USER MOD reduce.3.24.130724 H: found=0, std=0, add=533, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 531 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 35:sc= 1.08 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0736 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -1.68 K(o=-1.7,f=-4.3!) USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0227 USER MOD Single : A 30 THR OG1 : rot 52:sc= 0.424 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -50:sc= 1.01 USER MOD Single : A 39 ASN : amide:sc= -4.19! C(o=-4.2!,f=-8.2!) USER MOD Single : A 41 ASN : amide:sc= -0.0781 K(o=-0.078,f=-0.8) USER MOD Single : A 50 LYS NZ :NH3+ -126:sc= -0.339 (180deg=-0.904) USER MOD Single : A 51 ASN : amide:sc= -2.36! C(o=-2.4!,f=-13!) USER MOD Single : A 52 ASN : amide:sc= -0.197 K(o=-0.2,f=-5.9!) USER MOD Single : A 53 LYS NZ :NH3+ 151:sc= -0.312 (180deg=-1.2!) USER MOD Single : A 56 GLN : amide:sc= -0.441 X(o=-0.44,f=-0.17) USER MOD Single : A 61 THR OG1 : rot -86:sc= 0.148 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.198 K(o=-0.2,f=-1.5) USER MOD Single : A 72 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0511) USER MOD Single : A 76 SER OG : rot 180:sc= -0.0216 USER MOD Single : A 77 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.649 25.520 14.573 1.00 0.00 N ATOM 2 CA GLY A 1 -4.931 24.354 13.757 1.00 0.00 C ATOM 3 C GLY A 1 -4.413 24.499 12.339 1.00 0.00 C ATOM 4 O GLY A 1 -3.382 23.927 11.986 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.023 25.371 15.532 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.621 25.669 14.621 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.101 26.356 14.151 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.480 23.475 14.217 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.007 24.184 13.732 1.00 0.00 H new ATOM 8 N SER A 2 -5.130 25.267 11.525 1.00 0.00 N ATOM 9 CA SER A 2 -4.740 25.481 10.136 1.00 0.00 C ATOM 10 C SER A 2 -5.480 26.676 9.542 1.00 0.00 C ATOM 11 O SER A 2 -6.515 27.097 10.058 1.00 0.00 O ATOM 12 CB SER A 2 -5.021 24.228 9.306 1.00 0.00 C ATOM 13 OG SER A 2 -3.937 23.317 9.373 1.00 0.00 O ATOM 0 H SER A 2 -5.984 25.751 11.803 1.00 0.00 H new ATOM 0 HA SER A 2 -3.671 25.690 10.113 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.929 23.745 9.667 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.201 24.508 8.268 1.00 0.00 H new ATOM 0 HG SER A 2 -3.529 23.359 10.263 1.00 0.00 H new ATOM 19 N SER A 3 -4.941 27.216 8.454 1.00 0.00 N ATOM 20 CA SER A 3 -5.548 28.365 7.791 1.00 0.00 C ATOM 21 C SER A 3 -5.956 28.014 6.363 1.00 0.00 C ATOM 22 O SER A 3 -6.822 28.662 5.777 1.00 0.00 O ATOM 23 CB SER A 3 -4.575 29.546 7.779 1.00 0.00 C ATOM 24 OG SER A 3 -3.377 29.213 7.101 1.00 0.00 O ATOM 0 H SER A 3 -4.086 26.877 8.013 1.00 0.00 H new ATOM 0 HA SER A 3 -6.442 28.645 8.348 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.044 30.403 7.295 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.347 29.843 8.802 1.00 0.00 H new ATOM 0 HG SER A 3 -2.773 29.985 7.106 1.00 0.00 H new ATOM 30 N GLY A 4 -5.325 26.983 5.810 1.00 0.00 N ATOM 31 CA GLY A 4 -5.636 26.563 4.456 1.00 0.00 C ATOM 32 C GLY A 4 -5.190 25.142 4.173 1.00 0.00 C ATOM 33 O GLY A 4 -5.777 24.188 4.682 1.00 0.00 O ATOM 0 H GLY A 4 -4.604 26.431 6.275 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.711 26.643 4.292 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.155 27.239 3.749 1.00 0.00 H new ATOM 37 N SER A 5 -4.151 25.001 3.357 1.00 0.00 N ATOM 38 CA SER A 5 -3.630 23.686 3.002 1.00 0.00 C ATOM 39 C SER A 5 -2.227 23.486 3.566 1.00 0.00 C ATOM 40 O SER A 5 -1.470 24.443 3.730 1.00 0.00 O ATOM 41 CB SER A 5 -3.610 23.515 1.482 1.00 0.00 C ATOM 42 OG SER A 5 -2.676 24.395 0.882 1.00 0.00 O ATOM 0 H SER A 5 -3.653 25.781 2.929 1.00 0.00 H new ATOM 0 HA SER A 5 -4.288 22.933 3.437 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.356 22.485 1.232 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.605 23.705 1.078 1.00 0.00 H new ATOM 0 HG SER A 5 -2.681 24.265 -0.089 1.00 0.00 H new ATOM 48 N SER A 6 -1.887 22.236 3.861 1.00 0.00 N ATOM 49 CA SER A 6 -0.576 21.910 4.411 1.00 0.00 C ATOM 50 C SER A 6 -0.211 20.457 4.121 1.00 0.00 C ATOM 51 O SER A 6 -1.070 19.647 3.774 1.00 0.00 O ATOM 52 CB SER A 6 -0.555 22.161 5.920 1.00 0.00 C ATOM 53 OG SER A 6 0.760 22.432 6.374 1.00 0.00 O ATOM 0 H SER A 6 -2.501 21.432 3.729 1.00 0.00 H new ATOM 0 HA SER A 6 0.161 22.555 3.932 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.207 23.001 6.161 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.951 21.290 6.442 1.00 0.00 H new ATOM 0 HG SER A 6 0.746 22.591 7.341 1.00 0.00 H new ATOM 59 N GLY A 7 1.071 20.135 4.265 1.00 0.00 N ATOM 60 CA GLY A 7 1.528 18.780 4.015 1.00 0.00 C ATOM 61 C GLY A 7 0.892 18.173 2.780 1.00 0.00 C ATOM 62 O GLY A 7 0.027 17.304 2.883 1.00 0.00 O ATOM 0 H GLY A 7 1.801 20.788 4.550 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.612 18.781 3.899 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.301 18.158 4.880 1.00 0.00 H new ATOM 66 N MET A 8 1.321 18.632 1.609 1.00 0.00 N ATOM 67 CA MET A 8 0.788 18.128 0.349 1.00 0.00 C ATOM 68 C MET A 8 1.517 16.860 -0.082 1.00 0.00 C ATOM 69 O MET A 8 1.717 16.621 -1.272 1.00 0.00 O ATOM 70 CB MET A 8 0.906 19.194 -0.743 1.00 0.00 C ATOM 71 CG MET A 8 2.342 19.561 -1.080 1.00 0.00 C ATOM 72 SD MET A 8 2.467 21.110 -1.993 1.00 0.00 S ATOM 73 CE MET A 8 4.245 21.314 -2.073 1.00 0.00 C ATOM 0 H MET A 8 2.036 19.352 1.507 1.00 0.00 H new ATOM 0 HA MET A 8 -0.264 17.887 0.500 1.00 0.00 H new ATOM 0 HB2 MET A 8 0.410 18.835 -1.645 1.00 0.00 H new ATOM 0 HB3 MET A 8 0.376 20.091 -0.423 1.00 0.00 H new ATOM 0 HG2 MET A 8 2.919 19.639 -0.158 1.00 0.00 H new ATOM 0 HG3 MET A 8 2.789 18.760 -1.668 1.00 0.00 H new ATOM 0 HE1 MET A 8 4.482 22.232 -2.610 1.00 0.00 H new ATOM 0 HE2 MET A 8 4.651 21.370 -1.063 1.00 0.00 H new ATOM 0 HE3 MET A 8 4.686 20.464 -2.594 1.00 0.00 H new ATOM 83 N ALA A 9 1.912 16.049 0.895 1.00 0.00 N ATOM 84 CA ALA A 9 2.617 14.805 0.616 1.00 0.00 C ATOM 85 C ALA A 9 1.659 13.618 0.621 1.00 0.00 C ATOM 86 O ALA A 9 1.172 13.204 1.673 1.00 0.00 O ATOM 87 CB ALA A 9 3.731 14.590 1.631 1.00 0.00 C ATOM 0 H ALA A 9 1.755 16.232 1.886 1.00 0.00 H new ATOM 0 HA ALA A 9 3.056 14.881 -0.379 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.249 13.657 1.410 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.437 15.419 1.577 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.305 14.540 2.633 1.00 0.00 H new ATOM 93 N THR A 10 1.392 13.074 -0.563 1.00 0.00 N ATOM 94 CA THR A 10 0.491 11.936 -0.695 1.00 0.00 C ATOM 95 C THR A 10 1.199 10.631 -0.348 1.00 0.00 C ATOM 96 O THR A 10 2.275 10.339 -0.869 1.00 0.00 O ATOM 97 CB THR A 10 -0.078 11.834 -2.123 1.00 0.00 C ATOM 98 OG1 THR A 10 0.858 12.371 -3.063 1.00 0.00 O ATOM 99 CG2 THR A 10 -1.399 12.581 -2.233 1.00 0.00 C ATOM 0 H THR A 10 1.787 13.404 -1.444 1.00 0.00 H new ATOM 0 HA THR A 10 -0.329 12.098 0.005 1.00 0.00 H new ATOM 0 HB THR A 10 -0.253 10.782 -2.346 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.489 12.301 -3.968 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.782 12.495 -3.250 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.119 12.151 -1.537 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.244 13.632 -1.991 1.00 0.00 H new ATOM 107 N LYS A 11 0.587 9.849 0.535 1.00 0.00 N ATOM 108 CA LYS A 11 1.157 8.573 0.951 1.00 0.00 C ATOM 109 C LYS A 11 0.063 7.609 1.400 1.00 0.00 C ATOM 110 O LYS A 11 -0.992 8.030 1.873 1.00 0.00 O ATOM 111 CB LYS A 11 2.161 8.786 2.087 1.00 0.00 C ATOM 112 CG LYS A 11 3.498 9.335 1.621 1.00 0.00 C ATOM 113 CD LYS A 11 4.541 9.275 2.725 1.00 0.00 C ATOM 114 CE LYS A 11 4.528 10.538 3.573 1.00 0.00 C ATOM 115 NZ LYS A 11 5.484 10.450 4.712 1.00 0.00 N ATOM 0 H LYS A 11 -0.304 10.077 0.976 1.00 0.00 H new ATOM 0 HA LYS A 11 1.672 8.137 0.095 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.731 9.471 2.817 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.325 7.837 2.598 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.846 8.765 0.759 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.374 10.367 1.292 1.00 0.00 H new ATOM 0 HD2 LYS A 11 4.353 8.408 3.358 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.530 9.140 2.286 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.782 11.396 2.951 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.522 10.709 3.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.446 11.329 5.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.227 9.646 5.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.448 10.313 4.346 1.00 0.00 H new ATOM 129 N ALA A 12 0.323 6.315 1.249 1.00 0.00 N ATOM 130 CA ALA A 12 -0.638 5.292 1.642 1.00 0.00 C ATOM 131 C ALA A 12 0.034 4.190 2.453 1.00 0.00 C ATOM 132 O ALA A 12 1.228 3.931 2.297 1.00 0.00 O ATOM 133 CB ALA A 12 -1.317 4.706 0.412 1.00 0.00 C ATOM 0 H ALA A 12 1.191 5.950 0.857 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.394 5.761 2.272 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.032 3.943 0.720 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.839 5.497 -0.127 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.566 4.258 -0.239 1.00 0.00 H new ATOM 139 N ARG A 13 -0.739 3.545 3.321 1.00 0.00 N ATOM 140 CA ARG A 13 -0.217 2.471 4.158 1.00 0.00 C ATOM 141 C ARG A 13 -0.700 1.111 3.663 1.00 0.00 C ATOM 142 O ARG A 13 -1.858 0.956 3.275 1.00 0.00 O ATOM 143 CB ARG A 13 -0.644 2.678 5.613 1.00 0.00 C ATOM 144 CG ARG A 13 0.061 1.753 6.591 1.00 0.00 C ATOM 145 CD ARG A 13 -0.401 1.995 8.019 1.00 0.00 C ATOM 146 NE ARG A 13 -0.049 0.889 8.904 1.00 0.00 N ATOM 147 CZ ARG A 13 -0.776 -0.217 9.024 1.00 0.00 C ATOM 148 NH1 ARG A 13 -1.889 -0.362 8.319 1.00 0.00 N ATOM 149 NH2 ARG A 13 -0.390 -1.180 9.851 1.00 0.00 N ATOM 0 H ARG A 13 -1.729 3.747 3.463 1.00 0.00 H new ATOM 0 HA ARG A 13 0.871 2.493 4.098 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.447 3.712 5.897 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.720 2.525 5.692 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.132 0.716 6.316 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.138 1.905 6.525 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.047 2.915 8.394 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.481 2.139 8.031 1.00 0.00 H new ATOM 0 HE ARG A 13 0.802 0.969 9.461 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.189 0.376 7.682 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.445 -1.212 8.413 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.466 -1.072 10.396 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.949 -2.028 9.942 1.00 0.00 H new ATOM 163 N VAL A 14 0.196 0.129 3.679 1.00 0.00 N ATOM 164 CA VAL A 14 -0.139 -1.218 3.232 1.00 0.00 C ATOM 165 C VAL A 14 -0.831 -2.007 4.338 1.00 0.00 C ATOM 166 O VAL A 14 -0.396 -1.994 5.489 1.00 0.00 O ATOM 167 CB VAL A 14 1.116 -1.986 2.776 1.00 0.00 C ATOM 168 CG1 VAL A 14 0.733 -3.341 2.202 1.00 0.00 C ATOM 169 CG2 VAL A 14 1.900 -1.169 1.760 1.00 0.00 C ATOM 0 H VAL A 14 1.159 0.241 3.996 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.818 -1.112 2.386 1.00 0.00 H new ATOM 0 HB VAL A 14 1.754 -2.153 3.644 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.632 -3.869 1.885 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.218 -3.926 2.964 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.074 -3.200 1.345 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.783 -1.726 1.449 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.272 -0.969 0.892 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.207 -0.225 2.211 1.00 0.00 H new ATOM 179 N MET A 15 -1.910 -2.695 3.979 1.00 0.00 N ATOM 180 CA MET A 15 -2.661 -3.493 4.942 1.00 0.00 C ATOM 181 C MET A 15 -2.342 -4.977 4.785 1.00 0.00 C ATOM 182 O MET A 15 -2.356 -5.730 5.758 1.00 0.00 O ATOM 183 CB MET A 15 -4.163 -3.261 4.766 1.00 0.00 C ATOM 184 CG MET A 15 -4.513 -1.848 4.329 1.00 0.00 C ATOM 185 SD MET A 15 -6.154 -1.338 4.875 1.00 0.00 S ATOM 186 CE MET A 15 -7.108 -1.617 3.385 1.00 0.00 C ATOM 0 H MET A 15 -2.284 -2.716 3.030 1.00 0.00 H new ATOM 0 HA MET A 15 -2.367 -3.181 5.944 1.00 0.00 H new ATOM 0 HB2 MET A 15 -4.547 -3.966 4.029 1.00 0.00 H new ATOM 0 HB3 MET A 15 -4.668 -3.477 5.707 1.00 0.00 H new ATOM 0 HG2 MET A 15 -3.771 -1.155 4.725 1.00 0.00 H new ATOM 0 HG3 MET A 15 -4.460 -1.784 3.242 1.00 0.00 H new ATOM 0 HE1 MET A 15 -8.149 -1.347 3.563 1.00 0.00 H new ATOM 0 HE2 MET A 15 -6.708 -1.005 2.577 1.00 0.00 H new ATOM 0 HE3 MET A 15 -7.049 -2.669 3.107 1.00 0.00 H new ATOM 196 N TYR A 16 -2.055 -5.389 3.555 1.00 0.00 N ATOM 197 CA TYR A 16 -1.736 -6.783 3.271 1.00 0.00 C ATOM 198 C TYR A 16 -0.661 -6.886 2.193 1.00 0.00 C ATOM 199 O TYR A 16 -0.849 -6.426 1.067 1.00 0.00 O ATOM 200 CB TYR A 16 -2.992 -7.536 2.829 1.00 0.00 C ATOM 201 CG TYR A 16 -4.234 -7.143 3.596 1.00 0.00 C ATOM 202 CD1 TYR A 16 -4.423 -7.553 4.910 1.00 0.00 C ATOM 203 CD2 TYR A 16 -5.220 -6.361 3.006 1.00 0.00 C ATOM 204 CE1 TYR A 16 -5.557 -7.197 5.613 1.00 0.00 C ATOM 205 CE2 TYR A 16 -6.357 -6.000 3.702 1.00 0.00 C ATOM 206 CZ TYR A 16 -6.521 -6.421 5.006 1.00 0.00 C ATOM 207 OH TYR A 16 -7.652 -6.063 5.704 1.00 0.00 O ATOM 0 H TYR A 16 -2.037 -4.777 2.739 1.00 0.00 H new ATOM 0 HA TYR A 16 -1.353 -7.236 4.186 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.159 -7.356 1.767 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.825 -8.606 2.948 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.670 -8.161 5.390 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.095 -6.030 1.986 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.688 -7.525 6.634 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.113 -5.392 3.228 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.230 -5.515 5.132 1.00 0.00 H new ATOM 217 N ASP A 17 0.465 -7.495 2.547 1.00 0.00 N ATOM 218 CA ASP A 17 1.571 -7.663 1.611 1.00 0.00 C ATOM 219 C ASP A 17 1.058 -8.054 0.228 1.00 0.00 C ATOM 220 O ASP A 17 0.403 -9.084 0.066 1.00 0.00 O ATOM 221 CB ASP A 17 2.547 -8.722 2.125 1.00 0.00 C ATOM 222 CG ASP A 17 3.065 -8.406 3.514 1.00 0.00 C ATOM 223 OD1 ASP A 17 2.339 -7.739 4.280 1.00 0.00 O ATOM 224 OD2 ASP A 17 4.197 -8.825 3.835 1.00 0.00 O ATOM 0 H ASP A 17 0.636 -7.881 3.476 1.00 0.00 H new ATOM 0 HA ASP A 17 2.093 -6.710 1.529 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.052 -9.693 2.137 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.388 -8.802 1.436 1.00 0.00 H new ATOM 229 N PHE A 18 1.359 -7.225 -0.765 1.00 0.00 N ATOM 230 CA PHE A 18 0.927 -7.483 -2.134 1.00 0.00 C ATOM 231 C PHE A 18 2.106 -7.900 -3.007 1.00 0.00 C ATOM 232 O PHE A 18 2.735 -7.066 -3.659 1.00 0.00 O ATOM 233 CB PHE A 18 0.256 -6.240 -2.723 1.00 0.00 C ATOM 234 CG PHE A 18 -0.284 -6.449 -4.108 1.00 0.00 C ATOM 235 CD1 PHE A 18 -1.285 -7.378 -4.343 1.00 0.00 C ATOM 236 CD2 PHE A 18 0.210 -5.718 -5.176 1.00 0.00 C ATOM 237 CE1 PHE A 18 -1.784 -7.573 -5.617 1.00 0.00 C ATOM 238 CE2 PHE A 18 -0.286 -5.908 -6.452 1.00 0.00 C ATOM 239 CZ PHE A 18 -1.283 -6.838 -6.673 1.00 0.00 C ATOM 0 H PHE A 18 1.900 -6.369 -0.648 1.00 0.00 H new ATOM 0 HA PHE A 18 0.206 -8.301 -2.113 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -0.558 -5.931 -2.067 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.977 -5.423 -2.742 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.680 -7.956 -3.521 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.992 -4.991 -5.010 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.565 -8.300 -5.786 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.106 -5.330 -7.276 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.670 -6.990 -7.670 1.00 0.00 H new ATOM 249 N ALA A 19 2.400 -9.196 -3.015 1.00 0.00 N ATOM 250 CA ALA A 19 3.502 -9.725 -3.809 1.00 0.00 C ATOM 251 C ALA A 19 3.217 -9.594 -5.301 1.00 0.00 C ATOM 252 O ALA A 19 2.737 -10.533 -5.935 1.00 0.00 O ATOM 253 CB ALA A 19 3.764 -11.179 -3.445 1.00 0.00 C ATOM 0 H ALA A 19 1.890 -9.899 -2.480 1.00 0.00 H new ATOM 0 HA ALA A 19 4.393 -9.139 -3.584 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.589 -11.561 -4.046 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.021 -11.249 -2.388 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.869 -11.770 -3.640 1.00 0.00 H new ATOM 259 N ALA A 20 3.515 -8.423 -5.855 1.00 0.00 N ATOM 260 CA ALA A 20 3.291 -8.170 -7.273 1.00 0.00 C ATOM 261 C ALA A 20 3.645 -9.394 -8.111 1.00 0.00 C ATOM 262 O ALA A 20 4.678 -10.027 -7.895 1.00 0.00 O ATOM 263 CB ALA A 20 4.099 -6.964 -7.728 1.00 0.00 C ATOM 0 H ALA A 20 3.912 -7.635 -5.343 1.00 0.00 H new ATOM 0 HA ALA A 20 2.231 -7.958 -7.416 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.922 -6.787 -8.789 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.795 -6.086 -7.158 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.160 -7.154 -7.564 1.00 0.00 H new ATOM 269 N GLU A 21 2.782 -9.720 -9.068 1.00 0.00 N ATOM 270 CA GLU A 21 3.005 -10.870 -9.937 1.00 0.00 C ATOM 271 C GLU A 21 4.211 -10.641 -10.843 1.00 0.00 C ATOM 272 O GLU A 21 4.545 -9.511 -11.202 1.00 0.00 O ATOM 273 CB GLU A 21 1.761 -11.144 -10.785 1.00 0.00 C ATOM 274 CG GLU A 21 0.580 -11.664 -9.983 1.00 0.00 C ATOM 275 CD GLU A 21 0.726 -13.127 -9.610 1.00 0.00 C ATOM 276 OE1 GLU A 21 1.875 -13.614 -9.564 1.00 0.00 O ATOM 277 OE2 GLU A 21 -0.307 -13.783 -9.364 1.00 0.00 O ATOM 0 H GLU A 21 1.923 -9.205 -9.261 1.00 0.00 H new ATOM 0 HA GLU A 21 3.205 -11.737 -9.307 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.468 -10.225 -11.293 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.012 -11.870 -11.559 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.473 -11.071 -9.075 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.334 -11.530 -10.561 1.00 0.00 H new ATOM 284 N PRO A 22 4.883 -11.738 -11.223 1.00 0.00 N ATOM 285 CA PRO A 22 6.062 -11.684 -12.091 1.00 0.00 C ATOM 286 C PRO A 22 5.712 -11.285 -13.521 1.00 0.00 C ATOM 287 O PRO A 22 4.646 -11.630 -14.028 1.00 0.00 O ATOM 288 CB PRO A 22 6.598 -13.117 -12.052 1.00 0.00 C ATOM 289 CG PRO A 22 5.410 -13.957 -11.728 1.00 0.00 C ATOM 290 CD PRO A 22 4.542 -13.117 -10.833 1.00 0.00 C ATOM 0 HA PRO A 22 6.781 -10.936 -11.755 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.036 -13.402 -13.009 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.378 -13.228 -11.299 1.00 0.00 H new ATOM 0 HG2 PRO A 22 4.875 -14.243 -12.634 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.708 -14.879 -11.229 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.484 -13.328 -10.987 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.754 -13.301 -9.780 1.00 0.00 H new ATOM 298 N GLY A 23 6.618 -10.556 -14.166 1.00 0.00 N ATOM 299 CA GLY A 23 6.385 -10.122 -15.531 1.00 0.00 C ATOM 300 C GLY A 23 5.079 -9.369 -15.686 1.00 0.00 C ATOM 301 O GLY A 23 4.328 -9.604 -16.631 1.00 0.00 O ATOM 0 H GLY A 23 7.509 -10.258 -13.768 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.209 -9.484 -15.852 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.380 -10.991 -16.189 1.00 0.00 H new ATOM 305 N ASN A 24 4.806 -8.462 -14.753 1.00 0.00 N ATOM 306 CA ASN A 24 3.580 -7.674 -14.789 1.00 0.00 C ATOM 307 C ASN A 24 3.816 -6.276 -14.226 1.00 0.00 C ATOM 308 O ASN A 24 4.579 -6.098 -13.278 1.00 0.00 O ATOM 309 CB ASN A 24 2.475 -8.375 -13.998 1.00 0.00 C ATOM 310 CG ASN A 24 1.845 -9.517 -14.772 1.00 0.00 C ATOM 311 OD1 ASN A 24 2.521 -10.473 -15.150 1.00 0.00 O ATOM 312 ND2 ASN A 24 0.542 -9.421 -15.012 1.00 0.00 N ATOM 0 H ASN A 24 5.417 -8.255 -13.963 1.00 0.00 H new ATOM 0 HA ASN A 24 3.268 -7.580 -15.829 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.887 -8.757 -13.064 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.705 -7.650 -13.734 1.00 0.00 H new ATOM 0 HD21 ASN A 24 0.063 -10.158 -15.529 1.00 0.00 H new ATOM 0 HD22 ASN A 24 0.021 -8.610 -14.680 1.00 0.00 H new ATOM 319 N ASN A 25 3.153 -5.286 -14.817 1.00 0.00 N ATOM 320 CA ASN A 25 3.290 -3.903 -14.374 1.00 0.00 C ATOM 321 C ASN A 25 2.724 -3.724 -12.968 1.00 0.00 C ATOM 322 O ASN A 25 1.597 -3.260 -12.798 1.00 0.00 O ATOM 323 CB ASN A 25 2.578 -2.961 -15.347 1.00 0.00 C ATOM 324 CG ASN A 25 3.252 -2.916 -16.705 1.00 0.00 C ATOM 325 OD1 ASN A 25 3.302 -3.918 -17.419 1.00 0.00 O ATOM 326 ND2 ASN A 25 3.774 -1.750 -17.068 1.00 0.00 N ATOM 0 H ASN A 25 2.516 -5.416 -15.603 1.00 0.00 H new ATOM 0 HA ASN A 25 4.352 -3.657 -14.353 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.543 -3.282 -15.468 1.00 0.00 H new ATOM 0 HB3 ASN A 25 2.552 -1.957 -14.924 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.240 -1.659 -17.971 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.709 -0.946 -16.444 1.00 0.00 H new ATOM 333 N GLU A 26 3.515 -4.094 -11.966 1.00 0.00 N ATOM 334 CA GLU A 26 3.091 -3.973 -10.576 1.00 0.00 C ATOM 335 C GLU A 26 4.298 -3.870 -9.647 1.00 0.00 C ATOM 336 O GLU A 26 5.381 -4.366 -9.959 1.00 0.00 O ATOM 337 CB GLU A 26 2.227 -5.171 -10.177 1.00 0.00 C ATOM 338 CG GLU A 26 0.867 -5.192 -10.852 1.00 0.00 C ATOM 339 CD GLU A 26 -0.150 -6.022 -10.092 1.00 0.00 C ATOM 340 OE1 GLU A 26 0.006 -7.261 -10.054 1.00 0.00 O ATOM 341 OE2 GLU A 26 -1.099 -5.433 -9.534 1.00 0.00 O ATOM 0 H GLU A 26 4.451 -4.479 -12.090 1.00 0.00 H new ATOM 0 HA GLU A 26 2.501 -3.061 -10.480 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.759 -6.090 -10.423 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.087 -5.163 -9.096 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.498 -4.171 -10.948 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.973 -5.589 -11.862 1.00 0.00 H new ATOM 348 N LEU A 27 4.103 -3.222 -8.503 1.00 0.00 N ATOM 349 CA LEU A 27 5.174 -3.053 -7.528 1.00 0.00 C ATOM 350 C LEU A 27 4.953 -3.951 -6.315 1.00 0.00 C ATOM 351 O LEU A 27 3.825 -4.121 -5.851 1.00 0.00 O ATOM 352 CB LEU A 27 5.260 -1.591 -7.085 1.00 0.00 C ATOM 353 CG LEU A 27 6.322 -1.270 -6.032 1.00 0.00 C ATOM 354 CD1 LEU A 27 7.710 -1.285 -6.652 1.00 0.00 C ATOM 355 CD2 LEU A 27 6.039 0.077 -5.383 1.00 0.00 C ATOM 0 H LEU A 27 3.213 -2.805 -8.229 1.00 0.00 H new ATOM 0 HA LEU A 27 6.113 -3.339 -8.003 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.452 -0.976 -7.965 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.287 -1.293 -6.694 1.00 0.00 H new ATOM 0 HG LEU A 27 6.284 -2.038 -5.259 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.452 -1.054 -5.888 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.912 -2.272 -7.068 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.762 -0.539 -7.445 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.804 0.289 -4.636 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.049 0.857 -6.144 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.061 0.051 -4.903 1.00 0.00 H new ATOM 367 N THR A 28 6.039 -4.524 -5.804 1.00 0.00 N ATOM 368 CA THR A 28 5.965 -5.405 -4.645 1.00 0.00 C ATOM 369 C THR A 28 6.062 -4.613 -3.346 1.00 0.00 C ATOM 370 O THR A 28 7.110 -4.053 -3.025 1.00 0.00 O ATOM 371 CB THR A 28 7.082 -6.464 -4.672 1.00 0.00 C ATOM 372 OG1 THR A 28 7.083 -7.144 -5.932 1.00 0.00 O ATOM 373 CG2 THR A 28 6.901 -7.471 -3.547 1.00 0.00 C ATOM 0 H THR A 28 6.980 -4.393 -6.175 1.00 0.00 H new ATOM 0 HA THR A 28 4.998 -5.907 -4.690 1.00 0.00 H new ATOM 0 HB THR A 28 8.036 -5.956 -4.533 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.798 -7.815 -5.941 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.702 -8.209 -3.587 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.931 -6.954 -2.588 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.940 -7.973 -3.659 1.00 0.00 H new ATOM 381 N VAL A 29 4.962 -4.570 -2.601 1.00 0.00 N ATOM 382 CA VAL A 29 4.923 -3.847 -1.335 1.00 0.00 C ATOM 383 C VAL A 29 4.689 -4.798 -0.167 1.00 0.00 C ATOM 384 O VAL A 29 4.329 -5.960 -0.359 1.00 0.00 O ATOM 385 CB VAL A 29 3.821 -2.771 -1.336 1.00 0.00 C ATOM 386 CG1 VAL A 29 4.060 -1.764 -2.450 1.00 0.00 C ATOM 387 CG2 VAL A 29 2.450 -3.414 -1.472 1.00 0.00 C ATOM 0 H VAL A 29 4.086 -5.027 -2.852 1.00 0.00 H new ATOM 0 HA VAL A 29 5.892 -3.362 -1.217 1.00 0.00 H new ATOM 0 HB VAL A 29 3.855 -2.239 -0.385 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.272 -1.011 -2.435 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.026 -1.281 -2.303 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.054 -2.277 -3.412 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.683 -2.639 -1.471 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.401 -3.972 -2.407 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.282 -4.092 -0.636 1.00 0.00 H new ATOM 397 N THR A 30 4.896 -4.298 1.047 1.00 0.00 N ATOM 398 CA THR A 30 4.708 -5.102 2.248 1.00 0.00 C ATOM 399 C THR A 30 3.807 -4.391 3.251 1.00 0.00 C ATOM 400 O THR A 30 3.651 -3.171 3.202 1.00 0.00 O ATOM 401 CB THR A 30 6.054 -5.426 2.923 1.00 0.00 C ATOM 402 OG1 THR A 30 5.865 -6.413 3.943 1.00 0.00 O ATOM 403 CG2 THR A 30 6.670 -4.174 3.530 1.00 0.00 C ATOM 0 H THR A 30 5.194 -3.339 1.225 1.00 0.00 H new ATOM 0 HA THR A 30 4.234 -6.032 1.935 1.00 0.00 H new ATOM 0 HB THR A 30 6.732 -5.814 2.163 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.382 -7.180 3.570 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.620 -4.427 4.001 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.839 -3.435 2.747 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.993 -3.761 4.278 1.00 0.00 H new ATOM 411 N GLU A 31 3.216 -5.161 4.159 1.00 0.00 N ATOM 412 CA GLU A 31 2.330 -4.603 5.174 1.00 0.00 C ATOM 413 C GLU A 31 3.088 -3.647 6.091 1.00 0.00 C ATOM 414 O GLU A 31 4.036 -4.041 6.769 1.00 0.00 O ATOM 415 CB GLU A 31 1.694 -5.723 6.000 1.00 0.00 C ATOM 416 CG GLU A 31 0.863 -5.221 7.168 1.00 0.00 C ATOM 417 CD GLU A 31 0.678 -6.271 8.246 1.00 0.00 C ATOM 418 OE1 GLU A 31 1.587 -6.423 9.088 1.00 0.00 O ATOM 419 OE2 GLU A 31 -0.376 -6.941 8.247 1.00 0.00 O ATOM 0 H GLU A 31 3.335 -6.173 4.213 1.00 0.00 H new ATOM 0 HA GLU A 31 1.543 -4.045 4.666 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.063 -6.329 5.350 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.481 -6.375 6.379 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.343 -4.343 7.600 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.114 -4.903 6.804 1.00 0.00 H new ATOM 426 N GLY A 32 2.661 -2.388 6.106 1.00 0.00 N ATOM 427 CA GLY A 32 3.310 -1.395 6.942 1.00 0.00 C ATOM 428 C GLY A 32 4.241 -0.493 6.156 1.00 0.00 C ATOM 429 O GLY A 32 4.732 0.507 6.677 1.00 0.00 O ATOM 0 H GLY A 32 1.878 -2.038 5.554 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.551 -0.787 7.435 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.874 -1.898 7.727 1.00 0.00 H new ATOM 433 N GLU A 33 4.485 -0.849 4.898 1.00 0.00 N ATOM 434 CA GLU A 33 5.365 -0.065 4.040 1.00 0.00 C ATOM 435 C GLU A 33 4.667 1.202 3.557 1.00 0.00 C ATOM 436 O GLU A 33 3.537 1.153 3.068 1.00 0.00 O ATOM 437 CB GLU A 33 5.820 -0.899 2.840 1.00 0.00 C ATOM 438 CG GLU A 33 6.498 -0.083 1.753 1.00 0.00 C ATOM 439 CD GLU A 33 7.899 0.352 2.139 1.00 0.00 C ATOM 440 OE1 GLU A 33 8.139 0.582 3.342 1.00 0.00 O ATOM 441 OE2 GLU A 33 8.755 0.462 1.236 1.00 0.00 O ATOM 0 H GLU A 33 4.086 -1.675 4.451 1.00 0.00 H new ATOM 0 HA GLU A 33 6.238 0.223 4.625 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.508 -1.671 3.185 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.956 -1.409 2.414 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.544 -0.672 0.837 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.895 0.798 1.536 1.00 0.00 H new ATOM 448 N ILE A 34 5.346 2.335 3.698 1.00 0.00 N ATOM 449 CA ILE A 34 4.791 3.616 3.275 1.00 0.00 C ATOM 450 C ILE A 34 5.412 4.077 1.961 1.00 0.00 C ATOM 451 O ILE A 34 6.634 4.174 1.841 1.00 0.00 O ATOM 452 CB ILE A 34 5.010 4.704 4.343 1.00 0.00 C ATOM 453 CG1 ILE A 34 4.509 4.220 5.706 1.00 0.00 C ATOM 454 CG2 ILE A 34 4.306 5.990 3.940 1.00 0.00 C ATOM 455 CD1 ILE A 34 3.037 3.872 5.719 1.00 0.00 C ATOM 0 H ILE A 34 6.281 2.393 4.102 1.00 0.00 H new ATOM 0 HA ILE A 34 3.721 3.466 3.135 1.00 0.00 H new ATOM 0 HB ILE A 34 6.078 4.907 4.421 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.084 3.344 6.005 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.698 4.994 6.450 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.470 6.749 4.705 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.706 6.341 2.989 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.237 5.803 3.838 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.751 3.537 6.716 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.453 4.752 5.451 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.845 3.076 5.000 1.00 0.00 H new ATOM 467 N ILE A 35 4.563 4.361 0.980 1.00 0.00 N ATOM 468 CA ILE A 35 5.028 4.816 -0.325 1.00 0.00 C ATOM 469 C ILE A 35 4.300 6.084 -0.757 1.00 0.00 C ATOM 470 O ILE A 35 3.303 6.478 -0.151 1.00 0.00 O ATOM 471 CB ILE A 35 4.832 3.732 -1.401 1.00 0.00 C ATOM 472 CG1 ILE A 35 3.350 3.378 -1.535 1.00 0.00 C ATOM 473 CG2 ILE A 35 5.649 2.494 -1.061 1.00 0.00 C ATOM 474 CD1 ILE A 35 3.015 2.653 -2.820 1.00 0.00 C ATOM 0 H ILE A 35 3.549 4.284 1.063 1.00 0.00 H new ATOM 0 HA ILE A 35 6.092 5.028 -0.225 1.00 0.00 H new ATOM 0 HB ILE A 35 5.181 4.123 -2.357 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.055 2.756 -0.689 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.760 4.293 -1.479 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.500 1.737 -1.831 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.705 2.758 -1.011 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.328 2.099 -0.097 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.948 2.434 -2.847 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.278 3.281 -3.671 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.578 1.721 -2.869 1.00 0.00 H new ATOM 486 N THR A 36 4.803 6.719 -1.811 1.00 0.00 N ATOM 487 CA THR A 36 4.201 7.941 -2.326 1.00 0.00 C ATOM 488 C THR A 36 3.250 7.643 -3.480 1.00 0.00 C ATOM 489 O THR A 36 3.546 6.816 -4.343 1.00 0.00 O ATOM 490 CB THR A 36 5.273 8.938 -2.805 1.00 0.00 C ATOM 491 OG1 THR A 36 6.470 8.777 -2.035 1.00 0.00 O ATOM 492 CG2 THR A 36 4.775 10.370 -2.684 1.00 0.00 C ATOM 0 H THR A 36 5.627 6.406 -2.325 1.00 0.00 H new ATOM 0 HA THR A 36 3.642 8.387 -1.504 1.00 0.00 H new ATOM 0 HB THR A 36 5.485 8.732 -3.854 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.147 9.413 -2.347 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.550 11.055 -3.028 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.881 10.497 -3.294 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.537 10.586 -1.642 1.00 0.00 H new ATOM 500 N VAL A 37 2.107 8.321 -3.489 1.00 0.00 N ATOM 501 CA VAL A 37 1.113 8.129 -4.539 1.00 0.00 C ATOM 502 C VAL A 37 1.380 9.049 -5.724 1.00 0.00 C ATOM 503 O VAL A 37 1.752 10.211 -5.552 1.00 0.00 O ATOM 504 CB VAL A 37 -0.313 8.385 -4.015 1.00 0.00 C ATOM 505 CG1 VAL A 37 -1.345 7.985 -5.058 1.00 0.00 C ATOM 506 CG2 VAL A 37 -0.543 7.637 -2.711 1.00 0.00 C ATOM 0 H VAL A 37 1.846 9.008 -2.782 1.00 0.00 H new ATOM 0 HA VAL A 37 1.192 7.092 -4.864 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.424 9.452 -3.820 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.346 8.173 -4.670 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.191 8.570 -5.965 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.238 6.925 -5.288 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.555 7.829 -2.355 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.414 6.568 -2.877 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.175 7.978 -1.965 1.00 0.00 H new ATOM 516 N THR A 38 1.189 8.524 -6.930 1.00 0.00 N ATOM 517 CA THR A 38 1.410 9.297 -8.145 1.00 0.00 C ATOM 518 C THR A 38 0.151 9.345 -9.003 1.00 0.00 C ATOM 519 O THR A 38 -0.265 10.412 -9.453 1.00 0.00 O ATOM 520 CB THR A 38 2.565 8.714 -8.981 1.00 0.00 C ATOM 521 OG1 THR A 38 2.333 7.323 -9.233 1.00 0.00 O ATOM 522 CG2 THR A 38 3.894 8.889 -8.263 1.00 0.00 C ATOM 0 H THR A 38 0.881 7.565 -7.091 1.00 0.00 H new ATOM 0 HA THR A 38 1.672 10.308 -7.832 1.00 0.00 H new ATOM 0 HB THR A 38 2.608 9.253 -9.928 1.00 0.00 H new ATOM 0 HG1 THR A 38 2.125 6.868 -8.390 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.695 8.470 -8.872 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.081 9.950 -8.098 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.860 8.373 -7.304 1.00 0.00 H new ATOM 530 N ASN A 39 -0.453 8.182 -9.226 1.00 0.00 N ATOM 531 CA ASN A 39 -1.666 8.092 -10.030 1.00 0.00 C ATOM 532 C ASN A 39 -2.789 7.419 -9.247 1.00 0.00 C ATOM 533 O ASN A 39 -3.065 6.230 -9.407 1.00 0.00 O ATOM 534 CB ASN A 39 -1.391 7.316 -11.319 1.00 0.00 C ATOM 535 CG ASN A 39 -2.647 7.095 -12.140 1.00 0.00 C ATOM 536 OD1 ASN A 39 -3.709 7.634 -11.828 1.00 0.00 O ATOM 537 ND2 ASN A 39 -2.531 6.299 -13.197 1.00 0.00 N ATOM 0 H ASN A 39 -0.122 7.289 -8.861 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.981 9.104 -10.283 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -0.660 7.859 -11.918 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -0.947 6.352 -11.072 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.342 6.114 -13.787 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.631 5.873 -13.418 1.00 0.00 H new ATOM 544 N PRO A 40 -3.454 8.197 -8.380 1.00 0.00 N ATOM 545 CA PRO A 40 -4.559 7.698 -7.556 1.00 0.00 C ATOM 546 C PRO A 40 -5.803 7.386 -8.381 1.00 0.00 C ATOM 547 O PRO A 40 -6.710 6.696 -7.917 1.00 0.00 O ATOM 548 CB PRO A 40 -4.833 8.855 -6.592 1.00 0.00 C ATOM 549 CG PRO A 40 -4.354 10.069 -7.311 1.00 0.00 C ATOM 550 CD PRO A 40 -3.180 9.623 -8.138 1.00 0.00 C ATOM 0 HA PRO A 40 -4.306 6.762 -7.059 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.894 8.929 -6.354 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.303 8.719 -5.649 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.140 10.485 -7.941 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.062 10.849 -6.608 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.110 10.183 -9.071 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.238 9.767 -7.609 1.00 0.00 H new ATOM 558 N ASN A 41 -5.838 7.898 -9.607 1.00 0.00 N ATOM 559 CA ASN A 41 -6.971 7.673 -10.497 1.00 0.00 C ATOM 560 C ASN A 41 -6.530 6.957 -11.770 1.00 0.00 C ATOM 561 O ASN A 41 -6.485 7.552 -12.846 1.00 0.00 O ATOM 562 CB ASN A 41 -7.639 9.004 -10.853 1.00 0.00 C ATOM 563 CG ASN A 41 -8.687 9.414 -9.837 1.00 0.00 C ATOM 564 OD1 ASN A 41 -9.444 8.581 -9.338 1.00 0.00 O ATOM 565 ND2 ASN A 41 -8.736 10.704 -9.526 1.00 0.00 N ATOM 0 H ASN A 41 -5.095 8.471 -10.007 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.690 7.040 -9.976 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -6.879 9.782 -10.921 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.102 8.924 -11.836 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -9.421 11.040 -8.849 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -8.089 11.359 -9.964 1.00 0.00 H new ATOM 572 N VAL A 42 -6.206 5.674 -11.638 1.00 0.00 N ATOM 573 CA VAL A 42 -5.770 4.875 -12.777 1.00 0.00 C ATOM 574 C VAL A 42 -6.959 4.416 -13.613 1.00 0.00 C ATOM 575 O VAL A 42 -7.038 4.699 -14.808 1.00 0.00 O ATOM 576 CB VAL A 42 -4.968 3.641 -12.323 1.00 0.00 C ATOM 577 CG1 VAL A 42 -4.307 2.966 -13.514 1.00 0.00 C ATOM 578 CG2 VAL A 42 -3.933 4.033 -11.280 1.00 0.00 C ATOM 0 H VAL A 42 -6.237 5.166 -10.754 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.128 5.513 -13.384 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.657 2.929 -11.869 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.745 2.096 -13.174 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.072 2.649 -14.223 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.630 3.668 -14.000 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.376 3.149 -10.970 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.246 4.764 -11.706 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.434 4.467 -10.415 1.00 0.00 H new ATOM 588 N GLY A 43 -7.884 3.704 -12.976 1.00 0.00 N ATOM 589 CA GLY A 43 -9.058 3.217 -13.677 1.00 0.00 C ATOM 590 C GLY A 43 -9.673 2.005 -13.005 1.00 0.00 C ATOM 591 O GLY A 43 -9.004 0.992 -12.804 1.00 0.00 O ATOM 0 H GLY A 43 -7.841 3.456 -11.988 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.800 4.013 -13.733 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.786 2.962 -14.701 1.00 0.00 H new ATOM 595 N GLY A 44 -10.951 2.110 -12.654 1.00 0.00 N ATOM 596 CA GLY A 44 -11.634 1.007 -12.002 1.00 0.00 C ATOM 597 C GLY A 44 -11.575 1.102 -10.490 1.00 0.00 C ATOM 598 O GLY A 44 -12.602 1.022 -9.816 1.00 0.00 O ATOM 0 H GLY A 44 -11.526 2.938 -12.809 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.676 0.989 -12.322 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.186 0.066 -12.322 1.00 0.00 H new ATOM 602 N GLY A 45 -10.370 1.270 -9.955 1.00 0.00 N ATOM 603 CA GLY A 45 -10.204 1.371 -8.517 1.00 0.00 C ATOM 604 C GLY A 45 -8.801 1.012 -8.069 1.00 0.00 C ATOM 605 O GLY A 45 -8.620 0.348 -7.048 1.00 0.00 O ATOM 0 H GLY A 45 -9.505 1.338 -10.492 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.435 2.387 -8.198 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.919 0.712 -8.025 1.00 0.00 H new ATOM 609 N TRP A 46 -7.808 1.450 -8.833 1.00 0.00 N ATOM 610 CA TRP A 46 -6.414 1.170 -8.509 1.00 0.00 C ATOM 611 C TRP A 46 -5.615 2.462 -8.378 1.00 0.00 C ATOM 612 O TRP A 46 -6.095 3.539 -8.732 1.00 0.00 O ATOM 613 CB TRP A 46 -5.789 0.276 -9.583 1.00 0.00 C ATOM 614 CG TRP A 46 -6.506 -1.028 -9.761 1.00 0.00 C ATOM 615 CD1 TRP A 46 -7.827 -1.203 -10.061 1.00 0.00 C ATOM 616 CD2 TRP A 46 -5.941 -2.339 -9.647 1.00 0.00 C ATOM 617 NE1 TRP A 46 -8.117 -2.544 -10.141 1.00 0.00 N ATOM 618 CE2 TRP A 46 -6.977 -3.261 -9.892 1.00 0.00 C ATOM 619 CE3 TRP A 46 -4.661 -2.822 -9.365 1.00 0.00 C ATOM 620 CZ2 TRP A 46 -6.769 -4.638 -9.862 1.00 0.00 C ATOM 621 CZ3 TRP A 46 -4.457 -4.189 -9.335 1.00 0.00 C ATOM 622 CH2 TRP A 46 -5.506 -5.084 -9.583 1.00 0.00 C ATOM 0 H TRP A 46 -7.942 2.000 -9.681 1.00 0.00 H new ATOM 0 HA TRP A 46 -6.387 0.650 -7.552 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -5.782 0.811 -10.532 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -4.750 0.078 -9.321 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -8.539 -0.405 -10.213 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -9.033 -2.941 -10.352 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -3.846 -2.140 -9.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -7.577 -5.329 -10.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -3.472 -4.574 -9.117 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.314 -6.146 -9.553 1.00 0.00 H new ATOM 633 N LEU A 47 -4.394 2.348 -7.867 1.00 0.00 N ATOM 634 CA LEU A 47 -3.527 3.508 -7.689 1.00 0.00 C ATOM 635 C LEU A 47 -2.064 3.132 -7.897 1.00 0.00 C ATOM 636 O LEU A 47 -1.644 2.026 -7.557 1.00 0.00 O ATOM 637 CB LEU A 47 -3.719 4.103 -6.293 1.00 0.00 C ATOM 638 CG LEU A 47 -3.176 3.274 -5.129 1.00 0.00 C ATOM 639 CD1 LEU A 47 -1.686 3.519 -4.949 1.00 0.00 C ATOM 640 CD2 LEU A 47 -3.930 3.595 -3.847 1.00 0.00 C ATOM 0 H LEU A 47 -3.982 1.464 -7.569 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.801 4.253 -8.436 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.242 5.083 -6.269 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.785 4.264 -6.132 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.325 2.219 -5.359 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.317 2.921 -4.116 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.158 3.237 -5.860 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.513 4.575 -4.742 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.530 2.995 -3.030 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.814 4.653 -3.612 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.988 3.367 -3.980 1.00 0.00 H new ATOM 652 N GLU A 48 -1.293 4.060 -8.455 1.00 0.00 N ATOM 653 CA GLU A 48 0.124 3.825 -8.706 1.00 0.00 C ATOM 654 C GLU A 48 0.988 4.609 -7.722 1.00 0.00 C ATOM 655 O GLU A 48 0.881 5.830 -7.622 1.00 0.00 O ATOM 656 CB GLU A 48 0.482 4.216 -10.141 1.00 0.00 C ATOM 657 CG GLU A 48 1.816 3.659 -10.609 1.00 0.00 C ATOM 658 CD GLU A 48 2.165 4.090 -12.020 1.00 0.00 C ATOM 659 OE1 GLU A 48 1.792 5.217 -12.407 1.00 0.00 O ATOM 660 OE2 GLU A 48 2.813 3.299 -12.738 1.00 0.00 O ATOM 0 H GLU A 48 -1.625 4.981 -8.742 1.00 0.00 H new ATOM 0 HA GLU A 48 0.320 2.762 -8.568 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.303 3.866 -10.811 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.505 5.303 -10.217 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.601 3.987 -9.928 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.788 2.570 -10.562 1.00 0.00 H new ATOM 667 N GLY A 49 1.846 3.896 -6.998 1.00 0.00 N ATOM 668 CA GLY A 49 2.715 4.541 -6.031 1.00 0.00 C ATOM 669 C GLY A 49 4.180 4.241 -6.279 1.00 0.00 C ATOM 670 O GLY A 49 4.525 3.179 -6.799 1.00 0.00 O ATOM 0 H GLY A 49 1.955 2.884 -7.064 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.557 5.619 -6.067 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.445 4.212 -5.028 1.00 0.00 H new ATOM 674 N LYS A 50 5.046 5.178 -5.907 1.00 0.00 N ATOM 675 CA LYS A 50 6.482 5.010 -6.091 1.00 0.00 C ATOM 676 C LYS A 50 7.185 4.828 -4.750 1.00 0.00 C ATOM 677 O LYS A 50 6.705 5.296 -3.719 1.00 0.00 O ATOM 678 CB LYS A 50 7.068 6.218 -6.827 1.00 0.00 C ATOM 679 CG LYS A 50 8.578 6.166 -6.975 1.00 0.00 C ATOM 680 CD LYS A 50 9.040 6.880 -8.234 1.00 0.00 C ATOM 681 CE LYS A 50 9.316 8.352 -7.971 1.00 0.00 C ATOM 682 NZ LYS A 50 10.397 8.543 -6.964 1.00 0.00 N ATOM 0 H LYS A 50 4.777 6.062 -5.476 1.00 0.00 H new ATOM 0 HA LYS A 50 6.644 4.114 -6.690 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.616 6.284 -7.817 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.795 7.127 -6.291 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.046 6.624 -6.104 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.906 5.127 -7.004 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.943 6.402 -8.614 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.279 6.784 -9.008 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.598 8.841 -8.904 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.404 8.835 -7.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.053 9.157 -6.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.673 7.620 -6.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.221 8.986 -7.419 1.00 0.00 H new ATOM 696 N ASN A 51 8.326 4.147 -4.772 1.00 0.00 N ATOM 697 CA ASN A 51 9.096 3.905 -3.558 1.00 0.00 C ATOM 698 C ASN A 51 10.388 4.716 -3.561 1.00 0.00 C ATOM 699 O ASN A 51 10.784 5.266 -4.588 1.00 0.00 O ATOM 700 CB ASN A 51 9.417 2.415 -3.421 1.00 0.00 C ATOM 701 CG ASN A 51 10.066 1.846 -4.668 1.00 0.00 C ATOM 702 OD1 ASN A 51 10.874 2.509 -5.318 1.00 0.00 O ATOM 703 ND2 ASN A 51 9.713 0.612 -5.007 1.00 0.00 N ATOM 0 H ASN A 51 8.738 3.753 -5.618 1.00 0.00 H new ATOM 0 HA ASN A 51 8.492 4.220 -2.707 1.00 0.00 H new ATOM 0 HB2 ASN A 51 10.081 2.266 -2.569 1.00 0.00 H new ATOM 0 HB3 ASN A 51 8.499 1.866 -3.210 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.116 0.176 -5.837 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.039 0.100 -4.438 1.00 0.00 H new ATOM 710 N ASN A 52 11.040 4.786 -2.405 1.00 0.00 N ATOM 711 CA ASN A 52 12.287 5.530 -2.275 1.00 0.00 C ATOM 712 C ASN A 52 13.259 5.164 -3.393 1.00 0.00 C ATOM 713 O ASN A 52 14.004 6.011 -3.886 1.00 0.00 O ATOM 714 CB ASN A 52 12.931 5.253 -0.915 1.00 0.00 C ATOM 715 CG ASN A 52 12.010 5.594 0.241 1.00 0.00 C ATOM 716 OD1 ASN A 52 10.788 5.492 0.126 1.00 0.00 O ATOM 717 ND2 ASN A 52 12.593 6.002 1.362 1.00 0.00 N ATOM 0 H ASN A 52 10.725 4.337 -1.545 1.00 0.00 H new ATOM 0 HA ASN A 52 12.056 6.592 -2.352 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.210 4.201 -0.856 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.850 5.832 -0.827 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.024 6.246 2.173 1.00 0.00 H new ATOM 0 HD22 ASN A 52 13.609 6.071 1.412 1.00 0.00 H new ATOM 724 N LYS A 53 13.244 3.896 -3.791 1.00 0.00 N ATOM 725 CA LYS A 53 14.121 3.416 -4.852 1.00 0.00 C ATOM 726 C LYS A 53 13.877 4.183 -6.148 1.00 0.00 C ATOM 727 O LYS A 53 14.819 4.591 -6.826 1.00 0.00 O ATOM 728 CB LYS A 53 13.903 1.919 -5.084 1.00 0.00 C ATOM 729 CG LYS A 53 14.799 1.035 -4.234 1.00 0.00 C ATOM 730 CD LYS A 53 16.108 0.725 -4.941 1.00 0.00 C ATOM 731 CE LYS A 53 17.173 1.763 -4.622 1.00 0.00 C ATOM 732 NZ LYS A 53 17.369 1.925 -3.154 1.00 0.00 N ATOM 0 H LYS A 53 12.633 3.182 -3.394 1.00 0.00 H new ATOM 0 HA LYS A 53 15.152 3.583 -4.540 1.00 0.00 H new ATOM 0 HB2 LYS A 53 12.862 1.675 -4.874 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.077 1.694 -6.136 1.00 0.00 H new ATOM 0 HG2 LYS A 53 15.005 1.530 -3.285 1.00 0.00 H new ATOM 0 HG3 LYS A 53 14.280 0.105 -4.002 1.00 0.00 H new ATOM 0 HD2 LYS A 53 16.460 -0.262 -4.642 1.00 0.00 H new ATOM 0 HD3 LYS A 53 15.942 0.691 -6.018 1.00 0.00 H new ATOM 0 HE2 LYS A 53 18.116 1.470 -5.084 1.00 0.00 H new ATOM 0 HE3 LYS A 53 16.889 2.721 -5.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 18.349 2.217 -2.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 16.716 2.651 -2.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 17.179 1.021 -2.676 1.00 0.00 H new ATOM 746 N GLY A 54 12.605 4.378 -6.485 1.00 0.00 N ATOM 747 CA GLY A 54 12.261 5.096 -7.698 1.00 0.00 C ATOM 748 C GLY A 54 11.412 4.268 -8.642 1.00 0.00 C ATOM 749 O GLY A 54 11.140 4.683 -9.768 1.00 0.00 O ATOM 0 H GLY A 54 11.807 4.051 -5.939 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.724 6.008 -7.437 1.00 0.00 H new ATOM 0 HA3 GLY A 54 13.175 5.400 -8.208 1.00 0.00 H new ATOM 753 N GLU A 55 10.994 3.093 -8.182 1.00 0.00 N ATOM 754 CA GLU A 55 10.174 2.203 -8.996 1.00 0.00 C ATOM 755 C GLU A 55 8.729 2.195 -8.504 1.00 0.00 C ATOM 756 O GLU A 55 8.465 1.947 -7.328 1.00 0.00 O ATOM 757 CB GLU A 55 10.741 0.783 -8.969 1.00 0.00 C ATOM 758 CG GLU A 55 12.140 0.675 -9.554 1.00 0.00 C ATOM 759 CD GLU A 55 12.140 0.681 -11.070 1.00 0.00 C ATOM 760 OE1 GLU A 55 11.390 -0.119 -11.667 1.00 0.00 O ATOM 761 OE2 GLU A 55 12.892 1.485 -11.659 1.00 0.00 O ATOM 0 H GLU A 55 11.209 2.735 -7.251 1.00 0.00 H new ATOM 0 HA GLU A 55 10.190 2.572 -10.021 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.759 0.427 -7.939 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.073 0.123 -9.523 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.747 1.505 -9.191 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.609 -0.242 -9.198 1.00 0.00 H new ATOM 768 N GLN A 56 7.799 2.468 -9.414 1.00 0.00 N ATOM 769 CA GLN A 56 6.382 2.493 -9.072 1.00 0.00 C ATOM 770 C GLN A 56 5.630 1.375 -9.787 1.00 0.00 C ATOM 771 O GLN A 56 6.119 0.811 -10.764 1.00 0.00 O ATOM 772 CB GLN A 56 5.772 3.848 -9.436 1.00 0.00 C ATOM 773 CG GLN A 56 5.598 4.055 -10.932 1.00 0.00 C ATOM 774 CD GLN A 56 6.837 4.628 -11.591 1.00 0.00 C ATOM 775 OE1 GLN A 56 7.435 4.002 -12.466 1.00 0.00 O ATOM 776 NE2 GLN A 56 7.230 5.825 -11.171 1.00 0.00 N ATOM 0 H GLN A 56 8.001 2.675 -10.392 1.00 0.00 H new ATOM 0 HA GLN A 56 6.290 2.338 -7.997 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.801 3.943 -8.949 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.406 4.641 -9.039 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.350 3.102 -11.400 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.756 4.725 -11.107 1.00 0.00 H new ATOM 0 HE21 GLN A 56 6.704 6.308 -10.443 1.00 0.00 H new ATOM 0 HE22 GLN A 56 8.058 6.261 -11.577 1.00 0.00 H new ATOM 785 N GLY A 57 4.437 1.061 -9.292 1.00 0.00 N ATOM 786 CA GLY A 57 3.637 0.011 -9.896 1.00 0.00 C ATOM 787 C GLY A 57 2.162 0.148 -9.574 1.00 0.00 C ATOM 788 O GLY A 57 1.780 0.916 -8.690 1.00 0.00 O ATOM 0 H GLY A 57 4.010 1.514 -8.484 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.773 0.031 -10.977 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.993 -0.959 -9.548 1.00 0.00 H new ATOM 792 N LEU A 58 1.329 -0.596 -10.294 1.00 0.00 N ATOM 793 CA LEU A 58 -0.114 -0.552 -10.082 1.00 0.00 C ATOM 794 C LEU A 58 -0.516 -1.425 -8.897 1.00 0.00 C ATOM 795 O LEU A 58 -0.153 -2.599 -8.825 1.00 0.00 O ATOM 796 CB LEU A 58 -0.848 -1.013 -11.342 1.00 0.00 C ATOM 797 CG LEU A 58 -0.709 -0.110 -12.568 1.00 0.00 C ATOM 798 CD1 LEU A 58 -1.510 -0.667 -13.735 1.00 0.00 C ATOM 799 CD2 LEU A 58 -1.156 1.307 -12.240 1.00 0.00 C ATOM 0 H LEU A 58 1.628 -1.237 -11.029 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.394 0.478 -9.863 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.487 -2.007 -11.605 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.908 -1.111 -11.106 1.00 0.00 H new ATOM 0 HG LEU A 58 0.342 -0.081 -12.856 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.399 -0.011 -14.598 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.143 -1.662 -13.986 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.563 -0.727 -13.458 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.050 1.936 -13.124 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.200 1.296 -11.926 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.539 1.706 -11.435 1.00 0.00 H new ATOM 811 N VAL A 59 -1.271 -0.843 -7.970 1.00 0.00 N ATOM 812 CA VAL A 59 -1.726 -1.568 -6.790 1.00 0.00 C ATOM 813 C VAL A 59 -3.190 -1.264 -6.489 1.00 0.00 C ATOM 814 O VAL A 59 -3.646 -0.125 -6.588 1.00 0.00 O ATOM 815 CB VAL A 59 -0.877 -1.218 -5.554 1.00 0.00 C ATOM 816 CG1 VAL A 59 -1.419 -1.918 -4.317 1.00 0.00 C ATOM 817 CG2 VAL A 59 0.581 -1.585 -5.788 1.00 0.00 C ATOM 0 H VAL A 59 -1.580 0.128 -8.014 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.615 -2.630 -7.009 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.936 -0.142 -5.388 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.806 -1.658 -3.454 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.447 -1.601 -4.141 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.393 -2.997 -4.469 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.167 -1.331 -4.904 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.660 -2.655 -5.981 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.962 -1.033 -6.647 1.00 0.00 H new ATOM 827 N PRO A 60 -3.945 -2.307 -6.112 1.00 0.00 N ATOM 828 CA PRO A 60 -5.369 -2.177 -5.788 1.00 0.00 C ATOM 829 C PRO A 60 -5.600 -1.414 -4.488 1.00 0.00 C ATOM 830 O PRO A 60 -4.990 -1.715 -3.462 1.00 0.00 O ATOM 831 CB PRO A 60 -5.834 -3.628 -5.646 1.00 0.00 C ATOM 832 CG PRO A 60 -4.605 -4.385 -5.277 1.00 0.00 C ATOM 833 CD PRO A 60 -3.467 -3.693 -5.973 1.00 0.00 C ATOM 0 HA PRO A 60 -5.910 -1.614 -6.548 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.603 -3.724 -4.880 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.263 -3.999 -6.577 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -4.458 -4.388 -4.197 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.679 -5.426 -5.591 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.548 -3.745 -5.389 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.255 -4.144 -6.942 1.00 0.00 H new ATOM 841 N THR A 61 -6.486 -0.424 -4.538 1.00 0.00 N ATOM 842 CA THR A 61 -6.797 0.383 -3.365 1.00 0.00 C ATOM 843 C THR A 61 -7.315 -0.484 -2.223 1.00 0.00 C ATOM 844 O THR A 61 -7.221 -0.109 -1.055 1.00 0.00 O ATOM 845 CB THR A 61 -7.845 1.465 -3.689 1.00 0.00 C ATOM 846 OG1 THR A 61 -9.105 0.852 -3.987 1.00 0.00 O ATOM 847 CG2 THR A 61 -7.398 2.316 -4.868 1.00 0.00 C ATOM 0 H THR A 61 -7.001 -0.162 -5.379 1.00 0.00 H new ATOM 0 HA THR A 61 -5.869 0.866 -3.059 1.00 0.00 H new ATOM 0 HB THR A 61 -7.952 2.109 -2.816 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.138 0.618 -4.938 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.154 3.073 -5.078 1.00 0.00 H new ATOM 0 HG22 THR A 61 -6.453 2.804 -4.627 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.266 1.682 -5.745 1.00 0.00 H new ATOM 855 N ASP A 62 -7.861 -1.645 -2.569 1.00 0.00 N ATOM 856 CA ASP A 62 -8.392 -2.567 -1.571 1.00 0.00 C ATOM 857 C ASP A 62 -7.274 -3.124 -0.696 1.00 0.00 C ATOM 858 O ASP A 62 -7.506 -3.529 0.443 1.00 0.00 O ATOM 859 CB ASP A 62 -9.142 -3.712 -2.253 1.00 0.00 C ATOM 860 CG ASP A 62 -9.985 -3.238 -3.421 1.00 0.00 C ATOM 861 OD1 ASP A 62 -10.370 -2.051 -3.430 1.00 0.00 O ATOM 862 OD2 ASP A 62 -10.261 -4.056 -4.324 1.00 0.00 O ATOM 0 H ASP A 62 -7.947 -1.970 -3.532 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.085 -2.016 -0.935 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.425 -4.454 -2.604 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.783 -4.208 -1.524 1.00 0.00 H new ATOM 867 N TYR A 63 -6.060 -3.143 -1.237 1.00 0.00 N ATOM 868 CA TYR A 63 -4.906 -3.654 -0.507 1.00 0.00 C ATOM 869 C TYR A 63 -4.226 -2.541 0.285 1.00 0.00 C ATOM 870 O TYR A 63 -3.656 -2.780 1.350 1.00 0.00 O ATOM 871 CB TYR A 63 -3.907 -4.292 -1.473 1.00 0.00 C ATOM 872 CG TYR A 63 -4.275 -5.701 -1.881 1.00 0.00 C ATOM 873 CD1 TYR A 63 -5.392 -5.947 -2.670 1.00 0.00 C ATOM 874 CD2 TYR A 63 -3.506 -6.785 -1.479 1.00 0.00 C ATOM 875 CE1 TYR A 63 -5.733 -7.232 -3.045 1.00 0.00 C ATOM 876 CE2 TYR A 63 -3.838 -8.074 -1.850 1.00 0.00 C ATOM 877 CZ TYR A 63 -4.952 -8.292 -2.633 1.00 0.00 C ATOM 878 OH TYR A 63 -5.287 -9.574 -3.005 1.00 0.00 O ATOM 0 H TYR A 63 -5.850 -2.810 -2.178 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.257 -4.411 0.194 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.831 -3.672 -2.366 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.921 -4.303 -1.008 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -6.004 -5.119 -2.996 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.633 -6.618 -0.866 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -6.606 -7.406 -3.657 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -3.229 -8.906 -1.529 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.634 -10.204 -2.633 1.00 0.00 H new ATOM 888 N VAL A 64 -4.291 -1.323 -0.244 1.00 0.00 N ATOM 889 CA VAL A 64 -3.684 -0.172 0.413 1.00 0.00 C ATOM 890 C VAL A 64 -4.631 1.023 0.415 1.00 0.00 C ATOM 891 O VAL A 64 -5.158 1.410 -0.628 1.00 0.00 O ATOM 892 CB VAL A 64 -2.365 0.234 -0.272 1.00 0.00 C ATOM 893 CG1 VAL A 64 -1.560 -0.999 -0.655 1.00 0.00 C ATOM 894 CG2 VAL A 64 -2.643 1.099 -1.492 1.00 0.00 C ATOM 0 H VAL A 64 -4.758 -1.108 -1.125 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.475 -0.468 1.441 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.775 0.819 0.433 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.632 -0.692 -1.137 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.330 -1.576 0.241 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.141 -1.613 -1.343 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.700 1.377 -1.964 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.254 0.541 -2.202 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.175 2.000 -1.186 1.00 0.00 H new ATOM 904 N GLU A 65 -4.841 1.603 1.592 1.00 0.00 N ATOM 905 CA GLU A 65 -5.726 2.754 1.729 1.00 0.00 C ATOM 906 C GLU A 65 -4.927 4.023 2.012 1.00 0.00 C ATOM 907 O GLU A 65 -4.258 4.132 3.040 1.00 0.00 O ATOM 908 CB GLU A 65 -6.740 2.516 2.849 1.00 0.00 C ATOM 909 CG GLU A 65 -7.640 3.709 3.119 1.00 0.00 C ATOM 910 CD GLU A 65 -8.864 3.731 2.224 1.00 0.00 C ATOM 911 OE1 GLU A 65 -9.581 2.710 2.173 1.00 0.00 O ATOM 912 OE2 GLU A 65 -9.105 4.771 1.575 1.00 0.00 O ATOM 0 H GLU A 65 -4.411 1.295 2.464 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.260 2.883 0.788 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.358 1.656 2.591 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.205 2.261 3.764 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.957 3.691 4.162 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.072 4.628 2.974 1.00 0.00 H new ATOM 919 N ILE A 66 -5.002 4.980 1.093 1.00 0.00 N ATOM 920 CA ILE A 66 -4.287 6.241 1.244 1.00 0.00 C ATOM 921 C ILE A 66 -4.713 6.965 2.517 1.00 0.00 C ATOM 922 O ILE A 66 -5.899 7.031 2.840 1.00 0.00 O ATOM 923 CB ILE A 66 -4.521 7.169 0.037 1.00 0.00 C ATOM 924 CG1 ILE A 66 -3.981 6.524 -1.241 1.00 0.00 C ATOM 925 CG2 ILE A 66 -3.866 8.521 0.273 1.00 0.00 C ATOM 926 CD1 ILE A 66 -4.545 7.129 -2.508 1.00 0.00 C ATOM 0 H ILE A 66 -5.551 4.906 0.236 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.226 5.997 1.304 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.593 7.324 -0.082 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.895 6.618 -1.255 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.208 5.458 -1.224 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.040 9.165 -0.589 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.294 8.982 1.163 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.794 8.386 0.414 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.118 6.623 -3.374 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.629 7.011 -2.516 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.295 8.189 -2.548 1.00 0.00 H new ATOM 938 N LEU A 67 -3.736 7.508 3.236 1.00 0.00 N ATOM 939 CA LEU A 67 -4.009 8.230 4.474 1.00 0.00 C ATOM 940 C LEU A 67 -4.469 9.655 4.183 1.00 0.00 C ATOM 941 O LEU A 67 -4.009 10.303 3.243 1.00 0.00 O ATOM 942 CB LEU A 67 -2.761 8.255 5.358 1.00 0.00 C ATOM 943 CG LEU A 67 -2.128 6.898 5.665 1.00 0.00 C ATOM 944 CD1 LEU A 67 -0.729 7.077 6.233 1.00 0.00 C ATOM 945 CD2 LEU A 67 -3.001 6.109 6.630 1.00 0.00 C ATOM 0 H LEU A 67 -2.749 7.462 2.983 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.809 7.710 5.000 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.011 8.882 4.876 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.019 8.735 6.302 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.050 6.336 4.734 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.295 6.100 6.445 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.106 7.601 5.508 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.782 7.658 7.154 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.535 5.146 6.838 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.111 6.667 7.560 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.983 5.949 6.185 1.00 0.00 H new ATOM 957 N PRO A 68 -5.398 10.157 5.010 1.00 0.00 N ATOM 958 CA PRO A 68 -5.939 11.512 4.864 1.00 0.00 C ATOM 959 C PRO A 68 -4.912 12.586 5.206 1.00 0.00 C ATOM 960 O PRO A 68 -3.726 12.299 5.356 1.00 0.00 O ATOM 961 CB PRO A 68 -7.098 11.541 5.863 1.00 0.00 C ATOM 962 CG PRO A 68 -6.741 10.519 6.886 1.00 0.00 C ATOM 963 CD PRO A 68 -5.992 9.442 6.152 1.00 0.00 C ATOM 0 HA PRO A 68 -6.239 11.723 3.837 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.210 12.528 6.312 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.045 11.302 5.378 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.126 10.954 7.674 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.634 10.117 7.364 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.228 8.984 6.781 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.656 8.643 5.824 1.00 0.00 H new ATOM 971 N ASN A 69 -5.378 13.825 5.330 1.00 0.00 N ATOM 972 CA ASN A 69 -4.499 14.943 5.655 1.00 0.00 C ATOM 973 C ASN A 69 -4.969 15.654 6.921 1.00 0.00 C ATOM 974 O ASN A 69 -5.666 16.667 6.853 1.00 0.00 O ATOM 975 CB ASN A 69 -4.446 15.933 4.490 1.00 0.00 C ATOM 976 CG ASN A 69 -4.078 15.264 3.180 1.00 0.00 C ATOM 977 OD1 ASN A 69 -3.475 14.191 3.165 1.00 0.00 O ATOM 978 ND2 ASN A 69 -4.441 15.898 2.070 1.00 0.00 N ATOM 0 H ASN A 69 -6.358 14.080 5.210 1.00 0.00 H new ATOM 0 HA ASN A 69 -3.499 14.547 5.832 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.415 16.420 4.386 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.719 16.714 4.713 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -4.221 15.497 1.158 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.940 16.786 2.130 1.00 0.00 H new ATOM 985 N ASP A 70 -4.583 15.116 8.073 1.00 0.00 N ATOM 986 CA ASP A 70 -4.963 15.700 9.354 1.00 0.00 C ATOM 987 C ASP A 70 -3.864 15.496 10.392 1.00 0.00 C ATOM 988 O ASP A 70 -2.985 14.651 10.222 1.00 0.00 O ATOM 989 CB ASP A 70 -6.272 15.084 9.851 1.00 0.00 C ATOM 990 CG ASP A 70 -6.497 15.319 11.331 1.00 0.00 C ATOM 991 OD1 ASP A 70 -6.756 16.479 11.715 1.00 0.00 O ATOM 992 OD2 ASP A 70 -6.414 14.344 12.107 1.00 0.00 O ATOM 0 H ASP A 70 -4.008 14.277 8.146 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.106 16.771 9.209 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.105 15.505 9.288 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.264 14.012 9.653 1.00 0.00 H new ATOM 997 N GLY A 71 -3.920 16.276 11.467 1.00 0.00 N ATOM 998 CA GLY A 71 -2.923 16.165 12.516 1.00 0.00 C ATOM 999 C GLY A 71 -1.528 16.501 12.027 1.00 0.00 C ATOM 1000 O GLY A 71 -1.265 16.496 10.824 1.00 0.00 O ATOM 0 H GLY A 71 -4.637 16.982 11.630 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.188 16.832 13.337 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.931 15.150 12.915 1.00 0.00 H new ATOM 1004 N LYS A 72 -0.630 16.795 12.961 1.00 0.00 N ATOM 1005 CA LYS A 72 0.747 17.135 12.621 1.00 0.00 C ATOM 1006 C LYS A 72 1.543 15.884 12.261 1.00 0.00 C ATOM 1007 O LYS A 72 1.785 15.026 13.110 1.00 0.00 O ATOM 1008 CB LYS A 72 1.418 17.862 13.788 1.00 0.00 C ATOM 1009 CG LYS A 72 2.619 18.696 13.375 1.00 0.00 C ATOM 1010 CD LYS A 72 3.065 19.623 14.494 1.00 0.00 C ATOM 1011 CE LYS A 72 4.280 20.441 14.087 1.00 0.00 C ATOM 1012 NZ LYS A 72 3.947 21.448 13.042 1.00 0.00 N ATOM 0 H LYS A 72 -0.831 16.805 13.961 1.00 0.00 H new ATOM 0 HA LYS A 72 0.729 17.795 11.753 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.686 18.509 14.271 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.734 17.128 14.529 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.442 18.038 13.097 1.00 0.00 H new ATOM 0 HG3 LYS A 72 2.369 19.284 12.492 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.247 20.292 14.762 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.300 19.036 15.382 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.687 20.947 14.962 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.058 19.775 13.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.775 22.052 12.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.680 20.961 12.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.153 22.036 13.367 1.00 0.00 H new ATOM 1026 N ASP A 73 1.949 15.789 11.000 1.00 0.00 N ATOM 1027 CA ASP A 73 2.720 14.645 10.530 1.00 0.00 C ATOM 1028 C ASP A 73 4.137 15.064 10.150 1.00 0.00 C ATOM 1029 O ASP A 73 4.369 16.153 9.625 1.00 0.00 O ATOM 1030 CB ASP A 73 2.029 13.994 9.330 1.00 0.00 C ATOM 1031 CG ASP A 73 3.011 13.326 8.388 1.00 0.00 C ATOM 1032 OD1 ASP A 73 3.552 14.023 7.505 1.00 0.00 O ATOM 1033 OD2 ASP A 73 3.237 12.106 8.534 1.00 0.00 O ATOM 0 H ASP A 73 1.757 16.491 10.285 1.00 0.00 H new ATOM 0 HA ASP A 73 2.779 13.920 11.342 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.311 13.255 9.685 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.465 14.751 8.785 1.00 0.00 H new ATOM 1038 N PRO A 74 5.109 14.180 10.421 1.00 0.00 N ATOM 1039 CA PRO A 74 6.520 14.436 10.117 1.00 0.00 C ATOM 1040 C PRO A 74 6.800 14.431 8.618 1.00 0.00 C ATOM 1041 O PRO A 74 6.304 13.574 7.887 1.00 0.00 O ATOM 1042 CB PRO A 74 7.247 13.275 10.800 1.00 0.00 C ATOM 1043 CG PRO A 74 6.235 12.183 10.870 1.00 0.00 C ATOM 1044 CD PRO A 74 4.905 12.862 11.046 1.00 0.00 C ATOM 0 HA PRO A 74 6.839 15.419 10.463 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.123 12.967 10.230 1.00 0.00 H new ATOM 0 HB3 PRO A 74 7.596 13.556 11.794 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.248 11.580 9.962 1.00 0.00 H new ATOM 0 HG3 PRO A 74 6.443 11.511 11.702 1.00 0.00 H new ATOM 0 HD2 PRO A 74 4.103 12.307 10.560 1.00 0.00 H new ATOM 0 HD3 PRO A 74 4.637 12.954 12.099 1.00 0.00 H new ATOM 1052 N PHE A 75 7.597 15.394 8.166 1.00 0.00 N ATOM 1053 CA PHE A 75 7.942 15.501 6.754 1.00 0.00 C ATOM 1054 C PHE A 75 9.034 16.545 6.538 1.00 0.00 C ATOM 1055 O PHE A 75 8.857 17.719 6.862 1.00 0.00 O ATOM 1056 CB PHE A 75 6.704 15.864 5.930 1.00 0.00 C ATOM 1057 CG PHE A 75 6.311 17.309 6.043 1.00 0.00 C ATOM 1058 CD1 PHE A 75 5.847 17.823 7.243 1.00 0.00 C ATOM 1059 CD2 PHE A 75 6.406 18.154 4.949 1.00 0.00 C ATOM 1060 CE1 PHE A 75 5.485 19.152 7.351 1.00 0.00 C ATOM 1061 CE2 PHE A 75 6.046 19.484 5.051 1.00 0.00 C ATOM 1062 CZ PHE A 75 5.583 19.984 6.252 1.00 0.00 C ATOM 0 H PHE A 75 8.016 16.111 8.758 1.00 0.00 H new ATOM 0 HA PHE A 75 8.319 14.533 6.424 1.00 0.00 H new ATOM 0 HB2 PHE A 75 6.893 15.628 4.883 1.00 0.00 H new ATOM 0 HB3 PHE A 75 5.868 15.242 6.251 1.00 0.00 H new ATOM 0 HD1 PHE A 75 5.767 17.177 8.105 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.765 17.769 4.006 1.00 0.00 H new ATOM 0 HE1 PHE A 75 5.126 19.540 8.293 1.00 0.00 H new ATOM 0 HE2 PHE A 75 6.127 20.133 4.191 1.00 0.00 H new ATOM 0 HZ PHE A 75 5.298 21.023 6.332 1.00 0.00 H new ATOM 1072 N SER A 76 10.162 16.108 5.989 1.00 0.00 N ATOM 1073 CA SER A 76 11.285 17.002 5.733 1.00 0.00 C ATOM 1074 C SER A 76 12.140 16.486 4.580 1.00 0.00 C ATOM 1075 O SER A 76 12.205 15.281 4.333 1.00 0.00 O ATOM 1076 CB SER A 76 12.142 17.151 6.992 1.00 0.00 C ATOM 1077 OG SER A 76 13.404 17.719 6.685 1.00 0.00 O ATOM 0 H SER A 76 10.323 15.139 5.713 1.00 0.00 H new ATOM 0 HA SER A 76 10.885 17.977 5.456 1.00 0.00 H new ATOM 0 HB2 SER A 76 11.624 17.779 7.717 1.00 0.00 H new ATOM 0 HB3 SER A 76 12.282 16.176 7.458 1.00 0.00 H new ATOM 0 HG SER A 76 13.932 17.806 7.506 1.00 0.00 H new ATOM 1083 N CYS A 77 12.793 17.405 3.878 1.00 0.00 N ATOM 1084 CA CYS A 77 13.644 17.044 2.750 1.00 0.00 C ATOM 1085 C CYS A 77 15.106 16.959 3.177 1.00 0.00 C ATOM 1086 O CYS A 77 15.804 17.970 3.239 1.00 0.00 O ATOM 1087 CB CYS A 77 13.489 18.064 1.621 1.00 0.00 C ATOM 1088 SG CYS A 77 14.387 17.636 0.111 1.00 0.00 S ATOM 0 H CYS A 77 12.750 18.406 4.070 1.00 0.00 H new ATOM 0 HA CYS A 77 13.332 16.064 2.390 1.00 0.00 H new ATOM 0 HB2 CYS A 77 12.430 18.169 1.384 1.00 0.00 H new ATOM 0 HB3 CYS A 77 13.835 19.036 1.974 1.00 0.00 H new ATOM 0 HG CYS A 77 14.193 18.557 -0.785 1.00 0.00 H new TER 1094 CYS A 77