USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 396 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 44 SER OG : rot 140:sc= -0.0462 USER MOD Set 1.2: A 45 ASN : amide:sc= -12.2! C(o=-11!,f=-29!) USER MOD Set 1.3: A 47 THR OG1 : rot -86:sc= 1.53 USER MOD Set 2.1: A 26 SER OG : rot -69:sc= -0.374! USER MOD Set 2.2: A 49 THR OG1 : rot -100:sc= -0.842 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot -130:sc= -2.76! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.067 USER MOD Single : A 20 TYR OH : rot 180:sc= -0.474 USER MOD Single : A 28 ASN : amide:sc= -3.93! C(o=-3.9!,f=-8.5!) USER MOD Single : A 29 LYS NZ :NH3+ -158:sc= -2.52! (180deg=-4.69!) USER MOD Single : A 30 THR OG1 : rot 110:sc= -1.62! USER MOD Single : A 31 TYR OH : rot 167:sc= -0.494 USER MOD Single : A 33 ASN : amide:sc= -2.12! C(o=-2.1!,f=-15!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -9.76! C(o=-9.8!,f=-22!) USER MOD Single : A 39 ASN : amide:sc= -0.0225 X(o=-0.023,f=-0.26) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -11.5! C(o=-12!,f=-18!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 12.741 12.594 7.756 1.00 0.00 N ATOM 2 CA LEU A 1 11.263 12.580 7.574 1.00 0.00 C ATOM 3 C LEU A 1 10.886 13.500 6.411 1.00 0.00 C ATOM 4 O LEU A 1 11.041 14.703 6.484 1.00 0.00 O ATOM 5 CB LEU A 1 10.590 13.074 8.857 1.00 0.00 C ATOM 6 CG LEU A 1 9.088 12.789 8.792 1.00 0.00 C ATOM 7 CD1 LEU A 1 8.856 11.278 8.726 1.00 0.00 C ATOM 8 CD2 LEU A 1 8.411 13.352 10.043 1.00 0.00 C ATOM 0 H1 LEU A 1 12.999 11.969 8.546 1.00 0.00 H new ATOM 0 H2 LEU A 1 13.201 12.260 6.885 1.00 0.00 H new ATOM 0 H3 LEU A 1 13.056 13.563 7.964 1.00 0.00 H new ATOM 0 HA LEU A 1 10.930 11.565 7.356 1.00 0.00 H new ATOM 0 HB2 LEU A 1 11.027 12.578 9.723 1.00 0.00 H new ATOM 0 HB3 LEU A 1 10.762 14.143 8.982 1.00 0.00 H new ATOM 0 HG LEU A 1 8.667 13.260 7.904 1.00 0.00 H new ATOM 0 HD11 LEU A 1 7.786 11.076 8.680 1.00 0.00 H new ATOM 0 HD12 LEU A 1 9.340 10.874 7.837 1.00 0.00 H new ATOM 0 HD13 LEU A 1 9.276 10.806 9.614 1.00 0.00 H new ATOM 0 HD21 LEU A 1 7.341 13.150 9.999 1.00 0.00 H new ATOM 0 HD22 LEU A 1 8.834 12.879 10.929 1.00 0.00 H new ATOM 0 HD23 LEU A 1 8.576 14.428 10.093 1.00 0.00 H new ATOM 22 N ALA A 2 10.392 12.944 5.338 1.00 0.00 N ATOM 23 CA ALA A 2 10.008 13.788 4.172 1.00 0.00 C ATOM 24 C ALA A 2 9.449 12.898 3.060 1.00 0.00 C ATOM 25 O ALA A 2 9.870 12.969 1.923 1.00 0.00 O ATOM 26 CB ALA A 2 11.240 14.534 3.655 1.00 0.00 C ATOM 0 H ALA A 2 10.238 11.943 5.219 1.00 0.00 H new ATOM 0 HA ALA A 2 9.249 14.507 4.479 1.00 0.00 H new ATOM 0 HB1 ALA A 2 10.960 15.152 2.802 1.00 0.00 H new ATOM 0 HB2 ALA A 2 11.640 15.168 4.446 1.00 0.00 H new ATOM 0 HB3 ALA A 2 11.999 13.814 3.348 1.00 0.00 H new ATOM 32 N ALA A 3 8.498 12.061 3.376 1.00 0.00 N ATOM 33 CA ALA A 3 7.916 11.171 2.333 1.00 0.00 C ATOM 34 C ALA A 3 6.820 10.305 2.953 1.00 0.00 C ATOM 35 O ALA A 3 7.051 9.574 3.895 1.00 0.00 O ATOM 36 CB ALA A 3 9.013 10.271 1.757 1.00 0.00 C ATOM 0 H ALA A 3 8.100 11.956 4.309 1.00 0.00 H new ATOM 0 HA ALA A 3 7.490 11.780 1.535 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.586 9.620 0.994 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.794 10.888 1.312 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.441 9.663 2.554 1.00 0.00 H new ATOM 42 N VAL A 4 5.626 10.381 2.432 1.00 0.00 N ATOM 43 CA VAL A 4 4.515 9.559 2.990 1.00 0.00 C ATOM 44 C VAL A 4 3.623 9.066 1.848 1.00 0.00 C ATOM 45 O VAL A 4 2.488 9.473 1.713 1.00 0.00 O ATOM 46 CB VAL A 4 3.687 10.403 3.964 1.00 0.00 C ATOM 47 CG1 VAL A 4 4.435 10.532 5.291 1.00 0.00 C ATOM 48 CG2 VAL A 4 3.456 11.799 3.374 1.00 0.00 C ATOM 0 H VAL A 4 5.372 10.977 1.644 1.00 0.00 H new ATOM 0 HA VAL A 4 4.930 8.703 3.522 1.00 0.00 H new ATOM 0 HB VAL A 4 2.726 9.917 4.131 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.846 11.133 5.984 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.596 9.541 5.716 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.398 11.014 5.121 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.867 12.395 4.070 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.416 12.285 3.203 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.920 11.710 2.429 1.00 0.00 H new ATOM 58 N SER A 5 4.134 8.189 1.026 1.00 0.00 N ATOM 59 CA SER A 5 3.323 7.664 -0.108 1.00 0.00 C ATOM 60 C SER A 5 4.101 6.555 -0.821 1.00 0.00 C ATOM 61 O SER A 5 5.178 6.773 -1.337 1.00 0.00 O ATOM 62 CB SER A 5 3.034 8.795 -1.095 1.00 0.00 C ATOM 63 OG SER A 5 1.930 8.433 -1.915 1.00 0.00 O ATOM 0 H SER A 5 5.080 7.813 1.092 1.00 0.00 H new ATOM 0 HA SER A 5 2.383 7.264 0.273 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.814 9.716 -0.556 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.912 8.988 -1.712 1.00 0.00 H new ATOM 0 HG SER A 5 1.741 9.157 -2.548 1.00 0.00 H new ATOM 69 N VAL A 6 3.564 5.366 -0.854 1.00 0.00 N ATOM 70 CA VAL A 6 4.275 4.245 -1.533 1.00 0.00 C ATOM 71 C VAL A 6 3.947 4.258 -3.028 1.00 0.00 C ATOM 72 O VAL A 6 2.893 4.696 -3.439 1.00 0.00 O ATOM 73 CB VAL A 6 3.830 2.916 -0.919 1.00 0.00 C ATOM 74 CG1 VAL A 6 4.283 1.759 -1.812 1.00 0.00 C ATOM 75 CG2 VAL A 6 4.461 2.763 0.467 1.00 0.00 C ATOM 0 H VAL A 6 2.664 5.122 -0.440 1.00 0.00 H new ATOM 0 HA VAL A 6 5.351 4.364 -1.401 1.00 0.00 H new ATOM 0 HB VAL A 6 2.744 2.902 -0.833 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.965 0.814 -1.372 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.838 1.867 -2.801 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.369 1.771 -1.900 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.146 1.817 0.908 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.547 2.777 0.376 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.140 3.586 1.106 1.00 0.00 H new ATOM 85 N ASP A 7 4.847 3.779 -3.843 1.00 0.00 N ATOM 86 CA ASP A 7 4.593 3.763 -5.311 1.00 0.00 C ATOM 87 C ASP A 7 4.178 2.356 -5.743 1.00 0.00 C ATOM 88 O ASP A 7 4.816 1.377 -5.405 1.00 0.00 O ATOM 89 CB ASP A 7 5.870 4.168 -6.053 1.00 0.00 C ATOM 90 CG ASP A 7 5.718 3.858 -7.542 1.00 0.00 C ATOM 91 OD1 ASP A 7 4.593 3.859 -8.016 1.00 0.00 O ATOM 92 OD2 ASP A 7 6.728 3.623 -8.185 1.00 0.00 O ATOM 0 H ASP A 7 5.748 3.398 -3.555 1.00 0.00 H new ATOM 0 HA ASP A 7 3.794 4.466 -5.549 1.00 0.00 H new ATOM 0 HB2 ASP A 7 6.064 5.231 -5.910 1.00 0.00 H new ATOM 0 HB3 ASP A 7 6.726 3.630 -5.645 1.00 0.00 H new ATOM 97 N CYS A 8 3.115 2.244 -6.491 1.00 0.00 N ATOM 98 CA CYS A 8 2.662 0.901 -6.945 1.00 0.00 C ATOM 99 C CYS A 8 2.611 0.872 -8.476 1.00 0.00 C ATOM 100 O CYS A 8 1.578 0.625 -9.067 1.00 0.00 O ATOM 101 CB CYS A 8 1.269 0.617 -6.380 1.00 0.00 C ATOM 102 SG CYS A 8 1.261 0.953 -4.602 1.00 0.00 S ATOM 0 H CYS A 8 2.541 3.026 -6.807 1.00 0.00 H new ATOM 0 HA CYS A 8 3.359 0.141 -6.591 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.527 1.238 -6.882 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.994 -0.421 -6.566 1.00 0.00 H new ATOM 107 N SER A 9 3.718 1.124 -9.122 1.00 0.00 N ATOM 108 CA SER A 9 3.731 1.110 -10.613 1.00 0.00 C ATOM 109 C SER A 9 3.882 -0.329 -11.107 1.00 0.00 C ATOM 110 O SER A 9 3.611 -0.636 -12.250 1.00 0.00 O ATOM 111 CB SER A 9 4.901 1.953 -11.121 1.00 0.00 C ATOM 112 OG SER A 9 5.138 1.653 -12.489 1.00 0.00 O ATOM 0 H SER A 9 4.613 1.339 -8.682 1.00 0.00 H new ATOM 0 HA SER A 9 2.796 1.526 -10.990 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.678 3.013 -11.003 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.795 1.748 -10.532 1.00 0.00 H new ATOM 0 HG SER A 9 5.887 2.193 -12.817 1.00 0.00 H new ATOM 118 N GLU A 10 4.303 -1.212 -10.248 1.00 0.00 N ATOM 119 CA GLU A 10 4.463 -2.636 -10.655 1.00 0.00 C ATOM 120 C GLU A 10 3.231 -3.427 -10.207 1.00 0.00 C ATOM 121 O GLU A 10 3.113 -4.611 -10.454 1.00 0.00 O ATOM 122 CB GLU A 10 5.713 -3.219 -9.991 1.00 0.00 C ATOM 123 CG GLU A 10 6.935 -2.381 -10.374 1.00 0.00 C ATOM 124 CD GLU A 10 7.497 -1.698 -9.125 1.00 0.00 C ATOM 125 OE1 GLU A 10 7.787 -2.399 -8.170 1.00 0.00 O ATOM 126 OE2 GLU A 10 7.626 -0.485 -9.145 1.00 0.00 O ATOM 0 H GLU A 10 4.544 -1.009 -9.278 1.00 0.00 H new ATOM 0 HA GLU A 10 4.566 -2.699 -11.738 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.591 -3.229 -8.908 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.855 -4.253 -10.305 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.696 -3.015 -10.828 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.658 -1.633 -11.117 1.00 0.00 H new ATOM 133 N TYR A 11 2.313 -2.775 -9.545 1.00 0.00 N ATOM 134 CA TYR A 11 1.091 -3.461 -9.068 1.00 0.00 C ATOM 135 C TYR A 11 0.056 -3.490 -10.201 1.00 0.00 C ATOM 136 O TYR A 11 0.203 -2.801 -11.191 1.00 0.00 O ATOM 137 CB TYR A 11 0.569 -2.683 -7.853 1.00 0.00 C ATOM 138 CG TYR A 11 1.352 -3.121 -6.636 1.00 0.00 C ATOM 139 CD1 TYR A 11 2.537 -2.456 -6.302 1.00 0.00 C ATOM 140 CD2 TYR A 11 0.910 -4.198 -5.855 1.00 0.00 C ATOM 141 CE1 TYR A 11 3.277 -2.861 -5.187 1.00 0.00 C ATOM 142 CE2 TYR A 11 1.657 -4.605 -4.740 1.00 0.00 C ATOM 143 CZ TYR A 11 2.838 -3.936 -4.409 1.00 0.00 C ATOM 144 OH TYR A 11 3.570 -4.341 -3.315 1.00 0.00 O ATOM 0 H TYR A 11 2.364 -1.783 -9.314 1.00 0.00 H new ATOM 0 HA TYR A 11 1.296 -4.491 -8.777 1.00 0.00 H new ATOM 0 HB2 TYR A 11 0.682 -1.611 -8.012 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.495 -2.873 -7.709 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.880 -1.629 -6.906 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.004 -4.713 -6.111 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.188 -2.343 -4.927 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.319 -5.435 -4.137 1.00 0.00 H new ATOM 0 HH TYR A 11 3.710 -5.310 -3.356 1.00 0.00 H new ATOM 154 N PRO A 12 -0.947 -4.311 -10.032 1.00 0.00 N ATOM 155 CA PRO A 12 -1.118 -5.141 -8.831 1.00 0.00 C ATOM 156 C PRO A 12 -0.315 -6.442 -8.946 1.00 0.00 C ATOM 157 O PRO A 12 -0.038 -6.923 -10.027 1.00 0.00 O ATOM 158 CB PRO A 12 -2.628 -5.412 -8.807 1.00 0.00 C ATOM 159 CG PRO A 12 -3.138 -5.208 -10.260 1.00 0.00 C ATOM 160 CD PRO A 12 -2.008 -4.501 -11.036 1.00 0.00 C ATOM 0 HA PRO A 12 -0.760 -4.662 -7.920 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.834 -6.425 -8.462 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.133 -4.733 -8.120 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.383 -6.165 -10.721 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.047 -4.607 -10.269 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.661 -5.106 -11.874 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.342 -3.549 -11.448 1.00 0.00 H new ATOM 168 N LYS A 13 0.068 -7.004 -7.831 1.00 0.00 N ATOM 169 CA LYS A 13 0.864 -8.264 -7.853 1.00 0.00 C ATOM 170 C LYS A 13 -0.041 -9.453 -7.509 1.00 0.00 C ATOM 171 O LYS A 13 -0.893 -9.349 -6.650 1.00 0.00 O ATOM 172 CB LYS A 13 1.975 -8.168 -6.805 1.00 0.00 C ATOM 173 CG LYS A 13 3.326 -7.981 -7.499 1.00 0.00 C ATOM 174 CD LYS A 13 4.454 -8.163 -6.480 1.00 0.00 C ATOM 175 CE LYS A 13 5.108 -9.531 -6.678 1.00 0.00 C ATOM 176 NZ LYS A 13 6.582 -9.410 -6.497 1.00 0.00 N ATOM 0 H LYS A 13 -0.138 -6.641 -6.900 1.00 0.00 H new ATOM 0 HA LYS A 13 1.292 -8.406 -8.845 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.782 -7.332 -6.133 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.991 -9.071 -6.195 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.434 -8.702 -8.309 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.383 -6.989 -7.946 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.196 -7.373 -6.599 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.060 -8.080 -5.467 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.701 -10.247 -5.964 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.884 -9.912 -7.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.026 -10.341 -6.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.964 -8.740 -7.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.787 -9.065 -5.538 1.00 0.00 H new ATOM 190 N PRO A 14 0.179 -10.558 -8.185 1.00 0.00 N ATOM 191 CA PRO A 14 -0.598 -11.793 -7.963 1.00 0.00 C ATOM 192 C PRO A 14 -0.073 -12.536 -6.732 1.00 0.00 C ATOM 193 O PRO A 14 -0.394 -13.684 -6.497 1.00 0.00 O ATOM 194 CB PRO A 14 -0.352 -12.603 -9.237 1.00 0.00 C ATOM 195 CG PRO A 14 0.967 -12.069 -9.845 1.00 0.00 C ATOM 196 CD PRO A 14 1.203 -10.672 -9.247 1.00 0.00 C ATOM 0 HA PRO A 14 -1.657 -11.610 -7.779 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.274 -13.667 -9.012 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.179 -12.485 -9.938 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.798 -12.735 -9.610 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.898 -12.017 -10.932 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.210 -10.577 -8.842 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.087 -9.891 -9.999 1.00 0.00 H new ATOM 204 N ALA A 15 0.730 -11.878 -5.949 1.00 0.00 N ATOM 205 CA ALA A 15 1.290 -12.515 -4.725 1.00 0.00 C ATOM 206 C ALA A 15 1.873 -11.425 -3.828 1.00 0.00 C ATOM 207 O ALA A 15 2.851 -10.786 -4.163 1.00 0.00 O ATOM 208 CB ALA A 15 2.393 -13.498 -5.113 1.00 0.00 C ATOM 0 H ALA A 15 1.027 -10.915 -6.105 1.00 0.00 H new ATOM 0 HA ALA A 15 0.503 -13.053 -4.197 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.800 -13.962 -4.214 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.981 -14.269 -5.764 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.187 -12.966 -5.638 1.00 0.00 H new ATOM 214 N CYS A 16 1.275 -11.203 -2.695 1.00 0.00 N ATOM 215 CA CYS A 16 1.786 -10.145 -1.781 1.00 0.00 C ATOM 216 C CYS A 16 2.924 -10.699 -0.925 1.00 0.00 C ATOM 217 O CYS A 16 2.897 -11.838 -0.500 1.00 0.00 O ATOM 218 CB CYS A 16 0.653 -9.675 -0.869 1.00 0.00 C ATOM 219 SG CYS A 16 -0.589 -8.805 -1.854 1.00 0.00 S ATOM 0 H CYS A 16 0.454 -11.708 -2.360 1.00 0.00 H new ATOM 0 HA CYS A 16 2.157 -9.309 -2.374 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.200 -10.528 -0.364 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.045 -9.017 -0.094 1.00 0.00 H new ATOM 224 N THR A 17 3.916 -9.897 -0.656 1.00 0.00 N ATOM 225 CA THR A 17 5.044 -10.375 0.188 1.00 0.00 C ATOM 226 C THR A 17 4.470 -10.903 1.500 1.00 0.00 C ATOM 227 O THR A 17 3.272 -11.028 1.652 1.00 0.00 O ATOM 228 CB THR A 17 5.999 -9.216 0.477 1.00 0.00 C ATOM 229 OG1 THR A 17 5.295 -7.985 0.375 1.00 0.00 O ATOM 230 CG2 THR A 17 7.146 -9.234 -0.533 1.00 0.00 C ATOM 0 H THR A 17 3.994 -8.934 -0.983 1.00 0.00 H new ATOM 0 HA THR A 17 5.592 -11.163 -0.329 1.00 0.00 H new ATOM 0 HB THR A 17 6.402 -9.321 1.484 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.906 -7.242 0.562 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.826 -8.408 -0.326 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.686 -10.177 -0.453 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.745 -9.130 -1.541 1.00 0.00 H new ATOM 238 N LEU A 18 5.301 -11.212 2.454 1.00 0.00 N ATOM 239 CA LEU A 18 4.763 -11.722 3.740 1.00 0.00 C ATOM 240 C LEU A 18 5.292 -10.874 4.900 1.00 0.00 C ATOM 241 O LEU A 18 4.614 -10.680 5.889 1.00 0.00 O ATOM 242 CB LEU A 18 5.172 -13.186 3.930 1.00 0.00 C ATOM 243 CG LEU A 18 6.698 -13.303 3.926 1.00 0.00 C ATOM 244 CD1 LEU A 18 7.165 -13.943 5.234 1.00 0.00 C ATOM 245 CD2 LEU A 18 7.141 -14.173 2.749 1.00 0.00 C ATOM 0 H LEU A 18 6.317 -11.134 2.400 1.00 0.00 H new ATOM 0 HA LEU A 18 3.675 -11.657 3.723 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.772 -13.566 4.870 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.749 -13.798 3.133 1.00 0.00 H new ATOM 0 HG LEU A 18 7.136 -12.310 3.830 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.252 -14.026 5.231 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.851 -13.324 6.074 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.725 -14.936 5.331 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.228 -14.256 2.747 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.702 -15.166 2.845 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.810 -13.718 1.815 1.00 0.00 H new ATOM 257 N GLU A 19 6.483 -10.349 4.790 1.00 0.00 N ATOM 258 CA GLU A 19 7.008 -9.507 5.883 1.00 0.00 C ATOM 259 C GLU A 19 5.931 -8.496 6.233 1.00 0.00 C ATOM 260 O GLU A 19 5.217 -8.011 5.380 1.00 0.00 O ATOM 261 CB GLU A 19 8.274 -8.786 5.427 1.00 0.00 C ATOM 262 CG GLU A 19 8.010 -8.097 4.091 1.00 0.00 C ATOM 263 CD GLU A 19 8.942 -8.673 3.024 1.00 0.00 C ATOM 264 OE1 GLU A 19 9.249 -9.852 3.106 1.00 0.00 O ATOM 265 OE2 GLU A 19 9.335 -7.927 2.143 1.00 0.00 O ATOM 0 H GLU A 19 7.106 -10.471 3.992 1.00 0.00 H new ATOM 0 HA GLU A 19 7.261 -10.116 6.751 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.577 -8.052 6.174 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.095 -9.496 5.327 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.970 -8.240 3.796 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.170 -7.023 4.186 1.00 0.00 H new ATOM 272 N TYR A 20 5.786 -8.202 7.478 1.00 0.00 N ATOM 273 CA TYR A 20 4.719 -7.247 7.879 1.00 0.00 C ATOM 274 C TYR A 20 5.235 -5.816 7.884 1.00 0.00 C ATOM 275 O TYR A 20 6.211 -5.472 8.520 1.00 0.00 O ATOM 276 CB TYR A 20 4.175 -7.600 9.261 1.00 0.00 C ATOM 277 CG TYR A 20 2.905 -6.815 9.528 1.00 0.00 C ATOM 278 CD1 TYR A 20 1.948 -6.639 8.512 1.00 0.00 C ATOM 279 CD2 TYR A 20 2.680 -6.268 10.798 1.00 0.00 C ATOM 280 CE1 TYR A 20 0.773 -5.916 8.770 1.00 0.00 C ATOM 281 CE2 TYR A 20 1.506 -5.547 11.052 1.00 0.00 C ATOM 282 CZ TYR A 20 0.554 -5.373 10.040 1.00 0.00 C ATOM 283 OH TYR A 20 -0.601 -4.662 10.293 1.00 0.00 O ATOM 0 H TYR A 20 6.352 -8.575 8.240 1.00 0.00 H new ATOM 0 HA TYR A 20 3.916 -7.324 7.146 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.972 -8.669 9.320 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.920 -7.375 10.024 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.118 -7.061 7.532 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.412 -6.402 11.581 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.039 -5.779 7.989 1.00 0.00 H new ATOM 0 HE2 TYR A 20 1.335 -5.124 12.031 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.598 -4.354 11.223 1.00 0.00 H new ATOM 293 N ARG A 21 4.539 -4.989 7.178 1.00 0.00 N ATOM 294 CA ARG A 21 4.878 -3.545 7.085 1.00 0.00 C ATOM 295 C ARG A 21 3.610 -2.848 6.603 1.00 0.00 C ATOM 296 O ARG A 21 3.526 -2.447 5.463 1.00 0.00 O ATOM 297 CB ARG A 21 6.016 -3.316 6.080 1.00 0.00 C ATOM 298 CG ARG A 21 6.814 -4.609 5.882 1.00 0.00 C ATOM 299 CD ARG A 21 7.877 -4.393 4.801 1.00 0.00 C ATOM 300 NE ARG A 21 9.165 -5.004 5.238 1.00 0.00 N ATOM 301 CZ ARG A 21 9.742 -4.599 6.336 1.00 0.00 C ATOM 302 NH1 ARG A 21 9.532 -3.389 6.777 1.00 0.00 N ATOM 303 NH2 ARG A 21 10.532 -5.404 6.994 1.00 0.00 N ATOM 0 H ARG A 21 3.716 -5.260 6.639 1.00 0.00 H new ATOM 0 HA ARG A 21 5.215 -3.158 8.047 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.607 -2.982 5.126 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.674 -2.525 6.439 1.00 0.00 H new ATOM 0 HG2 ARG A 21 7.287 -4.904 6.819 1.00 0.00 H new ATOM 0 HG3 ARG A 21 6.146 -5.420 5.593 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.551 -4.840 3.862 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.012 -3.327 4.617 1.00 0.00 H new ATOM 0 HE ARG A 21 9.596 -5.740 4.678 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.916 -2.759 6.263 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.984 -3.074 7.635 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.698 -6.350 6.650 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.983 -5.087 7.852 1.00 0.00 H new ATOM 317 N PRO A 22 2.646 -2.775 7.492 1.00 0.00 N ATOM 318 CA PRO A 22 1.308 -2.206 7.204 1.00 0.00 C ATOM 319 C PRO A 22 1.356 -0.748 6.795 1.00 0.00 C ATOM 320 O PRO A 22 1.956 0.064 7.451 1.00 0.00 O ATOM 321 CB PRO A 22 0.549 -2.374 8.530 1.00 0.00 C ATOM 322 CG PRO A 22 1.625 -2.558 9.617 1.00 0.00 C ATOM 323 CD PRO A 22 2.825 -3.196 8.900 1.00 0.00 C ATOM 0 HA PRO A 22 0.836 -2.709 6.360 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.070 -1.501 8.738 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.117 -3.236 8.491 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.898 -1.603 10.065 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.264 -3.197 10.423 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.772 -2.842 9.308 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.821 -4.282 8.999 1.00 0.00 H new ATOM 331 N LEU A 23 0.700 -0.400 5.721 1.00 0.00 N ATOM 332 CA LEU A 23 0.693 1.018 5.314 1.00 0.00 C ATOM 333 C LEU A 23 -0.737 1.535 5.417 1.00 0.00 C ATOM 334 O LEU A 23 -1.659 0.957 4.874 1.00 0.00 O ATOM 335 CB LEU A 23 1.219 1.129 3.890 1.00 0.00 C ATOM 336 CG LEU A 23 2.637 0.567 3.873 1.00 0.00 C ATOM 337 CD1 LEU A 23 2.694 -0.668 2.984 1.00 0.00 C ATOM 338 CD2 LEU A 23 3.599 1.622 3.346 1.00 0.00 C ATOM 0 H LEU A 23 0.176 -1.035 5.119 1.00 0.00 H new ATOM 0 HA LEU A 23 1.335 1.617 5.960 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.580 0.575 3.202 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.216 2.168 3.561 1.00 0.00 H new ATOM 0 HG LEU A 23 2.924 0.290 4.887 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.709 -1.064 2.976 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.012 -1.426 3.370 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.402 -0.399 1.969 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.611 1.218 3.335 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.310 1.905 2.334 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.566 2.500 3.991 1.00 0.00 H new ATOM 350 N CYS A 24 -0.934 2.611 6.125 1.00 0.00 N ATOM 351 CA CYS A 24 -2.311 3.150 6.274 1.00 0.00 C ATOM 352 C CYS A 24 -2.669 3.891 5.002 1.00 0.00 C ATOM 353 O CYS A 24 -1.893 4.677 4.494 1.00 0.00 O ATOM 354 CB CYS A 24 -2.369 4.137 7.443 1.00 0.00 C ATOM 355 SG CYS A 24 -3.954 5.015 7.423 1.00 0.00 S ATOM 0 H CYS A 24 -0.204 3.138 6.605 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.004 2.330 6.461 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.249 3.605 8.387 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.547 4.849 7.371 1.00 0.00 H new ATOM 360 N GLY A 25 -3.830 3.662 4.476 1.00 0.00 N ATOM 361 CA GLY A 25 -4.196 4.376 3.238 1.00 0.00 C ATOM 362 C GLY A 25 -4.554 5.825 3.591 1.00 0.00 C ATOM 363 O GLY A 25 -4.140 6.344 4.608 1.00 0.00 O ATOM 0 H GLY A 25 -4.532 3.020 4.844 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.367 4.354 2.530 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.041 3.885 2.755 1.00 0.00 H new ATOM 367 N SER A 26 -5.317 6.482 2.760 1.00 0.00 N ATOM 368 CA SER A 26 -5.694 7.895 3.055 1.00 0.00 C ATOM 369 C SER A 26 -7.027 7.940 3.800 1.00 0.00 C ATOM 370 O SER A 26 -7.088 8.332 4.948 1.00 0.00 O ATOM 371 CB SER A 26 -5.798 8.691 1.752 1.00 0.00 C ATOM 372 OG SER A 26 -6.146 7.820 0.684 1.00 0.00 O ATOM 0 H SER A 26 -5.695 6.103 1.892 1.00 0.00 H new ATOM 0 HA SER A 26 -4.923 8.340 3.684 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.548 9.476 1.853 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.849 9.183 1.538 1.00 0.00 H new ATOM 0 HG SER A 26 -5.397 7.217 0.496 1.00 0.00 H new ATOM 378 N ASP A 27 -8.093 7.553 3.151 1.00 0.00 N ATOM 379 CA ASP A 27 -9.427 7.581 3.816 1.00 0.00 C ATOM 380 C ASP A 27 -9.283 7.111 5.262 1.00 0.00 C ATOM 381 O ASP A 27 -9.886 7.667 6.153 1.00 0.00 O ATOM 382 CB ASP A 27 -10.390 6.652 3.074 1.00 0.00 C ATOM 383 CG ASP A 27 -9.731 5.286 2.874 1.00 0.00 C ATOM 384 OD1 ASP A 27 -8.856 5.191 2.029 1.00 0.00 O ATOM 385 OD2 ASP A 27 -10.113 4.357 3.567 1.00 0.00 O ATOM 0 H ASP A 27 -8.097 7.218 2.187 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.819 8.598 3.799 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.315 6.542 3.641 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.657 7.083 2.109 1.00 0.00 H new ATOM 390 N ASN A 28 -8.465 6.099 5.471 1.00 0.00 N ATOM 391 CA ASN A 28 -8.210 5.528 6.835 1.00 0.00 C ATOM 392 C ASN A 28 -8.296 4.000 6.772 1.00 0.00 C ATOM 393 O ASN A 28 -8.742 3.361 7.705 1.00 0.00 O ATOM 394 CB ASN A 28 -9.234 6.014 7.859 1.00 0.00 C ATOM 395 CG ASN A 28 -10.644 5.615 7.417 1.00 0.00 C ATOM 396 OD1 ASN A 28 -10.808 4.846 6.490 1.00 0.00 O ATOM 397 ND2 ASN A 28 -11.677 6.111 8.043 1.00 0.00 N ATOM 0 H ASN A 28 -7.948 5.633 4.725 1.00 0.00 H new ATOM 0 HA ASN A 28 -7.219 5.859 7.144 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -9.015 5.585 8.837 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.170 7.097 7.965 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -12.621 5.853 7.754 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.540 6.756 8.821 1.00 0.00 H new ATOM 404 N LYS A 29 -7.883 3.404 5.688 1.00 0.00 N ATOM 405 CA LYS A 29 -7.958 1.919 5.588 1.00 0.00 C ATOM 406 C LYS A 29 -6.553 1.328 5.667 1.00 0.00 C ATOM 407 O LYS A 29 -5.764 1.413 4.748 1.00 0.00 O ATOM 408 CB LYS A 29 -8.597 1.528 4.265 1.00 0.00 C ATOM 409 CG LYS A 29 -7.912 2.302 3.150 1.00 0.00 C ATOM 410 CD LYS A 29 -7.992 1.508 1.844 1.00 0.00 C ATOM 411 CE LYS A 29 -7.156 2.203 0.768 1.00 0.00 C ATOM 412 NZ LYS A 29 -5.709 2.025 1.070 1.00 0.00 N ATOM 0 H LYS A 29 -7.499 3.878 4.871 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.561 1.534 6.410 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.497 0.455 4.098 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.664 1.750 4.280 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.387 3.275 3.025 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.870 2.488 3.410 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.629 0.492 2.001 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.029 1.429 1.518 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.387 1.787 -0.212 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.402 3.264 0.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.161 2.770 0.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.559 2.087 2.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.395 1.094 0.730 1.00 0.00 H new ATOM 426 N THR A 30 -6.249 0.723 6.761 1.00 0.00 N ATOM 427 CA THR A 30 -4.904 0.109 6.929 1.00 0.00 C ATOM 428 C THR A 30 -4.762 -1.052 5.957 1.00 0.00 C ATOM 429 O THR A 30 -5.727 -1.694 5.593 1.00 0.00 O ATOM 430 CB THR A 30 -4.743 -0.416 8.358 1.00 0.00 C ATOM 431 OG1 THR A 30 -4.738 0.681 9.259 1.00 0.00 O ATOM 432 CG2 THR A 30 -3.423 -1.197 8.482 1.00 0.00 C ATOM 0 H THR A 30 -6.874 0.621 7.561 1.00 0.00 H new ATOM 0 HA THR A 30 -4.140 0.861 6.732 1.00 0.00 H new ATOM 0 HB THR A 30 -5.572 -1.082 8.597 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.566 0.677 9.784 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.314 -1.568 9.501 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.431 -2.038 7.789 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.587 -0.539 8.244 1.00 0.00 H new ATOM 440 N TYR A 31 -3.564 -1.343 5.555 1.00 0.00 N ATOM 441 CA TYR A 31 -3.350 -2.478 4.633 1.00 0.00 C ATOM 442 C TYR A 31 -2.240 -3.339 5.240 1.00 0.00 C ATOM 443 O TYR A 31 -1.324 -2.827 5.858 1.00 0.00 O ATOM 444 CB TYR A 31 -2.985 -1.960 3.237 1.00 0.00 C ATOM 445 CG TYR A 31 -4.217 -2.032 2.364 1.00 0.00 C ATOM 446 CD1 TYR A 31 -4.799 -3.271 2.077 1.00 0.00 C ATOM 447 CD2 TYR A 31 -4.786 -0.860 1.852 1.00 0.00 C ATOM 448 CE1 TYR A 31 -5.943 -3.341 1.275 1.00 0.00 C ATOM 449 CE2 TYR A 31 -5.933 -0.929 1.051 1.00 0.00 C ATOM 450 CZ TYR A 31 -6.511 -2.170 0.762 1.00 0.00 C ATOM 451 OH TYR A 31 -7.640 -2.240 -0.028 1.00 0.00 O ATOM 0 H TYR A 31 -2.720 -0.840 5.828 1.00 0.00 H new ATOM 0 HA TYR A 31 -4.253 -3.077 4.512 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.622 -0.934 3.296 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -2.181 -2.559 2.809 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.364 -4.176 2.475 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.340 0.098 2.075 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -6.388 -4.299 1.052 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.371 -0.024 0.656 1.00 0.00 H new ATOM 0 HH TYR A 31 -8.025 -1.344 -0.129 1.00 0.00 H new ATOM 461 N GLY A 32 -2.332 -4.640 5.124 1.00 0.00 N ATOM 462 CA GLY A 32 -1.307 -5.505 5.765 1.00 0.00 C ATOM 463 C GLY A 32 0.097 -4.999 5.453 1.00 0.00 C ATOM 464 O GLY A 32 0.990 -5.089 6.271 1.00 0.00 O ATOM 0 H GLY A 32 -3.067 -5.133 4.617 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.461 -5.522 6.844 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.416 -6.530 5.411 1.00 0.00 H new ATOM 468 N ASN A 33 0.317 -4.472 4.284 1.00 0.00 N ATOM 469 CA ASN A 33 1.682 -3.985 3.972 1.00 0.00 C ATOM 470 C ASN A 33 1.695 -3.257 2.634 1.00 0.00 C ATOM 471 O ASN A 33 0.700 -2.720 2.199 1.00 0.00 O ATOM 472 CB ASN A 33 2.649 -5.175 3.939 1.00 0.00 C ATOM 473 CG ASN A 33 2.255 -6.120 2.802 1.00 0.00 C ATOM 474 OD1 ASN A 33 1.636 -5.706 1.846 1.00 0.00 O ATOM 475 ND2 ASN A 33 2.587 -7.381 2.866 1.00 0.00 N ATOM 0 H ASN A 33 -0.376 -4.359 3.544 1.00 0.00 H new ATOM 0 HA ASN A 33 1.998 -3.283 4.744 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.671 -4.823 3.796 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.624 -5.704 4.892 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.325 -8.016 2.112 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.108 -7.731 3.670 1.00 0.00 H new ATOM 482 N LYS A 34 2.830 -3.204 1.996 1.00 0.00 N ATOM 483 CA LYS A 34 2.925 -2.476 0.704 1.00 0.00 C ATOM 484 C LYS A 34 2.048 -3.139 -0.358 1.00 0.00 C ATOM 485 O LYS A 34 1.380 -2.466 -1.103 1.00 0.00 O ATOM 486 CB LYS A 34 4.382 -2.451 0.235 1.00 0.00 C ATOM 487 CG LYS A 34 5.048 -3.803 0.527 1.00 0.00 C ATOM 488 CD LYS A 34 6.310 -3.951 -0.328 1.00 0.00 C ATOM 489 CE LYS A 34 5.948 -3.832 -1.810 1.00 0.00 C ATOM 490 NZ LYS A 34 6.714 -2.708 -2.419 1.00 0.00 N ATOM 0 H LYS A 34 3.697 -3.635 2.316 1.00 0.00 H new ATOM 0 HA LYS A 34 2.572 -1.456 0.852 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.426 -2.237 -0.833 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.923 -1.652 0.742 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.303 -3.873 1.584 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.354 -4.615 0.312 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.035 -3.183 -0.058 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.780 -4.915 -0.135 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.176 -4.764 -2.327 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.878 -3.659 -1.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 6.469 -2.626 -3.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.475 -1.821 -1.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.733 -2.891 -2.325 1.00 0.00 H new ATOM 504 N CYS A 35 2.033 -4.440 -0.446 1.00 0.00 N ATOM 505 CA CYS A 35 1.175 -5.090 -1.468 1.00 0.00 C ATOM 506 C CYS A 35 -0.287 -4.832 -1.109 1.00 0.00 C ATOM 507 O CYS A 35 -1.040 -4.280 -1.880 1.00 0.00 O ATOM 508 CB CYS A 35 1.435 -6.596 -1.481 1.00 0.00 C ATOM 509 SG CYS A 35 0.463 -7.365 -2.799 1.00 0.00 S ATOM 0 H CYS A 35 2.574 -5.075 0.142 1.00 0.00 H new ATOM 0 HA CYS A 35 1.400 -4.682 -2.454 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.496 -6.791 -1.636 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.168 -7.030 -0.517 1.00 0.00 H new ATOM 514 N ASN A 36 -0.687 -5.225 0.063 1.00 0.00 N ATOM 515 CA ASN A 36 -2.100 -5.003 0.488 1.00 0.00 C ATOM 516 C ASN A 36 -2.493 -3.541 0.218 1.00 0.00 C ATOM 517 O ASN A 36 -3.608 -3.248 -0.162 1.00 0.00 O ATOM 518 CB ASN A 36 -2.249 -5.306 1.990 1.00 0.00 C ATOM 519 CG ASN A 36 -1.309 -6.447 2.400 1.00 0.00 C ATOM 520 OD1 ASN A 36 -0.750 -6.444 3.470 1.00 0.00 O ATOM 521 ND2 ASN A 36 -1.117 -7.429 1.584 1.00 0.00 N ATOM 0 H ASN A 36 -0.097 -5.693 0.751 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.753 -5.668 -0.078 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.023 -4.413 2.572 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.281 -5.578 2.212 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -0.497 -8.195 1.845 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.586 -7.439 0.678 1.00 0.00 H new ATOM 528 N PHE A 37 -1.581 -2.626 0.413 1.00 0.00 N ATOM 529 CA PHE A 37 -1.890 -1.180 0.181 1.00 0.00 C ATOM 530 C PHE A 37 -2.055 -0.909 -1.307 1.00 0.00 C ATOM 531 O PHE A 37 -3.022 -0.329 -1.762 1.00 0.00 O ATOM 532 CB PHE A 37 -0.737 -0.323 0.726 1.00 0.00 C ATOM 533 CG PHE A 37 -1.002 1.125 0.442 1.00 0.00 C ATOM 534 CD1 PHE A 37 -2.197 1.732 0.829 1.00 0.00 C ATOM 535 CD2 PHE A 37 -0.036 1.845 -0.242 1.00 0.00 C ATOM 536 CE1 PHE A 37 -2.421 3.088 0.526 1.00 0.00 C ATOM 537 CE2 PHE A 37 -0.247 3.193 -0.546 1.00 0.00 C ATOM 538 CZ PHE A 37 -1.441 3.817 -0.162 1.00 0.00 C ATOM 0 H PHE A 37 -0.629 -2.817 0.725 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.818 -0.928 0.693 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.632 -0.479 1.800 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.203 -0.627 0.266 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.947 1.164 1.359 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.883 1.363 -0.541 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.344 3.565 0.822 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.509 3.753 -1.076 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.606 4.858 -0.396 1.00 0.00 H new ATOM 548 N CYS A 38 -1.094 -1.321 -2.046 1.00 0.00 N ATOM 549 CA CYS A 38 -1.100 -1.114 -3.522 1.00 0.00 C ATOM 550 C CYS A 38 -2.376 -1.692 -4.133 1.00 0.00 C ATOM 551 O CYS A 38 -3.148 -0.980 -4.728 1.00 0.00 O ATOM 552 CB CYS A 38 0.115 -1.806 -4.137 1.00 0.00 C ATOM 553 SG CYS A 38 1.605 -0.850 -3.758 1.00 0.00 S ATOM 0 H CYS A 38 -0.272 -1.810 -1.692 1.00 0.00 H new ATOM 0 HA CYS A 38 -1.061 -0.045 -3.729 1.00 0.00 H new ATOM 0 HB2 CYS A 38 0.209 -2.818 -3.744 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -0.010 -1.894 -5.216 1.00 0.00 H new ATOM 558 N ASN A 39 -2.599 -2.974 -3.999 1.00 0.00 N ATOM 559 CA ASN A 39 -3.823 -3.593 -4.575 1.00 0.00 C ATOM 560 C ASN A 39 -5.006 -2.633 -4.423 1.00 0.00 C ATOM 561 O ASN A 39 -5.906 -2.606 -5.240 1.00 0.00 O ATOM 562 CB ASN A 39 -4.097 -4.900 -3.838 1.00 0.00 C ATOM 563 CG ASN A 39 -3.655 -6.068 -4.709 1.00 0.00 C ATOM 564 OD1 ASN A 39 -4.106 -6.214 -5.828 1.00 0.00 O ATOM 565 ND2 ASN A 39 -2.788 -6.915 -4.240 1.00 0.00 N ATOM 0 H ASN A 39 -1.979 -3.621 -3.511 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.681 -3.797 -5.636 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.561 -4.915 -2.889 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.159 -4.985 -3.606 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -2.485 -7.704 -4.811 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.410 -6.791 -3.301 1.00 0.00 H new ATOM 572 N ALA A 40 -4.994 -1.818 -3.406 1.00 0.00 N ATOM 573 CA ALA A 40 -6.095 -0.835 -3.239 1.00 0.00 C ATOM 574 C ALA A 40 -5.885 0.273 -4.277 1.00 0.00 C ATOM 575 O ALA A 40 -6.764 0.595 -5.051 1.00 0.00 O ATOM 576 CB ALA A 40 -6.042 -0.251 -1.824 1.00 0.00 C ATOM 0 H ALA A 40 -4.271 -1.791 -2.687 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.067 -1.306 -3.382 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.849 0.471 -1.698 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.156 -1.053 -1.095 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.084 0.245 -1.671 1.00 0.00 H new ATOM 582 N VAL A 41 -4.707 0.837 -4.306 1.00 0.00 N ATOM 583 CA VAL A 41 -4.395 1.907 -5.301 1.00 0.00 C ATOM 584 C VAL A 41 -4.748 1.421 -6.712 1.00 0.00 C ATOM 585 O VAL A 41 -5.472 2.063 -7.442 1.00 0.00 O ATOM 586 CB VAL A 41 -2.894 2.209 -5.248 1.00 0.00 C ATOM 587 CG1 VAL A 41 -2.540 3.294 -6.267 1.00 0.00 C ATOM 588 CG2 VAL A 41 -2.518 2.676 -3.841 1.00 0.00 C ATOM 0 H VAL A 41 -3.940 0.600 -3.677 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.973 2.801 -5.066 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.337 1.304 -5.491 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.471 3.501 -6.221 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.801 2.952 -7.268 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.096 4.203 -6.038 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.450 2.891 -3.802 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.079 3.578 -3.595 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.757 1.893 -3.122 1.00 0.00 H new ATOM 598 N VAL A 42 -4.212 0.299 -7.102 1.00 0.00 N ATOM 599 CA VAL A 42 -4.471 -0.248 -8.463 1.00 0.00 C ATOM 600 C VAL A 42 -5.960 -0.554 -8.663 1.00 0.00 C ATOM 601 O VAL A 42 -6.452 -0.550 -9.773 1.00 0.00 O ATOM 602 CB VAL A 42 -3.661 -1.537 -8.624 1.00 0.00 C ATOM 603 CG1 VAL A 42 -2.211 -1.281 -8.218 1.00 0.00 C ATOM 604 CG2 VAL A 42 -4.236 -2.624 -7.723 1.00 0.00 C ATOM 0 H VAL A 42 -3.595 -0.272 -6.525 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.177 0.492 -9.207 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.708 -1.858 -9.665 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.634 -2.198 -8.332 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.787 -0.504 -8.854 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.176 -0.958 -7.178 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.656 -3.539 -7.841 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.190 -2.297 -6.684 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.273 -2.814 -7.998 1.00 0.00 H new ATOM 614 N GLU A 43 -6.681 -0.827 -7.610 1.00 0.00 N ATOM 615 CA GLU A 43 -8.126 -1.141 -7.765 1.00 0.00 C ATOM 616 C GLU A 43 -8.947 0.140 -7.660 1.00 0.00 C ATOM 617 O GLU A 43 -10.144 0.141 -7.869 1.00 0.00 O ATOM 618 CB GLU A 43 -8.550 -2.115 -6.667 1.00 0.00 C ATOM 619 CG GLU A 43 -9.582 -3.086 -7.229 1.00 0.00 C ATOM 620 CD GLU A 43 -9.662 -4.323 -6.334 1.00 0.00 C ATOM 621 OE1 GLU A 43 -10.354 -4.261 -5.331 1.00 0.00 O ATOM 622 OE2 GLU A 43 -9.029 -5.312 -6.666 1.00 0.00 O ATOM 0 H GLU A 43 -6.331 -0.846 -6.652 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.297 -1.594 -8.742 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.684 -2.662 -6.295 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.969 -1.569 -5.822 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.557 -2.603 -7.287 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.309 -3.376 -8.244 1.00 0.00 H new ATOM 629 N SER A 44 -8.319 1.235 -7.335 1.00 0.00 N ATOM 630 CA SER A 44 -9.078 2.507 -7.217 1.00 0.00 C ATOM 631 C SER A 44 -8.648 3.465 -8.331 1.00 0.00 C ATOM 632 O SER A 44 -8.860 4.659 -8.254 1.00 0.00 O ATOM 633 CB SER A 44 -8.797 3.145 -5.856 1.00 0.00 C ATOM 634 OG SER A 44 -7.742 4.088 -5.989 1.00 0.00 O ATOM 0 H SER A 44 -7.319 1.303 -7.147 1.00 0.00 H new ATOM 0 HA SER A 44 -10.145 2.303 -7.308 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.694 3.636 -5.479 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.525 2.378 -5.131 1.00 0.00 H new ATOM 0 HG SER A 44 -7.942 4.881 -5.449 1.00 0.00 H new ATOM 640 N ASN A 45 -8.036 2.948 -9.360 1.00 0.00 N ATOM 641 CA ASN A 45 -7.573 3.817 -10.479 1.00 0.00 C ATOM 642 C ASN A 45 -6.297 4.558 -10.052 1.00 0.00 C ATOM 643 O ASN A 45 -5.705 5.295 -10.815 1.00 0.00 O ATOM 644 CB ASN A 45 -8.704 4.791 -10.883 1.00 0.00 C ATOM 645 CG ASN A 45 -8.386 6.227 -10.454 1.00 0.00 C ATOM 646 OD1 ASN A 45 -7.872 6.449 -9.380 1.00 0.00 O ATOM 647 ND2 ASN A 45 -8.679 7.216 -11.254 1.00 0.00 N ATOM 0 H ASN A 45 -7.835 1.955 -9.475 1.00 0.00 H new ATOM 0 HA ASN A 45 -7.332 3.213 -11.354 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -8.848 4.756 -11.963 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -9.641 4.472 -10.426 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -8.475 8.176 -10.975 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -9.112 7.029 -12.159 1.00 0.00 H new ATOM 654 N GLY A 46 -5.869 4.346 -8.841 1.00 0.00 N ATOM 655 CA GLY A 46 -4.629 5.001 -8.337 1.00 0.00 C ATOM 656 C GLY A 46 -4.938 6.390 -7.778 1.00 0.00 C ATOM 657 O GLY A 46 -4.053 7.199 -7.580 1.00 0.00 O ATOM 0 H GLY A 46 -6.333 3.737 -8.167 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.176 4.384 -7.561 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.901 5.083 -9.144 1.00 0.00 H new ATOM 661 N THR A 47 -6.178 6.667 -7.493 1.00 0.00 N ATOM 662 CA THR A 47 -6.526 7.997 -6.912 1.00 0.00 C ATOM 663 C THR A 47 -6.379 7.916 -5.397 1.00 0.00 C ATOM 664 O THR A 47 -6.429 8.907 -4.694 1.00 0.00 O ATOM 665 CB THR A 47 -7.967 8.349 -7.257 1.00 0.00 C ATOM 666 OG1 THR A 47 -8.779 7.187 -7.148 1.00 0.00 O ATOM 667 CG2 THR A 47 -8.015 8.877 -8.681 1.00 0.00 C ATOM 0 H THR A 47 -6.965 6.034 -7.636 1.00 0.00 H new ATOM 0 HA THR A 47 -5.864 8.762 -7.318 1.00 0.00 H new ATOM 0 HB THR A 47 -8.339 9.109 -6.570 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.751 6.688 -7.991 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.043 9.133 -8.940 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.389 9.766 -8.761 1.00 0.00 H new ATOM 0 HG23 THR A 47 -7.648 8.112 -9.365 1.00 0.00 H new ATOM 675 N LEU A 48 -6.206 6.729 -4.897 1.00 0.00 N ATOM 676 CA LEU A 48 -6.061 6.527 -3.442 1.00 0.00 C ATOM 677 C LEU A 48 -4.642 6.900 -3.015 1.00 0.00 C ATOM 678 O LEU A 48 -3.687 6.720 -3.745 1.00 0.00 O ATOM 679 CB LEU A 48 -6.329 5.041 -3.152 1.00 0.00 C ATOM 680 CG LEU A 48 -5.592 4.572 -1.893 1.00 0.00 C ATOM 681 CD1 LEU A 48 -6.454 4.866 -0.673 1.00 0.00 C ATOM 682 CD2 LEU A 48 -5.328 3.069 -1.994 1.00 0.00 C ATOM 0 H LEU A 48 -6.159 5.874 -5.452 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.762 7.152 -2.889 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.400 4.881 -3.029 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.013 4.440 -4.005 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.642 5.098 -1.799 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.936 4.535 0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.642 5.938 -0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.402 4.336 -0.761 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.804 2.731 -1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.276 2.538 -2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.716 2.865 -2.873 1.00 0.00 H new ATOM 694 N THR A 49 -4.505 7.385 -1.817 1.00 0.00 N ATOM 695 CA THR A 49 -3.166 7.739 -1.294 1.00 0.00 C ATOM 696 C THR A 49 -3.089 7.262 0.148 1.00 0.00 C ATOM 697 O THR A 49 -4.075 6.904 0.740 1.00 0.00 O ATOM 698 CB THR A 49 -2.971 9.252 -1.330 1.00 0.00 C ATOM 699 OG1 THR A 49 -3.452 9.821 -0.120 1.00 0.00 O ATOM 700 CG2 THR A 49 -3.733 9.837 -2.509 1.00 0.00 C ATOM 0 H THR A 49 -5.276 7.553 -1.171 1.00 0.00 H new ATOM 0 HA THR A 49 -2.392 7.271 -1.903 1.00 0.00 H new ATOM 0 HB THR A 49 -1.910 9.478 -1.440 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.345 10.197 -0.268 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.592 10.918 -2.533 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.359 9.402 -3.436 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.794 9.611 -2.404 1.00 0.00 H new ATOM 708 N LEU A 50 -1.932 7.242 0.711 1.00 0.00 N ATOM 709 CA LEU A 50 -1.803 6.782 2.114 1.00 0.00 C ATOM 710 C LEU A 50 -1.469 7.982 3.012 1.00 0.00 C ATOM 711 O LEU A 50 -1.185 9.060 2.531 1.00 0.00 O ATOM 712 CB LEU A 50 -0.734 5.683 2.143 1.00 0.00 C ATOM 713 CG LEU A 50 0.339 5.926 3.200 1.00 0.00 C ATOM 714 CD1 LEU A 50 1.104 4.630 3.366 1.00 0.00 C ATOM 715 CD2 LEU A 50 1.291 7.032 2.737 1.00 0.00 C ATOM 0 H LEU A 50 -1.060 7.525 0.263 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.732 6.361 2.499 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.213 4.722 2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.262 5.616 1.163 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.112 6.238 4.142 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.884 4.761 4.116 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.421 3.843 3.686 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.558 4.351 2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.053 7.198 3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.769 6.734 1.804 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.729 7.953 2.579 1.00 0.00 H new ATOM 727 N SER A 51 -1.505 7.815 4.310 1.00 0.00 N ATOM 728 CA SER A 51 -1.195 8.957 5.207 1.00 0.00 C ATOM 729 C SER A 51 0.159 8.696 5.844 1.00 0.00 C ATOM 730 O SER A 51 0.936 9.597 6.089 1.00 0.00 O ATOM 731 CB SER A 51 -2.233 9.064 6.333 1.00 0.00 C ATOM 732 OG SER A 51 -2.559 10.431 6.548 1.00 0.00 O ATOM 0 H SER A 51 -1.735 6.940 4.781 1.00 0.00 H new ATOM 0 HA SER A 51 -1.202 9.879 4.626 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.129 8.502 6.071 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.838 8.625 7.249 1.00 0.00 H new ATOM 0 HG SER A 51 -3.223 10.500 7.266 1.00 0.00 H new ATOM 738 N HIS A 52 0.430 7.457 6.129 1.00 0.00 N ATOM 739 CA HIS A 52 1.715 7.103 6.773 1.00 0.00 C ATOM 740 C HIS A 52 1.911 5.589 6.722 1.00 0.00 C ATOM 741 O HIS A 52 0.988 4.836 6.485 1.00 0.00 O ATOM 742 CB HIS A 52 1.659 7.535 8.232 1.00 0.00 C ATOM 743 CG HIS A 52 0.557 6.769 8.909 1.00 0.00 C ATOM 744 ND1 HIS A 52 0.725 6.176 10.149 1.00 0.00 N ATOM 745 CD2 HIS A 52 -0.725 6.460 8.516 1.00 0.00 C ATOM 746 CE1 HIS A 52 -0.422 5.546 10.455 1.00 0.00 C ATOM 747 NE2 HIS A 52 -1.340 5.691 9.498 1.00 0.00 N ATOM 0 H HIS A 52 -0.190 6.670 5.941 1.00 0.00 H new ATOM 0 HA HIS A 52 2.536 7.598 6.255 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.613 7.341 8.722 1.00 0.00 H new ATOM 0 HB3 HIS A 52 1.476 8.607 8.304 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.183 6.767 7.588 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.581 4.989 11.366 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -2.289 5.318 9.489 1.00 0.00 H new ATOM 755 N PHE A 53 3.107 5.144 6.963 1.00 0.00 N ATOM 756 CA PHE A 53 3.380 3.680 6.954 1.00 0.00 C ATOM 757 C PHE A 53 2.764 3.042 8.204 1.00 0.00 C ATOM 758 O PHE A 53 1.968 3.647 8.894 1.00 0.00 O ATOM 759 CB PHE A 53 4.894 3.447 6.949 1.00 0.00 C ATOM 760 CG PHE A 53 5.439 3.717 5.569 1.00 0.00 C ATOM 761 CD1 PHE A 53 5.272 4.977 4.984 1.00 0.00 C ATOM 762 CD2 PHE A 53 6.113 2.706 4.875 1.00 0.00 C ATOM 763 CE1 PHE A 53 5.779 5.227 3.706 1.00 0.00 C ATOM 764 CE2 PHE A 53 6.622 2.956 3.596 1.00 0.00 C ATOM 765 CZ PHE A 53 6.456 4.217 3.011 1.00 0.00 C ATOM 0 H PHE A 53 3.914 5.733 7.167 1.00 0.00 H new ATOM 0 HA PHE A 53 2.942 3.229 6.064 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.376 4.100 7.676 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.116 2.422 7.245 1.00 0.00 H new ATOM 0 HD1 PHE A 53 4.751 5.756 5.520 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.240 1.733 5.326 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.649 6.199 3.254 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.143 2.176 3.060 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.850 4.411 2.024 1.00 0.00 H new ATOM 775 N GLY A 54 3.120 1.819 8.494 1.00 0.00 N ATOM 776 CA GLY A 54 2.557 1.128 9.687 1.00 0.00 C ATOM 777 C GLY A 54 1.029 1.102 9.606 1.00 0.00 C ATOM 778 O GLY A 54 0.439 1.403 8.587 1.00 0.00 O ATOM 0 H GLY A 54 3.782 1.266 7.950 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.943 0.110 9.744 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.872 1.640 10.596 1.00 0.00 H new ATOM 782 N LYS A 55 0.393 0.762 10.688 1.00 0.00 N ATOM 783 CA LYS A 55 -1.067 0.720 10.734 1.00 0.00 C ATOM 784 C LYS A 55 -1.567 2.121 11.060 1.00 0.00 C ATOM 785 O LYS A 55 -0.821 2.972 11.491 1.00 0.00 O ATOM 786 CB LYS A 55 -1.430 -0.296 11.822 1.00 0.00 C ATOM 787 CG LYS A 55 -2.699 0.068 12.568 1.00 0.00 C ATOM 788 CD LYS A 55 -3.900 -0.620 11.921 1.00 0.00 C ATOM 789 CE LYS A 55 -5.182 -0.185 12.630 1.00 0.00 C ATOM 790 NZ LYS A 55 -5.733 -1.331 13.405 1.00 0.00 N ATOM 0 H LYS A 55 0.851 0.506 11.563 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.525 0.419 9.792 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.551 -1.280 11.368 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.606 -0.371 12.532 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.616 -0.233 13.612 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.839 1.149 12.558 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.952 -0.364 10.863 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.788 -1.703 11.982 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.976 0.653 13.296 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.915 0.161 11.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.606 -1.036 13.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.944 -2.118 12.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.035 -1.641 14.111 1.00 0.00 H new ATOM 804 N CYS A 56 -2.823 2.355 10.861 1.00 0.00 N ATOM 805 CA CYS A 56 -3.392 3.700 11.155 1.00 0.00 C ATOM 806 C CYS A 56 -3.894 3.740 12.601 1.00 0.00 C ATOM 807 O CYS A 56 -3.643 4.731 13.267 1.00 0.00 O ATOM 808 CB CYS A 56 -4.554 3.982 10.202 1.00 0.00 C ATOM 809 SG CYS A 56 -4.256 5.549 9.347 1.00 0.00 S ATOM 810 OXT CYS A 56 -4.523 2.781 13.016 1.00 0.00 O ATOM 0 H CYS A 56 -3.491 1.672 10.505 1.00 0.00 H new ATOM 0 HA CYS A 56 -2.620 4.457 11.020 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.652 3.172 9.479 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.491 4.029 10.756 1.00 0.00 H new TER 815 CYS A 56