USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 366 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 16 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -108:sc= 0.00815 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 158:sc= 0.0241 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot -102:sc= 0.856 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot -20:sc= 0.0385 USER MOD Single : A 40 SER OG : rot 24:sc= 0.0408 USER MOD Single : A 41 ASN :FLIP amide:sc= -0.467 F(o=-1.7,f=-0.47) USER MOD Single : A 42 ASN : amide:sc= -0.166 X(o=-0.17,f=0) USER MOD Single : A 46 ASN : amide:sc= -0.219 K(o=-0.22,f=-2.2!) USER MOD Single : A 47 LYS NZ :NH3+ 126:sc= -0.115 (180deg=-0.591) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 91:sc= 0.41 USER MOD Single : A 55 LYS NZ :NH3+ -108:sc= 0.00673 (180deg=-0.579) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.104 -0.860 6.005 1.00 0.00 N ATOM 2 CA GLY A 1 -19.988 -0.690 7.143 1.00 0.00 C ATOM 3 C GLY A 1 -20.852 -1.911 7.394 1.00 0.00 C ATOM 4 O GLY A 1 -21.623 -2.323 6.527 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.535 0.001 5.875 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.473 -1.669 6.173 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.669 -1.034 5.149 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.394 -0.480 8.032 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.628 0.176 6.976 1.00 0.00 H new ATOM 8 N SER A 2 -20.721 -2.492 8.582 1.00 0.00 N ATOM 9 CA SER A 2 -21.492 -3.677 8.942 1.00 0.00 C ATOM 10 C SER A 2 -22.899 -3.294 9.390 1.00 0.00 C ATOM 11 O SER A 2 -23.625 -4.109 9.960 1.00 0.00 O ATOM 12 CB SER A 2 -20.784 -4.453 10.055 1.00 0.00 C ATOM 13 OG SER A 2 -20.954 -3.815 11.309 1.00 0.00 O ATOM 0 H SER A 2 -20.089 -2.162 9.311 1.00 0.00 H new ATOM 0 HA SER A 2 -21.570 -4.311 8.059 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.179 -5.468 10.103 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.721 -4.535 9.826 1.00 0.00 H new ATOM 0 HG SER A 2 -20.494 -4.331 12.004 1.00 0.00 H new ATOM 19 N SER A 3 -23.278 -2.047 9.127 1.00 0.00 N ATOM 20 CA SER A 3 -24.597 -1.553 9.505 1.00 0.00 C ATOM 21 C SER A 3 -25.627 -1.874 8.427 1.00 0.00 C ATOM 22 O SER A 3 -26.623 -2.550 8.685 1.00 0.00 O ATOM 23 CB SER A 3 -24.549 -0.043 9.748 1.00 0.00 C ATOM 24 OG SER A 3 -25.568 0.361 10.646 1.00 0.00 O ATOM 0 H SER A 3 -22.690 -1.361 8.654 1.00 0.00 H new ATOM 0 HA SER A 3 -24.894 -2.053 10.427 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.574 0.233 10.151 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.664 0.485 8.801 1.00 0.00 H new ATOM 0 HG SER A 3 -25.515 1.329 10.786 1.00 0.00 H new ATOM 30 N GLY A 4 -25.380 -1.384 7.216 1.00 0.00 N ATOM 31 CA GLY A 4 -26.294 -1.628 6.116 1.00 0.00 C ATOM 32 C GLY A 4 -25.650 -1.393 4.764 1.00 0.00 C ATOM 33 O GLY A 4 -25.473 -0.249 4.344 1.00 0.00 O ATOM 0 H GLY A 4 -24.563 -0.822 6.977 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -26.656 -2.655 6.169 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -27.163 -0.978 6.219 1.00 0.00 H new ATOM 37 N SER A 5 -25.298 -2.477 4.081 1.00 0.00 N ATOM 38 CA SER A 5 -24.665 -2.383 2.771 1.00 0.00 C ATOM 39 C SER A 5 -24.824 -3.688 1.996 1.00 0.00 C ATOM 40 O SER A 5 -25.074 -4.743 2.579 1.00 0.00 O ATOM 41 CB SER A 5 -23.181 -2.044 2.921 1.00 0.00 C ATOM 42 OG SER A 5 -22.451 -3.155 3.411 1.00 0.00 O ATOM 0 H SER A 5 -25.440 -3.431 4.413 1.00 0.00 H new ATOM 0 HA SER A 5 -25.158 -1.587 2.213 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.776 -1.735 1.957 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.064 -1.200 3.601 1.00 0.00 H new ATOM 0 HG SER A 5 -22.183 -2.987 4.339 1.00 0.00 H new ATOM 48 N SER A 6 -24.677 -3.608 0.677 1.00 0.00 N ATOM 49 CA SER A 6 -24.807 -4.780 -0.179 1.00 0.00 C ATOM 50 C SER A 6 -23.488 -5.542 -0.263 1.00 0.00 C ATOM 51 O SER A 6 -22.412 -4.957 -0.144 1.00 0.00 O ATOM 52 CB SER A 6 -25.260 -4.366 -1.581 1.00 0.00 C ATOM 53 OG SER A 6 -24.275 -3.573 -2.221 1.00 0.00 O ATOM 0 H SER A 6 -24.468 -2.743 0.179 1.00 0.00 H new ATOM 0 HA SER A 6 -25.558 -5.437 0.259 1.00 0.00 H new ATOM 0 HB2 SER A 6 -25.461 -5.255 -2.179 1.00 0.00 H new ATOM 0 HB3 SER A 6 -26.194 -3.808 -1.515 1.00 0.00 H new ATOM 0 HG SER A 6 -24.587 -3.323 -3.116 1.00 0.00 H new ATOM 59 N GLY A 7 -23.580 -6.852 -0.469 1.00 0.00 N ATOM 60 CA GLY A 7 -22.388 -7.674 -0.565 1.00 0.00 C ATOM 61 C GLY A 7 -21.827 -7.720 -1.973 1.00 0.00 C ATOM 62 O GLY A 7 -20.906 -6.974 -2.306 1.00 0.00 O ATOM 0 H GLY A 7 -24.459 -7.359 -0.571 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.628 -7.287 0.113 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -22.622 -8.687 -0.237 1.00 0.00 H new ATOM 66 N SER A 8 -22.382 -8.599 -2.800 1.00 0.00 N ATOM 67 CA SER A 8 -21.928 -8.744 -4.179 1.00 0.00 C ATOM 68 C SER A 8 -22.101 -7.438 -4.947 1.00 0.00 C ATOM 69 O SER A 8 -22.946 -6.610 -4.605 1.00 0.00 O ATOM 70 CB SER A 8 -22.700 -9.866 -4.877 1.00 0.00 C ATOM 71 OG SER A 8 -22.255 -11.139 -4.441 1.00 0.00 O ATOM 0 H SER A 8 -23.147 -9.222 -2.540 1.00 0.00 H new ATOM 0 HA SER A 8 -20.868 -8.998 -4.162 1.00 0.00 H new ATOM 0 HB2 SER A 8 -23.765 -9.760 -4.673 1.00 0.00 H new ATOM 0 HB3 SER A 8 -22.572 -9.783 -5.956 1.00 0.00 H new ATOM 0 HG SER A 8 -22.765 -11.839 -4.900 1.00 0.00 H new ATOM 77 N SER A 9 -21.294 -7.260 -5.988 1.00 0.00 N ATOM 78 CA SER A 9 -21.353 -6.053 -6.804 1.00 0.00 C ATOM 79 C SER A 9 -20.979 -6.357 -8.252 1.00 0.00 C ATOM 80 O SER A 9 -20.495 -7.445 -8.564 1.00 0.00 O ATOM 81 CB SER A 9 -20.419 -4.982 -6.238 1.00 0.00 C ATOM 82 OG SER A 9 -20.824 -4.588 -4.939 1.00 0.00 O ATOM 0 H SER A 9 -20.591 -7.937 -6.286 1.00 0.00 H new ATOM 0 HA SER A 9 -22.377 -5.680 -6.782 1.00 0.00 H new ATOM 0 HB2 SER A 9 -19.399 -5.365 -6.204 1.00 0.00 H new ATOM 0 HB3 SER A 9 -20.412 -4.115 -6.899 1.00 0.00 H new ATOM 0 HG SER A 9 -20.210 -3.904 -4.598 1.00 0.00 H new ATOM 88 N SER A 10 -21.206 -5.387 -9.132 1.00 0.00 N ATOM 89 CA SER A 10 -20.896 -5.551 -10.547 1.00 0.00 C ATOM 90 C SER A 10 -19.797 -4.585 -10.978 1.00 0.00 C ATOM 91 O SER A 10 -20.021 -3.378 -11.082 1.00 0.00 O ATOM 92 CB SER A 10 -22.150 -5.326 -11.394 1.00 0.00 C ATOM 93 OG SER A 10 -21.971 -5.817 -12.711 1.00 0.00 O ATOM 0 H SER A 10 -21.603 -4.479 -8.890 1.00 0.00 H new ATOM 0 HA SER A 10 -20.540 -6.570 -10.700 1.00 0.00 H new ATOM 0 HB2 SER A 10 -23.001 -5.824 -10.929 1.00 0.00 H new ATOM 0 HB3 SER A 10 -22.384 -4.262 -11.428 1.00 0.00 H new ATOM 0 HG SER A 10 -22.787 -5.663 -13.231 1.00 0.00 H new ATOM 99 N SER A 11 -18.608 -5.124 -11.229 1.00 0.00 N ATOM 100 CA SER A 11 -17.472 -4.310 -11.645 1.00 0.00 C ATOM 101 C SER A 11 -16.764 -4.938 -12.842 1.00 0.00 C ATOM 102 O SER A 11 -17.133 -6.022 -13.297 1.00 0.00 O ATOM 103 CB SER A 11 -16.487 -4.142 -10.486 1.00 0.00 C ATOM 104 OG SER A 11 -17.026 -3.307 -9.476 1.00 0.00 O ATOM 0 H SER A 11 -18.407 -6.121 -11.151 1.00 0.00 H new ATOM 0 HA SER A 11 -17.847 -3.330 -11.939 1.00 0.00 H new ATOM 0 HB2 SER A 11 -16.246 -5.118 -10.065 1.00 0.00 H new ATOM 0 HB3 SER A 11 -15.555 -3.715 -10.856 1.00 0.00 H new ATOM 0 HG SER A 11 -16.378 -3.217 -8.746 1.00 0.00 H new ATOM 110 N CYS A 12 -15.747 -4.249 -13.347 1.00 0.00 N ATOM 111 CA CYS A 12 -14.987 -4.737 -14.493 1.00 0.00 C ATOM 112 C CYS A 12 -14.000 -5.820 -14.069 1.00 0.00 C ATOM 113 O CYS A 12 -13.283 -5.669 -13.079 1.00 0.00 O ATOM 114 CB CYS A 12 -14.240 -3.584 -15.164 1.00 0.00 C ATOM 115 SG CYS A 12 -13.610 -3.974 -16.814 1.00 0.00 S ATOM 0 H CYS A 12 -15.429 -3.351 -12.982 1.00 0.00 H new ATOM 0 HA CYS A 12 -15.689 -5.169 -15.206 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -14.907 -2.725 -15.235 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -13.405 -3.287 -14.529 1.00 0.00 H new ATOM 0 HG CYS A 12 -12.996 -2.937 -17.300 1.00 0.00 H new ATOM 121 N THR A 13 -13.969 -6.914 -14.823 1.00 0.00 N ATOM 122 CA THR A 13 -13.073 -8.024 -14.525 1.00 0.00 C ATOM 123 C THR A 13 -11.618 -7.634 -14.759 1.00 0.00 C ATOM 124 O THR A 13 -10.793 -7.699 -13.848 1.00 0.00 O ATOM 125 CB THR A 13 -13.406 -9.261 -15.380 1.00 0.00 C ATOM 126 OG1 THR A 13 -14.798 -9.574 -15.268 1.00 0.00 O ATOM 127 CG2 THR A 13 -12.574 -10.458 -14.947 1.00 0.00 C ATOM 0 H THR A 13 -14.555 -7.055 -15.646 1.00 0.00 H new ATOM 0 HA THR A 13 -13.215 -8.271 -13.473 1.00 0.00 H new ATOM 0 HB THR A 13 -13.169 -9.032 -16.419 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.002 -10.361 -15.816 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.827 -11.319 -15.565 1.00 0.00 H new ATOM 0 HG22 THR A 13 -11.515 -10.226 -15.063 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.783 -10.687 -13.902 1.00 0.00 H new ATOM 135 N VAL A 14 -11.310 -7.228 -15.987 1.00 0.00 N ATOM 136 CA VAL A 14 -9.954 -6.826 -16.341 1.00 0.00 C ATOM 137 C VAL A 14 -9.928 -5.402 -16.886 1.00 0.00 C ATOM 138 O VAL A 14 -10.468 -5.125 -17.958 1.00 0.00 O ATOM 139 CB VAL A 14 -9.341 -7.776 -17.387 1.00 0.00 C ATOM 140 CG1 VAL A 14 -9.198 -9.178 -16.816 1.00 0.00 C ATOM 141 CG2 VAL A 14 -10.186 -7.790 -18.652 1.00 0.00 C ATOM 0 H VAL A 14 -11.981 -7.169 -16.753 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.361 -6.874 -15.428 1.00 0.00 H new ATOM 0 HB VAL A 14 -8.347 -7.412 -17.645 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -8.763 -9.835 -17.569 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -8.549 -9.150 -15.941 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.179 -9.555 -16.528 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.739 -8.466 -19.381 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -11.194 -8.129 -18.413 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.232 -6.784 -19.070 1.00 0.00 H new ATOM 151 N THR A 15 -9.295 -4.501 -16.142 1.00 0.00 N ATOM 152 CA THR A 15 -9.198 -3.105 -16.550 1.00 0.00 C ATOM 153 C THR A 15 -8.355 -2.958 -17.811 1.00 0.00 C ATOM 154 O THR A 15 -8.712 -2.214 -18.726 1.00 0.00 O ATOM 155 CB THR A 15 -8.589 -2.235 -15.434 1.00 0.00 C ATOM 156 OG1 THR A 15 -9.381 -2.336 -14.246 1.00 0.00 O ATOM 157 CG2 THR A 15 -8.502 -0.780 -15.870 1.00 0.00 C ATOM 0 H THR A 15 -8.842 -4.713 -15.253 1.00 0.00 H new ATOM 0 HA THR A 15 -10.213 -2.764 -16.754 1.00 0.00 H new ATOM 0 HB THR A 15 -7.582 -2.598 -15.229 1.00 0.00 H new ATOM 0 HG1 THR A 15 -8.986 -1.781 -13.541 1.00 0.00 H new ATOM 0 HG21 THR A 15 -8.069 -0.185 -15.066 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.874 -0.703 -16.757 1.00 0.00 H new ATOM 0 HG23 THR A 15 -9.501 -0.409 -16.099 1.00 0.00 H new ATOM 165 N THR A 16 -7.235 -3.671 -17.855 1.00 0.00 N ATOM 166 CA THR A 16 -6.340 -3.620 -19.005 1.00 0.00 C ATOM 167 C THR A 16 -5.904 -5.019 -19.425 1.00 0.00 C ATOM 168 O THR A 16 -5.648 -5.879 -18.584 1.00 0.00 O ATOM 169 CB THR A 16 -5.090 -2.772 -18.706 1.00 0.00 C ATOM 170 OG1 THR A 16 -4.311 -2.611 -19.897 1.00 0.00 O ATOM 171 CG2 THR A 16 -4.241 -3.422 -17.624 1.00 0.00 C ATOM 0 H THR A 16 -6.925 -4.291 -17.107 1.00 0.00 H new ATOM 0 HA THR A 16 -6.897 -3.157 -19.819 1.00 0.00 H new ATOM 0 HB THR A 16 -5.418 -1.795 -18.351 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.519 -2.069 -19.699 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.364 -2.805 -17.430 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.827 -3.517 -16.710 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.923 -4.410 -17.956 1.00 0.00 H new ATOM 179 N GLY A 17 -5.820 -5.239 -20.734 1.00 0.00 N ATOM 180 CA GLY A 17 -5.414 -6.536 -21.243 1.00 0.00 C ATOM 181 C GLY A 17 -3.947 -6.824 -20.991 1.00 0.00 C ATOM 182 O GLY A 17 -3.565 -7.966 -20.733 1.00 0.00 O ATOM 0 H GLY A 17 -6.026 -4.543 -21.450 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.019 -7.312 -20.775 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.611 -6.581 -22.314 1.00 0.00 H new ATOM 186 N THR A 18 -3.120 -5.785 -21.067 1.00 0.00 N ATOM 187 CA THR A 18 -1.687 -5.932 -20.849 1.00 0.00 C ATOM 188 C THR A 18 -1.356 -5.947 -19.361 1.00 0.00 C ATOM 189 O THR A 18 -0.206 -5.748 -18.967 1.00 0.00 O ATOM 190 CB THR A 18 -0.896 -4.798 -21.527 1.00 0.00 C ATOM 191 OG1 THR A 18 -1.348 -3.528 -21.044 1.00 0.00 O ATOM 192 CG2 THR A 18 -1.054 -4.857 -23.039 1.00 0.00 C ATOM 0 H THR A 18 -3.419 -4.833 -21.278 1.00 0.00 H new ATOM 0 HA THR A 18 -1.396 -6.884 -21.293 1.00 0.00 H new ATOM 0 HB THR A 18 0.159 -4.924 -21.283 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.839 -2.813 -21.479 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.486 -4.046 -23.496 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.681 -5.813 -23.407 1.00 0.00 H new ATOM 0 HG23 THR A 18 -2.107 -4.754 -23.299 1.00 0.00 H new ATOM 200 N LEU A 19 -2.370 -6.185 -18.536 1.00 0.00 N ATOM 201 CA LEU A 19 -2.187 -6.227 -17.090 1.00 0.00 C ATOM 202 C LEU A 19 -1.054 -7.175 -16.711 1.00 0.00 C ATOM 203 O LEU A 19 -0.739 -8.108 -17.449 1.00 0.00 O ATOM 204 CB LEU A 19 -3.483 -6.664 -16.404 1.00 0.00 C ATOM 205 CG LEU A 19 -3.852 -8.141 -16.546 1.00 0.00 C ATOM 206 CD1 LEU A 19 -4.523 -8.647 -15.278 1.00 0.00 C ATOM 207 CD2 LEU A 19 -4.757 -8.351 -17.751 1.00 0.00 C ATOM 0 H LEU A 19 -3.328 -6.352 -18.844 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.925 -5.224 -16.753 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.405 -6.430 -15.342 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.302 -6.065 -16.803 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.936 -8.712 -16.701 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.779 -9.700 -15.397 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.842 -8.532 -14.435 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.430 -8.072 -15.092 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.009 -9.408 -17.837 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.670 -7.769 -17.626 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.241 -8.027 -18.655 1.00 0.00 H new ATOM 219 N GLY A 20 -0.445 -6.929 -15.555 1.00 0.00 N ATOM 220 CA GLY A 20 0.646 -7.771 -15.098 1.00 0.00 C ATOM 221 C GLY A 20 1.988 -7.072 -15.174 1.00 0.00 C ATOM 222 O GLY A 20 2.430 -6.453 -14.206 1.00 0.00 O ATOM 0 H GLY A 20 -0.687 -6.162 -14.927 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.458 -8.078 -14.069 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.678 -8.678 -15.701 1.00 0.00 H new ATOM 226 N PHE A 21 2.641 -7.172 -16.328 1.00 0.00 N ATOM 227 CA PHE A 21 3.943 -6.547 -16.526 1.00 0.00 C ATOM 228 C PHE A 21 3.838 -5.028 -16.426 1.00 0.00 C ATOM 229 O PHE A 21 4.438 -4.410 -15.547 1.00 0.00 O ATOM 230 CB PHE A 21 4.520 -6.941 -17.888 1.00 0.00 C ATOM 231 CG PHE A 21 6.019 -6.872 -17.946 1.00 0.00 C ATOM 232 CD1 PHE A 21 6.795 -7.651 -17.103 1.00 0.00 C ATOM 233 CD2 PHE A 21 6.652 -6.029 -18.845 1.00 0.00 C ATOM 234 CE1 PHE A 21 8.175 -7.589 -17.154 1.00 0.00 C ATOM 235 CE2 PHE A 21 8.032 -5.963 -18.901 1.00 0.00 C ATOM 236 CZ PHE A 21 8.794 -6.745 -18.056 1.00 0.00 C ATOM 0 H PHE A 21 2.289 -7.680 -17.140 1.00 0.00 H new ATOM 0 HA PHE A 21 4.611 -6.900 -15.740 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.201 -7.955 -18.129 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.104 -6.286 -18.653 1.00 0.00 H new ATOM 0 HD1 PHE A 21 6.316 -8.314 -16.398 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.061 -5.416 -19.510 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.769 -8.199 -16.490 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.513 -5.300 -19.605 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.872 -6.697 -18.100 1.00 0.00 H new ATOM 246 N GLY A 22 3.071 -4.432 -17.334 1.00 0.00 N ATOM 247 CA GLY A 22 2.901 -2.991 -17.331 1.00 0.00 C ATOM 248 C GLY A 22 3.534 -2.331 -18.540 1.00 0.00 C ATOM 249 O GLY A 22 4.737 -2.459 -18.767 1.00 0.00 O ATOM 0 H GLY A 22 2.564 -4.922 -18.072 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.837 -2.754 -17.306 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.341 -2.578 -16.423 1.00 0.00 H new ATOM 253 N ASP A 23 2.722 -1.624 -19.319 1.00 0.00 N ATOM 254 CA ASP A 23 3.210 -0.941 -20.511 1.00 0.00 C ATOM 255 C ASP A 23 4.221 0.141 -20.144 1.00 0.00 C ATOM 256 O ASP A 23 5.330 0.176 -20.676 1.00 0.00 O ATOM 257 CB ASP A 23 2.043 -0.324 -21.285 1.00 0.00 C ATOM 258 CG ASP A 23 2.480 0.287 -22.601 1.00 0.00 C ATOM 259 OD1 ASP A 23 3.591 0.855 -22.652 1.00 0.00 O ATOM 260 OD2 ASP A 23 1.711 0.199 -23.581 1.00 0.00 O ATOM 0 H ASP A 23 1.723 -1.509 -19.146 1.00 0.00 H new ATOM 0 HA ASP A 23 3.707 -1.677 -21.143 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.292 -1.090 -21.475 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.569 0.442 -20.672 1.00 0.00 H new ATOM 265 N LYS A 24 3.829 1.023 -19.231 1.00 0.00 N ATOM 266 CA LYS A 24 4.700 2.107 -18.791 1.00 0.00 C ATOM 267 C LYS A 24 5.636 1.637 -17.682 1.00 0.00 C ATOM 268 O LYS A 24 5.193 1.084 -16.675 1.00 0.00 O ATOM 269 CB LYS A 24 3.865 3.292 -18.299 1.00 0.00 C ATOM 270 CG LYS A 24 3.431 4.232 -19.410 1.00 0.00 C ATOM 271 CD LYS A 24 2.382 3.593 -20.304 1.00 0.00 C ATOM 272 CE LYS A 24 2.085 4.456 -21.520 1.00 0.00 C ATOM 273 NZ LYS A 24 3.011 4.161 -22.649 1.00 0.00 N ATOM 0 H LYS A 24 2.914 1.009 -18.781 1.00 0.00 H new ATOM 0 HA LYS A 24 5.303 2.423 -19.642 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.980 2.914 -17.787 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.443 3.853 -17.565 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.031 5.149 -18.977 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.297 4.514 -20.008 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.728 2.612 -20.629 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.465 3.436 -19.736 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.057 4.290 -21.841 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.168 5.508 -21.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.576 4.465 -23.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.905 4.673 -22.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.199 3.139 -22.686 1.00 0.00 H new ATOM 287 N PHE A 25 6.932 1.860 -17.873 1.00 0.00 N ATOM 288 CA PHE A 25 7.930 1.460 -16.889 1.00 0.00 C ATOM 289 C PHE A 25 8.166 2.571 -15.870 1.00 0.00 C ATOM 290 O PHE A 25 9.168 2.571 -15.154 1.00 0.00 O ATOM 291 CB PHE A 25 9.246 1.101 -17.583 1.00 0.00 C ATOM 292 CG PHE A 25 9.105 0.012 -18.608 1.00 0.00 C ATOM 293 CD1 PHE A 25 8.600 -1.229 -18.255 1.00 0.00 C ATOM 294 CD2 PHE A 25 9.479 0.229 -19.924 1.00 0.00 C ATOM 295 CE1 PHE A 25 8.469 -2.233 -19.196 1.00 0.00 C ATOM 296 CE2 PHE A 25 9.350 -0.771 -20.869 1.00 0.00 C ATOM 297 CZ PHE A 25 8.845 -2.004 -20.504 1.00 0.00 C ATOM 0 H PHE A 25 7.316 2.316 -18.701 1.00 0.00 H new ATOM 0 HA PHE A 25 7.553 0.583 -16.363 1.00 0.00 H new ATOM 0 HB2 PHE A 25 9.649 1.992 -18.064 1.00 0.00 H new ATOM 0 HB3 PHE A 25 9.971 0.790 -16.831 1.00 0.00 H new ATOM 0 HD1 PHE A 25 8.305 -1.414 -17.233 1.00 0.00 H new ATOM 0 HD2 PHE A 25 9.876 1.190 -20.215 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.073 -3.196 -18.908 1.00 0.00 H new ATOM 0 HE2 PHE A 25 9.644 -0.589 -21.892 1.00 0.00 H new ATOM 0 HZ PHE A 25 8.745 -2.787 -21.241 1.00 0.00 H new ATOM 307 N LYS A 26 7.237 3.519 -15.811 1.00 0.00 N ATOM 308 CA LYS A 26 7.341 4.637 -14.881 1.00 0.00 C ATOM 309 C LYS A 26 6.417 4.436 -13.684 1.00 0.00 C ATOM 310 O LYS A 26 5.329 3.875 -13.815 1.00 0.00 O ATOM 311 CB LYS A 26 6.998 5.949 -15.589 1.00 0.00 C ATOM 312 CG LYS A 26 7.932 6.282 -16.740 1.00 0.00 C ATOM 313 CD LYS A 26 9.197 6.968 -16.251 1.00 0.00 C ATOM 314 CE LYS A 26 8.938 8.422 -15.889 1.00 0.00 C ATOM 315 NZ LYS A 26 10.034 8.990 -15.056 1.00 0.00 N ATOM 0 H LYS A 26 6.402 3.535 -16.397 1.00 0.00 H new ATOM 0 HA LYS A 26 8.369 4.684 -14.521 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.977 5.892 -15.966 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.026 6.762 -14.863 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.195 5.368 -17.272 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.418 6.928 -17.451 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.586 6.439 -15.381 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.963 6.915 -17.025 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.833 9.010 -16.801 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.994 8.499 -15.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.820 9.982 -14.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.118 8.445 -14.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.931 8.940 -15.581 1.00 0.00 H new ATOM 329 N ARG A 27 6.857 4.899 -12.519 1.00 0.00 N ATOM 330 CA ARG A 27 6.069 4.770 -11.299 1.00 0.00 C ATOM 331 C ARG A 27 4.863 5.704 -11.329 1.00 0.00 C ATOM 332 O ARG A 27 4.851 6.720 -12.026 1.00 0.00 O ATOM 333 CB ARG A 27 6.933 5.076 -10.074 1.00 0.00 C ATOM 334 CG ARG A 27 7.790 3.903 -9.625 1.00 0.00 C ATOM 335 CD ARG A 27 8.758 4.309 -8.524 1.00 0.00 C ATOM 336 NE ARG A 27 9.390 3.152 -7.897 1.00 0.00 N ATOM 337 CZ ARG A 27 8.814 2.426 -6.945 1.00 0.00 C ATOM 338 NH1 ARG A 27 7.600 2.737 -6.513 1.00 0.00 N ATOM 339 NH2 ARG A 27 9.454 1.387 -6.423 1.00 0.00 N ATOM 0 H ARG A 27 7.755 5.367 -12.394 1.00 0.00 H new ATOM 0 HA ARG A 27 5.710 3.743 -11.235 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.581 5.923 -10.299 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.287 5.379 -9.250 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.148 3.098 -9.268 1.00 0.00 H new ATOM 0 HG3 ARG A 27 8.348 3.512 -10.476 1.00 0.00 H new ATOM 0 HD2 ARG A 27 9.526 4.961 -8.939 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.225 4.885 -7.768 1.00 0.00 H new ATOM 0 HE ARG A 27 10.325 2.886 -8.207 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.106 3.535 -6.912 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.160 2.178 -5.782 1.00 0.00 H new ATOM 0 HH21 ARG A 27 10.389 1.146 -6.753 1.00 0.00 H new ATOM 0 HH22 ARG A 27 9.011 0.830 -5.692 1.00 0.00 H new ATOM 353 N PRO A 28 3.824 5.354 -10.558 1.00 0.00 N ATOM 354 CA PRO A 28 2.593 6.148 -10.479 1.00 0.00 C ATOM 355 C PRO A 28 2.805 7.476 -9.761 1.00 0.00 C ATOM 356 O PRO A 28 1.856 8.227 -9.532 1.00 0.00 O ATOM 357 CB PRO A 28 1.644 5.252 -9.679 1.00 0.00 C ATOM 358 CG PRO A 28 2.540 4.382 -8.866 1.00 0.00 C ATOM 359 CD PRO A 28 3.769 4.157 -9.702 1.00 0.00 C ATOM 0 HA PRO A 28 2.217 6.416 -11.466 1.00 0.00 H new ATOM 0 HB2 PRO A 28 0.983 5.842 -9.044 1.00 0.00 H new ATOM 0 HB3 PRO A 28 1.009 4.660 -10.338 1.00 0.00 H new ATOM 0 HG2 PRO A 28 2.794 4.860 -7.920 1.00 0.00 H new ATOM 0 HG3 PRO A 28 2.053 3.437 -8.626 1.00 0.00 H new ATOM 0 HD2 PRO A 28 4.663 4.063 -9.085 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.692 3.244 -10.292 1.00 0.00 H new ATOM 367 N ILE A 29 4.054 7.760 -9.408 1.00 0.00 N ATOM 368 CA ILE A 29 4.390 8.999 -8.717 1.00 0.00 C ATOM 369 C ILE A 29 3.548 9.171 -7.458 1.00 0.00 C ATOM 370 O ILE A 29 2.986 10.239 -7.216 1.00 0.00 O ATOM 371 CB ILE A 29 4.187 10.224 -9.628 1.00 0.00 C ATOM 372 CG1 ILE A 29 4.735 9.941 -11.029 1.00 0.00 C ATOM 373 CG2 ILE A 29 4.862 11.448 -9.027 1.00 0.00 C ATOM 374 CD1 ILE A 29 6.224 9.676 -11.053 1.00 0.00 C ATOM 0 H ILE A 29 4.850 7.149 -9.589 1.00 0.00 H new ATOM 0 HA ILE A 29 5.442 8.932 -8.441 1.00 0.00 H new ATOM 0 HB ILE A 29 3.119 10.425 -9.710 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.214 9.080 -11.447 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.515 10.791 -11.675 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.710 12.306 -9.682 1.00 0.00 H new ATOM 0 HG22 ILE A 29 4.430 11.658 -8.048 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.930 11.258 -8.919 1.00 0.00 H new ATOM 0 HD11 ILE A 29 6.543 9.483 -12.077 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.755 10.546 -10.665 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.449 8.808 -10.434 1.00 0.00 H new ATOM 386 N GLY A 30 3.466 8.113 -6.657 1.00 0.00 N ATOM 387 CA GLY A 30 2.692 8.168 -5.431 1.00 0.00 C ATOM 388 C GLY A 30 2.155 6.811 -5.023 1.00 0.00 C ATOM 389 O GLY A 30 2.487 6.300 -3.954 1.00 0.00 O ATOM 0 H GLY A 30 3.922 7.218 -6.836 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.315 8.565 -4.629 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.860 8.860 -5.561 1.00 0.00 H new ATOM 393 N SER A 31 1.320 6.226 -5.876 1.00 0.00 N ATOM 394 CA SER A 31 0.730 4.922 -5.596 1.00 0.00 C ATOM 395 C SER A 31 1.813 3.857 -5.444 1.00 0.00 C ATOM 396 O SER A 31 2.984 4.102 -5.735 1.00 0.00 O ATOM 397 CB SER A 31 -0.237 4.525 -6.713 1.00 0.00 C ATOM 398 OG SER A 31 -1.397 5.339 -6.695 1.00 0.00 O ATOM 0 H SER A 31 1.037 6.634 -6.767 1.00 0.00 H new ATOM 0 HA SER A 31 0.180 4.994 -4.658 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.260 4.616 -7.679 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.521 3.479 -6.598 1.00 0.00 H new ATOM 0 HG SER A 31 -2.139 4.843 -6.290 1.00 0.00 H new ATOM 404 N TRP A 32 1.413 2.677 -4.987 1.00 0.00 N ATOM 405 CA TRP A 32 2.348 1.574 -4.797 1.00 0.00 C ATOM 406 C TRP A 32 1.857 0.315 -5.502 1.00 0.00 C ATOM 407 O TRP A 32 0.685 -0.047 -5.400 1.00 0.00 O ATOM 408 CB TRP A 32 2.543 1.295 -3.305 1.00 0.00 C ATOM 409 CG TRP A 32 1.253 1.141 -2.557 1.00 0.00 C ATOM 410 CD1 TRP A 32 0.369 2.130 -2.236 1.00 0.00 C ATOM 411 CD2 TRP A 32 0.705 -0.075 -2.035 1.00 0.00 C ATOM 412 NE1 TRP A 32 -0.696 1.603 -1.545 1.00 0.00 N ATOM 413 CE2 TRP A 32 -0.514 0.253 -1.410 1.00 0.00 C ATOM 414 CE3 TRP A 32 1.124 -1.408 -2.037 1.00 0.00 C ATOM 415 CZ2 TRP A 32 -1.315 -0.705 -0.794 1.00 0.00 C ATOM 416 CZ3 TRP A 32 0.329 -2.357 -1.424 1.00 0.00 C ATOM 417 CH2 TRP A 32 -0.880 -2.003 -0.810 1.00 0.00 C ATOM 0 H TRP A 32 0.448 2.459 -4.741 1.00 0.00 H new ATOM 0 HA TRP A 32 3.304 1.862 -5.234 1.00 0.00 H new ATOM 0 HB2 TRP A 32 3.134 0.387 -3.187 1.00 0.00 H new ATOM 0 HB3 TRP A 32 3.117 2.109 -2.862 1.00 0.00 H new ATOM 0 HD1 TRP A 32 0.489 3.173 -2.488 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.493 2.132 -1.190 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.053 -1.691 -2.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -2.247 -0.434 -0.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 0.645 -3.390 -1.418 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -1.480 -2.769 -0.341 1.00 0.00 H new ATOM 428 N GLU A 33 2.760 -0.348 -6.218 1.00 0.00 N ATOM 429 CA GLU A 33 2.416 -1.567 -6.940 1.00 0.00 C ATOM 430 C GLU A 33 2.507 -2.786 -6.026 1.00 0.00 C ATOM 431 O GLU A 33 3.575 -3.106 -5.504 1.00 0.00 O ATOM 432 CB GLU A 33 3.340 -1.750 -8.146 1.00 0.00 C ATOM 433 CG GLU A 33 3.251 -3.129 -8.778 1.00 0.00 C ATOM 434 CD GLU A 33 3.640 -3.125 -10.244 1.00 0.00 C ATOM 435 OE1 GLU A 33 3.245 -2.181 -10.959 1.00 0.00 O ATOM 436 OE2 GLU A 33 4.339 -4.066 -10.675 1.00 0.00 O ATOM 0 H GLU A 33 3.734 -0.062 -6.313 1.00 0.00 H new ATOM 0 HA GLU A 33 1.388 -1.473 -7.290 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.096 -0.999 -8.897 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.369 -1.568 -7.836 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.901 -3.816 -8.235 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.233 -3.506 -8.677 1.00 0.00 H new ATOM 443 N CYS A 34 1.379 -3.462 -5.837 1.00 0.00 N ATOM 444 CA CYS A 34 1.330 -4.645 -4.986 1.00 0.00 C ATOM 445 C CYS A 34 2.335 -5.694 -5.454 1.00 0.00 C ATOM 446 O CYS A 34 2.948 -5.553 -6.512 1.00 0.00 O ATOM 447 CB CYS A 34 -0.080 -5.239 -4.985 1.00 0.00 C ATOM 448 SG CYS A 34 -0.470 -6.225 -3.504 1.00 0.00 S ATOM 0 H CYS A 34 0.486 -3.211 -6.262 1.00 0.00 H new ATOM 0 HA CYS A 34 1.592 -4.344 -3.972 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.804 -4.429 -5.070 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.199 -5.867 -5.868 1.00 0.00 H new ATOM 453 N SER A 35 2.498 -6.745 -4.657 1.00 0.00 N ATOM 454 CA SER A 35 3.431 -7.817 -4.986 1.00 0.00 C ATOM 455 C SER A 35 2.696 -9.142 -5.164 1.00 0.00 C ATOM 456 O SER A 35 3.040 -9.944 -6.032 1.00 0.00 O ATOM 457 CB SER A 35 4.492 -7.951 -3.893 1.00 0.00 C ATOM 458 OG SER A 35 5.537 -8.818 -4.300 1.00 0.00 O ATOM 0 H SER A 35 1.996 -6.877 -3.779 1.00 0.00 H new ATOM 0 HA SER A 35 3.919 -7.564 -5.927 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.901 -6.969 -3.657 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.033 -8.333 -2.981 1.00 0.00 H new ATOM 0 HG SER A 35 6.203 -8.886 -3.585 1.00 0.00 H new ATOM 464 N VAL A 36 1.681 -9.364 -4.334 1.00 0.00 N ATOM 465 CA VAL A 36 0.896 -10.591 -4.398 1.00 0.00 C ATOM 466 C VAL A 36 -0.005 -10.602 -5.628 1.00 0.00 C ATOM 467 O VAL A 36 -0.183 -11.637 -6.271 1.00 0.00 O ATOM 468 CB VAL A 36 0.029 -10.769 -3.138 1.00 0.00 C ATOM 469 CG1 VAL A 36 0.897 -11.103 -1.935 1.00 0.00 C ATOM 470 CG2 VAL A 36 -0.797 -9.518 -2.879 1.00 0.00 C ATOM 0 H VAL A 36 1.383 -8.710 -3.610 1.00 0.00 H new ATOM 0 HA VAL A 36 1.604 -11.417 -4.462 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.655 -11.601 -3.304 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.267 -11.225 -1.054 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.440 -12.029 -2.124 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.608 -10.295 -1.763 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.404 -9.661 -1.985 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.132 -8.667 -2.734 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.448 -9.329 -3.733 1.00 0.00 H new ATOM 480 N CYS A 37 -0.572 -9.444 -5.950 1.00 0.00 N ATOM 481 CA CYS A 37 -1.456 -9.319 -7.103 1.00 0.00 C ATOM 482 C CYS A 37 -0.877 -8.350 -8.130 1.00 0.00 C ATOM 483 O CYS A 37 -1.235 -8.390 -9.307 1.00 0.00 O ATOM 484 CB CYS A 37 -2.841 -8.843 -6.660 1.00 0.00 C ATOM 485 SG CYS A 37 -2.886 -7.113 -6.090 1.00 0.00 S ATOM 0 H CYS A 37 -0.435 -8.578 -5.428 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.548 -10.301 -7.568 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.536 -8.958 -7.492 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.195 -9.488 -5.856 1.00 0.00 H new ATOM 490 N CYS A 38 0.020 -7.482 -7.675 1.00 0.00 N ATOM 491 CA CYS A 38 0.649 -6.502 -8.554 1.00 0.00 C ATOM 492 C CYS A 38 -0.393 -5.566 -9.158 1.00 0.00 C ATOM 493 O CYS A 38 -0.369 -5.284 -10.356 1.00 0.00 O ATOM 494 CB CYS A 38 1.425 -7.208 -9.666 1.00 0.00 C ATOM 495 SG CYS A 38 3.078 -7.755 -9.181 1.00 0.00 S ATOM 0 H CYS A 38 0.328 -7.437 -6.704 1.00 0.00 H new ATOM 0 HA CYS A 38 1.342 -5.908 -7.959 1.00 0.00 H new ATOM 0 HB2 CYS A 38 0.852 -8.072 -10.002 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.513 -6.533 -10.518 1.00 0.00 H new ATOM 0 HG CYS A 38 3.461 -7.098 -8.127 1.00 0.00 H new ATOM 501 N VAL A 39 -1.308 -5.088 -8.321 1.00 0.00 N ATOM 502 CA VAL A 39 -2.359 -4.184 -8.772 1.00 0.00 C ATOM 503 C VAL A 39 -2.151 -2.779 -8.218 1.00 0.00 C ATOM 504 O VAL A 39 -1.692 -2.607 -7.089 1.00 0.00 O ATOM 505 CB VAL A 39 -3.752 -4.688 -8.352 1.00 0.00 C ATOM 506 CG1 VAL A 39 -4.804 -3.617 -8.594 1.00 0.00 C ATOM 507 CG2 VAL A 39 -4.102 -5.968 -9.096 1.00 0.00 C ATOM 0 H VAL A 39 -1.343 -5.312 -7.326 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.305 -4.154 -9.860 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.732 -4.908 -7.285 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.782 -3.992 -8.291 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.560 -2.729 -8.011 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.826 -3.361 -9.653 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.090 -6.310 -8.787 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.104 -5.776 -10.169 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.364 -6.736 -8.866 1.00 0.00 H new ATOM 517 N SER A 40 -2.493 -1.776 -9.021 1.00 0.00 N ATOM 518 CA SER A 40 -2.340 -0.384 -8.612 1.00 0.00 C ATOM 519 C SER A 40 -3.205 -0.078 -7.393 1.00 0.00 C ATOM 520 O SER A 40 -4.386 -0.421 -7.354 1.00 0.00 O ATOM 521 CB SER A 40 -2.713 0.551 -9.764 1.00 0.00 C ATOM 522 OG SER A 40 -4.003 0.250 -10.268 1.00 0.00 O ATOM 0 H SER A 40 -2.877 -1.901 -9.957 1.00 0.00 H new ATOM 0 HA SER A 40 -1.296 -0.222 -8.345 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.685 1.585 -9.421 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.977 0.461 -10.563 1.00 0.00 H new ATOM 0 HG SER A 40 -4.529 -0.199 -9.574 1.00 0.00 H new ATOM 528 N ASN A 41 -2.606 0.569 -6.398 1.00 0.00 N ATOM 529 CA ASN A 41 -3.320 0.921 -5.176 1.00 0.00 C ATOM 530 C ASN A 41 -3.186 2.411 -4.878 1.00 0.00 C ATOM 531 O ASN A 41 -2.478 3.133 -5.578 1.00 0.00 O ATOM 532 CB ASN A 41 -2.789 0.104 -3.997 1.00 0.00 C ATOM 533 CG ASN A 41 -2.407 -1.308 -4.397 1.00 0.00 C ATOM 534 OD1 ASN A 41 -3.343 -2.022 -5.011 1.00 0.00 O flip ATOM 535 ND2 ASN A 41 -1.284 -1.751 -4.156 1.00 0.00 N flip ATOM 0 H ASN A 41 -1.629 0.860 -6.414 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.375 0.691 -5.322 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -1.920 0.606 -3.573 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.547 0.065 -3.215 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -0.596 -1.166 -3.682 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -1.042 -2.703 -4.431 1.00 0.00 H new ATOM 542 N ASN A 42 -3.872 2.864 -3.834 1.00 0.00 N ATOM 543 CA ASN A 42 -3.830 4.269 -3.443 1.00 0.00 C ATOM 544 C ASN A 42 -2.754 4.508 -2.388 1.00 0.00 C ATOM 545 O ASN A 42 -2.747 3.867 -1.337 1.00 0.00 O ATOM 546 CB ASN A 42 -5.193 4.711 -2.906 1.00 0.00 C ATOM 547 CG ASN A 42 -6.339 4.245 -3.784 1.00 0.00 C ATOM 548 OD1 ASN A 42 -6.728 4.930 -4.731 1.00 0.00 O ATOM 549 ND2 ASN A 42 -6.885 3.076 -3.473 1.00 0.00 N ATOM 0 H ASN A 42 -4.463 2.279 -3.244 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.586 4.859 -4.326 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.328 4.318 -1.898 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.216 5.798 -2.830 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.659 2.711 -4.028 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.530 2.542 -2.679 1.00 0.00 H new ATOM 556 N ALA A 43 -1.847 5.435 -2.676 1.00 0.00 N ATOM 557 CA ALA A 43 -0.767 5.760 -1.752 1.00 0.00 C ATOM 558 C ALA A 43 -1.274 5.818 -0.314 1.00 0.00 C ATOM 559 O ALA A 43 -0.622 5.322 0.603 1.00 0.00 O ATOM 560 CB ALA A 43 -0.122 7.083 -2.139 1.00 0.00 C ATOM 0 H ALA A 43 -1.838 5.974 -3.542 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.018 4.970 -1.815 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.683 7.313 -1.441 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.283 7.009 -3.148 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.869 7.876 -2.106 1.00 0.00 H new ATOM 566 N GLU A 44 -2.441 6.428 -0.127 1.00 0.00 N ATOM 567 CA GLU A 44 -3.033 6.551 1.200 1.00 0.00 C ATOM 568 C GLU A 44 -3.444 5.185 1.741 1.00 0.00 C ATOM 569 O GLU A 44 -3.205 4.870 2.907 1.00 0.00 O ATOM 570 CB GLU A 44 -4.247 7.481 1.156 1.00 0.00 C ATOM 571 CG GLU A 44 -3.918 8.892 0.700 1.00 0.00 C ATOM 572 CD GLU A 44 -2.806 9.524 1.516 1.00 0.00 C ATOM 573 OE1 GLU A 44 -1.656 9.046 1.423 1.00 0.00 O ATOM 574 OE2 GLU A 44 -3.087 10.496 2.247 1.00 0.00 O ATOM 0 H GLU A 44 -2.994 6.844 -0.876 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.283 6.976 1.867 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.995 7.057 0.486 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.697 7.525 2.148 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.627 8.872 -0.350 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.813 9.511 0.771 1.00 0.00 H new ATOM 581 N ASP A 45 -4.063 4.378 0.886 1.00 0.00 N ATOM 582 CA ASP A 45 -4.507 3.045 1.278 1.00 0.00 C ATOM 583 C ASP A 45 -3.323 2.178 1.692 1.00 0.00 C ATOM 584 O ASP A 45 -2.573 1.690 0.848 1.00 0.00 O ATOM 585 CB ASP A 45 -5.266 2.380 0.128 1.00 0.00 C ATOM 586 CG ASP A 45 -6.574 3.080 -0.184 1.00 0.00 C ATOM 587 OD1 ASP A 45 -6.648 4.311 0.009 1.00 0.00 O ATOM 588 OD2 ASP A 45 -7.523 2.396 -0.622 1.00 0.00 O ATOM 0 H ASP A 45 -4.269 4.623 -0.082 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.175 3.147 2.133 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.638 2.375 -0.763 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.466 1.339 0.382 1.00 0.00 H new ATOM 593 N ASN A 46 -3.162 1.990 2.998 1.00 0.00 N ATOM 594 CA ASN A 46 -2.067 1.183 3.525 1.00 0.00 C ATOM 595 C ASN A 46 -2.231 -0.281 3.126 1.00 0.00 C ATOM 596 O ASN A 46 -1.287 -1.067 3.208 1.00 0.00 O ATOM 597 CB ASN A 46 -2.004 1.304 5.048 1.00 0.00 C ATOM 598 CG ASN A 46 -0.591 1.165 5.581 1.00 0.00 C ATOM 599 OD1 ASN A 46 0.382 1.347 4.848 1.00 0.00 O ATOM 600 ND2 ASN A 46 -0.471 0.839 6.863 1.00 0.00 N ATOM 0 H ASN A 46 -3.776 2.385 3.711 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.135 1.556 3.099 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -2.410 2.269 5.350 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -2.636 0.538 5.497 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.455 0.730 7.277 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -1.305 0.698 7.433 1.00 0.00 H new ATOM 607 N LYS A 47 -3.435 -0.640 2.695 1.00 0.00 N ATOM 608 CA LYS A 47 -3.724 -2.008 2.281 1.00 0.00 C ATOM 609 C LYS A 47 -4.266 -2.043 0.856 1.00 0.00 C ATOM 610 O LYS A 47 -4.792 -1.048 0.356 1.00 0.00 O ATOM 611 CB LYS A 47 -4.732 -2.649 3.238 1.00 0.00 C ATOM 612 CG LYS A 47 -4.112 -3.147 4.531 1.00 0.00 C ATOM 613 CD LYS A 47 -4.939 -4.259 5.155 1.00 0.00 C ATOM 614 CE LYS A 47 -4.551 -4.495 6.607 1.00 0.00 C ATOM 615 NZ LYS A 47 -4.836 -3.306 7.457 1.00 0.00 N ATOM 0 H LYS A 47 -4.228 -0.002 2.623 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.793 -2.574 2.310 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.509 -1.922 3.474 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.219 -3.484 2.734 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.103 -3.509 4.336 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.023 -2.320 5.235 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.997 -4.003 5.097 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.802 -5.179 4.587 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.096 -5.357 6.993 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.490 -4.737 6.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.427 -3.590 8.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.942 -2.906 7.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.339 -2.590 6.895 1.00 0.00 H new ATOM 629 N CYS A 48 -4.135 -3.195 0.206 1.00 0.00 N ATOM 630 CA CYS A 48 -4.612 -3.360 -1.161 1.00 0.00 C ATOM 631 C CYS A 48 -6.138 -3.353 -1.210 1.00 0.00 C ATOM 632 O CYS A 48 -6.803 -3.345 -0.174 1.00 0.00 O ATOM 633 CB CYS A 48 -4.078 -4.665 -1.756 1.00 0.00 C ATOM 634 SG CYS A 48 -3.861 -4.624 -3.564 1.00 0.00 S ATOM 0 H CYS A 48 -3.702 -4.028 0.605 1.00 0.00 H new ATOM 0 HA CYS A 48 -4.243 -2.521 -1.751 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.120 -4.899 -1.291 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -4.762 -5.475 -1.501 1.00 0.00 H new ATOM 639 N VAL A 49 -6.686 -3.356 -2.421 1.00 0.00 N ATOM 640 CA VAL A 49 -8.132 -3.351 -2.605 1.00 0.00 C ATOM 641 C VAL A 49 -8.598 -4.611 -3.327 1.00 0.00 C ATOM 642 O VAL A 49 -9.685 -5.124 -3.062 1.00 0.00 O ATOM 643 CB VAL A 49 -8.592 -2.116 -3.403 1.00 0.00 C ATOM 644 CG1 VAL A 49 -8.174 -0.837 -2.694 1.00 0.00 C ATOM 645 CG2 VAL A 49 -8.035 -2.158 -4.818 1.00 0.00 C ATOM 0 H VAL A 49 -6.150 -3.362 -3.289 1.00 0.00 H new ATOM 0 HA VAL A 49 -8.578 -3.319 -1.611 1.00 0.00 H new ATOM 0 HB VAL A 49 -9.680 -2.130 -3.466 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.507 0.025 -3.272 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.626 -0.806 -1.703 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.088 -0.812 -2.598 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.370 -1.278 -5.367 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.946 -2.169 -4.780 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.390 -3.057 -5.322 1.00 0.00 H new ATOM 655 N SER A 50 -7.767 -5.105 -4.240 1.00 0.00 N ATOM 656 CA SER A 50 -8.096 -6.303 -5.003 1.00 0.00 C ATOM 657 C SER A 50 -7.853 -7.560 -4.172 1.00 0.00 C ATOM 658 O SER A 50 -8.671 -8.479 -4.163 1.00 0.00 O ATOM 659 CB SER A 50 -7.266 -6.359 -6.287 1.00 0.00 C ATOM 660 OG SER A 50 -7.963 -7.040 -7.316 1.00 0.00 O ATOM 0 H SER A 50 -6.862 -4.694 -4.469 1.00 0.00 H new ATOM 0 HA SER A 50 -9.153 -6.259 -5.264 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.027 -5.347 -6.614 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.319 -6.862 -6.090 1.00 0.00 H new ATOM 0 HG SER A 50 -7.412 -7.061 -8.126 1.00 0.00 H new ATOM 666 N CYS A 51 -6.722 -7.591 -3.475 1.00 0.00 N ATOM 667 CA CYS A 51 -6.369 -8.733 -2.641 1.00 0.00 C ATOM 668 C CYS A 51 -6.410 -8.359 -1.162 1.00 0.00 C ATOM 669 O CYS A 51 -6.430 -9.229 -0.292 1.00 0.00 O ATOM 670 CB CYS A 51 -4.977 -9.250 -3.009 1.00 0.00 C ATOM 671 SG CYS A 51 -3.614 -8.173 -2.459 1.00 0.00 S ATOM 0 H CYS A 51 -6.034 -6.838 -3.471 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.100 -9.521 -2.819 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -4.842 -10.240 -2.573 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.919 -9.367 -4.091 1.00 0.00 H new ATOM 676 N MET A 52 -6.422 -7.059 -0.886 1.00 0.00 N ATOM 677 CA MET A 52 -6.461 -6.570 0.488 1.00 0.00 C ATOM 678 C MET A 52 -5.269 -7.091 1.285 1.00 0.00 C ATOM 679 O MET A 52 -5.424 -7.573 2.407 1.00 0.00 O ATOM 680 CB MET A 52 -7.766 -6.993 1.165 1.00 0.00 C ATOM 681 CG MET A 52 -9.010 -6.447 0.482 1.00 0.00 C ATOM 682 SD MET A 52 -9.516 -4.846 1.138 1.00 0.00 S ATOM 683 CE MET A 52 -11.126 -5.249 1.811 1.00 0.00 C ATOM 0 H MET A 52 -6.405 -6.326 -1.595 1.00 0.00 H new ATOM 0 HA MET A 52 -6.410 -5.482 0.462 1.00 0.00 H new ATOM 0 HB2 MET A 52 -7.820 -8.082 1.184 1.00 0.00 H new ATOM 0 HB3 MET A 52 -7.753 -6.657 2.202 1.00 0.00 H new ATOM 0 HG2 MET A 52 -8.821 -6.354 -0.588 1.00 0.00 H new ATOM 0 HG3 MET A 52 -9.827 -7.159 0.601 1.00 0.00 H new ATOM 0 HE1 MET A 52 -11.569 -4.357 2.254 1.00 0.00 H new ATOM 0 HE2 MET A 52 -11.772 -5.617 1.014 1.00 0.00 H new ATOM 0 HE3 MET A 52 -11.019 -6.019 2.575 1.00 0.00 H new ATOM 693 N SER A 53 -4.081 -6.992 0.698 1.00 0.00 N ATOM 694 CA SER A 53 -2.864 -7.457 1.352 1.00 0.00 C ATOM 695 C SER A 53 -2.128 -6.298 2.018 1.00 0.00 C ATOM 696 O SER A 53 -2.136 -5.174 1.516 1.00 0.00 O ATOM 697 CB SER A 53 -1.946 -8.143 0.339 1.00 0.00 C ATOM 698 OG SER A 53 -2.402 -9.452 0.042 1.00 0.00 O ATOM 0 H SER A 53 -3.935 -6.594 -0.230 1.00 0.00 H new ATOM 0 HA SER A 53 -3.146 -8.176 2.121 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.904 -7.553 -0.576 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.932 -8.189 0.735 1.00 0.00 H new ATOM 0 HG SER A 53 -3.007 -9.421 -0.728 1.00 0.00 H new ATOM 704 N GLU A 54 -1.494 -6.581 3.151 1.00 0.00 N ATOM 705 CA GLU A 54 -0.754 -5.562 3.887 1.00 0.00 C ATOM 706 C GLU A 54 0.358 -4.970 3.026 1.00 0.00 C ATOM 707 O GLU A 54 1.091 -5.695 2.353 1.00 0.00 O ATOM 708 CB GLU A 54 -0.163 -6.154 5.168 1.00 0.00 C ATOM 709 CG GLU A 54 -1.208 -6.715 6.117 1.00 0.00 C ATOM 710 CD GLU A 54 -0.758 -6.681 7.565 1.00 0.00 C ATOM 711 OE1 GLU A 54 0.394 -7.079 7.838 1.00 0.00 O ATOM 712 OE2 GLU A 54 -1.558 -6.258 8.426 1.00 0.00 O ATOM 0 H GLU A 54 -1.478 -7.507 3.579 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.449 -4.765 4.152 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.537 -6.946 4.903 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.408 -5.383 5.685 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.131 -6.145 6.014 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.435 -7.743 5.835 1.00 0.00 H new ATOM 719 N LYS A 55 0.479 -3.647 3.053 1.00 0.00 N ATOM 720 CA LYS A 55 1.501 -2.955 2.278 1.00 0.00 C ATOM 721 C LYS A 55 2.878 -3.132 2.911 1.00 0.00 C ATOM 722 O LYS A 55 3.063 -2.944 4.114 1.00 0.00 O ATOM 723 CB LYS A 55 1.167 -1.466 2.168 1.00 0.00 C ATOM 724 CG LYS A 55 2.221 -0.658 1.430 1.00 0.00 C ATOM 725 CD LYS A 55 1.767 0.774 1.201 1.00 0.00 C ATOM 726 CE LYS A 55 2.950 1.725 1.107 1.00 0.00 C ATOM 727 NZ LYS A 55 3.764 1.479 -0.116 1.00 0.00 N ATOM 0 H LYS A 55 -0.119 -3.032 3.604 1.00 0.00 H new ATOM 0 HA LYS A 55 1.521 -3.392 1.279 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.211 -1.354 1.656 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.042 -1.055 3.170 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.149 -0.659 2.002 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.437 -1.130 0.471 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.181 0.829 0.284 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.113 1.084 2.016 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.590 2.754 1.102 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.578 1.611 1.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.667 1.038 0.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.245 0.845 -0.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.949 2.382 -0.598 1.00 0.00 H new ATOM 741 N PRO A 56 3.867 -3.502 2.085 1.00 0.00 N ATOM 742 CA PRO A 56 5.244 -3.710 2.542 1.00 0.00 C ATOM 743 C PRO A 56 5.928 -2.405 2.936 1.00 0.00 C ATOM 744 O PRO A 56 5.896 -1.427 2.191 1.00 0.00 O ATOM 745 CB PRO A 56 5.933 -4.328 1.323 1.00 0.00 C ATOM 746 CG PRO A 56 5.138 -3.852 0.156 1.00 0.00 C ATOM 747 CD PRO A 56 3.718 -3.744 0.640 1.00 0.00 C ATOM 0 HA PRO A 56 5.287 -4.334 3.435 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.972 -4.008 1.251 1.00 0.00 H new ATOM 0 HB3 PRO A 56 5.938 -5.416 1.381 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.504 -2.889 -0.199 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.214 -4.549 -0.679 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.187 -2.929 0.149 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.155 -4.656 0.441 1.00 0.00 H new ATOM 755 N GLY A 57 6.547 -2.398 4.113 1.00 0.00 N ATOM 756 CA GLY A 57 7.230 -1.208 4.585 1.00 0.00 C ATOM 757 C GLY A 57 6.303 -0.013 4.695 1.00 0.00 C ATOM 758 O GLY A 57 5.095 -0.176 4.535 1.00 0.00 O ATOM 0 H GLY A 57 6.587 -3.195 4.748 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.674 -1.410 5.560 1.00 0.00 H new ATOM 0 HA3 GLY A 57 8.048 -0.968 3.905 1.00 0.00 H new TER 762 GLY A 57 HETATM 763 ZN ZN A 201 -2.747 -6.671 -3.890 1.00 0.00 ZN