USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 646 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 14 ASN : amide:sc= -0.772 K(o=-0.77,f=-5.4!) USER MOD Set 1.2: A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 16:sc= 0.545 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.0053 X(o=-0.0053,f=-0.11) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 30:sc= 0 USER MOD Single : A 25 ASN : amide:sc=-0.00484 X(o=-0.0048,f=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.792 K(o=-0.79,f=-1.5) USER MOD Single : A 36 GLN : amide:sc= 0.345 X(o=0.35,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.016) USER MOD Single : A 41 GLN : amide:sc= -0.761 X(o=-0.76,f=-0.44) USER MOD Single : A 45 LYS NZ :NH3+ -159:sc= -0.031 (180deg=-0.598) USER MOD Single : A 46 LYS NZ :NH3+ -130:sc= -1.09 (180deg=-3.05!) USER MOD Single : A 47 GLN :FLIP amide:sc= -1.12! F(o=-1.9,f=-1.1!) USER MOD Single : A 48 GLN : amide:sc= -0.382 K(o=-0.38,f=-1.3) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 53 GLN : amide:sc= -0.938 K(o=-0.94,f=-3.3!) USER MOD Single : A 55 GLN :FLIP amide:sc= -3.17! C(o=-3.8!,f=-3.2!) USER MOD Single : A 58 GLN : amide:sc= -1.91 K(o=-1.9,f=-4) USER MOD Single : A 66 TYR OH : rot -66:sc= 0.633 USER MOD Single : A 69 GLN : amide:sc= -0.0328 K(o=-0.033,f=-1.5!) USER MOD Single : A 71 SER OG : rot -54:sc= 0.12 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -169:sc= -0.0111 (180deg=-0.133) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.150 4.312 -17.788 1.00 0.00 N ATOM 2 CA GLY A 1 -13.276 2.870 -17.686 1.00 0.00 C ATOM 3 C GLY A 1 -12.723 2.331 -16.381 1.00 0.00 C ATOM 4 O GLY A 1 -13.185 2.702 -15.303 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.542 4.631 -18.697 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.672 4.762 -17.009 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.146 4.578 -17.731 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.327 2.593 -17.774 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.752 2.403 -18.520 1.00 0.00 H new ATOM 8 N SER A 2 -11.731 1.451 -16.479 1.00 0.00 N ATOM 9 CA SER A 2 -11.119 0.856 -15.297 1.00 0.00 C ATOM 10 C SER A 2 -12.181 0.452 -14.280 1.00 0.00 C ATOM 11 O SER A 2 -12.019 0.667 -13.078 1.00 0.00 O ATOM 12 CB SER A 2 -10.132 1.836 -14.660 1.00 0.00 C ATOM 13 OG SER A 2 -10.776 3.045 -14.298 1.00 0.00 O ATOM 0 H SER A 2 -11.335 1.135 -17.364 1.00 0.00 H new ATOM 0 HA SER A 2 -10.581 -0.039 -15.608 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.682 1.382 -13.777 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.322 2.047 -15.358 1.00 0.00 H new ATOM 0 HG SER A 2 -11.747 2.912 -14.299 1.00 0.00 H new ATOM 19 N SER A 3 -13.269 -0.134 -14.770 1.00 0.00 N ATOM 20 CA SER A 3 -14.360 -0.565 -13.904 1.00 0.00 C ATOM 21 C SER A 3 -13.857 -1.528 -12.833 1.00 0.00 C ATOM 22 O SER A 3 -12.937 -2.311 -13.069 1.00 0.00 O ATOM 23 CB SER A 3 -15.461 -1.233 -14.731 1.00 0.00 C ATOM 24 OG SER A 3 -16.592 -1.529 -13.930 1.00 0.00 O ATOM 0 H SER A 3 -13.418 -0.321 -15.762 1.00 0.00 H new ATOM 0 HA SER A 3 -14.769 0.316 -13.411 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.754 -0.577 -15.550 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.078 -2.150 -15.178 1.00 0.00 H new ATOM 0 HG SER A 3 -17.282 -1.953 -14.482 1.00 0.00 H new ATOM 30 N GLY A 4 -14.468 -1.464 -11.654 1.00 0.00 N ATOM 31 CA GLY A 4 -14.069 -2.335 -10.564 1.00 0.00 C ATOM 32 C GLY A 4 -12.956 -1.739 -9.724 1.00 0.00 C ATOM 33 O GLY A 4 -11.854 -1.504 -10.219 1.00 0.00 O ATOM 0 H GLY A 4 -15.232 -0.825 -11.434 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.932 -2.536 -9.929 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.742 -3.292 -10.969 1.00 0.00 H new ATOM 37 N SER A 5 -13.245 -1.493 -8.450 1.00 0.00 N ATOM 38 CA SER A 5 -12.262 -0.916 -7.541 1.00 0.00 C ATOM 39 C SER A 5 -11.052 -1.835 -7.396 1.00 0.00 C ATOM 40 O SER A 5 -11.177 -3.058 -7.451 1.00 0.00 O ATOM 41 CB SER A 5 -12.891 -0.662 -6.170 1.00 0.00 C ATOM 42 OG SER A 5 -13.602 0.563 -6.154 1.00 0.00 O ATOM 0 H SER A 5 -14.152 -1.684 -8.024 1.00 0.00 H new ATOM 0 HA SER A 5 -11.928 0.033 -7.961 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.565 -1.481 -5.919 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.113 -0.644 -5.407 1.00 0.00 H new ATOM 0 HG SER A 5 -13.996 0.701 -5.267 1.00 0.00 H new ATOM 48 N SER A 6 -9.881 -1.234 -7.209 1.00 0.00 N ATOM 49 CA SER A 6 -8.647 -1.996 -7.060 1.00 0.00 C ATOM 50 C SER A 6 -8.039 -1.780 -5.677 1.00 0.00 C ATOM 51 O SER A 6 -7.911 -0.648 -5.213 1.00 0.00 O ATOM 52 CB SER A 6 -7.640 -1.595 -8.140 1.00 0.00 C ATOM 53 OG SER A 6 -6.587 -2.539 -8.232 1.00 0.00 O ATOM 0 H SER A 6 -9.761 -0.222 -7.157 1.00 0.00 H new ATOM 0 HA SER A 6 -8.887 -3.053 -7.172 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.146 -1.516 -9.102 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.231 -0.611 -7.913 1.00 0.00 H new ATOM 0 HG SER A 6 -5.958 -2.261 -8.930 1.00 0.00 H new ATOM 59 N GLY A 7 -7.665 -2.877 -5.024 1.00 0.00 N ATOM 60 CA GLY A 7 -7.076 -2.787 -3.701 1.00 0.00 C ATOM 61 C GLY A 7 -7.881 -1.906 -2.766 1.00 0.00 C ATOM 62 O GLY A 7 -9.077 -1.700 -2.973 1.00 0.00 O ATOM 0 H GLY A 7 -7.760 -3.825 -5.388 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.996 -3.787 -3.274 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.063 -2.393 -3.784 1.00 0.00 H new ATOM 66 N ILE A 8 -7.225 -1.387 -1.733 1.00 0.00 N ATOM 67 CA ILE A 8 -7.887 -0.525 -0.763 1.00 0.00 C ATOM 68 C ILE A 8 -7.512 0.937 -0.980 1.00 0.00 C ATOM 69 O ILE A 8 -6.404 1.244 -1.419 1.00 0.00 O ATOM 70 CB ILE A 8 -7.533 -0.926 0.681 1.00 0.00 C ATOM 71 CG1 ILE A 8 -6.046 -0.686 0.949 1.00 0.00 C ATOM 72 CG2 ILE A 8 -7.894 -2.382 0.930 1.00 0.00 C ATOM 73 CD1 ILE A 8 -5.724 -0.459 2.410 1.00 0.00 C ATOM 0 H ILE A 8 -6.235 -1.549 -1.547 1.00 0.00 H new ATOM 0 HA ILE A 8 -8.960 -0.648 -0.912 1.00 0.00 H new ATOM 0 HB ILE A 8 -8.111 -0.307 1.367 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.477 -1.543 0.589 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.717 0.179 0.374 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.638 -2.650 1.955 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -8.964 -2.523 0.774 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.340 -3.018 0.239 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.652 -0.296 2.525 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.265 0.416 2.770 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.022 -1.333 2.988 1.00 0.00 H new ATOM 85 N GLN A 9 -8.442 1.834 -0.668 1.00 0.00 N ATOM 86 CA GLN A 9 -8.207 3.264 -0.828 1.00 0.00 C ATOM 87 C GLN A 9 -7.693 3.880 0.469 1.00 0.00 C ATOM 88 O GLN A 9 -8.357 3.816 1.504 1.00 0.00 O ATOM 89 CB GLN A 9 -9.493 3.967 -1.266 1.00 0.00 C ATOM 90 CG GLN A 9 -9.254 5.314 -1.930 1.00 0.00 C ATOM 91 CD GLN A 9 -10.460 5.804 -2.707 1.00 0.00 C ATOM 92 OE1 GLN A 9 -11.601 5.636 -2.276 1.00 0.00 O ATOM 93 NE2 GLN A 9 -10.213 6.414 -3.861 1.00 0.00 N ATOM 0 H GLN A 9 -9.364 1.596 -0.303 1.00 0.00 H new ATOM 0 HA GLN A 9 -7.447 3.398 -1.598 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -10.033 3.321 -1.958 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.134 4.109 -0.396 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.994 6.049 -1.168 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.400 5.237 -2.603 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -9.251 6.532 -4.180 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -10.985 6.765 -4.428 1.00 0.00 H new ATOM 102 N VAL A 10 -6.507 4.476 0.406 1.00 0.00 N ATOM 103 CA VAL A 10 -5.903 5.104 1.575 1.00 0.00 C ATOM 104 C VAL A 10 -5.719 6.602 1.361 1.00 0.00 C ATOM 105 O VAL A 10 -5.423 7.049 0.253 1.00 0.00 O ATOM 106 CB VAL A 10 -4.539 4.473 1.911 1.00 0.00 C ATOM 107 CG1 VAL A 10 -4.713 3.027 2.350 1.00 0.00 C ATOM 108 CG2 VAL A 10 -3.601 4.567 0.717 1.00 0.00 C ATOM 0 H VAL A 10 -5.945 4.537 -0.443 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.585 4.940 2.409 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.095 5.027 2.738 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.739 2.598 2.583 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.347 2.989 3.236 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.178 2.456 1.546 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.642 4.116 0.972 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.037 4.038 -0.131 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.452 5.614 0.453 1.00 0.00 H new ATOM 118 N PHE A 11 -5.896 7.373 2.429 1.00 0.00 N ATOM 119 CA PHE A 11 -5.750 8.822 2.358 1.00 0.00 C ATOM 120 C PHE A 11 -4.428 9.266 2.977 1.00 0.00 C ATOM 121 O PHE A 11 -4.248 9.207 4.193 1.00 0.00 O ATOM 122 CB PHE A 11 -6.916 9.510 3.071 1.00 0.00 C ATOM 123 CG PHE A 11 -8.216 9.411 2.325 1.00 0.00 C ATOM 124 CD1 PHE A 11 -8.548 10.348 1.359 1.00 0.00 C ATOM 125 CD2 PHE A 11 -9.106 8.383 2.590 1.00 0.00 C ATOM 126 CE1 PHE A 11 -9.744 10.260 0.671 1.00 0.00 C ATOM 127 CE2 PHE A 11 -10.303 8.290 1.904 1.00 0.00 C ATOM 128 CZ PHE A 11 -10.622 9.231 0.945 1.00 0.00 C ATOM 0 H PHE A 11 -6.141 7.018 3.354 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.755 9.111 1.307 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -7.039 9.068 4.060 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.671 10.562 3.220 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -7.865 11.156 1.141 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -8.862 7.646 3.341 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -9.991 10.996 -0.080 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -10.988 7.482 2.118 1.00 0.00 H new ATOM 0 HZ PHE A 11 -11.558 9.162 0.410 1.00 0.00 H new ATOM 138 N VAL A 12 -3.504 9.711 2.130 1.00 0.00 N ATOM 139 CA VAL A 12 -2.198 10.166 2.593 1.00 0.00 C ATOM 140 C VAL A 12 -2.218 11.656 2.914 1.00 0.00 C ATOM 141 O VAL A 12 -2.361 12.493 2.023 1.00 0.00 O ATOM 142 CB VAL A 12 -1.105 9.892 1.543 1.00 0.00 C ATOM 143 CG1 VAL A 12 0.246 10.386 2.038 1.00 0.00 C ATOM 144 CG2 VAL A 12 -1.049 8.410 1.206 1.00 0.00 C ATOM 0 H VAL A 12 -3.636 9.766 1.120 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.969 9.606 3.499 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.354 10.438 0.633 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.006 10.184 1.283 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.195 11.459 2.224 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.506 9.870 2.962 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.271 8.235 0.463 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.824 7.840 2.108 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.012 8.091 0.806 1.00 0.00 H new ATOM 154 N LYS A 13 -2.072 11.981 4.194 1.00 0.00 N ATOM 155 CA LYS A 13 -2.070 13.371 4.635 1.00 0.00 C ATOM 156 C LYS A 13 -0.655 13.939 4.638 1.00 0.00 C ATOM 157 O LYS A 13 0.102 13.740 5.587 1.00 0.00 O ATOM 158 CB LYS A 13 -2.679 13.484 6.035 1.00 0.00 C ATOM 159 CG LYS A 13 -2.809 14.914 6.528 1.00 0.00 C ATOM 160 CD LYS A 13 -3.755 15.012 7.713 1.00 0.00 C ATOM 161 CE LYS A 13 -4.213 16.444 7.944 1.00 0.00 C ATOM 162 NZ LYS A 13 -5.207 16.537 9.049 1.00 0.00 N ATOM 0 H LYS A 13 -1.953 11.300 4.945 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.673 13.949 3.935 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.665 13.019 6.032 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.063 12.921 6.736 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.827 15.292 6.813 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.172 15.547 5.718 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.622 14.375 7.541 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.258 14.639 8.608 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.350 17.068 8.178 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.652 16.837 7.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.494 17.529 9.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.041 15.962 8.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.781 16.185 9.930 1.00 0.00 H new ATOM 176 N ASN A 14 -0.305 14.649 3.570 1.00 0.00 N ATOM 177 CA ASN A 14 1.020 15.247 3.450 1.00 0.00 C ATOM 178 C ASN A 14 1.267 16.250 4.573 1.00 0.00 C ATOM 179 O ASN A 14 0.338 16.819 5.147 1.00 0.00 O ATOM 180 CB ASN A 14 1.170 15.937 2.092 1.00 0.00 C ATOM 181 CG ASN A 14 -0.103 16.637 1.656 1.00 0.00 C ATOM 182 OD1 ASN A 14 -0.431 17.716 2.148 1.00 0.00 O ATOM 183 ND2 ASN A 14 -0.826 16.023 0.727 1.00 0.00 N ATOM 0 H ASN A 14 -0.920 14.824 2.776 1.00 0.00 H new ATOM 0 HA ASN A 14 1.760 14.450 3.529 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.981 16.663 2.144 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.451 15.198 1.341 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.692 16.445 0.393 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.515 15.129 0.347 1.00 0.00 H new ATOM 190 N PRO A 15 2.550 16.474 4.894 1.00 0.00 N ATOM 191 CA PRO A 15 2.950 17.410 5.949 1.00 0.00 C ATOM 192 C PRO A 15 2.691 18.863 5.564 1.00 0.00 C ATOM 193 O PRO A 15 2.590 19.735 6.428 1.00 0.00 O ATOM 194 CB PRO A 15 4.452 17.156 6.097 1.00 0.00 C ATOM 195 CG PRO A 15 4.878 16.619 4.774 1.00 0.00 C ATOM 196 CD PRO A 15 3.709 15.832 4.251 1.00 0.00 C ATOM 0 HA PRO A 15 2.385 17.254 6.868 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.986 18.074 6.342 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.656 16.445 6.897 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.141 17.427 4.091 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.760 15.987 4.875 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.645 15.883 3.164 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.783 14.778 4.517 1.00 0.00 H new ATOM 204 N ASP A 16 2.583 19.116 4.265 1.00 0.00 N ATOM 205 CA ASP A 16 2.334 20.463 3.766 1.00 0.00 C ATOM 206 C ASP A 16 0.928 20.927 4.134 1.00 0.00 C ATOM 207 O ASP A 16 0.754 21.947 4.800 1.00 0.00 O ATOM 208 CB ASP A 16 2.519 20.511 2.249 1.00 0.00 C ATOM 209 CG ASP A 16 2.948 21.881 1.760 1.00 0.00 C ATOM 210 OD1 ASP A 16 3.762 22.529 2.451 1.00 0.00 O ATOM 211 OD2 ASP A 16 2.470 22.304 0.688 1.00 0.00 O ATOM 0 H ASP A 16 2.664 18.405 3.538 1.00 0.00 H new ATOM 0 HA ASP A 16 3.054 21.135 4.233 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.265 19.773 1.954 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.584 20.231 1.763 1.00 0.00 H new ATOM 216 N GLY A 17 -0.074 20.171 3.694 1.00 0.00 N ATOM 217 CA GLY A 17 -1.451 20.522 3.986 1.00 0.00 C ATOM 218 C GLY A 17 -2.424 19.930 2.986 1.00 0.00 C ATOM 219 O GLY A 17 -2.499 20.379 1.843 1.00 0.00 O ATOM 0 H GLY A 17 0.044 19.322 3.141 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.707 20.175 4.987 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.553 21.607 3.989 1.00 0.00 H new ATOM 223 N GLY A 18 -3.172 18.918 3.416 1.00 0.00 N ATOM 224 CA GLY A 18 -4.133 18.280 2.537 1.00 0.00 C ATOM 225 C GLY A 18 -4.089 16.767 2.629 1.00 0.00 C ATOM 226 O GLY A 18 -3.513 16.213 3.565 1.00 0.00 O ATOM 0 H GLY A 18 -3.129 18.529 4.358 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.136 18.627 2.787 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.938 18.584 1.509 1.00 0.00 H new ATOM 230 N SER A 19 -4.700 16.098 1.656 1.00 0.00 N ATOM 231 CA SER A 19 -4.733 14.641 1.635 1.00 0.00 C ATOM 232 C SER A 19 -5.309 14.130 0.318 1.00 0.00 C ATOM 233 O SER A 19 -6.302 14.657 -0.184 1.00 0.00 O ATOM 234 CB SER A 19 -5.561 14.111 2.807 1.00 0.00 C ATOM 235 OG SER A 19 -6.906 14.548 2.720 1.00 0.00 O ATOM 0 H SER A 19 -5.179 16.542 0.872 1.00 0.00 H new ATOM 0 HA SER A 19 -3.710 14.278 1.729 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.529 13.021 2.815 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.125 14.450 3.747 1.00 0.00 H new ATOM 0 HG SER A 19 -7.415 14.195 3.479 1.00 0.00 H new ATOM 241 N TYR A 20 -4.679 13.100 -0.236 1.00 0.00 N ATOM 242 CA TYR A 20 -5.127 12.518 -1.496 1.00 0.00 C ATOM 243 C TYR A 20 -5.478 11.044 -1.320 1.00 0.00 C ATOM 244 O TYR A 20 -5.057 10.404 -0.357 1.00 0.00 O ATOM 245 CB TYR A 20 -4.045 12.672 -2.566 1.00 0.00 C ATOM 246 CG TYR A 20 -3.260 13.959 -2.452 1.00 0.00 C ATOM 247 CD1 TYR A 20 -3.889 15.192 -2.568 1.00 0.00 C ATOM 248 CD2 TYR A 20 -1.889 13.942 -2.228 1.00 0.00 C ATOM 249 CE1 TYR A 20 -3.175 16.371 -2.465 1.00 0.00 C ATOM 250 CE2 TYR A 20 -1.167 15.115 -2.122 1.00 0.00 C ATOM 251 CZ TYR A 20 -1.815 16.327 -2.242 1.00 0.00 C ATOM 252 OH TYR A 20 -1.101 17.499 -2.138 1.00 0.00 O ATOM 0 H TYR A 20 -3.857 12.651 0.167 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.023 13.051 -1.815 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.357 11.829 -2.499 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.510 12.626 -3.551 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.954 15.230 -2.742 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.379 12.995 -2.135 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.679 17.321 -2.559 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.102 15.083 -1.946 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.156 17.293 -1.980 1.00 0.00 H new ATOM 262 N ALA A 21 -6.253 10.511 -2.259 1.00 0.00 N ATOM 263 CA ALA A 21 -6.660 9.112 -2.212 1.00 0.00 C ATOM 264 C ALA A 21 -5.801 8.259 -3.139 1.00 0.00 C ATOM 265 O ALA A 21 -5.797 8.457 -4.354 1.00 0.00 O ATOM 266 CB ALA A 21 -8.130 8.977 -2.578 1.00 0.00 C ATOM 0 H ALA A 21 -6.612 11.027 -3.062 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.517 8.752 -1.193 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.420 7.927 -2.539 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.734 9.547 -1.872 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.291 9.360 -3.586 1.00 0.00 H new ATOM 272 N TYR A 22 -5.075 7.310 -2.559 1.00 0.00 N ATOM 273 CA TYR A 22 -4.209 6.429 -3.333 1.00 0.00 C ATOM 274 C TYR A 22 -4.827 5.040 -3.468 1.00 0.00 C ATOM 275 O TYR A 22 -5.665 4.640 -2.661 1.00 0.00 O ATOM 276 CB TYR A 22 -2.832 6.325 -2.676 1.00 0.00 C ATOM 277 CG TYR A 22 -1.965 7.545 -2.890 1.00 0.00 C ATOM 278 CD1 TYR A 22 -2.244 8.742 -2.243 1.00 0.00 C ATOM 279 CD2 TYR A 22 -0.866 7.500 -3.739 1.00 0.00 C ATOM 280 CE1 TYR A 22 -1.455 9.860 -2.437 1.00 0.00 C ATOM 281 CE2 TYR A 22 -0.071 8.612 -3.938 1.00 0.00 C ATOM 282 CZ TYR A 22 -0.369 9.789 -3.285 1.00 0.00 C ATOM 283 OH TYR A 22 0.420 10.900 -3.480 1.00 0.00 O ATOM 0 H TYR A 22 -5.069 7.131 -1.555 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.096 6.856 -4.330 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.961 6.164 -1.606 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.316 5.449 -3.070 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -3.092 8.800 -1.577 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.629 6.580 -4.252 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.687 10.784 -1.928 1.00 0.00 H new ATOM 0 HE2 TYR A 22 0.779 8.560 -4.602 1.00 0.00 H new ATOM 0 HH TYR A 22 0.411 11.453 -2.671 1.00 0.00 H new ATOM 293 N ALA A 23 -4.405 4.310 -4.495 1.00 0.00 N ATOM 294 CA ALA A 23 -4.913 2.965 -4.736 1.00 0.00 C ATOM 295 C ALA A 23 -3.793 1.933 -4.660 1.00 0.00 C ATOM 296 O ALA A 23 -2.853 1.965 -5.454 1.00 0.00 O ATOM 297 CB ALA A 23 -5.606 2.897 -6.089 1.00 0.00 C ATOM 0 H ALA A 23 -3.713 4.627 -5.173 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.639 2.732 -3.957 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.980 1.887 -6.256 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.439 3.600 -6.107 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.896 3.155 -6.875 1.00 0.00 H new ATOM 303 N ILE A 24 -3.900 1.020 -3.701 1.00 0.00 N ATOM 304 CA ILE A 24 -2.896 -0.021 -3.523 1.00 0.00 C ATOM 305 C ILE A 24 -3.475 -1.222 -2.781 1.00 0.00 C ATOM 306 O ILE A 24 -4.193 -1.067 -1.795 1.00 0.00 O ATOM 307 CB ILE A 24 -1.672 0.504 -2.750 1.00 0.00 C ATOM 308 CG1 ILE A 24 -0.693 -0.638 -2.466 1.00 0.00 C ATOM 309 CG2 ILE A 24 -2.109 1.169 -1.454 1.00 0.00 C ATOM 310 CD1 ILE A 24 0.708 -0.166 -2.143 1.00 0.00 C ATOM 0 H ILE A 24 -4.672 0.980 -3.035 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.581 -0.330 -4.520 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.165 1.248 -3.364 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.070 -1.230 -1.632 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.655 -1.297 -3.333 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.232 1.535 -0.919 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.772 2.005 -1.679 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.637 0.445 -0.833 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.348 -1.028 -1.953 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.104 0.401 -2.985 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.683 0.469 -1.258 1.00 0.00 H new ATOM 322 N ASN A 25 -3.154 -2.418 -3.263 1.00 0.00 N ATOM 323 CA ASN A 25 -3.641 -3.646 -2.645 1.00 0.00 C ATOM 324 C ASN A 25 -3.076 -3.808 -1.237 1.00 0.00 C ATOM 325 O ASN A 25 -1.953 -3.399 -0.941 1.00 0.00 O ATOM 326 CB ASN A 25 -3.263 -4.857 -3.500 1.00 0.00 C ATOM 327 CG ASN A 25 -4.051 -4.920 -4.795 1.00 0.00 C ATOM 328 OD1 ASN A 25 -5.078 -5.593 -4.876 1.00 0.00 O ATOM 329 ND2 ASN A 25 -3.571 -4.217 -5.814 1.00 0.00 N ATOM 0 H ASN A 25 -2.559 -2.563 -4.079 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.727 -3.582 -2.577 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.198 -4.819 -3.728 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.435 -5.769 -2.929 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.058 -4.221 -6.710 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -2.715 -3.673 -5.700 1.00 0.00 H new ATOM 336 N PRO A 26 -3.872 -4.419 -0.347 1.00 0.00 N ATOM 337 CA PRO A 26 -3.473 -4.650 1.045 1.00 0.00 C ATOM 338 C PRO A 26 -2.370 -5.696 1.165 1.00 0.00 C ATOM 339 O PRO A 26 -1.632 -5.724 2.149 1.00 0.00 O ATOM 340 CB PRO A 26 -4.760 -5.150 1.705 1.00 0.00 C ATOM 341 CG PRO A 26 -5.550 -5.745 0.592 1.00 0.00 C ATOM 342 CD PRO A 26 -5.223 -4.931 -0.630 1.00 0.00 C ATOM 0 HA PRO A 26 -3.064 -3.751 1.507 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -4.547 -5.888 2.478 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.302 -4.334 2.183 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -5.288 -6.793 0.444 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.618 -5.711 0.809 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.241 -5.539 -1.535 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -5.937 -4.121 -0.776 1.00 0.00 H new ATOM 350 N ASN A 27 -2.264 -6.556 0.157 1.00 0.00 N ATOM 351 CA ASN A 27 -1.251 -7.605 0.151 1.00 0.00 C ATOM 352 C ASN A 27 0.134 -7.022 -0.114 1.00 0.00 C ATOM 353 O ASN A 27 1.135 -7.515 0.405 1.00 0.00 O ATOM 354 CB ASN A 27 -1.585 -8.659 -0.907 1.00 0.00 C ATOM 355 CG ASN A 27 -2.944 -9.293 -0.684 1.00 0.00 C ATOM 356 OD1 ASN A 27 -3.369 -9.491 0.455 1.00 0.00 O ATOM 357 ND2 ASN A 27 -3.633 -9.615 -1.772 1.00 0.00 N ATOM 0 H ASN A 27 -2.867 -6.547 -0.666 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.245 -8.076 1.134 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.560 -8.199 -1.895 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -0.819 -9.435 -0.897 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -4.554 -10.045 -1.684 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -3.242 -9.433 -2.696 1.00 0.00 H new ATOM 364 N SER A 28 0.182 -5.970 -0.925 1.00 0.00 N ATOM 365 CA SER A 28 1.444 -5.322 -1.262 1.00 0.00 C ATOM 366 C SER A 28 2.096 -4.723 -0.019 1.00 0.00 C ATOM 367 O SER A 28 1.412 -4.334 0.929 1.00 0.00 O ATOM 368 CB SER A 28 1.217 -4.230 -2.309 1.00 0.00 C ATOM 369 OG SER A 28 2.414 -3.937 -3.008 1.00 0.00 O ATOM 0 H SER A 28 -0.638 -5.548 -1.361 1.00 0.00 H new ATOM 0 HA SER A 28 2.113 -6.077 -1.674 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.450 -4.551 -3.014 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.846 -3.328 -1.823 1.00 0.00 H new ATOM 0 HG SER A 28 2.242 -3.237 -3.672 1.00 0.00 H new ATOM 375 N PHE A 29 3.423 -4.652 -0.030 1.00 0.00 N ATOM 376 CA PHE A 29 4.168 -4.102 1.095 1.00 0.00 C ATOM 377 C PHE A 29 3.933 -2.599 1.221 1.00 0.00 C ATOM 378 O PHE A 29 3.635 -1.923 0.237 1.00 0.00 O ATOM 379 CB PHE A 29 5.663 -4.383 0.931 1.00 0.00 C ATOM 380 CG PHE A 29 5.976 -5.829 0.672 1.00 0.00 C ATOM 381 CD1 PHE A 29 5.432 -6.823 1.469 1.00 0.00 C ATOM 382 CD2 PHE A 29 6.814 -6.195 -0.369 1.00 0.00 C ATOM 383 CE1 PHE A 29 5.718 -8.154 1.234 1.00 0.00 C ATOM 384 CE2 PHE A 29 7.104 -7.525 -0.610 1.00 0.00 C ATOM 385 CZ PHE A 29 6.555 -8.506 0.192 1.00 0.00 C ATOM 0 H PHE A 29 4.004 -4.969 -0.806 1.00 0.00 H new ATOM 0 HA PHE A 29 3.812 -4.586 2.005 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.049 -3.783 0.107 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.186 -4.062 1.832 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.776 -6.554 2.284 1.00 0.00 H new ATOM 0 HD2 PHE A 29 7.246 -5.432 -1.000 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.288 -8.919 1.864 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.759 -7.797 -1.425 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.779 -9.546 0.005 1.00 0.00 H new ATOM 395 N ILE A 30 4.069 -2.086 2.439 1.00 0.00 N ATOM 396 CA ILE A 30 3.872 -0.664 2.694 1.00 0.00 C ATOM 397 C ILE A 30 4.741 0.185 1.773 1.00 0.00 C ATOM 398 O ILE A 30 4.345 1.276 1.358 1.00 0.00 O ATOM 399 CB ILE A 30 4.192 -0.305 4.157 1.00 0.00 C ATOM 400 CG1 ILE A 30 3.078 -0.800 5.082 1.00 0.00 C ATOM 401 CG2 ILE A 30 4.382 1.197 4.305 1.00 0.00 C ATOM 402 CD1 ILE A 30 1.937 0.182 5.232 1.00 0.00 C ATOM 0 H ILE A 30 4.315 -2.633 3.264 1.00 0.00 H new ATOM 0 HA ILE A 30 2.821 -0.451 2.497 1.00 0.00 H new ATOM 0 HB ILE A 30 5.121 -0.799 4.441 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.688 -1.742 4.696 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.499 -1.008 6.066 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.607 1.435 5.345 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.206 1.524 3.671 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.468 1.711 4.005 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.184 -0.235 5.901 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.314 1.117 5.647 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.490 0.372 4.256 1.00 0.00 H new ATOM 414 N LEU A 31 5.927 -0.321 1.454 1.00 0.00 N ATOM 415 CA LEU A 31 6.853 0.390 0.579 1.00 0.00 C ATOM 416 C LEU A 31 6.180 0.760 -0.739 1.00 0.00 C ATOM 417 O LEU A 31 6.302 1.888 -1.215 1.00 0.00 O ATOM 418 CB LEU A 31 8.091 -0.466 0.311 1.00 0.00 C ATOM 419 CG LEU A 31 9.254 0.236 -0.391 1.00 0.00 C ATOM 420 CD1 LEU A 31 10.153 0.925 0.625 1.00 0.00 C ATOM 421 CD2 LEU A 31 10.051 -0.755 -1.225 1.00 0.00 C ATOM 0 H LEU A 31 6.270 -1.221 1.788 1.00 0.00 H new ATOM 0 HA LEU A 31 7.157 1.309 1.081 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.450 -0.857 1.263 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.792 -1.322 -0.293 1.00 0.00 H new ATOM 0 HG LEU A 31 8.845 0.995 -1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.975 1.419 0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.576 1.665 1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.553 0.185 1.318 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.874 -0.237 -1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.449 -1.537 -0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.402 -1.202 -1.978 1.00 0.00 H new ATOM 433 N GLY A 32 5.469 -0.199 -1.324 1.00 0.00 N ATOM 434 CA GLY A 32 4.786 0.046 -2.581 1.00 0.00 C ATOM 435 C GLY A 32 3.981 1.331 -2.563 1.00 0.00 C ATOM 436 O GLY A 32 3.936 2.059 -3.555 1.00 0.00 O ATOM 0 H GLY A 32 5.354 -1.141 -0.950 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.519 0.091 -3.386 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.123 -0.791 -2.800 1.00 0.00 H new ATOM 440 N LEU A 33 3.342 1.610 -1.432 1.00 0.00 N ATOM 441 CA LEU A 33 2.532 2.815 -1.289 1.00 0.00 C ATOM 442 C LEU A 33 3.400 4.067 -1.371 1.00 0.00 C ATOM 443 O LEU A 33 3.036 5.046 -2.023 1.00 0.00 O ATOM 444 CB LEU A 33 1.778 2.791 0.042 1.00 0.00 C ATOM 445 CG LEU A 33 1.031 4.073 0.413 1.00 0.00 C ATOM 446 CD1 LEU A 33 -0.031 4.393 -0.628 1.00 0.00 C ATOM 447 CD2 LEU A 33 0.405 3.944 1.794 1.00 0.00 C ATOM 0 H LEU A 33 3.369 1.019 -0.601 1.00 0.00 H new ATOM 0 HA LEU A 33 1.813 2.839 -2.108 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.061 1.971 0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.490 2.566 0.836 1.00 0.00 H new ATOM 0 HG LEU A 33 1.747 4.895 0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.552 5.308 -0.347 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.442 4.529 -1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.745 3.572 -0.683 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.122 4.865 2.042 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.298 3.111 1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.186 3.763 2.532 1.00 0.00 H new ATOM 459 N LYS A 34 4.551 4.027 -0.709 1.00 0.00 N ATOM 460 CA LYS A 34 5.474 5.156 -0.709 1.00 0.00 C ATOM 461 C LYS A 34 6.000 5.428 -2.115 1.00 0.00 C ATOM 462 O LYS A 34 6.025 6.572 -2.567 1.00 0.00 O ATOM 463 CB LYS A 34 6.643 4.886 0.241 1.00 0.00 C ATOM 464 CG LYS A 34 6.212 4.600 1.669 1.00 0.00 C ATOM 465 CD LYS A 34 7.332 3.960 2.472 1.00 0.00 C ATOM 466 CE LYS A 34 7.141 4.175 3.965 1.00 0.00 C ATOM 467 NZ LYS A 34 8.361 3.813 4.739 1.00 0.00 N ATOM 0 H LYS A 34 4.867 3.224 -0.165 1.00 0.00 H new ATOM 0 HA LYS A 34 4.931 6.037 -0.366 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.216 4.038 -0.133 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.310 5.748 0.237 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.903 5.528 2.150 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.344 3.940 1.663 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.369 2.892 2.259 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.289 4.380 2.162 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.889 5.219 4.152 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.299 3.576 4.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.190 3.974 5.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.588 2.810 4.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.159 4.402 4.425 1.00 0.00 H new ATOM 481 N GLN A 35 6.418 4.369 -2.801 1.00 0.00 N ATOM 482 CA GLN A 35 6.943 4.495 -4.155 1.00 0.00 C ATOM 483 C GLN A 35 6.014 5.338 -5.023 1.00 0.00 C ATOM 484 O GLN A 35 6.468 6.162 -5.815 1.00 0.00 O ATOM 485 CB GLN A 35 7.132 3.113 -4.783 1.00 0.00 C ATOM 486 CG GLN A 35 8.249 3.059 -5.812 1.00 0.00 C ATOM 487 CD GLN A 35 8.019 4.005 -6.973 1.00 0.00 C ATOM 488 OE1 GLN A 35 6.946 4.015 -7.578 1.00 0.00 O ATOM 489 NE2 GLN A 35 9.027 4.808 -7.292 1.00 0.00 N ATOM 0 H GLN A 35 6.403 3.415 -2.441 1.00 0.00 H new ATOM 0 HA GLN A 35 7.910 4.995 -4.097 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.341 2.390 -3.994 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.199 2.808 -5.256 1.00 0.00 H new ATOM 0 HG2 GLN A 35 9.195 3.306 -5.329 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.340 2.041 -6.190 1.00 0.00 H new ATOM 0 HE21 GLN A 35 9.899 4.767 -6.764 1.00 0.00 H new ATOM 0 HE22 GLN A 35 8.930 5.466 -8.065 1.00 0.00 H new ATOM 498 N GLN A 36 4.711 5.124 -4.867 1.00 0.00 N ATOM 499 CA GLN A 36 3.719 5.863 -5.638 1.00 0.00 C ATOM 500 C GLN A 36 3.684 7.329 -5.217 1.00 0.00 C ATOM 501 O GLN A 36 3.536 8.221 -6.052 1.00 0.00 O ATOM 502 CB GLN A 36 2.334 5.237 -5.461 1.00 0.00 C ATOM 503 CG GLN A 36 2.089 4.038 -6.363 1.00 0.00 C ATOM 504 CD GLN A 36 0.614 3.750 -6.563 1.00 0.00 C ATOM 505 OE1 GLN A 36 0.032 4.115 -7.586 1.00 0.00 O ATOM 506 NE2 GLN A 36 0.001 3.093 -5.586 1.00 0.00 N ATOM 0 H GLN A 36 4.319 4.446 -4.214 1.00 0.00 H new ATOM 0 HA GLN A 36 4.002 5.812 -6.689 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.213 4.930 -4.422 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.574 5.993 -5.661 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.555 4.216 -7.332 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.572 3.160 -5.933 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.522 2.810 -4.756 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.991 2.871 -5.665 1.00 0.00 H new ATOM 515 N ILE A 37 3.821 7.569 -3.917 1.00 0.00 N ATOM 516 CA ILE A 37 3.806 8.926 -3.386 1.00 0.00 C ATOM 517 C ILE A 37 5.034 9.708 -3.840 1.00 0.00 C ATOM 518 O ILE A 37 4.982 10.927 -4.001 1.00 0.00 O ATOM 519 CB ILE A 37 3.750 8.928 -1.847 1.00 0.00 C ATOM 520 CG1 ILE A 37 2.455 8.274 -1.361 1.00 0.00 C ATOM 521 CG2 ILE A 37 3.865 10.349 -1.315 1.00 0.00 C ATOM 522 CD1 ILE A 37 2.508 7.831 0.084 1.00 0.00 C ATOM 0 H ILE A 37 3.944 6.841 -3.213 1.00 0.00 H new ATOM 0 HA ILE A 37 2.908 9.407 -3.775 1.00 0.00 H new ATOM 0 HB ILE A 37 4.592 8.349 -1.466 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.632 8.978 -1.487 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.235 7.411 -1.989 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.824 10.334 -0.226 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.812 10.782 -1.636 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.042 10.950 -1.701 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.557 7.376 0.360 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.309 7.103 0.212 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.697 8.694 0.722 1.00 0.00 H new ATOM 534 N GLU A 38 6.139 8.997 -4.046 1.00 0.00 N ATOM 535 CA GLU A 38 7.380 9.625 -4.483 1.00 0.00 C ATOM 536 C GLU A 38 7.329 9.952 -5.973 1.00 0.00 C ATOM 537 O GLU A 38 8.075 10.803 -6.458 1.00 0.00 O ATOM 538 CB GLU A 38 8.571 8.709 -4.192 1.00 0.00 C ATOM 539 CG GLU A 38 9.832 9.091 -4.948 1.00 0.00 C ATOM 540 CD GLU A 38 10.896 8.012 -4.891 1.00 0.00 C ATOM 541 OE1 GLU A 38 10.704 6.954 -5.526 1.00 0.00 O ATOM 542 OE2 GLU A 38 11.921 8.226 -4.210 1.00 0.00 O ATOM 0 H GLU A 38 6.199 7.987 -3.917 1.00 0.00 H new ATOM 0 HA GLU A 38 7.501 10.555 -3.928 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.779 8.727 -3.122 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.301 7.684 -4.447 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.580 9.293 -5.989 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.234 10.015 -4.533 1.00 0.00 H new ATOM 549 N ASP A 39 6.445 9.270 -6.693 1.00 0.00 N ATOM 550 CA ASP A 39 6.296 9.488 -8.127 1.00 0.00 C ATOM 551 C ASP A 39 5.191 10.502 -8.410 1.00 0.00 C ATOM 552 O ASP A 39 5.077 11.013 -9.524 1.00 0.00 O ATOM 553 CB ASP A 39 5.988 8.168 -8.835 1.00 0.00 C ATOM 554 CG ASP A 39 7.233 7.337 -9.078 1.00 0.00 C ATOM 555 OD1 ASP A 39 8.165 7.408 -8.249 1.00 0.00 O ATOM 556 OD2 ASP A 39 7.275 6.616 -10.096 1.00 0.00 O ATOM 0 H ASP A 39 5.821 8.562 -6.307 1.00 0.00 H new ATOM 0 HA ASP A 39 7.236 9.886 -8.510 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.282 7.593 -8.235 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.501 8.375 -9.788 1.00 0.00 H new ATOM 561 N GLN A 40 4.381 10.785 -7.396 1.00 0.00 N ATOM 562 CA GLN A 40 3.284 11.736 -7.537 1.00 0.00 C ATOM 563 C GLN A 40 3.650 13.083 -6.924 1.00 0.00 C ATOM 564 O GLN A 40 3.338 14.135 -7.482 1.00 0.00 O ATOM 565 CB GLN A 40 2.018 11.188 -6.877 1.00 0.00 C ATOM 566 CG GLN A 40 1.406 10.011 -7.619 1.00 0.00 C ATOM 567 CD GLN A 40 0.711 10.426 -8.901 1.00 0.00 C ATOM 568 OE1 GLN A 40 1.020 9.920 -9.980 1.00 0.00 O ATOM 569 NE2 GLN A 40 -0.234 11.352 -8.790 1.00 0.00 N ATOM 0 H GLN A 40 4.463 10.370 -6.468 1.00 0.00 H new ATOM 0 HA GLN A 40 3.096 11.881 -8.601 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.253 10.882 -5.858 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.280 11.987 -6.808 1.00 0.00 H new ATOM 0 HG2 GLN A 40 2.187 9.287 -7.852 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.690 9.509 -6.968 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.458 11.745 -7.876 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.736 11.671 -9.619 1.00 0.00 H new ATOM 578 N GLN A 41 4.312 13.043 -5.772 1.00 0.00 N ATOM 579 CA GLN A 41 4.718 14.262 -5.082 1.00 0.00 C ATOM 580 C GLN A 41 6.178 14.593 -5.377 1.00 0.00 C ATOM 581 O GLN A 41 6.574 15.758 -5.368 1.00 0.00 O ATOM 582 CB GLN A 41 4.511 14.113 -3.574 1.00 0.00 C ATOM 583 CG GLN A 41 3.097 13.708 -3.191 1.00 0.00 C ATOM 584 CD GLN A 41 2.192 14.900 -2.953 1.00 0.00 C ATOM 585 OE1 GLN A 41 1.538 15.391 -3.873 1.00 0.00 O ATOM 586 NE2 GLN A 41 2.150 15.374 -1.713 1.00 0.00 N ATOM 0 H GLN A 41 4.578 12.180 -5.297 1.00 0.00 H new ATOM 0 HA GLN A 41 4.097 15.080 -5.447 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.209 13.369 -3.192 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.754 15.058 -3.087 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.674 13.088 -3.982 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.130 13.096 -2.289 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.709 14.936 -0.980 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.559 16.176 -1.493 1.00 0.00 H new ATOM 595 N GLY A 42 6.973 13.560 -5.637 1.00 0.00 N ATOM 596 CA GLY A 42 8.380 13.763 -5.930 1.00 0.00 C ATOM 597 C GLY A 42 9.268 13.477 -4.735 1.00 0.00 C ATOM 598 O GLY A 42 10.462 13.216 -4.888 1.00 0.00 O ATOM 0 H GLY A 42 6.668 12.587 -5.650 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.672 13.118 -6.759 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.535 14.791 -6.256 1.00 0.00 H new ATOM 602 N LEU A 43 8.686 13.528 -3.542 1.00 0.00 N ATOM 603 CA LEU A 43 9.433 13.274 -2.315 1.00 0.00 C ATOM 604 C LEU A 43 9.946 11.839 -2.277 1.00 0.00 C ATOM 605 O LEU A 43 9.251 10.895 -2.653 1.00 0.00 O ATOM 606 CB LEU A 43 8.554 13.546 -1.094 1.00 0.00 C ATOM 607 CG LEU A 43 9.274 14.071 0.149 1.00 0.00 C ATOM 608 CD1 LEU A 43 8.352 14.967 0.962 1.00 0.00 C ATOM 609 CD2 LEU A 43 9.783 12.915 0.998 1.00 0.00 C ATOM 0 H LEU A 43 7.699 13.743 -3.398 1.00 0.00 H new ATOM 0 HA LEU A 43 10.290 13.947 -2.295 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.787 14.267 -1.377 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.040 12.622 -0.828 1.00 0.00 H new ATOM 0 HG LEU A 43 10.130 14.664 -0.173 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.882 15.331 1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.037 15.814 0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.476 14.399 1.275 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.293 13.307 1.878 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.942 12.296 1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.479 12.313 0.414 1.00 0.00 H new ATOM 621 N PRO A 44 11.192 11.667 -1.810 1.00 0.00 N ATOM 622 CA PRO A 44 11.825 10.349 -1.709 1.00 0.00 C ATOM 623 C PRO A 44 11.194 9.485 -0.623 1.00 0.00 C ATOM 624 O PRO A 44 10.366 9.955 0.157 1.00 0.00 O ATOM 625 CB PRO A 44 13.277 10.679 -1.354 1.00 0.00 C ATOM 626 CG PRO A 44 13.211 12.009 -0.686 1.00 0.00 C ATOM 627 CD PRO A 44 12.078 12.747 -1.345 1.00 0.00 C ATOM 0 HA PRO A 44 11.717 9.773 -2.628 1.00 0.00 H new ATOM 0 HB2 PRO A 44 13.704 9.925 -0.693 1.00 0.00 H new ATOM 0 HB3 PRO A 44 13.904 10.714 -2.245 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.036 11.900 0.384 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.150 12.551 -0.802 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.570 13.410 -0.645 1.00 0.00 H new ATOM 0 HD3 PRO A 44 12.428 13.364 -2.173 1.00 0.00 H new ATOM 635 N LYS A 45 11.591 8.217 -0.577 1.00 0.00 N ATOM 636 CA LYS A 45 11.066 7.286 0.415 1.00 0.00 C ATOM 637 C LYS A 45 11.926 7.291 1.674 1.00 0.00 C ATOM 638 O LYS A 45 11.525 6.768 2.715 1.00 0.00 O ATOM 639 CB LYS A 45 11.002 5.872 -0.166 1.00 0.00 C ATOM 640 CG LYS A 45 10.180 5.774 -1.440 1.00 0.00 C ATOM 641 CD LYS A 45 9.834 4.332 -1.771 1.00 0.00 C ATOM 642 CE LYS A 45 11.045 3.573 -2.291 1.00 0.00 C ATOM 643 NZ LYS A 45 11.517 4.111 -3.597 1.00 0.00 N ATOM 0 H LYS A 45 12.275 7.811 -1.216 1.00 0.00 H new ATOM 0 HA LYS A 45 10.060 7.608 0.682 1.00 0.00 H new ATOM 0 HB2 LYS A 45 12.015 5.526 -0.370 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.580 5.200 0.581 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.263 6.353 -1.328 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.736 6.215 -2.268 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.447 3.836 -0.881 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.041 4.309 -2.518 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.852 3.632 -1.561 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.793 2.518 -2.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.083 3.389 -4.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.697 4.364 -4.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.100 4.956 -3.434 1.00 0.00 H new ATOM 657 N LYS A 46 13.110 7.887 1.575 1.00 0.00 N ATOM 658 CA LYS A 46 14.026 7.963 2.706 1.00 0.00 C ATOM 659 C LYS A 46 13.741 9.199 3.555 1.00 0.00 C ATOM 660 O LYS A 46 14.481 9.504 4.490 1.00 0.00 O ATOM 661 CB LYS A 46 15.475 7.991 2.215 1.00 0.00 C ATOM 662 CG LYS A 46 15.660 8.748 0.911 1.00 0.00 C ATOM 663 CD LYS A 46 15.592 7.816 -0.288 1.00 0.00 C ATOM 664 CE LYS A 46 16.464 8.314 -1.431 1.00 0.00 C ATOM 665 NZ LYS A 46 16.439 9.799 -1.542 1.00 0.00 N ATOM 0 H LYS A 46 13.457 8.325 0.722 1.00 0.00 H new ATOM 0 HA LYS A 46 13.876 7.077 3.323 1.00 0.00 H new ATOM 0 HB2 LYS A 46 16.101 8.447 2.982 1.00 0.00 H new ATOM 0 HB3 LYS A 46 15.825 6.967 2.084 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.890 9.515 0.822 1.00 0.00 H new ATOM 0 HG3 LYS A 46 16.621 9.261 0.920 1.00 0.00 H new ATOM 0 HD2 LYS A 46 15.913 6.817 0.008 1.00 0.00 H new ATOM 0 HD3 LYS A 46 14.559 7.732 -0.627 1.00 0.00 H new ATOM 0 HE2 LYS A 46 17.490 7.979 -1.278 1.00 0.00 H new ATOM 0 HE3 LYS A 46 16.121 7.874 -2.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 16.240 10.070 -2.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 15.698 10.181 -0.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 17.362 10.184 -1.257 1.00 0.00 H new ATOM 679 N GLN A 47 12.665 9.904 3.222 1.00 0.00 N ATOM 680 CA GLN A 47 12.284 11.106 3.955 1.00 0.00 C ATOM 681 C GLN A 47 10.842 11.012 4.442 1.00 0.00 C ATOM 682 O GLN A 47 10.537 11.372 5.578 1.00 0.00 O ATOM 683 CB GLN A 47 12.457 12.343 3.072 1.00 0.00 C ATOM 684 CG GLN A 47 13.905 12.771 2.901 1.00 0.00 C ATOM 685 CD GLN A 47 14.565 13.135 4.216 1.00 0.00 C ATOM 686 OE1 GLN A 47 14.769 14.429 4.438 1.00 0.00 O flip ATOM 687 NE2 GLN A 47 14.888 12.264 5.024 1.00 0.00 N flip ATOM 0 H GLN A 47 12.042 9.664 2.451 1.00 0.00 H new ATOM 0 HA GLN A 47 12.937 11.194 4.824 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.028 12.141 2.090 1.00 0.00 H new ATOM 0 HB3 GLN A 47 11.891 13.169 3.503 1.00 0.00 H new ATOM 0 HG2 GLN A 47 14.465 11.964 2.429 1.00 0.00 H new ATOM 0 HG3 GLN A 47 13.950 13.627 2.227 1.00 0.00 H new ATOM 0 HE21 GLN A 47 14.712 11.282 4.812 1.00 0.00 H new ATOM 0 HE22 GLN A 47 15.331 12.525 5.905 1.00 0.00 H new ATOM 696 N GLN A 48 9.960 10.526 3.574 1.00 0.00 N ATOM 697 CA GLN A 48 8.549 10.386 3.917 1.00 0.00 C ATOM 698 C GLN A 48 8.346 9.277 4.943 1.00 0.00 C ATOM 699 O GLN A 48 8.929 8.199 4.829 1.00 0.00 O ATOM 700 CB GLN A 48 7.724 10.094 2.662 1.00 0.00 C ATOM 701 CG GLN A 48 7.661 8.618 2.306 1.00 0.00 C ATOM 702 CD GLN A 48 6.704 8.333 1.165 1.00 0.00 C ATOM 703 OE1 GLN A 48 5.499 8.187 1.373 1.00 0.00 O ATOM 704 NE2 GLN A 48 7.236 8.254 -0.049 1.00 0.00 N ATOM 0 H GLN A 48 10.197 10.223 2.629 1.00 0.00 H new ATOM 0 HA GLN A 48 8.212 11.326 4.354 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.711 10.468 2.808 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.148 10.644 1.822 1.00 0.00 H new ATOM 0 HG2 GLN A 48 8.658 8.271 2.034 1.00 0.00 H new ATOM 0 HG3 GLN A 48 7.354 8.049 3.184 1.00 0.00 H new ATOM 0 HE21 GLN A 48 8.240 8.382 -0.175 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.641 8.066 -0.855 1.00 0.00 H new ATOM 713 N GLN A 49 7.516 9.549 5.945 1.00 0.00 N ATOM 714 CA GLN A 49 7.237 8.573 6.992 1.00 0.00 C ATOM 715 C GLN A 49 5.749 8.539 7.322 1.00 0.00 C ATOM 716 O GLN A 49 5.194 9.510 7.838 1.00 0.00 O ATOM 717 CB GLN A 49 8.044 8.899 8.250 1.00 0.00 C ATOM 718 CG GLN A 49 7.957 7.826 9.323 1.00 0.00 C ATOM 719 CD GLN A 49 8.667 8.222 10.603 1.00 0.00 C ATOM 720 OE1 GLN A 49 8.470 9.322 11.121 1.00 0.00 O ATOM 721 NE2 GLN A 49 9.498 7.325 11.122 1.00 0.00 N ATOM 0 H GLN A 49 7.025 10.437 6.054 1.00 0.00 H new ATOM 0 HA GLN A 49 7.531 7.590 6.625 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.089 9.042 7.975 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.691 9.844 8.663 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.909 7.620 9.542 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.391 6.901 8.943 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.631 6.426 10.660 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.003 7.536 11.983 1.00 0.00 H new ATOM 730 N LEU A 50 5.107 7.415 7.021 1.00 0.00 N ATOM 731 CA LEU A 50 3.681 7.254 7.286 1.00 0.00 C ATOM 732 C LEU A 50 3.448 6.652 8.668 1.00 0.00 C ATOM 733 O LEU A 50 4.246 5.846 9.146 1.00 0.00 O ATOM 734 CB LEU A 50 3.041 6.368 6.216 1.00 0.00 C ATOM 735 CG LEU A 50 3.141 6.874 4.777 1.00 0.00 C ATOM 736 CD1 LEU A 50 2.926 5.734 3.794 1.00 0.00 C ATOM 737 CD2 LEU A 50 2.133 7.988 4.532 1.00 0.00 C ATOM 0 H LEU A 50 5.551 6.602 6.594 1.00 0.00 H new ATOM 0 HA LEU A 50 3.217 8.240 7.258 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.503 5.382 6.266 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.987 6.239 6.462 1.00 0.00 H new ATOM 0 HG LEU A 50 4.142 7.276 4.623 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.001 6.113 2.775 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.685 4.968 3.953 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.937 5.302 3.949 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.218 8.336 3.503 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.125 7.611 4.705 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.333 8.816 5.213 1.00 0.00 H new ATOM 749 N GLU A 51 2.350 7.048 9.303 1.00 0.00 N ATOM 750 CA GLU A 51 2.012 6.545 10.629 1.00 0.00 C ATOM 751 C GLU A 51 0.523 6.226 10.727 1.00 0.00 C ATOM 752 O GLU A 51 -0.257 6.568 9.838 1.00 0.00 O ATOM 753 CB GLU A 51 2.397 7.569 11.700 1.00 0.00 C ATOM 754 CG GLU A 51 3.890 7.628 11.976 1.00 0.00 C ATOM 755 CD GLU A 51 4.224 8.461 13.198 1.00 0.00 C ATOM 756 OE1 GLU A 51 3.622 9.542 13.364 1.00 0.00 O ATOM 757 OE2 GLU A 51 5.088 8.029 13.991 1.00 0.00 O ATOM 0 H GLU A 51 1.680 7.715 8.921 1.00 0.00 H new ATOM 0 HA GLU A 51 2.574 5.626 10.795 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.054 8.555 11.387 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.874 7.328 12.626 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.270 6.616 12.116 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.400 8.043 11.107 1.00 0.00 H new ATOM 764 N PHE A 52 0.135 5.568 11.815 1.00 0.00 N ATOM 765 CA PHE A 52 -1.259 5.200 12.029 1.00 0.00 C ATOM 766 C PHE A 52 -1.562 5.059 13.518 1.00 0.00 C ATOM 767 O PHE A 52 -1.102 4.121 14.169 1.00 0.00 O ATOM 768 CB PHE A 52 -1.581 3.891 11.306 1.00 0.00 C ATOM 769 CG PHE A 52 -3.052 3.604 11.212 1.00 0.00 C ATOM 770 CD1 PHE A 52 -3.902 4.477 10.553 1.00 0.00 C ATOM 771 CD2 PHE A 52 -3.586 2.460 11.783 1.00 0.00 C ATOM 772 CE1 PHE A 52 -5.256 4.216 10.466 1.00 0.00 C ATOM 773 CE2 PHE A 52 -4.940 2.192 11.699 1.00 0.00 C ATOM 774 CZ PHE A 52 -5.775 3.071 11.039 1.00 0.00 C ATOM 0 H PHE A 52 0.767 5.279 12.562 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.884 5.995 11.622 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.161 3.928 10.301 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.091 3.068 11.826 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.501 5.373 10.102 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.937 1.769 12.300 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.908 4.906 9.951 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.343 1.297 12.149 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.833 2.864 10.971 1.00 0.00 H new ATOM 784 N GLN A 53 -2.338 5.998 14.050 1.00 0.00 N ATOM 785 CA GLN A 53 -2.700 5.979 15.462 1.00 0.00 C ATOM 786 C GLN A 53 -1.458 6.049 16.344 1.00 0.00 C ATOM 787 O GLN A 53 -1.393 5.411 17.394 1.00 0.00 O ATOM 788 CB GLN A 53 -3.501 4.718 15.788 1.00 0.00 C ATOM 789 CG GLN A 53 -4.627 4.441 14.804 1.00 0.00 C ATOM 790 CD GLN A 53 -5.517 5.647 14.582 1.00 0.00 C ATOM 791 OE1 GLN A 53 -5.500 6.599 15.363 1.00 0.00 O ATOM 792 NE2 GLN A 53 -6.303 5.614 13.511 1.00 0.00 N ATOM 0 H GLN A 53 -2.728 6.781 13.525 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.316 6.855 15.664 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.826 3.863 15.805 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.920 4.813 16.790 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.202 4.127 13.850 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -5.231 3.612 15.172 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.285 4.805 12.890 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.924 6.398 13.310 1.00 0.00 H new ATOM 801 N GLY A 54 -0.473 6.829 15.910 1.00 0.00 N ATOM 802 CA GLY A 54 0.755 6.967 16.672 1.00 0.00 C ATOM 803 C GLY A 54 1.622 5.726 16.604 1.00 0.00 C ATOM 804 O GLY A 54 2.162 5.283 17.617 1.00 0.00 O ATOM 0 H GLY A 54 -0.503 7.368 15.044 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.318 7.821 16.296 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.511 7.179 17.713 1.00 0.00 H new ATOM 808 N GLN A 55 1.755 5.163 15.407 1.00 0.00 N ATOM 809 CA GLN A 55 2.561 3.964 15.212 1.00 0.00 C ATOM 810 C GLN A 55 3.359 4.049 13.916 1.00 0.00 C ATOM 811 O GLN A 55 2.795 4.250 12.840 1.00 0.00 O ATOM 812 CB GLN A 55 1.669 2.722 15.196 1.00 0.00 C ATOM 813 CG GLN A 55 1.149 2.364 13.812 1.00 0.00 C ATOM 814 CD GLN A 55 0.042 1.330 13.854 1.00 0.00 C ATOM 815 OE1 GLN A 55 -0.949 1.557 14.709 1.00 0.00 O flip ATOM 816 NE2 GLN A 55 0.076 0.337 13.126 1.00 0.00 N flip ATOM 0 H GLN A 55 1.315 5.518 14.558 1.00 0.00 H new ATOM 0 HA GLN A 55 3.262 3.888 16.043 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.230 1.877 15.594 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.822 2.885 15.863 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.781 3.265 13.322 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.972 1.985 13.206 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.857 0.202 12.484 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.677 -0.350 13.166 1.00 0.00 H new ATOM 825 N VAL A 56 4.675 3.896 14.025 1.00 0.00 N ATOM 826 CA VAL A 56 5.551 3.955 12.861 1.00 0.00 C ATOM 827 C VAL A 56 5.353 2.739 11.963 1.00 0.00 C ATOM 828 O VAL A 56 5.361 1.599 12.431 1.00 0.00 O ATOM 829 CB VAL A 56 7.032 4.037 13.277 1.00 0.00 C ATOM 830 CG1 VAL A 56 7.926 4.140 12.050 1.00 0.00 C ATOM 831 CG2 VAL A 56 7.257 5.216 14.212 1.00 0.00 C ATOM 0 H VAL A 56 5.158 3.730 14.908 1.00 0.00 H new ATOM 0 HA VAL A 56 5.286 4.857 12.310 1.00 0.00 H new ATOM 0 HB VAL A 56 7.293 3.124 13.811 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.968 4.197 12.363 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.784 3.261 11.421 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.667 5.036 11.485 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.308 5.259 14.496 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.980 6.140 13.705 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.644 5.094 15.105 1.00 0.00 H new ATOM 841 N LEU A 57 5.176 2.988 10.670 1.00 0.00 N ATOM 842 CA LEU A 57 4.977 1.913 9.704 1.00 0.00 C ATOM 843 C LEU A 57 6.299 1.508 9.060 1.00 0.00 C ATOM 844 O LEU A 57 7.192 2.336 8.881 1.00 0.00 O ATOM 845 CB LEU A 57 3.983 2.348 8.626 1.00 0.00 C ATOM 846 CG LEU A 57 2.596 2.760 9.119 1.00 0.00 C ATOM 847 CD1 LEU A 57 1.744 3.259 7.961 1.00 0.00 C ATOM 848 CD2 LEU A 57 1.913 1.596 9.823 1.00 0.00 C ATOM 0 H LEU A 57 5.166 3.925 10.266 1.00 0.00 H new ATOM 0 HA LEU A 57 4.574 1.050 10.235 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.415 3.185 8.078 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.866 1.529 7.916 1.00 0.00 H new ATOM 0 HG LEU A 57 2.713 3.574 9.835 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.760 3.548 8.331 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.226 4.121 7.500 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.635 2.466 7.221 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.927 1.907 10.167 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.809 0.762 9.129 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.514 1.284 10.677 1.00 0.00 H new ATOM 860 N GLN A 58 6.415 0.231 8.711 1.00 0.00 N ATOM 861 CA GLN A 58 7.628 -0.283 8.085 1.00 0.00 C ATOM 862 C GLN A 58 7.468 -0.358 6.570 1.00 0.00 C ATOM 863 O GLN A 58 6.431 0.020 6.026 1.00 0.00 O ATOM 864 CB GLN A 58 7.969 -1.666 8.643 1.00 0.00 C ATOM 865 CG GLN A 58 8.634 -1.623 10.010 1.00 0.00 C ATOM 866 CD GLN A 58 9.946 -0.864 9.997 1.00 0.00 C ATOM 867 OE1 GLN A 58 10.529 -0.627 8.938 1.00 0.00 O ATOM 868 NE2 GLN A 58 10.418 -0.478 11.176 1.00 0.00 N ATOM 0 H GLN A 58 5.684 -0.467 8.851 1.00 0.00 H new ATOM 0 HA GLN A 58 8.443 0.404 8.313 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.055 -2.257 8.711 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.629 -2.179 7.943 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.956 -1.157 10.725 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.811 -2.641 10.356 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.902 -0.696 12.028 1.00 0.00 H new ATOM 0 HE22 GLN A 58 11.297 0.037 11.230 1.00 0.00 H new ATOM 877 N ASP A 59 8.503 -0.847 5.895 1.00 0.00 N ATOM 878 CA ASP A 59 8.477 -0.973 4.443 1.00 0.00 C ATOM 879 C ASP A 59 8.186 -2.411 4.026 1.00 0.00 C ATOM 880 O ASP A 59 7.397 -2.656 3.113 1.00 0.00 O ATOM 881 CB ASP A 59 9.809 -0.516 3.847 1.00 0.00 C ATOM 882 CG ASP A 59 10.924 -1.516 4.085 1.00 0.00 C ATOM 883 OD1 ASP A 59 11.261 -1.759 5.263 1.00 0.00 O ATOM 884 OD2 ASP A 59 11.458 -2.056 3.094 1.00 0.00 O ATOM 0 H ASP A 59 9.370 -1.162 6.330 1.00 0.00 H new ATOM 0 HA ASP A 59 7.679 -0.336 4.062 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.689 -0.358 2.775 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.087 0.444 4.281 1.00 0.00 H new ATOM 889 N TRP A 60 8.829 -3.358 4.701 1.00 0.00 N ATOM 890 CA TRP A 60 8.640 -4.772 4.400 1.00 0.00 C ATOM 891 C TRP A 60 7.306 -5.271 4.944 1.00 0.00 C ATOM 892 O TRP A 60 6.769 -6.276 4.476 1.00 0.00 O ATOM 893 CB TRP A 60 9.785 -5.598 4.988 1.00 0.00 C ATOM 894 CG TRP A 60 9.596 -5.929 6.437 1.00 0.00 C ATOM 895 CD1 TRP A 60 8.928 -7.002 6.952 1.00 0.00 C ATOM 896 CD2 TRP A 60 10.080 -5.179 7.557 1.00 0.00 C ATOM 897 NE1 TRP A 60 8.967 -6.965 8.325 1.00 0.00 N ATOM 898 CE2 TRP A 60 9.668 -5.858 8.721 1.00 0.00 C ATOM 899 CE3 TRP A 60 10.823 -4.003 7.690 1.00 0.00 C ATOM 900 CZ2 TRP A 60 9.974 -5.396 9.999 1.00 0.00 C ATOM 901 CZ3 TRP A 60 11.125 -3.546 8.959 1.00 0.00 C ATOM 902 CH2 TRP A 60 10.702 -4.242 10.100 1.00 0.00 C ATOM 0 H TRP A 60 9.485 -3.172 5.460 1.00 0.00 H new ATOM 0 HA TRP A 60 8.636 -4.889 3.316 1.00 0.00 H new ATOM 0 HB2 TRP A 60 9.884 -6.524 4.421 1.00 0.00 H new ATOM 0 HB3 TRP A 60 10.719 -5.049 4.867 1.00 0.00 H new ATOM 0 HD1 TRP A 60 8.441 -7.767 6.367 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.542 -7.652 8.948 1.00 0.00 H new ATOM 0 HE3 TRP A 60 11.155 -3.461 6.817 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 9.648 -5.930 10.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 11.697 -2.637 9.074 1.00 0.00 H new ATOM 0 HH2 TRP A 60 10.956 -3.860 11.078 1.00 0.00 H new ATOM 913 N LEU A 61 6.775 -4.564 5.936 1.00 0.00 N ATOM 914 CA LEU A 61 5.502 -4.936 6.544 1.00 0.00 C ATOM 915 C LEU A 61 4.337 -4.597 5.620 1.00 0.00 C ATOM 916 O LEU A 61 4.266 -3.499 5.071 1.00 0.00 O ATOM 917 CB LEU A 61 5.328 -4.221 7.885 1.00 0.00 C ATOM 918 CG LEU A 61 6.289 -4.639 8.999 1.00 0.00 C ATOM 919 CD1 LEU A 61 5.905 -3.977 10.313 1.00 0.00 C ATOM 920 CD2 LEU A 61 6.307 -6.153 9.148 1.00 0.00 C ATOM 0 H LEU A 61 7.206 -3.731 6.336 1.00 0.00 H new ATOM 0 HA LEU A 61 5.508 -6.013 6.710 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.439 -3.149 7.720 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.308 -4.386 8.232 1.00 0.00 H new ATOM 0 HG LEU A 61 7.292 -4.308 8.729 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.600 -4.287 11.093 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.945 -2.894 10.200 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.894 -4.276 10.589 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.996 -6.432 9.945 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.306 -6.506 9.394 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.632 -6.607 8.212 1.00 0.00 H new ATOM 932 N GLY A 62 3.424 -5.549 5.454 1.00 0.00 N ATOM 933 CA GLY A 62 2.273 -5.332 4.597 1.00 0.00 C ATOM 934 C GLY A 62 1.206 -4.486 5.263 1.00 0.00 C ATOM 935 O GLY A 62 1.168 -4.373 6.489 1.00 0.00 O ATOM 0 H GLY A 62 3.461 -6.467 5.898 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.596 -4.846 3.676 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.846 -6.295 4.316 1.00 0.00 H new ATOM 939 N LEU A 63 0.338 -3.888 4.454 1.00 0.00 N ATOM 940 CA LEU A 63 -0.735 -3.046 4.972 1.00 0.00 C ATOM 941 C LEU A 63 -1.687 -3.854 5.848 1.00 0.00 C ATOM 942 O LEU A 63 -2.411 -3.297 6.672 1.00 0.00 O ATOM 943 CB LEU A 63 -1.506 -2.402 3.819 1.00 0.00 C ATOM 944 CG LEU A 63 -0.912 -1.113 3.251 1.00 0.00 C ATOM 945 CD1 LEU A 63 0.176 -1.428 2.236 1.00 0.00 C ATOM 946 CD2 LEU A 63 -2.000 -0.256 2.620 1.00 0.00 C ATOM 0 H LEU A 63 0.356 -3.970 3.438 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.286 -2.263 5.583 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.585 -3.129 3.011 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.520 -2.192 4.159 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.464 -0.551 4.071 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.587 -0.498 1.843 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.969 -2.000 2.718 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.247 -2.012 1.419 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.558 0.657 2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.478 -0.811 1.812 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.744 0.000 3.374 1.00 0.00 H new ATOM 958 N GLY A 64 -1.680 -5.170 5.663 1.00 0.00 N ATOM 959 CA GLY A 64 -2.546 -6.034 6.445 1.00 0.00 C ATOM 960 C GLY A 64 -1.944 -6.395 7.788 1.00 0.00 C ATOM 961 O GLY A 64 -2.642 -6.417 8.803 1.00 0.00 O ATOM 0 H GLY A 64 -1.090 -5.654 4.986 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.504 -5.538 6.601 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.747 -6.946 5.883 1.00 0.00 H new ATOM 965 N ILE A 65 -0.646 -6.681 7.796 1.00 0.00 N ATOM 966 CA ILE A 65 0.048 -7.044 9.025 1.00 0.00 C ATOM 967 C ILE A 65 -0.375 -6.145 10.182 1.00 0.00 C ATOM 968 O ILE A 65 -0.476 -6.591 11.325 1.00 0.00 O ATOM 969 CB ILE A 65 1.576 -6.957 8.855 1.00 0.00 C ATOM 970 CG1 ILE A 65 2.084 -8.128 8.011 1.00 0.00 C ATOM 971 CG2 ILE A 65 2.260 -6.941 10.214 1.00 0.00 C ATOM 972 CD1 ILE A 65 1.617 -9.478 8.507 1.00 0.00 C ATOM 0 H ILE A 65 -0.054 -6.668 6.965 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.227 -8.075 9.250 1.00 0.00 H new ATOM 0 HB ILE A 65 1.817 -6.028 8.338 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.753 -7.994 6.981 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.174 -8.111 8.000 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.340 -6.879 10.077 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.917 -6.078 10.784 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.015 -7.854 10.756 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.015 -10.261 7.861 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.971 -9.634 9.526 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.528 -9.514 8.492 1.00 0.00 H new ATOM 984 N TYR A 66 -0.624 -4.876 9.877 1.00 0.00 N ATOM 985 CA TYR A 66 -1.036 -3.913 10.891 1.00 0.00 C ATOM 986 C TYR A 66 -2.540 -3.990 11.136 1.00 0.00 C ATOM 987 O TYR A 66 -2.994 -4.014 12.279 1.00 0.00 O ATOM 988 CB TYR A 66 -0.649 -2.495 10.466 1.00 0.00 C ATOM 989 CG TYR A 66 0.783 -2.136 10.789 1.00 0.00 C ATOM 990 CD1 TYR A 66 1.167 -1.829 12.089 1.00 0.00 C ATOM 991 CD2 TYR A 66 1.753 -2.104 9.795 1.00 0.00 C ATOM 992 CE1 TYR A 66 2.474 -1.500 12.389 1.00 0.00 C ATOM 993 CE2 TYR A 66 3.064 -1.777 10.086 1.00 0.00 C ATOM 994 CZ TYR A 66 3.419 -1.475 11.384 1.00 0.00 C ATOM 995 OH TYR A 66 4.723 -1.149 11.679 1.00 0.00 O ATOM 0 H TYR A 66 -0.548 -4.491 8.936 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.522 -4.160 11.820 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.808 -2.390 9.393 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -1.313 -1.784 10.957 1.00 0.00 H new ATOM 0 HD1 TYR A 66 0.430 -1.848 12.878 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.478 -2.339 8.777 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.755 -1.264 13.405 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.806 -1.758 9.302 1.00 0.00 H new ATOM 0 HH TYR A 66 4.768 -0.215 11.972 1.00 0.00 H new ATOM 1005 N GLY A 67 -3.309 -4.028 10.051 1.00 0.00 N ATOM 1006 CA GLY A 67 -4.753 -4.102 10.168 1.00 0.00 C ATOM 1007 C GLY A 67 -5.444 -2.872 9.613 1.00 0.00 C ATOM 1008 O GLY A 67 -6.564 -2.549 10.009 1.00 0.00 O ATOM 0 H GLY A 67 -2.957 -4.009 9.094 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.112 -4.986 9.641 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.024 -4.225 11.217 1.00 0.00 H new ATOM 1012 N ILE A 68 -4.774 -2.184 8.694 1.00 0.00 N ATOM 1013 CA ILE A 68 -5.331 -0.982 8.084 1.00 0.00 C ATOM 1014 C ILE A 68 -6.596 -1.302 7.295 1.00 0.00 C ATOM 1015 O ILE A 68 -6.651 -2.293 6.568 1.00 0.00 O ATOM 1016 CB ILE A 68 -4.313 -0.303 7.149 1.00 0.00 C ATOM 1017 CG1 ILE A 68 -3.045 0.066 7.921 1.00 0.00 C ATOM 1018 CG2 ILE A 68 -4.927 0.932 6.507 1.00 0.00 C ATOM 1019 CD1 ILE A 68 -1.824 0.214 7.041 1.00 0.00 C ATOM 0 H ILE A 68 -3.846 -2.438 8.356 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.577 -0.299 8.897 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.043 -1.004 6.359 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.214 1.001 8.455 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.851 -0.700 8.672 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.196 1.402 5.849 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.804 0.643 5.928 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.222 1.638 7.284 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.962 0.476 7.655 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.630 -0.727 6.527 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.998 1.000 6.306 1.00 0.00 H new ATOM 1031 N GLN A 69 -7.609 -0.455 7.443 1.00 0.00 N ATOM 1032 CA GLN A 69 -8.873 -0.647 6.743 1.00 0.00 C ATOM 1033 C GLN A 69 -9.086 0.441 5.695 1.00 0.00 C ATOM 1034 O GLN A 69 -8.542 1.540 5.807 1.00 0.00 O ATOM 1035 CB GLN A 69 -10.036 -0.648 7.737 1.00 0.00 C ATOM 1036 CG GLN A 69 -10.108 0.608 8.591 1.00 0.00 C ATOM 1037 CD GLN A 69 -10.949 0.418 9.838 1.00 0.00 C ATOM 1038 OE1 GLN A 69 -11.420 -0.683 10.121 1.00 0.00 O ATOM 1039 NE2 GLN A 69 -11.141 1.494 10.592 1.00 0.00 N ATOM 0 H GLN A 69 -7.579 0.371 8.041 1.00 0.00 H new ATOM 0 HA GLN A 69 -8.836 -1.612 6.237 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -10.972 -0.759 7.189 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -9.945 -1.516 8.390 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -9.100 0.905 8.879 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -10.523 1.423 7.998 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -10.732 2.388 10.319 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -11.698 1.427 11.444 1.00 0.00 H new ATOM 1048 N ASP A 70 -9.879 0.128 4.677 1.00 0.00 N ATOM 1049 CA ASP A 70 -10.165 1.078 3.609 1.00 0.00 C ATOM 1050 C ASP A 70 -10.719 2.382 4.175 1.00 0.00 C ATOM 1051 O ASP A 70 -11.374 2.388 5.218 1.00 0.00 O ATOM 1052 CB ASP A 70 -11.157 0.477 2.613 1.00 0.00 C ATOM 1053 CG ASP A 70 -12.388 -0.090 3.293 1.00 0.00 C ATOM 1054 OD1 ASP A 70 -12.884 0.544 4.249 1.00 0.00 O ATOM 1055 OD2 ASP A 70 -12.856 -1.167 2.870 1.00 0.00 O ATOM 0 H ASP A 70 -10.336 -0.778 4.569 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.231 1.296 3.091 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.460 1.243 1.899 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.664 -0.311 2.044 1.00 0.00 H new ATOM 1060 N SER A 71 -10.453 3.484 3.481 1.00 0.00 N ATOM 1061 CA SER A 71 -10.921 4.794 3.918 1.00 0.00 C ATOM 1062 C SER A 71 -10.221 5.220 5.204 1.00 0.00 C ATOM 1063 O SER A 71 -10.824 5.852 6.072 1.00 0.00 O ATOM 1064 CB SER A 71 -12.436 4.772 4.131 1.00 0.00 C ATOM 1065 OG SER A 71 -12.966 6.086 4.160 1.00 0.00 O ATOM 0 H SER A 71 -9.916 3.496 2.614 1.00 0.00 H new ATOM 0 HA SER A 71 -10.681 5.517 3.138 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.911 4.203 3.332 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.668 4.262 5.066 1.00 0.00 H new ATOM 0 HG SER A 71 -12.484 6.619 4.827 1.00 0.00 H new ATOM 1071 N ASP A 72 -8.945 4.870 5.319 1.00 0.00 N ATOM 1072 CA ASP A 72 -8.160 5.217 6.499 1.00 0.00 C ATOM 1073 C ASP A 72 -7.366 6.498 6.266 1.00 0.00 C ATOM 1074 O ASP A 72 -7.234 6.963 5.133 1.00 0.00 O ATOM 1075 CB ASP A 72 -7.213 4.073 6.862 1.00 0.00 C ATOM 1076 CG ASP A 72 -6.321 3.670 5.704 1.00 0.00 C ATOM 1077 OD1 ASP A 72 -6.853 3.167 4.693 1.00 0.00 O ATOM 1078 OD2 ASP A 72 -5.091 3.858 5.808 1.00 0.00 O ATOM 0 H ASP A 72 -8.432 4.346 4.610 1.00 0.00 H new ATOM 0 HA ASP A 72 -8.849 5.384 7.327 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -6.593 4.373 7.707 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.796 3.211 7.185 1.00 0.00 H new ATOM 1083 N THR A 73 -6.837 7.065 7.346 1.00 0.00 N ATOM 1084 CA THR A 73 -6.057 8.294 7.259 1.00 0.00 C ATOM 1085 C THR A 73 -4.622 8.067 7.719 1.00 0.00 C ATOM 1086 O THR A 73 -4.372 7.786 8.892 1.00 0.00 O ATOM 1087 CB THR A 73 -6.684 9.418 8.106 1.00 0.00 C ATOM 1088 OG1 THR A 73 -8.046 9.625 7.714 1.00 0.00 O ATOM 1089 CG2 THR A 73 -5.903 10.713 7.949 1.00 0.00 C ATOM 0 H THR A 73 -6.934 6.693 8.291 1.00 0.00 H new ATOM 0 HA THR A 73 -6.057 8.595 6.212 1.00 0.00 H new ATOM 0 HB THR A 73 -6.650 9.117 9.153 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.438 10.340 8.258 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.364 11.492 8.556 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.875 10.560 8.276 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.910 11.017 6.902 1.00 0.00 H new ATOM 1097 N LEU A 74 -3.681 8.191 6.790 1.00 0.00 N ATOM 1098 CA LEU A 74 -2.269 8.000 7.100 1.00 0.00 C ATOM 1099 C LEU A 74 -1.532 9.336 7.130 1.00 0.00 C ATOM 1100 O LEU A 74 -1.540 10.082 6.150 1.00 0.00 O ATOM 1101 CB LEU A 74 -1.621 7.071 6.072 1.00 0.00 C ATOM 1102 CG LEU A 74 -2.347 5.751 5.810 1.00 0.00 C ATOM 1103 CD1 LEU A 74 -1.731 5.030 4.621 1.00 0.00 C ATOM 1104 CD2 LEU A 74 -2.311 4.867 7.049 1.00 0.00 C ATOM 0 H LEU A 74 -3.871 8.423 5.815 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.198 7.544 8.088 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.536 7.609 5.128 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.607 6.846 6.403 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.388 5.972 5.576 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.261 4.093 4.450 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.809 5.659 3.734 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.681 4.821 4.826 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.832 3.932 6.844 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.275 4.654 7.314 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.799 5.381 7.877 1.00 0.00 H new ATOM 1116 N ILE A 75 -0.897 9.630 8.259 1.00 0.00 N ATOM 1117 CA ILE A 75 -0.153 10.874 8.414 1.00 0.00 C ATOM 1118 C ILE A 75 1.218 10.781 7.753 1.00 0.00 C ATOM 1119 O ILE A 75 2.011 9.891 8.065 1.00 0.00 O ATOM 1120 CB ILE A 75 0.029 11.240 9.899 1.00 0.00 C ATOM 1121 CG1 ILE A 75 -1.324 11.248 10.614 1.00 0.00 C ATOM 1122 CG2 ILE A 75 0.713 12.592 10.032 1.00 0.00 C ATOM 1123 CD1 ILE A 75 -2.289 12.277 10.068 1.00 0.00 C ATOM 0 H ILE A 75 -0.883 9.024 9.080 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.737 11.654 7.925 1.00 0.00 H new ATOM 0 HB ILE A 75 0.662 10.487 10.368 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.775 10.259 10.532 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.164 11.439 11.675 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.834 12.836 11.087 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.692 12.553 9.554 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.104 13.357 9.550 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.227 12.226 10.622 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.858 13.273 10.175 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.479 12.075 9.014 1.00 0.00 H new ATOM 1135 N LEU A 76 1.493 11.706 6.841 1.00 0.00 N ATOM 1136 CA LEU A 76 2.771 11.731 6.137 1.00 0.00 C ATOM 1137 C LEU A 76 3.634 12.893 6.615 1.00 0.00 C ATOM 1138 O LEU A 76 3.192 14.042 6.633 1.00 0.00 O ATOM 1139 CB LEU A 76 2.542 11.838 4.628 1.00 0.00 C ATOM 1140 CG LEU A 76 3.792 12.045 3.772 1.00 0.00 C ATOM 1141 CD1 LEU A 76 4.373 10.707 3.343 1.00 0.00 C ATOM 1142 CD2 LEU A 76 3.470 12.904 2.558 1.00 0.00 C ATOM 0 H LEU A 76 0.848 12.449 6.571 1.00 0.00 H new ATOM 0 HA LEU A 76 3.295 10.800 6.354 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.042 10.930 4.291 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.858 12.666 4.442 1.00 0.00 H new ATOM 0 HG LEU A 76 4.539 12.565 4.372 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.262 10.875 2.735 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.642 10.127 4.226 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.633 10.159 2.760 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.371 13.041 1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.706 12.411 1.956 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.102 13.876 2.887 1.00 0.00 H new ATOM 1154 N SER A 77 4.869 12.588 7.000 1.00 0.00 N ATOM 1155 CA SER A 77 5.795 13.607 7.480 1.00 0.00 C ATOM 1156 C SER A 77 7.228 13.271 7.080 1.00 0.00 C ATOM 1157 O SER A 77 7.584 12.103 6.923 1.00 0.00 O ATOM 1158 CB SER A 77 5.696 13.740 9.001 1.00 0.00 C ATOM 1159 OG SER A 77 5.990 15.062 9.417 1.00 0.00 O ATOM 0 H SER A 77 5.252 11.643 6.989 1.00 0.00 H new ATOM 0 HA SER A 77 5.521 14.557 7.020 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.693 13.467 9.329 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.387 13.044 9.476 1.00 0.00 H new ATOM 0 HG SER A 77 5.918 15.122 10.393 1.00 0.00 H new ATOM 1165 N LYS A 78 8.047 14.304 6.916 1.00 0.00 N ATOM 1166 CA LYS A 78 9.443 14.121 6.535 1.00 0.00 C ATOM 1167 C LYS A 78 10.305 13.816 7.756 1.00 0.00 C ATOM 1168 O LYS A 78 10.027 14.288 8.859 1.00 0.00 O ATOM 1169 CB LYS A 78 9.968 15.373 5.827 1.00 0.00 C ATOM 1170 CG LYS A 78 11.044 15.082 4.796 1.00 0.00 C ATOM 1171 CD LYS A 78 11.906 16.305 4.529 1.00 0.00 C ATOM 1172 CE LYS A 78 11.276 17.213 3.484 1.00 0.00 C ATOM 1173 NZ LYS A 78 11.854 18.585 3.521 1.00 0.00 N ATOM 0 H LYS A 78 7.768 15.277 7.041 1.00 0.00 H new ATOM 0 HA LYS A 78 9.499 13.274 5.852 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.136 15.880 5.338 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.367 16.061 6.572 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.672 14.262 5.146 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.579 14.753 3.866 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.049 16.860 5.456 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.893 15.989 4.191 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.423 16.783 2.493 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.200 17.267 3.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.399 19.173 2.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.691 19.005 4.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.876 18.536 3.336 1.00 0.00 H new ATOM 1187 N LYS A 79 11.352 13.025 7.552 1.00 0.00 N ATOM 1188 CA LYS A 79 12.257 12.658 8.635 1.00 0.00 C ATOM 1189 C LYS A 79 13.132 13.841 9.037 1.00 0.00 C ATOM 1190 O LYS A 79 13.391 14.737 8.233 1.00 0.00 O ATOM 1191 CB LYS A 79 13.137 11.479 8.215 1.00 0.00 C ATOM 1192 CG LYS A 79 12.357 10.319 7.620 1.00 0.00 C ATOM 1193 CD LYS A 79 13.037 8.989 7.896 1.00 0.00 C ATOM 1194 CE LYS A 79 12.431 7.869 7.064 1.00 0.00 C ATOM 1195 NZ LYS A 79 12.944 6.533 7.475 1.00 0.00 N ATOM 0 H LYS A 79 11.595 12.625 6.646 1.00 0.00 H new ATOM 0 HA LYS A 79 11.654 12.365 9.495 1.00 0.00 H new ATOM 0 HB2 LYS A 79 13.870 11.825 7.486 1.00 0.00 H new ATOM 0 HB3 LYS A 79 13.693 11.125 9.083 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.349 10.306 8.035 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.257 10.461 6.544 1.00 0.00 H new ATOM 0 HD2 LYS A 79 14.102 9.071 7.677 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.947 8.746 8.955 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.346 7.888 7.165 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.656 8.036 6.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.507 5.797 6.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.977 6.506 7.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.707 6.362 8.473 1.00 0.00 H new ATOM 1209 N LYS A 80 13.587 13.837 10.285 1.00 0.00 N ATOM 1210 CA LYS A 80 14.436 14.908 10.794 1.00 0.00 C ATOM 1211 C LYS A 80 15.882 14.440 10.927 1.00 0.00 C ATOM 1212 O LYS A 80 16.234 13.746 11.880 1.00 0.00 O ATOM 1213 CB LYS A 80 13.920 15.396 12.149 1.00 0.00 C ATOM 1214 CG LYS A 80 14.319 16.825 12.474 1.00 0.00 C ATOM 1215 CD LYS A 80 15.699 16.889 13.107 1.00 0.00 C ATOM 1216 CE LYS A 80 16.088 18.318 13.454 1.00 0.00 C ATOM 1217 NZ LYS A 80 16.229 19.165 12.238 1.00 0.00 N ATOM 0 H LYS A 80 13.382 13.103 10.963 1.00 0.00 H new ATOM 0 HA LYS A 80 14.404 15.732 10.082 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.833 15.319 12.163 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.296 14.736 12.931 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.308 17.423 11.563 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.586 17.263 13.152 1.00 0.00 H new ATOM 0 HD2 LYS A 80 15.715 16.277 14.009 1.00 0.00 H new ATOM 0 HD3 LYS A 80 16.434 16.467 12.422 1.00 0.00 H new ATOM 0 HE2 LYS A 80 15.334 18.750 14.112 1.00 0.00 H new ATOM 0 HE3 LYS A 80 17.028 18.315 14.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 16.671 20.070 12.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 16.824 18.674 11.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 15.290 19.343 11.828 1.00 0.00 H new ATOM 1231 N GLY A 81 16.715 14.826 9.966 1.00 0.00 N ATOM 1232 CA GLY A 81 18.113 14.437 9.996 1.00 0.00 C ATOM 1233 C GLY A 81 18.966 15.265 9.055 1.00 0.00 C ATOM 1234 O GLY A 81 19.422 14.771 8.023 1.00 0.00 O ATOM 0 H GLY A 81 16.447 15.401 9.167 1.00 0.00 H new ATOM 0 HA2 GLY A 81 18.494 14.540 11.012 1.00 0.00 H new ATOM 0 HA3 GLY A 81 18.200 13.384 9.728 1.00 0.00 H new ATOM 1238 N SER A 82 19.180 16.528 9.409 1.00 0.00 N ATOM 1239 CA SER A 82 19.979 17.428 8.585 1.00 0.00 C ATOM 1240 C SER A 82 21.334 16.808 8.261 1.00 0.00 C ATOM 1241 O SER A 82 22.014 16.279 9.139 1.00 0.00 O ATOM 1242 CB SER A 82 20.176 18.767 9.299 1.00 0.00 C ATOM 1243 OG SER A 82 20.693 19.745 8.414 1.00 0.00 O ATOM 0 H SER A 82 18.811 16.951 10.261 1.00 0.00 H new ATOM 0 HA SER A 82 19.444 17.597 7.651 1.00 0.00 H new ATOM 0 HB2 SER A 82 19.225 19.108 9.708 1.00 0.00 H new ATOM 0 HB3 SER A 82 20.856 18.637 10.141 1.00 0.00 H new ATOM 0 HG SER A 82 20.808 20.592 8.894 1.00 0.00 H new ATOM 1249 N GLY A 83 21.721 16.877 6.990 1.00 0.00 N ATOM 1250 CA GLY A 83 22.993 16.319 6.571 1.00 0.00 C ATOM 1251 C GLY A 83 23.308 16.621 5.119 1.00 0.00 C ATOM 1252 O GLY A 83 22.419 16.691 4.270 1.00 0.00 O ATOM 0 H GLY A 83 21.176 17.309 6.244 1.00 0.00 H new ATOM 0 HA2 GLY A 83 23.787 16.718 7.202 1.00 0.00 H new ATOM 0 HA3 GLY A 83 22.979 15.239 6.720 1.00 0.00 H new ATOM 1256 N PRO A 84 24.601 16.807 4.816 1.00 0.00 N ATOM 1257 CA PRO A 84 25.061 17.107 3.457 1.00 0.00 C ATOM 1258 C PRO A 84 24.911 15.915 2.518 1.00 0.00 C ATOM 1259 O PRO A 84 24.673 16.081 1.321 1.00 0.00 O ATOM 1260 CB PRO A 84 26.540 17.452 3.650 1.00 0.00 C ATOM 1261 CG PRO A 84 26.935 16.740 4.898 1.00 0.00 C ATOM 1262 CD PRO A 84 25.715 16.737 5.777 1.00 0.00 C ATOM 0 HA PRO A 84 24.479 17.906 2.998 1.00 0.00 H new ATOM 0 HB2 PRO A 84 27.138 17.122 2.800 1.00 0.00 H new ATOM 0 HB3 PRO A 84 26.687 18.528 3.745 1.00 0.00 H new ATOM 0 HG2 PRO A 84 27.262 15.723 4.680 1.00 0.00 H new ATOM 0 HG3 PRO A 84 27.768 17.244 5.388 1.00 0.00 H new ATOM 0 HD2 PRO A 84 25.662 15.836 6.388 1.00 0.00 H new ATOM 0 HD3 PRO A 84 25.710 17.586 6.460 1.00 0.00 H new ATOM 1270 N SER A 85 25.052 14.713 3.067 1.00 0.00 N ATOM 1271 CA SER A 85 24.935 13.493 2.277 1.00 0.00 C ATOM 1272 C SER A 85 23.557 12.861 2.453 1.00 0.00 C ATOM 1273 O SER A 85 22.900 13.054 3.476 1.00 0.00 O ATOM 1274 CB SER A 85 26.021 12.494 2.680 1.00 0.00 C ATOM 1275 OG SER A 85 25.628 11.742 3.815 1.00 0.00 O ATOM 0 H SER A 85 25.247 14.558 4.056 1.00 0.00 H new ATOM 0 HA SER A 85 25.064 13.756 1.227 1.00 0.00 H new ATOM 0 HB2 SER A 85 26.227 11.821 1.848 1.00 0.00 H new ATOM 0 HB3 SER A 85 26.947 13.027 2.896 1.00 0.00 H new ATOM 0 HG SER A 85 26.339 11.110 4.051 1.00 0.00 H new ATOM 1281 N SER A 86 23.127 12.105 1.448 1.00 0.00 N ATOM 1282 CA SER A 86 21.826 11.448 1.489 1.00 0.00 C ATOM 1283 C SER A 86 21.890 10.075 0.825 1.00 0.00 C ATOM 1284 O SER A 86 22.773 9.807 0.012 1.00 0.00 O ATOM 1285 CB SER A 86 20.772 12.313 0.795 1.00 0.00 C ATOM 1286 OG SER A 86 20.938 12.290 -0.612 1.00 0.00 O ATOM 0 H SER A 86 23.660 11.932 0.596 1.00 0.00 H new ATOM 0 HA SER A 86 21.546 11.315 2.534 1.00 0.00 H new ATOM 0 HB2 SER A 86 19.776 11.954 1.052 1.00 0.00 H new ATOM 0 HB3 SER A 86 20.844 13.339 1.156 1.00 0.00 H new ATOM 0 HG SER A 86 20.251 12.849 -1.032 1.00 0.00 H new ATOM 1292 N GLY A 87 20.946 9.209 1.180 1.00 0.00 N ATOM 1293 CA GLY A 87 20.912 7.874 0.611 1.00 0.00 C ATOM 1294 C GLY A 87 20.535 7.880 -0.857 1.00 0.00 C ATOM 1295 O GLY A 87 21.061 8.674 -1.637 1.00 0.00 O ATOM 0 H GLY A 87 20.204 9.408 1.851 1.00 0.00 H new ATOM 0 HA2 GLY A 87 21.889 7.406 0.730 1.00 0.00 H new ATOM 0 HA3 GLY A 87 20.197 7.265 1.164 1.00 0.00 H new TER 1299 GLY A 87