0 H CYS B 49 19.951 -3.865 -1.580 1.00 0.23 H new ATOM 0 HA CYS B 49 19.533 -1.468 0.089 1.00 0.28 H new ATOM 0 HB2 CYS B 49 18.008 -3.343 0.478 1.00 0.31 H new ATOM 0 HB3 CYS B 49 19.355 -4.453 0.636 1.00 0.31 H new ATOM 0 HG CYS B 49 18.370 -2.065 2.877 1.00 1.17 H new ATOM 2406 N HIS B 50 21.640 -1.655 1.455 1.00 0.32 N ATOM 2407 CA HIS B 50 22.963 -1.570 2.064 1.00 0.38 C ATOM 2408 C HIS B 50 23.344 -2.933 2.633 1.00 0.32 C ATOM 2409 O HIS B 50 22.569 -3.505 3.386 1.00 0.31 O ATOM 2410 CB HIS B 50 22.929 -0.520 3.179 1.00 0.54 C ATOM 2411 CG HIS B 50 24.261 0.041 3.577 1.00 0.41 C ATOM 2412 ND1 HIS B 50 24.605 0.277 4.889 1.00 1.06 N ATOM 2413 CD2 HIS B 50 25.312 0.461 2.834 1.00 1.18 C ATOM 2414 CE1 HIS B 50 25.807 0.820 4.937 1.00 0.87 C ATOM 2415 NE2 HIS B 50 26.256 0.942 3.703 1.00 1.08 N ATOM 0 H HIS B 50 20.965 -0.994 1.839 1.00 0.32 H new ATOM 0 HA HIS B 50 23.704 -1.280 1.319 1.00 0.38 H new ATOM 0 HB2 HIS B 50 22.288 0.302 2.861 1.00 0.54 H new ATOM 0 HB3 HIS B 50 22.464 -0.964 4.059 1.00 0.54 H new ATOM 0 HD1 HIS B 50 24.021 0.065 5.698 1.00 1.06 H new ATOM 0 HD2 HIS B 50 25.391 0.424 1.758 1.00 1.18 H new ATOM 0 HE1 HIS B 50 26.333 1.114 5.833 1.00 0.87 H new ATOM 2424 N PRO B 51 24.519 -3.475 2.264 1.00 0.35 N ATOM 2425 CA PRO B 51 24.988 -4.788 2.733 1.00 0.38 C ATOM 2426 C PRO B 51 24.755 -5.030 4.230 1.00 0.36 C ATOM 2427 O PRO B 51 24.220 -6.069 4.620 1.00 0.46 O ATOM 2428 CB PRO B 51 26.493 -4.779 2.416 1.00 0.47 C ATOM 2429 CG PRO B 51 26.791 -3.439 1.816 1.00 0.72 C ATOM 2430 CD PRO B 51 25.485 -2.874 1.341 1.00 0.44 C ATOM 0 HA PRO B 51 24.437 -5.591 2.244 1.00 0.38 H new ATOM 0 HB2 PRO B 51 27.081 -4.939 3.320 1.00 0.47 H new ATOM 0 HB3 PRO B 51 26.749 -5.580 1.723 1.00 0.47 H new ATOM 0 HG2 PRO B 51 27.252 -2.780 2.552 1.00 0.72 H new ATOM 0 HG3 PRO B 51 27.494 -3.534 0.989 1.00 0.72 H new ATOM 0 HD2 PRO B 51 25.472 -1.785 1.393 1.00 0.44 H new ATOM 0 HD3 PRO B 51 25.279 -3.146 0.306 1.00 0.44 H new ATOM 2438 N GLU B 52 25.149 -4.076 5.059 1.00 0.37 N ATOM 2439 CA GLU B 52 24.976 -4.193 6.504 1.00 0.38 C ATOM 2440 C GLU B 52 23.497 -4.189 6.884 1.00 0.37 C ATOM 2441 O GLU B 52 23.070 -4.906 7.789 1.00 0.40 O ATOM 2442 CB GLU B 52 25.695 -3.045 7.221 1.00 0.45 C ATOM 2443 CG GLU B 52 27.191 -2.985 6.948 1.00 0.78 C ATOM 2444 CD GLU B 52 27.544 -2.052 5.808 1.00 1.36 C ATOM 2445 OE1 GLU B 52 26.967 -2.194 4.711 1.00 2.04 O ATOM 2446 OE2 GLU B 52 28.406 -1.177 5.998 1.00 1.70 O ATOM 0 H GLU B 52 25.592 -3.208 4.758 1.00 0.37 H new ATOM 0 HA GLU B 52 25.411 -5.143 6.816 1.00 0.38 H new ATOM 0 HB2 GLU B 52 25.243 -2.101 6.918 1.00 0.45 H new ATOM 0 HB3 GLU B 52 25.536 -3.144 8.295 1.00 0.45 H new ATOM 0 HG2 GLU B 52 27.707 -2.659 7.851 1.00 0.78 H new ATOM 0 HG3 GLU B 52 27.554 -3.987 6.717 1.00 0.78 H new ATOM 2453 N ASP B 53 22.715 -3.401 6.164 1.00 0.36 N ATOM 2454 CA ASP B 53 21.287 -3.274 6.433 1.00 0.37 C ATOM 2455 C ASP B 53 20.486 -4.379 5.748 1.00 0.38 C ATOM 2456 O ASP B 53 19.278 -4.495 5.952 1.00 0.42 O ATOM 2457 CB ASP B 53 20.783 -1.905 5.964 1.00 0.47 C ATOM 2458 CG ASP B 53 21.468 -0.746 6.668 1.00 0.48 C ATOM 2459 OD1 ASP B 53 22.699 -0.586 6.508 1.00 1.09 O ATOM 2460 OD2 ASP B 53 20.779 0.025 7.366 1.00 1.10 O ATOM 0 H ASP B 53 23.046 -2.835 5.383 1.00 0.36 H new ATOM 0 HA ASP B 53 21.143 -3.369 7.509 1.00 0.37 H new ATOM 0 HB2 ASP B 53 20.941 -1.815 4.889 1.00 0.47 H new ATOM 0 HB3 ASP B 53 19.708 -1.842 6.134 1.00 0.47 H new ATOM 2465 N GLN B 54 21.165 -5.191 4.940 1.00 0.41 N ATOM 2466 CA GLN B 54 20.516 -6.284 4.215 1.00 0.47 C ATOM 2467 C GLN B 54 19.870 -7.273 5.175 1.00 0.50 C ATOM 2468 O GLN B 54 18.715 -7.663 4.992 1.00 0.53 O ATOM 2469 CB GLN B 54 21.519 -7.005 3.312 1.00 0.56 C ATOM 2470 CG GLN B 54 21.738 -6.318 1.975 1.00 0.65 C ATOM 2471 CD GLN B 54 22.767 -7.027 1.113 1.00 0.69 C ATOM 2472 OE1 GLN B 54 23.727 -7.608 1.621 1.00 1.10 O ATOM 2473 NE2 GLN B 54 22.569 -6.992 -0.196 1.00 0.80 N ATOM 0 H GLN B 54 22.168 -5.113 4.770 1.00 0.41 H new ATOM 0 HA GLN B 54 19.733 -5.850 3.593 1.00 0.47 H new ATOM 0 HB2 GLN B 54 22.474 -7.081 3.832 1.00 0.56 H new ATOM 0 HB3 GLN B 54 21.170 -8.022 3.135 1.00 0.56 H new ATOM 0 HG2 GLN B 54 20.791 -6.269 1.437 1.00 0.65 H new ATOM 0 HG3 GLN B 54 22.060 -5.291 2.147 1.00 0.65 H new ATOM 0 HE21 GLN B 54 21.761 -6.500 -0.577 1.00 0.80 H new ATOM 0 HE22 GLN B 54 23.225 -7.457 -0.824 1.00 0.80 H new ATOM 2482 N GLN B 55 20.608 -7.664 6.208 1.00 0.54 N ATOM 2483 CA GLN B 55 20.090 -8.599 7.197 1.00 0.61 C ATOM 2484 C GLN B 55 18.886 -7.989 7.905 1.00 0.52 C ATOM 2485 O GLN B 55 17.900 -8.671 8.177 1.00 0.52 O ATOM 2486 CB GLN B 55 21.174 -8.964 8.211 1.00 0.76 C ATOM 2487 CG GLN B 55 20.722 -9.983 9.247 1.00 1.33 C ATOM 2488 CD GLN B 55 20.278 -11.294 8.625 1.00 1.73 C ATOM 2489 OE1 GLN B 55 20.791 -11.709 7.587 1.00 2.72 O ATOM 2490 NE2 GLN B 55 19.320 -11.952 9.254 1.00 1.51 N ATOM 0 H GLN B 55 21.563 -7.349 6.381 1.00 0.54 H new ATOM 0 HA GLN B 55 19.778 -9.511 6.688 1.00 0.61 H new ATOM 0 HB2 GLN B 55 22.039 -9.359 7.679 1.00 0.76 H new ATOM 0 HB3 GLN B 55 21.501 -8.059 8.723 1.00 0.76 H new ATOM 0 HG2 GLN B 55 21.539 -10.174 9.943 1.00 1.33 H new ATOM 0 HG3 GLN B 55 19.900 -9.564 9.828 1.00 1.33 H new ATOM 0 HE21 GLN B 55 18.920 -11.574 10.113 1.00 1.51 H new ATOM 0 HE22 GLN B 55 18.980 -12.838 8.881 1.00 1.51 H new ATOM 2499 N LEU B 56 18.972 -6.690 8.169 1.00 0.51 N ATOM 2500 CA LEU B 56 17.901 -5.961 8.832 1.00 0.51 C ATOM 2501 C LEU B 56 16.637 -5.974 7.975 1.00 0.42 C ATOM 2502 O LEU B 56 15.526 -6.114 8.488 1.00 0.42 O ATOM 2503 CB LEU B 56 18.341 -4.519 9.099 1.00 0.60 C ATOM 2504 CG LEU B 56 17.258 -3.597 9.662 1.00 0.63 C ATOM 2505 CD1 LEU B 56 17.010 -3.900 11.131 1.00 1.29 C ATOM 2506 CD2 LEU B 56 17.649 -2.140 9.467 1.00 1.42 C ATOM 0 H LEU B 56 19.781 -6.117 7.931 1.00 0.51 H new ATOM 0 HA LEU B 56 17.680 -6.448 9.782 1.00 0.51 H new ATOM 0 HB2 LEU B 56 19.179 -4.536 9.796 1.00 0.60 H new ATOM 0 HB3 LEU B 56 18.710 -4.091 8.167 1.00 0.60 H new ATOM 0 HG LEU B 56 16.331 -3.777 9.118 1.00 0.63 H new ATOM 0 HD11 LEU B 56 16.237 -3.234 11.514 1.00 1.29 H new ATOM 0 HD12 LEU B 56 16.685 -4.935 11.239 1.00 1.29 H new ATOM 0 HD13 LEU B 56 17.931 -3.749 11.694 1.00 1.29 H new ATOM 0 HD21 LEU B 56 16.868 -1.496 9.873 1.00 1.42 H new ATOM 0 HD22 LEU B 56 18.588 -1.943 9.985 1.00 1.42 H new ATOM 0 HD23 LEU B 56 17.772 -1.935 8.403 1.00 1.42 H new ATOM 2518 N LEU B 57 16.819 -5.834 6.666 1.00 0.40 N ATOM 2519 CA LEU B 57 15.702 -5.834 5.732 1.00 0.39 C ATOM 2520 C LEU B 57 14.991 -7.180 5.735 1.00 0.37 C ATOM 2521 O LEU B 57 13.775 -7.246 5.924 1.00 0.39 O ATOM 2522 CB LEU B 57 16.178 -5.510 4.312 1.00 0.48 C ATOM 2523 CG LEU B 57 15.631 -4.210 3.719 1.00 0.60 C ATOM 2524 CD1 LEU B 57 15.677 -4.259 2.201 1.00 1.01 C ATOM 2525 CD2 LEU B 57 14.211 -3.953 4.206 1.00 1.15 C ATOM 0 H LEU B 57 17.733 -5.719 6.228 1.00 0.40 H new ATOM 0 HA LEU B 57 15.003 -5.064 6.056 1.00 0.39 H new ATOM 0 HB2 LEU B 57 17.267 -5.459 4.314 1.00 0.48 H new ATOM 0 HB3 LEU B 57 15.899 -6.335 3.656 1.00 0.48 H new ATOM 0 HG LEU B 57 16.260 -3.386 4.056 1.00 0.60 H new ATOM 0 HD11 LEU B 57 15.284 -3.327 1.795 1.00 1.01 H new ATOM 0 HD12 LEU B 57 16.708 -4.392 1.872 1.00 1.01 H new ATOM 0 HD13 LEU B 57 15.072 -5.093 1.845 1.00 1.01 H new ATOM 0 HD21 LEU B 57 13.840 -3.024 3.773 1.00 1.15 H new ATOM 0 HD22 LEU B 57 13.567 -4.778 3.901 1.00 1.15 H new ATOM 0 HD23 LEU B 57 14.208 -3.873 5.293 1.00 1.15 H new ATOM 2537 N ARG B 58 15.755 -8.251 5.540 1.00 0.42 N ATOM 2538 CA ARG B 58 15.191 -9.596 5.510 1.00 0.50 C ATOM 2539 C ARG B 58 14.529 -9.928 6.845 1.00 0.44 C ATOM 2540 O ARG B 58 13.476 -10.565 6.885 1.00 0.44 O ATOM 2541 CB ARG B 58 16.274 -10.625 5.178 1.00 0.65 C ATOM 2542 CG ARG B 58 15.723 -11.991 4.802 1.00 1.08 C ATOM 2543 CD ARG B 58 16.779 -12.849 4.127 1.00 1.12 C ATOM 2544 NE ARG B 58 16.276 -14.186 3.815 1.00 1.90 N ATOM 2545 CZ ARG B 58 16.836 -15.314 4.246 1.00 2.21 C ATOM 2546 NH1 ARG B 58 17.952 -15.277 4.960 1.00 1.97 N ATOM 2547 NH2 ARG B 58 16.291 -16.481 3.938 1.00 3.01 N ATOM 0 H ARG B 58 16.765 -8.213 5.401 1.00 0.42 H new ATOM 0 HA ARG B 58 14.431 -9.633 4.730 1.00 0.50 H new ATOM 0 HB2 ARG B 58 16.881 -10.248 4.354 1.00 0.65 H new ATOM 0 HB3 ARG B 58 16.935 -10.734 6.037 1.00 0.65 H new ATOM 0 HG2 ARG B 58 15.359 -12.497 5.696 1.00 1.08 H new ATOM 0 HG3 ARG B 58 14.870 -11.870 4.135 1.00 1.08 H new ATOM 0 HD2 ARG B 58 17.110 -12.362 3.210 1.00 1.12 H new ATOM 0 HD3 ARG B 58 17.650 -12.931 4.777 1.00 1.12 H new ATOM 0 HE ARG B 58 15.443 -14.259 3.230 1.00 1.90 H new ATOM 0 HH11 ARG B 58 18.386 -14.381 5.182 1.00 1.97 H new ATOM 0 HH12 ARG B 58 18.377 -16.145 5.288 1.00 1.97 H new ATOM 0 HH21 ARG B 58 15.444 -16.514 3.371 1.00 3.01 H new ATOM 0 HH22 ARG B 58 16.719 -17.346 4.267 1.00 3.01 H new ATOM 2561 N ASP B 59 15.150 -9.479 7.931 1.00 0.42 N ATOM 2562 CA ASP B 59 14.621 -9.707 9.271 1.00 0.43 C ATOM 2563 C ASP B 59 13.250 -9.057 9.416 1.00 0.37 C ATOM 2564 O ASP B 59 12.303 -9.671 9.906 1.00 0.39 O ATOM 2565 CB ASP B 59 15.581 -9.138 10.321 1.00 0.49 C ATOM 2566 CG ASP B 59 14.986 -9.121 11.714 1.00 0.58 C ATOM 2567 OD1 ASP B 59 14.981 -10.178 12.374 1.00 0.76 O ATOM 2568 OD2 ASP B 59 14.543 -8.041 12.162 1.00 0.78 O ATOM 0 H ASP B 59 16.024 -8.953 7.909 1.00 0.42 H new ATOM 0 HA ASP B 59 14.520 -10.781 9.427 1.00 0.43 H new ATOM 0 HB2 ASP B 59 16.496 -9.731 10.329 1.00 0.49 H new ATOM 0 HB3 ASP B 59 15.861 -8.123 10.038 1.00 0.49 H new ATOM 2573 N SER B 60 13.149 -7.814 8.962 1.00 0.33 N ATOM 2574 CA SER B 60 11.901 -7.071 9.034 1.00 0.33 C ATOM 2575 C SER B 60 10.848 -7.685 8.114 1.00 0.28 C ATOM 2576 O SER B 60 9.664 -7.722 8.451 1.00 0.29 O ATOM 2577 CB SER B 60 12.143 -5.608 8.667 1.00 0.39 C ATOM 2578 OG SER B 60 13.224 -5.073 9.416 1.00 1.41 O ATOM 0 H SER B 60 13.921 -7.299 8.539 1.00 0.33 H new ATOM 0 HA SER B 60 11.526 -7.122 10.056 1.00 0.33 H new ATOM 0 HB2 SER B 60 12.357 -5.526 7.601 1.00 0.39 H new ATOM 0 HB3 SER B 60 11.241 -5.027 8.856 1.00 0.39 H new ATOM 0 HG SER B 60 14.071 -5.306 8.981 1.00 1.41 H new ATOM 2584 N PHE B 61 11.287 -8.173 6.955 1.00 0.30 N ATOM 2585 CA PHE B 61 10.383 -8.797 5.995 1.00 0.32 C ATOM 2586 C PHE B 61 9.733 -10.027 6.607 1.00 0.33 C ATOM 2587 O PHE B 61 8.522 -10.207 6.524 1.00 0.34 O ATOM 2588 CB PHE B 61 11.122 -9.188 4.711 1.00 0.39 C ATOM 2589 CG PHE B 61 11.451 -8.025 3.819 1.00 0.43 C ATOM 2590 CD1 PHE B 61 10.771 -6.822 3.939 1.00 0.62 C ATOM 2591 CD2 PHE B 61 12.444 -8.135 2.860 1.00 0.59 C ATOM 2592 CE1 PHE B 61 11.077 -5.754 3.119 1.00 0.70 C ATOM 2593 CE2 PHE B 61 12.754 -7.070 2.039 1.00 0.65 C ATOM 2594 CZ PHE B 61 12.069 -5.879 2.168 1.00 0.60 C ATOM 0 H PHE B 61 12.263 -8.148 6.660 1.00 0.30 H new ATOM 0 HA PHE B 61 9.612 -8.069 5.740 1.00 0.32 H new ATOM 0 HB2 PHE B 61 12.046 -9.702 4.977 1.00 0.39 H new ATOM 0 HB3 PHE B 61 10.511 -9.899 4.154 1.00 0.39 H new ATOM 0 HD1 PHE B 61 9.994 -6.720 4.682 1.00 0.62 H new ATOM 0 HD2 PHE B 61 12.982 -9.065 2.753 1.00 0.59 H new ATOM 0 HE1 PHE B 61 10.541 -4.822 3.222 1.00 0.70 H new ATOM 0 HE2 PHE B 61 13.532 -7.169 1.296 1.00 0.65 H new ATOM 0 HZ PHE B 61 12.309 -5.045 1.525 1.00 0.60 H new ATOM 2604 N GLN B 62 10.542 -10.863 7.237 1.00 0.35 N ATOM 2605 CA GLN B 62 10.033 -12.068 7.871 1.00 0.41 C ATOM 2606 C GLN B 62 9.146 -11.712 9.056 1.00 0.37 C ATOM 2607 O GLN B 62 8.154 -12.388 9.329 1.00 0.40 O ATOM 2608 CB GLN B 62 11.186 -12.961 8.324 1.00 0.52 C ATOM 2609 CG GLN B 62 11.933 -13.614 7.173 1.00 0.79 C ATOM 2610 CD GLN B 62 11.007 -14.338 6.213 1.00 1.44 C ATOM 2611 OE1 GLN B 62 10.604 -13.793 5.186 1.00 2.08 O ATOM 2612 NE2 GLN B 62 10.655 -15.568 6.547 1.00 2.12 N ATOM 0 H GLN B 62 11.550 -10.730 7.323 1.00 0.35 H new ATOM 0 HA GLN B 62 9.436 -12.614 7.141 1.00 0.41 H new ATOM 0 HB2 GLN B 62 11.886 -12.367 8.911 1.00 0.52 H new ATOM 0 HB3 GLN B 62 10.797 -13.738 8.982 1.00 0.52 H new ATOM 0 HG2 GLN B 62 12.492 -12.853 6.629 1.00 0.79 H new ATOM 0 HG3 GLN B 62 12.662 -14.320 7.571 1.00 0.79 H new ATOM 0 HE21 GLN B 62 11.011 -15.985 7.407 1.00 2.12 H new ATOM 0 HE22 GLN B 62 10.027 -16.100 5.944 1.00 2.12 H new ATOM 2621 N GLN B 63 9.502 -10.634 9.746 1.00 0.34 N ATOM 2622 CA GLN B 63 8.747 -10.175 10.903 1.00 0.36 C ATOM 2623 C GLN B 63 7.344 -9.730 10.511 1.00 0.29 C ATOM 2624 O GLN B 63 6.366 -10.115 11.151 1.00 0.32 O ATOM 2625 CB GLN B 63 9.474 -9.026 11.595 1.00 0.44 C ATOM 2626 CG GLN B 63 10.284 -9.460 12.802 1.00 0.66 C ATOM 2627 CD GLN B 63 10.755 -8.286 13.630 1.00 0.76 C ATOM 2628 OE1 GLN B 63 10.029 -7.791 14.494 1.00 1.33 O ATOM 2629 NE2 GLN B 63 11.970 -7.833 13.379 1.00 1.23 N ATOM 0 H GLN B 63 10.314 -10.059 9.521 1.00 0.34 H new ATOM 0 HA GLN B 63 8.662 -11.015 11.592 1.00 0.36 H new ATOM 0 HB2 GLN B 63 10.137 -8.542 10.878 1.00 0.44 H new ATOM 0 HB3 GLN B 63 8.743 -8.280 11.907 1.00 0.44 H new ATOM 0 HG2 GLN B 63 9.680 -10.121 13.424 1.00 0.66 H new ATOM 0 HG3 GLN B 63 11.147 -10.036 12.469 1.00 0.66 H new ATOM 0 HE21 GLN B 63 12.538 -8.272 12.655 1.00 1.23 H new ATOM 0 HE22 GLN B 63 12.340 -7.044 13.910 1.00 1.23 H new ATOM 2638 N VAL B 64 7.241 -8.929 9.453 1.00 0.26 N ATOM 2639 CA VAL B 64 5.943 -8.440 9.000 1.00 0.26 C ATOM 2640 C VAL B 64 5.053 -9.597 8.540 1.00 0.26 C ATOM 2641 O VAL B 64 3.824 -9.521 8.628 1.00 0.28 O ATOM 2642 CB VAL B 64 6.076 -7.376 7.880 1.00 0.28 C ATOM 2643 CG1 VAL B 64 6.444 -8.001 6.544 1.00 0.31 C ATOM 2644 CG2 VAL B 64 4.793 -6.571 7.756 1.00 0.30 C ATOM 0 H VAL B 64 8.034 -8.607 8.898 1.00 0.26 H new ATOM 0 HA VAL B 64 5.471 -7.955 9.854 1.00 0.26 H new ATOM 0 HB VAL B 64 6.888 -6.706 8.161 1.00 0.28 H new ATOM 0 HG11 VAL B 64 6.527 -7.220 5.788 1.00 0.31 H new ATOM 0 HG12 VAL B 64 7.398 -8.520 6.636 1.00 0.31 H new ATOM 0 HG13 VAL B 64 5.671 -8.711 6.249 1.00 0.31 H new ATOM 0 HG21 VAL B 64 4.904 -5.829 6.965 1.00 0.30 H new ATOM 0 HG22 VAL B 64 3.966 -7.239 7.513 1.00 0.30 H new ATOM 0 HG23 VAL B 64 4.587 -6.067 8.700 1.00 0.30 H new ATOM 2654 N VAL B 65 5.677 -10.674 8.071 1.00 0.29 N ATOM 2655 CA VAL B 65 4.943 -11.851 7.627 1.00 0.33 C ATOM 2656 C VAL B 65 4.327 -12.562 8.830 1.00 0.37 C ATOM 2657 O VAL B 65 3.230 -13.111 8.749 1.00 0.45 O ATOM 2658 CB VAL B 65 5.855 -12.832 6.851 1.00 0.40 C ATOM 2659 CG1 VAL B 65 5.136 -14.144 6.569 1.00 0.48 C ATOM 2660 CG2 VAL B 65 6.334 -12.203 5.551 1.00 0.39 C ATOM 0 H VAL B 65 6.691 -10.754 7.989 1.00 0.29 H new ATOM 0 HA VAL B 65 4.155 -11.518 6.951 1.00 0.33 H new ATOM 0 HB VAL B 65 6.722 -13.047 7.476 1.00 0.40 H new ATOM 0 HG11 VAL B 65 5.801 -14.813 6.023 1.00 0.48 H new ATOM 0 HG12 VAL B 65 4.846 -14.610 7.511 1.00 0.48 H new ATOM 0 HG13 VAL B 65 4.246 -13.950 5.971 1.00 0.48 H new ATOM 0 HG21 VAL B 65 6.974 -12.908 5.020 1.00 0.39 H new ATOM 0 HG22 VAL B 65 5.474 -11.953 4.929 1.00 0.39 H new ATOM 0 HG23 VAL B 65 6.898 -11.296 5.771 1.00 0.39 H new ATOM 2670 N LYS B 66 5.037 -12.526 9.950 1.00 0.37 N ATOM 2671 CA LYS B 66 4.569 -13.155 11.178 1.00 0.45 C ATOM 2672 C LYS B 66 3.473 -12.312 11.826 1.00 0.41 C ATOM 2673 O LYS B 66 2.598 -12.837 12.516 1.00 0.49 O ATOM 2674 CB LYS B 66 5.731 -13.349 12.154 1.00 0.57 C ATOM 2675 CG LYS B 66 6.867 -14.185 11.585 1.00 0.74 C ATOM 2676 CD LYS B 66 8.087 -14.178 12.494 1.00 0.67 C ATOM 2677 CE LYS B 66 7.898 -15.089 13.694 1.00 1.44 C ATOM 2678 NZ LYS B 66 9.098 -15.103 14.570 1.00 2.19 N ATOM 0 H LYS B 66 5.943 -12.066 10.033 1.00 0.37 H new ATOM 0 HA LYS B 66 4.155 -14.132 10.928 1.00 0.45 H new ATOM 0 HB2 LYS B 66 6.119 -12.372 12.444 1.00 0.57 H new ATOM 0 HB3 LYS B 66 5.358 -13.826 13.061 1.00 0.57 H new ATOM 0 HG2 LYS B 66 6.527 -15.211 11.442 1.00 0.74 H new ATOM 0 HG3 LYS B 66 7.144 -13.801 10.603 1.00 0.74 H new ATOM 0 HD2 LYS B 66 8.963 -14.497 11.930 1.00 0.67 H new ATOM 0 HD3 LYS B 66 8.280 -13.161 12.836 1.00 0.67 H new ATOM 0 HE2 LYS B 66 7.032 -14.759 14.268 1.00 1.44 H new ATOM 0 HE3 LYS B 66 7.686 -16.102 13.352 1.00 1.44 H new ATOM 0 HZ1 LYS B 66 8.931 -15.736 15.378 1.00 2.19 H new ATOM 0 HZ2 LYS B 66 9.919 -15.442 14.029 1.00 2.19 H new ATOM 0 HZ3 LYS B 66 9.286 -14.141 14.917 1.00 2.19 H new ATOM 2692 N LEU B 67 3.532 -11.003 11.602 1.00 0.39 N ATOM 2693 CA LEU B 67 2.543 -10.083 12.151 1.00 0.43 C ATOM 2694 C LEU B 67 1.190 -10.302 11.482 1.00 0.62 C ATOM 2695 O LEU B 67 0.185 -10.524 12.158 1.00 1.30 O ATOM 2696 CB LEU B 67 2.995 -8.631 11.959 1.00 0.59 C ATOM 2697 CG LEU B 67 4.325 -8.261 12.624 1.00 0.54 C ATOM 2698 CD1 LEU B 67 4.758 -6.865 12.201 1.00 0.74 C ATOM 2699 CD2 LEU B 67 4.214 -8.352 14.141 1.00 0.79 C ATOM 0 H LEU B 67 4.257 -10.555 11.042 1.00 0.39 H new ATOM 0 HA LEU B 67 2.445 -10.279 13.219 1.00 0.43 H new ATOM 0 HB2 LEU B 67 3.075 -8.432 10.890 1.00 0.59 H new ATOM 0 HB3 LEU B 67 2.219 -7.973 12.348 1.00 0.59 H new ATOM 0 HG LEU B 67 5.083 -8.973 12.297 1.00 0.54 H new ATOM 0 HD11 LEU B 67 5.704 -6.616 12.681 1.00 0.74 H new ATOM 0 HD12 LEU B 67 4.882 -6.835 11.118 1.00 0.74 H new ATOM 0 HD13 LEU B 67 3.999 -6.142 12.500 1.00 0.74 H new ATOM 0 HD21 LEU B 67 5.170 -8.085 14.592 1.00 0.79 H new ATOM 0 HD22 LEU B 67 3.443 -7.666 14.491 1.00 0.79 H new ATOM 0 HD23 LEU B 67 3.950 -9.370 14.426 1.00 0.79 H new ATOM 2711 N LYS B 68 1.190 -10.245 10.148 1.00 0.48 N ATOM 2712 CA LYS B 68 -0.015 -10.442 9.337 1.00 0.55 C ATOM 2713 C LYS B 68 -1.077 -9.374 9.598 1.00 0.47 C ATOM 2714 O LYS B 68 -1.859 -9.462 10.550 1.00 0.50 O ATOM 2715 CB LYS B 68 -0.605 -11.836 9.554 1.00 0.69 C ATOM 2716 CG LYS B 68 0.027 -12.899 8.671 1.00 0.56 C ATOM 2717 CD LYS B 68 -0.437 -14.291 9.053 1.00 0.67 C ATOM 2718 CE LYS B 68 0.245 -15.354 8.211 1.00 0.69 C ATOM 2719 NZ LYS B 68 -0.017 -16.716 8.737 1.00 1.04 N ATOM 0 H LYS B 68 2.029 -10.060 9.598 1.00 0.48 H new ATOM 0 HA LYS B 68 0.296 -10.348 8.296 1.00 0.55 H new ATOM 0 HB2 LYS B 68 -0.478 -12.118 10.599 1.00 0.69 H new ATOM 0 HB3 LYS B 68 -1.677 -11.803 9.361 1.00 0.69 H new ATOM 0 HG2 LYS B 68 -0.226 -12.704 7.629 1.00 0.56 H new ATOM 0 HG3 LYS B 68 1.112 -12.842 8.752 1.00 0.56 H new ATOM 0 HD2 LYS B 68 -0.226 -14.470 10.107 1.00 0.67 H new ATOM 0 HD3 LYS B 68 -1.517 -14.363 8.927 1.00 0.67 H new ATOM 0 HE2 LYS B 68 -0.108 -15.286 7.182 1.00 0.69 H new ATOM 0 HE3 LYS B 68 1.319 -15.171 8.192 1.00 0.69 H new ATOM 0 HZ1 LYS B 68 0.663 -17.385 8.322 1.00 1.04 H new ATOM 0 HZ2 LYS B 68 0.086 -16.714 9.772 1.00 1.04 H new ATOM 0 HZ3 LYS B 68 -0.984 -17.005 8.486 1.00 1.04 H new ATOM 2733 N GLY B 69 -1.102 -8.366 8.738 1.00 0.50 N ATOM 2734 CA GLY B 69 -2.077 -7.302 8.866 1.00 0.59 C ATOM 2735 C GLY B 69 -1.554 -6.128 9.661 1.00 0.54 C ATOM 2736 O GLY B 69 -2.329 -5.303 10.149 1.00 0.57 O ATOM 0 H GLY B 69 -0.461 -8.266 7.951 1.00 0.50 H new ATOM 0 HA2 GLY B 69 -2.371 -6.962 7.873 1.00 0.59 H new ATOM 0 HA3 GLY B 69 -2.974 -7.692 9.348 1.00 0.59 H new ATOM 2740 N GLN B 70 -0.241 -6.045 9.791 1.00 0.50 N ATOM 2741 CA GLN B 70 0.378 -4.959 10.528 1.00 0.46 C ATOM 2742 C GLN B 70 1.477 -4.317 9.690 1.00 0.38 C ATOM 2743 O GLN B 70 2.058 -4.964 8.816 1.00 0.37 O ATOM 2744 CB GLN B 70 0.936 -5.465 11.865 1.00 0.50 C ATOM 2745 CG GLN B 70 1.241 -4.353 12.861 1.00 1.31 C ATOM 2746 CD GLN B 70 0.129 -3.322 12.942 1.00 1.89 C ATOM 2747 OE1 GLN B 70 0.104 -2.360 12.173 1.00 2.68 O ATOM 2748 NE2 GLN B 70 -0.789 -3.503 13.875 1.00 2.32 N ATOM 0 H GLN B 70 0.416 -6.717 9.395 1.00 0.50 H new ATOM 0 HA GLN B 70 -0.378 -4.204 10.742 1.00 0.46 H new ATOM 0 HB2 GLN B 70 0.218 -6.153 12.311 1.00 0.50 H new ATOM 0 HB3 GLN B 70 1.847 -6.032 11.677 1.00 0.50 H new ATOM 0 HG2 GLN B 70 1.401 -4.788 13.848 1.00 1.31 H new ATOM 0 HG3 GLN B 70 2.170 -3.859 12.576 1.00 1.31 H new ATOM 0 HE21 GLN B 70 -0.735 -4.312 14.494 1.00 2.32 H new ATOM 0 HE22 GLN B 70 -1.552 -2.834 13.977 1.00 2.32 H new ATOM 2757 N VAL B 71 1.746 -3.048 9.957 1.00 0.36 N ATOM 2758 CA VAL B 71 2.761 -2.305 9.230 1.00 0.32 C ATOM 2759 C VAL B 71 4.049 -2.189 10.045 1.00 0.31 C ATOM 2760 O VAL B 71 4.027 -1.837 11.227 1.00 0.39 O ATOM 2761 CB VAL B 71 2.251 -0.895 8.842 1.00 0.38 C ATOM 2762 CG1 VAL B 71 1.747 -0.139 10.063 1.00 1.28 C ATOM 2763 CG2 VAL B 71 3.332 -0.100 8.123 1.00 1.35 C ATOM 0 H VAL B 71 1.270 -2.508 10.679 1.00 0.36 H new ATOM 0 HA VAL B 71 2.977 -2.859 8.317 1.00 0.32 H new ATOM 0 HB VAL B 71 1.414 -1.023 8.156 1.00 0.38 H new ATOM 0 HG11 VAL B 71 1.395 0.847 9.761 1.00 1.28 H new ATOM 0 HG12 VAL B 71 0.927 -0.692 10.521 1.00 1.28 H new ATOM 0 HG13 VAL B 71 2.558 -0.030 10.784 1.00 1.28 H new ATOM 0 HG21 VAL B 71 2.946 0.886 7.862 1.00 1.35 H new ATOM 0 HG22 VAL B 71 4.198 0.010 8.776 1.00 1.35 H new ATOM 0 HG23 VAL B 71 3.627 -0.626 7.215 1.00 1.35 H new ATOM 2773 N LEU B 72 5.164 -2.507 9.410 1.00 0.27 N ATOM 2774 CA LEU B 72 6.465 -2.432 10.052 1.00 0.29 C ATOM 2775 C LEU B 72 7.359 -1.455 9.296 1.00 0.31 C ATOM 2776 O LEU B 72 7.796 -1.734 8.177 1.00 0.44 O ATOM 2777 CB LEU B 72 7.116 -3.816 10.103 1.00 0.35 C ATOM 2778 CG LEU B 72 8.273 -3.953 11.096 1.00 0.44 C ATOM 2779 CD1 LEU B 72 7.757 -3.919 12.526 1.00 1.37 C ATOM 2780 CD2 LEU B 72 9.044 -5.238 10.838 1.00 1.05 C ATOM 0 H LEU B 72 5.193 -2.823 8.441 1.00 0.27 H new ATOM 0 HA LEU B 72 6.334 -2.076 11.074 1.00 0.29 H new ATOM 0 HB2 LEU B 72 6.352 -4.551 10.356 1.00 0.35 H new ATOM 0 HB3 LEU B 72 7.481 -4.066 9.107 1.00 0.35 H new ATOM 0 HG LEU B 72 8.949 -3.110 10.956 1.00 0.44 H new ATOM 0 HD11 LEU B 72 8.594 -4.018 13.217 1.00 1.37 H new ATOM 0 HD12 LEU B 72 7.247 -2.973 12.706 1.00 1.37 H new ATOM 0 HD13 LEU B 72 7.060 -4.742 12.681 1.00 1.37 H new ATOM 0 HD21 LEU B 72 9.863 -5.320 11.552 1.00 1.05 H new ATOM 0 HD22 LEU B 72 8.376 -6.092 10.952 1.00 1.05 H new ATOM 0 HD23 LEU B 72 9.446 -5.224 9.825 1.00 1.05 H new ATOM 2792 N SER B 73 7.614 -0.309 9.906 1.00 0.27 N ATOM 2793 CA SER B 73 8.443 0.720 9.299 1.00 0.33 C ATOM 2794 C SER B 73 9.903 0.561 9.719 1.00 0.28 C ATOM 2795 O SER B 73 10.260 0.809 10.874 1.00 0.31 O ATOM 2796 CB SER B 73 7.930 2.106 9.695 1.00 0.48 C ATOM 2797 OG SER B 73 6.539 2.233 9.438 1.00 1.38 O ATOM 0 H SER B 73 7.255 -0.067 10.829 1.00 0.27 H new ATOM 0 HA SER B 73 8.386 0.613 8.216 1.00 0.33 H new ATOM 0 HB2 SER B 73 8.124 2.279 10.753 1.00 0.48 H new ATOM 0 HB3 SER B 73 8.476 2.870 9.142 1.00 0.48 H new ATOM 0 HG SER B 73 6.238 3.128 9.702 1.00 1.38 H new ATOM 2803 N VAL B 74 10.741 0.145 8.783 1.00 0.29 N ATOM 2804 CA VAL B 74 12.157 -0.047 9.054 1.00 0.28 C ATOM 2805 C VAL B 74 12.997 0.957 8.263 1.00 0.23 C ATOM 2806 O VAL B 74 12.823 1.111 7.053 1.00 0.24 O ATOM 2807 CB VAL B 74 12.599 -1.496 8.727 1.00 0.34 C ATOM 2808 CG1 VAL B 74 12.182 -1.896 7.318 1.00 0.35 C ATOM 2809 CG2 VAL B 74 14.099 -1.662 8.911 1.00 0.41 C ATOM 0 H VAL B 74 10.464 -0.067 7.825 1.00 0.29 H new ATOM 0 HA VAL B 74 12.319 0.124 10.118 1.00 0.28 H new ATOM 0 HB VAL B 74 12.094 -2.161 9.428 1.00 0.34 H new ATOM 0 HG11 VAL B 74 12.506 -2.917 7.119 1.00 0.35 H new ATOM 0 HG12 VAL B 74 11.097 -1.836 7.229 1.00 0.35 H new ATOM 0 HG13 VAL B 74 12.643 -1.222 6.597 1.00 0.35 H new ATOM 0 HG21 VAL B 74 14.383 -2.688 8.675 1.00 0.41 H new ATOM 0 HG22 VAL B 74 14.625 -0.978 8.246 1.00 0.41 H new ATOM 0 HG23 VAL B 74 14.366 -1.440 9.944 1.00 0.41 H new ATOM 2819 N MET B 75 13.882 1.663 8.954 1.00 0.21 N ATOM 2820 CA MET B 75 14.740 2.647 8.307 1.00 0.20 C ATOM 2821 C MET B 75 16.126 2.070 8.051 1.00 0.20 C ATOM 2822 O MET B 75 16.835 1.683 8.983 1.00 0.24 O ATOM 2823 CB MET B 75 14.855 3.918 9.154 1.00 0.26 C ATOM 2824 CG MET B 75 15.742 4.983 8.526 1.00 0.29 C ATOM 2825 SD MET B 75 15.923 6.452 9.561 1.00 0.41 S ATOM 2826 CE MET B 75 16.676 5.746 11.028 1.00 0.41 C ATOM 0 H MET B 75 14.025 1.573 9.960 1.00 0.21 H new ATOM 0 HA MET B 75 14.283 2.906 7.352 1.00 0.20 H new ATOM 0 HB2 MET B 75 13.859 4.332 9.312 1.00 0.26 H new ATOM 0 HB3 MET B 75 15.252 3.657 10.135 1.00 0.26 H new ATOM 0 HG2 MET B 75 16.727 4.559 8.331 1.00 0.29 H new ATOM 0 HG3 MET B 75 15.324 5.274 7.562 1.00 0.29 H new ATOM 0 HE1 MET B 75 17.198 6.527 11.581 1.00 0.41 H new ATOM 0 HE2 MET B 75 15.903 5.309 11.660 1.00 0.41 H new ATOM 0 HE3 MET B 75 17.386 4.972 10.736 1.00 0.41 H new ATOM 2836 N PHE B 76 16.500 2.019 6.786 1.00 0.21 N ATOM 2837 CA PHE B 76 17.794 1.497 6.381 1.00 0.23 C ATOM 2838 C PHE B 76 18.354 2.340 5.242 1.00 0.22 C ATOM 2839 O PHE B 76 17.746 3.336 4.850 1.00 0.21 O ATOM 2840 CB PHE B 76 17.661 0.033 5.942 1.00 0.26 C ATOM 2841 CG PHE B 76 16.720 -0.172 4.783 1.00 0.27 C ATOM 2842 CD1 PHE B 76 15.355 -0.287 4.992 1.00 0.31 C ATOM 2843 CD2 PHE B 76 17.202 -0.242 3.486 1.00 0.31 C ATOM 2844 CE1 PHE B 76 14.491 -0.468 3.929 1.00 0.37 C ATOM 2845 CE2 PHE B 76 16.342 -0.421 2.420 1.00 0.36 C ATOM 2846 CZ PHE B 76 14.986 -0.534 2.642 1.00 0.38 C ATOM 0 H PHE B 76 15.918 2.337 6.011 1.00 0.21 H new ATOM 0 HA PHE B 76 18.478 1.544 7.228 1.00 0.23 H new ATOM 0 HB2 PHE B 76 18.646 -0.346 5.669 1.00 0.26 H new ATOM 0 HB3 PHE B 76 17.315 -0.560 6.788 1.00 0.26 H new ATOM 0 HD1 PHE B 76 14.962 -0.235 5.997 1.00 0.31 H new ATOM 0 HD2 PHE B 76 18.263 -0.156 3.306 1.00 0.31 H new ATOM 0 HE1 PHE B 76 13.429 -0.558 4.105 1.00 0.37 H new ATOM 0 HE2 PHE B 76 16.731 -0.472 1.414 1.00 0.36 H new ATOM 0 HZ PHE B 76 14.312 -0.674 1.810 1.00 0.38 H new ATOM 2856 N ARG B 77 19.506 1.953 4.716 1.00 0.25 N ATOM 2857 CA ARG B 77 20.109 2.685 3.612 1.00 0.25 C ATOM 2858 C ARG B 77 19.852 1.971 2.290 1.00 0.23 C ATOM 2859 O ARG B 77 20.330 0.858 2.064 1.00 0.26 O ATOM 2860 CB ARG B 77 21.608 2.880 3.838 1.00 0.30 C ATOM 2861 CG ARG B 77 21.961 4.277 4.322 1.00 0.48 C ATOM 2862 CD ARG B 77 23.459 4.442 4.515 1.00 0.63 C ATOM 2863 NE ARG B 77 23.909 3.944 5.813 1.00 1.50 N ATOM 2864 CZ ARG B 77 25.143 4.114 6.290 1.00 1.87 C ATOM 2865 NH1 ARG B 77 26.072 4.702 5.548 1.00 1.59 N ATOM 2866 NH2 ARG B 77 25.455 3.684 7.504 1.00 2.97 N ATOM 0 H ARG B 77 20.039 1.143 5.032 1.00 0.25 H new ATOM 0 HA ARG B 77 19.645 3.670 3.566 1.00 0.25 H new ATOM 0 HB2 ARG B 77 21.957 2.150 4.568 1.00 0.30 H new ATOM 0 HB3 ARG B 77 22.139 2.679 2.907 1.00 0.30 H new ATOM 0 HG2 ARG B 77 21.603 5.013 3.602 1.00 0.48 H new ATOM 0 HG3 ARG B 77 21.448 4.477 5.263 1.00 0.48 H new ATOM 0 HD2 ARG B 77 23.986 3.911 3.722 1.00 0.63 H new ATOM 0 HD3 ARG B 77 23.721 5.496 4.422 1.00 0.63 H new ATOM 0 HE ARG B 77 23.239 3.435 6.389 1.00 1.50 H new ATOM 0 HH11 ARG B 77 25.844 5.026 4.608 1.00 1.59 H new ATOM 0 HH12 ARG B 77 27.014 4.830 5.917 1.00 1.59 H new ATOM 0 HH21 ARG B 77 24.750 3.221 8.078 1.00 2.97 H new ATOM 0 HH22 ARG B 77 26.400 3.816 7.865 1.00 2.97 H new ATOM 2880 N PHE B 78 19.087 2.622 1.427 1.00 0.24 N ATOM 2881 CA PHE B 78 18.738 2.073 0.124 1.00 0.23 C ATOM 2882 C PHE B 78 19.591 2.727 -0.959 1.00 0.21 C ATOM 2883 O PHE B 78 19.955 3.898 -0.844 1.00 0.22 O ATOM 2884 CB PHE B 78 17.248 2.310 -0.155 1.00 0.27 C ATOM 2885 CG PHE B 78 16.669 1.435 -1.236 1.00 0.27 C ATOM 2886 CD1 PHE B 78 16.523 0.070 -1.040 1.00 0.34 C ATOM 2887 CD2 PHE B 78 16.261 1.981 -2.443 1.00 0.33 C ATOM 2888 CE1 PHE B 78 15.984 -0.733 -2.029 1.00 0.37 C ATOM 2889 CE2 PHE B 78 15.720 1.183 -3.434 1.00 0.37 C ATOM 2890 CZ PHE B 78 15.581 -0.176 -3.226 1.00 0.33 C ATOM 0 H PHE B 78 18.691 3.544 1.609 1.00 0.24 H new ATOM 0 HA PHE B 78 18.931 1.000 0.121 1.00 0.23 H new ATOM 0 HB2 PHE B 78 16.688 2.147 0.766 1.00 0.27 H new ATOM 0 HB3 PHE B 78 17.105 3.354 -0.434 1.00 0.27 H new ATOM 0 HD1 PHE B 78 16.834 -0.371 -0.104 1.00 0.34 H new ATOM 0 HD2 PHE B 78 16.367 3.043 -2.611 1.00 0.33 H new ATOM 0 HE1 PHE B 78 15.879 -1.795 -1.865 1.00 0.37 H new ATOM 0 HE2 PHE B 78 15.406 1.621 -4.370 1.00 0.37 H new ATOM 0 HZ PHE B 78 15.158 -0.801 -3.998 1.00 0.33 H new ATOM 2900 N ARG B 79 19.915 1.971 -1.997 1.00 0.25 N ATOM 2901 CA ARG B 79 20.729 2.483 -3.089 1.00 0.26 C ATOM 2902 C ARG B 79 19.857 3.098 -4.173 1.00 0.26 C ATOM 2903 O ARG B 79 18.906 2.476 -4.645 1.00 0.36 O ATOM 2904 CB ARG B 79 21.586 1.369 -3.692 1.00 0.36 C ATOM 2905 CG ARG B 79 22.916 1.860 -4.239 1.00 0.33 C ATOM 2906 CD ARG B 79 23.660 0.761 -4.979 1.00 0.56 C ATOM 2907 NE ARG B 79 23.199 0.622 -6.359 1.00 1.04 N ATOM 2908 CZ ARG B 79 23.259 -0.512 -7.056 1.00 1.28 C ATOM 2909 NH1 ARG B 79 23.772 -1.608 -6.512 1.00 1.06 N ATOM 2910 NH2 ARG B 79 22.821 -0.541 -8.307 1.00 2.22 N ATOM 0 H ARG B 79 19.626 0.999 -2.106 1.00 0.25 H new ATOM 0 HA ARG B 79 21.382 3.255 -2.682 1.00 0.26 H new ATOM 0 HB2 ARG B 79 21.772 0.611 -2.931 1.00 0.36 H new ATOM 0 HB3 ARG B 79 21.028 0.885 -4.494 1.00 0.36 H new ATOM 0 HG2 ARG B 79 22.745 2.700 -4.912 1.00 0.33 H new ATOM 0 HG3 ARG B 79 23.533 2.229 -3.419 1.00 0.33 H new ATOM 0 HD2 ARG B 79 24.728 0.979 -4.974 1.00 0.56 H new ATOM 0 HD3 ARG B 79 23.525 -0.185 -4.455 1.00 0.56 H new ATOM 0 HE ARG B 79 22.807 1.445 -6.817 1.00 1.04 H new ATOM 0 HH11 ARG B 79 24.123 -1.586 -5.555 1.00 1.06 H new ATOM 0 HH12 ARG B 79 23.815 -2.473 -7.051 1.00 1.06 H new ATOM 0 HH21 ARG B 79 22.439 0.303 -8.733 1.00 2.22 H new ATOM 0 HH22 ARG B 79 22.866 -1.408 -8.843 1.00 2.22 H new ATOM 2924 N SER B 80 20.182 4.322 -4.552 1.00 0.25 N ATOM 2925 CA SER B 80 19.450 5.023 -5.590 1.00 0.33 C ATOM 2926 C SER B 80 20.059 4.714 -6.953 1.00 0.32 C ATOM 2927 O SER B 80 20.976 3.896 -7.063 1.00 0.32 O ATOM 2928 CB SER B 80 19.502 6.531 -5.335 1.00 0.46 C ATOM 2929 OG SER B 80 20.829 7.017 -5.466 1.00 1.06 O ATOM 0 H SER B 80 20.955 4.854 -4.152 1.00 0.25 H new ATOM 0 HA SER B 80 18.412 4.691 -5.577 1.00 0.33 H new ATOM 0 HB2 SER B 80 18.849 7.047 -6.040 1.00 0.46 H new ATOM 0 HB3 SER B 80 19.127 6.749 -4.335 1.00 0.46 H new ATOM 0 HG SER B 80 20.808 7.946 -5.776 1.00 1.06 H new ATOM 2935 N LYS B 81 19.563 5.385 -7.987 1.00 0.35 N ATOM 2936 CA LYS B 81 20.080 5.205 -9.338 1.00 0.37 C ATOM 2937 C LYS B 81 21.470 5.835 -9.444 1.00 0.40 C ATOM 2938 O LYS B 81 22.185 5.655 -10.429 1.00 0.48 O ATOM 2939 CB LYS B 81 19.117 5.833 -10.355 1.00 0.41 C ATOM 2940 CG LYS B 81 19.442 5.511 -11.806 1.00 0.45 C ATOM 2941 CD LYS B 81 19.391 4.016 -12.073 1.00 0.47 C ATOM 2942 CE LYS B 81 19.848 3.692 -13.484 1.00 0.67 C ATOM 2943 NZ LYS B 81 19.934 2.228 -13.722 1.00 1.69 N ATOM 0 H LYS B 81 18.802 6.060 -7.915 1.00 0.35 H new ATOM 0 HA LYS B 81 20.163 4.141 -9.558 1.00 0.37 H new ATOM 0 HB2 LYS B 81 18.105 5.493 -10.137 1.00 0.41 H new ATOM 0 HB3 LYS B 81 19.124 6.915 -10.225 1.00 0.41 H new ATOM 0 HG2 LYS B 81 18.735 6.022 -12.460 1.00 0.45 H new ATOM 0 HG3 LYS B 81 20.434 5.891 -12.050 1.00 0.45 H new ATOM 0 HD2 LYS B 81 20.024 3.494 -11.355 1.00 0.47 H new ATOM 0 HD3 LYS B 81 18.374 3.652 -11.925 1.00 0.47 H new ATOM 0 HE2 LYS B 81 19.155 4.135 -14.200 1.00 0.67 H new ATOM 0 HE3 LYS B 81 20.823 4.146 -13.662 1.00 0.67 H new ATOM 0 HZ1 LYS B 81 20.604 2.041 -14.495 1.00 1.69 H new ATOM 0 HZ2 LYS B 81 20.263 1.754 -12.857 1.00 1.69 H new ATOM 0 HZ3 LYS B 81 18.995 1.863 -13.981 1.00 1.69 H new ATOM 2957 N ASN B 82 21.846 6.567 -8.401 1.00 0.39 N ATOM 2958 CA ASN B 82 23.144 7.225 -8.341 1.00 0.45 C ATOM 2959 C ASN B 82 24.132 6.345 -7.593 1.00 0.43 C ATOM 2960 O ASN B 82 25.278 6.732 -7.372 1.00 0.50 O ATOM 2961 CB ASN B 82 23.034 8.582 -7.633 1.00 0.53 C ATOM 2962 CG ASN B 82 21.904 9.440 -8.168 1.00 0.95 C ATOM 2963 OD1 ASN B 82 21.641 9.471 -9.370 1.00 1.75 O ATOM 2964 ND2 ASN B 82 21.217 10.134 -7.277 1.00 0.81 N ATOM 0 H ASN B 82 21.263 6.720 -7.578 1.00 0.39 H new ATOM 0 HA ASN B 82 23.494 7.389 -9.360 1.00 0.45 H new ATOM 0 HB2 ASN B 82 22.884 8.418 -6.566 1.00 0.53 H new ATOM 0 HB3 ASN B 82 23.975 9.120 -7.743 1.00 0.53 H new ATOM 0 HD21 ASN B 82 20.439 10.721 -7.578 1.00 0.81 H new ATOM 0 HD22 ASN B 82 21.465 10.083 -6.289 1.00 0.81 H new ATOM 2971 N GLN B 83 23.663 5.162 -7.192 1.00 0.37 N ATOM 2972 CA GLN B 83 24.478 4.195 -6.457 1.00 0.40 C ATOM 2973 C GLN B 83 24.843 4.719 -5.071 1.00 0.37 C ATOM 2974 O GLN B 83 25.811 4.267 -4.460 1.00 0.46 O ATOM 2975 CB GLN B 83 25.743 3.832 -7.239 1.00 0.53 C ATOM 2976 CG GLN B 83 25.572 2.637 -8.163 1.00 0.63 C ATOM 2977 CD GLN B 83 24.386 2.781 -9.096 1.00 0.90 C ATOM 2978 OE1 GLN B 83 23.287 2.309 -8.802 1.00 1.62 O ATOM 2979 NE2 GLN B 83 24.593 3.449 -10.216 1.00 0.87 N ATOM 0 H GLN B 83 22.708 4.848 -7.368 1.00 0.37 H new ATOM 0 HA GLN B 83 23.880 3.292 -6.333 1.00 0.40 H new ATOM 0 HB2 GLN B 83 26.054 4.694 -7.829 1.00 0.53 H new ATOM 0 HB3 GLN B 83 26.547 3.622 -6.534 1.00 0.53 H new ATOM 0 HG2 GLN B 83 26.479 2.507 -8.753 1.00 0.63 H new ATOM 0 HG3 GLN B 83 25.450 1.735 -7.564 1.00 0.63 H new ATOM 0 HE21 GLN B 83 25.519 3.824 -10.422 1.00 0.87 H new ATOM 0 HE22 GLN B 83 23.827 3.590 -10.875 1.00 0.87 H new ATOM 2988 N GLU B 84 24.055 5.661 -4.576 1.00 0.37 N ATOM 2989 CA GLU B 84 24.287 6.237 -3.261 1.00 0.38 C ATOM 2990 C GLU B 84 23.390 5.557 -2.236 1.00 0.31 C ATOM 2991 O GLU B 84 22.312 5.067 -2.578 1.00 0.42 O ATOM 2992 CB GLU B 84 24.017 7.745 -3.287 1.00 0.53 C ATOM 2993 CG GLU B 84 22.542 8.105 -3.189 1.00 1.22 C ATOM 2994 CD GLU B 84 22.260 9.546 -3.550 1.00 2.08 C ATOM 2995 OE1 GLU B 84 22.631 10.444 -2.766 1.00 2.45 O ATOM 2996 OE2 GLU B 84 21.650 9.788 -4.613 1.00 2.78 O ATOM 0 H GLU B 84 23.247 6.044 -5.067 1.00 0.37 H new ATOM 0 HA GLU B 84 25.329 6.078 -2.982 1.00 0.38 H new ATOM 0 HB2 GLU B 84 24.552 8.215 -2.462 1.00 0.53 H new ATOM 0 HB3 GLU B 84 24.423 8.162 -4.209 1.00 0.53 H new ATOM 0 HG2 GLU B 84 21.970 7.452 -3.848 1.00 1.22 H new ATOM 0 HG3 GLU B 84 22.194 7.916 -2.173 1.00 1.22 H new ATOM 3003 N TRP B 85 23.837 5.513 -0.993 1.00 0.32 N ATOM 3004 CA TRP B 85 23.056 4.897 0.066 1.00 0.33 C ATOM 3005 C TRP B 85 22.315 5.961 0.862 1.00 0.33 C ATOM 3006 O TRP B 85 22.895 6.618 1.727 1.00 0.45 O ATOM 3007 CB TRP B 85 23.954 4.080 0.994 1.00 0.41 C ATOM 3008 CG TRP B 85 24.794 3.068 0.282 1.00 0.42 C ATOM 3009 CD1 TRP B 85 26.133 3.144 0.035 1.00 0.66 C ATOM 3010 CD2 TRP B 85 24.354 1.830 -0.277 1.00 0.50 C ATOM 3011 NE1 TRP B 85 26.553 2.026 -0.635 1.00 0.63 N ATOM 3012 CE2 TRP B 85 25.480 1.204 -0.843 1.00 0.50 C ATOM 3013 CE3 TRP B 85 23.119 1.189 -0.357 1.00 0.84 C ATOM 3014 CZ2 TRP B 85 25.406 -0.033 -1.471 1.00 0.67 C ATOM 3015 CZ3 TRP B 85 23.047 -0.038 -0.983 1.00 1.10 C ATOM 3016 CH2 TRP B 85 24.184 -0.637 -1.535 1.00 0.97 C ATOM 0 H TRP B 85 24.734 5.895 -0.693 1.00 0.32 H new ATOM 0 HA TRP B 85 22.329 4.226 -0.392 1.00 0.33 H new ATOM 0 HB2 TRP B 85 24.606 4.759 1.543 1.00 0.41 H new ATOM 0 HB3 TRP B 85 23.332 3.570 1.730 1.00 0.41 H new ATOM 0 HD1 TRP B 85 26.770 3.967 0.326 1.00 0.66 H new ATOM 0 HE1 TRP B 85 27.511 1.837 -0.931 1.00 0.63 H new ATOM 0 HE3 TRP B 85 22.235 1.645 0.063 1.00 0.84 H new ATOM 0 HZ2 TRP B 85 26.284 -0.500 -1.893 1.00 0.67 H new ATOM 0 HZ3 TRP B 85 22.096 -0.545 -1.048 1.00 1.10 H new ATOM 0 HH2 TRP B 85 24.093 -1.597 -2.022 1.00 0.97 H new ATOM 3027 N LEU B 86 21.038 6.135 0.561 1.00 0.28 N ATOM 3028 CA LEU B 86 20.224 7.123 1.249 1.00 0.29 C ATOM 3029 C LEU B 86 19.344 6.452 2.296 1.00 0.26 C ATOM 3030 O LEU B 86 19.022 5.269 2.181 1.00 0.28 O ATOM 3031 CB LEU B 86 19.371 7.916 0.249 1.00 0.34 C ATOM 3032 CG LEU B 86 18.701 7.090 -0.853 1.00 0.42 C ATOM 3033 CD1 LEU B 86 17.317 6.633 -0.420 1.00 0.96 C ATOM 3034 CD2 LEU B 86 18.620 7.893 -2.141 1.00 1.03 C ATOM 0 H LEU B 86 20.543 5.604 -0.156 1.00 0.28 H new ATOM 0 HA LEU B 86 20.888 7.823 1.756 1.00 0.29 H new ATOM 0 HB2 LEU B 86 18.596 8.447 0.802 1.00 0.34 H new ATOM 0 HB3 LEU B 86 20.002 8.671 -0.221 1.00 0.34 H new ATOM 0 HG LEU B 86 19.309 6.204 -1.034 1.00 0.42 H new ATOM 0 HD11 LEU B 86 16.861 6.048 -1.219 1.00 0.96 H new ATOM 0 HD12 LEU B 86 17.401 6.019 0.477 1.00 0.96 H new ATOM 0 HD13 LEU B 86 16.696 7.503 -0.207 1.00 0.96 H new ATOM 0 HD21 LEU B 86 18.141 7.293 -2.915 1.00 1.03 H new ATOM 0 HD22 LEU B 86 18.036 8.797 -1.970 1.00 1.03 H new ATOM 0 HD23 LEU B 86 19.625 8.166 -2.463 1.00 1.03 H new ATOM 3046 N TRP B 87 18.960 7.203 3.314 1.00 0.28 N ATOM 3047 CA TRP B 87 18.127 6.668 4.380 1.00 0.29 C ATOM 3048 C TRP B 87 16.676 6.551 3.929 1.00 0.29 C ATOM 3049 O TRP B 87 16.036 7.538 3.560 1.00 0.39 O ATOM 3050 CB TRP B 87 18.238 7.535 5.630 1.00 0.33 C ATOM 3051 CG TRP B 87 19.559 7.393 6.319 1.00 0.38 C ATOM 3052 CD1 TRP B 87 20.688 8.119 6.080 1.00 0.47 C ATOM 3053 CD2 TRP B 87 19.892 6.460 7.351 1.00 0.40 C ATOM 3054 NE1 TRP B 87 21.700 7.701 6.906 1.00 0.53 N ATOM 3055 CE2 TRP B 87 21.238 6.679 7.693 1.00 0.48 C ATOM 3056 CE3 TRP B 87 19.183 5.459 8.016 1.00 0.43 C ATOM 3057 CZ2 TRP B 87 21.886 5.939 8.677 1.00 0.53 C ATOM 3058 CZ3 TRP B 87 19.826 4.723 8.992 1.00 0.50 C ATOM 3059 CH2 TRP B 87 21.166 4.964 9.313 1.00 0.53 C ATOM 0 H TRP B 87 19.211 8.185 3.426 1.00 0.28 H new ATOM 0 HA TRP B 87 18.484 5.667 4.624 1.00 0.29 H new ATOM 0 HB2 TRP B 87 18.086 8.579 5.357 1.00 0.33 H new ATOM 0 HB3 TRP B 87 17.441 7.268 6.324 1.00 0.33 H new ATOM 0 HD1 TRP B 87 20.773 8.908 5.347 1.00 0.47 H new ATOM 0 HE1 TRP B 87 22.643 8.088 6.930 1.00 0.53 H new ATOM 0 HE3 TRP B 87 18.149 5.263 7.772 1.00 0.43 H new ATOM 0 HZ2 TRP B 87 22.919 6.127 8.930 1.00 0.53 H new ATOM 0 HZ3 TRP B 87 19.285 3.949 9.516 1.00 0.50 H new ATOM 0 HH2 TRP B 87 21.642 4.369 10.078 1.00 0.53 H new ATOM 3070 N MET B 88 16.168 5.334 3.962 1.00 0.31 N ATOM 3071 CA MET B 88 14.808 5.056 3.544 1.00 0.39 C ATOM 3072 C MET B 88 14.036 4.346 4.646 1.00 0.37 C ATOM 3073 O MET B 88 14.504 3.353 5.203 1.00 0.40 O ATOM 3074 CB MET B 88 14.826 4.182 2.287 1.00 0.52 C ATOM 3075 CG MET B 88 13.446 3.842 1.751 1.00 0.73 C ATOM 3076 SD MET B 88 12.796 5.119 0.659 1.00 1.53 S ATOM 3077 CE MET B 88 13.981 5.050 -0.680 1.00 0.91 C ATOM 0 H MET B 88 16.684 4.513 4.278 1.00 0.31 H new ATOM 0 HA MET B 88 14.313 6.003 3.329 1.00 0.39 H new ATOM 0 HB2 MET B 88 15.391 4.695 1.508 1.00 0.52 H new ATOM 0 HB3 MET B 88 15.357 3.256 2.508 1.00 0.52 H new ATOM 0 HG2 MET B 88 13.492 2.896 1.211 1.00 0.73 H new ATOM 0 HG3 MET B 88 12.760 3.699 2.586 1.00 0.73 H new ATOM 0 HE1 MET B 88 14.557 5.975 -0.704 1.00 0.91 H new ATOM 0 HE2 MET B 88 14.655 4.207 -0.527 1.00 0.91 H new ATOM 0 HE3 MET B 88 13.454 4.926 -1.626 1.00 0.91 H new ATOM 3087 N ARG B 89 12.869 4.872 4.976 1.00 0.36 N ATOM 3088 CA ARG B 89 12.020 4.259 5.981 1.00 0.37 C ATOM 3089 C ARG B 89 10.938 3.458 5.273 1.00 0.36 C ATOM 3090 O ARG B 89 9.922 4.005 4.842 1.00 0.42 O ATOM 3091 CB ARG B 89 11.393 5.309 6.897 1.00 0.44 C ATOM 3092 CG ARG B 89 10.560 4.707 8.018 1.00 0.58 C ATOM 3093 CD ARG B 89 9.380 5.594 8.374 1.00 0.97 C ATOM 3094 NE ARG B 89 8.465 5.771 7.248 1.00 2.01 N ATOM 3095 CZ ARG B 89 7.449 6.633 7.245 1.00 2.63 C ATOM 3096 NH1 ARG B 89 7.212 7.393 8.308 1.00 2.41 N ATOM 3097 NH2 ARG B 89 6.674 6.742 6.176 1.00 3.80 N ATOM 0 H ARG B 89 12.488 5.723 4.562 1.00 0.36 H new ATOM 0 HA ARG B 89 12.624 3.604 6.609 1.00 0.37 H new ATOM 0 HB2 ARG B 89 12.183 5.922 7.330 1.00 0.44 H new ATOM 0 HB3 ARG B 89 10.765 5.972 6.302 1.00 0.44 H new ATOM 0 HG2 ARG B 89 10.199 3.724 7.716 1.00 0.58 H new ATOM 0 HG3 ARG B 89 11.185 4.561 8.899 1.00 0.58 H new ATOM 0 HD2 ARG B 89 8.840 5.158 9.214 1.00 0.97 H new ATOM 0 HD3 ARG B 89 9.745 6.568 8.701 1.00 0.97 H new ATOM 0 HE ARG B 89 8.613 5.201 6.415 1.00 2.01 H new ATOM 0 HH11 ARG B 89 7.809 7.318 9.132 1.00 2.41 H new ATOM 0 HH12 ARG B 89 6.433 8.051 8.301 1.00 2.41 H new ATOM 0 HH21 ARG B 89 6.855 6.166 5.354 1.00 3.80 H new ATOM 0 HH22 ARG B 89 5.897 7.402 6.175 1.00 3.80 H new ATOM 3111 N THR B 90 11.176 2.172 5.137 1.00 0.33 N ATOM 3112 CA THR B 90 10.256 1.290 4.453 1.00 0.34 C ATOM 3113 C THR B 90 9.189 0.724 5.385 1.00 0.31 C ATOM 3114 O THR B 90 9.482 -0.066 6.282 1.00 0.34 O ATOM 3115 CB THR B 90 11.029 0.140 3.789 1.00 0.38 C ATOM 3116 OG1 THR B 90 11.859 0.663 2.747 1.00 0.43 O ATOM 3117 CG2 THR B 90 10.088 -0.902 3.215 1.00 0.43 C ATOM 0 H THR B 90 12.011 1.709 5.497 1.00 0.33 H new ATOM 0 HA THR B 90 9.744 1.883 3.695 1.00 0.34 H new ATOM 0 HB THR B 90 11.643 -0.342 4.550 1.00 0.38 H new ATOM 0 HG1 THR B 90 12.716 0.187 2.741 1.00 0.43 H new ATOM 0 HG21 THR B 90 10.668 -1.701 2.753 1.00 0.43 H new ATOM 0 HG22 THR B 90 9.472 -1.316 4.014 1.00 0.43 H new ATOM 0 HG23 THR B 90 9.446 -0.439 2.465 1.00 0.43 H new ATOM 3125 N SER B 91 7.954 1.149 5.171 1.00 0.28 N ATOM 3126 CA SER B 91 6.831 0.669 5.954 1.00 0.27 C ATOM 3127 C SER B 91 6.211 -0.537 5.254 1.00 0.23 C ATOM 3128 O SER B 91 5.407 -0.394 4.332 1.00 0.28 O ATOM 3129 CB SER B 91 5.801 1.783 6.130 1.00 0.36 C ATOM 3130 OG SER B 91 6.394 2.930 6.716 1.00 0.97 O ATOM 0 H SER B 91 7.705 1.831 4.455 1.00 0.28 H new ATOM 0 HA SER B 91 7.174 0.367 6.943 1.00 0.27 H new ATOM 0 HB2 SER B 91 5.372 2.044 5.162 1.00 0.36 H new ATOM 0 HB3 SER B 91 4.982 1.431 6.757 1.00 0.36 H new ATOM 0 HG SER B 91 6.476 2.798 7.684 1.00 0.97 H new ATOM 3136 N SER B 92 6.612 -1.721 5.685 1.00 0.23 N ATOM 3137 CA SER B 92 6.134 -2.960 5.093 1.00 0.28 C ATOM 3138 C SER B 92 4.806 -3.398 5.701 1.00 0.26 C ATOM 3139 O SER B 92 4.627 -3.356 6.915 1.00 0.36 O ATOM 3140 CB SER B 92 7.183 -4.052 5.293 1.00 0.36 C ATOM 3141 OG SER B 92 8.481 -3.570 4.979 1.00 1.27 O ATOM 0 H SER B 92 7.274 -1.851 6.450 1.00 0.23 H new ATOM 0 HA SER B 92 5.970 -2.790 4.029 1.00 0.28 H new ATOM 0 HB2 SER B 92 7.160 -4.400 6.326 1.00 0.36 H new ATOM 0 HB3 SER B 92 6.946 -4.909 4.663 1.00 0.36 H new ATOM 0 HG SER B 92 8.564 -3.461 4.009 1.00 1.27 H new ATOM 3147 N PHE B 93 3.877 -3.804 4.848 1.00 0.25 N ATOM 3148 CA PHE B 93 2.575 -4.267 5.296 1.00 0.27 C ATOM 3149 C PHE B 93 2.314 -5.664 4.741 1.00 0.25 C ATOM 3150 O PHE B 93 2.664 -5.957 3.594 1.00 0.25 O ATOM 3151 CB PHE B 93 1.481 -3.298 4.841 1.00 0.33 C ATOM 3152 CG PHE B 93 0.221 -3.381 5.653 1.00 0.37 C ATOM 3153 CD1 PHE B 93 -0.744 -4.335 5.370 1.00 0.35 C ATOM 3154 CD2 PHE B 93 0.002 -2.503 6.700 1.00 0.47 C ATOM 3155 CE1 PHE B 93 -1.903 -4.408 6.117 1.00 0.41 C ATOM 3156 CE2 PHE B 93 -1.155 -2.571 7.450 1.00 0.54 C ATOM 3157 CZ PHE B 93 -2.107 -3.525 7.158 1.00 0.50 C ATOM 0 H PHE B 93 4.004 -3.821 3.836 1.00 0.25 H new ATOM 0 HA PHE B 93 2.563 -4.308 6.385 1.00 0.27 H new ATOM 0 HB2 PHE B 93 1.867 -2.280 4.890 1.00 0.33 H new ATOM 0 HB3 PHE B 93 1.243 -3.498 3.796 1.00 0.33 H new ATOM 0 HD1 PHE B 93 -0.588 -5.028 4.557 1.00 0.35 H new ATOM 0 HD2 PHE B 93 0.746 -1.755 6.933 1.00 0.47 H new ATOM 0 HE1 PHE B 93 -2.649 -5.155 5.887 1.00 0.41 H new ATOM 0 HE2 PHE B 93 -1.314 -1.879 8.263 1.00 0.54 H new ATOM 0 HZ PHE B 93 -3.012 -3.581 7.744 1.00 0.50 H new ATOM 3167 N THR B 94 1.725 -6.526 5.557 1.00 0.30 N ATOM 3168 CA THR B 94 1.429 -7.892 5.143 1.00 0.31 C ATOM 3169 C THR B 94 0.225 -7.947 4.208 1.00 0.33 C ATOM 3170 O THR B 94 -0.919 -7.852 4.648 1.00 0.37 O ATOM 3171 CB THR B 94 1.153 -8.794 6.355 1.00 0.38 C ATOM 3172 OG1 THR B 94 1.642 -8.169 7.550 1.00 0.59 O ATOM 3173 CG2 THR B 94 1.808 -10.156 6.171 1.00 0.37 C ATOM 0 H THR B 94 1.442 -6.304 6.511 1.00 0.30 H new ATOM 0 HA THR B 94 2.311 -8.253 4.613 1.00 0.31 H new ATOM 0 HB THR B 94 0.076 -8.939 6.442 1.00 0.38 H new ATOM 0 HG1 THR B 94 2.396 -8.685 7.904 1.00 0.59 H new ATOM 0 HG21 THR B 94 1.601 -10.780 7.040 1.00 0.37 H new ATOM 0 HG22 THR B 94 1.408 -10.634 5.277 1.00 0.37 H new ATOM 0 HG23 THR B 94 2.885 -10.030 6.064 1.00 0.37 H new ATOM 3181 N PHE B 95 0.492 -8.112 2.922 1.00 0.35 N ATOM 3182 CA PHE B 95 -0.561 -8.189 1.923 1.00 0.41 C ATOM 3183 C PHE B 95 -0.956 -9.647 1.719 1.00 0.45 C ATOM 3184 O PHE B 95 -0.230 -10.409 1.079 1.00 0.49 O ATOM 3185 CB PHE B 95 -0.070 -7.577 0.608 1.00 0.48 C ATOM 3186 CG PHE B 95 -1.171 -7.145 -0.314 1.00 0.56 C ATOM 3187 CD1 PHE B 95 -1.726 -8.035 -1.217 1.00 0.91 C ATOM 3188 CD2 PHE B 95 -1.641 -5.844 -0.284 1.00 0.95 C ATOM 3189 CE1 PHE B 95 -2.728 -7.634 -2.074 1.00 0.98 C ATOM 3190 CE2 PHE B 95 -2.644 -5.437 -1.137 1.00 1.03 C ATOM 3191 CZ PHE B 95 -3.187 -6.332 -2.034 1.00 0.78 C ATOM 0 H PHE B 95 1.436 -8.196 2.544 1.00 0.35 H new ATOM 0 HA PHE B 95 -1.433 -7.630 2.262 1.00 0.41 H new ATOM 0 HB2 PHE B 95 0.560 -6.716 0.833 1.00 0.48 H new ATOM 0 HB3 PHE B 95 0.557 -8.305 0.092 1.00 0.48 H new ATOM 0 HD1 PHE B 95 -1.370 -9.054 -1.250 1.00 0.91 H new ATOM 0 HD2 PHE B 95 -1.217 -5.139 0.416 1.00 0.95 H new ATOM 0 HE1 PHE B 95 -3.153 -8.336 -2.775 1.00 0.98 H new ATOM 0 HE2 PHE B 95 -3.004 -4.419 -1.103 1.00 1.03 H new ATOM 0 HZ PHE B 95 -3.971 -6.015 -2.705 1.00 0.78 H new ATOM 3201 N GLN B 96 -2.091 -10.045 2.272 1.00 0.51 N ATOM 3202 CA GLN B 96 -2.538 -11.425 2.151 1.00 0.56 C ATOM 3203 C GLN B 96 -4.038 -11.524 1.893 1.00 0.63 C ATOM 3204 O GLN B 96 -4.737 -10.512 1.787 1.00 0.71 O ATOM 3205 CB GLN B 96 -2.164 -12.216 3.413 1.00 0.60 C ATOM 3206 CG GLN B 96 -2.517 -11.527 4.726 1.00 0.74 C ATOM 3207 CD GLN B 96 -3.914 -11.859 5.215 1.00 0.88 C ATOM 3208 OE1 GLN B 96 -4.864 -11.118 4.971 1.00 1.41 O ATOM 3209 NE2 GLN B 96 -4.046 -12.976 5.911 1.00 0.91 N ATOM 0 H GLN B 96 -2.715 -9.439 2.805 1.00 0.51 H new ATOM 0 HA GLN B 96 -2.030 -11.857 1.288 1.00 0.56 H new ATOM 0 HB2 GLN B 96 -2.665 -13.184 3.380 1.00 0.60 H new ATOM 0 HB3 GLN B 96 -1.092 -12.411 3.398 1.00 0.60 H new ATOM 0 HG2 GLN B 96 -1.793 -11.817 5.488 1.00 0.74 H new ATOM 0 HG3 GLN B 96 -2.430 -10.448 4.598 1.00 0.74 H new ATOM 0 HE21 GLN B 96 -3.232 -13.564 6.092 1.00 0.91 H new ATOM 0 HE22 GLN B 96 -4.962 -13.250 6.267 1.00 0.91 H new ATOM 3218 N ASN B 97 -4.512 -12.757 1.778 1.00 0.73 N ATOM 3219 CA ASN B 97 -5.921 -13.037 1.550 1.00 0.91 C ATOM 3220 C ASN B 97 -6.530 -13.621 2.816 1.00 0.97 C ATOM 3221 O ASN B 97 -5.959 -14.529 3.422 1.00 0.97 O ATOM 3222 CB ASN B 97 -6.098 -14.031 0.398 1.00 1.06 C ATOM 3223 CG ASN B 97 -6.219 -13.365 -0.959 1.00 1.43 C ATOM 3224 OD1 ASN B 97 -6.832 -12.305 -1.101 1.00 1.94 O ATOM 3225 ND2 ASN B 97 -5.645 -13.995 -1.972 1.00 1.65 N ATOM 0 H ASN B 97 -3.929 -13.592 1.840 1.00 0.73 H new ATOM 0 HA ASN B 97 -6.423 -12.106 1.288 1.00 0.91 H new ATOM 0 HB2 ASN B 97 -5.249 -14.715 0.384 1.00 1.06 H new ATOM 0 HB3 ASN B 97 -6.989 -14.632 0.580 1.00 1.06 H new ATOM 0 HD21 ASN B 97 -5.701 -13.605 -2.913 1.00 1.65 H new ATOM 0 HD22 ASN B 97 -5.147 -14.871 -1.812 1.00 1.65 H new ATOM 3232 N PRO B 98 -7.693 -13.112 3.239 1.00 1.12 N ATOM 3233 CA PRO B 98 -8.371 -13.595 4.438 1.00 1.28 C ATOM 3234 C PRO B 98 -9.183 -14.863 4.178 1.00 1.35 C ATOM 3235 O PRO B 98 -9.986 -15.280 5.012 1.00 1.41 O ATOM 3236 CB PRO B 98 -9.285 -12.429 4.804 1.00 1.50 C ATOM 3237 CG PRO B 98 -9.613 -11.782 3.502 1.00 1.51 C ATOM 3238 CD PRO B 98 -8.430 -12.010 2.593 1.00 1.26 C ATOM 0 HA PRO B 98 -7.672 -13.873 5.227 1.00 1.28 H new ATOM 0 HB2 PRO B 98 -10.185 -12.776 5.312 1.00 1.50 H new ATOM 0 HB3 PRO B 98 -8.787 -11.732 5.478 1.00 1.50 H new ATOM 0 HG2 PRO B 98 -10.518 -12.212 3.074 1.00 1.51 H new ATOM 0 HG3 PRO B 98 -9.798 -10.716 3.636 1.00 1.51 H new ATOM 0 HD2 PRO B 98 -8.747 -12.278 1.585 1.00 1.26 H new ATOM 0 HD3 PRO B 98 -7.814 -11.115 2.506 1.00 1.26 H new ATOM 3246 N TYR B 99 -8.963 -15.471 3.018 1.00 1.39 N ATOM 3247 CA TYR B 99 -9.664 -16.691 2.647 1.00 1.52 C ATOM 3248 C TYR B 99 -9.111 -17.876 3.426 1.00 1.54 C ATOM 3249 O TYR B 99 -9.810 -18.486 4.236 1.00 1.80 O ATOM 3250 CB TYR B 99 -9.531 -16.946 1.146 1.00 1.68 C ATOM 3251 CG TYR B 99 -10.579 -16.246 0.316 1.00 1.87 C ATOM 3252 CD1 TYR B 99 -11.792 -16.859 0.046 1.00 2.26 C ATOM 3253 CD2 TYR B 99 -10.354 -14.976 -0.199 1.00 1.83 C ATOM 3254 CE1 TYR B 99 -12.753 -16.230 -0.714 1.00 2.61 C ATOM 3255 CE2 TYR B 99 -11.313 -14.337 -0.961 1.00 2.10 C ATOM 3256 CZ TYR B 99 -12.512 -14.970 -1.217 1.00 2.50 C ATOM 3257 OH TYR B 99 -13.475 -14.342 -1.976 1.00 2.90 O ATOM 0 H TYR B 99 -8.302 -15.136 2.317 1.00 1.39 H new ATOM 0 HA TYR B 99 -10.719 -16.570 2.891 1.00 1.52 H new ATOM 0 HB2 TYR B 99 -8.544 -16.621 0.817 1.00 1.68 H new ATOM 0 HB3 TYR B 99 -9.591 -18.019 0.962 1.00 1.68 H new ATOM 0 HD1 TYR B 99 -11.987 -17.846 0.438 1.00 2.26 H new ATOM 0 HD2 TYR B 99 -9.415 -14.480 -0.001 1.00 1.83 H new ATOM 0 HE1 TYR B 99 -13.693 -16.723 -0.915 1.00 2.61 H new ATOM 0 HE2 TYR B 99 -11.125 -13.349 -1.354 1.00 2.10 H new ATOM 0 HH TYR B 99 -14.363 -14.641 -1.690 1.00 2.90 H new ATOM 3267 N SER B 100 -7.850 -18.193 3.181 1.00 1.37 N ATOM 3268 CA SER B 100 -7.186 -19.292 3.860 1.00 1.42 C ATOM 3269 C SER B 100 -5.905 -18.800 4.522 1.00 1.24 C ATOM 3270 O SER B 100 -5.008 -19.591 4.835 1.00 1.29 O ATOM 3271 CB SER B 100 -6.872 -20.405 2.863 1.00 1.52 C ATOM 3272 OG SER B 100 -7.917 -20.544 1.915 1.00 2.27 O ATOM 0 H SER B 100 -7.262 -17.699 2.510 1.00 1.37 H new ATOM 0 HA SER B 100 -7.848 -19.686 4.631 1.00 1.42 H new ATOM 0 HB2 SER B 100 -5.936 -20.185 2.349 1.00 1.52 H new ATOM 0 HB3 SER B 100 -6.730 -21.346 3.395 1.00 1.52 H new ATOM 0 HG SER B 100 -7.694 -21.261 1.285 1.00 2.27 H new ATOM 3278 N ASP B 101 -5.828 -17.481 4.716 1.00 1.08 N ATOM 3279 CA ASP B 101 -4.674 -16.840 5.343 1.00 0.96 C ATOM 3280 C ASP B 101 -3.438 -16.973 4.452 1.00 0.87 C ATOM 3281 O ASP B 101 -2.308 -17.069 4.932 1.00 0.91 O ATOM 3282 CB ASP B 101 -4.422 -17.444 6.734 1.00 1.15 C ATOM 3283 CG ASP B 101 -3.487 -16.613 7.592 1.00 1.33 C ATOM 3284 OD1 ASP B 101 -3.651 -15.377 7.643 1.00 1.27 O ATOM 3285 OD2 ASP B 101 -2.592 -17.204 8.240 1.00 2.06 O ATOM 0 H ASP B 101 -6.564 -16.830 4.443 1.00 1.08 H new ATOM 0 HA ASP B 101 -4.885 -15.778 5.466 1.00 0.96 H new ATOM 0 HB2 ASP B 101 -5.375 -17.556 7.251 1.00 1.15 H new ATOM 0 HB3 ASP B 101 -4.004 -18.444 6.617 1.00 1.15 H new ATOM 3290 N GLU B 102 -3.663 -16.975 3.143 1.00 0.88 N ATOM 3291 CA GLU B 102 -2.574 -17.099 2.183 1.00 0.85 C ATOM 3292 C GLU B 102 -1.906 -15.749 1.967 1.00 0.72 C ATOM 3293 O GLU B 102 -2.572 -14.757 1.670 1.00 0.72 O ATOM 3294 CB GLU B 102 -3.074 -17.643 0.843 1.00 1.03 C ATOM 3295 CG GLU B 102 -4.307 -18.522 0.948 1.00 1.30 C ATOM 3296 CD GLU B 102 -5.575 -17.772 0.610 1.00 1.72 C ATOM 3297 OE1 GLU B 102 -6.136 -17.114 1.507 1.00 1.82 O ATOM 3298 OE2 GLU B 102 -6.010 -17.840 -0.558 1.00 2.51 O ATOM 0 H GLU B 102 -4.589 -16.892 2.723 1.00 0.88 H new ATOM 0 HA GLU B 102 -1.849 -17.803 2.592 1.00 0.85 H new ATOM 0 HB2 GLU B 102 -3.295 -16.804 0.183 1.00 1.03 H new ATOM 0 HB3 GLU B 102 -2.273 -18.215 0.374 1.00 1.03 H new ATOM 0 HG2 GLU B 102 -4.201 -19.374 0.277 1.00 1.30 H new ATOM 0 HG3 GLU B 102 -4.382 -18.920 1.960 1.00 1.30 H new ATOM 3305 N ILE B 103 -0.594 -15.717 2.114 1.00 0.68 N ATOM 3306 CA ILE B 103 0.161 -14.489 1.940 1.00 0.59 C ATOM 3307 C ILE B 103 0.413 -14.217 0.461 1.00 0.61 C ATOM 3308 O ILE B 103 1.076 -15.002 -0.219 1.00 0.74 O ATOM 3309 CB ILE B 103 1.511 -14.551 2.684 1.00 0.62 C ATOM 3310 CG1 ILE B 103 1.316 -15.102 4.101 1.00 0.67 C ATOM 3311 CG2 ILE B 103 2.155 -13.171 2.734 1.00 0.56 C ATOM 3312 CD1 ILE B 103 2.539 -15.804 4.650 1.00 0.99 C ATOM 0 H ILE B 103 -0.027 -16.530 2.354 1.00 0.68 H new ATOM 0 HA ILE B 103 -0.435 -13.679 2.361 1.00 0.59 H new ATOM 0 HB ILE B 103 2.175 -15.223 2.140 1.00 0.62 H new ATOM 0 HG12 ILE B 103 1.048 -14.282 4.767 1.00 0.67 H new ATOM 0 HG13 ILE B 103 0.477 -15.798 4.099 1.00 0.67 H new ATOM 0 HG21 ILE B 103 3.106 -13.232 3.262 1.00 0.56 H new ATOM 0 HG22 ILE B 103 2.326 -12.812 1.719 1.00 0.56 H new ATOM 0 HG23 ILE B 103 1.494 -12.480 3.257 1.00 0.56 H new ATOM 0 HD11 ILE B 103 2.329 -16.168 5.656 1.00 0.99 H new ATOM 0 HD12 ILE B 103 2.796 -16.645 4.006 1.00 0.99 H new ATOM 0 HD13 ILE B 103 3.375 -15.105 4.684 1.00 0.99 H new ATOM 3324 N GLU B 104 -0.130 -13.113 -0.034 1.00 0.54 N ATOM 3325 CA GLU B 104 0.043 -12.739 -1.428 1.00 0.59 C ATOM 3326 C GLU B 104 1.463 -12.238 -1.655 1.00 0.51 C ATOM 3327 O GLU B 104 2.211 -12.809 -2.448 1.00 0.56 O ATOM 3328 CB GLU B 104 -0.974 -11.666 -1.828 1.00 0.69 C ATOM 3329 CG GLU B 104 -2.416 -12.078 -1.587 1.00 0.85 C ATOM 3330 CD GLU B 104 -3.297 -11.837 -2.792 1.00 1.06 C ATOM 3331 OE1 GLU B 104 -2.989 -12.375 -3.875 1.00 1.44 O ATOM 3332 OE2 GLU B 104 -4.296 -11.099 -2.673 1.00 1.33 O ATOM 0 H GLU B 104 -0.694 -12.461 0.511 1.00 0.54 H new ATOM 0 HA GLU B 104 -0.127 -13.617 -2.052 1.00 0.59 H new ATOM 0 HB2 GLU B 104 -0.767 -10.754 -1.269 1.00 0.69 H new ATOM 0 HB3 GLU B 104 -0.844 -11.429 -2.884 1.00 0.69 H new ATOM 0 HG2 GLU B 104 -2.449 -13.135 -1.323 1.00 0.85 H new ATOM 0 HG3 GLU B 104 -2.811 -11.524 -0.736 1.00 0.85 H new ATOM 3339 N TYR B 105 1.827 -11.183 -0.937 1.00 0.42 N ATOM 3340 CA TYR B 105 3.157 -10.592 -1.028 1.00 0.40 C ATOM 3341 C TYR B 105 3.323 -9.532 0.056 1.00 0.33 C ATOM 3342 O TYR B 105 2.503 -9.441 0.970 1.00 0.37 O ATOM 3343 CB TYR B 105 3.425 -10.003 -2.425 1.00 0.46 C ATOM 3344 CG TYR B 105 2.376 -9.038 -2.933 1.00 0.47 C ATOM 3345 CD1 TYR B 105 2.432 -7.688 -2.613 1.00 0.45 C ATOM 3346 CD2 TYR B 105 1.342 -9.476 -3.750 1.00 0.59 C ATOM 3347 CE1 TYR B 105 1.485 -6.804 -3.089 1.00 0.55 C ATOM 3348 CE2 TYR B 105 0.390 -8.598 -4.229 1.00 0.67 C ATOM 3349 CZ TYR B 105 0.467 -7.263 -3.896 1.00 0.65 C ATOM 3350 OH TYR B 105 -0.477 -6.382 -4.372 1.00 0.77 O ATOM 0 H TYR B 105 1.209 -10.713 -0.275 1.00 0.42 H new ATOM 0 HA TYR B 105 3.894 -11.380 -0.871 1.00 0.40 H new ATOM 0 HB2 TYR B 105 4.387 -9.491 -2.407 1.00 0.46 H new ATOM 0 HB3 TYR B 105 3.514 -10.824 -3.136 1.00 0.46 H new ATOM 0 HD1 TYR B 105 3.229 -7.324 -1.982 1.00 0.45 H new ATOM 0 HD2 TYR B 105 1.281 -10.521 -4.015 1.00 0.59 H new ATOM 0 HE1 TYR B 105 1.542 -5.757 -2.830 1.00 0.55 H new ATOM 0 HE2 TYR B 105 -0.410 -8.955 -4.861 1.00 0.67 H new ATOM 0 HH TYR B 105 -1.281 -6.432 -3.814 1.00 0.77 H new ATOM 3360 N ILE B 106 4.373 -8.732 -0.037 1.00 0.26 N ATOM 3361 CA ILE B 106 4.624 -7.702 0.957 1.00 0.25 C ATOM 3362 C ILE B 106 4.672 -6.319 0.316 1.00 0.26 C ATOM 3363 O ILE B 106 5.522 -6.046 -0.538 1.00 0.28 O ATOM 3364 CB ILE B 106 5.950 -7.953 1.711 1.00 0.26 C ATOM 3365 CG1 ILE B 106 6.019 -9.396 2.221 1.00 0.31 C ATOM 3366 CG2 ILE B 106 6.091 -6.974 2.871 1.00 0.30 C ATOM 3367 CD1 ILE B 106 7.393 -9.803 2.707 1.00 0.36 C ATOM 0 H ILE B 106 5.062 -8.776 -0.787 1.00 0.26 H new ATOM 0 HA ILE B 106 3.798 -7.743 1.667 1.00 0.25 H new ATOM 0 HB ILE B 106 6.775 -7.796 1.017 1.00 0.26 H new ATOM 0 HG12 ILE B 106 5.304 -9.519 3.034 1.00 0.31 H new ATOM 0 HG13 ILE B 106 5.711 -10.070 1.421 1.00 0.31 H new ATOM 0 HG21 ILE B 106 7.029 -7.162 3.394 1.00 0.30 H new ATOM 0 HG22 ILE B 106 6.087 -5.953 2.488 1.00 0.30 H new ATOM 0 HG23 ILE B 106 5.258 -7.106 3.562 1.00 0.30 H new ATOM 0 HD11 ILE B 106 7.365 -10.836 3.053 1.00 0.36 H new ATOM 0 HD12 ILE B 106 8.109 -9.713 1.890 1.00 0.36 H new ATOM 0 HD13 ILE B 106 7.696 -9.154 3.528 1.00 0.36 H new ATOM 3379 N ILE B 107 3.753 -5.453 0.721 1.00 0.29 N ATOM 3380 CA ILE B 107 3.706 -4.095 0.204 1.00 0.34 C ATOM 3381 C ILE B 107 4.564 -3.191 1.075 1.00 0.40 C ATOM 3382 O ILE B 107 4.178 -2.820 2.184 1.00 0.52 O ATOM 3383 CB ILE B 107 2.270 -3.534 0.136 1.00 0.44 C ATOM 3384 CG1 ILE B 107 1.417 -4.081 1.282 1.00 0.46 C ATOM 3385 CG2 ILE B 107 1.637 -3.862 -1.207 1.00 0.53 C ATOM 3386 CD1 ILE B 107 0.142 -3.301 1.512 1.00 0.79 C ATOM 0 H ILE B 107 3.030 -5.669 1.407 1.00 0.29 H new ATOM 0 HA ILE B 107 4.091 -4.123 -0.815 1.00 0.34 H new ATOM 0 HB ILE B 107 2.320 -2.450 0.240 1.00 0.44 H new ATOM 0 HG12 ILE B 107 1.165 -5.120 1.072 1.00 0.46 H new ATOM 0 HG13 ILE B 107 2.007 -4.075 2.198 1.00 0.46 H new ATOM 0 HG21 ILE B 107 0.624 -3.460 -1.240 1.00 0.53 H new ATOM 0 HG22 ILE B 107 2.230 -3.418 -2.007 1.00 0.53 H new ATOM 0 HG23 ILE B 107 1.602 -4.943 -1.338 1.00 0.53 H new ATOM 0 HD11 ILE B 107 -0.412 -3.745 2.339 1.00 0.79 H new ATOM 0 HD12 ILE B 107 0.387 -2.267 1.753 1.00 0.79 H new ATOM 0 HD13 ILE B 107 -0.469 -3.328 0.610 1.00 0.79 H new ATOM 3398 N CYS B 108 5.740 -2.863 0.582 1.00 0.39 N ATOM 3399 CA CYS B 108 6.661 -2.026 1.324 1.00 0.47 C ATOM 3400 C CYS B 108 6.590 -0.574 0.874 1.00 0.37 C ATOM 3401 O CYS B 108 6.974 -0.238 -0.245 1.00 0.43 O ATOM 3402 CB CYS B 108 8.080 -2.561 1.172 1.00 0.61 C ATOM 3403 SG CYS B 108 8.347 -4.147 1.991 1.00 1.55 S ATOM 0 H CYS B 108 6.082 -3.164 -0.331 1.00 0.39 H new ATOM 0 HA CYS B 108 6.373 -2.055 2.375 1.00 0.47 H new ATOM 0 HB2 CYS B 108 8.308 -2.667 0.111 1.00 0.61 H new ATOM 0 HB3 CYS B 108 8.780 -1.830 1.577 1.00 0.61 H new ATOM 0 HG CYS B 108 8.838 -4.998 1.140 1.00 1.55 H new ATOM 3409 N THR B 109 6.091 0.279 1.748 1.00 0.32 N ATOM 3410 CA THR B 109 5.986 1.694 1.454 1.00 0.29 C ATOM 3411 C THR B 109 7.314 2.377 1.754 1.00 0.26 C ATOM 3412 O THR B 109 7.614 2.704 2.904 1.00 0.27 O ATOM 3413 CB THR B 109 4.868 2.346 2.279 1.00 0.39 C ATOM 3414 OG1 THR B 109 3.763 1.437 2.397 1.00 0.48 O ATOM 3415 CG2 THR B 109 4.406 3.639 1.629 1.00 0.49 C ATOM 0 H THR B 109 5.750 0.014 2.672 1.00 0.32 H new ATOM 0 HA THR B 109 5.743 1.810 0.398 1.00 0.29 H new ATOM 0 HB THR B 109 5.256 2.578 3.271 1.00 0.39 H new ATOM 0 HG1 THR B 109 3.051 1.854 2.925 1.00 0.48 H new ATOM 0 HG21 THR B 109 3.613 4.085 2.230 1.00 0.49 H new ATOM 0 HG22 THR B 109 5.244 4.332 1.562 1.00 0.49 H new ATOM 0 HG23 THR B 109 4.028 3.429 0.628 1.00 0.49 H new ATOM 3423 N ASN B 110 8.113 2.568 0.719 1.00 0.35 N ATOM 3424 CA ASN B 110 9.422 3.187 0.865 1.00 0.40 C ATOM 3425 C ASN B 110 9.301 4.696 0.984 1.00 0.45 C ATOM 3426 O ASN B 110 8.935 5.373 0.028 1.00 0.57 O ATOM 3427 CB ASN B 110 10.318 2.840 -0.327 1.00 0.53 C ATOM 3428 CG ASN B 110 10.964 1.473 -0.206 1.00 1.18 C ATOM 3429 OD1 ASN B 110 10.402 0.554 0.388 1.00 1.84 O ATOM 3430 ND2 ASN B 110 12.155 1.325 -0.771 1.00 1.84 N ATOM 0 H ASN B 110 7.878 2.302 -0.237 1.00 0.35 H new ATOM 0 HA ASN B 110 9.871 2.797 1.778 1.00 0.40 H new ATOM 0 HB2 ASN B 110 9.726 2.876 -1.242 1.00 0.53 H new ATOM 0 HB3 ASN B 110 11.097 3.597 -0.421 1.00 0.53 H new ATOM 0 HD21 ASN B 110 12.635 0.426 -0.721 1.00 1.84 H new ATOM 0 HD22 ASN B 110 12.591 2.110 -1.255 1.00 1.84 H new ATOM 3437 N THR B 111 9.587 5.216 2.167 1.00 0.39 N ATOM 3438 CA THR B 111 9.529 6.647 2.397 1.00 0.41 C ATOM 3439 C THR B 111 10.923 7.189 2.704 1.00 0.38 C ATOM 3440 O THR B 111 11.488 6.915 3.764 1.00 0.43 O ATOM 3441 CB THR B 111 8.578 6.984 3.559 1.00 0.45 C ATOM 3442 OG1 THR B 111 7.587 5.953 3.690 1.00 0.50 O ATOM 3443 CG2 THR B 111 7.897 8.324 3.327 1.00 0.52 C ATOM 0 H THR B 111 9.861 4.667 2.982 1.00 0.39 H new ATOM 0 HA THR B 111 9.148 7.116 1.490 1.00 0.41 H new ATOM 0 HB THR B 111 9.162 7.047 4.477 1.00 0.45 H new ATOM 0 HG1 THR B 111 6.713 6.302 3.416 1.00 0.50 H new ATOM 0 HG21 THR B 111 7.229 8.542 4.161 1.00 0.52 H new ATOM 0 HG22 THR B 111 8.651 9.107 3.252 1.00 0.52 H new ATOM 0 HG23 THR B 111 7.322 8.284 2.402 1.00 0.52 H new ATOM 3451 N ASN B 112 11.480 7.940 1.768 1.00 0.36 N ATOM 3452 CA ASN B 112 12.811 8.511 1.937 1.00 0.36 C ATOM 3453 C ASN B 112 12.762 9.686 2.909 1.00 0.34 C ATOM 3454 O ASN B 112 12.105 10.693 2.643 1.00 0.37 O ATOM 3455 CB ASN B 112 13.372 8.954 0.580 1.00 0.45 C ATOM 3456 CG ASN B 112 14.651 9.766 0.698 1.00 0.39 C ATOM 3457 OD1 ASN B 112 14.809 10.784 0.027 1.00 0.71 O ATOM 3458 ND2 ASN B 112 15.579 9.319 1.526 1.00 0.42 N ATOM 0 H ASN B 112 11.032 8.170 0.881 1.00 0.36 H new ATOM 0 HA ASN B 112 13.472 7.750 2.352 1.00 0.36 H new ATOM 0 HB2 ASN B 112 13.564 8.073 -0.032 1.00 0.45 H new ATOM 0 HB3 ASN B 112 12.620 9.546 0.059 1.00 0.45 H new ATOM 0 HD21 ASN B 112 16.461 9.823 1.624 1.00 0.42 H new ATOM 0 HD22 ASN B 112 15.414 8.470 2.067 1.00 0.42 H new ATOM 3465 N VAL B 113 13.458 9.548 4.035 1.00 0.36 N ATOM 3466 CA VAL B 113 13.478 10.589 5.058 1.00 0.44 C ATOM 3467 C VAL B 113 14.186 11.853 4.568 1.00 0.50 C ATOM 3468 O VAL B 113 13.772 12.965 4.892 1.00 0.78 O ATOM 3469 CB VAL B 113 14.135 10.094 6.370 1.00 0.52 C ATOM 3470 CG1 VAL B 113 13.333 8.947 6.969 1.00 0.98 C ATOM 3471 CG2 VAL B 113 15.578 9.668 6.141 1.00 0.83 C ATOM 0 H VAL B 113 14.016 8.725 4.262 1.00 0.36 H new ATOM 0 HA VAL B 113 12.437 10.835 5.265 1.00 0.44 H new ATOM 0 HB VAL B 113 14.138 10.926 7.074 1.00 0.52 H new ATOM 0 HG11 VAL B 113 13.810 8.612 7.890 1.00 0.98 H new ATOM 0 HG12 VAL B 113 12.320 9.286 7.187 1.00 0.98 H new ATOM 0 HG13 VAL B 113 13.294 8.121 6.259 1.00 0.98 H new ATOM 0 HG21 VAL B 113 16.010 9.326 7.081 1.00 0.83 H new ATOM 0 HG22 VAL B 113 15.607 8.858 5.412 1.00 0.83 H new ATOM 0 HG23 VAL B 113 16.152 10.515 5.765 1.00 0.83 H new ATOM 3481 N LYS B 114 15.242 11.683 3.779 1.00 0.66 N ATOM 3482 CA LYS B 114 15.989 12.816 3.255 1.00 0.80 C ATOM 3483 C LYS B 114 16.868 12.377 2.098 1.00 0.96 C ATOM 3484 O LYS B 114 17.053 13.170 1.154 1.00 1.54 O ATOM 3485 CB LYS B 114 16.845 13.449 4.354 1.00 1.37 C ATOM 3486 CG LYS B 114 17.106 14.933 4.140 1.00 1.56 C ATOM 3487 CD LYS B 114 15.813 15.702 3.887 1.00 2.38 C ATOM 3488 CE LYS B 114 15.188 16.225 5.176 1.00 2.81 C ATOM 3489 NZ LYS B 114 14.846 15.134 6.124 1.00 3.21 N ATOM 3490 OXT LYS B 114 17.359 11.231 2.130 1.00 0.67 O ATOM 0 H LYS B 114 15.598 10.772 3.490 1.00 0.66 H new ATOM 0 HA LYS B 114 15.278 13.560 2.895 1.00 0.80 H new ATOM 0 HB2 LYS B 114 16.350 13.310 5.315 1.00 1.37 H new ATOM 0 HB3 LYS B 114 17.799 12.924 4.408 1.00 1.37 H new ATOM 0 HG2 LYS B 114 17.609 15.344 5.015 1.00 1.56 H new ATOM 0 HG3 LYS B 114 17.780 15.066 3.294 1.00 1.56 H new ATOM 0 HD2 LYS B 114 16.016 16.539 3.219 1.00 2.38 H new ATOM 0 HD3 LYS B 114 15.101 15.053 3.378 1.00 2.38 H new ATOM 0 HE2 LYS B 114 15.880 16.917 5.657 1.00 2.81 H new ATOM 0 HE3 LYS B 114 14.287 16.790 4.936 1.00 2.81 H new ATOM 0 HZ1 LYS B 114 14.153 15.481 6.818 1.00 3.21 H new ATOM 0 HZ2 LYS B 114 14.439 14.333 5.600 1.00 3.21 H new ATOM 0 HZ3 LYS B 114 15.706 14.823 6.620 1.00 3.21 H new TER 3504 LYS B 114