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 88 MET CE :methyl 151:sc= 0 (180deg=-0.136) USER MOD Set 1.2: B 90 THR OG1 : rot -88:sc= 0.969 USER MOD Set 1.3: B 110 ASN : amide:sc= 0.834 K(o=1.8,f=-0.023) USER MOD Set 2.1: B 73 SER OG : rot 180:sc= 1.05 USER MOD Set 2.2: B 91 SER OG : rot -90:sc= 1.17 USER MOD Set 3.1: B 35 TYR OH : rot 62:sc= 2.34 USER MOD Set 3.2: B 83 GLN : amide:sc= 0.889 K(o=3.2,f=-0.24) USER MOD Set 4.1: B 16 HIS : no HE2:sc= -1.68 K(o=-5.3,f=-7.1!) USER MOD Set 4.2: B 108 CYS SG : rot -44:sc= -3.64! USER MOD Set 5.1: A 70 GLN : amide:sc= 1.31 X(o=1.9,f=1.5) USER MOD Set 5.2: A 109 SER OG : rot 180:sc= 0.623 USER MOD Set 6.1: A 86 GLN :FLIP amide:sc= 0.318 F(o=-0.52,f=0.68) USER MOD Set 6.2: A 106 TYR OH : rot -166:sc= 0.359 USER MOD Set 7.1: A 65 GLN : amide:sc= 2.08 K(o=4.3,f=-2.9) USER MOD Set 7.2: A 88 THR OG1 : rot 150:sc= 0.972 USER MOD Set 7.3: B 70 GLN : amide:sc= 1.3 K(o=4.3,f=-2.9!) USER MOD Set 8.1: A 10 SER OG : rot -128:sc= 1.2 USER MOD Set 8.2: A 12 HIS : no HE2:sc= 2.15 K(o=5.1,f=-7.7!) USER MOD Set 8.3: A 16 MET CE :methyl 168:sc= 0 (180deg=-0.242) USER MOD Set 8.4: A 45 TYR OH : rot -173:sc= 1.38 USER MOD Set 8.5: A 53 MET CE :methyl -156:sc= 0 (180deg=-0.0247) USER MOD Set 8.6: A 71 TYR OH : rot 150:sc= 1.13 USER MOD Set 8.7: A 85 THR OG1 : rot 150:sc= 1.22 USER MOD Set 8.8: A 103 CYS SG : rot 180:sc= -0.0428 USER MOD Set 8.9: A 105 ASN : amide:sc= -1.98 K(o=5.1,f=-2.7!) USER MOD Set 9.1: A 59 ASN : amide:sc= 0.922 K(o=2,f=-9.7!) USER MOD Set 9.2: A 63 LYS NZ :NH3+ 159:sc= 1.07 (180deg=-0.0832) USER MOD Set10.1: A 57 HIS : no HD1:sc= -0.144 X(o=0.29,f=-0.062) USER MOD Set10.2: A 61 CYS SG : rot 71:sc= 0.429 USER MOD Set11.1: A 42 TYR OH : rot 100:sc= 1.05 USER MOD Set11.2: A 54 THR OG1 : rot -61:sc= 1.19 USER MOD Set12.1: A 13 SER OG : rot -131:sc= 2.33 USER MOD Set12.2: A 19 THR OG1 : rot -153:sc= 1.22 USER MOD Set12.3: A 100 CYS SG : rot 137:sc= 1.01 USER MOD Single : A 6 LYS NZ :NH3+ -140:sc= 1.14 (180deg=0.715) USER MOD Single : A 7 THR OG1 : rot -68:sc= 0.817 USER MOD Single : A 14 MET CE :methyl 158:sc= -0.127 (180deg=-0.695) USER MOD Single : A 17 LYS NZ :NH3+ -165:sc= 1.22 (180deg=1.15) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 106:sc= -2.84! USER MOD Single : A 26 THR OG1 : rot 76:sc= 0.54 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS :FLIP no HD1:sc= -0.0445 F(o=-0.83,f=-0.044) USER MOD Single : A 40 SER OG : rot 100:sc= 1.32 USER MOD Single : A 46 HIS : +bothHN:sc= -1.61! C(o=-1.6!,f=-11!) USER MOD Single : A 50 SER OG : rot -62:sc= 1.04 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 55 LYS NZ :NH3+ 141:sc= 1.22 (180deg=0.151) USER MOD Single : A 56 SER OG : rot 90:sc= 1.35 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0113 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 1.05 K(o=1.1,f=-11!) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 GLN : amide:sc= -0.205 K(o=-0.21,f=-1.6!) USER MOD Single : A 99 GLN : amide:sc= -0.0355 K(o=-0.035,f=-1.5) USER MOD Single : A 102 MET CE :methyl -137:sc= -1.46 (180deg=-3.87!) USER MOD Single : B 7 CYS SG : rot 180:sc= 0 USER MOD Single : B 8 GLN : amide:sc= 0.246 K(o=0.25,f=-2) USER MOD Single : B 10 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 SER OG : rot -171:sc= -1.3 USER MOD Single : B 17 ASN : amide:sc= -1.3 K(o=-1.3,f=-9.4!) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0 USER MOD Single : B 27 HIS : no HD1:sc= 0.395 K(o=0.4,f=-5.1!) USER MOD Single : B 29 CYS SG : rot 88:sc= 1.32 USER MOD Single : B 32 THR OG1 : rot 162:sc= 0.341 USER MOD Single : B 36 GLN :FLIP amide:sc= -0.0814 F(o=-1.9!,f=-0.081) USER MOD Single : B 38 GLN : amide:sc= 0.884 K(o=0.88,f=-5.5!) USER MOD Single : B 43 LYS NZ :NH3+ 162:sc= 1.14 (180deg=0.565) USER MOD Single : B 44 ASN : amide:sc= 0.44 K(o=0.44,f=-0.24) USER MOD Single : B 49 CYS SG : rot 73:sc= -1.09! USER MOD Single : B 50 HIS : no HE2:sc= 0.773 K(o=0.77,f=-5.4!) USER MOD Single : B 54 GLN : amide:sc= -1.75! C(o=-1.8!,f=-2.4!) USER MOD Single : B 55 GLN : amide:sc= -0.319 K(o=-0.32,f=-6.4!) USER MOD Single : B 60 SER OG : rot 94:sc= 1.26 USER MOD Single : B 62 GLN :FLIP amide:sc= -0.033 F(o=-0.61,f=-0.033) USER MOD Single : B 63 GLN : amide:sc= 0.41 K(o=0.41,f=-1.1) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 LYS NZ :NH3+ 147:sc= 0.685 (180deg=-0.507!) USER MOD Single : B 75 MET CE :methyl -111:sc= -0.137 (180deg=-1.35) USER MOD Single : B 80 SER OG : rot 150:sc= -2.24! USER MOD Single : B 81 LYS NZ :NH3+ -122:sc= 0.0131 (180deg=-0.94!) USER MOD Single : B 82 ASN : amide:sc= 0.514 K(o=0.51,f=-0.44) USER MOD Single : B 92 SER OG : rot -119:sc= 0.00476 USER MOD Single : B 94 THR OG1 : rot -146:sc= 1.14 USER MOD Single : B 96 GLN : amide:sc= 0.134 K(o=0.13,f=-7.9!) USER MOD Single : B 97 ASN : amide:sc= 0.0583 K(o=0.058,f=-5.9!) USER MOD Single : B 99 TYR OH : rot 34:sc= 1.21 USER MOD Single : B 100 SER OG : rot 180:sc= 0 USER MOD Single : B 105 TYR OH : rot -117:sc= 1.12 USER MOD Single : B 109 THR OG1 : rot 146:sc= 2.12 USER MOD Single : B 111 THR OG1 : rot -120:sc= 0.635 USER MOD Single : B 112 ASN : amide:sc= 0.769 K(o=0.77,f=-4.9!) USER MOD Single : B 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 6 -8.712 -13.389 -0.925 1.00 0.00 N ATOM 2 CA LYS A 6 -7.938 -12.325 -1.606 1.00 0.00 C ATOM 3 C LYS A 6 -8.035 -11.005 -0.848 1.00 0.00 C ATOM 4 O LYS A 6 -8.932 -10.811 -0.026 1.00 0.00 O ATOM 5 CB LYS A 6 -8.441 -12.131 -3.040 1.00 0.00 C ATOM 6 CG LYS A 6 -7.415 -12.501 -4.099 1.00 0.00 C ATOM 7 CD LYS A 6 -7.890 -12.138 -5.494 1.00 0.00 C ATOM 8 CE LYS A 6 -6.839 -12.480 -6.539 1.00 0.00 C ATOM 9 NZ LYS A 6 -7.356 -12.324 -7.921 1.00 0.00 N ATOM 0 HA LYS A 6 -6.894 -12.638 -1.630 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.337 -12.735 -3.187 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.733 -11.090 -3.176 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -6.476 -11.989 -3.890 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.212 -13.571 -4.051 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.815 -12.671 -5.716 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.117 -11.073 -5.538 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.970 -11.837 -6.403 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.502 -13.506 -6.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.003 -13.102 -8.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.396 -12.344 -7.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.033 -11.416 -8.312 1.00 0.00 H new ATOM 25 N THR A 7 -7.094 -10.113 -1.126 1.00 0.00 N ATOM 26 CA THR A 7 -7.043 -8.802 -0.499 1.00 0.00 C ATOM 27 C THR A 7 -6.829 -7.729 -1.564 1.00 0.00 C ATOM 28 O THR A 7 -6.571 -8.054 -2.726 1.00 0.00 O ATOM 29 CB THR A 7 -5.907 -8.739 0.539 1.00 0.00 C ATOM 30 OG1 THR A 7 -4.777 -9.490 0.070 1.00 0.00 O ATOM 31 CG2 THR A 7 -6.361 -9.286 1.883 1.00 0.00 C ATOM 0 H THR A 7 -6.343 -10.280 -1.795 1.00 0.00 H new ATOM 0 HA THR A 7 -7.989 -8.625 0.012 1.00 0.00 H new ATOM 0 HB THR A 7 -5.625 -7.694 0.671 1.00 0.00 H new ATOM 0 HG1 THR A 7 -5.003 -10.443 0.051 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.538 -9.229 2.596 1.00 0.00 H new ATOM 0 HG22 THR A 7 -7.201 -8.697 2.251 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.669 -10.325 1.768 1.00 0.00 H new ATOM 39 N PHE A 8 -6.936 -6.466 -1.176 1.00 0.00 N ATOM 40 CA PHE A 8 -6.757 -5.361 -2.112 1.00 0.00 C ATOM 41 C PHE A 8 -6.106 -4.160 -1.423 1.00 0.00 C ATOM 42 O PHE A 8 -6.541 -3.736 -0.352 1.00 0.00 O ATOM 43 CB PHE A 8 -8.118 -4.975 -2.719 1.00 0.00 C ATOM 44 CG PHE A 8 -8.193 -3.570 -3.251 1.00 0.00 C ATOM 45 CD1 PHE A 8 -7.479 -3.198 -4.377 1.00 0.00 C ATOM 46 CD2 PHE A 8 -8.986 -2.623 -2.624 1.00 0.00 C ATOM 47 CE1 PHE A 8 -7.553 -1.908 -4.865 1.00 0.00 C ATOM 48 CE2 PHE A 8 -9.063 -1.333 -3.107 1.00 0.00 C ATOM 49 CZ PHE A 8 -8.345 -0.975 -4.229 1.00 0.00 C ATOM 0 H PHE A 8 -7.146 -6.179 -0.220 1.00 0.00 H new ATOM 0 HA PHE A 8 -6.090 -5.681 -2.913 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -8.350 -5.668 -3.528 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -8.889 -5.103 -1.959 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.857 -3.924 -4.879 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -9.551 -2.898 -1.746 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -6.991 -1.630 -5.744 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.684 -0.605 -2.607 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.403 0.034 -4.609 1.00 0.00 H new ATOM 59 N LEU A 9 -5.056 -3.625 -2.040 1.00 0.00 N ATOM 60 CA LEU A 9 -4.348 -2.469 -1.499 1.00 0.00 C ATOM 61 C LEU A 9 -4.961 -1.174 -2.030 1.00 0.00 C ATOM 62 O LEU A 9 -4.979 -0.927 -3.237 1.00 0.00 O ATOM 63 CB LEU A 9 -2.855 -2.542 -1.860 1.00 0.00 C ATOM 64 CG LEU A 9 -1.923 -1.566 -1.115 1.00 0.00 C ATOM 65 CD1 LEU A 9 -1.702 -0.301 -1.929 1.00 0.00 C ATOM 66 CD2 LEU A 9 -2.470 -1.216 0.264 1.00 0.00 C ATOM 0 H LEU A 9 -4.675 -3.976 -2.919 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.444 -2.478 -0.413 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.507 -3.558 -1.672 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.753 -2.363 -2.930 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.965 -2.068 -0.981 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.041 0.372 -1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.247 -0.559 -2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.659 0.192 -2.103 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.788 -0.526 0.762 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.448 -0.747 0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.565 -2.124 0.859 1.00 0.00 H new ATOM 78 N SER A 10 -5.469 -0.358 -1.123 1.00 0.00 N ATOM 79 CA SER A 10 -6.079 0.906 -1.486 1.00 0.00 C ATOM 80 C SER A 10 -5.284 2.070 -0.899 1.00 0.00 C ATOM 81 O SER A 10 -5.087 2.150 0.312 1.00 0.00 O ATOM 82 CB SER A 10 -7.523 0.944 -0.978 1.00 0.00 C ATOM 83 OG SER A 10 -8.313 1.850 -1.727 1.00 0.00 O ATOM 0 H SER A 10 -5.470 -0.552 -0.122 1.00 0.00 H new ATOM 0 HA SER A 10 -6.077 1.001 -2.572 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.957 -0.054 -1.037 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.533 1.234 0.073 1.00 0.00 H new ATOM 0 HG SER A 10 -8.773 2.465 -1.117 1.00 0.00 H new ATOM 89 N ARG A 11 -4.813 2.960 -1.760 1.00 0.00 N ATOM 90 CA ARG A 11 -4.055 4.119 -1.317 1.00 0.00 C ATOM 91 C ARG A 11 -4.923 5.365 -1.375 1.00 0.00 C ATOM 92 O ARG A 11 -5.503 5.676 -2.415 1.00 0.00 O ATOM 93 CB ARG A 11 -2.806 4.304 -2.176 1.00 0.00 C ATOM 94 CG ARG A 11 -1.566 3.673 -1.574 1.00 0.00 C ATOM 95 CD ARG A 11 -1.204 4.330 -0.254 1.00 0.00 C ATOM 96 NE ARG A 11 0.092 3.884 0.246 1.00 0.00 N ATOM 97 CZ ARG A 11 1.235 4.538 0.033 1.00 0.00 C ATOM 98 NH1 ARG A 11 1.255 5.632 -0.713 1.00 0.00 N ATOM 99 NH2 ARG A 11 2.363 4.092 0.550 1.00 0.00 N ATOM 0 H ARG A 11 -4.943 2.901 -2.770 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.742 3.955 -0.286 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.983 3.872 -3.161 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.629 5.369 -2.322 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.735 2.607 -1.419 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.733 3.765 -2.270 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.190 5.413 -0.381 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.973 4.106 0.485 1.00 0.00 H new ATOM 0 HE ARG A 11 0.126 3.022 0.790 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.392 5.981 -1.130 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.133 6.126 -0.871 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.364 3.243 1.116 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.234 4.596 0.384 1.00 0.00 H new ATOM 113 N HIS A 12 -5.031 6.059 -0.251 1.00 0.00 N ATOM 114 CA HIS A 12 -5.838 7.272 -0.179 1.00 0.00 C ATOM 115 C HIS A 12 -5.020 8.425 0.384 1.00 0.00 C ATOM 116 O HIS A 12 -4.355 8.274 1.406 1.00 0.00 O ATOM 117 CB HIS A 12 -7.082 7.044 0.687 1.00 0.00 C ATOM 118 CG HIS A 12 -8.020 6.010 0.138 1.00 0.00 C ATOM 119 ND1 HIS A 12 -9.210 6.320 -0.478 1.00 0.00 N ATOM 120 CD2 HIS A 12 -7.931 4.660 0.115 1.00 0.00 C ATOM 121 CE1 HIS A 12 -9.812 5.209 -0.855 1.00 0.00 C ATOM 122 NE2 HIS A 12 -9.057 4.184 -0.509 1.00 0.00 N ATOM 0 H HIS A 12 -4.571 5.805 0.623 1.00 0.00 H new ATOM 0 HA HIS A 12 -6.157 7.526 -1.190 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -6.768 6.742 1.686 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -7.618 7.987 0.793 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -9.571 7.263 -0.621 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -7.122 4.066 0.514 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -10.764 5.148 -1.362 1.00 0.00 H new ATOM 131 N SER A 13 -5.057 9.566 -0.289 1.00 0.00 N ATOM 132 CA SER A 13 -4.316 10.741 0.154 1.00 0.00 C ATOM 133 C SER A 13 -5.126 12.010 -0.106 1.00 0.00 C ATOM 134 O SER A 13 -6.118 11.977 -0.840 1.00 0.00 O ATOM 135 CB SER A 13 -2.964 10.821 -0.569 1.00 0.00 C ATOM 136 OG SER A 13 -2.337 9.547 -0.638 1.00 0.00 O ATOM 0 H SER A 13 -5.593 9.704 -1.146 1.00 0.00 H new ATOM 0 HA SER A 13 -4.137 10.654 1.226 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.111 11.211 -1.576 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.312 11.522 -0.048 1.00 0.00 H new ATOM 0 HG SER A 13 -1.405 9.625 -0.344 1.00 0.00 H new ATOM 142 N MET A 14 -4.706 13.113 0.520 1.00 0.00 N ATOM 143 CA MET A 14 -5.357 14.418 0.366 1.00 0.00 C ATOM 144 C MET A 14 -6.817 14.375 0.823 1.00 0.00 C ATOM 145 O MET A 14 -7.099 14.377 2.020 1.00 0.00 O ATOM 146 CB MET A 14 -5.257 14.902 -1.086 1.00 0.00 C ATOM 147 CG MET A 14 -3.828 15.077 -1.576 1.00 0.00 C ATOM 148 SD MET A 14 -3.749 15.694 -3.267 1.00 0.00 S ATOM 149 CE MET A 14 -4.485 17.314 -3.065 1.00 0.00 C ATOM 0 H MET A 14 -3.903 13.127 1.149 1.00 0.00 H new ATOM 0 HA MET A 14 -4.833 15.128 1.006 1.00 0.00 H new ATOM 0 HB2 MET A 14 -5.769 14.190 -1.733 1.00 0.00 H new ATOM 0 HB3 MET A 14 -5.783 15.852 -1.180 1.00 0.00 H new ATOM 0 HG2 MET A 14 -3.303 15.767 -0.916 1.00 0.00 H new ATOM 0 HG3 MET A 14 -3.307 14.121 -1.517 1.00 0.00 H new ATOM 0 HE1 MET A 14 -4.170 17.961 -3.884 1.00 0.00 H new ATOM 0 HE2 MET A 14 -5.571 17.223 -3.071 1.00 0.00 H new ATOM 0 HE3 MET A 14 -4.162 17.745 -2.117 1.00 0.00 H new ATOM 159 N ASP A 15 -7.742 14.324 -0.129 1.00 0.00 N ATOM 160 CA ASP A 15 -9.170 14.276 0.179 1.00 0.00 C ATOM 161 C ASP A 15 -9.635 12.828 0.276 1.00 0.00 C ATOM 162 O ASP A 15 -10.799 12.514 0.021 1.00 0.00 O ATOM 163 CB ASP A 15 -9.976 15.019 -0.894 1.00 0.00 C ATOM 164 CG ASP A 15 -9.777 14.444 -2.285 1.00 0.00 C ATOM 165 OD1 ASP A 15 -8.673 14.617 -2.849 1.00 0.00 O ATOM 166 OD2 ASP A 15 -10.719 13.823 -2.825 1.00 0.00 O ATOM 0 H ASP A 15 -7.529 14.315 -1.126 1.00 0.00 H new ATOM 0 HA ASP A 15 -9.336 14.767 1.138 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.035 14.980 -0.638 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.687 16.070 -0.896 1.00 0.00 H new ATOM 171 N MET A 16 -8.702 11.956 0.653 1.00 0.00 N ATOM 172 CA MET A 16 -8.955 10.526 0.790 1.00 0.00 C ATOM 173 C MET A 16 -9.292 9.913 -0.566 1.00 0.00 C ATOM 174 O MET A 16 -9.953 8.877 -0.651 1.00 0.00 O ATOM 175 CB MET A 16 -10.075 10.240 1.799 1.00 0.00 C ATOM 176 CG MET A 16 -10.012 8.834 2.380 1.00 0.00 C ATOM 177 SD MET A 16 -11.538 8.346 3.208 1.00 0.00 S ATOM 178 CE MET A 16 -11.078 6.742 3.862 1.00 0.00 C ATOM 0 H MET A 16 -7.743 12.225 0.873 1.00 0.00 H new ATOM 0 HA MET A 16 -8.043 10.066 1.171 1.00 0.00 H new ATOM 0 HB2 MET A 16 -10.018 10.965 2.611 1.00 0.00 H new ATOM 0 HB3 MET A 16 -11.040 10.382 1.312 1.00 0.00 H new ATOM 0 HG2 MET A 16 -9.796 8.125 1.580 1.00 0.00 H new ATOM 0 HG3 MET A 16 -9.186 8.776 3.089 1.00 0.00 H new ATOM 0 HE1 MET A 16 -11.834 6.409 4.573 1.00 0.00 H new ATOM 0 HE2 MET A 16 -11.006 6.023 3.046 1.00 0.00 H new ATOM 0 HE3 MET A 16 -10.114 6.817 4.366 1.00 0.00 H new ATOM 188 N LYS A 17 -8.822 10.553 -1.628 1.00 0.00 N ATOM 189 CA LYS A 17 -9.061 10.058 -2.976 1.00 0.00 C ATOM 190 C LYS A 17 -8.124 8.897 -3.268 1.00 0.00 C ATOM 191 O LYS A 17 -7.251 8.582 -2.459 1.00 0.00 O ATOM 192 CB LYS A 17 -8.870 11.167 -4.016 1.00 0.00 C ATOM 193 CG LYS A 17 -7.477 11.785 -4.022 1.00 0.00 C ATOM 194 CD LYS A 17 -7.067 12.228 -5.420 1.00 0.00 C ATOM 195 CE LYS A 17 -8.088 13.173 -6.039 1.00 0.00 C ATOM 196 NZ LYS A 17 -8.036 14.532 -5.437 1.00 0.00 N ATOM 0 H LYS A 17 -8.275 11.413 -1.582 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.094 9.716 -3.039 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.079 10.761 -5.006 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.603 11.953 -3.832 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.455 12.641 -3.347 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.756 11.061 -3.643 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.096 12.722 -5.374 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.949 11.352 -6.058 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.909 13.246 -7.112 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.088 12.759 -5.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.894 15.059 -5.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.978 14.451 -4.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.199 15.037 -5.792 1.00 0.00 H new ATOM 210 N PHE A 18 -8.302 8.264 -4.413 1.00 0.00 N ATOM 211 CA PHE A 18 -7.469 7.134 -4.787 1.00 0.00 C ATOM 212 C PHE A 18 -6.156 7.596 -5.403 1.00 0.00 C ATOM 213 O PHE A 18 -6.119 8.029 -6.557 1.00 0.00 O ATOM 214 CB PHE A 18 -8.208 6.222 -5.764 1.00 0.00 C ATOM 215 CG PHE A 18 -9.133 5.240 -5.100 1.00 0.00 C ATOM 216 CD1 PHE A 18 -10.396 5.625 -4.683 1.00 0.00 C ATOM 217 CD2 PHE A 18 -8.738 3.928 -4.898 1.00 0.00 C ATOM 218 CE1 PHE A 18 -11.247 4.719 -4.078 1.00 0.00 C ATOM 219 CE2 PHE A 18 -9.584 3.019 -4.294 1.00 0.00 C ATOM 220 CZ PHE A 18 -10.840 3.415 -3.884 1.00 0.00 C ATOM 0 H PHE A 18 -9.014 8.512 -5.100 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.244 6.575 -3.879 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -8.783 6.837 -6.456 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -7.477 5.673 -6.358 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -10.720 6.644 -4.832 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.756 3.612 -5.217 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -12.230 5.032 -3.757 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -9.263 1.999 -4.143 1.00 0.00 H new ATOM 0 HZ PHE A 18 -11.504 2.706 -3.412 1.00 0.00 H new ATOM 230 N THR A 19 -5.090 7.527 -4.618 1.00 0.00 N ATOM 231 CA THR A 19 -3.768 7.904 -5.090 1.00 0.00 C ATOM 232 C THR A 19 -3.183 6.755 -5.899 1.00 0.00 C ATOM 233 O THR A 19 -2.401 6.954 -6.830 1.00 0.00 O ATOM 234 CB THR A 19 -2.827 8.239 -3.918 1.00 0.00 C ATOM 235 OG1 THR A 19 -3.540 8.148 -2.676 1.00 0.00 O ATOM 236 CG2 THR A 19 -2.244 9.635 -4.075 1.00 0.00 C ATOM 0 H THR A 19 -5.117 7.212 -3.648 1.00 0.00 H new ATOM 0 HA THR A 19 -3.864 8.795 -5.710 1.00 0.00 H new ATOM 0 HB THR A 19 -2.008 7.519 -3.919 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.121 8.738 -2.015 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.583 9.850 -3.236 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.679 9.691 -5.006 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.052 10.366 -4.096 1.00 0.00 H new ATOM 244 N TYR A 20 -3.582 5.548 -5.516 1.00 0.00 N ATOM 245 CA TYR A 20 -3.159 4.330 -6.182 1.00 0.00 C ATOM 246 C TYR A 20 -4.064 3.184 -5.762 1.00 0.00 C ATOM 247 O TYR A 20 -4.464 3.089 -4.599 1.00 0.00 O ATOM 248 CB TYR A 20 -1.698 3.985 -5.878 1.00 0.00 C ATOM 249 CG TYR A 20 -1.196 2.811 -6.691 1.00 0.00 C ATOM 250 CD1 TYR A 20 -1.232 2.845 -8.081 1.00 0.00 C ATOM 251 CD2 TYR A 20 -0.713 1.661 -6.077 1.00 0.00 C ATOM 252 CE1 TYR A 20 -0.796 1.774 -8.834 1.00 0.00 C ATOM 253 CE2 TYR A 20 -0.278 0.582 -6.825 1.00 0.00 C ATOM 254 CZ TYR A 20 -0.321 0.645 -8.202 1.00 0.00 C ATOM 255 OH TYR A 20 0.105 -0.429 -8.950 1.00 0.00 O ATOM 0 H TYR A 20 -4.212 5.390 -4.729 1.00 0.00 H new ATOM 0 HA TYR A 20 -3.236 4.491 -7.257 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.073 4.855 -6.080 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.595 3.758 -4.817 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -1.608 3.726 -8.580 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -0.677 1.609 -4.999 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.827 1.820 -9.913 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.093 -0.305 -6.333 1.00 0.00 H new ATOM 0 HH TYR A 20 0.410 -1.143 -8.353 1.00 0.00 H new ATOM 265 N CYS A 21 -4.396 2.325 -6.707 1.00 0.00 N ATOM 266 CA CYS A 21 -5.258 1.193 -6.432 1.00 0.00 C ATOM 267 C CYS A 21 -4.642 -0.083 -6.976 1.00 0.00 C ATOM 268 O CYS A 21 -4.138 -0.101 -8.098 1.00 0.00 O ATOM 269 CB CYS A 21 -6.634 1.411 -7.062 1.00 0.00 C ATOM 270 SG CYS A 21 -6.927 3.105 -7.622 1.00 0.00 S ATOM 0 H CYS A 21 -4.080 2.391 -7.675 1.00 0.00 H new ATOM 0 HA CYS A 21 -5.371 1.100 -5.352 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.745 0.735 -7.910 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.401 1.141 -6.336 1.00 0.00 H new ATOM 0 HG CYS A 21 -6.860 3.151 -8.919 1.00 0.00 H new ATOM 276 N ASP A 22 -4.659 -1.131 -6.167 1.00 0.00 N ATOM 277 CA ASP A 22 -4.130 -2.424 -6.578 1.00 0.00 C ATOM 278 C ASP A 22 -4.944 -2.954 -7.759 1.00 0.00 C ATOM 279 O ASP A 22 -6.151 -2.726 -7.836 1.00 0.00 O ATOM 280 CB ASP A 22 -4.178 -3.408 -5.404 1.00 0.00 C ATOM 281 CG ASP A 22 -3.454 -4.708 -5.689 1.00 0.00 C ATOM 282 OD1 ASP A 22 -3.995 -5.539 -6.440 1.00 0.00 O ATOM 283 OD2 ASP A 22 -2.338 -4.905 -5.163 1.00 0.00 O ATOM 0 H ASP A 22 -5.035 -1.112 -5.219 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.091 -2.311 -6.887 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.736 -2.938 -4.525 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -5.218 -3.624 -5.161 1.00 0.00 H new ATOM 288 N ASP A 23 -4.282 -3.658 -8.672 1.00 0.00 N ATOM 289 CA ASP A 23 -4.933 -4.205 -9.867 1.00 0.00 C ATOM 290 C ASP A 23 -6.093 -5.146 -9.519 1.00 0.00 C ATOM 291 O ASP A 23 -6.998 -5.353 -10.325 1.00 0.00 O ATOM 292 CB ASP A 23 -3.891 -4.918 -10.749 1.00 0.00 C ATOM 293 CG ASP A 23 -4.197 -6.386 -11.003 1.00 0.00 C ATOM 294 OD1 ASP A 23 -4.907 -6.690 -11.980 1.00 0.00 O ATOM 295 OD2 ASP A 23 -3.705 -7.244 -10.237 1.00 0.00 O ATOM 0 H ASP A 23 -3.286 -3.867 -8.609 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.364 -3.372 -10.422 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.825 -4.400 -11.706 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.913 -4.838 -10.275 1.00 0.00 H new ATOM 300 N ARG A 24 -6.087 -5.673 -8.303 1.00 0.00 N ATOM 301 CA ARG A 24 -7.129 -6.593 -7.858 1.00 0.00 C ATOM 302 C ARG A 24 -8.480 -5.894 -7.673 1.00 0.00 C ATOM 303 O ARG A 24 -9.495 -6.549 -7.429 1.00 0.00 O ATOM 304 CB ARG A 24 -6.700 -7.270 -6.558 1.00 0.00 C ATOM 305 CG ARG A 24 -5.576 -8.276 -6.751 1.00 0.00 C ATOM 306 CD ARG A 24 -4.873 -8.592 -5.444 1.00 0.00 C ATOM 307 NE ARG A 24 -4.365 -9.963 -5.420 1.00 0.00 N ATOM 308 CZ ARG A 24 -4.330 -10.722 -4.329 1.00 0.00 C ATOM 309 NH1 ARG A 24 -4.682 -10.215 -3.153 1.00 0.00 N ATOM 310 NH2 ARG A 24 -3.930 -11.983 -4.412 1.00 0.00 N ATOM 0 H ARG A 24 -5.370 -5.480 -7.603 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.261 -7.344 -8.637 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.379 -6.508 -5.847 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.560 -7.775 -6.118 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.979 -9.194 -7.178 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.854 -7.882 -7.466 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.047 -7.896 -5.297 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.565 -8.446 -4.614 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.017 -10.361 -6.292 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.980 -9.242 -3.086 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.655 -10.799 -2.317 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.649 -12.371 -5.313 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.903 -12.566 -3.575 1.00 0.00 H new ATOM 324 N ILE A 25 -8.501 -4.570 -7.800 1.00 0.00 N ATOM 325 CA ILE A 25 -9.740 -3.811 -7.644 1.00 0.00 C ATOM 326 C ILE A 25 -10.694 -4.068 -8.813 1.00 0.00 C ATOM 327 O ILE A 25 -11.920 -4.018 -8.657 1.00 0.00 O ATOM 328 CB ILE A 25 -9.474 -2.290 -7.512 1.00 0.00 C ATOM 329 CG1 ILE A 25 -10.751 -1.562 -7.078 1.00 0.00 C ATOM 330 CG2 ILE A 25 -8.943 -1.708 -8.815 1.00 0.00 C ATOM 331 CD1 ILE A 25 -10.552 -0.083 -6.821 1.00 0.00 C ATOM 0 H ILE A 25 -7.680 -4.002 -8.009 1.00 0.00 H new ATOM 0 HA ILE A 25 -10.206 -4.157 -6.721 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.711 -2.146 -6.747 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.511 -1.689 -7.849 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.136 -2.031 -6.172 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -8.766 -0.640 -8.691 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.008 -2.202 -9.080 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -9.674 -1.865 -9.608 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -11.499 0.364 -6.518 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -9.816 0.053 -6.028 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -10.197 0.400 -7.732 1.00 0.00 H new ATOM 343 N THR A 26 -10.130 -4.376 -9.974 1.00 0.00 N ATOM 344 CA THR A 26 -10.915 -4.637 -11.170 1.00 0.00 C ATOM 345 C THR A 26 -11.637 -5.978 -11.077 1.00 0.00 C ATOM 346 O THR A 26 -12.555 -6.258 -11.852 1.00 0.00 O ATOM 347 CB THR A 26 -10.016 -4.630 -12.417 1.00 0.00 C ATOM 348 OG1 THR A 26 -8.740 -4.070 -12.085 1.00 0.00 O ATOM 349 CG2 THR A 26 -10.649 -3.822 -13.537 1.00 0.00 C ATOM 0 H THR A 26 -9.122 -4.451 -10.111 1.00 0.00 H new ATOM 0 HA THR A 26 -11.658 -3.844 -11.252 1.00 0.00 H new ATOM 0 HB THR A 26 -9.892 -5.657 -12.759 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.213 -4.729 -11.587 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.994 -3.832 -14.408 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.612 -4.259 -13.802 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.796 -2.794 -13.206 1.00 0.00 H new ATOM 357 N GLU A 27 -11.225 -6.799 -10.118 1.00 0.00 N ATOM 358 CA GLU A 27 -11.824 -8.112 -9.918 1.00 0.00 C ATOM 359 C GLU A 27 -12.909 -8.053 -8.849 1.00 0.00 C ATOM 360 O GLU A 27 -13.586 -9.046 -8.583 1.00 0.00 O ATOM 361 CB GLU A 27 -10.757 -9.127 -9.496 1.00 0.00 C ATOM 362 CG GLU A 27 -9.439 -8.987 -10.239 1.00 0.00 C ATOM 363 CD GLU A 27 -8.456 -10.079 -9.878 1.00 0.00 C ATOM 364 OE1 GLU A 27 -8.480 -11.145 -10.531 1.00 0.00 O ATOM 365 OE2 GLU A 27 -7.655 -9.884 -8.939 1.00 0.00 O ATOM 0 H GLU A 27 -10.475 -6.576 -9.464 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.269 -8.424 -10.863 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.572 -9.020 -8.427 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.146 -10.133 -9.654 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.626 -9.010 -11.313 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.999 -8.016 -10.013 1.00 0.00 H new ATOM 372 N LEU A 28 -13.075 -6.886 -8.239 1.00 0.00 N ATOM 373 CA LEU A 28 -14.066 -6.718 -7.182 1.00 0.00 C ATOM 374 C LEU A 28 -15.046 -5.594 -7.501 1.00 0.00 C ATOM 375 O LEU A 28 -16.256 -5.806 -7.554 1.00 0.00 O ATOM 376 CB LEU A 28 -13.364 -6.432 -5.853 1.00 0.00 C ATOM 377 CG LEU A 28 -12.399 -7.520 -5.387 1.00 0.00 C ATOM 378 CD1 LEU A 28 -11.494 -6.991 -4.286 1.00 0.00 C ATOM 379 CD2 LEU A 28 -13.171 -8.741 -4.906 1.00 0.00 C ATOM 0 H LEU A 28 -12.540 -6.045 -8.456 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.634 -7.645 -7.107 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.815 -5.495 -5.943 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.122 -6.285 -5.083 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.775 -7.817 -6.230 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.813 -7.779 -3.965 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.919 -6.145 -4.663 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.101 -6.669 -3.440 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.470 -9.508 -4.577 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.817 -8.459 -4.075 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.780 -9.131 -5.722 1.00 0.00 H new ATOM 391 N ILE A 29 -14.517 -4.401 -7.719 1.00 0.00 N ATOM 392 CA ILE A 29 -15.350 -3.243 -8.011 1.00 0.00 C ATOM 393 C ILE A 29 -15.588 -3.103 -9.513 1.00 0.00 C ATOM 394 O ILE A 29 -16.677 -2.721 -9.950 1.00 0.00 O ATOM 395 CB ILE A 29 -14.712 -1.953 -7.453 1.00 0.00 C ATOM 396 CG1 ILE A 29 -14.456 -2.107 -5.950 1.00 0.00 C ATOM 397 CG2 ILE A 29 -15.600 -0.749 -7.725 1.00 0.00 C ATOM 398 CD1 ILE A 29 -13.841 -0.885 -5.303 1.00 0.00 C ATOM 0 H ILE A 29 -13.516 -4.208 -7.700 1.00 0.00 H new ATOM 0 HA ILE A 29 -16.312 -3.396 -7.522 1.00 0.00 H new ATOM 0 HB ILE A 29 -13.760 -1.787 -7.958 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -15.399 -2.333 -5.452 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.798 -2.961 -5.789 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -15.130 0.148 -7.323 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -15.739 -0.635 -8.800 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -16.569 -0.896 -7.247 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -13.691 -1.073 -4.240 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -12.881 -0.669 -5.772 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -14.507 -0.032 -5.430 1.00 0.00 H new ATOM 410 N GLY A 30 -14.570 -3.415 -10.300 1.00 0.00 N ATOM 411 CA GLY A 30 -14.699 -3.324 -11.741 1.00 0.00 C ATOM 412 C GLY A 30 -13.981 -2.117 -12.303 1.00 0.00 C ATOM 413 O GLY A 30 -13.673 -2.065 -13.494 1.00 0.00 O ATOM 0 H GLY A 30 -13.658 -3.729 -9.969 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.298 -4.229 -12.198 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.755 -3.273 -12.007 1.00 0.00 H new ATOM 417 N TYR A 31 -13.724 -1.144 -11.440 1.00 0.00 N ATOM 418 CA TYR A 31 -13.028 0.072 -11.835 1.00 0.00 C ATOM 419 C TYR A 31 -11.561 -0.231 -12.096 1.00 0.00 C ATOM 420 O TYR A 31 -10.903 -0.855 -11.266 1.00 0.00 O ATOM 421 CB TYR A 31 -13.128 1.134 -10.734 1.00 0.00 C ATOM 422 CG TYR A 31 -14.350 2.019 -10.816 1.00 0.00 C ATOM 423 CD1 TYR A 31 -14.473 2.975 -11.814 1.00 0.00 C ATOM 424 CD2 TYR A 31 -15.373 1.908 -9.884 1.00 0.00 C ATOM 425 CE1 TYR A 31 -15.583 3.793 -11.882 1.00 0.00 C ATOM 426 CE2 TYR A 31 -16.486 2.723 -9.945 1.00 0.00 C ATOM 427 CZ TYR A 31 -16.586 3.664 -10.946 1.00 0.00 C ATOM 428 OH TYR A 31 -17.696 4.476 -11.012 1.00 0.00 O ATOM 0 H TYR A 31 -13.989 -1.174 -10.456 1.00 0.00 H new ATOM 0 HA TYR A 31 -13.496 0.452 -12.743 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -13.123 0.634 -9.765 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -12.238 1.762 -10.773 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -13.689 3.081 -12.549 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -15.297 1.172 -9.098 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -15.665 4.531 -12.666 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -17.273 2.623 -9.212 1.00 0.00 H new ATOM 0 HH TYR A 31 -18.307 4.255 -10.279 1.00 0.00 H new ATOM 438 N HIS A 32 -11.058 0.185 -13.248 1.00 0.00 N ATOM 439 CA HIS A 32 -9.656 -0.032 -13.579 1.00 0.00 C ATOM 440 C HIS A 32 -8.790 0.783 -12.620 1.00 0.00 C ATOM 441 O HIS A 32 -9.051 1.963 -12.411 1.00 0.00 O ATOM 442 CB HIS A 32 -9.375 0.371 -15.033 1.00 0.00 C ATOM 443 CG HIS A 32 -8.070 -0.146 -15.562 1.00 0.00 C ATOM 444 ND1 HIS A 32 -6.810 0.331 -15.433 1.00 0.00 N flip ATOM 445 CD2 HIS A 32 -7.963 -1.294 -16.313 1.00 0.00 C flip ATOM 446 CE1 HIS A 32 -5.975 -0.528 -16.098 1.00 0.00 C flip ATOM 447 NE2 HIS A 32 -6.696 -1.501 -16.620 1.00 0.00 N flip ATOM 0 H HIS A 32 -11.595 0.672 -13.966 1.00 0.00 H new ATOM 0 HA HIS A 32 -9.418 -1.091 -13.475 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.184 0.004 -15.665 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -9.381 1.458 -15.107 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -8.787 -1.927 -16.606 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -4.903 -0.425 -16.181 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -6.335 -2.282 -17.168 1.00 0.00 H new ATOM 456 N PRO A 33 -7.758 0.161 -12.020 1.00 0.00 N ATOM 457 CA PRO A 33 -6.855 0.809 -11.058 1.00 0.00 C ATOM 458 C PRO A 33 -6.434 2.229 -11.454 1.00 0.00 C ATOM 459 O PRO A 33 -6.506 3.152 -10.641 1.00 0.00 O ATOM 460 CB PRO A 33 -5.626 -0.117 -11.027 1.00 0.00 C ATOM 461 CG PRO A 33 -5.903 -1.215 -12.007 1.00 0.00 C ATOM 462 CD PRO A 33 -7.389 -1.244 -12.207 1.00 0.00 C ATOM 0 HA PRO A 33 -7.350 0.934 -10.095 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -4.722 0.428 -11.299 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.467 -0.519 -10.027 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.388 -1.032 -12.950 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -5.544 -2.172 -11.629 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -7.659 -1.606 -13.199 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -7.884 -1.894 -11.485 1.00 0.00 H new ATOM 470 N GLU A 34 -6.013 2.398 -12.703 1.00 0.00 N ATOM 471 CA GLU A 34 -5.562 3.698 -13.204 1.00 0.00 C ATOM 472 C GLU A 34 -6.721 4.685 -13.385 1.00 0.00 C ATOM 473 O GLU A 34 -6.508 5.894 -13.451 1.00 0.00 O ATOM 474 CB GLU A 34 -4.826 3.519 -14.534 1.00 0.00 C ATOM 475 CG GLU A 34 -3.701 2.495 -14.481 1.00 0.00 C ATOM 476 CD GLU A 34 -2.471 2.999 -13.751 1.00 0.00 C ATOM 477 OE1 GLU A 34 -1.943 4.064 -14.127 1.00 0.00 O ATOM 478 OE2 GLU A 34 -2.015 2.322 -12.803 1.00 0.00 O ATOM 0 H GLU A 34 -5.974 1.648 -13.393 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.887 4.116 -12.457 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.543 3.218 -15.298 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.416 4.480 -14.844 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.063 1.592 -13.990 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.424 2.216 -15.498 1.00 0.00 H new ATOM 485 N GLU A 35 -7.939 4.173 -13.445 1.00 0.00 N ATOM 486 CA GLU A 35 -9.119 5.012 -13.634 1.00 0.00 C ATOM 487 C GLU A 35 -9.494 5.751 -12.355 1.00 0.00 C ATOM 488 O GLU A 35 -10.048 6.850 -12.399 1.00 0.00 O ATOM 489 CB GLU A 35 -10.297 4.160 -14.104 1.00 0.00 C ATOM 490 CG GLU A 35 -10.619 4.332 -15.575 1.00 0.00 C ATOM 491 CD GLU A 35 -11.469 5.553 -15.843 1.00 0.00 C ATOM 492 OE1 GLU A 35 -11.114 6.655 -15.372 1.00 0.00 O ATOM 493 OE2 GLU A 35 -12.500 5.420 -16.526 1.00 0.00 O ATOM 0 H GLU A 35 -8.141 3.176 -13.366 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.879 5.756 -14.394 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.077 3.110 -13.909 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.178 4.416 -13.515 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.690 4.409 -16.140 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.139 3.445 -15.936 1.00 0.00 H new ATOM 500 N LEU A 36 -9.193 5.150 -11.216 1.00 0.00 N ATOM 501 CA LEU A 36 -9.512 5.766 -9.937 1.00 0.00 C ATOM 502 C LEU A 36 -8.436 6.770 -9.544 1.00 0.00 C ATOM 503 O LEU A 36 -8.649 7.612 -8.674 1.00 0.00 O ATOM 504 CB LEU A 36 -9.664 4.707 -8.843 1.00 0.00 C ATOM 505 CG LEU A 36 -10.700 3.621 -9.125 1.00 0.00 C ATOM 506 CD1 LEU A 36 -10.010 2.321 -9.499 1.00 0.00 C ATOM 507 CD2 LEU A 36 -11.599 3.420 -7.917 1.00 0.00 C ATOM 0 H LEU A 36 -8.732 4.243 -11.149 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.461 6.290 -10.045 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -8.696 4.231 -8.685 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.930 5.206 -7.911 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.319 3.938 -9.964 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -10.760 1.555 -9.697 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.403 2.475 -10.391 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.371 1.999 -8.677 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.332 2.643 -8.134 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.996 3.121 -7.060 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -12.116 4.352 -7.689 1.00 0.00 H new ATOM 519 N LEU A 37 -7.294 6.688 -10.214 1.00 0.00 N ATOM 520 CA LEU A 37 -6.171 7.570 -9.933 1.00 0.00 C ATOM 521 C LEU A 37 -6.497 9.017 -10.276 1.00 0.00 C ATOM 522 O LEU A 37 -6.589 9.385 -11.449 1.00 0.00 O ATOM 523 CB LEU A 37 -4.929 7.128 -10.714 1.00 0.00 C ATOM 524 CG LEU A 37 -4.508 5.673 -10.510 1.00 0.00 C ATOM 525 CD1 LEU A 37 -3.147 5.426 -11.133 1.00 0.00 C ATOM 526 CD2 LEU A 37 -4.487 5.323 -9.034 1.00 0.00 C ATOM 0 H LEU A 37 -7.121 6.015 -10.961 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.969 7.506 -8.864 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.112 7.290 -11.776 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.096 7.772 -10.433 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.238 5.031 -11.003 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.860 4.386 -10.980 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.192 5.636 -12.202 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.409 6.078 -10.666 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.185 4.283 -8.911 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.779 5.970 -8.517 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.482 5.464 -8.612 1.00 0.00 H new ATOM 538 N GLY A 38 -6.687 9.827 -9.250 1.00 0.00 N ATOM 539 CA GLY A 38 -6.975 11.230 -9.466 1.00 0.00 C ATOM 540 C GLY A 38 -8.443 11.574 -9.331 1.00 0.00 C ATOM 541 O GLY A 38 -8.809 12.747 -9.381 1.00 0.00 O ATOM 0 H GLY A 38 -6.648 9.541 -8.272 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.404 11.824 -8.752 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.634 11.513 -10.462 1.00 0.00 H new ATOM 545 N ARG A 39 -9.292 10.572 -9.156 1.00 0.00 N ATOM 546 CA ARG A 39 -10.717 10.829 -9.017 1.00 0.00 C ATOM 547 C ARG A 39 -11.121 10.771 -7.549 1.00 0.00 C ATOM 548 O ARG A 39 -10.488 10.077 -6.749 1.00 0.00 O ATOM 549 CB ARG A 39 -11.549 9.848 -9.858 1.00 0.00 C ATOM 550 CG ARG A 39 -11.726 8.473 -9.239 1.00 0.00 C ATOM 551 CD ARG A 39 -12.821 7.686 -9.944 1.00 0.00 C ATOM 552 NE ARG A 39 -12.539 7.493 -11.367 1.00 0.00 N ATOM 553 CZ ARG A 39 -13.479 7.423 -12.315 1.00 0.00 C ATOM 554 NH1 ARG A 39 -14.766 7.517 -11.994 1.00 0.00 N ATOM 555 NH2 ARG A 39 -13.128 7.249 -13.584 1.00 0.00 N ATOM 0 H ARG A 39 -9.025 9.589 -9.107 1.00 0.00 H new ATOM 0 HA ARG A 39 -10.920 11.831 -9.394 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -12.533 10.283 -10.031 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -11.075 9.734 -10.833 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.787 7.923 -9.295 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -11.972 8.577 -8.182 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -12.934 6.714 -9.463 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -13.771 8.209 -9.832 1.00 0.00 H new ATOM 0 HE ARG A 39 -11.564 7.406 -11.654 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -15.041 7.643 -11.020 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -15.478 7.463 -12.722 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -12.142 7.169 -13.834 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -13.844 7.195 -14.308 1.00 0.00 H new ATOM 569 N SER A 40 -12.155 11.522 -7.198 1.00 0.00 N ATOM 570 CA SER A 40 -12.640 11.562 -5.829 1.00 0.00 C ATOM 571 C SER A 40 -13.266 10.230 -5.444 1.00 0.00 C ATOM 572 O SER A 40 -14.121 9.705 -6.158 1.00 0.00 O ATOM 573 CB SER A 40 -13.666 12.684 -5.670 1.00 0.00 C ATOM 574 OG SER A 40 -13.574 13.614 -6.739 1.00 0.00 O ATOM 0 H SER A 40 -12.675 12.113 -7.846 1.00 0.00 H new ATOM 0 HA SER A 40 -11.794 11.753 -5.168 1.00 0.00 H new ATOM 0 HB2 SER A 40 -14.670 12.261 -5.637 1.00 0.00 H new ATOM 0 HB3 SER A 40 -13.505 13.197 -4.722 1.00 0.00 H new ATOM 0 HG SER A 40 -14.273 13.423 -7.399 1.00 0.00 H new ATOM 580 N ALA A 41 -12.842 9.692 -4.315 1.00 0.00 N ATOM 581 CA ALA A 41 -13.362 8.426 -3.836 1.00 0.00 C ATOM 582 C ALA A 41 -14.766 8.617 -3.288 1.00 0.00 C ATOM 583 O ALA A 41 -15.598 7.713 -3.343 1.00 0.00 O ATOM 584 CB ALA A 41 -12.444 7.854 -2.769 1.00 0.00 C ATOM 0 H ALA A 41 -12.137 10.114 -3.711 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.406 7.721 -4.666 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.844 6.903 -2.416 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.451 7.696 -3.190 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.377 8.552 -1.934 1.00 0.00 H new ATOM 590 N TYR A 42 -15.024 9.822 -2.787 1.00 0.00 N ATOM 591 CA TYR A 42 -16.319 10.170 -2.216 1.00 0.00 C ATOM 592 C TYR A 42 -17.434 10.087 -3.253 1.00 0.00 C ATOM 593 O TYR A 42 -18.605 9.933 -2.899 1.00 0.00 O ATOM 594 CB TYR A 42 -16.270 11.577 -1.624 1.00 0.00 C ATOM 595 CG TYR A 42 -16.172 11.598 -0.115 1.00 0.00 C ATOM 596 CD1 TYR A 42 -14.942 11.521 0.524 1.00 0.00 C ATOM 597 CD2 TYR A 42 -17.313 11.701 0.671 1.00 0.00 C ATOM 598 CE1 TYR A 42 -14.853 11.547 1.903 1.00 0.00 C ATOM 599 CE2 TYR A 42 -17.232 11.727 2.047 1.00 0.00 C ATOM 600 CZ TYR A 42 -16.002 11.651 2.658 1.00 0.00 C ATOM 601 OH TYR A 42 -15.925 11.682 4.030 1.00 0.00 O ATOM 0 H TYR A 42 -14.343 10.581 -2.766 1.00 0.00 H new ATOM 0 HA TYR A 42 -16.537 9.448 -1.429 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -15.415 12.108 -2.042 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -17.164 12.121 -1.929 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -14.041 11.440 -0.066 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -18.281 11.762 0.196 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -13.889 11.486 2.386 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -18.130 11.807 2.642 1.00 0.00 H new ATOM 0 HH TYR A 42 -15.999 12.608 4.341 1.00 0.00 H new ATOM 611 N GLU A 43 -17.065 10.172 -4.526 1.00 0.00 N ATOM 612 CA GLU A 43 -18.035 10.112 -5.612 1.00 0.00 C ATOM 613 C GLU A 43 -18.761 8.771 -5.626 1.00 0.00 C ATOM 614 O GLU A 43 -19.952 8.706 -5.917 1.00 0.00 O ATOM 615 CB GLU A 43 -17.347 10.348 -6.953 1.00 0.00 C ATOM 616 CG GLU A 43 -16.908 11.787 -7.159 1.00 0.00 C ATOM 617 CD GLU A 43 -16.282 12.018 -8.517 1.00 0.00 C ATOM 618 OE1 GLU A 43 -16.977 11.821 -9.537 1.00 0.00 O ATOM 619 OE2 GLU A 43 -15.098 12.409 -8.571 1.00 0.00 O ATOM 0 H GLU A 43 -16.098 10.283 -4.831 1.00 0.00 H new ATOM 0 HA GLU A 43 -18.772 10.898 -5.447 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -16.477 9.696 -7.026 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -18.026 10.064 -7.757 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -17.769 12.445 -7.044 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -16.193 12.059 -6.383 1.00 0.00 H new ATOM 626 N PHE A 44 -18.044 7.709 -5.290 1.00 0.00 N ATOM 627 CA PHE A 44 -18.622 6.373 -5.265 1.00 0.00 C ATOM 628 C PHE A 44 -18.464 5.756 -3.882 1.00 0.00 C ATOM 629 O PHE A 44 -18.404 4.535 -3.731 1.00 0.00 O ATOM 630 CB PHE A 44 -17.967 5.483 -6.329 1.00 0.00 C ATOM 631 CG PHE A 44 -16.464 5.530 -6.325 1.00 0.00 C ATOM 632 CD1 PHE A 44 -15.788 6.478 -7.078 1.00 0.00 C ATOM 633 CD2 PHE A 44 -15.726 4.627 -5.575 1.00 0.00 C ATOM 634 CE1 PHE A 44 -14.409 6.526 -7.079 1.00 0.00 C ATOM 635 CE2 PHE A 44 -14.347 4.671 -5.575 1.00 0.00 C ATOM 636 CZ PHE A 44 -13.688 5.622 -6.328 1.00 0.00 C ATOM 0 H PHE A 44 -17.058 7.746 -5.030 1.00 0.00 H new ATOM 0 HA PHE A 44 -19.685 6.451 -5.491 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -18.288 4.453 -6.174 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -18.327 5.785 -7.312 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -16.347 7.187 -7.671 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -16.236 3.881 -4.984 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -13.895 7.271 -7.668 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -13.784 3.962 -4.986 1.00 0.00 H new ATOM 0 HZ PHE A 44 -12.609 5.658 -6.329 1.00 0.00 H new ATOM 646 N TYR A 45 -18.415 6.608 -2.866 1.00 0.00 N ATOM 647 CA TYR A 45 -18.257 6.146 -1.495 1.00 0.00 C ATOM 648 C TYR A 45 -19.573 5.634 -0.927 1.00 0.00 C ATOM 649 O TYR A 45 -20.044 6.119 0.099 1.00 0.00 O ATOM 650 CB TYR A 45 -17.700 7.253 -0.598 1.00 0.00 C ATOM 651 CG TYR A 45 -16.245 7.056 -0.230 1.00 0.00 C ATOM 652 CD1 TYR A 45 -15.562 5.905 -0.607 1.00 0.00 C ATOM 653 CD2 TYR A 45 -15.555 8.022 0.489 1.00 0.00 C ATOM 654 CE1 TYR A 45 -14.234 5.724 -0.276 1.00 0.00 C ATOM 655 CE2 TYR A 45 -14.226 7.848 0.823 1.00 0.00 C ATOM 656 CZ TYR A 45 -13.571 6.698 0.438 1.00 0.00 C ATOM 657 OH TYR A 45 -12.247 6.525 0.767 1.00 0.00 O ATOM 0 H TYR A 45 -18.482 7.621 -2.966 1.00 0.00 H new ATOM 0 HA TYR A 45 -17.544 5.322 -1.515 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -17.812 8.211 -1.105 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -18.294 7.304 0.315 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -16.079 5.140 -1.168 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -16.065 8.924 0.792 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -13.718 4.824 -0.575 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -13.703 8.609 1.383 1.00 0.00 H new ATOM 0 HH TYR A 45 -11.961 7.249 1.363 1.00 0.00 H new ATOM 667 N HIS A 46 -20.149 4.643 -1.606 1.00 0.00 N ATOM 668 CA HIS A 46 -21.403 4.009 -1.187 1.00 0.00 C ATOM 669 C HIS A 46 -22.567 4.996 -1.260 1.00 0.00 C ATOM 670 O HIS A 46 -22.418 6.113 -1.759 1.00 0.00 O ATOM 671 CB HIS A 46 -21.294 3.433 0.240 1.00 0.00 C ATOM 672 CG HIS A 46 -19.942 2.884 0.596 1.00 0.00 C ATOM 673 ND1 HIS A 46 -19.372 3.044 1.841 1.00 0.00 N ATOM 674 CD2 HIS A 46 -19.035 2.202 -0.142 1.00 0.00 C ATOM 675 CE1 HIS A 46 -18.177 2.489 1.851 1.00 0.00 C ATOM 676 NE2 HIS A 46 -17.950 1.971 0.660 1.00 0.00 N ATOM 0 H HIS A 46 -19.760 4.254 -2.465 1.00 0.00 H new ATOM 0 HA HIS A 46 -21.594 3.187 -1.877 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -21.552 4.216 0.953 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -22.034 2.641 0.354 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -19.808 3.518 2.632 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -19.147 1.897 -1.172 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -17.499 2.463 2.691 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -17.102 1.477 0.381 1.00 0.00 H new ATOM 685 N ALA A 47 -23.727 4.575 -0.773 1.00 0.00 N ATOM 686 CA ALA A 47 -24.909 5.427 -0.776 1.00 0.00 C ATOM 687 C ALA A 47 -25.400 5.662 0.647 1.00 0.00 C ATOM 688 O ALA A 47 -25.418 6.793 1.136 1.00 0.00 O ATOM 689 CB ALA A 47 -26.009 4.813 -1.630 1.00 0.00 C ATOM 0 H ALA A 47 -23.875 3.649 -0.371 1.00 0.00 H new ATOM 0 HA ALA A 47 -24.639 6.390 -1.209 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -26.883 5.464 -1.620 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -25.654 4.699 -2.654 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -26.279 3.836 -1.229 1.00 0.00 H new ATOM 695 N LEU A 48 -25.784 4.585 1.315 1.00 0.00 N ATOM 696 CA LEU A 48 -26.267 4.672 2.684 1.00 0.00 C ATOM 697 C LEU A 48 -25.145 4.330 3.655 1.00 0.00 C ATOM 698 O LEU A 48 -25.281 4.488 4.868 1.00 0.00 O ATOM 699 CB LEU A 48 -27.463 3.732 2.899 1.00 0.00 C ATOM 700 CG LEU A 48 -27.156 2.232 2.823 1.00 0.00 C ATOM 701 CD1 LEU A 48 -28.181 1.446 3.622 1.00 0.00 C ATOM 702 CD2 LEU A 48 -27.140 1.754 1.378 1.00 0.00 C ATOM 0 H LEU A 48 -25.770 3.640 0.931 1.00 0.00 H new ATOM 0 HA LEU A 48 -26.598 5.694 2.871 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -27.898 3.945 3.876 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -28.223 3.966 2.154 1.00 0.00 H new ATOM 0 HG LEU A 48 -26.167 2.064 3.250 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -27.952 0.382 3.560 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -28.151 1.764 4.664 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -29.176 1.627 3.216 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -26.920 0.687 1.350 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -28.114 1.936 0.924 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -26.374 2.297 0.824 1.00 0.00 H new ATOM 714 N ASP A 49 -24.033 3.870 3.102 1.00 0.00 N ATOM 715 CA ASP A 49 -22.871 3.489 3.893 1.00 0.00 C ATOM 716 C ASP A 49 -21.755 4.511 3.725 1.00 0.00 C ATOM 717 O ASP A 49 -20.583 4.215 3.973 1.00 0.00 O ATOM 718 CB ASP A 49 -22.364 2.102 3.472 1.00 0.00 C ATOM 719 CG ASP A 49 -23.362 1.344 2.618 1.00 0.00 C ATOM 720 OD1 ASP A 49 -23.580 1.751 1.454 1.00 0.00 O ATOM 721 OD2 ASP A 49 -23.926 0.342 3.105 1.00 0.00 O ATOM 0 H ASP A 49 -23.910 3.750 2.097 1.00 0.00 H new ATOM 0 HA ASP A 49 -23.171 3.456 4.940 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -21.431 2.214 2.919 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -22.138 1.517 4.364 1.00 0.00 H new ATOM 726 N SER A 50 -22.115 5.707 3.284 1.00 0.00 N ATOM 727 CA SER A 50 -21.140 6.771 3.093 1.00 0.00 C ATOM 728 C SER A 50 -20.734 7.350 4.441 1.00 0.00 C ATOM 729 O SER A 50 -19.565 7.674 4.661 1.00 0.00 O ATOM 730 CB SER A 50 -21.712 7.864 2.191 1.00 0.00 C ATOM 731 OG SER A 50 -22.350 7.298 1.060 1.00 0.00 O ATOM 0 H SER A 50 -23.074 5.965 3.052 1.00 0.00 H new ATOM 0 HA SER A 50 -20.256 6.356 2.608 1.00 0.00 H new ATOM 0 HB2 SER A 50 -22.425 8.469 2.752 1.00 0.00 H new ATOM 0 HB3 SER A 50 -20.913 8.531 1.868 1.00 0.00 H new ATOM 0 HG SER A 50 -21.694 6.800 0.529 1.00 0.00 H new ATOM 737 N GLU A 51 -21.706 7.455 5.343 1.00 0.00 N ATOM 738 CA GLU A 51 -21.465 7.975 6.684 1.00 0.00 C ATOM 739 C GLU A 51 -20.428 7.119 7.399 1.00 0.00 C ATOM 740 O GLU A 51 -19.538 7.634 8.075 1.00 0.00 O ATOM 741 CB GLU A 51 -22.767 7.994 7.483 1.00 0.00 C ATOM 742 CG GLU A 51 -23.766 9.028 6.995 1.00 0.00 C ATOM 743 CD GLU A 51 -23.937 10.172 7.970 1.00 0.00 C ATOM 744 OE1 GLU A 51 -22.938 10.582 8.600 1.00 0.00 O ATOM 745 OE2 GLU A 51 -25.074 10.662 8.119 1.00 0.00 O ATOM 0 H GLU A 51 -22.674 7.185 5.167 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.087 8.994 6.602 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -23.227 7.007 7.436 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -22.538 8.189 8.531 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -23.437 9.421 6.033 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -24.730 8.548 6.830 1.00 0.00 H new ATOM 752 N ASN A 52 -20.551 5.808 7.224 1.00 0.00 N ATOM 753 CA ASN A 52 -19.631 4.848 7.823 1.00 0.00 C ATOM 754 C ASN A 52 -18.193 5.142 7.404 1.00 0.00 C ATOM 755 O ASN A 52 -17.276 5.105 8.224 1.00 0.00 O ATOM 756 CB ASN A 52 -20.011 3.424 7.404 1.00 0.00 C ATOM 757 CG ASN A 52 -19.167 2.367 8.091 1.00 0.00 C ATOM 758 OD1 ASN A 52 -18.071 2.038 7.638 1.00 0.00 O ATOM 759 ND2 ASN A 52 -19.681 1.816 9.179 1.00 0.00 N ATOM 0 H ASN A 52 -21.289 5.381 6.664 1.00 0.00 H new ATOM 0 HA ASN A 52 -19.703 4.937 8.907 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -21.062 3.250 7.634 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -19.901 3.326 6.324 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -19.165 1.090 9.675 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -20.593 2.118 9.521 1.00 0.00 H new ATOM 766 N MET A 53 -18.012 5.457 6.124 1.00 0.00 N ATOM 767 CA MET A 53 -16.688 5.756 5.587 1.00 0.00 C ATOM 768 C MET A 53 -16.136 7.041 6.188 1.00 0.00 C ATOM 769 O MET A 53 -14.995 7.081 6.642 1.00 0.00 O ATOM 770 CB MET A 53 -16.741 5.876 4.061 1.00 0.00 C ATOM 771 CG MET A 53 -15.947 4.801 3.336 1.00 0.00 C ATOM 772 SD MET A 53 -14.209 4.777 3.813 1.00 0.00 S ATOM 773 CE MET A 53 -13.585 3.461 2.770 1.00 0.00 C ATOM 0 H MET A 53 -18.766 5.512 5.439 1.00 0.00 H new ATOM 0 HA MET A 53 -16.025 4.934 5.855 1.00 0.00 H new ATOM 0 HB2 MET A 53 -17.781 5.828 3.737 1.00 0.00 H new ATOM 0 HB3 MET A 53 -16.361 6.855 3.769 1.00 0.00 H new ATOM 0 HG2 MET A 53 -16.390 3.827 3.543 1.00 0.00 H new ATOM 0 HG3 MET A 53 -16.022 4.963 2.261 1.00 0.00 H new ATOM 0 HE1 MET A 53 -12.686 3.037 3.218 1.00 0.00 H new ATOM 0 HE2 MET A 53 -14.343 2.684 2.672 1.00 0.00 H new ATOM 0 HE3 MET A 53 -13.346 3.860 1.784 1.00 0.00 H new ATOM 783 N THR A 54 -16.957 8.084 6.198 1.00 0.00 N ATOM 784 CA THR A 54 -16.555 9.376 6.742 1.00 0.00 C ATOM 785 C THR A 54 -16.200 9.266 8.223 1.00 0.00 C ATOM 786 O THR A 54 -15.150 9.747 8.659 1.00 0.00 O ATOM 787 CB THR A 54 -17.676 10.416 6.555 1.00 0.00 C ATOM 788 OG1 THR A 54 -18.051 10.468 5.173 1.00 0.00 O ATOM 789 CG2 THR A 54 -17.235 11.799 7.018 1.00 0.00 C ATOM 0 H THR A 54 -17.909 8.060 5.834 1.00 0.00 H new ATOM 0 HA THR A 54 -15.669 9.701 6.196 1.00 0.00 H new ATOM 0 HB THR A 54 -18.528 10.113 7.163 1.00 0.00 H new ATOM 0 HG1 THR A 54 -17.277 10.734 4.634 1.00 0.00 H new ATOM 0 HG21 THR A 54 -18.050 12.508 6.872 1.00 0.00 H new ATOM 0 HG22 THR A 54 -16.971 11.762 8.075 1.00 0.00 H new ATOM 0 HG23 THR A 54 -16.368 12.117 6.439 1.00 0.00 H new ATOM 797 N LYS A 55 -17.068 8.608 8.983 1.00 0.00 N ATOM 798 CA LYS A 55 -16.861 8.431 10.414 1.00 0.00 C ATOM 799 C LYS A 55 -15.559 7.687 10.689 1.00 0.00 C ATOM 800 O LYS A 55 -14.753 8.113 11.522 1.00 0.00 O ATOM 801 CB LYS A 55 -18.042 7.673 11.031 1.00 0.00 C ATOM 802 CG LYS A 55 -19.101 8.574 11.654 1.00 0.00 C ATOM 803 CD LYS A 55 -19.575 9.652 10.692 1.00 0.00 C ATOM 804 CE LYS A 55 -20.819 10.352 11.213 1.00 0.00 C ATOM 805 NZ LYS A 55 -22.058 9.594 10.895 1.00 0.00 N ATOM 0 H LYS A 55 -17.926 8.186 8.629 1.00 0.00 H new ATOM 0 HA LYS A 55 -16.794 9.418 10.872 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -18.509 7.060 10.260 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -17.664 6.992 11.794 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -19.952 7.969 11.967 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -18.695 9.042 12.551 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -18.780 10.383 10.542 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -19.786 9.207 9.720 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -20.738 10.479 12.293 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -20.883 11.350 10.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -22.713 9.646 11.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -22.511 10.006 10.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -21.818 8.600 10.707 1.00 0.00 H new ATOM 819 N SER A 56 -15.353 6.589 9.972 1.00 0.00 N ATOM 820 CA SER A 56 -14.150 5.785 10.135 1.00 0.00 C ATOM 821 C SER A 56 -12.919 6.563 9.676 1.00 0.00 C ATOM 822 O SER A 56 -11.850 6.454 10.273 1.00 0.00 O ATOM 823 CB SER A 56 -14.273 4.477 9.349 1.00 0.00 C ATOM 824 OG SER A 56 -15.470 3.788 9.686 1.00 0.00 O ATOM 0 H SER A 56 -16.005 6.235 9.272 1.00 0.00 H new ATOM 0 HA SER A 56 -14.035 5.548 11.193 1.00 0.00 H new ATOM 0 HB2 SER A 56 -14.260 4.689 8.280 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.413 3.841 9.558 1.00 0.00 H new ATOM 0 HG SER A 56 -16.193 4.077 9.091 1.00 0.00 H new ATOM 830 N HIS A 57 -13.080 7.358 8.621 1.00 0.00 N ATOM 831 CA HIS A 57 -11.984 8.161 8.087 1.00 0.00 C ATOM 832 C HIS A 57 -11.509 9.176 9.116 1.00 0.00 C ATOM 833 O HIS A 57 -10.315 9.262 9.401 1.00 0.00 O ATOM 834 CB HIS A 57 -12.416 8.883 6.805 1.00 0.00 C ATOM 835 CG HIS A 57 -11.393 9.840 6.265 1.00 0.00 C ATOM 836 ND1 HIS A 57 -11.701 11.121 5.858 1.00 0.00 N ATOM 837 CD2 HIS A 57 -10.061 9.699 6.059 1.00 0.00 C ATOM 838 CE1 HIS A 57 -10.611 11.720 5.426 1.00 0.00 C ATOM 839 NE2 HIS A 57 -9.604 10.881 5.536 1.00 0.00 N ATOM 0 H HIS A 57 -13.961 7.463 8.118 1.00 0.00 H new ATOM 0 HA HIS A 57 -11.160 7.488 7.851 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -12.641 8.139 6.041 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -13.339 9.428 7.001 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -9.470 8.820 6.268 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -10.553 12.729 5.046 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -8.638 11.078 5.274 1.00 0.00 H new ATOM 848 N GLN A 58 -12.446 9.939 9.668 1.00 0.00 N ATOM 849 CA GLN A 58 -12.114 10.952 10.659 1.00 0.00 C ATOM 850 C GLN A 58 -11.445 10.319 11.870 1.00 0.00 C ATOM 851 O GLN A 58 -10.482 10.857 12.411 1.00 0.00 O ATOM 852 CB GLN A 58 -13.367 11.711 11.096 1.00 0.00 C ATOM 853 CG GLN A 58 -13.063 12.903 11.985 1.00 0.00 C ATOM 854 CD GLN A 58 -14.311 13.524 12.569 1.00 0.00 C ATOM 855 OE1 GLN A 58 -14.905 14.425 11.977 1.00 0.00 O ATOM 856 NE2 GLN A 58 -14.713 13.053 13.736 1.00 0.00 N ATOM 0 H GLN A 58 -13.439 9.874 9.446 1.00 0.00 H new ATOM 0 HA GLN A 58 -11.419 11.656 10.201 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -13.904 12.053 10.211 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -14.030 11.029 11.628 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -12.404 12.589 12.795 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -12.523 13.654 11.408 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -14.190 12.305 14.192 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -15.546 13.437 14.181 1.00 0.00 H new ATOM 865 N ASN A 59 -11.961 9.172 12.286 1.00 0.00 N ATOM 866 CA ASN A 59 -11.407 8.457 13.425 1.00 0.00 C ATOM 867 C ASN A 59 -10.000 7.962 13.102 1.00 0.00 C ATOM 868 O ASN A 59 -9.073 8.120 13.896 1.00 0.00 O ATOM 869 CB ASN A 59 -12.306 7.276 13.792 1.00 0.00 C ATOM 870 CG ASN A 59 -11.833 6.539 15.030 1.00 0.00 C ATOM 871 OD1 ASN A 59 -11.228 7.126 15.932 1.00 0.00 O ATOM 872 ND2 ASN A 59 -12.111 5.247 15.085 1.00 0.00 N ATOM 0 H ASN A 59 -12.763 8.716 11.851 1.00 0.00 H new ATOM 0 HA ASN A 59 -11.354 9.138 14.274 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -13.322 7.636 13.955 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -12.345 6.581 12.954 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -11.823 4.697 15.895 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -12.613 4.800 14.318 1.00 0.00 H new ATOM 879 N LEU A 60 -9.856 7.389 11.915 1.00 0.00 N ATOM 880 CA LEU A 60 -8.586 6.852 11.442 1.00 0.00 C ATOM 881 C LEU A 60 -7.483 7.907 11.450 1.00 0.00 C ATOM 882 O LEU A 60 -6.379 7.652 11.934 1.00 0.00 O ATOM 883 CB LEU A 60 -8.766 6.293 10.027 1.00 0.00 C ATOM 884 CG LEU A 60 -7.501 5.759 9.356 1.00 0.00 C ATOM 885 CD1 LEU A 60 -6.855 4.685 10.213 1.00 0.00 C ATOM 886 CD2 LEU A 60 -7.826 5.211 7.973 1.00 0.00 C ATOM 0 H LEU A 60 -10.621 7.283 11.249 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.281 6.057 12.122 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.501 5.489 10.065 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.185 7.078 9.397 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.795 6.582 9.247 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.956 4.317 9.719 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.590 5.105 11.183 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.555 3.861 10.353 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.915 4.834 7.508 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.549 4.400 8.064 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.247 6.005 7.356 1.00 0.00 H new ATOM 898 N CYS A 61 -7.793 9.090 10.938 1.00 0.00 N ATOM 899 CA CYS A 61 -6.822 10.180 10.862 1.00 0.00 C ATOM 900 C CYS A 61 -6.301 10.600 12.237 1.00 0.00 C ATOM 901 O CYS A 61 -5.238 11.218 12.340 1.00 0.00 O ATOM 902 CB CYS A 61 -7.440 11.382 10.150 1.00 0.00 C ATOM 903 SG CYS A 61 -7.863 11.071 8.422 1.00 0.00 S ATOM 0 H CYS A 61 -8.714 9.323 10.566 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.969 9.810 10.294 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -8.340 11.686 10.685 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.743 12.218 10.198 1.00 0.00 H new ATOM 0 HG CYS A 61 -8.881 10.264 8.363 1.00 0.00 H new ATOM 909 N THR A 62 -7.036 10.275 13.292 1.00 0.00 N ATOM 910 CA THR A 62 -6.612 10.635 14.637 1.00 0.00 C ATOM 911 C THR A 62 -6.178 9.411 15.444 1.00 0.00 C ATOM 912 O THR A 62 -5.870 9.520 16.631 1.00 0.00 O ATOM 913 CB THR A 62 -7.726 11.374 15.396 1.00 0.00 C ATOM 914 OG1 THR A 62 -8.867 11.546 14.545 1.00 0.00 O ATOM 915 CG2 THR A 62 -7.239 12.731 15.879 1.00 0.00 C ATOM 0 H THR A 62 -7.920 9.768 13.244 1.00 0.00 H new ATOM 0 HA THR A 62 -5.755 11.299 14.523 1.00 0.00 H new ATOM 0 HB THR A 62 -8.007 10.775 16.263 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.573 12.016 15.036 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.043 13.237 16.413 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.388 12.596 16.547 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.936 13.335 15.023 1.00 0.00 H new ATOM 923 N LYS A 63 -6.139 8.248 14.803 1.00 0.00 N ATOM 924 CA LYS A 63 -5.740 7.018 15.487 1.00 0.00 C ATOM 925 C LYS A 63 -4.516 6.391 14.829 1.00 0.00 C ATOM 926 O LYS A 63 -3.656 5.827 15.504 1.00 0.00 O ATOM 927 CB LYS A 63 -6.886 6.000 15.501 1.00 0.00 C ATOM 928 CG LYS A 63 -8.098 6.443 16.300 1.00 0.00 C ATOM 929 CD LYS A 63 -7.773 6.619 17.774 1.00 0.00 C ATOM 930 CE LYS A 63 -8.942 7.230 18.532 1.00 0.00 C ATOM 931 NZ LYS A 63 -10.160 6.377 18.464 1.00 0.00 N ATOM 0 H LYS A 63 -6.376 8.129 13.818 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.489 7.288 16.513 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.194 5.801 14.474 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.518 5.060 15.911 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.475 7.383 15.897 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.894 5.707 16.189 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.520 5.653 18.210 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.895 7.256 17.881 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.660 7.377 19.575 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.166 8.214 18.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.798 6.620 19.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.647 6.539 17.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.887 5.376 18.536 1.00 0.00 H new ATOM 945 N GLY A 64 -4.443 6.488 13.511 1.00 0.00 N ATOM 946 CA GLY A 64 -3.330 5.917 12.786 1.00 0.00 C ATOM 947 C GLY A 64 -3.736 4.654 12.060 1.00 0.00 C ATOM 948 O GLY A 64 -3.578 4.550 10.846 1.00 0.00 O ATOM 0 H GLY A 64 -5.139 6.954 12.929 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.949 6.644 12.069 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.518 5.696 13.478 1.00 0.00 H new ATOM 952 N GLN A 65 -4.276 3.698 12.802 1.00 0.00 N ATOM 953 CA GLN A 65 -4.722 2.439 12.227 1.00 0.00 C ATOM 954 C GLN A 65 -6.057 2.025 12.836 1.00 0.00 C ATOM 955 O GLN A 65 -6.198 1.964 14.058 1.00 0.00 O ATOM 956 CB GLN A 65 -3.671 1.347 12.448 1.00 0.00 C ATOM 957 CG GLN A 65 -4.093 -0.027 11.951 1.00 0.00 C ATOM 958 CD GLN A 65 -2.971 -1.044 12.033 1.00 0.00 C ATOM 959 OE1 GLN A 65 -2.774 -1.691 13.063 1.00 0.00 O ATOM 960 NE2 GLN A 65 -2.231 -1.196 10.947 1.00 0.00 N ATOM 0 H GLN A 65 -4.416 3.772 13.810 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.856 2.575 11.154 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.749 1.637 11.944 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.446 1.284 13.513 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.941 -0.378 12.539 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.433 0.052 10.918 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.427 -0.640 10.114 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.464 -1.869 10.942 1.00 0.00 H new ATOM 969 N VAL A 66 -7.036 1.762 11.981 1.00 0.00 N ATOM 970 CA VAL A 66 -8.361 1.355 12.429 1.00 0.00 C ATOM 971 C VAL A 66 -8.980 0.390 11.420 1.00 0.00 C ATOM 972 O VAL A 66 -8.652 0.428 10.232 1.00 0.00 O ATOM 973 CB VAL A 66 -9.295 2.578 12.642 1.00 0.00 C ATOM 974 CG1 VAL A 66 -9.906 3.055 11.331 1.00 0.00 C ATOM 975 CG2 VAL A 66 -10.384 2.260 13.657 1.00 0.00 C ATOM 0 H VAL A 66 -6.936 1.824 10.968 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.249 0.852 13.390 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.683 3.389 13.035 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -10.553 3.911 11.521 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -9.111 3.346 10.644 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -10.492 2.249 10.888 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -11.025 3.132 13.789 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -10.981 1.422 13.299 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -9.927 1.998 14.611 1.00 0.00 H new ATOM 985 N VAL A 67 -9.853 -0.484 11.892 1.00 0.00 N ATOM 986 CA VAL A 67 -10.501 -1.450 11.022 1.00 0.00 C ATOM 987 C VAL A 67 -11.960 -1.077 10.796 1.00 0.00 C ATOM 988 O VAL A 67 -12.741 -0.971 11.743 1.00 0.00 O ATOM 989 CB VAL A 67 -10.434 -2.881 11.599 1.00 0.00 C ATOM 990 CG1 VAL A 67 -10.949 -3.901 10.591 1.00 0.00 C ATOM 991 CG2 VAL A 67 -9.019 -3.223 12.034 1.00 0.00 C ATOM 0 H VAL A 67 -10.129 -0.544 12.872 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.962 -1.431 10.075 1.00 0.00 H new ATOM 0 HB VAL A 67 -11.079 -2.919 12.477 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.891 -4.900 11.022 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.985 -3.674 10.340 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.340 -3.860 9.688 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.997 -4.236 12.437 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.349 -3.159 11.176 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.694 -2.520 12.801 1.00 0.00 H new ATOM 1001 N SER A 68 -12.315 -0.858 9.545 1.00 0.00 N ATOM 1002 CA SER A 68 -13.678 -0.519 9.185 1.00 0.00 C ATOM 1003 C SER A 68 -14.438 -1.793 8.854 1.00 0.00 C ATOM 1004 O SER A 68 -13.937 -2.642 8.112 1.00 0.00 O ATOM 1005 CB SER A 68 -13.683 0.442 7.998 1.00 0.00 C ATOM 1006 OG SER A 68 -12.763 1.501 8.209 1.00 0.00 O ATOM 0 H SER A 68 -11.672 -0.909 8.755 1.00 0.00 H new ATOM 0 HA SER A 68 -14.168 -0.022 10.023 1.00 0.00 H new ATOM 0 HB2 SER A 68 -13.423 -0.096 7.086 1.00 0.00 H new ATOM 0 HB3 SER A 68 -14.685 0.847 7.855 1.00 0.00 H new ATOM 0 HG SER A 68 -12.778 2.106 7.438 1.00 0.00 H new ATOM 1012 N GLY A 69 -15.631 -1.925 9.414 1.00 0.00 N ATOM 1013 CA GLY A 69 -16.435 -3.112 9.191 1.00 0.00 C ATOM 1014 C GLY A 69 -16.886 -3.259 7.754 1.00 0.00 C ATOM 1015 O GLY A 69 -16.738 -2.336 6.949 1.00 0.00 O ATOM 0 H GLY A 69 -16.060 -1.228 10.023 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -15.860 -3.993 9.478 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -17.311 -3.078 9.839 1.00 0.00 H new ATOM 1019 N GLN A 70 -17.430 -4.427 7.431 1.00 0.00 N ATOM 1020 CA GLN A 70 -17.911 -4.706 6.087 1.00 0.00 C ATOM 1021 C GLN A 70 -18.989 -3.714 5.687 1.00 0.00 C ATOM 1022 O GLN A 70 -20.017 -3.588 6.358 1.00 0.00 O ATOM 1023 CB GLN A 70 -18.477 -6.120 5.996 1.00 0.00 C ATOM 1024 CG GLN A 70 -17.420 -7.203 5.910 1.00 0.00 C ATOM 1025 CD GLN A 70 -18.031 -8.572 5.700 1.00 0.00 C ATOM 1026 OE1 GLN A 70 -18.337 -9.281 6.657 1.00 0.00 O ATOM 1027 NE2 GLN A 70 -18.220 -8.952 4.447 1.00 0.00 N ATOM 0 H GLN A 70 -17.548 -5.199 8.087 1.00 0.00 H new ATOM 0 HA GLN A 70 -17.063 -4.614 5.408 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -19.103 -6.306 6.868 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -19.122 -6.186 5.120 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -16.738 -6.980 5.090 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -16.828 -7.206 6.825 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -17.952 -8.334 3.681 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -18.633 -9.863 4.247 1.00 0.00 H new ATOM 1036 N TYR A 71 -18.747 -3.014 4.600 1.00 0.00 N ATOM 1037 CA TYR A 71 -19.691 -2.037 4.097 1.00 0.00 C ATOM 1038 C TYR A 71 -20.070 -2.372 2.662 1.00 0.00 C ATOM 1039 O TYR A 71 -19.445 -3.231 2.040 1.00 0.00 O ATOM 1040 CB TYR A 71 -19.094 -0.625 4.174 1.00 0.00 C ATOM 1041 CG TYR A 71 -17.682 -0.506 3.628 1.00 0.00 C ATOM 1042 CD1 TYR A 71 -17.393 -0.824 2.305 1.00 0.00 C ATOM 1043 CD2 TYR A 71 -16.640 -0.060 4.434 1.00 0.00 C ATOM 1044 CE1 TYR A 71 -16.113 -0.707 1.804 1.00 0.00 C ATOM 1045 CE2 TYR A 71 -15.356 0.064 3.937 1.00 0.00 C ATOM 1046 CZ TYR A 71 -15.098 -0.261 2.621 1.00 0.00 C ATOM 1047 OH TYR A 71 -13.826 -0.129 2.117 1.00 0.00 O ATOM 0 H TYR A 71 -17.897 -3.104 4.043 1.00 0.00 H new ATOM 0 HA TYR A 71 -20.588 -2.066 4.716 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -19.741 0.059 3.625 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -19.096 -0.300 5.214 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -18.186 -1.169 1.658 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -16.837 0.194 5.465 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -15.908 -0.964 0.775 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -14.558 0.414 4.576 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.361 0.593 2.589 1.00 0.00 H new ATOM 1057 N ARG A 72 -21.087 -1.702 2.143 1.00 0.00 N ATOM 1058 CA ARG A 72 -21.518 -1.926 0.774 1.00 0.00 C ATOM 1059 C ARG A 72 -20.675 -1.092 -0.183 1.00 0.00 C ATOM 1060 O ARG A 72 -21.007 0.058 -0.469 1.00 0.00 O ATOM 1061 CB ARG A 72 -22.988 -1.557 0.613 1.00 0.00 C ATOM 1062 CG ARG A 72 -23.942 -2.455 1.376 1.00 0.00 C ATOM 1063 CD ARG A 72 -25.357 -1.912 1.309 1.00 0.00 C ATOM 1064 NE ARG A 72 -26.267 -2.644 2.181 1.00 0.00 N ATOM 1065 CZ ARG A 72 -26.514 -2.304 3.445 1.00 0.00 C ATOM 1066 NH1 ARG A 72 -25.911 -1.247 3.991 1.00 0.00 N ATOM 1067 NH2 ARG A 72 -27.355 -3.031 4.167 1.00 0.00 N ATOM 0 H ARG A 72 -21.628 -1.000 2.649 1.00 0.00 H new ATOM 0 HA ARG A 72 -21.390 -2.983 0.540 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -23.131 -0.529 0.945 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -23.245 -1.589 -0.446 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -23.913 -3.462 0.960 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -23.625 -2.531 2.416 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -25.354 -0.859 1.590 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -25.718 -1.967 0.282 1.00 0.00 H new ATOM 0 HE ARG A 72 -26.742 -3.463 1.802 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -25.256 -0.693 3.440 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -26.105 -0.993 4.960 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -27.809 -3.846 3.754 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -27.548 -2.776 5.135 1.00 0.00 H new ATOM 1081 N MET A 73 -19.572 -1.657 -0.651 1.00 0.00 N ATOM 1082 CA MET A 73 -18.691 -0.951 -1.573 1.00 0.00 C ATOM 1083 C MET A 73 -19.343 -0.836 -2.945 1.00 0.00 C ATOM 1084 O MET A 73 -19.690 -1.842 -3.561 1.00 0.00 O ATOM 1085 CB MET A 73 -17.338 -1.656 -1.685 1.00 0.00 C ATOM 1086 CG MET A 73 -16.275 -0.802 -2.356 1.00 0.00 C ATOM 1087 SD MET A 73 -16.078 0.805 -1.554 1.00 0.00 S ATOM 1088 CE MET A 73 -14.888 1.580 -2.645 1.00 0.00 C ATOM 0 H MET A 73 -19.265 -2.599 -0.409 1.00 0.00 H new ATOM 0 HA MET A 73 -18.521 0.051 -1.180 1.00 0.00 H new ATOM 0 HB2 MET A 73 -16.996 -1.934 -0.688 1.00 0.00 H new ATOM 0 HB3 MET A 73 -17.462 -2.581 -2.249 1.00 0.00 H new ATOM 0 HG2 MET A 73 -15.323 -1.332 -2.340 1.00 0.00 H new ATOM 0 HG3 MET A 73 -16.540 -0.653 -3.403 1.00 0.00 H new ATOM 0 HE1 MET A 73 -14.662 2.583 -2.283 1.00 0.00 H new ATOM 0 HE2 MET A 73 -13.973 0.987 -2.666 1.00 0.00 H new ATOM 0 HE3 MET A 73 -15.303 1.642 -3.651 1.00 0.00 H new ATOM 1098 N LEU A 74 -19.499 0.394 -3.416 1.00 0.00 N ATOM 1099 CA LEU A 74 -20.130 0.644 -4.704 1.00 0.00 C ATOM 1100 C LEU A 74 -19.232 0.208 -5.855 1.00 0.00 C ATOM 1101 O LEU A 74 -18.088 0.645 -5.970 1.00 0.00 O ATOM 1102 CB LEU A 74 -20.487 2.125 -4.843 1.00 0.00 C ATOM 1103 CG LEU A 74 -21.253 2.494 -6.116 1.00 0.00 C ATOM 1104 CD1 LEU A 74 -22.590 1.769 -6.165 1.00 0.00 C ATOM 1105 CD2 LEU A 74 -21.456 4.000 -6.194 1.00 0.00 C ATOM 0 H LEU A 74 -19.197 1.235 -2.924 1.00 0.00 H new ATOM 0 HA LEU A 74 -21.045 0.053 -4.748 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -21.084 2.421 -3.980 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -19.567 2.709 -4.810 1.00 0.00 H new ATOM 0 HG LEU A 74 -20.664 2.180 -6.978 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -23.120 2.044 -7.077 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -22.421 0.692 -6.154 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -23.189 2.051 -5.299 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -22.002 4.247 -7.104 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -22.025 4.336 -5.327 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -20.486 4.498 -6.206 1.00 0.00 H new ATOM 1117 N ALA A 75 -19.765 -0.666 -6.695 1.00 0.00 N ATOM 1118 CA ALA A 75 -19.044 -1.174 -7.846 1.00 0.00 C ATOM 1119 C ALA A 75 -19.261 -0.278 -9.061 1.00 0.00 C ATOM 1120 O ALA A 75 -19.992 0.709 -8.993 1.00 0.00 O ATOM 1121 CB ALA A 75 -19.482 -2.597 -8.151 1.00 0.00 C ATOM 0 H ALA A 75 -20.708 -1.041 -6.596 1.00 0.00 H new ATOM 0 HA ALA A 75 -17.979 -1.176 -7.612 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -18.934 -2.969 -9.017 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -19.276 -3.234 -7.291 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -20.551 -2.611 -8.364 1.00 0.00 H new ATOM 1127 N LYS A 76 -18.651 -0.649 -10.180 1.00 0.00 N ATOM 1128 CA LYS A 76 -18.754 0.124 -11.418 1.00 0.00 C ATOM 1129 C LYS A 76 -20.068 -0.156 -12.154 1.00 0.00 C ATOM 1130 O LYS A 76 -20.283 0.324 -13.266 1.00 0.00 O ATOM 1131 CB LYS A 76 -17.562 -0.205 -12.324 1.00 0.00 C ATOM 1132 CG LYS A 76 -17.255 0.864 -13.364 1.00 0.00 C ATOM 1133 CD LYS A 76 -16.103 0.447 -14.264 1.00 0.00 C ATOM 1134 CE LYS A 76 -16.516 -0.649 -15.234 1.00 0.00 C ATOM 1135 NZ LYS A 76 -17.298 -0.110 -16.378 1.00 0.00 N ATOM 0 H LYS A 76 -18.075 -1.487 -10.258 1.00 0.00 H new ATOM 0 HA LYS A 76 -18.743 1.183 -11.160 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -16.679 -0.356 -11.703 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -17.758 -1.148 -12.835 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -18.142 1.051 -13.969 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -17.007 1.800 -12.864 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -15.746 1.312 -14.823 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -15.271 0.097 -13.652 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -15.627 -1.156 -15.609 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -17.111 -1.395 -14.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -17.561 -0.888 -17.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -18.159 0.352 -16.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -16.722 0.583 -16.896 1.00 0.00 H new ATOM 1149 N HIS A 77 -20.946 -0.927 -11.525 1.00 0.00 N ATOM 1150 CA HIS A 77 -22.233 -1.272 -12.126 1.00 0.00 C ATOM 1151 C HIS A 77 -23.365 -1.137 -11.114 1.00 0.00 C ATOM 1152 O HIS A 77 -24.374 -1.831 -11.203 1.00 0.00 O ATOM 1153 CB HIS A 77 -22.207 -2.699 -12.698 1.00 0.00 C ATOM 1154 CG HIS A 77 -21.666 -3.735 -11.759 1.00 0.00 C ATOM 1155 ND1 HIS A 77 -22.436 -4.382 -10.813 1.00 0.00 N ATOM 1156 CD2 HIS A 77 -20.415 -4.237 -11.624 1.00 0.00 C ATOM 1157 CE1 HIS A 77 -21.681 -5.229 -10.140 1.00 0.00 C ATOM 1158 NE2 HIS A 77 -20.454 -5.159 -10.613 1.00 0.00 N ATOM 0 H HIS A 77 -20.793 -1.326 -10.599 1.00 0.00 H new ATOM 0 HA HIS A 77 -22.413 -0.572 -12.942 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -23.220 -2.980 -12.985 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -21.606 -2.702 -13.607 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -19.548 -3.961 -12.206 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -22.013 -5.871 -9.337 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -19.659 -5.705 -10.279 1.00 0.00 H new ATOM 1167 N GLY A 78 -23.189 -0.245 -10.148 1.00 0.00 N ATOM 1168 CA GLY A 78 -24.212 -0.036 -9.137 1.00 0.00 C ATOM 1169 C GLY A 78 -24.372 -1.218 -8.200 1.00 0.00 C ATOM 1170 O GLY A 78 -25.466 -1.484 -7.701 1.00 0.00 O ATOM 0 H GLY A 78 -22.358 0.338 -10.045 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -23.963 0.851 -8.554 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -25.165 0.162 -9.628 1.00 0.00 H new ATOM 1174 N GLY A 79 -23.284 -1.932 -7.967 1.00 0.00 N ATOM 1175 CA GLY A 79 -23.324 -3.072 -7.074 1.00 0.00 C ATOM 1176 C GLY A 79 -22.737 -2.719 -5.728 1.00 0.00 C ATOM 1177 O GLY A 79 -21.980 -1.757 -5.629 1.00 0.00 O ATOM 0 H GLY A 79 -22.371 -1.743 -8.381 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -24.354 -3.407 -6.950 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -22.769 -3.902 -7.511 1.00 0.00 H new ATOM 1181 N TYR A 80 -23.080 -3.470 -4.695 1.00 0.00 N ATOM 1182 CA TYR A 80 -22.564 -3.190 -3.359 1.00 0.00 C ATOM 1183 C TYR A 80 -21.819 -4.391 -2.783 1.00 0.00 C ATOM 1184 O TYR A 80 -22.419 -5.284 -2.195 1.00 0.00 O ATOM 1185 CB TYR A 80 -23.708 -2.775 -2.435 1.00 0.00 C ATOM 1186 CG TYR A 80 -24.288 -1.419 -2.770 1.00 0.00 C ATOM 1187 CD1 TYR A 80 -23.548 -0.260 -2.581 1.00 0.00 C ATOM 1188 CD2 TYR A 80 -25.572 -1.300 -3.281 1.00 0.00 C ATOM 1189 CE1 TYR A 80 -24.073 0.979 -2.890 1.00 0.00 C ATOM 1190 CE2 TYR A 80 -26.104 -0.065 -3.595 1.00 0.00 C ATOM 1191 CZ TYR A 80 -25.351 1.070 -3.398 1.00 0.00 C ATOM 1192 OH TYR A 80 -25.880 2.302 -3.710 1.00 0.00 O ATOM 0 H TYR A 80 -23.708 -4.272 -4.751 1.00 0.00 H new ATOM 0 HA TYR A 80 -21.851 -2.369 -3.436 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -24.499 -3.524 -2.489 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -23.349 -2.764 -1.406 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -22.545 -0.328 -2.186 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -26.166 -2.189 -3.436 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -23.486 1.872 -2.735 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -27.105 0.010 -3.993 1.00 0.00 H new ATOM 0 HH TYR A 80 -26.789 2.189 -4.058 1.00 0.00 H new ATOM 1202 N VAL A 81 -20.506 -4.399 -2.948 1.00 0.00 N ATOM 1203 CA VAL A 81 -19.672 -5.493 -2.455 1.00 0.00 C ATOM 1204 C VAL A 81 -19.435 -5.364 -0.953 1.00 0.00 C ATOM 1205 O VAL A 81 -18.924 -4.345 -0.486 1.00 0.00 O ATOM 1206 CB VAL A 81 -18.305 -5.533 -3.174 1.00 0.00 C ATOM 1207 CG1 VAL A 81 -17.715 -6.932 -3.126 1.00 0.00 C ATOM 1208 CG2 VAL A 81 -18.427 -5.055 -4.612 1.00 0.00 C ATOM 0 H VAL A 81 -19.989 -3.658 -3.421 1.00 0.00 H new ATOM 0 HA VAL A 81 -20.210 -6.418 -2.663 1.00 0.00 H new ATOM 0 HB VAL A 81 -17.632 -4.855 -2.650 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -16.753 -6.939 -3.638 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -17.576 -7.233 -2.088 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -18.393 -7.630 -3.618 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -17.449 -5.094 -5.093 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -19.123 -5.698 -5.151 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -18.797 -4.030 -4.624 1.00 0.00 H new ATOM 1218 N TRP A 82 -19.808 -6.394 -0.201 1.00 0.00 N ATOM 1219 CA TRP A 82 -19.627 -6.392 1.248 1.00 0.00 C ATOM 1220 C TRP A 82 -18.188 -6.753 1.607 1.00 0.00 C ATOM 1221 O TRP A 82 -17.862 -7.923 1.816 1.00 0.00 O ATOM 1222 CB TRP A 82 -20.586 -7.380 1.917 1.00 0.00 C ATOM 1223 CG TRP A 82 -21.957 -6.832 2.156 1.00 0.00 C ATOM 1224 CD1 TRP A 82 -23.004 -6.831 1.283 1.00 0.00 C ATOM 1225 CD2 TRP A 82 -22.434 -6.210 3.355 1.00 0.00 C ATOM 1226 NE1 TRP A 82 -24.104 -6.252 1.868 1.00 0.00 N ATOM 1227 CE2 TRP A 82 -23.778 -5.861 3.137 1.00 0.00 C ATOM 1228 CE3 TRP A 82 -21.855 -5.917 4.590 1.00 0.00 C ATOM 1229 CZ2 TRP A 82 -24.553 -5.234 4.108 1.00 0.00 C ATOM 1230 CZ3 TRP A 82 -22.624 -5.293 5.554 1.00 0.00 C ATOM 1231 CH2 TRP A 82 -23.961 -4.959 5.309 1.00 0.00 C ATOM 0 H TRP A 82 -20.238 -7.242 -0.570 1.00 0.00 H new ATOM 0 HA TRP A 82 -19.846 -5.388 1.612 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -20.666 -8.271 1.294 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -20.161 -7.694 2.870 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -22.973 -7.227 0.279 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -25.016 -6.133 1.427 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -20.825 -6.173 4.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -25.584 -4.974 3.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -22.186 -5.059 6.513 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -24.536 -4.474 6.084 1.00 0.00 H new ATOM 1242 N LEU A 83 -17.333 -5.746 1.687 1.00 0.00 N ATOM 1243 CA LEU A 83 -15.926 -5.963 1.995 1.00 0.00 C ATOM 1244 C LEU A 83 -15.506 -5.204 3.251 1.00 0.00 C ATOM 1245 O LEU A 83 -16.057 -4.147 3.561 1.00 0.00 O ATOM 1246 CB LEU A 83 -15.067 -5.527 0.803 1.00 0.00 C ATOM 1247 CG LEU A 83 -14.422 -6.664 -0.001 1.00 0.00 C ATOM 1248 CD1 LEU A 83 -15.453 -7.715 -0.389 1.00 0.00 C ATOM 1249 CD2 LEU A 83 -13.735 -6.112 -1.242 1.00 0.00 C ATOM 0 H LEU A 83 -17.588 -4.769 1.543 1.00 0.00 H new ATOM 0 HA LEU A 83 -15.777 -7.026 2.185 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -15.686 -4.935 0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -14.277 -4.871 1.168 1.00 0.00 H new ATOM 0 HG LEU A 83 -13.674 -7.142 0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -14.968 -8.508 -0.958 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -15.900 -8.136 0.512 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -16.230 -7.255 -0.999 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -13.282 -6.930 -1.802 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -14.469 -5.606 -1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.961 -5.404 -0.945 1.00 0.00 H new ATOM 1261 N GLU A 84 -14.543 -5.767 3.974 1.00 0.00 N ATOM 1262 CA GLU A 84 -14.017 -5.159 5.193 1.00 0.00 C ATOM 1263 C GLU A 84 -12.684 -4.499 4.866 1.00 0.00 C ATOM 1264 O GLU A 84 -11.942 -5.006 4.033 1.00 0.00 O ATOM 1265 CB GLU A 84 -13.839 -6.229 6.275 1.00 0.00 C ATOM 1266 CG GLU A 84 -13.718 -5.671 7.683 1.00 0.00 C ATOM 1267 CD GLU A 84 -13.989 -6.713 8.748 1.00 0.00 C ATOM 1268 OE1 GLU A 84 -15.170 -6.924 9.093 1.00 0.00 O ATOM 1269 OE2 GLU A 84 -13.023 -7.324 9.250 1.00 0.00 O ATOM 0 H GLU A 84 -14.105 -6.656 3.733 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.712 -4.409 5.571 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -14.687 -6.913 6.238 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.948 -6.814 6.049 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.716 -5.265 7.824 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.417 -4.844 7.803 1.00 0.00 H new ATOM 1276 N THR A 85 -12.363 -3.382 5.500 1.00 0.00 N ATOM 1277 CA THR A 85 -11.117 -2.697 5.180 1.00 0.00 C ATOM 1278 C THR A 85 -10.412 -2.120 6.407 1.00 0.00 C ATOM 1279 O THR A 85 -11.021 -1.444 7.234 1.00 0.00 O ATOM 1280 CB THR A 85 -11.381 -1.559 4.173 1.00 0.00 C ATOM 1281 OG1 THR A 85 -12.273 -2.016 3.149 1.00 0.00 O ATOM 1282 CG2 THR A 85 -10.089 -1.069 3.534 1.00 0.00 C ATOM 0 H THR A 85 -12.931 -2.938 6.222 1.00 0.00 H new ATOM 0 HA THR A 85 -10.458 -3.450 4.749 1.00 0.00 H new ATOM 0 HB THR A 85 -11.830 -0.728 4.717 1.00 0.00 H new ATOM 0 HG1 THR A 85 -12.809 -1.264 2.823 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.312 -0.267 2.830 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.419 -0.696 4.308 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.609 -1.893 3.005 1.00 0.00 H new ATOM 1290 N GLN A 86 -9.117 -2.393 6.507 1.00 0.00 N ATOM 1291 CA GLN A 86 -8.300 -1.878 7.598 1.00 0.00 C ATOM 1292 C GLN A 86 -7.426 -0.749 7.069 1.00 0.00 C ATOM 1293 O GLN A 86 -6.703 -0.929 6.091 1.00 0.00 O ATOM 1294 CB GLN A 86 -7.427 -2.981 8.203 1.00 0.00 C ATOM 1295 CG GLN A 86 -6.562 -2.502 9.361 1.00 0.00 C ATOM 1296 CD GLN A 86 -5.807 -3.626 10.043 1.00 0.00 C ATOM 1297 OE1 GLN A 86 -5.409 -4.629 9.279 1.00 0.00 O flip ATOM 1298 NE2 GLN A 86 -5.579 -3.586 11.252 1.00 0.00 N flip ATOM 0 H GLN A 86 -8.607 -2.973 5.840 1.00 0.00 H new ATOM 0 HA GLN A 86 -8.955 -1.505 8.385 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.068 -3.792 8.549 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -6.784 -3.393 7.425 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -5.849 -1.764 8.993 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -7.193 -1.999 10.094 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -5.904 -2.794 11.806 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.065 -4.345 11.700 1.00 0.00 H new ATOM 1307 N GLY A 87 -7.491 0.408 7.702 1.00 0.00 N ATOM 1308 CA GLY A 87 -6.710 1.534 7.237 1.00 0.00 C ATOM 1309 C GLY A 87 -5.568 1.892 8.162 1.00 0.00 C ATOM 1310 O GLY A 87 -5.701 1.820 9.381 1.00 0.00 O ATOM 0 H GLY A 87 -8.066 0.589 8.525 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.310 1.307 6.249 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.363 2.399 7.126 1.00 0.00 H new ATOM 1314 N THR A 88 -4.437 2.250 7.570 1.00 0.00 N ATOM 1315 CA THR A 88 -3.257 2.653 8.321 1.00 0.00 C ATOM 1316 C THR A 88 -2.615 3.875 7.661 1.00 0.00 C ATOM 1317 O THR A 88 -2.084 3.784 6.554 1.00 0.00 O ATOM 1318 CB THR A 88 -2.220 1.515 8.403 1.00 0.00 C ATOM 1319 OG1 THR A 88 -2.882 0.270 8.658 1.00 0.00 O ATOM 1320 CG2 THR A 88 -1.198 1.786 9.501 1.00 0.00 C ATOM 0 H THR A 88 -4.312 2.269 6.558 1.00 0.00 H new ATOM 0 HA THR A 88 -3.576 2.898 9.334 1.00 0.00 H new ATOM 0 HB THR A 88 -1.696 1.462 7.449 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.370 -0.462 8.255 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.478 0.968 9.538 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.676 2.720 9.290 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.708 1.864 10.461 1.00 0.00 H new ATOM 1328 N VAL A 89 -2.686 5.013 8.330 1.00 0.00 N ATOM 1329 CA VAL A 89 -2.123 6.248 7.801 1.00 0.00 C ATOM 1330 C VAL A 89 -0.627 6.330 8.084 1.00 0.00 C ATOM 1331 O VAL A 89 -0.203 6.332 9.241 1.00 0.00 O ATOM 1332 CB VAL A 89 -2.814 7.491 8.405 1.00 0.00 C ATOM 1333 CG1 VAL A 89 -2.380 8.756 7.680 1.00 0.00 C ATOM 1334 CG2 VAL A 89 -4.328 7.343 8.365 1.00 0.00 C ATOM 0 H VAL A 89 -3.129 5.110 9.244 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.292 6.236 6.724 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.508 7.573 9.448 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.879 9.618 8.122 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.300 8.875 7.771 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.649 8.682 6.626 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.792 8.230 8.796 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.655 7.228 7.332 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.623 6.465 8.939 1.00 0.00 H new ATOM 1344 N ILE A 90 0.170 6.388 7.028 1.00 0.00 N ATOM 1345 CA ILE A 90 1.610 6.484 7.181 1.00 0.00 C ATOM 1346 C ILE A 90 2.020 7.957 7.249 1.00 0.00 C ATOM 1347 O ILE A 90 1.436 8.805 6.570 1.00 0.00 O ATOM 1348 CB ILE A 90 2.359 5.741 6.040 1.00 0.00 C ATOM 1349 CG1 ILE A 90 3.713 5.239 6.541 1.00 0.00 C ATOM 1350 CG2 ILE A 90 2.539 6.619 4.806 1.00 0.00 C ATOM 1351 CD1 ILE A 90 3.605 4.168 7.604 1.00 0.00 C ATOM 0 H ILE A 90 -0.155 6.370 6.061 1.00 0.00 H new ATOM 0 HA ILE A 90 1.894 5.994 8.112 1.00 0.00 H new ATOM 0 HB ILE A 90 1.746 4.890 5.743 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.281 4.846 5.697 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.278 6.081 6.941 1.00 0.00 H new ATOM 0 HG21 ILE A 90 3.067 6.059 4.035 1.00 0.00 H new ATOM 0 HG22 ILE A 90 1.562 6.922 4.430 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.117 7.505 5.071 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.604 3.859 7.912 1.00 0.00 H new ATOM 0 HD12 ILE A 90 3.065 4.563 8.465 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.068 3.309 7.202 1.00 0.00 H new ATOM 1363 N TYR A 91 2.992 8.268 8.092 1.00 0.00 N ATOM 1364 CA TYR A 91 3.445 9.643 8.250 1.00 0.00 C ATOM 1365 C TYR A 91 4.802 9.859 7.595 1.00 0.00 C ATOM 1366 O TYR A 91 5.616 8.940 7.503 1.00 0.00 O ATOM 1367 CB TYR A 91 3.523 10.014 9.734 1.00 0.00 C ATOM 1368 CG TYR A 91 2.180 10.306 10.373 1.00 0.00 C ATOM 1369 CD1 TYR A 91 1.246 9.297 10.584 1.00 0.00 C ATOM 1370 CD2 TYR A 91 1.852 11.595 10.774 1.00 0.00 C ATOM 1371 CE1 TYR A 91 0.026 9.565 11.178 1.00 0.00 C ATOM 1372 CE2 TYR A 91 0.633 11.872 11.366 1.00 0.00 C ATOM 1373 CZ TYR A 91 -0.277 10.853 11.567 1.00 0.00 C ATOM 1374 OH TYR A 91 -1.490 11.120 12.165 1.00 0.00 O ATOM 0 H TYR A 91 3.482 7.590 8.676 1.00 0.00 H new ATOM 0 HA TYR A 91 2.719 10.287 7.755 1.00 0.00 H new ATOM 0 HB2 TYR A 91 4.001 9.198 10.276 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.163 10.889 9.845 1.00 0.00 H new ATOM 0 HD1 TYR A 91 1.477 8.287 10.279 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.561 12.395 10.621 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -0.686 8.769 11.337 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.394 12.881 11.670 1.00 0.00 H new ATOM 0 HH TYR A 91 -1.546 12.075 12.379 1.00 0.00 H new ATOM 1384 N ASN A 92 5.026 11.076 7.128 1.00 0.00 N ATOM 1385 CA ASN A 92 6.281 11.451 6.495 1.00 0.00 C ATOM 1386 C ASN A 92 7.324 11.740 7.578 1.00 0.00 C ATOM 1387 O ASN A 92 7.082 12.555 8.465 1.00 0.00 O ATOM 1388 CB ASN A 92 6.059 12.680 5.604 1.00 0.00 C ATOM 1389 CG ASN A 92 7.341 13.201 4.993 1.00 0.00 C ATOM 1390 OD1 ASN A 92 8.037 14.014 5.598 1.00 0.00 O ATOM 1391 ND2 ASN A 92 7.656 12.750 3.789 1.00 0.00 N ATOM 0 H ASN A 92 4.343 11.832 7.177 1.00 0.00 H new ATOM 0 HA ASN A 92 6.644 10.636 5.869 1.00 0.00 H new ATOM 0 HB2 ASN A 92 5.360 12.424 4.808 1.00 0.00 H new ATOM 0 HB3 ASN A 92 5.595 13.471 6.193 1.00 0.00 H new ATOM 0 HD21 ASN A 92 8.505 13.077 3.328 1.00 0.00 H new ATOM 0 HD22 ASN A 92 7.050 12.075 3.322 1.00 0.00 H new ATOM 1398 N PRO A 93 8.492 11.081 7.518 1.00 0.00 N ATOM 1399 CA PRO A 93 9.555 11.237 8.526 1.00 0.00 C ATOM 1400 C PRO A 93 10.408 12.502 8.370 1.00 0.00 C ATOM 1401 O PRO A 93 11.349 12.716 9.134 1.00 0.00 O ATOM 1402 CB PRO A 93 10.410 9.992 8.304 1.00 0.00 C ATOM 1403 CG PRO A 93 10.261 9.685 6.854 1.00 0.00 C ATOM 1404 CD PRO A 93 8.869 10.120 6.467 1.00 0.00 C ATOM 0 HA PRO A 93 9.132 11.341 9.525 1.00 0.00 H new ATOM 0 HB2 PRO A 93 11.452 10.176 8.565 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.068 9.162 8.922 1.00 0.00 H new ATOM 0 HG2 PRO A 93 11.011 10.214 6.266 1.00 0.00 H new ATOM 0 HG3 PRO A 93 10.402 8.621 6.666 1.00 0.00 H new ATOM 0 HD2 PRO A 93 8.855 10.582 5.480 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.181 9.275 6.433 1.00 0.00 H new ATOM 1412 N ARG A 94 10.093 13.335 7.392 1.00 0.00 N ATOM 1413 CA ARG A 94 10.854 14.561 7.182 1.00 0.00 C ATOM 1414 C ARG A 94 10.141 15.755 7.803 1.00 0.00 C ATOM 1415 O ARG A 94 10.683 16.426 8.679 1.00 0.00 O ATOM 1416 CB ARG A 94 11.088 14.821 5.691 1.00 0.00 C ATOM 1417 CG ARG A 94 11.923 16.066 5.419 1.00 0.00 C ATOM 1418 CD ARG A 94 12.029 16.365 3.932 1.00 0.00 C ATOM 1419 NE ARG A 94 12.799 15.347 3.222 1.00 0.00 N ATOM 1420 CZ ARG A 94 14.087 15.473 2.900 1.00 0.00 C ATOM 1421 NH1 ARG A 94 14.757 16.579 3.213 1.00 0.00 N ATOM 1422 NH2 ARG A 94 14.709 14.489 2.267 1.00 0.00 N ATOM 0 H ARG A 94 9.325 13.190 6.736 1.00 0.00 H new ATOM 0 HA ARG A 94 11.820 14.431 7.669 1.00 0.00 H new ATOM 0 HB2 ARG A 94 11.585 13.956 5.252 1.00 0.00 H new ATOM 0 HB3 ARG A 94 10.124 14.922 5.192 1.00 0.00 H new ATOM 0 HG2 ARG A 94 11.478 16.920 5.930 1.00 0.00 H new ATOM 0 HG3 ARG A 94 12.922 15.931 5.834 1.00 0.00 H new ATOM 0 HD2 ARG A 94 11.029 16.428 3.503 1.00 0.00 H new ATOM 0 HD3 ARG A 94 12.498 17.339 3.791 1.00 0.00 H new ATOM 0 HE ARG A 94 12.322 14.486 2.956 1.00 0.00 H new ATOM 0 HH11 ARG A 94 14.286 17.339 3.703 1.00 0.00 H new ATOM 0 HH12 ARG A 94 15.742 16.667 2.963 1.00 0.00 H new ATOM 0 HH21 ARG A 94 14.203 13.637 2.027 1.00 0.00 H new ATOM 0 HH22 ARG A 94 15.694 14.584 2.020 1.00 0.00 H new ATOM 1436 N ASN A 95 8.918 16.007 7.354 1.00 0.00 N ATOM 1437 CA ASN A 95 8.137 17.134 7.855 1.00 0.00 C ATOM 1438 C ASN A 95 7.174 16.704 8.951 1.00 0.00 C ATOM 1439 O ASN A 95 6.485 17.539 9.537 1.00 0.00 O ATOM 1440 CB ASN A 95 7.360 17.794 6.715 1.00 0.00 C ATOM 1441 CG ASN A 95 7.828 19.210 6.442 1.00 0.00 C ATOM 1442 OD1 ASN A 95 8.776 19.423 5.685 1.00 0.00 O ATOM 1443 ND2 ASN A 95 7.171 20.184 7.051 1.00 0.00 N ATOM 0 H ASN A 95 8.445 15.448 6.645 1.00 0.00 H new ATOM 0 HA ASN A 95 8.837 17.853 8.280 1.00 0.00 H new ATOM 0 HB2 ASN A 95 7.470 17.197 5.810 1.00 0.00 H new ATOM 0 HB3 ASN A 95 6.298 17.806 6.962 1.00 0.00 H new ATOM 0 HD21 ASN A 95 7.444 21.155 6.901 1.00 0.00 H new ATOM 0 HD22 ASN A 95 6.391 19.964 7.670 1.00 0.00 H new ATOM 1450 N LEU A 96 7.132 15.400 9.217 1.00 0.00 N ATOM 1451 CA LEU A 96 6.257 14.836 10.244 1.00 0.00 C ATOM 1452 C LEU A 96 4.800 15.207 9.984 1.00 0.00 C ATOM 1453 O LEU A 96 4.219 16.042 10.679 1.00 0.00 O ATOM 1454 CB LEU A 96 6.694 15.295 11.640 1.00 0.00 C ATOM 1455 CG LEU A 96 8.098 14.852 12.056 1.00 0.00 C ATOM 1456 CD1 LEU A 96 8.433 15.368 13.445 1.00 0.00 C ATOM 1457 CD2 LEU A 96 8.212 13.337 12.008 1.00 0.00 C ATOM 0 H LEU A 96 7.700 14.707 8.730 1.00 0.00 H new ATOM 0 HA LEU A 96 6.341 13.750 10.200 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.646 16.383 11.680 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.979 14.917 12.371 1.00 0.00 H new ATOM 0 HG LEU A 96 8.815 15.275 11.352 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.436 15.042 13.722 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.392 16.457 13.448 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.713 14.975 14.163 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.217 13.038 12.307 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.485 12.896 12.689 1.00 0.00 H new ATOM 0 HD23 LEU A 96 8.017 12.989 10.994 1.00 0.00 H new ATOM 1469 N GLN A 97 4.219 14.588 8.969 1.00 0.00 N ATOM 1470 CA GLN A 97 2.835 14.848 8.599 1.00 0.00 C ATOM 1471 C GLN A 97 2.260 13.644 7.855 1.00 0.00 C ATOM 1472 O GLN A 97 3.018 12.828 7.330 1.00 0.00 O ATOM 1473 CB GLN A 97 2.751 16.114 7.735 1.00 0.00 C ATOM 1474 CG GLN A 97 3.553 16.036 6.445 1.00 0.00 C ATOM 1475 CD GLN A 97 2.683 15.730 5.242 1.00 0.00 C ATOM 1476 OE1 GLN A 97 1.514 16.114 5.195 1.00 0.00 O ATOM 1477 NE2 GLN A 97 3.246 15.049 4.261 1.00 0.00 N ATOM 0 H GLN A 97 4.687 13.897 8.382 1.00 0.00 H new ATOM 0 HA GLN A 97 2.246 15.009 9.502 1.00 0.00 H new ATOM 0 HB2 GLN A 97 1.706 16.306 7.490 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.103 16.964 8.319 1.00 0.00 H new ATOM 0 HG2 GLN A 97 4.071 16.982 6.284 1.00 0.00 H new ATOM 0 HG3 GLN A 97 4.318 15.266 6.542 1.00 0.00 H new ATOM 0 HE21 GLN A 97 4.218 14.750 4.340 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.709 14.822 3.424 1.00 0.00 H new ATOM 1486 N PRO A 98 0.923 13.504 7.816 1.00 0.00 N ATOM 1487 CA PRO A 98 0.256 12.388 7.129 1.00 0.00 C ATOM 1488 C PRO A 98 0.609 12.329 5.644 1.00 0.00 C ATOM 1489 O PRO A 98 0.360 13.275 4.894 1.00 0.00 O ATOM 1490 CB PRO A 98 -1.237 12.684 7.315 1.00 0.00 C ATOM 1491 CG PRO A 98 -1.301 13.587 8.496 1.00 0.00 C ATOM 1492 CD PRO A 98 -0.050 14.414 8.442 1.00 0.00 C ATOM 0 HA PRO A 98 0.561 11.423 7.534 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -1.659 13.160 6.430 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -1.804 11.769 7.486 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -2.189 14.218 8.459 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -1.353 13.016 9.423 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -0.191 15.321 7.854 1.00 0.00 H new ATOM 0 HD3 PRO A 98 0.271 14.726 9.436 1.00 0.00 H new ATOM 1500 N GLN A 99 1.192 11.214 5.231 1.00 0.00 N ATOM 1501 CA GLN A 99 1.589 11.026 3.846 1.00 0.00 C ATOM 1502 C GLN A 99 0.448 10.397 3.048 1.00 0.00 C ATOM 1503 O GLN A 99 -0.263 11.085 2.314 1.00 0.00 O ATOM 1504 CB GLN A 99 2.845 10.147 3.782 1.00 0.00 C ATOM 1505 CG GLN A 99 3.372 9.903 2.375 1.00 0.00 C ATOM 1506 CD GLN A 99 3.823 11.176 1.681 1.00 0.00 C ATOM 1507 OE1 GLN A 99 4.225 12.144 2.325 1.00 0.00 O ATOM 1508 NE2 GLN A 99 3.769 11.177 0.360 1.00 0.00 N ATOM 0 H GLN A 99 1.401 10.423 5.840 1.00 0.00 H new ATOM 0 HA GLN A 99 1.818 11.996 3.405 1.00 0.00 H new ATOM 0 HB2 GLN A 99 3.631 10.614 4.375 1.00 0.00 H new ATOM 0 HB3 GLN A 99 2.625 9.186 4.246 1.00 0.00 H new ATOM 0 HG2 GLN A 99 4.208 9.206 2.422 1.00 0.00 H new ATOM 0 HG3 GLN A 99 2.593 9.427 1.779 1.00 0.00 H new ATOM 0 HE21 GLN A 99 3.429 10.354 -0.137 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.067 12.001 -0.162 1.00 0.00 H new ATOM 1517 N CYS A 100 0.259 9.097 3.217 1.00 0.00 N ATOM 1518 CA CYS A 100 -0.787 8.382 2.506 1.00 0.00 C ATOM 1519 C CYS A 100 -1.419 7.330 3.405 1.00 0.00 C ATOM 1520 O CYS A 100 -0.759 6.767 4.282 1.00 0.00 O ATOM 1521 CB CYS A 100 -0.217 7.715 1.252 1.00 0.00 C ATOM 1522 SG CYS A 100 0.617 8.843 0.107 1.00 0.00 S ATOM 0 H CYS A 100 0.818 8.516 3.842 1.00 0.00 H new ATOM 0 HA CYS A 100 -1.552 9.100 2.211 1.00 0.00 H new ATOM 0 HB2 CYS A 100 0.488 6.942 1.557 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -1.028 7.216 0.722 1.00 0.00 H new ATOM 0 HG CYS A 100 1.717 8.296 -0.317 1.00 0.00 H new ATOM 1528 N ILE A 101 -2.697 7.074 3.190 1.00 0.00 N ATOM 1529 CA ILE A 101 -3.420 6.087 3.970 1.00 0.00 C ATOM 1530 C ILE A 101 -3.388 4.732 3.273 1.00 0.00 C ATOM 1531 O ILE A 101 -3.798 4.610 2.114 1.00 0.00 O ATOM 1532 CB ILE A 101 -4.891 6.501 4.190 1.00 0.00 C ATOM 1533 CG1 ILE A 101 -4.975 7.954 4.662 1.00 0.00 C ATOM 1534 CG2 ILE A 101 -5.553 5.577 5.200 1.00 0.00 C ATOM 1535 CD1 ILE A 101 -6.364 8.550 4.555 1.00 0.00 C ATOM 0 H ILE A 101 -3.258 7.540 2.477 1.00 0.00 H new ATOM 0 HA ILE A 101 -2.927 6.019 4.940 1.00 0.00 H new ATOM 0 HB ILE A 101 -5.420 6.417 3.241 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -4.644 8.009 5.699 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -4.284 8.558 4.074 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -6.590 5.880 5.346 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -5.523 4.552 4.830 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -5.021 5.635 6.150 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -6.346 9.581 4.907 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -6.690 8.528 3.515 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -7.057 7.970 5.165 1.00 0.00 H new ATOM 1547 N MET A 102 -2.879 3.728 3.970 1.00 0.00 N ATOM 1548 CA MET A 102 -2.801 2.379 3.433 1.00 0.00 C ATOM 1549 C MET A 102 -4.017 1.583 3.879 1.00 0.00 C ATOM 1550 O MET A 102 -4.113 1.178 5.036 1.00 0.00 O ATOM 1551 CB MET A 102 -1.524 1.682 3.910 1.00 0.00 C ATOM 1552 CG MET A 102 -0.253 2.459 3.615 1.00 0.00 C ATOM 1553 SD MET A 102 1.228 1.642 4.242 1.00 0.00 S ATOM 1554 CE MET A 102 0.901 1.644 6.003 1.00 0.00 C ATOM 0 H MET A 102 -2.511 3.824 4.916 1.00 0.00 H new ATOM 0 HA MET A 102 -2.779 2.436 2.345 1.00 0.00 H new ATOM 0 HB2 MET A 102 -1.594 1.513 4.985 1.00 0.00 H new ATOM 0 HB3 MET A 102 -1.458 0.702 3.437 1.00 0.00 H new ATOM 0 HG2 MET A 102 -0.158 2.596 2.538 1.00 0.00 H new ATOM 0 HG3 MET A 102 -0.329 3.452 4.057 1.00 0.00 H new ATOM 0 HE1 MET A 102 1.808 1.919 6.541 1.00 0.00 H new ATOM 0 HE2 MET A 102 0.114 2.364 6.226 1.00 0.00 H new ATOM 0 HE3 MET A 102 0.582 0.650 6.315 1.00 0.00 H new ATOM 1564 N CYS A 103 -4.952 1.384 2.971 1.00 0.00 N ATOM 1565 CA CYS A 103 -6.163 0.647 3.280 1.00 0.00 C ATOM 1566 C CYS A 103 -6.104 -0.762 2.704 1.00 0.00 C ATOM 1567 O CYS A 103 -6.029 -0.946 1.489 1.00 0.00 O ATOM 1568 CB CYS A 103 -7.385 1.388 2.735 1.00 0.00 C ATOM 1569 SG CYS A 103 -7.509 3.109 3.280 1.00 0.00 S ATOM 0 H CYS A 103 -4.897 1.723 2.011 1.00 0.00 H new ATOM 0 HA CYS A 103 -6.248 0.570 4.364 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -7.355 1.364 1.646 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -8.286 0.856 3.041 1.00 0.00 H new ATOM 0 HG CYS A 103 -8.572 3.652 2.765 1.00 0.00 H new ATOM 1575 N VAL A 104 -6.121 -1.746 3.585 1.00 0.00 N ATOM 1576 CA VAL A 104 -6.087 -3.140 3.179 1.00 0.00 C ATOM 1577 C VAL A 104 -7.503 -3.695 3.145 1.00 0.00 C ATOM 1578 O VAL A 104 -8.144 -3.854 4.187 1.00 0.00 O ATOM 1579 CB VAL A 104 -5.219 -3.991 4.131 1.00 0.00 C ATOM 1580 CG1 VAL A 104 -5.117 -5.428 3.635 1.00 0.00 C ATOM 1581 CG2 VAL A 104 -3.837 -3.372 4.284 1.00 0.00 C ATOM 0 H VAL A 104 -6.158 -1.604 4.594 1.00 0.00 H new ATOM 0 HA VAL A 104 -5.641 -3.190 2.186 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.699 -4.008 5.110 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.501 -6.007 4.322 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.113 -5.867 3.583 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -4.664 -5.439 2.644 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.237 -3.983 4.958 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -3.351 -3.322 3.310 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -3.932 -2.367 4.694 1.00 0.00 H new ATOM 1591 N ASN A 105 -7.999 -3.950 1.948 1.00 0.00 N ATOM 1592 CA ASN A 105 -9.346 -4.475 1.777 1.00 0.00 C ATOM 1593 C ASN A 105 -9.343 -5.994 1.868 1.00 0.00 C ATOM 1594 O ASN A 105 -8.485 -6.659 1.287 1.00 0.00 O ATOM 1595 CB ASN A 105 -9.933 -4.029 0.437 1.00 0.00 C ATOM 1596 CG ASN A 105 -11.439 -3.860 0.488 1.00 0.00 C ATOM 1597 OD1 ASN A 105 -12.124 -4.499 1.281 1.00 0.00 O ATOM 1598 ND2 ASN A 105 -11.964 -2.994 -0.364 1.00 0.00 N ATOM 0 H ASN A 105 -7.490 -3.802 1.077 1.00 0.00 H new ATOM 0 HA ASN A 105 -9.969 -4.078 2.578 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -9.475 -3.086 0.140 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -9.679 -4.762 -0.329 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -12.972 -2.838 -0.377 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -11.361 -2.482 -1.008 1.00 0.00 H new ATOM 1605 N TYR A 106 -10.303 -6.528 2.601 1.00 0.00 N ATOM 1606 CA TYR A 106 -10.428 -7.962 2.793 1.00 0.00 C ATOM 1607 C TYR A 106 -11.704 -8.480 2.140 1.00 0.00 C ATOM 1608 O TYR A 106 -12.809 -8.085 2.520 1.00 0.00 O ATOM 1609 CB TYR A 106 -10.450 -8.295 4.287 1.00 0.00 C ATOM 1610 CG TYR A 106 -9.226 -7.839 5.048 1.00 0.00 C ATOM 1611 CD1 TYR A 106 -8.040 -8.558 4.993 1.00 0.00 C ATOM 1612 CD2 TYR A 106 -9.262 -6.692 5.830 1.00 0.00 C ATOM 1613 CE1 TYR A 106 -6.923 -8.146 5.694 1.00 0.00 C ATOM 1614 CE2 TYR A 106 -8.149 -6.272 6.534 1.00 0.00 C ATOM 1615 CZ TYR A 106 -6.981 -7.002 6.463 1.00 0.00 C ATOM 1616 OH TYR A 106 -5.869 -6.586 7.163 1.00 0.00 O ATOM 0 H TYR A 106 -11.018 -5.980 3.080 1.00 0.00 H new ATOM 0 HA TYR A 106 -9.569 -8.445 2.327 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -11.332 -7.838 4.735 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -10.555 -9.374 4.405 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -7.990 -9.454 4.392 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -10.175 -6.118 5.889 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -6.008 -8.717 5.640 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -8.194 -5.377 7.137 1.00 0.00 H new ATOM 0 HH TYR A 106 -6.131 -5.906 7.818 1.00 0.00 H new ATOM 1626 N VAL A 107 -11.548 -9.363 1.163 1.00 0.00 N ATOM 1627 CA VAL A 107 -12.690 -9.938 0.463 1.00 0.00 C ATOM 1628 C VAL A 107 -13.329 -11.031 1.306 1.00 0.00 C ATOM 1629 O VAL A 107 -12.687 -12.029 1.637 1.00 0.00 O ATOM 1630 CB VAL A 107 -12.284 -10.521 -0.907 1.00 0.00 C ATOM 1631 CG1 VAL A 107 -13.508 -10.967 -1.692 1.00 0.00 C ATOM 1632 CG2 VAL A 107 -11.480 -9.506 -1.700 1.00 0.00 C ATOM 0 H VAL A 107 -10.641 -9.697 0.837 1.00 0.00 H new ATOM 0 HA VAL A 107 -13.407 -9.134 0.295 1.00 0.00 H new ATOM 0 HB VAL A 107 -11.658 -11.396 -0.732 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -13.195 -11.374 -2.654 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -14.041 -11.733 -1.130 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -14.166 -10.114 -1.856 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -11.202 -9.934 -2.663 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -12.081 -8.611 -1.861 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -10.579 -9.243 -1.146 1.00 0.00 H new ATOM 1642 N LEU A 108 -14.590 -10.839 1.655 1.00 0.00 N ATOM 1643 CA LEU A 108 -15.303 -11.809 2.469 1.00 0.00 C ATOM 1644 C LEU A 108 -16.593 -12.248 1.790 1.00 0.00 C ATOM 1645 O LEU A 108 -16.729 -13.404 1.385 1.00 0.00 O ATOM 1646 CB LEU A 108 -15.605 -11.219 3.849 1.00 0.00 C ATOM 1647 CG LEU A 108 -14.381 -10.994 4.741 1.00 0.00 C ATOM 1648 CD1 LEU A 108 -14.718 -10.059 5.891 1.00 0.00 C ATOM 1649 CD2 LEU A 108 -13.862 -12.317 5.275 1.00 0.00 C ATOM 0 H LEU A 108 -15.140 -10.022 1.388 1.00 0.00 H new ATOM 0 HA LEU A 108 -14.667 -12.686 2.589 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -16.118 -10.267 3.715 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -16.296 -11.883 4.368 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.601 -10.531 4.137 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -13.834 -9.913 6.512 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -15.046 -9.098 5.495 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -15.516 -10.495 6.492 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -12.992 -12.138 5.907 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -14.642 -12.804 5.860 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -13.579 -12.960 4.442 1.00 0.00 H new ATOM 1661 N SER A 109 -17.525 -11.319 1.647 1.00 0.00 N ATOM 1662 CA SER A 109 -18.805 -11.613 1.026 1.00 0.00 C ATOM 1663 C SER A 109 -18.797 -11.243 -0.460 1.00 0.00 C ATOM 1664 O SER A 109 -17.785 -10.775 -0.993 1.00 0.00 O ATOM 1665 CB SER A 109 -19.913 -10.862 1.766 1.00 0.00 C ATOM 1666 OG SER A 109 -19.771 -11.008 3.173 1.00 0.00 O ATOM 0 H SER A 109 -17.418 -10.352 1.954 1.00 0.00 H new ATOM 0 HA SER A 109 -18.991 -12.685 1.094 1.00 0.00 H new ATOM 0 HB2 SER A 109 -19.882 -9.805 1.501 1.00 0.00 H new ATOM 0 HB3 SER A 109 -20.886 -11.240 1.453 1.00 0.00 H new ATOM 0 HG SER A 109 -20.489 -10.519 3.627 1.00 0.00 H new ATOM 1672 N GLU A 110 -19.924 -11.470 -1.117 1.00 0.00 N ATOM 1673 CA GLU A 110 -20.075 -11.178 -2.535 1.00 0.00 C ATOM 1674 C GLU A 110 -20.615 -9.765 -2.761 1.00 0.00 C ATOM 1675 O GLU A 110 -20.519 -8.897 -1.888 1.00 0.00 O ATOM 1676 CB GLU A 110 -21.006 -12.208 -3.190 1.00 0.00 C ATOM 1677 CG GLU A 110 -22.391 -12.296 -2.559 1.00 0.00 C ATOM 1678 CD GLU A 110 -22.448 -13.226 -1.361 1.00 0.00 C ATOM 1679 OE1 GLU A 110 -22.035 -12.812 -0.259 1.00 0.00 O ATOM 1680 OE2 GLU A 110 -22.919 -14.370 -1.514 1.00 0.00 O ATOM 0 H GLU A 110 -20.760 -11.862 -0.683 1.00 0.00 H new ATOM 0 HA GLU A 110 -19.089 -11.238 -2.996 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -21.116 -11.960 -4.246 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -20.534 -13.189 -3.140 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -22.706 -11.299 -2.251 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -23.103 -12.638 -3.310 1.00 0.00 H new ATOM 1687 N ILE A 111 -21.179 -9.545 -3.942 1.00 0.00 N ATOM 1688 CA ILE A 111 -21.733 -8.251 -4.303 1.00 0.00 C ATOM 1689 C ILE A 111 -23.246 -8.240 -4.110 1.00 0.00 C ATOM 1690 O ILE A 111 -23.950 -9.130 -4.592 1.00 0.00 O ATOM 1691 CB ILE A 111 -21.411 -7.893 -5.769 1.00 0.00 C ATOM 1692 CG1 ILE A 111 -20.040 -8.448 -6.170 1.00 0.00 C ATOM 1693 CG2 ILE A 111 -21.451 -6.385 -5.964 1.00 0.00 C ATOM 1694 CD1 ILE A 111 -19.732 -8.302 -7.644 1.00 0.00 C ATOM 0 H ILE A 111 -21.264 -10.254 -4.670 1.00 0.00 H new ATOM 0 HA ILE A 111 -21.275 -7.510 -3.648 1.00 0.00 H new ATOM 0 HB ILE A 111 -22.166 -8.348 -6.410 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -19.268 -7.937 -5.594 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -19.992 -9.503 -5.901 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -21.222 -6.146 -7.003 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -22.445 -6.012 -5.717 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -20.715 -5.914 -5.313 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -18.746 -8.717 -7.852 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -20.481 -8.837 -8.227 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -19.747 -7.247 -7.916 1.00 0.00 H new ATOM 1706 N GLU A 112 -23.735 -7.243 -3.394 1.00 0.00 N ATOM 1707 CA GLU A 112 -25.157 -7.099 -3.132 1.00 0.00 C ATOM 1708 C GLU A 112 -25.830 -6.392 -4.302 1.00 0.00 C ATOM 1709 O GLU A 112 -25.257 -5.406 -4.814 1.00 0.00 O ATOM 1710 CB GLU A 112 -25.371 -6.313 -1.836 1.00 0.00 C ATOM 1711 CG GLU A 112 -26.808 -6.308 -1.346 1.00 0.00 C ATOM 1712 CD GLU A 112 -26.967 -5.568 -0.033 1.00 0.00 C ATOM 1713 OE1 GLU A 112 -26.625 -6.139 1.022 1.00 0.00 O ATOM 1714 OE2 GLU A 112 -27.441 -4.413 -0.047 1.00 0.00 O ATOM 1715 OXT GLU A 112 -26.926 -6.827 -4.715 1.00 0.00 O ATOM 0 H GLU A 112 -23.159 -6.511 -2.978 1.00 0.00 H new ATOM 0 HA GLU A 112 -25.604 -8.087 -3.018 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -24.734 -6.735 -1.058 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -25.047 -5.284 -1.990 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -27.445 -5.846 -2.100 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -27.152 -7.335 -1.225 1.00 0.00 H new ATOM 1723 N CYS B 7 4.399 16.291 -11.677 1.00 1.33 N ATOM 1724 CA CYS B 7 5.412 15.722 -10.765 1.00 1.38 C ATOM 1725 C CYS B 7 4.781 14.671 -9.861 1.00 1.15 C ATOM 1726 O CYS B 7 3.560 14.633 -9.695 1.00 1.28 O ATOM 1727 CB CYS B 7 6.040 16.831 -9.920 1.00 1.79 C ATOM 1728 SG CYS B 7 6.962 18.056 -10.878 1.00 2.58 S ATOM 0 HA CYS B 7 6.191 15.247 -11.362 1.00 1.38 H new ATOM 0 HB2 CYS B 7 5.253 17.339 -9.363 1.00 1.79 H new ATOM 0 HB3 CYS B 7 6.709 16.380 -9.187 1.00 1.79 H new ATOM 0 HG CYS B 7 7.453 18.954 -10.076 1.00 2.58 H new ATOM 1736 N GLN B 8 5.611 13.810 -9.296 1.00 0.90 N ATOM 1737 CA GLN B 8 5.137 12.761 -8.408 1.00 0.76 C ATOM 1738 C GLN B 8 5.875 12.821 -7.076 1.00 0.65 C ATOM 1739 O GLN B 8 7.054 13.179 -7.029 1.00 0.64 O ATOM 1740 CB GLN B 8 5.320 11.387 -9.059 1.00 0.71 C ATOM 1741 CG GLN B 8 4.334 11.113 -10.186 1.00 0.89 C ATOM 1742 CD GLN B 8 2.907 10.971 -9.691 1.00 1.17 C ATOM 1743 OE1 GLN B 8 2.462 9.876 -9.359 1.00 1.79 O ATOM 1744 NE2 GLN B 8 2.183 12.079 -9.634 1.00 1.90 N ATOM 0 H GLN B 8 6.621 13.817 -9.437 1.00 0.90 H new ATOM 0 HA GLN B 8 4.074 12.917 -8.223 1.00 0.76 H new ATOM 0 HB2 GLN B 8 6.335 11.311 -9.448 1.00 0.71 H new ATOM 0 HB3 GLN B 8 5.212 10.615 -8.297 1.00 0.71 H new ATOM 0 HG2 GLN B 8 4.384 11.924 -10.912 1.00 0.89 H new ATOM 0 HG3 GLN B 8 4.627 10.201 -10.706 1.00 0.89 H new ATOM 0 HE21 GLN B 8 2.590 12.970 -9.919 1.00 1.90 H new ATOM 0 HE22 GLN B 8 1.218 12.041 -9.305 1.00 1.90 H new ATOM 1753 N PRO B 9 5.184 12.484 -5.975 1.00 0.64 N ATOM 1754 CA PRO B 9 5.772 12.505 -4.631 1.00 0.56 C ATOM 1755 C PRO B 9 6.919 11.507 -4.471 1.00 0.44 C ATOM 1756 O PRO B 9 6.995 10.508 -5.189 1.00 0.38 O ATOM 1757 CB PRO B 9 4.604 12.117 -3.717 1.00 0.61 C ATOM 1758 CG PRO B 9 3.635 11.414 -4.603 1.00 0.75 C ATOM 1759 CD PRO B 9 3.774 12.060 -5.952 1.00 0.77 C ATOM 0 HA PRO B 9 6.208 13.478 -4.404 1.00 0.56 H new ATOM 0 HB2 PRO B 9 4.937 11.470 -2.905 1.00 0.61 H new ATOM 0 HB3 PRO B 9 4.153 12.997 -3.259 1.00 0.61 H new ATOM 0 HG2 PRO B 9 3.855 10.348 -4.655 1.00 0.75 H new ATOM 0 HG3 PRO B 9 2.617 11.512 -4.225 1.00 0.75 H new ATOM 0 HD2 PRO B 9 3.550 11.362 -6.758 1.00 0.77 H new ATOM 0 HD3 PRO B 9 3.097 12.906 -6.066 1.00 0.77 H new ATOM 1767 N THR B 10 7.804 11.782 -3.520 1.00 0.43 N ATOM 1768 CA THR B 10 8.943 10.916 -3.245 1.00 0.37 C ATOM 1769 C THR B 10 8.525 9.787 -2.305 1.00 0.31 C ATOM 1770 O THR B 10 9.110 9.585 -1.238 1.00 0.39 O ATOM 1771 CB THR B 10 10.099 11.721 -2.622 1.00 0.46 C ATOM 1772 OG1 THR B 10 10.046 13.075 -3.095 1.00 0.88 O ATOM 1773 CG2 THR B 10 11.446 11.115 -2.983 1.00 0.62 C ATOM 0 H THR B 10 7.753 12.606 -2.921 1.00 0.43 H new ATOM 0 HA THR B 10 9.288 10.488 -4.186 1.00 0.37 H new ATOM 0 HB THR B 10 9.989 11.696 -1.538 1.00 0.46 H new ATOM 0 HG1 THR B 10 10.780 13.589 -2.698 1.00 0.88 H new ATOM 0 HG21 THR B 10 12.243 11.704 -2.530 1.00 0.62 H new ATOM 0 HG22 THR B 10 11.495 10.091 -2.612 1.00 0.62 H new ATOM 0 HG23 THR B 10 11.566 11.115 -4.066 1.00 0.62 H new ATOM 1781 N GLU B 11 7.498 9.063 -2.723 1.00 0.30 N ATOM 1782 CA GLU B 11 6.951 7.960 -1.954 1.00 0.31 C ATOM 1783 C GLU B 11 6.189 7.033 -2.895 1.00 0.27 C ATOM 1784 O GLU B 11 5.488 7.505 -3.791 1.00 0.31 O ATOM 1785 CB GLU B 11 6.028 8.511 -0.858 1.00 0.45 C ATOM 1786 CG GLU B 11 5.588 7.483 0.171 1.00 1.13 C ATOM 1787 CD GLU B 11 4.255 6.860 -0.171 1.00 1.36 C ATOM 1788 OE1 GLU B 11 3.245 7.594 -0.230 1.00 1.83 O ATOM 1789 OE2 GLU B 11 4.209 5.634 -0.380 1.00 1.65 O ATOM 0 H GLU B 11 7.020 9.226 -3.609 1.00 0.30 H new ATOM 0 HA GLU B 11 7.751 7.395 -1.476 1.00 0.31 H new ATOM 0 HB2 GLU B 11 6.540 9.324 -0.344 1.00 0.45 H new ATOM 0 HB3 GLU B 11 5.142 8.938 -1.328 1.00 0.45 H new ATOM 0 HG2 GLU B 11 6.343 6.701 0.245 1.00 1.13 H new ATOM 0 HG3 GLU B 11 5.524 7.958 1.150 1.00 1.13 H new ATOM 1796 N PHE B 12 6.340 5.727 -2.713 1.00 0.30 N ATOM 1797 CA PHE B 12 5.661 4.759 -3.568 1.00 0.30 C ATOM 1798 C PHE B 12 5.575 3.393 -2.900 1.00 0.27 C ATOM 1799 O PHE B 12 6.242 3.133 -1.894 1.00 0.33 O ATOM 1800 CB PHE B 12 6.389 4.627 -4.914 1.00 0.35 C ATOM 1801 CG PHE B 12 7.684 3.856 -4.842 1.00 0.34 C ATOM 1802 CD1 PHE B 12 8.835 4.447 -4.345 1.00 0.39 C ATOM 1803 CD2 PHE B 12 7.748 2.539 -5.272 1.00 0.42 C ATOM 1804 CE1 PHE B 12 10.023 3.742 -4.279 1.00 0.42 C ATOM 1805 CE2 PHE B 12 8.933 1.830 -5.207 1.00 0.45 C ATOM 1806 CZ PHE B 12 10.071 2.432 -4.709 1.00 0.40 C ATOM 0 H PHE B 12 6.923 5.314 -1.985 1.00 0.30 H new ATOM 0 HA PHE B 12 4.649 5.125 -3.738 1.00 0.30 H new ATOM 0 HB2 PHE B 12 5.726 4.137 -5.627 1.00 0.35 H new ATOM 0 HB3 PHE B 12 6.594 5.624 -5.303 1.00 0.35 H new ATOM 0 HD1 PHE B 12 8.804 5.472 -4.005 1.00 0.39 H new ATOM 0 HD2 PHE B 12 6.861 2.062 -5.662 1.00 0.42 H new ATOM 0 HE1 PHE B 12 10.912 4.217 -3.891 1.00 0.42 H new ATOM 0 HE2 PHE B 12 8.968 0.805 -5.546 1.00 0.45 H new ATOM 0 HZ PHE B 12 10.997 1.879 -4.656 1.00 0.40 H new ATOM 1816 N ILE B 13 4.768 2.517 -3.489 1.00 0.27 N ATOM 1817 CA ILE B 13 4.583 1.164 -2.985 1.00 0.27 C ATOM 1818 C ILE B 13 4.897 0.145 -4.071 1.00 0.29 C ATOM 1819 O ILE B 13 5.068 0.496 -5.237 1.00 0.35 O ATOM 1820 CB ILE B 13 3.145 0.899 -2.478 1.00 0.36 C ATOM 1821 CG1 ILE B 13 2.091 1.438 -3.466 1.00 0.98 C ATOM 1822 CG2 ILE B 13 2.955 1.478 -1.088 1.00 0.85 C ATOM 1823 CD1 ILE B 13 1.717 2.895 -3.264 1.00 1.40 C ATOM 0 H ILE B 13 4.226 2.726 -4.327 1.00 0.27 H new ATOM 0 HA ILE B 13 5.268 1.062 -2.143 1.00 0.27 H new ATOM 0 HB ILE B 13 3.001 -0.180 -2.415 1.00 0.36 H new ATOM 0 HG12 ILE B 13 2.467 1.311 -4.481 1.00 0.98 H new ATOM 0 HG13 ILE B 13 1.190 0.831 -3.381 1.00 0.98 H new ATOM 0 HG21 ILE B 13 1.938 1.282 -0.748 1.00 0.85 H new ATOM 0 HG22 ILE B 13 3.663 1.015 -0.401 1.00 0.85 H new ATOM 0 HG23 ILE B 13 3.127 2.554 -1.115 1.00 0.85 H new ATOM 0 HD11 ILE B 13 0.971 3.185 -4.004 1.00 1.40 H new ATOM 0 HD12 ILE B 13 1.307 3.030 -2.263 1.00 1.40 H new ATOM 0 HD13 ILE B 13 2.604 3.518 -3.380 1.00 1.40 H new ATOM 1835 N SER B 14 4.989 -1.116 -3.682 1.00 0.34 N ATOM 1836 CA SER B 14 5.265 -2.192 -4.621 1.00 0.42 C ATOM 1837 C SER B 14 4.748 -3.512 -4.069 1.00 0.35 C ATOM 1838 O SER B 14 4.829 -3.762 -2.866 1.00 0.40 O ATOM 1839 CB SER B 14 6.767 -2.306 -4.896 1.00 0.54 C ATOM 1840 OG SER B 14 7.345 -1.038 -5.151 1.00 1.47 O ATOM 0 H SER B 14 4.876 -1.422 -2.715 1.00 0.34 H new ATOM 0 HA SER B 14 4.755 -1.963 -5.557 1.00 0.42 H new ATOM 0 HB2 SER B 14 7.261 -2.767 -4.041 1.00 0.54 H new ATOM 0 HB3 SER B 14 6.933 -2.961 -5.751 1.00 0.54 H new ATOM 0 HG SER B 14 8.267 -1.155 -5.461 1.00 1.47 H new ATOM 1846 N ARG B 15 4.202 -4.341 -4.943 1.00 0.31 N ATOM 1847 CA ARG B 15 3.692 -5.642 -4.543 1.00 0.31 C ATOM 1848 C ARG B 15 4.824 -6.650 -4.634 1.00 0.27 C ATOM 1849 O ARG B 15 5.222 -7.035 -5.733 1.00 0.29 O ATOM 1850 CB ARG B 15 2.534 -6.075 -5.449 1.00 0.42 C ATOM 1851 CG ARG B 15 1.417 -5.047 -5.555 1.00 0.54 C ATOM 1852 CD ARG B 15 0.860 -4.982 -6.969 1.00 0.90 C ATOM 1853 NE ARG B 15 -0.511 -5.489 -7.055 1.00 1.40 N ATOM 1854 CZ ARG B 15 -0.997 -6.173 -8.093 1.00 1.85 C ATOM 1855 NH1 ARG B 15 -0.208 -6.504 -9.110 1.00 2.03 N ATOM 1856 NH2 ARG B 15 -2.270 -6.537 -8.105 1.00 2.69 N ATOM 0 H ARG B 15 4.100 -4.135 -5.937 1.00 0.31 H new ATOM 0 HA ARG B 15 3.316 -5.585 -3.521 1.00 0.31 H new ATOM 0 HB2 ARG B 15 2.923 -6.279 -6.447 1.00 0.42 H new ATOM 0 HB3 ARG B 15 2.120 -7.010 -5.071 1.00 0.42 H new ATOM 0 HG2 ARG B 15 0.618 -5.301 -4.858 1.00 0.54 H new ATOM 0 HG3 ARG B 15 1.793 -4.066 -5.264 1.00 0.54 H new ATOM 0 HD2 ARG B 15 0.885 -3.950 -7.319 1.00 0.90 H new ATOM 0 HD3 ARG B 15 1.500 -5.560 -7.635 1.00 0.90 H new ATOM 0 HE ARG B 15 -1.136 -5.307 -6.270 1.00 1.40 H new ATOM 0 HH11 ARG B 15 0.776 -6.235 -9.101 1.00 2.03 H new ATOM 0 HH12 ARG B 15 -0.586 -7.027 -9.900 1.00 2.03 H new ATOM 0 HH21 ARG B 15 -2.877 -6.295 -7.322 1.00 2.69 H new ATOM 0 HH22 ARG B 15 -2.644 -7.060 -8.897 1.00 2.69 H new ATOM 1870 N HIS B 16 5.362 -7.049 -3.495 1.00 0.28 N ATOM 1871 CA HIS B 16 6.465 -7.999 -3.481 1.00 0.28 C ATOM 1872 C HIS B 16 6.151 -9.184 -2.581 1.00 0.32 C ATOM 1873 O HIS B 16 5.260 -9.113 -1.737 1.00 0.40 O ATOM 1874 CB HIS B 16 7.769 -7.317 -3.027 1.00 0.32 C ATOM 1875 CG HIS B 16 7.769 -6.847 -1.601 1.00 0.36 C ATOM 1876 ND1 HIS B 16 8.004 -7.681 -0.528 1.00 0.54 N ATOM 1877 CD2 HIS B 16 7.561 -5.617 -1.077 1.00 0.75 C ATOM 1878 CE1 HIS B 16 7.939 -6.985 0.590 1.00 0.46 C ATOM 1879 NE2 HIS B 16 7.671 -5.728 0.289 1.00 0.61 N ATOM 0 H HIS B 16 5.058 -6.734 -2.574 1.00 0.28 H new ATOM 0 HA HIS B 16 6.601 -8.366 -4.498 1.00 0.28 H new ATOM 0 HB2 HIS B 16 8.595 -8.015 -3.165 1.00 0.32 H new ATOM 0 HB3 HIS B 16 7.961 -6.463 -3.677 1.00 0.32 H new ATOM 0 HD1 HIS B 16 8.198 -8.681 -0.590 1.00 0.54 H new ATOM 0 HD2 HIS B 16 7.348 -4.714 -1.630 1.00 0.75 H new ATOM 0 HE1 HIS B 16 8.081 -7.378 1.586 1.00 0.46 H new ATOM 1888 N ASN B 17 6.886 -10.268 -2.760 1.00 0.31 N ATOM 1889 CA ASN B 17 6.686 -11.460 -1.949 1.00 0.39 C ATOM 1890 C ASN B 17 7.597 -11.414 -0.721 1.00 0.35 C ATOM 1891 O ASN B 17 8.297 -10.419 -0.502 1.00 0.32 O ATOM 1892 CB ASN B 17 6.937 -12.729 -2.781 1.00 0.49 C ATOM 1893 CG ASN B 17 8.409 -13.041 -2.996 1.00 0.95 C ATOM 1894 OD1 ASN B 17 9.250 -12.145 -3.051 1.00 2.04 O ATOM 1895 ND2 ASN B 17 8.729 -14.321 -3.107 1.00 0.59 N ATOM 0 H ASN B 17 7.626 -10.349 -3.458 1.00 0.31 H new ATOM 0 HA ASN B 17 5.651 -11.488 -1.608 1.00 0.39 H new ATOM 0 HB2 ASN B 17 6.464 -13.577 -2.285 1.00 0.49 H new ATOM 0 HB3 ASN B 17 6.453 -12.617 -3.751 1.00 0.49 H new ATOM 0 HD21 ASN B 17 9.702 -14.593 -3.243 1.00 0.59 H new ATOM 0 HD22 ASN B 17 8.002 -15.035 -3.056 1.00 0.59 H new ATOM 1902 N ILE B 18 7.597 -12.484 0.069 1.00 0.40 N ATOM 1903 CA ILE B 18 8.417 -12.555 1.282 1.00 0.45 C ATOM 1904 C ILE B 18 9.922 -12.527 0.979 1.00 0.44 C ATOM 1905 O ILE B 18 10.732 -12.251 1.861 1.00 0.52 O ATOM 1906 CB ILE B 18 8.095 -13.820 2.108 1.00 0.53 C ATOM 1907 CG1 ILE B 18 8.306 -15.084 1.268 1.00 0.59 C ATOM 1908 CG2 ILE B 18 6.670 -13.759 2.644 1.00 0.57 C ATOM 1909 CD1 ILE B 18 8.072 -16.369 2.034 1.00 0.70 C ATOM 0 H ILE B 18 7.037 -13.318 -0.107 1.00 0.40 H new ATOM 0 HA ILE B 18 8.166 -11.666 1.861 1.00 0.45 H new ATOM 0 HB ILE B 18 8.778 -13.859 2.956 1.00 0.53 H new ATOM 0 HG12 ILE B 18 7.635 -15.056 0.410 1.00 0.59 H new ATOM 0 HG13 ILE B 18 9.324 -15.084 0.877 1.00 0.59 H new ATOM 0 HG21 ILE B 18 6.460 -14.658 3.223 1.00 0.57 H new ATOM 0 HG22 ILE B 18 6.558 -12.882 3.282 1.00 0.57 H new ATOM 0 HG23 ILE B 18 5.970 -13.693 1.811 1.00 0.57 H new ATOM 0 HD11 ILE B 18 8.240 -17.221 1.375 1.00 0.70 H new ATOM 0 HD12 ILE B 18 8.761 -16.421 2.877 1.00 0.70 H new ATOM 0 HD13 ILE B 18 7.046 -16.392 2.402 1.00 0.70 H new ATOM 1921 N GLU B 19 10.290 -12.801 -0.269 1.00 0.41 N ATOM 1922 CA GLU B 19 11.695 -12.808 -0.668 1.00 0.45 C ATOM 1923 C GLU B 19 12.135 -11.426 -1.140 1.00 0.41 C ATOM 1924 O GLU B 19 13.296 -11.216 -1.489 1.00 0.51 O ATOM 1925 CB GLU B 19 11.927 -13.829 -1.780 1.00 0.50 C ATOM 1926 CG GLU B 19 11.441 -15.226 -1.438 1.00 0.65 C ATOM 1927 CD GLU B 19 11.752 -16.226 -2.527 1.00 1.21 C ATOM 1928 OE1 GLU B 19 11.079 -16.195 -3.577 1.00 1.92 O ATOM 1929 OE2 GLU B 19 12.672 -17.048 -2.341 1.00 1.28 O ATOM 0 H GLU B 19 9.637 -13.021 -1.021 1.00 0.41 H new ATOM 0 HA GLU B 19 12.289 -13.084 0.203 1.00 0.45 H new ATOM 0 HB2 GLU B 19 11.422 -13.489 -2.684 1.00 0.50 H new ATOM 0 HB3 GLU B 19 12.992 -13.870 -2.007 1.00 0.50 H new ATOM 0 HG2 GLU B 19 11.904 -15.551 -0.507 1.00 0.65 H new ATOM 0 HG3 GLU B 19 10.365 -15.202 -1.267 1.00 0.65 H new ATOM 1936 N GLY B 20 11.203 -10.486 -1.165 1.00 0.33 N ATOM 1937 CA GLY B 20 11.530 -9.143 -1.595 1.00 0.32 C ATOM 1938 C GLY B 20 11.490 -8.989 -3.100 1.00 0.29 C ATOM 1939 O GLY B 20 11.908 -7.961 -3.632 1.00 0.34 O ATOM 0 H GLY B 20 10.229 -10.628 -0.896 1.00 0.33 H new ATOM 0 HA2 GLY B 20 10.831 -8.440 -1.143 1.00 0.32 H new ATOM 0 HA3 GLY B 20 12.524 -8.881 -1.233 1.00 0.32 H new ATOM 1943 N ILE B 21 10.998 -10.017 -3.782 1.00 0.27 N ATOM 1944 CA ILE B 21 10.887 -9.995 -5.233 1.00 0.28 C ATOM 1945 C ILE B 21 9.717 -9.114 -5.637 1.00 0.27 C ATOM 1946 O ILE B 21 8.575 -9.371 -5.250 1.00 0.31 O ATOM 1947 CB ILE B 21 10.691 -11.420 -5.811 1.00 0.32 C ATOM 1948 CG1 ILE B 21 12.005 -12.201 -5.755 1.00 0.37 C ATOM 1949 CG2 ILE B 21 10.160 -11.368 -7.241 1.00 0.41 C ATOM 1950 CD1 ILE B 21 13.010 -11.778 -6.804 1.00 0.47 C ATOM 0 H ILE B 21 10.668 -10.880 -3.349 1.00 0.27 H new ATOM 0 HA ILE B 21 11.816 -9.594 -5.639 1.00 0.28 H new ATOM 0 HB ILE B 21 9.950 -11.934 -5.198 1.00 0.32 H new ATOM 0 HG12 ILE B 21 12.450 -12.076 -4.768 1.00 0.37 H new ATOM 0 HG13 ILE B 21 11.792 -13.263 -5.877 1.00 0.37 H new ATOM 0 HG21 ILE B 21 10.033 -12.382 -7.619 1.00 0.41 H new ATOM 0 HG22 ILE B 21 9.199 -10.853 -7.254 1.00 0.41 H new ATOM 0 HG23 ILE B 21 10.868 -10.831 -7.873 1.00 0.41 H new ATOM 0 HD11 ILE B 21 13.916 -12.376 -6.702 1.00 0.47 H new ATOM 0 HD12 ILE B 21 12.585 -11.929 -7.796 1.00 0.47 H new ATOM 0 HD13 ILE B 21 13.254 -10.724 -6.670 1.00 0.47 H new ATOM 1962 N PHE B 22 10.005 -8.064 -6.388 1.00 0.25 N ATOM 1963 CA PHE B 22 8.969 -7.148 -6.829 1.00 0.27 C ATOM 1964 C PHE B 22 8.145 -7.754 -7.958 1.00 0.28 C ATOM 1965 O PHE B 22 8.651 -7.987 -9.058 1.00 0.35 O ATOM 1966 CB PHE B 22 9.579 -5.825 -7.286 1.00 0.31 C ATOM 1967 CG PHE B 22 10.265 -5.061 -6.190 1.00 0.33 C ATOM 1968 CD1 PHE B 22 9.526 -4.377 -5.240 1.00 0.36 C ATOM 1969 CD2 PHE B 22 11.647 -5.025 -6.112 1.00 0.38 C ATOM 1970 CE1 PHE B 22 10.152 -3.670 -4.233 1.00 0.44 C ATOM 1971 CE2 PHE B 22 12.279 -4.320 -5.107 1.00 0.45 C ATOM 1972 CZ PHE B 22 11.530 -3.641 -4.167 1.00 0.46 C ATOM 0 H PHE B 22 10.945 -7.826 -6.704 1.00 0.25 H new ATOM 0 HA PHE B 22 8.310 -6.961 -5.981 1.00 0.27 H new ATOM 0 HB2 PHE B 22 10.297 -6.023 -8.082 1.00 0.31 H new ATOM 0 HB3 PHE B 22 8.793 -5.202 -7.713 1.00 0.31 H new ATOM 0 HD1 PHE B 22 8.447 -4.397 -5.287 1.00 0.36 H new ATOM 0 HD2 PHE B 22 12.237 -5.554 -6.845 1.00 0.38 H new ATOM 0 HE1 PHE B 22 9.564 -3.140 -3.498 1.00 0.44 H new ATOM 0 HE2 PHE B 22 13.358 -4.300 -5.056 1.00 0.45 H new ATOM 0 HZ PHE B 22 12.022 -3.088 -3.381 1.00 0.46 H new ATOM 1982 N THR B 23 6.883 -8.025 -7.668 1.00 0.27 N ATOM 1983 CA THR B 23 5.969 -8.578 -8.651 1.00 0.30 C ATOM 1984 C THR B 23 5.406 -7.454 -9.515 1.00 0.27 C ATOM 1985 O THR B 23 5.288 -7.585 -10.733 1.00 0.33 O ATOM 1986 CB THR B 23 4.819 -9.336 -7.961 1.00 0.42 C ATOM 1987 OG1 THR B 23 5.359 -10.269 -7.017 1.00 1.35 O ATOM 1988 CG2 THR B 23 3.960 -10.077 -8.975 1.00 1.14 C ATOM 0 H THR B 23 6.466 -7.869 -6.750 1.00 0.27 H new ATOM 0 HA THR B 23 6.515 -9.282 -9.279 1.00 0.30 H new ATOM 0 HB THR B 23 4.190 -8.609 -7.448 1.00 0.42 H new ATOM 0 HG1 THR B 23 4.627 -10.750 -6.577 1.00 1.35 H new ATOM 0 HG21 THR B 23 3.157 -10.602 -8.457 1.00 1.14 H new ATOM 0 HG22 THR B 23 3.532 -9.364 -9.679 1.00 1.14 H new ATOM 0 HG23 THR B 23 4.575 -10.797 -9.516 1.00 1.14 H new ATOM 1996 N PHE B 24 5.073 -6.342 -8.869 1.00 0.25 N ATOM 1997 CA PHE B 24 4.541 -5.177 -9.561 1.00 0.28 C ATOM 1998 C PHE B 24 4.842 -3.921 -8.752 1.00 0.26 C ATOM 1999 O PHE B 24 4.438 -3.809 -7.592 1.00 0.27 O ATOM 2000 CB PHE B 24 3.033 -5.315 -9.794 1.00 0.36 C ATOM 2001 CG PHE B 24 2.475 -4.286 -10.737 1.00 0.46 C ATOM 2002 CD1 PHE B 24 3.107 -4.016 -11.944 1.00 0.59 C ATOM 2003 CD2 PHE B 24 1.318 -3.591 -10.422 1.00 0.51 C ATOM 2004 CE1 PHE B 24 2.594 -3.073 -12.815 1.00 0.71 C ATOM 2005 CE2 PHE B 24 0.802 -2.647 -11.290 1.00 0.61 C ATOM 2006 CZ PHE B 24 1.441 -2.388 -12.488 1.00 0.70 C ATOM 0 H PHE B 24 5.164 -6.224 -7.860 1.00 0.25 H new ATOM 0 HA PHE B 24 5.022 -5.101 -10.536 1.00 0.28 H new ATOM 0 HB2 PHE B 24 2.824 -6.309 -10.189 1.00 0.36 H new ATOM 0 HB3 PHE B 24 2.517 -5.237 -8.837 1.00 0.36 H new ATOM 0 HD1 PHE B 24 4.009 -4.549 -12.205 1.00 0.59 H new ATOM 0 HD2 PHE B 24 0.814 -3.789 -9.488 1.00 0.51 H new ATOM 0 HE1 PHE B 24 3.095 -2.872 -13.751 1.00 0.71 H new ATOM 0 HE2 PHE B 24 -0.100 -2.112 -11.032 1.00 0.61 H new ATOM 0 HZ PHE B 24 1.039 -1.651 -13.167 1.00 0.70 H new ATOM 2016 N VAL B 25 5.555 -2.989 -9.363 1.00 0.26 N ATOM 2017 CA VAL B 25 5.929 -1.749 -8.698 1.00 0.27 C ATOM 2018 C VAL B 25 5.055 -0.595 -9.175 1.00 0.26 C ATOM 2019 O VAL B 25 4.732 -0.503 -10.360 1.00 0.25 O ATOM 2020 CB VAL B 25 7.415 -1.410 -8.962 1.00 0.34 C ATOM 2021 CG1 VAL B 25 7.821 -0.117 -8.272 1.00 0.74 C ATOM 2022 CG2 VAL B 25 8.309 -2.554 -8.512 1.00 0.78 C ATOM 0 H VAL B 25 5.888 -3.068 -10.324 1.00 0.26 H new ATOM 0 HA VAL B 25 5.781 -1.891 -7.628 1.00 0.27 H new ATOM 0 HB VAL B 25 7.538 -1.268 -10.036 1.00 0.34 H new ATOM 0 HG11 VAL B 25 8.871 0.091 -8.478 1.00 0.74 H new ATOM 0 HG12 VAL B 25 7.208 0.703 -8.646 1.00 0.74 H new ATOM 0 HG13 VAL B 25 7.676 -0.217 -7.196 1.00 0.74 H new ATOM 0 HG21 VAL B 25 9.351 -2.299 -8.705 1.00 0.78 H new ATOM 0 HG22 VAL B 25 8.169 -2.727 -7.445 1.00 0.78 H new ATOM 0 HG23 VAL B 25 8.049 -3.458 -9.063 1.00 0.78 H new ATOM 2032 N ASP B 26 4.665 0.266 -8.244 1.00 0.27 N ATOM 2033 CA ASP B 26 3.841 1.423 -8.562 1.00 0.29 C ATOM 2034 C ASP B 26 4.654 2.433 -9.364 1.00 0.24 C ATOM 2035 O ASP B 26 5.844 2.635 -9.110 1.00 0.22 O ATOM 2036 CB ASP B 26 3.304 2.055 -7.274 1.00 0.39 C ATOM 2037 CG ASP B 26 2.735 3.445 -7.480 1.00 0.48 C ATOM 2038 OD1 ASP B 26 1.896 3.634 -8.389 1.00 0.72 O ATOM 2039 OD2 ASP B 26 3.123 4.356 -6.729 1.00 0.78 O ATOM 0 H ASP B 26 4.908 0.183 -7.257 1.00 0.27 H new ATOM 0 HA ASP B 26 2.992 1.105 -9.167 1.00 0.29 H new ATOM 0 HB2 ASP B 26 2.530 1.411 -6.857 1.00 0.39 H new ATOM 0 HB3 ASP B 26 4.108 2.104 -6.539 1.00 0.39 H new ATOM 2044 N HIS B 27 4.001 3.064 -10.326 1.00 0.26 N ATOM 2045 CA HIS B 27 4.646 4.036 -11.206 1.00 0.26 C ATOM 2046 C HIS B 27 4.913 5.368 -10.504 1.00 0.23 C ATOM 2047 O HIS B 27 4.414 6.416 -10.918 1.00 0.26 O ATOM 2048 CB HIS B 27 3.800 4.262 -12.468 1.00 0.34 C ATOM 2049 CG HIS B 27 2.317 4.211 -12.241 1.00 0.50 C ATOM 2050 ND1 HIS B 27 1.590 5.264 -11.730 1.00 0.70 N ATOM 2051 CD2 HIS B 27 1.428 3.213 -12.452 1.00 0.66 C ATOM 2052 CE1 HIS B 27 0.322 4.913 -11.635 1.00 0.86 C ATOM 2053 NE2 HIS B 27 0.195 3.675 -12.069 1.00 0.83 N ATOM 0 H HIS B 27 3.010 2.920 -10.522 1.00 0.26 H new ATOM 0 HA HIS B 27 5.612 3.619 -11.489 1.00 0.26 H new ATOM 0 HB2 HIS B 27 4.057 5.232 -12.893 1.00 0.34 H new ATOM 0 HB3 HIS B 27 4.067 3.509 -13.209 1.00 0.34 H new ATOM 0 HD2 HIS B 27 1.649 2.233 -12.849 1.00 0.66 H new ATOM 0 HE1 HIS B 27 -0.478 5.536 -11.264 1.00 0.86 H new ATOM 0 HE2 HIS B 27 -0.677 3.147 -12.113 1.00 0.83 H new ATOM 2062 N ARG B 28 5.701 5.319 -9.443 1.00 0.24 N ATOM 2063 CA ARG B 28 6.055 6.518 -8.694 1.00 0.27 C ATOM 2064 C ARG B 28 7.528 6.484 -8.303 1.00 0.24 C ATOM 2065 O ARG B 28 8.121 7.517 -7.997 1.00 0.28 O ATOM 2066 CB ARG B 28 5.184 6.645 -7.446 1.00 0.35 C ATOM 2067 CG ARG B 28 4.507 7.999 -7.308 1.00 0.48 C ATOM 2068 CD ARG B 28 3.206 7.894 -6.531 1.00 0.56 C ATOM 2069 NE ARG B 28 2.357 6.818 -7.041 1.00 0.99 N ATOM 2070 CZ ARG B 28 1.167 6.995 -7.609 1.00 1.26 C ATOM 2071 NH1 ARG B 28 0.634 8.210 -7.691 1.00 1.61 N ATOM 2072 NH2 ARG B 28 0.510 5.954 -8.100 1.00 1.87 N ATOM 0 H ARG B 28 6.110 4.459 -9.078 1.00 0.24 H new ATOM 0 HA ARG B 28 5.881 7.385 -9.331 1.00 0.27 H new ATOM 0 HB2 ARG B 28 4.420 5.867 -7.466 1.00 0.35 H new ATOM 0 HB3 ARG B 28 5.799 6.465 -6.564 1.00 0.35 H new ATOM 0 HG2 ARG B 28 5.179 8.693 -6.803 1.00 0.48 H new ATOM 0 HG3 ARG B 28 4.309 8.410 -8.298 1.00 0.48 H new ATOM 0 HD2 ARG B 28 3.424 7.717 -5.478 1.00 0.56 H new ATOM 0 HD3 ARG B 28 2.669 8.841 -6.591 1.00 0.56 H new ATOM 0 HE ARG B 28 2.702 5.862 -6.955 1.00 0.99 H new ATOM 0 HH11 ARG B 28 1.138 9.014 -7.317 1.00 1.61 H new ATOM 0 HH12 ARG B 28 -0.279 8.338 -8.128 1.00 1.61 H new ATOM 0 HH21 ARG B 28 0.917 5.020 -8.042 1.00 1.87 H new ATOM 0 HH22 ARG B 28 -0.403 6.086 -8.536 1.00 1.87 H new ATOM 2086 N CYS B 29 8.120 5.292 -8.364 1.00 0.21 N ATOM 2087 CA CYS B 29 9.525 5.093 -8.011 1.00 0.22 C ATOM 2088 C CYS B 29 10.452 5.962 -8.861 1.00 0.22 C ATOM 2089 O CYS B 29 11.564 6.297 -8.439 1.00 0.25 O ATOM 2090 CB CYS B 29 9.899 3.621 -8.182 1.00 0.27 C ATOM 2091 SG CYS B 29 9.387 2.918 -9.765 1.00 1.34 S ATOM 0 H CYS B 29 7.642 4.440 -8.658 1.00 0.21 H new ATOM 0 HA CYS B 29 9.651 5.389 -6.970 1.00 0.22 H new ATOM 0 HB2 CYS B 29 10.979 3.516 -8.081 1.00 0.27 H new ATOM 0 HB3 CYS B 29 9.446 3.045 -7.375 1.00 0.27 H new ATOM 0 HG CYS B 29 10.320 3.113 -10.649 1.00 1.34 H new ATOM 2097 N VAL B 30 9.984 6.335 -10.047 1.00 0.24 N ATOM 2098 CA VAL B 30 10.760 7.167 -10.958 1.00 0.31 C ATOM 2099 C VAL B 30 11.042 8.532 -10.331 1.00 0.33 C ATOM 2100 O VAL B 30 12.095 9.125 -10.556 1.00 0.38 O ATOM 2101 CB VAL B 30 10.021 7.362 -12.300 1.00 0.39 C ATOM 2102 CG1 VAL B 30 10.900 8.096 -13.305 1.00 1.01 C ATOM 2103 CG2 VAL B 30 9.564 6.020 -12.858 1.00 0.92 C ATOM 0 H VAL B 30 9.064 6.072 -10.401 1.00 0.24 H new ATOM 0 HA VAL B 30 11.703 6.655 -11.148 1.00 0.31 H new ATOM 0 HB VAL B 30 9.139 7.975 -12.117 1.00 0.39 H new ATOM 0 HG11 VAL B 30 10.356 8.220 -14.241 1.00 1.01 H new ATOM 0 HG12 VAL B 30 11.167 9.075 -12.908 1.00 1.01 H new ATOM 0 HG13 VAL B 30 11.806 7.518 -13.486 1.00 1.01 H new ATOM 0 HG21 VAL B 30 9.045 6.177 -13.804 1.00 0.92 H new ATOM 0 HG22 VAL B 30 10.431 5.380 -13.021 1.00 0.92 H new ATOM 0 HG23 VAL B 30 8.888 5.542 -12.149 1.00 0.92 H new ATOM 2113 N ALA B 31 10.109 9.008 -9.513 1.00 0.34 N ATOM 2114 CA ALA B 31 10.257 10.298 -8.855 1.00 0.40 C ATOM 2115 C ALA B 31 10.889 10.136 -7.476 1.00 0.39 C ATOM 2116 O ALA B 31 11.268 11.116 -6.832 1.00 0.45 O ATOM 2117 CB ALA B 31 8.908 10.991 -8.744 1.00 0.46 C ATOM 0 H ALA B 31 9.242 8.518 -9.291 1.00 0.34 H new ATOM 0 HA ALA B 31 10.919 10.917 -9.460 1.00 0.40 H new ATOM 0 HB1 ALA B 31 9.033 11.954 -8.250 1.00 0.46 H new ATOM 0 HB2 ALA B 31 8.495 11.145 -9.741 1.00 0.46 H new ATOM 0 HB3 ALA B 31 8.227 10.371 -8.161 1.00 0.46 H new ATOM 2123 N THR B 32 10.990 8.896 -7.023 1.00 0.36 N ATOM 2124 CA THR B 32 11.578 8.603 -5.726 1.00 0.38 C ATOM 2125 C THR B 32 13.080 8.355 -5.848 1.00 0.42 C ATOM 2126 O THR B 32 13.893 9.110 -5.317 1.00 0.48 O ATOM 2127 CB THR B 32 10.916 7.370 -5.085 1.00 0.37 C ATOM 2128 OG1 THR B 32 9.538 7.311 -5.467 1.00 0.36 O ATOM 2129 CG2 THR B 32 11.030 7.415 -3.569 1.00 0.44 C ATOM 0 H THR B 32 10.671 8.074 -7.536 1.00 0.36 H new ATOM 0 HA THR B 32 11.408 9.473 -5.092 1.00 0.38 H new ATOM 0 HB THR B 32 11.433 6.478 -5.439 1.00 0.37 H new ATOM 0 HG1 THR B 32 9.195 6.406 -5.315 1.00 0.36 H new ATOM 0 HG21 THR B 32 10.554 6.532 -3.142 1.00 0.44 H new ATOM 0 HG22 THR B 32 12.082 7.434 -3.284 1.00 0.44 H new ATOM 0 HG23 THR B 32 10.536 8.311 -3.193 1.00 0.44 H new ATOM 2137 N VAL B 33 13.443 7.296 -6.562 1.00 0.42 N ATOM 2138 CA VAL B 33 14.847 6.944 -6.741 1.00 0.52 C ATOM 2139 C VAL B 33 15.267 7.045 -8.203 1.00 0.57 C ATOM 2140 O VAL B 33 16.456 7.059 -8.517 1.00 0.99 O ATOM 2141 CB VAL B 33 15.145 5.520 -6.224 1.00 0.56 C ATOM 2142 CG1 VAL B 33 15.266 5.519 -4.708 1.00 0.67 C ATOM 2143 CG2 VAL B 33 14.070 4.541 -6.677 1.00 0.51 C ATOM 0 H VAL B 33 12.787 6.667 -7.025 1.00 0.42 H new ATOM 0 HA VAL B 33 15.423 7.661 -6.156 1.00 0.52 H new ATOM 0 HB VAL B 33 16.096 5.196 -6.647 1.00 0.56 H new ATOM 0 HG11 VAL B 33 15.476 4.507 -4.360 1.00 0.67 H new ATOM 0 HG12 VAL B 33 16.077 6.182 -4.407 1.00 0.67 H new ATOM 0 HG13 VAL B 33 14.331 5.867 -4.268 1.00 0.67 H new ATOM 0 HG21 VAL B 33 14.303 3.545 -6.300 1.00 0.51 H new ATOM 0 HG22 VAL B 33 13.102 4.859 -6.289 1.00 0.51 H new ATOM 0 HG23 VAL B 33 14.035 4.518 -7.766 1.00 0.51 H new ATOM 2153 N GLY B 34 14.288 7.102 -9.096 1.00 0.36 N ATOM 2154 CA GLY B 34 14.585 7.205 -10.512 1.00 0.38 C ATOM 2155 C GLY B 34 14.534 5.863 -11.209 1.00 0.33 C ATOM 2156 O GLY B 34 14.644 5.785 -12.431 1.00 0.38 O ATOM 0 H GLY B 34 13.295 7.079 -8.866 1.00 0.36 H new ATOM 0 HA2 GLY B 34 13.873 7.883 -10.982 1.00 0.38 H new ATOM 0 HA3 GLY B 34 15.575 7.642 -10.642 1.00 0.38 H new ATOM 2160 N TYR B 35 14.376 4.805 -10.432 1.00 0.32 N ATOM 2161 CA TYR B 35 14.301 3.462 -10.983 1.00 0.31 C ATOM 2162 C TYR B 35 12.948 3.234 -11.632 1.00 0.29 C ATOM 2163 O TYR B 35 11.921 3.683 -11.121 1.00 0.35 O ATOM 2164 CB TYR B 35 14.530 2.415 -9.893 1.00 0.33 C ATOM 2165 CG TYR B 35 15.982 2.066 -9.674 1.00 0.30 C ATOM 2166 CD1 TYR B 35 16.827 1.819 -10.747 1.00 0.39 C ATOM 2167 CD2 TYR B 35 16.504 1.976 -8.392 1.00 0.30 C ATOM 2168 CE1 TYR B 35 18.153 1.493 -10.548 1.00 0.39 C ATOM 2169 CE2 TYR B 35 17.828 1.651 -8.185 1.00 0.30 C ATOM 2170 CZ TYR B 35 18.648 1.411 -9.265 1.00 0.30 C ATOM 2171 OH TYR B 35 19.968 1.087 -9.059 1.00 0.34 O ATOM 0 H TYR B 35 14.297 4.850 -9.416 1.00 0.32 H new ATOM 0 HA TYR B 35 15.083 3.361 -11.736 1.00 0.31 H new ATOM 0 HB2 TYR B 35 14.110 2.782 -8.957 1.00 0.33 H new ATOM 0 HB3 TYR B 35 13.984 1.508 -10.154 1.00 0.33 H new ATOM 0 HD1 TYR B 35 16.441 1.883 -11.753 1.00 0.39 H new ATOM 0 HD2 TYR B 35 15.864 2.163 -7.543 1.00 0.30 H new ATOM 0 HE1 TYR B 35 18.799 1.303 -11.393 1.00 0.39 H new ATOM 0 HE2 TYR B 35 18.220 1.585 -7.181 1.00 0.30 H new ATOM 0 HH TYR B 35 20.540 1.772 -9.464 1.00 0.34 H new ATOM 2181 N GLN B 36 12.951 2.552 -12.761 1.00 0.30 N ATOM 2182 CA GLN B 36 11.716 2.259 -13.467 1.00 0.31 C ATOM 2183 C GLN B 36 11.064 1.028 -12.847 1.00 0.30 C ATOM 2184 O GLN B 36 11.763 0.114 -12.411 1.00 0.35 O ATOM 2185 CB GLN B 36 11.985 2.026 -14.955 1.00 0.40 C ATOM 2186 CG GLN B 36 12.761 3.150 -15.629 1.00 0.42 C ATOM 2187 CD GLN B 36 12.141 4.519 -15.411 1.00 0.81 C ATOM 2188 OE1 GLN B 36 12.690 5.281 -14.478 1.00 1.63 O flip ATOM 2189 NE2 GLN B 36 11.192 4.901 -16.093 1.00 1.29 N flip ATOM 0 H GLN B 36 13.793 2.190 -13.209 1.00 0.30 H new ATOM 0 HA GLN B 36 11.043 3.112 -13.377 1.00 0.31 H new ATOM 0 HB2 GLN B 36 12.540 1.095 -15.072 1.00 0.40 H new ATOM 0 HB3 GLN B 36 11.033 1.897 -15.470 1.00 0.40 H new ATOM 0 HG2 GLN B 36 13.783 3.156 -15.249 1.00 0.42 H new ATOM 0 HG3 GLN B 36 12.820 2.951 -16.699 1.00 0.42 H new ATOM 0 HE21 GLN B 36 10.794 4.286 -16.803 1.00 1.29 H new ATOM 0 HE22 GLN B 36 10.802 5.833 -15.949 1.00 1.29 H new ATOM 2198 N PRO B 37 9.722 0.985 -12.797 1.00 0.33 N ATOM 2199 CA PRO B 37 8.985 -0.140 -12.204 1.00 0.35 C ATOM 2200 C PRO B 37 9.409 -1.492 -12.772 1.00 0.31 C ATOM 2201 O PRO B 37 9.575 -2.461 -12.033 1.00 0.30 O ATOM 2202 CB PRO B 37 7.526 0.161 -12.563 1.00 0.43 C ATOM 2203 CG PRO B 37 7.479 1.639 -12.746 1.00 0.49 C ATOM 2204 CD PRO B 37 8.813 2.024 -13.318 1.00 0.40 C ATOM 0 HA PRO B 37 9.169 -0.221 -11.133 1.00 0.35 H new ATOM 0 HB2 PRO B 37 7.226 -0.360 -13.472 1.00 0.43 H new ATOM 0 HB3 PRO B 37 6.849 -0.162 -11.772 1.00 0.43 H new ATOM 0 HG2 PRO B 37 6.669 1.924 -13.417 1.00 0.49 H new ATOM 0 HG3 PRO B 37 7.300 2.145 -11.797 1.00 0.49 H new ATOM 0 HD2 PRO B 37 8.795 2.033 -14.408 1.00 0.40 H new ATOM 0 HD3 PRO B 37 9.116 3.021 -12.996 1.00 0.40 H new ATOM 2212 N GLN B 38 9.620 -1.537 -14.083 1.00 0.33 N ATOM 2213 CA GLN B 38 10.010 -2.767 -14.765 1.00 0.35 C ATOM 2214 C GLN B 38 11.408 -3.231 -14.356 1.00 0.34 C ATOM 2215 O GLN B 38 11.719 -4.419 -14.441 1.00 0.33 O ATOM 2216 CB GLN B 38 9.953 -2.582 -16.284 1.00 0.46 C ATOM 2217 CG GLN B 38 8.581 -2.184 -16.802 1.00 0.57 C ATOM 2218 CD GLN B 38 8.431 -0.685 -16.962 1.00 1.14 C ATOM 2219 OE1 GLN B 38 9.085 0.097 -16.271 1.00 2.03 O ATOM 2220 NE2 GLN B 38 7.570 -0.275 -17.877 1.00 1.34 N ATOM 0 H GLN B 38 9.527 -0.729 -14.699 1.00 0.33 H new ATOM 0 HA GLN B 38 9.299 -3.537 -14.465 1.00 0.35 H new ATOM 0 HB2 GLN B 38 10.676 -1.820 -16.575 1.00 0.46 H new ATOM 0 HB3 GLN B 38 10.257 -3.511 -16.766 1.00 0.46 H new ATOM 0 HG2 GLN B 38 8.405 -2.668 -17.763 1.00 0.57 H new ATOM 0 HG3 GLN B 38 7.817 -2.551 -16.116 1.00 0.57 H new ATOM 0 HE21 GLN B 38 7.048 -0.957 -18.428 1.00 1.34 H new ATOM 0 HE22 GLN B 38 7.427 0.723 -18.032 1.00 1.34 H new ATOM 2229 N GLU B 39 12.240 -2.301 -13.899 1.00 0.39 N ATOM 2230 CA GLU B 39 13.601 -2.631 -13.489 1.00 0.44 C ATOM 2231 C GLU B 39 13.593 -3.428 -12.191 1.00 0.44 C ATOM 2232 O GLU B 39 14.432 -4.306 -11.984 1.00 0.53 O ATOM 2233 CB GLU B 39 14.436 -1.359 -13.319 1.00 0.55 C ATOM 2234 CG GLU B 39 14.409 -0.447 -14.536 1.00 0.59 C ATOM 2235 CD GLU B 39 15.492 0.611 -14.504 1.00 1.16 C ATOM 2236 OE1 GLU B 39 15.331 1.624 -13.791 1.00 1.69 O ATOM 2237 OE2 GLU B 39 16.507 0.442 -15.207 1.00 1.59 O ATOM 0 H GLU B 39 11.997 -1.315 -13.803 1.00 0.39 H new ATOM 0 HA GLU B 39 14.051 -3.243 -14.271 1.00 0.44 H new ATOM 0 HB2 GLU B 39 14.070 -0.807 -12.453 1.00 0.55 H new ATOM 0 HB3 GLU B 39 15.468 -1.637 -13.107 1.00 0.55 H new ATOM 0 HG2 GLU B 39 14.523 -1.049 -15.437 1.00 0.59 H new ATOM 0 HG3 GLU B 39 13.435 0.039 -14.598 1.00 0.59 H new ATOM 2244 N LEU B 40 12.632 -3.122 -11.327 1.00 0.41 N ATOM 2245 CA LEU B 40 12.504 -3.809 -10.045 1.00 0.44 C ATOM 2246 C LEU B 40 11.768 -5.134 -10.214 1.00 0.40 C ATOM 2247 O LEU B 40 11.930 -6.052 -9.410 1.00 0.45 O ATOM 2248 CB LEU B 40 11.754 -2.936 -9.029 1.00 0.50 C ATOM 2249 CG LEU B 40 12.537 -1.759 -8.434 1.00 0.53 C ATOM 2250 CD1 LEU B 40 13.954 -2.175 -8.069 1.00 1.10 C ATOM 2251 CD2 LEU B 40 12.549 -0.578 -9.391 1.00 1.24 C ATOM 0 H LEU B 40 11.929 -2.402 -11.490 1.00 0.41 H new ATOM 0 HA LEU B 40 13.510 -4.003 -9.673 1.00 0.44 H new ATOM 0 HB2 LEU B 40 10.859 -2.543 -9.511 1.00 0.50 H new ATOM 0 HB3 LEU B 40 11.421 -3.574 -8.210 1.00 0.50 H new ATOM 0 HG LEU B 40 12.032 -1.448 -7.519 1.00 0.53 H new ATOM 0 HD11 LEU B 40 14.487 -1.322 -7.649 1.00 1.10 H new ATOM 0 HD12 LEU B 40 13.919 -2.979 -7.333 1.00 1.10 H new ATOM 0 HD13 LEU B 40 14.473 -2.523 -8.962 1.00 1.10 H new ATOM 0 HD21 LEU B 40 13.110 0.244 -8.947 1.00 1.24 H new ATOM 0 HD22 LEU B 40 13.020 -0.874 -10.328 1.00 1.24 H new ATOM 0 HD23 LEU B 40 11.526 -0.256 -9.585 1.00 1.24 H new ATOM 2263 N LEU B 41 10.962 -5.225 -11.266 1.00 0.34 N ATOM 2264 CA LEU B 41 10.188 -6.430 -11.540 1.00 0.34 C ATOM 2265 C LEU B 41 11.097 -7.629 -11.769 1.00 0.38 C ATOM 2266 O LEU B 41 11.878 -7.663 -12.725 1.00 0.43 O ATOM 2267 CB LEU B 41 9.284 -6.230 -12.760 1.00 0.29 C ATOM 2268 CG LEU B 41 8.280 -5.081 -12.652 1.00 0.28 C ATOM 2269 CD1 LEU B 41 7.355 -5.066 -13.855 1.00 0.30 C ATOM 2270 CD2 LEU B 41 7.477 -5.185 -11.369 1.00 0.30 C ATOM 0 H LEU B 41 10.827 -4.476 -11.945 1.00 0.34 H new ATOM 0 HA LEU B 41 9.568 -6.625 -10.665 1.00 0.34 H new ATOM 0 HB2 LEU B 41 9.914 -6.059 -13.633 1.00 0.29 H new ATOM 0 HB3 LEU B 41 8.735 -7.154 -12.939 1.00 0.29 H new ATOM 0 HG LEU B 41 8.838 -4.145 -12.632 1.00 0.28 H new ATOM 0 HD11 LEU B 41 6.648 -4.242 -13.760 1.00 0.30 H new ATOM 0 HD12 LEU B 41 7.942 -4.937 -14.764 1.00 0.30 H new ATOM 0 HD13 LEU B 41 6.809 -6.008 -13.906 1.00 0.30 H new ATOM 0 HD21 LEU B 41 6.770 -4.357 -11.314 1.00 0.30 H new ATOM 0 HD22 LEU B 41 6.932 -6.129 -11.356 1.00 0.30 H new ATOM 0 HD23 LEU B 41 8.151 -5.143 -10.513 1.00 0.30 H new ATOM 2282 N GLY B 42 10.993 -8.607 -10.881 1.00 0.43 N ATOM 2283 CA GLY B 42 11.801 -9.805 -10.992 1.00 0.51 C ATOM 2284 C GLY B 42 13.110 -9.687 -10.242 1.00 0.49 C ATOM 2285 O GLY B 42 13.955 -10.580 -10.308 1.00 0.53 O ATOM 0 H GLY B 42 10.360 -8.592 -10.081 1.00 0.43 H new ATOM 0 HA2 GLY B 42 11.240 -10.656 -10.607 1.00 0.51 H new ATOM 0 HA3 GLY B 42 12.004 -10.007 -12.044 1.00 0.51 H new ATOM 2289 N LYS B 43 13.281 -8.586 -9.529 1.00 0.46 N ATOM 2290 CA LYS B 43 14.491 -8.354 -8.763 1.00 0.47 C ATOM 2291 C LYS B 43 14.182 -8.326 -7.273 1.00 0.40 C ATOM 2292 O LYS B 43 13.033 -8.128 -6.869 1.00 0.50 O ATOM 2293 CB LYS B 43 15.144 -7.037 -9.186 1.00 0.57 C ATOM 2294 CG LYS B 43 15.725 -7.054 -10.593 1.00 0.73 C ATOM 2295 CD LYS B 43 17.147 -7.595 -10.608 1.00 0.81 C ATOM 2296 CE LYS B 43 17.171 -9.115 -10.600 1.00 1.70 C ATOM 2297 NZ LYS B 43 18.541 -9.648 -10.379 1.00 2.45 N ATOM 0 H LYS B 43 12.592 -7.836 -9.466 1.00 0.46 H new ATOM 0 HA LYS B 43 15.184 -9.171 -8.961 1.00 0.47 H new ATOM 0 HB2 LYS B 43 14.404 -6.239 -9.120 1.00 0.57 H new ATOM 0 HB3 LYS B 43 15.938 -6.794 -8.480 1.00 0.57 H new ATOM 0 HG2 LYS B 43 15.096 -7.666 -11.239 1.00 0.73 H new ATOM 0 HG3 LYS B 43 15.715 -6.044 -11.003 1.00 0.73 H new ATOM 0 HD2 LYS B 43 17.667 -7.228 -11.493 1.00 0.81 H new ATOM 0 HD3 LYS B 43 17.689 -7.218 -9.741 1.00 0.81 H new ATOM 0 HE2 LYS B 43 16.508 -9.484 -9.818 1.00 1.70 H new ATOM 0 HE3 LYS B 43 16.785 -9.489 -11.548 1.00 1.70 H new ATOM 0 HZ1 LYS B 43 18.483 -10.642 -10.079 1.00 2.45 H new ATOM 0 HZ2 LYS B 43 19.085 -9.585 -11.263 1.00 2.45 H new ATOM 0 HZ3 LYS B 43 19.015 -9.091 -9.640 1.00 2.45 H new ATOM 2311 N ASN B 44 15.206 -8.538 -6.464 1.00 0.32 N ATOM 2312 CA ASN B 44 15.056 -8.524 -5.018 1.00 0.29 C ATOM 2313 C ASN B 44 15.390 -7.138 -4.488 1.00 0.28 C ATOM 2314 O ASN B 44 16.352 -6.514 -4.938 1.00 0.30 O ATOM 2315 CB ASN B 44 15.985 -9.553 -4.356 1.00 0.30 C ATOM 2316 CG ASN B 44 15.674 -10.989 -4.740 1.00 0.91 C ATOM 2317 OD1 ASN B 44 16.130 -11.480 -5.772 1.00 1.92 O ATOM 2318 ND2 ASN B 44 14.916 -11.681 -3.903 1.00 0.70 N ATOM 0 H ASN B 44 16.156 -8.723 -6.786 1.00 0.32 H new ATOM 0 HA ASN B 44 14.024 -8.782 -4.779 1.00 0.29 H new ATOM 0 HB2 ASN B 44 17.016 -9.328 -4.629 1.00 0.30 H new ATOM 0 HB3 ASN B 44 15.913 -9.452 -3.273 1.00 0.30 H new ATOM 0 HD21 ASN B 44 14.692 -12.656 -4.104 1.00 0.70 H new ATOM 0 HD22 ASN B 44 14.556 -11.239 -3.057 1.00 0.70 H new ATOM 2325 N ILE B 45 14.604 -6.655 -3.534 1.00 0.25 N ATOM 2326 CA ILE B 45 14.836 -5.339 -2.939 1.00 0.25 C ATOM 2327 C ILE B 45 16.218 -5.274 -2.283 1.00 0.24 C ATOM 2328 O ILE B 45 16.816 -4.206 -2.166 1.00 0.31 O ATOM 2329 CB ILE B 45 13.743 -4.995 -1.893 1.00 0.25 C ATOM 2330 CG1 ILE B 45 13.886 -3.545 -1.414 1.00 0.27 C ATOM 2331 CG2 ILE B 45 13.799 -5.960 -0.715 1.00 0.24 C ATOM 2332 CD1 ILE B 45 12.759 -3.085 -0.511 1.00 0.28 C ATOM 0 H ILE B 45 13.799 -7.153 -3.154 1.00 0.25 H new ATOM 0 HA ILE B 45 14.790 -4.605 -3.743 1.00 0.25 H new ATOM 0 HB ILE B 45 12.770 -5.100 -2.373 1.00 0.25 H new ATOM 0 HG12 ILE B 45 14.831 -3.440 -0.882 1.00 0.27 H new ATOM 0 HG13 ILE B 45 13.934 -2.888 -2.283 1.00 0.27 H new ATOM 0 HG21 ILE B 45 13.024 -5.700 0.006 1.00 0.24 H new ATOM 0 HG22 ILE B 45 13.637 -6.978 -1.070 1.00 0.24 H new ATOM 0 HG23 ILE B 45 14.776 -5.894 -0.237 1.00 0.24 H new ATOM 0 HD11 ILE B 45 12.930 -2.050 -0.214 1.00 0.28 H new ATOM 0 HD12 ILE B 45 11.812 -3.157 -1.046 1.00 0.28 H new ATOM 0 HD13 ILE B 45 12.723 -3.717 0.377 1.00 0.28 H new ATOM 2344 N VAL B 46 16.732 -6.437 -1.898 1.00 0.21 N ATOM 2345 CA VAL B 46 18.029 -6.533 -1.248 1.00 0.23 C ATOM 2346 C VAL B 46 19.173 -6.233 -2.225 1.00 0.23 C ATOM 2347 O VAL B 46 20.283 -5.904 -1.811 1.00 0.29 O ATOM 2348 CB VAL B 46 18.217 -7.934 -0.614 1.00 0.26 C ATOM 2349 CG1 VAL B 46 18.463 -8.994 -1.677 1.00 1.08 C ATOM 2350 CG2 VAL B 46 19.340 -7.929 0.412 1.00 1.15 C ATOM 0 H VAL B 46 16.263 -7.333 -2.028 1.00 0.21 H new ATOM 0 HA VAL B 46 18.058 -5.781 -0.459 1.00 0.23 H new ATOM 0 HB VAL B 46 17.290 -8.185 -0.098 1.00 0.26 H new ATOM 0 HG11 VAL B 46 18.591 -9.965 -1.199 1.00 1.08 H new ATOM 0 HG12 VAL B 46 17.611 -9.033 -2.356 1.00 1.08 H new ATOM 0 HG13 VAL B 46 19.363 -8.744 -2.238 1.00 1.08 H new ATOM 0 HG21 VAL B 46 19.447 -8.926 0.839 1.00 1.15 H new ATOM 0 HG22 VAL B 46 20.273 -7.639 -0.071 1.00 1.15 H new ATOM 0 HG23 VAL B 46 19.106 -7.218 1.205 1.00 1.15 H new ATOM 2360 N GLU B 47 18.892 -6.321 -3.522 1.00 0.23 N ATOM 2361 CA GLU B 47 19.907 -6.071 -4.543 1.00 0.27 C ATOM 2362 C GLU B 47 20.177 -4.578 -4.698 1.00 0.25 C ATOM 2363 O GLU B 47 21.267 -4.170 -5.104 1.00 0.35 O ATOM 2364 CB GLU B 47 19.465 -6.656 -5.885 1.00 0.34 C ATOM 2365 CG GLU B 47 19.176 -8.146 -5.835 1.00 0.42 C ATOM 2366 CD GLU B 47 18.840 -8.720 -7.195 1.00 1.07 C ATOM 2367 OE1 GLU B 47 19.760 -8.885 -8.021 1.00 1.06 O ATOM 2368 OE2 GLU B 47 17.660 -9.032 -7.442 1.00 1.96 O ATOM 0 H GLU B 47 17.972 -6.563 -3.891 1.00 0.23 H new ATOM 0 HA GLU B 47 20.829 -6.557 -4.223 1.00 0.27 H new ATOM 0 HB2 GLU B 47 18.571 -6.132 -6.223 1.00 0.34 H new ATOM 0 HB3 GLU B 47 20.242 -6.470 -6.626 1.00 0.34 H new ATOM 0 HG2 GLU B 47 20.043 -8.667 -5.429 1.00 0.42 H new ATOM 0 HG3 GLU B 47 18.346 -8.329 -5.153 1.00 0.42 H new ATOM 2375 N PHE B 48 19.179 -3.770 -4.374 1.00 0.22 N ATOM 2376 CA PHE B 48 19.296 -2.321 -4.482 1.00 0.26 C ATOM 2377 C PHE B 48 19.378 -1.697 -3.096 1.00 0.26 C ATOM 2378 O PHE B 48 19.159 -0.498 -2.920 1.00 0.33 O ATOM 2379 CB PHE B 48 18.101 -1.749 -5.252 1.00 0.32 C ATOM 2380 CG PHE B 48 17.858 -2.420 -6.575 1.00 0.35 C ATOM 2381 CD1 PHE B 48 17.055 -3.546 -6.657 1.00 0.39 C ATOM 2382 CD2 PHE B 48 18.436 -1.928 -7.735 1.00 0.40 C ATOM 2383 CE1 PHE B 48 16.832 -4.169 -7.869 1.00 0.45 C ATOM 2384 CE2 PHE B 48 18.216 -2.548 -8.950 1.00 0.45 C ATOM 2385 CZ PHE B 48 17.413 -3.670 -9.016 1.00 0.46 C ATOM 0 H PHE B 48 18.274 -4.094 -4.032 1.00 0.22 H new ATOM 0 HA PHE B 48 20.209 -2.082 -5.028 1.00 0.26 H new ATOM 0 HB2 PHE B 48 17.206 -1.842 -4.637 1.00 0.32 H new ATOM 0 HB3 PHE B 48 18.264 -0.684 -5.419 1.00 0.32 H new ATOM 0 HD1 PHE B 48 16.598 -3.941 -5.762 1.00 0.39 H new ATOM 0 HD2 PHE B 48 19.065 -1.051 -7.689 1.00 0.40 H new ATOM 0 HE1 PHE B 48 16.203 -5.046 -7.919 1.00 0.45 H new ATOM 0 HE2 PHE B 48 18.671 -2.156 -9.847 1.00 0.45 H new ATOM 0 HZ PHE B 48 17.240 -4.156 -9.965 1.00 0.46 H new ATOM 2395 N CYS B 49 19.703 -2.523 -2.117 1.00 0.23 N ATOM 2396 CA CYS B 49 19.809 -2.073 -0.745 1.00 0.28 C ATOM 2397 C CYS B 49 21.269 -1.981 -0.317 1.00 0.30 C ATOM 2398 O CYS B 49 22.117 -2.735 -0.805 1.00 0.38 O ATOM 2399 CB CYS B 49 19.050 -3.031 0.175 1.00 0.31 C ATOM 2400 SG CYS B 49 19.211 -2.665 1.939 1.00 1.17 S ATOM 0 H CYS B 49 19.899 -3.515 -2.251 1.00 0.23 H new ATOM 0 HA CYS B 49 19.368 -1.079 -0.671 1.00 0.28 H new ATOM 0 HB2 CYS B 49 17.993 -3.010 -0.092 1.00 0.31 H new ATOM 0 HB3 CYS B 49 19.405 -4.046 -0.006 1.00 0.31 H new ATOM 0 HG CYS B 49 18.525 -1.599 2.225 1.00 1.17 H new ATOM 2406 N HIS B 50 21.545 -1.033 0.575 1.00 0.32 N ATOM 2407 CA HIS B 50 22.881 -0.816 1.117 1.00 0.38 C ATOM 2408 C HIS B 50 23.433 -2.130 1.667 1.00 0.32 C ATOM 2409 O HIS B 50 22.819 -2.733 2.541 1.00 0.31 O ATOM 2410 CB HIS B 50 22.793 0.237 2.226 1.00 0.54 C ATOM 2411 CG HIS B 50 24.089 0.888 2.597 1.00 0.41 C ATOM 2412 ND1 HIS B 50 24.410 1.204 3.895 1.00 1.06 N ATOM 2413 CD2 HIS B 50 25.124 1.319 1.840 1.00 1.18 C ATOM 2414 CE1 HIS B 50 25.584 1.801 3.925 1.00 0.87 C ATOM 2415 NE2 HIS B 50 26.042 1.885 2.690 1.00 1.08 N ATOM 0 H HIS B 50 20.843 -0.391 0.943 1.00 0.32 H new ATOM 0 HA HIS B 50 23.553 -0.463 0.335 1.00 0.38 H new ATOM 0 HB2 HIS B 50 22.093 1.012 1.913 1.00 0.54 H new ATOM 0 HB3 HIS B 50 22.373 -0.231 3.116 1.00 0.54 H new ATOM 0 HD1 HIS B 50 23.829 1.007 4.710 1.00 1.06 H new ATOM 0 HD2 HIS B 50 25.212 1.234 0.767 1.00 1.18 H new ATOM 0 HE1 HIS B 50 26.087 2.161 4.811 1.00 0.87 H new ATOM 2424 N PRO B 51 24.591 -2.586 1.157 1.00 0.35 N ATOM 2425 CA PRO B 51 25.223 -3.852 1.570 1.00 0.38 C ATOM 2426 C PRO B 51 25.231 -4.088 3.080 1.00 0.36 C ATOM 2427 O PRO B 51 24.908 -5.181 3.544 1.00 0.46 O ATOM 2428 CB PRO B 51 26.648 -3.705 1.049 1.00 0.47 C ATOM 2429 CG PRO B 51 26.509 -2.860 -0.168 1.00 0.72 C ATOM 2430 CD PRO B 51 25.386 -1.899 0.118 1.00 0.44 C ATOM 0 HA PRO B 51 24.676 -4.709 1.178 1.00 0.38 H new ATOM 0 HB2 PRO B 51 27.295 -3.234 1.789 1.00 0.47 H new ATOM 0 HB3 PRO B 51 27.087 -4.674 0.812 1.00 0.47 H new ATOM 0 HG2 PRO B 51 27.435 -2.326 -0.379 1.00 0.72 H new ATOM 0 HG3 PRO B 51 26.286 -3.470 -1.043 1.00 0.72 H new ATOM 0 HD2 PRO B 51 25.761 -0.939 0.471 1.00 0.44 H new ATOM 0 HD3 PRO B 51 24.792 -1.701 -0.774 1.00 0.44 H new ATOM 2438 N GLU B 52 25.584 -3.063 3.840 1.00 0.37 N ATOM 2439 CA GLU B 52 25.650 -3.171 5.293 1.00 0.38 C ATOM 2440 C GLU B 52 24.266 -3.188 5.949 1.00 0.37 C ATOM 2441 O GLU B 52 24.144 -3.518 7.128 1.00 0.40 O ATOM 2442 CB GLU B 52 26.473 -2.017 5.866 1.00 0.45 C ATOM 2443 CG GLU B 52 27.833 -1.855 5.211 1.00 0.78 C ATOM 2444 CD GLU B 52 27.833 -0.803 4.123 1.00 1.36 C ATOM 2445 OE1 GLU B 52 27.114 -0.975 3.116 1.00 2.04 O ATOM 2446 OE2 GLU B 52 28.546 0.211 4.274 1.00 1.70 O ATOM 0 H GLU B 52 25.830 -2.143 3.475 1.00 0.37 H new ATOM 0 HA GLU B 52 26.128 -4.124 5.518 1.00 0.38 H new ATOM 0 HB2 GLU B 52 25.911 -1.090 5.752 1.00 0.45 H new ATOM 0 HB3 GLU B 52 26.611 -2.176 6.935 1.00 0.45 H new ATOM 0 HG2 GLU B 52 28.568 -1.588 5.970 1.00 0.78 H new ATOM 0 HG3 GLU B 52 28.145 -2.810 4.788 1.00 0.78 H new ATOM 2453 N ASP B 53 23.227 -2.853 5.190 1.00 0.36 N ATOM 2454 CA ASP B 53 21.864 -2.815 5.728 1.00 0.37 C ATOM 2455 C ASP B 53 20.974 -3.859 5.069 1.00 0.38 C ATOM 2456 O ASP B 53 19.764 -3.897 5.307 1.00 0.42 O ATOM 2457 CB ASP B 53 21.242 -1.430 5.530 1.00 0.47 C ATOM 2458 CG ASP B 53 22.019 -0.329 6.216 1.00 0.48 C ATOM 2459 OD1 ASP B 53 22.184 -0.384 7.451 1.00 1.09 O ATOM 2460 OD2 ASP B 53 22.473 0.602 5.521 1.00 1.10 O ATOM 0 H ASP B 53 23.298 -2.604 4.203 1.00 0.36 H new ATOM 0 HA ASP B 53 21.934 -3.036 6.793 1.00 0.37 H new ATOM 0 HB2 ASP B 53 21.182 -1.214 4.463 1.00 0.47 H new ATOM 0 HB3 ASP B 53 20.221 -1.439 5.912 1.00 0.47 H new ATOM 2465 N GLN B 54 21.570 -4.707 4.246 1.00 0.41 N ATOM 2466 CA GLN B 54 20.817 -5.745 3.553 1.00 0.47 C ATOM 2467 C GLN B 54 20.203 -6.723 4.550 1.00 0.50 C ATOM 2468 O GLN B 54 19.055 -7.141 4.394 1.00 0.53 O ATOM 2469 CB GLN B 54 21.708 -6.475 2.546 1.00 0.56 C ATOM 2470 CG GLN B 54 22.174 -5.575 1.411 1.00 0.65 C ATOM 2471 CD GLN B 54 23.038 -6.289 0.388 1.00 0.69 C ATOM 2472 OE1 GLN B 54 23.677 -7.297 0.688 1.00 1.10 O ATOM 2473 NE2 GLN B 54 23.078 -5.756 -0.825 1.00 0.80 N ATOM 0 H GLN B 54 22.569 -4.699 4.041 1.00 0.41 H new ATOM 0 HA GLN B 54 20.004 -5.271 3.003 1.00 0.47 H new ATOM 0 HB2 GLN B 54 22.578 -6.879 3.064 1.00 0.56 H new ATOM 0 HB3 GLN B 54 21.162 -7.322 2.131 1.00 0.56 H new ATOM 0 HG2 GLN B 54 21.302 -5.156 0.909 1.00 0.65 H new ATOM 0 HG3 GLN B 54 22.735 -4.738 1.828 1.00 0.65 H new ATOM 0 HE21 GLN B 54 22.533 -4.919 -1.033 1.00 0.80 H new ATOM 0 HE22 GLN B 54 23.654 -6.183 -1.551 1.00 0.80 H new ATOM 2482 N GLN B 55 20.961 -7.067 5.586 1.00 0.54 N ATOM 2483 CA GLN B 55 20.475 -7.976 6.613 1.00 0.61 C ATOM 2484 C GLN B 55 19.381 -7.293 7.429 1.00 0.52 C ATOM 2485 O GLN B 55 18.408 -7.929 7.827 1.00 0.52 O ATOM 2486 CB GLN B 55 21.624 -8.433 7.516 1.00 0.76 C ATOM 2487 CG GLN B 55 21.196 -9.348 8.657 1.00 1.33 C ATOM 2488 CD GLN B 55 20.380 -10.545 8.196 1.00 1.73 C ATOM 2489 OE1 GLN B 55 20.559 -11.056 7.089 1.00 2.72 O ATOM 2490 NE2 GLN B 55 19.486 -11.010 9.053 1.00 1.51 N ATOM 0 H GLN B 55 21.912 -6.730 5.735 1.00 0.54 H new ATOM 0 HA GLN B 55 20.055 -8.861 6.134 1.00 0.61 H new ATOM 0 HB2 GLN B 55 22.365 -8.952 6.908 1.00 0.76 H new ATOM 0 HB3 GLN B 55 22.114 -7.554 7.934 1.00 0.76 H new ATOM 0 HG2 GLN B 55 22.083 -9.703 9.181 1.00 1.33 H new ATOM 0 HG3 GLN B 55 20.611 -8.773 9.374 1.00 1.33 H new ATOM 0 HE21 GLN B 55 19.367 -10.560 9.960 1.00 1.51 H new ATOM 0 HE22 GLN B 55 18.916 -11.819 8.806 1.00 1.51 H new ATOM 2499 N LEU B 56 19.545 -5.991 7.658 1.00 0.51 N ATOM 2500 CA LEU B 56 18.559 -5.206 8.397 1.00 0.51 C ATOM 2501 C LEU B 56 17.217 -5.264 7.676 1.00 0.42 C ATOM 2502 O LEU B 56 16.164 -5.419 8.299 1.00 0.42 O ATOM 2503 CB LEU B 56 19.024 -3.751 8.533 1.00 0.60 C ATOM 2504 CG LEU B 56 18.008 -2.790 9.154 1.00 0.63 C ATOM 2505 CD1 LEU B 56 17.805 -3.105 10.628 1.00 1.29 C ATOM 2506 CD2 LEU B 56 18.461 -1.349 8.967 1.00 1.42 C ATOM 0 H LEU B 56 20.354 -5.457 7.341 1.00 0.51 H new ATOM 0 HA LEU B 56 18.449 -5.626 9.397 1.00 0.51 H new ATOM 0 HB2 LEU B 56 19.931 -3.733 9.137 1.00 0.60 H new ATOM 0 HB3 LEU B 56 19.292 -3.380 7.544 1.00 0.60 H new ATOM 0 HG LEU B 56 17.052 -2.919 8.646 1.00 0.63 H new ATOM 0 HD11 LEU B 56 17.079 -2.411 11.052 1.00 1.29 H new ATOM 0 HD12 LEU B 56 17.437 -4.125 10.735 1.00 1.29 H new ATOM 0 HD13 LEU B 56 18.754 -3.005 11.155 1.00 1.29 H new ATOM 0 HD21 LEU B 56 17.729 -0.676 9.414 1.00 1.42 H new ATOM 0 HD22 LEU B 56 19.427 -1.206 9.450 1.00 1.42 H new ATOM 0 HD23 LEU B 56 18.552 -1.131 7.903 1.00 1.42 H new ATOM 2518 N LEU B 57 17.271 -5.149 6.354 1.00 0.40 N ATOM 2519 CA LEU B 57 16.077 -5.212 5.527 1.00 0.39 C ATOM 2520 C LEU B 57 15.471 -6.611 5.607 1.00 0.37 C ATOM 2521 O LEU B 57 14.275 -6.771 5.848 1.00 0.39 O ATOM 2522 CB LEU B 57 16.420 -4.873 4.071 1.00 0.48 C ATOM 2523 CG LEU B 57 15.464 -3.904 3.368 1.00 0.60 C ATOM 2524 CD1 LEU B 57 15.816 -3.798 1.894 1.00 1.01 C ATOM 2525 CD2 LEU B 57 14.018 -4.342 3.536 1.00 1.15 C ATOM 0 H LEU B 57 18.136 -5.011 5.831 1.00 0.40 H new ATOM 0 HA LEU B 57 15.353 -4.484 5.893 1.00 0.39 H new ATOM 0 HB2 LEU B 57 17.423 -4.448 4.044 1.00 0.48 H new ATOM 0 HB3 LEU B 57 16.452 -5.801 3.500 1.00 0.48 H new ATOM 0 HG LEU B 57 15.574 -2.923 3.830 1.00 0.60 H new ATOM 0 HD11 LEU B 57 15.130 -3.107 1.405 1.00 1.01 H new ATOM 0 HD12 LEU B 57 16.837 -3.431 1.789 1.00 1.01 H new ATOM 0 HD13 LEU B 57 15.734 -4.780 1.429 1.00 1.01 H new ATOM 0 HD21 LEU B 57 13.362 -3.636 3.027 1.00 1.15 H new ATOM 0 HD22 LEU B 57 13.886 -5.335 3.105 1.00 1.15 H new ATOM 0 HD23 LEU B 57 13.767 -4.370 4.596 1.00 1.15 H new ATOM 2537 N ARG B 58 16.322 -7.614 5.425 1.00 0.42 N ATOM 2538 CA ARG B 58 15.906 -9.011 5.470 1.00 0.50 C ATOM 2539 C ARG B 58 15.257 -9.349 6.810 1.00 0.44 C ATOM 2540 O ARG B 58 14.189 -9.956 6.855 1.00 0.44 O ATOM 2541 CB ARG B 58 17.113 -9.918 5.225 1.00 0.65 C ATOM 2542 CG ARG B 58 16.800 -11.401 5.304 1.00 1.08 C ATOM 2543 CD ARG B 58 18.038 -12.234 5.028 1.00 1.12 C ATOM 2544 NE ARG B 58 17.810 -13.653 5.277 1.00 1.90 N ATOM 2545 CZ ARG B 58 18.671 -14.444 5.913 1.00 2.21 C ATOM 2546 NH1 ARG B 58 19.833 -13.958 6.339 1.00 1.97 N ATOM 2547 NH2 ARG B 58 18.378 -15.722 6.105 1.00 3.01 N ATOM 0 H ARG B 58 17.317 -7.483 5.243 1.00 0.42 H new ATOM 0 HA ARG B 58 15.166 -9.175 4.687 1.00 0.50 H new ATOM 0 HB2 ARG B 58 17.526 -9.697 4.241 1.00 0.65 H new ATOM 0 HB3 ARG B 58 17.886 -9.681 5.956 1.00 0.65 H new ATOM 0 HG2 ARG B 58 16.409 -11.641 6.292 1.00 1.08 H new ATOM 0 HG3 ARG B 58 16.021 -11.651 4.583 1.00 1.08 H new ATOM 0 HD2 ARG B 58 18.346 -12.093 3.992 1.00 1.12 H new ATOM 0 HD3 ARG B 58 18.858 -11.883 5.655 1.00 1.12 H new ATOM 0 HE ARG B 58 16.938 -14.064 4.944 1.00 1.90 H new ATOM 0 HH11 ARG B 58 20.065 -12.978 6.179 1.00 1.97 H new ATOM 0 HH12 ARG B 58 20.492 -14.565 6.826 1.00 1.97 H new ATOM 0 HH21 ARG B 58 17.493 -16.099 5.765 1.00 3.01 H new ATOM 0 HH22 ARG B 58 19.037 -16.329 6.592 1.00 3.01 H new ATOM 2561 N ASP B 59 15.905 -8.942 7.895 1.00 0.42 N ATOM 2562 CA ASP B 59 15.396 -9.194 9.242 1.00 0.43 C ATOM 2563 C ASP B 59 14.011 -8.590 9.419 1.00 0.37 C ATOM 2564 O ASP B 59 13.091 -9.250 9.898 1.00 0.39 O ATOM 2565 CB ASP B 59 16.352 -8.618 10.289 1.00 0.49 C ATOM 2566 CG ASP B 59 15.734 -8.546 11.674 1.00 0.58 C ATOM 2567 OD1 ASP B 59 15.371 -9.608 12.228 1.00 0.76 O ATOM 2568 OD2 ASP B 59 15.625 -7.429 12.221 1.00 0.78 O ATOM 0 H ASP B 59 16.789 -8.433 7.870 1.00 0.42 H new ATOM 0 HA ASP B 59 15.325 -10.273 9.380 1.00 0.43 H new ATOM 0 HB2 ASP B 59 17.252 -9.232 10.329 1.00 0.49 H new ATOM 0 HB3 ASP B 59 16.661 -7.619 9.982 1.00 0.49 H new ATOM 2573 N SER B 60 13.865 -7.339 9.003 1.00 0.33 N ATOM 2574 CA SER B 60 12.594 -6.638 9.113 1.00 0.33 C ATOM 2575 C SER B 60 11.522 -7.318 8.261 1.00 0.28 C ATOM 2576 O SER B 60 10.355 -7.379 8.650 1.00 0.29 O ATOM 2577 CB SER B 60 12.772 -5.177 8.701 1.00 0.39 C ATOM 2578 OG SER B 60 13.866 -4.591 9.393 1.00 1.41 O ATOM 0 H SER B 60 14.614 -6.788 8.585 1.00 0.33 H new ATOM 0 HA SER B 60 12.262 -6.672 10.151 1.00 0.33 H new ATOM 0 HB2 SER B 60 12.940 -5.115 7.626 1.00 0.39 H new ATOM 0 HB3 SER B 60 11.860 -4.620 8.914 1.00 0.39 H new ATOM 0 HG SER B 60 14.677 -4.667 8.848 1.00 1.41 H new ATOM 2584 N PHE B 61 11.929 -7.846 7.109 1.00 0.30 N ATOM 2585 CA PHE B 61 11.004 -8.539 6.219 1.00 0.32 C ATOM 2586 C PHE B 61 10.487 -9.813 6.877 1.00 0.33 C ATOM 2587 O PHE B 61 9.339 -10.198 6.690 1.00 0.34 O ATOM 2588 CB PHE B 61 11.676 -8.873 4.887 1.00 0.39 C ATOM 2589 CG PHE B 61 11.430 -7.851 3.814 1.00 0.43 C ATOM 2590 CD1 PHE B 61 10.961 -6.585 4.134 1.00 0.62 C ATOM 2591 CD2 PHE B 61 11.662 -8.157 2.484 1.00 0.59 C ATOM 2592 CE1 PHE B 61 10.731 -5.646 3.149 1.00 0.70 C ATOM 2593 CE2 PHE B 61 11.432 -7.221 1.494 1.00 0.65 C ATOM 2594 CZ PHE B 61 10.967 -5.964 1.827 1.00 0.60 C ATOM 0 H PHE B 61 12.891 -7.807 6.772 1.00 0.30 H new ATOM 0 HA PHE B 61 10.162 -7.875 6.023 1.00 0.32 H new ATOM 0 HB2 PHE B 61 12.750 -8.969 5.046 1.00 0.39 H new ATOM 0 HB3 PHE B 61 11.317 -9.843 4.542 1.00 0.39 H new ATOM 0 HD1 PHE B 61 10.774 -6.331 5.167 1.00 0.62 H new ATOM 0 HD2 PHE B 61 12.027 -9.138 2.217 1.00 0.59 H new ATOM 0 HE1 PHE B 61 10.367 -4.664 3.412 1.00 0.70 H new ATOM 0 HE2 PHE B 61 11.616 -7.472 0.460 1.00 0.65 H new ATOM 0 HZ PHE B 61 10.788 -5.231 1.054 1.00 0.60 H new ATOM 2604 N GLN B 62 11.340 -10.464 7.652 1.00 0.35 N ATOM 2605 CA GLN B 62 10.949 -11.680 8.347 1.00 0.41 C ATOM 2606 C GLN B 62 10.048 -11.333 9.530 1.00 0.37 C ATOM 2607 O GLN B 62 9.168 -12.108 9.904 1.00 0.40 O ATOM 2608 CB GLN B 62 12.181 -12.453 8.820 1.00 0.52 C ATOM 2609 CG GLN B 62 13.149 -12.799 7.697 1.00 0.79 C ATOM 2610 CD GLN B 62 12.542 -13.707 6.641 1.00 1.44 C ATOM 2611 OE1 GLN B 62 11.739 -14.668 7.070 1.00 2.08 O flip ATOM 2612 NE2 GLN B 62 12.813 -13.558 5.446 1.00 2.12 N flip ATOM 0 H GLN B 62 12.304 -10.172 7.815 1.00 0.35 H new ATOM 0 HA GLN B 62 10.397 -12.316 7.656 1.00 0.41 H new ATOM 0 HB2 GLN B 62 12.705 -11.862 9.571 1.00 0.52 H new ATOM 0 HB3 GLN B 62 11.858 -13.373 9.307 1.00 0.52 H new ATOM 0 HG2 GLN B 62 13.489 -11.878 7.223 1.00 0.79 H new ATOM 0 HG3 GLN B 62 14.029 -13.283 8.121 1.00 0.79 H new ATOM 0 HE21 GLN B 62 13.436 -12.805 5.154 1.00 2.12 H new ATOM 0 HE22 GLN B 62 12.414 -14.188 4.750 1.00 2.12 H new ATOM 2621 N GLN B 63 10.269 -10.151 10.102 1.00 0.34 N ATOM 2622 CA GLN B 63 9.473 -9.676 11.229 1.00 0.36 C ATOM 2623 C GLN B 63 8.029 -9.441 10.805 1.00 0.29 C ATOM 2624 O GLN B 63 7.097 -9.842 11.500 1.00 0.32 O ATOM 2625 CB GLN B 63 10.038 -8.369 11.789 1.00 0.44 C ATOM 2626 CG GLN B 63 11.388 -8.502 12.469 1.00 0.66 C ATOM 2627 CD GLN B 63 11.756 -7.249 13.239 1.00 0.76 C ATOM 2628 OE1 GLN B 63 10.890 -6.569 13.792 1.00 1.33 O ATOM 2629 NE2 GLN B 63 13.035 -6.927 13.274 1.00 1.23 N ATOM 0 H GLN B 63 10.997 -9.503 9.801 1.00 0.34 H new ATOM 0 HA GLN B 63 9.510 -10.445 12.000 1.00 0.36 H new ATOM 0 HB2 GLN B 63 10.125 -7.649 10.976 1.00 0.44 H new ATOM 0 HB3 GLN B 63 9.325 -7.958 12.504 1.00 0.44 H new ATOM 0 HG2 GLN B 63 11.370 -9.354 13.148 1.00 0.66 H new ATOM 0 HG3 GLN B 63 12.153 -8.707 11.721 1.00 0.66 H new ATOM 0 HE21 GLN B 63 13.722 -7.516 12.804 1.00 1.23 H new ATOM 0 HE22 GLN B 63 13.337 -6.089 13.772 1.00 1.23 H new ATOM 2638 N VAL B 64 7.847 -8.801 9.652 1.00 0.26 N ATOM 2639 CA VAL B 64 6.508 -8.508 9.151 1.00 0.26 C ATOM 2640 C VAL B 64 5.731 -9.798 8.871 1.00 0.26 C ATOM 2641 O VAL B 64 4.501 -9.826 8.970 1.00 0.28 O ATOM 2642 CB VAL B 64 6.542 -7.600 7.893 1.00 0.28 C ATOM 2643 CG1 VAL B 64 6.944 -8.371 6.645 1.00 0.31 C ATOM 2644 CG2 VAL B 64 5.199 -6.916 7.689 1.00 0.30 C ATOM 0 H VAL B 64 8.605 -8.478 9.051 1.00 0.26 H new ATOM 0 HA VAL B 64 5.988 -7.957 9.934 1.00 0.26 H new ATOM 0 HB VAL B 64 7.302 -6.838 8.064 1.00 0.28 H new ATOM 0 HG11 VAL B 64 6.955 -7.697 5.789 1.00 0.31 H new ATOM 0 HG12 VAL B 64 7.938 -8.796 6.784 1.00 0.31 H new ATOM 0 HG13 VAL B 64 6.228 -9.173 6.466 1.00 0.31 H new ATOM 0 HG21 VAL B 64 5.244 -6.284 6.802 1.00 0.30 H new ATOM 0 HG22 VAL B 64 4.423 -7.670 7.559 1.00 0.30 H new ATOM 0 HG23 VAL B 64 4.967 -6.303 8.560 1.00 0.30 H new ATOM 2654 N VAL B 65 6.453 -10.870 8.550 1.00 0.29 N ATOM 2655 CA VAL B 65 5.829 -12.161 8.290 1.00 0.33 C ATOM 2656 C VAL B 65 5.315 -12.751 9.602 1.00 0.37 C ATOM 2657 O VAL B 65 4.310 -13.461 9.636 1.00 0.45 O ATOM 2658 CB VAL B 65 6.816 -13.148 7.622 1.00 0.40 C ATOM 2659 CG1 VAL B 65 6.174 -14.511 7.417 1.00 0.48 C ATOM 2660 CG2 VAL B 65 7.314 -12.597 6.295 1.00 0.39 C ATOM 0 H VAL B 65 7.469 -10.868 8.464 1.00 0.29 H new ATOM 0 HA VAL B 65 4.999 -12.004 7.601 1.00 0.33 H new ATOM 0 HB VAL B 65 7.668 -13.269 8.291 1.00 0.40 H new ATOM 0 HG11 VAL B 65 6.891 -15.184 6.946 1.00 0.48 H new ATOM 0 HG12 VAL B 65 5.872 -14.920 8.381 1.00 0.48 H new ATOM 0 HG13 VAL B 65 5.298 -14.408 6.777 1.00 0.48 H new ATOM 0 HG21 VAL B 65 8.006 -13.307 5.843 1.00 0.39 H new ATOM 0 HG22 VAL B 65 6.468 -12.439 5.626 1.00 0.39 H new ATOM 0 HG23 VAL B 65 7.825 -11.649 6.463 1.00 0.39 H new ATOM 2670 N LYS B 66 6.009 -12.433 10.685 1.00 0.37 N ATOM 2671 CA LYS B 66 5.629 -12.906 12.007 1.00 0.45 C ATOM 2672 C LYS B 66 4.461 -12.082 12.541 1.00 0.41 C ATOM 2673 O LYS B 66 3.663 -12.561 13.347 1.00 0.49 O ATOM 2674 CB LYS B 66 6.820 -12.819 12.964 1.00 0.57 C ATOM 2675 CG LYS B 66 7.938 -13.797 12.638 1.00 0.74 C ATOM 2676 CD LYS B 66 9.228 -13.431 13.357 1.00 0.67 C ATOM 2677 CE LYS B 66 9.074 -13.517 14.868 1.00 1.44 C ATOM 2678 NZ LYS B 66 10.238 -12.924 15.576 1.00 2.19 N ATOM 0 H LYS B 66 6.843 -11.846 10.673 1.00 0.37 H new ATOM 0 HA LYS B 66 5.319 -13.948 11.932 1.00 0.45 H new ATOM 0 HB2 LYS B 66 7.219 -11.805 12.943 1.00 0.57 H new ATOM 0 HB3 LYS B 66 6.472 -13.004 13.980 1.00 0.57 H new ATOM 0 HG2 LYS B 66 7.635 -14.805 12.922 1.00 0.74 H new ATOM 0 HG3 LYS B 66 8.111 -13.808 11.562 1.00 0.74 H new ATOM 0 HD2 LYS B 66 10.027 -14.099 13.034 1.00 0.67 H new ATOM 0 HD3 LYS B 66 9.526 -12.420 13.078 1.00 0.67 H new ATOM 0 HE2 LYS B 66 8.163 -13.001 15.170 1.00 1.44 H new ATOM 0 HE3 LYS B 66 8.962 -14.560 15.163 1.00 1.44 H new ATOM 0 HZ1 LYS B 66 10.096 -13.002 16.603 1.00 2.19 H new ATOM 0 HZ2 LYS B 66 11.104 -13.433 15.307 1.00 2.19 H new ATOM 0 HZ3 LYS B 66 10.330 -11.922 15.314 1.00 2.19 H new ATOM 2692 N LEU B 67 4.369 -10.837 12.081 1.00 0.39 N ATOM 2693 CA LEU B 67 3.295 -9.942 12.499 1.00 0.43 C ATOM 2694 C LEU B 67 1.969 -10.362 11.870 1.00 0.62 C ATOM 2695 O LEU B 67 0.947 -10.422 12.552 1.00 1.30 O ATOM 2696 CB LEU B 67 3.620 -8.495 12.119 1.00 0.59 C ATOM 2697 CG LEU B 67 4.883 -7.918 12.767 1.00 0.54 C ATOM 2698 CD1 LEU B 67 5.162 -6.521 12.240 1.00 0.74 C ATOM 2699 CD2 LEU B 67 4.748 -7.895 14.283 1.00 0.79 C ATOM 0 H LEU B 67 5.026 -10.425 11.418 1.00 0.39 H new ATOM 0 HA LEU B 67 3.204 -10.007 13.583 1.00 0.43 H new ATOM 0 HB2 LEU B 67 3.727 -8.436 11.036 1.00 0.59 H new ATOM 0 HB3 LEU B 67 2.772 -7.866 12.390 1.00 0.59 H new ATOM 0 HG LEU B 67 5.723 -8.561 12.506 1.00 0.54 H new ATOM 0 HD11 LEU B 67 6.063 -6.127 12.711 1.00 0.74 H new ATOM 0 HD12 LEU B 67 5.306 -6.561 11.160 1.00 0.74 H new ATOM 0 HD13 LEU B 67 4.318 -5.870 12.470 1.00 0.74 H new ATOM 0 HD21 LEU B 67 5.656 -7.482 14.723 1.00 0.79 H new ATOM 0 HD22 LEU B 67 3.895 -7.277 14.563 1.00 0.79 H new ATOM 0 HD23 LEU B 67 4.596 -8.910 14.650 1.00 0.79 H new ATOM 2711 N LYS B 68 2.007 -10.651 10.568 1.00 0.48 N ATOM 2712 CA LYS B 68 0.825 -11.083 9.813 1.00 0.55 C ATOM 2713 C LYS B 68 -0.322 -10.074 9.901 1.00 0.47 C ATOM 2714 O LYS B 68 -1.226 -10.223 10.723 1.00 0.50 O ATOM 2715 CB LYS B 68 0.332 -12.452 10.301 1.00 0.69 C ATOM 2716 CG LYS B 68 1.170 -13.626 9.821 1.00 0.56 C ATOM 2717 CD LYS B 68 0.549 -14.949 10.240 1.00 0.67 C ATOM 2718 CE LYS B 68 1.321 -16.140 9.693 1.00 0.69 C ATOM 2719 NZ LYS B 68 0.621 -17.420 9.983 1.00 1.04 N ATOM 0 H LYS B 68 2.856 -10.593 10.006 1.00 0.48 H new ATOM 0 HA LYS B 68 1.136 -11.155 8.771 1.00 0.55 H new ATOM 0 HB2 LYS B 68 0.318 -12.453 11.391 1.00 0.69 H new ATOM 0 HB3 LYS B 68 -0.696 -12.595 9.968 1.00 0.69 H new ATOM 0 HG2 LYS B 68 1.262 -13.591 8.735 1.00 0.56 H new ATOM 0 HG3 LYS B 68 2.178 -13.548 10.229 1.00 0.56 H new ATOM 0 HD2 LYS B 68 0.518 -15.006 11.328 1.00 0.67 H new ATOM 0 HD3 LYS B 68 -0.482 -14.993 9.889 1.00 0.67 H new ATOM 0 HE2 LYS B 68 1.449 -16.029 8.616 1.00 0.69 H new ATOM 0 HE3 LYS B 68 2.319 -16.162 10.132 1.00 0.69 H new ATOM 0 HZ1 LYS B 68 0.792 -18.093 9.209 1.00 1.04 H new ATOM 0 HZ2 LYS B 68 0.981 -17.818 10.874 1.00 1.04 H new ATOM 0 HZ3 LYS B 68 -0.401 -17.245 10.070 1.00 1.04 H new ATOM 2733 N GLY B 69 -0.291 -9.053 9.057 1.00 0.50 N ATOM 2734 CA GLY B 69 -1.354 -8.065 9.068 1.00 0.59 C ATOM 2735 C GLY B 69 -0.976 -6.794 9.800 1.00 0.54 C ATOM 2736 O GLY B 69 -1.835 -6.109 10.357 1.00 0.57 O ATOM 0 H GLY B 69 0.444 -8.890 8.369 1.00 0.50 H new ATOM 0 HA2 GLY B 69 -1.624 -7.819 8.041 1.00 0.59 H new ATOM 0 HA3 GLY B 69 -2.239 -8.497 9.536 1.00 0.59 H new ATOM 2740 N GLN B 70 0.308 -6.483 9.810 1.00 0.50 N ATOM 2741 CA GLN B 70 0.797 -5.278 10.462 1.00 0.46 C ATOM 2742 C GLN B 70 1.891 -4.656 9.608 1.00 0.38 C ATOM 2743 O GLN B 70 2.541 -5.351 8.826 1.00 0.37 O ATOM 2744 CB GLN B 70 1.312 -5.591 11.872 1.00 0.50 C ATOM 2745 CG GLN B 70 1.559 -4.356 12.734 1.00 1.31 C ATOM 2746 CD GLN B 70 0.429 -3.342 12.663 1.00 1.89 C ATOM 2747 OE1 GLN B 70 0.449 -2.424 11.840 1.00 2.68 O ATOM 2748 NE2 GLN B 70 -0.564 -3.494 13.522 1.00 2.32 N ATOM 0 H GLN B 70 1.035 -7.050 9.373 1.00 0.50 H new ATOM 0 HA GLN B 70 -0.023 -4.567 10.565 1.00 0.46 H new ATOM 0 HB2 GLN B 70 0.591 -6.234 12.376 1.00 0.50 H new ATOM 0 HB3 GLN B 70 2.241 -6.156 11.791 1.00 0.50 H new ATOM 0 HG2 GLN B 70 1.697 -4.665 13.770 1.00 1.31 H new ATOM 0 HG3 GLN B 70 2.487 -3.879 12.418 1.00 1.31 H new ATOM 0 HE21 GLN B 70 -0.548 -4.265 14.189 1.00 2.32 H new ATOM 0 HE22 GLN B 70 -1.347 -2.840 13.518 1.00 2.32 H new ATOM 2757 N VAL B 71 2.077 -3.353 9.748 1.00 0.36 N ATOM 2758 CA VAL B 71 3.076 -2.638 8.973 1.00 0.32 C ATOM 2759 C VAL B 71 4.347 -2.388 9.786 1.00 0.31 C ATOM 2760 O VAL B 71 4.293 -1.985 10.950 1.00 0.39 O ATOM 2761 CB VAL B 71 2.513 -1.296 8.437 1.00 0.38 C ATOM 2762 CG1 VAL B 71 2.075 -0.382 9.574 1.00 1.28 C ATOM 2763 CG2 VAL B 71 3.529 -0.598 7.546 1.00 1.35 C ATOM 0 H VAL B 71 1.547 -2.768 10.394 1.00 0.36 H new ATOM 0 HA VAL B 71 3.335 -3.271 8.124 1.00 0.32 H new ATOM 0 HB VAL B 71 1.632 -1.525 7.837 1.00 0.38 H new ATOM 0 HG11 VAL B 71 1.686 0.549 9.163 1.00 1.28 H new ATOM 0 HG12 VAL B 71 1.297 -0.874 10.157 1.00 1.28 H new ATOM 0 HG13 VAL B 71 2.929 -0.166 10.217 1.00 1.28 H new ATOM 0 HG21 VAL B 71 3.110 0.341 7.183 1.00 1.35 H new ATOM 0 HG22 VAL B 71 4.435 -0.394 8.117 1.00 1.35 H new ATOM 0 HG23 VAL B 71 3.771 -1.239 6.699 1.00 1.35 H new ATOM 2773 N LEU B 72 5.487 -2.657 9.167 1.00 0.27 N ATOM 2774 CA LEU B 72 6.777 -2.449 9.801 1.00 0.29 C ATOM 2775 C LEU B 72 7.603 -1.484 8.959 1.00 0.31 C ATOM 2776 O LEU B 72 7.796 -1.708 7.763 1.00 0.44 O ATOM 2777 CB LEU B 72 7.524 -3.774 9.958 1.00 0.35 C ATOM 2778 CG LEU B 72 8.596 -3.779 11.048 1.00 0.44 C ATOM 2779 CD1 LEU B 72 7.985 -4.128 12.399 1.00 1.37 C ATOM 2780 CD2 LEU B 72 9.710 -4.751 10.694 1.00 1.05 C ATOM 0 H LEU B 72 5.542 -3.023 8.217 1.00 0.27 H new ATOM 0 HA LEU B 72 6.618 -2.027 10.793 1.00 0.29 H new ATOM 0 HB2 LEU B 72 6.800 -4.560 10.176 1.00 0.35 H new ATOM 0 HB3 LEU B 72 7.992 -4.026 9.006 1.00 0.35 H new ATOM 0 HG LEU B 72 9.023 -2.779 11.116 1.00 0.44 H new ATOM 0 HD11 LEU B 72 8.764 -4.126 13.162 1.00 1.37 H new ATOM 0 HD12 LEU B 72 7.224 -3.391 12.656 1.00 1.37 H new ATOM 0 HD13 LEU B 72 7.529 -5.117 12.348 1.00 1.37 H new ATOM 0 HD21 LEU B 72 10.464 -4.742 11.481 1.00 1.05 H new ATOM 0 HD22 LEU B 72 9.299 -5.756 10.597 1.00 1.05 H new ATOM 0 HD23 LEU B 72 10.166 -4.453 9.750 1.00 1.05 H new ATOM 2792 N SER B 73 8.074 -0.414 9.577 1.00 0.27 N ATOM 2793 CA SER B 73 8.862 0.590 8.877 1.00 0.33 C ATOM 2794 C SER B 73 10.350 0.438 9.178 1.00 0.28 C ATOM 2795 O SER B 73 10.785 0.607 10.319 1.00 0.31 O ATOM 2796 CB SER B 73 8.391 1.990 9.275 1.00 0.48 C ATOM 2797 OG SER B 73 7.002 2.156 9.040 1.00 1.38 O ATOM 0 H SER B 73 7.924 -0.217 10.566 1.00 0.27 H new ATOM 0 HA SER B 73 8.718 0.446 7.806 1.00 0.33 H new ATOM 0 HB2 SER B 73 8.606 2.161 10.330 1.00 0.48 H new ATOM 0 HB3 SER B 73 8.949 2.737 8.710 1.00 0.48 H new ATOM 0 HG SER B 73 6.731 3.060 9.306 1.00 1.38 H new ATOM 2803 N VAL B 74 11.126 0.114 8.154 1.00 0.29 N ATOM 2804 CA VAL B 74 12.566 -0.044 8.305 1.00 0.28 C ATOM 2805 C VAL B 74 13.295 1.104 7.606 1.00 0.23 C ATOM 2806 O VAL B 74 12.995 1.438 6.462 1.00 0.24 O ATOM 2807 CB VAL B 74 13.052 -1.411 7.755 1.00 0.34 C ATOM 2808 CG1 VAL B 74 12.668 -1.591 6.293 1.00 0.35 C ATOM 2809 CG2 VAL B 74 14.556 -1.573 7.940 1.00 0.41 C ATOM 0 H VAL B 74 10.782 -0.045 7.207 1.00 0.29 H new ATOM 0 HA VAL B 74 12.797 -0.019 9.370 1.00 0.28 H new ATOM 0 HB VAL B 74 12.552 -2.190 8.330 1.00 0.34 H new ATOM 0 HG11 VAL B 74 13.024 -2.559 5.940 1.00 0.35 H new ATOM 0 HG12 VAL B 74 11.584 -1.545 6.193 1.00 0.35 H new ATOM 0 HG13 VAL B 74 13.121 -0.799 5.698 1.00 0.35 H new ATOM 0 HG21 VAL B 74 14.869 -2.540 7.546 1.00 0.41 H new ATOM 0 HG22 VAL B 74 15.076 -0.778 7.406 1.00 0.41 H new ATOM 0 HG23 VAL B 74 14.800 -1.518 9.001 1.00 0.41 H new ATOM 2819 N MET B 75 14.231 1.728 8.307 1.00 0.21 N ATOM 2820 CA MET B 75 14.979 2.841 7.745 1.00 0.20 C ATOM 2821 C MET B 75 16.397 2.420 7.393 1.00 0.20 C ATOM 2822 O MET B 75 17.154 1.963 8.251 1.00 0.24 O ATOM 2823 CB MET B 75 15.015 4.019 8.721 1.00 0.26 C ATOM 2824 CG MET B 75 15.534 5.304 8.092 1.00 0.29 C ATOM 2825 SD MET B 75 15.632 6.666 9.267 1.00 0.41 S ATOM 2826 CE MET B 75 16.907 6.066 10.372 1.00 0.41 C ATOM 0 H MET B 75 14.489 1.483 9.263 1.00 0.21 H new ATOM 0 HA MET B 75 14.471 3.154 6.833 1.00 0.20 H new ATOM 0 HB2 MET B 75 14.011 4.192 9.109 1.00 0.26 H new ATOM 0 HB3 MET B 75 15.645 3.758 9.572 1.00 0.26 H new ATOM 0 HG2 MET B 75 16.522 5.123 7.669 1.00 0.29 H new ATOM 0 HG3 MET B 75 14.882 5.588 7.267 1.00 0.29 H new ATOM 0 HE1 MET B 75 16.467 5.830 11.341 1.00 0.41 H new ATOM 0 HE2 MET B 75 17.360 5.168 9.951 1.00 0.41 H new ATOM 0 HE3 MET B 75 17.671 6.834 10.497 1.00 0.41 H new ATOM 2836 N PHE B 76 16.748 2.584 6.128 1.00 0.21 N ATOM 2837 CA PHE B 76 18.070 2.230 5.638 1.00 0.23 C ATOM 2838 C PHE B 76 18.426 3.111 4.446 1.00 0.22 C ATOM 2839 O PHE B 76 17.705 4.059 4.132 1.00 0.21 O ATOM 2840 CB PHE B 76 18.116 0.747 5.243 1.00 0.26 C ATOM 2841 CG PHE B 76 17.160 0.377 4.140 1.00 0.27 C ATOM 2842 CD1 PHE B 76 15.832 0.094 4.419 1.00 0.31 C ATOM 2843 CD2 PHE B 76 17.589 0.316 2.825 1.00 0.31 C ATOM 2844 CE1 PHE B 76 14.953 -0.240 3.408 1.00 0.37 C ATOM 2845 CE2 PHE B 76 16.713 -0.016 1.809 1.00 0.36 C ATOM 2846 CZ PHE B 76 15.394 -0.295 2.101 1.00 0.38 C ATOM 0 H PHE B 76 16.127 2.965 5.414 1.00 0.21 H new ATOM 0 HA PHE B 76 18.800 2.393 6.431 1.00 0.23 H new ATOM 0 HB2 PHE B 76 19.130 0.496 4.931 1.00 0.26 H new ATOM 0 HB3 PHE B 76 17.894 0.141 6.121 1.00 0.26 H new ATOM 0 HD1 PHE B 76 15.481 0.135 5.439 1.00 0.31 H new ATOM 0 HD2 PHE B 76 18.621 0.531 2.590 1.00 0.31 H new ATOM 0 HE1 PHE B 76 13.921 -0.458 3.640 1.00 0.37 H new ATOM 0 HE2 PHE B 76 17.061 -0.057 0.787 1.00 0.36 H new ATOM 0 HZ PHE B 76 14.708 -0.556 1.309 1.00 0.38 H new ATOM 2856 N ARG B 77 19.529 2.803 3.787 1.00 0.25 N ATOM 2857 CA ARG B 77 19.948 3.570 2.628 1.00 0.25 C ATOM 2858 C ARG B 77 19.706 2.777 1.351 1.00 0.23 C ATOM 2859 O ARG B 77 20.372 1.776 1.090 1.00 0.26 O ATOM 2860 CB ARG B 77 21.418 3.972 2.745 1.00 0.30 C ATOM 2861 CG ARG B 77 21.603 5.388 3.263 1.00 0.48 C ATOM 2862 CD ARG B 77 23.055 5.681 3.594 1.00 0.63 C ATOM 2863 NE ARG B 77 23.525 4.888 4.726 1.00 1.50 N ATOM 2864 CZ ARG B 77 24.719 5.039 5.292 1.00 1.87 C ATOM 2865 NH1 ARG B 77 25.545 5.980 4.859 1.00 1.59 N ATOM 2866 NH2 ARG B 77 25.072 4.262 6.306 1.00 2.97 N ATOM 0 H ARG B 77 20.148 2.031 4.033 1.00 0.25 H new ATOM 0 HA ARG B 77 19.352 4.482 2.586 1.00 0.25 H new ATOM 0 HB2 ARG B 77 21.928 3.277 3.412 1.00 0.30 H new ATOM 0 HB3 ARG B 77 21.893 3.883 1.768 1.00 0.30 H new ATOM 0 HG2 ARG B 77 21.250 6.098 2.515 1.00 0.48 H new ATOM 0 HG3 ARG B 77 20.991 5.532 4.153 1.00 0.48 H new ATOM 0 HD2 ARG B 77 23.675 5.473 2.722 1.00 0.63 H new ATOM 0 HD3 ARG B 77 23.169 6.741 3.821 1.00 0.63 H new ATOM 0 HE ARG B 77 22.901 4.176 5.105 1.00 1.50 H new ATOM 0 HH11 ARG B 77 25.265 6.590 4.091 1.00 1.59 H new ATOM 0 HH12 ARG B 77 26.460 6.095 5.294 1.00 1.59 H new ATOM 0 HH21 ARG B 77 24.428 3.550 6.651 1.00 2.97 H new ATOM 0 HH22 ARG B 77 25.987 4.376 6.741 1.00 2.97 H new ATOM 2880 N PHE B 78 18.735 3.222 0.573 1.00 0.24 N ATOM 2881 CA PHE B 78 18.385 2.562 -0.676 1.00 0.23 C ATOM 2882 C PHE B 78 19.195 3.159 -1.820 1.00 0.21 C ATOM 2883 O PHE B 78 19.597 4.322 -1.758 1.00 0.22 O ATOM 2884 CB PHE B 78 16.885 2.720 -0.943 1.00 0.27 C ATOM 2885 CG PHE B 78 16.329 1.740 -1.941 1.00 0.27 C ATOM 2886 CD1 PHE B 78 16.183 0.404 -1.609 1.00 0.34 C ATOM 2887 CD2 PHE B 78 15.944 2.158 -3.206 1.00 0.33 C ATOM 2888 CE1 PHE B 78 15.666 -0.498 -2.518 1.00 0.37 C ATOM 2889 CE2 PHE B 78 15.425 1.261 -4.120 1.00 0.37 C ATOM 2890 CZ PHE B 78 15.286 -0.069 -3.776 1.00 0.33 C ATOM 0 H PHE B 78 18.170 4.044 0.785 1.00 0.24 H new ATOM 0 HA PHE B 78 18.617 1.500 -0.601 1.00 0.23 H new ATOM 0 HB2 PHE B 78 16.346 2.608 -0.002 1.00 0.27 H new ATOM 0 HB3 PHE B 78 16.696 3.732 -1.300 1.00 0.27 H new ATOM 0 HD1 PHE B 78 16.477 0.063 -0.627 1.00 0.34 H new ATOM 0 HD2 PHE B 78 16.051 3.197 -3.480 1.00 0.33 H new ATOM 0 HE1 PHE B 78 15.559 -1.538 -2.246 1.00 0.37 H new ATOM 0 HE2 PHE B 78 15.129 1.600 -5.102 1.00 0.37 H new ATOM 0 HZ PHE B 78 14.881 -0.773 -4.488 1.00 0.33 H new ATOM 2900 N ARG B 79 19.446 2.363 -2.847 1.00 0.25 N ATOM 2901 CA ARG B 79 20.207 2.825 -3.995 1.00 0.26 C ATOM 2902 C ARG B 79 19.275 3.422 -5.042 1.00 0.26 C ATOM 2903 O ARG B 79 18.252 2.832 -5.377 1.00 0.36 O ATOM 2904 CB ARG B 79 21.001 1.670 -4.604 1.00 0.36 C ATOM 2905 CG ARG B 79 22.213 2.122 -5.397 1.00 0.33 C ATOM 2906 CD ARG B 79 22.895 0.956 -6.093 1.00 0.56 C ATOM 2907 NE ARG B 79 22.096 0.435 -7.201 1.00 1.04 N ATOM 2908 CZ ARG B 79 22.415 -0.646 -7.908 1.00 1.28 C ATOM 2909 NH1 ARG B 79 23.537 -1.305 -7.654 1.00 1.06 N ATOM 2910 NH2 ARG B 79 21.620 -1.044 -8.891 1.00 2.22 N ATOM 0 H ARG B 79 19.134 1.394 -2.908 1.00 0.25 H new ATOM 0 HA ARG B 79 20.903 3.595 -3.661 1.00 0.26 H new ATOM 0 HB2 ARG B 79 21.327 1.003 -3.806 1.00 0.36 H new ATOM 0 HB3 ARG B 79 20.345 1.092 -5.255 1.00 0.36 H new ATOM 0 HG2 ARG B 79 21.908 2.861 -6.138 1.00 0.33 H new ATOM 0 HG3 ARG B 79 22.922 2.613 -4.730 1.00 0.33 H new ATOM 0 HD2 ARG B 79 23.868 1.276 -6.467 1.00 0.56 H new ATOM 0 HD3 ARG B 79 23.077 0.159 -5.371 1.00 0.56 H new ATOM 0 HE ARG B 79 21.240 0.932 -7.448 1.00 1.04 H new ATOM 0 HH11 ARG B 79 24.161 -0.984 -6.913 1.00 1.06 H new ATOM 0 HH12 ARG B 79 23.777 -2.133 -8.199 1.00 1.06 H new ATOM 0 HH21 ARG B 79 20.769 -0.522 -9.102 1.00 2.22 H new ATOM 0 HH22 ARG B 79 21.859 -1.872 -9.437 1.00 2.22 H new ATOM 2924 N SER B 80 19.625 4.594 -5.546 1.00 0.25 N ATOM 2925 CA SER B 80 18.817 5.256 -6.556 1.00 0.33 C ATOM 2926 C SER B 80 19.323 4.919 -7.954 1.00 0.32 C ATOM 2927 O SER B 80 20.212 4.082 -8.117 1.00 0.32 O ATOM 2928 CB SER B 80 18.854 6.770 -6.348 1.00 0.46 C ATOM 2929 OG SER B 80 20.137 7.292 -6.650 1.00 1.06 O ATOM 0 H SER B 80 20.463 5.106 -5.272 1.00 0.25 H new ATOM 0 HA SER B 80 17.790 4.903 -6.459 1.00 0.33 H new ATOM 0 HB2 SER B 80 18.105 7.246 -6.981 1.00 0.46 H new ATOM 0 HB3 SER B 80 18.595 7.006 -5.316 1.00 0.46 H new ATOM 0 HG SER B 80 20.047 8.211 -6.978 1.00 1.06 H new ATOM 2935 N LYS B 81 18.764 5.593 -8.956 1.00 0.35 N ATOM 2936 CA LYS B 81 19.159 5.394 -10.344 1.00 0.37 C ATOM 2937 C LYS B 81 20.580 5.915 -10.557 1.00 0.40 C ATOM 2938 O LYS B 81 21.245 5.574 -11.535 1.00 0.48 O ATOM 2939 CB LYS B 81 18.173 6.118 -11.271 1.00 0.41 C ATOM 2940 CG LYS B 81 18.324 5.772 -12.745 1.00 0.45 C ATOM 2941 CD LYS B 81 17.972 4.323 -13.022 1.00 0.47 C ATOM 2942 CE LYS B 81 17.930 4.037 -14.513 1.00 0.67 C ATOM 2943 NZ LYS B 81 18.002 2.583 -14.797 1.00 1.69 N ATOM 0 H LYS B 81 18.029 6.288 -8.828 1.00 0.35 H new ATOM 0 HA LYS B 81 19.141 4.330 -10.579 1.00 0.37 H new ATOM 0 HB2 LYS B 81 17.157 5.880 -10.957 1.00 0.41 H new ATOM 0 HB3 LYS B 81 18.301 7.193 -11.148 1.00 0.41 H new ATOM 0 HG2 LYS B 81 17.681 6.422 -13.339 1.00 0.45 H new ATOM 0 HG3 LYS B 81 19.350 5.964 -13.060 1.00 0.45 H new ATOM 0 HD2 LYS B 81 18.705 3.672 -12.546 1.00 0.47 H new ATOM 0 HD3 LYS B 81 17.004 4.091 -12.578 1.00 0.47 H new ATOM 0 HE2 LYS B 81 17.012 4.445 -14.936 1.00 0.67 H new ATOM 0 HE3 LYS B 81 18.760 4.545 -15.004 1.00 0.67 H new ATOM 0 HZ1 LYS B 81 18.823 2.388 -15.405 1.00 1.69 H new ATOM 0 HZ2 LYS B 81 18.101 2.059 -13.904 1.00 1.69 H new ATOM 0 HZ3 LYS B 81 17.133 2.280 -15.281 1.00 1.69 H new ATOM 2957 N ASN B 82 21.036 6.741 -9.620 1.00 0.39 N ATOM 2958 CA ASN B 82 22.376 7.315 -9.675 1.00 0.45 C ATOM 2959 C ASN B 82 23.355 6.429 -8.919 1.00 0.43 C ATOM 2960 O ASN B 82 24.537 6.749 -8.810 1.00 0.50 O ATOM 2961 CB ASN B 82 22.396 8.719 -9.061 1.00 0.53 C ATOM 2962 CG ASN B 82 21.518 9.707 -9.800 1.00 0.95 C ATOM 2963 OD1 ASN B 82 21.376 9.650 -11.024 1.00 1.75 O ATOM 2964 ND2 ASN B 82 20.916 10.617 -9.055 1.00 0.81 N ATOM 0 H ASN B 82 20.492 7.029 -8.807 1.00 0.39 H new ATOM 0 HA ASN B 82 22.670 7.382 -10.723 1.00 0.45 H new ATOM 0 HB2 ASN B 82 22.070 8.659 -8.023 1.00 0.53 H new ATOM 0 HB3 ASN B 82 23.421 9.090 -9.052 1.00 0.53 H new ATOM 0 HD21 ASN B 82 20.305 11.309 -9.489 1.00 0.81 H new ATOM 0 HD22 ASN B 82 21.062 10.627 -8.046 1.00 0.81 H new ATOM 2971 N GLN B 83 22.842 5.319 -8.391 1.00 0.37 N ATOM 2972 CA GLN B 83 23.640 4.361 -7.626 1.00 0.40 C ATOM 2973 C GLN B 83 24.136 4.976 -6.317 1.00 0.37 C ATOM 2974 O GLN B 83 25.141 4.539 -5.751 1.00 0.46 O ATOM 2975 CB GLN B 83 24.815 3.829 -8.456 1.00 0.53 C ATOM 2976 CG GLN B 83 24.495 2.549 -9.212 1.00 0.63 C ATOM 2977 CD GLN B 83 23.344 2.707 -10.190 1.00 0.90 C ATOM 2978 OE1 GLN B 83 22.181 2.502 -9.839 1.00 1.62 O ATOM 2979 NE2 GLN B 83 23.656 3.074 -11.421 1.00 0.87 N ATOM 0 H GLN B 83 21.860 5.058 -8.481 1.00 0.37 H new ATOM 0 HA GLN B 83 22.994 3.519 -7.379 1.00 0.40 H new ATOM 0 HB2 GLN B 83 25.122 4.595 -9.168 1.00 0.53 H new ATOM 0 HB3 GLN B 83 25.663 3.649 -7.796 1.00 0.53 H new ATOM 0 HG2 GLN B 83 25.383 2.223 -9.754 1.00 0.63 H new ATOM 0 HG3 GLN B 83 24.251 1.763 -8.497 1.00 0.63 H new ATOM 0 HE21 GLN B 83 24.631 3.234 -11.674 1.00 0.87 H new ATOM 0 HE22 GLN B 83 22.922 3.197 -12.118 1.00 0.87 H new ATOM 2988 N GLU B 84 23.415 5.980 -5.834 1.00 0.37 N ATOM 2989 CA GLU B 84 23.765 6.641 -4.586 1.00 0.38 C ATOM 2990 C GLU B 84 22.970 6.017 -3.446 1.00 0.31 C ATOM 2991 O GLU B 84 22.011 5.284 -3.687 1.00 0.42 O ATOM 2992 CB GLU B 84 23.491 8.148 -4.676 1.00 0.53 C ATOM 2993 CG GLU B 84 22.018 8.512 -4.566 1.00 1.22 C ATOM 2994 CD GLU B 84 21.723 9.931 -4.998 1.00 2.08 C ATOM 2995 OE1 GLU B 84 22.019 10.870 -4.229 1.00 2.45 O ATOM 2996 OE2 GLU B 84 21.177 10.117 -6.108 1.00 2.78 O ATOM 0 H GLU B 84 22.583 6.354 -6.290 1.00 0.37 H new ATOM 0 HA GLU B 84 24.830 6.507 -4.396 1.00 0.38 H new ATOM 0 HB2 GLU B 84 24.041 8.656 -3.884 1.00 0.53 H new ATOM 0 HB3 GLU B 84 23.878 8.522 -5.624 1.00 0.53 H new ATOM 0 HG2 GLU B 84 21.433 7.824 -5.177 1.00 1.22 H new ATOM 0 HG3 GLU B 84 21.693 8.378 -3.534 1.00 1.22 H new ATOM 3003 N TRP B 85 23.363 6.305 -2.217 1.00 0.32 N ATOM 3004 CA TRP B 85 22.680 5.756 -1.056 1.00 0.33 C ATOM 3005 C TRP B 85 21.908 6.846 -0.318 1.00 0.33 C ATOM 3006 O TRP B 85 22.500 7.727 0.310 1.00 0.45 O ATOM 3007 CB TRP B 85 23.686 5.090 -0.111 1.00 0.41 C ATOM 3008 CG TRP B 85 24.603 4.120 -0.797 1.00 0.42 C ATOM 3009 CD1 TRP B 85 25.933 4.292 -1.053 1.00 0.66 C ATOM 3010 CD2 TRP B 85 24.260 2.829 -1.319 1.00 0.50 C ATOM 3011 NE1 TRP B 85 26.438 3.189 -1.697 1.00 0.63 N ATOM 3012 CE2 TRP B 85 25.431 2.278 -1.874 1.00 0.50 C ATOM 3013 CE3 TRP B 85 23.078 2.086 -1.370 1.00 0.84 C ATOM 3014 CZ2 TRP B 85 25.453 1.022 -2.473 1.00 0.67 C ATOM 3015 CZ3 TRP B 85 23.102 0.838 -1.964 1.00 1.10 C ATOM 3016 CH2 TRP B 85 24.281 0.316 -2.507 1.00 0.97 C ATOM 0 H TRP B 85 24.150 6.915 -1.996 1.00 0.32 H new ATOM 0 HA TRP B 85 21.971 5.004 -1.402 1.00 0.33 H new ATOM 0 HB2 TRP B 85 24.284 5.862 0.373 1.00 0.41 H new ATOM 0 HB3 TRP B 85 23.142 4.568 0.676 1.00 0.41 H new ATOM 0 HD1 TRP B 85 26.505 5.169 -0.787 1.00 0.66 H new ATOM 0 HE1 TRP B 85 27.406 3.068 -1.995 1.00 0.63 H new ATOM 0 HE3 TRP B 85 22.163 2.479 -0.953 1.00 0.84 H new ATOM 0 HZ2 TRP B 85 26.362 0.619 -2.896 1.00 0.67 H new ATOM 0 HZ3 TRP B 85 22.194 0.255 -2.010 1.00 1.10 H new ATOM 0 HH2 TRP B 85 24.266 -0.663 -2.962 1.00 0.97 H new ATOM 3027 N LEU B 86 20.588 6.782 -0.397 1.00 0.28 N ATOM 3028 CA LEU B 86 19.731 7.761 0.260 1.00 0.29 C ATOM 3029 C LEU B 86 18.946 7.105 1.388 1.00 0.26 C ATOM 3030 O LEU B 86 18.547 5.946 1.283 1.00 0.28 O ATOM 3031 CB LEU B 86 18.769 8.403 -0.746 1.00 0.34 C ATOM 3032 CG LEU B 86 17.856 7.425 -1.489 1.00 0.42 C ATOM 3033 CD1 LEU B 86 16.421 7.931 -1.495 1.00 0.96 C ATOM 3034 CD2 LEU B 86 18.353 7.210 -2.911 1.00 1.03 C ATOM 0 H LEU B 86 20.084 6.060 -0.911 1.00 0.28 H new ATOM 0 HA LEU B 86 20.365 8.542 0.679 1.00 0.29 H new ATOM 0 HB2 LEU B 86 18.147 9.127 -0.219 1.00 0.34 H new ATOM 0 HB3 LEU B 86 19.353 8.959 -1.480 1.00 0.34 H new ATOM 0 HG LEU B 86 17.879 6.468 -0.967 1.00 0.42 H new ATOM 0 HD11 LEU B 86 15.787 7.222 -2.028 1.00 0.96 H new ATOM 0 HD12 LEU B 86 16.067 8.034 -0.469 1.00 0.96 H new ATOM 0 HD13 LEU B 86 16.379 8.900 -1.992 1.00 0.96 H new ATOM 0 HD21 LEU B 86 17.693 6.512 -3.426 1.00 1.03 H new ATOM 0 HD22 LEU B 86 18.360 8.162 -3.442 1.00 1.03 H new ATOM 0 HD23 LEU B 86 19.363 6.802 -2.885 1.00 1.03 H new ATOM 3046 N TRP B 87 18.732 7.846 2.463 1.00 0.28 N ATOM 3047 CA TRP B 87 17.999 7.333 3.610 1.00 0.29 C ATOM 3048 C TRP B 87 16.506 7.266 3.318 1.00 0.29 C ATOM 3049 O TRP B 87 15.837 8.292 3.172 1.00 0.39 O ATOM 3050 CB TRP B 87 18.257 8.203 4.839 1.00 0.33 C ATOM 3051 CG TRP B 87 19.537 7.869 5.544 1.00 0.38 C ATOM 3052 CD1 TRP B 87 20.742 8.499 5.410 1.00 0.47 C ATOM 3053 CD2 TRP B 87 19.739 6.815 6.491 1.00 0.40 C ATOM 3054 NE1 TRP B 87 21.675 7.905 6.224 1.00 0.53 N ATOM 3055 CE2 TRP B 87 21.083 6.869 6.897 1.00 0.48 C ATOM 3056 CE3 TRP B 87 18.910 5.832 7.038 1.00 0.43 C ATOM 3057 CZ2 TRP B 87 21.618 5.979 7.824 1.00 0.53 C ATOM 3058 CZ3 TRP B 87 19.441 4.949 7.957 1.00 0.50 C ATOM 3059 CH2 TRP B 87 20.783 5.028 8.342 1.00 0.53 C ATOM 0 H TRP B 87 19.056 8.808 2.566 1.00 0.28 H new ATOM 0 HA TRP B 87 18.353 6.322 3.812 1.00 0.29 H new ATOM 0 HB2 TRP B 87 18.280 9.250 4.536 1.00 0.33 H new ATOM 0 HB3 TRP B 87 17.426 8.091 5.536 1.00 0.33 H new ATOM 0 HD1 TRP B 87 20.933 9.340 4.760 1.00 0.47 H new ATOM 0 HE1 TRP B 87 22.651 8.189 6.313 1.00 0.53 H new ATOM 0 HE3 TRP B 87 17.872 5.764 6.747 1.00 0.43 H new ATOM 0 HZ2 TRP B 87 22.654 6.037 8.123 1.00 0.53 H new ATOM 0 HZ3 TRP B 87 18.810 4.185 8.386 1.00 0.50 H new ATOM 0 HH2 TRP B 87 21.168 4.323 9.064 1.00 0.53 H new ATOM 3070 N MET B 88 15.989 6.053 3.233 1.00 0.31 N ATOM 3071 CA MET B 88 14.581 5.843 2.958 1.00 0.39 C ATOM 3072 C MET B 88 13.984 4.885 3.979 1.00 0.37 C ATOM 3073 O MET B 88 14.641 3.941 4.421 1.00 0.40 O ATOM 3074 CB MET B 88 14.395 5.298 1.538 1.00 0.52 C ATOM 3075 CG MET B 88 12.943 5.249 1.086 1.00 0.73 C ATOM 3076 SD MET B 88 12.722 5.783 -0.623 1.00 1.53 S ATOM 3077 CE MET B 88 13.519 4.439 -1.498 1.00 0.91 C ATOM 0 H MET B 88 16.528 5.195 3.351 1.00 0.31 H new ATOM 0 HA MET B 88 14.061 6.798 3.033 1.00 0.39 H new ATOM 0 HB2 MET B 88 14.962 5.918 0.843 1.00 0.52 H new ATOM 0 HB3 MET B 88 14.816 4.294 1.486 1.00 0.52 H new ATOM 0 HG2 MET B 88 12.568 4.231 1.195 1.00 0.73 H new ATOM 0 HG3 MET B 88 12.343 5.882 1.740 1.00 0.73 H new ATOM 0 HE1 MET B 88 13.059 4.320 -2.479 1.00 0.91 H new ATOM 0 HE2 MET B 88 14.579 4.661 -1.618 1.00 0.91 H new ATOM 0 HE3 MET B 88 13.404 3.516 -0.930 1.00 0.91 H new ATOM 3087 N ARG B 89 12.751 5.154 4.373 1.00 0.36 N ATOM 3088 CA ARG B 89 12.057 4.321 5.336 1.00 0.37 C ATOM 3089 C ARG B 89 10.981 3.512 4.627 1.00 0.36 C ATOM 3090 O ARG B 89 9.962 4.057 4.198 1.00 0.42 O ATOM 3091 CB ARG B 89 11.434 5.184 6.433 1.00 0.44 C ATOM 3092 CG ARG B 89 10.850 4.378 7.580 1.00 0.58 C ATOM 3093 CD ARG B 89 9.721 5.127 8.261 1.00 0.97 C ATOM 3094 NE ARG B 89 8.656 5.470 7.319 1.00 2.01 N ATOM 3095 CZ ARG B 89 7.723 6.389 7.548 1.00 2.63 C ATOM 3096 NH1 ARG B 89 7.686 7.039 8.705 1.00 2.41 N ATOM 3097 NH2 ARG B 89 6.821 6.658 6.614 1.00 3.80 N ATOM 0 H ARG B 89 12.208 5.949 4.037 1.00 0.36 H new ATOM 0 HA ARG B 89 12.771 3.640 5.799 1.00 0.37 H new ATOM 0 HB2 ARG B 89 12.192 5.862 6.825 1.00 0.44 H new ATOM 0 HB3 ARG B 89 10.649 5.801 5.997 1.00 0.44 H new ATOM 0 HG2 ARG B 89 10.482 3.423 7.206 1.00 0.58 H new ATOM 0 HG3 ARG B 89 11.632 4.156 8.306 1.00 0.58 H new ATOM 0 HD2 ARG B 89 9.312 4.516 9.066 1.00 0.97 H new ATOM 0 HD3 ARG B 89 10.111 6.037 8.717 1.00 0.97 H new ATOM 0 HE ARG B 89 8.627 4.972 6.429 1.00 2.01 H new ATOM 0 HH11 ARG B 89 8.377 6.835 9.427 1.00 2.41 H new ATOM 0 HH12 ARG B 89 6.967 7.743 8.872 1.00 2.41 H new ATOM 0 HH21 ARG B 89 6.845 6.161 5.724 1.00 3.80 H new ATOM 0 HH22 ARG B 89 6.104 7.362 6.786 1.00 3.80 H new ATOM 3111 N THR B 90 11.221 2.222 4.492 1.00 0.33 N ATOM 3112 CA THR B 90 10.290 1.336 3.820 1.00 0.34 C ATOM 3113 C THR B 90 9.326 0.671 4.805 1.00 0.31 C ATOM 3114 O THR B 90 9.736 -0.107 5.667 1.00 0.34 O ATOM 3115 CB THR B 90 11.052 0.254 3.037 1.00 0.38 C ATOM 3116 OG1 THR B 90 12.158 0.849 2.347 1.00 0.43 O ATOM 3117 CG2 THR B 90 10.139 -0.436 2.037 1.00 0.43 C ATOM 0 H THR B 90 12.061 1.761 4.842 1.00 0.33 H new ATOM 0 HA THR B 90 9.705 1.944 3.130 1.00 0.34 H new ATOM 0 HB THR B 90 11.416 -0.492 3.744 1.00 0.38 H new ATOM 0 HG1 THR B 90 11.862 1.169 1.469 1.00 0.43 H new ATOM 0 HG21 THR B 90 10.701 -1.197 1.496 1.00 0.43 H new ATOM 0 HG22 THR B 90 9.309 -0.905 2.565 1.00 0.43 H new ATOM 0 HG23 THR B 90 9.751 0.299 1.332 1.00 0.43 H new ATOM 3125 N SER B 91 8.050 1.005 4.681 1.00 0.28 N ATOM 3126 CA SER B 91 7.012 0.439 5.528 1.00 0.27 C ATOM 3127 C SER B 91 6.331 -0.730 4.815 1.00 0.23 C ATOM 3128 O SER B 91 5.602 -0.536 3.842 1.00 0.28 O ATOM 3129 CB SER B 91 5.992 1.521 5.880 1.00 0.36 C ATOM 3130 OG SER B 91 6.641 2.685 6.370 1.00 0.97 O ATOM 0 H SER B 91 7.706 1.674 3.992 1.00 0.28 H new ATOM 0 HA SER B 91 7.461 0.065 6.448 1.00 0.27 H new ATOM 0 HB2 SER B 91 5.402 1.772 4.998 1.00 0.36 H new ATOM 0 HB3 SER B 91 5.298 1.143 6.631 1.00 0.36 H new ATOM 0 HG SER B 91 6.739 2.620 7.343 1.00 0.97 H new ATOM 3136 N SER B 92 6.576 -1.938 5.296 1.00 0.23 N ATOM 3137 CA SER B 92 6.007 -3.134 4.689 1.00 0.28 C ATOM 3138 C SER B 92 4.802 -3.647 5.479 1.00 0.26 C ATOM 3139 O SER B 92 4.809 -3.641 6.707 1.00 0.36 O ATOM 3140 CB SER B 92 7.080 -4.218 4.599 1.00 0.36 C ATOM 3141 OG SER B 92 8.244 -3.723 3.955 1.00 1.27 O ATOM 0 H SER B 92 7.167 -2.118 6.108 1.00 0.23 H new ATOM 0 HA SER B 92 5.658 -2.878 3.689 1.00 0.28 H new ATOM 0 HB2 SER B 92 7.334 -4.569 5.599 1.00 0.36 H new ATOM 0 HB3 SER B 92 6.692 -5.076 4.049 1.00 0.36 H new ATOM 0 HG SER B 92 8.414 -4.243 3.142 1.00 1.27 H new ATOM 3147 N PHE B 93 3.772 -4.083 4.760 1.00 0.25 N ATOM 3148 CA PHE B 93 2.556 -4.605 5.377 1.00 0.27 C ATOM 3149 C PHE B 93 2.235 -5.982 4.801 1.00 0.25 C ATOM 3150 O PHE B 93 2.189 -6.150 3.580 1.00 0.25 O ATOM 3151 CB PHE B 93 1.390 -3.640 5.125 1.00 0.33 C ATOM 3152 CG PHE B 93 0.178 -3.879 5.987 1.00 0.37 C ATOM 3153 CD1 PHE B 93 -0.667 -4.950 5.744 1.00 0.35 C ATOM 3154 CD2 PHE B 93 -0.120 -3.022 7.035 1.00 0.47 C ATOM 3155 CE1 PHE B 93 -1.784 -5.162 6.530 1.00 0.41 C ATOM 3156 CE2 PHE B 93 -1.235 -3.229 7.824 1.00 0.54 C ATOM 3157 CZ PHE B 93 -2.068 -4.301 7.570 1.00 0.50 C ATOM 0 H PHE B 93 3.756 -4.085 3.740 1.00 0.25 H new ATOM 0 HA PHE B 93 2.709 -4.699 6.452 1.00 0.27 H new ATOM 0 HB2 PHE B 93 1.739 -2.620 5.287 1.00 0.33 H new ATOM 0 HB3 PHE B 93 1.095 -3.714 4.078 1.00 0.33 H new ATOM 0 HD1 PHE B 93 -0.450 -5.627 4.931 1.00 0.35 H new ATOM 0 HD2 PHE B 93 0.528 -2.182 7.237 1.00 0.47 H new ATOM 0 HE1 PHE B 93 -2.434 -6.001 6.330 1.00 0.41 H new ATOM 0 HE2 PHE B 93 -1.455 -2.554 8.638 1.00 0.54 H new ATOM 0 HZ PHE B 93 -2.941 -4.465 8.185 1.00 0.50 H new ATOM 3167 N THR B 94 2.028 -6.961 5.675 1.00 0.30 N ATOM 3168 CA THR B 94 1.717 -8.319 5.247 1.00 0.31 C ATOM 3169 C THR B 94 0.225 -8.499 4.973 1.00 0.33 C ATOM 3170 O THR B 94 -0.594 -8.428 5.891 1.00 0.37 O ATOM 3171 CB THR B 94 2.154 -9.348 6.307 1.00 0.38 C ATOM 3172 OG1 THR B 94 2.285 -8.711 7.589 1.00 0.59 O ATOM 3173 CG2 THR B 94 3.470 -9.997 5.917 1.00 0.37 C ATOM 0 H THR B 94 2.070 -6.838 6.687 1.00 0.30 H new ATOM 0 HA THR B 94 2.270 -8.487 4.323 1.00 0.31 H new ATOM 0 HB THR B 94 1.390 -10.123 6.367 1.00 0.38 H new ATOM 0 HG1 THR B 94 3.018 -9.128 8.088 1.00 0.59 H new ATOM 0 HG21 THR B 94 3.759 -10.720 6.680 1.00 0.37 H new ATOM 0 HG22 THR B 94 3.355 -10.506 4.960 1.00 0.37 H new ATOM 0 HG23 THR B 94 4.242 -9.232 5.831 1.00 0.37 H new ATOM 3181 N PHE B 95 -0.123 -8.733 3.713 1.00 0.35 N ATOM 3182 CA PHE B 95 -1.515 -8.933 3.332 1.00 0.41 C ATOM 3183 C PHE B 95 -1.968 -10.338 3.701 1.00 0.45 C ATOM 3184 O PHE B 95 -1.573 -11.319 3.066 1.00 0.49 O ATOM 3185 CB PHE B 95 -1.706 -8.691 1.833 1.00 0.48 C ATOM 3186 CG PHE B 95 -1.919 -7.249 1.487 1.00 0.56 C ATOM 3187 CD1 PHE B 95 -0.978 -6.293 1.829 1.00 0.95 C ATOM 3188 CD2 PHE B 95 -3.065 -6.850 0.825 1.00 0.91 C ATOM 3189 CE1 PHE B 95 -1.178 -4.965 1.515 1.00 1.03 C ATOM 3190 CE2 PHE B 95 -3.272 -5.525 0.509 1.00 0.98 C ATOM 3191 CZ PHE B 95 -2.327 -4.582 0.855 1.00 0.78 C ATOM 0 H PHE B 95 0.539 -8.789 2.939 1.00 0.35 H new ATOM 0 HA PHE B 95 -2.126 -8.213 3.877 1.00 0.41 H new ATOM 0 HB2 PHE B 95 -0.831 -9.060 1.298 1.00 0.48 H new ATOM 0 HB3 PHE B 95 -2.561 -9.271 1.485 1.00 0.48 H new ATOM 0 HD1 PHE B 95 -0.078 -6.590 2.347 1.00 0.95 H new ATOM 0 HD2 PHE B 95 -3.807 -7.586 0.552 1.00 0.91 H new ATOM 0 HE1 PHE B 95 -0.437 -4.227 1.785 1.00 1.03 H new ATOM 0 HE2 PHE B 95 -4.172 -5.226 -0.008 1.00 0.98 H new ATOM 0 HZ PHE B 95 -2.487 -3.543 0.609 1.00 0.78 H new ATOM 3201 N GLN B 96 -2.782 -10.425 4.742 1.00 0.51 N ATOM 3202 CA GLN B 96 -3.293 -11.701 5.214 1.00 0.56 C ATOM 3203 C GLN B 96 -4.678 -11.975 4.644 1.00 0.63 C ATOM 3204 O GLN B 96 -5.571 -11.129 4.728 1.00 0.71 O ATOM 3205 CB GLN B 96 -3.354 -11.714 6.742 1.00 0.60 C ATOM 3206 CG GLN B 96 -2.215 -12.478 7.395 1.00 0.74 C ATOM 3207 CD GLN B 96 -2.276 -13.969 7.123 1.00 0.88 C ATOM 3208 OE1 GLN B 96 -3.345 -14.528 6.886 1.00 1.41 O ATOM 3209 NE2 GLN B 96 -1.129 -14.623 7.158 1.00 0.91 N ATOM 0 H GLN B 96 -3.104 -9.620 5.279 1.00 0.51 H new ATOM 0 HA GLN B 96 -2.615 -12.483 4.874 1.00 0.56 H new ATOM 0 HB2 GLN B 96 -3.345 -10.686 7.105 1.00 0.60 H new ATOM 0 HB3 GLN B 96 -4.301 -12.154 7.055 1.00 0.60 H new ATOM 0 HG2 GLN B 96 -1.265 -12.086 7.032 1.00 0.74 H new ATOM 0 HG3 GLN B 96 -2.240 -12.308 8.471 1.00 0.74 H new ATOM 0 HE21 GLN B 96 -0.263 -14.123 7.358 1.00 0.91 H new ATOM 0 HE22 GLN B 96 -1.109 -15.628 6.985 1.00 0.91 H new ATOM 3218 N ASN B 97 -4.841 -13.154 4.060 1.00 0.73 N ATOM 3219 CA ASN B 97 -6.112 -13.567 3.478 1.00 0.91 C ATOM 3220 C ASN B 97 -7.202 -13.590 4.551 1.00 0.97 C ATOM 3221 O ASN B 97 -7.065 -14.271 5.569 1.00 0.97 O ATOM 3222 CB ASN B 97 -5.971 -14.953 2.838 1.00 1.06 C ATOM 3223 CG ASN B 97 -6.946 -15.188 1.698 1.00 1.43 C ATOM 3224 OD1 ASN B 97 -8.023 -14.591 1.639 1.00 1.94 O ATOM 3225 ND2 ASN B 97 -6.577 -16.066 0.781 1.00 1.65 N ATOM 0 H ASN B 97 -4.099 -13.849 3.976 1.00 0.73 H new ATOM 0 HA ASN B 97 -6.395 -12.850 2.707 1.00 0.91 H new ATOM 0 HB2 ASN B 97 -4.953 -15.073 2.467 1.00 1.06 H new ATOM 0 HB3 ASN B 97 -6.124 -15.716 3.601 1.00 1.06 H new ATOM 0 HD21 ASN B 97 -7.191 -16.268 -0.008 1.00 1.65 H new ATOM 0 HD22 ASN B 97 -5.678 -16.541 0.862 1.00 1.65 H new ATOM 3232 N PRO B 98 -8.289 -12.829 4.343 1.00 1.12 N ATOM 3233 CA PRO B 98 -9.410 -12.747 5.295 1.00 1.28 C ATOM 3234 C PRO B 98 -10.120 -14.084 5.503 1.00 1.35 C ATOM 3235 O PRO B 98 -10.827 -14.275 6.497 1.00 1.41 O ATOM 3236 CB PRO B 98 -10.361 -11.736 4.645 1.00 1.50 C ATOM 3237 CG PRO B 98 -9.983 -11.719 3.205 1.00 1.51 C ATOM 3238 CD PRO B 98 -8.507 -11.970 3.169 1.00 1.26 C ATOM 0 HA PRO B 98 -9.065 -12.459 6.288 1.00 1.28 H new ATOM 0 HB2 PRO B 98 -11.402 -12.033 4.776 1.00 1.50 H new ATOM 0 HB3 PRO B 98 -10.252 -10.748 5.093 1.00 1.50 H new ATOM 0 HG2 PRO B 98 -10.524 -12.485 2.649 1.00 1.51 H new ATOM 0 HG3 PRO B 98 -10.228 -10.761 2.747 1.00 1.51 H new ATOM 0 HD2 PRO B 98 -8.204 -12.464 2.246 1.00 1.26 H new ATOM 0 HD3 PRO B 98 -7.938 -11.043 3.236 1.00 1.26 H new ATOM 3246 N TYR B 99 -9.940 -15.000 4.563 1.00 1.39 N ATOM 3247 CA TYR B 99 -10.560 -16.311 4.660 1.00 1.52 C ATOM 3248 C TYR B 99 -9.747 -17.212 5.577 1.00 1.54 C ATOM 3249 O TYR B 99 -10.142 -17.480 6.710 1.00 1.80 O ATOM 3250 CB TYR B 99 -10.691 -16.955 3.281 1.00 1.68 C ATOM 3251 CG TYR B 99 -11.772 -16.345 2.421 1.00 1.87 C ATOM 3252 CD1 TYR B 99 -13.092 -16.307 2.852 1.00 1.83 C ATOM 3253 CD2 TYR B 99 -11.473 -15.822 1.170 1.00 2.26 C ATOM 3254 CE1 TYR B 99 -14.086 -15.765 2.059 1.00 2.10 C ATOM 3255 CE2 TYR B 99 -12.460 -15.275 0.374 1.00 2.61 C ATOM 3256 CZ TYR B 99 -13.764 -15.250 0.821 1.00 2.50 C ATOM 3257 OH TYR B 99 -14.752 -14.722 0.018 1.00 2.90 O ATOM 0 H TYR B 99 -9.372 -14.860 3.728 1.00 1.39 H new ATOM 0 HA TYR B 99 -11.558 -16.183 5.078 1.00 1.52 H new ATOM 0 HB2 TYR B 99 -9.737 -16.873 2.760 1.00 1.68 H new ATOM 0 HB3 TYR B 99 -10.896 -18.018 3.405 1.00 1.68 H new ATOM 0 HD1 TYR B 99 -13.346 -16.707 3.822 1.00 1.83 H new ATOM 0 HD2 TYR B 99 -10.453 -15.843 0.814 1.00 2.26 H new ATOM 0 HE1 TYR B 99 -15.108 -15.745 2.407 1.00 2.10 H new ATOM 0 HE2 TYR B 99 -12.211 -14.868 -0.595 1.00 2.61 H new ATOM 0 HH TYR B 99 -15.434 -14.294 0.577 1.00 2.90 H new ATOM 3267 N SER B 100 -8.607 -17.666 5.088 1.00 1.37 N ATOM 3268 CA SER B 100 -7.735 -18.533 5.862 1.00 1.42 C ATOM 3269 C SER B 100 -6.369 -17.886 6.037 1.00 1.24 C ATOM 3270 O SER B 100 -6.000 -17.008 5.259 1.00 1.29 O ATOM 3271 CB SER B 100 -7.588 -19.880 5.155 1.00 1.52 C ATOM 3272 OG SER B 100 -8.844 -20.342 4.676 1.00 2.27 O ATOM 0 H SER B 100 -8.262 -17.448 4.153 1.00 1.37 H new ATOM 0 HA SER B 100 -8.175 -18.690 6.847 1.00 1.42 H new ATOM 0 HB2 SER B 100 -6.890 -19.784 4.323 1.00 1.52 H new ATOM 0 HB3 SER B 100 -7.165 -20.612 5.843 1.00 1.52 H new ATOM 0 HG SER B 100 -8.725 -21.204 4.226 1.00 2.27 H new ATOM 3278 N ASP B 101 -5.629 -18.315 7.056 1.00 1.08 N ATOM 3279 CA ASP B 101 -4.297 -17.779 7.322 1.00 0.96 C ATOM 3280 C ASP B 101 -3.391 -18.003 6.117 1.00 0.87 C ATOM 3281 O ASP B 101 -3.047 -19.144 5.794 1.00 0.91 O ATOM 3282 CB ASP B 101 -3.693 -18.438 8.563 1.00 1.15 C ATOM 3283 CG ASP B 101 -2.229 -18.096 8.752 1.00 1.33 C ATOM 3284 OD1 ASP B 101 -1.921 -16.938 9.094 1.00 1.27 O ATOM 3285 OD2 ASP B 101 -1.377 -18.987 8.568 1.00 2.06 O ATOM 0 H ASP B 101 -5.930 -19.035 7.713 1.00 1.08 H new ATOM 0 HA ASP B 101 -4.384 -16.708 7.505 1.00 0.96 H new ATOM 0 HB2 ASP B 101 -4.252 -18.124 9.445 1.00 1.15 H new ATOM 0 HB3 ASP B 101 -3.802 -19.520 8.485 1.00 1.15 H new ATOM 3290 N GLU B 102 -3.020 -16.914 5.454 1.00 0.88 N ATOM 3291 CA GLU B 102 -2.182 -16.982 4.269 1.00 0.85 C ATOM 3292 C GLU B 102 -1.743 -15.586 3.842 1.00 0.72 C ATOM 3293 O GLU B 102 -2.565 -14.677 3.724 1.00 0.72 O ATOM 3294 CB GLU B 102 -2.960 -17.658 3.134 1.00 1.03 C ATOM 3295 CG GLU B 102 -2.300 -17.558 1.770 1.00 1.30 C ATOM 3296 CD GLU B 102 -3.184 -18.101 0.670 1.00 1.72 C ATOM 3297 OE1 GLU B 102 -4.354 -17.676 0.575 1.00 2.51 O ATOM 3298 OE2 GLU B 102 -2.715 -18.962 -0.104 1.00 1.82 O ATOM 0 H GLU B 102 -3.290 -15.968 5.722 1.00 0.88 H new ATOM 0 HA GLU B 102 -1.291 -17.566 4.498 1.00 0.85 H new ATOM 0 HB2 GLU B 102 -3.096 -18.711 3.381 1.00 1.03 H new ATOM 0 HB3 GLU B 102 -3.953 -17.213 3.076 1.00 1.03 H new ATOM 0 HG2 GLU B 102 -2.059 -16.516 1.560 1.00 1.30 H new ATOM 0 HG3 GLU B 102 -1.358 -18.107 1.782 1.00 1.30 H new ATOM 3305 N ILE B 103 -0.445 -15.414 3.637 1.00 0.68 N ATOM 3306 CA ILE B 103 0.092 -14.137 3.198 1.00 0.59 C ATOM 3307 C ILE B 103 0.202 -14.133 1.682 1.00 0.61 C ATOM 3308 O ILE B 103 1.007 -14.869 1.108 1.00 0.74 O ATOM 3309 CB ILE B 103 1.483 -13.842 3.809 1.00 0.62 C ATOM 3310 CG1 ILE B 103 1.411 -13.824 5.337 1.00 0.67 C ATOM 3311 CG2 ILE B 103 2.019 -12.513 3.291 1.00 0.56 C ATOM 3312 CD1 ILE B 103 2.768 -13.797 6.010 1.00 0.99 C ATOM 0 H ILE B 103 0.255 -16.144 3.768 1.00 0.68 H new ATOM 0 HA ILE B 103 -0.591 -13.359 3.539 1.00 0.59 H new ATOM 0 HB ILE B 103 2.164 -14.637 3.506 1.00 0.62 H new ATOM 0 HG12 ILE B 103 0.840 -12.951 5.655 1.00 0.67 H new ATOM 0 HG13 ILE B 103 0.864 -14.704 5.677 1.00 0.67 H new ATOM 0 HG21 ILE B 103 2.998 -12.320 3.730 1.00 0.56 H new ATOM 0 HG22 ILE B 103 2.110 -12.556 2.206 1.00 0.56 H new ATOM 0 HG23 ILE B 103 1.333 -11.712 3.567 1.00 0.56 H new ATOM 0 HD11 ILE B 103 2.637 -13.785 7.092 1.00 0.99 H new ATOM 0 HD12 ILE B 103 3.334 -14.683 5.722 1.00 0.99 H new ATOM 0 HD13 ILE B 103 3.310 -12.903 5.700 1.00 0.99 H new ATOM 3324 N GLU B 104 -0.617 -13.324 1.037 1.00 0.54 N ATOM 3325 CA GLU B 104 -0.605 -13.242 -0.414 1.00 0.59 C ATOM 3326 C GLU B 104 0.635 -12.500 -0.892 1.00 0.51 C ATOM 3327 O GLU B 104 1.465 -13.053 -1.615 1.00 0.56 O ATOM 3328 CB GLU B 104 -1.868 -12.554 -0.920 1.00 0.69 C ATOM 3329 CG GLU B 104 -3.143 -13.249 -0.482 1.00 0.85 C ATOM 3330 CD GLU B 104 -4.320 -12.874 -1.344 1.00 1.06 C ATOM 3331 OE1 GLU B 104 -4.974 -11.855 -1.053 1.00 1.33 O ATOM 3332 OE2 GLU B 104 -4.588 -13.582 -2.335 1.00 1.44 O ATOM 0 H GLU B 104 -1.298 -12.715 1.492 1.00 0.54 H new ATOM 0 HA GLU B 104 -0.580 -14.254 -0.818 1.00 0.59 H new ATOM 0 HB2 GLU B 104 -1.882 -11.525 -0.562 1.00 0.69 H new ATOM 0 HB3 GLU B 104 -1.840 -12.512 -2.009 1.00 0.69 H new ATOM 0 HG2 GLU B 104 -2.997 -14.329 -0.519 1.00 0.85 H new ATOM 0 HG3 GLU B 104 -3.358 -12.991 0.555 1.00 0.85 H new ATOM 3339 N TYR B 105 0.764 -11.253 -0.472 1.00 0.42 N ATOM 3340 CA TYR B 105 1.908 -10.442 -0.845 1.00 0.40 C ATOM 3341 C TYR B 105 2.150 -9.366 0.197 1.00 0.33 C ATOM 3342 O TYR B 105 1.314 -9.133 1.070 1.00 0.37 O ATOM 3343 CB TYR B 105 1.729 -9.821 -2.239 1.00 0.46 C ATOM 3344 CG TYR B 105 0.550 -8.882 -2.386 1.00 0.47 C ATOM 3345 CD1 TYR B 105 -0.728 -9.369 -2.632 1.00 0.59 C ATOM 3346 CD2 TYR B 105 0.722 -7.506 -2.305 1.00 0.45 C ATOM 3347 CE1 TYR B 105 -1.801 -8.513 -2.787 1.00 0.67 C ATOM 3348 CE2 TYR B 105 -0.345 -6.642 -2.463 1.00 0.55 C ATOM 3349 CZ TYR B 105 -1.605 -7.151 -2.704 1.00 0.65 C ATOM 3350 OH TYR B 105 -2.671 -6.296 -2.867 1.00 0.77 O ATOM 0 H TYR B 105 0.089 -10.780 0.129 1.00 0.42 H new ATOM 0 HA TYR B 105 2.782 -11.092 -0.888 1.00 0.40 H new ATOM 0 HB2 TYR B 105 2.638 -9.278 -2.495 1.00 0.46 H new ATOM 0 HB3 TYR B 105 1.623 -10.626 -2.966 1.00 0.46 H new ATOM 0 HD1 TYR B 105 -0.885 -10.435 -2.703 1.00 0.59 H new ATOM 0 HD2 TYR B 105 1.706 -7.104 -2.115 1.00 0.45 H new ATOM 0 HE1 TYR B 105 -2.789 -8.909 -2.972 1.00 0.67 H new ATOM 0 HE2 TYR B 105 -0.194 -5.575 -2.398 1.00 0.55 H new ATOM 0 HH TYR B 105 -2.520 -5.731 -3.653 1.00 0.77 H new ATOM 3360 N ILE B 106 3.303 -8.730 0.113 1.00 0.26 N ATOM 3361 CA ILE B 106 3.672 -7.682 1.045 1.00 0.25 C ATOM 3362 C ILE B 106 3.984 -6.405 0.282 1.00 0.26 C ATOM 3363 O ILE B 106 4.688 -6.439 -0.726 1.00 0.28 O ATOM 3364 CB ILE B 106 4.910 -8.084 1.880 1.00 0.26 C ATOM 3365 CG1 ILE B 106 4.732 -9.488 2.461 1.00 0.31 C ATOM 3366 CG2 ILE B 106 5.167 -7.075 2.992 1.00 0.30 C ATOM 3367 CD1 ILE B 106 5.997 -10.061 3.063 1.00 0.36 C ATOM 0 H ILE B 106 4.007 -8.924 -0.599 1.00 0.26 H new ATOM 0 HA ILE B 106 2.832 -7.523 1.721 1.00 0.25 H new ATOM 0 HB ILE B 106 5.777 -8.089 1.220 1.00 0.26 H new ATOM 0 HG12 ILE B 106 3.956 -9.460 3.226 1.00 0.31 H new ATOM 0 HG13 ILE B 106 4.380 -10.155 1.675 1.00 0.31 H new ATOM 0 HG21 ILE B 106 6.043 -7.380 3.565 1.00 0.30 H new ATOM 0 HG22 ILE B 106 5.343 -6.091 2.557 1.00 0.30 H new ATOM 0 HG23 ILE B 106 4.300 -7.031 3.651 1.00 0.30 H new ATOM 0 HD11 ILE B 106 5.794 -11.058 3.455 1.00 0.36 H new ATOM 0 HD12 ILE B 106 6.769 -10.122 2.296 1.00 0.36 H new ATOM 0 HD13 ILE B 106 6.339 -9.416 3.872 1.00 0.36 H new ATOM 3379 N ILE B 107 3.441 -5.288 0.735 1.00 0.29 N ATOM 3380 CA ILE B 107 3.703 -4.013 0.087 1.00 0.34 C ATOM 3381 C ILE B 107 4.950 -3.378 0.687 1.00 0.40 C ATOM 3382 O ILE B 107 5.596 -3.969 1.557 1.00 0.52 O ATOM 3383 CB ILE B 107 2.518 -3.032 0.211 1.00 0.44 C ATOM 3384 CG1 ILE B 107 2.149 -2.816 1.683 1.00 0.46 C ATOM 3385 CG2 ILE B 107 1.324 -3.546 -0.581 1.00 0.53 C ATOM 3386 CD1 ILE B 107 1.214 -1.647 1.907 1.00 0.79 C ATOM 0 H ILE B 107 2.820 -5.237 1.543 1.00 0.29 H new ATOM 0 HA ILE B 107 3.852 -4.216 -0.974 1.00 0.34 H new ATOM 0 HB ILE B 107 2.816 -2.069 -0.205 1.00 0.44 H new ATOM 0 HG12 ILE B 107 1.683 -3.723 2.069 1.00 0.46 H new ATOM 0 HG13 ILE B 107 3.061 -2.657 2.258 1.00 0.46 H new ATOM 0 HG21 ILE B 107 0.495 -2.845 -0.485 1.00 0.53 H new ATOM 0 HG22 ILE B 107 1.598 -3.642 -1.631 1.00 0.53 H new ATOM 0 HG23 ILE B 107 1.023 -4.519 -0.194 1.00 0.53 H new ATOM 0 HD11 ILE B 107 0.996 -1.554 2.971 1.00 0.79 H new ATOM 0 HD12 ILE B 107 1.685 -0.731 1.552 1.00 0.79 H new ATOM 0 HD13 ILE B 107 0.286 -1.813 1.360 1.00 0.79 H new ATOM 3398 N CYS B 108 5.299 -2.192 0.224 1.00 0.39 N ATOM 3399 CA CYS B 108 6.471 -1.504 0.737 1.00 0.47 C ATOM 3400 C CYS B 108 6.380 -0.008 0.488 1.00 0.37 C ATOM 3401 O CYS B 108 6.711 0.474 -0.594 1.00 0.43 O ATOM 3402 CB CYS B 108 7.749 -2.070 0.109 1.00 0.61 C ATOM 3403 SG CYS B 108 7.646 -2.332 -1.675 1.00 1.55 S ATOM 0 H CYS B 108 4.792 -1.687 -0.502 1.00 0.39 H new ATOM 0 HA CYS B 108 6.509 -1.669 1.814 1.00 0.47 H new ATOM 0 HB2 CYS B 108 8.575 -1.390 0.318 1.00 0.61 H new ATOM 0 HB3 CYS B 108 7.988 -3.018 0.591 1.00 0.61 H new ATOM 0 HG CYS B 108 6.508 -2.889 -1.967 1.00 1.55 H new ATOM 3409 N THR B 109 5.899 0.707 1.490 1.00 0.32 N ATOM 3410 CA THR B 109 5.772 2.149 1.418 1.00 0.29 C ATOM 3411 C THR B 109 7.145 2.786 1.594 1.00 0.26 C ATOM 3412 O THR B 109 7.657 2.882 2.709 1.00 0.27 O ATOM 3413 CB THR B 109 4.805 2.668 2.505 1.00 0.39 C ATOM 3414 OG1 THR B 109 3.480 2.173 2.255 1.00 0.48 O ATOM 3415 CG2 THR B 109 4.787 4.191 2.554 1.00 0.49 C ATOM 0 H THR B 109 5.587 0.304 2.373 1.00 0.32 H new ATOM 0 HA THR B 109 5.365 2.419 0.443 1.00 0.29 H new ATOM 0 HB THR B 109 5.157 2.304 3.470 1.00 0.39 H new ATOM 0 HG1 THR B 109 3.022 2.018 3.108 1.00 0.48 H new ATOM 0 HG21 THR B 109 4.096 4.522 3.330 1.00 0.49 H new ATOM 0 HG22 THR B 109 5.788 4.560 2.778 1.00 0.49 H new ATOM 0 HG23 THR B 109 4.464 4.582 1.589 1.00 0.49 H new ATOM 3423 N ASN B 110 7.750 3.191 0.493 1.00 0.35 N ATOM 3424 CA ASN B 110 9.070 3.799 0.536 1.00 0.40 C ATOM 3425 C ASN B 110 8.965 5.298 0.752 1.00 0.45 C ATOM 3426 O ASN B 110 8.728 6.054 -0.186 1.00 0.57 O ATOM 3427 CB ASN B 110 9.846 3.505 -0.749 1.00 0.53 C ATOM 3428 CG ASN B 110 10.416 2.100 -0.774 1.00 1.18 C ATOM 3429 OD1 ASN B 110 11.482 1.839 -0.218 1.00 1.84 O ATOM 3430 ND2 ASN B 110 9.711 1.183 -1.420 1.00 1.84 N ATOM 0 H ASN B 110 7.350 3.111 -0.442 1.00 0.35 H new ATOM 0 HA ASN B 110 9.612 3.364 1.376 1.00 0.40 H new ATOM 0 HB2 ASN B 110 9.187 3.642 -1.607 1.00 0.53 H new ATOM 0 HB3 ASN B 110 10.658 4.225 -0.852 1.00 0.53 H new ATOM 0 HD21 ASN B 110 10.048 0.221 -1.469 1.00 1.84 H new ATOM 0 HD22 ASN B 110 8.831 1.439 -1.869 1.00 1.84 H new ATOM 3437 N THR B 111 9.126 5.718 1.996 1.00 0.39 N ATOM 3438 CA THR B 111 9.053 7.128 2.337 1.00 0.41 C ATOM 3439 C THR B 111 10.450 7.695 2.562 1.00 0.38 C ATOM 3440 O THR B 111 11.170 7.250 3.458 1.00 0.43 O ATOM 3441 CB THR B 111 8.209 7.351 3.605 1.00 0.45 C ATOM 3442 OG1 THR B 111 7.408 6.189 3.872 1.00 0.50 O ATOM 3443 CG2 THR B 111 7.308 8.570 3.450 1.00 0.52 C ATOM 0 H THR B 111 9.308 5.101 2.787 1.00 0.39 H new ATOM 0 HA THR B 111 8.578 7.643 1.502 1.00 0.41 H new ATOM 0 HB THR B 111 8.887 7.525 4.440 1.00 0.45 H new ATOM 0 HG1 THR B 111 6.460 6.436 3.862 1.00 0.50 H new ATOM 0 HG21 THR B 111 6.722 8.707 4.359 1.00 0.52 H new ATOM 0 HG22 THR B 111 7.920 9.455 3.276 1.00 0.52 H new ATOM 0 HG23 THR B 111 6.637 8.421 2.604 1.00 0.52 H new ATOM 3451 N ASN B 112 10.837 8.659 1.736 1.00 0.36 N ATOM 3452 CA ASN B 112 12.147 9.289 1.859 1.00 0.36 C ATOM 3453 C ASN B 112 12.240 10.054 3.173 1.00 0.34 C ATOM 3454 O ASN B 112 11.332 10.811 3.526 1.00 0.37 O ATOM 3455 CB ASN B 112 12.411 10.228 0.678 1.00 0.45 C ATOM 3456 CG ASN B 112 13.705 11.006 0.836 1.00 0.39 C ATOM 3457 OD1 ASN B 112 13.706 12.151 1.288 1.00 0.71 O ATOM 3458 ND2 ASN B 112 14.815 10.393 0.462 1.00 0.42 N ATOM 0 H ASN B 112 10.264 9.022 0.974 1.00 0.36 H new ATOM 0 HA ASN B 112 12.907 8.508 1.851 1.00 0.36 H new ATOM 0 HB2 ASN B 112 12.450 9.647 -0.243 1.00 0.45 H new ATOM 0 HB3 ASN B 112 11.580 10.926 0.580 1.00 0.45 H new ATOM 0 HD21 ASN B 112 15.713 10.870 0.543 1.00 0.42 H new ATOM 0 HD22 ASN B 112 14.773 9.443 0.092 1.00 0.42 H new ATOM 3465 N VAL B 113 13.332 9.853 3.898 1.00 0.36 N ATOM 3466 CA VAL B 113 13.519 10.514 5.179 1.00 0.44 C ATOM 3467 C VAL B 113 14.131 11.901 5.000 1.00 0.50 C ATOM 3468 O VAL B 113 13.412 12.882 4.828 1.00 0.78 O ATOM 3469 CB VAL B 113 14.400 9.675 6.133 1.00 0.52 C ATOM 3470 CG1 VAL B 113 14.383 10.262 7.538 1.00 0.98 C ATOM 3471 CG2 VAL B 113 13.938 8.224 6.155 1.00 0.83 C ATOM 0 H VAL B 113 14.098 9.240 3.621 1.00 0.36 H new ATOM 0 HA VAL B 113 12.531 10.618 5.627 1.00 0.44 H new ATOM 0 HB VAL B 113 15.425 9.704 5.762 1.00 0.52 H new ATOM 0 HG11 VAL B 113 15.009 9.656 8.193 1.00 0.98 H new ATOM 0 HG12 VAL B 113 14.766 11.282 7.511 1.00 0.98 H new ATOM 0 HG13 VAL B 113 13.361 10.268 7.917 1.00 0.98 H new ATOM 0 HG21 VAL B 113 14.571 7.651 6.832 1.00 0.83 H new ATOM 0 HG22 VAL B 113 12.904 8.176 6.497 1.00 0.83 H new ATOM 0 HG23 VAL B 113 14.008 7.805 5.151 1.00 0.83 H new ATOM 3481 N LYS B 114 15.456 11.975 5.018 1.00 0.66 N ATOM 3482 CA LYS B 114 16.154 13.245 4.876 1.00 0.80 C ATOM 3483 C LYS B 114 17.417 13.072 4.049 1.00 0.96 C ATOM 3484 O LYS B 114 18.341 12.375 4.514 1.00 1.54 O ATOM 3485 CB LYS B 114 16.505 13.817 6.251 1.00 1.37 C ATOM 3486 CG LYS B 114 15.299 14.330 7.020 1.00 1.56 C ATOM 3487 CD LYS B 114 15.418 14.036 8.505 1.00 2.38 C ATOM 3488 CE LYS B 114 14.193 14.515 9.269 1.00 2.81 C ATOM 3489 NZ LYS B 114 14.236 15.979 9.532 1.00 3.21 N ATOM 3490 OXT LYS B 114 17.477 13.624 2.931 1.00 0.67 O ATOM 0 H LYS B 114 16.069 11.168 5.130 1.00 0.66 H new ATOM 0 HA LYS B 114 15.492 13.942 4.362 1.00 0.80 H new ATOM 0 HB2 LYS B 114 17.001 13.046 6.841 1.00 1.37 H new ATOM 0 HB3 LYS B 114 17.219 14.631 6.126 1.00 1.37 H new ATOM 0 HG2 LYS B 114 15.200 15.405 6.868 1.00 1.56 H new ATOM 0 HG3 LYS B 114 14.393 13.868 6.628 1.00 1.56 H new ATOM 0 HD2 LYS B 114 15.546 12.964 8.655 1.00 2.38 H new ATOM 0 HD3 LYS B 114 16.309 14.522 8.903 1.00 2.38 H new ATOM 0 HE2 LYS B 114 13.295 14.275 8.700 1.00 2.81 H new ATOM 0 HE3 LYS B 114 14.124 13.979 10.215 1.00 2.81 H new ATOM 0 HZ1 LYS B 114 13.383 16.263 10.054 1.00 3.21 H new ATOM 0 HZ2 LYS B 114 15.079 16.206 10.097 1.00 3.21 H new ATOM 0 HZ3 LYS B 114 14.276 16.493 8.629 1.00 3.21 H new