USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 337 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 17 THR OG1 : rot 180:sc= 0.368 USER MOD Set 1.2: A 33 ASN : amide:sc= 0.345 K(o=0.71,f=-4.3!) USER MOD Single : A 1 LEU N :NH3+ -112:sc= 0.113 (180deg=-0.723) 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 143:sc= -2.82! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -1! C(o=-1!,f=-2!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 130:sc= -0.382 USER MOD Single : A 31 TYR OH : rot 165:sc= -0.991 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.0356 X(o=-0.036,f=0) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0.095) USER MOD Single : A 44 SER OG : rot -107:sc= -0.116 USER MOD Single : A 45 ASN : amide:sc= -0.167 K(o=-0.17,f=-1.5!) USER MOD Single : A 47 THR OG1 : rot -116:sc= 0.441 USER MOD Single : A 49 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HE2:sc= 0.201 K(o=0.2,f=-2.1!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -15.607 4.826 -2.401 1.00 0.00 N ATOM 2 CA LEU A 1 -14.849 6.028 -2.100 1.00 0.00 C ATOM 3 C LEU A 1 -13.567 5.645 -1.358 1.00 0.00 C ATOM 4 O LEU A 1 -13.347 4.473 -1.055 1.00 0.00 O ATOM 5 CB LEU A 1 -15.719 7.036 -1.344 1.00 0.00 C ATOM 6 CG LEU A 1 -16.452 8.066 -2.205 1.00 0.00 C ATOM 7 CD1 LEU A 1 -15.462 8.974 -2.937 1.00 0.00 C ATOM 8 CD2 LEU A 1 -17.424 7.383 -3.169 1.00 0.00 C ATOM 0 H1 LEU A 1 -15.611 4.666 -3.429 1.00 0.00 H new ATOM 0 H2 LEU A 1 -15.169 4.011 -1.925 1.00 0.00 H new ATOM 0 H3 LEU A 1 -16.585 4.939 -2.065 1.00 0.00 H new ATOM 0 HA LEU A 1 -14.548 6.528 -3.020 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -16.459 6.484 -0.763 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -15.088 7.569 -0.633 1.00 0.00 H new ATOM 0 HG LEU A 1 -17.045 8.701 -1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -16.010 9.697 -3.542 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -14.846 9.502 -2.209 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -14.824 8.371 -3.582 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -17.932 8.138 -3.769 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -16.873 6.709 -3.825 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -18.161 6.815 -2.601 1.00 0.00 H new ATOM 19 N ALA A 2 -12.753 6.655 -1.086 1.00 0.00 N ATOM 20 CA ALA A 2 -11.500 6.438 -0.385 1.00 0.00 C ATOM 21 C ALA A 2 -11.692 6.744 1.102 1.00 0.00 C ATOM 22 O ALA A 2 -11.343 7.828 1.566 1.00 0.00 O ATOM 23 CB ALA A 2 -10.404 7.297 -1.020 1.00 0.00 C ATOM 0 H ALA A 2 -12.938 7.626 -1.339 1.00 0.00 H new ATOM 0 HA ALA A 2 -11.189 5.397 -0.470 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -9.463 7.134 -0.494 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -10.286 7.020 -2.068 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -10.681 8.349 -0.951 1.00 0.00 H new ATOM 29 N ALA A 3 -12.246 5.769 1.807 1.00 0.00 N ATOM 30 CA ALA A 3 -12.489 5.920 3.232 1.00 0.00 C ATOM 31 C ALA A 3 -11.842 4.754 3.982 1.00 0.00 C ATOM 32 O ALA A 3 -12.476 4.130 4.831 1.00 0.00 O ATOM 33 CB ALA A 3 -13.995 6.014 3.486 1.00 0.00 C ATOM 0 H ALA A 3 -12.534 4.871 1.418 1.00 0.00 H new ATOM 0 HA ALA A 3 -12.038 6.840 3.603 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -14.177 6.127 4.555 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -14.400 6.876 2.955 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -14.482 5.106 3.129 1.00 0.00 H new ATOM 39 N VAL A 4 -10.589 4.495 3.641 1.00 0.00 N ATOM 40 CA VAL A 4 -9.850 3.414 4.271 1.00 0.00 C ATOM 41 C VAL A 4 -8.350 3.644 4.071 1.00 0.00 C ATOM 42 O VAL A 4 -7.948 4.570 3.369 1.00 0.00 O ATOM 43 CB VAL A 4 -10.327 2.066 3.726 1.00 0.00 C ATOM 44 CG1 VAL A 4 -9.839 1.851 2.291 1.00 0.00 C ATOM 45 CG2 VAL A 4 -9.881 0.919 4.635 1.00 0.00 C ATOM 0 H VAL A 4 -10.066 5.015 2.936 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.036 3.399 5.345 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.417 2.077 3.711 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -10.192 0.886 1.928 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -10.228 2.644 1.652 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -8.749 1.870 2.271 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -10.233 -0.028 4.225 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -8.793 0.906 4.697 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -10.299 1.061 5.632 1.00 0.00 H new ATOM 55 N SER A 5 -7.564 2.783 4.700 1.00 0.00 N ATOM 56 CA SER A 5 -6.117 2.880 4.600 1.00 0.00 C ATOM 57 C SER A 5 -5.460 1.765 5.417 1.00 0.00 C ATOM 58 O SER A 5 -6.018 1.311 6.414 1.00 0.00 O ATOM 59 CB SER A 5 -5.623 4.248 5.076 1.00 0.00 C ATOM 60 OG SER A 5 -5.393 4.274 6.481 1.00 0.00 O ATOM 0 H SER A 5 -7.901 2.015 5.281 1.00 0.00 H new ATOM 0 HA SER A 5 -5.838 2.767 3.552 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.701 4.502 4.553 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.358 5.010 4.815 1.00 0.00 H new ATOM 0 HG SER A 5 -5.077 5.164 6.744 1.00 0.00 H new ATOM 65 N VAL A 6 -4.284 1.357 4.964 1.00 0.00 N ATOM 66 CA VAL A 6 -3.545 0.305 5.640 1.00 0.00 C ATOM 67 C VAL A 6 -2.559 0.933 6.628 1.00 0.00 C ATOM 68 O VAL A 6 -2.174 2.091 6.475 1.00 0.00 O ATOM 69 CB VAL A 6 -2.865 -0.601 4.611 1.00 0.00 C ATOM 70 CG1 VAL A 6 -3.890 -1.488 3.900 1.00 0.00 C ATOM 71 CG2 VAL A 6 -2.059 0.221 3.604 1.00 0.00 C ATOM 0 H VAL A 6 -3.824 1.736 4.136 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.221 -0.328 6.214 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.171 -1.251 5.144 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.381 -2.122 3.174 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -4.401 -2.113 4.633 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.619 -0.861 3.386 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.586 -0.447 2.884 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.724 0.907 3.080 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.292 0.790 4.130 1.00 0.00 H new ATOM 81 N ASP A 7 -2.180 0.141 7.619 1.00 0.00 N ATOM 82 CA ASP A 7 -1.246 0.605 8.632 1.00 0.00 C ATOM 83 C ASP A 7 0.185 0.404 8.130 1.00 0.00 C ATOM 84 O ASP A 7 0.612 -0.725 7.893 1.00 0.00 O ATOM 85 CB ASP A 7 -1.406 -0.185 9.932 1.00 0.00 C ATOM 86 CG ASP A 7 -0.594 0.345 11.115 1.00 0.00 C ATOM 87 OD1 ASP A 7 0.076 1.384 11.015 1.00 0.00 O ATOM 88 OD2 ASP A 7 -0.670 -0.364 12.190 1.00 0.00 O ATOM 0 H ASP A 7 -2.502 -0.819 7.743 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.451 1.658 8.823 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -2.460 -0.191 10.208 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.119 -1.220 9.748 1.00 0.00 H new ATOM 93 N CYS A 8 0.888 1.518 7.982 1.00 0.00 N ATOM 94 CA CYS A 8 2.263 1.478 7.512 1.00 0.00 C ATOM 95 C CYS A 8 3.157 2.093 8.591 1.00 0.00 C ATOM 96 O CYS A 8 4.376 2.139 8.440 1.00 0.00 O ATOM 97 CB CYS A 8 2.421 2.189 6.167 1.00 0.00 C ATOM 98 SG CYS A 8 1.243 1.655 4.873 1.00 0.00 S ATOM 0 H CYS A 8 0.531 2.453 8.179 1.00 0.00 H new ATOM 0 HA CYS A 8 2.562 0.444 7.340 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.305 3.262 6.323 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.436 2.027 5.804 1.00 0.00 H new ATOM 102 N SER A 9 2.515 2.549 9.657 1.00 0.00 N ATOM 103 CA SER A 9 3.237 3.159 10.761 1.00 0.00 C ATOM 104 C SER A 9 3.999 2.087 11.543 1.00 0.00 C ATOM 105 O SER A 9 3.759 1.895 12.734 1.00 0.00 O ATOM 106 CB SER A 9 2.287 3.918 11.688 1.00 0.00 C ATOM 107 OG SER A 9 2.974 4.869 12.495 1.00 0.00 O ATOM 0 H SER A 9 1.503 2.508 9.780 1.00 0.00 H new ATOM 0 HA SER A 9 3.949 3.875 10.350 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.530 4.428 11.092 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.764 3.209 12.330 1.00 0.00 H new ATOM 0 HG SER A 9 2.332 5.333 13.072 1.00 0.00 H new ATOM 112 N GLU A 10 4.902 1.417 10.841 1.00 0.00 N ATOM 113 CA GLU A 10 5.701 0.370 11.455 1.00 0.00 C ATOM 114 C GLU A 10 6.896 0.023 10.565 1.00 0.00 C ATOM 115 O GLU A 10 7.998 -0.200 11.062 1.00 0.00 O ATOM 116 CB GLU A 10 4.851 -0.871 11.741 1.00 0.00 C ATOM 117 CG GLU A 10 4.613 -1.678 10.463 1.00 0.00 C ATOM 118 CD GLU A 10 3.734 -0.902 9.480 1.00 0.00 C ATOM 119 OE1 GLU A 10 4.254 -0.252 8.562 1.00 0.00 O ATOM 120 OE2 GLU A 10 2.465 -0.991 9.697 1.00 0.00 O ATOM 0 H GLU A 10 5.098 1.579 9.853 1.00 0.00 H new ATOM 0 HA GLU A 10 6.079 0.739 12.408 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.350 -1.495 12.482 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.895 -0.571 12.169 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.568 -1.914 9.994 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.137 -2.627 10.711 1.00 0.00 H new ATOM 126 N TYR A 11 6.636 -0.009 9.267 1.00 0.00 N ATOM 127 CA TYR A 11 7.677 -0.324 8.303 1.00 0.00 C ATOM 128 C TYR A 11 9.012 0.301 8.714 1.00 0.00 C ATOM 129 O TYR A 11 9.042 1.248 9.498 1.00 0.00 O ATOM 130 CB TYR A 11 7.225 0.291 6.978 1.00 0.00 C ATOM 131 CG TYR A 11 6.895 -0.737 5.894 1.00 0.00 C ATOM 132 CD1 TYR A 11 5.718 -1.455 5.960 1.00 0.00 C ATOM 133 CD2 TYR A 11 7.775 -0.949 4.851 1.00 0.00 C ATOM 134 CE1 TYR A 11 5.408 -2.423 4.940 1.00 0.00 C ATOM 135 CE2 TYR A 11 7.465 -1.916 3.832 1.00 0.00 C ATOM 136 CZ TYR A 11 6.296 -2.606 3.927 1.00 0.00 C ATOM 137 OH TYR A 11 6.002 -3.521 2.964 1.00 0.00 O ATOM 0 H TYR A 11 5.720 0.178 8.860 1.00 0.00 H new ATOM 0 HA TYR A 11 7.823 -1.402 8.234 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.345 0.909 7.158 1.00 0.00 H new ATOM 0 HB3 TYR A 11 8.009 0.952 6.610 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.030 -1.291 6.776 1.00 0.00 H new ATOM 0 HD2 TYR A 11 8.697 -0.388 4.800 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.490 -2.991 4.979 1.00 0.00 H new ATOM 0 HE2 TYR A 11 8.144 -2.090 3.011 1.00 0.00 H new ATOM 0 HH TYR A 11 6.308 -3.190 2.094 1.00 0.00 H new ATOM 146 N PRO A 12 10.111 -0.269 8.150 1.00 0.00 N ATOM 147 CA PRO A 12 9.986 -1.387 7.231 1.00 0.00 C ATOM 148 C PRO A 12 9.658 -2.679 7.981 1.00 0.00 C ATOM 149 O PRO A 12 10.115 -2.882 9.106 1.00 0.00 O ATOM 150 CB PRO A 12 11.317 -1.447 6.500 1.00 0.00 C ATOM 151 CG PRO A 12 12.298 -0.662 7.357 1.00 0.00 C ATOM 152 CD PRO A 12 11.496 0.135 8.372 1.00 0.00 C ATOM 0 HA PRO A 12 9.165 -1.261 6.526 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.647 -2.478 6.373 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.235 -1.014 5.503 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.989 -1.337 7.862 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.898 0.004 6.737 1.00 0.00 H new ATOM 0 HD2 PRO A 12 11.815 -0.087 9.391 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.624 1.207 8.224 1.00 0.00 H new ATOM 157 N LYS A 13 8.869 -3.521 7.329 1.00 0.00 N ATOM 158 CA LYS A 13 8.474 -4.788 7.921 1.00 0.00 C ATOM 159 C LYS A 13 9.583 -5.819 7.694 1.00 0.00 C ATOM 160 O LYS A 13 10.292 -5.762 6.690 1.00 0.00 O ATOM 161 CB LYS A 13 7.109 -5.226 7.388 1.00 0.00 C ATOM 162 CG LYS A 13 6.151 -5.550 8.537 1.00 0.00 C ATOM 163 CD LYS A 13 4.697 -5.527 8.060 1.00 0.00 C ATOM 164 CE LYS A 13 3.743 -5.251 9.224 1.00 0.00 C ATOM 165 NZ LYS A 13 3.124 -6.511 9.697 1.00 0.00 N ATOM 0 H LYS A 13 8.493 -3.350 6.396 1.00 0.00 H new ATOM 0 HA LYS A 13 8.350 -4.683 8.999 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.686 -4.435 6.768 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.227 -6.102 6.750 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.388 -6.532 8.947 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.285 -4.828 9.342 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.574 -4.761 7.294 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.447 -6.482 7.598 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.285 -4.776 10.042 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.967 -4.554 8.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.479 -6.306 10.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.590 -6.949 8.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.867 -7.164 10.017 1.00 0.00 H new ATOM 175 N ASP A 14 9.697 -6.736 8.643 1.00 0.00 N ATOM 176 CA ASP A 14 10.706 -7.777 8.560 1.00 0.00 C ATOM 177 C ASP A 14 10.835 -8.242 7.107 1.00 0.00 C ATOM 178 O ASP A 14 11.904 -8.132 6.509 1.00 0.00 O ATOM 179 CB ASP A 14 10.320 -8.989 9.411 1.00 0.00 C ATOM 180 CG ASP A 14 11.489 -9.689 10.107 1.00 0.00 C ATOM 181 OD1 ASP A 14 12.432 -9.038 10.581 1.00 0.00 O ATOM 182 OD2 ASP A 14 11.404 -10.975 10.154 1.00 0.00 O ATOM 0 H ASP A 14 9.107 -6.779 9.474 1.00 0.00 H new ATOM 0 HA ASP A 14 11.646 -7.364 8.926 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.605 -8.669 10.169 1.00 0.00 H new ATOM 0 HB3 ASP A 14 9.809 -9.712 8.776 1.00 0.00 H new ATOM 187 N ALA A 15 9.730 -8.751 6.582 1.00 0.00 N ATOM 188 CA ALA A 15 9.706 -9.232 5.211 1.00 0.00 C ATOM 189 C ALA A 15 8.347 -8.910 4.586 1.00 0.00 C ATOM 190 O ALA A 15 7.499 -8.287 5.224 1.00 0.00 O ATOM 191 CB ALA A 15 10.017 -10.731 5.190 1.00 0.00 C ATOM 0 H ALA A 15 8.845 -8.841 7.081 1.00 0.00 H new ATOM 0 HA ALA A 15 10.470 -8.732 4.615 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.999 -11.092 4.162 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.004 -10.904 5.618 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.269 -11.266 5.775 1.00 0.00 H new ATOM 197 N CYS A 16 8.182 -9.349 3.347 1.00 0.00 N ATOM 198 CA CYS A 16 6.942 -9.115 2.629 1.00 0.00 C ATOM 199 C CYS A 16 6.199 -10.447 2.507 1.00 0.00 C ATOM 200 O CYS A 16 6.777 -11.508 2.740 1.00 0.00 O ATOM 201 CB CYS A 16 7.190 -8.473 1.264 1.00 0.00 C ATOM 202 SG CYS A 16 5.688 -7.858 0.419 1.00 0.00 S ATOM 0 H CYS A 16 8.887 -9.866 2.822 1.00 0.00 H new ATOM 0 HA CYS A 16 6.327 -8.406 3.183 1.00 0.00 H new ATOM 0 HB2 CYS A 16 7.884 -7.642 1.390 1.00 0.00 H new ATOM 0 HB3 CYS A 16 7.679 -9.203 0.619 1.00 0.00 H new ATOM 206 N THR A 17 4.930 -10.349 2.140 1.00 0.00 N ATOM 207 CA THR A 17 4.102 -11.534 1.983 1.00 0.00 C ATOM 208 C THR A 17 4.000 -11.921 0.507 1.00 0.00 C ATOM 209 O THR A 17 4.370 -11.143 -0.370 1.00 0.00 O ATOM 210 CB THR A 17 2.746 -11.251 2.633 1.00 0.00 C ATOM 211 OG1 THR A 17 2.221 -10.161 1.881 1.00 0.00 O ATOM 212 CG2 THR A 17 2.879 -10.696 4.052 1.00 0.00 C ATOM 0 H THR A 17 4.454 -9.468 1.947 1.00 0.00 H new ATOM 0 HA THR A 17 4.545 -12.396 2.482 1.00 0.00 H new ATOM 0 HB THR A 17 2.158 -12.168 2.657 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.341 -9.913 2.235 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.887 -10.513 4.466 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.406 -11.417 4.677 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.439 -9.761 4.026 1.00 0.00 H new ATOM 220 N LEU A 18 3.497 -13.126 0.278 1.00 0.00 N ATOM 221 CA LEU A 18 3.342 -13.626 -1.077 1.00 0.00 C ATOM 222 C LEU A 18 1.975 -13.206 -1.619 1.00 0.00 C ATOM 223 O LEU A 18 1.786 -13.108 -2.830 1.00 0.00 O ATOM 224 CB LEU A 18 3.581 -15.138 -1.120 1.00 0.00 C ATOM 225 CG LEU A 18 4.982 -15.607 -0.722 1.00 0.00 C ATOM 226 CD1 LEU A 18 5.034 -15.981 0.761 1.00 0.00 C ATOM 227 CD2 LEU A 18 5.453 -16.752 -1.621 1.00 0.00 C ATOM 0 H LEU A 18 3.192 -13.770 1.008 1.00 0.00 H new ATOM 0 HA LEU A 18 4.094 -13.187 -1.733 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.858 -15.619 -0.462 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.375 -15.490 -2.131 1.00 0.00 H new ATOM 0 HG LEU A 18 5.675 -14.778 -0.869 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.041 -16.311 1.018 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.772 -15.112 1.365 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.327 -16.787 0.958 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.451 -17.066 -1.317 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.765 -17.592 -1.531 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.479 -16.414 -2.657 1.00 0.00 H new ATOM 238 N GLU A 19 1.056 -12.966 -0.695 1.00 0.00 N ATOM 239 CA GLU A 19 -0.289 -12.556 -1.064 1.00 0.00 C ATOM 240 C GLU A 19 -0.237 -11.362 -2.019 1.00 0.00 C ATOM 241 O GLU A 19 0.444 -10.373 -1.746 1.00 0.00 O ATOM 242 CB GLU A 19 -1.123 -12.230 0.176 1.00 0.00 C ATOM 243 CG GLU A 19 -2.151 -13.330 0.450 1.00 0.00 C ATOM 244 CD GLU A 19 -1.471 -14.595 0.982 1.00 0.00 C ATOM 245 OE1 GLU A 19 -0.240 -14.720 0.896 1.00 0.00 O ATOM 246 OE2 GLU A 19 -2.269 -15.466 1.499 1.00 0.00 O ATOM 0 H GLU A 19 1.216 -13.048 0.309 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.772 -13.387 -1.578 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.468 -12.116 1.040 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.633 -11.277 0.035 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.885 -12.975 1.174 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.694 -13.562 -0.466 1.00 0.00 H new ATOM 252 N TYR A 20 -0.963 -11.492 -3.119 1.00 0.00 N ATOM 253 CA TYR A 20 -1.008 -10.436 -4.115 1.00 0.00 C ATOM 254 C TYR A 20 -2.285 -9.605 -3.977 1.00 0.00 C ATOM 255 O TYR A 20 -3.390 -10.133 -4.096 1.00 0.00 O ATOM 256 CB TYR A 20 -1.016 -11.139 -5.475 1.00 0.00 C ATOM 257 CG TYR A 20 -0.514 -10.268 -6.629 1.00 0.00 C ATOM 258 CD1 TYR A 20 -0.981 -8.978 -6.773 1.00 0.00 C ATOM 259 CD2 TYR A 20 0.406 -10.774 -7.525 1.00 0.00 C ATOM 260 CE1 TYR A 20 -0.509 -8.159 -7.859 1.00 0.00 C ATOM 261 CE2 TYR A 20 0.878 -9.954 -8.611 1.00 0.00 C ATOM 262 CZ TYR A 20 0.398 -8.687 -8.724 1.00 0.00 C ATOM 263 OH TYR A 20 0.843 -7.913 -9.750 1.00 0.00 O ATOM 0 H TYR A 20 -1.525 -12.313 -3.343 1.00 0.00 H new ATOM 0 HA TYR A 20 -0.160 -9.762 -3.997 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -0.397 -12.034 -5.413 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -2.031 -11.468 -5.697 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -1.700 -8.583 -6.071 1.00 0.00 H new ATOM 0 HD2 TYR A 20 0.772 -11.784 -7.412 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.867 -7.148 -7.984 1.00 0.00 H new ATOM 0 HE2 TYR A 20 1.597 -10.337 -9.320 1.00 0.00 H new ATOM 0 HH TYR A 20 1.488 -8.420 -10.286 1.00 0.00 H new ATOM 272 N ARG A 21 -2.092 -8.319 -3.728 1.00 0.00 N ATOM 273 CA ARG A 21 -3.214 -7.409 -3.572 1.00 0.00 C ATOM 274 C ARG A 21 -2.883 -6.046 -4.184 1.00 0.00 C ATOM 275 O ARG A 21 -2.083 -5.292 -3.632 1.00 0.00 O ATOM 276 CB ARG A 21 -3.572 -7.224 -2.096 1.00 0.00 C ATOM 277 CG ARG A 21 -3.986 -8.553 -1.462 1.00 0.00 C ATOM 278 CD ARG A 21 -5.452 -8.872 -1.765 1.00 0.00 C ATOM 279 NE ARG A 21 -5.587 -10.287 -2.179 1.00 0.00 N ATOM 280 CZ ARG A 21 -6.749 -10.955 -2.204 1.00 0.00 C ATOM 281 NH1 ARG A 21 -7.882 -10.342 -1.839 1.00 0.00 N ATOM 282 NH2 ARG A 21 -6.776 -12.237 -2.593 1.00 0.00 N ATOM 0 H ARG A 21 -1.174 -7.885 -3.630 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.068 -7.845 -4.090 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.717 -6.812 -1.560 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -4.385 -6.504 -2.003 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -3.350 -9.354 -1.840 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.835 -8.508 -0.383 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.064 -8.683 -0.883 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.820 -8.217 -2.555 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.743 -10.785 -2.463 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.861 -9.366 -1.542 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -8.766 -10.851 -1.858 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.913 -12.704 -2.870 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.660 -12.746 -2.612 1.00 0.00 H new ATOM 293 N PRO A 22 -3.532 -5.764 -5.346 1.00 0.00 N ATOM 294 CA PRO A 22 -3.313 -4.506 -6.038 1.00 0.00 C ATOM 295 C PRO A 22 -4.025 -3.357 -5.323 1.00 0.00 C ATOM 296 O PRO A 22 -5.161 -3.506 -4.876 1.00 0.00 O ATOM 297 CB PRO A 22 -3.832 -4.738 -7.448 1.00 0.00 C ATOM 298 CG PRO A 22 -4.740 -5.955 -7.364 1.00 0.00 C ATOM 299 CD PRO A 22 -4.486 -6.634 -6.028 1.00 0.00 C ATOM 0 HA PRO A 22 -2.263 -4.213 -6.056 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.378 -3.868 -7.811 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -3.010 -4.911 -8.143 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.785 -5.658 -7.449 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.536 -6.641 -8.186 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -5.407 -6.738 -5.455 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.081 -7.637 -6.164 1.00 0.00 H new ATOM 304 N LEU A 23 -3.326 -2.235 -5.234 1.00 0.00 N ATOM 305 CA LEU A 23 -3.876 -1.059 -4.580 1.00 0.00 C ATOM 306 C LEU A 23 -3.646 0.167 -5.465 1.00 0.00 C ATOM 307 O LEU A 23 -2.897 0.102 -6.439 1.00 0.00 O ATOM 308 CB LEU A 23 -3.303 -0.914 -3.169 1.00 0.00 C ATOM 309 CG LEU A 23 -2.838 -2.209 -2.498 1.00 0.00 C ATOM 310 CD1 LEU A 23 -1.795 -1.920 -1.416 1.00 0.00 C ATOM 311 CD2 LEU A 23 -4.027 -3.001 -1.950 1.00 0.00 C ATOM 0 H LEU A 23 -2.383 -2.115 -5.604 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.954 -1.163 -4.453 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.459 -0.226 -3.210 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.061 -0.452 -2.536 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.357 -2.832 -3.253 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.481 -2.856 -0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.932 -1.429 -1.865 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.229 -1.269 -0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.668 -3.916 -1.479 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.558 -2.398 -1.214 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.703 -3.254 -2.767 1.00 0.00 H new ATOM 322 N CYS A 24 -4.305 1.256 -5.096 1.00 0.00 N ATOM 323 CA CYS A 24 -4.181 2.495 -5.845 1.00 0.00 C ATOM 324 C CYS A 24 -4.026 3.645 -4.848 1.00 0.00 C ATOM 325 O CYS A 24 -4.962 3.973 -4.121 1.00 0.00 O ATOM 326 CB CYS A 24 -5.372 2.710 -6.783 1.00 0.00 C ATOM 327 SG CYS A 24 -5.377 4.317 -7.660 1.00 0.00 S ATOM 0 H CYS A 24 -4.926 1.306 -4.289 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.301 2.449 -6.486 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -5.384 1.909 -7.522 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -6.292 2.624 -6.205 1.00 0.00 H new ATOM 331 N GLY A 25 -2.835 4.227 -4.847 1.00 0.00 N ATOM 332 CA GLY A 25 -2.544 5.334 -3.951 1.00 0.00 C ATOM 333 C GLY A 25 -3.241 6.614 -4.418 1.00 0.00 C ATOM 334 O GLY A 25 -3.904 6.621 -5.453 1.00 0.00 O ATOM 0 H GLY A 25 -2.061 3.953 -5.452 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.871 5.085 -2.941 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.467 5.497 -3.906 1.00 0.00 H new ATOM 338 N SER A 26 -3.066 7.665 -3.630 1.00 0.00 N ATOM 339 CA SER A 26 -3.670 8.947 -3.948 1.00 0.00 C ATOM 340 C SER A 26 -2.920 9.604 -5.108 1.00 0.00 C ATOM 341 O SER A 26 -3.475 10.447 -5.812 1.00 0.00 O ATOM 342 CB SER A 26 -3.676 9.871 -2.729 1.00 0.00 C ATOM 343 OG SER A 26 -3.963 11.221 -3.083 1.00 0.00 O ATOM 0 H SER A 26 -2.514 7.654 -2.772 1.00 0.00 H new ATOM 0 HA SER A 26 -4.705 8.774 -4.243 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.417 9.519 -2.011 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.706 9.824 -2.234 1.00 0.00 H new ATOM 0 HG SER A 26 -3.959 11.778 -2.277 1.00 0.00 H new ATOM 348 N ASP A 27 -1.672 9.194 -5.273 1.00 0.00 N ATOM 349 CA ASP A 27 -0.841 9.732 -6.336 1.00 0.00 C ATOM 350 C ASP A 27 -1.002 8.871 -7.590 1.00 0.00 C ATOM 351 O ASP A 27 -0.170 8.922 -8.494 1.00 0.00 O ATOM 352 CB ASP A 27 0.638 9.719 -5.941 1.00 0.00 C ATOM 353 CG ASP A 27 0.945 10.314 -4.565 1.00 0.00 C ATOM 354 OD1 ASP A 27 0.277 10.000 -3.569 1.00 0.00 O ATOM 355 OD2 ASP A 27 1.930 11.148 -4.540 1.00 0.00 O ATOM 0 H ASP A 27 -1.215 8.495 -4.688 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.156 10.759 -6.521 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.995 8.689 -5.963 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.204 10.269 -6.693 1.00 0.00 H new ATOM 360 N ASN A 28 -2.080 8.099 -7.604 1.00 0.00 N ATOM 361 CA ASN A 28 -2.361 7.229 -8.733 1.00 0.00 C ATOM 362 C ASN A 28 -1.245 6.190 -8.861 1.00 0.00 C ATOM 363 O ASN A 28 -0.936 5.739 -9.963 1.00 0.00 O ATOM 364 CB ASN A 28 -2.421 8.022 -10.040 1.00 0.00 C ATOM 365 CG ASN A 28 -2.785 7.114 -11.217 1.00 0.00 C ATOM 366 OD1 ASN A 28 -3.364 6.052 -11.058 1.00 0.00 O ATOM 367 ND2 ASN A 28 -2.412 7.588 -12.401 1.00 0.00 N ATOM 0 H ASN A 28 -2.768 8.058 -6.852 1.00 0.00 H new ATOM 0 HA ASN A 28 -3.325 6.751 -8.558 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.157 8.821 -9.951 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.457 8.496 -10.226 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -2.607 7.055 -13.248 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -1.930 8.485 -12.463 1.00 0.00 H new ATOM 373 N LYS A 29 -0.672 5.841 -7.718 1.00 0.00 N ATOM 374 CA LYS A 29 0.403 4.864 -7.689 1.00 0.00 C ATOM 375 C LYS A 29 -0.182 3.475 -7.421 1.00 0.00 C ATOM 376 O LYS A 29 -0.621 3.187 -6.309 1.00 0.00 O ATOM 377 CB LYS A 29 1.479 5.281 -6.684 1.00 0.00 C ATOM 378 CG LYS A 29 2.745 5.753 -7.402 1.00 0.00 C ATOM 379 CD LYS A 29 3.802 4.646 -7.435 1.00 0.00 C ATOM 380 CE LYS A 29 3.773 3.902 -8.772 1.00 0.00 C ATOM 381 NZ LYS A 29 5.070 4.041 -9.470 1.00 0.00 N ATOM 0 H LYS A 29 -0.932 6.217 -6.806 1.00 0.00 H new ATOM 0 HA LYS A 29 0.902 4.819 -8.657 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.098 6.080 -6.048 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.718 4.441 -6.032 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.499 6.056 -8.420 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.148 6.631 -6.897 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.790 5.077 -7.276 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.625 3.944 -6.620 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.555 2.847 -8.603 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.972 4.297 -9.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.033 3.530 -10.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.263 5.047 -9.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.827 3.643 -8.878 1.00 0.00 H new ATOM 391 N THR A 30 -0.169 2.653 -8.460 1.00 0.00 N ATOM 392 CA THR A 30 -0.694 1.303 -8.351 1.00 0.00 C ATOM 393 C THR A 30 0.372 0.360 -7.789 1.00 0.00 C ATOM 394 O THR A 30 1.475 0.275 -8.325 1.00 0.00 O ATOM 395 CB THR A 30 -1.209 0.882 -9.729 1.00 0.00 C ATOM 396 OG1 THR A 30 -2.397 1.652 -9.905 1.00 0.00 O ATOM 397 CG2 THR A 30 -1.697 -0.567 -9.756 1.00 0.00 C ATOM 0 H THR A 30 0.197 2.896 -9.381 1.00 0.00 H new ATOM 0 HA THR A 30 -1.527 1.259 -7.649 1.00 0.00 H new ATOM 0 HB THR A 30 -0.417 1.011 -10.467 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.371 2.098 -10.777 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.051 -0.813 -10.757 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.876 -1.232 -9.488 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.512 -0.690 -9.042 1.00 0.00 H new ATOM 405 N TYR A 31 0.005 -0.324 -6.716 1.00 0.00 N ATOM 406 CA TYR A 31 0.916 -1.256 -6.074 1.00 0.00 C ATOM 407 C TYR A 31 0.433 -2.699 -6.241 1.00 0.00 C ATOM 408 O TYR A 31 -0.726 -2.932 -6.583 1.00 0.00 O ATOM 409 CB TYR A 31 0.909 -0.898 -4.587 1.00 0.00 C ATOM 410 CG TYR A 31 1.542 0.459 -4.271 1.00 0.00 C ATOM 411 CD1 TYR A 31 2.911 0.567 -4.133 1.00 0.00 C ATOM 412 CD2 TYR A 31 0.743 1.574 -4.122 1.00 0.00 C ATOM 413 CE1 TYR A 31 3.507 1.843 -3.836 1.00 0.00 C ATOM 414 CE2 TYR A 31 1.339 2.852 -3.824 1.00 0.00 C ATOM 415 CZ TYR A 31 2.691 2.923 -3.696 1.00 0.00 C ATOM 416 OH TYR A 31 3.254 4.129 -3.415 1.00 0.00 O ATOM 0 H TYR A 31 -0.912 -0.251 -6.275 1.00 0.00 H new ATOM 0 HA TYR A 31 1.910 -1.186 -6.516 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.120 -0.900 -4.228 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.441 -1.673 -4.035 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.536 -0.307 -4.248 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.328 1.489 -4.229 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.577 1.941 -3.727 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.726 3.733 -3.705 1.00 0.00 H new ATOM 0 HH TYR A 31 2.601 4.841 -3.578 1.00 0.00 H new ATOM 425 N GLY A 32 1.344 -3.627 -5.994 1.00 0.00 N ATOM 426 CA GLY A 32 1.024 -5.040 -6.112 1.00 0.00 C ATOM 427 C GLY A 32 0.518 -5.601 -4.782 1.00 0.00 C ATOM 428 O GLY A 32 -0.349 -6.473 -4.761 1.00 0.00 O ATOM 0 H GLY A 32 2.304 -3.429 -5.713 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.266 -5.182 -6.882 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.909 -5.591 -6.430 1.00 0.00 H new ATOM 432 N ASN A 33 1.082 -5.079 -3.702 1.00 0.00 N ATOM 433 CA ASN A 33 0.699 -5.517 -2.371 1.00 0.00 C ATOM 434 C ASN A 33 0.830 -4.346 -1.396 1.00 0.00 C ATOM 435 O ASN A 33 1.458 -3.336 -1.714 1.00 0.00 O ATOM 436 CB ASN A 33 1.608 -6.645 -1.880 1.00 0.00 C ATOM 437 CG ASN A 33 1.026 -7.315 -0.633 1.00 0.00 C ATOM 438 OD1 ASN A 33 -0.166 -7.273 -0.374 1.00 0.00 O ATOM 439 ND2 ASN A 33 1.931 -7.930 0.122 1.00 0.00 N ATOM 0 H ASN A 33 1.802 -4.356 -3.722 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.329 -5.876 -2.417 1.00 0.00 H new ATOM 0 HB2 ASN A 33 1.734 -7.386 -2.670 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.598 -6.248 -1.655 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.643 -8.406 0.977 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.913 -7.926 -0.154 1.00 0.00 H new ATOM 445 N LYS A 34 0.228 -4.518 -0.228 1.00 0.00 N ATOM 446 CA LYS A 34 0.271 -3.488 0.795 1.00 0.00 C ATOM 447 C LYS A 34 1.714 -3.304 1.268 1.00 0.00 C ATOM 448 O LYS A 34 2.043 -2.295 1.890 1.00 0.00 O ATOM 449 CB LYS A 34 -0.710 -3.814 1.924 1.00 0.00 C ATOM 450 CG LYS A 34 -0.082 -3.538 3.292 1.00 0.00 C ATOM 451 CD LYS A 34 -1.015 -3.978 4.422 1.00 0.00 C ATOM 452 CE LYS A 34 -0.244 -4.729 5.509 1.00 0.00 C ATOM 453 NZ LYS A 34 -1.108 -5.750 6.145 1.00 0.00 N ATOM 0 H LYS A 34 -0.292 -5.356 0.032 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.055 -2.531 0.387 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.615 -3.217 1.808 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.008 -4.861 1.861 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.868 -4.066 3.373 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.136 -2.474 3.388 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.504 -3.105 4.855 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.801 -4.618 4.021 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.635 -5.206 5.076 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.113 -4.026 6.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.570 -6.251 6.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.934 -5.287 6.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.428 -6.430 5.426 1.00 0.00 H new ATOM 463 N CYS A 35 2.536 -4.294 0.956 1.00 0.00 N ATOM 464 CA CYS A 35 3.937 -4.254 1.341 1.00 0.00 C ATOM 465 C CYS A 35 4.637 -3.188 0.496 1.00 0.00 C ATOM 466 O CYS A 35 5.329 -2.323 1.030 1.00 0.00 O ATOM 467 CB CYS A 35 4.603 -5.624 1.197 1.00 0.00 C ATOM 468 SG CYS A 35 4.932 -6.140 -0.527 1.00 0.00 S ATOM 0 H CYS A 35 2.259 -5.130 0.441 1.00 0.00 H new ATOM 0 HA CYS A 35 4.019 -3.992 2.396 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.546 -5.613 1.744 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.968 -6.373 1.671 1.00 0.00 H new ATOM 472 N ASN A 36 4.433 -3.285 -0.810 1.00 0.00 N ATOM 473 CA ASN A 36 5.037 -2.340 -1.734 1.00 0.00 C ATOM 474 C ASN A 36 4.468 -0.944 -1.472 1.00 0.00 C ATOM 475 O ASN A 36 5.201 0.043 -1.494 1.00 0.00 O ATOM 476 CB ASN A 36 4.725 -2.713 -3.184 1.00 0.00 C ATOM 477 CG ASN A 36 5.735 -3.731 -3.717 1.00 0.00 C ATOM 478 OD1 ASN A 36 6.797 -3.390 -4.211 1.00 0.00 O ATOM 479 ND2 ASN A 36 5.346 -4.997 -3.590 1.00 0.00 N ATOM 0 H ASN A 36 3.858 -4.003 -1.250 1.00 0.00 H new ATOM 0 HA ASN A 36 6.116 -2.360 -1.581 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.718 -3.126 -3.249 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.743 -1.818 -3.806 1.00 0.00 H new ATOM 0 HD21 ASN A 36 5.950 -5.751 -3.916 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.444 -5.213 -3.167 1.00 0.00 H new ATOM 485 N PHE A 37 3.166 -0.906 -1.231 1.00 0.00 N ATOM 486 CA PHE A 37 2.490 0.352 -0.966 1.00 0.00 C ATOM 487 C PHE A 37 3.004 0.989 0.327 1.00 0.00 C ATOM 488 O PHE A 37 3.298 2.183 0.362 1.00 0.00 O ATOM 489 CB PHE A 37 1.001 0.037 -0.808 1.00 0.00 C ATOM 490 CG PHE A 37 0.153 1.235 -0.378 1.00 0.00 C ATOM 491 CD1 PHE A 37 0.224 1.695 0.899 1.00 0.00 C ATOM 492 CD2 PHE A 37 -0.673 1.840 -1.274 1.00 0.00 C ATOM 493 CE1 PHE A 37 -0.564 2.807 1.298 1.00 0.00 C ATOM 494 CE2 PHE A 37 -1.461 2.953 -0.875 1.00 0.00 C ATOM 495 CZ PHE A 37 -1.389 3.412 0.403 1.00 0.00 C ATOM 0 H PHE A 37 2.561 -1.727 -1.214 1.00 0.00 H new ATOM 0 HA PHE A 37 2.673 1.051 -1.782 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.619 -0.344 -1.755 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.885 -0.760 -0.073 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.880 1.215 1.610 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.730 1.474 -2.289 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.508 3.172 2.313 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -2.116 3.434 -1.586 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.988 4.258 0.707 1.00 0.00 H new ATOM 504 N CYS A 38 3.096 0.163 1.360 1.00 0.00 N ATOM 505 CA CYS A 38 3.569 0.630 2.652 1.00 0.00 C ATOM 506 C CYS A 38 5.029 1.063 2.500 1.00 0.00 C ATOM 507 O CYS A 38 5.441 2.073 3.068 1.00 0.00 O ATOM 508 CB CYS A 38 3.400 -0.437 3.735 1.00 0.00 C ATOM 509 SG CYS A 38 1.816 -0.357 4.648 1.00 0.00 S ATOM 0 H CYS A 38 2.851 -0.827 1.328 1.00 0.00 H new ATOM 0 HA CYS A 38 2.970 1.481 2.976 1.00 0.00 H new ATOM 0 HB2 CYS A 38 3.488 -1.421 3.274 1.00 0.00 H new ATOM 0 HB3 CYS A 38 4.219 -0.345 4.448 1.00 0.00 H new ATOM 513 N ASN A 39 5.769 0.277 1.733 1.00 0.00 N ATOM 514 CA ASN A 39 7.174 0.567 1.501 1.00 0.00 C ATOM 515 C ASN A 39 7.312 1.980 0.929 1.00 0.00 C ATOM 516 O ASN A 39 8.261 2.693 1.250 1.00 0.00 O ATOM 517 CB ASN A 39 7.779 -0.412 0.492 1.00 0.00 C ATOM 518 CG ASN A 39 9.243 -0.705 0.824 1.00 0.00 C ATOM 519 OD1 ASN A 39 10.029 0.180 1.119 1.00 0.00 O ATOM 520 ND2 ASN A 39 9.565 -1.995 0.758 1.00 0.00 N ATOM 0 H ASN A 39 5.423 -0.560 1.264 1.00 0.00 H new ATOM 0 HA ASN A 39 7.698 0.476 2.452 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.209 -1.341 0.494 1.00 0.00 H new ATOM 0 HB3 ASN A 39 7.706 0.004 -0.513 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.519 -2.294 0.961 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.858 -2.685 0.505 1.00 0.00 H new ATOM 526 N ALA A 40 6.349 2.341 0.094 1.00 0.00 N ATOM 527 CA ALA A 40 6.351 3.655 -0.525 1.00 0.00 C ATOM 528 C ALA A 40 5.783 4.680 0.460 1.00 0.00 C ATOM 529 O ALA A 40 6.107 5.863 0.386 1.00 0.00 O ATOM 530 CB ALA A 40 5.560 3.605 -1.834 1.00 0.00 C ATOM 0 H ALA A 40 5.563 1.747 -0.168 1.00 0.00 H new ATOM 0 HA ALA A 40 7.368 3.961 -0.770 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.562 4.591 -2.298 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.021 2.885 -2.510 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.533 3.303 -1.627 1.00 0.00 H new ATOM 536 N VAL A 41 4.944 4.185 1.359 1.00 0.00 N ATOM 537 CA VAL A 41 4.326 5.042 2.358 1.00 0.00 C ATOM 538 C VAL A 41 5.388 5.494 3.362 1.00 0.00 C ATOM 539 O VAL A 41 5.621 6.690 3.530 1.00 0.00 O ATOM 540 CB VAL A 41 3.151 4.316 3.016 1.00 0.00 C ATOM 541 CG1 VAL A 41 2.575 5.139 4.170 1.00 0.00 C ATOM 542 CG2 VAL A 41 2.069 3.980 1.988 1.00 0.00 C ATOM 0 H VAL A 41 4.678 3.202 1.417 1.00 0.00 H new ATOM 0 HA VAL A 41 3.916 5.938 1.892 1.00 0.00 H new ATOM 0 HB VAL A 41 3.524 3.378 3.427 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.741 4.600 4.620 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.348 5.304 4.920 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.225 6.100 3.792 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.245 3.464 2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.701 4.900 1.533 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.489 3.336 1.215 1.00 0.00 H new ATOM 552 N VAL A 42 6.005 4.513 4.004 1.00 0.00 N ATOM 553 CA VAL A 42 7.037 4.794 4.987 1.00 0.00 C ATOM 554 C VAL A 42 8.169 5.581 4.322 1.00 0.00 C ATOM 555 O VAL A 42 8.799 6.425 4.957 1.00 0.00 O ATOM 556 CB VAL A 42 7.514 3.492 5.633 1.00 0.00 C ATOM 557 CG1 VAL A 42 8.930 3.138 5.173 1.00 0.00 C ATOM 558 CG2 VAL A 42 7.439 3.577 7.159 1.00 0.00 C ATOM 0 H VAL A 42 5.810 3.522 3.862 1.00 0.00 H new ATOM 0 HA VAL A 42 6.639 5.413 5.791 1.00 0.00 H new ATOM 0 HB VAL A 42 6.847 2.694 5.309 1.00 0.00 H new ATOM 0 HG11 VAL A 42 9.245 2.208 5.647 1.00 0.00 H new ATOM 0 HG12 VAL A 42 8.941 3.015 4.090 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.615 3.938 5.454 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.784 2.638 7.593 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.071 4.393 7.509 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.408 3.760 7.463 1.00 0.00 H new ATOM 568 N GLU A 43 8.391 5.276 3.052 1.00 0.00 N ATOM 569 CA GLU A 43 9.435 5.944 2.294 1.00 0.00 C ATOM 570 C GLU A 43 9.010 7.373 1.949 1.00 0.00 C ATOM 571 O GLU A 43 9.852 8.259 1.808 1.00 0.00 O ATOM 572 CB GLU A 43 9.785 5.156 1.029 1.00 0.00 C ATOM 573 CG GLU A 43 10.848 4.095 1.321 1.00 0.00 C ATOM 574 CD GLU A 43 11.731 3.852 0.095 1.00 0.00 C ATOM 575 OE1 GLU A 43 11.682 4.633 -0.867 1.00 0.00 O ATOM 576 OE2 GLU A 43 12.487 2.810 0.166 1.00 0.00 O ATOM 0 H GLU A 43 7.866 4.575 2.529 1.00 0.00 H new ATOM 0 HA GLU A 43 10.331 5.991 2.913 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.888 4.679 0.634 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.148 5.838 0.260 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.465 4.415 2.161 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.366 3.163 1.617 1.00 0.00 H new ATOM 582 N SER A 44 7.703 7.553 1.823 1.00 0.00 N ATOM 583 CA SER A 44 7.156 8.859 1.498 1.00 0.00 C ATOM 584 C SER A 44 6.835 9.627 2.782 1.00 0.00 C ATOM 585 O SER A 44 5.938 10.468 2.798 1.00 0.00 O ATOM 586 CB SER A 44 5.902 8.730 0.630 1.00 0.00 C ATOM 587 OG SER A 44 4.962 7.813 1.182 1.00 0.00 O ATOM 0 H SER A 44 7.007 6.816 1.940 1.00 0.00 H new ATOM 0 HA SER A 44 7.904 9.411 0.929 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.434 9.708 0.522 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.185 8.401 -0.370 1.00 0.00 H new ATOM 0 HG SER A 44 4.961 6.988 0.654 1.00 0.00 H new ATOM 592 N ASN A 45 7.586 9.309 3.827 1.00 0.00 N ATOM 593 CA ASN A 45 7.393 9.958 5.112 1.00 0.00 C ATOM 594 C ASN A 45 5.983 9.658 5.623 1.00 0.00 C ATOM 595 O ASN A 45 5.504 10.309 6.551 1.00 0.00 O ATOM 596 CB ASN A 45 7.539 11.477 4.989 1.00 0.00 C ATOM 597 CG ASN A 45 8.943 11.928 5.396 1.00 0.00 C ATOM 598 OD1 ASN A 45 9.862 11.138 5.529 1.00 0.00 O ATOM 599 ND2 ASN A 45 9.055 13.240 5.586 1.00 0.00 N ATOM 0 H ASN A 45 8.329 8.610 3.809 1.00 0.00 H new ATOM 0 HA ASN A 45 8.149 9.578 5.799 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.338 11.783 3.962 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.798 11.969 5.619 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.952 13.641 5.860 1.00 0.00 H new ATOM 0 HD22 ASN A 45 8.244 13.845 5.457 1.00 0.00 H new ATOM 605 N GLY A 46 5.357 8.673 4.997 1.00 0.00 N ATOM 606 CA GLY A 46 4.012 8.279 5.377 1.00 0.00 C ATOM 607 C GLY A 46 2.980 9.280 4.856 1.00 0.00 C ATOM 608 O GLY A 46 1.933 9.476 5.473 1.00 0.00 O ATOM 0 H GLY A 46 5.757 8.135 4.228 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.794 7.287 4.981 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.942 8.211 6.463 1.00 0.00 H new ATOM 612 N THR A 47 3.309 9.889 3.726 1.00 0.00 N ATOM 613 CA THR A 47 2.423 10.866 3.117 1.00 0.00 C ATOM 614 C THR A 47 1.520 10.193 2.081 1.00 0.00 C ATOM 615 O THR A 47 0.403 10.648 1.838 1.00 0.00 O ATOM 616 CB THR A 47 3.286 11.987 2.533 1.00 0.00 C ATOM 617 OG1 THR A 47 4.082 11.335 1.546 1.00 0.00 O ATOM 618 CG2 THR A 47 4.307 12.523 3.538 1.00 0.00 C ATOM 0 H THR A 47 4.177 9.724 3.216 1.00 0.00 H new ATOM 0 HA THR A 47 1.750 11.304 3.854 1.00 0.00 H new ATOM 0 HB THR A 47 2.644 12.801 2.197 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.027 11.384 1.803 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.893 13.316 3.073 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.786 12.920 4.409 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.970 11.716 3.848 1.00 0.00 H new ATOM 626 N LEU A 48 2.037 9.120 1.499 1.00 0.00 N ATOM 627 CA LEU A 48 1.291 8.381 0.496 1.00 0.00 C ATOM 628 C LEU A 48 0.025 7.800 1.132 1.00 0.00 C ATOM 629 O LEU A 48 0.105 7.006 2.069 1.00 0.00 O ATOM 630 CB LEU A 48 2.182 7.330 -0.168 1.00 0.00 C ATOM 631 CG LEU A 48 1.556 6.555 -1.330 1.00 0.00 C ATOM 632 CD1 LEU A 48 0.273 5.848 -0.888 1.00 0.00 C ATOM 633 CD2 LEU A 48 1.322 7.468 -2.535 1.00 0.00 C ATOM 0 H LEU A 48 2.963 8.746 1.704 1.00 0.00 H new ATOM 0 HA LEU A 48 0.970 9.046 -0.305 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.083 7.824 -0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.495 6.615 0.593 1.00 0.00 H new ATOM 0 HG LEU A 48 2.258 5.782 -1.644 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.152 5.305 -1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.502 5.148 -0.084 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.446 6.587 -0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.877 6.892 -3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.649 8.278 -2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.273 7.885 -2.866 1.00 0.00 H new ATOM 644 N THR A 49 -1.113 8.219 0.598 1.00 0.00 N ATOM 645 CA THR A 49 -2.392 7.750 1.102 1.00 0.00 C ATOM 646 C THR A 49 -3.006 6.735 0.137 1.00 0.00 C ATOM 647 O THR A 49 -2.760 6.790 -1.067 1.00 0.00 O ATOM 648 CB THR A 49 -3.280 8.972 1.345 1.00 0.00 C ATOM 649 OG1 THR A 49 -3.337 9.618 0.076 1.00 0.00 O ATOM 650 CG2 THR A 49 -2.618 10.006 2.259 1.00 0.00 C ATOM 0 H THR A 49 -1.176 8.878 -0.178 1.00 0.00 H new ATOM 0 HA THR A 49 -2.275 7.221 2.048 1.00 0.00 H new ATOM 0 HB THR A 49 -4.225 8.651 1.784 1.00 0.00 H new ATOM 0 HG1 THR A 49 -3.895 10.421 0.142 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.291 10.852 2.398 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.402 9.551 3.226 1.00 0.00 H new ATOM 0 HG23 THR A 49 -1.689 10.352 1.805 1.00 0.00 H new ATOM 658 N LEU A 50 -3.794 5.832 0.701 1.00 0.00 N ATOM 659 CA LEU A 50 -4.447 4.807 -0.096 1.00 0.00 C ATOM 660 C LEU A 50 -5.772 5.349 -0.632 1.00 0.00 C ATOM 661 O LEU A 50 -6.662 5.702 0.141 1.00 0.00 O ATOM 662 CB LEU A 50 -4.591 3.514 0.711 1.00 0.00 C ATOM 663 CG LEU A 50 -4.921 2.255 -0.094 1.00 0.00 C ATOM 664 CD1 LEU A 50 -4.172 1.040 0.458 1.00 0.00 C ATOM 665 CD2 LEU A 50 -6.432 2.020 -0.151 1.00 0.00 C ATOM 0 H LEU A 50 -3.995 5.788 1.700 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.836 4.550 -0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.661 3.342 1.253 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.372 3.660 1.457 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.580 2.406 -1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.424 0.159 -0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.098 1.219 0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.460 0.876 1.497 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.639 1.119 -0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.820 1.899 0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.915 2.874 -0.625 1.00 0.00 H new ATOM 676 N SER A 51 -5.864 5.398 -1.953 1.00 0.00 N ATOM 677 CA SER A 51 -7.067 5.891 -2.602 1.00 0.00 C ATOM 678 C SER A 51 -8.160 4.821 -2.561 1.00 0.00 C ATOM 679 O SER A 51 -9.319 5.122 -2.279 1.00 0.00 O ATOM 680 CB SER A 51 -6.783 6.305 -4.047 1.00 0.00 C ATOM 681 OG SER A 51 -7.314 7.592 -4.348 1.00 0.00 O ATOM 0 H SER A 51 -5.125 5.104 -2.592 1.00 0.00 H new ATOM 0 HA SER A 51 -7.411 6.773 -2.061 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.707 6.308 -4.218 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.212 5.568 -4.726 1.00 0.00 H new ATOM 0 HG SER A 51 -7.110 7.820 -5.279 1.00 0.00 H new ATOM 686 N HIS A 52 -7.752 3.593 -2.847 1.00 0.00 N ATOM 687 CA HIS A 52 -8.682 2.477 -2.847 1.00 0.00 C ATOM 688 C HIS A 52 -7.924 1.176 -3.121 1.00 0.00 C ATOM 689 O HIS A 52 -6.730 1.201 -3.417 1.00 0.00 O ATOM 690 CB HIS A 52 -9.823 2.718 -3.838 1.00 0.00 C ATOM 691 CG HIS A 52 -9.389 2.715 -5.285 1.00 0.00 C ATOM 692 ND1 HIS A 52 -9.453 1.585 -6.083 1.00 0.00 N ATOM 693 CD2 HIS A 52 -8.887 3.712 -6.068 1.00 0.00 C ATOM 694 CE1 HIS A 52 -9.005 1.900 -7.289 1.00 0.00 C ATOM 695 NE2 HIS A 52 -8.656 3.219 -7.278 1.00 0.00 N ATOM 0 H HIS A 52 -6.790 3.347 -3.080 1.00 0.00 H new ATOM 0 HA HIS A 52 -9.145 2.387 -1.865 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -10.583 1.950 -3.695 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -10.291 3.676 -3.612 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -9.788 0.667 -5.792 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -8.708 4.730 -5.756 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -8.929 1.230 -8.133 1.00 0.00 H new ATOM 703 N PHE A 53 -8.648 0.073 -3.013 1.00 0.00 N ATOM 704 CA PHE A 53 -8.058 -1.234 -3.246 1.00 0.00 C ATOM 705 C PHE A 53 -8.312 -1.704 -4.680 1.00 0.00 C ATOM 706 O PHE A 53 -9.227 -1.217 -5.343 1.00 0.00 O ATOM 707 CB PHE A 53 -8.733 -2.209 -2.278 1.00 0.00 C ATOM 708 CG PHE A 53 -8.101 -2.238 -0.884 1.00 0.00 C ATOM 709 CD1 PHE A 53 -7.009 -3.012 -0.648 1.00 0.00 C ATOM 710 CD2 PHE A 53 -8.633 -1.487 0.119 1.00 0.00 C ATOM 711 CE1 PHE A 53 -6.423 -3.038 0.645 1.00 0.00 C ATOM 712 CE2 PHE A 53 -8.047 -1.513 1.412 1.00 0.00 C ATOM 713 CZ PHE A 53 -6.955 -2.289 1.648 1.00 0.00 C ATOM 0 H PHE A 53 -9.638 0.057 -2.767 1.00 0.00 H new ATOM 0 HA PHE A 53 -6.980 -1.187 -3.092 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.785 -1.941 -2.183 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.696 -3.212 -2.704 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -6.587 -3.607 -1.444 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -9.500 -0.872 -0.069 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.555 -3.653 0.832 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -8.468 -0.917 2.208 1.00 0.00 H new ATOM 0 HZ PHE A 53 -6.510 -2.310 2.632 1.00 0.00 H new ATOM 722 N GLY A 54 -7.486 -2.642 -5.118 1.00 0.00 N ATOM 723 CA GLY A 54 -7.609 -3.181 -6.462 1.00 0.00 C ATOM 724 C GLY A 54 -6.968 -2.247 -7.488 1.00 0.00 C ATOM 725 O GLY A 54 -7.013 -1.027 -7.336 1.00 0.00 O ATOM 0 H GLY A 54 -6.728 -3.043 -4.566 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -7.133 -4.161 -6.510 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.662 -3.326 -6.705 1.00 0.00 H new ATOM 729 N LYS A 55 -6.385 -2.854 -8.512 1.00 0.00 N ATOM 730 CA LYS A 55 -5.735 -2.092 -9.564 1.00 0.00 C ATOM 731 C LYS A 55 -6.577 -0.855 -9.886 1.00 0.00 C ATOM 732 O LYS A 55 -7.801 -0.939 -9.976 1.00 0.00 O ATOM 733 CB LYS A 55 -5.460 -2.981 -10.778 1.00 0.00 C ATOM 734 CG LYS A 55 -4.023 -3.507 -10.757 1.00 0.00 C ATOM 735 CD LYS A 55 -3.850 -4.665 -11.741 1.00 0.00 C ATOM 736 CE LYS A 55 -3.672 -5.992 -11.001 1.00 0.00 C ATOM 737 NZ LYS A 55 -4.908 -6.803 -11.087 1.00 0.00 N ATOM 0 H LYS A 55 -6.350 -3.866 -8.635 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.760 -1.737 -9.230 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.158 -3.818 -10.786 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.631 -2.415 -11.694 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -3.333 -2.702 -11.012 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.768 -3.839 -9.751 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.720 -4.723 -12.396 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.984 -4.480 -12.377 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.836 -6.545 -11.430 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.426 -5.802 -9.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.770 -7.700 -10.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.697 -6.280 -10.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.126 -6.999 -12.085 1.00 0.00 H new ATOM 747 N CYS A 56 -5.886 0.264 -10.049 1.00 0.00 N ATOM 748 CA CYS A 56 -6.555 1.517 -10.358 1.00 0.00 C ATOM 749 C CYS A 56 -7.591 1.251 -11.452 1.00 0.00 C ATOM 750 O CYS A 56 -8.300 2.163 -11.877 1.00 0.00 O ATOM 751 CB CYS A 56 -5.559 2.603 -10.767 1.00 0.00 C ATOM 752 SG CYS A 56 -5.609 4.116 -9.738 1.00 0.00 S ATOM 0 H CYS A 56 -4.871 0.329 -9.973 1.00 0.00 H new ATOM 0 HA CYS A 56 -7.058 1.894 -9.467 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.552 2.187 -10.728 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.749 2.879 -11.804 1.00 0.00 H new TER 756 CYS A 56