USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 821 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 ASN : amide:sc= -0.503 K(o=-11,f=-12!) USER MOD Set 1.2: A 98 HIS : no HD1:sc= -10.9! C(o=-11!,f=-11!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 30:sc= -1.21! USER MOD Single : A 35 LYS NZ :NH3+ 149:sc= -1.96 (180deg=-5.24!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -96:sc= -1.2 (180deg=-3.66!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 30:sc= -5.25! USER MOD Single : A 53 SER OG : rot 180:sc= -1.47! USER MOD Single : A 56 THR OG1 : rot 180:sc= -2.33! USER MOD Single : A 59 GLN : amide:sc= -1.56! C(o=-1.6!,f=-5.6!) USER MOD Single : A 61 TYR OH : rot 37:sc= 0.00305 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -0.478 X(o=-0.48,f=-0.93) USER MOD Single : A 82 ASN : amide:sc= -0.184 K(o=-0.18,f=-1.9!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.157 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.0799 USER MOD Single : A 91 MET CE :methyl -152:sc= -7.13! (180deg=-12!) USER MOD Single : A 93 GLN : amide:sc= -2.03 X(o=-2,f=-1.7) USER MOD Single : A 95 TYR OH : rot -110:sc= -2.37! USER MOD Single : A 96 GLN : amide:sc= -0.39 K(o=-0.39,f=-3.8!) USER MOD Single : A 99 HIS :FLIP no HE2:sc= -4.42! C(o=-4.9!,f=-4.4!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 50:sc= -3.78! USER MOD Single : A 110 SER OG : rot -170:sc= -0.758 USER MOD Single : A 113 SER OG : rot -52:sc= 0.073 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 18 0.029 10.293 12.287 1.00 0.00 N ATOM 2 CA GLY A 18 -0.431 10.562 10.895 1.00 0.00 C ATOM 3 C GLY A 18 -1.134 11.919 10.841 1.00 0.00 C ATOM 4 O GLY A 18 -0.888 12.721 9.962 1.00 0.00 O ATOM 0 HA2 GLY A 18 0.419 10.554 10.212 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -1.111 9.775 10.567 1.00 0.00 H new ATOM 8 N GLU A 19 -2.006 12.184 11.775 1.00 0.00 N ATOM 9 CA GLU A 19 -2.723 13.492 11.775 1.00 0.00 C ATOM 10 C GLU A 19 -1.719 14.645 11.684 1.00 0.00 C ATOM 11 O GLU A 19 -1.862 15.543 10.879 1.00 0.00 O ATOM 12 CB GLU A 19 -3.473 13.540 13.107 1.00 0.00 C ATOM 13 CG GLU A 19 -4.978 13.618 12.845 1.00 0.00 C ATOM 14 CD GLU A 19 -5.650 14.420 13.961 1.00 0.00 C ATOM 15 OE1 GLU A 19 -5.266 15.561 14.158 1.00 0.00 O ATOM 16 OE2 GLU A 19 -6.538 13.880 14.600 1.00 0.00 O ATOM 0 H GLU A 19 -2.253 11.553 12.537 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.399 13.589 10.926 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.242 12.654 13.698 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.149 14.404 13.687 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.166 14.089 11.880 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.402 12.615 12.798 1.00 0.00 H new ATOM 23 N LYS A 20 -0.702 14.624 12.502 1.00 0.00 N ATOM 24 CA LYS A 20 0.310 15.720 12.461 1.00 0.00 C ATOM 25 C LYS A 20 1.193 15.577 11.218 1.00 0.00 C ATOM 26 O LYS A 20 1.698 16.547 10.690 1.00 0.00 O ATOM 27 CB LYS A 20 1.140 15.540 13.733 1.00 0.00 C ATOM 28 CG LYS A 20 1.732 16.887 14.151 1.00 0.00 C ATOM 29 CD LYS A 20 1.210 17.268 15.537 1.00 0.00 C ATOM 30 CE LYS A 20 0.713 18.715 15.518 1.00 0.00 C ATOM 31 NZ LYS A 20 -0.150 18.842 16.726 1.00 0.00 N ATOM 0 H LYS A 20 -0.528 13.897 13.196 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.150 16.707 12.411 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.517 15.141 14.533 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.938 14.818 13.560 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.820 16.829 14.164 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.463 17.655 13.426 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.401 16.599 15.829 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.001 17.154 16.279 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.545 19.419 15.551 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.152 18.928 14.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.529 19.809 16.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.937 18.165 16.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.413 18.641 17.577 1.00 0.00 H new ATOM 45 N ILE A 21 1.384 14.375 10.748 1.00 0.00 N ATOM 46 CA ILE A 21 2.235 14.173 9.540 1.00 0.00 C ATOM 47 C ILE A 21 1.511 14.677 8.295 1.00 0.00 C ATOM 48 O ILE A 21 2.123 14.966 7.291 1.00 0.00 O ATOM 49 CB ILE A 21 2.461 12.663 9.459 1.00 0.00 C ATOM 50 CG1 ILE A 21 3.342 12.218 10.628 1.00 0.00 C ATOM 51 CG2 ILE A 21 3.154 12.316 8.140 1.00 0.00 C ATOM 52 CD1 ILE A 21 4.571 13.126 10.716 1.00 0.00 C ATOM 0 H ILE A 21 0.988 13.524 11.147 1.00 0.00 H new ATOM 0 HA ILE A 21 3.176 14.720 9.602 1.00 0.00 H new ATOM 0 HB ILE A 21 1.500 12.151 9.508 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.778 12.261 11.559 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.651 11.182 10.490 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.314 11.239 8.085 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.528 12.633 7.306 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.115 12.828 8.088 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.199 12.809 11.549 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.139 13.060 9.788 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.252 14.156 10.874 1.00 0.00 H new ATOM 64 N ARG A 22 0.216 14.794 8.344 1.00 0.00 N ATOM 65 CA ARG A 22 -0.515 15.290 7.150 1.00 0.00 C ATOM 66 C ARG A 22 -0.419 16.814 7.075 1.00 0.00 C ATOM 67 O ARG A 22 -0.405 17.394 6.008 1.00 0.00 O ATOM 68 CB ARG A 22 -1.963 14.853 7.352 1.00 0.00 C ATOM 69 CG ARG A 22 -2.515 14.337 6.026 1.00 0.00 C ATOM 70 CD ARG A 22 -2.200 15.343 4.913 1.00 0.00 C ATOM 71 NE ARG A 22 -2.507 14.622 3.647 1.00 0.00 N ATOM 72 CZ ARG A 22 -2.779 15.296 2.562 1.00 0.00 C ATOM 73 NH1 ARG A 22 -1.816 15.859 1.886 1.00 0.00 N ATOM 74 NH2 ARG A 22 -4.014 15.406 2.155 1.00 0.00 N ATOM 0 H ARG A 22 -0.364 14.570 9.153 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.103 14.896 6.221 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -2.019 14.074 8.112 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.563 15.690 7.709 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.075 13.368 5.790 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.592 14.188 6.102 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.806 16.244 5.012 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.156 15.656 4.947 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.505 13.602 3.627 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.851 15.773 2.205 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.028 16.386 1.038 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.767 14.966 2.684 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.227 15.932 1.308 1.00 0.00 H new ATOM 86 N LYS A 23 -0.348 17.464 8.203 1.00 0.00 N ATOM 87 CA LYS A 23 -0.250 18.949 8.201 1.00 0.00 C ATOM 88 C LYS A 23 1.172 19.381 7.833 1.00 0.00 C ATOM 89 O LYS A 23 1.373 20.357 7.138 1.00 0.00 O ATOM 90 CB LYS A 23 -0.585 19.371 9.631 1.00 0.00 C ATOM 91 CG LYS A 23 -1.749 20.363 9.613 1.00 0.00 C ATOM 92 CD LYS A 23 -1.394 21.552 8.717 1.00 0.00 C ATOM 93 CE LYS A 23 -2.597 21.906 7.838 1.00 0.00 C ATOM 94 NZ LYS A 23 -2.788 23.371 8.020 1.00 0.00 N ATOM 0 H LYS A 23 -0.354 17.030 9.126 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.921 19.407 7.475 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.848 18.497 10.227 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.287 19.826 10.100 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.651 19.874 9.246 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.962 20.708 10.625 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.111 22.410 9.328 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.534 21.307 8.094 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.409 21.659 6.793 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.485 21.351 8.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.596 23.689 7.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.972 23.575 9.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.930 23.873 7.716 1.00 0.00 H new ATOM 108 N LYS A 24 2.161 18.667 8.300 1.00 0.00 N ATOM 109 CA LYS A 24 3.563 19.048 7.978 1.00 0.00 C ATOM 110 C LYS A 24 3.995 18.454 6.629 1.00 0.00 C ATOM 111 O LYS A 24 4.806 19.026 5.928 1.00 0.00 O ATOM 112 CB LYS A 24 4.408 18.498 9.135 1.00 0.00 C ATOM 113 CG LYS A 24 4.738 17.022 8.901 1.00 0.00 C ATOM 114 CD LYS A 24 5.541 16.486 10.088 1.00 0.00 C ATOM 115 CE LYS A 24 6.969 17.033 10.030 1.00 0.00 C ATOM 116 NZ LYS A 24 7.220 17.592 11.388 1.00 0.00 N ATOM 0 H LYS A 24 2.058 17.840 8.888 1.00 0.00 H new ATOM 0 HA LYS A 24 3.682 20.127 7.879 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.329 19.073 9.226 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.867 18.612 10.075 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.820 16.447 8.780 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.309 16.907 7.980 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.066 16.780 11.024 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.557 15.396 10.067 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.684 16.247 9.788 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.067 17.800 9.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.181 17.987 11.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.528 18.343 11.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.126 16.837 12.097 1.00 0.00 H new ATOM 130 N TYR A 25 3.459 17.321 6.247 1.00 0.00 N ATOM 131 CA TYR A 25 3.855 16.728 4.935 1.00 0.00 C ATOM 132 C TYR A 25 2.661 16.716 3.976 1.00 0.00 C ATOM 133 O TYR A 25 2.115 15.672 3.680 1.00 0.00 O ATOM 134 CB TYR A 25 4.297 15.300 5.248 1.00 0.00 C ATOM 135 CG TYR A 25 5.548 15.325 6.090 1.00 0.00 C ATOM 136 CD1 TYR A 25 6.701 15.961 5.615 1.00 0.00 C ATOM 137 CD2 TYR A 25 5.555 14.709 7.346 1.00 0.00 C ATOM 138 CE1 TYR A 25 7.862 15.981 6.396 1.00 0.00 C ATOM 139 CE2 TYR A 25 6.715 14.727 8.128 1.00 0.00 C ATOM 140 CZ TYR A 25 7.869 15.364 7.653 1.00 0.00 C ATOM 141 OH TYR A 25 9.013 15.382 8.425 1.00 0.00 O ATOM 0 H TYR A 25 2.773 16.787 6.780 1.00 0.00 H new ATOM 0 HA TYR A 25 4.648 17.301 4.455 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.503 14.771 5.776 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.482 14.756 4.322 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.695 16.436 4.645 1.00 0.00 H new ATOM 0 HD2 TYR A 25 4.665 14.219 7.712 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.752 16.472 6.030 1.00 0.00 H new ATOM 0 HE2 TYR A 25 6.721 14.250 9.097 1.00 0.00 H new ATOM 0 HH TYR A 25 9.526 16.194 8.231 1.00 0.00 H new ATOM 151 N PRO A 26 2.299 17.882 3.521 1.00 0.00 N ATOM 152 CA PRO A 26 1.160 18.010 2.580 1.00 0.00 C ATOM 153 C PRO A 26 1.558 17.499 1.193 1.00 0.00 C ATOM 154 O PRO A 26 0.754 17.449 0.283 1.00 0.00 O ATOM 155 CB PRO A 26 0.886 19.511 2.552 1.00 0.00 C ATOM 156 CG PRO A 26 2.183 20.150 2.936 1.00 0.00 C ATOM 157 CD PRO A 26 2.908 19.179 3.833 1.00 0.00 C ATOM 0 HA PRO A 26 0.287 17.430 2.878 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.565 19.835 1.562 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.092 19.780 3.249 1.00 0.00 H new ATOM 0 HG2 PRO A 26 2.778 20.375 2.051 1.00 0.00 H new ATOM 0 HG3 PRO A 26 2.009 21.094 3.452 1.00 0.00 H new ATOM 0 HD2 PRO A 26 3.979 19.175 3.633 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.781 19.436 4.885 1.00 0.00 H new ATOM 165 N ASP A 27 2.796 17.116 1.027 1.00 0.00 N ATOM 166 CA ASP A 27 3.248 16.605 -0.299 1.00 0.00 C ATOM 167 C ASP A 27 3.462 15.090 -0.233 1.00 0.00 C ATOM 168 O ASP A 27 3.801 14.459 -1.214 1.00 0.00 O ATOM 169 CB ASP A 27 4.571 17.323 -0.569 1.00 0.00 C ATOM 170 CG ASP A 27 4.864 17.309 -2.070 1.00 0.00 C ATOM 171 OD1 ASP A 27 3.958 17.602 -2.834 1.00 0.00 O ATOM 172 OD2 ASP A 27 5.989 17.005 -2.431 1.00 0.00 O ATOM 0 H ASP A 27 3.513 17.135 1.752 1.00 0.00 H new ATOM 0 HA ASP A 27 2.517 16.789 -1.086 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.520 18.350 -0.208 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.380 16.834 -0.026 1.00 0.00 H new ATOM 177 N ARG A 28 3.267 14.503 0.917 1.00 0.00 N ATOM 178 CA ARG A 28 3.460 13.029 1.043 1.00 0.00 C ATOM 179 C ARG A 28 2.127 12.304 0.845 1.00 0.00 C ATOM 180 O ARG A 28 1.151 12.886 0.413 1.00 0.00 O ATOM 181 CB ARG A 28 3.978 12.815 2.466 1.00 0.00 C ATOM 182 CG ARG A 28 5.502 12.937 2.480 1.00 0.00 C ATOM 183 CD ARG A 28 5.919 14.224 1.764 1.00 0.00 C ATOM 184 NE ARG A 28 7.408 14.195 1.759 1.00 0.00 N ATOM 185 CZ ARG A 28 8.075 15.117 1.119 1.00 0.00 C ATOM 186 NH1 ARG A 28 8.036 16.355 1.529 1.00 0.00 N ATOM 187 NH2 ARG A 28 8.781 14.799 0.068 1.00 0.00 N ATOM 0 H ARG A 28 2.983 14.979 1.773 1.00 0.00 H new ATOM 0 HA ARG A 28 4.150 12.638 0.295 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.538 13.551 3.139 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.678 11.832 2.829 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.867 12.945 3.507 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.951 12.074 1.989 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.521 14.258 0.750 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.543 15.105 2.284 1.00 0.00 H new ATOM 0 HE ARG A 28 7.906 13.456 2.255 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.484 16.603 2.350 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.557 17.075 1.028 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.811 13.831 -0.252 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.302 15.518 -0.433 1.00 0.00 H new ATOM 199 N VAL A 29 2.075 11.039 1.162 1.00 0.00 N ATOM 200 CA VAL A 29 0.802 10.283 0.994 1.00 0.00 C ATOM 201 C VAL A 29 0.660 9.234 2.101 1.00 0.00 C ATOM 202 O VAL A 29 1.322 8.213 2.083 1.00 0.00 O ATOM 203 CB VAL A 29 0.913 9.611 -0.377 1.00 0.00 C ATOM 204 CG1 VAL A 29 -0.128 8.495 -0.489 1.00 0.00 C ATOM 205 CG2 VAL A 29 0.664 10.648 -1.474 1.00 0.00 C ATOM 0 H VAL A 29 2.857 10.497 1.529 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.073 10.930 1.057 1.00 0.00 H new ATOM 0 HB VAL A 29 1.911 9.189 -0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.047 8.018 -1.466 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.047 7.755 0.292 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.127 8.916 -0.373 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.743 10.171 -2.451 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.334 11.070 -1.356 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.406 11.443 -1.398 1.00 0.00 H new ATOM 215 N PRO A 30 -0.214 9.527 3.030 1.00 0.00 N ATOM 216 CA PRO A 30 -0.468 8.603 4.159 1.00 0.00 C ATOM 217 C PRO A 30 -1.320 7.424 3.683 1.00 0.00 C ATOM 218 O PRO A 30 -2.532 7.429 3.797 1.00 0.00 O ATOM 219 CB PRO A 30 -1.238 9.460 5.159 1.00 0.00 C ATOM 220 CG PRO A 30 -1.887 10.531 4.339 1.00 0.00 C ATOM 221 CD PRO A 30 -1.034 10.739 3.111 1.00 0.00 C ATOM 0 HA PRO A 30 0.441 8.179 4.586 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.981 8.869 5.694 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.571 9.887 5.908 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -2.899 10.239 4.058 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -1.969 11.455 4.911 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.646 10.865 2.218 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -0.416 11.632 3.203 1.00 0.00 H new ATOM 229 N VAL A 31 -0.698 6.427 3.124 1.00 0.00 N ATOM 230 CA VAL A 31 -1.463 5.260 2.618 1.00 0.00 C ATOM 231 C VAL A 31 -1.823 4.300 3.757 1.00 0.00 C ATOM 232 O VAL A 31 -1.102 4.164 4.726 1.00 0.00 O ATOM 233 CB VAL A 31 -0.524 4.583 1.611 1.00 0.00 C ATOM 234 CG1 VAL A 31 0.221 5.643 0.795 1.00 0.00 C ATOM 235 CG2 VAL A 31 0.494 3.699 2.337 1.00 0.00 C ATOM 0 H VAL A 31 0.312 6.371 2.996 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.408 5.558 2.165 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.125 3.963 0.945 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.885 5.153 0.083 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.499 6.259 0.256 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.807 6.272 1.465 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.152 3.227 1.607 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.087 4.310 3.018 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.031 2.930 2.904 1.00 0.00 H new ATOM 245 N ILE A 32 -2.927 3.617 3.630 1.00 0.00 N ATOM 246 CA ILE A 32 -3.330 2.642 4.681 1.00 0.00 C ATOM 247 C ILE A 32 -2.998 1.235 4.187 1.00 0.00 C ATOM 248 O ILE A 32 -2.732 1.034 3.019 1.00 0.00 O ATOM 249 CB ILE A 32 -4.840 2.820 4.849 1.00 0.00 C ATOM 250 CG1 ILE A 32 -5.114 4.066 5.695 1.00 0.00 C ATOM 251 CG2 ILE A 32 -5.428 1.592 5.548 1.00 0.00 C ATOM 252 CD1 ILE A 32 -4.360 3.958 7.020 1.00 0.00 C ATOM 0 H ILE A 32 -3.569 3.693 2.841 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.815 2.797 5.629 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.302 2.934 3.868 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.799 4.960 5.157 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.184 4.165 5.880 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.504 1.721 5.667 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.233 0.703 4.947 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.966 1.476 6.529 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.555 4.845 7.623 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.696 3.072 7.559 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.291 3.880 6.825 1.00 0.00 H new ATOM 264 N VAL A 33 -2.988 0.260 5.050 1.00 0.00 N ATOM 265 CA VAL A 33 -2.644 -1.108 4.582 1.00 0.00 C ATOM 266 C VAL A 33 -3.590 -2.159 5.172 1.00 0.00 C ATOM 267 O VAL A 33 -3.990 -2.094 6.318 1.00 0.00 O ATOM 268 CB VAL A 33 -1.187 -1.304 5.034 1.00 0.00 C ATOM 269 CG1 VAL A 33 -0.982 -2.686 5.666 1.00 0.00 C ATOM 270 CG2 VAL A 33 -0.277 -1.165 3.814 1.00 0.00 C ATOM 0 H VAL A 33 -3.200 0.348 6.044 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.751 -1.224 3.503 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.946 -0.551 5.784 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.058 -2.794 5.975 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.632 -2.789 6.535 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.226 -3.459 4.937 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.761 -1.301 4.117 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.542 -1.921 3.075 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.401 -0.173 3.379 1.00 0.00 H new ATOM 280 N GLU A 34 -3.936 -3.133 4.377 1.00 0.00 N ATOM 281 CA GLU A 34 -4.844 -4.220 4.840 1.00 0.00 C ATOM 282 C GLU A 34 -4.623 -5.472 3.981 1.00 0.00 C ATOM 283 O GLU A 34 -4.004 -5.417 2.934 1.00 0.00 O ATOM 284 CB GLU A 34 -6.255 -3.668 4.639 1.00 0.00 C ATOM 285 CG GLU A 34 -7.082 -3.904 5.904 1.00 0.00 C ATOM 286 CD GLU A 34 -8.495 -3.353 5.701 1.00 0.00 C ATOM 287 OE1 GLU A 34 -8.744 -2.794 4.646 1.00 0.00 O ATOM 288 OE2 GLU A 34 -9.302 -3.501 6.603 1.00 0.00 O ATOM 0 H GLU A 34 -3.623 -3.223 3.410 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.668 -4.504 5.877 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.211 -2.602 4.414 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.729 -4.154 3.786 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.125 -4.970 6.130 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.609 -3.416 6.757 1.00 0.00 H new ATOM 295 N LYS A 35 -5.115 -6.601 4.410 1.00 0.00 N ATOM 296 CA LYS A 35 -4.916 -7.842 3.606 1.00 0.00 C ATOM 297 C LYS A 35 -6.164 -8.160 2.784 1.00 0.00 C ATOM 298 O LYS A 35 -7.244 -7.672 3.053 1.00 0.00 O ATOM 299 CB LYS A 35 -4.660 -8.949 4.627 1.00 0.00 C ATOM 300 CG LYS A 35 -3.428 -9.750 4.205 1.00 0.00 C ATOM 301 CD LYS A 35 -2.191 -8.855 4.279 1.00 0.00 C ATOM 302 CE LYS A 35 -1.854 -8.571 5.745 1.00 0.00 C ATOM 303 NZ LYS A 35 -1.894 -9.902 6.413 1.00 0.00 N ATOM 0 H LYS A 35 -5.642 -6.719 5.275 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.092 -7.736 2.901 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.507 -8.519 5.617 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.528 -9.604 4.695 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.303 -10.616 4.855 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.556 -10.129 3.191 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.348 -9.341 3.788 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.373 -7.920 3.749 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.871 -8.110 5.842 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.574 -7.884 6.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.215 -9.916 7.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.852 -10.079 6.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.643 -10.642 5.727 1.00 0.00 H new ATOM 317 N ALA A 36 -6.021 -8.990 1.788 1.00 0.00 N ATOM 318 CA ALA A 36 -7.194 -9.360 0.947 1.00 0.00 C ATOM 319 C ALA A 36 -8.215 -10.116 1.806 1.00 0.00 C ATOM 320 O ALA A 36 -8.055 -10.206 3.006 1.00 0.00 O ATOM 321 CB ALA A 36 -6.622 -10.264 -0.148 1.00 0.00 C ATOM 0 H ALA A 36 -5.140 -9.429 1.520 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.706 -8.496 0.524 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.425 -10.582 -0.813 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.873 -9.715 -0.719 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.160 -11.140 0.308 1.00 0.00 H new ATOM 327 N PRO A 37 -9.234 -10.637 1.173 1.00 0.00 N ATOM 328 CA PRO A 37 -10.270 -11.387 1.921 1.00 0.00 C ATOM 329 C PRO A 37 -9.706 -12.728 2.396 1.00 0.00 C ATOM 330 O PRO A 37 -9.493 -13.635 1.616 1.00 0.00 O ATOM 331 CB PRO A 37 -11.387 -11.578 0.900 1.00 0.00 C ATOM 332 CG PRO A 37 -10.714 -11.496 -0.432 1.00 0.00 C ATOM 333 CD PRO A 37 -9.519 -10.589 -0.268 1.00 0.00 C ATOM 0 HA PRO A 37 -10.618 -10.873 2.817 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.883 -12.540 1.033 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.152 -10.808 1.004 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.404 -12.485 -0.769 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.396 -11.102 -1.185 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.669 -10.938 -0.855 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.740 -9.574 -0.598 1.00 0.00 H new ATOM 341 N LYS A 38 -9.458 -12.854 3.671 1.00 0.00 N ATOM 342 CA LYS A 38 -8.902 -14.130 4.202 1.00 0.00 C ATOM 343 C LYS A 38 -7.514 -14.388 3.611 1.00 0.00 C ATOM 344 O LYS A 38 -7.144 -15.512 3.337 1.00 0.00 O ATOM 345 CB LYS A 38 -9.892 -15.202 3.755 1.00 0.00 C ATOM 346 CG LYS A 38 -10.609 -15.774 4.978 1.00 0.00 C ATOM 347 CD LYS A 38 -12.108 -15.876 4.690 1.00 0.00 C ATOM 348 CE LYS A 38 -12.824 -16.462 5.908 1.00 0.00 C ATOM 349 NZ LYS A 38 -14.059 -15.644 6.060 1.00 0.00 N ATOM 0 H LYS A 38 -9.617 -12.127 4.369 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.782 -14.115 5.285 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.617 -14.776 3.061 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.369 -15.996 3.222 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.207 -16.758 5.221 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.437 -15.136 5.845 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.512 -14.891 4.457 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.279 -16.506 3.817 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.064 -17.514 5.756 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.199 -16.403 6.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.604 -15.987 6.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.800 -14.648 6.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.637 -15.725 5.199 1.00 0.00 H new ATOM 363 N ALA A 39 -6.740 -13.354 3.414 1.00 0.00 N ATOM 364 CA ALA A 39 -5.376 -13.541 2.843 1.00 0.00 C ATOM 365 C ALA A 39 -4.554 -14.471 3.740 1.00 0.00 C ATOM 366 O ALA A 39 -5.019 -14.929 4.764 1.00 0.00 O ATOM 367 CB ALA A 39 -4.761 -12.142 2.812 1.00 0.00 C ATOM 0 H ALA A 39 -6.994 -12.389 3.624 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.401 -13.994 1.852 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.752 -12.197 2.403 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.371 -11.490 2.187 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.720 -11.740 3.824 1.00 0.00 H new ATOM 373 N ARG A 40 -3.337 -14.755 3.364 1.00 0.00 N ATOM 374 CA ARG A 40 -2.496 -15.658 4.200 1.00 0.00 C ATOM 375 C ARG A 40 -1.013 -15.308 4.046 1.00 0.00 C ATOM 376 O ARG A 40 -0.161 -16.174 4.060 1.00 0.00 O ATOM 377 CB ARG A 40 -2.771 -17.061 3.661 1.00 0.00 C ATOM 378 CG ARG A 40 -2.203 -17.183 2.246 1.00 0.00 C ATOM 379 CD ARG A 40 -1.211 -18.347 2.191 1.00 0.00 C ATOM 380 NE ARG A 40 -0.620 -18.286 0.826 1.00 0.00 N ATOM 381 CZ ARG A 40 -0.660 -19.335 0.051 1.00 0.00 C ATOM 382 NH1 ARG A 40 0.170 -20.322 0.245 1.00 0.00 N ATOM 383 NH2 ARG A 40 -1.532 -19.396 -0.919 1.00 0.00 N ATOM 0 H ARG A 40 -2.890 -14.402 2.518 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.730 -15.570 5.261 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.317 -17.808 4.312 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.844 -17.255 3.652 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.010 -17.346 1.532 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.707 -16.255 1.961 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.443 -18.248 2.958 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.711 -19.300 2.362 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.184 -17.425 0.497 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.851 -20.274 1.003 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.138 -21.142 -0.361 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.181 -18.624 -1.070 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.564 -20.216 -1.525 1.00 0.00 H new ATOM 395 N ILE A 41 -0.692 -14.051 3.899 1.00 0.00 N ATOM 396 CA ILE A 41 0.742 -13.677 3.748 1.00 0.00 C ATOM 397 C ILE A 41 1.401 -13.513 5.125 1.00 0.00 C ATOM 398 O ILE A 41 0.766 -13.653 6.151 1.00 0.00 O ATOM 399 CB ILE A 41 0.777 -12.374 2.920 1.00 0.00 C ATOM 400 CG1 ILE A 41 0.023 -11.222 3.607 1.00 0.00 C ATOM 401 CG2 ILE A 41 0.139 -12.631 1.555 1.00 0.00 C ATOM 402 CD1 ILE A 41 0.745 -10.801 4.878 1.00 0.00 C ATOM 0 H ILE A 41 -1.353 -13.275 3.877 1.00 0.00 H new ATOM 0 HA ILE A 41 1.309 -14.454 3.235 1.00 0.00 H new ATOM 0 HB ILE A 41 1.821 -12.078 2.819 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.055 -10.373 2.927 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.994 -11.535 3.845 1.00 0.00 H new ATOM 0 HG21 ILE A 41 0.160 -11.715 0.965 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.695 -13.411 1.035 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.894 -12.951 1.691 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.200 -9.985 5.353 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.800 -11.647 5.562 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.753 -10.468 4.631 1.00 0.00 H new ATOM 414 N GLY A 42 2.679 -13.253 5.146 1.00 0.00 N ATOM 415 CA GLY A 42 3.410 -13.117 6.445 1.00 0.00 C ATOM 416 C GLY A 42 2.667 -12.184 7.402 1.00 0.00 C ATOM 417 O GLY A 42 1.602 -11.690 7.110 1.00 0.00 O ATOM 0 H GLY A 42 3.256 -13.127 4.314 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.525 -14.098 6.905 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.413 -12.731 6.262 1.00 0.00 H new ATOM 421 N ASP A 43 3.233 -11.945 8.552 1.00 0.00 N ATOM 422 CA ASP A 43 2.572 -11.044 9.539 1.00 0.00 C ATOM 423 C ASP A 43 2.767 -9.585 9.120 1.00 0.00 C ATOM 424 O ASP A 43 3.316 -9.301 8.075 1.00 0.00 O ATOM 425 CB ASP A 43 3.280 -11.321 10.866 1.00 0.00 C ATOM 426 CG ASP A 43 2.256 -11.315 12.003 1.00 0.00 C ATOM 427 OD1 ASP A 43 1.141 -10.882 11.767 1.00 0.00 O ATOM 428 OD2 ASP A 43 2.607 -11.742 13.091 1.00 0.00 O ATOM 0 H ASP A 43 4.126 -12.335 8.852 1.00 0.00 H new ATOM 0 HA ASP A 43 1.498 -11.218 9.610 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.788 -12.285 10.825 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.044 -10.565 11.047 1.00 0.00 H new ATOM 433 N LEU A 44 2.322 -8.657 9.922 1.00 0.00 N ATOM 434 CA LEU A 44 2.487 -7.222 9.553 1.00 0.00 C ATOM 435 C LEU A 44 2.956 -6.403 10.758 1.00 0.00 C ATOM 436 O LEU A 44 2.445 -6.536 11.852 1.00 0.00 O ATOM 437 CB LEU A 44 1.097 -6.763 9.116 1.00 0.00 C ATOM 438 CG LEU A 44 1.068 -6.581 7.599 1.00 0.00 C ATOM 439 CD1 LEU A 44 2.019 -5.452 7.200 1.00 0.00 C ATOM 440 CD2 LEU A 44 1.508 -7.879 6.917 1.00 0.00 C ATOM 0 H LEU A 44 1.854 -8.828 10.812 1.00 0.00 H new ATOM 0 HA LEU A 44 3.234 -7.089 8.770 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.350 -7.496 9.418 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.841 -5.825 9.609 1.00 0.00 H new ATOM 0 HG LEU A 44 0.054 -6.331 7.286 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.997 -5.323 6.118 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.706 -4.526 7.682 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.032 -5.701 7.515 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.487 -7.747 5.835 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.521 -8.130 7.232 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.830 -8.685 7.198 1.00 0.00 H new ATOM 452 N ASP A 45 3.918 -5.547 10.556 1.00 0.00 N ATOM 453 CA ASP A 45 4.419 -4.703 11.678 1.00 0.00 C ATOM 454 C ASP A 45 3.572 -3.432 11.787 1.00 0.00 C ATOM 455 O ASP A 45 3.308 -2.936 12.864 1.00 0.00 O ATOM 456 CB ASP A 45 5.861 -4.356 11.300 1.00 0.00 C ATOM 457 CG ASP A 45 6.769 -5.549 11.601 1.00 0.00 C ATOM 458 OD1 ASP A 45 6.859 -5.923 12.758 1.00 0.00 O ATOM 459 OD2 ASP A 45 7.360 -6.067 10.668 1.00 0.00 O ATOM 0 H ASP A 45 4.381 -5.395 9.660 1.00 0.00 H new ATOM 0 HA ASP A 45 4.364 -5.212 12.641 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.919 -4.099 10.242 1.00 0.00 H new ATOM 0 HB3 ASP A 45 6.194 -3.482 11.859 1.00 0.00 H new ATOM 464 N LYS A 46 3.146 -2.905 10.671 1.00 0.00 N ATOM 465 CA LYS A 46 2.318 -1.669 10.687 1.00 0.00 C ATOM 466 C LYS A 46 1.413 -1.633 9.450 1.00 0.00 C ATOM 467 O LYS A 46 1.713 -2.235 8.438 1.00 0.00 O ATOM 468 CB LYS A 46 3.330 -0.524 10.652 1.00 0.00 C ATOM 469 CG LYS A 46 4.351 -0.766 9.536 1.00 0.00 C ATOM 470 CD LYS A 46 3.728 -0.419 8.183 1.00 0.00 C ATOM 471 CE LYS A 46 4.566 0.662 7.498 1.00 0.00 C ATOM 472 NZ LYS A 46 5.976 0.195 7.622 1.00 0.00 N ATOM 0 H LYS A 46 3.339 -3.282 9.743 1.00 0.00 H new ATOM 0 HA LYS A 46 1.666 -1.609 11.559 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.816 0.423 10.487 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.839 -0.447 11.613 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.240 -0.158 9.705 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.672 -1.808 9.543 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.678 -1.308 7.555 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.705 -0.068 8.321 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.280 0.780 6.453 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.428 1.631 7.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.419 0.643 8.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.990 -0.838 7.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.504 0.454 6.764 1.00 0.00 H new ATOM 486 N LYS A 47 0.309 -0.935 9.516 1.00 0.00 N ATOM 487 CA LYS A 47 -0.597 -0.878 8.332 1.00 0.00 C ATOM 488 C LYS A 47 -0.766 0.570 7.864 1.00 0.00 C ATOM 489 O LYS A 47 -1.852 1.008 7.538 1.00 0.00 O ATOM 490 CB LYS A 47 -1.932 -1.463 8.810 1.00 0.00 C ATOM 491 CG LYS A 47 -2.602 -0.509 9.802 1.00 0.00 C ATOM 492 CD LYS A 47 -2.061 -0.766 11.209 1.00 0.00 C ATOM 493 CE LYS A 47 -3.188 -1.289 12.102 1.00 0.00 C ATOM 494 NZ LYS A 47 -3.150 -2.769 11.938 1.00 0.00 N ATOM 0 H LYS A 47 -0.002 -0.407 10.331 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.201 -1.436 7.484 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.589 -1.633 7.957 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.765 -2.431 9.282 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.413 0.525 9.512 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.682 -0.652 9.786 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.247 -1.490 11.170 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.650 0.154 11.625 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.033 -1.002 13.142 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.153 -0.882 11.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.895 -3.202 12.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.307 -3.012 10.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.222 -3.128 12.240 1.00 0.00 H new ATOM 508 N LYS A 48 0.307 1.307 7.820 1.00 0.00 N ATOM 509 CA LYS A 48 0.233 2.727 7.366 1.00 0.00 C ATOM 510 C LYS A 48 1.611 3.184 6.886 1.00 0.00 C ATOM 511 O LYS A 48 2.514 3.387 7.672 1.00 0.00 O ATOM 512 CB LYS A 48 -0.184 3.527 8.601 1.00 0.00 C ATOM 513 CG LYS A 48 -1.518 3.003 9.132 1.00 0.00 C ATOM 514 CD LYS A 48 -2.070 3.975 10.175 1.00 0.00 C ATOM 515 CE LYS A 48 -3.542 3.659 10.441 1.00 0.00 C ATOM 516 NZ LYS A 48 -3.607 3.317 11.889 1.00 0.00 N ATOM 0 H LYS A 48 1.240 0.987 8.080 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.468 2.861 6.542 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.582 3.447 9.373 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.273 4.584 8.348 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.228 2.890 8.313 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.383 2.016 9.575 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.498 3.896 11.099 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.966 5.001 9.822 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.177 4.514 10.208 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.885 2.829 9.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.588 3.088 12.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.998 2.496 12.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.281 4.128 12.452 1.00 0.00 H new ATOM 530 N TYR A 49 1.786 3.342 5.602 1.00 0.00 N ATOM 531 CA TYR A 49 3.117 3.779 5.093 1.00 0.00 C ATOM 532 C TYR A 49 3.094 5.257 4.707 1.00 0.00 C ATOM 533 O TYR A 49 2.126 5.761 4.174 1.00 0.00 O ATOM 534 CB TYR A 49 3.384 2.927 3.854 1.00 0.00 C ATOM 535 CG TYR A 49 3.611 1.494 4.259 1.00 0.00 C ATOM 536 CD1 TYR A 49 2.542 0.716 4.713 1.00 0.00 C ATOM 537 CD2 TYR A 49 4.893 0.944 4.183 1.00 0.00 C ATOM 538 CE1 TYR A 49 2.755 -0.613 5.095 1.00 0.00 C ATOM 539 CE2 TYR A 49 5.109 -0.386 4.562 1.00 0.00 C ATOM 540 CZ TYR A 49 4.038 -1.165 5.020 1.00 0.00 C ATOM 541 OH TYR A 49 4.249 -2.475 5.396 1.00 0.00 O ATOM 0 H TYR A 49 1.072 3.189 4.889 1.00 0.00 H new ATOM 0 HA TYR A 49 3.889 3.657 5.853 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.539 2.991 3.168 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.256 3.306 3.322 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.551 1.141 4.769 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.718 1.546 3.831 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.929 -1.213 5.448 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.100 -0.811 4.502 1.00 0.00 H new ATOM 0 HH TYR A 49 3.437 -2.998 5.229 1.00 0.00 H new ATOM 551 N LEU A 50 4.171 5.942 4.953 1.00 0.00 N ATOM 552 CA LEU A 50 4.249 7.383 4.585 1.00 0.00 C ATOM 553 C LEU A 50 5.103 7.513 3.326 1.00 0.00 C ATOM 554 O LEU A 50 6.309 7.646 3.393 1.00 0.00 O ATOM 555 CB LEU A 50 4.927 8.068 5.771 1.00 0.00 C ATOM 556 CG LEU A 50 4.121 9.304 6.173 1.00 0.00 C ATOM 557 CD1 LEU A 50 2.910 8.876 7.004 1.00 0.00 C ATOM 558 CD2 LEU A 50 5.004 10.239 7.002 1.00 0.00 C ATOM 0 H LEU A 50 5.008 5.565 5.397 1.00 0.00 H new ATOM 0 HA LEU A 50 3.275 7.828 4.382 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.998 7.378 6.612 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.945 8.354 5.506 1.00 0.00 H new ATOM 0 HG LEU A 50 3.781 9.824 5.277 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.336 9.757 7.290 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.281 8.209 6.414 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.249 8.357 7.900 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.431 11.121 7.289 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.344 9.719 7.898 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.867 10.544 6.410 1.00 0.00 H new ATOM 570 N VAL A 51 4.492 7.446 2.179 1.00 0.00 N ATOM 571 CA VAL A 51 5.280 7.533 0.918 1.00 0.00 C ATOM 572 C VAL A 51 4.993 8.841 0.182 1.00 0.00 C ATOM 573 O VAL A 51 3.877 9.318 0.170 1.00 0.00 O ATOM 574 CB VAL A 51 4.813 6.334 0.090 1.00 0.00 C ATOM 575 CG1 VAL A 51 5.021 5.046 0.893 1.00 0.00 C ATOM 576 CG2 VAL A 51 3.327 6.491 -0.242 1.00 0.00 C ATOM 0 H VAL A 51 3.485 7.335 2.058 1.00 0.00 H new ATOM 0 HA VAL A 51 6.354 7.518 1.103 1.00 0.00 H new ATOM 0 HB VAL A 51 5.390 6.285 -0.834 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.688 4.192 0.303 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.079 4.933 1.131 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.444 5.096 1.817 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.994 5.637 -0.832 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.751 6.541 0.682 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.177 7.407 -0.813 1.00 0.00 H new ATOM 586 N PRO A 52 6.023 9.371 -0.419 1.00 0.00 N ATOM 587 CA PRO A 52 5.892 10.633 -1.184 1.00 0.00 C ATOM 588 C PRO A 52 5.108 10.376 -2.477 1.00 0.00 C ATOM 589 O PRO A 52 5.148 9.295 -3.031 1.00 0.00 O ATOM 590 CB PRO A 52 7.342 11.028 -1.470 1.00 0.00 C ATOM 591 CG PRO A 52 8.107 9.746 -1.419 1.00 0.00 C ATOM 592 CD PRO A 52 7.393 8.848 -0.442 1.00 0.00 C ATOM 0 HA PRO A 52 5.351 11.417 -0.655 1.00 0.00 H new ATOM 0 HB2 PRO A 52 7.436 11.506 -2.445 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.711 11.738 -0.730 1.00 0.00 H new ATOM 0 HG2 PRO A 52 8.153 9.284 -2.405 1.00 0.00 H new ATOM 0 HG3 PRO A 52 9.135 9.922 -1.101 1.00 0.00 H new ATOM 0 HD2 PRO A 52 7.418 7.807 -0.764 1.00 0.00 H new ATOM 0 HD3 PRO A 52 7.852 8.887 0.546 1.00 0.00 H new ATOM 600 N SER A 53 4.379 11.349 -2.945 1.00 0.00 N ATOM 601 CA SER A 53 3.570 11.158 -4.185 1.00 0.00 C ATOM 602 C SER A 53 4.462 10.864 -5.396 1.00 0.00 C ATOM 603 O SER A 53 3.994 10.423 -6.428 1.00 0.00 O ATOM 604 CB SER A 53 2.839 12.484 -4.374 1.00 0.00 C ATOM 605 OG SER A 53 2.856 12.840 -5.750 1.00 0.00 O ATOM 0 H SER A 53 4.307 12.274 -2.521 1.00 0.00 H new ATOM 0 HA SER A 53 2.891 10.310 -4.097 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.811 12.399 -4.022 1.00 0.00 H new ATOM 0 HB3 SER A 53 3.316 13.263 -3.779 1.00 0.00 H new ATOM 0 HG SER A 53 2.385 13.691 -5.874 1.00 0.00 H new ATOM 611 N ASP A 54 5.733 11.119 -5.290 1.00 0.00 N ATOM 612 CA ASP A 54 6.644 10.870 -6.446 1.00 0.00 C ATOM 613 C ASP A 54 7.080 9.401 -6.501 1.00 0.00 C ATOM 614 O ASP A 54 7.622 8.948 -7.491 1.00 0.00 O ATOM 615 CB ASP A 54 7.851 11.775 -6.195 1.00 0.00 C ATOM 616 CG ASP A 54 8.577 12.035 -7.516 1.00 0.00 C ATOM 617 OD1 ASP A 54 7.916 12.043 -8.542 1.00 0.00 O ATOM 618 OD2 ASP A 54 9.782 12.222 -7.480 1.00 0.00 O ATOM 0 H ASP A 54 6.184 11.489 -4.454 1.00 0.00 H new ATOM 0 HA ASP A 54 6.156 11.080 -7.398 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.527 12.718 -5.754 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.529 11.306 -5.482 1.00 0.00 H new ATOM 623 N LEU A 55 6.865 8.651 -5.453 1.00 0.00 N ATOM 624 CA LEU A 55 7.291 7.219 -5.474 1.00 0.00 C ATOM 625 C LEU A 55 6.555 6.442 -6.562 1.00 0.00 C ATOM 626 O LEU A 55 5.389 6.658 -6.821 1.00 0.00 O ATOM 627 CB LEU A 55 6.916 6.646 -4.105 1.00 0.00 C ATOM 628 CG LEU A 55 8.166 6.496 -3.240 1.00 0.00 C ATOM 629 CD1 LEU A 55 7.843 5.615 -2.032 1.00 0.00 C ATOM 630 CD2 LEU A 55 9.288 5.835 -4.045 1.00 0.00 C ATOM 0 H LEU A 55 6.418 8.963 -4.591 1.00 0.00 H new ATOM 0 HA LEU A 55 8.358 7.140 -5.680 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.199 7.302 -3.611 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.431 5.678 -4.228 1.00 0.00 H new ATOM 0 HG LEU A 55 8.488 7.484 -2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.733 5.506 -1.413 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.048 6.077 -1.447 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.517 4.633 -2.375 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.174 5.733 -3.418 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.964 4.849 -4.379 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.526 6.451 -4.912 1.00 0.00 H new ATOM 642 N THR A 56 7.233 5.521 -7.185 1.00 0.00 N ATOM 643 CA THR A 56 6.585 4.700 -8.243 1.00 0.00 C ATOM 644 C THR A 56 5.987 3.430 -7.625 1.00 0.00 C ATOM 645 O THR A 56 6.263 3.090 -6.487 1.00 0.00 O ATOM 646 CB THR A 56 7.708 4.350 -9.221 1.00 0.00 C ATOM 647 OG1 THR A 56 8.909 4.118 -8.498 1.00 0.00 O ATOM 648 CG2 THR A 56 7.916 5.508 -10.200 1.00 0.00 C ATOM 0 H THR A 56 8.213 5.301 -7.006 1.00 0.00 H new ATOM 0 HA THR A 56 5.770 5.228 -8.739 1.00 0.00 H new ATOM 0 HB THR A 56 7.438 3.452 -9.777 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.629 3.892 -9.123 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.716 5.257 -10.896 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.995 5.685 -10.755 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.185 6.408 -9.647 1.00 0.00 H new ATOM 656 N VAL A 57 5.176 2.726 -8.362 1.00 0.00 N ATOM 657 CA VAL A 57 4.567 1.481 -7.817 1.00 0.00 C ATOM 658 C VAL A 57 5.660 0.458 -7.498 1.00 0.00 C ATOM 659 O VAL A 57 5.541 -0.325 -6.577 1.00 0.00 O ATOM 660 CB VAL A 57 3.660 0.967 -8.933 1.00 0.00 C ATOM 661 CG1 VAL A 57 3.077 -0.392 -8.538 1.00 0.00 C ATOM 662 CG2 VAL A 57 2.520 1.961 -9.161 1.00 0.00 C ATOM 0 H VAL A 57 4.908 2.958 -9.318 1.00 0.00 H new ATOM 0 HA VAL A 57 4.017 1.657 -6.893 1.00 0.00 H new ATOM 0 HB VAL A 57 4.241 0.859 -9.849 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.430 -0.756 -9.336 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.888 -1.102 -8.375 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.497 -0.287 -7.621 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.872 1.595 -9.957 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.942 2.068 -8.243 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.933 2.929 -9.445 1.00 0.00 H new ATOM 672 N GLY A 58 6.727 0.459 -8.252 1.00 0.00 N ATOM 673 CA GLY A 58 7.827 -0.510 -7.990 1.00 0.00 C ATOM 674 C GLY A 58 8.474 -0.204 -6.638 1.00 0.00 C ATOM 675 O GLY A 58 9.074 -1.059 -6.018 1.00 0.00 O ATOM 0 H GLY A 58 6.883 1.090 -9.038 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.437 -1.528 -7.995 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.573 -0.451 -8.783 1.00 0.00 H new ATOM 679 N GLN A 59 8.355 1.011 -6.171 1.00 0.00 N ATOM 680 CA GLN A 59 8.962 1.366 -4.854 1.00 0.00 C ATOM 681 C GLN A 59 8.050 0.895 -3.722 1.00 0.00 C ATOM 682 O GLN A 59 8.477 0.217 -2.802 1.00 0.00 O ATOM 683 CB GLN A 59 9.068 2.890 -4.861 1.00 0.00 C ATOM 684 CG GLN A 59 9.957 3.329 -6.024 1.00 0.00 C ATOM 685 CD GLN A 59 11.394 2.867 -5.774 1.00 0.00 C ATOM 686 OE1 GLN A 59 11.658 2.149 -4.831 1.00 0.00 O ATOM 687 NE2 GLN A 59 12.341 3.252 -6.586 1.00 0.00 N ATOM 0 H GLN A 59 7.865 1.771 -6.643 1.00 0.00 H new ATOM 0 HA GLN A 59 9.934 0.896 -4.702 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.077 3.334 -4.957 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.485 3.241 -3.917 1.00 0.00 H new ATOM 0 HG2 GLN A 59 9.586 2.907 -6.958 1.00 0.00 H new ATOM 0 HG3 GLN A 59 9.926 4.413 -6.130 1.00 0.00 H new ATOM 0 HE21 GLN A 59 12.120 3.855 -7.378 1.00 0.00 H new ATOM 0 HE22 GLN A 59 13.302 2.950 -6.428 1.00 0.00 H new ATOM 696 N PHE A 60 6.792 1.235 -3.783 1.00 0.00 N ATOM 697 CA PHE A 60 5.868 0.785 -2.704 1.00 0.00 C ATOM 698 C PHE A 60 5.854 -0.744 -2.663 1.00 0.00 C ATOM 699 O PHE A 60 5.754 -1.348 -1.614 1.00 0.00 O ATOM 700 CB PHE A 60 4.487 1.331 -3.070 1.00 0.00 C ATOM 701 CG PHE A 60 3.603 1.232 -1.852 1.00 0.00 C ATOM 702 CD1 PHE A 60 4.024 1.803 -0.645 1.00 0.00 C ATOM 703 CD2 PHE A 60 2.384 0.551 -1.917 1.00 0.00 C ATOM 704 CE1 PHE A 60 3.224 1.694 0.498 1.00 0.00 C ATOM 705 CE2 PHE A 60 1.587 0.437 -0.772 1.00 0.00 C ATOM 706 CZ PHE A 60 2.010 1.010 0.435 1.00 0.00 C ATOM 0 H PHE A 60 6.368 1.797 -4.522 1.00 0.00 H new ATOM 0 HA PHE A 60 6.174 1.143 -1.721 1.00 0.00 H new ATOM 0 HB2 PHE A 60 4.563 2.367 -3.401 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.060 0.763 -3.897 1.00 0.00 H new ATOM 0 HD1 PHE A 60 4.967 2.328 -0.596 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.058 0.114 -2.849 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.546 2.139 1.428 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.647 -0.092 -0.819 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.395 0.922 1.318 1.00 0.00 H new ATOM 716 N TYR A 61 5.984 -1.370 -3.799 1.00 0.00 N ATOM 717 CA TYR A 61 6.007 -2.858 -3.840 1.00 0.00 C ATOM 718 C TYR A 61 7.097 -3.388 -2.903 1.00 0.00 C ATOM 719 O TYR A 61 6.944 -4.409 -2.261 1.00 0.00 O ATOM 720 CB TYR A 61 6.361 -3.191 -5.289 1.00 0.00 C ATOM 721 CG TYR A 61 5.462 -4.292 -5.795 1.00 0.00 C ATOM 722 CD1 TYR A 61 5.756 -5.628 -5.500 1.00 0.00 C ATOM 723 CD2 TYR A 61 4.340 -3.975 -6.562 1.00 0.00 C ATOM 724 CE1 TYR A 61 4.923 -6.649 -5.974 1.00 0.00 C ATOM 725 CE2 TYR A 61 3.505 -4.994 -7.038 1.00 0.00 C ATOM 726 CZ TYR A 61 3.797 -6.332 -6.744 1.00 0.00 C ATOM 727 OH TYR A 61 2.975 -7.337 -7.212 1.00 0.00 O ATOM 0 H TYR A 61 6.076 -0.912 -4.706 1.00 0.00 H new ATOM 0 HA TYR A 61 5.062 -3.302 -3.525 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.251 -2.304 -5.913 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.404 -3.501 -5.356 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.625 -5.872 -4.907 1.00 0.00 H new ATOM 0 HD2 TYR A 61 4.115 -2.943 -6.789 1.00 0.00 H new ATOM 0 HE1 TYR A 61 5.149 -7.680 -5.746 1.00 0.00 H new ATOM 0 HE2 TYR A 61 2.637 -4.748 -7.631 1.00 0.00 H new ATOM 0 HH TYR A 61 2.901 -8.041 -6.534 1.00 0.00 H new ATOM 737 N PHE A 62 8.208 -2.704 -2.844 1.00 0.00 N ATOM 738 CA PHE A 62 9.338 -3.163 -1.985 1.00 0.00 C ATOM 739 C PHE A 62 9.078 -2.920 -0.492 1.00 0.00 C ATOM 740 O PHE A 62 9.264 -3.803 0.320 1.00 0.00 O ATOM 741 CB PHE A 62 10.536 -2.338 -2.453 1.00 0.00 C ATOM 742 CG PHE A 62 11.800 -3.146 -2.287 1.00 0.00 C ATOM 743 CD1 PHE A 62 11.876 -4.443 -2.809 1.00 0.00 C ATOM 744 CD2 PHE A 62 12.896 -2.599 -1.609 1.00 0.00 C ATOM 745 CE1 PHE A 62 13.049 -5.192 -2.654 1.00 0.00 C ATOM 746 CE2 PHE A 62 14.068 -3.348 -1.454 1.00 0.00 C ATOM 747 CZ PHE A 62 14.144 -4.645 -1.977 1.00 0.00 C ATOM 0 H PHE A 62 8.382 -1.840 -3.358 1.00 0.00 H new ATOM 0 HA PHE A 62 9.491 -4.238 -2.082 1.00 0.00 H new ATOM 0 HB2 PHE A 62 10.409 -2.053 -3.497 1.00 0.00 H new ATOM 0 HB3 PHE A 62 10.603 -1.415 -1.876 1.00 0.00 H new ATOM 0 HD1 PHE A 62 11.030 -4.866 -3.331 1.00 0.00 H new ATOM 0 HD2 PHE A 62 12.837 -1.599 -1.206 1.00 0.00 H new ATOM 0 HE1 PHE A 62 13.108 -6.192 -3.057 1.00 0.00 H new ATOM 0 HE2 PHE A 62 14.914 -2.926 -0.931 1.00 0.00 H new ATOM 0 HZ PHE A 62 15.048 -5.223 -1.858 1.00 0.00 H new ATOM 757 N LEU A 63 8.700 -1.731 -0.104 1.00 0.00 N ATOM 758 CA LEU A 63 8.504 -1.489 1.364 1.00 0.00 C ATOM 759 C LEU A 63 7.458 -2.432 1.981 1.00 0.00 C ATOM 760 O LEU A 63 7.659 -2.924 3.075 1.00 0.00 O ATOM 761 CB LEU A 63 8.118 -0.015 1.560 1.00 0.00 C ATOM 762 CG LEU A 63 7.061 0.447 0.555 1.00 0.00 C ATOM 763 CD1 LEU A 63 5.707 0.557 1.259 1.00 0.00 C ATOM 764 CD2 LEU A 63 7.478 1.826 0.029 1.00 0.00 C ATOM 0 H LEU A 63 8.522 -0.935 -0.716 1.00 0.00 H new ATOM 0 HA LEU A 63 9.436 -1.704 1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.740 0.128 2.572 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.007 0.607 1.461 1.00 0.00 H new ATOM 0 HG LEU A 63 6.978 -0.264 -0.267 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.952 0.886 0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.426 -0.416 1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.777 1.280 2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.740 2.179 -0.691 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.540 2.529 0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.451 1.751 -0.456 1.00 0.00 H new ATOM 776 N ILE A 64 6.364 -2.730 1.325 1.00 0.00 N ATOM 777 CA ILE A 64 5.403 -3.681 1.977 1.00 0.00 C ATOM 778 C ILE A 64 5.971 -5.098 1.880 1.00 0.00 C ATOM 779 O ILE A 64 5.863 -5.885 2.799 1.00 0.00 O ATOM 780 CB ILE A 64 4.051 -3.618 1.248 1.00 0.00 C ATOM 781 CG1 ILE A 64 3.817 -2.241 0.610 1.00 0.00 C ATOM 782 CG2 ILE A 64 2.942 -3.908 2.264 1.00 0.00 C ATOM 783 CD1 ILE A 64 2.326 -2.049 0.306 1.00 0.00 C ATOM 0 H ILE A 64 6.099 -2.376 0.406 1.00 0.00 H new ATOM 0 HA ILE A 64 5.261 -3.410 3.023 1.00 0.00 H new ATOM 0 HB ILE A 64 4.048 -4.357 0.447 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.163 -1.456 1.282 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.398 -2.153 -0.308 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.973 -3.868 1.766 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.090 -4.900 2.691 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.973 -3.163 3.059 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.170 -1.070 -0.146 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.992 -2.824 -0.384 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.754 -2.116 1.232 1.00 0.00 H new ATOM 795 N ARG A 65 6.579 -5.424 0.766 1.00 0.00 N ATOM 796 CA ARG A 65 7.165 -6.789 0.597 1.00 0.00 C ATOM 797 C ARG A 65 7.817 -7.256 1.902 1.00 0.00 C ATOM 798 O ARG A 65 7.458 -8.276 2.454 1.00 0.00 O ATOM 799 CB ARG A 65 8.218 -6.634 -0.502 1.00 0.00 C ATOM 800 CG ARG A 65 7.575 -6.865 -1.869 1.00 0.00 C ATOM 801 CD ARG A 65 7.832 -8.304 -2.318 1.00 0.00 C ATOM 802 NE ARG A 65 8.498 -8.179 -3.644 1.00 0.00 N ATOM 803 CZ ARG A 65 8.771 -9.250 -4.339 1.00 0.00 C ATOM 804 NH1 ARG A 65 7.952 -10.265 -4.322 1.00 0.00 N ATOM 805 NH2 ARG A 65 9.863 -9.303 -5.050 1.00 0.00 N ATOM 0 H ARG A 65 6.695 -4.802 -0.034 1.00 0.00 H new ATOM 0 HA ARG A 65 6.410 -7.531 0.339 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.657 -5.637 -0.460 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.028 -7.346 -0.346 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.503 -6.676 -1.815 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.985 -6.167 -2.598 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.466 -8.833 -1.606 1.00 0.00 H new ATOM 0 HD3 ARG A 65 6.901 -8.866 -2.395 1.00 0.00 H new ATOM 0 HE ARG A 65 8.741 -7.258 -4.009 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.098 -10.222 -3.766 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.165 -11.102 -4.865 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.502 -8.508 -5.063 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.078 -10.139 -5.593 1.00 0.00 H new ATOM 817 N LYS A 66 8.771 -6.521 2.404 1.00 0.00 N ATOM 818 CA LYS A 66 9.432 -6.933 3.675 1.00 0.00 C ATOM 819 C LYS A 66 8.427 -6.880 4.825 1.00 0.00 C ATOM 820 O LYS A 66 8.468 -7.682 5.737 1.00 0.00 O ATOM 821 CB LYS A 66 10.551 -5.912 3.893 1.00 0.00 C ATOM 822 CG LYS A 66 11.891 -6.530 3.491 1.00 0.00 C ATOM 823 CD LYS A 66 12.173 -6.224 2.019 1.00 0.00 C ATOM 824 CE LYS A 66 13.625 -6.578 1.693 1.00 0.00 C ATOM 825 NZ LYS A 66 13.545 -7.482 0.513 1.00 0.00 N ATOM 0 H LYS A 66 9.121 -5.656 1.991 1.00 0.00 H new ATOM 0 HA LYS A 66 9.817 -7.952 3.631 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.360 -5.016 3.303 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.579 -5.605 4.939 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.690 -6.131 4.116 1.00 0.00 H new ATOM 0 HG3 LYS A 66 11.869 -7.608 3.652 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.497 -6.794 1.382 1.00 0.00 H new ATOM 0 HD3 LYS A 66 11.990 -5.169 1.814 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.208 -5.685 1.467 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.110 -7.071 2.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 14.504 -7.768 0.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.990 -8.326 0.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 13.085 -6.984 -0.276 1.00 0.00 H new ATOM 839 N ARG A 67 7.520 -5.945 4.787 1.00 0.00 N ATOM 840 CA ARG A 67 6.509 -5.847 5.873 1.00 0.00 C ATOM 841 C ARG A 67 5.534 -7.022 5.782 1.00 0.00 C ATOM 842 O ARG A 67 4.730 -7.247 6.665 1.00 0.00 O ATOM 843 CB ARG A 67 5.788 -4.523 5.621 1.00 0.00 C ATOM 844 CG ARG A 67 6.798 -3.376 5.685 1.00 0.00 C ATOM 845 CD ARG A 67 7.225 -3.152 7.138 1.00 0.00 C ATOM 846 NE ARG A 67 8.526 -3.865 7.271 1.00 0.00 N ATOM 847 CZ ARG A 67 9.235 -3.730 8.358 1.00 0.00 C ATOM 848 NH1 ARG A 67 9.833 -2.599 8.612 1.00 0.00 N ATOM 849 NH2 ARG A 67 9.346 -4.729 9.192 1.00 0.00 N ATOM 0 H ARG A 67 7.436 -5.245 4.050 1.00 0.00 H new ATOM 0 HA ARG A 67 6.956 -5.880 6.867 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.302 -4.541 4.646 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.005 -4.375 6.365 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.668 -3.609 5.071 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.356 -2.465 5.280 1.00 0.00 H new ATOM 0 HD2 ARG A 67 7.332 -2.090 7.359 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.485 -3.549 7.833 1.00 0.00 H new ATOM 0 HE ARG A 67 8.862 -4.458 6.513 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.747 -1.819 7.961 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.387 -2.495 9.462 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.879 -5.614 8.993 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.900 -4.625 10.042 1.00 0.00 H new ATOM 861 N ILE A 68 5.607 -7.780 4.720 1.00 0.00 N ATOM 862 CA ILE A 68 4.696 -8.947 4.570 1.00 0.00 C ATOM 863 C ILE A 68 5.436 -10.231 4.945 1.00 0.00 C ATOM 864 O ILE A 68 4.915 -11.319 4.817 1.00 0.00 O ATOM 865 CB ILE A 68 4.313 -8.954 3.092 1.00 0.00 C ATOM 866 CG1 ILE A 68 3.375 -7.779 2.809 1.00 0.00 C ATOM 867 CG2 ILE A 68 3.604 -10.264 2.749 1.00 0.00 C ATOM 868 CD1 ILE A 68 3.101 -7.695 1.311 1.00 0.00 C ATOM 0 H ILE A 68 6.260 -7.639 3.950 1.00 0.00 H new ATOM 0 HA ILE A 68 3.819 -8.885 5.215 1.00 0.00 H new ATOM 0 HB ILE A 68 5.213 -8.862 2.484 1.00 0.00 H new ATOM 0 HG12 ILE A 68 2.440 -7.907 3.354 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.823 -6.850 3.160 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.332 -10.265 1.693 1.00 0.00 H new ATOM 0 HG22 ILE A 68 4.270 -11.102 2.953 1.00 0.00 H new ATOM 0 HG23 ILE A 68 2.703 -10.360 3.356 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.433 -6.858 1.110 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.040 -7.546 0.777 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.635 -8.621 0.974 1.00 0.00 H new ATOM 880 N HIS A 69 6.652 -10.109 5.405 1.00 0.00 N ATOM 881 CA HIS A 69 7.431 -11.315 5.791 1.00 0.00 C ATOM 882 C HIS A 69 7.614 -12.235 4.588 1.00 0.00 C ATOM 883 O HIS A 69 7.764 -13.434 4.721 1.00 0.00 O ATOM 884 CB HIS A 69 6.601 -11.995 6.877 1.00 0.00 C ATOM 885 CG HIS A 69 7.459 -12.237 8.089 1.00 0.00 C ATOM 886 ND1 HIS A 69 8.840 -12.320 8.015 1.00 0.00 N ATOM 887 CD2 HIS A 69 7.143 -12.417 9.413 1.00 0.00 C ATOM 888 CE1 HIS A 69 9.301 -12.541 9.260 1.00 0.00 C ATOM 889 NE2 HIS A 69 8.307 -12.609 10.150 1.00 0.00 N ATOM 0 H HIS A 69 7.139 -9.221 5.530 1.00 0.00 H new ATOM 0 HA HIS A 69 8.431 -11.065 6.146 1.00 0.00 H new ATOM 0 HB2 HIS A 69 5.748 -11.370 7.142 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.202 -12.939 6.507 1.00 0.00 H new ATOM 0 HD2 HIS A 69 6.143 -12.411 9.820 1.00 0.00 H new ATOM 0 HE1 HIS A 69 10.346 -12.650 9.509 1.00 0.00 H new ATOM 0 HE2 HIS A 69 8.385 -12.768 11.155 1.00 0.00 H new ATOM 897 N LEU A 70 7.620 -11.677 3.414 1.00 0.00 N ATOM 898 CA LEU A 70 7.814 -12.511 2.194 1.00 0.00 C ATOM 899 C LEU A 70 9.130 -12.129 1.514 1.00 0.00 C ATOM 900 O LEU A 70 9.636 -11.040 1.697 1.00 0.00 O ATOM 901 CB LEU A 70 6.615 -12.217 1.289 1.00 0.00 C ATOM 902 CG LEU A 70 6.625 -10.750 0.848 1.00 0.00 C ATOM 903 CD1 LEU A 70 7.643 -10.559 -0.277 1.00 0.00 C ATOM 904 CD2 LEU A 70 5.234 -10.368 0.339 1.00 0.00 C ATOM 0 H LEU A 70 7.499 -10.679 3.243 1.00 0.00 H new ATOM 0 HA LEU A 70 7.871 -13.575 2.425 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.644 -12.866 0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.689 -12.438 1.819 1.00 0.00 H new ATOM 0 HG LEU A 70 6.896 -10.118 1.694 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.649 -9.515 -0.589 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.635 -10.837 0.079 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.372 -11.189 -1.124 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.236 -9.325 0.024 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.969 -11.002 -0.507 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.504 -10.505 1.137 1.00 0.00 H new ATOM 916 N ARG A 71 9.697 -13.017 0.746 1.00 0.00 N ATOM 917 CA ARG A 71 10.993 -12.692 0.080 1.00 0.00 C ATOM 918 C ARG A 71 11.311 -13.704 -1.026 1.00 0.00 C ATOM 919 O ARG A 71 10.478 -14.495 -1.418 1.00 0.00 O ATOM 920 CB ARG A 71 12.025 -12.784 1.210 1.00 0.00 C ATOM 921 CG ARG A 71 12.317 -14.257 1.535 1.00 0.00 C ATOM 922 CD ARG A 71 13.829 -14.494 1.509 1.00 0.00 C ATOM 923 NE ARG A 71 14.195 -14.789 2.922 1.00 0.00 N ATOM 924 CZ ARG A 71 14.388 -16.022 3.302 1.00 0.00 C ATOM 925 NH1 ARG A 71 13.686 -16.985 2.774 1.00 0.00 N ATOM 926 NH2 ARG A 71 15.286 -16.292 4.211 1.00 0.00 N ATOM 0 H ARG A 71 9.325 -13.946 0.551 1.00 0.00 H new ATOM 0 HA ARG A 71 10.980 -11.714 -0.401 1.00 0.00 H new ATOM 0 HB2 ARG A 71 12.945 -12.279 0.916 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.651 -12.274 2.098 1.00 0.00 H new ATOM 0 HG2 ARG A 71 11.915 -14.511 2.516 1.00 0.00 H new ATOM 0 HG3 ARG A 71 11.824 -14.905 0.811 1.00 0.00 H new ATOM 0 HD2 ARG A 71 14.087 -15.325 0.852 1.00 0.00 H new ATOM 0 HD3 ARG A 71 14.360 -13.617 1.138 1.00 0.00 H new ATOM 0 HE ARG A 71 14.295 -14.027 3.593 1.00 0.00 H new ATOM 0 HH11 ARG A 71 12.985 -16.775 2.063 1.00 0.00 H new ATOM 0 HH12 ARG A 71 13.837 -17.949 3.072 1.00 0.00 H new ATOM 0 HH21 ARG A 71 15.836 -15.539 4.624 1.00 0.00 H new ATOM 0 HH22 ARG A 71 15.437 -17.256 4.508 1.00 0.00 H new ATOM 938 N ALA A 72 12.525 -13.698 -1.511 1.00 0.00 N ATOM 939 CA ALA A 72 12.920 -14.668 -2.571 1.00 0.00 C ATOM 940 C ALA A 72 11.986 -14.572 -3.776 1.00 0.00 C ATOM 941 O ALA A 72 12.256 -13.864 -4.727 1.00 0.00 O ATOM 942 CB ALA A 72 12.800 -16.041 -1.910 1.00 0.00 C ATOM 0 H ALA A 72 13.263 -13.059 -1.216 1.00 0.00 H new ATOM 0 HA ALA A 72 13.925 -14.474 -2.945 1.00 0.00 H new ATOM 0 HB1 ALA A 72 13.075 -16.815 -2.627 1.00 0.00 H new ATOM 0 HB2 ALA A 72 13.467 -16.090 -1.049 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.773 -16.198 -1.582 1.00 0.00 H new ATOM 948 N GLU A 73 10.899 -15.291 -3.757 1.00 0.00 N ATOM 949 CA GLU A 73 9.968 -15.247 -4.921 1.00 0.00 C ATOM 950 C GLU A 73 8.527 -15.544 -4.491 1.00 0.00 C ATOM 951 O GLU A 73 7.728 -16.024 -5.271 1.00 0.00 O ATOM 952 CB GLU A 73 10.496 -16.330 -5.863 1.00 0.00 C ATOM 953 CG GLU A 73 9.955 -17.704 -5.449 1.00 0.00 C ATOM 954 CD GLU A 73 10.755 -18.802 -6.154 1.00 0.00 C ATOM 955 OE1 GLU A 73 11.339 -18.513 -7.185 1.00 0.00 O ATOM 956 OE2 GLU A 73 10.769 -19.913 -5.648 1.00 0.00 O ATOM 0 H GLU A 73 10.615 -15.903 -2.992 1.00 0.00 H new ATOM 0 HA GLU A 73 9.937 -14.264 -5.391 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.198 -16.108 -6.888 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.586 -16.339 -5.843 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.027 -17.824 -4.368 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.900 -17.784 -5.709 1.00 0.00 H new ATOM 963 N ASP A 74 8.181 -15.262 -3.267 1.00 0.00 N ATOM 964 CA ASP A 74 6.788 -15.533 -2.818 1.00 0.00 C ATOM 965 C ASP A 74 5.802 -14.863 -3.763 1.00 0.00 C ATOM 966 O ASP A 74 6.167 -14.161 -4.685 1.00 0.00 O ATOM 967 CB ASP A 74 6.699 -14.950 -1.398 1.00 0.00 C ATOM 968 CG ASP A 74 5.309 -14.362 -1.115 1.00 0.00 C ATOM 969 OD1 ASP A 74 4.435 -15.121 -0.730 1.00 0.00 O ATOM 970 OD2 ASP A 74 5.148 -13.166 -1.289 1.00 0.00 O ATOM 0 H ASP A 74 8.798 -14.858 -2.562 1.00 0.00 H new ATOM 0 HA ASP A 74 6.544 -16.595 -2.819 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.920 -15.730 -0.669 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.455 -14.175 -1.274 1.00 0.00 H new ATOM 975 N ALA A 75 4.555 -15.084 -3.523 1.00 0.00 N ATOM 976 CA ALA A 75 3.500 -14.475 -4.383 1.00 0.00 C ATOM 977 C ALA A 75 2.955 -13.207 -3.722 1.00 0.00 C ATOM 978 O ALA A 75 2.798 -13.145 -2.519 1.00 0.00 O ATOM 979 CB ALA A 75 2.407 -15.536 -4.490 1.00 0.00 C ATOM 0 H ALA A 75 4.207 -15.666 -2.761 1.00 0.00 H new ATOM 0 HA ALA A 75 3.881 -14.188 -5.363 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.594 -15.159 -5.110 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.819 -16.439 -4.941 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.027 -15.769 -3.495 1.00 0.00 H new ATOM 985 N LEU A 76 2.667 -12.196 -4.494 1.00 0.00 N ATOM 986 CA LEU A 76 2.135 -10.941 -3.893 1.00 0.00 C ATOM 987 C LEU A 76 1.463 -10.069 -4.952 1.00 0.00 C ATOM 988 O LEU A 76 1.803 -10.103 -6.117 1.00 0.00 O ATOM 989 CB LEU A 76 3.354 -10.224 -3.317 1.00 0.00 C ATOM 990 CG LEU A 76 2.990 -8.777 -2.968 1.00 0.00 C ATOM 991 CD1 LEU A 76 2.141 -8.756 -1.697 1.00 0.00 C ATOM 992 CD2 LEU A 76 4.273 -7.976 -2.733 1.00 0.00 C ATOM 0 H LEU A 76 2.776 -12.184 -5.508 1.00 0.00 H new ATOM 0 HA LEU A 76 1.381 -11.150 -3.134 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.706 -10.745 -2.426 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.171 -10.239 -4.039 1.00 0.00 H new ATOM 0 HG LEU A 76 2.426 -8.335 -3.789 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.882 -7.727 -1.449 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.229 -9.330 -1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.706 -9.196 -0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.018 -6.946 -2.484 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.834 -8.420 -1.910 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.882 -7.991 -3.637 1.00 0.00 H new ATOM 1004 N PHE A 77 0.519 -9.277 -4.534 1.00 0.00 N ATOM 1005 CA PHE A 77 -0.193 -8.372 -5.476 1.00 0.00 C ATOM 1006 C PHE A 77 -0.882 -7.254 -4.688 1.00 0.00 C ATOM 1007 O PHE A 77 -1.714 -7.507 -3.838 1.00 0.00 O ATOM 1008 CB PHE A 77 -1.233 -9.248 -6.169 1.00 0.00 C ATOM 1009 CG PHE A 77 -0.548 -10.205 -7.114 1.00 0.00 C ATOM 1010 CD1 PHE A 77 -0.172 -9.778 -8.393 1.00 0.00 C ATOM 1011 CD2 PHE A 77 -0.289 -11.519 -6.710 1.00 0.00 C ATOM 1012 CE1 PHE A 77 0.466 -10.667 -9.268 1.00 0.00 C ATOM 1013 CE2 PHE A 77 0.347 -12.408 -7.585 1.00 0.00 C ATOM 1014 CZ PHE A 77 0.725 -11.981 -8.864 1.00 0.00 C ATOM 0 H PHE A 77 0.206 -9.217 -3.565 1.00 0.00 H new ATOM 0 HA PHE A 77 0.482 -7.904 -6.193 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.807 -9.803 -5.427 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.940 -8.625 -6.717 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.374 -8.764 -8.705 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.580 -11.848 -5.723 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.758 -10.338 -10.254 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.546 -13.423 -7.274 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.217 -12.666 -9.539 1.00 0.00 H new ATOM 1024 N PHE A 78 -0.544 -6.023 -4.954 1.00 0.00 N ATOM 1025 CA PHE A 78 -1.185 -4.901 -4.208 1.00 0.00 C ATOM 1026 C PHE A 78 -2.460 -4.449 -4.923 1.00 0.00 C ATOM 1027 O PHE A 78 -2.422 -3.968 -6.039 1.00 0.00 O ATOM 1028 CB PHE A 78 -0.150 -3.777 -4.200 1.00 0.00 C ATOM 1029 CG PHE A 78 1.056 -4.203 -3.396 1.00 0.00 C ATOM 1030 CD1 PHE A 78 0.978 -4.301 -2.001 1.00 0.00 C ATOM 1031 CD2 PHE A 78 2.256 -4.498 -4.050 1.00 0.00 C ATOM 1032 CE1 PHE A 78 2.104 -4.697 -1.265 1.00 0.00 C ATOM 1033 CE2 PHE A 78 3.377 -4.892 -3.312 1.00 0.00 C ATOM 1034 CZ PHE A 78 3.301 -4.992 -1.921 1.00 0.00 C ATOM 0 H PHE A 78 0.145 -5.745 -5.652 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.472 -5.194 -3.198 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.148 -3.536 -5.221 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.584 -2.873 -3.772 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.053 -4.072 -1.493 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.317 -4.422 -5.126 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.045 -4.774 -0.189 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.303 -5.119 -3.819 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.167 -5.297 -1.353 1.00 0.00 H new ATOM 1044 N PHE A 79 -3.586 -4.591 -4.283 1.00 0.00 N ATOM 1045 CA PHE A 79 -4.865 -4.163 -4.911 1.00 0.00 C ATOM 1046 C PHE A 79 -5.378 -2.904 -4.216 1.00 0.00 C ATOM 1047 O PHE A 79 -5.530 -2.865 -3.012 1.00 0.00 O ATOM 1048 CB PHE A 79 -5.836 -5.317 -4.683 1.00 0.00 C ATOM 1049 CG PHE A 79 -5.235 -6.607 -5.195 1.00 0.00 C ATOM 1050 CD1 PHE A 79 -4.431 -7.395 -4.359 1.00 0.00 C ATOM 1051 CD2 PHE A 79 -5.490 -7.019 -6.509 1.00 0.00 C ATOM 1052 CE1 PHE A 79 -3.883 -8.591 -4.839 1.00 0.00 C ATOM 1053 CE2 PHE A 79 -4.941 -8.215 -6.987 1.00 0.00 C ATOM 1054 CZ PHE A 79 -4.138 -9.001 -6.153 1.00 0.00 C ATOM 0 H PHE A 79 -3.675 -4.987 -3.347 1.00 0.00 H new ATOM 0 HA PHE A 79 -4.748 -3.936 -5.971 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.063 -5.408 -3.621 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -6.778 -5.117 -5.194 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -4.234 -7.080 -3.345 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -6.110 -6.414 -7.154 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.263 -9.197 -4.195 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -5.138 -8.531 -8.001 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.715 -9.923 -6.523 1.00 0.00 H new ATOM 1064 N VAL A 80 -5.639 -1.876 -4.962 1.00 0.00 N ATOM 1065 CA VAL A 80 -6.137 -0.615 -4.341 1.00 0.00 C ATOM 1066 C VAL A 80 -7.501 -0.235 -4.928 1.00 0.00 C ATOM 1067 O VAL A 80 -7.681 -0.192 -6.128 1.00 0.00 O ATOM 1068 CB VAL A 80 -5.091 0.455 -4.674 1.00 0.00 C ATOM 1069 CG1 VAL A 80 -5.152 1.561 -3.621 1.00 0.00 C ATOM 1070 CG2 VAL A 80 -3.685 -0.159 -4.670 1.00 0.00 C ATOM 0 H VAL A 80 -5.531 -1.849 -5.976 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.271 -0.721 -3.264 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.302 0.862 -5.663 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.410 2.325 -3.853 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.146 2.009 -3.621 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.944 1.139 -2.638 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.951 0.611 -4.908 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.471 -0.572 -3.684 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.633 -0.953 -5.415 1.00 0.00 H new ATOM 1080 N ASN A 81 -8.461 0.044 -4.088 1.00 0.00 N ATOM 1081 CA ASN A 81 -9.810 0.425 -4.597 1.00 0.00 C ATOM 1082 C ASN A 81 -10.303 -0.602 -5.620 1.00 0.00 C ATOM 1083 O ASN A 81 -10.930 -0.261 -6.603 1.00 0.00 O ATOM 1084 CB ASN A 81 -9.612 1.789 -5.259 1.00 0.00 C ATOM 1085 CG ASN A 81 -10.971 2.364 -5.660 1.00 0.00 C ATOM 1086 OD1 ASN A 81 -11.992 1.964 -5.136 1.00 0.00 O ATOM 1087 ND2 ASN A 81 -11.029 3.295 -6.574 1.00 0.00 N ATOM 0 H ASN A 81 -8.370 0.025 -3.072 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.555 0.461 -3.802 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.106 2.468 -4.573 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -8.974 1.690 -6.137 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -11.931 3.686 -6.847 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -10.173 3.631 -7.014 1.00 0.00 H new ATOM 1094 N ASN A 82 -10.027 -1.858 -5.395 1.00 0.00 N ATOM 1095 CA ASN A 82 -10.483 -2.904 -6.354 1.00 0.00 C ATOM 1096 C ASN A 82 -9.789 -2.726 -7.707 1.00 0.00 C ATOM 1097 O ASN A 82 -10.376 -2.941 -8.749 1.00 0.00 O ATOM 1098 CB ASN A 82 -11.991 -2.685 -6.493 1.00 0.00 C ATOM 1099 CG ASN A 82 -12.642 -3.953 -7.045 1.00 0.00 C ATOM 1100 OD1 ASN A 82 -12.170 -5.047 -6.804 1.00 0.00 O ATOM 1101 ND2 ASN A 82 -13.715 -3.854 -7.782 1.00 0.00 N ATOM 0 H ASN A 82 -9.506 -2.205 -4.589 1.00 0.00 H new ATOM 0 HA ASN A 82 -10.246 -3.910 -6.007 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -12.423 -2.434 -5.525 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -12.187 -1.844 -7.158 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -14.157 -4.694 -8.155 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -14.112 -2.936 -7.985 1.00 0.00 H new ATOM 1108 N VAL A 83 -8.544 -2.337 -7.700 1.00 0.00 N ATOM 1109 CA VAL A 83 -7.816 -2.149 -8.990 1.00 0.00 C ATOM 1110 C VAL A 83 -6.422 -2.777 -8.902 1.00 0.00 C ATOM 1111 O VAL A 83 -5.949 -3.107 -7.832 1.00 0.00 O ATOM 1112 CB VAL A 83 -7.707 -0.633 -9.181 1.00 0.00 C ATOM 1113 CG1 VAL A 83 -7.455 -0.319 -10.658 1.00 0.00 C ATOM 1114 CG2 VAL A 83 -9.007 0.043 -8.737 1.00 0.00 C ATOM 0 H VAL A 83 -7.999 -2.141 -6.860 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.333 -2.624 -9.824 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.880 -0.257 -8.579 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.378 0.760 -10.793 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.526 -0.792 -10.977 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.281 -0.701 -11.257 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -8.922 1.121 -8.876 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.836 -0.336 -9.334 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.189 -0.174 -7.685 1.00 0.00 H new ATOM 1124 N ILE A 84 -5.760 -2.928 -10.019 1.00 0.00 N ATOM 1125 CA ILE A 84 -4.395 -3.534 -10.022 1.00 0.00 C ATOM 1126 C ILE A 84 -3.621 -3.049 -11.253 1.00 0.00 C ATOM 1127 O ILE A 84 -3.416 -3.795 -12.190 1.00 0.00 O ATOM 1128 CB ILE A 84 -4.603 -5.051 -10.145 1.00 0.00 C ATOM 1129 CG1 ILE A 84 -5.808 -5.518 -9.320 1.00 0.00 C ATOM 1130 CG2 ILE A 84 -3.349 -5.772 -9.649 1.00 0.00 C ATOM 1131 CD1 ILE A 84 -7.102 -5.227 -10.084 1.00 0.00 C ATOM 0 H ILE A 84 -6.110 -2.655 -10.938 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.840 -3.263 -9.124 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.791 -5.286 -11.193 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.728 -6.585 -9.114 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.821 -5.008 -8.357 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.491 -6.849 -9.734 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.493 -5.470 -10.253 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.168 -5.511 -8.606 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -7.956 -5.561 -9.494 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.184 -4.156 -10.267 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.090 -5.757 -11.036 1.00 0.00 H new ATOM 1143 N PRO A 85 -3.220 -1.809 -11.207 1.00 0.00 N ATOM 1144 CA PRO A 85 -2.463 -1.211 -12.334 1.00 0.00 C ATOM 1145 C PRO A 85 -1.028 -1.750 -12.365 1.00 0.00 C ATOM 1146 O PRO A 85 -0.557 -2.321 -11.403 1.00 0.00 O ATOM 1147 CB PRO A 85 -2.473 0.282 -12.018 1.00 0.00 C ATOM 1148 CG PRO A 85 -2.653 0.365 -10.536 1.00 0.00 C ATOM 1149 CD PRO A 85 -3.432 -0.855 -10.113 1.00 0.00 C ATOM 0 HA PRO A 85 -2.894 -1.441 -13.308 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -1.543 0.757 -12.329 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.282 0.791 -12.543 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.687 0.398 -10.032 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -3.186 1.276 -10.264 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -3.070 -1.250 -9.164 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -4.490 -0.627 -9.981 1.00 0.00 H new ATOM 1157 N PRO A 86 -0.384 -1.542 -13.481 1.00 0.00 N ATOM 1158 CA PRO A 86 1.016 -2.004 -13.655 1.00 0.00 C ATOM 1159 C PRO A 86 1.964 -1.144 -12.819 1.00 0.00 C ATOM 1160 O PRO A 86 1.548 -0.250 -12.111 1.00 0.00 O ATOM 1161 CB PRO A 86 1.273 -1.807 -15.148 1.00 0.00 C ATOM 1162 CG PRO A 86 0.313 -0.741 -15.568 1.00 0.00 C ATOM 1163 CD PRO A 86 -0.894 -0.862 -14.676 1.00 0.00 C ATOM 0 HA PRO A 86 1.175 -3.033 -13.333 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.304 -1.506 -15.335 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.105 -2.730 -15.703 1.00 0.00 H new ATOM 0 HG2 PRO A 86 0.766 0.246 -15.473 1.00 0.00 H new ATOM 0 HG3 PRO A 86 0.034 -0.864 -16.614 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.310 0.116 -14.432 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -1.688 -1.436 -15.154 1.00 0.00 H new ATOM 1171 N THR A 87 3.239 -1.410 -12.894 1.00 0.00 N ATOM 1172 CA THR A 87 4.213 -0.604 -12.100 1.00 0.00 C ATOM 1173 C THR A 87 4.600 0.672 -12.851 1.00 0.00 C ATOM 1174 O THR A 87 5.613 1.285 -12.578 1.00 0.00 O ATOM 1175 CB THR A 87 5.439 -1.499 -11.914 1.00 0.00 C ATOM 1176 OG1 THR A 87 5.547 -2.399 -13.009 1.00 0.00 O ATOM 1177 CG2 THR A 87 5.310 -2.287 -10.610 1.00 0.00 C ATOM 0 H THR A 87 3.649 -2.147 -13.468 1.00 0.00 H new ATOM 0 HA THR A 87 3.787 -0.295 -11.145 1.00 0.00 H new ATOM 0 HB THR A 87 6.333 -0.877 -11.871 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.334 -2.969 -12.887 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.186 -2.923 -10.481 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.239 -1.594 -9.772 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.414 -2.906 -10.646 1.00 0.00 H new ATOM 1185 N SER A 88 3.796 1.074 -13.787 1.00 0.00 N ATOM 1186 CA SER A 88 4.097 2.313 -14.560 1.00 0.00 C ATOM 1187 C SER A 88 3.313 3.490 -13.973 1.00 0.00 C ATOM 1188 O SER A 88 2.759 4.302 -14.688 1.00 0.00 O ATOM 1189 CB SER A 88 3.635 2.015 -15.986 1.00 0.00 C ATOM 1190 OG SER A 88 3.806 0.630 -16.253 1.00 0.00 O ATOM 0 H SER A 88 2.935 0.597 -14.055 1.00 0.00 H new ATOM 0 HA SER A 88 5.153 2.580 -14.527 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.589 2.294 -16.108 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.208 2.608 -16.698 1.00 0.00 H new ATOM 0 HG SER A 88 3.509 0.434 -17.166 1.00 0.00 H new ATOM 1196 N ALA A 89 3.258 3.577 -12.674 1.00 0.00 N ATOM 1197 CA ALA A 89 2.507 4.688 -12.023 1.00 0.00 C ATOM 1198 C ALA A 89 3.208 5.113 -10.737 1.00 0.00 C ATOM 1199 O ALA A 89 4.279 4.642 -10.411 1.00 0.00 O ATOM 1200 CB ALA A 89 1.129 4.104 -11.712 1.00 0.00 C ATOM 0 H ALA A 89 3.703 2.923 -12.031 1.00 0.00 H new ATOM 0 HA ALA A 89 2.442 5.572 -12.658 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.513 4.863 -11.229 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.652 3.784 -12.638 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.238 3.248 -11.046 1.00 0.00 H new ATOM 1206 N THR A 90 2.609 6.005 -10.008 1.00 0.00 N ATOM 1207 CA THR A 90 3.235 6.474 -8.739 1.00 0.00 C ATOM 1208 C THR A 90 2.172 6.637 -7.648 1.00 0.00 C ATOM 1209 O THR A 90 1.040 6.990 -7.913 1.00 0.00 O ATOM 1210 CB THR A 90 3.862 7.826 -9.083 1.00 0.00 C ATOM 1211 OG1 THR A 90 2.832 8.763 -9.369 1.00 0.00 O ATOM 1212 CG2 THR A 90 4.771 7.674 -10.302 1.00 0.00 C ATOM 0 H THR A 90 1.711 6.433 -10.233 1.00 0.00 H new ATOM 0 HA THR A 90 3.972 5.767 -8.358 1.00 0.00 H new ATOM 0 HB THR A 90 4.452 8.180 -8.237 1.00 0.00 H new ATOM 0 HG1 THR A 90 3.231 9.631 -9.588 1.00 0.00 H new ATOM 0 HG21 THR A 90 5.217 8.638 -10.546 1.00 0.00 H new ATOM 0 HG22 THR A 90 5.560 6.955 -10.080 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.186 7.320 -11.151 1.00 0.00 H new ATOM 1220 N MET A 91 2.532 6.383 -6.422 1.00 0.00 N ATOM 1221 CA MET A 91 1.542 6.524 -5.316 1.00 0.00 C ATOM 1222 C MET A 91 0.915 7.919 -5.361 1.00 0.00 C ATOM 1223 O MET A 91 -0.277 8.086 -5.189 1.00 0.00 O ATOM 1224 CB MET A 91 2.338 6.340 -4.016 1.00 0.00 C ATOM 1225 CG MET A 91 2.843 4.894 -3.892 1.00 0.00 C ATOM 1226 SD MET A 91 1.470 3.738 -4.126 1.00 0.00 S ATOM 1227 CE MET A 91 1.228 3.315 -2.383 1.00 0.00 C ATOM 0 H MET A 91 3.465 6.085 -6.137 1.00 0.00 H new ATOM 0 HA MET A 91 0.735 5.796 -5.395 1.00 0.00 H new ATOM 0 HB2 MET A 91 3.183 7.029 -4.000 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.709 6.586 -3.160 1.00 0.00 H new ATOM 0 HG2 MET A 91 3.619 4.706 -4.634 1.00 0.00 H new ATOM 0 HG3 MET A 91 3.296 4.741 -2.912 1.00 0.00 H new ATOM 0 HE1 MET A 91 0.815 2.309 -2.307 1.00 0.00 H new ATOM 0 HE2 MET A 91 2.185 3.355 -1.863 1.00 0.00 H new ATOM 0 HE3 MET A 91 0.538 4.026 -1.928 1.00 0.00 H new ATOM 1237 N GLY A 92 1.716 8.924 -5.591 1.00 0.00 N ATOM 1238 CA GLY A 92 1.177 10.313 -5.647 1.00 0.00 C ATOM 1239 C GLY A 92 -0.039 10.368 -6.569 1.00 0.00 C ATOM 1240 O GLY A 92 -1.056 10.941 -6.235 1.00 0.00 O ATOM 0 H GLY A 92 2.721 8.843 -5.743 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.899 10.644 -4.646 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.947 10.996 -6.007 1.00 0.00 H new ATOM 1244 N GLN A 93 0.055 9.784 -7.729 1.00 0.00 N ATOM 1245 CA GLN A 93 -1.105 9.816 -8.664 1.00 0.00 C ATOM 1246 C GLN A 93 -2.277 9.032 -8.065 1.00 0.00 C ATOM 1247 O GLN A 93 -3.428 9.367 -8.267 1.00 0.00 O ATOM 1248 CB GLN A 93 -0.590 9.184 -9.973 1.00 0.00 C ATOM 1249 CG GLN A 93 -1.003 7.709 -10.072 1.00 0.00 C ATOM 1250 CD GLN A 93 -0.624 7.163 -11.449 1.00 0.00 C ATOM 1251 OE1 GLN A 93 -1.226 6.224 -11.931 1.00 0.00 O ATOM 1252 NE2 GLN A 93 0.356 7.717 -12.110 1.00 0.00 N ATOM 0 H GLN A 93 0.879 9.288 -8.070 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.476 10.825 -8.845 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.986 9.734 -10.827 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.496 9.265 -10.017 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -0.510 7.129 -9.291 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.077 7.610 -9.913 1.00 0.00 H new ATOM 0 HE21 GLN A 93 0.862 8.505 -11.706 1.00 0.00 H new ATOM 0 HE22 GLN A 93 0.616 7.362 -13.030 1.00 0.00 H new ATOM 1261 N LEU A 94 -1.995 7.995 -7.323 1.00 0.00 N ATOM 1262 CA LEU A 94 -3.099 7.205 -6.711 1.00 0.00 C ATOM 1263 C LEU A 94 -3.805 8.037 -5.645 1.00 0.00 C ATOM 1264 O LEU A 94 -4.913 7.755 -5.253 1.00 0.00 O ATOM 1265 CB LEU A 94 -2.414 5.978 -6.099 1.00 0.00 C ATOM 1266 CG LEU A 94 -2.236 6.141 -4.585 1.00 0.00 C ATOM 1267 CD1 LEU A 94 -3.526 5.731 -3.874 1.00 0.00 C ATOM 1268 CD2 LEU A 94 -1.090 5.250 -4.110 1.00 0.00 C ATOM 0 H LEU A 94 -1.053 7.663 -7.116 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.862 6.915 -7.434 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.007 5.087 -6.304 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.442 5.829 -6.568 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.008 7.182 -4.355 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.401 5.846 -2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.346 6.364 -4.214 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.753 4.690 -4.103 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.962 5.365 -3.034 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.319 4.209 -4.339 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.170 5.539 -4.618 1.00 0.00 H new ATOM 1280 N TYR A 95 -3.163 9.051 -5.158 1.00 0.00 N ATOM 1281 CA TYR A 95 -3.808 9.879 -4.112 1.00 0.00 C ATOM 1282 C TYR A 95 -5.222 10.265 -4.560 1.00 0.00 C ATOM 1283 O TYR A 95 -6.187 9.992 -3.888 1.00 0.00 O ATOM 1284 CB TYR A 95 -2.914 11.113 -3.969 1.00 0.00 C ATOM 1285 CG TYR A 95 -2.830 11.503 -2.516 1.00 0.00 C ATOM 1286 CD1 TYR A 95 -2.516 10.539 -1.556 1.00 0.00 C ATOM 1287 CD2 TYR A 95 -3.067 12.828 -2.129 1.00 0.00 C ATOM 1288 CE1 TYR A 95 -2.438 10.896 -0.204 1.00 0.00 C ATOM 1289 CE2 TYR A 95 -2.988 13.186 -0.779 1.00 0.00 C ATOM 1290 CZ TYR A 95 -2.673 12.221 0.184 1.00 0.00 C ATOM 1291 OH TYR A 95 -2.596 12.574 1.516 1.00 0.00 O ATOM 0 H TYR A 95 -2.226 9.343 -5.435 1.00 0.00 H new ATOM 0 HA TYR A 95 -3.910 9.355 -3.162 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -1.918 10.902 -4.359 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.317 11.938 -4.556 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -2.333 9.518 -1.856 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.311 13.573 -2.872 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.197 10.150 0.539 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.170 14.208 -0.480 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.493 12.779 1.852 1.00 0.00 H new ATOM 1301 N GLN A 96 -5.362 10.889 -5.690 1.00 0.00 N ATOM 1302 CA GLN A 96 -6.730 11.272 -6.147 1.00 0.00 C ATOM 1303 C GLN A 96 -7.549 10.034 -6.554 1.00 0.00 C ATOM 1304 O GLN A 96 -8.750 10.105 -6.723 1.00 0.00 O ATOM 1305 CB GLN A 96 -6.502 12.187 -7.351 1.00 0.00 C ATOM 1306 CG GLN A 96 -5.935 13.526 -6.875 1.00 0.00 C ATOM 1307 CD GLN A 96 -4.663 13.851 -7.660 1.00 0.00 C ATOM 1308 OE1 GLN A 96 -4.165 13.026 -8.401 1.00 0.00 O ATOM 1309 NE2 GLN A 96 -4.113 15.027 -7.530 1.00 0.00 N ATOM 0 H GLN A 96 -4.600 11.151 -6.315 1.00 0.00 H new ATOM 0 HA GLN A 96 -7.296 11.763 -5.356 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.813 11.717 -8.053 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.440 12.346 -7.883 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.673 14.316 -7.015 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -5.715 13.481 -5.808 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -4.531 15.719 -6.908 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -3.265 15.254 -8.050 1.00 0.00 H new ATOM 1318 N GLU A 97 -6.907 8.911 -6.749 1.00 0.00 N ATOM 1319 CA GLU A 97 -7.651 7.682 -7.187 1.00 0.00 C ATOM 1320 C GLU A 97 -8.213 6.868 -6.006 1.00 0.00 C ATOM 1321 O GLU A 97 -9.409 6.704 -5.877 1.00 0.00 O ATOM 1322 CB GLU A 97 -6.620 6.851 -7.955 1.00 0.00 C ATOM 1323 CG GLU A 97 -6.885 6.969 -9.457 1.00 0.00 C ATOM 1324 CD GLU A 97 -8.043 6.049 -9.846 1.00 0.00 C ATOM 1325 OE1 GLU A 97 -8.359 5.165 -9.066 1.00 0.00 O ATOM 1326 OE2 GLU A 97 -8.595 6.244 -10.917 1.00 0.00 O ATOM 0 H GLU A 97 -5.902 8.788 -6.625 1.00 0.00 H new ATOM 0 HA GLU A 97 -8.519 7.955 -7.788 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.613 7.198 -7.724 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.676 5.807 -7.646 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -7.124 8.001 -9.715 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -5.989 6.700 -10.017 1.00 0.00 H new ATOM 1333 N HIS A 98 -7.367 6.318 -5.175 1.00 0.00 N ATOM 1334 CA HIS A 98 -7.859 5.474 -4.050 1.00 0.00 C ATOM 1335 C HIS A 98 -7.927 6.269 -2.741 1.00 0.00 C ATOM 1336 O HIS A 98 -7.616 5.768 -1.673 1.00 0.00 O ATOM 1337 CB HIS A 98 -6.812 4.372 -3.959 1.00 0.00 C ATOM 1338 CG HIS A 98 -6.610 3.769 -5.321 1.00 0.00 C ATOM 1339 ND1 HIS A 98 -7.621 3.719 -6.267 1.00 0.00 N ATOM 1340 CD2 HIS A 98 -5.519 3.186 -5.907 1.00 0.00 C ATOM 1341 CE1 HIS A 98 -7.119 3.124 -7.365 1.00 0.00 C ATOM 1342 NE2 HIS A 98 -5.839 2.779 -7.199 1.00 0.00 N ATOM 0 H HIS A 98 -6.353 6.418 -5.228 1.00 0.00 H new ATOM 0 HA HIS A 98 -8.869 5.099 -4.215 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -5.872 4.777 -3.584 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.133 3.606 -3.253 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -4.555 3.061 -5.437 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -7.682 2.947 -8.270 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -5.228 2.317 -7.873 1.00 0.00 H new ATOM 1350 N HIS A 99 -8.350 7.499 -2.824 1.00 0.00 N ATOM 1351 CA HIS A 99 -8.474 8.354 -1.610 1.00 0.00 C ATOM 1352 C HIS A 99 -9.494 9.468 -1.891 1.00 0.00 C ATOM 1353 O HIS A 99 -9.971 9.613 -2.999 1.00 0.00 O ATOM 1354 CB HIS A 99 -7.061 8.911 -1.388 1.00 0.00 C ATOM 1355 CG HIS A 99 -7.100 10.334 -0.925 1.00 0.00 C ATOM 1356 ND1 HIS A 99 -6.898 11.495 -1.599 1.00 0.00 N flip ATOM 1357 CD2 HIS A 99 -7.364 10.693 0.387 1.00 0.00 C flip ATOM 1358 CE1 HIS A 99 -7.028 12.577 -0.734 1.00 0.00 C flip ATOM 1359 NE2 HIS A 99 -7.310 12.036 0.454 1.00 0.00 N flip ATOM 0 H HIS A 99 -8.619 7.955 -3.695 1.00 0.00 H new ATOM 0 HA HIS A 99 -8.826 7.821 -0.726 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -6.540 8.301 -0.650 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -6.492 8.844 -2.316 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -6.683 11.564 -2.594 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -7.574 10.020 1.205 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -6.924 13.625 -0.971 1.00 0.00 H new ATOM 1367 N GLU A 100 -9.833 10.252 -0.905 1.00 0.00 N ATOM 1368 CA GLU A 100 -10.820 11.345 -1.142 1.00 0.00 C ATOM 1369 C GLU A 100 -10.781 12.365 0.006 1.00 0.00 C ATOM 1370 O GLU A 100 -9.733 12.870 0.356 1.00 0.00 O ATOM 1371 CB GLU A 100 -12.178 10.639 -1.220 1.00 0.00 C ATOM 1372 CG GLU A 100 -12.390 9.784 0.030 1.00 0.00 C ATOM 1373 CD GLU A 100 -13.876 9.767 0.391 1.00 0.00 C ATOM 1374 OE1 GLU A 100 -14.564 10.707 0.029 1.00 0.00 O ATOM 1375 OE2 GLU A 100 -14.301 8.814 1.022 1.00 0.00 O ATOM 0 H GLU A 100 -9.473 10.185 0.047 1.00 0.00 H new ATOM 0 HA GLU A 100 -10.608 11.908 -2.051 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -12.977 11.376 -1.308 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -12.222 10.013 -2.111 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -12.036 8.768 -0.147 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -11.808 10.184 0.860 1.00 0.00 H new ATOM 1382 N GLU A 101 -11.907 12.689 0.589 1.00 0.00 N ATOM 1383 CA GLU A 101 -11.907 13.689 1.698 1.00 0.00 C ATOM 1384 C GLU A 101 -11.737 12.997 3.054 1.00 0.00 C ATOM 1385 O GLU A 101 -11.387 13.622 4.035 1.00 0.00 O ATOM 1386 CB GLU A 101 -13.272 14.371 1.612 1.00 0.00 C ATOM 1387 CG GLU A 101 -13.220 15.487 0.566 1.00 0.00 C ATOM 1388 CD GLU A 101 -12.564 16.727 1.175 1.00 0.00 C ATOM 1389 OE1 GLU A 101 -13.233 17.421 1.921 1.00 0.00 O ATOM 1390 OE2 GLU A 101 -11.402 16.961 0.884 1.00 0.00 O ATOM 0 H GLU A 101 -12.821 12.307 0.347 1.00 0.00 H new ATOM 0 HA GLU A 101 -11.085 14.399 1.607 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -14.038 13.643 1.345 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.547 14.781 2.584 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -12.657 15.156 -0.307 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -14.227 15.726 0.224 1.00 0.00 H new ATOM 1397 N ASP A 102 -11.984 11.717 3.119 1.00 0.00 N ATOM 1398 CA ASP A 102 -11.837 10.991 4.414 1.00 0.00 C ATOM 1399 C ASP A 102 -10.580 11.466 5.151 1.00 0.00 C ATOM 1400 O ASP A 102 -10.659 12.170 6.137 1.00 0.00 O ATOM 1401 CB ASP A 102 -11.705 9.517 4.031 1.00 0.00 C ATOM 1402 CG ASP A 102 -12.913 9.097 3.190 1.00 0.00 C ATOM 1403 OD1 ASP A 102 -13.822 9.898 3.053 1.00 0.00 O ATOM 1404 OD2 ASP A 102 -12.905 7.981 2.697 1.00 0.00 O ATOM 0 H ASP A 102 -12.281 11.142 2.331 1.00 0.00 H new ATOM 0 HA ASP A 102 -12.681 11.166 5.080 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -10.785 9.357 3.469 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -11.642 8.902 4.928 1.00 0.00 H new ATOM 1409 N PHE A 103 -9.423 11.088 4.679 1.00 0.00 N ATOM 1410 CA PHE A 103 -8.165 11.521 5.355 1.00 0.00 C ATOM 1411 C PHE A 103 -6.950 10.878 4.677 1.00 0.00 C ATOM 1412 O PHE A 103 -6.014 11.551 4.292 1.00 0.00 O ATOM 1413 CB PHE A 103 -8.295 11.027 6.796 1.00 0.00 C ATOM 1414 CG PHE A 103 -7.817 12.102 7.744 1.00 0.00 C ATOM 1415 CD1 PHE A 103 -8.657 13.175 8.064 1.00 0.00 C ATOM 1416 CD2 PHE A 103 -6.536 12.024 8.303 1.00 0.00 C ATOM 1417 CE1 PHE A 103 -8.214 14.171 8.944 1.00 0.00 C ATOM 1418 CE2 PHE A 103 -6.094 13.019 9.182 1.00 0.00 C ATOM 1419 CZ PHE A 103 -6.934 14.094 9.502 1.00 0.00 C ATOM 0 H PHE A 103 -9.294 10.499 3.856 1.00 0.00 H new ATOM 0 HA PHE A 103 -8.024 12.601 5.306 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -9.333 10.772 7.012 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -7.709 10.119 6.934 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -9.645 13.235 7.633 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -5.889 11.196 8.056 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -8.862 14.999 9.192 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -5.106 12.958 9.614 1.00 0.00 H new ATOM 0 HZ PHE A 103 -6.593 14.863 10.179 1.00 0.00 H new ATOM 1429 N PHE A 104 -6.957 9.581 4.531 1.00 0.00 N ATOM 1430 CA PHE A 104 -5.801 8.896 3.883 1.00 0.00 C ATOM 1431 C PHE A 104 -6.286 8.005 2.737 1.00 0.00 C ATOM 1432 O PHE A 104 -7.448 8.009 2.383 1.00 0.00 O ATOM 1433 CB PHE A 104 -5.180 8.045 4.992 1.00 0.00 C ATOM 1434 CG PHE A 104 -6.267 7.277 5.705 1.00 0.00 C ATOM 1435 CD1 PHE A 104 -6.997 6.297 5.021 1.00 0.00 C ATOM 1436 CD2 PHE A 104 -6.547 7.545 7.051 1.00 0.00 C ATOM 1437 CE1 PHE A 104 -8.004 5.585 5.681 1.00 0.00 C ATOM 1438 CE2 PHE A 104 -7.555 6.832 7.712 1.00 0.00 C ATOM 1439 CZ PHE A 104 -8.284 5.852 7.027 1.00 0.00 C ATOM 0 H PHE A 104 -7.713 8.966 4.832 1.00 0.00 H new ATOM 0 HA PHE A 104 -5.088 9.602 3.456 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -4.449 7.355 4.570 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.646 8.681 5.698 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -6.782 6.091 3.983 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -5.986 8.301 7.579 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -8.566 4.829 5.152 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -7.770 7.038 8.750 1.00 0.00 H new ATOM 0 HZ PHE A 104 -9.062 5.302 7.536 1.00 0.00 H new ATOM 1449 N LEU A 105 -5.405 7.230 2.160 1.00 0.00 N ATOM 1450 CA LEU A 105 -5.823 6.328 1.044 1.00 0.00 C ATOM 1451 C LEU A 105 -5.841 4.876 1.550 1.00 0.00 C ATOM 1452 O LEU A 105 -5.366 4.593 2.628 1.00 0.00 O ATOM 1453 CB LEU A 105 -4.779 6.559 -0.068 1.00 0.00 C ATOM 1454 CG LEU A 105 -3.719 5.450 -0.077 1.00 0.00 C ATOM 1455 CD1 LEU A 105 -4.131 4.362 -1.068 1.00 0.00 C ATOM 1456 CD2 LEU A 105 -2.373 6.039 -0.504 1.00 0.00 C ATOM 0 H LEU A 105 -4.418 7.182 2.411 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.826 6.531 0.667 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.278 6.596 -1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.296 7.525 0.079 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.631 5.021 0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.379 3.573 -1.076 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.092 3.944 -0.770 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.216 4.792 -2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.618 5.253 -0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.463 6.465 -1.503 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.078 6.819 0.198 1.00 0.00 H new ATOM 1468 N TYR A 106 -6.403 3.959 0.804 1.00 0.00 N ATOM 1469 CA TYR A 106 -6.454 2.546 1.294 1.00 0.00 C ATOM 1470 C TYR A 106 -5.825 1.570 0.290 1.00 0.00 C ATOM 1471 O TYR A 106 -6.190 1.536 -0.868 1.00 0.00 O ATOM 1472 CB TYR A 106 -7.944 2.232 1.472 1.00 0.00 C ATOM 1473 CG TYR A 106 -8.776 2.999 0.466 1.00 0.00 C ATOM 1474 CD1 TYR A 106 -8.823 2.582 -0.869 1.00 0.00 C ATOM 1475 CD2 TYR A 106 -9.498 4.127 0.873 1.00 0.00 C ATOM 1476 CE1 TYR A 106 -9.594 3.293 -1.798 1.00 0.00 C ATOM 1477 CE2 TYR A 106 -10.269 4.839 -0.055 1.00 0.00 C ATOM 1478 CZ TYR A 106 -10.316 4.421 -1.390 1.00 0.00 C ATOM 1479 OH TYR A 106 -11.076 5.122 -2.305 1.00 0.00 O ATOM 0 H TYR A 106 -6.824 4.123 -0.111 1.00 0.00 H new ATOM 0 HA TYR A 106 -5.889 2.435 2.220 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -8.112 1.162 1.350 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.257 2.491 2.483 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -8.265 1.712 -1.183 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.461 4.449 1.903 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -9.631 2.971 -2.828 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -10.826 5.709 0.259 1.00 0.00 H new ATOM 0 HH TYR A 106 -11.514 5.876 -1.857 1.00 0.00 H new ATOM 1489 N ILE A 107 -4.894 0.759 0.737 1.00 0.00 N ATOM 1490 CA ILE A 107 -4.258 -0.233 -0.182 1.00 0.00 C ATOM 1491 C ILE A 107 -4.125 -1.590 0.519 1.00 0.00 C ATOM 1492 O ILE A 107 -3.880 -1.665 1.707 1.00 0.00 O ATOM 1493 CB ILE A 107 -2.872 0.329 -0.494 1.00 0.00 C ATOM 1494 CG1 ILE A 107 -2.995 1.802 -0.882 1.00 0.00 C ATOM 1495 CG2 ILE A 107 -2.252 -0.458 -1.652 1.00 0.00 C ATOM 1496 CD1 ILE A 107 -1.671 2.286 -1.477 1.00 0.00 C ATOM 0 H ILE A 107 -4.549 0.743 1.697 1.00 0.00 H new ATOM 0 HA ILE A 107 -4.849 -0.385 -1.085 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.235 0.239 0.386 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -3.800 1.932 -1.605 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -3.253 2.399 -0.007 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -1.263 -0.058 -1.876 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -2.164 -1.508 -1.373 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -2.887 -0.369 -2.533 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.759 3.337 -1.754 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.877 2.170 -0.740 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.433 1.696 -2.362 1.00 0.00 H new ATOM 1508 N ALA A 108 -4.281 -2.663 -0.208 1.00 0.00 N ATOM 1509 CA ALA A 108 -4.157 -4.012 0.418 1.00 0.00 C ATOM 1510 C ALA A 108 -3.278 -4.913 -0.450 1.00 0.00 C ATOM 1511 O ALA A 108 -2.856 -4.532 -1.522 1.00 0.00 O ATOM 1512 CB ALA A 108 -5.584 -4.554 0.482 1.00 0.00 C ATOM 0 H ALA A 108 -4.489 -2.665 -1.207 1.00 0.00 H new ATOM 0 HA ALA A 108 -3.695 -3.970 1.405 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -5.576 -5.547 0.932 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -6.200 -3.887 1.085 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -5.995 -4.616 -0.526 1.00 0.00 H new ATOM 1518 N TYR A 109 -2.997 -6.105 0.001 1.00 0.00 N ATOM 1519 CA TYR A 109 -2.149 -7.022 -0.817 1.00 0.00 C ATOM 1520 C TYR A 109 -2.567 -8.473 -0.598 1.00 0.00 C ATOM 1521 O TYR A 109 -3.315 -8.790 0.307 1.00 0.00 O ATOM 1522 CB TYR A 109 -0.700 -6.806 -0.363 1.00 0.00 C ATOM 1523 CG TYR A 109 -0.628 -6.617 1.137 1.00 0.00 C ATOM 1524 CD1 TYR A 109 -1.119 -5.445 1.721 1.00 0.00 C ATOM 1525 CD2 TYR A 109 -0.055 -7.611 1.946 1.00 0.00 C ATOM 1526 CE1 TYR A 109 -1.043 -5.268 3.104 1.00 0.00 C ATOM 1527 CE2 TYR A 109 0.021 -7.430 3.329 1.00 0.00 C ATOM 1528 CZ TYR A 109 -0.473 -6.258 3.908 1.00 0.00 C ATOM 1529 OH TYR A 109 -0.400 -6.079 5.273 1.00 0.00 O ATOM 0 H TYR A 109 -3.315 -6.483 0.894 1.00 0.00 H new ATOM 0 HA TYR A 109 -2.260 -6.811 -1.881 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -0.091 -7.662 -0.656 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -0.284 -5.932 -0.864 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -1.557 -4.676 1.102 1.00 0.00 H new ATOM 0 HD2 TYR A 109 0.327 -8.517 1.499 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -1.426 -4.364 3.553 1.00 0.00 H new ATOM 0 HE2 TYR A 109 0.461 -8.196 3.951 1.00 0.00 H new ATOM 0 HH TYR A 109 -1.278 -5.810 5.615 1.00 0.00 H new ATOM 1539 N SER A 110 -2.087 -9.356 -1.426 1.00 0.00 N ATOM 1540 CA SER A 110 -2.454 -10.795 -1.277 1.00 0.00 C ATOM 1541 C SER A 110 -1.414 -11.682 -1.966 1.00 0.00 C ATOM 1542 O SER A 110 -0.612 -11.220 -2.751 1.00 0.00 O ATOM 1543 CB SER A 110 -3.810 -10.931 -1.965 1.00 0.00 C ATOM 1544 OG SER A 110 -4.577 -11.926 -1.298 1.00 0.00 O ATOM 0 H SER A 110 -1.457 -9.146 -2.200 1.00 0.00 H new ATOM 0 HA SER A 110 -2.493 -11.104 -0.232 1.00 0.00 H new ATOM 0 HB2 SER A 110 -4.337 -9.977 -1.948 1.00 0.00 H new ATOM 0 HB3 SER A 110 -3.674 -11.201 -3.012 1.00 0.00 H new ATOM 0 HG SER A 110 -5.378 -12.129 -1.825 1.00 0.00 H new ATOM 1550 N ASP A 111 -1.426 -12.956 -1.679 1.00 0.00 N ATOM 1551 CA ASP A 111 -0.438 -13.875 -2.317 1.00 0.00 C ATOM 1552 C ASP A 111 -0.992 -14.417 -3.638 1.00 0.00 C ATOM 1553 O ASP A 111 -0.290 -15.052 -4.400 1.00 0.00 O ATOM 1554 CB ASP A 111 -0.244 -15.009 -1.310 1.00 0.00 C ATOM 1555 CG ASP A 111 -1.599 -15.638 -0.980 1.00 0.00 C ATOM 1556 OD1 ASP A 111 -2.245 -15.158 -0.064 1.00 0.00 O ATOM 1557 OD2 ASP A 111 -1.967 -16.589 -1.650 1.00 0.00 O ATOM 0 H ASP A 111 -2.076 -13.400 -1.031 1.00 0.00 H new ATOM 0 HA ASP A 111 0.501 -13.373 -2.551 1.00 0.00 H new ATOM 0 HB2 ASP A 111 0.428 -15.763 -1.720 1.00 0.00 H new ATOM 0 HB3 ASP A 111 0.222 -14.627 -0.402 1.00 0.00 H new ATOM 1562 N GLU A 112 -2.244 -14.169 -3.918 1.00 0.00 N ATOM 1563 CA GLU A 112 -2.837 -14.670 -5.193 1.00 0.00 C ATOM 1564 C GLU A 112 -4.295 -14.222 -5.318 1.00 0.00 C ATOM 1565 O GLU A 112 -4.941 -13.895 -4.343 1.00 0.00 O ATOM 1566 CB GLU A 112 -2.752 -16.198 -5.112 1.00 0.00 C ATOM 1567 CG GLU A 112 -3.810 -16.731 -4.140 1.00 0.00 C ATOM 1568 CD GLU A 112 -3.909 -18.251 -4.282 1.00 0.00 C ATOM 1569 OE1 GLU A 112 -3.295 -18.783 -5.193 1.00 0.00 O ATOM 1570 OE2 GLU A 112 -4.597 -18.858 -3.478 1.00 0.00 O ATOM 0 H GLU A 112 -2.881 -13.642 -3.320 1.00 0.00 H new ATOM 0 HA GLU A 112 -2.309 -14.281 -6.064 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -2.903 -16.632 -6.101 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -1.758 -16.498 -4.781 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -3.545 -16.467 -3.116 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.776 -16.271 -4.348 1.00 0.00 H new ATOM 1577 N SER A 113 -4.815 -14.208 -6.514 1.00 0.00 N ATOM 1578 CA SER A 113 -6.231 -13.786 -6.709 1.00 0.00 C ATOM 1579 C SER A 113 -6.798 -14.418 -7.984 1.00 0.00 C ATOM 1580 O SER A 113 -7.633 -13.844 -8.654 1.00 0.00 O ATOM 1581 CB SER A 113 -6.178 -12.266 -6.844 1.00 0.00 C ATOM 1582 OG SER A 113 -7.479 -11.731 -6.635 1.00 0.00 O ATOM 0 H SER A 113 -4.320 -14.471 -7.366 1.00 0.00 H new ATOM 0 HA SER A 113 -6.872 -14.099 -5.885 1.00 0.00 H new ATOM 0 HB2 SER A 113 -5.480 -11.849 -6.118 1.00 0.00 H new ATOM 0 HB3 SER A 113 -5.813 -11.990 -7.833 1.00 0.00 H new ATOM 0 HG SER A 113 -8.120 -12.193 -7.215 1.00 0.00 H new ATOM 1588 N VAL A 114 -6.349 -15.596 -8.325 1.00 0.00 N ATOM 1589 CA VAL A 114 -6.863 -16.261 -9.558 1.00 0.00 C ATOM 1590 C VAL A 114 -7.690 -17.497 -9.192 1.00 0.00 C ATOM 1591 O VAL A 114 -7.815 -17.852 -8.037 1.00 0.00 O ATOM 1592 CB VAL A 114 -5.614 -16.667 -10.340 1.00 0.00 C ATOM 1593 CG1 VAL A 114 -4.927 -17.837 -9.635 1.00 0.00 C ATOM 1594 CG2 VAL A 114 -6.015 -17.089 -11.756 1.00 0.00 C ATOM 0 H VAL A 114 -5.650 -16.126 -7.805 1.00 0.00 H new ATOM 0 HA VAL A 114 -7.513 -15.605 -10.137 1.00 0.00 H new ATOM 0 HB VAL A 114 -4.928 -15.822 -10.392 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -4.036 -18.126 -10.193 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -4.642 -17.537 -8.627 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -5.612 -18.683 -9.582 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -5.125 -17.379 -12.315 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -6.702 -17.934 -11.703 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -6.504 -16.255 -12.259 1.00 0.00 H new ATOM 1604 N TYR A 115 -8.256 -18.153 -10.167 1.00 0.00 N ATOM 1605 CA TYR A 115 -9.075 -19.366 -9.876 1.00 0.00 C ATOM 1606 C TYR A 115 -8.358 -20.256 -8.857 1.00 0.00 C ATOM 1607 O TYR A 115 -7.189 -20.558 -8.995 1.00 0.00 O ATOM 1608 CB TYR A 115 -9.208 -20.086 -11.218 1.00 0.00 C ATOM 1609 CG TYR A 115 -10.376 -21.042 -11.162 1.00 0.00 C ATOM 1610 CD1 TYR A 115 -11.679 -20.547 -11.032 1.00 0.00 C ATOM 1611 CD2 TYR A 115 -10.156 -22.421 -11.242 1.00 0.00 C ATOM 1612 CE1 TYR A 115 -12.762 -21.433 -10.981 1.00 0.00 C ATOM 1613 CE2 TYR A 115 -11.239 -23.308 -11.191 1.00 0.00 C ATOM 1614 CZ TYR A 115 -12.541 -22.813 -11.060 1.00 0.00 C ATOM 1615 OH TYR A 115 -13.610 -23.686 -11.010 1.00 0.00 O ATOM 0 H TYR A 115 -8.187 -17.902 -11.153 1.00 0.00 H new ATOM 0 HA TYR A 115 -10.047 -19.116 -9.450 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -9.355 -19.361 -12.019 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -8.290 -20.629 -11.444 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -11.849 -19.482 -10.971 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -9.151 -22.802 -11.343 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -13.768 -21.052 -10.881 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -11.069 -24.373 -11.253 1.00 0.00 H new ATOM 0 HH TYR A 115 -13.283 -24.607 -11.079 1.00 0.00 H new ATOM 1625 N GLY A 116 -9.050 -20.679 -7.834 1.00 0.00 N ATOM 1626 CA GLY A 116 -8.408 -21.549 -6.809 1.00 0.00 C ATOM 1627 C GLY A 116 -9.477 -22.103 -5.867 1.00 0.00 C ATOM 1628 O GLY A 116 -10.620 -22.273 -6.242 1.00 0.00 O ATOM 0 H GLY A 116 -10.032 -20.460 -7.664 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -7.876 -22.368 -7.293 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -7.670 -20.979 -6.244 1.00 0.00 H new ATOM 1632 N LEU A 117 -9.116 -22.388 -4.646 1.00 0.00 N ATOM 1633 CA LEU A 117 -10.115 -22.933 -3.682 1.00 0.00 C ATOM 1634 C LEU A 117 -10.744 -21.793 -2.874 1.00 0.00 C ATOM 1635 O LEU A 117 -10.832 -21.928 -1.665 1.00 0.00 O ATOM 1636 CB LEU A 117 -9.317 -23.862 -2.767 1.00 0.00 C ATOM 1637 CG LEU A 117 -8.625 -24.937 -3.606 1.00 0.00 C ATOM 1638 CD1 LEU A 117 -7.805 -25.848 -2.693 1.00 0.00 C ATOM 1639 CD2 LEU A 117 -9.681 -25.769 -4.338 1.00 0.00 C ATOM 1640 OXT LEU A 117 -11.127 -20.805 -3.481 1.00 0.00 O ATOM 0 H LEU A 117 -8.174 -22.267 -4.274 1.00 0.00 H new ATOM 0 HA LEU A 117 -10.930 -23.456 -4.182 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -8.577 -23.290 -2.208 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -9.979 -24.327 -2.037 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.966 -24.462 -4.333 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -7.312 -26.614 -3.291 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -7.054 -25.257 -2.169 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -8.464 -26.323 -1.966 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -9.189 -26.536 -4.937 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -10.339 -26.243 -3.610 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -10.268 -25.121 -4.989 1.00 0.00 H new TER 1652 LEU A 117