USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 959 hydrogens (13 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 NoAdj-H: B 2 PTR HN2 : B 2 PTR N : B 1 THR C :(H bumps) USER MOD Set 1.1: A 53 CYS SG : rot 51:sc= -1.12! USER MOD Set 1.2: A 62 HIS : no HE2:sc= -5.45! C(o=-6.6!,f=-21!) USER MOD Set 2.1: A 36 ASN : amide:sc= -9.37! C(o=-19!,f=-25!) USER MOD Set 2.2: A 56 HIS : no HD1:sc= -9.2! C(o=-19!,f=-23!) USER MOD Set 3.1: A 10 HIS : no HD1:sc= -0.859 X(o=-0.86,f=-1.2) USER MOD Set 3.2: A 13 MET CE :methyl -179:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.0547 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -37:sc= 0.49 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HD1:sc= -7.1! C(o=-7.1!,f=-4.9!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 92:sc= 0.508 USER MOD Single : A 25 SER OG : rot 88:sc= -2! USER MOD Single : A 27 GLN : amide:sc= -2.4! K(o=-2.4!,f=-0.74) USER MOD Single : A 33 SER OG : rot -106:sc= -0.922! USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.134 USER MOD Single : A 38 LYS NZ :NH3+ -129:sc= -0.209 (180deg=-0.845) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 47 ASN : amide:sc= 0.141 K(o=0.14,f=-1.4) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0405) USER MOD Single : A 63 TYR OH : rot 76:sc= 0.661 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -165:sc= -0.021 (180deg=-0.241) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0878) USER MOD Single : A 74 SER OG : rot 3:sc= 1.04 USER MOD Single : A 79 LYS NZ :NH3+ -162:sc= -0.0503 (180deg=-0.377) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0161 USER MOD Single : A 86 GLN : amide:sc= -1.75! C(o=-1.8!,f=-5.7!) USER MOD Single : A 90 HIS : no HD1:sc= -3.1 X(o=-3.1,f=-2.7) USER MOD Single : A 91 TYR OH : rot -116:sc= -0.704 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 161:sc= -0.459 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot -35:sc= -15.6! USER MOD Single : A 107 GLN : amide:sc= -16.5! C(o=-16!,f=-25!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 THR OG1 : rot 180:sc= 0 USER MOD Single : B 4 THR OG1 : rot -98:sc= 0.13 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.425 -11.938 5.044 1.00 0.00 N ATOM 2 CA GLY A 1 -24.049 -11.455 5.018 1.00 0.00 C ATOM 3 C GLY A 1 -23.430 -11.393 6.416 1.00 0.00 C ATOM 4 O GLY A 1 -24.113 -11.470 7.431 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.482 -12.849 4.546 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.731 -12.062 6.030 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.044 -11.247 4.574 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.448 -12.109 4.386 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.023 -10.463 4.567 1.00 0.00 H new ATOM 10 N SER A 2 -22.093 -11.250 6.393 1.00 0.00 N ATOM 11 CA SER A 2 -21.378 -11.178 7.656 1.00 0.00 C ATOM 12 C SER A 2 -20.855 -9.758 7.869 1.00 0.00 C ATOM 13 O SER A 2 -20.962 -9.185 8.946 1.00 0.00 O ATOM 14 CB SER A 2 -20.224 -12.178 7.644 1.00 0.00 C ATOM 15 OG SER A 2 -19.495 -12.108 8.843 1.00 0.00 O ATOM 0 H SER A 2 -21.519 -11.186 5.553 1.00 0.00 H new ATOM 0 HA SER A 2 -22.051 -11.428 8.476 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.612 -13.187 7.507 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.566 -11.972 6.800 1.00 0.00 H new ATOM 0 HG SER A 2 -18.761 -12.757 8.818 1.00 0.00 H new ATOM 21 N ARG A 3 -20.286 -9.235 6.768 1.00 0.00 N ATOM 22 CA ARG A 3 -19.745 -7.888 6.836 1.00 0.00 C ATOM 23 C ARG A 3 -18.912 -7.615 5.585 1.00 0.00 C ATOM 24 O ARG A 3 -19.327 -6.914 4.671 1.00 0.00 O ATOM 25 CB ARG A 3 -18.887 -7.748 8.091 1.00 0.00 C ATOM 26 CG ARG A 3 -19.537 -6.819 9.117 1.00 0.00 C ATOM 27 CD ARG A 3 -19.430 -5.353 8.697 1.00 0.00 C ATOM 28 NE ARG A 3 -20.099 -4.503 9.665 1.00 0.00 N ATOM 29 CZ ARG A 3 -19.761 -3.201 9.725 1.00 0.00 C ATOM 30 NH1 ARG A 3 -18.830 -2.714 8.910 1.00 0.00 N ATOM 31 NH2 ARG A 3 -20.359 -2.400 10.603 1.00 0.00 N ATOM 0 H ARG A 3 -20.196 -9.705 5.867 1.00 0.00 H new ATOM 0 HA ARG A 3 -20.557 -7.163 6.884 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -18.730 -8.730 8.537 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -17.905 -7.361 7.820 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -20.586 -7.088 9.238 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -19.059 -6.956 10.087 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -18.382 -5.067 8.614 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -19.877 -5.216 7.712 1.00 0.00 H new ATOM 0 HE ARG A 3 -20.811 -4.885 10.288 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -18.370 -3.327 8.237 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -18.576 -1.727 8.958 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -21.073 -2.772 11.230 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -20.104 -1.414 10.650 1.00 0.00 H new ATOM 45 N ARG A 4 -17.710 -8.218 5.614 1.00 0.00 N ATOM 46 CA ARG A 4 -16.816 -8.041 4.483 1.00 0.00 C ATOM 47 C ARG A 4 -17.523 -8.482 3.202 1.00 0.00 C ATOM 48 O ARG A 4 -18.232 -9.480 3.164 1.00 0.00 O ATOM 49 CB ARG A 4 -15.546 -8.857 4.707 1.00 0.00 C ATOM 50 CG ARG A 4 -15.865 -10.292 5.129 1.00 0.00 C ATOM 51 CD ARG A 4 -14.593 -11.080 5.440 1.00 0.00 C ATOM 52 NE ARG A 4 -14.926 -12.380 5.993 1.00 0.00 N ATOM 53 CZ ARG A 4 -13.997 -13.353 5.963 1.00 0.00 C ATOM 54 NH1 ARG A 4 -12.800 -13.117 5.431 1.00 0.00 N ATOM 55 NH2 ARG A 4 -14.275 -14.552 6.467 1.00 0.00 N ATOM 0 H ARG A 4 -17.358 -8.802 6.373 1.00 0.00 H new ATOM 0 HA ARG A 4 -16.543 -6.990 4.386 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -14.955 -8.869 3.791 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -14.936 -8.379 5.474 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -16.510 -10.279 6.007 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -16.419 -10.792 4.334 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -14.003 -11.204 4.532 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -13.977 -10.524 6.147 1.00 0.00 H new ATOM 0 HE ARG A 4 -15.847 -12.553 6.397 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -12.586 -12.197 5.045 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -12.097 -13.856 5.409 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -15.192 -14.733 6.876 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -13.571 -15.290 6.445 1.00 0.00 H new ATOM 69 N ALA A 5 -17.279 -7.666 2.160 1.00 0.00 N ATOM 70 CA ALA A 5 -17.894 -7.970 0.880 1.00 0.00 C ATOM 71 C ALA A 5 -17.034 -8.984 0.122 1.00 0.00 C ATOM 72 O ALA A 5 -17.182 -10.191 0.268 1.00 0.00 O ATOM 73 CB ALA A 5 -18.053 -6.682 0.074 1.00 0.00 C ATOM 0 H ALA A 5 -16.689 -6.834 2.184 1.00 0.00 H new ATOM 0 HA ALA A 5 -18.880 -8.406 1.038 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -18.515 -6.909 -0.887 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -18.684 -5.984 0.624 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -17.074 -6.233 -0.091 1.00 0.00 H new ATOM 79 N SER A 6 -16.130 -8.412 -0.696 1.00 0.00 N ATOM 80 CA SER A 6 -15.255 -9.280 -1.478 1.00 0.00 C ATOM 81 C SER A 6 -13.798 -9.173 -1.010 1.00 0.00 C ATOM 82 O SER A 6 -12.870 -9.596 -1.688 1.00 0.00 O ATOM 83 CB SER A 6 -15.364 -8.892 -2.944 1.00 0.00 C ATOM 84 OG SER A 6 -14.715 -9.834 -3.759 1.00 0.00 O ATOM 0 H SER A 6 -15.995 -7.409 -0.824 1.00 0.00 H new ATOM 0 HA SER A 6 -15.568 -10.315 -1.339 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.414 -8.820 -3.229 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.924 -7.907 -3.098 1.00 0.00 H new ATOM 0 HG SER A 6 -13.900 -10.147 -3.313 1.00 0.00 H new ATOM 90 N VAL A 7 -13.669 -8.584 0.183 1.00 0.00 N ATOM 91 CA VAL A 7 -12.345 -8.424 0.749 1.00 0.00 C ATOM 92 C VAL A 7 -12.249 -9.215 2.053 1.00 0.00 C ATOM 93 O VAL A 7 -13.247 -9.550 2.679 1.00 0.00 O ATOM 94 CB VAL A 7 -12.080 -6.943 0.992 1.00 0.00 C ATOM 95 CG1 VAL A 7 -13.021 -6.399 2.066 1.00 0.00 C ATOM 96 CG2 VAL A 7 -10.623 -6.720 1.399 1.00 0.00 C ATOM 0 H VAL A 7 -14.438 -8.226 0.750 1.00 0.00 H new ATOM 0 HA VAL A 7 -11.593 -8.806 0.058 1.00 0.00 H new ATOM 0 HB VAL A 7 -12.267 -6.404 0.063 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -12.817 -5.340 2.226 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -14.054 -6.525 1.742 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -12.864 -6.944 2.997 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -10.451 -5.657 1.569 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -10.412 -7.272 2.315 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -9.965 -7.072 0.604 1.00 0.00 H new ATOM 106 N GLY A 8 -10.983 -9.490 2.414 1.00 0.00 N ATOM 107 CA GLY A 8 -10.760 -10.239 3.637 1.00 0.00 C ATOM 108 C GLY A 8 -9.278 -10.237 4.026 1.00 0.00 C ATOM 109 O GLY A 8 -8.726 -11.235 4.471 1.00 0.00 O ATOM 0 H GLY A 8 -10.146 -9.217 1.899 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -11.351 -9.806 4.444 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.103 -11.265 3.506 1.00 0.00 H new ATOM 113 N SER A 9 -8.682 -9.049 3.823 1.00 0.00 N ATOM 114 CA SER A 9 -7.274 -8.910 4.155 1.00 0.00 C ATOM 115 C SER A 9 -6.499 -10.116 3.626 1.00 0.00 C ATOM 116 O SER A 9 -6.263 -11.092 4.329 1.00 0.00 O ATOM 117 CB SER A 9 -7.117 -8.801 5.670 1.00 0.00 C ATOM 118 OG SER A 9 -7.825 -7.694 6.164 1.00 0.00 O ATOM 0 H SER A 9 -9.135 -8.215 3.449 1.00 0.00 H new ATOM 0 HA SER A 9 -6.876 -8.007 3.692 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.480 -9.713 6.145 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.061 -8.707 5.925 1.00 0.00 H new ATOM 0 HG SER A 9 -7.714 -7.642 7.136 1.00 0.00 H new ATOM 124 N HIS A 10 -6.116 -9.977 2.344 1.00 0.00 N ATOM 125 CA HIS A 10 -5.362 -11.054 1.726 1.00 0.00 C ATOM 126 C HIS A 10 -3.904 -10.954 2.163 1.00 0.00 C ATOM 127 O HIS A 10 -3.180 -10.036 1.798 1.00 0.00 O ATOM 128 CB HIS A 10 -5.470 -10.951 0.204 1.00 0.00 C ATOM 129 CG HIS A 10 -6.481 -11.954 -0.302 1.00 0.00 C ATOM 130 ND1 HIS A 10 -7.766 -12.004 0.111 1.00 0.00 N ATOM 131 CD2 HIS A 10 -6.284 -12.977 -1.247 1.00 0.00 C ATOM 132 CE1 HIS A 10 -8.340 -13.020 -0.556 1.00 0.00 C ATOM 133 NE2 HIS A 10 -7.466 -13.623 -1.382 1.00 0.00 N ATOM 0 H HIS A 10 -6.309 -9.170 1.751 1.00 0.00 H new ATOM 0 HA HIS A 10 -5.765 -12.017 2.038 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.769 -9.943 -0.082 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -4.498 -11.137 -0.253 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -5.365 -13.204 -1.766 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -9.373 -13.315 -0.443 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -7.658 -14.416 -1.994 1.00 0.00 H new ATOM 141 N GLU A 11 -3.528 -11.960 2.969 1.00 0.00 N ATOM 142 CA GLU A 11 -2.177 -11.987 3.463 1.00 0.00 C ATOM 143 C GLU A 11 -1.204 -12.279 2.321 1.00 0.00 C ATOM 144 O GLU A 11 -0.386 -11.453 1.935 1.00 0.00 O ATOM 145 CB GLU A 11 -2.088 -13.064 4.533 1.00 0.00 C ATOM 146 CG GLU A 11 -1.360 -12.556 5.769 1.00 0.00 C ATOM 147 CD GLU A 11 -1.061 -13.718 6.718 1.00 0.00 C ATOM 148 OE1 GLU A 11 -0.755 -14.807 6.235 1.00 0.00 O ATOM 149 OE2 GLU A 11 -1.138 -13.521 7.930 1.00 0.00 O ATOM 0 H GLU A 11 -4.126 -12.728 3.273 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.909 -11.020 3.888 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.091 -13.391 4.808 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.567 -13.934 4.134 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.431 -12.066 5.478 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.969 -11.808 6.278 1.00 0.00 H new ATOM 156 N LYS A 12 -1.359 -13.512 1.817 1.00 0.00 N ATOM 157 CA LYS A 12 -0.497 -13.947 0.730 1.00 0.00 C ATOM 158 C LYS A 12 -0.691 -13.049 -0.493 1.00 0.00 C ATOM 159 O LYS A 12 -1.559 -13.273 -1.328 1.00 0.00 O ATOM 160 CB LYS A 12 -0.830 -15.395 0.385 1.00 0.00 C ATOM 161 CG LYS A 12 -0.616 -16.317 1.585 1.00 0.00 C ATOM 162 CD LYS A 12 -1.472 -17.578 1.481 1.00 0.00 C ATOM 163 CE LYS A 12 -1.184 -18.346 0.191 1.00 0.00 C ATOM 164 NZ LYS A 12 -1.998 -19.549 0.071 1.00 0.00 N ATOM 0 H LYS A 12 -2.047 -14.195 2.134 1.00 0.00 H new ATOM 0 HA LYS A 12 0.546 -13.877 1.039 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.866 -15.463 0.052 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -0.206 -15.725 -0.446 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.436 -16.594 1.649 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -0.862 -15.784 2.503 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.279 -18.222 2.339 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.527 -17.307 1.516 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.370 -17.697 -0.665 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -0.129 -18.619 0.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.768 -20.036 -0.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.803 -20.182 0.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.005 -19.288 0.073 1.00 0.00 H new ATOM 178 N MET A 13 0.187 -12.029 -0.543 1.00 0.00 N ATOM 179 CA MET A 13 0.121 -11.102 -1.663 1.00 0.00 C ATOM 180 C MET A 13 1.446 -10.336 -1.763 1.00 0.00 C ATOM 181 O MET A 13 2.083 -10.020 -0.766 1.00 0.00 O ATOM 182 CB MET A 13 -1.043 -10.134 -1.459 1.00 0.00 C ATOM 183 CG MET A 13 -2.390 -10.795 -1.757 1.00 0.00 C ATOM 184 SD MET A 13 -2.331 -11.706 -3.309 1.00 0.00 S ATOM 185 CE MET A 13 -3.964 -11.264 -3.925 1.00 0.00 C ATOM 0 H MET A 13 0.913 -11.839 0.148 1.00 0.00 H new ATOM 0 HA MET A 13 -0.042 -11.651 -2.590 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.037 -9.769 -0.432 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.912 -9.267 -2.106 1.00 0.00 H new ATOM 0 HG2 MET A 13 -2.655 -11.471 -0.944 1.00 0.00 H new ATOM 0 HG3 MET A 13 -3.169 -10.035 -1.807 1.00 0.00 H new ATOM 0 HE1 MET A 13 -4.134 -11.750 -4.886 1.00 0.00 H new ATOM 0 HE2 MET A 13 -4.722 -11.591 -3.213 1.00 0.00 H new ATOM 0 HE3 MET A 13 -4.026 -10.183 -4.049 1.00 0.00 H new ATOM 195 N PRO A 14 1.830 -10.056 -3.036 1.00 0.00 N ATOM 196 CA PRO A 14 3.052 -9.335 -3.351 1.00 0.00 C ATOM 197 C PRO A 14 2.858 -7.843 -3.151 1.00 0.00 C ATOM 198 O PRO A 14 3.422 -7.209 -2.278 1.00 0.00 O ATOM 199 CB PRO A 14 3.279 -9.574 -4.841 1.00 0.00 C ATOM 200 CG PRO A 14 1.921 -10.004 -5.408 1.00 0.00 C ATOM 201 CD PRO A 14 1.071 -10.445 -4.213 1.00 0.00 C ATOM 0 HA PRO A 14 3.876 -9.667 -2.720 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.639 -8.669 -5.332 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.032 -10.345 -5.003 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.445 -9.181 -5.940 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.039 -10.819 -6.122 1.00 0.00 H new ATOM 0 HD2 PRO A 14 0.093 -9.963 -4.227 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.897 -11.521 -4.230 1.00 0.00 H new ATOM 209 N TRP A 15 1.982 -7.354 -4.033 1.00 0.00 N ATOM 210 CA TRP A 15 1.660 -5.935 -4.012 1.00 0.00 C ATOM 211 C TRP A 15 0.873 -5.553 -2.749 1.00 0.00 C ATOM 212 O TRP A 15 0.226 -4.516 -2.705 1.00 0.00 O ATOM 213 CB TRP A 15 0.847 -5.577 -5.264 1.00 0.00 C ATOM 214 CG TRP A 15 -0.481 -6.314 -5.283 1.00 0.00 C ATOM 215 CD1 TRP A 15 -0.797 -7.476 -4.577 1.00 0.00 C ATOM 216 CD2 TRP A 15 -1.640 -5.960 -6.044 1.00 0.00 C ATOM 217 NE1 TRP A 15 -2.079 -7.849 -4.862 1.00 0.00 N ATOM 218 CE2 TRP A 15 -2.640 -6.943 -5.764 1.00 0.00 C ATOM 219 CE3 TRP A 15 -1.907 -4.916 -6.919 1.00 0.00 C ATOM 220 CZ2 TRP A 15 -3.891 -6.866 -6.363 1.00 0.00 C ATOM 221 CZ3 TRP A 15 -3.181 -4.829 -7.537 1.00 0.00 C ATOM 222 CH2 TRP A 15 -4.173 -5.805 -7.258 1.00 0.00 C ATOM 0 H TRP A 15 1.500 -7.902 -4.746 1.00 0.00 H new ATOM 0 HA TRP A 15 2.594 -5.373 -4.003 1.00 0.00 H new ATOM 0 HB2 TRP A 15 0.670 -4.502 -5.291 1.00 0.00 H new ATOM 0 HB3 TRP A 15 1.419 -5.829 -6.157 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -0.130 -7.999 -3.908 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -2.554 -8.665 -4.475 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -1.150 -4.175 -7.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -4.644 -7.610 -6.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -3.396 -4.020 -8.220 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -5.143 -5.739 -7.728 1.00 0.00 H new ATOM 233 N PHE A 16 0.974 -6.431 -1.728 1.00 0.00 N ATOM 234 CA PHE A 16 0.273 -6.135 -0.502 1.00 0.00 C ATOM 235 C PHE A 16 1.309 -5.872 0.602 1.00 0.00 C ATOM 236 O PHE A 16 2.240 -5.093 0.439 1.00 0.00 O ATOM 237 CB PHE A 16 -0.656 -7.304 -0.160 1.00 0.00 C ATOM 238 CG PHE A 16 -1.654 -6.933 0.901 1.00 0.00 C ATOM 239 CD1 PHE A 16 -2.519 -5.822 0.732 1.00 0.00 C ATOM 240 CD2 PHE A 16 -1.743 -7.699 2.087 1.00 0.00 C ATOM 241 CE1 PHE A 16 -3.453 -5.490 1.737 1.00 0.00 C ATOM 242 CE2 PHE A 16 -2.674 -7.364 3.091 1.00 0.00 C ATOM 243 CZ PHE A 16 -3.531 -6.259 2.917 1.00 0.00 C ATOM 0 H PHE A 16 1.508 -7.300 -1.740 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.346 -5.244 -0.605 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.183 -7.624 -1.059 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.062 -8.152 0.180 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.463 -5.228 -0.168 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.091 -8.549 2.225 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.110 -4.644 1.602 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.730 -7.954 3.994 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.245 -6.002 3.685 1.00 0.00 H new ATOM 253 N HIS A 17 1.081 -6.571 1.722 1.00 0.00 N ATOM 254 CA HIS A 17 1.968 -6.412 2.856 1.00 0.00 C ATOM 255 C HIS A 17 1.820 -7.608 3.826 1.00 0.00 C ATOM 256 O HIS A 17 2.511 -7.712 4.831 1.00 0.00 O ATOM 257 CB HIS A 17 1.589 -5.078 3.506 1.00 0.00 C ATOM 258 CG HIS A 17 1.575 -5.154 5.017 1.00 0.00 C ATOM 259 ND1 HIS A 17 2.445 -4.518 5.829 1.00 0.00 N ATOM 260 CD2 HIS A 17 0.667 -5.867 5.810 1.00 0.00 C ATOM 261 CE1 HIS A 17 2.082 -4.829 7.085 1.00 0.00 C ATOM 262 NE2 HIS A 17 1.009 -5.645 7.101 1.00 0.00 N ATOM 0 H HIS A 17 0.313 -7.229 1.856 1.00 0.00 H new ATOM 0 HA HIS A 17 3.017 -6.399 2.561 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.295 -4.310 3.190 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.605 -4.771 3.152 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -0.151 -6.478 5.458 1.00 0.00 H new ATOM 0 HE1 HIS A 17 2.586 -4.470 7.970 1.00 0.00 H new ATOM 0 HE2 HIS A 17 0.544 -6.022 7.927 1.00 0.00 H new ATOM 270 N GLY A 18 0.866 -8.477 3.466 1.00 0.00 N ATOM 271 CA GLY A 18 0.607 -9.634 4.305 1.00 0.00 C ATOM 272 C GLY A 18 1.850 -10.527 4.514 1.00 0.00 C ATOM 273 O GLY A 18 1.780 -11.577 5.142 1.00 0.00 O ATOM 0 H GLY A 18 0.285 -8.400 2.631 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.243 -9.296 5.275 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -0.188 -10.229 3.856 1.00 0.00 H new ATOM 277 N LYS A 19 2.979 -10.047 3.954 1.00 0.00 N ATOM 278 CA LYS A 19 4.211 -10.805 4.102 1.00 0.00 C ATOM 279 C LYS A 19 5.364 -9.860 4.459 1.00 0.00 C ATOM 280 O LYS A 19 6.496 -10.037 4.027 1.00 0.00 O ATOM 281 CB LYS A 19 4.506 -11.531 2.795 1.00 0.00 C ATOM 282 CG LYS A 19 5.430 -12.731 3.010 1.00 0.00 C ATOM 283 CD LYS A 19 4.774 -13.792 3.894 1.00 0.00 C ATOM 284 CE LYS A 19 5.537 -15.116 3.847 1.00 0.00 C ATOM 285 NZ LYS A 19 4.943 -16.131 4.710 1.00 0.00 N ATOM 0 H LYS A 19 3.053 -9.180 3.422 1.00 0.00 H new ATOM 0 HA LYS A 19 4.102 -11.535 4.904 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.571 -11.867 2.347 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.967 -10.839 2.090 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.690 -13.169 2.046 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.360 -12.397 3.470 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.731 -13.433 4.922 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.746 -13.952 3.569 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.559 -15.483 2.821 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.571 -14.947 4.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.495 -17.010 4.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.945 -15.794 5.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.965 -16.314 4.408 1.00 0.00 H new ATOM 299 N ILE A 20 5.000 -8.851 5.278 1.00 0.00 N ATOM 300 CA ILE A 20 6.008 -7.879 5.683 1.00 0.00 C ATOM 301 C ILE A 20 5.491 -7.070 6.870 1.00 0.00 C ATOM 302 O ILE A 20 4.307 -7.066 7.187 1.00 0.00 O ATOM 303 CB ILE A 20 6.347 -6.939 4.519 1.00 0.00 C ATOM 304 CG1 ILE A 20 5.273 -6.982 3.425 1.00 0.00 C ATOM 305 CG2 ILE A 20 7.711 -7.289 3.928 1.00 0.00 C ATOM 306 CD1 ILE A 20 5.288 -5.711 2.579 1.00 0.00 C ATOM 0 H ILE A 20 4.062 -8.700 5.650 1.00 0.00 H new ATOM 0 HA ILE A 20 6.914 -8.412 5.973 1.00 0.00 H new ATOM 0 HB ILE A 20 6.380 -5.925 4.917 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.438 -7.849 2.785 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.291 -7.105 3.882 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.935 -6.612 3.104 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.477 -7.190 4.697 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.696 -8.315 3.561 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.515 -5.774 1.813 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.098 -4.847 3.216 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.262 -5.603 2.103 1.00 0.00 H new ATOM 318 N SER A 21 6.466 -6.389 7.502 1.00 0.00 N ATOM 319 CA SER A 21 6.125 -5.572 8.644 1.00 0.00 C ATOM 320 C SER A 21 5.797 -4.154 8.173 1.00 0.00 C ATOM 321 O SER A 21 4.658 -3.796 7.901 1.00 0.00 O ATOM 322 CB SER A 21 7.299 -5.571 9.619 1.00 0.00 C ATOM 323 OG SER A 21 7.421 -6.820 10.250 1.00 0.00 O ATOM 0 H SER A 21 7.452 -6.396 7.243 1.00 0.00 H new ATOM 0 HA SER A 21 5.249 -5.973 9.153 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.220 -5.335 9.086 1.00 0.00 H new ATOM 0 HB3 SER A 21 7.156 -4.792 10.368 1.00 0.00 H new ATOM 0 HG SER A 21 8.034 -7.387 9.737 1.00 0.00 H new ATOM 329 N ARG A 22 6.891 -3.392 8.106 1.00 0.00 N ATOM 330 CA ARG A 22 6.798 -2.009 7.667 1.00 0.00 C ATOM 331 C ARG A 22 8.178 -1.608 7.153 1.00 0.00 C ATOM 332 O ARG A 22 8.338 -0.995 6.104 1.00 0.00 O ATOM 333 CB ARG A 22 6.379 -1.114 8.828 1.00 0.00 C ATOM 334 CG ARG A 22 5.053 -0.409 8.546 1.00 0.00 C ATOM 335 CD ARG A 22 4.721 0.615 9.632 1.00 0.00 C ATOM 336 NE ARG A 22 5.774 1.610 9.723 1.00 0.00 N ATOM 337 CZ ARG A 22 5.929 2.287 10.877 1.00 0.00 C ATOM 338 NH1 ARG A 22 5.122 2.046 11.906 1.00 0.00 N ATOM 339 NH2 ARG A 22 6.889 3.201 10.986 1.00 0.00 N ATOM 0 H ARG A 22 7.831 -3.706 8.346 1.00 0.00 H new ATOM 0 HA ARG A 22 6.049 -1.899 6.882 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.288 -1.712 9.735 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.154 -0.371 9.013 1.00 0.00 H new ATOM 0 HG2 ARG A 22 5.103 0.089 7.578 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.253 -1.147 8.484 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.771 1.100 9.406 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.602 0.112 10.592 1.00 0.00 H new ATOM 0 HE ARG A 22 6.385 1.793 8.927 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.384 1.347 11.822 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.241 2.560 12.779 1.00 0.00 H new ATOM 0 HH21 ARG A 22 7.507 3.389 10.196 1.00 0.00 H new ATOM 0 HH22 ARG A 22 7.008 3.714 11.859 1.00 0.00 H new ATOM 353 N GLU A 23 9.156 -2.014 7.982 1.00 0.00 N ATOM 354 CA GLU A 23 10.529 -1.769 7.643 1.00 0.00 C ATOM 355 C GLU A 23 10.924 -2.756 6.561 1.00 0.00 C ATOM 356 O GLU A 23 11.555 -2.431 5.565 1.00 0.00 O ATOM 357 CB GLU A 23 11.355 -1.985 8.903 1.00 0.00 C ATOM 358 CG GLU A 23 11.821 -3.428 9.074 1.00 0.00 C ATOM 359 CD GLU A 23 12.751 -3.534 10.285 1.00 0.00 C ATOM 360 OE1 GLU A 23 12.453 -2.920 11.308 1.00 0.00 O ATOM 361 OE2 GLU A 23 13.761 -4.229 10.190 1.00 0.00 O ATOM 0 H GLU A 23 9.006 -2.500 8.866 1.00 0.00 H new ATOM 0 HA GLU A 23 10.690 -0.756 7.274 1.00 0.00 H new ATOM 0 HB2 GLU A 23 12.225 -1.329 8.876 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.764 -1.695 9.772 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.961 -4.084 9.206 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.340 -3.761 8.175 1.00 0.00 H new ATOM 368 N GLU A 24 10.493 -3.988 6.852 1.00 0.00 N ATOM 369 CA GLU A 24 10.760 -5.064 5.917 1.00 0.00 C ATOM 370 C GLU A 24 10.226 -4.693 4.523 1.00 0.00 C ATOM 371 O GLU A 24 10.706 -5.169 3.503 1.00 0.00 O ATOM 372 CB GLU A 24 10.096 -6.337 6.426 1.00 0.00 C ATOM 373 CG GLU A 24 10.626 -6.730 7.804 1.00 0.00 C ATOM 374 CD GLU A 24 10.339 -8.209 8.070 1.00 0.00 C ATOM 375 OE1 GLU A 24 11.157 -9.043 7.685 1.00 0.00 O ATOM 376 OE2 GLU A 24 9.302 -8.511 8.658 1.00 0.00 O ATOM 0 H GLU A 24 9.980 -4.250 7.693 1.00 0.00 H new ATOM 0 HA GLU A 24 11.835 -5.228 5.836 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.017 -6.191 6.478 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.274 -7.149 5.721 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.699 -6.543 7.857 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.157 -6.116 8.572 1.00 0.00 H new ATOM 383 N SER A 25 9.216 -3.800 4.556 1.00 0.00 N ATOM 384 CA SER A 25 8.599 -3.378 3.308 1.00 0.00 C ATOM 385 C SER A 25 9.372 -2.222 2.655 1.00 0.00 C ATOM 386 O SER A 25 9.367 -2.062 1.440 1.00 0.00 O ATOM 387 CB SER A 25 7.162 -2.951 3.601 1.00 0.00 C ATOM 388 OG SER A 25 6.999 -2.661 4.966 1.00 0.00 O ATOM 0 H SER A 25 8.831 -3.379 5.402 1.00 0.00 H new ATOM 0 HA SER A 25 8.614 -4.212 2.606 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.909 -2.074 3.005 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.475 -3.745 3.308 1.00 0.00 H new ATOM 0 HG SER A 25 7.217 -1.720 5.129 1.00 0.00 H new ATOM 394 N GLU A 26 10.031 -1.431 3.524 1.00 0.00 N ATOM 395 CA GLU A 26 10.764 -0.300 3.014 1.00 0.00 C ATOM 396 C GLU A 26 12.217 -0.677 2.679 1.00 0.00 C ATOM 397 O GLU A 26 12.880 -0.023 1.882 1.00 0.00 O ATOM 398 CB GLU A 26 10.691 0.785 4.078 1.00 0.00 C ATOM 399 CG GLU A 26 11.984 1.572 4.173 1.00 0.00 C ATOM 400 CD GLU A 26 11.889 2.609 5.294 1.00 0.00 C ATOM 401 OE1 GLU A 26 10.809 3.165 5.488 1.00 0.00 O ATOM 402 OE2 GLU A 26 12.895 2.849 5.960 1.00 0.00 O ATOM 0 H GLU A 26 10.061 -1.560 4.535 1.00 0.00 H new ATOM 0 HA GLU A 26 10.330 0.054 2.079 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.869 1.463 3.849 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.470 0.332 5.044 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.817 0.895 4.363 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.187 2.069 3.224 1.00 0.00 H new ATOM 409 N GLN A 27 12.663 -1.769 3.324 1.00 0.00 N ATOM 410 CA GLN A 27 14.019 -2.224 3.052 1.00 0.00 C ATOM 411 C GLN A 27 13.964 -3.033 1.762 1.00 0.00 C ATOM 412 O GLN A 27 14.903 -3.094 0.985 1.00 0.00 O ATOM 413 CB GLN A 27 14.552 -3.062 4.212 1.00 0.00 C ATOM 414 CG GLN A 27 13.515 -4.061 4.714 1.00 0.00 C ATOM 415 CD GLN A 27 14.066 -5.483 4.597 1.00 0.00 C ATOM 416 OE1 GLN A 27 14.123 -6.237 5.561 1.00 0.00 O ATOM 417 NE2 GLN A 27 14.466 -5.790 3.350 1.00 0.00 N ATOM 0 H GLN A 27 12.133 -2.320 3.999 1.00 0.00 H new ATOM 0 HA GLN A 27 14.700 -1.380 2.942 1.00 0.00 H new ATOM 0 HB2 GLN A 27 15.447 -3.597 3.893 1.00 0.00 H new ATOM 0 HB3 GLN A 27 14.848 -2.404 5.029 1.00 0.00 H new ATOM 0 HG2 GLN A 27 13.260 -3.844 5.751 1.00 0.00 H new ATOM 0 HG3 GLN A 27 12.597 -3.968 4.134 1.00 0.00 H new ATOM 0 HE21 GLN A 27 14.383 -5.100 2.603 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.853 -6.713 3.151 1.00 0.00 H new ATOM 426 N ILE A 28 12.784 -3.647 1.591 1.00 0.00 N ATOM 427 CA ILE A 28 12.565 -4.387 0.401 1.00 0.00 C ATOM 428 C ILE A 28 12.589 -3.419 -0.764 1.00 0.00 C ATOM 429 O ILE A 28 13.165 -3.665 -1.817 1.00 0.00 O ATOM 430 CB ILE A 28 11.207 -5.035 0.545 1.00 0.00 C ATOM 431 CG1 ILE A 28 11.341 -6.394 1.197 1.00 0.00 C ATOM 432 CG2 ILE A 28 10.506 -5.148 -0.798 1.00 0.00 C ATOM 433 CD1 ILE A 28 10.010 -6.828 1.786 1.00 0.00 C ATOM 0 H ILE A 28 12.008 -3.632 2.253 1.00 0.00 H new ATOM 0 HA ILE A 28 13.324 -5.150 0.229 1.00 0.00 H new ATOM 0 HB ILE A 28 10.594 -4.401 1.185 1.00 0.00 H new ATOM 0 HG12 ILE A 28 11.678 -7.126 0.463 1.00 0.00 H new ATOM 0 HG13 ILE A 28 12.098 -6.356 1.980 1.00 0.00 H new ATOM 0 HG21 ILE A 28 9.532 -5.618 -0.662 1.00 0.00 H new ATOM 0 HG22 ILE A 28 10.373 -4.153 -1.224 1.00 0.00 H new ATOM 0 HG23 ILE A 28 11.110 -5.754 -1.474 1.00 0.00 H new ATOM 0 HD11 ILE A 28 10.120 -7.807 2.252 1.00 0.00 H new ATOM 0 HD12 ILE A 28 9.690 -6.104 2.535 1.00 0.00 H new ATOM 0 HD13 ILE A 28 9.263 -6.885 0.994 1.00 0.00 H new ATOM 445 N VAL A 29 11.905 -2.307 -0.494 1.00 0.00 N ATOM 446 CA VAL A 29 11.871 -1.272 -1.490 1.00 0.00 C ATOM 447 C VAL A 29 13.289 -0.839 -1.811 1.00 0.00 C ATOM 448 O VAL A 29 13.606 -0.425 -2.918 1.00 0.00 O ATOM 449 CB VAL A 29 11.076 -0.091 -0.927 1.00 0.00 C ATOM 450 CG1 VAL A 29 11.593 1.220 -1.501 1.00 0.00 C ATOM 451 CG2 VAL A 29 9.575 -0.237 -1.186 1.00 0.00 C ATOM 0 H VAL A 29 11.394 -2.117 0.368 1.00 0.00 H new ATOM 0 HA VAL A 29 11.399 -1.634 -2.403 1.00 0.00 H new ATOM 0 HB VAL A 29 11.220 -0.085 0.153 1.00 0.00 H new ATOM 0 HG11 VAL A 29 11.017 2.049 -1.090 1.00 0.00 H new ATOM 0 HG12 VAL A 29 12.644 1.343 -1.238 1.00 0.00 H new ATOM 0 HG13 VAL A 29 11.489 1.208 -2.586 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.049 0.622 -0.770 1.00 0.00 H new ATOM 0 HG22 VAL A 29 9.394 -0.288 -2.260 1.00 0.00 H new ATOM 0 HG23 VAL A 29 9.211 -1.149 -0.713 1.00 0.00 H new ATOM 461 N LEU A 30 14.116 -0.963 -0.776 1.00 0.00 N ATOM 462 CA LEU A 30 15.473 -0.595 -0.947 1.00 0.00 C ATOM 463 C LEU A 30 16.061 -1.472 -2.050 1.00 0.00 C ATOM 464 O LEU A 30 16.901 -1.060 -2.841 1.00 0.00 O ATOM 465 CB LEU A 30 16.134 -0.835 0.404 1.00 0.00 C ATOM 466 CG LEU A 30 17.081 -2.024 0.399 1.00 0.00 C ATOM 467 CD1 LEU A 30 18.446 -1.622 -0.127 1.00 0.00 C ATOM 468 CD2 LEU A 30 17.205 -2.611 1.788 1.00 0.00 C ATOM 0 H LEU A 30 13.860 -1.306 0.150 1.00 0.00 H new ATOM 0 HA LEU A 30 15.618 0.443 -1.246 1.00 0.00 H new ATOM 0 HB2 LEU A 30 16.684 0.059 0.697 1.00 0.00 H new ATOM 0 HB3 LEU A 30 15.362 -0.996 1.157 1.00 0.00 H new ATOM 0 HG LEU A 30 16.667 -2.784 -0.264 1.00 0.00 H new ATOM 0 HD11 LEU A 30 19.108 -2.488 -0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 30 18.347 -1.247 -1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 30 18.865 -0.842 0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 30 17.887 -3.461 1.764 1.00 0.00 H new ATOM 0 HD22 LEU A 30 17.592 -1.854 2.470 1.00 0.00 H new ATOM 0 HD23 LEU A 30 16.225 -2.942 2.132 1.00 0.00 H new ATOM 480 N ILE A 31 15.541 -2.717 -2.032 1.00 0.00 N ATOM 481 CA ILE A 31 15.986 -3.670 -2.998 1.00 0.00 C ATOM 482 C ILE A 31 15.456 -3.287 -4.354 1.00 0.00 C ATOM 483 O ILE A 31 16.172 -2.911 -5.274 1.00 0.00 O ATOM 484 CB ILE A 31 15.435 -5.059 -2.688 1.00 0.00 C ATOM 485 CG1 ILE A 31 15.101 -5.271 -1.226 1.00 0.00 C ATOM 486 CG2 ILE A 31 16.401 -6.095 -3.163 1.00 0.00 C ATOM 487 CD1 ILE A 31 16.228 -5.980 -0.474 1.00 0.00 C ATOM 0 H ILE A 31 14.838 -3.052 -1.373 1.00 0.00 H new ATOM 0 HA ILE A 31 17.076 -3.682 -2.975 1.00 0.00 H new ATOM 0 HB ILE A 31 14.489 -5.151 -3.222 1.00 0.00 H new ATOM 0 HG12 ILE A 31 14.903 -4.307 -0.757 1.00 0.00 H new ATOM 0 HG13 ILE A 31 14.187 -5.859 -1.145 1.00 0.00 H new ATOM 0 HG21 ILE A 31 16.008 -7.087 -2.942 1.00 0.00 H new ATOM 0 HG22 ILE A 31 16.544 -5.993 -4.239 1.00 0.00 H new ATOM 0 HG23 ILE A 31 17.356 -5.962 -2.655 1.00 0.00 H new ATOM 0 HD11 ILE A 31 15.943 -6.110 0.570 1.00 0.00 H new ATOM 0 HD12 ILE A 31 16.409 -6.956 -0.925 1.00 0.00 H new ATOM 0 HD13 ILE A 31 17.136 -5.380 -0.530 1.00 0.00 H new ATOM 499 N GLY A 32 14.126 -3.426 -4.387 1.00 0.00 N ATOM 500 CA GLY A 32 13.437 -3.178 -5.624 1.00 0.00 C ATOM 501 C GLY A 32 12.797 -1.793 -5.669 1.00 0.00 C ATOM 502 O GLY A 32 12.176 -1.340 -4.717 1.00 0.00 O ATOM 0 H GLY A 32 13.539 -3.698 -3.598 1.00 0.00 H new ATOM 0 HA2 GLY A 32 14.138 -3.278 -6.453 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.666 -3.936 -5.765 1.00 0.00 H new ATOM 506 N SER A 33 13.003 -1.178 -6.857 1.00 0.00 N ATOM 507 CA SER A 33 12.471 0.160 -7.099 1.00 0.00 C ATOM 508 C SER A 33 13.470 0.920 -7.980 1.00 0.00 C ATOM 509 O SER A 33 13.976 0.385 -8.957 1.00 0.00 O ATOM 510 CB SER A 33 12.221 0.878 -5.773 1.00 0.00 C ATOM 511 OG SER A 33 13.313 0.699 -4.910 1.00 0.00 O ATOM 0 H SER A 33 13.521 -1.583 -7.637 1.00 0.00 H new ATOM 0 HA SER A 33 11.512 0.105 -7.615 1.00 0.00 H new ATOM 0 HB2 SER A 33 12.060 1.941 -5.952 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.314 0.492 -5.308 1.00 0.00 H new ATOM 0 HG SER A 33 13.069 0.069 -4.200 1.00 0.00 H new ATOM 517 N LYS A 34 13.708 2.193 -7.585 1.00 0.00 N ATOM 518 CA LYS A 34 14.662 3.001 -8.345 1.00 0.00 C ATOM 519 C LYS A 34 14.065 3.476 -9.659 1.00 0.00 C ATOM 520 O LYS A 34 14.280 4.596 -10.108 1.00 0.00 O ATOM 521 CB LYS A 34 15.890 2.155 -8.660 1.00 0.00 C ATOM 522 CG LYS A 34 16.368 1.396 -7.430 1.00 0.00 C ATOM 523 CD LYS A 34 17.880 1.170 -7.457 1.00 0.00 C ATOM 524 CE LYS A 34 18.367 0.486 -6.180 1.00 0.00 C ATOM 525 NZ LYS A 34 19.814 0.313 -6.160 1.00 0.00 N ATOM 0 H LYS A 34 13.274 2.655 -6.786 1.00 0.00 H new ATOM 0 HA LYS A 34 14.924 3.870 -7.741 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.654 1.449 -9.457 1.00 0.00 H new ATOM 0 HB3 LYS A 34 16.691 2.796 -9.029 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.099 1.952 -6.532 1.00 0.00 H new ATOM 0 HG3 LYS A 34 15.857 0.435 -7.374 1.00 0.00 H new ATOM 0 HD2 LYS A 34 18.142 0.559 -8.321 1.00 0.00 H new ATOM 0 HD3 LYS A 34 18.390 2.126 -7.576 1.00 0.00 H new ATOM 0 HE2 LYS A 34 18.062 1.076 -5.316 1.00 0.00 H new ATOM 0 HE3 LYS A 34 17.886 -0.488 -6.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 20.095 -0.155 -5.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 20.105 -0.273 -6.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 20.276 1.243 -6.222 1.00 0.00 H new ATOM 539 N THR A 35 13.308 2.546 -10.237 1.00 0.00 N ATOM 540 CA THR A 35 12.732 2.803 -11.523 1.00 0.00 C ATOM 541 C THR A 35 11.485 3.685 -11.470 1.00 0.00 C ATOM 542 O THR A 35 10.894 4.037 -12.484 1.00 0.00 O ATOM 543 CB THR A 35 12.413 1.452 -12.089 1.00 0.00 C ATOM 544 OG1 THR A 35 12.022 0.586 -11.050 1.00 0.00 O ATOM 545 CG2 THR A 35 13.621 0.872 -12.819 1.00 0.00 C ATOM 0 H THR A 35 13.092 1.634 -9.835 1.00 0.00 H new ATOM 0 HA THR A 35 13.431 3.365 -12.142 1.00 0.00 H new ATOM 0 HB THR A 35 11.597 1.557 -12.804 1.00 0.00 H new ATOM 0 HG1 THR A 35 11.812 -0.296 -11.421 1.00 0.00 H new ATOM 0 HG21 THR A 35 13.367 -0.109 -13.221 1.00 0.00 H new ATOM 0 HG22 THR A 35 13.907 1.536 -13.635 1.00 0.00 H new ATOM 0 HG23 THR A 35 14.454 0.773 -12.123 1.00 0.00 H new ATOM 553 N ASN A 36 11.141 3.992 -10.236 1.00 0.00 N ATOM 554 CA ASN A 36 9.989 4.842 -10.004 1.00 0.00 C ATOM 555 C ASN A 36 8.727 4.130 -10.472 1.00 0.00 C ATOM 556 O ASN A 36 8.455 3.991 -11.658 1.00 0.00 O ATOM 557 CB ASN A 36 10.171 6.165 -10.743 1.00 0.00 C ATOM 558 CG ASN A 36 8.890 6.995 -10.648 1.00 0.00 C ATOM 559 OD1 ASN A 36 8.296 7.385 -11.646 1.00 0.00 O ATOM 560 ND2 ASN A 36 8.512 7.235 -9.380 1.00 0.00 N ATOM 0 H ASN A 36 11.627 3.676 -9.397 1.00 0.00 H new ATOM 0 HA ASN A 36 9.894 5.051 -8.938 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.006 6.719 -10.314 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.416 5.977 -11.788 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.671 7.781 -9.193 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.067 6.871 -8.605 1.00 0.00 H new ATOM 567 N GLY A 37 7.983 3.694 -9.447 1.00 0.00 N ATOM 568 CA GLY A 37 6.743 2.992 -9.723 1.00 0.00 C ATOM 569 C GLY A 37 6.614 1.710 -8.893 1.00 0.00 C ATOM 570 O GLY A 37 5.657 0.961 -9.032 1.00 0.00 O ATOM 0 H GLY A 37 8.213 3.812 -8.460 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.899 3.648 -9.510 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.695 2.744 -10.783 1.00 0.00 H new ATOM 574 N LYS A 38 7.622 1.497 -8.023 1.00 0.00 N ATOM 575 CA LYS A 38 7.546 0.311 -7.213 1.00 0.00 C ATOM 576 C LYS A 38 6.697 0.641 -6.014 1.00 0.00 C ATOM 577 O LYS A 38 6.724 1.747 -5.491 1.00 0.00 O ATOM 578 CB LYS A 38 8.931 -0.135 -6.784 1.00 0.00 C ATOM 579 CG LYS A 38 8.991 -1.648 -6.580 1.00 0.00 C ATOM 580 CD LYS A 38 9.755 -2.337 -7.707 1.00 0.00 C ATOM 581 CE LYS A 38 9.998 -3.816 -7.400 1.00 0.00 C ATOM 582 NZ LYS A 38 10.829 -4.464 -8.407 1.00 0.00 N ATOM 0 H LYS A 38 8.436 2.096 -7.882 1.00 0.00 H new ATOM 0 HA LYS A 38 7.106 -0.510 -7.778 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.660 0.161 -7.538 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.207 0.370 -5.858 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.471 -1.868 -5.627 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.979 -2.049 -6.528 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.194 -2.245 -8.637 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.710 -1.835 -7.860 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.476 -3.908 -6.425 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.041 -4.333 -7.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.364 -5.335 -8.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.963 -3.821 -9.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.754 -4.699 -7.994 1.00 0.00 H new ATOM 596 N PHE A 39 5.945 -0.377 -5.609 1.00 0.00 N ATOM 597 CA PHE A 39 5.069 -0.120 -4.485 1.00 0.00 C ATOM 598 C PHE A 39 4.601 -1.402 -3.803 1.00 0.00 C ATOM 599 O PHE A 39 4.591 -2.484 -4.365 1.00 0.00 O ATOM 600 CB PHE A 39 3.868 0.685 -4.991 1.00 0.00 C ATOM 601 CG PHE A 39 2.804 -0.210 -5.568 1.00 0.00 C ATOM 602 CD1 PHE A 39 2.917 -0.713 -6.887 1.00 0.00 C ATOM 603 CD2 PHE A 39 1.687 -0.568 -4.783 1.00 0.00 C ATOM 604 CE1 PHE A 39 1.919 -1.567 -7.411 1.00 0.00 C ATOM 605 CE2 PHE A 39 0.690 -1.419 -5.304 1.00 0.00 C ATOM 606 CZ PHE A 39 0.805 -1.921 -6.619 1.00 0.00 C ATOM 0 H PHE A 39 5.923 -1.316 -6.008 1.00 0.00 H new ATOM 0 HA PHE A 39 5.623 0.441 -3.733 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.449 1.268 -4.171 1.00 0.00 H new ATOM 0 HB3 PHE A 39 4.198 1.394 -5.750 1.00 0.00 H new ATOM 0 HD1 PHE A 39 3.768 -0.444 -7.495 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.595 -0.188 -3.776 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.009 -1.949 -8.417 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -0.162 -1.687 -4.697 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.043 -2.574 -7.018 1.00 0.00 H new ATOM 616 N LEU A 40 4.178 -1.156 -2.558 1.00 0.00 N ATOM 617 CA LEU A 40 3.642 -2.236 -1.752 1.00 0.00 C ATOM 618 C LEU A 40 2.751 -1.611 -0.677 1.00 0.00 C ATOM 619 O LEU A 40 3.192 -0.811 0.138 1.00 0.00 O ATOM 620 CB LEU A 40 4.779 -3.035 -1.125 1.00 0.00 C ATOM 621 CG LEU A 40 5.428 -2.277 0.030 1.00 0.00 C ATOM 622 CD1 LEU A 40 4.684 -2.547 1.337 1.00 0.00 C ATOM 623 CD2 LEU A 40 6.895 -2.681 0.163 1.00 0.00 C ATOM 0 H LEU A 40 4.198 -0.243 -2.105 1.00 0.00 H new ATOM 0 HA LEU A 40 3.059 -2.925 -2.363 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.398 -3.991 -0.765 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.530 -3.257 -1.883 1.00 0.00 H new ATOM 0 HG LEU A 40 5.373 -1.209 -0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.162 -1.998 2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.648 -2.222 1.240 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.710 -3.614 1.557 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.349 -2.135 0.990 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.961 -3.752 0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.423 -2.445 -0.761 1.00 0.00 H new ATOM 635 N ILE A 41 1.473 -2.025 -0.730 1.00 0.00 N ATOM 636 CA ILE A 41 0.530 -1.473 0.232 1.00 0.00 C ATOM 637 C ILE A 41 0.687 -2.176 1.578 1.00 0.00 C ATOM 638 O ILE A 41 0.993 -3.358 1.658 1.00 0.00 O ATOM 639 CB ILE A 41 -0.893 -1.634 -0.299 1.00 0.00 C ATOM 640 CG1 ILE A 41 -1.886 -0.869 0.571 1.00 0.00 C ATOM 641 CG2 ILE A 41 -1.287 -3.105 -0.354 1.00 0.00 C ATOM 642 CD1 ILE A 41 -2.491 0.312 -0.188 1.00 0.00 C ATOM 0 H ILE A 41 1.093 -2.702 -1.392 1.00 0.00 H new ATOM 0 HA ILE A 41 0.733 -0.412 0.374 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.919 -1.224 -1.308 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.680 -1.540 0.897 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.384 -0.509 1.469 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.304 -3.195 -0.735 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.604 -3.640 -1.013 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.235 -3.533 0.647 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.194 0.838 0.458 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.697 0.995 -0.491 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.013 -0.053 -1.072 1.00 0.00 H new ATOM 654 N ARG A 42 0.464 -1.357 2.625 1.00 0.00 N ATOM 655 CA ARG A 42 0.569 -1.892 3.971 1.00 0.00 C ATOM 656 C ARG A 42 -0.784 -1.764 4.670 1.00 0.00 C ATOM 657 O ARG A 42 -1.482 -0.764 4.546 1.00 0.00 O ATOM 658 CB ARG A 42 1.653 -1.138 4.740 1.00 0.00 C ATOM 659 CG ARG A 42 1.625 -1.476 6.230 1.00 0.00 C ATOM 660 CD ARG A 42 0.734 -0.507 7.008 1.00 0.00 C ATOM 661 NE ARG A 42 0.483 -1.014 8.344 1.00 0.00 N ATOM 662 CZ ARG A 42 -0.113 -0.203 9.239 1.00 0.00 C ATOM 663 NH1 ARG A 42 -0.453 1.035 8.894 1.00 0.00 N ATOM 664 NH2 ARG A 42 -0.361 -0.641 10.470 1.00 0.00 N ATOM 0 H ARG A 42 0.221 -0.368 2.560 1.00 0.00 H new ATOM 0 HA ARG A 42 0.846 -2.946 3.933 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.631 -1.386 4.328 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.514 -0.065 4.607 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.262 -2.495 6.366 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.638 -1.442 6.631 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.213 0.470 7.067 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.210 -0.368 6.481 1.00 0.00 H new ATOM 0 HE ARG A 42 0.752 -1.964 8.600 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.263 1.372 7.950 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.904 1.648 9.573 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.100 -1.591 10.736 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.812 -0.027 11.148 1.00 0.00 H new ATOM 678 N ALA A 43 -1.105 -2.843 5.408 1.00 0.00 N ATOM 679 CA ALA A 43 -2.375 -2.842 6.116 1.00 0.00 C ATOM 680 C ALA A 43 -2.132 -2.846 7.627 1.00 0.00 C ATOM 681 O ALA A 43 -2.024 -1.806 8.265 1.00 0.00 O ATOM 682 CB ALA A 43 -3.192 -4.063 5.696 1.00 0.00 C ATOM 0 H ALA A 43 -0.531 -3.679 5.521 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.934 -1.941 5.863 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.144 -4.063 6.226 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.375 -4.027 4.622 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.641 -4.971 5.940 1.00 0.00 H new ATOM 688 N ARG A 44 -2.056 -4.084 8.151 1.00 0.00 N ATOM 689 CA ARG A 44 -1.842 -4.220 9.583 1.00 0.00 C ATOM 690 C ARG A 44 -0.364 -4.019 9.914 1.00 0.00 C ATOM 691 O ARG A 44 0.449 -3.720 9.049 1.00 0.00 O ATOM 692 CB ARG A 44 -2.305 -5.601 10.040 1.00 0.00 C ATOM 693 CG ARG A 44 -3.734 -5.563 10.581 1.00 0.00 C ATOM 694 CD ARG A 44 -3.887 -6.445 11.820 1.00 0.00 C ATOM 695 NE ARG A 44 -3.551 -7.822 11.505 1.00 0.00 N ATOM 696 CZ ARG A 44 -4.516 -8.635 11.035 1.00 0.00 C ATOM 697 NH1 ARG A 44 -5.752 -8.175 10.862 1.00 0.00 N ATOM 698 NH2 ARG A 44 -4.232 -9.901 10.742 1.00 0.00 N ATOM 0 H ARG A 44 -2.136 -4.956 7.628 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.420 -3.459 10.107 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.250 -6.299 9.205 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.632 -5.974 10.812 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.003 -4.536 10.828 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.426 -5.897 9.808 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.240 -6.079 12.617 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.911 -6.389 12.190 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.600 -8.167 11.637 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.971 -7.204 11.086 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.481 -8.793 10.506 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -3.284 -10.255 10.873 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.962 -10.518 10.386 1.00 0.00 H new ATOM 712 N ASP A 45 -0.109 -4.212 11.234 1.00 0.00 N ATOM 713 CA ASP A 45 1.239 -4.068 11.779 1.00 0.00 C ATOM 714 C ASP A 45 1.205 -3.059 12.926 1.00 0.00 C ATOM 715 O ASP A 45 1.296 -3.407 14.097 1.00 0.00 O ATOM 716 CB ASP A 45 2.209 -3.617 10.706 1.00 0.00 C ATOM 717 CG ASP A 45 3.600 -3.408 11.310 1.00 0.00 C ATOM 718 OD1 ASP A 45 3.842 -3.901 12.410 1.00 0.00 O ATOM 719 OD2 ASP A 45 4.424 -2.755 10.672 1.00 0.00 O ATOM 0 H ASP A 45 -0.819 -4.464 11.922 1.00 0.00 H new ATOM 0 HA ASP A 45 1.581 -5.034 12.150 1.00 0.00 H new ATOM 0 HB2 ASP A 45 2.257 -4.362 9.912 1.00 0.00 H new ATOM 0 HB3 ASP A 45 1.857 -2.690 10.253 1.00 0.00 H new ATOM 724 N ASN A 46 1.068 -1.790 12.504 1.00 0.00 N ATOM 725 CA ASN A 46 1.017 -0.728 13.495 1.00 0.00 C ATOM 726 C ASN A 46 -0.437 -0.312 13.714 1.00 0.00 C ATOM 727 O ASN A 46 -1.148 0.063 12.790 1.00 0.00 O ATOM 728 CB ASN A 46 1.847 0.459 13.013 1.00 0.00 C ATOM 729 CG ASN A 46 1.813 1.576 14.059 1.00 0.00 C ATOM 730 OD1 ASN A 46 0.993 2.485 14.009 1.00 0.00 O ATOM 731 ND2 ASN A 46 2.761 1.440 15.003 1.00 0.00 N ATOM 0 H ASN A 46 0.995 -1.494 11.531 1.00 0.00 H new ATOM 0 HA ASN A 46 1.429 -1.081 14.440 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.876 0.146 12.835 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.457 0.826 12.064 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.836 2.127 15.753 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.405 0.650 14.969 1.00 0.00 H new ATOM 738 N ASN A 47 -0.824 -0.406 14.999 1.00 0.00 N ATOM 739 CA ASN A 47 -2.188 -0.039 15.343 1.00 0.00 C ATOM 740 C ASN A 47 -2.564 1.259 14.629 1.00 0.00 C ATOM 741 O ASN A 47 -1.799 2.215 14.580 1.00 0.00 O ATOM 742 CB ASN A 47 -2.302 0.129 16.857 1.00 0.00 C ATOM 743 CG ASN A 47 -1.925 -1.180 17.555 1.00 0.00 C ATOM 744 OD1 ASN A 47 -0.758 -1.512 17.721 1.00 0.00 O ATOM 745 ND2 ASN A 47 -2.996 -1.892 17.949 1.00 0.00 N ATOM 0 H ASN A 47 -0.238 -0.718 15.773 1.00 0.00 H new ATOM 0 HA ASN A 47 -2.874 -0.824 15.024 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -1.647 0.933 17.193 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -3.319 0.414 17.125 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -2.868 -2.784 18.427 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -3.936 -1.540 17.770 1.00 0.00 H new ATOM 752 N GLY A 48 -3.791 1.221 14.079 1.00 0.00 N ATOM 753 CA GLY A 48 -4.270 2.392 13.370 1.00 0.00 C ATOM 754 C GLY A 48 -4.943 1.999 12.052 1.00 0.00 C ATOM 755 O GLY A 48 -5.777 1.104 11.993 1.00 0.00 O ATOM 0 H GLY A 48 -4.432 0.428 14.114 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.978 2.936 13.996 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.437 3.066 13.170 1.00 0.00 H new ATOM 759 N SER A 49 -4.521 2.732 11.006 1.00 0.00 N ATOM 760 CA SER A 49 -5.081 2.459 9.694 1.00 0.00 C ATOM 761 C SER A 49 -3.998 1.869 8.793 1.00 0.00 C ATOM 762 O SER A 49 -2.910 1.519 9.235 1.00 0.00 O ATOM 763 CB SER A 49 -5.632 3.751 9.095 1.00 0.00 C ATOM 764 OG SER A 49 -4.609 4.702 8.939 1.00 0.00 O ATOM 0 H SER A 49 -3.828 3.480 11.047 1.00 0.00 H new ATOM 0 HA SER A 49 -5.896 1.740 9.782 1.00 0.00 H new ATOM 0 HB2 SER A 49 -6.092 3.543 8.129 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.413 4.153 9.740 1.00 0.00 H new ATOM 0 HG SER A 49 -4.981 5.522 8.552 1.00 0.00 H new ATOM 770 N TYR A 50 -4.372 1.786 7.504 1.00 0.00 N ATOM 771 CA TYR A 50 -3.429 1.241 6.539 1.00 0.00 C ATOM 772 C TYR A 50 -2.625 2.386 5.926 1.00 0.00 C ATOM 773 O TYR A 50 -2.837 3.554 6.228 1.00 0.00 O ATOM 774 CB TYR A 50 -4.188 0.478 5.451 1.00 0.00 C ATOM 775 CG TYR A 50 -5.081 -0.585 6.034 1.00 0.00 C ATOM 776 CD1 TYR A 50 -4.798 -1.152 7.302 1.00 0.00 C ATOM 777 CD2 TYR A 50 -6.219 -1.030 5.317 1.00 0.00 C ATOM 778 CE1 TYR A 50 -5.641 -2.149 7.844 1.00 0.00 C ATOM 779 CE2 TYR A 50 -7.062 -2.026 5.860 1.00 0.00 C ATOM 780 CZ TYR A 50 -6.773 -2.585 7.123 1.00 0.00 C ATOM 781 OH TYR A 50 -7.596 -3.559 7.651 1.00 0.00 O ATOM 0 H TYR A 50 -5.275 2.076 7.129 1.00 0.00 H new ATOM 0 HA TYR A 50 -2.747 0.550 7.035 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.788 1.177 4.868 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.476 0.019 4.765 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.933 -0.820 7.857 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.444 -0.606 4.350 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.419 -2.577 8.810 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -7.928 -2.360 5.308 1.00 0.00 H new ATOM 0 HH TYR A 50 -8.329 -3.742 7.027 1.00 0.00 H new ATOM 791 N ALA A 51 -1.689 1.974 5.050 1.00 0.00 N ATOM 792 CA ALA A 51 -0.868 2.982 4.402 1.00 0.00 C ATOM 793 C ALA A 51 -0.110 2.367 3.222 1.00 0.00 C ATOM 794 O ALA A 51 0.488 1.303 3.313 1.00 0.00 O ATOM 795 CB ALA A 51 0.107 3.583 5.417 1.00 0.00 C ATOM 0 H ALA A 51 -1.497 1.006 4.793 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.509 3.776 4.019 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.721 4.339 4.928 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.453 4.042 6.232 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.748 2.797 5.816 1.00 0.00 H new ATOM 801 N LEU A 52 -0.188 3.124 2.112 1.00 0.00 N ATOM 802 CA LEU A 52 0.490 2.692 0.901 1.00 0.00 C ATOM 803 C LEU A 52 1.973 3.038 1.012 1.00 0.00 C ATOM 804 O LEU A 52 2.343 4.146 1.347 1.00 0.00 O ATOM 805 CB LEU A 52 -0.140 3.413 -0.293 1.00 0.00 C ATOM 806 CG LEU A 52 0.887 3.771 -1.371 1.00 0.00 C ATOM 807 CD1 LEU A 52 1.564 2.509 -1.909 1.00 0.00 C ATOM 808 CD2 LEU A 52 0.201 4.523 -2.507 1.00 0.00 C ATOM 0 H LEU A 52 -0.697 4.005 2.038 1.00 0.00 H new ATOM 0 HA LEU A 52 0.389 1.615 0.765 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.913 2.780 -0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.630 4.323 0.054 1.00 0.00 H new ATOM 0 HG LEU A 52 1.652 4.409 -0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.290 2.784 -2.674 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.072 1.993 -1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.812 1.850 -2.343 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.935 4.776 -3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.575 3.894 -2.943 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.248 5.437 -2.119 1.00 0.00 H new ATOM 820 N CYS A 53 2.792 2.024 0.694 1.00 0.00 N ATOM 821 CA CYS A 53 4.227 2.255 0.776 1.00 0.00 C ATOM 822 C CYS A 53 4.875 1.919 -0.541 1.00 0.00 C ATOM 823 O CYS A 53 4.890 0.786 -0.997 1.00 0.00 O ATOM 824 CB CYS A 53 4.837 1.418 1.896 1.00 0.00 C ATOM 825 SG CYS A 53 3.987 1.628 3.479 1.00 0.00 S ATOM 0 H CYS A 53 2.502 1.093 0.396 1.00 0.00 H new ATOM 0 HA CYS A 53 4.403 3.307 0.999 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.810 0.366 1.612 1.00 0.00 H new ATOM 0 HB3 CYS A 53 5.886 1.689 2.014 1.00 0.00 H new ATOM 0 HG CYS A 53 2.710 1.448 3.313 1.00 0.00 H new ATOM 831 N LEU A 54 5.429 2.994 -1.106 1.00 0.00 N ATOM 832 CA LEU A 54 6.061 2.843 -2.371 1.00 0.00 C ATOM 833 C LEU A 54 7.333 3.698 -2.426 1.00 0.00 C ATOM 834 O LEU A 54 7.633 4.428 -1.494 1.00 0.00 O ATOM 835 CB LEU A 54 4.994 3.194 -3.402 1.00 0.00 C ATOM 836 CG LEU A 54 4.799 4.697 -3.730 1.00 0.00 C ATOM 837 CD1 LEU A 54 3.321 5.060 -3.591 1.00 0.00 C ATOM 838 CD2 LEU A 54 5.614 5.635 -2.837 1.00 0.00 C ATOM 0 H LEU A 54 5.443 3.933 -0.709 1.00 0.00 H new ATOM 0 HA LEU A 54 6.417 1.832 -2.572 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.235 2.673 -4.329 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.041 2.797 -3.052 1.00 0.00 H new ATOM 0 HG LEU A 54 5.155 4.834 -4.751 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.183 6.116 -3.821 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.732 4.458 -4.282 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.993 4.865 -2.570 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.425 6.669 -3.127 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.323 5.491 -1.797 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.675 5.415 -2.951 1.00 0.00 H new ATOM 850 N LEU A 55 8.070 3.578 -3.550 1.00 0.00 N ATOM 851 CA LEU A 55 9.286 4.373 -3.618 1.00 0.00 C ATOM 852 C LEU A 55 9.301 5.229 -4.872 1.00 0.00 C ATOM 853 O LEU A 55 8.880 4.820 -5.947 1.00 0.00 O ATOM 854 CB LEU A 55 10.492 3.450 -3.594 1.00 0.00 C ATOM 855 CG LEU A 55 11.804 4.232 -3.428 1.00 0.00 C ATOM 856 CD1 LEU A 55 12.341 4.148 -2.005 1.00 0.00 C ATOM 857 CD2 LEU A 55 12.860 3.698 -4.377 1.00 0.00 C ATOM 0 H LEU A 55 7.860 2.987 -4.355 1.00 0.00 H new ATOM 0 HA LEU A 55 9.322 5.040 -2.756 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.388 2.737 -2.776 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.527 2.873 -4.518 1.00 0.00 H new ATOM 0 HG LEU A 55 11.582 5.275 -3.656 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.269 4.715 -1.932 1.00 0.00 H new ATOM 0 HD12 LEU A 55 11.607 4.563 -1.314 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.531 3.106 -1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 55 13.784 4.262 -4.248 1.00 0.00 H new ATOM 0 HD22 LEU A 55 13.044 2.646 -4.161 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.512 3.802 -5.405 1.00 0.00 H new ATOM 869 N HIS A 56 9.819 6.449 -4.652 1.00 0.00 N ATOM 870 CA HIS A 56 9.913 7.364 -5.770 1.00 0.00 C ATOM 871 C HIS A 56 11.134 6.991 -6.622 1.00 0.00 C ATOM 872 O HIS A 56 11.052 6.211 -7.561 1.00 0.00 O ATOM 873 CB HIS A 56 10.032 8.791 -5.243 1.00 0.00 C ATOM 874 CG HIS A 56 10.174 9.747 -6.403 1.00 0.00 C ATOM 875 ND1 HIS A 56 9.670 9.520 -7.636 1.00 0.00 N ATOM 876 CD2 HIS A 56 10.821 10.997 -6.418 1.00 0.00 C ATOM 877 CE1 HIS A 56 9.994 10.590 -8.382 1.00 0.00 C ATOM 878 NE2 HIS A 56 10.690 11.495 -7.669 1.00 0.00 N ATOM 0 H HIS A 56 10.159 6.799 -3.756 1.00 0.00 H new ATOM 0 HA HIS A 56 9.020 7.298 -6.391 1.00 0.00 H new ATOM 0 HB2 HIS A 56 9.152 9.047 -4.653 1.00 0.00 H new ATOM 0 HB3 HIS A 56 10.894 8.875 -4.581 1.00 0.00 H new ATOM 0 HD2 HIS A 56 11.326 11.469 -5.588 1.00 0.00 H new ATOM 0 HE1 HIS A 56 9.729 10.709 -9.422 1.00 0.00 H new ATOM 0 HE2 HIS A 56 11.050 12.387 -8.008 1.00 0.00 H new ATOM 886 N GLU A 57 12.268 7.602 -6.224 1.00 0.00 N ATOM 887 CA GLU A 57 13.511 7.333 -6.950 1.00 0.00 C ATOM 888 C GLU A 57 14.654 6.972 -5.980 1.00 0.00 C ATOM 889 O GLU A 57 15.817 6.887 -6.356 1.00 0.00 O ATOM 890 CB GLU A 57 13.888 8.582 -7.727 1.00 0.00 C ATOM 891 CG GLU A 57 12.724 9.096 -8.573 1.00 0.00 C ATOM 892 CD GLU A 57 13.020 8.873 -10.057 1.00 0.00 C ATOM 893 OE1 GLU A 57 13.478 7.787 -10.408 1.00 0.00 O ATOM 894 OE2 GLU A 57 12.790 9.789 -10.845 1.00 0.00 O ATOM 0 H GLU A 57 12.344 8.253 -5.442 1.00 0.00 H new ATOM 0 HA GLU A 57 13.357 6.488 -7.621 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.204 9.360 -7.033 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.739 8.366 -8.373 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.805 8.580 -8.295 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.564 10.157 -8.381 1.00 0.00 H new ATOM 901 N GLY A 58 14.237 6.773 -4.722 1.00 0.00 N ATOM 902 CA GLY A 58 15.204 6.442 -3.683 1.00 0.00 C ATOM 903 C GLY A 58 14.800 7.054 -2.330 1.00 0.00 C ATOM 904 O GLY A 58 15.623 7.313 -1.461 1.00 0.00 O ATOM 0 H GLY A 58 13.267 6.834 -4.412 1.00 0.00 H new ATOM 0 HA2 GLY A 58 15.281 5.359 -3.586 1.00 0.00 H new ATOM 0 HA3 GLY A 58 16.190 6.808 -3.970 1.00 0.00 H new ATOM 908 N LYS A 59 13.474 7.245 -2.226 1.00 0.00 N ATOM 909 CA LYS A 59 12.912 7.802 -1.030 1.00 0.00 C ATOM 910 C LYS A 59 11.592 7.086 -0.822 1.00 0.00 C ATOM 911 O LYS A 59 10.579 7.393 -1.442 1.00 0.00 O ATOM 912 CB LYS A 59 12.684 9.300 -1.193 1.00 0.00 C ATOM 913 CG LYS A 59 13.756 9.952 -2.071 1.00 0.00 C ATOM 914 CD LYS A 59 15.132 9.916 -1.407 1.00 0.00 C ATOM 915 CE LYS A 59 15.680 11.324 -1.170 1.00 0.00 C ATOM 916 NZ LYS A 59 15.980 12.020 -2.416 1.00 0.00 N ATOM 0 H LYS A 59 12.798 7.019 -2.955 1.00 0.00 H new ATOM 0 HA LYS A 59 13.579 7.672 -0.177 1.00 0.00 H new ATOM 0 HB2 LYS A 59 11.702 9.471 -1.633 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.681 9.775 -0.212 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.802 9.438 -3.031 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.478 10.986 -2.276 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.064 9.387 -0.457 1.00 0.00 H new ATOM 0 HD3 LYS A 59 15.825 9.356 -2.035 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.953 11.903 -0.599 1.00 0.00 H new ATOM 0 HE3 LYS A 59 16.584 11.262 -0.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 16.532 12.877 -2.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 16.531 11.395 -3.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 15.092 12.285 -2.888 1.00 0.00 H new ATOM 930 N VAL A 60 11.680 6.104 0.071 1.00 0.00 N ATOM 931 CA VAL A 60 10.496 5.320 0.328 1.00 0.00 C ATOM 932 C VAL A 60 9.453 6.192 0.999 1.00 0.00 C ATOM 933 O VAL A 60 9.742 7.056 1.818 1.00 0.00 O ATOM 934 CB VAL A 60 10.829 4.133 1.221 1.00 0.00 C ATOM 935 CG1 VAL A 60 10.822 4.563 2.681 1.00 0.00 C ATOM 936 CG2 VAL A 60 9.815 3.010 1.013 1.00 0.00 C ATOM 0 H VAL A 60 12.514 5.848 0.599 1.00 0.00 H new ATOM 0 HA VAL A 60 10.106 4.944 -0.618 1.00 0.00 H new ATOM 0 HB VAL A 60 11.821 3.767 0.957 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.061 3.708 3.313 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.565 5.346 2.833 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.835 4.943 2.944 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.067 2.168 1.658 1.00 0.00 H new ATOM 0 HG22 VAL A 60 8.817 3.371 1.260 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.837 2.688 -0.028 1.00 0.00 H new ATOM 946 N LEU A 61 8.226 5.872 0.602 1.00 0.00 N ATOM 947 CA LEU A 61 7.107 6.610 1.124 1.00 0.00 C ATOM 948 C LEU A 61 6.098 5.682 1.745 1.00 0.00 C ATOM 949 O LEU A 61 6.098 4.472 1.554 1.00 0.00 O ATOM 950 CB LEU A 61 6.459 7.405 0.001 1.00 0.00 C ATOM 951 CG LEU A 61 7.515 8.183 -0.759 1.00 0.00 C ATOM 952 CD1 LEU A 61 6.886 9.099 -1.808 1.00 0.00 C ATOM 953 CD2 LEU A 61 8.342 8.978 0.239 1.00 0.00 C ATOM 0 H LEU A 61 7.995 5.130 -0.058 1.00 0.00 H new ATOM 0 HA LEU A 61 7.464 7.291 1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.934 6.732 -0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.716 8.089 0.410 1.00 0.00 H new ATOM 0 HG LEU A 61 8.159 7.488 -1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.671 9.642 -2.334 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.318 8.500 -2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.219 9.809 -1.318 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.107 9.544 -0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.694 9.665 0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.818 8.295 0.943 1.00 0.00 H new ATOM 965 N HIS A 62 5.237 6.359 2.500 1.00 0.00 N ATOM 966 CA HIS A 62 4.187 5.621 3.179 1.00 0.00 C ATOM 967 C HIS A 62 2.956 6.510 3.337 1.00 0.00 C ATOM 968 O HIS A 62 2.840 7.242 4.293 1.00 0.00 O ATOM 969 CB HIS A 62 4.665 5.180 4.567 1.00 0.00 C ATOM 970 CG HIS A 62 5.983 4.435 4.478 1.00 0.00 C ATOM 971 ND1 HIS A 62 6.101 3.092 4.573 1.00 0.00 N ATOM 972 CD2 HIS A 62 7.272 4.977 4.326 1.00 0.00 C ATOM 973 CE1 HIS A 62 7.416 2.818 4.485 1.00 0.00 C ATOM 974 NE2 HIS A 62 8.142 3.940 4.336 1.00 0.00 N ATOM 0 H HIS A 62 5.244 7.368 2.651 1.00 0.00 H new ATOM 0 HA HIS A 62 3.937 4.741 2.586 1.00 0.00 H new ATOM 0 HB2 HIS A 62 4.779 6.053 5.210 1.00 0.00 H new ATOM 0 HB3 HIS A 62 3.912 4.541 5.028 1.00 0.00 H new ATOM 0 HD1 HIS A 62 5.343 2.419 4.689 1.00 0.00 H new ATOM 0 HD2 HIS A 62 7.521 6.023 4.221 1.00 0.00 H new ATOM 0 HE1 HIS A 62 7.835 1.823 4.529 1.00 0.00 H new ATOM 982 N TYR A 63 2.056 6.411 2.345 1.00 0.00 N ATOM 983 CA TYR A 63 0.841 7.202 2.441 1.00 0.00 C ATOM 984 C TYR A 63 -0.126 6.499 3.384 1.00 0.00 C ATOM 985 O TYR A 63 -0.210 5.284 3.414 1.00 0.00 O ATOM 986 CB TYR A 63 0.203 7.327 1.059 1.00 0.00 C ATOM 987 CG TYR A 63 1.046 8.153 0.146 1.00 0.00 C ATOM 988 CD1 TYR A 63 1.043 9.564 0.244 1.00 0.00 C ATOM 989 CD2 TYR A 63 1.877 7.526 -0.810 1.00 0.00 C ATOM 990 CE1 TYR A 63 1.866 10.330 -0.598 1.00 0.00 C ATOM 991 CE2 TYR A 63 2.700 8.295 -1.653 1.00 0.00 C ATOM 992 CZ TYR A 63 2.696 9.700 -1.550 1.00 0.00 C ATOM 993 OH TYR A 63 3.501 10.457 -2.377 1.00 0.00 O ATOM 0 H TYR A 63 2.145 5.824 1.516 1.00 0.00 H new ATOM 0 HA TYR A 63 1.074 8.197 2.820 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.063 6.335 0.630 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.785 7.777 1.152 1.00 0.00 H new ATOM 0 HD1 TYR A 63 0.407 10.053 0.967 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.880 6.449 -0.894 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.864 11.407 -0.516 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.335 7.808 -2.379 1.00 0.00 H new ATOM 0 HH TYR A 63 4.275 10.783 -1.872 1.00 0.00 H new ATOM 1003 N ARG A 64 -0.846 7.328 4.155 1.00 0.00 N ATOM 1004 CA ARG A 64 -1.808 6.728 5.061 1.00 0.00 C ATOM 1005 C ARG A 64 -3.028 6.319 4.250 1.00 0.00 C ATOM 1006 O ARG A 64 -3.186 6.697 3.097 1.00 0.00 O ATOM 1007 CB ARG A 64 -2.194 7.706 6.161 1.00 0.00 C ATOM 1008 CG ARG A 64 -3.073 7.046 7.223 1.00 0.00 C ATOM 1009 CD ARG A 64 -2.615 7.420 8.631 1.00 0.00 C ATOM 1010 NE ARG A 64 -3.717 7.978 9.391 1.00 0.00 N ATOM 1011 CZ ARG A 64 -4.091 9.247 9.148 1.00 0.00 C ATOM 1012 NH1 ARG A 64 -3.462 9.962 8.219 1.00 0.00 N ATOM 1013 NH2 ARG A 64 -5.091 9.788 9.837 1.00 0.00 N ATOM 0 H ARG A 64 -0.783 8.346 4.167 1.00 0.00 H new ATOM 0 HA ARG A 64 -1.372 5.854 5.544 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.292 8.101 6.629 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -2.724 8.553 5.725 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -4.110 7.352 7.082 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -3.041 5.963 7.103 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.224 6.538 9.139 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -1.801 8.143 8.575 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.199 7.419 10.096 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.695 9.548 7.690 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -3.747 10.924 8.036 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.574 9.241 10.549 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -5.375 10.750 9.653 1.00 0.00 H new ATOM 1027 N ILE A 65 -3.876 5.539 4.931 1.00 0.00 N ATOM 1028 CA ILE A 65 -5.072 5.067 4.247 1.00 0.00 C ATOM 1029 C ILE A 65 -6.091 4.514 5.244 1.00 0.00 C ATOM 1030 O ILE A 65 -5.836 3.561 5.971 1.00 0.00 O ATOM 1031 CB ILE A 65 -4.680 3.975 3.247 1.00 0.00 C ATOM 1032 CG1 ILE A 65 -4.262 4.590 1.916 1.00 0.00 C ATOM 1033 CG2 ILE A 65 -5.840 3.001 3.024 1.00 0.00 C ATOM 1034 CD1 ILE A 65 -2.757 4.463 1.684 1.00 0.00 C ATOM 0 H ILE A 65 -3.764 5.238 5.899 1.00 0.00 H new ATOM 0 HA ILE A 65 -5.531 5.906 3.723 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.836 3.427 3.665 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.798 4.099 1.104 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.546 5.642 1.896 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.539 2.234 2.310 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.108 2.531 3.970 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.700 3.544 2.632 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.497 4.913 0.726 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.221 4.976 2.483 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.477 3.409 1.678 1.00 0.00 H new ATOM 1046 N ASP A 66 -7.261 5.178 5.218 1.00 0.00 N ATOM 1047 CA ASP A 66 -8.338 4.729 6.074 1.00 0.00 C ATOM 1048 C ASP A 66 -9.667 5.079 5.426 1.00 0.00 C ATOM 1049 O ASP A 66 -9.740 5.729 4.393 1.00 0.00 O ATOM 1050 CB ASP A 66 -8.245 5.385 7.436 1.00 0.00 C ATOM 1051 CG ASP A 66 -9.149 4.652 8.430 1.00 0.00 C ATOM 1052 OD1 ASP A 66 -8.767 3.577 8.888 1.00 0.00 O ATOM 1053 OD2 ASP A 66 -10.224 5.166 8.734 1.00 0.00 O ATOM 0 H ASP A 66 -7.467 5.990 4.636 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.261 3.650 6.206 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.214 5.368 7.788 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.540 6.432 7.366 1.00 0.00 H new ATOM 1058 N LYS A 67 -10.703 4.627 6.132 1.00 0.00 N ATOM 1059 CA LYS A 67 -12.043 4.873 5.648 1.00 0.00 C ATOM 1060 C LYS A 67 -12.697 5.969 6.487 1.00 0.00 C ATOM 1061 O LYS A 67 -12.036 6.809 7.085 1.00 0.00 O ATOM 1062 CB LYS A 67 -12.840 3.580 5.751 1.00 0.00 C ATOM 1063 CG LYS A 67 -12.883 3.070 7.187 1.00 0.00 C ATOM 1064 CD LYS A 67 -11.858 1.961 7.421 1.00 0.00 C ATOM 1065 CE LYS A 67 -12.330 0.982 8.495 1.00 0.00 C ATOM 1066 NZ LYS A 67 -11.316 -0.014 8.823 1.00 0.00 N ATOM 0 H LYS A 67 -10.638 4.108 7.008 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.016 5.202 4.609 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.855 3.746 5.391 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.394 2.823 5.107 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -12.690 3.895 7.873 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.882 2.696 7.411 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.682 1.424 6.489 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.906 2.400 7.720 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.597 1.535 9.395 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.233 0.478 8.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.683 -0.655 9.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.079 -0.562 7.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.462 0.463 9.176 1.00 0.00 H new ATOM 1080 N ASP A 68 -14.039 5.895 6.488 1.00 0.00 N ATOM 1081 CA ASP A 68 -14.792 6.868 7.255 1.00 0.00 C ATOM 1082 C ASP A 68 -15.751 6.121 8.176 1.00 0.00 C ATOM 1083 O ASP A 68 -16.942 6.398 8.238 1.00 0.00 O ATOM 1084 CB ASP A 68 -15.562 7.775 6.301 1.00 0.00 C ATOM 1085 CG ASP A 68 -14.762 9.050 6.034 1.00 0.00 C ATOM 1086 OD1 ASP A 68 -14.813 9.960 6.860 1.00 0.00 O ATOM 1087 OD2 ASP A 68 -14.097 9.121 5.001 1.00 0.00 O ATOM 0 H ASP A 68 -14.593 5.201 5.987 1.00 0.00 H new ATOM 0 HA ASP A 68 -14.123 7.485 7.855 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.753 7.253 5.364 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -16.532 8.027 6.729 1.00 0.00 H new ATOM 1092 N LYS A 69 -15.140 5.153 8.882 1.00 0.00 N ATOM 1093 CA LYS A 69 -15.937 4.333 9.783 1.00 0.00 C ATOM 1094 C LYS A 69 -17.175 3.803 9.050 1.00 0.00 C ATOM 1095 O LYS A 69 -18.212 3.521 9.638 1.00 0.00 O ATOM 1096 CB LYS A 69 -16.336 5.151 11.009 1.00 0.00 C ATOM 1097 CG LYS A 69 -15.189 5.257 12.017 1.00 0.00 C ATOM 1098 CD LYS A 69 -13.892 5.725 11.355 1.00 0.00 C ATOM 1099 CE LYS A 69 -12.783 5.943 12.384 1.00 0.00 C ATOM 1100 NZ LYS A 69 -13.097 7.013 13.324 1.00 0.00 N ATOM 0 H LYS A 69 -14.145 4.933 8.845 1.00 0.00 H new ATOM 0 HA LYS A 69 -15.346 3.480 10.116 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -16.639 6.150 10.697 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -17.200 4.691 11.488 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -15.464 5.953 12.809 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -15.028 4.287 12.487 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -13.569 4.985 10.622 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -14.074 6.653 10.813 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.615 5.017 12.935 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.853 6.179 11.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.233 7.295 13.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -13.476 7.831 12.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.805 6.678 14.008 1.00 0.00 H new ATOM 1114 N THR A 70 -16.978 3.695 7.727 1.00 0.00 N ATOM 1115 CA THR A 70 -18.020 3.193 6.876 1.00 0.00 C ATOM 1116 C THR A 70 -17.580 1.842 6.302 1.00 0.00 C ATOM 1117 O THR A 70 -18.386 0.976 5.985 1.00 0.00 O ATOM 1118 CB THR A 70 -18.201 4.197 5.751 1.00 0.00 C ATOM 1119 OG1 THR A 70 -19.186 5.135 6.104 1.00 0.00 O ATOM 1120 CG2 THR A 70 -18.568 3.519 4.443 1.00 0.00 C ATOM 0 H THR A 70 -16.114 3.949 7.247 1.00 0.00 H new ATOM 0 HA THR A 70 -18.954 3.058 7.422 1.00 0.00 H new ATOM 0 HB THR A 70 -17.249 4.706 5.600 1.00 0.00 H new ATOM 0 HG1 THR A 70 -19.298 5.781 5.376 1.00 0.00 H new ATOM 0 HG21 THR A 70 -18.688 4.272 3.664 1.00 0.00 H new ATOM 0 HG22 THR A 70 -17.777 2.826 4.158 1.00 0.00 H new ATOM 0 HG23 THR A 70 -19.503 2.972 4.566 1.00 0.00 H new ATOM 1128 N GLY A 71 -16.240 1.739 6.195 1.00 0.00 N ATOM 1129 CA GLY A 71 -15.676 0.532 5.647 1.00 0.00 C ATOM 1130 C GLY A 71 -14.907 0.794 4.344 1.00 0.00 C ATOM 1131 O GLY A 71 -14.030 0.033 3.950 1.00 0.00 O ATOM 0 H GLY A 71 -15.569 2.455 6.473 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -15.006 0.081 6.379 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -16.473 -0.187 5.459 1.00 0.00 H new ATOM 1135 N LYS A 72 -15.294 1.916 3.710 1.00 0.00 N ATOM 1136 CA LYS A 72 -14.642 2.268 2.458 1.00 0.00 C ATOM 1137 C LYS A 72 -13.273 2.866 2.760 1.00 0.00 C ATOM 1138 O LYS A 72 -13.153 3.935 3.341 1.00 0.00 O ATOM 1139 CB LYS A 72 -15.502 3.267 1.688 1.00 0.00 C ATOM 1140 CG LYS A 72 -16.879 2.689 1.356 1.00 0.00 C ATOM 1141 CD LYS A 72 -17.788 3.740 0.716 1.00 0.00 C ATOM 1142 CE LYS A 72 -19.168 3.167 0.389 1.00 0.00 C ATOM 1143 NZ LYS A 72 -19.113 2.132 -0.636 1.00 0.00 N ATOM 0 H LYS A 72 -16.018 2.559 4.031 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.516 1.376 1.844 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.621 4.176 2.278 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.994 3.550 0.766 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.766 1.843 0.678 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -17.344 2.309 2.265 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -17.896 4.588 1.392 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -17.324 4.116 -0.196 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -19.610 2.753 1.295 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -19.822 3.972 0.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -20.079 1.884 -0.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -18.580 2.484 -1.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -18.641 1.288 -0.253 1.00 0.00 H new ATOM 1157 N LEU A 73 -12.255 2.125 2.290 1.00 0.00 N ATOM 1158 CA LEU A 73 -10.903 2.580 2.537 1.00 0.00 C ATOM 1159 C LEU A 73 -10.578 3.686 1.545 1.00 0.00 C ATOM 1160 O LEU A 73 -10.944 3.632 0.380 1.00 0.00 O ATOM 1161 CB LEU A 73 -9.939 1.410 2.375 1.00 0.00 C ATOM 1162 CG LEU A 73 -10.098 0.387 3.500 1.00 0.00 C ATOM 1163 CD1 LEU A 73 -9.286 -0.871 3.197 1.00 0.00 C ATOM 1164 CD2 LEU A 73 -9.659 0.991 4.835 1.00 0.00 C ATOM 0 H LEU A 73 -12.345 1.255 1.765 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.807 2.967 3.551 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -10.113 0.925 1.415 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.914 1.782 2.363 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.151 0.113 3.570 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.411 -1.589 4.008 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.635 -1.314 2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.232 -0.610 3.102 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.778 0.251 5.626 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.613 1.290 4.772 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.273 1.863 5.059 1.00 0.00 H new ATOM 1176 N SER A 74 -9.867 4.685 2.082 1.00 0.00 N ATOM 1177 CA SER A 74 -9.526 5.809 1.235 1.00 0.00 C ATOM 1178 C SER A 74 -8.171 6.383 1.636 1.00 0.00 C ATOM 1179 O SER A 74 -7.336 5.725 2.246 1.00 0.00 O ATOM 1180 CB SER A 74 -10.615 6.872 1.364 1.00 0.00 C ATOM 1181 OG SER A 74 -10.734 7.299 2.697 1.00 0.00 O ATOM 0 H SER A 74 -9.537 4.732 3.046 1.00 0.00 H new ATOM 0 HA SER A 74 -9.459 5.480 0.198 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.379 7.722 0.724 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.567 6.469 1.019 1.00 0.00 H new ATOM 0 HG SER A 74 -10.054 6.855 3.245 1.00 0.00 H new ATOM 1187 N ILE A 75 -8.025 7.659 1.247 1.00 0.00 N ATOM 1188 CA ILE A 75 -6.787 8.352 1.542 1.00 0.00 C ATOM 1189 C ILE A 75 -7.104 9.819 1.833 1.00 0.00 C ATOM 1190 O ILE A 75 -7.953 10.428 1.194 1.00 0.00 O ATOM 1191 CB ILE A 75 -5.872 8.259 0.324 1.00 0.00 C ATOM 1192 CG1 ILE A 75 -5.917 6.858 -0.291 1.00 0.00 C ATOM 1193 CG2 ILE A 75 -4.435 8.637 0.678 1.00 0.00 C ATOM 1194 CD1 ILE A 75 -4.762 6.641 -1.275 1.00 0.00 C ATOM 0 H ILE A 75 -8.726 8.205 0.747 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.295 7.904 2.406 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.239 8.972 -0.414 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.868 6.110 0.500 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.867 6.716 -0.806 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.809 8.560 -0.211 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.410 9.660 1.053 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.059 7.960 1.446 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.824 5.636 -1.693 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.827 7.374 -2.080 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.812 6.759 -0.753 1.00 0.00 H new ATOM 1206 N PRO A 76 -6.377 10.361 2.834 1.00 0.00 N ATOM 1207 CA PRO A 76 -6.529 11.748 3.223 1.00 0.00 C ATOM 1208 C PRO A 76 -6.378 12.674 2.018 1.00 0.00 C ATOM 1209 O PRO A 76 -7.292 13.388 1.622 1.00 0.00 O ATOM 1210 CB PRO A 76 -5.415 12.012 4.240 1.00 0.00 C ATOM 1211 CG PRO A 76 -4.727 10.665 4.517 1.00 0.00 C ATOM 1212 CD PRO A 76 -5.379 9.632 3.594 1.00 0.00 C ATOM 0 HA PRO A 76 -7.518 11.938 3.641 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.700 12.736 3.849 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.824 12.432 5.159 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.656 10.732 4.325 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.846 10.379 5.562 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.641 9.175 2.935 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.836 8.826 4.169 1.00 0.00 H new ATOM 1220 N GLU A 77 -5.157 12.599 1.472 1.00 0.00 N ATOM 1221 CA GLU A 77 -4.858 13.407 0.300 1.00 0.00 C ATOM 1222 C GLU A 77 -5.102 12.590 -0.981 1.00 0.00 C ATOM 1223 O GLU A 77 -5.483 13.120 -2.017 1.00 0.00 O ATOM 1224 CB GLU A 77 -3.405 13.870 0.368 1.00 0.00 C ATOM 1225 CG GLU A 77 -3.136 14.697 1.626 1.00 0.00 C ATOM 1226 CD GLU A 77 -3.057 16.181 1.264 1.00 0.00 C ATOM 1227 OE1 GLU A 77 -3.792 16.608 0.375 1.00 0.00 O ATOM 1228 OE2 GLU A 77 -2.259 16.892 1.873 1.00 0.00 O ATOM 0 H GLU A 77 -4.395 12.012 1.810 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.512 14.279 0.280 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.745 13.003 0.354 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.170 14.464 -0.515 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.928 14.533 2.356 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.203 14.376 2.090 1.00 0.00 H new ATOM 1235 N GLY A 78 -4.856 11.270 -0.834 1.00 0.00 N ATOM 1236 CA GLY A 78 -5.044 10.386 -1.974 1.00 0.00 C ATOM 1237 C GLY A 78 -6.468 10.494 -2.538 1.00 0.00 C ATOM 1238 O GLY A 78 -6.923 11.555 -2.949 1.00 0.00 O ATOM 0 H GLY A 78 -4.542 10.821 0.026 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.323 10.635 -2.752 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.847 9.357 -1.675 1.00 0.00 H new ATOM 1242 N LYS A 79 -7.130 9.319 -2.527 1.00 0.00 N ATOM 1243 CA LYS A 79 -8.491 9.274 -3.033 1.00 0.00 C ATOM 1244 C LYS A 79 -9.385 8.521 -2.044 1.00 0.00 C ATOM 1245 O LYS A 79 -9.279 8.656 -0.832 1.00 0.00 O ATOM 1246 CB LYS A 79 -8.497 8.573 -4.391 1.00 0.00 C ATOM 1247 CG LYS A 79 -9.683 9.007 -5.250 1.00 0.00 C ATOM 1248 CD LYS A 79 -9.258 10.027 -6.306 1.00 0.00 C ATOM 1249 CE LYS A 79 -10.372 10.280 -7.322 1.00 0.00 C ATOM 1250 NZ LYS A 79 -10.703 9.086 -8.092 1.00 0.00 N ATOM 0 H LYS A 79 -6.755 8.433 -2.187 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.876 10.287 -3.149 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.568 8.793 -4.917 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.532 7.494 -4.242 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.120 8.136 -5.738 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.457 9.438 -4.615 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -8.988 10.964 -5.820 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -8.368 9.668 -6.823 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.262 10.632 -6.801 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.066 11.075 -8.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.222 9.359 -8.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -9.828 8.592 -8.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -11.295 8.454 -7.516 1.00 0.00 H new ATOM 1264 N LYS A 80 -10.264 7.725 -2.669 1.00 0.00 N ATOM 1265 CA LYS A 80 -11.197 6.923 -1.886 1.00 0.00 C ATOM 1266 C LYS A 80 -11.548 5.660 -2.676 1.00 0.00 C ATOM 1267 O LYS A 80 -11.683 5.683 -3.893 1.00 0.00 O ATOM 1268 CB LYS A 80 -12.454 7.737 -1.584 1.00 0.00 C ATOM 1269 CG LYS A 80 -12.840 8.636 -2.760 1.00 0.00 C ATOM 1270 CD LYS A 80 -12.337 10.066 -2.563 1.00 0.00 C ATOM 1271 CE LYS A 80 -13.076 10.770 -1.423 1.00 0.00 C ATOM 1272 NZ LYS A 80 -12.507 12.076 -1.115 1.00 0.00 N ATOM 0 H LYS A 80 -10.344 7.624 -3.681 1.00 0.00 H new ATOM 0 HA LYS A 80 -10.740 6.638 -0.938 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -13.279 7.062 -1.355 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -12.288 8.349 -0.697 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -12.426 8.228 -3.682 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -13.924 8.643 -2.873 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -11.268 10.050 -2.350 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.470 10.630 -3.486 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -14.126 10.888 -1.692 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.044 10.144 -0.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.041 12.513 -0.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -11.513 11.963 -0.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -12.560 12.685 -1.956 1.00 0.00 H new ATOM 1286 N PHE A 81 -11.686 4.557 -1.909 1.00 0.00 N ATOM 1287 CA PHE A 81 -11.994 3.309 -2.558 1.00 0.00 C ATOM 1288 C PHE A 81 -12.725 2.356 -1.612 1.00 0.00 C ATOM 1289 O PHE A 81 -12.856 2.583 -0.410 1.00 0.00 O ATOM 1290 CB PHE A 81 -10.690 2.679 -2.984 1.00 0.00 C ATOM 1291 CG PHE A 81 -10.065 3.424 -4.124 1.00 0.00 C ATOM 1292 CD1 PHE A 81 -10.468 3.161 -5.456 1.00 0.00 C ATOM 1293 CD2 PHE A 81 -9.056 4.388 -3.882 1.00 0.00 C ATOM 1294 CE1 PHE A 81 -9.868 3.853 -6.533 1.00 0.00 C ATOM 1295 CE2 PHE A 81 -8.456 5.079 -4.960 1.00 0.00 C ATOM 1296 CZ PHE A 81 -8.863 4.812 -6.285 1.00 0.00 C ATOM 0 H PHE A 81 -11.591 4.522 -0.894 1.00 0.00 H new ATOM 0 HA PHE A 81 -12.644 3.498 -3.412 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -10.001 2.660 -2.139 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -10.864 1.644 -3.277 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -11.237 2.428 -5.650 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.743 4.596 -2.869 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -10.179 3.647 -7.547 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -7.686 5.812 -4.769 1.00 0.00 H new ATOM 0 HZ PHE A 81 -8.406 5.341 -7.108 1.00 0.00 H new ATOM 1306 N ASP A 82 -13.160 1.253 -2.249 1.00 0.00 N ATOM 1307 CA ASP A 82 -13.870 0.239 -1.494 1.00 0.00 C ATOM 1308 C ASP A 82 -12.895 -0.465 -0.552 1.00 0.00 C ATOM 1309 O ASP A 82 -13.122 -0.567 0.647 1.00 0.00 O ATOM 1310 CB ASP A 82 -14.505 -0.761 -2.456 1.00 0.00 C ATOM 1311 CG ASP A 82 -15.266 -1.828 -1.667 1.00 0.00 C ATOM 1312 OD1 ASP A 82 -16.117 -1.464 -0.857 1.00 0.00 O ATOM 1313 OD2 ASP A 82 -14.998 -3.011 -1.870 1.00 0.00 O ATOM 0 H ASP A 82 -13.034 1.057 -3.242 1.00 0.00 H new ATOM 0 HA ASP A 82 -14.659 0.701 -0.901 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -15.183 -0.245 -3.136 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -13.735 -1.229 -3.069 1.00 0.00 H new ATOM 1318 N THR A 83 -11.796 -0.943 -1.173 1.00 0.00 N ATOM 1319 CA THR A 83 -10.803 -1.622 -0.376 1.00 0.00 C ATOM 1320 C THR A 83 -9.430 -1.337 -0.970 1.00 0.00 C ATOM 1321 O THR A 83 -9.273 -0.535 -1.882 1.00 0.00 O ATOM 1322 CB THR A 83 -11.094 -3.121 -0.359 1.00 0.00 C ATOM 1323 OG1 THR A 83 -11.050 -3.620 -1.673 1.00 0.00 O ATOM 1324 CG2 THR A 83 -12.459 -3.426 0.260 1.00 0.00 C ATOM 0 H THR A 83 -11.596 -0.869 -2.170 1.00 0.00 H new ATOM 0 HA THR A 83 -10.828 -1.264 0.653 1.00 0.00 H new ATOM 0 HB THR A 83 -10.334 -3.605 0.254 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.235 -4.582 -1.664 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.629 -4.503 0.254 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.483 -3.061 1.287 1.00 0.00 H new ATOM 0 HG23 THR A 83 -13.240 -2.932 -0.319 1.00 0.00 H new ATOM 1332 N LEU A 84 -8.454 -2.046 -0.395 1.00 0.00 N ATOM 1333 CA LEU A 84 -7.108 -1.877 -0.847 1.00 0.00 C ATOM 1334 C LEU A 84 -6.879 -2.485 -2.227 1.00 0.00 C ATOM 1335 O LEU A 84 -5.815 -2.364 -2.813 1.00 0.00 O ATOM 1336 CB LEU A 84 -6.256 -2.604 0.156 1.00 0.00 C ATOM 1337 CG LEU A 84 -5.799 -1.722 1.309 1.00 0.00 C ATOM 1338 CD1 LEU A 84 -4.733 -2.455 2.116 1.00 0.00 C ATOM 1339 CD2 LEU A 84 -5.264 -0.388 0.791 1.00 0.00 C ATOM 0 H LEU A 84 -8.583 -2.719 0.361 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.870 -0.817 -0.930 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.817 -3.449 0.554 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.381 -3.012 -0.349 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.651 -1.509 1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.405 -1.825 2.942 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.149 -3.382 2.510 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.883 -2.683 1.473 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.943 0.227 1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.417 -0.568 0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.050 0.131 0.242 1.00 0.00 H new ATOM 1351 N TRP A 85 -7.932 -3.140 -2.690 1.00 0.00 N ATOM 1352 CA TRP A 85 -7.848 -3.779 -3.991 1.00 0.00 C ATOM 1353 C TRP A 85 -8.174 -2.784 -5.078 1.00 0.00 C ATOM 1354 O TRP A 85 -7.688 -2.858 -6.200 1.00 0.00 O ATOM 1355 CB TRP A 85 -8.862 -4.910 -4.041 1.00 0.00 C ATOM 1356 CG TRP A 85 -8.158 -6.221 -4.284 1.00 0.00 C ATOM 1357 CD1 TRP A 85 -7.267 -6.476 -5.324 1.00 0.00 C ATOM 1358 CD2 TRP A 85 -8.281 -7.421 -3.521 1.00 0.00 C ATOM 1359 NE1 TRP A 85 -6.835 -7.770 -5.241 1.00 0.00 N ATOM 1360 CE2 TRP A 85 -7.436 -8.393 -4.140 1.00 0.00 C ATOM 1361 CE3 TRP A 85 -9.018 -7.745 -2.390 1.00 0.00 C ATOM 1362 CZ2 TRP A 85 -7.342 -9.676 -3.620 1.00 0.00 C ATOM 1363 CZ3 TRP A 85 -8.930 -9.053 -1.851 1.00 0.00 C ATOM 1364 CH2 TRP A 85 -8.091 -10.019 -2.466 1.00 0.00 C ATOM 0 H TRP A 85 -8.823 -3.241 -2.205 1.00 0.00 H new ATOM 0 HA TRP A 85 -6.838 -4.160 -4.144 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -9.417 -4.954 -3.104 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -9.588 -4.725 -4.833 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -6.965 -5.763 -6.077 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -6.177 -8.213 -5.882 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -9.653 -7.006 -1.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -6.703 -10.408 -4.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -9.501 -9.315 -0.973 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -8.023 -11.015 -2.055 1.00 0.00 H new ATOM 1375 N GLN A 86 -9.026 -1.851 -4.665 1.00 0.00 N ATOM 1376 CA GLN A 86 -9.436 -0.851 -5.621 1.00 0.00 C ATOM 1377 C GLN A 86 -8.490 0.321 -5.562 1.00 0.00 C ATOM 1378 O GLN A 86 -8.094 0.873 -6.569 1.00 0.00 O ATOM 1379 CB GLN A 86 -10.874 -0.418 -5.344 1.00 0.00 C ATOM 1380 CG GLN A 86 -11.858 -1.571 -5.543 1.00 0.00 C ATOM 1381 CD GLN A 86 -11.814 -2.048 -6.996 1.00 0.00 C ATOM 1382 OE1 GLN A 86 -11.098 -1.510 -7.832 1.00 0.00 O ATOM 1383 NE2 GLN A 86 -12.628 -3.092 -7.231 1.00 0.00 N ATOM 0 H GLN A 86 -9.422 -1.772 -3.729 1.00 0.00 H new ATOM 0 HA GLN A 86 -9.402 -1.270 -6.627 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -10.952 -0.045 -4.323 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -11.140 0.406 -6.006 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -11.608 -2.394 -4.873 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -12.867 -1.248 -5.288 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -13.192 -3.480 -6.474 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -12.682 -3.496 -8.166 1.00 0.00 H new ATOM 1392 N LEU A 87 -8.138 0.661 -4.330 1.00 0.00 N ATOM 1393 CA LEU A 87 -7.226 1.770 -4.202 1.00 0.00 C ATOM 1394 C LEU A 87 -5.857 1.399 -4.763 1.00 0.00 C ATOM 1395 O LEU A 87 -5.103 2.254 -5.200 1.00 0.00 O ATOM 1396 CB LEU A 87 -7.132 2.175 -2.737 1.00 0.00 C ATOM 1397 CG LEU A 87 -6.100 3.271 -2.512 1.00 0.00 C ATOM 1398 CD1 LEU A 87 -6.320 3.919 -1.149 1.00 0.00 C ATOM 1399 CD2 LEU A 87 -4.686 2.697 -2.608 1.00 0.00 C ATOM 0 H LEU A 87 -8.447 0.217 -3.465 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.597 2.619 -4.777 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.107 2.520 -2.393 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.872 1.304 -2.136 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.216 4.030 -3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.578 4.702 -0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.319 4.353 -1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.220 3.166 -0.368 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.959 3.492 -2.445 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.555 1.924 -1.850 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.535 2.265 -3.597 1.00 0.00 H new ATOM 1411 N VAL A 88 -5.583 0.082 -4.744 1.00 0.00 N ATOM 1412 CA VAL A 88 -4.323 -0.347 -5.254 1.00 0.00 C ATOM 1413 C VAL A 88 -4.399 -0.511 -6.753 1.00 0.00 C ATOM 1414 O VAL A 88 -3.523 -0.083 -7.479 1.00 0.00 O ATOM 1415 CB VAL A 88 -3.954 -1.672 -4.641 1.00 0.00 C ATOM 1416 CG1 VAL A 88 -2.863 -2.300 -5.479 1.00 0.00 C ATOM 1417 CG2 VAL A 88 -3.502 -1.491 -3.197 1.00 0.00 C ATOM 0 H VAL A 88 -6.200 -0.651 -4.394 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.572 0.403 -5.006 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.824 -2.329 -4.626 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.582 -3.262 -5.050 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.225 -2.449 -6.496 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.994 -1.643 -5.496 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.240 -2.461 -2.773 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.632 -0.835 -3.168 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.310 -1.047 -2.616 1.00 0.00 H new ATOM 1427 N GLU A 89 -5.475 -1.197 -7.171 1.00 0.00 N ATOM 1428 CA GLU A 89 -5.587 -1.421 -8.596 1.00 0.00 C ATOM 1429 C GLU A 89 -5.723 -0.096 -9.311 1.00 0.00 C ATOM 1430 O GLU A 89 -5.107 0.156 -10.340 1.00 0.00 O ATOM 1431 CB GLU A 89 -6.767 -2.309 -8.888 1.00 0.00 C ATOM 1432 CG GLU A 89 -8.084 -1.667 -8.499 1.00 0.00 C ATOM 1433 CD GLU A 89 -8.786 -1.109 -9.740 1.00 0.00 C ATOM 1434 OE1 GLU A 89 -9.323 -1.899 -10.514 1.00 0.00 O ATOM 1435 OE2 GLU A 89 -8.788 0.108 -9.918 1.00 0.00 O ATOM 0 H GLU A 89 -6.220 -1.575 -6.586 1.00 0.00 H new ATOM 0 HA GLU A 89 -4.687 -1.920 -8.955 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.783 -2.549 -9.951 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.652 -3.250 -8.350 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.724 -2.401 -8.009 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.909 -0.866 -7.780 1.00 0.00 H new ATOM 1442 N HIS A 90 -6.569 0.731 -8.696 1.00 0.00 N ATOM 1443 CA HIS A 90 -6.780 2.031 -9.298 1.00 0.00 C ATOM 1444 C HIS A 90 -5.453 2.711 -9.471 1.00 0.00 C ATOM 1445 O HIS A 90 -5.047 3.103 -10.549 1.00 0.00 O ATOM 1446 CB HIS A 90 -7.670 2.891 -8.417 1.00 0.00 C ATOM 1447 CG HIS A 90 -8.292 3.986 -9.249 1.00 0.00 C ATOM 1448 ND1 HIS A 90 -9.518 3.906 -9.809 1.00 0.00 N ATOM 1449 CD2 HIS A 90 -7.739 5.236 -9.580 1.00 0.00 C ATOM 1450 CE1 HIS A 90 -9.713 5.064 -10.462 1.00 0.00 C ATOM 1451 NE2 HIS A 90 -8.654 5.884 -10.339 1.00 0.00 N ATOM 0 H HIS A 90 -7.085 0.537 -7.838 1.00 0.00 H new ATOM 0 HA HIS A 90 -7.267 1.898 -10.264 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -8.448 2.279 -7.960 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -7.087 3.324 -7.604 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -6.769 5.608 -9.285 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -10.608 5.306 -11.016 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -8.558 6.817 -10.741 1.00 0.00 H new ATOM 1459 N TYR A 91 -4.829 2.831 -8.315 1.00 0.00 N ATOM 1460 CA TYR A 91 -3.532 3.465 -8.291 1.00 0.00 C ATOM 1461 C TYR A 91 -2.560 2.695 -9.183 1.00 0.00 C ATOM 1462 O TYR A 91 -1.578 3.238 -9.673 1.00 0.00 O ATOM 1463 CB TYR A 91 -3.028 3.550 -6.867 1.00 0.00 C ATOM 1464 CG TYR A 91 -3.539 4.805 -6.208 1.00 0.00 C ATOM 1465 CD1 TYR A 91 -4.848 5.275 -6.490 1.00 0.00 C ATOM 1466 CD2 TYR A 91 -2.732 5.529 -5.295 1.00 0.00 C ATOM 1467 CE1 TYR A 91 -5.343 6.442 -5.870 1.00 0.00 C ATOM 1468 CE2 TYR A 91 -3.232 6.701 -4.676 1.00 0.00 C ATOM 1469 CZ TYR A 91 -4.535 7.153 -4.962 1.00 0.00 C ATOM 1470 OH TYR A 91 -5.019 8.294 -4.354 1.00 0.00 O ATOM 0 H TYR A 91 -5.184 2.511 -7.414 1.00 0.00 H new ATOM 0 HA TYR A 91 -3.613 4.480 -8.681 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -3.356 2.676 -6.305 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -1.938 3.544 -6.858 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -5.472 4.734 -7.186 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.733 5.186 -5.071 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -6.341 6.790 -6.092 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -2.612 7.250 -3.983 1.00 0.00 H new ATOM 0 HH TYR A 91 -4.485 9.066 -4.635 1.00 0.00 H new ATOM 1480 N SER A 92 -2.882 1.396 -9.368 1.00 0.00 N ATOM 1481 CA SER A 92 -2.033 0.616 -10.252 1.00 0.00 C ATOM 1482 C SER A 92 -2.056 1.241 -11.653 1.00 0.00 C ATOM 1483 O SER A 92 -1.248 0.934 -12.522 1.00 0.00 O ATOM 1484 CB SER A 92 -2.584 -0.785 -10.310 1.00 0.00 C ATOM 1485 OG SER A 92 -1.556 -1.740 -10.233 1.00 0.00 O ATOM 0 H SER A 92 -3.669 0.905 -8.944 1.00 0.00 H new ATOM 0 HA SER A 92 -1.006 0.601 -9.887 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.286 -0.936 -9.490 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.141 -0.921 -11.237 1.00 0.00 H new ATOM 0 HG SER A 92 -1.942 -2.640 -10.271 1.00 0.00 H new ATOM 1491 N TYR A 93 -3.049 2.134 -11.787 1.00 0.00 N ATOM 1492 CA TYR A 93 -3.240 2.818 -13.042 1.00 0.00 C ATOM 1493 C TYR A 93 -2.426 4.090 -13.032 1.00 0.00 C ATOM 1494 O TYR A 93 -1.582 4.339 -13.880 1.00 0.00 O ATOM 1495 CB TYR A 93 -4.711 3.191 -13.185 1.00 0.00 C ATOM 1496 CG TYR A 93 -5.625 2.007 -13.027 1.00 0.00 C ATOM 1497 CD1 TYR A 93 -5.129 0.685 -13.152 1.00 0.00 C ATOM 1498 CD2 TYR A 93 -6.997 2.207 -12.743 1.00 0.00 C ATOM 1499 CE1 TYR A 93 -5.995 -0.421 -12.998 1.00 0.00 C ATOM 1500 CE2 TYR A 93 -7.864 1.101 -12.589 1.00 0.00 C ATOM 1501 CZ TYR A 93 -7.362 -0.213 -12.717 1.00 0.00 C ATOM 1502 OH TYR A 93 -8.209 -1.293 -12.570 1.00 0.00 O ATOM 0 H TYR A 93 -3.710 2.384 -11.051 1.00 0.00 H new ATOM 0 HA TYR A 93 -2.931 2.174 -13.865 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -4.965 3.944 -12.439 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -4.874 3.643 -14.163 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -4.083 0.522 -13.366 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.384 3.210 -12.643 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.611 -1.426 -13.095 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -8.910 1.261 -12.373 1.00 0.00 H new ATOM 0 HH TYR A 93 -9.018 -1.012 -12.094 1.00 0.00 H new ATOM 1512 N LYS A 94 -2.811 4.887 -12.027 1.00 0.00 N ATOM 1513 CA LYS A 94 -2.183 6.153 -11.821 1.00 0.00 C ATOM 1514 C LYS A 94 -1.791 6.340 -10.373 1.00 0.00 C ATOM 1515 O LYS A 94 -1.968 5.491 -9.512 1.00 0.00 O ATOM 1516 CB LYS A 94 -3.203 7.209 -12.141 1.00 0.00 C ATOM 1517 CG LYS A 94 -4.526 6.923 -11.414 1.00 0.00 C ATOM 1518 CD LYS A 94 -5.613 7.925 -11.799 1.00 0.00 C ATOM 1519 CE LYS A 94 -6.464 7.407 -12.959 1.00 0.00 C ATOM 1520 NZ LYS A 94 -7.509 8.347 -13.344 1.00 0.00 N ATOM 0 H LYS A 94 -3.550 4.661 -11.361 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.291 6.215 -12.444 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -2.825 8.188 -11.847 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -3.373 7.243 -13.217 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.861 5.914 -11.653 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.364 6.959 -10.337 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.251 8.121 -10.937 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.154 8.873 -12.078 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.822 7.210 -13.818 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.919 6.458 -12.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.058 7.951 -14.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.139 8.516 -12.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.076 9.245 -13.640 1.00 0.00 H new ATOM 1534 N ALA A 95 -1.253 7.538 -10.198 1.00 0.00 N ATOM 1535 CA ALA A 95 -0.852 7.949 -8.870 1.00 0.00 C ATOM 1536 C ALA A 95 -2.088 8.469 -8.128 1.00 0.00 C ATOM 1537 O ALA A 95 -2.336 8.145 -6.976 1.00 0.00 O ATOM 1538 CB ALA A 95 0.210 9.040 -8.975 1.00 0.00 C ATOM 0 H ALA A 95 -1.089 8.221 -10.937 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.428 7.108 -8.321 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.513 9.350 -7.975 1.00 0.00 H new ATOM 0 HB2 ALA A 95 1.076 8.654 -9.513 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.199 9.896 -9.512 1.00 0.00 H new ATOM 1544 N ASP A 96 -2.855 9.283 -8.880 1.00 0.00 N ATOM 1545 CA ASP A 96 -4.063 9.855 -8.287 1.00 0.00 C ATOM 1546 C ASP A 96 -3.713 10.941 -7.267 1.00 0.00 C ATOM 1547 O ASP A 96 -4.562 11.674 -6.774 1.00 0.00 O ATOM 1548 CB ASP A 96 -4.864 8.755 -7.623 1.00 0.00 C ATOM 1549 CG ASP A 96 -6.241 8.624 -8.282 1.00 0.00 C ATOM 1550 OD1 ASP A 96 -6.706 9.596 -8.875 1.00 0.00 O ATOM 1551 OD2 ASP A 96 -6.834 7.551 -8.192 1.00 0.00 O ATOM 0 H ASP A 96 -2.668 9.545 -9.848 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.657 10.316 -9.077 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.327 7.810 -7.698 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -4.981 8.972 -6.561 1.00 0.00 H new ATOM 1556 N GLY A 97 -2.414 10.976 -7.001 1.00 0.00 N ATOM 1557 CA GLY A 97 -1.900 11.942 -6.052 1.00 0.00 C ATOM 1558 C GLY A 97 -0.479 11.578 -5.600 1.00 0.00 C ATOM 1559 O GLY A 97 0.319 12.435 -5.241 1.00 0.00 O ATOM 0 H GLY A 97 -1.716 10.361 -7.419 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -1.897 12.934 -6.505 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -2.559 11.989 -5.185 1.00 0.00 H new ATOM 1563 N LEU A 98 -0.220 10.251 -5.641 1.00 0.00 N ATOM 1564 CA LEU A 98 1.090 9.792 -5.236 1.00 0.00 C ATOM 1565 C LEU A 98 2.134 10.658 -5.921 1.00 0.00 C ATOM 1566 O LEU A 98 1.821 11.505 -6.748 1.00 0.00 O ATOM 1567 CB LEU A 98 1.288 8.350 -5.687 1.00 0.00 C ATOM 1568 CG LEU A 98 0.131 7.459 -5.277 1.00 0.00 C ATOM 1569 CD1 LEU A 98 0.219 6.120 -5.988 1.00 0.00 C ATOM 1570 CD2 LEU A 98 0.134 7.273 -3.763 1.00 0.00 C ATOM 0 H LEU A 98 -0.875 9.527 -5.937 1.00 0.00 H new ATOM 0 HA LEU A 98 1.184 9.854 -4.152 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.400 8.322 -6.771 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.213 7.961 -5.261 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.807 7.933 -5.567 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.618 5.491 -5.684 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.182 6.277 -7.066 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.156 5.629 -5.725 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.699 6.632 -3.473 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.072 6.810 -3.455 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.031 8.243 -3.277 1.00 0.00 H new ATOM 1582 N LEU A 99 3.389 10.393 -5.538 1.00 0.00 N ATOM 1583 CA LEU A 99 4.446 11.118 -6.181 1.00 0.00 C ATOM 1584 C LEU A 99 4.483 10.680 -7.654 1.00 0.00 C ATOM 1585 O LEU A 99 4.701 11.471 -8.564 1.00 0.00 O ATOM 1586 CB LEU A 99 5.765 10.809 -5.472 1.00 0.00 C ATOM 1587 CG LEU A 99 6.660 12.042 -5.340 1.00 0.00 C ATOM 1588 CD1 LEU A 99 8.116 11.682 -5.629 1.00 0.00 C ATOM 1589 CD2 LEU A 99 6.194 13.144 -6.285 1.00 0.00 C ATOM 0 H LEU A 99 3.670 9.719 -4.826 1.00 0.00 H new ATOM 0 HA LEU A 99 4.284 12.195 -6.131 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.556 10.408 -4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.298 10.034 -6.023 1.00 0.00 H new ATOM 0 HG LEU A 99 6.589 12.407 -4.315 1.00 0.00 H new ATOM 0 HD11 LEU A 99 8.737 12.572 -5.530 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.451 10.925 -4.920 1.00 0.00 H new ATOM 0 HD13 LEU A 99 8.200 11.292 -6.643 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.842 14.014 -6.178 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.237 12.784 -7.313 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.169 13.423 -6.041 1.00 0.00 H new ATOM 1601 N ARG A 100 4.245 9.356 -7.811 1.00 0.00 N ATOM 1602 CA ARG A 100 4.218 8.785 -9.140 1.00 0.00 C ATOM 1603 C ARG A 100 3.358 7.515 -9.113 1.00 0.00 C ATOM 1604 O ARG A 100 3.182 6.878 -8.081 1.00 0.00 O ATOM 1605 CB ARG A 100 5.638 8.457 -9.568 1.00 0.00 C ATOM 1606 CG ARG A 100 5.750 8.285 -11.083 1.00 0.00 C ATOM 1607 CD ARG A 100 5.767 6.810 -11.485 1.00 0.00 C ATOM 1608 NE ARG A 100 6.026 6.680 -12.907 1.00 0.00 N ATOM 1609 CZ ARG A 100 5.670 5.539 -13.528 1.00 0.00 C ATOM 1610 NH1 ARG A 100 5.094 4.557 -12.838 1.00 0.00 N ATOM 1611 NH2 ARG A 100 5.894 5.393 -14.831 1.00 0.00 N ATOM 0 H ARG A 100 4.076 8.698 -7.050 1.00 0.00 H new ATOM 0 HA ARG A 100 3.791 9.491 -9.852 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.308 9.252 -9.242 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.964 7.542 -9.073 1.00 0.00 H new ATOM 0 HG2 ARG A 100 4.912 8.785 -11.569 1.00 0.00 H new ATOM 0 HG3 ARG A 100 6.660 8.769 -11.438 1.00 0.00 H new ATOM 0 HD2 ARG A 100 6.533 6.280 -10.919 1.00 0.00 H new ATOM 0 HD3 ARG A 100 4.811 6.348 -11.238 1.00 0.00 H new ATOM 0 HE ARG A 100 6.469 7.438 -13.426 1.00 0.00 H new ATOM 0 HH11 ARG A 100 4.922 4.669 -11.839 1.00 0.00 H new ATOM 0 HH12 ARG A 100 4.825 3.693 -13.309 1.00 0.00 H new ATOM 0 HH21 ARG A 100 6.335 6.145 -15.360 1.00 0.00 H new ATOM 0 HH22 ARG A 100 5.624 4.529 -15.301 1.00 0.00 H new ATOM 1625 N VAL A 101 2.840 7.199 -10.310 1.00 0.00 N ATOM 1626 CA VAL A 101 2.011 6.025 -10.442 1.00 0.00 C ATOM 1627 C VAL A 101 2.749 4.791 -9.914 1.00 0.00 C ATOM 1628 O VAL A 101 3.900 4.844 -9.499 1.00 0.00 O ATOM 1629 CB VAL A 101 1.734 5.823 -11.917 1.00 0.00 C ATOM 1630 CG1 VAL A 101 0.582 4.869 -12.108 1.00 0.00 C ATOM 1631 CG2 VAL A 101 1.442 7.157 -12.607 1.00 0.00 C ATOM 0 H VAL A 101 2.983 7.732 -11.168 1.00 0.00 H new ATOM 0 HA VAL A 101 1.090 6.157 -9.875 1.00 0.00 H new ATOM 0 HB VAL A 101 2.625 5.393 -12.375 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.395 4.734 -13.173 1.00 0.00 H new ATOM 0 HG12 VAL A 101 0.828 3.907 -11.658 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.310 5.276 -11.631 1.00 0.00 H new ATOM 0 HG21 VAL A 101 1.246 6.984 -13.665 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.569 7.621 -12.148 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.302 7.818 -12.500 1.00 0.00 H new ATOM 1641 N LEU A 102 1.990 3.686 -9.974 1.00 0.00 N ATOM 1642 CA LEU A 102 2.542 2.402 -9.575 1.00 0.00 C ATOM 1643 C LEU A 102 2.885 1.629 -10.830 1.00 0.00 C ATOM 1644 O LEU A 102 2.426 1.925 -11.926 1.00 0.00 O ATOM 1645 CB LEU A 102 1.517 1.620 -8.778 1.00 0.00 C ATOM 1646 CG LEU A 102 1.347 2.156 -7.361 1.00 0.00 C ATOM 1647 CD1 LEU A 102 1.271 3.675 -7.348 1.00 0.00 C ATOM 1648 CD2 LEU A 102 0.092 1.566 -6.725 1.00 0.00 C ATOM 0 H LEU A 102 1.020 3.663 -10.287 1.00 0.00 H new ATOM 0 HA LEU A 102 3.427 2.555 -8.958 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.557 1.654 -9.294 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.818 0.573 -8.733 1.00 0.00 H new ATOM 0 HG LEU A 102 2.221 1.857 -6.782 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.150 4.024 -6.323 1.00 0.00 H new ATOM 0 HD12 LEU A 102 2.189 4.089 -7.766 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.420 4.002 -7.946 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.020 1.955 -5.713 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.780 1.841 -7.318 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.179 0.480 -6.689 1.00 0.00 H new ATOM 1660 N THR A 103 3.719 0.624 -10.590 1.00 0.00 N ATOM 1661 CA THR A 103 4.135 -0.186 -11.703 1.00 0.00 C ATOM 1662 C THR A 103 4.427 -1.619 -11.255 1.00 0.00 C ATOM 1663 O THR A 103 4.137 -2.583 -11.955 1.00 0.00 O ATOM 1664 CB THR A 103 5.388 0.467 -12.288 1.00 0.00 C ATOM 1665 OG1 THR A 103 5.103 0.976 -13.567 1.00 0.00 O ATOM 1666 CG2 THR A 103 6.562 -0.499 -12.366 1.00 0.00 C ATOM 0 H THR A 103 4.099 0.367 -9.679 1.00 0.00 H new ATOM 0 HA THR A 103 3.346 -0.244 -12.452 1.00 0.00 H new ATOM 0 HB THR A 103 5.678 1.277 -11.618 1.00 0.00 H new ATOM 0 HG1 THR A 103 5.907 1.395 -13.939 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.427 0.013 -12.788 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.805 -0.858 -11.366 1.00 0.00 H new ATOM 0 HG23 THR A 103 6.296 -1.345 -13.000 1.00 0.00 H new ATOM 1674 N VAL A 104 5.007 -1.694 -10.045 1.00 0.00 N ATOM 1675 CA VAL A 104 5.396 -3.022 -9.560 1.00 0.00 C ATOM 1676 C VAL A 104 5.220 -3.184 -8.050 1.00 0.00 C ATOM 1677 O VAL A 104 5.377 -2.248 -7.283 1.00 0.00 O ATOM 1678 CB VAL A 104 6.885 -3.191 -9.867 1.00 0.00 C ATOM 1679 CG1 VAL A 104 7.449 -4.469 -9.244 1.00 0.00 C ATOM 1680 CG2 VAL A 104 7.148 -3.200 -11.374 1.00 0.00 C ATOM 0 H VAL A 104 5.205 -0.909 -9.424 1.00 0.00 H new ATOM 0 HA VAL A 104 4.761 -3.761 -10.049 1.00 0.00 H new ATOM 0 HB VAL A 104 7.393 -2.334 -9.425 1.00 0.00 H new ATOM 0 HG11 VAL A 104 8.509 -4.554 -9.484 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.324 -4.432 -8.162 1.00 0.00 H new ATOM 0 HG13 VAL A 104 6.917 -5.333 -9.641 1.00 0.00 H new ATOM 0 HG21 VAL A 104 8.216 -3.322 -11.556 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.605 -4.026 -11.833 1.00 0.00 H new ATOM 0 HG23 VAL A 104 6.811 -2.259 -11.808 1.00 0.00 H new ATOM 1690 N PRO A 105 4.879 -4.449 -7.662 1.00 0.00 N ATOM 1691 CA PRO A 105 4.783 -4.828 -6.264 1.00 0.00 C ATOM 1692 C PRO A 105 6.195 -4.877 -5.674 1.00 0.00 C ATOM 1693 O PRO A 105 7.119 -5.423 -6.262 1.00 0.00 O ATOM 1694 CB PRO A 105 4.131 -6.209 -6.238 1.00 0.00 C ATOM 1695 CG PRO A 105 3.971 -6.654 -7.702 1.00 0.00 C ATOM 1696 CD PRO A 105 4.463 -5.495 -8.582 1.00 0.00 C ATOM 0 HA PRO A 105 4.196 -4.122 -5.677 1.00 0.00 H new ATOM 0 HB2 PRO A 105 4.748 -6.917 -5.684 1.00 0.00 H new ATOM 0 HB3 PRO A 105 3.163 -6.170 -5.738 1.00 0.00 H new ATOM 0 HG2 PRO A 105 4.550 -7.557 -7.896 1.00 0.00 H new ATOM 0 HG3 PRO A 105 2.930 -6.889 -7.922 1.00 0.00 H new ATOM 0 HD2 PRO A 105 5.291 -5.810 -9.217 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.671 -5.142 -9.243 1.00 0.00 H new ATOM 1704 N CYS A 106 6.299 -4.284 -4.486 1.00 0.00 N ATOM 1705 CA CYS A 106 7.620 -4.181 -3.894 1.00 0.00 C ATOM 1706 C CYS A 106 7.988 -5.368 -3.012 1.00 0.00 C ATOM 1707 O CYS A 106 9.132 -5.807 -2.990 1.00 0.00 O ATOM 1708 CB CYS A 106 7.685 -2.897 -3.096 1.00 0.00 C ATOM 1709 SG CYS A 106 9.278 -2.070 -3.265 1.00 0.00 S ATOM 0 H CYS A 106 5.530 -3.890 -3.944 1.00 0.00 H new ATOM 0 HA CYS A 106 8.348 -4.179 -4.706 1.00 0.00 H new ATOM 0 HB2 CYS A 106 6.892 -2.226 -3.426 1.00 0.00 H new ATOM 0 HB3 CYS A 106 7.501 -3.115 -2.044 1.00 0.00 H new ATOM 0 HG CYS A 106 10.221 -2.960 -3.359 1.00 0.00 H new ATOM 1715 N GLN A 107 6.977 -5.845 -2.276 1.00 0.00 N ATOM 1716 CA GLN A 107 7.235 -6.946 -1.391 1.00 0.00 C ATOM 1717 C GLN A 107 8.135 -7.974 -2.050 1.00 0.00 C ATOM 1718 O GLN A 107 8.409 -7.951 -3.244 1.00 0.00 O ATOM 1719 CB GLN A 107 5.920 -7.555 -0.990 1.00 0.00 C ATOM 1720 CG GLN A 107 5.878 -7.832 0.502 1.00 0.00 C ATOM 1721 CD GLN A 107 6.517 -9.177 0.843 1.00 0.00 C ATOM 1722 OE1 GLN A 107 7.159 -9.337 1.873 1.00 0.00 O ATOM 1723 NE2 GLN A 107 6.290 -10.130 -0.080 1.00 0.00 N ATOM 0 H GLN A 107 6.019 -5.494 -2.284 1.00 0.00 H new ATOM 0 HA GLN A 107 7.757 -6.588 -0.503 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.106 -6.882 -1.261 1.00 0.00 H new ATOM 0 HB3 GLN A 107 5.763 -8.483 -1.540 1.00 0.00 H new ATOM 0 HG2 GLN A 107 6.398 -7.036 1.035 1.00 0.00 H new ATOM 0 HG3 GLN A 107 4.844 -7.823 0.845 1.00 0.00 H new ATOM 0 HE21 GLN A 107 5.743 -9.913 -0.913 1.00 0.00 H new ATOM 0 HE22 GLN A 107 6.665 -11.069 0.054 1.00 0.00 H new ATOM 1732 N LYS A 108 8.547 -8.888 -1.175 1.00 0.00 N ATOM 1733 CA LYS A 108 9.450 -9.918 -1.614 1.00 0.00 C ATOM 1734 C LYS A 108 8.667 -11.144 -2.078 1.00 0.00 C ATOM 1735 O LYS A 108 7.654 -11.058 -2.760 1.00 0.00 O ATOM 1736 CB LYS A 108 10.375 -10.247 -0.449 1.00 0.00 C ATOM 1737 CG LYS A 108 9.573 -10.547 0.809 1.00 0.00 C ATOM 1738 CD LYS A 108 10.047 -9.713 1.999 1.00 0.00 C ATOM 1739 CE LYS A 108 10.503 -10.598 3.160 1.00 0.00 C ATOM 1740 NZ LYS A 108 10.993 -9.818 4.290 1.00 0.00 N ATOM 0 H LYS A 108 8.275 -8.929 -0.193 1.00 0.00 H new ATOM 0 HA LYS A 108 10.043 -9.582 -2.465 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.996 -11.106 -0.703 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.048 -9.410 -0.266 1.00 0.00 H new ATOM 0 HG2 LYS A 108 8.518 -10.347 0.623 1.00 0.00 H new ATOM 0 HG3 LYS A 108 9.659 -11.606 1.051 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.869 -9.068 1.688 1.00 0.00 H new ATOM 0 HD3 LYS A 108 9.239 -9.062 2.333 1.00 0.00 H new ATOM 0 HE2 LYS A 108 9.672 -11.223 3.486 1.00 0.00 H new ATOM 0 HE3 LYS A 108 11.290 -11.269 2.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 11.291 -10.460 5.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 11.803 -9.240 3.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 10.235 -9.196 4.637 1.00 0.00 H new ATOM 1754 N ILE A 109 9.224 -12.281 -1.654 1.00 0.00 N ATOM 1755 CA ILE A 109 8.613 -13.549 -2.009 1.00 0.00 C ATOM 1756 C ILE A 109 9.094 -14.634 -1.048 1.00 0.00 C ATOM 1757 O ILE A 109 8.356 -15.125 -0.203 1.00 0.00 O ATOM 1758 CB ILE A 109 8.966 -13.899 -3.456 1.00 0.00 C ATOM 1759 CG1 ILE A 109 8.455 -15.298 -3.803 1.00 0.00 C ATOM 1760 CG2 ILE A 109 10.476 -13.813 -3.697 1.00 0.00 C ATOM 1761 CD1 ILE A 109 6.951 -15.296 -4.079 1.00 0.00 C ATOM 0 H ILE A 109 10.068 -12.344 -1.084 1.00 0.00 H new ATOM 0 HA ILE A 109 7.528 -13.475 -1.928 1.00 0.00 H new ATOM 0 HB ILE A 109 8.479 -13.171 -4.105 1.00 0.00 H new ATOM 0 HG12 ILE A 109 8.986 -15.673 -4.678 1.00 0.00 H new ATOM 0 HG13 ILE A 109 8.674 -15.980 -2.981 1.00 0.00 H new ATOM 0 HG21 ILE A 109 10.694 -14.067 -4.734 1.00 0.00 H new ATOM 0 HG22 ILE A 109 10.820 -12.799 -3.492 1.00 0.00 H new ATOM 0 HG23 ILE A 109 10.990 -14.511 -3.036 1.00 0.00 H new ATOM 0 HD11 ILE A 109 6.624 -16.307 -4.322 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.419 -14.946 -3.194 1.00 0.00 H new ATOM 0 HD13 ILE A 109 6.736 -14.634 -4.918 1.00 0.00 H new ATOM 1773 N GLY A 110 10.378 -14.969 -1.240 1.00 0.00 N ATOM 1774 CA GLY A 110 10.968 -15.989 -0.394 1.00 0.00 C ATOM 1775 C GLY A 110 12.310 -16.460 -0.958 1.00 0.00 C ATOM 1776 O GLY A 110 12.561 -16.413 -2.156 1.00 0.00 O ATOM 0 H GLY A 110 10.996 -14.564 -1.943 1.00 0.00 H new ATOM 0 HA2 GLY A 110 11.111 -15.594 0.612 1.00 0.00 H new ATOM 0 HA3 GLY A 110 10.287 -16.836 -0.311 1.00 0.00 H new ATOM 1780 N THR A 111 13.148 -16.912 -0.009 1.00 0.00 N ATOM 1781 CA THR A 111 14.458 -17.390 -0.409 1.00 0.00 C ATOM 1782 C THR A 111 14.658 -18.817 0.090 1.00 0.00 C ATOM 1783 O THR A 111 15.110 -19.699 -0.630 1.00 0.00 O ATOM 1784 CB THR A 111 15.535 -16.466 0.160 1.00 0.00 C ATOM 1785 OG1 THR A 111 16.710 -16.595 -0.602 1.00 0.00 O ATOM 1786 CG2 THR A 111 15.841 -16.778 1.625 1.00 0.00 C ATOM 0 H THR A 111 12.946 -16.952 0.990 1.00 0.00 H new ATOM 0 HA THR A 111 14.533 -17.388 -1.496 1.00 0.00 H new ATOM 0 HB THR A 111 15.159 -15.444 0.110 1.00 0.00 H new ATOM 0 HG1 THR A 111 17.401 -16.002 -0.240 1.00 0.00 H new ATOM 0 HG21 THR A 111 16.611 -16.098 1.989 1.00 0.00 H new ATOM 0 HG22 THR A 111 14.936 -16.653 2.220 1.00 0.00 H new ATOM 0 HG23 THR A 111 16.194 -17.806 1.712 1.00 0.00 H new ATOM 1794 N GLN A 112 14.287 -18.978 1.369 1.00 0.00 N ATOM 1795 CA GLN A 112 14.431 -20.271 1.974 1.00 0.00 C ATOM 1796 C GLN A 112 13.181 -20.596 2.793 1.00 0.00 C ATOM 1797 O GLN A 112 12.187 -21.017 2.204 1.00 0.00 O ATOM 1798 CB GLN A 112 15.665 -20.252 2.864 1.00 0.00 C ATOM 1799 CG GLN A 112 16.930 -20.571 2.070 1.00 0.00 C ATOM 1800 CD GLN A 112 18.120 -20.714 3.021 1.00 0.00 C ATOM 1801 OE1 GLN A 112 18.751 -19.742 3.418 1.00 0.00 O ATOM 1802 NE2 GLN A 112 18.377 -21.991 3.353 1.00 0.00 N ATOM 1803 OXT GLN A 112 13.217 -20.426 4.011 1.00 0.00 O ATOM 0 H GLN A 112 13.902 -18.249 1.969 1.00 0.00 H new ATOM 0 HA GLN A 112 14.548 -21.039 1.209 1.00 0.00 H new ATOM 0 HB2 GLN A 112 15.764 -19.272 3.330 1.00 0.00 H new ATOM 0 HB3 GLN A 112 15.546 -20.977 3.669 1.00 0.00 H new ATOM 0 HG2 GLN A 112 16.792 -21.493 1.505 1.00 0.00 H new ATOM 0 HG3 GLN A 112 17.125 -19.780 1.346 1.00 0.00 H new ATOM 0 HE21 GLN A 112 17.799 -22.742 2.976 1.00 0.00 H new ATOM 0 HE22 GLN A 112 19.150 -22.209 3.982 1.00 0.00 H new TER 1812 GLN A 112 HETATM 1813 C ACE B 0 5.010 10.426 9.594 1.00 0.00 C HETATM 1814 O ACE B 0 5.086 11.399 8.853 1.00 0.00 O HETATM 1815 CH3 ACE B 0 4.317 10.496 10.951 1.00 0.00 C HETATM 0 H1 ACE B 0 3.490 9.787 10.974 1.00 0.00 H new HETATM 0 H2 ACE B 0 5.030 10.247 11.737 1.00 0.00 H new HETATM 0 H3 ACE B 0 3.935 11.504 11.113 1.00 0.00 H new ATOM 1819 N THR B 1 5.501 9.207 9.324 1.00 0.00 N ATOM 1820 CA THR B 1 6.070 8.970 8.014 1.00 0.00 C ATOM 1821 C THR B 1 4.942 8.821 6.999 1.00 0.00 C ATOM 1822 O THR B 1 4.495 7.726 6.682 1.00 0.00 O ATOM 1823 CB THR B 1 6.921 7.706 8.055 1.00 0.00 C ATOM 1824 OG1 THR B 1 8.264 8.047 8.307 1.00 0.00 O ATOM 1825 CG2 THR B 1 6.830 6.915 6.750 1.00 0.00 C ATOM 0 H THR B 1 5.512 8.415 9.966 1.00 0.00 H new ATOM 0 HA THR B 1 6.702 9.809 7.722 1.00 0.00 H new ATOM 0 HB THR B 1 6.538 7.074 8.856 1.00 0.00 H new ATOM 0 HG1 THR B 1 8.809 7.233 8.335 1.00 0.00 H new ATOM 0 HG21 THR B 1 7.451 6.022 6.822 1.00 0.00 H new ATOM 0 HG22 THR B 1 5.795 6.624 6.573 1.00 0.00 H new ATOM 0 HG23 THR B 1 7.179 7.535 5.924 1.00 0.00 H new HETATM 1833 N PTR B 2 4.491 9.988 6.529 1.00 0.00 N HETATM 1834 CA PTR B 2 3.415 9.946 5.559 1.00 0.00 C HETATM 1835 C PTR B 2 3.531 11.072 4.555 1.00 0.00 C HETATM 1836 O PTR B 2 3.412 12.252 4.863 1.00 0.00 O HETATM 1837 CB PTR B 2 2.072 9.967 6.282 1.00 0.00 C HETATM 1838 CG PTR B 2 2.023 8.783 7.179 1.00 0.00 C HETATM 1839 CD1 PTR B 2 1.675 7.511 6.659 1.00 0.00 C HETATM 1840 CD2 PTR B 2 2.503 8.889 8.506 1.00 0.00 C HETATM 1841 CE1 PTR B 2 1.820 6.363 7.441 1.00 0.00 C HETATM 1842 CE2 PTR B 2 2.649 7.741 9.298 1.00 0.00 C HETATM 1843 CZ PTR B 2 2.305 6.482 8.761 1.00 0.00 C HETATM 1844 OH PTR B 2 2.449 5.334 9.549 1.00 0.00 O HETATM 1845 P PTR B 2 3.644 4.379 9.248 1.00 0.00 P HETATM 1846 O1P PTR B 2 3.385 3.867 7.808 1.00 0.00 O HETATM 1847 O2P PTR B 2 3.467 3.204 10.243 1.00 0.00 O HETATM 1848 O3P PTR B 2 4.974 5.057 9.389 1.00 0.00 O HETATM 0 HE2 PTR B 2 3.024 7.820 10.318 1.00 0.00 H new HETATM 0 HE1 PTR B 2 1.561 5.385 7.036 1.00 0.00 H new HETATM 0 HD2 PTR B 2 2.760 9.867 8.914 1.00 0.00 H new HETATM 0 HD1 PTR B 2 1.292 7.428 5.642 1.00 0.00 H new HETATM 0 HB3 PTR B 2 1.961 10.887 6.856 1.00 0.00 H new HETATM 0 HB2 PTR B 2 1.251 9.938 5.565 1.00 0.00 H new HETATM 0 HA PTR B 2 3.487 9.017 4.993 1.00 0.00 H new HETATM 0 H PTR B 2 5.200 10.719 6.473 1.00 0.00 H new ATOM 1857 N GLU B 3 3.776 10.601 3.326 1.00 0.00 N ATOM 1858 CA GLU B 3 3.899 11.552 2.232 1.00 0.00 C ATOM 1859 C GLU B 3 2.549 12.209 2.027 1.00 0.00 C ATOM 1860 O GLU B 3 1.588 11.931 2.733 1.00 0.00 O ATOM 1861 CB GLU B 3 4.359 10.875 0.955 1.00 0.00 C ATOM 1862 CG GLU B 3 5.874 10.883 0.863 1.00 0.00 C ATOM 1863 CD GLU B 3 6.330 11.871 -0.212 1.00 0.00 C ATOM 1864 OE1 GLU B 3 5.658 11.974 -1.237 1.00 0.00 O ATOM 1865 OE2 GLU B 3 7.350 12.528 -0.011 1.00 0.00 O ATOM 0 H GLU B 3 3.887 9.618 3.078 1.00 0.00 H new ATOM 0 HA GLU B 3 4.652 12.299 2.484 1.00 0.00 H new ATOM 0 HB2 GLU B 3 3.993 9.849 0.929 1.00 0.00 H new ATOM 0 HB3 GLU B 3 3.934 11.387 0.092 1.00 0.00 H new ATOM 0 HG2 GLU B 3 6.303 11.158 1.826 1.00 0.00 H new ATOM 0 HG3 GLU B 3 6.237 9.883 0.626 1.00 0.00 H new ATOM 1872 N THR B 4 2.528 13.095 1.023 1.00 0.00 N ATOM 1873 CA THR B 4 1.272 13.755 0.756 1.00 0.00 C ATOM 1874 C THR B 4 0.821 13.439 -0.656 1.00 0.00 C ATOM 1875 O THR B 4 1.327 13.937 -1.655 1.00 0.00 O ATOM 1876 CB THR B 4 1.397 15.255 0.994 1.00 0.00 C ATOM 1877 OG1 THR B 4 0.259 15.719 1.681 1.00 0.00 O ATOM 1878 CG2 THR B 4 1.550 16.032 -0.311 1.00 0.00 C ATOM 0 H THR B 4 3.315 13.351 0.426 1.00 0.00 H new ATOM 0 HA THR B 4 0.511 13.384 1.443 1.00 0.00 H new ATOM 0 HB THR B 4 2.295 15.421 1.589 1.00 0.00 H new ATOM 0 HG1 THR B 4 -0.373 16.109 1.041 1.00 0.00 H new ATOM 0 HG21 THR B 4 1.636 17.096 -0.093 1.00 0.00 H new ATOM 0 HG22 THR B 4 2.446 15.695 -0.832 1.00 0.00 H new ATOM 0 HG23 THR B 4 0.678 15.860 -0.941 1.00 0.00 H new ATOM 1886 N LEU B 5 -0.172 12.558 -0.629 1.00 0.00 N ATOM 1887 CA LEU B 5 -0.754 12.085 -1.840 1.00 0.00 C ATOM 1888 C LEU B 5 -1.464 13.231 -2.558 1.00 0.00 C ATOM 1889 O LEU B 5 -2.644 13.491 -2.356 1.00 0.00 O ATOM 1890 CB LEU B 5 -1.721 10.982 -1.471 1.00 0.00 C ATOM 1891 CG LEU B 5 -1.283 9.698 -2.125 1.00 0.00 C ATOM 1892 CD1 LEU B 5 -1.682 8.491 -1.307 1.00 0.00 C ATOM 1893 CD2 LEU B 5 -1.894 9.616 -3.492 1.00 0.00 C ATOM 0 H LEU B 5 -0.577 12.169 0.223 1.00 0.00 H new ATOM 0 HA LEU B 5 0.005 11.700 -2.521 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -1.755 10.859 -0.388 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -2.729 11.243 -1.794 1.00 0.00 H new ATOM 0 HG LEU B 5 -0.195 9.699 -2.197 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -1.349 7.584 -1.811 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -1.219 8.550 -0.322 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -2.766 8.468 -1.197 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -1.583 8.689 -3.975 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -2.981 9.634 -3.407 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -1.563 10.465 -4.090 1.00 0.00 H new HETATM 1905 N NH2 B 6 -0.663 13.893 -3.413 1.00 0.00 N TER 1908 NH2 B 6