USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 959 hydrogens (13 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 2 PTR HN2 : B 2 PTR N : B 1 THR C :(H bumps) USER MOD Set 1.1: A 50 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 67 LYS NZ :NH3+ 173:sc= -3.73! (180deg=-3.82!) USER MOD Set 2.1: A 53 CYS SG : rot 166:sc= -0.913! USER MOD Set 2.2: A 62 HIS : no HE2:sc= -5.35! C(o=-6.3!,f=-21!) USER MOD Set 3.1: A 36 ASN : amide:sc= -10.7! C(o=-16!,f=-15!) USER MOD Set 3.2: A 56 HIS : no HD1:sc= -5.1 K(o=-16,f=-22!) USER MOD Set 4.1: A 17 HIS : no HD1:sc= -3.7 K(o=-17,f=-14) USER MOD Set 4.2: A 107 GLN : amide:sc= -13! C(o=-17!,f=-14!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.362 X(o=-0.36,f=-0.19) USER MOD Single : A 12 LYS NZ :NH3+ -177:sc= -3.25! (180deg=-3.44!) USER MOD Single : A 13 MET CE :methyl -120:sc= -4.16! (180deg=-7.27!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 153:sc= -1.68! USER MOD Single : A 25 SER OG : rot -49:sc= 0.388 USER MOD Single : A 27 GLN : amide:sc= -0.641 K(o=-0.64,f=-1.2) USER MOD Single : A 33 SER OG : rot -3:sc= -3.1! USER MOD Single : A 34 LYS NZ :NH3+ -110:sc= -1.23 (180deg=-3.58!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 168:sc= -0.245 (180deg=-0.354) USER MOD Single : A 46 ASN : amide:sc= -0.0376 K(o=-0.038,f=-0.88!) USER MOD Single : A 47 ASN : amide:sc= -0.175 X(o=-0.18,f=-0.5) USER MOD Single : A 49 SER OG : rot 180:sc= -0.214 USER MOD Single : A 59 LYS NZ :NH3+ -156:sc= -0.0794 (180deg=-0.429) USER MOD Single : A 63 TYR OH : rot 60:sc=-0.00363 USER MOD Single : A 69 LYS NZ :NH3+ 171:sc=-0.00274 (180deg=-0.125) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= -0.292 USER MOD Single : A 79 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00804) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.268 K(o=-0.27,f=-0.98) USER MOD Single : A 90 HIS : no HD1:sc= -1.37 K(o=-1.4,f=-0.48) USER MOD Single : A 91 TYR OH : rot -100:sc= -0.436 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 159:sc= -0.272 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 159:sc= -16.7! USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc=-0.00669 X(o=-0.0067,f=-0.081) USER MOD Single : B 1 THR OG1 : rot -150:sc= 0 USER MOD Single : B 4 THR OG1 : rot 180:sc= 0.00899 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.037 -10.005 -7.023 1.00 0.00 N ATOM 2 CA GLY A 1 -17.143 -10.898 -7.347 1.00 0.00 C ATOM 3 C GLY A 1 -16.807 -12.363 -7.063 1.00 0.00 C ATOM 4 O GLY A 1 -17.369 -12.997 -6.179 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.311 -9.024 -7.232 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.805 -10.092 -6.013 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.206 -10.261 -7.593 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.021 -10.610 -6.769 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.403 -10.784 -8.399 1.00 0.00 H new ATOM 10 N SER A 2 -15.852 -12.851 -7.876 1.00 0.00 N ATOM 11 CA SER A 2 -15.440 -14.234 -7.711 1.00 0.00 C ATOM 12 C SER A 2 -14.678 -14.384 -6.394 1.00 0.00 C ATOM 13 O SER A 2 -15.239 -14.715 -5.357 1.00 0.00 O ATOM 14 CB SER A 2 -14.564 -14.649 -8.891 1.00 0.00 C ATOM 15 OG SER A 2 -15.266 -14.514 -10.101 1.00 0.00 O ATOM 0 H SER A 2 -15.379 -12.330 -8.614 1.00 0.00 H new ATOM 0 HA SER A 2 -16.316 -14.881 -7.683 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.664 -14.035 -8.916 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.241 -15.682 -8.765 1.00 0.00 H new ATOM 0 HG SER A 2 -14.689 -14.783 -10.846 1.00 0.00 H new ATOM 21 N ARG A 3 -13.364 -14.118 -6.511 1.00 0.00 N ATOM 22 CA ARG A 3 -12.526 -14.224 -5.330 1.00 0.00 C ATOM 23 C ARG A 3 -13.184 -13.476 -4.172 1.00 0.00 C ATOM 24 O ARG A 3 -14.110 -12.694 -4.350 1.00 0.00 O ATOM 25 CB ARG A 3 -11.146 -13.644 -5.631 1.00 0.00 C ATOM 26 CG ARG A 3 -11.201 -12.126 -5.812 1.00 0.00 C ATOM 27 CD ARG A 3 -9.876 -11.576 -6.340 1.00 0.00 C ATOM 28 NE ARG A 3 -9.903 -10.124 -6.355 1.00 0.00 N ATOM 29 CZ ARG A 3 -9.083 -9.468 -7.198 1.00 0.00 C ATOM 30 NH1 ARG A 3 -8.269 -10.146 -8.003 1.00 0.00 N ATOM 31 NH2 ARG A 3 -9.086 -8.138 -7.226 1.00 0.00 N ATOM 0 H ARG A 3 -12.889 -13.842 -7.371 1.00 0.00 H new ATOM 0 HA ARG A 3 -12.410 -15.271 -5.050 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -10.462 -13.890 -4.818 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -10.746 -14.105 -6.534 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -12.004 -11.870 -6.503 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -11.438 -11.653 -4.859 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -9.055 -11.925 -5.714 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -9.693 -11.953 -7.346 1.00 0.00 H new ATOM 0 HE ARG A 3 -10.532 -9.610 -5.738 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -8.265 -11.166 -7.983 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -7.649 -9.646 -8.640 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -9.709 -7.616 -6.609 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -8.465 -7.640 -7.864 1.00 0.00 H new ATOM 45 N ARG A 4 -12.643 -13.773 -2.975 1.00 0.00 N ATOM 46 CA ARG A 4 -13.183 -13.127 -1.789 1.00 0.00 C ATOM 47 C ARG A 4 -13.416 -11.644 -2.074 1.00 0.00 C ATOM 48 O ARG A 4 -12.489 -10.872 -2.285 1.00 0.00 O ATOM 49 CB ARG A 4 -12.211 -13.303 -0.624 1.00 0.00 C ATOM 50 CG ARG A 4 -10.784 -12.916 -1.017 1.00 0.00 C ATOM 51 CD ARG A 4 -9.854 -12.898 0.196 1.00 0.00 C ATOM 52 NE ARG A 4 -9.939 -14.154 0.917 1.00 0.00 N ATOM 53 CZ ARG A 4 -9.239 -14.291 2.059 1.00 0.00 C ATOM 54 NH1 ARG A 4 -8.484 -13.290 2.503 1.00 0.00 N ATOM 55 NH2 ARG A 4 -9.301 -15.430 2.744 1.00 0.00 N ATOM 0 H ARG A 4 -11.873 -14.423 -2.817 1.00 0.00 H new ATOM 0 HA ARG A 4 -14.136 -13.585 -1.523 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -12.536 -12.691 0.217 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -12.228 -14.340 -0.289 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -10.405 -13.621 -1.757 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -10.789 -11.933 -1.487 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -8.827 -12.726 -0.127 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -10.123 -12.073 0.856 1.00 0.00 H new ATOM 0 HE ARG A 4 -10.517 -14.918 0.566 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -8.435 -12.417 1.978 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -7.954 -13.396 3.368 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -9.879 -16.199 2.404 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -8.771 -15.534 3.609 1.00 0.00 H new ATOM 69 N ALA A 5 -14.718 -11.307 -2.065 1.00 0.00 N ATOM 70 CA ALA A 5 -15.078 -9.923 -2.321 1.00 0.00 C ATOM 71 C ALA A 5 -14.443 -9.030 -1.256 1.00 0.00 C ATOM 72 O ALA A 5 -13.333 -8.536 -1.406 1.00 0.00 O ATOM 73 CB ALA A 5 -16.600 -9.783 -2.312 1.00 0.00 C ATOM 0 H ALA A 5 -15.495 -11.945 -1.892 1.00 0.00 H new ATOM 0 HA ALA A 5 -14.708 -9.615 -3.299 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -16.871 -8.745 -2.504 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -17.028 -10.419 -3.087 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -16.987 -10.085 -1.339 1.00 0.00 H new ATOM 79 N SER A 6 -15.224 -8.860 -0.174 1.00 0.00 N ATOM 80 CA SER A 6 -14.731 -8.035 0.914 1.00 0.00 C ATOM 81 C SER A 6 -14.829 -8.810 2.224 1.00 0.00 C ATOM 82 O SER A 6 -15.906 -9.077 2.744 1.00 0.00 O ATOM 83 CB SER A 6 -15.542 -6.748 0.992 1.00 0.00 C ATOM 84 OG SER A 6 -15.427 -6.015 -0.201 1.00 0.00 O ATOM 0 H SER A 6 -16.151 -9.265 -0.042 1.00 0.00 H new ATOM 0 HA SER A 6 -13.687 -7.777 0.735 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.589 -6.983 1.180 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.195 -6.144 1.830 1.00 0.00 H new ATOM 0 HG SER A 6 -15.956 -5.193 -0.132 1.00 0.00 H new ATOM 90 N VAL A 7 -13.627 -9.147 2.715 1.00 0.00 N ATOM 91 CA VAL A 7 -13.558 -9.888 3.958 1.00 0.00 C ATOM 92 C VAL A 7 -12.353 -9.414 4.774 1.00 0.00 C ATOM 93 O VAL A 7 -12.424 -9.224 5.982 1.00 0.00 O ATOM 94 CB VAL A 7 -13.448 -11.376 3.643 1.00 0.00 C ATOM 95 CG1 VAL A 7 -11.988 -11.776 3.423 1.00 0.00 C ATOM 96 CG2 VAL A 7 -14.063 -12.208 4.769 1.00 0.00 C ATOM 0 H VAL A 7 -12.730 -8.924 2.283 1.00 0.00 H new ATOM 0 HA VAL A 7 -14.459 -9.716 4.548 1.00 0.00 H new ATOM 0 HB VAL A 7 -14.000 -11.572 2.724 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -11.932 -12.841 3.200 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -11.577 -11.208 2.588 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -11.413 -11.564 4.324 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -13.976 -13.267 4.528 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -13.537 -12.004 5.701 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -15.115 -11.947 4.881 1.00 0.00 H new ATOM 106 N GLY A 8 -11.247 -9.236 4.026 1.00 0.00 N ATOM 107 CA GLY A 8 -10.032 -8.786 4.674 1.00 0.00 C ATOM 108 C GLY A 8 -9.777 -9.564 5.967 1.00 0.00 C ATOM 109 O GLY A 8 -10.041 -9.094 7.067 1.00 0.00 O ATOM 0 H GLY A 8 -11.182 -9.392 3.020 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -9.187 -8.912 3.997 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.107 -7.721 4.895 1.00 0.00 H new ATOM 113 N SER A 9 -9.245 -10.779 5.752 1.00 0.00 N ATOM 114 CA SER A 9 -8.950 -11.620 6.899 1.00 0.00 C ATOM 115 C SER A 9 -7.575 -11.253 7.457 1.00 0.00 C ATOM 116 O SER A 9 -7.384 -11.099 8.657 1.00 0.00 O ATOM 117 CB SER A 9 -8.982 -13.087 6.477 1.00 0.00 C ATOM 118 OG SER A 9 -10.241 -13.426 5.952 1.00 0.00 O ATOM 0 H SER A 9 -9.023 -11.177 4.839 1.00 0.00 H new ATOM 0 HA SER A 9 -9.698 -11.463 7.676 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.209 -13.273 5.731 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.757 -13.722 7.334 1.00 0.00 H new ATOM 0 HG SER A 9 -10.241 -14.369 5.686 1.00 0.00 H new ATOM 124 N HIS A 10 -6.637 -11.120 6.500 1.00 0.00 N ATOM 125 CA HIS A 10 -5.281 -10.772 6.897 1.00 0.00 C ATOM 126 C HIS A 10 -4.377 -10.664 5.661 1.00 0.00 C ATOM 127 O HIS A 10 -3.452 -9.864 5.609 1.00 0.00 O ATOM 128 CB HIS A 10 -4.747 -11.836 7.854 1.00 0.00 C ATOM 129 CG HIS A 10 -3.646 -11.241 8.699 1.00 0.00 C ATOM 130 ND1 HIS A 10 -2.541 -11.917 9.083 1.00 0.00 N ATOM 131 CD2 HIS A 10 -3.567 -9.938 9.223 1.00 0.00 C ATOM 132 CE1 HIS A 10 -1.809 -11.061 9.818 1.00 0.00 C ATOM 133 NE2 HIS A 10 -2.407 -9.861 9.917 1.00 0.00 N ATOM 0 H HIS A 10 -6.790 -11.243 5.499 1.00 0.00 H new ATOM 0 HA HIS A 10 -5.288 -9.806 7.401 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.551 -12.205 8.491 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -4.369 -12.690 7.292 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -4.293 -9.149 9.096 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -0.860 -11.307 10.272 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -2.054 -9.047 10.420 1.00 0.00 H new ATOM 141 N GLU A 11 -4.711 -11.520 4.677 1.00 0.00 N ATOM 142 CA GLU A 11 -3.938 -11.530 3.458 1.00 0.00 C ATOM 143 C GLU A 11 -3.944 -10.150 2.816 1.00 0.00 C ATOM 144 O GLU A 11 -2.922 -9.488 2.709 1.00 0.00 O ATOM 145 CB GLU A 11 -4.554 -12.557 2.523 1.00 0.00 C ATOM 146 CG GLU A 11 -3.491 -13.419 1.854 1.00 0.00 C ATOM 147 CD GLU A 11 -2.700 -12.581 0.847 1.00 0.00 C ATOM 148 OE1 GLU A 11 -3.300 -12.089 -0.107 1.00 0.00 O ATOM 149 OE2 GLU A 11 -1.492 -12.431 1.028 1.00 0.00 O ATOM 0 H GLU A 11 -5.484 -12.184 4.713 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.901 -11.791 3.669 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.240 -13.193 3.082 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.143 -12.048 1.760 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.818 -13.831 2.606 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.960 -14.264 1.349 1.00 0.00 H new ATOM 156 N LYS A 12 -5.163 -9.775 2.393 1.00 0.00 N ATOM 157 CA LYS A 12 -5.320 -8.479 1.752 1.00 0.00 C ATOM 158 C LYS A 12 -4.100 -8.189 0.873 1.00 0.00 C ATOM 159 O LYS A 12 -3.097 -7.654 1.323 1.00 0.00 O ATOM 160 CB LYS A 12 -5.472 -7.425 2.838 1.00 0.00 C ATOM 161 CG LYS A 12 -6.938 -7.208 3.212 1.00 0.00 C ATOM 162 CD LYS A 12 -7.709 -6.520 2.087 1.00 0.00 C ATOM 163 CE LYS A 12 -9.220 -6.660 2.276 1.00 0.00 C ATOM 164 NZ LYS A 12 -9.709 -5.900 3.420 1.00 0.00 N ATOM 0 H LYS A 12 -6.014 -10.330 2.482 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.204 -8.469 1.114 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.912 -7.730 3.722 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.040 -6.484 2.496 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.402 -8.168 3.438 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.998 -6.604 4.117 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.442 -5.464 2.054 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.420 -6.952 1.129 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.729 -6.322 1.374 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.471 -7.712 2.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.729 -6.067 3.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.207 -6.204 4.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.540 -4.886 3.261 1.00 0.00 H new ATOM 178 N MET A 13 -4.265 -8.568 -0.407 1.00 0.00 N ATOM 179 CA MET A 13 -3.166 -8.374 -1.342 1.00 0.00 C ATOM 180 C MET A 13 -2.072 -9.395 -0.996 1.00 0.00 C ATOM 181 O MET A 13 -2.078 -10.001 0.068 1.00 0.00 O ATOM 182 CB MET A 13 -2.652 -6.932 -1.270 1.00 0.00 C ATOM 183 CG MET A 13 -3.762 -5.943 -0.902 1.00 0.00 C ATOM 184 SD MET A 13 -5.304 -6.357 -1.735 1.00 0.00 S ATOM 185 CE MET A 13 -4.861 -5.780 -3.382 1.00 0.00 C ATOM 0 H MET A 13 -5.109 -8.989 -0.795 1.00 0.00 H new ATOM 0 HA MET A 13 -3.495 -8.534 -2.369 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.852 -6.869 -0.533 1.00 0.00 H new ATOM 0 HB3 MET A 13 -2.222 -6.652 -2.232 1.00 0.00 H new ATOM 0 HG2 MET A 13 -3.915 -5.949 0.177 1.00 0.00 H new ATOM 0 HG3 MET A 13 -3.458 -4.933 -1.175 1.00 0.00 H new ATOM 0 HE1 MET A 13 -5.555 -5.000 -3.693 1.00 0.00 H new ATOM 0 HE2 MET A 13 -3.848 -5.379 -3.367 1.00 0.00 H new ATOM 0 HE3 MET A 13 -4.911 -6.612 -4.085 1.00 0.00 H new ATOM 195 N PRO A 14 -1.130 -9.560 -1.956 1.00 0.00 N ATOM 196 CA PRO A 14 -0.046 -10.514 -1.835 1.00 0.00 C ATOM 197 C PRO A 14 1.105 -9.966 -1.021 1.00 0.00 C ATOM 198 O PRO A 14 1.429 -10.435 0.063 1.00 0.00 O ATOM 199 CB PRO A 14 0.456 -10.711 -3.263 1.00 0.00 C ATOM 200 CG PRO A 14 -0.007 -9.473 -4.041 1.00 0.00 C ATOM 201 CD PRO A 14 -1.102 -8.813 -3.199 1.00 0.00 C ATOM 0 HA PRO A 14 -0.394 -11.423 -1.345 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.542 -10.805 -3.287 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.048 -11.623 -3.699 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.823 -8.786 -4.205 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -0.389 -9.753 -5.023 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.881 -7.761 -3.021 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -2.067 -8.855 -3.705 1.00 0.00 H new ATOM 209 N TRP A 15 1.707 -8.950 -1.651 1.00 0.00 N ATOM 210 CA TRP A 15 2.850 -8.329 -1.025 1.00 0.00 C ATOM 211 C TRP A 15 2.374 -7.339 0.045 1.00 0.00 C ATOM 212 O TRP A 15 2.765 -6.169 0.119 1.00 0.00 O ATOM 213 CB TRP A 15 3.729 -7.710 -2.107 1.00 0.00 C ATOM 214 CG TRP A 15 4.398 -8.844 -2.877 1.00 0.00 C ATOM 215 CD1 TRP A 15 4.053 -10.199 -2.799 1.00 0.00 C ATOM 216 CD2 TRP A 15 5.487 -8.748 -3.802 1.00 0.00 C ATOM 217 NE1 TRP A 15 4.864 -10.926 -3.620 1.00 0.00 N ATOM 218 CE2 TRP A 15 5.765 -10.075 -4.260 1.00 0.00 C ATOM 219 CE3 TRP A 15 6.232 -7.677 -4.271 1.00 0.00 C ATOM 220 CZ2 TRP A 15 6.782 -10.307 -5.177 1.00 0.00 C ATOM 221 CZ3 TRP A 15 7.273 -7.903 -5.209 1.00 0.00 C ATOM 222 CH2 TRP A 15 7.548 -9.219 -5.661 1.00 0.00 C ATOM 0 H TRP A 15 1.429 -8.563 -2.553 1.00 0.00 H new ATOM 0 HA TRP A 15 3.468 -9.059 -0.502 1.00 0.00 H new ATOM 0 HB2 TRP A 15 3.130 -7.095 -2.779 1.00 0.00 H new ATOM 0 HB3 TRP A 15 4.480 -7.057 -1.661 1.00 0.00 H new ATOM 0 HD1 TRP A 15 3.265 -10.606 -2.183 1.00 0.00 H new ATOM 0 HE1 TRP A 15 4.819 -11.937 -3.747 1.00 0.00 H new ATOM 0 HE3 TRP A 15 6.021 -6.676 -3.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 6.987 -11.311 -5.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 7.856 -7.072 -5.579 1.00 0.00 H new ATOM 0 HH2 TRP A 15 8.341 -9.391 -6.374 1.00 0.00 H new ATOM 233 N PHE A 16 1.459 -7.927 0.839 1.00 0.00 N ATOM 234 CA PHE A 16 0.893 -7.218 1.968 1.00 0.00 C ATOM 235 C PHE A 16 1.576 -7.723 3.237 1.00 0.00 C ATOM 236 O PHE A 16 1.035 -8.504 4.006 1.00 0.00 O ATOM 237 CB PHE A 16 -0.612 -7.484 2.022 1.00 0.00 C ATOM 238 CG PHE A 16 -1.232 -7.015 3.311 1.00 0.00 C ATOM 239 CD1 PHE A 16 -1.559 -5.651 3.493 1.00 0.00 C ATOM 240 CD2 PHE A 16 -1.508 -7.937 4.354 1.00 0.00 C ATOM 241 CE1 PHE A 16 -2.153 -5.212 4.697 1.00 0.00 C ATOM 242 CE2 PHE A 16 -2.102 -7.497 5.559 1.00 0.00 C ATOM 243 CZ PHE A 16 -2.425 -6.135 5.730 1.00 0.00 C ATOM 0 H PHE A 16 1.110 -8.877 0.711 1.00 0.00 H new ATOM 0 HA PHE A 16 1.051 -6.144 1.874 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.097 -6.982 1.185 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.794 -8.552 1.902 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.353 -4.940 2.706 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.263 -8.981 4.226 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.399 -4.169 4.828 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.308 -8.204 6.349 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.880 -5.798 6.650 1.00 0.00 H new ATOM 253 N HIS A 17 2.812 -7.248 3.380 1.00 0.00 N ATOM 254 CA HIS A 17 3.568 -7.647 4.548 1.00 0.00 C ATOM 255 C HIS A 17 3.331 -6.656 5.681 1.00 0.00 C ATOM 256 O HIS A 17 3.660 -5.479 5.597 1.00 0.00 O ATOM 257 CB HIS A 17 5.049 -7.709 4.209 1.00 0.00 C ATOM 258 CG HIS A 17 5.347 -9.018 3.519 1.00 0.00 C ATOM 259 ND1 HIS A 17 6.362 -9.838 3.866 1.00 0.00 N ATOM 260 CD2 HIS A 17 4.660 -9.603 2.440 1.00 0.00 C ATOM 261 CE1 HIS A 17 6.302 -10.890 3.032 1.00 0.00 C ATOM 262 NE2 HIS A 17 5.284 -10.771 2.162 1.00 0.00 N ATOM 0 H HIS A 17 3.286 -6.618 2.733 1.00 0.00 H new ATOM 0 HA HIS A 17 3.237 -8.635 4.868 1.00 0.00 H new ATOM 0 HB2 HIS A 17 5.322 -6.874 3.564 1.00 0.00 H new ATOM 0 HB3 HIS A 17 5.646 -7.619 5.117 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.799 -9.197 1.930 1.00 0.00 H new ATOM 0 HE1 HIS A 17 6.986 -11.726 3.057 1.00 0.00 H new ATOM 0 HE2 HIS A 17 5.030 -11.435 1.431 1.00 0.00 H new ATOM 270 N GLY A 18 2.737 -7.221 6.743 1.00 0.00 N ATOM 271 CA GLY A 18 2.465 -6.398 7.907 1.00 0.00 C ATOM 272 C GLY A 18 3.640 -6.438 8.894 1.00 0.00 C ATOM 273 O GLY A 18 3.478 -6.269 10.097 1.00 0.00 O ATOM 0 H GLY A 18 2.451 -8.198 6.812 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.282 -5.370 7.595 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.558 -6.748 8.401 1.00 0.00 H new ATOM 277 N LYS A 19 4.827 -6.674 8.300 1.00 0.00 N ATOM 278 CA LYS A 19 6.017 -6.745 9.125 1.00 0.00 C ATOM 279 C LYS A 19 6.948 -5.582 8.787 1.00 0.00 C ATOM 280 O LYS A 19 7.507 -4.931 9.662 1.00 0.00 O ATOM 281 CB LYS A 19 6.718 -8.080 8.884 1.00 0.00 C ATOM 282 CG LYS A 19 7.624 -8.459 10.056 1.00 0.00 C ATOM 283 CD LYS A 19 6.809 -8.793 11.307 1.00 0.00 C ATOM 284 CE LYS A 19 7.685 -9.401 12.403 1.00 0.00 C ATOM 285 NZ LYS A 19 8.667 -8.455 12.919 1.00 0.00 N ATOM 0 H LYS A 19 4.971 -6.811 7.300 1.00 0.00 H new ATOM 0 HA LYS A 19 5.742 -6.674 10.177 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.973 -8.861 8.732 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.309 -8.022 7.970 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.238 -9.316 9.781 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.305 -7.636 10.273 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.331 -7.889 11.683 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.013 -9.491 11.048 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.052 -9.746 13.221 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.201 -10.276 12.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.236 -8.914 13.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.290 -8.145 12.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.177 -7.630 13.321 1.00 0.00 H new ATOM 299 N ILE A 20 7.074 -5.362 7.463 1.00 0.00 N ATOM 300 CA ILE A 20 7.939 -4.278 7.033 1.00 0.00 C ATOM 301 C ILE A 20 7.601 -3.025 7.828 1.00 0.00 C ATOM 302 O ILE A 20 6.469 -2.795 8.236 1.00 0.00 O ATOM 303 CB ILE A 20 7.798 -4.021 5.533 1.00 0.00 C ATOM 304 CG1 ILE A 20 6.414 -4.433 5.027 1.00 0.00 C ATOM 305 CG2 ILE A 20 8.890 -4.769 4.771 1.00 0.00 C ATOM 306 CD1 ILE A 20 6.201 -4.028 3.562 1.00 0.00 C ATOM 0 H ILE A 20 6.614 -5.891 6.723 1.00 0.00 H new ATOM 0 HA ILE A 20 8.976 -4.557 7.219 1.00 0.00 H new ATOM 0 HB ILE A 20 7.910 -2.951 5.358 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.296 -5.512 5.127 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.647 -3.970 5.648 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.782 -4.581 3.703 1.00 0.00 H new ATOM 0 HG22 ILE A 20 9.868 -4.423 5.104 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.799 -5.838 4.962 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.207 -4.338 3.240 1.00 0.00 H new ATOM 0 HD12 ILE A 20 6.293 -2.946 3.467 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.952 -4.512 2.938 1.00 0.00 H new ATOM 318 N SER A 21 8.669 -2.240 8.017 1.00 0.00 N ATOM 319 CA SER A 21 8.516 -1.016 8.768 1.00 0.00 C ATOM 320 C SER A 21 8.167 0.133 7.824 1.00 0.00 C ATOM 321 O SER A 21 7.012 0.455 7.576 1.00 0.00 O ATOM 322 CB SER A 21 9.815 -0.735 9.518 1.00 0.00 C ATOM 323 OG SER A 21 10.914 -0.798 8.646 1.00 0.00 O ATOM 0 H SER A 21 9.609 -2.431 7.670 1.00 0.00 H new ATOM 0 HA SER A 21 7.704 -1.115 9.488 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.768 0.251 9.981 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.941 -1.460 10.323 1.00 0.00 H new ATOM 0 HG SER A 21 11.634 -0.226 8.985 1.00 0.00 H new ATOM 329 N ARG A 22 9.261 0.716 7.333 1.00 0.00 N ATOM 330 CA ARG A 22 9.145 1.834 6.414 1.00 0.00 C ATOM 331 C ARG A 22 10.385 1.826 5.525 1.00 0.00 C ATOM 332 O ARG A 22 10.329 1.998 4.313 1.00 0.00 O ATOM 333 CB ARG A 22 9.054 3.137 7.204 1.00 0.00 C ATOM 334 CG ARG A 22 7.707 3.830 7.004 1.00 0.00 C ATOM 335 CD ARG A 22 7.487 4.927 8.046 1.00 0.00 C ATOM 336 NE ARG A 22 8.633 5.818 8.089 1.00 0.00 N ATOM 337 CZ ARG A 22 8.880 6.506 9.220 1.00 0.00 C ATOM 338 NH1 ARG A 22 8.075 6.377 10.271 1.00 0.00 N ATOM 339 NH2 ARG A 22 9.931 7.320 9.285 1.00 0.00 N ATOM 0 H ARG A 22 10.216 0.436 7.554 1.00 0.00 H new ATOM 0 HA ARG A 22 8.247 1.750 5.802 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.202 2.930 8.264 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.857 3.806 6.894 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.662 4.261 6.004 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.904 3.096 7.071 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.587 5.492 7.804 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.329 4.480 9.027 1.00 0.00 H new ATOM 0 HE ARG A 22 9.241 5.921 7.276 1.00 0.00 H new ATOM 0 HH11 ARG A 22 7.268 5.755 10.222 1.00 0.00 H new ATOM 0 HH12 ARG A 22 8.265 6.900 11.126 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.548 7.422 8.479 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.120 7.842 10.141 1.00 0.00 H new ATOM 353 N GLU A 23 11.506 1.604 6.234 1.00 0.00 N ATOM 354 CA GLU A 23 12.771 1.523 5.567 1.00 0.00 C ATOM 355 C GLU A 23 12.895 0.142 4.949 1.00 0.00 C ATOM 356 O GLU A 23 13.298 -0.038 3.812 1.00 0.00 O ATOM 357 CB GLU A 23 13.848 1.744 6.623 1.00 0.00 C ATOM 358 CG GLU A 23 14.377 0.449 7.231 1.00 0.00 C ATOM 359 CD GLU A 23 15.592 0.746 8.112 1.00 0.00 C ATOM 360 OE1 GLU A 23 15.436 1.450 9.109 1.00 0.00 O ATOM 361 OE2 GLU A 23 16.680 0.271 7.790 1.00 0.00 O ATOM 0 H GLU A 23 11.540 1.483 7.246 1.00 0.00 H new ATOM 0 HA GLU A 23 12.871 2.268 4.777 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.677 2.292 6.176 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.444 2.371 7.418 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.597 -0.031 7.822 1.00 0.00 H new ATOM 0 HG3 GLU A 23 14.652 -0.249 6.440 1.00 0.00 H new ATOM 368 N GLU A 24 12.514 -0.809 5.806 1.00 0.00 N ATOM 369 CA GLU A 24 12.561 -2.194 5.384 1.00 0.00 C ATOM 370 C GLU A 24 11.828 -2.366 4.047 1.00 0.00 C ATOM 371 O GLU A 24 12.244 -3.123 3.179 1.00 0.00 O ATOM 372 CB GLU A 24 11.923 -3.058 6.462 1.00 0.00 C ATOM 373 CG GLU A 24 12.586 -2.834 7.821 1.00 0.00 C ATOM 374 CD GLU A 24 13.955 -3.516 7.847 1.00 0.00 C ATOM 375 OE1 GLU A 24 14.096 -4.572 7.231 1.00 0.00 O ATOM 376 OE2 GLU A 24 14.864 -2.983 8.481 1.00 0.00 O ATOM 0 H GLU A 24 12.183 -0.648 6.757 1.00 0.00 H new ATOM 0 HA GLU A 24 13.597 -2.502 5.241 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.860 -2.829 6.532 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.005 -4.109 6.184 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.698 -1.766 8.010 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.955 -3.234 8.614 1.00 0.00 H new ATOM 383 N SER A 25 10.721 -1.607 3.943 1.00 0.00 N ATOM 384 CA SER A 25 9.924 -1.688 2.723 1.00 0.00 C ATOM 385 C SER A 25 10.513 -0.811 1.606 1.00 0.00 C ATOM 386 O SER A 25 10.281 -1.040 0.426 1.00 0.00 O ATOM 387 CB SER A 25 8.499 -1.239 3.037 1.00 0.00 C ATOM 388 OG SER A 25 8.387 0.159 2.940 1.00 0.00 O ATOM 0 H SER A 25 10.377 -0.963 4.655 1.00 0.00 H new ATOM 0 HA SER A 25 9.929 -2.719 2.370 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.802 -1.714 2.346 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.223 -1.562 4.041 1.00 0.00 H new ATOM 0 HG SER A 25 9.116 0.581 3.441 1.00 0.00 H new ATOM 394 N GLU A 26 11.288 0.195 2.050 1.00 0.00 N ATOM 395 CA GLU A 26 11.871 1.105 1.099 1.00 0.00 C ATOM 396 C GLU A 26 13.211 0.570 0.570 1.00 0.00 C ATOM 397 O GLU A 26 13.692 0.978 -0.481 1.00 0.00 O ATOM 398 CB GLU A 26 12.036 2.440 1.815 1.00 0.00 C ATOM 399 CG GLU A 26 13.353 3.115 1.468 1.00 0.00 C ATOM 400 CD GLU A 26 13.532 4.385 2.304 1.00 0.00 C ATOM 401 OE1 GLU A 26 12.705 4.633 3.179 1.00 0.00 O ATOM 402 OE2 GLU A 26 14.497 5.111 2.069 1.00 0.00 O ATOM 0 H GLU A 26 11.509 0.380 3.029 1.00 0.00 H new ATOM 0 HA GLU A 26 11.231 1.221 0.224 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.210 3.099 1.548 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.982 2.282 2.892 1.00 0.00 H new ATOM 0 HG2 GLU A 26 14.181 2.430 1.652 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.374 3.363 0.407 1.00 0.00 H new ATOM 409 N GLN A 27 13.774 -0.362 1.356 1.00 0.00 N ATOM 410 CA GLN A 27 15.031 -0.949 0.934 1.00 0.00 C ATOM 411 C GLN A 27 14.697 -2.057 -0.055 1.00 0.00 C ATOM 412 O GLN A 27 15.427 -2.348 -0.991 1.00 0.00 O ATOM 413 CB GLN A 27 15.792 -1.499 2.138 1.00 0.00 C ATOM 414 CG GLN A 27 14.954 -2.511 2.916 1.00 0.00 C ATOM 415 CD GLN A 27 15.801 -3.146 4.021 1.00 0.00 C ATOM 416 OE1 GLN A 27 16.730 -2.548 4.549 1.00 0.00 O ATOM 417 NE2 GLN A 27 15.411 -4.397 4.328 1.00 0.00 N ATOM 0 H GLN A 27 13.395 -0.704 2.239 1.00 0.00 H new ATOM 0 HA GLN A 27 15.673 -0.203 0.465 1.00 0.00 H new ATOM 0 HB2 GLN A 27 16.715 -1.972 1.801 1.00 0.00 H new ATOM 0 HB3 GLN A 27 16.076 -0.678 2.796 1.00 0.00 H new ATOM 0 HG2 GLN A 27 14.084 -2.019 3.350 1.00 0.00 H new ATOM 0 HG3 GLN A 27 14.581 -3.283 2.242 1.00 0.00 H new ATOM 0 HE21 GLN A 27 14.624 -4.821 3.837 1.00 0.00 H new ATOM 0 HE22 GLN A 27 15.903 -4.921 5.052 1.00 0.00 H new ATOM 426 N ILE A 28 13.524 -2.646 0.225 1.00 0.00 N ATOM 427 CA ILE A 28 13.045 -3.675 -0.629 1.00 0.00 C ATOM 428 C ILE A 28 12.696 -3.072 -1.977 1.00 0.00 C ATOM 429 O ILE A 28 12.923 -3.645 -3.035 1.00 0.00 O ATOM 430 CB ILE A 28 11.820 -4.239 0.048 1.00 0.00 C ATOM 431 CG1 ILE A 28 12.211 -5.261 1.097 1.00 0.00 C ATOM 432 CG2 ILE A 28 10.874 -4.848 -0.966 1.00 0.00 C ATOM 433 CD1 ILE A 28 11.074 -5.480 2.087 1.00 0.00 C ATOM 0 H ILE A 28 12.925 -2.417 1.018 1.00 0.00 H new ATOM 0 HA ILE A 28 13.783 -4.459 -0.798 1.00 0.00 H new ATOM 0 HB ILE A 28 11.301 -3.420 0.545 1.00 0.00 H new ATOM 0 HG12 ILE A 28 12.467 -6.205 0.615 1.00 0.00 H new ATOM 0 HG13 ILE A 28 13.101 -4.923 1.627 1.00 0.00 H new ATOM 0 HG21 ILE A 28 9.999 -5.248 -0.453 1.00 0.00 H new ATOM 0 HG22 ILE A 28 10.560 -4.083 -1.676 1.00 0.00 H new ATOM 0 HG23 ILE A 28 11.381 -5.652 -1.499 1.00 0.00 H new ATOM 0 HD11 ILE A 28 11.376 -6.217 2.831 1.00 0.00 H new ATOM 0 HD12 ILE A 28 10.838 -4.539 2.584 1.00 0.00 H new ATOM 0 HD13 ILE A 28 10.193 -5.841 1.556 1.00 0.00 H new ATOM 445 N VAL A 29 12.105 -1.886 -1.856 1.00 0.00 N ATOM 446 CA VAL A 29 11.760 -1.175 -3.057 1.00 0.00 C ATOM 447 C VAL A 29 13.032 -0.792 -3.796 1.00 0.00 C ATOM 448 O VAL A 29 13.048 -0.609 -5.004 1.00 0.00 O ATOM 449 CB VAL A 29 10.976 0.071 -2.649 1.00 0.00 C ATOM 450 CG1 VAL A 29 11.225 1.222 -3.618 1.00 0.00 C ATOM 451 CG2 VAL A 29 9.481 -0.226 -2.539 1.00 0.00 C ATOM 0 H VAL A 29 11.869 -1.424 -0.978 1.00 0.00 H new ATOM 0 HA VAL A 29 11.154 -1.792 -3.720 1.00 0.00 H new ATOM 0 HB VAL A 29 11.334 0.374 -1.665 1.00 0.00 H new ATOM 0 HG11 VAL A 29 10.654 2.094 -3.301 1.00 0.00 H new ATOM 0 HG12 VAL A 29 12.287 1.467 -3.626 1.00 0.00 H new ATOM 0 HG13 VAL A 29 10.913 0.928 -4.620 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.951 0.680 -2.247 1.00 0.00 H new ATOM 0 HG22 VAL A 29 9.107 -0.571 -3.503 1.00 0.00 H new ATOM 0 HG23 VAL A 29 9.318 -0.999 -1.788 1.00 0.00 H new ATOM 461 N LEU A 30 14.086 -0.672 -2.989 1.00 0.00 N ATOM 462 CA LEU A 30 15.346 -0.339 -3.550 1.00 0.00 C ATOM 463 C LEU A 30 15.746 -1.455 -4.514 1.00 0.00 C ATOM 464 O LEU A 30 16.341 -1.238 -5.562 1.00 0.00 O ATOM 465 CB LEU A 30 16.305 -0.232 -2.370 1.00 0.00 C ATOM 466 CG LEU A 30 17.320 -1.365 -2.322 1.00 0.00 C ATOM 467 CD1 LEU A 30 18.464 -1.113 -3.293 1.00 0.00 C ATOM 468 CD2 LEU A 30 17.853 -1.542 -0.915 1.00 0.00 C ATOM 0 H LEU A 30 14.072 -0.801 -1.977 1.00 0.00 H new ATOM 0 HA LEU A 30 15.343 0.595 -4.112 1.00 0.00 H new ATOM 0 HB2 LEU A 30 16.834 0.720 -2.424 1.00 0.00 H new ATOM 0 HB3 LEU A 30 15.732 -0.226 -1.443 1.00 0.00 H new ATOM 0 HG LEU A 30 16.815 -2.283 -2.622 1.00 0.00 H new ATOM 0 HD11 LEU A 30 19.175 -1.937 -3.239 1.00 0.00 H new ATOM 0 HD12 LEU A 30 18.071 -1.039 -4.307 1.00 0.00 H new ATOM 0 HD13 LEU A 30 18.967 -0.182 -3.030 1.00 0.00 H new ATOM 0 HD21 LEU A 30 18.577 -2.356 -0.900 1.00 0.00 H new ATOM 0 HD22 LEU A 30 18.336 -0.621 -0.590 1.00 0.00 H new ATOM 0 HD23 LEU A 30 17.029 -1.777 -0.241 1.00 0.00 H new ATOM 480 N ILE A 31 15.361 -2.667 -4.064 1.00 0.00 N ATOM 481 CA ILE A 31 15.665 -3.829 -4.841 1.00 0.00 C ATOM 482 C ILE A 31 14.990 -3.718 -6.178 1.00 0.00 C ATOM 483 O ILE A 31 15.602 -3.597 -7.233 1.00 0.00 O ATOM 484 CB ILE A 31 15.118 -5.088 -4.170 1.00 0.00 C ATOM 485 CG1 ILE A 31 14.987 -4.967 -2.663 1.00 0.00 C ATOM 486 CG2 ILE A 31 15.973 -6.260 -4.534 1.00 0.00 C ATOM 487 CD1 ILE A 31 16.143 -5.643 -1.923 1.00 0.00 C ATOM 0 H ILE A 31 14.857 -2.839 -3.194 1.00 0.00 H new ATOM 0 HA ILE A 31 16.749 -3.895 -4.939 1.00 0.00 H new ATOM 0 HB ILE A 31 14.104 -5.232 -4.543 1.00 0.00 H new ATOM 0 HG12 ILE A 31 14.949 -3.913 -2.387 1.00 0.00 H new ATOM 0 HG13 ILE A 31 14.045 -5.414 -2.346 1.00 0.00 H new ATOM 0 HG21 ILE A 31 15.583 -7.158 -4.055 1.00 0.00 H new ATOM 0 HG22 ILE A 31 15.966 -6.393 -5.616 1.00 0.00 H new ATOM 0 HG23 ILE A 31 16.994 -6.084 -4.197 1.00 0.00 H new ATOM 0 HD11 ILE A 31 16.003 -5.529 -0.848 1.00 0.00 H new ATOM 0 HD12 ILE A 31 16.166 -6.703 -2.175 1.00 0.00 H new ATOM 0 HD13 ILE A 31 17.084 -5.179 -2.218 1.00 0.00 H new ATOM 499 N GLY A 32 13.667 -3.777 -6.031 1.00 0.00 N ATOM 500 CA GLY A 32 12.846 -3.757 -7.213 1.00 0.00 C ATOM 501 C GLY A 32 12.323 -2.361 -7.544 1.00 0.00 C ATOM 502 O GLY A 32 12.879 -1.345 -7.155 1.00 0.00 O ATOM 0 H GLY A 32 13.170 -3.836 -5.142 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.423 -4.134 -8.057 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.002 -4.433 -7.076 1.00 0.00 H new ATOM 506 N SER A 33 11.224 -2.400 -8.314 1.00 0.00 N ATOM 507 CA SER A 33 10.605 -1.154 -8.719 1.00 0.00 C ATOM 508 C SER A 33 11.499 -0.439 -9.728 1.00 0.00 C ATOM 509 O SER A 33 12.063 -1.059 -10.619 1.00 0.00 O ATOM 510 CB SER A 33 10.338 -0.290 -7.489 1.00 0.00 C ATOM 511 OG SER A 33 9.432 0.736 -7.799 1.00 0.00 O ATOM 0 H SER A 33 10.770 -3.249 -8.651 1.00 0.00 H new ATOM 0 HA SER A 33 9.649 -1.353 -9.203 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.938 -0.906 -6.684 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.273 0.139 -7.128 1.00 0.00 H new ATOM 0 HG SER A 33 9.210 0.699 -8.753 1.00 0.00 H new ATOM 517 N LYS A 34 11.576 0.900 -9.535 1.00 0.00 N ATOM 518 CA LYS A 34 12.393 1.696 -10.441 1.00 0.00 C ATOM 519 C LYS A 34 11.560 2.107 -11.636 1.00 0.00 C ATOM 520 O LYS A 34 11.382 3.275 -11.959 1.00 0.00 O ATOM 521 CB LYS A 34 13.564 0.860 -10.936 1.00 0.00 C ATOM 522 CG LYS A 34 14.728 1.739 -11.363 1.00 0.00 C ATOM 523 CD LYS A 34 16.019 0.936 -11.535 1.00 0.00 C ATOM 524 CE LYS A 34 16.583 0.475 -10.190 1.00 0.00 C ATOM 525 NZ LYS A 34 15.987 -0.775 -9.735 1.00 0.00 N ATOM 0 H LYS A 34 11.103 1.418 -8.795 1.00 0.00 H new ATOM 0 HA LYS A 34 12.758 2.577 -9.914 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.888 0.181 -10.147 1.00 0.00 H new ATOM 0 HB3 LYS A 34 13.244 0.243 -11.776 1.00 0.00 H new ATOM 0 HG2 LYS A 34 14.482 2.236 -12.302 1.00 0.00 H new ATOM 0 HG3 LYS A 34 14.884 2.521 -10.620 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.826 0.068 -12.165 1.00 0.00 H new ATOM 0 HD3 LYS A 34 16.761 1.546 -12.051 1.00 0.00 H new ATOM 0 HE2 LYS A 34 17.662 0.349 -10.276 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.411 1.249 -9.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.378 -0.590 -8.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.418 -1.188 -10.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.739 -1.440 -9.465 1.00 0.00 H new ATOM 539 N THR A 35 11.075 1.033 -12.258 1.00 0.00 N ATOM 540 CA THR A 35 10.263 1.196 -13.456 1.00 0.00 C ATOM 541 C THR A 35 9.390 2.426 -13.334 1.00 0.00 C ATOM 542 O THR A 35 9.347 3.291 -14.199 1.00 0.00 O ATOM 543 CB THR A 35 9.411 -0.054 -13.657 1.00 0.00 C ATOM 544 OG1 THR A 35 8.637 0.088 -14.823 1.00 0.00 O ATOM 545 CG2 THR A 35 8.497 -0.317 -12.462 1.00 0.00 C ATOM 0 H THR A 35 11.226 0.069 -11.961 1.00 0.00 H new ATOM 0 HA THR A 35 10.911 1.329 -14.322 1.00 0.00 H new ATOM 0 HB THR A 35 10.084 -0.906 -13.754 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.091 -0.715 -14.953 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.908 -1.215 -12.645 1.00 0.00 H new ATOM 0 HG22 THR A 35 9.101 -0.456 -11.565 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.829 0.533 -12.321 1.00 0.00 H new ATOM 553 N ASN A 36 8.727 2.399 -12.186 1.00 0.00 N ATOM 554 CA ASN A 36 7.806 3.462 -11.806 1.00 0.00 C ATOM 555 C ASN A 36 6.394 2.896 -11.764 1.00 0.00 C ATOM 556 O ASN A 36 5.673 2.866 -12.754 1.00 0.00 O ATOM 557 CB ASN A 36 7.889 4.619 -12.790 1.00 0.00 C ATOM 558 CG ASN A 36 7.019 5.794 -12.326 1.00 0.00 C ATOM 559 OD1 ASN A 36 6.565 6.609 -13.119 1.00 0.00 O ATOM 560 ND2 ASN A 36 6.821 5.821 -10.996 1.00 0.00 N ATOM 0 H ASN A 36 8.810 1.650 -11.499 1.00 0.00 H new ATOM 0 HA ASN A 36 8.076 3.843 -10.821 1.00 0.00 H new ATOM 0 HB2 ASN A 36 8.925 4.944 -12.889 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.564 4.287 -13.776 1.00 0.00 H new ATOM 0 HD21 ASN A 36 6.256 6.561 -10.579 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.236 5.102 -10.404 1.00 0.00 H new ATOM 567 N GLY A 37 6.057 2.452 -10.545 1.00 0.00 N ATOM 568 CA GLY A 37 4.739 1.878 -10.353 1.00 0.00 C ATOM 569 C GLY A 37 4.748 0.729 -9.337 1.00 0.00 C ATOM 570 O GLY A 37 3.705 0.182 -8.997 1.00 0.00 O ATOM 0 H GLY A 37 6.654 2.480 -9.719 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.053 2.654 -10.015 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.361 1.513 -11.308 1.00 0.00 H new ATOM 574 N LYS A 38 5.971 0.386 -8.870 1.00 0.00 N ATOM 575 CA LYS A 38 6.023 -0.693 -7.906 1.00 0.00 C ATOM 576 C LYS A 38 5.508 -0.158 -6.583 1.00 0.00 C ATOM 577 O LYS A 38 5.688 1.004 -6.248 1.00 0.00 O ATOM 578 CB LYS A 38 7.442 -1.211 -7.774 1.00 0.00 C ATOM 579 CG LYS A 38 7.466 -2.711 -7.469 1.00 0.00 C ATOM 580 CD LYS A 38 7.963 -3.531 -8.660 1.00 0.00 C ATOM 581 CE LYS A 38 9.007 -4.559 -8.230 1.00 0.00 C ATOM 582 NZ LYS A 38 9.697 -5.160 -9.365 1.00 0.00 N ATOM 0 H LYS A 38 6.860 0.812 -9.130 1.00 0.00 H new ATOM 0 HA LYS A 38 5.403 -1.529 -8.230 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.988 -1.018 -8.697 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.956 -0.669 -6.980 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.109 -2.895 -6.608 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.464 -3.041 -7.195 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.121 -4.039 -9.131 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.392 -2.865 -9.409 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.737 -4.080 -7.577 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.523 -5.342 -7.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.524 -5.692 -9.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.051 -5.805 -9.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.009 -4.412 -10.017 1.00 0.00 H new ATOM 596 N PHE A 39 4.862 -1.072 -5.854 1.00 0.00 N ATOM 597 CA PHE A 39 4.296 -0.618 -4.586 1.00 0.00 C ATOM 598 C PHE A 39 4.055 -1.765 -3.600 1.00 0.00 C ATOM 599 O PHE A 39 3.702 -2.865 -3.964 1.00 0.00 O ATOM 600 CB PHE A 39 2.970 0.079 -4.887 1.00 0.00 C ATOM 601 CG PHE A 39 1.907 -0.909 -5.269 1.00 0.00 C ATOM 602 CD1 PHE A 39 1.784 -1.359 -6.606 1.00 0.00 C ATOM 603 CD2 PHE A 39 1.018 -1.401 -4.286 1.00 0.00 C ATOM 604 CE1 PHE A 39 0.781 -2.292 -6.955 1.00 0.00 C ATOM 605 CE2 PHE A 39 0.014 -2.332 -4.635 1.00 0.00 C ATOM 606 CZ PHE A 39 -0.104 -2.778 -5.969 1.00 0.00 C ATOM 0 H PHE A 39 4.725 -2.054 -6.094 1.00 0.00 H new ATOM 0 HA PHE A 39 5.010 0.057 -4.115 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.647 0.643 -4.012 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.110 0.797 -5.696 1.00 0.00 H new ATOM 0 HD1 PHE A 39 2.460 -0.988 -7.362 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.107 -1.064 -3.264 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.692 -2.633 -7.976 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -0.664 -2.703 -3.880 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.871 -3.491 -6.235 1.00 0.00 H new ATOM 616 N LEU A 40 4.201 -1.391 -2.318 1.00 0.00 N ATOM 617 CA LEU A 40 3.965 -2.376 -1.266 1.00 0.00 C ATOM 618 C LEU A 40 2.991 -1.772 -0.262 1.00 0.00 C ATOM 619 O LEU A 40 2.882 -0.560 -0.124 1.00 0.00 O ATOM 620 CB LEU A 40 5.267 -2.780 -0.565 1.00 0.00 C ATOM 621 CG LEU A 40 6.073 -1.575 -0.086 1.00 0.00 C ATOM 622 CD1 LEU A 40 5.544 -1.082 1.260 1.00 0.00 C ATOM 623 CD2 LEU A 40 7.552 -1.952 0.034 1.00 0.00 C ATOM 0 H LEU A 40 4.468 -0.459 -2.001 1.00 0.00 H new ATOM 0 HA LEU A 40 3.549 -3.280 -1.709 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.034 -3.419 0.287 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.876 -3.371 -1.249 1.00 0.00 H new ATOM 0 HG LEU A 40 5.969 -0.771 -0.814 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.129 -0.223 1.588 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.499 -0.791 1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.627 -1.880 1.998 1.00 0.00 H new ATOM 0 HD21 LEU A 40 8.121 -1.088 0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.663 -2.766 0.750 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.926 -2.271 -0.939 1.00 0.00 H new ATOM 635 N ILE A 41 2.288 -2.689 0.425 1.00 0.00 N ATOM 636 CA ILE A 41 1.328 -2.204 1.403 1.00 0.00 C ATOM 637 C ILE A 41 1.547 -2.922 2.732 1.00 0.00 C ATOM 638 O ILE A 41 1.932 -4.084 2.788 1.00 0.00 O ATOM 639 CB ILE A 41 -0.086 -2.444 0.887 1.00 0.00 C ATOM 640 CG1 ILE A 41 -1.115 -1.899 1.879 1.00 0.00 C ATOM 641 CG2 ILE A 41 -0.313 -3.931 0.649 1.00 0.00 C ATOM 642 CD1 ILE A 41 -0.950 -0.395 2.091 1.00 0.00 C ATOM 0 H ILE A 41 2.363 -3.701 0.326 1.00 0.00 H new ATOM 0 HA ILE A 41 1.466 -1.134 1.559 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.207 -1.917 -0.059 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.120 -2.107 1.513 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.010 -2.415 2.833 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.326 -4.090 0.281 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.402 -4.295 -0.088 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.178 -4.474 1.584 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.698 -0.044 2.802 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.047 -0.190 2.482 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.081 0.123 1.141 1.00 0.00 H new ATOM 654 N ARG A 42 1.275 -2.144 3.791 1.00 0.00 N ATOM 655 CA ARG A 42 1.442 -2.694 5.125 1.00 0.00 C ATOM 656 C ARG A 42 0.327 -2.175 6.028 1.00 0.00 C ATOM 657 O ARG A 42 -0.218 -1.096 5.827 1.00 0.00 O ATOM 658 CB ARG A 42 2.809 -2.293 5.674 1.00 0.00 C ATOM 659 CG ARG A 42 3.042 -0.786 5.554 1.00 0.00 C ATOM 660 CD ARG A 42 4.353 -0.365 6.218 1.00 0.00 C ATOM 661 NE ARG A 42 4.228 -0.424 7.663 1.00 0.00 N ATOM 662 CZ ARG A 42 3.714 0.638 8.312 1.00 0.00 C ATOM 663 NH1 ARG A 42 3.332 1.715 7.631 1.00 0.00 N ATOM 664 NH2 ARG A 42 3.587 0.610 9.635 1.00 0.00 N ATOM 0 H ARG A 42 0.953 -1.177 3.747 1.00 0.00 H new ATOM 0 HA ARG A 42 1.387 -3.782 5.088 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.884 -2.592 6.720 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.590 -2.827 5.133 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.059 -0.502 4.502 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.212 -0.251 6.015 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.161 -1.018 5.889 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.616 0.647 5.910 1.00 0.00 H new ATOM 0 HE ARG A 42 4.524 -1.254 8.177 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.428 1.737 6.616 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.943 2.519 8.124 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.879 -0.216 10.158 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.198 1.414 10.127 1.00 0.00 H new ATOM 678 N ALA A 43 0.025 -3.017 7.032 1.00 0.00 N ATOM 679 CA ALA A 43 -1.025 -2.638 7.959 1.00 0.00 C ATOM 680 C ALA A 43 -0.880 -3.433 9.255 1.00 0.00 C ATOM 681 O ALA A 43 -0.251 -4.483 9.305 1.00 0.00 O ATOM 682 CB ALA A 43 -2.384 -2.905 7.318 1.00 0.00 C ATOM 0 H ALA A 43 0.473 -3.916 7.208 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.945 -1.576 8.192 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.175 -2.621 8.012 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.476 -2.319 6.403 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.472 -3.965 7.081 1.00 0.00 H new ATOM 688 N ARG A 44 -1.504 -2.853 10.297 1.00 0.00 N ATOM 689 CA ARG A 44 -1.448 -3.506 11.592 1.00 0.00 C ATOM 690 C ARG A 44 -2.864 -3.871 12.037 1.00 0.00 C ATOM 691 O ARG A 44 -3.794 -3.940 11.243 1.00 0.00 O ATOM 692 CB ARG A 44 -0.792 -2.573 12.607 1.00 0.00 C ATOM 693 CG ARG A 44 0.672 -2.306 12.261 1.00 0.00 C ATOM 694 CD ARG A 44 1.605 -2.762 13.382 1.00 0.00 C ATOM 695 NE ARG A 44 1.385 -4.166 13.679 1.00 0.00 N ATOM 696 CZ ARG A 44 2.028 -4.714 14.726 1.00 0.00 C ATOM 697 NH1 ARG A 44 2.851 -3.975 15.466 1.00 0.00 N ATOM 698 NH2 ARG A 44 1.842 -5.997 15.022 1.00 0.00 N ATOM 0 H ARG A 44 -2.025 -1.977 10.263 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.855 -4.418 11.521 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.337 -1.629 12.640 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.857 -3.013 13.602 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.929 -2.826 11.338 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.815 -1.241 12.078 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.643 -2.603 13.088 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.432 -2.162 14.276 1.00 0.00 H new ATOM 0 HE ARG A 44 0.755 -4.726 13.105 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.995 -2.991 15.240 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.337 -4.393 16.259 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.212 -6.565 14.455 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.329 -6.413 15.816 1.00 0.00 H new ATOM 712 N ASP A 45 -2.957 -4.097 13.359 1.00 0.00 N ATOM 713 CA ASP A 45 -4.250 -4.454 13.913 1.00 0.00 C ATOM 714 C ASP A 45 -4.141 -4.562 15.432 1.00 0.00 C ATOM 715 O ASP A 45 -4.235 -5.636 16.013 1.00 0.00 O ATOM 716 CB ASP A 45 -4.704 -5.781 13.314 1.00 0.00 C ATOM 717 CG ASP A 45 -6.099 -6.136 13.834 1.00 0.00 C ATOM 718 OD1 ASP A 45 -6.197 -6.636 14.953 1.00 0.00 O ATOM 719 OD2 ASP A 45 -7.069 -5.910 13.113 1.00 0.00 O ATOM 0 H ASP A 45 -2.187 -4.040 14.026 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.984 -3.686 13.669 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.718 -5.713 12.226 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.997 -6.569 13.575 1.00 0.00 H new ATOM 724 N ASN A 46 -3.939 -3.374 16.031 1.00 0.00 N ATOM 725 CA ASN A 46 -3.816 -3.339 17.478 1.00 0.00 C ATOM 726 C ASN A 46 -3.617 -1.896 17.940 1.00 0.00 C ATOM 727 O ASN A 46 -4.224 -1.434 18.899 1.00 0.00 O ATOM 728 CB ASN A 46 -2.637 -4.209 17.906 1.00 0.00 C ATOM 729 CG ASN A 46 -2.800 -4.625 19.368 1.00 0.00 C ATOM 730 OD1 ASN A 46 -3.290 -3.875 20.204 1.00 0.00 O ATOM 731 ND2 ASN A 46 -2.356 -5.871 19.611 1.00 0.00 N ATOM 0 H ASN A 46 -3.862 -2.475 15.555 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.725 -3.728 17.937 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -2.578 -5.093 17.272 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -1.704 -3.661 17.777 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -2.414 -6.259 20.553 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -1.961 -6.428 18.854 1.00 0.00 H new ATOM 738 N ASN A 47 -2.726 -1.220 17.191 1.00 0.00 N ATOM 739 CA ASN A 47 -2.444 0.165 17.524 1.00 0.00 C ATOM 740 C ASN A 47 -1.418 0.725 16.539 1.00 0.00 C ATOM 741 O ASN A 47 -0.215 0.544 16.685 1.00 0.00 O ATOM 742 CB ASN A 47 -1.915 0.246 18.954 1.00 0.00 C ATOM 743 CG ASN A 47 -1.609 1.702 19.312 1.00 0.00 C ATOM 744 OD1 ASN A 47 -0.622 2.282 18.875 1.00 0.00 O ATOM 745 ND2 ASN A 47 -2.523 2.244 20.137 1.00 0.00 N ATOM 0 H ASN A 47 -2.217 -1.597 16.392 1.00 0.00 H new ATOM 0 HA ASN A 47 -3.356 0.757 17.454 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -2.651 -0.162 19.647 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -1.014 -0.359 19.053 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -2.422 3.211 20.446 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -3.317 1.688 20.454 1.00 0.00 H new ATOM 752 N GLY A 48 -1.980 1.417 15.531 1.00 0.00 N ATOM 753 CA GLY A 48 -1.115 2.002 14.525 1.00 0.00 C ATOM 754 C GLY A 48 -1.921 2.473 13.313 1.00 0.00 C ATOM 755 O GLY A 48 -3.084 2.844 13.414 1.00 0.00 O ATOM 0 H GLY A 48 -2.980 1.573 15.404 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.571 2.844 14.953 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.372 1.270 14.209 1.00 0.00 H new ATOM 759 N SER A 49 -1.222 2.426 12.165 1.00 0.00 N ATOM 760 CA SER A 49 -1.873 2.848 10.937 1.00 0.00 C ATOM 761 C SER A 49 -1.250 2.115 9.750 1.00 0.00 C ATOM 762 O SER A 49 -0.145 1.591 9.820 1.00 0.00 O ATOM 763 CB SER A 49 -1.719 4.358 10.774 1.00 0.00 C ATOM 764 OG SER A 49 -0.362 4.712 10.688 1.00 0.00 O ATOM 0 H SER A 49 -0.255 2.115 12.072 1.00 0.00 H new ATOM 0 HA SER A 49 -2.935 2.605 10.979 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.244 4.687 9.877 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.181 4.869 11.619 1.00 0.00 H new ATOM 0 HG SER A 49 -0.283 5.683 10.582 1.00 0.00 H new ATOM 770 N TYR A 50 -2.039 2.117 8.660 1.00 0.00 N ATOM 771 CA TYR A 50 -1.565 1.451 7.454 1.00 0.00 C ATOM 772 C TYR A 50 -0.858 2.488 6.582 1.00 0.00 C ATOM 773 O TYR A 50 -0.846 3.674 6.887 1.00 0.00 O ATOM 774 CB TYR A 50 -2.743 0.828 6.691 1.00 0.00 C ATOM 775 CG TYR A 50 -3.673 0.054 7.592 1.00 0.00 C ATOM 776 CD1 TYR A 50 -3.210 -0.494 8.815 1.00 0.00 C ATOM 777 CD2 TYR A 50 -5.030 -0.121 7.227 1.00 0.00 C ATOM 778 CE1 TYR A 50 -4.094 -1.204 9.661 1.00 0.00 C ATOM 779 CE2 TYR A 50 -5.913 -0.831 8.073 1.00 0.00 C ATOM 780 CZ TYR A 50 -5.445 -1.372 9.289 1.00 0.00 C ATOM 781 OH TYR A 50 -6.308 -2.062 10.116 1.00 0.00 O ATOM 0 H TYR A 50 -2.960 2.551 8.596 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.874 0.650 7.717 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.303 1.616 6.188 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.359 0.165 5.916 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -2.177 -0.369 9.102 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.393 0.290 6.297 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.735 -1.618 10.592 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.947 -0.959 7.788 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.200 -2.085 9.712 1.00 0.00 H new ATOM 791 N ALA A 51 -0.269 1.976 5.483 1.00 0.00 N ATOM 792 CA ALA A 51 0.416 2.905 4.600 1.00 0.00 C ATOM 793 C ALA A 51 0.912 2.204 3.333 1.00 0.00 C ATOM 794 O ALA A 51 1.513 1.136 3.362 1.00 0.00 O ATOM 795 CB ALA A 51 1.584 3.548 5.345 1.00 0.00 C ATOM 0 H ALA A 51 -0.257 0.994 5.208 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.289 3.678 4.294 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.098 4.245 4.683 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.209 4.085 6.216 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.280 2.774 5.668 1.00 0.00 H new ATOM 801 N LEU A 52 0.602 2.905 2.227 1.00 0.00 N ATOM 802 CA LEU A 52 1.009 2.425 0.919 1.00 0.00 C ATOM 803 C LEU A 52 2.354 3.060 0.568 1.00 0.00 C ATOM 804 O LEU A 52 2.521 4.271 0.601 1.00 0.00 O ATOM 805 CB LEU A 52 -0.066 2.818 -0.102 1.00 0.00 C ATOM 806 CG LEU A 52 0.515 3.217 -1.464 1.00 0.00 C ATOM 807 CD1 LEU A 52 1.101 1.995 -2.175 1.00 0.00 C ATOM 808 CD2 LEU A 52 -0.577 3.847 -2.328 1.00 0.00 C ATOM 0 H LEU A 52 0.083 3.783 2.223 1.00 0.00 H new ATOM 0 HA LEU A 52 1.118 1.341 0.913 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.753 1.982 -0.237 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.649 3.649 0.295 1.00 0.00 H new ATOM 0 HG LEU A 52 1.313 3.943 -1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.509 2.296 -3.140 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.894 1.564 -1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.318 1.253 -2.328 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.159 4.129 -3.294 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.383 3.129 -2.477 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.969 4.734 -1.830 1.00 0.00 H new ATOM 820 N CYS A 53 3.292 2.171 0.215 1.00 0.00 N ATOM 821 CA CYS A 53 4.612 2.672 -0.119 1.00 0.00 C ATOM 822 C CYS A 53 5.024 2.184 -1.501 1.00 0.00 C ATOM 823 O CYS A 53 5.181 0.998 -1.748 1.00 0.00 O ATOM 824 CB CYS A 53 5.613 2.206 0.933 1.00 0.00 C ATOM 825 SG CYS A 53 4.958 2.300 2.618 1.00 0.00 S ATOM 0 H CYS A 53 3.166 1.160 0.157 1.00 0.00 H new ATOM 0 HA CYS A 53 4.593 3.762 -0.133 1.00 0.00 H new ATOM 0 HB2 CYS A 53 5.905 1.178 0.719 1.00 0.00 H new ATOM 0 HB3 CYS A 53 6.515 2.815 0.864 1.00 0.00 H new ATOM 0 HG CYS A 53 5.726 1.624 3.420 1.00 0.00 H new ATOM 831 N LEU A 54 5.205 3.185 -2.377 1.00 0.00 N ATOM 832 CA LEU A 54 5.602 2.850 -3.734 1.00 0.00 C ATOM 833 C LEU A 54 6.775 3.731 -4.145 1.00 0.00 C ATOM 834 O LEU A 54 7.126 4.685 -3.466 1.00 0.00 O ATOM 835 CB LEU A 54 4.412 2.999 -4.684 1.00 0.00 C ATOM 836 CG LEU A 54 3.711 4.360 -4.588 1.00 0.00 C ATOM 837 CD1 LEU A 54 3.025 4.525 -3.234 1.00 0.00 C ATOM 838 CD2 LEU A 54 4.694 5.504 -4.830 1.00 0.00 C ATOM 0 H LEU A 54 5.088 4.178 -2.178 1.00 0.00 H new ATOM 0 HA LEU A 54 5.925 1.810 -3.784 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.755 2.849 -5.708 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.688 2.212 -4.471 1.00 0.00 H new ATOM 0 HG LEU A 54 2.949 4.395 -5.367 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.535 5.498 -3.190 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.282 3.738 -3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.768 4.457 -2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.169 6.456 -4.756 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.486 5.467 -4.082 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.129 5.406 -5.825 1.00 0.00 H new ATOM 850 N LEU A 55 7.375 3.343 -5.286 1.00 0.00 N ATOM 851 CA LEU A 55 8.519 4.118 -5.731 1.00 0.00 C ATOM 852 C LEU A 55 8.248 4.739 -7.097 1.00 0.00 C ATOM 853 O LEU A 55 7.689 4.120 -7.994 1.00 0.00 O ATOM 854 CB LEU A 55 9.736 3.208 -5.785 1.00 0.00 C ATOM 855 CG LEU A 55 11.001 3.978 -6.163 1.00 0.00 C ATOM 856 CD1 LEU A 55 11.841 4.326 -4.942 1.00 0.00 C ATOM 857 CD2 LEU A 55 11.847 3.162 -7.130 1.00 0.00 C ATOM 0 H LEU A 55 7.103 2.554 -5.872 1.00 0.00 H new ATOM 0 HA LEU A 55 8.705 4.932 -5.030 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.877 2.730 -4.815 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.564 2.413 -6.510 1.00 0.00 H new ATOM 0 HG LEU A 55 10.681 4.906 -6.637 1.00 0.00 H new ATOM 0 HD11 LEU A 55 12.730 4.873 -5.256 1.00 0.00 H new ATOM 0 HD12 LEU A 55 11.256 4.945 -4.262 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.139 3.410 -4.432 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.745 3.723 -7.391 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.131 2.221 -6.660 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.272 2.958 -8.033 1.00 0.00 H new ATOM 869 N HIS A 56 8.686 6.010 -7.184 1.00 0.00 N ATOM 870 CA HIS A 56 8.504 6.722 -8.437 1.00 0.00 C ATOM 871 C HIS A 56 9.590 6.293 -9.434 1.00 0.00 C ATOM 872 O HIS A 56 9.478 5.278 -10.111 1.00 0.00 O ATOM 873 CB HIS A 56 8.560 8.228 -8.177 1.00 0.00 C ATOM 874 CG HIS A 56 8.363 8.971 -9.477 1.00 0.00 C ATOM 875 ND1 HIS A 56 7.549 8.550 -10.470 1.00 0.00 N ATOM 876 CD2 HIS A 56 8.956 10.181 -9.879 1.00 0.00 C ATOM 877 CE1 HIS A 56 7.638 9.468 -11.447 1.00 0.00 C ATOM 878 NE2 HIS A 56 8.480 10.463 -11.114 1.00 0.00 N ATOM 0 H HIS A 56 9.144 6.532 -6.437 1.00 0.00 H new ATOM 0 HA HIS A 56 7.531 6.481 -8.866 1.00 0.00 H new ATOM 0 HB2 HIS A 56 7.788 8.513 -7.462 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.519 8.496 -7.734 1.00 0.00 H new ATOM 0 HD2 HIS A 56 9.658 10.773 -9.310 1.00 0.00 H new ATOM 0 HE1 HIS A 56 7.101 9.414 -12.382 1.00 0.00 H new ATOM 0 HE2 HIS A 56 8.715 11.276 -11.684 1.00 0.00 H new ATOM 886 N GLU A 57 10.642 7.134 -9.476 1.00 0.00 N ATOM 887 CA GLU A 57 11.747 6.841 -10.389 1.00 0.00 C ATOM 888 C GLU A 57 13.076 6.690 -9.624 1.00 0.00 C ATOM 889 O GLU A 57 14.144 6.561 -10.211 1.00 0.00 O ATOM 890 CB GLU A 57 11.859 7.985 -11.384 1.00 0.00 C ATOM 891 CG GLU A 57 10.527 8.261 -12.083 1.00 0.00 C ATOM 892 CD GLU A 57 10.558 7.698 -13.506 1.00 0.00 C ATOM 893 OE1 GLU A 57 11.432 8.094 -14.275 1.00 0.00 O ATOM 894 OE2 GLU A 57 9.708 6.869 -13.828 1.00 0.00 O ATOM 0 H GLU A 57 10.744 7.980 -8.915 1.00 0.00 H new ATOM 0 HA GLU A 57 11.548 5.900 -10.902 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.192 8.885 -10.867 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.618 7.746 -12.129 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.711 7.807 -11.521 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.337 9.334 -12.111 1.00 0.00 H new ATOM 901 N GLY A 58 12.933 6.718 -8.289 1.00 0.00 N ATOM 902 CA GLY A 58 14.108 6.600 -7.440 1.00 0.00 C ATOM 903 C GLY A 58 13.934 7.388 -6.130 1.00 0.00 C ATOM 904 O GLY A 58 14.885 7.874 -5.530 1.00 0.00 O ATOM 0 H GLY A 58 12.045 6.818 -7.797 1.00 0.00 H new ATOM 0 HA2 GLY A 58 14.291 5.550 -7.213 1.00 0.00 H new ATOM 0 HA3 GLY A 58 14.984 6.968 -7.975 1.00 0.00 H new ATOM 908 N LYS A 59 12.649 7.470 -5.748 1.00 0.00 N ATOM 909 CA LYS A 59 12.286 8.152 -4.537 1.00 0.00 C ATOM 910 C LYS A 59 11.126 7.368 -3.961 1.00 0.00 C ATOM 911 O LYS A 59 9.981 7.491 -4.381 1.00 0.00 O ATOM 912 CB LYS A 59 11.864 9.584 -4.827 1.00 0.00 C ATOM 913 CG LYS A 59 12.981 10.392 -5.484 1.00 0.00 C ATOM 914 CD LYS A 59 12.490 11.096 -6.748 1.00 0.00 C ATOM 915 CE LYS A 59 13.241 12.405 -6.991 1.00 0.00 C ATOM 916 NZ LYS A 59 12.954 13.406 -5.969 1.00 0.00 N ATOM 0 H LYS A 59 11.866 7.071 -6.267 1.00 0.00 H new ATOM 0 HA LYS A 59 13.125 8.206 -3.844 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.990 9.579 -5.478 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.566 10.069 -3.897 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.361 11.131 -4.778 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.812 9.732 -5.733 1.00 0.00 H new ATOM 0 HD2 LYS A 59 12.620 10.437 -7.606 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.423 11.299 -6.661 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.313 12.208 -7.012 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.970 12.800 -7.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.128 14.356 -6.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.959 13.328 -5.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.570 13.249 -5.146 1.00 0.00 H new ATOM 930 N VAL A 60 11.506 6.545 -2.991 1.00 0.00 N ATOM 931 CA VAL A 60 10.503 5.705 -2.383 1.00 0.00 C ATOM 932 C VAL A 60 9.522 6.574 -1.620 1.00 0.00 C ATOM 933 O VAL A 60 9.867 7.596 -1.040 1.00 0.00 O ATOM 934 CB VAL A 60 11.161 4.713 -1.434 1.00 0.00 C ATOM 935 CG1 VAL A 60 11.384 5.367 -0.076 1.00 0.00 C ATOM 936 CG2 VAL A 60 10.291 3.469 -1.270 1.00 0.00 C ATOM 0 H VAL A 60 12.454 6.447 -2.628 1.00 0.00 H new ATOM 0 HA VAL A 60 9.974 5.151 -3.159 1.00 0.00 H new ATOM 0 HB VAL A 60 12.121 4.414 -1.855 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.855 4.652 0.599 1.00 0.00 H new ATOM 0 HG12 VAL A 60 12.031 6.237 -0.193 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.426 5.680 0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.778 2.772 -0.588 1.00 0.00 H new ATOM 0 HG22 VAL A 60 9.320 3.755 -0.865 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.153 2.991 -2.240 1.00 0.00 H new ATOM 946 N LEU A 61 8.287 6.080 -1.649 1.00 0.00 N ATOM 947 CA LEU A 61 7.245 6.815 -0.966 1.00 0.00 C ATOM 948 C LEU A 61 6.420 5.934 -0.074 1.00 0.00 C ATOM 949 O LEU A 61 6.445 4.712 -0.123 1.00 0.00 O ATOM 950 CB LEU A 61 6.344 7.493 -1.982 1.00 0.00 C ATOM 951 CG LEU A 61 7.181 8.122 -3.076 1.00 0.00 C ATOM 952 CD1 LEU A 61 6.306 8.921 -4.026 1.00 0.00 C ATOM 953 CD2 LEU A 61 8.240 9.014 -2.445 1.00 0.00 C ATOM 0 H LEU A 61 7.999 5.219 -2.114 1.00 0.00 H new ATOM 0 HA LEU A 61 7.731 7.561 -0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.655 6.766 -2.412 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.738 8.255 -1.492 1.00 0.00 H new ATOM 0 HG LEU A 61 7.669 7.336 -3.653 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.926 9.365 -4.805 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.567 8.262 -4.482 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.796 9.710 -3.474 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.846 9.470 -3.228 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.756 9.796 -1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.878 8.416 -1.794 1.00 0.00 H new ATOM 965 N HIS A 62 5.678 6.691 0.734 1.00 0.00 N ATOM 966 CA HIS A 62 4.793 6.051 1.697 1.00 0.00 C ATOM 967 C HIS A 62 3.632 6.996 2.000 1.00 0.00 C ATOM 968 O HIS A 62 3.812 8.181 2.202 1.00 0.00 O ATOM 969 CB HIS A 62 5.548 5.726 3.002 1.00 0.00 C ATOM 970 CG HIS A 62 6.944 5.195 2.720 1.00 0.00 C ATOM 971 ND1 HIS A 62 7.303 3.896 2.831 1.00 0.00 N ATOM 972 CD2 HIS A 62 8.080 5.930 2.336 1.00 0.00 C ATOM 973 CE1 HIS A 62 8.613 3.837 2.528 1.00 0.00 C ATOM 974 NE2 HIS A 62 9.102 5.052 2.225 1.00 0.00 N ATOM 0 H HIS A 62 5.672 7.711 0.741 1.00 0.00 H new ATOM 0 HA HIS A 62 4.422 5.117 1.275 1.00 0.00 H new ATOM 0 HB2 HIS A 62 5.616 6.623 3.617 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.986 4.989 3.575 1.00 0.00 H new ATOM 0 HD1 HIS A 62 6.700 3.116 3.093 1.00 0.00 H new ATOM 0 HD2 HIS A 62 8.127 6.995 2.163 1.00 0.00 H new ATOM 0 HE1 HIS A 62 9.197 2.929 2.528 1.00 0.00 H new ATOM 982 N TYR A 63 2.433 6.399 2.002 1.00 0.00 N ATOM 983 CA TYR A 63 1.264 7.203 2.317 1.00 0.00 C ATOM 984 C TYR A 63 0.578 6.552 3.513 1.00 0.00 C ATOM 985 O TYR A 63 0.801 5.391 3.819 1.00 0.00 O ATOM 986 CB TYR A 63 0.316 7.292 1.119 1.00 0.00 C ATOM 987 CG TYR A 63 0.984 7.923 -0.076 1.00 0.00 C ATOM 988 CD1 TYR A 63 1.138 9.333 -0.158 1.00 0.00 C ATOM 989 CD2 TYR A 63 1.469 7.118 -1.139 1.00 0.00 C ATOM 990 CE1 TYR A 63 1.766 9.920 -1.274 1.00 0.00 C ATOM 991 CE2 TYR A 63 2.098 7.709 -2.254 1.00 0.00 C ATOM 992 CZ TYR A 63 2.247 9.110 -2.324 1.00 0.00 C ATOM 993 OH TYR A 63 2.861 9.687 -3.417 1.00 0.00 O ATOM 0 H TYR A 63 2.258 5.415 1.800 1.00 0.00 H new ATOM 0 HA TYR A 63 1.558 8.225 2.556 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -0.032 6.293 0.856 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.564 7.874 1.394 1.00 0.00 H new ATOM 0 HD1 TYR A 63 0.771 9.960 0.641 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.356 6.045 -1.094 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.879 10.993 -1.326 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.467 7.087 -3.057 1.00 0.00 H new ATOM 0 HH TYR A 63 3.651 10.186 -3.123 1.00 0.00 H new ATOM 1003 N ARG A 64 -0.255 7.366 4.171 1.00 0.00 N ATOM 1004 CA ARG A 64 -0.934 6.833 5.345 1.00 0.00 C ATOM 1005 C ARG A 64 -2.333 6.372 4.950 1.00 0.00 C ATOM 1006 O ARG A 64 -3.099 7.098 4.342 1.00 0.00 O ATOM 1007 CB ARG A 64 -1.020 7.884 6.454 1.00 0.00 C ATOM 1008 CG ARG A 64 -0.522 9.262 6.007 1.00 0.00 C ATOM 1009 CD ARG A 64 -0.600 10.282 7.144 1.00 0.00 C ATOM 1010 NE ARG A 64 -0.064 11.560 6.714 1.00 0.00 N ATOM 1011 CZ ARG A 64 -0.332 12.654 7.453 1.00 0.00 C ATOM 1012 NH1 ARG A 64 -1.081 12.553 8.547 1.00 0.00 N ATOM 1013 NH2 ARG A 64 0.153 13.838 7.088 1.00 0.00 N ATOM 0 H ARG A 64 -0.464 8.335 3.928 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.362 5.988 5.728 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.054 7.968 6.789 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.433 7.551 7.310 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.508 9.182 5.658 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.118 9.610 5.163 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -1.635 10.403 7.462 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.042 9.918 8.007 1.00 0.00 H new ATOM 0 HE ARG A 64 0.504 11.629 5.870 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.454 11.646 8.828 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.283 13.382 9.105 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.727 13.917 6.249 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.050 14.667 7.647 1.00 0.00 H new ATOM 1027 N ILE A 65 -2.624 5.129 5.365 1.00 0.00 N ATOM 1028 CA ILE A 65 -3.929 4.579 5.023 1.00 0.00 C ATOM 1029 C ILE A 65 -4.636 4.059 6.277 1.00 0.00 C ATOM 1030 O ILE A 65 -4.038 3.446 7.153 1.00 0.00 O ATOM 1031 CB ILE A 65 -3.745 3.461 3.998 1.00 0.00 C ATOM 1032 CG1 ILE A 65 -3.683 4.046 2.587 1.00 0.00 C ATOM 1033 CG2 ILE A 65 -4.878 2.438 4.095 1.00 0.00 C ATOM 1034 CD1 ILE A 65 -2.529 3.448 1.786 1.00 0.00 C ATOM 0 H ILE A 65 -2.009 4.522 5.906 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.554 5.361 4.591 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.806 2.951 4.214 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.624 3.855 2.071 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.565 5.128 2.645 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.724 1.653 3.355 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.888 1.999 5.093 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.831 2.932 3.906 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.514 3.886 0.788 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.587 3.662 2.290 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.662 2.369 1.707 1.00 0.00 H new ATOM 1046 N ASP A 66 -5.954 4.351 6.291 1.00 0.00 N ATOM 1047 CA ASP A 66 -6.759 3.912 7.416 1.00 0.00 C ATOM 1048 C ASP A 66 -8.154 3.538 6.924 1.00 0.00 C ATOM 1049 O ASP A 66 -8.294 2.822 5.955 1.00 0.00 O ATOM 1050 CB ASP A 66 -6.800 5.023 8.466 1.00 0.00 C ATOM 1051 CG ASP A 66 -7.352 4.480 9.786 1.00 0.00 C ATOM 1052 OD1 ASP A 66 -6.764 3.545 10.328 1.00 0.00 O ATOM 1053 OD2 ASP A 66 -8.364 4.998 10.256 1.00 0.00 O ATOM 0 H ASP A 66 -6.452 4.866 5.565 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.323 3.027 7.880 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.799 5.426 8.620 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.423 5.845 8.113 1.00 0.00 H new ATOM 1058 N LYS A 67 -9.140 4.001 7.722 1.00 0.00 N ATOM 1059 CA LYS A 67 -10.533 3.776 7.393 1.00 0.00 C ATOM 1060 C LYS A 67 -11.386 4.907 7.981 1.00 0.00 C ATOM 1061 O LYS A 67 -10.970 6.058 8.039 1.00 0.00 O ATOM 1062 CB LYS A 67 -10.940 2.409 7.918 1.00 0.00 C ATOM 1063 CG LYS A 67 -11.030 2.369 9.437 1.00 0.00 C ATOM 1064 CD LYS A 67 -11.174 0.940 9.950 1.00 0.00 C ATOM 1065 CE LYS A 67 -10.398 -0.068 9.100 1.00 0.00 C ATOM 1066 NZ LYS A 67 -8.979 0.255 9.005 1.00 0.00 N ATOM 0 H LYS A 67 -8.984 4.524 8.584 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.688 3.784 6.314 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.905 2.133 7.493 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.219 1.665 7.581 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.138 2.823 9.868 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.882 2.963 9.768 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.821 0.890 10.980 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -12.229 0.666 9.961 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.513 -1.064 9.528 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.828 -0.101 8.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.479 -0.518 8.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.859 1.136 8.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.586 0.377 9.960 1.00 0.00 H new ATOM 1080 N ASP A 68 -12.596 4.509 8.411 1.00 0.00 N ATOM 1081 CA ASP A 68 -13.494 5.516 8.971 1.00 0.00 C ATOM 1082 C ASP A 68 -14.424 4.898 10.023 1.00 0.00 C ATOM 1083 O ASP A 68 -15.574 5.291 10.174 1.00 0.00 O ATOM 1084 CB ASP A 68 -14.315 6.126 7.839 1.00 0.00 C ATOM 1085 CG ASP A 68 -14.734 7.550 8.209 1.00 0.00 C ATOM 1086 OD1 ASP A 68 -14.994 7.799 9.386 1.00 0.00 O ATOM 1087 OD2 ASP A 68 -14.795 8.395 7.317 1.00 0.00 O ATOM 0 H ASP A 68 -12.954 3.554 8.383 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.903 6.289 9.462 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -13.730 6.137 6.919 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.198 5.516 7.648 1.00 0.00 H new ATOM 1092 N LYS A 69 -13.851 3.906 10.731 1.00 0.00 N ATOM 1093 CA LYS A 69 -14.629 3.220 11.765 1.00 0.00 C ATOM 1094 C LYS A 69 -15.860 2.509 11.179 1.00 0.00 C ATOM 1095 O LYS A 69 -16.582 1.805 11.874 1.00 0.00 O ATOM 1096 CB LYS A 69 -15.046 4.222 12.837 1.00 0.00 C ATOM 1097 CG LYS A 69 -13.917 4.477 13.836 1.00 0.00 C ATOM 1098 CD LYS A 69 -12.616 4.857 13.130 1.00 0.00 C ATOM 1099 CE LYS A 69 -11.514 5.201 14.133 1.00 0.00 C ATOM 1100 NZ LYS A 69 -11.185 4.078 15.003 1.00 0.00 N ATOM 0 H LYS A 69 -12.893 3.576 10.611 1.00 0.00 H new ATOM 0 HA LYS A 69 -13.999 2.451 12.211 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -15.335 5.161 12.366 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -15.923 3.847 13.365 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -14.208 5.276 14.519 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.756 3.584 14.440 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.289 4.031 12.498 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.792 5.710 12.475 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.620 5.513 13.594 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.831 6.048 14.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.336 4.306 15.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.981 3.893 15.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.003 3.233 14.425 1.00 0.00 H new ATOM 1114 N THR A 70 -16.046 2.735 9.873 1.00 0.00 N ATOM 1115 CA THR A 70 -17.141 2.101 9.192 1.00 0.00 C ATOM 1116 C THR A 70 -16.667 0.750 8.654 1.00 0.00 C ATOM 1117 O THR A 70 -17.434 -0.187 8.467 1.00 0.00 O ATOM 1118 CB THR A 70 -17.534 3.006 8.038 1.00 0.00 C ATOM 1119 OG1 THR A 70 -18.536 3.899 8.455 1.00 0.00 O ATOM 1120 CG2 THR A 70 -18.009 2.214 6.833 1.00 0.00 C ATOM 0 H THR A 70 -15.461 3.338 9.294 1.00 0.00 H new ATOM 0 HA THR A 70 -17.989 1.940 9.857 1.00 0.00 H new ATOM 0 HB THR A 70 -16.648 3.563 7.734 1.00 0.00 H new ATOM 0 HG1 THR A 70 -18.786 4.482 7.708 1.00 0.00 H new ATOM 0 HG21 THR A 70 -18.280 2.900 6.031 1.00 0.00 H new ATOM 0 HG22 THR A 70 -17.210 1.555 6.493 1.00 0.00 H new ATOM 0 HG23 THR A 70 -18.878 1.617 7.109 1.00 0.00 H new ATOM 1128 N GLY A 71 -15.342 0.734 8.419 1.00 0.00 N ATOM 1129 CA GLY A 71 -14.742 -0.459 7.881 1.00 0.00 C ATOM 1130 C GLY A 71 -14.025 -0.192 6.549 1.00 0.00 C ATOM 1131 O GLY A 71 -13.167 -0.952 6.115 1.00 0.00 O ATOM 0 H GLY A 71 -14.703 1.511 8.591 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -14.031 -0.863 8.601 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -15.511 -1.217 7.733 1.00 0.00 H new ATOM 1135 N LYS A 72 -14.437 0.932 5.939 1.00 0.00 N ATOM 1136 CA LYS A 72 -13.834 1.294 4.669 1.00 0.00 C ATOM 1137 C LYS A 72 -12.537 2.034 4.954 1.00 0.00 C ATOM 1138 O LYS A 72 -12.501 2.993 5.713 1.00 0.00 O ATOM 1139 CB LYS A 72 -14.790 2.167 3.859 1.00 0.00 C ATOM 1140 CG LYS A 72 -16.180 1.536 3.760 1.00 0.00 C ATOM 1141 CD LYS A 72 -16.855 1.860 2.428 1.00 0.00 C ATOM 1142 CE LYS A 72 -18.261 1.264 2.355 1.00 0.00 C ATOM 1143 NZ LYS A 72 -18.863 1.420 1.036 1.00 0.00 N ATOM 0 H LYS A 72 -15.150 1.571 6.291 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.626 0.400 4.081 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.868 3.150 4.323 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.386 2.318 2.858 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.098 0.455 3.873 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.802 1.895 4.580 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.909 2.941 2.300 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -16.251 1.472 1.608 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -18.217 0.205 2.608 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -18.895 1.744 3.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -19.815 1.001 1.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -18.931 2.431 0.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -18.274 0.940 0.326 1.00 0.00 H new ATOM 1157 N LEU A 73 -11.488 1.560 4.265 1.00 0.00 N ATOM 1158 CA LEU A 73 -10.199 2.167 4.495 1.00 0.00 C ATOM 1159 C LEU A 73 -10.151 3.499 3.759 1.00 0.00 C ATOM 1160 O LEU A 73 -11.019 3.819 2.960 1.00 0.00 O ATOM 1161 CB LEU A 73 -9.104 1.243 3.975 1.00 0.00 C ATOM 1162 CG LEU A 73 -9.112 -0.114 4.676 1.00 0.00 C ATOM 1163 CD1 LEU A 73 -8.435 -1.159 3.794 1.00 0.00 C ATOM 1164 CD2 LEU A 73 -8.399 -0.026 6.026 1.00 0.00 C ATOM 0 H LEU A 73 -11.513 0.801 3.584 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.044 2.332 5.561 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.234 1.097 2.903 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.133 1.717 4.117 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.147 -0.409 4.850 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.445 -2.124 4.301 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.972 -1.240 2.849 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.404 -0.860 3.602 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -8.415 -1.002 6.510 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.366 0.286 5.872 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -8.907 0.701 6.659 1.00 0.00 H new ATOM 1176 N SER A 74 -9.095 4.266 4.075 1.00 0.00 N ATOM 1177 CA SER A 74 -8.995 5.541 3.404 1.00 0.00 C ATOM 1178 C SER A 74 -7.552 6.018 3.380 1.00 0.00 C ATOM 1179 O SER A 74 -6.639 5.388 3.898 1.00 0.00 O ATOM 1180 CB SER A 74 -9.879 6.559 4.120 1.00 0.00 C ATOM 1181 OG SER A 74 -9.858 7.793 3.448 1.00 0.00 O ATOM 0 H SER A 74 -8.357 4.038 4.741 1.00 0.00 H new ATOM 0 HA SER A 74 -9.333 5.431 2.374 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.902 6.186 4.174 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.533 6.691 5.145 1.00 0.00 H new ATOM 0 HG SER A 74 -10.431 8.432 3.920 1.00 0.00 H new ATOM 1187 N ILE A 75 -7.432 7.179 2.730 1.00 0.00 N ATOM 1188 CA ILE A 75 -6.133 7.795 2.606 1.00 0.00 C ATOM 1189 C ILE A 75 -6.371 9.308 2.464 1.00 0.00 C ATOM 1190 O ILE A 75 -7.111 9.763 1.600 1.00 0.00 O ATOM 1191 CB ILE A 75 -5.420 7.195 1.390 1.00 0.00 C ATOM 1192 CG1 ILE A 75 -3.942 7.569 1.361 1.00 0.00 C ATOM 1193 CG2 ILE A 75 -6.081 7.654 0.105 1.00 0.00 C ATOM 1194 CD1 ILE A 75 -3.169 6.653 0.411 1.00 0.00 C ATOM 0 H ILE A 75 -8.202 7.690 2.297 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.495 7.616 3.472 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.498 6.111 1.474 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.831 8.606 1.044 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.524 7.496 2.365 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -5.561 7.218 -0.748 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -7.123 7.334 0.097 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.035 8.741 0.040 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.117 6.938 0.406 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.263 5.620 0.745 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.575 6.747 -0.596 1.00 0.00 H new ATOM 1206 N PRO A 76 -5.727 10.067 3.380 1.00 0.00 N ATOM 1207 CA PRO A 76 -5.866 11.511 3.427 1.00 0.00 C ATOM 1208 C PRO A 76 -5.601 12.171 2.068 1.00 0.00 C ATOM 1209 O PRO A 76 -6.514 12.521 1.331 1.00 0.00 O ATOM 1210 CB PRO A 76 -4.867 11.991 4.491 1.00 0.00 C ATOM 1211 CG PRO A 76 -4.205 10.737 5.084 1.00 0.00 C ATOM 1212 CD PRO A 76 -4.798 9.529 4.355 1.00 0.00 C ATOM 0 HA PRO A 76 -6.889 11.792 3.678 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.119 12.649 4.049 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.375 12.562 5.268 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.124 10.774 4.953 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.394 10.671 6.155 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.017 8.945 3.869 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.306 8.863 5.052 1.00 0.00 H new ATOM 1220 N GLU A 77 -4.298 12.313 1.796 1.00 0.00 N ATOM 1221 CA GLU A 77 -3.906 12.946 0.546 1.00 0.00 C ATOM 1222 C GLU A 77 -4.499 12.200 -0.656 1.00 0.00 C ATOM 1223 O GLU A 77 -4.871 12.798 -1.659 1.00 0.00 O ATOM 1224 CB GLU A 77 -2.381 12.986 0.456 1.00 0.00 C ATOM 1225 CG GLU A 77 -1.731 11.787 1.156 1.00 0.00 C ATOM 1226 CD GLU A 77 -1.665 12.037 2.665 1.00 0.00 C ATOM 1227 OE1 GLU A 77 -1.956 13.154 3.088 1.00 0.00 O ATOM 1228 OE2 GLU A 77 -1.323 11.111 3.398 1.00 0.00 O ATOM 0 H GLU A 77 -3.532 12.011 2.399 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.295 13.964 0.527 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.080 13.001 -0.592 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.016 13.909 0.905 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.304 10.882 0.953 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.728 11.624 0.761 1.00 0.00 H new ATOM 1235 N GLY A 78 -4.565 10.866 -0.493 1.00 0.00 N ATOM 1236 CA GLY A 78 -5.102 10.062 -1.580 1.00 0.00 C ATOM 1237 C GLY A 78 -6.628 10.208 -1.698 1.00 0.00 C ATOM 1238 O GLY A 78 -7.187 11.295 -1.606 1.00 0.00 O ATOM 0 H GLY A 78 -4.268 10.353 0.337 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.635 10.361 -2.518 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.849 9.014 -1.417 1.00 0.00 H new ATOM 1242 N LYS A 79 -7.249 9.028 -1.907 1.00 0.00 N ATOM 1243 CA LYS A 79 -8.697 8.995 -2.038 1.00 0.00 C ATOM 1244 C LYS A 79 -9.313 8.264 -0.837 1.00 0.00 C ATOM 1245 O LYS A 79 -8.906 8.423 0.307 1.00 0.00 O ATOM 1246 CB LYS A 79 -9.050 8.283 -3.348 1.00 0.00 C ATOM 1247 CG LYS A 79 -10.328 8.832 -3.975 1.00 0.00 C ATOM 1248 CD LYS A 79 -10.234 8.823 -5.500 1.00 0.00 C ATOM 1249 CE LYS A 79 -11.610 8.961 -6.153 1.00 0.00 C ATOM 1250 NZ LYS A 79 -12.263 10.220 -5.815 1.00 0.00 N ATOM 0 H LYS A 79 -6.781 8.125 -1.984 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.099 10.008 -2.057 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.226 8.392 -4.053 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -9.169 7.216 -3.159 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.181 8.233 -3.656 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.503 9.849 -3.623 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.591 9.639 -5.830 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -9.766 7.896 -5.830 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.504 8.889 -7.235 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.243 8.131 -5.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -13.169 10.288 -6.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.436 10.257 -4.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -11.651 11.014 -6.092 1.00 0.00 H new ATOM 1264 N LYS A 80 -10.327 7.465 -1.198 1.00 0.00 N ATOM 1265 CA LYS A 80 -11.028 6.679 -0.186 1.00 0.00 C ATOM 1266 C LYS A 80 -11.364 5.310 -0.782 1.00 0.00 C ATOM 1267 O LYS A 80 -11.560 5.173 -1.984 1.00 0.00 O ATOM 1268 CB LYS A 80 -12.299 7.402 0.249 1.00 0.00 C ATOM 1269 CG LYS A 80 -12.780 6.899 1.609 1.00 0.00 C ATOM 1270 CD LYS A 80 -14.209 7.348 1.907 1.00 0.00 C ATOM 1271 CE LYS A 80 -14.617 6.982 3.334 1.00 0.00 C ATOM 1272 NZ LYS A 80 -16.048 6.737 3.458 1.00 0.00 N ATOM 0 H LYS A 80 -10.668 7.350 -2.152 1.00 0.00 H new ATOM 0 HA LYS A 80 -10.397 6.549 0.693 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -12.112 8.475 0.300 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.080 7.250 -0.496 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -12.729 5.810 1.633 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.113 7.267 2.389 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -14.291 8.426 1.768 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -14.895 6.882 1.199 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -14.071 6.093 3.648 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.329 7.788 4.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -16.274 6.493 4.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -16.572 7.593 3.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -16.321 5.950 2.835 1.00 0.00 H new ATOM 1286 N PHE A 81 -11.421 4.304 0.120 1.00 0.00 N ATOM 1287 CA PHE A 81 -11.703 2.981 -0.375 1.00 0.00 C ATOM 1288 C PHE A 81 -12.354 2.096 0.689 1.00 0.00 C ATOM 1289 O PHE A 81 -12.457 2.433 1.863 1.00 0.00 O ATOM 1290 CB PHE A 81 -10.388 2.384 -0.810 1.00 0.00 C ATOM 1291 CG PHE A 81 -9.877 3.078 -2.033 1.00 0.00 C ATOM 1292 CD1 PHE A 81 -10.464 2.814 -3.291 1.00 0.00 C ATOM 1293 CD2 PHE A 81 -8.820 4.018 -1.942 1.00 0.00 C ATOM 1294 CE1 PHE A 81 -10.004 3.479 -4.447 1.00 0.00 C ATOM 1295 CE2 PHE A 81 -8.358 4.685 -3.100 1.00 0.00 C ATOM 1296 CZ PHE A 81 -8.950 4.414 -4.353 1.00 0.00 C ATOM 0 H PHE A 81 -11.282 4.391 1.127 1.00 0.00 H new ATOM 0 HA PHE A 81 -12.410 3.043 -1.202 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -9.659 2.470 -0.004 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -10.514 1.321 -1.014 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -11.270 2.099 -3.368 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.366 4.226 -0.984 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -10.458 3.273 -5.405 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -7.553 5.401 -3.026 1.00 0.00 H new ATOM 0 HZ PHE A 81 -8.597 4.921 -5.239 1.00 0.00 H new ATOM 1306 N ASP A 82 -12.768 0.920 0.181 1.00 0.00 N ATOM 1307 CA ASP A 82 -13.407 -0.039 1.061 1.00 0.00 C ATOM 1308 C ASP A 82 -12.338 -0.878 1.758 1.00 0.00 C ATOM 1309 O ASP A 82 -12.303 -0.993 2.977 1.00 0.00 O ATOM 1310 CB ASP A 82 -14.343 -0.930 0.249 1.00 0.00 C ATOM 1311 CG ASP A 82 -15.169 -1.810 1.190 1.00 0.00 C ATOM 1312 OD1 ASP A 82 -14.779 -1.958 2.347 1.00 0.00 O ATOM 1313 OD2 ASP A 82 -16.192 -2.335 0.755 1.00 0.00 O ATOM 0 H ASP A 82 -12.672 0.631 -0.793 1.00 0.00 H new ATOM 0 HA ASP A 82 -13.992 0.484 1.818 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -15.004 -0.316 -0.363 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -13.765 -1.554 -0.433 1.00 0.00 H new ATOM 1318 N THR A 83 -11.469 -1.453 0.903 1.00 0.00 N ATOM 1319 CA THR A 83 -10.408 -2.265 1.442 1.00 0.00 C ATOM 1320 C THR A 83 -9.154 -2.004 0.625 1.00 0.00 C ATOM 1321 O THR A 83 -9.184 -1.359 -0.415 1.00 0.00 O ATOM 1322 CB THR A 83 -10.802 -3.738 1.373 1.00 0.00 C ATOM 1323 OG1 THR A 83 -11.139 -4.069 0.048 1.00 0.00 O ATOM 1324 CG2 THR A 83 -11.979 -4.053 2.294 1.00 0.00 C ATOM 0 H THR A 83 -11.491 -1.366 -0.113 1.00 0.00 H new ATOM 0 HA THR A 83 -10.223 -2.014 2.487 1.00 0.00 H new ATOM 0 HB THR A 83 -9.950 -4.331 1.706 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.391 -5.015 0.001 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.229 -5.111 2.216 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.708 -3.819 3.324 1.00 0.00 H new ATOM 0 HG23 THR A 83 -12.841 -3.454 2.001 1.00 0.00 H new ATOM 1332 N LEU A 84 -8.055 -2.545 1.159 1.00 0.00 N ATOM 1333 CA LEU A 84 -6.806 -2.380 0.492 1.00 0.00 C ATOM 1334 C LEU A 84 -6.805 -3.029 -0.890 1.00 0.00 C ATOM 1335 O LEU A 84 -5.849 -2.934 -1.642 1.00 0.00 O ATOM 1336 CB LEU A 84 -5.781 -3.041 1.378 1.00 0.00 C ATOM 1337 CG LEU A 84 -4.933 -2.025 2.124 1.00 0.00 C ATOM 1338 CD1 LEU A 84 -3.901 -2.737 2.991 1.00 0.00 C ATOM 1339 CD2 LEU A 84 -4.256 -1.083 1.137 1.00 0.00 C ATOM 0 H LEU A 84 -8.024 -3.082 2.026 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.595 -1.323 0.330 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.285 -3.689 2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.135 -3.678 0.773 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.577 -1.434 2.776 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.299 -1.999 3.521 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.410 -3.375 3.713 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.254 -3.347 2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.651 -0.359 1.682 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.618 -1.657 0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.014 -0.558 0.556 1.00 0.00 H new ATOM 1351 N TRP A 85 -7.930 -3.682 -1.163 1.00 0.00 N ATOM 1352 CA TRP A 85 -8.068 -4.336 -2.450 1.00 0.00 C ATOM 1353 C TRP A 85 -8.602 -3.338 -3.458 1.00 0.00 C ATOM 1354 O TRP A 85 -8.324 -3.397 -4.648 1.00 0.00 O ATOM 1355 CB TRP A 85 -9.055 -5.484 -2.313 1.00 0.00 C ATOM 1356 CG TRP A 85 -8.392 -6.778 -2.721 1.00 0.00 C ATOM 1357 CD1 TRP A 85 -7.807 -7.027 -3.961 1.00 0.00 C ATOM 1358 CD2 TRP A 85 -8.234 -7.956 -1.931 1.00 0.00 C ATOM 1359 NE1 TRP A 85 -7.296 -8.294 -3.974 1.00 0.00 N ATOM 1360 CE2 TRP A 85 -7.536 -8.907 -2.740 1.00 0.00 C ATOM 1361 CE3 TRP A 85 -8.613 -8.280 -0.635 1.00 0.00 C ATOM 1362 CZ2 TRP A 85 -7.229 -10.165 -2.241 1.00 0.00 C ATOM 1363 CZ3 TRP A 85 -8.305 -9.562 -0.115 1.00 0.00 C ATOM 1364 CH2 TRP A 85 -7.612 -10.506 -0.919 1.00 0.00 C ATOM 0 H TRP A 85 -8.729 -3.769 -0.535 1.00 0.00 H new ATOM 0 HA TRP A 85 -7.101 -4.714 -2.783 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -9.406 -5.553 -1.283 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -9.930 -5.300 -2.937 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -7.764 -6.328 -4.783 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -6.814 -8.726 -4.762 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -9.139 -7.559 -0.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -6.702 -10.880 -2.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -8.597 -9.821 0.892 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -7.377 -11.483 -0.524 1.00 0.00 H new ATOM 1375 N GLN A 86 -9.383 -2.420 -2.884 1.00 0.00 N ATOM 1376 CA GLN A 86 -9.981 -1.410 -3.727 1.00 0.00 C ATOM 1377 C GLN A 86 -9.029 -0.248 -3.882 1.00 0.00 C ATOM 1378 O GLN A 86 -8.844 0.289 -4.959 1.00 0.00 O ATOM 1379 CB GLN A 86 -11.314 -0.957 -3.136 1.00 0.00 C ATOM 1380 CG GLN A 86 -12.390 -2.034 -3.282 1.00 0.00 C ATOM 1381 CD GLN A 86 -12.684 -2.274 -4.765 1.00 0.00 C ATOM 1382 OE1 GLN A 86 -12.628 -1.370 -5.590 1.00 0.00 O ATOM 1383 NE2 GLN A 86 -12.999 -3.552 -5.038 1.00 0.00 N ATOM 0 H GLN A 86 -9.602 -2.362 -1.890 1.00 0.00 H new ATOM 0 HA GLN A 86 -10.176 -1.828 -4.715 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.182 -0.715 -2.082 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -11.642 -0.044 -3.634 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -12.057 -2.960 -2.813 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -13.299 -1.725 -2.767 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -13.022 -4.243 -4.288 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -13.215 -3.831 -5.995 1.00 0.00 H new ATOM 1392 N LEU A 87 -8.427 0.102 -2.751 1.00 0.00 N ATOM 1393 CA LEU A 87 -7.494 1.200 -2.821 1.00 0.00 C ATOM 1394 C LEU A 87 -6.277 0.805 -3.653 1.00 0.00 C ATOM 1395 O LEU A 87 -5.638 1.640 -4.272 1.00 0.00 O ATOM 1396 CB LEU A 87 -7.082 1.607 -1.408 1.00 0.00 C ATOM 1397 CG LEU A 87 -6.037 2.721 -1.420 1.00 0.00 C ATOM 1398 CD1 LEU A 87 -5.937 3.375 -0.041 1.00 0.00 C ATOM 1399 CD2 LEU A 87 -4.677 2.165 -1.840 1.00 0.00 C ATOM 0 H LEU A 87 -8.559 -0.329 -1.836 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.970 2.052 -3.306 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.961 1.939 -0.855 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.683 0.740 -0.882 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.345 3.478 -2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.188 4.166 -0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.903 3.799 0.232 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.648 2.626 0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.941 2.969 -1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.367 1.393 -1.136 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.752 1.736 -2.839 1.00 0.00 H new ATOM 1411 N VAL A 88 -6.007 -0.513 -3.648 1.00 0.00 N ATOM 1412 CA VAL A 88 -4.882 -0.974 -4.393 1.00 0.00 C ATOM 1413 C VAL A 88 -5.262 -1.196 -5.837 1.00 0.00 C ATOM 1414 O VAL A 88 -4.531 -0.840 -6.738 1.00 0.00 O ATOM 1415 CB VAL A 88 -4.401 -2.281 -3.823 1.00 0.00 C ATOM 1416 CG1 VAL A 88 -3.506 -2.949 -4.843 1.00 0.00 C ATOM 1417 CG2 VAL A 88 -3.668 -2.057 -2.507 1.00 0.00 C ATOM 0 H VAL A 88 -6.540 -1.228 -3.153 1.00 0.00 H new ATOM 0 HA VAL A 88 -4.097 -0.220 -4.333 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.251 -2.929 -3.610 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.148 -3.899 -4.446 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.069 -3.128 -5.759 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.656 -2.303 -5.060 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.329 -3.015 -2.112 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.808 -1.409 -2.675 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.342 -1.587 -1.791 1.00 0.00 H new ATOM 1427 N GLU A 89 -6.423 -1.849 -6.002 1.00 0.00 N ATOM 1428 CA GLU A 89 -6.823 -2.126 -7.363 1.00 0.00 C ATOM 1429 C GLU A 89 -7.096 -0.831 -8.089 1.00 0.00 C ATOM 1430 O GLU A 89 -6.705 -0.630 -9.232 1.00 0.00 O ATOM 1431 CB GLU A 89 -8.043 -3.008 -7.375 1.00 0.00 C ATOM 1432 CG GLU A 89 -9.254 -2.328 -6.772 1.00 0.00 C ATOM 1433 CD GLU A 89 -10.177 -1.815 -7.880 1.00 0.00 C ATOM 1434 OE1 GLU A 89 -10.860 -2.630 -8.498 1.00 0.00 O ATOM 1435 OE2 GLU A 89 -10.205 -0.607 -8.109 1.00 0.00 O ATOM 0 H GLU A 89 -7.050 -2.169 -5.264 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.016 -2.650 -7.875 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.267 -3.299 -8.401 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.831 -3.924 -6.823 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.793 -3.028 -6.134 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.937 -1.499 -6.139 1.00 0.00 H new ATOM 1442 N HIS A 90 -7.789 0.034 -7.349 1.00 0.00 N ATOM 1443 CA HIS A 90 -8.110 1.307 -7.956 1.00 0.00 C ATOM 1444 C HIS A 90 -6.841 1.971 -8.397 1.00 0.00 C ATOM 1445 O HIS A 90 -6.647 2.328 -9.545 1.00 0.00 O ATOM 1446 CB HIS A 90 -8.826 2.209 -6.970 1.00 0.00 C ATOM 1447 CG HIS A 90 -9.576 3.274 -7.733 1.00 0.00 C ATOM 1448 ND1 HIS A 90 -10.891 3.207 -8.032 1.00 0.00 N ATOM 1449 CD2 HIS A 90 -9.069 4.479 -8.251 1.00 0.00 C ATOM 1450 CE1 HIS A 90 -11.183 4.329 -8.710 1.00 0.00 C ATOM 1451 NE2 HIS A 90 -10.100 5.114 -8.856 1.00 0.00 N ATOM 0 H HIS A 90 -8.116 -0.113 -6.394 1.00 0.00 H new ATOM 0 HA HIS A 90 -8.766 1.133 -8.809 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -9.516 1.627 -6.360 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -8.108 2.668 -6.290 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -8.050 4.831 -8.180 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -12.164 4.571 -9.090 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -10.063 6.015 -9.332 1.00 0.00 H new ATOM 1459 N TYR A 91 -6.011 2.124 -7.386 1.00 0.00 N ATOM 1460 CA TYR A 91 -4.736 2.750 -7.636 1.00 0.00 C ATOM 1461 C TYR A 91 -3.946 1.931 -8.657 1.00 0.00 C ATOM 1462 O TYR A 91 -3.073 2.441 -9.347 1.00 0.00 O ATOM 1463 CB TYR A 91 -3.975 2.908 -6.337 1.00 0.00 C ATOM 1464 CG TYR A 91 -4.400 4.168 -5.620 1.00 0.00 C ATOM 1465 CD1 TYR A 91 -5.705 4.699 -5.814 1.00 0.00 C ATOM 1466 CD2 TYR A 91 -3.518 4.830 -4.730 1.00 0.00 C ATOM 1467 CE1 TYR A 91 -6.120 5.859 -5.127 1.00 0.00 C ATOM 1468 CE2 TYR A 91 -3.939 5.995 -4.044 1.00 0.00 C ATOM 1469 CZ TYR A 91 -5.236 6.506 -4.242 1.00 0.00 C ATOM 1470 OH TYR A 91 -5.640 7.641 -3.569 1.00 0.00 O ATOM 0 H TYR A 91 -6.187 1.836 -6.423 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.892 3.745 -8.054 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -4.152 2.043 -5.698 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -2.904 2.942 -6.539 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -6.385 4.209 -6.495 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -2.521 4.445 -4.574 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -7.115 6.251 -5.280 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -3.262 6.494 -3.366 1.00 0.00 H new ATOM 0 HH TYR A 91 -5.284 8.434 -4.022 1.00 0.00 H new ATOM 1480 N SER A 92 -4.296 0.627 -8.717 1.00 0.00 N ATOM 1481 CA SER A 92 -3.627 -0.199 -9.707 1.00 0.00 C ATOM 1482 C SER A 92 -3.905 0.371 -11.101 1.00 0.00 C ATOM 1483 O SER A 92 -3.247 0.054 -12.084 1.00 0.00 O ATOM 1484 CB SER A 92 -4.179 -1.600 -9.614 1.00 0.00 C ATOM 1485 OG SER A 92 -3.158 -2.559 -9.731 1.00 0.00 O ATOM 0 H SER A 92 -4.989 0.162 -8.131 1.00 0.00 H new ATOM 0 HA SER A 92 -2.552 -0.212 -9.529 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.694 -1.728 -8.662 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.918 -1.755 -10.400 1.00 0.00 H new ATOM 0 HG SER A 92 -3.544 -3.457 -9.665 1.00 0.00 H new ATOM 1491 N TYR A 93 -4.933 1.237 -11.094 1.00 0.00 N ATOM 1492 CA TYR A 93 -5.345 1.869 -12.323 1.00 0.00 C ATOM 1493 C TYR A 93 -4.540 3.135 -12.513 1.00 0.00 C ATOM 1494 O TYR A 93 -3.862 3.342 -13.510 1.00 0.00 O ATOM 1495 CB TYR A 93 -6.818 2.246 -12.215 1.00 0.00 C ATOM 1496 CG TYR A 93 -7.685 1.078 -11.835 1.00 0.00 C ATOM 1497 CD1 TYR A 93 -7.221 -0.252 -11.996 1.00 0.00 C ATOM 1498 CD2 TYR A 93 -8.975 1.302 -11.303 1.00 0.00 C ATOM 1499 CE1 TYR A 93 -8.041 -1.344 -11.631 1.00 0.00 C ATOM 1500 CE2 TYR A 93 -9.797 0.210 -10.937 1.00 0.00 C ATOM 1501 CZ TYR A 93 -9.329 -1.113 -11.102 1.00 0.00 C ATOM 1502 OH TYR A 93 -10.130 -2.179 -10.746 1.00 0.00 O ATOM 0 H TYR A 93 -5.470 1.499 -10.267 1.00 0.00 H new ATOM 0 HA TYR A 93 -5.189 1.190 -13.161 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -6.934 3.037 -11.474 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -7.157 2.651 -13.169 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.236 -0.432 -12.400 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -9.335 2.312 -11.175 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -7.682 -2.355 -11.757 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -10.782 0.388 -10.532 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.812 -1.878 -10.110 1.00 0.00 H new ATOM 1512 N LYS A 94 -4.732 3.976 -11.491 1.00 0.00 N ATOM 1513 CA LYS A 94 -4.067 5.241 -11.461 1.00 0.00 C ATOM 1514 C LYS A 94 -3.403 5.485 -10.126 1.00 0.00 C ATOM 1515 O LYS A 94 -3.441 4.693 -9.197 1.00 0.00 O ATOM 1516 CB LYS A 94 -5.118 6.298 -11.628 1.00 0.00 C ATOM 1517 CG LYS A 94 -6.285 6.059 -10.659 1.00 0.00 C ATOM 1518 CD LYS A 94 -7.429 7.041 -10.896 1.00 0.00 C ATOM 1519 CE LYS A 94 -8.417 6.502 -11.930 1.00 0.00 C ATOM 1520 NZ LYS A 94 -9.478 7.455 -12.235 1.00 0.00 N ATOM 0 H LYS A 94 -5.339 3.789 -10.693 1.00 0.00 H new ATOM 0 HA LYS A 94 -3.309 5.261 -12.244 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -4.684 7.281 -11.447 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -5.484 6.295 -12.655 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.651 5.039 -10.776 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.931 6.155 -9.633 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.949 7.231 -9.957 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.027 7.995 -11.236 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -7.881 6.254 -12.846 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -8.859 5.577 -11.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -10.122 7.044 -12.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -10.009 7.673 -11.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.061 8.329 -12.615 1.00 0.00 H new ATOM 1534 N ALA A 95 -2.801 6.664 -10.125 1.00 0.00 N ATOM 1535 CA ALA A 95 -2.148 7.129 -8.919 1.00 0.00 C ATOM 1536 C ALA A 95 -3.217 7.696 -7.979 1.00 0.00 C ATOM 1537 O ALA A 95 -3.244 7.421 -6.788 1.00 0.00 O ATOM 1538 CB ALA A 95 -1.119 8.200 -9.273 1.00 0.00 C ATOM 0 H ALA A 95 -2.752 7.298 -10.922 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.629 6.308 -8.425 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -0.629 8.548 -8.364 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.374 7.780 -9.949 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.618 9.038 -9.760 1.00 0.00 H new ATOM 1544 N ASP A 96 -4.110 8.489 -8.606 1.00 0.00 N ATOM 1545 CA ASP A 96 -5.182 9.095 -7.819 1.00 0.00 C ATOM 1546 C ASP A 96 -4.649 10.217 -6.928 1.00 0.00 C ATOM 1547 O ASP A 96 -5.389 10.970 -6.307 1.00 0.00 O ATOM 1548 CB ASP A 96 -5.845 8.029 -6.983 1.00 0.00 C ATOM 1549 CG ASP A 96 -7.335 7.955 -7.323 1.00 0.00 C ATOM 1550 OD1 ASP A 96 -7.923 8.997 -7.610 1.00 0.00 O ATOM 1551 OD2 ASP A 96 -7.891 6.860 -7.297 1.00 0.00 O ATOM 0 H ASP A 96 -4.108 8.712 -9.601 1.00 0.00 H new ATOM 0 HA ASP A 96 -5.912 9.535 -8.499 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.373 7.064 -7.166 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -5.715 8.251 -5.924 1.00 0.00 H new ATOM 1556 N GLY A 97 -3.324 10.258 -6.923 1.00 0.00 N ATOM 1557 CA GLY A 97 -2.640 11.262 -6.132 1.00 0.00 C ATOM 1558 C GLY A 97 -1.174 10.877 -5.889 1.00 0.00 C ATOM 1559 O GLY A 97 -0.309 11.723 -5.709 1.00 0.00 O ATOM 0 H GLY A 97 -2.718 9.625 -7.444 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -2.686 12.224 -6.643 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -3.149 11.384 -5.176 1.00 0.00 H new ATOM 1563 N LEU A 98 -0.949 9.550 -5.915 1.00 0.00 N ATOM 1564 CA LEU A 98 0.396 9.081 -5.692 1.00 0.00 C ATOM 1565 C LEU A 98 1.329 9.830 -6.628 1.00 0.00 C ATOM 1566 O LEU A 98 0.906 10.591 -7.489 1.00 0.00 O ATOM 1567 CB LEU A 98 0.475 7.590 -6.000 1.00 0.00 C ATOM 1568 CG LEU A 98 -0.641 6.808 -5.326 1.00 0.00 C ATOM 1569 CD1 LEU A 98 -0.733 5.410 -5.909 1.00 0.00 C ATOM 1570 CD2 LEU A 98 -0.406 6.751 -3.821 1.00 0.00 C ATOM 0 H LEU A 98 -1.652 8.830 -6.081 1.00 0.00 H new ATOM 0 HA LEU A 98 0.681 9.251 -4.654 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.423 7.440 -7.078 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.439 7.203 -5.670 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.588 7.316 -5.509 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.536 4.862 -5.416 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.940 5.474 -6.977 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.211 4.888 -5.753 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.211 6.189 -3.348 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.546 6.260 -3.620 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.385 7.763 -3.417 1.00 0.00 H new ATOM 1582 N LEU A 99 2.620 9.563 -6.405 1.00 0.00 N ATOM 1583 CA LEU A 99 3.597 10.177 -7.278 1.00 0.00 C ATOM 1584 C LEU A 99 3.363 9.634 -8.691 1.00 0.00 C ATOM 1585 O LEU A 99 3.421 10.348 -9.685 1.00 0.00 O ATOM 1586 CB LEU A 99 4.991 9.827 -6.780 1.00 0.00 C ATOM 1587 CG LEU A 99 5.987 10.965 -6.994 1.00 0.00 C ATOM 1588 CD1 LEU A 99 6.094 11.307 -8.473 1.00 0.00 C ATOM 1589 CD2 LEU A 99 5.573 12.199 -6.189 1.00 0.00 C ATOM 0 H LEU A 99 2.988 8.960 -5.669 1.00 0.00 H new ATOM 0 HA LEU A 99 3.502 11.263 -7.287 1.00 0.00 H new ATOM 0 HB2 LEU A 99 4.944 9.583 -5.719 1.00 0.00 H new ATOM 0 HB3 LEU A 99 5.346 8.935 -7.297 1.00 0.00 H new ATOM 0 HG LEU A 99 6.965 10.637 -6.643 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.808 12.120 -8.608 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.433 10.431 -9.025 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.118 11.616 -8.847 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.294 13.000 -6.354 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.585 12.529 -6.511 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.545 11.949 -5.128 1.00 0.00 H new ATOM 1601 N ARG A 100 3.089 8.312 -8.690 1.00 0.00 N ATOM 1602 CA ARG A 100 2.810 7.638 -9.935 1.00 0.00 C ATOM 1603 C ARG A 100 1.905 6.439 -9.645 1.00 0.00 C ATOM 1604 O ARG A 100 1.877 5.901 -8.545 1.00 0.00 O ATOM 1605 CB ARG A 100 4.115 7.176 -10.561 1.00 0.00 C ATOM 1606 CG ARG A 100 3.945 6.842 -12.045 1.00 0.00 C ATOM 1607 CD ARG A 100 4.180 8.066 -12.930 1.00 0.00 C ATOM 1608 NE ARG A 100 3.091 9.014 -12.784 1.00 0.00 N ATOM 1609 CZ ARG A 100 2.960 9.995 -13.696 1.00 0.00 C ATOM 1610 NH1 ARG A 100 3.819 10.083 -14.709 1.00 0.00 N ATOM 1611 NH2 ARG A 100 1.971 10.877 -13.586 1.00 0.00 N ATOM 0 H ARG A 100 3.060 7.722 -7.858 1.00 0.00 H new ATOM 0 HA ARG A 100 2.310 8.312 -10.630 1.00 0.00 H new ATOM 0 HB2 ARG A 100 4.869 7.955 -10.448 1.00 0.00 H new ATOM 0 HB3 ARG A 100 4.482 6.298 -10.030 1.00 0.00 H new ATOM 0 HG2 ARG A 100 4.643 6.053 -12.323 1.00 0.00 H new ATOM 0 HG3 ARG A 100 2.941 6.455 -12.218 1.00 0.00 H new ATOM 0 HD2 ARG A 100 5.123 8.542 -12.660 1.00 0.00 H new ATOM 0 HD3 ARG A 100 4.265 7.758 -13.972 1.00 0.00 H new ATOM 0 HE ARG A 100 2.437 8.938 -12.005 1.00 0.00 H new ATOM 0 HH11 ARG A 100 4.578 9.406 -14.795 1.00 0.00 H new ATOM 0 HH12 ARG A 100 3.719 10.827 -15.400 1.00 0.00 H new ATOM 0 HH21 ARG A 100 1.312 10.810 -12.811 1.00 0.00 H new ATOM 0 HH22 ARG A 100 1.872 11.621 -14.277 1.00 0.00 H new ATOM 1625 N VAL A 101 1.174 6.065 -10.704 1.00 0.00 N ATOM 1626 CA VAL A 101 0.275 4.949 -10.586 1.00 0.00 C ATOM 1627 C VAL A 101 1.014 3.730 -10.027 1.00 0.00 C ATOM 1628 O VAL A 101 2.215 3.745 -9.785 1.00 0.00 O ATOM 1629 CB VAL A 101 -0.214 4.613 -11.975 1.00 0.00 C ATOM 1630 CG1 VAL A 101 -1.406 3.702 -11.895 1.00 0.00 C ATOM 1631 CG2 VAL A 101 -0.561 5.882 -12.758 1.00 0.00 C ATOM 0 H VAL A 101 1.196 6.514 -11.619 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.548 5.203 -9.918 1.00 0.00 H new ATOM 0 HB VAL A 101 0.588 4.101 -12.506 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.751 3.465 -12.901 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.127 2.782 -11.381 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.206 4.197 -11.344 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.910 5.611 -13.754 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.345 6.429 -12.235 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.325 6.511 -12.843 1.00 0.00 H new ATOM 1641 N LEU A 102 0.196 2.679 -9.848 1.00 0.00 N ATOM 1642 CA LEU A 102 0.737 1.412 -9.390 1.00 0.00 C ATOM 1643 C LEU A 102 0.757 0.480 -10.579 1.00 0.00 C ATOM 1644 O LEU A 102 0.083 0.686 -11.582 1.00 0.00 O ATOM 1645 CB LEU A 102 -0.139 0.813 -8.305 1.00 0.00 C ATOM 1646 CG LEU A 102 0.084 1.456 -6.938 1.00 0.00 C ATOM 1647 CD1 LEU A 102 0.250 2.966 -7.052 1.00 0.00 C ATOM 1648 CD2 LEU A 102 -1.083 1.122 -6.017 1.00 0.00 C ATOM 0 H LEU A 102 -0.811 2.689 -10.011 1.00 0.00 H new ATOM 0 HA LEU A 102 1.735 1.560 -8.977 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -1.186 0.925 -8.587 1.00 0.00 H new ATOM 0 HB3 LEU A 102 0.059 -0.257 -8.234 1.00 0.00 H new ATOM 0 HG LEU A 102 1.006 1.053 -6.518 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.407 3.391 -6.060 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.110 3.191 -7.683 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.648 3.398 -7.494 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.921 1.582 -5.042 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -2.008 1.504 -6.449 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -1.156 0.041 -5.900 1.00 0.00 H new ATOM 1660 N THR A 103 1.570 -0.549 -10.399 1.00 0.00 N ATOM 1661 CA THR A 103 1.697 -1.504 -11.469 1.00 0.00 C ATOM 1662 C THR A 103 2.038 -2.888 -10.918 1.00 0.00 C ATOM 1663 O THR A 103 1.543 -3.910 -11.378 1.00 0.00 O ATOM 1664 CB THR A 103 2.795 -0.990 -12.403 1.00 0.00 C ATOM 1665 OG1 THR A 103 2.250 -0.725 -13.670 1.00 0.00 O ATOM 1666 CG2 THR A 103 3.958 -1.964 -12.538 1.00 0.00 C ATOM 0 H THR A 103 2.124 -0.734 -9.563 1.00 0.00 H new ATOM 0 HA THR A 103 0.758 -1.607 -12.013 1.00 0.00 H new ATOM 0 HB THR A 103 3.192 -0.076 -11.961 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.954 -0.394 -14.266 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.706 -1.546 -13.212 1.00 0.00 H new ATOM 0 HG22 THR A 103 4.406 -2.133 -11.559 1.00 0.00 H new ATOM 0 HG23 THR A 103 3.595 -2.910 -12.940 1.00 0.00 H new ATOM 1674 N VAL A 104 2.905 -2.840 -9.895 1.00 0.00 N ATOM 1675 CA VAL A 104 3.365 -4.103 -9.316 1.00 0.00 C ATOM 1676 C VAL A 104 3.620 -3.979 -7.824 1.00 0.00 C ATOM 1677 O VAL A 104 4.002 -2.933 -7.333 1.00 0.00 O ATOM 1678 CB VAL A 104 4.708 -4.433 -9.959 1.00 0.00 C ATOM 1679 CG1 VAL A 104 5.331 -5.694 -9.356 1.00 0.00 C ATOM 1680 CG2 VAL A 104 4.584 -4.603 -11.473 1.00 0.00 C ATOM 0 H VAL A 104 3.282 -1.991 -9.474 1.00 0.00 H new ATOM 0 HA VAL A 104 2.601 -4.861 -9.488 1.00 0.00 H new ATOM 0 HB VAL A 104 5.362 -3.586 -9.753 1.00 0.00 H new ATOM 0 HG11 VAL A 104 6.286 -5.895 -9.841 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.490 -5.546 -8.288 1.00 0.00 H new ATOM 0 HG13 VAL A 104 4.661 -6.540 -9.509 1.00 0.00 H new ATOM 0 HG21 VAL A 104 5.562 -4.837 -11.894 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.890 -5.415 -11.692 1.00 0.00 H new ATOM 0 HG23 VAL A 104 4.211 -3.678 -11.914 1.00 0.00 H new ATOM 1690 N PRO A 105 3.388 -5.115 -7.117 1.00 0.00 N ATOM 1691 CA PRO A 105 3.693 -5.198 -5.706 1.00 0.00 C ATOM 1692 C PRO A 105 5.225 -5.159 -5.536 1.00 0.00 C ATOM 1693 O PRO A 105 5.962 -5.834 -6.241 1.00 0.00 O ATOM 1694 CB PRO A 105 3.094 -6.512 -5.219 1.00 0.00 C ATOM 1695 CG PRO A 105 2.514 -7.225 -6.455 1.00 0.00 C ATOM 1696 CD PRO A 105 2.731 -6.291 -7.654 1.00 0.00 C ATOM 0 HA PRO A 105 3.280 -4.372 -5.127 1.00 0.00 H new ATOM 0 HB2 PRO A 105 3.854 -7.128 -4.739 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.316 -6.330 -4.478 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.010 -8.182 -6.617 1.00 0.00 H new ATOM 0 HG3 PRO A 105 1.453 -7.435 -6.317 1.00 0.00 H new ATOM 0 HD2 PRO A 105 3.345 -6.769 -8.417 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.783 -6.030 -8.125 1.00 0.00 H new ATOM 1704 N CYS A 106 5.648 -4.313 -4.585 1.00 0.00 N ATOM 1705 CA CYS A 106 7.089 -4.110 -4.415 1.00 0.00 C ATOM 1706 C CYS A 106 7.740 -5.007 -3.368 1.00 0.00 C ATOM 1707 O CYS A 106 8.858 -5.472 -3.543 1.00 0.00 O ATOM 1708 CB CYS A 106 7.329 -2.656 -4.045 1.00 0.00 C ATOM 1709 SG CYS A 106 8.957 -2.065 -4.571 1.00 0.00 S ATOM 0 H CYS A 106 5.047 -3.784 -3.953 1.00 0.00 H new ATOM 0 HA CYS A 106 7.554 -4.378 -5.364 1.00 0.00 H new ATOM 0 HB2 CYS A 106 6.557 -2.036 -4.501 1.00 0.00 H new ATOM 0 HB3 CYS A 106 7.235 -2.539 -2.965 1.00 0.00 H new ATOM 0 HG CYS A 106 8.945 -0.767 -4.644 1.00 0.00 H new ATOM 1715 N GLN A 107 7.003 -5.170 -2.264 1.00 0.00 N ATOM 1716 CA GLN A 107 7.533 -5.943 -1.167 1.00 0.00 C ATOM 1717 C GLN A 107 8.319 -7.159 -1.638 1.00 0.00 C ATOM 1718 O GLN A 107 8.390 -7.507 -2.804 1.00 0.00 O ATOM 1719 CB GLN A 107 6.388 -6.358 -0.277 1.00 0.00 C ATOM 1720 CG GLN A 107 6.701 -6.061 1.185 1.00 0.00 C ATOM 1721 CD GLN A 107 7.494 -7.194 1.846 1.00 0.00 C ATOM 1722 OE1 GLN A 107 8.314 -6.968 2.728 1.00 0.00 O ATOM 1723 NE2 GLN A 107 7.184 -8.416 1.378 1.00 0.00 N ATOM 0 H GLN A 107 6.069 -4.786 -2.120 1.00 0.00 H new ATOM 0 HA GLN A 107 8.237 -5.322 -0.613 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.482 -5.830 -0.574 1.00 0.00 H new ATOM 0 HB3 GLN A 107 6.192 -7.423 -0.402 1.00 0.00 H new ATOM 0 HG2 GLN A 107 7.270 -5.134 1.252 1.00 0.00 H new ATOM 0 HG3 GLN A 107 5.770 -5.904 1.730 1.00 0.00 H new ATOM 0 HE21 GLN A 107 6.488 -8.518 0.640 1.00 0.00 H new ATOM 0 HE22 GLN A 107 7.645 -9.241 1.761 1.00 0.00 H new ATOM 1732 N LYS A 108 8.903 -7.779 -0.616 1.00 0.00 N ATOM 1733 CA LYS A 108 9.705 -8.952 -0.878 1.00 0.00 C ATOM 1734 C LYS A 108 8.835 -10.199 -0.764 1.00 0.00 C ATOM 1735 O LYS A 108 7.796 -10.340 -1.398 1.00 0.00 O ATOM 1736 CB LYS A 108 10.887 -8.994 0.096 1.00 0.00 C ATOM 1737 CG LYS A 108 10.445 -8.821 1.544 1.00 0.00 C ATOM 1738 CD LYS A 108 11.634 -8.533 2.460 1.00 0.00 C ATOM 1739 CE LYS A 108 12.461 -9.794 2.719 1.00 0.00 C ATOM 1740 NZ LYS A 108 13.608 -9.538 3.582 1.00 0.00 N ATOM 0 H LYS A 108 8.837 -7.497 0.362 1.00 0.00 H new ATOM 0 HA LYS A 108 10.107 -8.914 -1.890 1.00 0.00 H new ATOM 0 HB2 LYS A 108 11.411 -9.944 -0.011 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.597 -8.208 -0.162 1.00 0.00 H new ATOM 0 HG2 LYS A 108 9.726 -8.005 1.611 1.00 0.00 H new ATOM 0 HG3 LYS A 108 9.935 -9.724 1.881 1.00 0.00 H new ATOM 0 HD2 LYS A 108 12.266 -7.769 2.008 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.276 -8.131 3.408 1.00 0.00 H new ATOM 0 HE2 LYS A 108 11.827 -10.553 3.177 1.00 0.00 H new ATOM 0 HE3 LYS A 108 12.808 -10.199 1.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 14.137 -10.422 3.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 14.228 -8.833 3.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 13.278 -9.176 4.500 1.00 0.00 H new ATOM 1754 N ILE A 109 9.350 -11.079 0.088 1.00 0.00 N ATOM 1755 CA ILE A 109 8.658 -12.331 0.324 1.00 0.00 C ATOM 1756 C ILE A 109 8.775 -12.702 1.800 1.00 0.00 C ATOM 1757 O ILE A 109 9.304 -11.959 2.617 1.00 0.00 O ATOM 1758 CB ILE A 109 9.262 -13.421 -0.562 1.00 0.00 C ATOM 1759 CG1 ILE A 109 8.363 -14.663 -0.599 1.00 0.00 C ATOM 1760 CG2 ILE A 109 10.662 -13.795 -0.075 1.00 0.00 C ATOM 1761 CD1 ILE A 109 6.878 -14.292 -0.577 1.00 0.00 C ATOM 0 H ILE A 109 10.217 -10.952 0.610 1.00 0.00 H new ATOM 0 HA ILE A 109 7.602 -12.228 0.074 1.00 0.00 H new ATOM 0 HB ILE A 109 9.338 -13.025 -1.575 1.00 0.00 H new ATOM 0 HG12 ILE A 109 8.580 -15.242 -1.497 1.00 0.00 H new ATOM 0 HG13 ILE A 109 8.591 -15.302 0.254 1.00 0.00 H new ATOM 0 HG21 ILE A 109 11.075 -14.572 -0.718 1.00 0.00 H new ATOM 0 HG22 ILE A 109 11.306 -12.916 -0.108 1.00 0.00 H new ATOM 0 HG23 ILE A 109 10.605 -14.164 0.949 1.00 0.00 H new ATOM 0 HD11 ILE A 109 6.276 -15.200 -0.604 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.655 -13.736 0.334 1.00 0.00 H new ATOM 0 HD13 ILE A 109 6.644 -13.675 -1.445 1.00 0.00 H new ATOM 1773 N GLY A 110 8.245 -13.902 2.075 1.00 0.00 N ATOM 1774 CA GLY A 110 8.280 -14.385 3.442 1.00 0.00 C ATOM 1775 C GLY A 110 7.378 -15.609 3.610 1.00 0.00 C ATOM 1776 O GLY A 110 7.565 -16.642 2.978 1.00 0.00 O ATOM 0 H GLY A 110 7.808 -14.525 1.396 1.00 0.00 H new ATOM 0 HA2 GLY A 110 9.303 -14.642 3.715 1.00 0.00 H new ATOM 0 HA3 GLY A 110 7.958 -13.595 4.120 1.00 0.00 H new ATOM 1780 N THR A 111 6.391 -15.418 4.504 1.00 0.00 N ATOM 1781 CA THR A 111 5.461 -16.506 4.753 1.00 0.00 C ATOM 1782 C THR A 111 4.275 -16.392 3.800 1.00 0.00 C ATOM 1783 O THR A 111 3.850 -17.356 3.175 1.00 0.00 O ATOM 1784 CB THR A 111 4.987 -16.453 6.205 1.00 0.00 C ATOM 1785 OG1 THR A 111 4.445 -17.700 6.563 1.00 0.00 O ATOM 1786 CG2 THR A 111 3.941 -15.361 6.429 1.00 0.00 C ATOM 0 H THR A 111 6.229 -14.563 5.036 1.00 0.00 H new ATOM 0 HA THR A 111 5.959 -17.461 4.582 1.00 0.00 H new ATOM 0 HB THR A 111 5.850 -16.218 6.828 1.00 0.00 H new ATOM 0 HG1 THR A 111 4.142 -17.670 7.494 1.00 0.00 H new ATOM 0 HG21 THR A 111 3.634 -15.361 7.475 1.00 0.00 H new ATOM 0 HG22 THR A 111 4.368 -14.391 6.176 1.00 0.00 H new ATOM 0 HG23 THR A 111 3.074 -15.552 5.796 1.00 0.00 H new ATOM 1794 N GLN A 112 3.778 -15.147 3.736 1.00 0.00 N ATOM 1795 CA GLN A 112 2.648 -14.894 2.887 1.00 0.00 C ATOM 1796 C GLN A 112 2.846 -13.571 2.147 1.00 0.00 C ATOM 1797 O GLN A 112 3.288 -13.600 1.000 1.00 0.00 O ATOM 1798 CB GLN A 112 1.399 -14.839 3.755 1.00 0.00 C ATOM 1799 CG GLN A 112 0.797 -16.228 3.952 1.00 0.00 C ATOM 1800 CD GLN A 112 -0.585 -16.109 4.598 1.00 0.00 C ATOM 1801 OE1 GLN A 112 -0.802 -15.339 5.526 1.00 0.00 O ATOM 1802 NE2 GLN A 112 -1.498 -16.924 4.040 1.00 0.00 N ATOM 1803 OXT GLN A 112 2.554 -12.525 2.726 1.00 0.00 O ATOM 0 H GLN A 112 4.137 -14.341 4.248 1.00 0.00 H new ATOM 0 HA GLN A 112 2.543 -15.687 2.146 1.00 0.00 H new ATOM 0 HB2 GLN A 112 1.647 -14.407 4.725 1.00 0.00 H new ATOM 0 HB3 GLN A 112 0.661 -14.183 3.293 1.00 0.00 H new ATOM 0 HG2 GLN A 112 0.717 -16.739 2.992 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.451 -16.832 4.581 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -1.232 -17.535 3.268 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -2.457 -16.931 4.389 1.00 0.00 H new TER 1812 GLN A 112 HETATM 1813 C ACE B 0 5.525 11.256 8.322 1.00 0.00 C HETATM 1814 O ACE B 0 5.508 12.184 7.523 1.00 0.00 O HETATM 1815 CH3 ACE B 0 4.685 11.267 9.594 1.00 0.00 C HETATM 0 H1 ACE B 0 4.001 10.418 9.586 1.00 0.00 H new HETATM 0 H2 ACE B 0 5.340 11.198 10.463 1.00 0.00 H new HETATM 0 H3 ACE B 0 4.113 12.193 9.644 1.00 0.00 H new ATOM 1819 N THR B 1 6.247 10.134 8.191 1.00 0.00 N ATOM 1820 CA THR B 1 6.894 9.876 6.923 1.00 0.00 C ATOM 1821 C THR B 1 5.845 9.430 5.910 1.00 0.00 C ATOM 1822 O THR B 1 5.615 8.247 5.691 1.00 0.00 O ATOM 1823 CB THR B 1 7.951 8.794 7.110 1.00 0.00 C ATOM 1824 OG1 THR B 1 9.206 9.390 7.338 1.00 0.00 O ATOM 1825 CG2 THR B 1 8.039 7.865 5.899 1.00 0.00 C ATOM 0 H THR B 1 6.387 9.430 8.915 1.00 0.00 H new ATOM 0 HA THR B 1 7.379 10.780 6.555 1.00 0.00 H new ATOM 0 HB THR B 1 7.659 8.193 7.971 1.00 0.00 H new ATOM 0 HG1 THR B 1 9.913 8.804 6.996 1.00 0.00 H new ATOM 0 HG21 THR B 1 8.804 7.109 6.075 1.00 0.00 H new ATOM 0 HG22 THR B 1 7.077 7.377 5.744 1.00 0.00 H new ATOM 0 HG23 THR B 1 8.299 8.445 5.014 1.00 0.00 H new HETATM 1833 N PTR B 2 5.200 10.444 5.328 1.00 0.00 N HETATM 1834 CA PTR B 2 4.180 10.106 4.357 1.00 0.00 C HETATM 1835 C PTR B 2 4.083 11.125 3.238 1.00 0.00 C HETATM 1836 O PTR B 2 3.735 12.284 3.425 1.00 0.00 O HETATM 1837 CB PTR B 2 2.846 9.953 5.066 1.00 0.00 C HETATM 1838 CG PTR B 2 2.975 8.837 6.029 1.00 0.00 C HETATM 1839 CD1 PTR B 2 2.833 7.504 5.583 1.00 0.00 C HETATM 1840 CD2 PTR B 2 3.393 9.096 7.355 1.00 0.00 C HETATM 1841 CE1 PTR B 2 3.110 6.439 6.443 1.00 0.00 C HETATM 1842 CE2 PTR B 2 3.679 8.034 8.224 1.00 0.00 C HETATM 1843 CZ PTR B 2 3.534 6.707 7.763 1.00 0.00 C HETATM 1844 OH PTR B 2 3.822 5.640 8.623 1.00 0.00 O HETATM 1845 P PTR B 2 3.174 5.640 10.042 1.00 0.00 P HETATM 1846 O1P PTR B 2 4.345 5.325 11.008 1.00 0.00 O HETATM 1847 O2P PTR B 2 2.194 4.439 10.025 1.00 0.00 O HETATM 1848 O3P PTR B 2 2.491 6.936 10.368 1.00 0.00 O HETATM 0 HE2 PTR B 2 4.010 8.230 9.244 1.00 0.00 H new HETATM 0 HE1 PTR B 2 3.000 5.411 6.099 1.00 0.00 H new HETATM 0 HD2 PTR B 2 3.493 10.124 7.702 1.00 0.00 H new HETATM 0 HD1 PTR B 2 2.506 7.306 4.562 1.00 0.00 H new HETATM 0 HB3 PTR B 2 2.579 10.875 5.582 1.00 0.00 H new HETATM 0 HB2 PTR B 2 2.052 9.749 4.348 1.00 0.00 H new HETATM 0 HA PTR B 2 4.459 9.162 3.888 1.00 0.00 H new HETATM 0 H PTR B 2 5.756 11.291 5.210 1.00 0.00 H new ATOM 1857 N GLU B 3 4.417 10.584 2.060 1.00 0.00 N ATOM 1858 CA GLU B 3 4.338 11.399 0.872 1.00 0.00 C ATOM 1859 C GLU B 3 2.931 11.953 0.747 1.00 0.00 C ATOM 1860 O GLU B 3 2.007 11.530 1.431 1.00 0.00 O ATOM 1861 CB GLU B 3 4.716 10.573 -0.330 1.00 0.00 C ATOM 1862 CG GLU B 3 6.171 10.128 -0.253 1.00 0.00 C ATOM 1863 CD GLU B 3 7.015 11.093 0.587 1.00 0.00 C ATOM 1864 OE1 GLU B 3 7.433 12.121 0.058 1.00 0.00 O ATOM 1865 OE2 GLU B 3 7.245 10.801 1.760 1.00 0.00 O ATOM 0 H GLU B 3 4.731 9.624 1.919 1.00 0.00 H new ATOM 0 HA GLU B 3 5.034 12.236 0.936 1.00 0.00 H new ATOM 0 HB2 GLU B 3 4.068 9.699 -0.393 1.00 0.00 H new ATOM 0 HB3 GLU B 3 4.557 11.154 -1.239 1.00 0.00 H new ATOM 0 HG2 GLU B 3 6.224 9.128 0.178 1.00 0.00 H new ATOM 0 HG3 GLU B 3 6.585 10.063 -1.259 1.00 0.00 H new ATOM 1872 N THR B 4 2.827 12.925 -0.167 1.00 0.00 N ATOM 1873 CA THR B 4 1.533 13.537 -0.349 1.00 0.00 C ATOM 1874 C THR B 4 0.949 13.158 -1.695 1.00 0.00 C ATOM 1875 O THR B 4 1.377 13.591 -2.758 1.00 0.00 O ATOM 1876 CB THR B 4 1.654 15.048 -0.212 1.00 0.00 C ATOM 1877 OG1 THR B 4 2.942 15.459 -0.607 1.00 0.00 O ATOM 1878 CG2 THR B 4 1.385 15.511 1.219 1.00 0.00 C ATOM 0 H THR B 4 3.582 13.280 -0.754 1.00 0.00 H new ATOM 0 HA THR B 4 0.855 13.171 0.422 1.00 0.00 H new ATOM 0 HB THR B 4 0.902 15.502 -0.858 1.00 0.00 H new ATOM 0 HG1 THR B 4 3.016 16.432 -0.519 1.00 0.00 H new ATOM 0 HG21 THR B 4 1.481 16.595 1.275 1.00 0.00 H new ATOM 0 HG22 THR B 4 0.376 15.221 1.512 1.00 0.00 H new ATOM 0 HG23 THR B 4 2.106 15.048 1.893 1.00 0.00 H new ATOM 1886 N LEU B 5 -0.065 12.311 -1.538 1.00 0.00 N ATOM 1887 CA LEU B 5 -0.789 11.830 -2.670 1.00 0.00 C ATOM 1888 C LEU B 5 -1.374 13.026 -3.432 1.00 0.00 C ATOM 1889 O LEU B 5 -0.804 13.521 -4.396 1.00 0.00 O ATOM 1890 CB LEU B 5 -1.881 10.912 -2.144 1.00 0.00 C ATOM 1891 CG LEU B 5 -1.579 9.479 -2.497 1.00 0.00 C ATOM 1892 CD1 LEU B 5 -1.690 8.588 -1.284 1.00 0.00 C ATOM 1893 CD2 LEU B 5 -2.546 9.005 -3.542 1.00 0.00 C ATOM 0 H LEU B 5 -0.388 11.956 -0.638 1.00 0.00 H new ATOM 0 HA LEU B 5 -0.152 11.278 -3.361 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -1.963 11.017 -1.062 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -2.843 11.202 -2.566 1.00 0.00 H new ATOM 0 HG LEU B 5 -0.558 9.429 -2.877 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -1.467 7.559 -1.567 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -0.981 8.917 -0.524 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -2.702 8.643 -0.884 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -2.327 7.968 -3.797 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -3.563 9.077 -3.156 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -2.452 9.625 -4.433 1.00 0.00 H new HETATM 1905 N NH2 B 6 -2.542 13.461 -2.924 1.00 0.00 N TER 1908 NH2 B 6