USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 618 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 17 MET CE :methyl -138:sc= -0.239 (180deg=-0.605) 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 76:sc= 1.06 USER MOD Single : A 5 SER OG : rot 41:sc= 1.01 USER MOD Single : A 6 SER OG : rot 175:sc= -1.2 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.675 USER MOD Single : A 27 SER OG : rot -71:sc= 0.549 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot 10:sc= 0.395 USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.21 K(o=-0.21,f=-2.1!) USER MOD Single : A 56 GLN : amide:sc= -0.0563 X(o=-0.056,f=-0.29) USER MOD Single : A 57 SER OG : rot 88:sc= 0.975 USER MOD Single : A 59 CYS SG : rot 74:sc= -0.309 USER MOD Single : A 66 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0896) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HE2:sc= -1.49 K(o=-1.5,f=-0.96) USER MOD Single : A 73 SER OG : rot 180:sc= -0.0308 USER MOD Single : A 74 ASN : amide:sc= -0.0493 X(o=-0.049,f=0.25) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -0.975 K(o=-0.98,f=-2.2!) USER MOD Single : A 80 ASN : amide:sc= -0.197 K(o=-0.2,f=-0.95) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc=-0.00927 X(o=-0.0093,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= -0.0113 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.878 10.537 9.861 1.00 0.00 N ATOM 2 CA GLY A 1 -10.554 11.783 9.553 1.00 0.00 C ATOM 3 C GLY A 1 -10.373 12.197 8.106 1.00 0.00 C ATOM 4 O GLY A 1 -10.533 11.384 7.195 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.031 10.297 10.861 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.258 9.778 9.260 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.859 10.642 9.683 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.618 11.679 9.768 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.173 12.570 10.204 1.00 0.00 H new ATOM 8 N SER A 2 -10.040 13.466 7.893 1.00 0.00 N ATOM 9 CA SER A 2 -9.843 13.989 6.545 1.00 0.00 C ATOM 10 C SER A 2 -8.379 14.351 6.312 1.00 0.00 C ATOM 11 O SER A 2 -7.961 15.483 6.556 1.00 0.00 O ATOM 12 CB SER A 2 -10.726 15.217 6.318 1.00 0.00 C ATOM 13 OG SER A 2 -12.095 14.903 6.503 1.00 0.00 O ATOM 0 H SER A 2 -9.901 14.151 8.636 1.00 0.00 H new ATOM 0 HA SER A 2 -10.125 13.212 5.835 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.435 16.010 7.007 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.571 15.599 5.309 1.00 0.00 H new ATOM 0 HG SER A 2 -12.638 15.705 6.354 1.00 0.00 H new ATOM 19 N SER A 3 -7.604 13.380 5.839 1.00 0.00 N ATOM 20 CA SER A 3 -6.186 13.593 5.575 1.00 0.00 C ATOM 21 C SER A 3 -5.632 12.503 4.663 1.00 0.00 C ATOM 22 O SER A 3 -5.941 11.324 4.829 1.00 0.00 O ATOM 23 CB SER A 3 -5.401 13.622 6.888 1.00 0.00 C ATOM 24 OG SER A 3 -5.274 12.322 7.436 1.00 0.00 O ATOM 0 H SER A 3 -7.935 12.438 5.631 1.00 0.00 H new ATOM 0 HA SER A 3 -6.076 14.553 5.071 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.411 14.045 6.714 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.905 14.273 7.602 1.00 0.00 H new ATOM 0 HG SER A 3 -4.592 11.823 6.940 1.00 0.00 H new ATOM 30 N GLY A 4 -4.812 12.907 3.697 1.00 0.00 N ATOM 31 CA GLY A 4 -4.229 11.954 2.772 1.00 0.00 C ATOM 32 C GLY A 4 -5.013 11.847 1.479 1.00 0.00 C ATOM 33 O GLY A 4 -6.202 12.163 1.438 1.00 0.00 O ATOM 0 H GLY A 4 -4.541 13.878 3.539 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.204 12.250 2.548 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.182 10.974 3.247 1.00 0.00 H new ATOM 37 N SER A 5 -4.346 11.399 0.419 1.00 0.00 N ATOM 38 CA SER A 5 -4.987 11.256 -0.882 1.00 0.00 C ATOM 39 C SER A 5 -5.252 9.787 -1.198 1.00 0.00 C ATOM 40 O SER A 5 -4.353 9.057 -1.614 1.00 0.00 O ATOM 41 CB SER A 5 -4.113 11.874 -1.975 1.00 0.00 C ATOM 42 OG SER A 5 -2.863 11.212 -2.065 1.00 0.00 O ATOM 0 H SER A 5 -3.362 11.129 0.437 1.00 0.00 H new ATOM 0 HA SER A 5 -5.942 11.781 -0.849 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.629 11.815 -2.934 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.954 12.931 -1.763 1.00 0.00 H new ATOM 0 HG SER A 5 -2.996 10.246 -1.965 1.00 0.00 H new ATOM 48 N SER A 6 -6.496 9.361 -0.997 1.00 0.00 N ATOM 49 CA SER A 6 -6.881 7.978 -1.257 1.00 0.00 C ATOM 50 C SER A 6 -5.734 7.025 -0.932 1.00 0.00 C ATOM 51 O SER A 6 -4.900 6.727 -1.786 1.00 0.00 O ATOM 52 CB SER A 6 -7.302 7.809 -2.717 1.00 0.00 C ATOM 53 OG SER A 6 -7.835 6.517 -2.948 1.00 0.00 O ATOM 0 H SER A 6 -7.253 9.953 -0.655 1.00 0.00 H new ATOM 0 HA SER A 6 -7.726 7.735 -0.613 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.045 8.564 -2.974 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.443 7.973 -3.368 1.00 0.00 H new ATOM 0 HG SER A 6 -8.171 6.461 -3.867 1.00 0.00 H new ATOM 59 N GLY A 7 -5.700 6.551 0.309 1.00 0.00 N ATOM 60 CA GLY A 7 -4.653 5.636 0.725 1.00 0.00 C ATOM 61 C GLY A 7 -5.141 4.614 1.733 1.00 0.00 C ATOM 62 O GLY A 7 -6.057 4.888 2.509 1.00 0.00 O ATOM 0 H GLY A 7 -6.379 6.784 1.034 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.258 5.119 -0.150 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.830 6.204 1.158 1.00 0.00 H new ATOM 66 N VAL A 8 -4.531 3.434 1.721 1.00 0.00 N ATOM 67 CA VAL A 8 -4.909 2.368 2.641 1.00 0.00 C ATOM 68 C VAL A 8 -3.690 1.571 3.090 1.00 0.00 C ATOM 69 O VAL A 8 -2.660 1.558 2.414 1.00 0.00 O ATOM 70 CB VAL A 8 -5.928 1.409 1.999 1.00 0.00 C ATOM 71 CG1 VAL A 8 -7.311 2.042 1.964 1.00 0.00 C ATOM 72 CG2 VAL A 8 -5.479 1.013 0.600 1.00 0.00 C ATOM 0 H VAL A 8 -3.772 3.192 1.084 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.366 2.845 3.508 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.984 0.507 2.608 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.017 1.349 1.507 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.633 2.270 2.980 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.276 2.962 1.380 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.211 0.335 0.161 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.393 1.905 -0.021 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.511 0.515 0.656 1.00 0.00 H new ATOM 82 N PHE A 9 -3.812 0.906 4.234 1.00 0.00 N ATOM 83 CA PHE A 9 -2.720 0.106 4.774 1.00 0.00 C ATOM 84 C PHE A 9 -2.874 -1.361 4.383 1.00 0.00 C ATOM 85 O PHE A 9 -3.951 -1.942 4.518 1.00 0.00 O ATOM 86 CB PHE A 9 -2.668 0.236 6.297 1.00 0.00 C ATOM 87 CG PHE A 9 -1.687 1.266 6.779 1.00 0.00 C ATOM 88 CD1 PHE A 9 -2.040 2.605 6.835 1.00 0.00 C ATOM 89 CD2 PHE A 9 -0.413 0.895 7.176 1.00 0.00 C ATOM 90 CE1 PHE A 9 -1.138 3.554 7.277 1.00 0.00 C ATOM 91 CE2 PHE A 9 0.493 1.840 7.618 1.00 0.00 C ATOM 92 CZ PHE A 9 0.130 3.171 7.671 1.00 0.00 C ATOM 0 H PHE A 9 -4.657 0.906 4.805 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.787 0.480 4.352 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.661 0.492 6.666 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -2.408 -0.731 6.727 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.030 2.910 6.530 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.124 -0.145 7.140 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.424 4.595 7.315 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.484 1.538 7.922 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.835 3.911 8.020 1.00 0.00 H new ATOM 102 N VAL A 10 -1.790 -1.954 3.894 1.00 0.00 N ATOM 103 CA VAL A 10 -1.803 -3.354 3.483 1.00 0.00 C ATOM 104 C VAL A 10 -0.928 -4.204 4.397 1.00 0.00 C ATOM 105 O VAL A 10 0.157 -4.635 4.009 1.00 0.00 O ATOM 106 CB VAL A 10 -1.319 -3.515 2.030 1.00 0.00 C ATOM 107 CG1 VAL A 10 -1.139 -4.987 1.688 1.00 0.00 C ATOM 108 CG2 VAL A 10 -2.292 -2.852 1.068 1.00 0.00 C ATOM 0 H VAL A 10 -0.891 -1.487 3.772 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.835 -3.696 3.555 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.352 -3.022 1.930 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.797 -5.082 0.658 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.401 -5.429 2.358 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.090 -5.506 1.804 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.934 -2.976 0.046 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.274 -3.315 1.167 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.366 -1.790 1.300 1.00 0.00 H new ATOM 118 N GLY A 11 -1.407 -4.441 5.614 1.00 0.00 N ATOM 119 CA GLY A 11 -0.656 -5.239 6.565 1.00 0.00 C ATOM 120 C GLY A 11 -0.573 -6.697 6.161 1.00 0.00 C ATOM 121 O GLY A 11 -1.077 -7.085 5.106 1.00 0.00 O ATOM 0 H GLY A 11 -2.302 -4.094 5.958 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.351 -4.833 6.659 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -1.123 -5.163 7.547 1.00 0.00 H new ATOM 125 N ARG A 12 0.064 -7.507 7.000 1.00 0.00 N ATOM 126 CA ARG A 12 0.212 -8.931 6.723 1.00 0.00 C ATOM 127 C ARG A 12 0.927 -9.154 5.392 1.00 0.00 C ATOM 128 O ARG A 12 0.665 -10.133 4.693 1.00 0.00 O ATOM 129 CB ARG A 12 -1.157 -9.613 6.697 1.00 0.00 C ATOM 130 CG ARG A 12 -1.372 -10.587 7.845 1.00 0.00 C ATOM 131 CD ARG A 12 -1.814 -11.952 7.342 1.00 0.00 C ATOM 132 NE ARG A 12 -3.267 -12.104 7.374 1.00 0.00 N ATOM 133 CZ ARG A 12 -3.981 -12.089 8.494 1.00 0.00 C ATOM 134 NH1 ARG A 12 -3.383 -11.929 9.666 1.00 0.00 N ATOM 135 NH2 ARG A 12 -5.300 -12.234 8.442 1.00 0.00 N ATOM 0 H ARG A 12 0.486 -7.202 7.877 1.00 0.00 H new ATOM 0 HA ARG A 12 0.814 -9.369 7.519 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -1.935 -8.850 6.728 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.271 -10.146 5.753 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -0.448 -10.690 8.414 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.124 -10.188 8.526 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.457 -12.095 6.322 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -1.355 -12.729 7.953 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.759 -12.228 6.489 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -2.370 -11.817 9.711 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.936 -11.918 10.523 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.764 -12.357 7.542 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.849 -12.223 9.302 1.00 0.00 H new ATOM 149 N CYS A 13 1.829 -8.240 5.052 1.00 0.00 N ATOM 150 CA CYS A 13 2.581 -8.336 3.806 1.00 0.00 C ATOM 151 C CYS A 13 3.957 -8.948 4.047 1.00 0.00 C ATOM 152 O CYS A 13 4.308 -9.289 5.176 1.00 0.00 O ATOM 153 CB CYS A 13 2.729 -6.955 3.167 1.00 0.00 C ATOM 154 SG CYS A 13 2.104 -6.854 1.474 1.00 0.00 S ATOM 0 H CYS A 13 2.057 -7.425 5.621 1.00 0.00 H new ATOM 0 HA CYS A 13 2.028 -8.985 3.127 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.203 -6.224 3.781 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.783 -6.676 3.171 1.00 0.00 H new ATOM 0 HG CYS A 13 2.271 -5.647 1.021 1.00 0.00 H new ATOM 160 N THR A 14 4.734 -9.086 2.977 1.00 0.00 N ATOM 161 CA THR A 14 6.070 -9.659 3.071 1.00 0.00 C ATOM 162 C THR A 14 7.061 -8.887 2.208 1.00 0.00 C ATOM 163 O THR A 14 6.688 -7.953 1.500 1.00 0.00 O ATOM 164 CB THR A 14 6.078 -11.139 2.643 1.00 0.00 C ATOM 165 OG1 THR A 14 5.889 -11.240 1.227 1.00 0.00 O ATOM 166 CG2 THR A 14 4.987 -11.917 3.363 1.00 0.00 C ATOM 0 H THR A 14 4.460 -8.808 2.035 1.00 0.00 H new ATOM 0 HA THR A 14 6.371 -9.589 4.116 1.00 0.00 H new ATOM 0 HB THR A 14 7.044 -11.567 2.912 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.897 -12.184 0.962 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.013 -12.959 3.044 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.151 -11.862 4.439 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.015 -11.488 3.122 1.00 0.00 H new ATOM 174 N GLY A 15 8.330 -9.284 2.272 1.00 0.00 N ATOM 175 CA GLY A 15 9.356 -8.618 1.490 1.00 0.00 C ATOM 176 C GLY A 15 9.418 -9.126 0.063 1.00 0.00 C ATOM 177 O GLY A 15 9.534 -8.340 -0.877 1.00 0.00 O ATOM 0 H GLY A 15 8.665 -10.054 2.851 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.164 -7.545 1.482 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.325 -8.765 1.967 1.00 0.00 H new ATOM 181 N ASP A 16 9.344 -10.442 -0.098 1.00 0.00 N ATOM 182 CA ASP A 16 9.395 -11.054 -1.421 1.00 0.00 C ATOM 183 C ASP A 16 8.638 -10.208 -2.440 1.00 0.00 C ATOM 184 O ASP A 16 9.140 -9.936 -3.531 1.00 0.00 O ATOM 185 CB ASP A 16 8.808 -12.466 -1.376 1.00 0.00 C ATOM 186 CG ASP A 16 8.197 -12.882 -2.700 1.00 0.00 C ATOM 187 OD1 ASP A 16 8.680 -12.410 -3.750 1.00 0.00 O ATOM 188 OD2 ASP A 16 7.236 -13.678 -2.685 1.00 0.00 O ATOM 0 H ASP A 16 9.249 -11.106 0.671 1.00 0.00 H new ATOM 0 HA ASP A 16 10.439 -11.112 -1.727 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.591 -13.173 -1.102 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.047 -12.515 -0.597 1.00 0.00 H new ATOM 193 N MET A 17 7.428 -9.795 -2.077 1.00 0.00 N ATOM 194 CA MET A 17 6.603 -8.979 -2.961 1.00 0.00 C ATOM 195 C MET A 17 7.279 -7.644 -3.257 1.00 0.00 C ATOM 196 O MET A 17 8.077 -7.149 -2.459 1.00 0.00 O ATOM 197 CB MET A 17 5.229 -8.740 -2.333 1.00 0.00 C ATOM 198 CG MET A 17 4.475 -10.022 -2.014 1.00 0.00 C ATOM 199 SD MET A 17 2.689 -9.783 -1.966 1.00 0.00 S ATOM 200 CE MET A 17 2.233 -10.908 -0.648 1.00 0.00 C ATOM 0 H MET A 17 6.997 -10.012 -1.178 1.00 0.00 H new ATOM 0 HA MET A 17 6.477 -9.518 -3.900 1.00 0.00 H new ATOM 0 HB2 MET A 17 5.353 -8.163 -1.416 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.629 -8.134 -3.012 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.717 -10.777 -2.762 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.812 -10.407 -1.052 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.327 -11.447 -0.927 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.042 -11.619 -0.481 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.052 -10.343 0.266 1.00 0.00 H new ATOM 210 N THR A 18 6.955 -7.064 -4.409 1.00 0.00 N ATOM 211 CA THR A 18 7.532 -5.787 -4.810 1.00 0.00 C ATOM 212 C THR A 18 6.446 -4.793 -5.205 1.00 0.00 C ATOM 213 O THR A 18 5.367 -5.184 -5.650 1.00 0.00 O ATOM 214 CB THR A 18 8.509 -5.957 -5.988 1.00 0.00 C ATOM 215 OG1 THR A 18 7.880 -6.690 -7.045 1.00 0.00 O ATOM 216 CG2 THR A 18 9.770 -6.684 -5.543 1.00 0.00 C ATOM 0 H THR A 18 6.296 -7.459 -5.080 1.00 0.00 H new ATOM 0 HA THR A 18 8.077 -5.402 -3.948 1.00 0.00 H new ATOM 0 HB THR A 18 8.786 -4.966 -6.348 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.508 -6.792 -7.791 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.446 -6.793 -6.391 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.263 -6.111 -4.758 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.506 -7.670 -5.161 1.00 0.00 H new ATOM 224 N GLU A 19 6.738 -3.507 -5.042 1.00 0.00 N ATOM 225 CA GLU A 19 5.785 -2.457 -5.382 1.00 0.00 C ATOM 226 C GLU A 19 5.077 -2.773 -6.697 1.00 0.00 C ATOM 227 O GLU A 19 3.922 -2.395 -6.898 1.00 0.00 O ATOM 228 CB GLU A 19 6.496 -1.106 -5.484 1.00 0.00 C ATOM 229 CG GLU A 19 7.064 -0.617 -4.163 1.00 0.00 C ATOM 230 CD GLU A 19 8.132 0.445 -4.345 1.00 0.00 C ATOM 231 OE1 GLU A 19 9.317 0.075 -4.482 1.00 0.00 O ATOM 232 OE2 GLU A 19 7.783 1.643 -4.351 1.00 0.00 O ATOM 0 H GLU A 19 7.627 -3.167 -4.676 1.00 0.00 H new ATOM 0 HA GLU A 19 5.039 -2.407 -4.589 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.304 -1.184 -6.211 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.795 -0.364 -5.866 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.257 -0.214 -3.551 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.486 -1.462 -3.618 1.00 0.00 H new ATOM 239 N ASP A 20 5.777 -3.464 -7.589 1.00 0.00 N ATOM 240 CA ASP A 20 5.217 -3.831 -8.884 1.00 0.00 C ATOM 241 C ASP A 20 4.103 -4.860 -8.723 1.00 0.00 C ATOM 242 O ASP A 20 3.003 -4.686 -9.247 1.00 0.00 O ATOM 243 CB ASP A 20 6.310 -4.383 -9.800 1.00 0.00 C ATOM 244 CG ASP A 20 7.370 -3.349 -10.126 1.00 0.00 C ATOM 245 OD1 ASP A 20 7.007 -2.169 -10.316 1.00 0.00 O ATOM 246 OD2 ASP A 20 8.560 -3.719 -10.193 1.00 0.00 O ATOM 0 H ASP A 20 6.735 -3.782 -7.439 1.00 0.00 H new ATOM 0 HA ASP A 20 4.795 -2.933 -9.336 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.780 -5.243 -9.322 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.858 -4.740 -10.725 1.00 0.00 H new ATOM 251 N GLU A 21 4.397 -5.933 -7.995 1.00 0.00 N ATOM 252 CA GLU A 21 3.419 -6.992 -7.766 1.00 0.00 C ATOM 253 C GLU A 21 2.099 -6.414 -7.264 1.00 0.00 C ATOM 254 O GLU A 21 1.060 -6.556 -7.909 1.00 0.00 O ATOM 255 CB GLU A 21 3.961 -8.007 -6.759 1.00 0.00 C ATOM 256 CG GLU A 21 5.207 -8.734 -7.237 1.00 0.00 C ATOM 257 CD GLU A 21 5.383 -10.087 -6.575 1.00 0.00 C ATOM 258 OE1 GLU A 21 4.893 -10.261 -5.440 1.00 0.00 O ATOM 259 OE2 GLU A 21 6.013 -10.972 -7.193 1.00 0.00 O ATOM 0 H GLU A 21 5.303 -6.092 -7.554 1.00 0.00 H new ATOM 0 HA GLU A 21 3.237 -7.495 -8.715 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.186 -7.494 -5.824 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.184 -8.740 -6.541 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.154 -8.867 -8.318 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.083 -8.118 -7.034 1.00 0.00 H new ATOM 266 N LEU A 22 2.149 -5.763 -6.106 1.00 0.00 N ATOM 267 CA LEU A 22 0.957 -5.163 -5.516 1.00 0.00 C ATOM 268 C LEU A 22 0.318 -4.162 -6.472 1.00 0.00 C ATOM 269 O LEU A 22 -0.892 -4.184 -6.694 1.00 0.00 O ATOM 270 CB LEU A 22 1.310 -4.472 -4.197 1.00 0.00 C ATOM 271 CG LEU A 22 1.700 -5.393 -3.040 1.00 0.00 C ATOM 272 CD1 LEU A 22 2.601 -4.663 -2.056 1.00 0.00 C ATOM 273 CD2 LEU A 22 0.458 -5.921 -2.337 1.00 0.00 C ATOM 0 H LEU A 22 3.000 -5.638 -5.558 1.00 0.00 H new ATOM 0 HA LEU A 22 0.239 -5.960 -5.322 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.134 -3.783 -4.380 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.456 -3.871 -3.885 1.00 0.00 H new ATOM 0 HG LEU A 22 2.252 -6.241 -3.446 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.868 -5.334 -1.240 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.506 -4.334 -2.566 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.075 -3.796 -1.655 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.754 -6.575 -1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.121 -5.085 -1.944 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.151 -6.482 -3.046 1.00 0.00 H new ATOM 285 N ARG A 23 1.141 -3.286 -7.039 1.00 0.00 N ATOM 286 CA ARG A 23 0.657 -2.276 -7.973 1.00 0.00 C ATOM 287 C ARG A 23 -0.071 -2.926 -9.146 1.00 0.00 C ATOM 288 O ARG A 23 -1.030 -2.368 -9.678 1.00 0.00 O ATOM 289 CB ARG A 23 1.821 -1.428 -8.489 1.00 0.00 C ATOM 290 CG ARG A 23 1.446 -0.520 -9.648 1.00 0.00 C ATOM 291 CD ARG A 23 2.517 0.530 -9.903 1.00 0.00 C ATOM 292 NE ARG A 23 3.590 0.021 -10.755 1.00 0.00 N ATOM 293 CZ ARG A 23 4.701 0.697 -11.019 1.00 0.00 C ATOM 294 NH1 ARG A 23 4.886 1.904 -10.500 1.00 0.00 N ATOM 295 NH2 ARG A 23 5.632 0.168 -11.803 1.00 0.00 N ATOM 0 H ARG A 23 2.146 -3.255 -6.868 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.045 -1.633 -7.442 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.206 -0.819 -7.671 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.629 -2.088 -8.803 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.300 -1.118 -10.548 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.497 -0.029 -9.434 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.064 1.403 -10.373 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.935 0.860 -8.952 1.00 0.00 H new ATOM 0 HE ARG A 23 3.479 -0.904 -11.169 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.173 2.314 -9.897 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.741 2.422 -10.704 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.494 -0.760 -12.204 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.485 0.689 -12.005 1.00 0.00 H new ATOM 309 N GLU A 24 0.392 -4.107 -9.542 1.00 0.00 N ATOM 310 CA GLU A 24 -0.215 -4.832 -10.653 1.00 0.00 C ATOM 311 C GLU A 24 -1.402 -5.665 -10.175 1.00 0.00 C ATOM 312 O GLU A 24 -2.249 -6.073 -10.970 1.00 0.00 O ATOM 313 CB GLU A 24 0.818 -5.736 -11.327 1.00 0.00 C ATOM 314 CG GLU A 24 1.321 -5.200 -12.656 1.00 0.00 C ATOM 315 CD GLU A 24 0.221 -5.092 -13.695 1.00 0.00 C ATOM 316 OE1 GLU A 24 -0.297 -6.145 -14.120 1.00 0.00 O ATOM 317 OE2 GLU A 24 -0.121 -3.955 -14.082 1.00 0.00 O ATOM 0 H GLU A 24 1.185 -4.582 -9.111 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.574 -4.101 -11.377 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.665 -5.869 -10.655 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.378 -6.721 -11.485 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.768 -4.218 -12.502 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.108 -5.853 -13.032 1.00 0.00 H new ATOM 324 N PHE A 25 -1.454 -5.914 -8.870 1.00 0.00 N ATOM 325 CA PHE A 25 -2.536 -6.700 -8.286 1.00 0.00 C ATOM 326 C PHE A 25 -3.720 -5.810 -7.922 1.00 0.00 C ATOM 327 O PHE A 25 -4.873 -6.240 -7.970 1.00 0.00 O ATOM 328 CB PHE A 25 -2.040 -7.442 -7.043 1.00 0.00 C ATOM 329 CG PHE A 25 -3.121 -8.202 -6.327 1.00 0.00 C ATOM 330 CD1 PHE A 25 -3.590 -9.405 -6.831 1.00 0.00 C ATOM 331 CD2 PHE A 25 -3.668 -7.713 -5.152 1.00 0.00 C ATOM 332 CE1 PHE A 25 -4.585 -10.105 -6.175 1.00 0.00 C ATOM 333 CE2 PHE A 25 -4.663 -8.409 -4.492 1.00 0.00 C ATOM 334 CZ PHE A 25 -5.122 -9.607 -5.004 1.00 0.00 C ATOM 0 H PHE A 25 -0.761 -5.584 -8.198 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.866 -7.427 -9.028 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.251 -8.136 -7.334 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -1.595 -6.724 -6.354 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.174 -9.800 -7.746 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -3.313 -6.777 -4.747 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -4.942 -11.041 -6.578 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -5.081 -8.017 -3.577 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.899 -10.153 -4.490 1.00 0.00 H new ATOM 344 N PHE A 26 -3.428 -4.565 -7.558 1.00 0.00 N ATOM 345 CA PHE A 26 -4.467 -3.614 -7.185 1.00 0.00 C ATOM 346 C PHE A 26 -4.934 -2.814 -8.397 1.00 0.00 C ATOM 347 O PHE A 26 -5.793 -1.941 -8.284 1.00 0.00 O ATOM 348 CB PHE A 26 -3.953 -2.664 -6.100 1.00 0.00 C ATOM 349 CG PHE A 26 -3.979 -3.258 -4.721 1.00 0.00 C ATOM 350 CD1 PHE A 26 -5.181 -3.606 -4.125 1.00 0.00 C ATOM 351 CD2 PHE A 26 -2.802 -3.472 -4.021 1.00 0.00 C ATOM 352 CE1 PHE A 26 -5.207 -4.151 -2.855 1.00 0.00 C ATOM 353 CE2 PHE A 26 -2.823 -4.018 -2.753 1.00 0.00 C ATOM 354 CZ PHE A 26 -4.027 -4.359 -2.168 1.00 0.00 C ATOM 0 H PHE A 26 -2.480 -4.192 -7.514 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.315 -4.176 -6.795 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.932 -2.369 -6.341 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.557 -1.756 -6.107 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.107 -3.450 -4.658 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.857 -3.208 -4.473 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.150 -4.414 -2.400 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.898 -4.178 -2.219 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.046 -4.787 -1.177 1.00 0.00 H new ATOM 364 N SER A 27 -4.360 -3.120 -9.556 1.00 0.00 N ATOM 365 CA SER A 27 -4.713 -2.428 -10.790 1.00 0.00 C ATOM 366 C SER A 27 -5.971 -3.029 -11.409 1.00 0.00 C ATOM 367 O SER A 27 -6.726 -2.342 -12.097 1.00 0.00 O ATOM 368 CB SER A 27 -3.556 -2.498 -11.789 1.00 0.00 C ATOM 369 OG SER A 27 -3.398 -3.811 -12.295 1.00 0.00 O ATOM 0 H SER A 27 -3.649 -3.843 -9.666 1.00 0.00 H new ATOM 0 HA SER A 27 -4.911 -1.384 -10.547 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.740 -1.807 -12.612 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.633 -2.178 -11.305 1.00 0.00 H new ATOM 0 HG SER A 27 -3.045 -4.393 -11.590 1.00 0.00 H new ATOM 375 N GLN A 28 -6.188 -4.317 -11.161 1.00 0.00 N ATOM 376 CA GLN A 28 -7.354 -5.011 -11.694 1.00 0.00 C ATOM 377 C GLN A 28 -8.629 -4.551 -10.995 1.00 0.00 C ATOM 378 O GLN A 28 -9.722 -4.641 -11.554 1.00 0.00 O ATOM 379 CB GLN A 28 -7.189 -6.524 -11.537 1.00 0.00 C ATOM 380 CG GLN A 28 -7.753 -7.066 -10.234 1.00 0.00 C ATOM 381 CD GLN A 28 -7.707 -8.579 -10.163 1.00 0.00 C ATOM 382 OE1 GLN A 28 -8.569 -9.264 -10.714 1.00 0.00 O ATOM 383 NE2 GLN A 28 -6.699 -9.110 -9.481 1.00 0.00 N ATOM 0 H GLN A 28 -5.572 -4.900 -10.595 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.436 -4.769 -12.754 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -7.681 -7.023 -12.372 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.130 -6.774 -11.596 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.191 -6.650 -9.398 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.785 -6.732 -10.122 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.007 -8.505 -9.040 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.617 -10.123 -9.398 1.00 0.00 H new ATOM 392 N TYR A 29 -8.482 -4.061 -9.769 1.00 0.00 N ATOM 393 CA TYR A 29 -9.622 -3.591 -8.992 1.00 0.00 C ATOM 394 C TYR A 29 -10.110 -2.239 -9.505 1.00 0.00 C ATOM 395 O TYR A 29 -11.306 -2.036 -9.711 1.00 0.00 O ATOM 396 CB TYR A 29 -9.248 -3.483 -7.513 1.00 0.00 C ATOM 397 CG TYR A 29 -9.003 -4.820 -6.851 1.00 0.00 C ATOM 398 CD1 TYR A 29 -7.778 -5.464 -6.973 1.00 0.00 C ATOM 399 CD2 TYR A 29 -9.997 -5.439 -6.102 1.00 0.00 C ATOM 400 CE1 TYR A 29 -7.549 -6.686 -6.371 1.00 0.00 C ATOM 401 CE2 TYR A 29 -9.777 -6.660 -5.495 1.00 0.00 C ATOM 402 CZ TYR A 29 -8.553 -7.280 -5.633 1.00 0.00 C ATOM 403 OH TYR A 29 -8.329 -8.497 -5.030 1.00 0.00 O ATOM 0 H TYR A 29 -7.584 -3.979 -9.292 1.00 0.00 H new ATOM 0 HA TYR A 29 -10.429 -4.315 -9.104 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.352 -2.870 -7.417 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -10.047 -2.965 -6.982 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.991 -5.001 -7.549 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -10.957 -4.957 -5.993 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.591 -7.173 -6.477 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.560 -7.127 -4.915 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.377 -8.721 -5.088 1.00 0.00 H new ATOM 413 N GLY A 30 -9.174 -1.317 -9.708 1.00 0.00 N ATOM 414 CA GLY A 30 -9.527 0.003 -10.196 1.00 0.00 C ATOM 415 C GLY A 30 -8.364 0.701 -10.875 1.00 0.00 C ATOM 416 O GLY A 30 -7.782 0.171 -11.822 1.00 0.00 O ATOM 0 H GLY A 30 -8.178 -1.461 -9.543 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.356 -0.083 -10.899 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.877 0.613 -9.363 1.00 0.00 H new ATOM 420 N ASP A 31 -8.027 1.891 -10.392 1.00 0.00 N ATOM 421 CA ASP A 31 -6.927 2.662 -10.960 1.00 0.00 C ATOM 422 C ASP A 31 -5.925 3.055 -9.878 1.00 0.00 C ATOM 423 O ASP A 31 -5.959 4.171 -9.362 1.00 0.00 O ATOM 424 CB ASP A 31 -7.461 3.915 -11.657 1.00 0.00 C ATOM 425 CG ASP A 31 -6.887 4.091 -13.049 1.00 0.00 C ATOM 426 OD1 ASP A 31 -7.142 3.223 -13.909 1.00 0.00 O ATOM 427 OD2 ASP A 31 -6.182 5.097 -13.278 1.00 0.00 O ATOM 0 H ASP A 31 -8.499 2.343 -9.609 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.417 2.037 -11.693 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.548 3.857 -11.720 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.222 4.792 -11.055 1.00 0.00 H new ATOM 432 N VAL A 32 -5.034 2.128 -9.541 1.00 0.00 N ATOM 433 CA VAL A 32 -4.021 2.376 -8.521 1.00 0.00 C ATOM 434 C VAL A 32 -2.987 3.385 -9.009 1.00 0.00 C ATOM 435 O VAL A 32 -2.105 3.052 -9.799 1.00 0.00 O ATOM 436 CB VAL A 32 -3.302 1.076 -8.116 1.00 0.00 C ATOM 437 CG1 VAL A 32 -2.753 0.364 -9.342 1.00 0.00 C ATOM 438 CG2 VAL A 32 -2.193 1.371 -7.118 1.00 0.00 C ATOM 0 H VAL A 32 -4.993 1.199 -9.959 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.539 2.781 -7.652 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.025 0.415 -7.637 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.249 -0.552 -9.035 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.572 0.118 -10.017 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.044 1.015 -9.854 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.695 0.441 -6.842 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.469 2.051 -7.568 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.619 1.833 -6.227 1.00 0.00 H new ATOM 448 N MET A 33 -3.101 4.620 -8.530 1.00 0.00 N ATOM 449 CA MET A 33 -2.174 5.677 -8.916 1.00 0.00 C ATOM 450 C MET A 33 -0.729 5.198 -8.813 1.00 0.00 C ATOM 451 O MET A 33 -0.007 5.161 -9.809 1.00 0.00 O ATOM 452 CB MET A 33 -2.379 6.911 -8.034 1.00 0.00 C ATOM 453 CG MET A 33 -3.660 7.669 -8.338 1.00 0.00 C ATOM 454 SD MET A 33 -3.407 9.452 -8.426 1.00 0.00 S ATOM 455 CE MET A 33 -2.875 9.635 -10.127 1.00 0.00 C ATOM 0 H MET A 33 -3.826 4.913 -7.875 1.00 0.00 H new ATOM 0 HA MET A 33 -2.376 5.943 -9.954 1.00 0.00 H new ATOM 0 HB2 MET A 33 -2.388 6.603 -6.989 1.00 0.00 H new ATOM 0 HB3 MET A 33 -1.530 7.583 -8.161 1.00 0.00 H new ATOM 0 HG2 MET A 33 -4.070 7.317 -9.285 1.00 0.00 H new ATOM 0 HG3 MET A 33 -4.400 7.448 -7.568 1.00 0.00 H new ATOM 0 HE1 MET A 33 -2.679 10.687 -10.336 1.00 0.00 H new ATOM 0 HE2 MET A 33 -1.965 9.057 -10.288 1.00 0.00 H new ATOM 0 HE3 MET A 33 -3.657 9.273 -10.794 1.00 0.00 H new ATOM 465 N ASP A 34 -0.317 4.833 -7.605 1.00 0.00 N ATOM 466 CA ASP A 34 1.041 4.355 -7.373 1.00 0.00 C ATOM 467 C ASP A 34 1.117 3.533 -6.090 1.00 0.00 C ATOM 468 O ASP A 34 0.136 3.417 -5.356 1.00 0.00 O ATOM 469 CB ASP A 34 2.013 5.534 -7.295 1.00 0.00 C ATOM 470 CG ASP A 34 3.274 5.299 -8.105 1.00 0.00 C ATOM 471 OD1 ASP A 34 3.692 4.129 -8.226 1.00 0.00 O ATOM 472 OD2 ASP A 34 3.842 6.286 -8.617 1.00 0.00 O ATOM 0 H ASP A 34 -0.903 4.859 -6.771 1.00 0.00 H new ATOM 0 HA ASP A 34 1.322 3.716 -8.210 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.516 6.435 -7.655 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.281 5.712 -6.254 1.00 0.00 H new ATOM 477 N VAL A 35 2.288 2.962 -5.828 1.00 0.00 N ATOM 478 CA VAL A 35 2.492 2.150 -4.634 1.00 0.00 C ATOM 479 C VAL A 35 3.844 2.442 -3.995 1.00 0.00 C ATOM 480 O VAL A 35 4.893 2.172 -4.582 1.00 0.00 O ATOM 481 CB VAL A 35 2.402 0.646 -4.955 1.00 0.00 C ATOM 482 CG1 VAL A 35 2.573 -0.182 -3.692 1.00 0.00 C ATOM 483 CG2 VAL A 35 1.081 0.326 -5.638 1.00 0.00 C ATOM 0 H VAL A 35 3.110 3.047 -6.426 1.00 0.00 H new ATOM 0 HA VAL A 35 1.699 2.412 -3.934 1.00 0.00 H new ATOM 0 HB VAL A 35 3.211 0.390 -5.639 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.506 -1.241 -3.940 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.547 0.027 -3.249 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.788 0.074 -2.980 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.034 -0.741 -5.858 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.256 0.598 -4.980 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.005 0.891 -6.567 1.00 0.00 H new ATOM 493 N PHE A 36 3.816 2.995 -2.787 1.00 0.00 N ATOM 494 CA PHE A 36 5.040 3.325 -2.067 1.00 0.00 C ATOM 495 C PHE A 36 5.157 2.502 -0.788 1.00 0.00 C ATOM 496 O PHE A 36 4.152 2.152 -0.168 1.00 0.00 O ATOM 497 CB PHE A 36 5.073 4.818 -1.731 1.00 0.00 C ATOM 498 CG PHE A 36 6.098 5.176 -0.693 1.00 0.00 C ATOM 499 CD1 PHE A 36 7.450 5.009 -0.948 1.00 0.00 C ATOM 500 CD2 PHE A 36 5.710 5.677 0.538 1.00 0.00 C ATOM 501 CE1 PHE A 36 8.395 5.339 0.005 1.00 0.00 C ATOM 502 CE2 PHE A 36 6.651 6.009 1.495 1.00 0.00 C ATOM 503 CZ PHE A 36 7.995 5.838 1.228 1.00 0.00 C ATOM 0 H PHE A 36 2.958 3.224 -2.286 1.00 0.00 H new ATOM 0 HA PHE A 36 5.886 3.086 -2.711 1.00 0.00 H new ATOM 0 HB2 PHE A 36 5.276 5.383 -2.641 1.00 0.00 H new ATOM 0 HB3 PHE A 36 4.088 5.125 -1.379 1.00 0.00 H new ATOM 0 HD1 PHE A 36 7.769 4.617 -1.902 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.660 5.810 0.753 1.00 0.00 H new ATOM 0 HE1 PHE A 36 9.446 5.206 -0.207 1.00 0.00 H new ATOM 0 HE2 PHE A 36 6.335 6.402 2.450 1.00 0.00 H new ATOM 0 HZ PHE A 36 8.732 6.094 1.975 1.00 0.00 H new ATOM 513 N ILE A 37 6.391 2.196 -0.399 1.00 0.00 N ATOM 514 CA ILE A 37 6.640 1.415 0.807 1.00 0.00 C ATOM 515 C ILE A 37 7.405 2.230 1.843 1.00 0.00 C ATOM 516 O ILE A 37 8.632 2.332 1.806 1.00 0.00 O ATOM 517 CB ILE A 37 7.431 0.132 0.492 1.00 0.00 C ATOM 518 CG1 ILE A 37 6.640 -0.760 -0.467 1.00 0.00 C ATOM 519 CG2 ILE A 37 7.755 -0.618 1.776 1.00 0.00 C ATOM 520 CD1 ILE A 37 7.490 -1.796 -1.169 1.00 0.00 C ATOM 0 H ILE A 37 7.233 2.477 -0.901 1.00 0.00 H new ATOM 0 HA ILE A 37 5.666 1.142 1.213 1.00 0.00 H new ATOM 0 HB ILE A 37 8.368 0.410 0.009 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.850 -1.266 0.088 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.153 -0.134 -1.215 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.314 -1.523 1.538 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.354 0.018 2.428 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.829 -0.887 2.284 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.863 -2.392 -1.833 1.00 0.00 H new ATOM 0 HD12 ILE A 37 8.264 -1.297 -1.752 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.956 -2.447 -0.429 1.00 0.00 H new ATOM 532 N PRO A 38 6.667 2.826 2.791 1.00 0.00 N ATOM 533 CA PRO A 38 7.257 3.642 3.857 1.00 0.00 C ATOM 534 C PRO A 38 8.046 2.805 4.858 1.00 0.00 C ATOM 535 O PRO A 38 7.723 1.643 5.102 1.00 0.00 O ATOM 536 CB PRO A 38 6.038 4.277 4.532 1.00 0.00 C ATOM 537 CG PRO A 38 4.916 3.337 4.249 1.00 0.00 C ATOM 538 CD PRO A 38 5.201 2.749 2.895 1.00 0.00 C ATOM 0 HA PRO A 38 7.972 4.367 3.468 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.195 4.394 5.604 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.834 5.269 4.129 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.859 2.558 5.009 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.959 3.859 4.255 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.846 1.721 2.821 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.712 3.313 2.101 1.00 0.00 H new ATOM 546 N LYS A 39 9.081 3.405 5.436 1.00 0.00 N ATOM 547 CA LYS A 39 9.916 2.715 6.413 1.00 0.00 C ATOM 548 C LYS A 39 9.738 3.319 7.803 1.00 0.00 C ATOM 549 O LYS A 39 9.398 4.492 7.957 1.00 0.00 O ATOM 550 CB LYS A 39 11.387 2.789 5.998 1.00 0.00 C ATOM 551 CG LYS A 39 11.701 2.016 4.729 1.00 0.00 C ATOM 552 CD LYS A 39 12.436 0.721 5.032 1.00 0.00 C ATOM 553 CE LYS A 39 11.812 -0.458 4.301 1.00 0.00 C ATOM 554 NZ LYS A 39 12.389 -0.636 2.940 1.00 0.00 N ATOM 0 H LYS A 39 9.362 4.367 5.245 1.00 0.00 H new ATOM 0 HA LYS A 39 9.606 1.671 6.447 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.663 3.834 5.855 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.005 2.405 6.810 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.775 1.794 4.199 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.308 2.633 4.067 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.482 0.818 4.741 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.420 0.535 6.106 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.965 -1.368 4.882 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.735 -0.308 4.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.937 -1.449 2.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.221 0.222 2.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.412 -0.805 3.016 1.00 0.00 H new ATOM 568 N PRO A 40 9.974 2.501 8.839 1.00 0.00 N ATOM 569 CA PRO A 40 10.379 1.102 8.667 1.00 0.00 C ATOM 570 C PRO A 40 9.252 0.237 8.113 1.00 0.00 C ATOM 571 O PRO A 40 8.130 0.263 8.619 1.00 0.00 O ATOM 572 CB PRO A 40 10.743 0.662 10.086 1.00 0.00 C ATOM 573 CG PRO A 40 9.955 1.561 10.977 1.00 0.00 C ATOM 574 CD PRO A 40 9.863 2.878 10.258 1.00 0.00 C ATOM 0 HA PRO A 40 11.195 0.998 7.952 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.487 -0.384 10.254 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.813 0.762 10.269 1.00 0.00 H new ATOM 0 HG2 PRO A 40 8.964 1.150 11.168 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.443 1.678 11.944 1.00 0.00 H new ATOM 0 HD2 PRO A 40 8.921 3.385 10.467 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.662 3.556 10.557 1.00 0.00 H new ATOM 582 N PHE A 41 9.559 -0.530 7.073 1.00 0.00 N ATOM 583 CA PHE A 41 8.571 -1.404 6.450 1.00 0.00 C ATOM 584 C PHE A 41 8.312 -2.635 7.314 1.00 0.00 C ATOM 585 O PHE A 41 9.210 -3.446 7.541 1.00 0.00 O ATOM 586 CB PHE A 41 9.043 -1.833 5.059 1.00 0.00 C ATOM 587 CG PHE A 41 8.376 -3.082 4.558 1.00 0.00 C ATOM 588 CD1 PHE A 41 6.995 -3.155 4.462 1.00 0.00 C ATOM 589 CD2 PHE A 41 9.129 -4.183 4.184 1.00 0.00 C ATOM 590 CE1 PHE A 41 6.379 -4.304 4.002 1.00 0.00 C ATOM 591 CE2 PHE A 41 8.518 -5.334 3.723 1.00 0.00 C ATOM 592 CZ PHE A 41 7.141 -5.394 3.633 1.00 0.00 C ATOM 0 H PHE A 41 10.483 -0.565 6.643 1.00 0.00 H new ATOM 0 HA PHE A 41 7.639 -0.847 6.354 1.00 0.00 H new ATOM 0 HB2 PHE A 41 8.855 -1.023 4.354 1.00 0.00 H new ATOM 0 HB3 PHE A 41 10.121 -1.991 5.083 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.394 -2.305 4.750 1.00 0.00 H new ATOM 0 HD2 PHE A 41 10.206 -4.142 4.253 1.00 0.00 H new ATOM 0 HE1 PHE A 41 5.302 -4.349 3.931 1.00 0.00 H new ATOM 0 HE2 PHE A 41 9.116 -6.185 3.434 1.00 0.00 H new ATOM 0 HZ PHE A 41 6.661 -6.293 3.274 1.00 0.00 H new ATOM 602 N ARG A 42 7.079 -2.766 7.792 1.00 0.00 N ATOM 603 CA ARG A 42 6.702 -3.896 8.633 1.00 0.00 C ATOM 604 C ARG A 42 5.479 -4.611 8.065 1.00 0.00 C ATOM 605 O ARG A 42 4.352 -4.366 8.492 1.00 0.00 O ATOM 606 CB ARG A 42 6.414 -3.425 10.059 1.00 0.00 C ATOM 607 CG ARG A 42 7.416 -3.932 11.082 1.00 0.00 C ATOM 608 CD ARG A 42 6.859 -3.853 12.496 1.00 0.00 C ATOM 609 NE ARG A 42 7.758 -3.142 13.400 1.00 0.00 N ATOM 610 CZ ARG A 42 7.385 -2.663 14.582 1.00 0.00 C ATOM 611 NH1 ARG A 42 6.136 -2.819 14.999 1.00 0.00 N ATOM 612 NH2 ARG A 42 8.261 -2.027 15.347 1.00 0.00 N ATOM 0 H ARG A 42 6.324 -2.104 7.611 1.00 0.00 H new ATOM 0 HA ARG A 42 7.536 -4.597 8.652 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.408 -2.335 10.078 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.416 -3.755 10.347 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.682 -4.964 10.852 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.332 -3.345 11.017 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.892 -3.350 12.477 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.687 -4.861 12.874 1.00 0.00 H new ATOM 0 HE ARG A 42 8.726 -3.005 13.108 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.460 -3.307 14.412 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.852 -2.451 15.907 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.222 -1.905 15.028 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.974 -1.660 16.254 1.00 0.00 H new ATOM 626 N ALA A 43 5.713 -5.496 7.101 1.00 0.00 N ATOM 627 CA ALA A 43 4.631 -6.247 6.476 1.00 0.00 C ATOM 628 C ALA A 43 3.436 -5.347 6.180 1.00 0.00 C ATOM 629 O ALA A 43 2.289 -5.793 6.208 1.00 0.00 O ATOM 630 CB ALA A 43 4.213 -7.408 7.367 1.00 0.00 C ATOM 0 H ALA A 43 6.641 -5.710 6.736 1.00 0.00 H new ATOM 0 HA ALA A 43 4.996 -6.643 5.528 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.404 -7.961 6.889 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.064 -8.072 7.523 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.871 -7.024 8.328 1.00 0.00 H new ATOM 636 N PHE A 44 3.714 -4.079 5.897 1.00 0.00 N ATOM 637 CA PHE A 44 2.661 -3.115 5.597 1.00 0.00 C ATOM 638 C PHE A 44 3.166 -2.036 4.644 1.00 0.00 C ATOM 639 O PHE A 44 4.287 -1.547 4.782 1.00 0.00 O ATOM 640 CB PHE A 44 2.146 -2.472 6.887 1.00 0.00 C ATOM 641 CG PHE A 44 2.963 -1.293 7.336 1.00 0.00 C ATOM 642 CD1 PHE A 44 2.952 -0.112 6.614 1.00 0.00 C ATOM 643 CD2 PHE A 44 3.740 -1.369 8.481 1.00 0.00 C ATOM 644 CE1 PHE A 44 3.701 0.975 7.025 1.00 0.00 C ATOM 645 CE2 PHE A 44 4.492 -0.285 8.896 1.00 0.00 C ATOM 646 CZ PHE A 44 4.473 0.887 8.167 1.00 0.00 C ATOM 0 H PHE A 44 4.658 -3.695 5.869 1.00 0.00 H new ATOM 0 HA PHE A 44 1.843 -3.648 5.113 1.00 0.00 H new ATOM 0 HB2 PHE A 44 1.114 -2.154 6.738 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.138 -3.221 7.679 1.00 0.00 H new ATOM 0 HD1 PHE A 44 2.351 -0.039 5.719 1.00 0.00 H new ATOM 0 HD2 PHE A 44 3.758 -2.284 9.055 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.682 1.892 6.454 1.00 0.00 H new ATOM 0 HE2 PHE A 44 5.094 -0.355 9.790 1.00 0.00 H new ATOM 0 HZ PHE A 44 5.061 1.734 8.489 1.00 0.00 H new ATOM 656 N ALA A 45 2.331 -1.670 3.678 1.00 0.00 N ATOM 657 CA ALA A 45 2.691 -0.648 2.702 1.00 0.00 C ATOM 658 C ALA A 45 1.539 0.324 2.474 1.00 0.00 C ATOM 659 O ALA A 45 0.390 0.030 2.806 1.00 0.00 O ATOM 660 CB ALA A 45 3.107 -1.295 1.390 1.00 0.00 C ATOM 0 H ALA A 45 1.400 -2.066 3.550 1.00 0.00 H new ATOM 0 HA ALA A 45 3.534 -0.083 3.099 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.373 -0.520 0.671 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.967 -1.943 1.560 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.280 -1.886 0.997 1.00 0.00 H new ATOM 666 N PHE A 46 1.853 1.484 1.906 1.00 0.00 N ATOM 667 CA PHE A 46 0.844 2.500 1.635 1.00 0.00 C ATOM 668 C PHE A 46 0.554 2.593 0.140 1.00 0.00 C ATOM 669 O PHE A 46 1.400 3.027 -0.642 1.00 0.00 O ATOM 670 CB PHE A 46 1.305 3.860 2.162 1.00 0.00 C ATOM 671 CG PHE A 46 0.293 4.953 1.968 1.00 0.00 C ATOM 672 CD1 PHE A 46 -0.860 4.993 2.736 1.00 0.00 C ATOM 673 CD2 PHE A 46 0.493 5.940 1.017 1.00 0.00 C ATOM 674 CE1 PHE A 46 -1.793 5.997 2.559 1.00 0.00 C ATOM 675 CE2 PHE A 46 -0.437 6.947 0.835 1.00 0.00 C ATOM 676 CZ PHE A 46 -1.580 6.975 1.608 1.00 0.00 C ATOM 0 H PHE A 46 2.799 1.743 1.625 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.073 2.211 2.148 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.532 3.771 3.224 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.231 4.140 1.660 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.031 4.231 3.482 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.386 5.923 0.410 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.688 6.017 3.164 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.269 7.710 0.089 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.307 7.761 1.469 1.00 0.00 H new ATOM 686 N VAL A 47 -0.649 2.183 -0.251 1.00 0.00 N ATOM 687 CA VAL A 47 -1.052 2.220 -1.652 1.00 0.00 C ATOM 688 C VAL A 47 -2.022 3.366 -1.914 1.00 0.00 C ATOM 689 O VAL A 47 -2.951 3.597 -1.139 1.00 0.00 O ATOM 690 CB VAL A 47 -1.709 0.895 -2.082 1.00 0.00 C ATOM 691 CG1 VAL A 47 -2.059 0.928 -3.562 1.00 0.00 C ATOM 692 CG2 VAL A 47 -0.794 -0.279 -1.769 1.00 0.00 C ATOM 0 H VAL A 47 -1.361 1.821 0.383 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.146 2.374 -2.239 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.633 0.768 -1.517 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.522 -0.017 -3.848 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.754 1.745 -3.753 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.152 1.079 -4.147 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.274 -1.207 -2.079 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.147 -0.160 -2.306 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.599 -0.312 -0.697 1.00 0.00 H new ATOM 702 N THR A 48 -1.804 4.080 -3.013 1.00 0.00 N ATOM 703 CA THR A 48 -2.659 5.202 -3.378 1.00 0.00 C ATOM 704 C THR A 48 -3.588 4.834 -4.529 1.00 0.00 C ATOM 705 O THR A 48 -3.218 4.066 -5.417 1.00 0.00 O ATOM 706 CB THR A 48 -1.827 6.435 -3.779 1.00 0.00 C ATOM 707 OG1 THR A 48 -0.900 6.760 -2.738 1.00 0.00 O ATOM 708 CG2 THR A 48 -2.728 7.630 -4.055 1.00 0.00 C ATOM 0 H THR A 48 -1.042 3.901 -3.667 1.00 0.00 H new ATOM 0 HA THR A 48 -3.254 5.445 -2.498 1.00 0.00 H new ATOM 0 HB THR A 48 -1.279 6.195 -4.690 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.374 7.544 -3.001 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.118 8.488 -4.336 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.413 7.389 -4.868 1.00 0.00 H new ATOM 0 HG23 THR A 48 -3.300 7.869 -3.158 1.00 0.00 H new ATOM 716 N PHE A 49 -4.796 5.387 -4.509 1.00 0.00 N ATOM 717 CA PHE A 49 -5.779 5.116 -5.550 1.00 0.00 C ATOM 718 C PHE A 49 -6.278 6.414 -6.178 1.00 0.00 C ATOM 719 O PHE A 49 -6.564 7.385 -5.478 1.00 0.00 O ATOM 720 CB PHE A 49 -6.958 4.327 -4.977 1.00 0.00 C ATOM 721 CG PHE A 49 -6.744 2.840 -4.982 1.00 0.00 C ATOM 722 CD1 PHE A 49 -6.759 2.129 -6.170 1.00 0.00 C ATOM 723 CD2 PHE A 49 -6.526 2.155 -3.798 1.00 0.00 C ATOM 724 CE1 PHE A 49 -6.564 0.761 -6.178 1.00 0.00 C ATOM 725 CE2 PHE A 49 -6.329 0.787 -3.799 1.00 0.00 C ATOM 726 CZ PHE A 49 -6.347 0.089 -4.990 1.00 0.00 C ATOM 0 H PHE A 49 -5.118 6.026 -3.782 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.295 4.520 -6.324 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.142 4.656 -3.954 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -7.854 4.559 -5.553 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.925 2.650 -7.101 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.510 2.696 -2.863 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.581 0.218 -7.111 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.161 0.264 -2.869 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.192 -0.980 -4.993 1.00 0.00 H new ATOM 736 N ALA A 50 -6.380 6.423 -7.504 1.00 0.00 N ATOM 737 CA ALA A 50 -6.846 7.600 -8.226 1.00 0.00 C ATOM 738 C ALA A 50 -8.303 7.904 -7.898 1.00 0.00 C ATOM 739 O ALA A 50 -8.851 8.913 -8.341 1.00 0.00 O ATOM 740 CB ALA A 50 -6.669 7.403 -9.725 1.00 0.00 C ATOM 0 H ALA A 50 -6.146 5.628 -8.099 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.245 8.452 -7.909 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.021 8.290 -10.253 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.614 7.242 -9.949 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.245 6.536 -10.048 1.00 0.00 H new ATOM 746 N ASP A 51 -8.925 7.025 -7.120 1.00 0.00 N ATOM 747 CA ASP A 51 -10.320 7.201 -6.733 1.00 0.00 C ATOM 748 C ASP A 51 -10.544 6.751 -5.292 1.00 0.00 C ATOM 749 O ASP A 51 -10.421 5.568 -4.975 1.00 0.00 O ATOM 750 CB ASP A 51 -11.235 6.417 -7.674 1.00 0.00 C ATOM 751 CG ASP A 51 -11.980 7.316 -8.640 1.00 0.00 C ATOM 752 OD1 ASP A 51 -11.335 8.194 -9.251 1.00 0.00 O ATOM 753 OD2 ASP A 51 -13.210 7.144 -8.785 1.00 0.00 O ATOM 0 H ASP A 51 -8.486 6.184 -6.745 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.561 8.261 -6.805 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.641 5.697 -8.237 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.954 5.847 -7.085 1.00 0.00 H new ATOM 758 N ASP A 52 -10.875 7.701 -4.425 1.00 0.00 N ATOM 759 CA ASP A 52 -11.117 7.403 -3.019 1.00 0.00 C ATOM 760 C ASP A 52 -12.156 6.297 -2.869 1.00 0.00 C ATOM 761 O ASP A 52 -12.081 5.483 -1.948 1.00 0.00 O ATOM 762 CB ASP A 52 -11.581 8.660 -2.281 1.00 0.00 C ATOM 763 CG ASP A 52 -10.948 9.922 -2.832 1.00 0.00 C ATOM 764 OD1 ASP A 52 -9.712 10.067 -2.716 1.00 0.00 O ATOM 765 OD2 ASP A 52 -11.687 10.765 -3.382 1.00 0.00 O ATOM 0 H ASP A 52 -10.982 8.685 -4.672 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.181 7.059 -2.580 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -12.666 8.740 -2.353 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.337 8.567 -1.223 1.00 0.00 H new ATOM 770 N GLN A 53 -13.125 6.275 -3.778 1.00 0.00 N ATOM 771 CA GLN A 53 -14.181 5.270 -3.746 1.00 0.00 C ATOM 772 C GLN A 53 -13.594 3.863 -3.793 1.00 0.00 C ATOM 773 O GLN A 53 -14.184 2.917 -3.271 1.00 0.00 O ATOM 774 CB GLN A 53 -15.145 5.473 -4.916 1.00 0.00 C ATOM 775 CG GLN A 53 -15.973 6.744 -4.808 1.00 0.00 C ATOM 776 CD GLN A 53 -17.367 6.489 -4.270 1.00 0.00 C ATOM 777 OE1 GLN A 53 -17.889 5.378 -4.368 1.00 0.00 O ATOM 778 NE2 GLN A 53 -17.978 7.519 -3.695 1.00 0.00 N ATOM 0 H GLN A 53 -13.201 6.942 -4.546 1.00 0.00 H new ATOM 0 HA GLN A 53 -14.729 5.385 -2.811 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -14.576 5.498 -5.845 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -15.816 4.616 -4.976 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -15.461 7.453 -4.157 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -16.047 7.210 -5.791 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -17.508 8.422 -3.635 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -18.917 7.406 -3.313 1.00 0.00 H new ATOM 787 N ILE A 54 -12.432 3.733 -4.424 1.00 0.00 N ATOM 788 CA ILE A 54 -11.767 2.441 -4.539 1.00 0.00 C ATOM 789 C ILE A 54 -11.120 2.036 -3.219 1.00 0.00 C ATOM 790 O ILE A 54 -11.263 0.900 -2.769 1.00 0.00 O ATOM 791 CB ILE A 54 -10.689 2.459 -5.641 1.00 0.00 C ATOM 792 CG1 ILE A 54 -11.296 2.913 -6.970 1.00 0.00 C ATOM 793 CG2 ILE A 54 -10.054 1.084 -5.783 1.00 0.00 C ATOM 794 CD1 ILE A 54 -12.241 1.900 -7.580 1.00 0.00 C ATOM 0 H ILE A 54 -11.932 4.506 -4.863 1.00 0.00 H new ATOM 0 HA ILE A 54 -12.535 1.714 -4.803 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.911 3.168 -5.358 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -11.831 3.850 -6.815 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -10.492 3.119 -7.676 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.295 1.113 -6.565 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.591 0.798 -4.839 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -10.820 0.355 -6.048 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -12.634 2.288 -8.520 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.705 0.969 -7.767 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -13.066 1.712 -6.893 1.00 0.00 H new ATOM 806 N ALA A 55 -10.410 2.975 -2.601 1.00 0.00 N ATOM 807 CA ALA A 55 -9.745 2.718 -1.330 1.00 0.00 C ATOM 808 C ALA A 55 -10.760 2.446 -0.225 1.00 0.00 C ATOM 809 O ALA A 55 -10.498 1.670 0.694 1.00 0.00 O ATOM 810 CB ALA A 55 -8.853 3.891 -0.954 1.00 0.00 C ATOM 0 H ALA A 55 -10.281 3.921 -2.961 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.126 1.828 -1.445 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.363 3.685 -0.003 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.098 4.037 -1.727 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.458 4.793 -0.863 1.00 0.00 H new ATOM 816 N GLN A 56 -11.918 3.092 -0.320 1.00 0.00 N ATOM 817 CA GLN A 56 -12.971 2.921 0.675 1.00 0.00 C ATOM 818 C GLN A 56 -13.716 1.608 0.458 1.00 0.00 C ATOM 819 O GLN A 56 -14.161 0.970 1.412 1.00 0.00 O ATOM 820 CB GLN A 56 -13.952 4.093 0.616 1.00 0.00 C ATOM 821 CG GLN A 56 -14.036 4.882 1.913 1.00 0.00 C ATOM 822 CD GLN A 56 -15.254 4.520 2.738 1.00 0.00 C ATOM 823 OE1 GLN A 56 -16.366 4.431 2.218 1.00 0.00 O ATOM 824 NE2 GLN A 56 -15.052 4.309 4.034 1.00 0.00 N ATOM 0 H GLN A 56 -12.151 3.738 -1.075 1.00 0.00 H new ATOM 0 HA GLN A 56 -12.505 2.895 1.660 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -13.655 4.765 -0.189 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -14.943 3.714 0.366 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -13.137 4.702 2.502 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -14.060 5.948 1.685 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -14.113 4.393 4.424 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -15.836 4.063 4.639 1.00 0.00 H new ATOM 833 N SER A 57 -13.849 1.210 -0.804 1.00 0.00 N ATOM 834 CA SER A 57 -14.544 -0.025 -1.147 1.00 0.00 C ATOM 835 C SER A 57 -13.706 -1.243 -0.767 1.00 0.00 C ATOM 836 O SER A 57 -14.238 -2.333 -0.551 1.00 0.00 O ATOM 837 CB SER A 57 -14.863 -0.057 -2.643 1.00 0.00 C ATOM 838 OG SER A 57 -15.938 0.812 -2.954 1.00 0.00 O ATOM 0 H SER A 57 -13.484 1.725 -1.605 1.00 0.00 H new ATOM 0 HA SER A 57 -15.477 -0.057 -0.584 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.980 0.233 -3.213 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.115 -1.074 -2.943 1.00 0.00 H new ATOM 0 HG SER A 57 -15.591 1.712 -3.128 1.00 0.00 H new ATOM 844 N LEU A 58 -12.395 -1.050 -0.690 1.00 0.00 N ATOM 845 CA LEU A 58 -11.482 -2.131 -0.336 1.00 0.00 C ATOM 846 C LEU A 58 -11.343 -2.256 1.177 1.00 0.00 C ATOM 847 O LEU A 58 -11.097 -3.343 1.701 1.00 0.00 O ATOM 848 CB LEU A 58 -10.108 -1.893 -0.967 1.00 0.00 C ATOM 849 CG LEU A 58 -9.860 -2.574 -2.313 1.00 0.00 C ATOM 850 CD1 LEU A 58 -8.495 -2.189 -2.862 1.00 0.00 C ATOM 851 CD2 LEU A 58 -9.975 -4.085 -2.176 1.00 0.00 C ATOM 0 H LEU A 58 -11.940 -0.155 -0.868 1.00 0.00 H new ATOM 0 HA LEU A 58 -11.897 -3.062 -0.722 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -9.970 -0.819 -1.095 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.345 -2.231 -0.266 1.00 0.00 H new ATOM 0 HG LEU A 58 -10.621 -2.234 -3.016 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.336 -2.683 -3.820 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.449 -1.109 -2.999 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.720 -2.499 -2.161 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -9.795 -4.553 -3.144 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -9.237 -4.442 -1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -10.975 -4.344 -1.828 1.00 0.00 H new ATOM 863 N CYS A 59 -11.507 -1.137 1.874 1.00 0.00 N ATOM 864 CA CYS A 59 -11.403 -1.121 3.329 1.00 0.00 C ATOM 865 C CYS A 59 -12.383 -2.108 3.956 1.00 0.00 C ATOM 866 O CYS A 59 -13.597 -1.931 3.871 1.00 0.00 O ATOM 867 CB CYS A 59 -11.667 0.287 3.865 1.00 0.00 C ATOM 868 SG CYS A 59 -10.225 1.378 3.815 1.00 0.00 S ATOM 0 H CYS A 59 -11.712 -0.230 1.456 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.390 -1.421 3.599 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -12.472 0.740 3.286 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -12.018 0.213 4.894 1.00 0.00 H new ATOM 0 HG CYS A 59 -9.998 1.741 2.588 1.00 0.00 H new ATOM 874 N GLY A 60 -11.845 -3.149 4.584 1.00 0.00 N ATOM 875 CA GLY A 60 -12.686 -4.150 5.214 1.00 0.00 C ATOM 876 C GLY A 60 -12.857 -5.388 4.356 1.00 0.00 C ATOM 877 O GLY A 60 -13.713 -6.228 4.631 1.00 0.00 O ATOM 0 H GLY A 60 -10.842 -3.317 4.668 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.252 -4.433 6.173 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.665 -3.718 5.423 1.00 0.00 H new ATOM 881 N GLU A 61 -12.041 -5.499 3.312 1.00 0.00 N ATOM 882 CA GLU A 61 -12.107 -6.643 2.409 1.00 0.00 C ATOM 883 C GLU A 61 -10.820 -7.459 2.469 1.00 0.00 C ATOM 884 O GLU A 61 -9.721 -6.905 2.459 1.00 0.00 O ATOM 885 CB GLU A 61 -12.363 -6.173 0.976 1.00 0.00 C ATOM 886 CG GLU A 61 -13.564 -5.253 0.841 1.00 0.00 C ATOM 887 CD GLU A 61 -14.390 -5.551 -0.396 1.00 0.00 C ATOM 888 OE1 GLU A 61 -15.201 -6.500 -0.355 1.00 0.00 O ATOM 889 OE2 GLU A 61 -14.227 -4.831 -1.404 1.00 0.00 O ATOM 0 H GLU A 61 -11.327 -4.812 3.071 1.00 0.00 H new ATOM 0 HA GLU A 61 -12.933 -7.279 2.728 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.477 -5.655 0.609 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.510 -7.044 0.338 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -14.193 -5.350 1.726 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.223 -4.218 0.805 1.00 0.00 H new ATOM 896 N ASP A 62 -10.964 -8.778 2.529 1.00 0.00 N ATOM 897 CA ASP A 62 -9.814 -9.671 2.589 1.00 0.00 C ATOM 898 C ASP A 62 -9.382 -10.096 1.189 1.00 0.00 C ATOM 899 O ASP A 62 -10.142 -10.734 0.460 1.00 0.00 O ATOM 900 CB ASP A 62 -10.142 -10.905 3.432 1.00 0.00 C ATOM 901 CG ASP A 62 -10.097 -10.619 4.920 1.00 0.00 C ATOM 902 OD1 ASP A 62 -11.080 -10.059 5.447 1.00 0.00 O ATOM 903 OD2 ASP A 62 -9.077 -10.956 5.557 1.00 0.00 O ATOM 0 H ASP A 62 -11.867 -9.252 2.537 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.990 -9.131 3.056 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.134 -11.270 3.165 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.435 -11.701 3.196 1.00 0.00 H new ATOM 908 N LEU A 63 -8.158 -9.736 0.818 1.00 0.00 N ATOM 909 CA LEU A 63 -7.625 -10.079 -0.496 1.00 0.00 C ATOM 910 C LEU A 63 -6.461 -11.056 -0.372 1.00 0.00 C ATOM 911 O LEU A 63 -5.641 -10.949 0.540 1.00 0.00 O ATOM 912 CB LEU A 63 -7.171 -8.816 -1.228 1.00 0.00 C ATOM 913 CG LEU A 63 -8.040 -7.575 -1.028 1.00 0.00 C ATOM 914 CD1 LEU A 63 -7.384 -6.356 -1.658 1.00 0.00 C ATOM 915 CD2 LEU A 63 -9.428 -7.796 -1.611 1.00 0.00 C ATOM 0 H LEU A 63 -7.516 -9.207 1.408 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.418 -10.559 -1.070 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.156 -8.580 -0.908 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.126 -9.035 -2.295 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.141 -7.395 0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.018 -5.482 -1.505 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.412 -6.185 -1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.251 -6.526 -2.726 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.033 -6.902 -1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.346 -8.002 -2.678 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.901 -8.643 -1.114 1.00 0.00 H new ATOM 927 N ILE A 64 -6.392 -12.008 -1.298 1.00 0.00 N ATOM 928 CA ILE A 64 -5.326 -13.001 -1.295 1.00 0.00 C ATOM 929 C ILE A 64 -4.309 -12.720 -2.396 1.00 0.00 C ATOM 930 O ILE A 64 -4.668 -12.580 -3.566 1.00 0.00 O ATOM 931 CB ILE A 64 -5.882 -14.425 -1.477 1.00 0.00 C ATOM 932 CG1 ILE A 64 -7.059 -14.661 -0.528 1.00 0.00 C ATOM 933 CG2 ILE A 64 -4.789 -15.456 -1.240 1.00 0.00 C ATOM 934 CD1 ILE A 64 -6.654 -14.755 0.926 1.00 0.00 C ATOM 0 H ILE A 64 -7.063 -12.112 -2.060 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.835 -12.933 -0.324 1.00 0.00 H new ATOM 0 HB ILE A 64 -6.238 -14.532 -2.502 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.778 -13.850 -0.645 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.568 -15.581 -0.815 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.199 -16.457 -1.373 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.979 -15.298 -1.952 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.405 -15.352 -0.225 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -7.539 -14.923 1.540 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.959 -15.584 1.057 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.172 -13.826 1.230 1.00 0.00 H new ATOM 946 N ILE A 65 -3.039 -12.640 -2.015 1.00 0.00 N ATOM 947 CA ILE A 65 -1.970 -12.379 -2.970 1.00 0.00 C ATOM 948 C ILE A 65 -0.864 -13.425 -2.859 1.00 0.00 C ATOM 949 O ILE A 65 -0.087 -13.423 -1.904 1.00 0.00 O ATOM 950 CB ILE A 65 -1.360 -10.981 -2.765 1.00 0.00 C ATOM 951 CG1 ILE A 65 -2.464 -9.949 -2.528 1.00 0.00 C ATOM 952 CG2 ILE A 65 -0.512 -10.590 -3.966 1.00 0.00 C ATOM 953 CD1 ILE A 65 -1.956 -8.638 -1.968 1.00 0.00 C ATOM 0 H ILE A 65 -2.725 -12.752 -1.051 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.416 -12.430 -3.963 1.00 0.00 H new ATOM 0 HB ILE A 65 -0.717 -11.008 -1.885 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.979 -9.757 -3.469 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.200 -10.367 -1.841 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.088 -9.599 -3.805 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.294 -11.313 -4.093 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.133 -10.578 -4.862 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.793 -7.955 -1.825 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.466 -8.817 -1.011 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.242 -8.197 -2.664 1.00 0.00 H new ATOM 965 N LYS A 66 -0.800 -14.316 -3.842 1.00 0.00 N ATOM 966 CA LYS A 66 0.211 -15.367 -3.858 1.00 0.00 C ATOM 967 C LYS A 66 -0.120 -16.456 -2.841 1.00 0.00 C ATOM 968 O LYS A 66 0.625 -17.422 -2.688 1.00 0.00 O ATOM 969 CB LYS A 66 1.591 -14.778 -3.558 1.00 0.00 C ATOM 970 CG LYS A 66 1.780 -13.369 -4.093 1.00 0.00 C ATOM 971 CD LYS A 66 3.230 -13.102 -4.462 1.00 0.00 C ATOM 972 CE LYS A 66 3.602 -13.768 -5.778 1.00 0.00 C ATOM 973 NZ LYS A 66 2.998 -13.067 -6.944 1.00 0.00 N ATOM 0 H LYS A 66 -1.437 -14.332 -4.639 1.00 0.00 H new ATOM 0 HA LYS A 66 0.220 -15.813 -4.852 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.748 -14.772 -2.479 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.355 -15.426 -3.988 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.148 -13.224 -4.969 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.456 -12.648 -3.343 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.395 -12.027 -4.537 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.882 -13.470 -3.670 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.687 -13.782 -5.884 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.270 -14.806 -5.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.431 -13.418 -7.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.974 -13.248 -6.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.167 -12.044 -6.860 1.00 0.00 H new ATOM 987 N GLY A 67 -1.243 -16.292 -2.149 1.00 0.00 N ATOM 988 CA GLY A 67 -1.654 -17.269 -1.158 1.00 0.00 C ATOM 989 C GLY A 67 -1.937 -16.641 0.192 1.00 0.00 C ATOM 990 O GLY A 67 -2.829 -17.086 0.915 1.00 0.00 O ATOM 0 H GLY A 67 -1.876 -15.499 -2.257 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.547 -17.785 -1.510 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.873 -18.022 -1.049 1.00 0.00 H new ATOM 994 N ILE A 68 -1.177 -15.606 0.533 1.00 0.00 N ATOM 995 CA ILE A 68 -1.352 -14.918 1.806 1.00 0.00 C ATOM 996 C ILE A 68 -2.561 -13.989 1.767 1.00 0.00 C ATOM 997 O ILE A 68 -2.965 -13.524 0.702 1.00 0.00 O ATOM 998 CB ILE A 68 -0.101 -14.099 2.179 1.00 0.00 C ATOM 999 CG1 ILE A 68 0.045 -12.897 1.244 1.00 0.00 C ATOM 1000 CG2 ILE A 68 1.141 -14.975 2.124 1.00 0.00 C ATOM 1001 CD1 ILE A 68 -0.225 -11.570 1.918 1.00 0.00 C ATOM 0 H ILE A 68 -0.435 -15.226 -0.054 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.512 -15.687 2.562 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.216 -13.730 3.198 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.054 -12.888 0.833 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.640 -13.015 0.404 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.016 -14.382 2.390 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.035 -15.801 2.827 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.263 -15.370 1.116 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.103 -10.763 1.195 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.244 -11.559 2.305 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.477 -11.430 2.740 1.00 0.00 H new ATOM 1013 N SER A 69 -3.133 -13.723 2.936 1.00 0.00 N ATOM 1014 CA SER A 69 -4.298 -12.851 3.037 1.00 0.00 C ATOM 1015 C SER A 69 -3.924 -11.516 3.675 1.00 0.00 C ATOM 1016 O SER A 69 -3.318 -11.474 4.745 1.00 0.00 O ATOM 1017 CB SER A 69 -5.400 -13.529 3.854 1.00 0.00 C ATOM 1018 OG SER A 69 -6.634 -12.846 3.712 1.00 0.00 O ATOM 0 H SER A 69 -2.809 -14.099 3.827 1.00 0.00 H new ATOM 0 HA SER A 69 -4.667 -12.661 2.029 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.514 -14.563 3.529 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.114 -13.555 4.905 1.00 0.00 H new ATOM 0 HG SER A 69 -7.322 -13.300 4.242 1.00 0.00 H new ATOM 1024 N VAL A 70 -4.291 -10.426 3.008 1.00 0.00 N ATOM 1025 CA VAL A 70 -3.996 -9.089 3.508 1.00 0.00 C ATOM 1026 C VAL A 70 -5.266 -8.380 3.963 1.00 0.00 C ATOM 1027 O VAL A 70 -6.363 -8.683 3.490 1.00 0.00 O ATOM 1028 CB VAL A 70 -3.297 -8.230 2.437 1.00 0.00 C ATOM 1029 CG1 VAL A 70 -2.017 -8.903 1.965 1.00 0.00 C ATOM 1030 CG2 VAL A 70 -4.235 -7.970 1.268 1.00 0.00 C ATOM 0 H VAL A 70 -4.793 -10.443 2.120 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.326 -9.210 4.359 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.032 -7.270 2.881 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.537 -8.282 1.209 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.341 -9.033 2.810 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.254 -9.877 1.537 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.725 -7.362 0.521 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.532 -8.919 0.822 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.121 -7.442 1.622 1.00 0.00 H new ATOM 1040 N HIS A 71 -5.112 -7.433 4.884 1.00 0.00 N ATOM 1041 CA HIS A 71 -6.248 -6.679 5.402 1.00 0.00 C ATOM 1042 C HIS A 71 -6.173 -5.218 4.968 1.00 0.00 C ATOM 1043 O HIS A 71 -5.246 -4.497 5.338 1.00 0.00 O ATOM 1044 CB HIS A 71 -6.292 -6.768 6.928 1.00 0.00 C ATOM 1045 CG HIS A 71 -7.289 -5.842 7.553 1.00 0.00 C ATOM 1046 ND1 HIS A 71 -8.504 -6.266 8.047 1.00 0.00 N ATOM 1047 CD2 HIS A 71 -7.245 -4.506 7.767 1.00 0.00 C ATOM 1048 CE1 HIS A 71 -9.166 -5.233 8.533 1.00 0.00 C ATOM 1049 NE2 HIS A 71 -8.423 -4.151 8.377 1.00 0.00 N ATOM 0 H HIS A 71 -4.212 -7.170 5.286 1.00 0.00 H new ATOM 0 HA HIS A 71 -7.160 -7.115 4.993 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -6.528 -7.792 7.217 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.302 -6.545 7.326 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -8.840 -7.229 8.038 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -6.434 -3.842 7.506 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -10.148 -5.266 8.982 1.00 0.00 H new ATOM 1057 N ILE A 72 -7.155 -4.790 4.181 1.00 0.00 N ATOM 1058 CA ILE A 72 -7.200 -3.416 3.698 1.00 0.00 C ATOM 1059 C ILE A 72 -7.885 -2.499 4.706 1.00 0.00 C ATOM 1060 O ILE A 72 -9.007 -2.764 5.137 1.00 0.00 O ATOM 1061 CB ILE A 72 -7.937 -3.317 2.349 1.00 0.00 C ATOM 1062 CG1 ILE A 72 -7.483 -4.439 1.411 1.00 0.00 C ATOM 1063 CG2 ILE A 72 -7.696 -1.957 1.711 1.00 0.00 C ATOM 1064 CD1 ILE A 72 -6.063 -4.272 0.914 1.00 0.00 C ATOM 0 H ILE A 72 -7.929 -5.375 3.865 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.167 -3.096 3.564 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.006 -3.428 2.528 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.568 -5.393 1.931 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.157 -4.481 0.555 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.224 -1.903 0.759 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.063 -1.174 2.374 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.628 -1.818 1.543 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.808 -5.102 0.255 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.977 -3.334 0.366 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.379 -4.260 1.763 1.00 0.00 H new ATOM 1076 N SER A 73 -7.203 -1.421 5.077 1.00 0.00 N ATOM 1077 CA SER A 73 -7.745 -0.466 6.036 1.00 0.00 C ATOM 1078 C SER A 73 -7.311 0.955 5.693 1.00 0.00 C ATOM 1079 O SER A 73 -6.523 1.170 4.772 1.00 0.00 O ATOM 1080 CB SER A 73 -7.290 -0.822 7.453 1.00 0.00 C ATOM 1081 OG SER A 73 -8.035 -0.104 8.422 1.00 0.00 O ATOM 0 H SER A 73 -6.274 -1.187 4.728 1.00 0.00 H new ATOM 0 HA SER A 73 -8.833 -0.516 5.987 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.408 -1.893 7.618 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.229 -0.598 7.565 1.00 0.00 H new ATOM 0 HG SER A 73 -7.727 -0.350 9.319 1.00 0.00 H new ATOM 1087 N ASN A 74 -7.831 1.923 6.440 1.00 0.00 N ATOM 1088 CA ASN A 74 -7.499 3.326 6.215 1.00 0.00 C ATOM 1089 C ASN A 74 -6.913 3.956 7.476 1.00 0.00 C ATOM 1090 O ASN A 74 -7.613 4.140 8.471 1.00 0.00 O ATOM 1091 CB ASN A 74 -8.741 4.101 5.773 1.00 0.00 C ATOM 1092 CG ASN A 74 -8.421 5.532 5.384 1.00 0.00 C ATOM 1093 OD1 ASN A 74 -7.917 5.791 4.291 1.00 0.00 O ATOM 1094 ND2 ASN A 74 -8.714 6.467 6.279 1.00 0.00 N ATOM 0 H ASN A 74 -8.484 1.762 7.207 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.749 3.374 5.425 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -9.202 3.592 4.927 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -9.472 4.102 6.581 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -8.522 7.448 6.074 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -9.131 6.205 7.172 1.00 0.00 H new ATOM 1101 N ALA A 75 -5.626 4.282 7.425 1.00 0.00 N ATOM 1102 CA ALA A 75 -4.948 4.893 8.561 1.00 0.00 C ATOM 1103 C ALA A 75 -4.085 6.070 8.117 1.00 0.00 C ATOM 1104 O ALA A 75 -3.636 6.123 6.973 1.00 0.00 O ATOM 1105 CB ALA A 75 -4.101 3.859 9.288 1.00 0.00 C ATOM 0 H ALA A 75 -5.032 4.133 6.609 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.707 5.271 9.246 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.600 4.329 10.134 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.740 3.052 9.647 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.355 3.454 8.604 1.00 0.00 H new ATOM 1111 N GLU A 76 -3.858 7.008 9.030 1.00 0.00 N ATOM 1112 CA GLU A 76 -3.051 8.185 8.731 1.00 0.00 C ATOM 1113 C GLU A 76 -2.157 8.547 9.914 1.00 0.00 C ATOM 1114 O GLU A 76 -2.548 9.288 10.816 1.00 0.00 O ATOM 1115 CB GLU A 76 -3.948 9.371 8.375 1.00 0.00 C ATOM 1116 CG GLU A 76 -4.893 9.094 7.218 1.00 0.00 C ATOM 1117 CD GLU A 76 -4.369 9.619 5.895 1.00 0.00 C ATOM 1118 OE1 GLU A 76 -3.735 10.696 5.896 1.00 0.00 O ATOM 1119 OE2 GLU A 76 -4.590 8.955 4.862 1.00 0.00 O ATOM 0 H GLU A 76 -4.221 6.976 9.983 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.417 7.950 7.876 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.533 9.650 9.252 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.322 10.227 8.124 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.058 8.019 7.138 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.861 9.550 7.427 1.00 0.00 H new ATOM 1126 N PRO A 77 -0.927 8.012 9.912 1.00 0.00 N ATOM 1127 CA PRO A 77 0.048 8.263 10.977 1.00 0.00 C ATOM 1128 C PRO A 77 0.566 9.698 10.962 1.00 0.00 C ATOM 1129 O PRO A 77 0.608 10.343 9.914 1.00 0.00 O ATOM 1130 CB PRO A 77 1.180 7.283 10.660 1.00 0.00 C ATOM 1131 CG PRO A 77 1.073 7.040 9.194 1.00 0.00 C ATOM 1132 CD PRO A 77 -0.393 7.120 8.868 1.00 0.00 C ATOM 0 HA PRO A 77 -0.386 8.128 11.967 1.00 0.00 H new ATOM 0 HB2 PRO A 77 2.151 7.703 10.922 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.071 6.356 11.224 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.639 7.783 8.633 1.00 0.00 H new ATOM 0 HG3 PRO A 77 1.479 6.064 8.929 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.561 7.524 7.870 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.865 6.138 8.898 1.00 0.00 H new ATOM 1140 N LYS A 78 0.959 10.192 12.130 1.00 0.00 N ATOM 1141 CA LYS A 78 1.476 11.550 12.253 1.00 0.00 C ATOM 1142 C LYS A 78 2.985 11.579 12.033 1.00 0.00 C ATOM 1143 O LYS A 78 3.715 10.734 12.552 1.00 0.00 O ATOM 1144 CB LYS A 78 1.139 12.124 13.631 1.00 0.00 C ATOM 1145 CG LYS A 78 1.090 13.641 13.663 1.00 0.00 C ATOM 1146 CD LYS A 78 0.321 14.150 14.870 1.00 0.00 C ATOM 1147 CE LYS A 78 1.227 14.303 16.083 1.00 0.00 C ATOM 1148 NZ LYS A 78 0.920 15.540 16.852 1.00 0.00 N ATOM 0 H LYS A 78 0.930 9.672 13.007 1.00 0.00 H new ATOM 0 HA LYS A 78 1.003 12.163 11.486 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.175 11.731 13.953 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.881 11.778 14.351 1.00 0.00 H new ATOM 0 HG2 LYS A 78 2.105 14.038 13.684 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.622 14.010 12.750 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.137 15.110 14.633 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.489 13.460 15.104 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.114 13.435 16.732 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.267 14.326 15.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.559 15.608 17.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.052 16.371 16.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.065 15.507 17.184 1.00 0.00 H new ATOM 1162 N HIS A 79 3.447 12.558 11.262 1.00 0.00 N ATOM 1163 CA HIS A 79 4.871 12.699 10.976 1.00 0.00 C ATOM 1164 C HIS A 79 5.246 14.168 10.793 1.00 0.00 C ATOM 1165 O HIS A 79 6.210 14.649 11.386 1.00 0.00 O ATOM 1166 CB HIS A 79 5.241 11.907 9.722 1.00 0.00 C ATOM 1167 CG HIS A 79 5.178 10.423 9.912 1.00 0.00 C ATOM 1168 ND1 HIS A 79 5.701 9.782 11.016 1.00 0.00 N ATOM 1169 CD2 HIS A 79 4.650 9.452 9.130 1.00 0.00 C ATOM 1170 CE1 HIS A 79 5.497 8.481 10.905 1.00 0.00 C ATOM 1171 NE2 HIS A 79 4.861 8.255 9.770 1.00 0.00 N ATOM 0 H HIS A 79 2.857 13.265 10.824 1.00 0.00 H new ATOM 0 HA HIS A 79 5.428 12.303 11.825 1.00 0.00 H new ATOM 0 HB2 HIS A 79 4.569 12.190 8.912 1.00 0.00 H new ATOM 0 HB3 HIS A 79 6.249 12.183 9.412 1.00 0.00 H new ATOM 0 HD2 HIS A 79 4.155 9.592 8.180 1.00 0.00 H new ATOM 0 HE1 HIS A 79 5.799 7.731 11.621 1.00 0.00 H new ATOM 0 HE2 HIS A 79 4.573 7.340 9.424 1.00 0.00 H new ATOM 1179 N ASN A 80 4.477 14.871 9.969 1.00 0.00 N ATOM 1180 CA ASN A 80 4.730 16.283 9.707 1.00 0.00 C ATOM 1181 C ASN A 80 3.427 17.078 9.704 1.00 0.00 C ATOM 1182 O ASN A 80 2.660 17.027 8.742 1.00 0.00 O ATOM 1183 CB ASN A 80 5.449 16.456 8.368 1.00 0.00 C ATOM 1184 CG ASN A 80 6.823 17.077 8.525 1.00 0.00 C ATOM 1185 OD1 ASN A 80 7.473 16.922 9.559 1.00 0.00 O ATOM 1186 ND2 ASN A 80 7.272 17.786 7.496 1.00 0.00 N ATOM 0 H ASN A 80 3.674 14.487 9.471 1.00 0.00 H new ATOM 0 HA ASN A 80 5.367 16.665 10.505 1.00 0.00 H new ATOM 0 HB2 ASN A 80 5.546 15.485 7.883 1.00 0.00 H new ATOM 0 HB3 ASN A 80 4.844 17.081 7.712 1.00 0.00 H new ATOM 0 HD21 ASN A 80 8.190 18.228 7.543 1.00 0.00 H new ATOM 0 HD22 ASN A 80 6.699 17.888 6.658 1.00 0.00 H new ATOM 1193 N SER A 81 3.184 17.812 10.786 1.00 0.00 N ATOM 1194 CA SER A 81 1.973 18.614 10.909 1.00 0.00 C ATOM 1195 C SER A 81 2.034 19.504 12.147 1.00 0.00 C ATOM 1196 O SER A 81 2.502 19.083 13.204 1.00 0.00 O ATOM 1197 CB SER A 81 0.741 17.709 10.978 1.00 0.00 C ATOM 1198 OG SER A 81 0.758 16.914 12.150 1.00 0.00 O ATOM 0 H SER A 81 3.810 17.867 11.589 1.00 0.00 H new ATOM 0 HA SER A 81 1.898 19.251 10.028 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.163 18.318 10.961 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.709 17.066 10.099 1.00 0.00 H new ATOM 0 HG SER A 81 -0.040 16.346 12.172 1.00 0.00 H new ATOM 1204 N ASN A 82 1.560 20.737 12.006 1.00 0.00 N ATOM 1205 CA ASN A 82 1.561 21.687 13.111 1.00 0.00 C ATOM 1206 C ASN A 82 2.985 21.998 13.560 1.00 0.00 C ATOM 1207 O ASN A 82 3.477 21.432 14.537 1.00 0.00 O ATOM 1208 CB ASN A 82 0.752 21.135 14.287 1.00 0.00 C ATOM 1209 CG ASN A 82 -0.723 21.003 13.963 1.00 0.00 C ATOM 1210 OD1 ASN A 82 -1.273 19.901 13.955 1.00 0.00 O ATOM 1211 ND2 ASN A 82 -1.373 22.130 13.695 1.00 0.00 N ATOM 0 H ASN A 82 1.170 21.102 11.137 1.00 0.00 H new ATOM 0 HA ASN A 82 1.099 22.611 12.763 1.00 0.00 H new ATOM 0 HB2 ASN A 82 1.148 20.160 14.570 1.00 0.00 H new ATOM 0 HB3 ASN A 82 0.875 21.791 15.149 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -2.368 22.104 13.471 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.877 23.021 13.713 1.00 0.00 H new ATOM 1218 N SER A 83 3.642 22.903 12.842 1.00 0.00 N ATOM 1219 CA SER A 83 5.012 23.287 13.164 1.00 0.00 C ATOM 1220 C SER A 83 5.447 24.493 12.336 1.00 0.00 C ATOM 1221 O SER A 83 5.881 25.509 12.879 1.00 0.00 O ATOM 1222 CB SER A 83 5.964 22.116 12.918 1.00 0.00 C ATOM 1223 OG SER A 83 6.657 21.764 14.104 1.00 0.00 O ATOM 0 H SER A 83 3.248 23.384 12.033 1.00 0.00 H new ATOM 0 HA SER A 83 5.048 23.560 14.219 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.402 21.257 12.553 1.00 0.00 H new ATOM 0 HB3 SER A 83 6.680 22.382 12.140 1.00 0.00 H new ATOM 0 HG SER A 83 7.258 21.012 13.921 1.00 0.00 H new ATOM 1229 N GLY A 84 5.327 24.372 11.017 1.00 0.00 N ATOM 1230 CA GLY A 84 5.711 25.457 10.135 1.00 0.00 C ATOM 1231 C GLY A 84 6.674 25.012 9.052 1.00 0.00 C ATOM 1232 O GLY A 84 7.531 24.155 9.268 1.00 0.00 O ATOM 0 H GLY A 84 4.971 23.541 10.544 1.00 0.00 H new ATOM 0 HA2 GLY A 84 4.818 25.878 9.672 1.00 0.00 H new ATOM 0 HA3 GLY A 84 6.171 26.252 10.722 1.00 0.00 H new ATOM 1236 N PRO A 85 6.536 25.599 7.854 1.00 0.00 N ATOM 1237 CA PRO A 85 7.390 25.272 6.709 1.00 0.00 C ATOM 1238 C PRO A 85 8.822 25.763 6.894 1.00 0.00 C ATOM 1239 O PRO A 85 9.052 26.938 7.180 1.00 0.00 O ATOM 1240 CB PRO A 85 6.720 26.005 5.545 1.00 0.00 C ATOM 1241 CG PRO A 85 5.983 27.132 6.181 1.00 0.00 C ATOM 1242 CD PRO A 85 5.535 26.628 7.525 1.00 0.00 C ATOM 0 HA PRO A 85 7.476 24.196 6.560 1.00 0.00 H new ATOM 0 HB2 PRO A 85 7.457 26.368 4.829 1.00 0.00 H new ATOM 0 HB3 PRO A 85 6.043 25.347 5.000 1.00 0.00 H new ATOM 0 HG2 PRO A 85 6.624 28.007 6.286 1.00 0.00 H new ATOM 0 HG3 PRO A 85 5.130 27.433 5.573 1.00 0.00 H new ATOM 0 HD2 PRO A 85 5.519 27.425 8.268 1.00 0.00 H new ATOM 0 HD3 PRO A 85 4.529 26.211 7.483 1.00 0.00 H new ATOM 1250 N SER A 86 9.780 24.857 6.731 1.00 0.00 N ATOM 1251 CA SER A 86 11.190 25.197 6.884 1.00 0.00 C ATOM 1252 C SER A 86 11.998 24.719 5.682 1.00 0.00 C ATOM 1253 O SER A 86 11.951 23.545 5.317 1.00 0.00 O ATOM 1254 CB SER A 86 11.749 24.582 8.168 1.00 0.00 C ATOM 1255 OG SER A 86 12.638 25.473 8.817 1.00 0.00 O ATOM 0 H SER A 86 9.606 23.881 6.493 1.00 0.00 H new ATOM 0 HA SER A 86 11.272 26.282 6.945 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.929 24.328 8.840 1.00 0.00 H new ATOM 0 HB3 SER A 86 12.268 23.653 7.933 1.00 0.00 H new ATOM 0 HG SER A 86 12.979 25.056 9.635 1.00 0.00 H new ATOM 1261 N SER A 87 12.739 25.638 5.072 1.00 0.00 N ATOM 1262 CA SER A 87 13.556 25.311 3.908 1.00 0.00 C ATOM 1263 C SER A 87 14.877 26.075 3.940 1.00 0.00 C ATOM 1264 O SER A 87 14.977 27.139 4.550 1.00 0.00 O ATOM 1265 CB SER A 87 12.798 25.636 2.620 1.00 0.00 C ATOM 1266 OG SER A 87 13.608 25.406 1.480 1.00 0.00 O ATOM 0 H SER A 87 12.791 26.614 5.363 1.00 0.00 H new ATOM 0 HA SER A 87 13.773 24.243 3.935 1.00 0.00 H new ATOM 0 HB2 SER A 87 11.898 25.024 2.560 1.00 0.00 H new ATOM 0 HB3 SER A 87 12.475 26.677 2.637 1.00 0.00 H new ATOM 0 HG SER A 87 13.100 25.619 0.669 1.00 0.00 H new ATOM 1272 N GLY A 88 15.889 25.522 3.279 1.00 0.00 N ATOM 1273 CA GLY A 88 17.190 26.163 3.243 1.00 0.00 C ATOM 1274 C GLY A 88 18.313 25.181 2.973 1.00 0.00 C ATOM 1275 O GLY A 88 18.861 24.583 3.899 1.00 0.00 O ATOM 0 H GLY A 88 15.831 24.641 2.768 1.00 0.00 H new ATOM 0 HA2 GLY A 88 17.191 26.933 2.471 1.00 0.00 H new ATOM 0 HA3 GLY A 88 17.371 26.665 4.194 1.00 0.00 H new TER 1279 GLY A 88