USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 767 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 HIS : no HD1:sc= -0.596 K(o=-0.59,f=-1.4) USER MOD Set 1.2: A 44 THR OG1 : rot 170:sc= 0.0027 USER MOD Set 2.1: A 26 MET CE :methyl -122:sc= -2.43 (180deg=-4.16!) USER MOD Set 2.2: A 28 LYS NZ :NH3+ -110:sc= -1.66 (180deg=-3.46!) USER MOD Set 3.1: A 22 HIS : no HD1:sc= -0.247 K(o=-1.7,f=-2.6) USER MOD Set 3.2: A 45 MET CE :methyl 175:sc= -1.49 (180deg=-1.86) USER MOD Single : A 1 MET CE :methyl 157:sc=-0.00765 (180deg=-0.875) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.0815 K(o=-0.082,f=-2.7!) USER MOD Single : A 5 LYS NZ :NH3+ 164:sc=-0.000913 (180deg=-0.0713) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.0469 X(o=-0.047,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 162:sc= -0.0292 (180deg=-0.559) USER MOD Single : A 25 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.174) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0837 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.0412 K(o=-0.041,f=-1.6!) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0.011) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -94:sc= 0.0277 USER MOD Single : A 70 ASN : amide:sc= 0.0265 X(o=0.027,f=-0.21) USER MOD Single : A 72 THR OG1 : rot 81:sc= 0.153 USER MOD Single : A 80 LYS NZ :NH3+ -162:sc=-0.00868 (180deg=-0.116) USER MOD Single : A 82 TYR OH : rot 173:sc= 0.00264 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.0787 USER MOD Single : A 94 SER OG : rot -170:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -0.19 X(o=-0.19,f=-0.044) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.771 9.859 6.686 1.00 0.00 N ATOM 2 CA MET A 1 -13.048 9.161 5.585 1.00 0.00 C ATOM 3 C MET A 1 -11.766 9.904 5.205 1.00 0.00 C ATOM 4 O MET A 1 -11.788 11.113 4.969 1.00 0.00 O ATOM 5 CB MET A 1 -13.984 9.058 4.375 1.00 0.00 C ATOM 6 CG MET A 1 -13.903 7.725 3.648 1.00 0.00 C ATOM 7 SD MET A 1 -15.488 7.214 2.959 1.00 0.00 S ATOM 8 CE MET A 1 -15.172 5.480 2.646 1.00 0.00 C ATOM 0 H1 MET A 1 -14.636 9.332 6.922 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.158 9.912 7.525 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.024 10.820 6.380 1.00 0.00 H new ATOM 0 HA MET A 1 -12.759 8.165 5.921 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.010 9.219 4.706 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.746 9.858 3.674 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.169 7.797 2.846 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.547 6.960 4.338 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.117 4.938 2.614 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.659 5.370 1.691 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.548 5.074 3.442 1.00 0.00 H new ATOM 20 N VAL A 2 -10.653 9.173 5.152 1.00 0.00 N ATOM 21 CA VAL A 2 -9.358 9.762 4.806 1.00 0.00 C ATOM 22 C VAL A 2 -8.989 9.494 3.346 1.00 0.00 C ATOM 23 O VAL A 2 -9.477 8.541 2.738 1.00 0.00 O ATOM 24 CB VAL A 2 -8.227 9.220 5.711 1.00 0.00 C ATOM 25 CG1 VAL A 2 -8.439 9.641 7.160 1.00 0.00 C ATOM 26 CG2 VAL A 2 -8.128 7.703 5.598 1.00 0.00 C ATOM 0 H VAL A 2 -10.621 8.172 5.344 1.00 0.00 H new ATOM 0 HA VAL A 2 -9.460 10.836 4.960 1.00 0.00 H new ATOM 0 HB VAL A 2 -7.285 9.651 5.370 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -7.630 9.247 7.775 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.448 10.729 7.225 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.391 9.248 7.517 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -7.326 7.342 6.242 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.072 7.253 5.906 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -7.915 7.428 4.565 1.00 0.00 H new ATOM 36 N ASN A 3 -8.116 10.340 2.793 1.00 0.00 N ATOM 37 CA ASN A 3 -7.667 10.195 1.407 1.00 0.00 C ATOM 38 C ASN A 3 -6.143 10.265 1.311 1.00 0.00 C ATOM 39 O ASN A 3 -5.520 11.211 1.799 1.00 0.00 O ATOM 40 CB ASN A 3 -8.298 11.265 0.505 1.00 0.00 C ATOM 41 CG ASN A 3 -8.327 12.651 1.132 1.00 0.00 C ATOM 42 OD1 ASN A 3 -7.634 12.923 2.112 1.00 0.00 O ATOM 43 ND2 ASN A 3 -9.136 13.538 0.561 1.00 0.00 N ATOM 0 H ASN A 3 -7.706 11.134 3.285 1.00 0.00 H new ATOM 0 HA ASN A 3 -7.993 9.214 1.062 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -7.744 11.311 -0.432 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -9.317 10.966 0.258 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -9.199 14.485 0.934 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -9.694 13.271 -0.250 1.00 0.00 H new ATOM 50 N VAL A 4 -5.550 9.249 0.681 1.00 0.00 N ATOM 51 CA VAL A 4 -4.100 9.181 0.519 1.00 0.00 C ATOM 52 C VAL A 4 -3.719 8.930 -0.941 1.00 0.00 C ATOM 53 O VAL A 4 -4.344 8.114 -1.621 1.00 0.00 O ATOM 54 CB VAL A 4 -3.485 8.065 1.390 1.00 0.00 C ATOM 55 CG1 VAL A 4 -1.966 8.162 1.386 1.00 0.00 C ATOM 56 CG2 VAL A 4 -4.026 8.119 2.815 1.00 0.00 C ATOM 0 H VAL A 4 -6.055 8.461 0.275 1.00 0.00 H new ATOM 0 HA VAL A 4 -3.704 10.145 0.839 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.771 7.105 0.961 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.549 7.368 2.005 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -1.597 8.058 0.365 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -1.662 9.130 1.785 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -3.575 7.321 3.406 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.781 9.083 3.261 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -5.108 7.991 2.798 1.00 0.00 H new ATOM 66 N LYS A 5 -2.684 9.630 -1.412 1.00 0.00 N ATOM 67 CA LYS A 5 -2.213 9.475 -2.787 1.00 0.00 C ATOM 68 C LYS A 5 -1.121 8.408 -2.866 1.00 0.00 C ATOM 69 O LYS A 5 0.029 8.652 -2.492 1.00 0.00 O ATOM 70 CB LYS A 5 -1.688 10.809 -3.326 1.00 0.00 C ATOM 71 CG LYS A 5 -1.585 10.856 -4.843 1.00 0.00 C ATOM 72 CD LYS A 5 -0.232 11.387 -5.294 1.00 0.00 C ATOM 73 CE LYS A 5 -0.377 12.499 -6.323 1.00 0.00 C ATOM 74 NZ LYS A 5 -0.983 13.731 -5.739 1.00 0.00 N ATOM 0 H LYS A 5 -2.158 10.308 -0.861 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.054 9.155 -3.402 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.346 11.611 -2.990 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -0.705 11.002 -2.897 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.739 9.857 -5.250 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.377 11.489 -5.243 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.318 11.760 -4.430 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.355 10.573 -5.719 1.00 0.00 H new ATOM 0 HE2 LYS A 5 0.602 12.739 -6.737 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.995 12.149 -7.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.819 14.535 -6.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.006 13.590 -5.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.547 13.928 -4.815 1.00 0.00 H new ATOM 88 N VAL A 6 -1.493 7.225 -3.353 1.00 0.00 N ATOM 89 CA VAL A 6 -0.557 6.109 -3.484 1.00 0.00 C ATOM 90 C VAL A 6 0.080 6.091 -4.872 1.00 0.00 C ATOM 91 O VAL A 6 -0.576 6.402 -5.866 1.00 0.00 O ATOM 92 CB VAL A 6 -1.260 4.753 -3.244 1.00 0.00 C ATOM 93 CG1 VAL A 6 -0.246 3.628 -3.100 1.00 0.00 C ATOM 94 CG2 VAL A 6 -2.162 4.819 -2.019 1.00 0.00 C ATOM 0 H VAL A 6 -2.441 7.014 -3.665 1.00 0.00 H new ATOM 0 HA VAL A 6 0.215 6.252 -2.728 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.879 4.541 -4.115 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.769 2.686 -2.932 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.349 3.556 -4.011 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.409 3.835 -2.254 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.645 3.853 -1.871 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.565 5.065 -1.141 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.922 5.586 -2.168 1.00 0.00 H new ATOM 104 N GLU A 7 1.358 5.719 -4.935 1.00 0.00 N ATOM 105 CA GLU A 7 2.070 5.654 -6.207 1.00 0.00 C ATOM 106 C GLU A 7 2.709 4.281 -6.404 1.00 0.00 C ATOM 107 O GLU A 7 3.714 3.951 -5.769 1.00 0.00 O ATOM 108 CB GLU A 7 3.130 6.753 -6.289 1.00 0.00 C ATOM 109 CG GLU A 7 2.697 7.947 -7.125 1.00 0.00 C ATOM 110 CD GLU A 7 3.847 8.875 -7.461 1.00 0.00 C ATOM 111 OE1 GLU A 7 4.342 9.564 -6.543 1.00 0.00 O ATOM 112 OE2 GLU A 7 4.253 8.914 -8.642 1.00 0.00 O ATOM 0 H GLU A 7 1.918 5.459 -4.123 1.00 0.00 H new ATOM 0 HA GLU A 7 1.346 5.812 -7.007 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.370 7.092 -5.281 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.044 6.335 -6.711 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.241 7.592 -8.049 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.932 8.505 -6.585 1.00 0.00 H new ATOM 119 N PHE A 8 2.110 3.485 -7.288 1.00 0.00 N ATOM 120 CA PHE A 8 2.600 2.140 -7.579 1.00 0.00 C ATOM 121 C PHE A 8 3.562 2.151 -8.763 1.00 0.00 C ATOM 122 O PHE A 8 3.245 2.685 -9.827 1.00 0.00 O ATOM 123 CB PHE A 8 1.424 1.203 -7.861 1.00 0.00 C ATOM 124 CG PHE A 8 0.567 0.948 -6.652 1.00 0.00 C ATOM 125 CD1 PHE A 8 0.908 -0.042 -5.747 1.00 0.00 C ATOM 126 CD2 PHE A 8 -0.573 1.702 -6.419 1.00 0.00 C ATOM 127 CE1 PHE A 8 0.131 -0.278 -4.631 1.00 0.00 C ATOM 128 CE2 PHE A 8 -1.356 1.470 -5.304 1.00 0.00 C ATOM 129 CZ PHE A 8 -1.003 0.479 -4.409 1.00 0.00 C ATOM 0 H PHE A 8 1.280 3.751 -7.818 1.00 0.00 H new ATOM 0 HA PHE A 8 3.143 1.778 -6.706 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.808 1.632 -8.651 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.806 0.253 -8.234 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.793 -0.637 -5.916 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.852 2.478 -7.116 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.409 -1.053 -3.932 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.242 2.063 -5.133 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.613 0.296 -3.537 1.00 0.00 H new ATOM 139 N LEU A 9 4.743 1.567 -8.565 1.00 0.00 N ATOM 140 CA LEU A 9 5.762 1.522 -9.611 1.00 0.00 C ATOM 141 C LEU A 9 6.359 0.123 -9.760 1.00 0.00 C ATOM 142 O LEU A 9 6.146 -0.750 -8.916 1.00 0.00 O ATOM 143 CB LEU A 9 6.869 2.532 -9.302 1.00 0.00 C ATOM 144 CG LEU A 9 6.468 3.998 -9.473 1.00 0.00 C ATOM 145 CD1 LEU A 9 5.681 4.481 -8.265 1.00 0.00 C ATOM 146 CD2 LEU A 9 7.696 4.866 -9.694 1.00 0.00 C ATOM 0 H LEU A 9 5.017 1.119 -7.691 1.00 0.00 H new ATOM 0 HA LEU A 9 5.282 1.780 -10.555 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.204 2.379 -8.276 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.721 2.325 -9.950 1.00 0.00 H new ATOM 0 HG LEU A 9 5.829 4.079 -10.353 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.405 5.526 -8.405 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.779 3.879 -8.154 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.294 4.385 -7.369 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.390 5.905 -9.814 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.362 4.780 -8.835 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.218 4.536 -10.592 1.00 0.00 H new ATOM 158 N GLY A 10 7.111 -0.074 -10.843 1.00 0.00 N ATOM 159 CA GLY A 10 7.736 -1.359 -11.100 1.00 0.00 C ATOM 160 C GLY A 10 6.822 -2.302 -11.857 1.00 0.00 C ATOM 161 O GLY A 10 6.550 -2.092 -13.040 1.00 0.00 O ATOM 0 H GLY A 10 7.298 0.638 -11.549 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.652 -1.207 -11.671 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.023 -1.817 -10.153 1.00 0.00 H new ATOM 165 N GLY A 11 6.346 -3.340 -11.170 1.00 0.00 N ATOM 166 CA GLY A 11 5.458 -4.306 -11.795 1.00 0.00 C ATOM 167 C GLY A 11 4.099 -4.392 -11.115 1.00 0.00 C ATOM 168 O GLY A 11 3.426 -5.420 -11.204 1.00 0.00 O ATOM 0 H GLY A 11 6.560 -3.528 -10.191 1.00 0.00 H new ATOM 0 HA2 GLY A 11 5.318 -4.038 -12.842 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.929 -5.289 -11.778 1.00 0.00 H new ATOM 172 N LEU A 12 3.693 -3.316 -10.436 1.00 0.00 N ATOM 173 CA LEU A 12 2.405 -3.286 -9.744 1.00 0.00 C ATOM 174 C LEU A 12 1.355 -2.531 -10.559 1.00 0.00 C ATOM 175 O LEU A 12 0.185 -2.914 -10.580 1.00 0.00 O ATOM 176 CB LEU A 12 2.558 -2.649 -8.361 1.00 0.00 C ATOM 177 CG LEU A 12 2.914 -3.624 -7.236 1.00 0.00 C ATOM 178 CD1 LEU A 12 3.104 -2.877 -5.924 1.00 0.00 C ATOM 179 CD2 LEU A 12 1.838 -4.694 -7.101 1.00 0.00 C ATOM 0 H LEU A 12 4.237 -2.457 -10.352 1.00 0.00 H new ATOM 0 HA LEU A 12 2.065 -4.315 -9.625 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.330 -1.882 -8.414 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.626 -2.146 -8.104 1.00 0.00 H new ATOM 0 HG LEU A 12 3.854 -4.116 -7.485 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.357 -3.586 -5.135 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.910 -2.151 -6.032 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.181 -2.358 -5.664 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.106 -5.380 -6.297 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.882 -4.222 -6.873 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.755 -5.247 -8.037 1.00 0.00 H new ATOM 191 N ASP A 13 1.780 -1.460 -11.233 1.00 0.00 N ATOM 192 CA ASP A 13 0.876 -0.651 -12.057 1.00 0.00 C ATOM 193 C ASP A 13 0.301 -1.446 -13.236 1.00 0.00 C ATOM 194 O ASP A 13 -0.696 -1.038 -13.832 1.00 0.00 O ATOM 195 CB ASP A 13 1.597 0.595 -12.587 1.00 0.00 C ATOM 196 CG ASP A 13 2.887 0.262 -13.314 1.00 0.00 C ATOM 197 OD1 ASP A 13 3.940 0.175 -12.645 1.00 0.00 O ATOM 198 OD2 ASP A 13 2.843 0.083 -14.550 1.00 0.00 O ATOM 0 H ASP A 13 2.746 -1.132 -11.225 1.00 0.00 H new ATOM 0 HA ASP A 13 0.048 -0.351 -11.414 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.933 1.134 -13.263 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.816 1.264 -11.755 1.00 0.00 H new ATOM 203 N ALA A 14 0.928 -2.577 -13.572 1.00 0.00 N ATOM 204 CA ALA A 14 0.461 -3.409 -14.680 1.00 0.00 C ATOM 205 C ALA A 14 -0.613 -4.389 -14.215 1.00 0.00 C ATOM 206 O ALA A 14 -1.496 -4.768 -14.985 1.00 0.00 O ATOM 207 CB ALA A 14 1.628 -4.161 -15.310 1.00 0.00 C ATOM 0 H ALA A 14 1.755 -2.934 -13.095 1.00 0.00 H new ATOM 0 HA ALA A 14 0.020 -2.754 -15.431 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.263 -4.776 -16.133 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.360 -3.447 -15.687 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.097 -4.799 -14.561 1.00 0.00 H new ATOM 213 N ILE A 15 -0.529 -4.794 -12.950 1.00 0.00 N ATOM 214 CA ILE A 15 -1.489 -5.731 -12.376 1.00 0.00 C ATOM 215 C ILE A 15 -2.642 -5.002 -11.672 1.00 0.00 C ATOM 216 O ILE A 15 -3.747 -5.536 -11.572 1.00 0.00 O ATOM 217 CB ILE A 15 -0.815 -6.695 -11.375 1.00 0.00 C ATOM 218 CG1 ILE A 15 0.669 -6.897 -11.706 1.00 0.00 C ATOM 219 CG2 ILE A 15 -1.539 -8.031 -11.379 1.00 0.00 C ATOM 220 CD1 ILE A 15 1.375 -7.862 -10.775 1.00 0.00 C ATOM 0 H ILE A 15 0.196 -4.486 -12.302 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.890 -6.307 -13.210 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.878 -6.251 -10.381 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.757 -7.263 -12.729 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.175 -5.933 -11.667 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.059 -8.707 -10.671 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.579 -7.882 -11.090 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.498 -8.464 -12.379 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.420 -7.954 -11.071 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.319 -7.488 -9.753 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.895 -8.839 -10.831 1.00 0.00 H new ATOM 232 N PHE A 16 -2.380 -3.786 -11.184 1.00 0.00 N ATOM 233 CA PHE A 16 -3.400 -2.998 -10.493 1.00 0.00 C ATOM 234 C PHE A 16 -4.479 -2.515 -11.465 1.00 0.00 C ATOM 235 O PHE A 16 -5.594 -3.039 -11.476 1.00 0.00 O ATOM 236 CB PHE A 16 -2.756 -1.798 -9.789 1.00 0.00 C ATOM 237 CG PHE A 16 -2.483 -2.029 -8.329 1.00 0.00 C ATOM 238 CD1 PHE A 16 -1.560 -2.980 -7.922 1.00 0.00 C ATOM 239 CD2 PHE A 16 -3.151 -1.293 -7.365 1.00 0.00 C ATOM 240 CE1 PHE A 16 -1.311 -3.191 -6.580 1.00 0.00 C ATOM 241 CE2 PHE A 16 -2.906 -1.500 -6.023 1.00 0.00 C ATOM 242 CZ PHE A 16 -1.985 -2.451 -5.629 1.00 0.00 C ATOM 0 H PHE A 16 -1.471 -3.328 -11.255 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.873 -3.640 -9.750 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.820 -1.554 -10.290 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.410 -0.932 -9.895 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.030 -3.562 -8.662 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.872 -0.548 -7.667 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.590 -3.934 -6.275 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.434 -0.919 -5.281 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.792 -2.615 -4.579 1.00 0.00 H new ATOM 252 N GLY A 17 -4.138 -1.512 -12.277 1.00 0.00 N ATOM 253 CA GLY A 17 -5.085 -0.969 -13.242 1.00 0.00 C ATOM 254 C GLY A 17 -4.474 0.108 -14.126 1.00 0.00 C ATOM 255 O GLY A 17 -5.120 1.115 -14.423 1.00 0.00 O ATOM 0 H GLY A 17 -3.221 -1.065 -12.283 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.461 -1.777 -13.869 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.941 -0.554 -12.710 1.00 0.00 H new ATOM 259 N LYS A 18 -3.226 -0.112 -14.548 1.00 0.00 N ATOM 260 CA LYS A 18 -2.508 0.834 -15.407 1.00 0.00 C ATOM 261 C LYS A 18 -2.556 2.261 -14.845 1.00 0.00 C ATOM 262 O LYS A 18 -2.653 3.232 -15.600 1.00 0.00 O ATOM 263 CB LYS A 18 -3.086 0.803 -16.827 1.00 0.00 C ATOM 264 CG LYS A 18 -2.513 -0.306 -17.697 1.00 0.00 C ATOM 265 CD LYS A 18 -1.654 0.252 -18.823 1.00 0.00 C ATOM 266 CE LYS A 18 -1.733 -0.619 -20.069 1.00 0.00 C ATOM 267 NZ LYS A 18 -0.431 -0.684 -20.793 1.00 0.00 N ATOM 0 H LYS A 18 -2.688 -0.944 -14.306 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.463 0.526 -15.438 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.168 0.683 -16.767 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.898 1.763 -17.307 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.916 -0.979 -17.082 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.327 -0.896 -18.118 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.980 1.264 -19.064 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.618 0.322 -18.491 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.041 -1.626 -19.788 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.499 -0.226 -20.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.531 -1.287 -21.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.148 0.273 -21.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.296 -1.083 -20.165 1.00 0.00 H new ATOM 281 N GLN A 19 -2.479 2.384 -13.518 1.00 0.00 N ATOM 282 CA GLN A 19 -2.508 3.690 -12.865 1.00 0.00 C ATOM 283 C GLN A 19 -1.639 3.686 -11.609 1.00 0.00 C ATOM 284 O GLN A 19 -2.040 3.158 -10.569 1.00 0.00 O ATOM 285 CB GLN A 19 -3.948 4.081 -12.505 1.00 0.00 C ATOM 286 CG GLN A 19 -4.081 5.496 -11.954 1.00 0.00 C ATOM 287 CD GLN A 19 -4.818 6.428 -12.898 1.00 0.00 C ATOM 288 OE1 GLN A 19 -4.268 7.430 -13.354 1.00 0.00 O ATOM 289 NE2 GLN A 19 -6.073 6.105 -13.196 1.00 0.00 N ATOM 0 H GLN A 19 -2.396 1.595 -12.877 1.00 0.00 H new ATOM 0 HA GLN A 19 -2.108 4.425 -13.563 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.573 3.986 -13.393 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.333 3.376 -11.768 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -4.608 5.462 -11.000 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -3.088 5.898 -11.755 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.492 5.265 -12.797 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.617 6.697 -13.824 1.00 0.00 H new ATOM 298 N ARG A 20 -0.447 4.279 -11.712 1.00 0.00 N ATOM 299 CA ARG A 20 0.479 4.345 -10.581 1.00 0.00 C ATOM 300 C ARG A 20 -0.079 5.233 -9.469 1.00 0.00 C ATOM 301 O ARG A 20 -0.101 4.835 -8.304 1.00 0.00 O ATOM 302 CB ARG A 20 1.858 4.855 -11.028 1.00 0.00 C ATOM 303 CG ARG A 20 1.839 6.238 -11.661 1.00 0.00 C ATOM 304 CD ARG A 20 3.171 6.575 -12.312 1.00 0.00 C ATOM 305 NE ARG A 20 3.059 7.709 -13.227 1.00 0.00 N ATOM 306 CZ ARG A 20 3.957 8.003 -14.171 1.00 0.00 C ATOM 307 NH1 ARG A 20 5.052 7.261 -14.324 1.00 0.00 N ATOM 308 NH2 ARG A 20 3.757 9.049 -14.965 1.00 0.00 N ATOM 0 H ARG A 20 -0.102 4.719 -12.565 1.00 0.00 H new ATOM 0 HA ARG A 20 0.596 3.335 -10.189 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.523 4.873 -10.165 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.280 4.147 -11.742 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.046 6.286 -12.408 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.606 6.983 -10.901 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.905 6.803 -11.539 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.540 5.705 -12.855 1.00 0.00 H new ATOM 0 HE ARG A 20 2.243 8.315 -13.139 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.213 6.458 -13.716 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.730 7.496 -15.049 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.921 9.623 -14.852 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.439 9.279 -15.688 1.00 0.00 H new ATOM 322 N VAL A 21 -0.534 6.431 -9.837 1.00 0.00 N ATOM 323 CA VAL A 21 -1.095 7.369 -8.870 1.00 0.00 C ATOM 324 C VAL A 21 -2.551 7.019 -8.562 1.00 0.00 C ATOM 325 O VAL A 21 -3.467 7.440 -9.272 1.00 0.00 O ATOM 326 CB VAL A 21 -1.008 8.826 -9.378 1.00 0.00 C ATOM 327 CG1 VAL A 21 -1.438 9.808 -8.296 1.00 0.00 C ATOM 328 CG2 VAL A 21 0.402 9.142 -9.858 1.00 0.00 C ATOM 0 H VAL A 21 -0.524 6.773 -10.798 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.504 7.287 -7.958 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.692 8.931 -10.220 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.367 10.826 -8.680 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.468 9.601 -8.005 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.787 9.701 -7.428 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.444 10.172 -10.212 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.104 9.013 -9.034 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.669 8.468 -10.672 1.00 0.00 H new ATOM 338 N HIS A 22 -2.754 6.236 -7.502 1.00 0.00 N ATOM 339 CA HIS A 22 -4.095 5.815 -7.098 1.00 0.00 C ATOM 340 C HIS A 22 -4.467 6.385 -5.726 1.00 0.00 C ATOM 341 O HIS A 22 -3.595 6.686 -4.911 1.00 0.00 O ATOM 342 CB HIS A 22 -4.180 4.286 -7.078 1.00 0.00 C ATOM 343 CG HIS A 22 -5.410 3.746 -7.737 1.00 0.00 C ATOM 344 ND1 HIS A 22 -6.553 3.412 -7.041 1.00 0.00 N ATOM 345 CD2 HIS A 22 -5.673 3.476 -9.039 1.00 0.00 C ATOM 346 CE1 HIS A 22 -7.464 2.959 -7.885 1.00 0.00 C ATOM 347 NE2 HIS A 22 -6.956 2.988 -9.103 1.00 0.00 N ATOM 0 H HIS A 22 -2.006 5.880 -6.907 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.807 6.204 -7.826 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -3.301 3.875 -7.575 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.151 3.942 -6.044 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -5.000 3.618 -9.871 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -8.456 2.622 -7.622 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -7.437 2.696 -9.953 1.00 0.00 H new ATOM 356 N LYS A 23 -5.773 6.532 -5.481 1.00 0.00 N ATOM 357 CA LYS A 23 -6.266 7.071 -4.211 1.00 0.00 C ATOM 358 C LYS A 23 -6.937 5.986 -3.364 1.00 0.00 C ATOM 359 O LYS A 23 -7.468 5.008 -3.896 1.00 0.00 O ATOM 360 CB LYS A 23 -7.253 8.214 -4.468 1.00 0.00 C ATOM 361 CG LYS A 23 -6.625 9.424 -5.146 1.00 0.00 C ATOM 362 CD LYS A 23 -7.646 10.528 -5.381 1.00 0.00 C ATOM 363 CE LYS A 23 -8.224 10.468 -6.790 1.00 0.00 C ATOM 364 NZ LYS A 23 -9.225 9.372 -6.942 1.00 0.00 N ATOM 0 H LYS A 23 -6.507 6.285 -6.145 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.408 7.451 -3.657 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.070 7.844 -5.088 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.689 8.526 -3.519 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.811 9.806 -4.529 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.189 9.122 -6.098 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.452 10.440 -4.653 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.176 11.499 -5.221 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.693 11.422 -7.029 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.416 10.322 -7.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.806 9.547 -7.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.731 8.462 -7.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.837 9.342 -6.102 1.00 0.00 H new ATOM 378 N ILE A 24 -6.907 6.171 -2.041 1.00 0.00 N ATOM 379 CA ILE A 24 -7.510 5.217 -1.108 1.00 0.00 C ATOM 380 C ILE A 24 -8.455 5.923 -0.133 1.00 0.00 C ATOM 381 O ILE A 24 -8.225 7.073 0.246 1.00 0.00 O ATOM 382 CB ILE A 24 -6.432 4.454 -0.300 1.00 0.00 C ATOM 383 CG1 ILE A 24 -5.328 3.930 -1.226 1.00 0.00 C ATOM 384 CG2 ILE A 24 -7.054 3.305 0.484 1.00 0.00 C ATOM 385 CD1 ILE A 24 -5.806 2.906 -2.236 1.00 0.00 C ATOM 0 H ILE A 24 -6.470 6.976 -1.592 1.00 0.00 H new ATOM 0 HA ILE A 24 -8.074 4.504 -1.708 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.987 5.153 0.408 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.885 4.771 -1.759 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.539 3.486 -0.619 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.277 2.784 1.044 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -7.798 3.698 1.176 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -7.532 2.610 -0.206 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.967 2.585 -2.853 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.222 2.045 -1.712 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.573 3.351 -2.870 1.00 0.00 H new ATOM 397 N LYS A 25 -9.518 5.222 0.271 1.00 0.00 N ATOM 398 CA LYS A 25 -10.501 5.773 1.204 1.00 0.00 C ATOM 399 C LYS A 25 -10.980 4.704 2.191 1.00 0.00 C ATOM 400 O LYS A 25 -11.487 3.657 1.782 1.00 0.00 O ATOM 401 CB LYS A 25 -11.698 6.347 0.436 1.00 0.00 C ATOM 402 CG LYS A 25 -11.918 7.836 0.665 1.00 0.00 C ATOM 403 CD LYS A 25 -11.171 8.680 -0.358 1.00 0.00 C ATOM 404 CE LYS A 25 -11.875 10.008 -0.615 1.00 0.00 C ATOM 405 NZ LYS A 25 -12.112 10.776 0.642 1.00 0.00 N ATOM 0 H LYS A 25 -9.719 4.270 -0.035 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.020 6.572 1.768 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.553 6.170 -0.630 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.598 5.807 0.729 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.984 8.059 0.612 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.586 8.103 1.668 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.157 8.868 -0.004 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.085 8.127 -1.293 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.274 10.609 -1.298 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.828 9.822 -1.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.370 11.756 0.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.886 10.334 1.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.246 10.774 1.218 1.00 0.00 H new ATOM 419 N MET A 26 -10.822 4.977 3.490 1.00 0.00 N ATOM 420 CA MET A 26 -11.245 4.038 4.532 1.00 0.00 C ATOM 421 C MET A 26 -12.316 4.657 5.430 1.00 0.00 C ATOM 422 O MET A 26 -12.173 5.791 5.890 1.00 0.00 O ATOM 423 CB MET A 26 -10.047 3.600 5.381 1.00 0.00 C ATOM 424 CG MET A 26 -9.265 2.441 4.781 1.00 0.00 C ATOM 425 SD MET A 26 -10.234 0.923 4.689 1.00 0.00 S ATOM 426 CE MET A 26 -9.016 -0.293 5.183 1.00 0.00 C ATOM 0 H MET A 26 -10.405 5.838 3.844 1.00 0.00 H new ATOM 0 HA MET A 26 -11.670 3.165 4.037 1.00 0.00 H new ATOM 0 HB2 MET A 26 -9.377 4.449 5.514 1.00 0.00 H new ATOM 0 HB3 MET A 26 -10.400 3.315 6.372 1.00 0.00 H new ATOM 0 HG2 MET A 26 -8.929 2.714 3.781 1.00 0.00 H new ATOM 0 HG3 MET A 26 -8.372 2.262 5.380 1.00 0.00 H new ATOM 0 HE1 MET A 26 -8.902 -1.036 4.393 1.00 0.00 H new ATOM 0 HE2 MET A 26 -8.060 0.200 5.358 1.00 0.00 H new ATOM 0 HE3 MET A 26 -9.344 -0.785 6.099 1.00 0.00 H new ATOM 436 N ASP A 27 -13.385 3.898 5.679 1.00 0.00 N ATOM 437 CA ASP A 27 -14.484 4.362 6.526 1.00 0.00 C ATOM 438 C ASP A 27 -14.334 3.840 7.959 1.00 0.00 C ATOM 439 O ASP A 27 -15.288 3.327 8.550 1.00 0.00 O ATOM 440 CB ASP A 27 -15.826 3.912 5.935 1.00 0.00 C ATOM 441 CG ASP A 27 -16.872 5.013 5.942 1.00 0.00 C ATOM 442 OD1 ASP A 27 -16.937 5.771 6.934 1.00 0.00 O ATOM 443 OD2 ASP A 27 -17.628 5.115 4.954 1.00 0.00 O ATOM 0 H ASP A 27 -13.512 2.958 5.305 1.00 0.00 H new ATOM 0 HA ASP A 27 -14.454 5.451 6.559 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -15.671 3.571 4.911 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -16.199 3.059 6.502 1.00 0.00 H new ATOM 448 N LYS A 28 -13.130 3.981 8.514 1.00 0.00 N ATOM 449 CA LYS A 28 -12.850 3.531 9.875 1.00 0.00 C ATOM 450 C LYS A 28 -12.723 4.725 10.827 1.00 0.00 C ATOM 451 O LYS A 28 -13.122 5.842 10.489 1.00 0.00 O ATOM 452 CB LYS A 28 -11.569 2.686 9.893 1.00 0.00 C ATOM 453 CG LYS A 28 -11.711 1.374 10.651 1.00 0.00 C ATOM 454 CD LYS A 28 -10.517 0.457 10.424 1.00 0.00 C ATOM 455 CE LYS A 28 -10.371 0.070 8.958 1.00 0.00 C ATOM 456 NZ LYS A 28 -9.403 0.946 8.238 1.00 0.00 N ATOM 0 H LYS A 28 -12.332 4.404 8.040 1.00 0.00 H new ATOM 0 HA LYS A 28 -13.682 2.916 10.218 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -11.271 2.472 8.867 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.766 3.270 10.343 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -11.814 1.579 11.717 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.623 0.868 10.334 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.608 0.955 10.761 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.630 -0.443 11.028 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.041 -0.967 8.889 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.344 0.128 8.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.916 1.553 7.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.895 1.540 8.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.721 0.357 7.719 1.00 0.00 H new ATOM 470 N GLU A 29 -12.164 4.483 12.017 1.00 0.00 N ATOM 471 CA GLU A 29 -11.978 5.534 13.019 1.00 0.00 C ATOM 472 C GLU A 29 -10.930 6.551 12.560 1.00 0.00 C ATOM 473 O GLU A 29 -10.481 6.517 11.413 1.00 0.00 O ATOM 474 CB GLU A 29 -11.558 4.916 14.361 1.00 0.00 C ATOM 475 CG GLU A 29 -10.191 4.242 14.324 1.00 0.00 C ATOM 476 CD GLU A 29 -10.071 3.088 15.302 1.00 0.00 C ATOM 477 OE1 GLU A 29 -10.488 3.248 16.468 1.00 0.00 O ATOM 478 OE2 GLU A 29 -9.555 2.023 14.901 1.00 0.00 O ATOM 0 H GLU A 29 -11.832 3.564 12.309 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.927 6.055 13.145 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.548 5.696 15.123 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.306 4.184 14.664 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.999 3.877 13.315 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.422 4.981 14.547 1.00 0.00 H new ATOM 485 N ASP A 30 -10.542 7.454 13.460 1.00 0.00 N ATOM 486 CA ASP A 30 -9.545 8.473 13.140 1.00 0.00 C ATOM 487 C ASP A 30 -8.130 7.890 13.147 1.00 0.00 C ATOM 488 O ASP A 30 -7.423 7.974 12.141 1.00 0.00 O ATOM 489 CB ASP A 30 -9.639 9.651 14.117 1.00 0.00 C ATOM 490 CG ASP A 30 -10.596 10.727 13.636 1.00 0.00 C ATOM 491 OD1 ASP A 30 -11.814 10.589 13.877 1.00 0.00 O ATOM 492 OD2 ASP A 30 -10.127 11.705 13.016 1.00 0.00 O ATOM 0 H ASP A 30 -10.902 7.500 14.413 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.756 8.835 12.134 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.966 9.287 15.091 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.649 10.085 14.255 1.00 0.00 H new ATOM 497 N PRO A 31 -7.686 7.294 14.276 1.00 0.00 N ATOM 498 CA PRO A 31 -6.341 6.711 14.379 1.00 0.00 C ATOM 499 C PRO A 31 -6.189 5.406 13.586 1.00 0.00 C ATOM 500 O PRO A 31 -5.902 4.350 14.154 1.00 0.00 O ATOM 501 CB PRO A 31 -6.183 6.461 15.880 1.00 0.00 C ATOM 502 CG PRO A 31 -7.573 6.256 16.375 1.00 0.00 C ATOM 503 CD PRO A 31 -8.447 7.148 15.537 1.00 0.00 C ATOM 0 HA PRO A 31 -5.581 7.369 13.958 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.561 5.587 16.073 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.707 7.307 16.375 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.872 5.213 16.277 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.653 6.512 17.431 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.427 6.703 15.365 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.615 8.112 16.018 1.00 0.00 H new ATOM 511 N VAL A 32 -6.372 5.491 12.267 1.00 0.00 N ATOM 512 CA VAL A 32 -6.245 4.325 11.391 1.00 0.00 C ATOM 513 C VAL A 32 -4.775 3.976 11.171 1.00 0.00 C ATOM 514 O VAL A 32 -3.986 4.824 10.755 1.00 0.00 O ATOM 515 CB VAL A 32 -6.911 4.566 10.019 1.00 0.00 C ATOM 516 CG1 VAL A 32 -6.881 3.297 9.181 1.00 0.00 C ATOM 517 CG2 VAL A 32 -8.340 5.060 10.191 1.00 0.00 C ATOM 0 H VAL A 32 -6.609 6.356 11.782 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.753 3.498 11.887 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.345 5.338 9.497 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.355 3.486 8.218 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.847 2.990 9.023 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.420 2.505 9.701 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.789 5.223 9.211 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.919 4.315 10.736 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.337 5.996 10.749 1.00 0.00 H new ATOM 527 N THR A 33 -4.411 2.724 11.450 1.00 0.00 N ATOM 528 CA THR A 33 -3.029 2.276 11.276 1.00 0.00 C ATOM 529 C THR A 33 -2.717 2.034 9.802 1.00 0.00 C ATOM 530 O THR A 33 -3.607 1.719 9.013 1.00 0.00 O ATOM 531 CB THR A 33 -2.758 1.005 12.089 1.00 0.00 C ATOM 532 OG1 THR A 33 -3.932 0.222 12.222 1.00 0.00 O ATOM 533 CG2 THR A 33 -2.235 1.290 13.481 1.00 0.00 C ATOM 0 H THR A 33 -5.049 2.007 11.795 1.00 0.00 H new ATOM 0 HA THR A 33 -2.375 3.067 11.644 1.00 0.00 H new ATOM 0 HB THR A 33 -1.993 0.466 11.529 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.731 -0.583 12.743 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.063 0.350 14.005 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.298 1.843 13.412 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.966 1.883 14.030 1.00 0.00 H new ATOM 541 N VAL A 34 -1.445 2.188 9.440 1.00 0.00 N ATOM 542 CA VAL A 34 -1.006 1.992 8.058 1.00 0.00 C ATOM 543 C VAL A 34 -1.343 0.589 7.548 1.00 0.00 C ATOM 544 O VAL A 34 -1.676 0.414 6.372 1.00 0.00 O ATOM 545 CB VAL A 34 0.504 2.255 7.906 1.00 0.00 C ATOM 546 CG1 VAL A 34 1.323 1.219 8.655 1.00 0.00 C ATOM 547 CG2 VAL A 34 0.901 2.307 6.437 1.00 0.00 C ATOM 0 H VAL A 34 -0.699 2.448 10.085 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.550 2.716 7.452 1.00 0.00 H new ATOM 0 HB VAL A 34 0.718 3.228 8.349 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.384 1.433 8.528 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.071 1.253 9.715 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.103 0.227 8.261 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.972 2.494 6.356 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.662 1.356 5.962 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.354 3.109 5.940 1.00 0.00 H new ATOM 557 N GLY A 35 -1.281 -0.403 8.441 1.00 0.00 N ATOM 558 CA GLY A 35 -1.608 -1.766 8.059 1.00 0.00 C ATOM 559 C GLY A 35 -3.015 -1.872 7.495 1.00 0.00 C ATOM 560 O GLY A 35 -3.294 -2.739 6.665 1.00 0.00 O ATOM 0 H GLY A 35 -1.011 -0.284 9.417 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.891 -2.117 7.317 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.514 -2.419 8.927 1.00 0.00 H new ATOM 564 N ASP A 36 -3.897 -0.968 7.936 1.00 0.00 N ATOM 565 CA ASP A 36 -5.280 -0.945 7.464 1.00 0.00 C ATOM 566 C ASP A 36 -5.340 -0.493 6.005 1.00 0.00 C ATOM 567 O ASP A 36 -6.091 -1.052 5.205 1.00 0.00 O ATOM 568 CB ASP A 36 -6.135 -0.024 8.349 1.00 0.00 C ATOM 569 CG ASP A 36 -7.074 -0.793 9.262 1.00 0.00 C ATOM 570 OD1 ASP A 36 -7.716 -1.754 8.787 1.00 0.00 O ATOM 571 OD2 ASP A 36 -7.168 -0.430 10.451 1.00 0.00 O ATOM 0 H ASP A 36 -3.675 -0.244 8.619 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.683 -1.956 7.528 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.479 0.603 8.954 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.718 0.644 7.715 1.00 0.00 H new ATOM 576 N LEU A 37 -4.529 0.511 5.663 1.00 0.00 N ATOM 577 CA LEU A 37 -4.469 1.027 4.295 1.00 0.00 C ATOM 578 C LEU A 37 -4.139 -0.102 3.323 1.00 0.00 C ATOM 579 O LEU A 37 -4.830 -0.290 2.320 1.00 0.00 O ATOM 580 CB LEU A 37 -3.414 2.139 4.191 1.00 0.00 C ATOM 581 CG LEU A 37 -3.617 3.154 3.057 1.00 0.00 C ATOM 582 CD1 LEU A 37 -3.633 2.463 1.700 1.00 0.00 C ATOM 583 CD2 LEU A 37 -4.897 3.952 3.270 1.00 0.00 C ATOM 0 H LEU A 37 -3.904 0.983 6.317 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.442 1.443 4.035 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.391 2.680 5.137 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.436 1.674 4.066 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.775 3.846 3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.778 3.205 0.915 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.685 1.949 1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.447 1.739 1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.021 4.665 2.455 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.750 3.273 3.291 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.837 4.489 4.216 1.00 0.00 H new ATOM 595 N ILE A 38 -3.086 -0.860 3.637 1.00 0.00 N ATOM 596 CA ILE A 38 -2.673 -1.982 2.795 1.00 0.00 C ATOM 597 C ILE A 38 -3.807 -2.999 2.660 1.00 0.00 C ATOM 598 O ILE A 38 -4.023 -3.558 1.584 1.00 0.00 O ATOM 599 CB ILE A 38 -1.414 -2.691 3.352 1.00 0.00 C ATOM 600 CG1 ILE A 38 -0.288 -1.679 3.600 1.00 0.00 C ATOM 601 CG2 ILE A 38 -0.948 -3.780 2.393 1.00 0.00 C ATOM 602 CD1 ILE A 38 0.974 -2.297 4.166 1.00 0.00 C ATOM 0 H ILE A 38 -2.507 -0.717 4.464 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.429 -1.571 1.815 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.675 -3.154 4.303 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.048 -1.179 2.662 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.646 -0.912 4.287 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.062 -4.268 2.800 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.742 -4.516 2.265 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.706 -3.336 1.428 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.724 -1.521 4.314 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.750 -2.772 5.121 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.357 -3.044 3.470 1.00 0.00 H new ATOM 614 N ASP A 39 -4.534 -3.224 3.758 1.00 0.00 N ATOM 615 CA ASP A 39 -5.654 -4.163 3.762 1.00 0.00 C ATOM 616 C ASP A 39 -6.698 -3.767 2.721 1.00 0.00 C ATOM 617 O ASP A 39 -7.227 -4.621 2.011 1.00 0.00 O ATOM 618 CB ASP A 39 -6.300 -4.225 5.150 1.00 0.00 C ATOM 619 CG ASP A 39 -5.825 -5.416 5.962 1.00 0.00 C ATOM 620 OD1 ASP A 39 -4.630 -5.449 6.325 1.00 0.00 O ATOM 621 OD2 ASP A 39 -6.649 -6.312 6.240 1.00 0.00 O ATOM 0 H ASP A 39 -4.365 -2.768 4.654 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.266 -5.149 3.509 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.075 -3.307 5.693 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.383 -4.273 5.041 1.00 0.00 H new ATOM 626 N HIS A 40 -6.988 -2.467 2.629 1.00 0.00 N ATOM 627 CA HIS A 40 -7.967 -1.970 1.663 1.00 0.00 C ATOM 628 C HIS A 40 -7.519 -2.266 0.233 1.00 0.00 C ATOM 629 O HIS A 40 -8.333 -2.629 -0.615 1.00 0.00 O ATOM 630 CB HIS A 40 -8.185 -0.465 1.836 1.00 0.00 C ATOM 631 CG HIS A 40 -9.570 -0.013 1.478 1.00 0.00 C ATOM 632 ND1 HIS A 40 -10.703 -0.729 1.797 1.00 0.00 N ATOM 633 CD2 HIS A 40 -10.002 1.100 0.838 1.00 0.00 C ATOM 634 CE1 HIS A 40 -11.770 -0.077 1.372 1.00 0.00 C ATOM 635 NE2 HIS A 40 -11.375 1.040 0.788 1.00 0.00 N ATOM 0 H HIS A 40 -6.561 -1.744 3.208 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.909 -2.486 1.850 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -7.980 -0.193 2.871 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -7.466 0.071 1.217 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -9.382 1.890 0.440 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -12.794 -0.403 1.483 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -11.986 1.741 0.370 1.00 0.00 H new ATOM 644 N ILE A 41 -6.218 -2.115 -0.022 1.00 0.00 N ATOM 645 CA ILE A 41 -5.660 -2.377 -1.346 1.00 0.00 C ATOM 646 C ILE A 41 -5.844 -3.846 -1.732 1.00 0.00 C ATOM 647 O ILE A 41 -6.012 -4.172 -2.905 1.00 0.00 O ATOM 648 CB ILE A 41 -4.157 -2.020 -1.416 1.00 0.00 C ATOM 649 CG1 ILE A 41 -3.917 -0.594 -0.910 1.00 0.00 C ATOM 650 CG2 ILE A 41 -3.637 -2.173 -2.840 1.00 0.00 C ATOM 651 CD1 ILE A 41 -2.459 -0.181 -0.923 1.00 0.00 C ATOM 0 H ILE A 41 -5.533 -1.813 0.671 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.201 -1.743 -2.048 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.611 -2.710 -0.772 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.488 0.101 -1.525 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.301 -0.509 0.107 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.578 -1.918 -2.870 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.771 -3.204 -3.167 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.190 -1.507 -3.503 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.367 0.840 -0.552 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.885 -0.853 -0.285 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.075 -0.233 -1.942 1.00 0.00 H new ATOM 663 N VAL A 42 -5.814 -4.728 -0.734 1.00 0.00 N ATOM 664 CA VAL A 42 -5.979 -6.162 -0.967 1.00 0.00 C ATOM 665 C VAL A 42 -7.430 -6.614 -0.739 1.00 0.00 C ATOM 666 O VAL A 42 -7.759 -7.783 -0.950 1.00 0.00 O ATOM 667 CB VAL A 42 -5.046 -6.985 -0.053 1.00 0.00 C ATOM 668 CG1 VAL A 42 -5.114 -8.465 -0.402 1.00 0.00 C ATOM 669 CG2 VAL A 42 -3.613 -6.477 -0.147 1.00 0.00 C ATOM 0 H VAL A 42 -5.677 -4.474 0.244 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.716 -6.340 -2.010 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.386 -6.862 0.975 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.448 -9.025 0.255 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.136 -8.823 -0.274 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.807 -8.609 -1.438 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.973 -7.071 0.505 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.263 -6.563 -1.176 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.576 -5.432 0.162 1.00 0.00 H new ATOM 679 N SER A 43 -8.294 -5.694 -0.302 1.00 0.00 N ATOM 680 CA SER A 43 -9.694 -6.021 -0.045 1.00 0.00 C ATOM 681 C SER A 43 -10.595 -5.580 -1.199 1.00 0.00 C ATOM 682 O SER A 43 -11.241 -6.409 -1.841 1.00 0.00 O ATOM 683 CB SER A 43 -10.162 -5.376 1.263 1.00 0.00 C ATOM 684 OG SER A 43 -11.504 -5.727 1.559 1.00 0.00 O ATOM 0 H SER A 43 -8.047 -4.721 -0.120 1.00 0.00 H new ATOM 0 HA SER A 43 -9.768 -7.105 0.044 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.513 -5.692 2.079 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.075 -4.292 1.188 1.00 0.00 H new ATOM 0 HG SER A 43 -11.775 -5.303 2.400 1.00 0.00 H new ATOM 690 N THR A 44 -10.644 -4.272 -1.450 1.00 0.00 N ATOM 691 CA THR A 44 -11.481 -3.726 -2.519 1.00 0.00 C ATOM 692 C THR A 44 -10.671 -3.466 -3.787 1.00 0.00 C ATOM 693 O THR A 44 -11.060 -3.888 -4.877 1.00 0.00 O ATOM 694 CB THR A 44 -12.163 -2.434 -2.058 1.00 0.00 C ATOM 695 OG1 THR A 44 -11.228 -1.558 -1.451 1.00 0.00 O ATOM 696 CG2 THR A 44 -13.282 -2.672 -1.065 1.00 0.00 C ATOM 0 H THR A 44 -10.116 -3.572 -0.929 1.00 0.00 H new ATOM 0 HA THR A 44 -12.244 -4.469 -2.752 1.00 0.00 H new ATOM 0 HB THR A 44 -12.585 -1.993 -2.961 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.644 -0.682 -1.310 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.723 -1.717 -0.779 1.00 0.00 H new ATOM 0 HG22 THR A 44 -14.045 -3.302 -1.521 1.00 0.00 H new ATOM 0 HG23 THR A 44 -12.884 -3.168 -0.180 1.00 0.00 H new ATOM 704 N MET A 45 -9.544 -2.770 -3.639 1.00 0.00 N ATOM 705 CA MET A 45 -8.676 -2.453 -4.774 1.00 0.00 C ATOM 706 C MET A 45 -8.255 -3.724 -5.521 1.00 0.00 C ATOM 707 O MET A 45 -8.168 -3.729 -6.750 1.00 0.00 O ATOM 708 CB MET A 45 -7.441 -1.683 -4.294 1.00 0.00 C ATOM 709 CG MET A 45 -6.782 -0.840 -5.375 1.00 0.00 C ATOM 710 SD MET A 45 -6.720 0.912 -4.948 1.00 0.00 S ATOM 711 CE MET A 45 -4.958 1.228 -5.047 1.00 0.00 C ATOM 0 H MET A 45 -9.210 -2.414 -2.743 1.00 0.00 H new ATOM 0 HA MET A 45 -9.238 -1.827 -5.467 1.00 0.00 H new ATOM 0 HB2 MET A 45 -7.728 -1.035 -3.466 1.00 0.00 H new ATOM 0 HB3 MET A 45 -6.711 -2.393 -3.905 1.00 0.00 H new ATOM 0 HG2 MET A 45 -5.769 -1.204 -5.547 1.00 0.00 H new ATOM 0 HG3 MET A 45 -7.328 -0.963 -6.310 1.00 0.00 H new ATOM 0 HE1 MET A 45 -4.770 2.291 -4.896 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.442 0.655 -4.277 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.590 0.930 -6.029 1.00 0.00 H new ATOM 721 N ILE A 46 -7.999 -4.801 -4.771 1.00 0.00 N ATOM 722 CA ILE A 46 -7.594 -6.076 -5.361 1.00 0.00 C ATOM 723 C ILE A 46 -8.334 -7.241 -4.707 1.00 0.00 C ATOM 724 O ILE A 46 -8.607 -7.214 -3.506 1.00 0.00 O ATOM 725 CB ILE A 46 -6.075 -6.318 -5.215 1.00 0.00 C ATOM 726 CG1 ILE A 46 -5.276 -5.091 -5.658 1.00 0.00 C ATOM 727 CG2 ILE A 46 -5.653 -7.540 -6.019 1.00 0.00 C ATOM 728 CD1 ILE A 46 -3.836 -5.117 -5.197 1.00 0.00 C ATOM 0 H ILE A 46 -8.066 -4.813 -3.753 1.00 0.00 H new ATOM 0 HA ILE A 46 -7.847 -6.022 -6.420 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.863 -6.498 -4.161 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.301 -5.023 -6.746 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.758 -4.193 -5.271 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.580 -7.697 -5.906 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.189 -8.417 -5.656 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.888 -7.382 -7.072 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.326 -4.218 -5.545 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.803 -5.154 -4.108 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.339 -5.997 -5.605 1.00 0.00 H new ATOM 740 N ASN A 47 -8.644 -8.267 -5.502 1.00 0.00 N ATOM 741 CA ASN A 47 -9.340 -9.451 -4.999 1.00 0.00 C ATOM 742 C ASN A 47 -9.377 -10.554 -6.058 1.00 0.00 C ATOM 743 O ASN A 47 -10.423 -10.825 -6.652 1.00 0.00 O ATOM 744 CB ASN A 47 -10.766 -9.092 -4.558 1.00 0.00 C ATOM 745 CG ASN A 47 -11.355 -10.111 -3.597 1.00 0.00 C ATOM 746 OD1 ASN A 47 -10.669 -11.030 -3.147 1.00 0.00 O ATOM 747 ND2 ASN A 47 -12.634 -9.953 -3.277 1.00 0.00 N ATOM 0 H ASN A 47 -8.424 -8.301 -6.497 1.00 0.00 H new ATOM 0 HA ASN A 47 -8.789 -9.823 -4.135 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.759 -8.111 -4.082 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.406 -9.015 -5.437 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -13.084 -10.607 -2.636 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -13.167 -9.178 -3.672 1.00 0.00 H new ATOM 754 N ASN A 48 -8.227 -11.186 -6.295 1.00 0.00 N ATOM 755 CA ASN A 48 -8.131 -12.256 -7.286 1.00 0.00 C ATOM 756 C ASN A 48 -6.835 -13.044 -7.119 1.00 0.00 C ATOM 757 O ASN A 48 -5.751 -12.458 -7.107 1.00 0.00 O ATOM 758 CB ASN A 48 -8.199 -11.675 -8.701 1.00 0.00 C ATOM 759 CG ASN A 48 -9.139 -12.455 -9.600 1.00 0.00 C ATOM 760 OD1 ASN A 48 -10.359 -12.326 -9.502 1.00 0.00 O ATOM 761 ND2 ASN A 48 -8.575 -13.273 -10.483 1.00 0.00 N ATOM 0 H ASN A 48 -7.352 -10.976 -5.815 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.971 -12.933 -7.131 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -8.527 -10.637 -8.650 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.201 -11.672 -9.138 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.158 -13.824 -11.113 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -7.559 -13.350 -10.531 1.00 0.00 H new ATOM 768 N PRO A 49 -6.927 -14.387 -6.985 1.00 0.00 N ATOM 769 CA PRO A 49 -5.751 -15.256 -6.817 1.00 0.00 C ATOM 770 C PRO A 49 -4.827 -15.233 -8.038 1.00 0.00 C ATOM 771 O PRO A 49 -4.821 -16.162 -8.848 1.00 0.00 O ATOM 772 CB PRO A 49 -6.352 -16.657 -6.623 1.00 0.00 C ATOM 773 CG PRO A 49 -7.779 -16.424 -6.261 1.00 0.00 C ATOM 774 CD PRO A 49 -8.179 -15.166 -6.976 1.00 0.00 C ATOM 0 HA PRO A 49 -5.128 -14.931 -5.984 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.269 -17.251 -7.533 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.831 -17.204 -5.837 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -8.403 -17.264 -6.567 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.897 -16.316 -5.183 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -8.536 -15.370 -7.985 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.979 -14.641 -6.455 1.00 0.00 H new ATOM 782 N ASN A 50 -4.051 -14.158 -8.155 1.00 0.00 N ATOM 783 CA ASN A 50 -3.115 -13.987 -9.263 1.00 0.00 C ATOM 784 C ASN A 50 -2.268 -12.732 -9.056 1.00 0.00 C ATOM 785 O ASN A 50 -1.038 -12.798 -9.061 1.00 0.00 O ATOM 786 CB ASN A 50 -3.858 -13.903 -10.603 1.00 0.00 C ATOM 787 CG ASN A 50 -3.148 -14.673 -11.702 1.00 0.00 C ATOM 788 OD1 ASN A 50 -3.689 -15.630 -12.255 1.00 0.00 O ATOM 789 ND2 ASN A 50 -1.925 -14.261 -12.024 1.00 0.00 N ATOM 0 H ASN A 50 -4.053 -13.386 -7.489 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.460 -14.858 -9.287 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -4.868 -14.295 -10.482 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.955 -12.858 -10.898 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -1.400 -14.743 -12.754 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.512 -13.463 -11.541 1.00 0.00 H new ATOM 796 N ASP A 51 -2.938 -11.593 -8.863 1.00 0.00 N ATOM 797 CA ASP A 51 -2.256 -10.323 -8.644 1.00 0.00 C ATOM 798 C ASP A 51 -1.761 -10.233 -7.205 1.00 0.00 C ATOM 799 O ASP A 51 -0.640 -9.791 -6.949 1.00 0.00 O ATOM 800 CB ASP A 51 -3.191 -9.144 -8.957 1.00 0.00 C ATOM 801 CG ASP A 51 -4.174 -9.442 -10.079 1.00 0.00 C ATOM 802 OD1 ASP A 51 -3.748 -9.998 -11.112 1.00 0.00 O ATOM 803 OD2 ASP A 51 -5.370 -9.127 -9.918 1.00 0.00 O ATOM 0 H ASP A 51 -3.956 -11.529 -8.855 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.400 -10.272 -9.317 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.746 -8.880 -8.057 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.592 -8.275 -9.229 1.00 0.00 H new ATOM 808 N VAL A 52 -2.606 -10.668 -6.268 1.00 0.00 N ATOM 809 CA VAL A 52 -2.262 -10.650 -4.859 1.00 0.00 C ATOM 810 C VAL A 52 -1.367 -11.829 -4.496 1.00 0.00 C ATOM 811 O VAL A 52 -0.470 -11.692 -3.672 1.00 0.00 O ATOM 812 CB VAL A 52 -3.505 -10.673 -3.948 1.00 0.00 C ATOM 813 CG1 VAL A 52 -3.334 -9.662 -2.838 1.00 0.00 C ATOM 814 CG2 VAL A 52 -4.789 -10.404 -4.721 1.00 0.00 C ATOM 0 H VAL A 52 -3.535 -11.037 -6.469 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.729 -9.714 -4.693 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.594 -11.673 -3.525 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.213 -9.678 -2.193 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.449 -9.911 -2.252 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.216 -8.667 -3.267 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.638 -10.430 -4.037 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.732 -9.422 -5.191 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.918 -11.167 -5.489 1.00 0.00 H new ATOM 824 N SER A 53 -1.611 -12.986 -5.117 1.00 0.00 N ATOM 825 CA SER A 53 -0.809 -14.184 -4.853 1.00 0.00 C ATOM 826 C SER A 53 0.689 -13.895 -4.996 1.00 0.00 C ATOM 827 O SER A 53 1.512 -14.509 -4.315 1.00 0.00 O ATOM 828 CB SER A 53 -1.211 -15.321 -5.798 1.00 0.00 C ATOM 829 OG SER A 53 -0.851 -16.582 -5.260 1.00 0.00 O ATOM 0 H SER A 53 -2.354 -13.119 -5.803 1.00 0.00 H new ATOM 0 HA SER A 53 -1.003 -14.489 -3.825 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.286 -15.290 -5.973 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.727 -15.183 -6.765 1.00 0.00 H new ATOM 0 HG SER A 53 -1.119 -17.291 -5.881 1.00 0.00 H new ATOM 835 N ILE A 54 1.039 -12.960 -5.884 1.00 0.00 N ATOM 836 CA ILE A 54 2.439 -12.603 -6.106 1.00 0.00 C ATOM 837 C ILE A 54 2.866 -11.398 -5.254 1.00 0.00 C ATOM 838 O ILE A 54 4.030 -11.293 -4.866 1.00 0.00 O ATOM 839 CB ILE A 54 2.715 -12.296 -7.595 1.00 0.00 C ATOM 840 CG1 ILE A 54 2.122 -13.388 -8.494 1.00 0.00 C ATOM 841 CG2 ILE A 54 4.213 -12.167 -7.841 1.00 0.00 C ATOM 842 CD1 ILE A 54 2.053 -13.000 -9.956 1.00 0.00 C ATOM 0 H ILE A 54 0.374 -12.440 -6.457 1.00 0.00 H new ATOM 0 HA ILE A 54 3.027 -13.470 -5.804 1.00 0.00 H new ATOM 0 HB ILE A 54 2.236 -11.349 -7.843 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.721 -14.293 -8.395 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.119 -13.630 -8.143 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.391 -11.951 -8.894 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.613 -11.357 -7.231 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.707 -13.101 -7.574 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.623 -13.821 -10.530 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.429 -12.113 -10.068 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.057 -12.787 -10.324 1.00 0.00 H new ATOM 854 N PHE A 55 1.928 -10.491 -4.970 1.00 0.00 N ATOM 855 CA PHE A 55 2.226 -9.298 -4.169 1.00 0.00 C ATOM 856 C PHE A 55 2.111 -9.589 -2.670 1.00 0.00 C ATOM 857 O PHE A 55 3.035 -9.308 -1.903 1.00 0.00 O ATOM 858 CB PHE A 55 1.282 -8.153 -4.563 1.00 0.00 C ATOM 859 CG PHE A 55 1.540 -6.861 -3.831 1.00 0.00 C ATOM 860 CD1 PHE A 55 2.759 -6.209 -3.947 1.00 0.00 C ATOM 861 CD2 PHE A 55 0.558 -6.296 -3.032 1.00 0.00 C ATOM 862 CE1 PHE A 55 2.992 -5.022 -3.279 1.00 0.00 C ATOM 863 CE2 PHE A 55 0.787 -5.109 -2.362 1.00 0.00 C ATOM 864 CZ PHE A 55 2.005 -4.471 -2.486 1.00 0.00 C ATOM 0 H PHE A 55 0.959 -10.558 -5.281 1.00 0.00 H new ATOM 0 HA PHE A 55 3.255 -9.002 -4.372 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.372 -7.975 -5.635 1.00 0.00 H new ATOM 0 HB3 PHE A 55 0.254 -8.464 -4.377 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.535 -6.634 -4.567 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.398 -6.789 -2.932 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.946 -4.525 -3.377 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.013 -4.681 -1.742 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.185 -3.543 -1.964 1.00 0.00 H new ATOM 874 N ILE A 56 0.973 -10.153 -2.262 1.00 0.00 N ATOM 875 CA ILE A 56 0.727 -10.486 -0.858 1.00 0.00 C ATOM 876 C ILE A 56 0.879 -11.992 -0.611 1.00 0.00 C ATOM 877 O ILE A 56 0.558 -12.810 -1.474 1.00 0.00 O ATOM 878 CB ILE A 56 -0.686 -10.038 -0.415 1.00 0.00 C ATOM 879 CG1 ILE A 56 -0.902 -8.551 -0.721 1.00 0.00 C ATOM 880 CG2 ILE A 56 -0.896 -10.313 1.070 1.00 0.00 C ATOM 881 CD1 ILE A 56 0.071 -7.628 -0.013 1.00 0.00 C ATOM 0 H ILE A 56 0.203 -10.390 -2.888 1.00 0.00 H new ATOM 0 HA ILE A 56 1.471 -9.951 -0.269 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.419 -10.615 -0.979 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.817 -8.396 -1.797 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.918 -8.276 -0.439 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.896 -9.991 1.362 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.789 -11.381 1.261 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.154 -9.764 1.650 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.147 -6.594 -0.281 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.029 -7.752 1.065 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.090 -7.873 -0.314 1.00 0.00 H new ATOM 893 N GLU A 57 1.374 -12.344 0.575 1.00 0.00 N ATOM 894 CA GLU A 57 1.577 -13.742 0.950 1.00 0.00 C ATOM 895 C GLU A 57 0.728 -14.110 2.172 1.00 0.00 C ATOM 896 O GLU A 57 1.258 -14.474 3.226 1.00 0.00 O ATOM 897 CB GLU A 57 3.062 -13.993 1.234 1.00 0.00 C ATOM 898 CG GLU A 57 3.482 -15.447 1.071 1.00 0.00 C ATOM 899 CD GLU A 57 4.965 -15.663 1.312 1.00 0.00 C ATOM 900 OE1 GLU A 57 5.783 -14.982 0.654 1.00 0.00 O ATOM 901 OE2 GLU A 57 5.309 -16.516 2.159 1.00 0.00 O ATOM 0 H GLU A 57 1.643 -11.675 1.296 1.00 0.00 H new ATOM 0 HA GLU A 57 1.261 -14.374 0.120 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.660 -13.375 0.564 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.287 -13.671 2.251 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.912 -16.065 1.765 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.230 -15.782 0.065 1.00 0.00 H new ATOM 908 N ASP A 58 -0.595 -14.008 2.016 1.00 0.00 N ATOM 909 CA ASP A 58 -1.541 -14.320 3.088 1.00 0.00 C ATOM 910 C ASP A 58 -1.278 -13.460 4.327 1.00 0.00 C ATOM 911 O ASP A 58 -0.582 -13.878 5.256 1.00 0.00 O ATOM 912 CB ASP A 58 -1.491 -15.812 3.442 1.00 0.00 C ATOM 913 CG ASP A 58 -2.810 -16.315 3.998 1.00 0.00 C ATOM 914 OD1 ASP A 58 -3.758 -16.498 3.205 1.00 0.00 O ATOM 915 OD2 ASP A 58 -2.897 -16.524 5.227 1.00 0.00 O ATOM 0 H ASP A 58 -1.037 -13.708 1.147 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.543 -14.087 2.726 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.231 -16.386 2.552 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.701 -15.984 4.174 1.00 0.00 H new ATOM 920 N ASP A 59 -1.847 -12.252 4.322 1.00 0.00 N ATOM 921 CA ASP A 59 -1.696 -11.302 5.428 1.00 0.00 C ATOM 922 C ASP A 59 -0.223 -10.970 5.691 1.00 0.00 C ATOM 923 O ASP A 59 0.197 -10.823 6.842 1.00 0.00 O ATOM 924 CB ASP A 59 -2.357 -11.853 6.698 1.00 0.00 C ATOM 925 CG ASP A 59 -3.872 -11.833 6.617 1.00 0.00 C ATOM 926 OD1 ASP A 59 -4.450 -12.786 6.051 1.00 0.00 O ATOM 927 OD2 ASP A 59 -4.483 -10.864 7.117 1.00 0.00 O ATOM 0 H ASP A 59 -2.423 -11.906 3.555 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.196 -10.377 5.141 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.018 -12.875 6.866 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.034 -11.265 7.557 1.00 0.00 H new ATOM 932 N SER A 60 0.556 -10.844 4.615 1.00 0.00 N ATOM 933 CA SER A 60 1.980 -10.522 4.721 1.00 0.00 C ATOM 934 C SER A 60 2.562 -10.201 3.346 1.00 0.00 C ATOM 935 O SER A 60 2.551 -11.046 2.452 1.00 0.00 O ATOM 936 CB SER A 60 2.746 -11.689 5.351 1.00 0.00 C ATOM 937 OG SER A 60 4.104 -11.351 5.572 1.00 0.00 O ATOM 0 H SER A 60 0.223 -10.960 3.658 1.00 0.00 H new ATOM 0 HA SER A 60 2.084 -9.645 5.359 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.279 -11.966 6.296 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.687 -12.560 4.699 1.00 0.00 H new ATOM 0 HG SER A 60 4.569 -12.113 5.976 1.00 0.00 H new ATOM 943 N ILE A 61 3.071 -8.979 3.179 1.00 0.00 N ATOM 944 CA ILE A 61 3.654 -8.560 1.903 1.00 0.00 C ATOM 945 C ILE A 61 4.888 -9.392 1.556 1.00 0.00 C ATOM 946 O ILE A 61 5.581 -9.894 2.443 1.00 0.00 O ATOM 947 CB ILE A 61 4.035 -7.062 1.911 1.00 0.00 C ATOM 948 CG1 ILE A 61 2.851 -6.208 2.371 1.00 0.00 C ATOM 949 CG2 ILE A 61 4.488 -6.620 0.527 1.00 0.00 C ATOM 950 CD1 ILE A 61 3.116 -5.423 3.639 1.00 0.00 C ATOM 0 H ILE A 61 3.092 -8.265 3.907 1.00 0.00 H new ATOM 0 HA ILE A 61 2.888 -8.722 1.144 1.00 0.00 H new ATOM 0 HB ILE A 61 4.859 -6.924 2.611 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.586 -5.513 1.574 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.989 -6.856 2.530 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.752 -5.563 0.551 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.357 -7.205 0.225 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.680 -6.776 -0.187 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.230 -4.843 3.900 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.351 -6.111 4.451 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.957 -4.748 3.480 1.00 0.00 H new ATOM 962 N ARG A 62 5.154 -9.533 0.258 1.00 0.00 N ATOM 963 CA ARG A 62 6.304 -10.306 -0.213 1.00 0.00 C ATOM 964 C ARG A 62 7.607 -9.522 -0.038 1.00 0.00 C ATOM 965 O ARG A 62 7.621 -8.293 -0.137 1.00 0.00 O ATOM 966 CB ARG A 62 6.126 -10.697 -1.684 1.00 0.00 C ATOM 967 CG ARG A 62 5.134 -11.831 -1.900 1.00 0.00 C ATOM 968 CD ARG A 62 5.623 -12.813 -2.956 1.00 0.00 C ATOM 969 NE ARG A 62 6.409 -13.904 -2.376 1.00 0.00 N ATOM 970 CZ ARG A 62 6.720 -15.031 -3.024 1.00 0.00 C ATOM 971 NH1 ARG A 62 6.309 -15.225 -4.276 1.00 0.00 N ATOM 972 NH2 ARG A 62 7.442 -15.967 -2.421 1.00 0.00 N ATOM 0 H ARG A 62 4.590 -9.123 -0.486 1.00 0.00 H new ATOM 0 HA ARG A 62 6.362 -11.211 0.391 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.794 -9.824 -2.245 1.00 0.00 H new ATOM 0 HB3 ARG A 62 7.093 -10.989 -2.093 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.973 -12.358 -0.960 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.171 -11.420 -2.203 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.767 -13.228 -3.488 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.228 -12.282 -3.691 1.00 0.00 H new ATOM 0 HE ARG A 62 6.740 -13.797 -1.417 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.753 -14.511 -4.747 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.550 -16.088 -4.764 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.760 -15.827 -1.462 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.679 -16.827 -2.916 1.00 0.00 H new ATOM 986 N PRO A 63 8.723 -10.232 0.225 1.00 0.00 N ATOM 987 CA PRO A 63 10.038 -9.605 0.416 1.00 0.00 C ATOM 988 C PRO A 63 10.610 -9.035 -0.881 1.00 0.00 C ATOM 989 O PRO A 63 10.685 -9.733 -1.895 1.00 0.00 O ATOM 990 CB PRO A 63 10.912 -10.754 0.922 1.00 0.00 C ATOM 991 CG PRO A 63 10.262 -11.989 0.400 1.00 0.00 C ATOM 992 CD PRO A 63 8.787 -11.701 0.360 1.00 0.00 C ATOM 0 HA PRO A 63 9.985 -8.757 1.099 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.935 -10.662 0.558 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.961 -10.763 2.011 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.637 -12.237 -0.593 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.475 -12.843 1.043 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.303 -12.202 -0.479 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.287 -12.042 1.267 1.00 0.00 H new ATOM 1000 N GLY A 64 11.012 -7.765 -0.840 1.00 0.00 N ATOM 1001 CA GLY A 64 11.572 -7.120 -2.017 1.00 0.00 C ATOM 1002 C GLY A 64 10.813 -5.868 -2.424 1.00 0.00 C ATOM 1003 O GLY A 64 11.378 -4.972 -3.054 1.00 0.00 O ATOM 0 H GLY A 64 10.960 -7.172 -0.012 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.613 -6.860 -1.822 1.00 0.00 H new ATOM 0 HA3 GLY A 64 11.570 -7.826 -2.847 1.00 0.00 H new ATOM 1007 N ILE A 65 9.530 -5.807 -2.066 1.00 0.00 N ATOM 1008 CA ILE A 65 8.692 -4.659 -2.398 1.00 0.00 C ATOM 1009 C ILE A 65 9.057 -3.450 -1.542 1.00 0.00 C ATOM 1010 O ILE A 65 9.155 -3.548 -0.318 1.00 0.00 O ATOM 1011 CB ILE A 65 7.192 -4.980 -2.214 1.00 0.00 C ATOM 1012 CG1 ILE A 65 6.822 -6.270 -2.954 1.00 0.00 C ATOM 1013 CG2 ILE A 65 6.332 -3.819 -2.700 1.00 0.00 C ATOM 1014 CD1 ILE A 65 5.574 -6.938 -2.420 1.00 0.00 C ATOM 0 H ILE A 65 9.050 -6.541 -1.546 1.00 0.00 H new ATOM 0 HA ILE A 65 8.874 -4.426 -3.447 1.00 0.00 H new ATOM 0 HB ILE A 65 7.001 -5.127 -1.151 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.679 -6.045 -4.011 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.655 -6.969 -2.887 1.00 0.00 H new ATOM 0 HG21 ILE A 65 5.279 -4.064 -2.562 1.00 0.00 H new ATOM 0 HG22 ILE A 65 6.574 -2.923 -2.129 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.527 -3.639 -3.757 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.373 -7.844 -2.991 1.00 0.00 H new ATOM 0 HD12 ILE A 65 5.720 -7.195 -1.371 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.729 -6.256 -2.512 1.00 0.00 H new ATOM 1026 N ILE A 66 9.258 -2.312 -2.203 1.00 0.00 N ATOM 1027 CA ILE A 66 9.616 -1.074 -1.520 1.00 0.00 C ATOM 1028 C ILE A 66 8.376 -0.229 -1.228 1.00 0.00 C ATOM 1029 O ILE A 66 7.642 0.148 -2.144 1.00 0.00 O ATOM 1030 CB ILE A 66 10.608 -0.245 -2.364 1.00 0.00 C ATOM 1031 CG1 ILE A 66 11.910 -1.021 -2.581 1.00 0.00 C ATOM 1032 CG2 ILE A 66 10.894 1.096 -1.698 1.00 0.00 C ATOM 1033 CD1 ILE A 66 12.876 -0.326 -3.517 1.00 0.00 C ATOM 0 H ILE A 66 9.178 -2.223 -3.216 1.00 0.00 H new ATOM 0 HA ILE A 66 10.090 -1.350 -0.578 1.00 0.00 H new ATOM 0 HB ILE A 66 10.152 -0.056 -3.336 1.00 0.00 H new ATOM 0 HG12 ILE A 66 12.397 -1.176 -1.618 1.00 0.00 H new ATOM 0 HG13 ILE A 66 11.674 -2.007 -2.981 1.00 0.00 H new ATOM 0 HG21 ILE A 66 11.595 1.664 -2.310 1.00 0.00 H new ATOM 0 HG22 ILE A 66 9.965 1.657 -1.596 1.00 0.00 H new ATOM 0 HG23 ILE A 66 11.327 0.928 -0.712 1.00 0.00 H new ATOM 0 HD11 ILE A 66 13.776 -0.931 -3.625 1.00 0.00 H new ATOM 0 HD12 ILE A 66 12.407 -0.195 -4.492 1.00 0.00 H new ATOM 0 HD13 ILE A 66 13.141 0.649 -3.108 1.00 0.00 H new ATOM 1045 N THR A 67 8.155 0.071 0.053 1.00 0.00 N ATOM 1046 CA THR A 67 7.010 0.877 0.470 1.00 0.00 C ATOM 1047 C THR A 67 7.464 2.077 1.304 1.00 0.00 C ATOM 1048 O THR A 67 7.938 1.916 2.430 1.00 0.00 O ATOM 1049 CB THR A 67 6.023 0.020 1.270 1.00 0.00 C ATOM 1050 OG1 THR A 67 5.591 -1.093 0.505 1.00 0.00 O ATOM 1051 CG2 THR A 67 4.790 0.780 1.713 1.00 0.00 C ATOM 0 H THR A 67 8.756 -0.233 0.819 1.00 0.00 H new ATOM 0 HA THR A 67 6.511 1.251 -0.424 1.00 0.00 H new ATOM 0 HB THR A 67 6.571 -0.298 2.157 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.753 -0.871 0.048 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.134 0.114 2.274 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.086 1.616 2.347 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.261 1.157 0.838 1.00 0.00 H new ATOM 1059 N LEU A 68 7.320 3.277 0.740 1.00 0.00 N ATOM 1060 CA LEU A 68 7.719 4.504 1.429 1.00 0.00 C ATOM 1061 C LEU A 68 6.502 5.312 1.877 1.00 0.00 C ATOM 1062 O LEU A 68 5.510 5.411 1.155 1.00 0.00 O ATOM 1063 CB LEU A 68 8.601 5.364 0.520 1.00 0.00 C ATOM 1064 CG LEU A 68 9.826 4.658 -0.071 1.00 0.00 C ATOM 1065 CD1 LEU A 68 10.689 5.652 -0.833 1.00 0.00 C ATOM 1066 CD2 LEU A 68 10.635 3.970 1.023 1.00 0.00 C ATOM 0 H LEU A 68 6.930 3.425 -0.191 1.00 0.00 H new ATOM 0 HA LEU A 68 8.285 4.215 2.315 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.989 5.740 -0.300 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.941 6.230 1.087 1.00 0.00 H new ATOM 0 HG LEU A 68 9.481 3.893 -0.766 1.00 0.00 H new ATOM 0 HD11 LEU A 68 11.556 5.138 -1.248 1.00 0.00 H new ATOM 0 HD12 LEU A 68 10.107 6.093 -1.642 1.00 0.00 H new ATOM 0 HD13 LEU A 68 11.023 6.438 -0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 68 11.499 3.476 0.580 1.00 0.00 H new ATOM 0 HD22 LEU A 68 10.973 4.712 1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 68 10.012 3.230 1.525 1.00 0.00 H new ATOM 1078 N ILE A 69 6.594 5.892 3.075 1.00 0.00 N ATOM 1079 CA ILE A 69 5.510 6.699 3.630 1.00 0.00 C ATOM 1080 C ILE A 69 5.976 8.133 3.877 1.00 0.00 C ATOM 1081 O ILE A 69 6.805 8.381 4.756 1.00 0.00 O ATOM 1082 CB ILE A 69 4.981 6.102 4.954 1.00 0.00 C ATOM 1083 CG1 ILE A 69 4.622 4.623 4.773 1.00 0.00 C ATOM 1084 CG2 ILE A 69 3.774 6.887 5.454 1.00 0.00 C ATOM 1085 CD1 ILE A 69 4.630 3.836 6.066 1.00 0.00 C ATOM 0 H ILE A 69 7.412 5.816 3.680 1.00 0.00 H new ATOM 0 HA ILE A 69 4.702 6.699 2.898 1.00 0.00 H new ATOM 0 HB ILE A 69 5.771 6.176 5.701 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.634 4.550 4.319 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.327 4.169 4.076 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.417 6.450 6.387 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.060 7.925 5.625 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.980 6.848 4.708 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.367 2.798 5.862 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.624 3.878 6.511 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.905 4.265 6.757 1.00 0.00 H new ATOM 1097 N ASN A 70 5.438 9.071 3.094 1.00 0.00 N ATOM 1098 CA ASN A 70 5.792 10.487 3.216 1.00 0.00 C ATOM 1099 C ASN A 70 7.286 10.705 2.959 1.00 0.00 C ATOM 1100 O ASN A 70 7.963 11.401 3.720 1.00 0.00 O ATOM 1101 CB ASN A 70 5.407 11.014 4.604 1.00 0.00 C ATOM 1102 CG ASN A 70 4.727 12.370 4.545 1.00 0.00 C ATOM 1103 OD1 ASN A 70 5.082 13.221 3.729 1.00 0.00 O ATOM 1104 ND2 ASN A 70 3.741 12.578 5.410 1.00 0.00 N ATOM 0 H ASN A 70 4.752 8.874 2.365 1.00 0.00 H new ATOM 0 HA ASN A 70 5.235 11.042 2.461 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.742 10.299 5.089 1.00 0.00 H new ATOM 0 HB3 ASN A 70 6.302 11.087 5.222 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.246 13.470 5.415 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.478 11.846 6.070 1.00 0.00 H new ATOM 1111 N ASP A 71 7.793 10.100 1.882 1.00 0.00 N ATOM 1112 CA ASP A 71 9.204 10.214 1.513 1.00 0.00 C ATOM 1113 C ASP A 71 10.114 9.637 2.604 1.00 0.00 C ATOM 1114 O ASP A 71 11.228 10.119 2.820 1.00 0.00 O ATOM 1115 CB ASP A 71 9.567 11.678 1.228 1.00 0.00 C ATOM 1116 CG ASP A 71 10.399 11.832 -0.032 1.00 0.00 C ATOM 1117 OD1 ASP A 71 9.918 11.429 -1.113 1.00 0.00 O ATOM 1118 OD2 ASP A 71 11.531 12.352 0.061 1.00 0.00 O ATOM 0 H ASP A 71 7.242 9.523 1.247 1.00 0.00 H new ATOM 0 HA ASP A 71 9.361 9.631 0.605 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.653 12.264 1.131 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.118 12.085 2.076 1.00 0.00 H new ATOM 1123 N THR A 72 9.634 8.592 3.283 1.00 0.00 N ATOM 1124 CA THR A 72 10.399 7.938 4.342 1.00 0.00 C ATOM 1125 C THR A 72 10.196 6.424 4.288 1.00 0.00 C ATOM 1126 O THR A 72 9.444 5.922 3.453 1.00 0.00 O ATOM 1127 CB THR A 72 9.986 8.472 5.723 1.00 0.00 C ATOM 1128 OG1 THR A 72 9.402 9.761 5.625 1.00 0.00 O ATOM 1129 CG2 THR A 72 11.141 8.569 6.696 1.00 0.00 C ATOM 0 H THR A 72 8.716 8.181 3.116 1.00 0.00 H new ATOM 0 HA THR A 72 11.454 8.161 4.184 1.00 0.00 H new ATOM 0 HB THR A 72 9.266 7.746 6.100 1.00 0.00 H new ATOM 0 HG1 THR A 72 8.465 9.676 5.352 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.781 8.953 7.651 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.577 7.581 6.843 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.898 9.244 6.296 1.00 0.00 H new ATOM 1137 N ASP A 73 10.866 5.699 5.184 1.00 0.00 N ATOM 1138 CA ASP A 73 10.750 4.242 5.232 1.00 0.00 C ATOM 1139 C ASP A 73 9.476 3.809 5.960 1.00 0.00 C ATOM 1140 O ASP A 73 8.680 4.644 6.398 1.00 0.00 O ATOM 1141 CB ASP A 73 11.973 3.631 5.923 1.00 0.00 C ATOM 1142 CG ASP A 73 12.953 3.024 4.939 1.00 0.00 C ATOM 1143 OD1 ASP A 73 13.636 3.793 4.229 1.00 0.00 O ATOM 1144 OD2 ASP A 73 13.037 1.779 4.876 1.00 0.00 O ATOM 0 H ASP A 73 11.493 6.096 5.884 1.00 0.00 H new ATOM 0 HA ASP A 73 10.698 3.881 4.205 1.00 0.00 H new ATOM 0 HB2 ASP A 73 12.479 4.400 6.507 1.00 0.00 H new ATOM 0 HB3 ASP A 73 11.645 2.864 6.624 1.00 0.00 H new ATOM 1149 N TRP A 74 9.293 2.493 6.087 1.00 0.00 N ATOM 1150 CA TRP A 74 8.122 1.939 6.764 1.00 0.00 C ATOM 1151 C TRP A 74 8.487 1.422 8.157 1.00 0.00 C ATOM 1152 O TRP A 74 7.793 1.710 9.131 1.00 0.00 O ATOM 1153 CB TRP A 74 7.488 0.814 5.927 1.00 0.00 C ATOM 1154 CG TRP A 74 8.336 -0.422 5.818 1.00 0.00 C ATOM 1155 CD1 TRP A 74 8.218 -1.566 6.556 1.00 0.00 C ATOM 1156 CD2 TRP A 74 9.434 -0.634 4.922 1.00 0.00 C ATOM 1157 NE1 TRP A 74 9.175 -2.474 6.175 1.00 0.00 N ATOM 1158 CE2 TRP A 74 9.933 -1.927 5.172 1.00 0.00 C ATOM 1159 CE3 TRP A 74 10.044 0.141 3.932 1.00 0.00 C ATOM 1160 CZ2 TRP A 74 11.012 -2.457 4.469 1.00 0.00 C ATOM 1161 CZ3 TRP A 74 11.113 -0.386 3.235 1.00 0.00 C ATOM 1162 CH2 TRP A 74 11.588 -1.675 3.506 1.00 0.00 C ATOM 0 H TRP A 74 9.942 1.792 5.729 1.00 0.00 H new ATOM 0 HA TRP A 74 7.392 2.741 6.876 1.00 0.00 H new ATOM 0 HB2 TRP A 74 6.528 0.545 6.367 1.00 0.00 H new ATOM 0 HB3 TRP A 74 7.285 1.192 4.925 1.00 0.00 H new ATOM 0 HD1 TRP A 74 7.480 -1.732 7.327 1.00 0.00 H new ATOM 0 HE1 TRP A 74 9.301 -3.404 6.573 1.00 0.00 H new ATOM 0 HE3 TRP A 74 9.685 1.136 3.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 11.381 -3.451 4.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 11.591 0.206 2.468 1.00 0.00 H new ATOM 0 HH2 TRP A 74 12.426 -2.059 2.943 1.00 0.00 H new ATOM 1173 N GLU A 75 9.578 0.659 8.242 1.00 0.00 N ATOM 1174 CA GLU A 75 10.035 0.100 9.517 1.00 0.00 C ATOM 1175 C GLU A 75 10.850 1.120 10.315 1.00 0.00 C ATOM 1176 O GLU A 75 10.848 1.095 11.547 1.00 0.00 O ATOM 1177 CB GLU A 75 10.862 -1.171 9.286 1.00 0.00 C ATOM 1178 CG GLU A 75 11.987 -1.006 8.271 1.00 0.00 C ATOM 1179 CD GLU A 75 12.960 -2.171 8.276 1.00 0.00 C ATOM 1180 OE1 GLU A 75 13.548 -2.453 9.343 1.00 0.00 O ATOM 1181 OE2 GLU A 75 13.137 -2.800 7.211 1.00 0.00 O ATOM 0 H GLU A 75 10.162 0.413 7.443 1.00 0.00 H new ATOM 0 HA GLU A 75 9.149 -0.156 10.099 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.289 -1.491 10.236 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.198 -1.967 8.950 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.558 -0.901 7.274 1.00 0.00 H new ATOM 0 HG3 GLU A 75 12.529 -0.085 8.483 1.00 0.00 H new ATOM 1188 N LEU A 76 11.540 2.016 9.606 1.00 0.00 N ATOM 1189 CA LEU A 76 12.359 3.052 10.244 1.00 0.00 C ATOM 1190 C LEU A 76 11.524 3.928 11.189 1.00 0.00 C ATOM 1191 O LEU A 76 12.056 4.492 12.147 1.00 0.00 O ATOM 1192 CB LEU A 76 13.028 3.925 9.172 1.00 0.00 C ATOM 1193 CG LEU A 76 14.498 4.290 9.421 1.00 0.00 C ATOM 1194 CD1 LEU A 76 14.636 5.191 10.639 1.00 0.00 C ATOM 1195 CD2 LEU A 76 15.349 3.037 9.579 1.00 0.00 C ATOM 0 H LEU A 76 11.548 2.046 8.586 1.00 0.00 H new ATOM 0 HA LEU A 76 13.125 2.555 10.839 1.00 0.00 H new ATOM 0 HB2 LEU A 76 12.960 3.407 8.216 1.00 0.00 H new ATOM 0 HB3 LEU A 76 12.457 4.848 9.075 1.00 0.00 H new ATOM 0 HG LEU A 76 14.859 4.839 8.551 1.00 0.00 H new ATOM 0 HD11 LEU A 76 15.687 5.435 10.794 1.00 0.00 H new ATOM 0 HD12 LEU A 76 14.070 6.109 10.479 1.00 0.00 H new ATOM 0 HD13 LEU A 76 14.250 4.676 11.518 1.00 0.00 H new ATOM 0 HD21 LEU A 76 16.386 3.322 9.754 1.00 0.00 H new ATOM 0 HD22 LEU A 76 14.985 2.454 10.425 1.00 0.00 H new ATOM 0 HD23 LEU A 76 15.286 2.437 8.671 1.00 0.00 H new ATOM 1207 N GLU A 77 10.218 4.040 10.920 1.00 0.00 N ATOM 1208 CA GLU A 77 9.331 4.850 11.755 1.00 0.00 C ATOM 1209 C GLU A 77 8.247 3.991 12.408 1.00 0.00 C ATOM 1210 O GLU A 77 8.207 3.858 13.632 1.00 0.00 O ATOM 1211 CB GLU A 77 8.687 5.969 10.929 1.00 0.00 C ATOM 1212 CG GLU A 77 9.691 6.862 10.210 1.00 0.00 C ATOM 1213 CD GLU A 77 10.434 7.795 11.150 1.00 0.00 C ATOM 1214 OE1 GLU A 77 9.774 8.446 11.990 1.00 0.00 O ATOM 1215 OE2 GLU A 77 11.675 7.874 11.046 1.00 0.00 O ATOM 0 H GLU A 77 9.756 3.582 10.134 1.00 0.00 H new ATOM 0 HA GLU A 77 9.936 5.296 12.545 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.018 5.524 10.192 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.073 6.585 11.586 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.412 6.238 9.682 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.169 7.453 9.457 1.00 0.00 H new ATOM 1222 N GLY A 78 7.367 3.413 11.587 1.00 0.00 N ATOM 1223 CA GLY A 78 6.296 2.580 12.110 1.00 0.00 C ATOM 1224 C GLY A 78 5.755 1.607 11.079 1.00 0.00 C ATOM 1225 O GLY A 78 5.033 2.006 10.164 1.00 0.00 O ATOM 0 H GLY A 78 7.378 3.508 10.571 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.662 2.023 12.972 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.485 3.217 12.463 1.00 0.00 H new ATOM 1229 N GLU A 79 6.113 0.329 11.223 1.00 0.00 N ATOM 1230 CA GLU A 79 5.665 -0.711 10.291 1.00 0.00 C ATOM 1231 C GLU A 79 4.143 -0.705 10.141 1.00 0.00 C ATOM 1232 O GLU A 79 3.624 -0.410 9.064 1.00 0.00 O ATOM 1233 CB GLU A 79 6.138 -2.095 10.754 1.00 0.00 C ATOM 1234 CG GLU A 79 7.648 -2.218 10.889 1.00 0.00 C ATOM 1235 CD GLU A 79 8.059 -3.338 11.827 1.00 0.00 C ATOM 1236 OE1 GLU A 79 7.710 -4.505 11.550 1.00 0.00 O ATOM 1237 OE2 GLU A 79 8.728 -3.046 12.841 1.00 0.00 O ATOM 0 H GLU A 79 6.712 -0.012 11.975 1.00 0.00 H new ATOM 0 HA GLU A 79 6.107 -0.492 9.319 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.678 -2.322 11.715 1.00 0.00 H new ATOM 0 HB3 GLU A 79 5.784 -2.844 10.046 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.084 -2.394 9.906 1.00 0.00 H new ATOM 0 HG3 GLU A 79 8.055 -1.275 11.254 1.00 0.00 H new ATOM 1244 N LYS A 80 3.435 -1.032 11.223 1.00 0.00 N ATOM 1245 CA LYS A 80 1.973 -1.060 11.206 1.00 0.00 C ATOM 1246 C LYS A 80 1.391 -0.037 12.184 1.00 0.00 C ATOM 1247 O LYS A 80 0.391 0.620 11.881 1.00 0.00 O ATOM 1248 CB LYS A 80 1.463 -2.462 11.551 1.00 0.00 C ATOM 1249 CG LYS A 80 -0.054 -2.563 11.584 1.00 0.00 C ATOM 1250 CD LYS A 80 -0.515 -3.938 12.040 1.00 0.00 C ATOM 1251 CE LYS A 80 -1.242 -3.875 13.377 1.00 0.00 C ATOM 1252 NZ LYS A 80 -0.384 -3.311 14.460 1.00 0.00 N ATOM 0 H LYS A 80 3.850 -1.281 12.121 1.00 0.00 H new ATOM 0 HA LYS A 80 1.644 -0.798 10.200 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.851 -3.171 10.820 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.860 -2.756 12.523 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.455 -1.803 12.255 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.454 -2.355 10.592 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.175 -4.368 11.287 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.346 -4.601 12.125 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.139 -3.265 13.272 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -1.568 -4.876 13.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.785 -3.561 15.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 0.576 -3.703 14.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.344 -2.276 14.368 1.00 0.00 H new ATOM 1266 N ASP A 81 2.023 0.092 13.355 1.00 0.00 N ATOM 1267 CA ASP A 81 1.578 1.034 14.385 1.00 0.00 C ATOM 1268 C ASP A 81 1.505 2.469 13.849 1.00 0.00 C ATOM 1269 O ASP A 81 0.741 3.287 14.365 1.00 0.00 O ATOM 1270 CB ASP A 81 2.512 0.969 15.602 1.00 0.00 C ATOM 1271 CG ASP A 81 2.119 -0.121 16.586 1.00 0.00 C ATOM 1272 OD1 ASP A 81 0.905 -0.363 16.759 1.00 0.00 O ATOM 1273 OD2 ASP A 81 3.027 -0.733 17.184 1.00 0.00 O ATOM 0 H ASP A 81 2.849 -0.448 13.613 1.00 0.00 H new ATOM 0 HA ASP A 81 0.572 0.743 14.688 1.00 0.00 H new ATOM 0 HB2 ASP A 81 3.533 0.795 15.262 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.505 1.932 16.112 1.00 0.00 H new ATOM 1278 N TYR A 82 2.297 2.769 12.812 1.00 0.00 N ATOM 1279 CA TYR A 82 2.310 4.103 12.207 1.00 0.00 C ATOM 1280 C TYR A 82 0.887 4.588 11.930 1.00 0.00 C ATOM 1281 O TYR A 82 0.160 3.993 11.130 1.00 0.00 O ATOM 1282 CB TYR A 82 3.121 4.090 10.908 1.00 0.00 C ATOM 1283 CG TYR A 82 3.138 5.414 10.173 1.00 0.00 C ATOM 1284 CD1 TYR A 82 4.082 6.387 10.477 1.00 0.00 C ATOM 1285 CD2 TYR A 82 2.215 5.686 9.170 1.00 0.00 C ATOM 1286 CE1 TYR A 82 4.106 7.593 9.802 1.00 0.00 C ATOM 1287 CE2 TYR A 82 2.232 6.890 8.492 1.00 0.00 C ATOM 1288 CZ TYR A 82 3.179 7.840 8.811 1.00 0.00 C ATOM 1289 OH TYR A 82 3.204 9.039 8.133 1.00 0.00 O ATOM 0 H TYR A 82 2.936 2.105 12.376 1.00 0.00 H new ATOM 0 HA TYR A 82 2.779 4.791 12.911 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.147 3.801 11.136 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.714 3.325 10.246 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.809 6.198 11.253 1.00 0.00 H new ATOM 0 HD2 TYR A 82 1.472 4.944 8.916 1.00 0.00 H new ATOM 0 HE1 TYR A 82 4.847 8.338 10.049 1.00 0.00 H new ATOM 0 HE2 TYR A 82 1.507 7.086 7.716 1.00 0.00 H new ATOM 0 HH TYR A 82 2.561 9.011 7.394 1.00 0.00 H new ATOM 1299 N ILE A 83 0.501 5.670 12.603 1.00 0.00 N ATOM 1300 CA ILE A 83 -0.830 6.245 12.447 1.00 0.00 C ATOM 1301 C ILE A 83 -0.966 6.954 11.100 1.00 0.00 C ATOM 1302 O ILE A 83 -0.094 7.733 10.710 1.00 0.00 O ATOM 1303 CB ILE A 83 -1.149 7.247 13.585 1.00 0.00 C ATOM 1304 CG1 ILE A 83 -0.836 6.633 14.956 1.00 0.00 C ATOM 1305 CG2 ILE A 83 -2.607 7.681 13.520 1.00 0.00 C ATOM 1306 CD1 ILE A 83 0.093 7.478 15.805 1.00 0.00 C ATOM 0 H ILE A 83 1.096 6.167 13.265 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.541 5.420 12.493 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.518 8.125 13.451 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.770 6.480 15.497 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.387 5.650 14.810 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.813 8.385 14.327 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.801 8.161 12.561 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.251 6.808 13.626 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.268 6.980 16.759 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.042 7.610 15.285 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.362 8.452 15.983 1.00 0.00 H new ATOM 1318 N LEU A 84 -2.065 6.679 10.394 1.00 0.00 N ATOM 1319 CA LEU A 84 -2.315 7.291 9.092 1.00 0.00 C ATOM 1320 C LEU A 84 -2.556 8.796 9.240 1.00 0.00 C ATOM 1321 O LEU A 84 -2.639 9.313 10.357 1.00 0.00 O ATOM 1322 CB LEU A 84 -3.519 6.629 8.410 1.00 0.00 C ATOM 1323 CG LEU A 84 -3.249 5.261 7.763 1.00 0.00 C ATOM 1324 CD1 LEU A 84 -4.496 4.750 7.054 1.00 0.00 C ATOM 1325 CD2 LEU A 84 -2.080 5.339 6.788 1.00 0.00 C ATOM 0 H LEU A 84 -2.794 6.037 10.704 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.433 7.140 8.470 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.312 6.511 9.148 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.896 7.305 7.643 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.986 4.560 8.555 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.286 3.781 6.602 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.307 4.646 7.774 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.788 5.457 6.277 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.910 4.358 6.344 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.309 6.058 6.002 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.183 5.657 7.320 1.00 0.00 H new ATOM 1337 N GLU A 85 -2.671 9.493 8.110 1.00 0.00 N ATOM 1338 CA GLU A 85 -2.899 10.932 8.110 1.00 0.00 C ATOM 1339 C GLU A 85 -3.398 11.391 6.746 1.00 0.00 C ATOM 1340 O GLU A 85 -2.614 11.542 5.807 1.00 0.00 O ATOM 1341 CB GLU A 85 -1.613 11.685 8.470 1.00 0.00 C ATOM 1342 CG GLU A 85 -1.512 12.055 9.942 1.00 0.00 C ATOM 1343 CD GLU A 85 -1.221 13.528 10.159 1.00 0.00 C ATOM 1344 OE1 GLU A 85 -1.976 14.369 9.625 1.00 0.00 O ATOM 1345 OE2 GLU A 85 -0.239 13.842 10.865 1.00 0.00 O ATOM 0 H GLU A 85 -2.609 9.079 7.180 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.658 11.154 8.861 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.755 11.070 8.199 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.555 12.594 7.871 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.445 11.796 10.442 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.726 11.461 10.408 1.00 0.00 H new ATOM 1352 N ASP A 86 -4.708 11.598 6.642 1.00 0.00 N ATOM 1353 CA ASP A 86 -5.329 12.036 5.389 1.00 0.00 C ATOM 1354 C ASP A 86 -4.545 13.187 4.763 1.00 0.00 C ATOM 1355 O ASP A 86 -4.402 14.256 5.359 1.00 0.00 O ATOM 1356 CB ASP A 86 -6.788 12.449 5.615 1.00 0.00 C ATOM 1357 CG ASP A 86 -6.945 13.561 6.636 1.00 0.00 C ATOM 1358 OD1 ASP A 86 -6.692 13.310 7.832 1.00 0.00 O ATOM 1359 OD2 ASP A 86 -7.328 14.682 6.239 1.00 0.00 O ATOM 0 H ASP A 86 -5.365 11.470 7.412 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.312 11.192 4.699 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.218 12.772 4.667 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.358 11.580 5.944 1.00 0.00 H new ATOM 1364 N GLY A 87 -4.027 12.943 3.563 1.00 0.00 N ATOM 1365 CA GLY A 87 -3.242 13.944 2.863 1.00 0.00 C ATOM 1366 C GLY A 87 -1.775 13.550 2.741 1.00 0.00 C ATOM 1367 O GLY A 87 -0.926 14.393 2.445 1.00 0.00 O ATOM 0 H GLY A 87 -4.138 12.063 3.060 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -3.658 14.097 1.867 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.317 14.895 3.390 1.00 0.00 H new ATOM 1371 N ASP A 88 -1.478 12.266 2.968 1.00 0.00 N ATOM 1372 CA ASP A 88 -0.111 11.759 2.885 1.00 0.00 C ATOM 1373 C ASP A 88 0.182 11.205 1.491 1.00 0.00 C ATOM 1374 O ASP A 88 -0.722 11.069 0.663 1.00 0.00 O ATOM 1375 CB ASP A 88 0.106 10.661 3.934 1.00 0.00 C ATOM 1376 CG ASP A 88 0.820 11.158 5.179 1.00 0.00 C ATOM 1377 OD1 ASP A 88 0.504 12.275 5.643 1.00 0.00 O ATOM 1378 OD2 ASP A 88 1.690 10.424 5.696 1.00 0.00 O ATOM 0 H ASP A 88 -2.172 11.559 3.211 1.00 0.00 H new ATOM 0 HA ASP A 88 0.571 12.587 3.079 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.860 10.243 4.219 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.685 9.852 3.489 1.00 0.00 H new ATOM 1383 N ILE A 89 1.451 10.880 1.243 1.00 0.00 N ATOM 1384 CA ILE A 89 1.868 10.329 -0.044 1.00 0.00 C ATOM 1385 C ILE A 89 2.639 9.022 0.150 1.00 0.00 C ATOM 1386 O ILE A 89 3.824 9.036 0.496 1.00 0.00 O ATOM 1387 CB ILE A 89 2.745 11.324 -0.842 1.00 0.00 C ATOM 1388 CG1 ILE A 89 2.119 12.726 -0.854 1.00 0.00 C ATOM 1389 CG2 ILE A 89 2.949 10.825 -2.265 1.00 0.00 C ATOM 1390 CD1 ILE A 89 0.788 12.797 -1.573 1.00 0.00 C ATOM 0 H ILE A 89 2.208 10.989 1.918 1.00 0.00 H new ATOM 0 HA ILE A 89 0.959 10.137 -0.614 1.00 0.00 H new ATOM 0 HB ILE A 89 3.715 11.391 -0.349 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.984 13.062 0.174 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.814 13.420 -1.327 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.568 11.535 -2.814 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.444 9.854 -2.243 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.982 10.728 -2.759 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.410 13.819 -1.539 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.919 12.493 -2.612 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.076 12.130 -1.087 1.00 0.00 H new ATOM 1402 N ILE A 90 1.958 7.895 -0.072 1.00 0.00 N ATOM 1403 CA ILE A 90 2.576 6.576 0.077 1.00 0.00 C ATOM 1404 C ILE A 90 3.022 6.023 -1.276 1.00 0.00 C ATOM 1405 O ILE A 90 2.343 6.211 -2.286 1.00 0.00 O ATOM 1406 CB ILE A 90 1.617 5.559 0.740 1.00 0.00 C ATOM 1407 CG1 ILE A 90 0.802 6.220 1.859 1.00 0.00 C ATOM 1408 CG2 ILE A 90 2.399 4.369 1.282 1.00 0.00 C ATOM 1409 CD1 ILE A 90 1.647 6.796 2.976 1.00 0.00 C ATOM 0 H ILE A 90 0.979 7.870 -0.356 1.00 0.00 H new ATOM 0 HA ILE A 90 3.443 6.713 0.723 1.00 0.00 H new ATOM 0 HB ILE A 90 0.921 5.204 -0.020 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.193 7.016 1.430 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.116 5.484 2.278 1.00 0.00 H new ATOM 0 HG21 ILE A 90 1.711 3.662 1.746 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.927 3.878 0.465 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.119 4.714 2.024 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.999 7.245 3.728 1.00 0.00 H new ATOM 0 HD12 ILE A 90 2.236 6.001 3.433 1.00 0.00 H new ATOM 0 HD13 ILE A 90 2.315 7.557 2.572 1.00 0.00 H new ATOM 1421 N SER A 91 4.165 5.338 -1.291 1.00 0.00 N ATOM 1422 CA SER A 91 4.696 4.760 -2.525 1.00 0.00 C ATOM 1423 C SER A 91 4.831 3.242 -2.414 1.00 0.00 C ATOM 1424 O SER A 91 5.270 2.723 -1.386 1.00 0.00 O ATOM 1425 CB SER A 91 6.059 5.373 -2.868 1.00 0.00 C ATOM 1426 OG SER A 91 6.204 6.667 -2.307 1.00 0.00 O ATOM 0 H SER A 91 4.740 5.170 -0.465 1.00 0.00 H new ATOM 0 HA SER A 91 3.989 4.988 -3.322 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.854 4.725 -2.499 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.171 5.430 -3.951 1.00 0.00 H new ATOM 0 HG SER A 91 7.084 7.029 -2.543 1.00 0.00 H new ATOM 1432 N PHE A 92 4.462 2.540 -3.487 1.00 0.00 N ATOM 1433 CA PHE A 92 4.547 1.081 -3.529 1.00 0.00 C ATOM 1434 C PHE A 92 5.257 0.623 -4.804 1.00 0.00 C ATOM 1435 O PHE A 92 4.613 0.264 -5.793 1.00 0.00 O ATOM 1436 CB PHE A 92 3.150 0.456 -3.457 1.00 0.00 C ATOM 1437 CG PHE A 92 2.489 0.590 -2.114 1.00 0.00 C ATOM 1438 CD1 PHE A 92 1.905 1.787 -1.735 1.00 0.00 C ATOM 1439 CD2 PHE A 92 2.449 -0.480 -1.234 1.00 0.00 C ATOM 1440 CE1 PHE A 92 1.293 1.915 -0.504 1.00 0.00 C ATOM 1441 CE2 PHE A 92 1.837 -0.357 -0.001 1.00 0.00 C ATOM 1442 CZ PHE A 92 1.259 0.842 0.365 1.00 0.00 C ATOM 0 H PHE A 92 4.100 2.962 -4.342 1.00 0.00 H new ATOM 0 HA PHE A 92 5.123 0.750 -2.665 1.00 0.00 H new ATOM 0 HB2 PHE A 92 2.515 0.922 -4.211 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.223 -0.602 -3.711 1.00 0.00 H new ATOM 0 HD1 PHE A 92 1.929 2.630 -2.410 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.901 -1.420 -1.515 1.00 0.00 H new ATOM 0 HE1 PHE A 92 0.841 2.854 -0.221 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.811 -1.198 0.676 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.781 0.941 1.329 1.00 0.00 H new ATOM 1452 N THR A 93 6.589 0.643 -4.773 1.00 0.00 N ATOM 1453 CA THR A 93 7.396 0.234 -5.922 1.00 0.00 C ATOM 1454 C THR A 93 7.865 -1.215 -5.768 1.00 0.00 C ATOM 1455 O THR A 93 8.268 -1.632 -4.680 1.00 0.00 O ATOM 1456 CB THR A 93 8.606 1.163 -6.081 1.00 0.00 C ATOM 1457 OG1 THR A 93 8.210 2.523 -6.016 1.00 0.00 O ATOM 1458 CG2 THR A 93 9.351 0.964 -7.385 1.00 0.00 C ATOM 0 H THR A 93 7.133 0.939 -3.963 1.00 0.00 H new ATOM 0 HA THR A 93 6.776 0.304 -6.815 1.00 0.00 H new ATOM 0 HB THR A 93 9.273 0.906 -5.258 1.00 0.00 H new ATOM 0 HG1 THR A 93 8.997 3.098 -6.118 1.00 0.00 H new ATOM 0 HG21 THR A 93 10.194 1.653 -7.431 1.00 0.00 H new ATOM 0 HG22 THR A 93 9.716 -0.061 -7.442 1.00 0.00 H new ATOM 0 HG23 THR A 93 8.679 1.157 -8.221 1.00 0.00 H new ATOM 1466 N SER A 94 7.813 -1.976 -6.862 1.00 0.00 N ATOM 1467 CA SER A 94 8.233 -3.377 -6.848 1.00 0.00 C ATOM 1468 C SER A 94 9.554 -3.558 -7.593 1.00 0.00 C ATOM 1469 O SER A 94 9.616 -3.401 -8.814 1.00 0.00 O ATOM 1470 CB SER A 94 7.152 -4.264 -7.473 1.00 0.00 C ATOM 1471 OG SER A 94 6.172 -4.628 -6.514 1.00 0.00 O ATOM 0 H SER A 94 7.484 -1.645 -7.769 1.00 0.00 H new ATOM 0 HA SER A 94 8.380 -3.675 -5.810 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.677 -3.736 -8.300 1.00 0.00 H new ATOM 0 HB3 SER A 94 7.609 -5.162 -7.889 1.00 0.00 H new ATOM 0 HG SER A 94 5.585 -5.316 -6.891 1.00 0.00 H new ATOM 1477 N THR A 95 10.607 -3.893 -6.849 1.00 0.00 N ATOM 1478 CA THR A 95 11.929 -4.101 -7.432 1.00 0.00 C ATOM 1479 C THR A 95 12.394 -5.543 -7.204 1.00 0.00 C ATOM 1480 O THR A 95 13.280 -5.809 -6.390 1.00 0.00 O ATOM 1481 CB THR A 95 12.934 -3.100 -6.844 1.00 0.00 C ATOM 1482 OG1 THR A 95 14.242 -3.349 -7.335 1.00 0.00 O ATOM 1483 CG2 THR A 95 12.995 -3.120 -5.330 1.00 0.00 C ATOM 0 H THR A 95 10.569 -4.026 -5.838 1.00 0.00 H new ATOM 0 HA THR A 95 11.869 -3.932 -8.507 1.00 0.00 H new ATOM 0 HB THR A 95 12.576 -2.120 -7.159 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.866 -2.699 -6.949 1.00 0.00 H new ATOM 0 HG21 THR A 95 13.725 -2.388 -4.986 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.014 -2.873 -4.923 1.00 0.00 H new ATOM 0 HG23 THR A 95 13.289 -4.113 -4.991 1.00 0.00 H new ATOM 1491 N LEU A 96 11.777 -6.472 -7.932 1.00 0.00 N ATOM 1492 CA LEU A 96 12.113 -7.889 -7.820 1.00 0.00 C ATOM 1493 C LEU A 96 12.234 -8.530 -9.199 1.00 0.00 C ATOM 1494 O LEU A 96 11.267 -8.566 -9.962 1.00 0.00 O ATOM 1495 CB LEU A 96 11.050 -8.627 -6.994 1.00 0.00 C ATOM 1496 CG LEU A 96 11.589 -9.663 -6.001 1.00 0.00 C ATOM 1497 CD1 LEU A 96 12.234 -10.830 -6.738 1.00 0.00 C ATOM 1498 CD2 LEU A 96 12.580 -9.019 -5.040 1.00 0.00 C ATOM 0 H LEU A 96 11.040 -6.268 -8.607 1.00 0.00 H new ATOM 0 HA LEU A 96 13.076 -7.968 -7.315 1.00 0.00 H new ATOM 0 HB2 LEU A 96 10.467 -7.890 -6.442 1.00 0.00 H new ATOM 0 HB3 LEU A 96 10.365 -9.127 -7.679 1.00 0.00 H new ATOM 0 HG LEU A 96 10.751 -10.049 -5.420 1.00 0.00 H new ATOM 0 HD11 LEU A 96 12.610 -11.554 -6.015 1.00 0.00 H new ATOM 0 HD12 LEU A 96 11.494 -11.309 -7.380 1.00 0.00 H new ATOM 0 HD13 LEU A 96 13.060 -10.464 -7.348 1.00 0.00 H new ATOM 0 HD21 LEU A 96 12.951 -9.770 -4.343 1.00 0.00 H new ATOM 0 HD22 LEU A 96 13.415 -8.602 -5.603 1.00 0.00 H new ATOM 0 HD23 LEU A 96 12.084 -8.223 -4.485 1.00 0.00 H new ATOM 1510 N HIS A 97 13.425 -9.040 -9.509 1.00 0.00 N ATOM 1511 CA HIS A 97 13.669 -9.691 -10.794 1.00 0.00 C ATOM 1512 C HIS A 97 13.925 -11.185 -10.611 1.00 0.00 C ATOM 1513 O HIS A 97 13.410 -12.006 -11.372 1.00 0.00 O ATOM 1514 CB HIS A 97 14.855 -9.042 -11.512 1.00 0.00 C ATOM 1515 CG HIS A 97 14.491 -7.796 -12.260 1.00 0.00 C ATOM 1516 ND1 HIS A 97 15.392 -6.787 -12.523 1.00 0.00 N ATOM 1517 CD2 HIS A 97 13.315 -7.399 -12.802 1.00 0.00 C ATOM 1518 CE1 HIS A 97 14.786 -5.822 -13.192 1.00 0.00 C ATOM 1519 NE2 HIS A 97 13.526 -6.170 -13.374 1.00 0.00 N ATOM 0 H HIS A 97 14.234 -9.015 -8.889 1.00 0.00 H new ATOM 0 HA HIS A 97 12.775 -9.565 -11.405 1.00 0.00 H new ATOM 0 HB2 HIS A 97 15.627 -8.805 -10.780 1.00 0.00 H new ATOM 0 HB3 HIS A 97 15.286 -9.761 -12.208 1.00 0.00 H new ATOM 0 HD2 HIS A 97 12.385 -7.948 -12.787 1.00 0.00 H new ATOM 0 HE1 HIS A 97 15.244 -4.905 -13.532 1.00 0.00 H new ATOM 0 HE2 HIS A 97 12.823 -5.615 -13.861 1.00 0.00 H new ATOM 1528 N GLY A 98 14.722 -11.531 -9.599 1.00 0.00 N ATOM 1529 CA GLY A 98 15.029 -12.925 -9.337 1.00 0.00 C ATOM 1530 C GLY A 98 14.306 -13.455 -8.112 1.00 0.00 C ATOM 1531 O GLY A 98 14.760 -13.249 -6.985 1.00 0.00 O ATOM 0 H GLY A 98 15.159 -10.869 -8.958 1.00 0.00 H new ATOM 0 HA2 GLY A 98 14.755 -13.524 -10.205 1.00 0.00 H new ATOM 0 HA3 GLY A 98 16.104 -13.038 -9.198 1.00 0.00 H new ATOM 1535 N GLY A 99 13.179 -14.133 -8.331 1.00 0.00 N ATOM 1536 CA GLY A 99 12.407 -14.678 -7.224 1.00 0.00 C ATOM 1537 C GLY A 99 10.930 -14.812 -7.551 1.00 0.00 C ATOM 1538 O GLY A 99 10.271 -15.700 -6.969 1.00 0.00 O ATOM 0 H GLY A 99 12.787 -14.314 -9.255 1.00 0.00 H new ATOM 0 HA2 GLY A 99 12.806 -15.656 -6.955 1.00 0.00 H new ATOM 0 HA3 GLY A 99 12.525 -14.035 -6.352 1.00 0.00 H new TER 1542 GLY A 99