USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 435 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 51 THR OG1 : rot 170:sc= 2.16 USER MOD Set 1.2: A 54 LYS NZ :NH3+ -177:sc= 2.39 (180deg=1.2) USER MOD Set 2.1: A 45 HIS : no HD1:sc= -0.745 X(o=0.42,f=0.19) USER MOD Set 2.2: A 66 HIS : no HE2:sc= 1.17 K(o=0.42,f=-5!) USER MOD Set 3.1: A 17 HIS : no HE2:sc= -0.0686 X(o=-0.33,f=-0.26) USER MOD Set 3.2: A 30 HIS : no HD1:sc= -0.263 X(o=-0.33,f=-0.33) USER MOD Set 4.1: A 20 HIS : no HE2:sc= -0.418 K(o=-0.42,f=-2.8!) USER MOD Set 4.2: A 53 HIS : no HD1:sc= 0 X(o=-0.42,f=-0.42) USER MOD Set 5.1: A 5 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 66:sc= 0.027 USER MOD Single : A 8 ASN : amide:sc=-0.00399 X(o=-0.004,f=-0.079) USER MOD Single : A 12 ASN : amide:sc= -0.428 K(o=-0.43,f=-3.2!) USER MOD Single : A 18 LYS NZ :NH3+ 160:sc= 1.15 (180deg=-1.37!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -165:sc= 0.938 (180deg=0.325) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 1.13 USER MOD Single : A 46 LYS NZ :NH3+ 139:sc= 1.14 (180deg=0.76) USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 178:sc= 1.25 (180deg=1.22) USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 74:sc= 0.167 USER MOD Single : A 65 CYS SG : rot 180:sc= -0.241 USER MOD Single : A 68 LYS NZ :NH3+ -179:sc= 1.21 (180deg=1.13) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 -9.186 -9.773 0.091 1.00 10.00 N ATOM 14 CA ASP A 2 -8.189 -10.723 -0.393 1.00 10.00 C ATOM 15 C ASP A 2 -7.097 -10.111 -1.294 1.00 10.00 C ATOM 16 O ASP A 2 -7.220 -8.999 -1.796 1.00 10.00 O ATOM 17 CB ASP A 2 -8.878 -11.986 -0.938 1.00 10.00 C ATOM 18 CG ASP A 2 -9.517 -12.793 0.181 1.00 10.00 C ATOM 19 OD1 ASP A 2 -10.409 -12.266 0.884 1.00 10.00 O ATOM 20 OD2 ASP A 2 -9.045 -13.920 0.445 1.00 10.00 O ATOM 0 HA ASP A 2 -7.593 -11.042 0.462 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -9.639 -11.703 -1.665 1.00 10.00 H new ATOM 0 HB3 ASP A 2 -8.149 -12.603 -1.463 1.00 10.00 H new ATOM 25 N VAL A 3 -5.958 -10.803 -1.385 1.00 10.00 N ATOM 26 CA VAL A 3 -4.702 -10.262 -1.898 1.00 10.00 C ATOM 27 C VAL A 3 -4.814 -9.838 -3.368 1.00 10.00 C ATOM 28 O VAL A 3 -5.182 -10.641 -4.223 1.00 10.00 O ATOM 29 CB VAL A 3 -3.567 -11.285 -1.694 1.00 10.00 C ATOM 30 CG1 VAL A 3 -2.226 -10.719 -2.182 1.00 10.00 C ATOM 31 CG2 VAL A 3 -3.424 -11.685 -0.217 1.00 10.00 C ATOM 0 H VAL A 3 -5.885 -11.779 -1.096 1.00 10.00 H new ATOM 0 HA VAL A 3 -4.468 -9.360 -1.333 1.00 10.00 H new ATOM 0 HB VAL A 3 -3.830 -12.167 -2.278 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -1.441 -11.459 -2.028 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -2.296 -10.481 -3.243 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.987 -9.815 -1.622 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -2.614 -12.407 -0.112 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -3.201 -10.800 0.380 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -4.356 -12.131 0.131 1.00 10.00 H new ATOM 41 N VAL A 4 -4.467 -8.581 -3.659 1.00 10.00 N ATOM 42 CA VAL A 4 -4.493 -8.016 -5.009 1.00 10.00 C ATOM 43 C VAL A 4 -3.066 -7.727 -5.507 1.00 10.00 C ATOM 44 O VAL A 4 -2.371 -6.865 -4.969 1.00 10.00 O ATOM 45 CB VAL A 4 -5.374 -6.754 -5.053 1.00 10.00 C ATOM 46 CG1 VAL A 4 -5.647 -6.353 -6.510 1.00 10.00 C ATOM 47 CG2 VAL A 4 -6.718 -6.950 -4.342 1.00 10.00 C ATOM 0 H VAL A 4 -4.155 -7.917 -2.950 1.00 10.00 H new ATOM 0 HA VAL A 4 -4.934 -8.751 -5.683 1.00 10.00 H new ATOM 0 HB VAL A 4 -4.824 -5.971 -4.532 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -6.271 -5.459 -6.531 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -4.703 -6.148 -7.014 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -6.162 -7.167 -7.021 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -7.299 -6.030 -4.403 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -7.268 -7.760 -4.821 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -6.543 -7.200 -3.296 1.00 10.00 H new ATOM 57 N THR A 5 -2.631 -8.439 -6.550 1.00 10.00 N ATOM 58 CA THR A 5 -1.376 -8.164 -7.257 1.00 10.00 C ATOM 59 C THR A 5 -1.582 -7.109 -8.344 1.00 10.00 C ATOM 60 O THR A 5 -2.527 -7.186 -9.124 1.00 10.00 O ATOM 61 CB THR A 5 -0.780 -9.469 -7.819 1.00 10.00 C ATOM 62 OG1 THR A 5 0.055 -10.031 -6.832 1.00 10.00 O ATOM 63 CG2 THR A 5 0.085 -9.287 -9.069 1.00 10.00 C ATOM 0 H THR A 5 -3.146 -9.232 -6.932 1.00 10.00 H new ATOM 0 HA THR A 5 -0.656 -7.753 -6.549 1.00 10.00 H new ATOM 0 HB THR A 5 -1.630 -10.094 -8.093 1.00 10.00 H new ATOM 0 HG1 THR A 5 0.444 -10.865 -7.169 1.00 10.00 H new ATOM 0 HG21 THR A 5 0.462 -10.256 -9.395 1.00 10.00 H new ATOM 0 HG22 THR A 5 -0.514 -8.845 -9.865 1.00 10.00 H new ATOM 0 HG23 THR A 5 0.924 -8.630 -8.839 1.00 10.00 H new ATOM 71 N TYR A 6 -0.672 -6.131 -8.385 1.00 10.00 N ATOM 72 CA TYR A 6 -0.637 -5.057 -9.366 1.00 10.00 C ATOM 73 C TYR A 6 0.699 -5.040 -10.096 1.00 10.00 C ATOM 74 O TYR A 6 1.731 -4.850 -9.454 1.00 10.00 O ATOM 75 CB TYR A 6 -0.771 -3.721 -8.661 1.00 10.00 C ATOM 76 CG TYR A 6 -2.159 -3.428 -8.144 1.00 10.00 C ATOM 77 CD1 TYR A 6 -2.578 -4.037 -6.952 1.00 10.00 C ATOM 78 CD2 TYR A 6 -3.003 -2.517 -8.802 1.00 10.00 C ATOM 79 CE1 TYR A 6 -3.783 -3.646 -6.355 1.00 10.00 C ATOM 80 CE2 TYR A 6 -4.210 -2.118 -8.195 1.00 10.00 C ATOM 81 CZ TYR A 6 -4.589 -2.676 -6.964 1.00 10.00 C ATOM 82 OH TYR A 6 -5.741 -2.310 -6.348 1.00 10.00 O ATOM 0 H TYR A 6 0.087 -6.069 -7.707 1.00 10.00 H new ATOM 0 HA TYR A 6 -1.453 -5.221 -10.070 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -0.071 -3.692 -7.826 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -0.478 -2.929 -9.350 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -1.973 -4.806 -6.495 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -2.727 -2.124 -9.770 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -4.092 -4.094 -5.422 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -4.842 -1.385 -8.675 1.00 10.00 H new ATOM 0 HH TYR A 6 -5.531 -1.851 -5.508 1.00 10.00 H new ATOM 92 N GLU A 7 0.654 -5.236 -11.412 1.00 10.00 N ATOM 93 CA GLU A 7 1.799 -5.537 -12.255 1.00 10.00 C ATOM 94 C GLU A 7 2.325 -4.313 -13.026 1.00 10.00 C ATOM 95 O GLU A 7 2.127 -4.186 -14.232 1.00 10.00 O ATOM 96 CB GLU A 7 1.413 -6.719 -13.160 1.00 10.00 C ATOM 97 CG GLU A 7 0.648 -7.797 -12.375 1.00 10.00 C ATOM 98 CD GLU A 7 0.711 -9.168 -13.035 1.00 10.00 C ATOM 99 OE1 GLU A 7 1.799 -9.781 -12.947 1.00 10.00 O ATOM 100 OE2 GLU A 7 -0.329 -9.582 -13.586 1.00 10.00 O ATOM 0 H GLU A 7 -0.219 -5.186 -11.937 1.00 10.00 H new ATOM 0 HA GLU A 7 2.649 -5.822 -11.634 1.00 10.00 H new ATOM 0 HB2 GLU A 7 0.797 -6.362 -13.986 1.00 10.00 H new ATOM 0 HB3 GLU A 7 2.312 -7.154 -13.597 1.00 10.00 H new ATOM 0 HG2 GLU A 7 1.058 -7.865 -11.367 1.00 10.00 H new ATOM 0 HG3 GLU A 7 -0.395 -7.495 -12.275 1.00 10.00 H new ATOM 107 N ASN A 8 3.032 -3.418 -12.326 1.00 10.00 N ATOM 108 CA ASN A 8 3.691 -2.264 -12.940 1.00 10.00 C ATOM 109 C ASN A 8 4.797 -2.709 -13.894 1.00 10.00 C ATOM 110 O ASN A 8 5.476 -3.703 -13.633 1.00 10.00 O ATOM 111 CB ASN A 8 4.354 -1.367 -11.882 1.00 10.00 C ATOM 112 CG ASN A 8 3.568 -1.217 -10.605 1.00 10.00 C ATOM 113 OD1 ASN A 8 2.869 -0.238 -10.427 1.00 10.00 O ATOM 114 ND2 ASN A 8 3.744 -2.131 -9.664 1.00 10.00 N ATOM 0 H ASN A 8 3.162 -3.476 -11.316 1.00 10.00 H new ATOM 0 HA ASN A 8 2.913 -1.717 -13.472 1.00 10.00 H new ATOM 0 HB2 ASN A 8 5.336 -1.775 -11.643 1.00 10.00 H new ATOM 0 HB3 ASN A 8 4.515 -0.379 -12.312 1.00 10.00 H new ATOM 0 HD21 ASN A 8 3.287 -2.025 -8.758 1.00 10.00 H new ATOM 0 HD22 ASN A 8 4.337 -2.941 -9.845 1.00 10.00 H new ATOM 121 N ALA A 9 5.109 -1.884 -14.897 1.00 10.00 N ATOM 122 CA ALA A 9 6.335 -2.057 -15.671 1.00 10.00 C ATOM 123 C ALA A 9 7.595 -2.044 -14.783 1.00 10.00 C ATOM 124 O ALA A 9 8.631 -2.586 -15.157 1.00 10.00 O ATOM 125 CB ALA A 9 6.401 -0.948 -16.715 1.00 10.00 C ATOM 0 H ALA A 9 4.532 -1.095 -15.189 1.00 10.00 H new ATOM 0 HA ALA A 9 6.311 -3.034 -16.153 1.00 10.00 H new ATOM 0 HB1 ALA A 9 7.310 -1.058 -17.306 1.00 10.00 H new ATOM 0 HB2 ALA A 9 5.533 -1.013 -17.370 1.00 10.00 H new ATOM 0 HB3 ALA A 9 6.407 0.021 -16.216 1.00 10.00 H new ATOM 131 N ALA A 10 7.496 -1.431 -13.597 1.00 10.00 N ATOM 132 CA ALA A 10 8.565 -1.365 -12.605 1.00 10.00 C ATOM 133 C ALA A 10 8.704 -2.636 -11.743 1.00 10.00 C ATOM 134 O ALA A 10 9.626 -2.703 -10.934 1.00 10.00 O ATOM 135 CB ALA A 10 8.324 -0.135 -11.725 1.00 10.00 C ATOM 0 H ALA A 10 6.645 -0.956 -13.297 1.00 10.00 H new ATOM 0 HA ALA A 10 9.510 -1.287 -13.142 1.00 10.00 H new ATOM 0 HB1 ALA A 10 9.112 -0.064 -10.975 1.00 10.00 H new ATOM 0 HB2 ALA A 10 8.331 0.762 -12.344 1.00 10.00 H new ATOM 0 HB3 ALA A 10 7.358 -0.226 -11.229 1.00 10.00 H new ATOM 141 N GLY A 11 7.790 -3.610 -11.865 1.00 10.00 N ATOM 142 CA GLY A 11 7.755 -4.810 -11.017 1.00 10.00 C ATOM 143 C GLY A 11 6.476 -4.807 -10.183 1.00 10.00 C ATOM 144 O GLY A 11 6.003 -3.735 -9.799 1.00 10.00 O ATOM 0 H GLY A 11 7.046 -3.586 -12.563 1.00 10.00 H new ATOM 0 HA2 GLY A 11 7.796 -5.707 -11.635 1.00 10.00 H new ATOM 0 HA3 GLY A 11 8.628 -4.832 -10.364 1.00 10.00 H new ATOM 148 N ASN A 12 5.863 -5.965 -9.920 1.00 10.00 N ATOM 149 CA ASN A 12 4.547 -5.964 -9.273 1.00 10.00 C ATOM 150 C ASN A 12 4.657 -5.561 -7.798 1.00 10.00 C ATOM 151 O ASN A 12 5.761 -5.543 -7.268 1.00 10.00 O ATOM 152 CB ASN A 12 3.778 -7.289 -9.390 1.00 10.00 C ATOM 153 CG ASN A 12 3.866 -8.020 -10.729 1.00 10.00 C ATOM 154 OD1 ASN A 12 4.468 -7.555 -11.688 1.00 10.00 O ATOM 155 ND2 ASN A 12 3.226 -9.176 -10.801 1.00 10.00 N ATOM 0 H ASN A 12 6.241 -6.887 -10.136 1.00 10.00 H new ATOM 0 HA ASN A 12 3.968 -5.222 -9.823 1.00 10.00 H new ATOM 0 HB2 ASN A 12 4.139 -7.961 -8.611 1.00 10.00 H new ATOM 0 HB3 ASN A 12 2.727 -7.092 -9.179 1.00 10.00 H new ATOM 0 HD21 ASN A 12 3.226 -9.705 -11.673 1.00 10.00 H new ATOM 0 HD22 ASN A 12 2.733 -9.538 -9.985 1.00 10.00 H new ATOM 162 N VAL A 13 3.543 -5.232 -7.136 1.00 10.00 N ATOM 163 CA VAL A 13 3.606 -4.605 -5.805 1.00 10.00 C ATOM 164 C VAL A 13 3.003 -5.396 -4.625 1.00 10.00 C ATOM 165 O VAL A 13 3.502 -5.299 -3.508 1.00 10.00 O ATOM 166 CB VAL A 13 3.027 -3.194 -5.923 1.00 10.00 C ATOM 167 CG1 VAL A 13 1.517 -3.194 -5.718 1.00 10.00 C ATOM 168 CG2 VAL A 13 3.676 -2.260 -4.907 1.00 10.00 C ATOM 0 H VAL A 13 2.599 -5.385 -7.490 1.00 10.00 H new ATOM 0 HA VAL A 13 4.659 -4.584 -5.524 1.00 10.00 H new ATOM 0 HB VAL A 13 3.241 -2.838 -6.931 1.00 10.00 H new ATOM 0 HG11 VAL A 13 1.138 -2.176 -5.808 1.00 10.00 H new ATOM 0 HG12 VAL A 13 1.047 -3.825 -6.473 1.00 10.00 H new ATOM 0 HG13 VAL A 13 1.284 -3.581 -4.726 1.00 10.00 H new ATOM 0 HG21 VAL A 13 3.251 -1.261 -5.007 1.00 10.00 H new ATOM 0 HG22 VAL A 13 3.492 -2.634 -3.900 1.00 10.00 H new ATOM 0 HG23 VAL A 13 4.750 -2.216 -5.087 1.00 10.00 H new ATOM 178 N THR A 14 1.907 -6.135 -4.846 1.00 10.00 N ATOM 179 CA THR A 14 1.164 -6.892 -3.833 1.00 10.00 C ATOM 180 C THR A 14 0.510 -6.013 -2.749 1.00 10.00 C ATOM 181 O THR A 14 1.142 -5.580 -1.789 1.00 10.00 O ATOM 182 CB THR A 14 2.024 -8.041 -3.283 1.00 10.00 C ATOM 183 OG1 THR A 14 2.184 -9.006 -4.305 1.00 10.00 O ATOM 184 CG2 THR A 14 1.394 -8.748 -2.082 1.00 10.00 C ATOM 0 H THR A 14 1.498 -6.224 -5.776 1.00 10.00 H new ATOM 0 HA THR A 14 0.306 -7.345 -4.329 1.00 10.00 H new ATOM 0 HB THR A 14 2.968 -7.604 -2.958 1.00 10.00 H new ATOM 0 HG1 THR A 14 2.732 -9.747 -3.972 1.00 10.00 H new ATOM 0 HG21 THR A 14 2.053 -9.548 -1.744 1.00 10.00 H new ATOM 0 HG22 THR A 14 1.248 -8.032 -1.273 1.00 10.00 H new ATOM 0 HG23 THR A 14 0.431 -9.169 -2.372 1.00 10.00 H new ATOM 192 N PHE A 15 -0.798 -5.778 -2.905 1.00 10.00 N ATOM 193 CA PHE A 15 -1.686 -5.221 -1.877 1.00 10.00 C ATOM 194 C PHE A 15 -2.366 -6.362 -1.095 1.00 10.00 C ATOM 195 O PHE A 15 -3.341 -6.945 -1.583 1.00 10.00 O ATOM 196 CB PHE A 15 -2.807 -4.397 -2.532 1.00 10.00 C ATOM 197 CG PHE A 15 -2.511 -3.011 -3.077 1.00 10.00 C ATOM 198 CD1 PHE A 15 -1.533 -2.844 -4.072 1.00 10.00 C ATOM 199 CD2 PHE A 15 -3.512 -2.029 -2.933 1.00 10.00 C ATOM 200 CE1 PHE A 15 -1.589 -1.745 -4.951 1.00 10.00 C ATOM 201 CE2 PHE A 15 -3.619 -0.984 -3.864 1.00 10.00 C ATOM 202 CZ PHE A 15 -2.661 -0.845 -4.879 1.00 10.00 C ATOM 0 H PHE A 15 -1.284 -5.977 -3.779 1.00 10.00 H new ATOM 0 HA PHE A 15 -1.083 -4.598 -1.217 1.00 10.00 H new ATOM 0 HB2 PHE A 15 -3.207 -4.990 -3.354 1.00 10.00 H new ATOM 0 HB3 PHE A 15 -3.605 -4.293 -1.797 1.00 10.00 H new ATOM 0 HD1 PHE A 15 -0.733 -3.563 -4.163 1.00 10.00 H new ATOM 0 HD2 PHE A 15 -4.200 -2.081 -2.102 1.00 10.00 H new ATOM 0 HE1 PHE A 15 -0.806 -1.596 -5.680 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -4.440 -0.286 -3.799 1.00 10.00 H new ATOM 0 HZ PHE A 15 -2.749 -0.048 -5.602 1.00 10.00 H new ATOM 212 N ASP A 16 -1.928 -6.665 0.131 1.00 10.00 N ATOM 213 CA ASP A 16 -2.527 -7.742 0.911 1.00 10.00 C ATOM 214 C ASP A 16 -3.782 -7.233 1.623 1.00 10.00 C ATOM 215 O ASP A 16 -3.786 -7.002 2.833 1.00 10.00 O ATOM 216 CB ASP A 16 -1.509 -8.375 1.870 1.00 10.00 C ATOM 217 CG ASP A 16 -0.083 -8.229 1.399 1.00 10.00 C ATOM 218 OD1 ASP A 16 0.373 -7.070 1.502 1.00 10.00 O ATOM 219 OD2 ASP A 16 0.492 -9.243 0.959 1.00 10.00 O ATOM 0 H ASP A 16 -1.163 -6.179 0.600 1.00 10.00 H new ATOM 0 HA ASP A 16 -2.835 -8.542 0.237 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -1.610 -7.915 2.853 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -1.740 -9.434 1.989 1.00 10.00 H new ATOM 224 N HIS A 17 -4.864 -7.072 0.854 1.00 10.00 N ATOM 225 CA HIS A 17 -6.148 -6.573 1.345 1.00 10.00 C ATOM 226 C HIS A 17 -6.590 -7.319 2.612 1.00 10.00 C ATOM 227 O HIS A 17 -7.175 -6.731 3.516 1.00 10.00 O ATOM 228 CB HIS A 17 -7.195 -6.695 0.228 1.00 10.00 C ATOM 229 CG HIS A 17 -7.990 -5.442 -0.031 1.00 10.00 C ATOM 230 ND1 HIS A 17 -8.152 -4.837 -1.253 1.00 10.00 N ATOM 231 CD2 HIS A 17 -8.461 -4.580 0.919 1.00 10.00 C ATOM 232 CE1 HIS A 17 -8.698 -3.629 -1.031 1.00 10.00 C ATOM 233 NE2 HIS A 17 -8.887 -3.407 0.285 1.00 10.00 N ATOM 0 H HIS A 17 -4.870 -7.289 -0.143 1.00 10.00 H new ATOM 0 HA HIS A 17 -6.042 -5.524 1.620 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -6.691 -6.986 -0.694 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -7.884 -7.500 0.482 1.00 10.00 H new ATOM 0 HD1 HIS A 17 -7.904 -5.231 -2.161 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -8.498 -4.772 1.981 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -8.953 -2.925 -1.809 1.00 10.00 H new ATOM 241 N LYS A 18 -6.263 -8.616 2.657 1.00 10.00 N ATOM 242 CA LYS A 18 -6.305 -9.446 3.858 1.00 10.00 C ATOM 243 C LYS A 18 -5.101 -9.203 4.787 1.00 10.00 C ATOM 244 O LYS A 18 -5.269 -8.611 5.842 1.00 10.00 O ATOM 245 CB LYS A 18 -6.443 -10.925 3.458 1.00 10.00 C ATOM 246 CG LYS A 18 -7.633 -11.593 4.159 1.00 10.00 C ATOM 247 CD LYS A 18 -7.943 -12.913 3.449 1.00 10.00 C ATOM 248 CE LYS A 18 -9.253 -13.548 3.939 1.00 10.00 C ATOM 249 NZ LYS A 18 -10.071 -14.010 2.794 1.00 10.00 N ATOM 0 H LYS A 18 -5.953 -9.129 1.831 1.00 10.00 H new ATOM 0 HA LYS A 18 -7.181 -9.160 4.440 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -6.568 -11.000 2.378 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -5.526 -11.457 3.710 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -7.400 -11.774 5.208 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -8.503 -10.937 4.134 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -8.007 -12.738 2.375 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -7.121 -13.611 3.610 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -9.032 -14.388 4.597 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -9.817 -12.823 4.526 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -10.760 -14.716 3.122 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -10.576 -13.201 2.379 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -9.452 -14.438 2.076 1.00 10.00 H new ATOM 263 N ALA A 19 -3.889 -9.664 4.441 1.00 10.00 N ATOM 264 CA ALA A 19 -2.792 -9.793 5.408 1.00 10.00 C ATOM 265 C ALA A 19 -2.448 -8.484 6.124 1.00 10.00 C ATOM 266 O ALA A 19 -2.156 -8.491 7.319 1.00 10.00 O ATOM 267 CB ALA A 19 -1.542 -10.369 4.742 1.00 10.00 C ATOM 0 H ALA A 19 -3.645 -9.954 3.494 1.00 10.00 H new ATOM 0 HA ALA A 19 -3.151 -10.483 6.172 1.00 10.00 H new ATOM 0 HB1 ALA A 19 -0.744 -10.455 5.479 1.00 10.00 H new ATOM 0 HB2 ALA A 19 -1.768 -11.355 4.335 1.00 10.00 H new ATOM 0 HB3 ALA A 19 -1.222 -9.709 3.936 1.00 10.00 H new ATOM 273 N HIS A 20 -2.510 -7.353 5.411 1.00 10.00 N ATOM 274 CA HIS A 20 -2.404 -6.059 6.066 1.00 10.00 C ATOM 275 C HIS A 20 -3.567 -5.883 7.065 1.00 10.00 C ATOM 276 O HIS A 20 -3.346 -5.644 8.250 1.00 10.00 O ATOM 277 CB HIS A 20 -2.349 -4.930 5.025 1.00 10.00 C ATOM 278 CG HIS A 20 -0.992 -4.630 4.421 1.00 10.00 C ATOM 279 ND1 HIS A 20 -0.393 -5.276 3.359 1.00 10.00 N ATOM 280 CD2 HIS A 20 -0.211 -3.536 4.709 1.00 10.00 C ATOM 281 CE1 HIS A 20 0.706 -4.583 3.031 1.00 10.00 C ATOM 282 NE2 HIS A 20 0.874 -3.515 3.824 1.00 10.00 N ATOM 0 H HIS A 20 -2.631 -7.314 4.399 1.00 10.00 H new ATOM 0 HA HIS A 20 -1.473 -6.011 6.632 1.00 10.00 H new ATOM 0 HB2 HIS A 20 -3.035 -5.179 4.215 1.00 10.00 H new ATOM 0 HB3 HIS A 20 -2.724 -4.019 5.491 1.00 10.00 H new ATOM 0 HD1 HIS A 20 -0.726 -6.127 2.906 1.00 10.00 H new ATOM 0 HD2 HIS A 20 -0.402 -2.813 5.488 1.00 10.00 H new ATOM 0 HE1 HIS A 20 1.375 -4.852 2.226 1.00 10.00 H new ATOM 290 N ALA A 21 -4.815 -6.043 6.610 1.00 10.00 N ATOM 291 CA ALA A 21 -6.010 -5.947 7.450 1.00 10.00 C ATOM 292 C ALA A 21 -5.989 -6.857 8.685 1.00 10.00 C ATOM 293 O ALA A 21 -6.426 -6.427 9.748 1.00 10.00 O ATOM 294 CB ALA A 21 -7.263 -6.232 6.627 1.00 10.00 C ATOM 0 H ALA A 21 -5.024 -6.246 5.633 1.00 10.00 H new ATOM 0 HA ALA A 21 -6.021 -4.923 7.823 1.00 10.00 H new ATOM 0 HB1 ALA A 21 -8.143 -6.157 7.266 1.00 10.00 H new ATOM 0 HB2 ALA A 21 -7.339 -5.506 5.817 1.00 10.00 H new ATOM 0 HB3 ALA A 21 -7.203 -7.237 6.209 1.00 10.00 H new ATOM 300 N GLU A 22 -5.481 -8.087 8.578 1.00 10.00 N ATOM 301 CA GLU A 22 -5.371 -8.994 9.719 1.00 10.00 C ATOM 302 C GLU A 22 -4.655 -8.338 10.921 1.00 10.00 C ATOM 303 O GLU A 22 -4.987 -8.614 12.071 1.00 10.00 O ATOM 304 CB GLU A 22 -4.672 -10.297 9.300 1.00 10.00 C ATOM 305 CG GLU A 22 -5.394 -11.097 8.197 1.00 10.00 C ATOM 306 CD GLU A 22 -6.850 -11.428 8.500 1.00 10.00 C ATOM 307 OE1 GLU A 22 -7.104 -11.913 9.621 1.00 10.00 O ATOM 308 OE2 GLU A 22 -7.676 -11.215 7.584 1.00 10.00 O ATOM 0 H GLU A 22 -5.136 -8.479 7.702 1.00 10.00 H new ATOM 0 HA GLU A 22 -6.382 -9.231 10.049 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.666 -10.058 8.955 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -4.565 -10.933 10.179 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.351 -10.529 7.268 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -4.852 -12.027 8.028 1.00 10.00 H new ATOM 315 N LYS A 23 -3.688 -7.447 10.660 1.00 10.00 N ATOM 316 CA LYS A 23 -3.058 -6.605 11.674 1.00 10.00 C ATOM 317 C LYS A 23 -3.784 -5.257 11.848 1.00 10.00 C ATOM 318 O LYS A 23 -3.974 -4.790 12.968 1.00 10.00 O ATOM 319 CB LYS A 23 -1.592 -6.383 11.272 1.00 10.00 C ATOM 320 CG LYS A 23 -0.723 -7.601 11.611 1.00 10.00 C ATOM 321 CD LYS A 23 0.717 -7.382 11.123 1.00 10.00 C ATOM 322 CE LYS A 23 1.653 -8.458 11.695 1.00 10.00 C ATOM 323 NZ LYS A 23 3.026 -8.327 11.160 1.00 10.00 N ATOM 0 H LYS A 23 -3.319 -7.292 9.722 1.00 10.00 H new ATOM 0 HA LYS A 23 -3.117 -7.111 12.637 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -1.534 -6.180 10.203 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -1.203 -5.503 11.785 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -0.727 -7.771 12.688 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -1.140 -8.494 11.146 1.00 10.00 H new ATOM 0 HD2 LYS A 23 0.745 -7.410 10.034 1.00 10.00 H new ATOM 0 HD3 LYS A 23 1.063 -6.394 11.426 1.00 10.00 H new ATOM 0 HE2 LYS A 23 1.677 -8.380 12.782 1.00 10.00 H new ATOM 0 HE3 LYS A 23 1.261 -9.446 11.455 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 3.630 -9.069 11.568 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 3.006 -8.426 10.125 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 3.409 -7.393 11.411 1.00 10.00 H new ATOM 337 N LEU A 24 -4.127 -4.599 10.737 1.00 10.00 N ATOM 338 CA LEU A 24 -4.469 -3.177 10.684 1.00 10.00 C ATOM 339 C LEU A 24 -5.978 -2.858 10.765 1.00 10.00 C ATOM 340 O LEU A 24 -6.353 -1.713 11.000 1.00 10.00 O ATOM 341 CB LEU A 24 -3.843 -2.599 9.410 1.00 10.00 C ATOM 342 CG LEU A 24 -2.317 -2.756 9.294 1.00 10.00 C ATOM 343 CD1 LEU A 24 -1.876 -2.079 7.994 1.00 10.00 C ATOM 344 CD2 LEU A 24 -1.572 -2.115 10.469 1.00 10.00 C ATOM 0 H LEU A 24 -4.175 -5.054 9.825 1.00 10.00 H new ATOM 0 HA LEU A 24 -4.064 -2.708 11.581 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -4.307 -3.078 8.548 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -4.087 -1.538 9.355 1.00 10.00 H new ATOM 0 HG LEU A 24 -2.077 -3.819 9.302 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -0.796 -2.174 7.883 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -2.371 -2.557 7.149 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -2.147 -1.024 8.023 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -0.499 -2.254 10.339 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -1.798 -1.049 10.505 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -1.888 -2.585 11.400 1.00 10.00 H new ATOM 356 N GLY A 25 -6.860 -3.840 10.572 1.00 10.00 N ATOM 357 CA GLY A 25 -8.297 -3.719 10.823 1.00 10.00 C ATOM 358 C GLY A 25 -9.047 -2.690 9.969 1.00 10.00 C ATOM 359 O GLY A 25 -9.840 -1.924 10.502 1.00 10.00 O ATOM 0 H GLY A 25 -6.589 -4.762 10.229 1.00 10.00 H new ATOM 0 HA2 GLY A 25 -8.756 -4.695 10.666 1.00 10.00 H new ATOM 0 HA3 GLY A 25 -8.442 -3.464 11.873 1.00 10.00 H new ATOM 363 N CYS A 26 -8.818 -2.711 8.652 1.00 10.00 N ATOM 364 CA CYS A 26 -9.451 -1.897 7.601 1.00 10.00 C ATOM 365 C CYS A 26 -9.243 -0.384 7.763 1.00 10.00 C ATOM 366 O CYS A 26 -8.657 0.249 6.886 1.00 10.00 O ATOM 367 CB CYS A 26 -10.921 -2.198 7.429 1.00 10.00 C ATOM 368 SG CYS A 26 -11.367 -3.958 7.296 1.00 10.00 S ATOM 0 H CYS A 26 -8.128 -3.350 8.258 1.00 10.00 H new ATOM 0 HA CYS A 26 -8.926 -2.197 6.694 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -11.460 -1.770 8.274 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -11.274 -1.686 6.534 1.00 10.00 H new ATOM 0 HG CYS A 26 -12.654 -4.070 7.155 1.00 10.00 H new ATOM 373 N ASP A 27 -9.740 0.197 8.857 1.00 10.00 N ATOM 374 CA ASP A 27 -9.776 1.619 9.162 1.00 10.00 C ATOM 375 C ASP A 27 -8.409 2.283 8.970 1.00 10.00 C ATOM 376 O ASP A 27 -8.311 3.375 8.416 1.00 10.00 O ATOM 377 CB ASP A 27 -10.321 1.795 10.584 1.00 10.00 C ATOM 378 CG ASP A 27 -11.802 1.453 10.667 1.00 10.00 C ATOM 379 OD1 ASP A 27 -12.140 0.302 10.316 1.00 10.00 O ATOM 380 OD2 ASP A 27 -12.567 2.353 11.073 1.00 10.00 O ATOM 0 H ASP A 27 -10.157 -0.359 9.604 1.00 10.00 H new ATOM 0 HA ASP A 27 -10.440 2.126 8.462 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -9.762 1.158 11.269 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -10.167 2.824 10.908 1.00 10.00 H new ATOM 385 N ALA A 28 -7.347 1.564 9.338 1.00 10.00 N ATOM 386 CA ALA A 28 -5.957 1.903 9.045 1.00 10.00 C ATOM 387 C ALA A 28 -5.689 2.421 7.620 1.00 10.00 C ATOM 388 O ALA A 28 -4.796 3.242 7.421 1.00 10.00 O ATOM 389 CB ALA A 28 -5.146 0.637 9.271 1.00 10.00 C ATOM 0 H ALA A 28 -7.437 0.697 9.868 1.00 10.00 H new ATOM 0 HA ALA A 28 -5.680 2.730 9.699 1.00 10.00 H new ATOM 0 HB1 ALA A 28 -4.095 0.837 9.065 1.00 10.00 H new ATOM 0 HB2 ALA A 28 -5.258 0.313 10.306 1.00 10.00 H new ATOM 0 HB3 ALA A 28 -5.504 -0.148 8.605 1.00 10.00 H new ATOM 395 N CYS A 29 -6.427 1.914 6.627 1.00 10.00 N ATOM 396 CA CYS A 29 -6.335 2.314 5.223 1.00 10.00 C ATOM 397 C CYS A 29 -7.604 3.043 4.746 1.00 10.00 C ATOM 398 O CYS A 29 -7.723 3.389 3.571 1.00 10.00 O ATOM 399 CB CYS A 29 -6.150 1.074 4.392 1.00 10.00 C ATOM 400 SG CYS A 29 -4.546 0.235 4.646 1.00 10.00 S ATOM 0 H CYS A 29 -7.128 1.190 6.786 1.00 10.00 H new ATOM 0 HA CYS A 29 -5.495 3.000 5.116 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -6.954 0.374 4.620 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -6.247 1.338 3.339 1.00 10.00 H new ATOM 0 HG CYS A 29 -4.484 -0.820 3.889 1.00 10.00 H new ATOM 405 N HIS A 30 -8.584 3.228 5.629 1.00 10.00 N ATOM 406 CA HIS A 30 -9.949 3.553 5.264 1.00 10.00 C ATOM 407 C HIS A 30 -10.681 4.268 6.399 1.00 10.00 C ATOM 408 O HIS A 30 -11.548 3.685 7.049 1.00 10.00 O ATOM 409 CB HIS A 30 -10.671 2.252 4.904 1.00 10.00 C ATOM 410 CG HIS A 30 -10.273 1.591 3.619 1.00 10.00 C ATOM 411 ND1 HIS A 30 -10.319 2.159 2.376 1.00 10.00 N ATOM 412 CD2 HIS A 30 -10.018 0.264 3.448 1.00 10.00 C ATOM 413 CE1 HIS A 30 -10.071 1.191 1.472 1.00 10.00 C ATOM 414 NE2 HIS A 30 -9.876 0.004 2.073 1.00 10.00 N ATOM 0 H HIS A 30 -8.442 3.153 6.636 1.00 10.00 H new ATOM 0 HA HIS A 30 -9.939 4.233 4.412 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -10.514 1.541 5.715 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -11.741 2.457 4.863 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -9.938 -0.468 4.238 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -10.034 1.348 0.404 1.00 10.00 H new ATOM 0 HE2 HIS A 30 -9.670 -0.891 1.628 1.00 10.00 H new ATOM 422 N GLU A 31 -10.365 5.543 6.596 1.00 10.00 N ATOM 423 CA GLU A 31 -10.854 6.312 7.722 1.00 10.00 C ATOM 424 C GLU A 31 -12.363 6.632 7.640 1.00 10.00 C ATOM 425 O GLU A 31 -12.756 7.772 7.399 1.00 10.00 O ATOM 426 CB GLU A 31 -9.996 7.573 7.816 1.00 10.00 C ATOM 427 CG GLU A 31 -8.533 7.255 8.172 1.00 10.00 C ATOM 428 CD GLU A 31 -7.682 8.515 8.251 1.00 10.00 C ATOM 429 OE1 GLU A 31 -7.196 8.932 7.178 1.00 10.00 O ATOM 430 OE2 GLU A 31 -7.546 9.038 9.377 1.00 10.00 O ATOM 0 H GLU A 31 -9.757 6.071 5.970 1.00 10.00 H new ATOM 0 HA GLU A 31 -10.762 5.719 8.632 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -10.029 8.105 6.865 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -10.415 8.240 8.569 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -8.497 6.732 9.128 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -8.115 6.581 7.424 1.00 10.00 H new ATOM 437 N GLY A 32 -13.207 5.619 7.853 1.00 10.00 N ATOM 438 CA GLY A 32 -14.654 5.695 7.685 1.00 10.00 C ATOM 439 C GLY A 32 -15.067 5.403 6.236 1.00 10.00 C ATOM 440 O GLY A 32 -14.614 6.072 5.313 1.00 10.00 O ATOM 0 H GLY A 32 -12.890 4.698 8.156 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -15.137 4.982 8.353 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -15.003 6.687 7.971 1.00 10.00 H new ATOM 444 N THR A 33 -15.929 4.397 6.031 1.00 10.00 N ATOM 445 CA THR A 33 -16.516 4.062 4.726 1.00 10.00 C ATOM 446 C THR A 33 -15.459 3.618 3.697 1.00 10.00 C ATOM 447 O THR A 33 -15.006 4.426 2.887 1.00 10.00 O ATOM 448 CB THR A 33 -17.372 5.231 4.199 1.00 10.00 C ATOM 449 OG1 THR A 33 -18.291 5.637 5.194 1.00 10.00 O ATOM 450 CG2 THR A 33 -18.191 4.824 2.971 1.00 10.00 C ATOM 0 H THR A 33 -16.244 3.782 6.782 1.00 10.00 H new ATOM 0 HA THR A 33 -17.169 3.202 4.876 1.00 10.00 H new ATOM 0 HB THR A 33 -16.685 6.035 3.933 1.00 10.00 H new ATOM 0 HG1 THR A 33 -18.832 6.381 4.856 1.00 10.00 H new ATOM 0 HG21 THR A 33 -18.781 5.674 2.629 1.00 10.00 H new ATOM 0 HG22 THR A 33 -17.519 4.505 2.175 1.00 10.00 H new ATOM 0 HG23 THR A 33 -18.857 4.002 3.234 1.00 10.00 H new ATOM 458 N PRO A 34 -15.051 2.337 3.689 1.00 10.00 N ATOM 459 CA PRO A 34 -14.002 1.865 2.796 1.00 10.00 C ATOM 460 C PRO A 34 -14.467 1.888 1.334 1.00 10.00 C ATOM 461 O PRO A 34 -15.573 1.454 1.020 1.00 10.00 O ATOM 462 CB PRO A 34 -13.674 0.453 3.279 1.00 10.00 C ATOM 463 CG PRO A 34 -15.002 -0.031 3.856 1.00 10.00 C ATOM 464 CD PRO A 34 -15.573 1.238 4.487 1.00 10.00 C ATOM 0 HA PRO A 34 -13.119 2.504 2.822 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -13.333 -0.184 2.463 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -12.885 0.457 4.031 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -15.659 -0.430 3.083 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -14.860 -0.822 4.593 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -16.663 1.227 4.474 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -15.267 1.330 5.529 1.00 10.00 H new ATOM 472 N ALA A 35 -13.618 2.406 0.443 1.00 10.00 N ATOM 473 CA ALA A 35 -13.940 2.646 -0.960 1.00 10.00 C ATOM 474 C ALA A 35 -12.662 2.666 -1.812 1.00 10.00 C ATOM 475 O ALA A 35 -11.550 2.634 -1.276 1.00 10.00 O ATOM 476 CB ALA A 35 -14.703 3.971 -1.074 1.00 10.00 C ATOM 0 H ALA A 35 -12.665 2.676 0.686 1.00 10.00 H new ATOM 0 HA ALA A 35 -14.568 1.839 -1.336 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -14.949 4.161 -2.119 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -15.621 3.913 -0.490 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -14.082 4.782 -0.695 1.00 10.00 H new ATOM 482 N LYS A 36 -12.811 2.699 -3.141 1.00 10.00 N ATOM 483 CA LYS A 36 -11.674 2.619 -4.053 1.00 10.00 C ATOM 484 C LYS A 36 -10.855 3.913 -4.163 1.00 10.00 C ATOM 485 O LYS A 36 -11.112 4.778 -4.999 1.00 10.00 O ATOM 486 CB LYS A 36 -12.056 2.025 -5.412 1.00 10.00 C ATOM 487 CG LYS A 36 -13.259 2.670 -6.106 1.00 10.00 C ATOM 488 CD LYS A 36 -13.463 1.929 -7.430 1.00 10.00 C ATOM 489 CE LYS A 36 -14.718 2.433 -8.143 1.00 10.00 C ATOM 490 NZ LYS A 36 -14.930 1.689 -9.399 1.00 10.00 N ATOM 0 H LYS A 36 -13.715 2.781 -3.607 1.00 10.00 H new ATOM 0 HA LYS A 36 -10.987 1.911 -3.589 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -11.194 2.100 -6.075 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -12.264 0.963 -5.278 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -14.149 2.596 -5.482 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -13.080 3.731 -6.281 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -12.593 2.072 -8.070 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -13.549 0.858 -7.244 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -15.585 2.316 -7.493 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -14.620 3.498 -8.356 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -15.786 2.043 -9.872 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -14.109 1.822 -10.024 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -15.044 0.677 -9.188 1.00 10.00 H new ATOM 504 N ILE A 37 -9.826 4.015 -3.320 1.00 10.00 N ATOM 505 CA ILE A 37 -8.798 5.053 -3.373 1.00 10.00 C ATOM 506 C ILE A 37 -7.949 4.889 -4.647 1.00 10.00 C ATOM 507 O ILE A 37 -7.430 3.807 -4.901 1.00 10.00 O ATOM 508 CB ILE A 37 -7.919 4.950 -2.108 1.00 10.00 C ATOM 509 CG1 ILE A 37 -8.758 5.153 -0.829 1.00 10.00 C ATOM 510 CG2 ILE A 37 -6.778 5.980 -2.159 1.00 10.00 C ATOM 511 CD1 ILE A 37 -8.046 4.638 0.427 1.00 10.00 C ATOM 0 H ILE A 37 -9.682 3.354 -2.556 1.00 10.00 H new ATOM 0 HA ILE A 37 -9.264 6.038 -3.404 1.00 10.00 H new ATOM 0 HB ILE A 37 -7.491 3.948 -2.081 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -8.980 6.213 -0.708 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -9.712 4.638 -0.939 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -6.169 5.893 -1.259 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -6.158 5.794 -3.036 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -7.197 6.985 -2.218 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -8.679 4.805 1.298 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -7.848 3.571 0.321 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -7.104 5.171 0.556 1.00 10.00 H new ATOM 523 N ALA A 38 -7.776 5.947 -5.447 1.00 10.00 N ATOM 524 CA ALA A 38 -7.027 5.864 -6.702 1.00 10.00 C ATOM 525 C ALA A 38 -5.503 5.768 -6.507 1.00 10.00 C ATOM 526 O ALA A 38 -4.855 6.707 -6.035 1.00 10.00 O ATOM 527 CB ALA A 38 -7.391 7.043 -7.603 1.00 10.00 C ATOM 0 H ALA A 38 -8.148 6.875 -5.244 1.00 10.00 H new ATOM 0 HA ALA A 38 -7.320 4.930 -7.183 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -6.830 6.975 -8.535 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -8.459 7.019 -7.820 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -7.144 7.977 -7.098 1.00 10.00 H new ATOM 533 N ILE A 39 -4.935 4.631 -6.912 1.00 10.00 N ATOM 534 CA ILE A 39 -3.507 4.327 -6.860 1.00 10.00 C ATOM 535 C ILE A 39 -2.873 4.401 -8.266 1.00 10.00 C ATOM 536 O ILE A 39 -3.490 4.004 -9.250 1.00 10.00 O ATOM 537 CB ILE A 39 -3.315 2.951 -6.198 1.00 10.00 C ATOM 538 CG1 ILE A 39 -4.078 2.819 -4.866 1.00 10.00 C ATOM 539 CG2 ILE A 39 -1.828 2.671 -5.973 1.00 10.00 C ATOM 540 CD1 ILE A 39 -3.655 3.812 -3.776 1.00 10.00 C ATOM 0 H ILE A 39 -5.483 3.864 -7.302 1.00 10.00 H new ATOM 0 HA ILE A 39 -2.990 5.073 -6.257 1.00 10.00 H new ATOM 0 HB ILE A 39 -3.730 2.213 -6.884 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -5.143 2.948 -5.060 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -3.943 1.806 -4.486 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -1.709 1.694 -5.504 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -1.307 2.680 -6.930 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -1.407 3.439 -5.324 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -4.248 3.641 -2.878 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -2.599 3.672 -3.546 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -3.817 4.830 -4.129 1.00 10.00 H new ATOM 552 N ASP A 40 -1.650 4.942 -8.335 1.00 10.00 N ATOM 553 CA ASP A 40 -0.768 5.059 -9.500 1.00 10.00 C ATOM 554 C ASP A 40 0.588 5.567 -8.967 1.00 10.00 C ATOM 555 O ASP A 40 0.762 5.751 -7.754 1.00 10.00 O ATOM 556 CB ASP A 40 -1.402 5.997 -10.562 1.00 10.00 C ATOM 557 CG ASP A 40 -0.556 6.298 -11.806 1.00 10.00 C ATOM 558 OD1 ASP A 40 0.211 5.407 -12.257 1.00 10.00 O ATOM 559 OD2 ASP A 40 -0.581 7.470 -12.233 1.00 10.00 O ATOM 0 H ASP A 40 -1.216 5.344 -7.504 1.00 10.00 H new ATOM 0 HA ASP A 40 -0.621 4.106 -10.009 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -2.343 5.554 -10.889 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -1.646 6.943 -10.079 1.00 10.00 H new ATOM 564 N LYS A 41 1.526 5.856 -9.867 1.00 10.00 N ATOM 565 CA LYS A 41 2.799 6.549 -9.636 1.00 10.00 C ATOM 566 C LYS A 41 2.656 8.029 -9.222 1.00 10.00 C ATOM 567 O LYS A 41 3.327 8.914 -9.745 1.00 10.00 O ATOM 568 CB LYS A 41 3.778 6.322 -10.809 1.00 10.00 C ATOM 569 CG LYS A 41 3.011 6.222 -12.128 1.00 10.00 C ATOM 570 CD LYS A 41 3.794 6.277 -13.440 1.00 10.00 C ATOM 571 CE LYS A 41 2.801 6.084 -14.605 1.00 10.00 C ATOM 572 NZ LYS A 41 1.889 4.921 -14.423 1.00 10.00 N ATOM 0 H LYS A 41 1.412 5.595 -10.846 1.00 10.00 H new ATOM 0 HA LYS A 41 3.243 6.087 -8.754 1.00 10.00 H new ATOM 0 HB2 LYS A 41 4.494 7.142 -10.858 1.00 10.00 H new ATOM 0 HB3 LYS A 41 4.350 5.409 -10.643 1.00 10.00 H new ATOM 0 HG2 LYS A 41 2.453 5.286 -12.115 1.00 10.00 H new ATOM 0 HG3 LYS A 41 2.279 7.029 -12.146 1.00 10.00 H new ATOM 0 HD2 LYS A 41 4.309 7.233 -13.535 1.00 10.00 H new ATOM 0 HD3 LYS A 41 4.558 5.500 -13.459 1.00 10.00 H new ATOM 0 HE2 LYS A 41 2.204 6.989 -14.717 1.00 10.00 H new ATOM 0 HE3 LYS A 41 3.361 5.955 -15.531 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 1.432 4.693 -15.329 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 2.435 4.099 -14.095 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 1.162 5.157 -13.718 1.00 10.00 H new ATOM 586 N LYS A 42 1.842 8.263 -8.192 1.00 10.00 N ATOM 587 CA LYS A 42 1.723 9.490 -7.415 1.00 10.00 C ATOM 588 C LYS A 42 1.373 9.082 -5.976 1.00 10.00 C ATOM 589 O LYS A 42 2.236 9.064 -5.094 1.00 10.00 O ATOM 590 CB LYS A 42 0.637 10.400 -8.023 1.00 10.00 C ATOM 591 CG LYS A 42 1.156 11.237 -9.199 1.00 10.00 C ATOM 592 CD LYS A 42 0.004 12.025 -9.835 1.00 10.00 C ATOM 593 CE LYS A 42 0.553 12.991 -10.893 1.00 10.00 C ATOM 594 NZ LYS A 42 -0.537 13.635 -11.657 1.00 10.00 N ATOM 0 H LYS A 42 1.202 7.543 -7.857 1.00 10.00 H new ATOM 0 HA LYS A 42 2.654 10.056 -7.425 1.00 10.00 H new ATOM 0 HB2 LYS A 42 -0.198 9.786 -8.360 1.00 10.00 H new ATOM 0 HB3 LYS A 42 0.252 11.066 -7.250 1.00 10.00 H new ATOM 0 HG2 LYS A 42 1.929 11.923 -8.854 1.00 10.00 H new ATOM 0 HG3 LYS A 42 1.616 10.587 -9.943 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -0.709 11.339 -10.292 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -0.535 12.581 -9.068 1.00 10.00 H new ATOM 0 HE2 LYS A 42 1.160 13.756 -10.409 1.00 10.00 H new ATOM 0 HE3 LYS A 42 1.207 12.450 -11.577 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -0.131 14.281 -12.363 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -1.101 12.906 -12.139 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -1.147 14.171 -11.007 1.00 10.00 H new ATOM 608 N SER A 43 0.113 8.679 -5.765 1.00 10.00 N ATOM 609 CA SER A 43 -0.455 8.286 -4.483 1.00 10.00 C ATOM 610 C SER A 43 0.485 7.357 -3.716 1.00 10.00 C ATOM 611 O SER A 43 0.819 7.621 -2.560 1.00 10.00 O ATOM 612 CB SER A 43 -1.815 7.605 -4.733 1.00 10.00 C ATOM 613 OG SER A 43 -2.487 8.214 -5.822 1.00 10.00 O ATOM 0 H SER A 43 -0.565 8.618 -6.525 1.00 10.00 H new ATOM 0 HA SER A 43 -0.595 9.174 -3.867 1.00 10.00 H new ATOM 0 HB2 SER A 43 -1.664 6.545 -4.939 1.00 10.00 H new ATOM 0 HB3 SER A 43 -2.431 7.671 -3.836 1.00 10.00 H new ATOM 0 HG SER A 43 -3.344 7.763 -5.971 1.00 10.00 H new ATOM 619 N ALA A 44 0.923 6.290 -4.400 1.00 10.00 N ATOM 620 CA ALA A 44 1.700 5.198 -3.820 1.00 10.00 C ATOM 621 C ALA A 44 3.056 5.640 -3.255 1.00 10.00 C ATOM 622 O ALA A 44 3.580 5.026 -2.328 1.00 10.00 O ATOM 623 CB ALA A 44 1.916 4.131 -4.892 1.00 10.00 C ATOM 0 H ALA A 44 0.739 6.165 -5.395 1.00 10.00 H new ATOM 0 HA ALA A 44 1.130 4.808 -2.976 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.495 3.308 -4.474 1.00 10.00 H new ATOM 0 HB2 ALA A 44 0.951 3.758 -5.234 1.00 10.00 H new ATOM 0 HB3 ALA A 44 2.456 4.565 -5.733 1.00 10.00 H new ATOM 629 N HIS A 45 3.646 6.678 -3.852 1.00 10.00 N ATOM 630 CA HIS A 45 4.987 7.142 -3.511 1.00 10.00 C ATOM 631 C HIS A 45 4.945 8.323 -2.536 1.00 10.00 C ATOM 632 O HIS A 45 5.878 8.517 -1.759 1.00 10.00 O ATOM 633 CB HIS A 45 5.764 7.459 -4.790 1.00 10.00 C ATOM 634 CG HIS A 45 5.757 6.292 -5.741 1.00 10.00 C ATOM 635 ND1 HIS A 45 4.847 6.132 -6.749 1.00 10.00 N ATOM 636 CD2 HIS A 45 6.462 5.119 -5.630 1.00 10.00 C ATOM 637 CE1 HIS A 45 5.018 4.898 -7.247 1.00 10.00 C ATOM 638 NE2 HIS A 45 5.989 4.231 -6.609 1.00 10.00 N ATOM 0 H HIS A 45 3.201 7.222 -4.591 1.00 10.00 H new ATOM 0 HA HIS A 45 5.516 6.345 -2.988 1.00 10.00 H new ATOM 0 HB2 HIS A 45 5.326 8.330 -5.277 1.00 10.00 H new ATOM 0 HB3 HIS A 45 6.792 7.719 -4.538 1.00 10.00 H new ATOM 0 HD2 HIS A 45 7.244 4.915 -4.914 1.00 10.00 H new ATOM 0 HE1 HIS A 45 4.442 4.491 -8.065 1.00 10.00 H new ATOM 0 HE2 HIS A 45 6.314 3.282 -6.795 1.00 10.00 H new ATOM 646 N LYS A 46 3.860 9.106 -2.561 1.00 10.00 N ATOM 647 CA LYS A 46 3.725 10.300 -1.735 1.00 10.00 C ATOM 648 C LYS A 46 3.315 9.931 -0.304 1.00 10.00 C ATOM 649 O LYS A 46 4.089 10.090 0.647 1.00 10.00 O ATOM 650 CB LYS A 46 2.711 11.247 -2.400 1.00 10.00 C ATOM 651 CG LYS A 46 2.696 12.625 -1.723 1.00 10.00 C ATOM 652 CD LYS A 46 1.616 13.520 -2.350 1.00 10.00 C ATOM 653 CE LYS A 46 1.507 14.879 -1.641 1.00 10.00 C ATOM 654 NZ LYS A 46 0.819 14.772 -0.336 1.00 10.00 N ATOM 0 H LYS A 46 3.053 8.925 -3.157 1.00 10.00 H new ATOM 0 HA LYS A 46 4.685 10.811 -1.659 1.00 10.00 H new ATOM 0 HB2 LYS A 46 2.958 11.362 -3.455 1.00 10.00 H new ATOM 0 HB3 LYS A 46 1.715 10.807 -2.352 1.00 10.00 H new ATOM 0 HG2 LYS A 46 2.507 12.510 -0.656 1.00 10.00 H new ATOM 0 HG3 LYS A 46 3.673 13.098 -1.825 1.00 10.00 H new ATOM 0 HD2 LYS A 46 1.845 13.679 -3.404 1.00 10.00 H new ATOM 0 HD3 LYS A 46 0.653 13.011 -2.306 1.00 10.00 H new ATOM 0 HE2 LYS A 46 2.505 15.290 -1.491 1.00 10.00 H new ATOM 0 HE3 LYS A 46 0.966 15.578 -2.279 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 1.305 15.369 0.363 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -0.167 15.089 -0.436 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 0.834 13.783 -0.016 1.00 10.00 H new ATOM 668 N ASP A 47 2.069 9.466 -0.174 1.00 10.00 N ATOM 669 CA ASP A 47 1.373 9.302 1.086 1.00 10.00 C ATOM 670 C ASP A 47 0.636 7.960 1.186 1.00 10.00 C ATOM 671 O ASP A 47 0.851 7.219 2.144 1.00 10.00 O ATOM 672 CB ASP A 47 0.421 10.490 1.250 1.00 10.00 C ATOM 673 CG ASP A 47 1.104 11.695 1.869 1.00 10.00 C ATOM 674 OD1 ASP A 47 1.676 11.529 2.966 1.00 10.00 O ATOM 675 OD2 ASP A 47 1.054 12.767 1.227 1.00 10.00 O ATOM 0 H ASP A 47 1.506 9.186 -0.977 1.00 10.00 H new ATOM 0 HA ASP A 47 2.098 9.285 1.900 1.00 10.00 H new ATOM 0 HB2 ASP A 47 0.016 10.765 0.276 1.00 10.00 H new ATOM 0 HB3 ASP A 47 -0.422 10.193 1.873 1.00 10.00 H new ATOM 680 N ALA A 48 -0.229 7.636 0.218 1.00 10.00 N ATOM 681 CA ALA A 48 -0.952 6.369 0.233 1.00 10.00 C ATOM 682 C ALA A 48 0.039 5.207 0.320 1.00 10.00 C ATOM 683 O ALA A 48 0.959 5.119 -0.490 1.00 10.00 O ATOM 684 CB ALA A 48 -1.837 6.242 -1.009 1.00 10.00 C ATOM 0 H ALA A 48 -0.442 8.234 -0.580 1.00 10.00 H new ATOM 0 HA ALA A 48 -1.599 6.339 1.109 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -2.369 5.291 -0.981 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -2.557 7.060 -1.028 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -1.216 6.284 -1.904 1.00 10.00 H new ATOM 690 N CYS A 49 -0.109 4.367 1.349 1.00 10.00 N ATOM 691 CA CYS A 49 0.805 3.272 1.680 1.00 10.00 C ATOM 692 C CYS A 49 2.136 3.782 2.223 1.00 10.00 C ATOM 693 O CYS A 49 2.494 3.498 3.370 1.00 10.00 O ATOM 694 CB CYS A 49 0.969 2.313 0.528 1.00 10.00 C ATOM 695 SG CYS A 49 -0.700 1.753 0.078 1.00 10.00 S ATOM 0 H CYS A 49 -0.895 4.434 1.995 1.00 10.00 H new ATOM 0 HA CYS A 49 0.349 2.702 2.490 1.00 10.00 H new ATOM 0 HB2 CYS A 49 1.455 2.801 -0.317 1.00 10.00 H new ATOM 0 HB3 CYS A 49 1.597 1.469 0.813 1.00 10.00 H new ATOM 0 HG CYS A 49 -0.625 0.920 -0.917 1.00 10.00 H new ATOM 700 N LYS A 50 2.860 4.557 1.413 1.00 10.00 N ATOM 701 CA LYS A 50 4.121 5.151 1.816 1.00 10.00 C ATOM 702 C LYS A 50 4.082 5.748 3.228 1.00 10.00 C ATOM 703 O LYS A 50 4.854 5.304 4.061 1.00 10.00 O ATOM 704 CB LYS A 50 4.666 6.118 0.751 1.00 10.00 C ATOM 705 CG LYS A 50 5.802 5.470 -0.059 1.00 10.00 C ATOM 706 CD LYS A 50 7.224 5.585 0.539 1.00 10.00 C ATOM 707 CE LYS A 50 7.364 4.889 1.899 1.00 10.00 C ATOM 708 NZ LYS A 50 8.700 5.014 2.519 1.00 10.00 N ATOM 0 H LYS A 50 2.582 4.786 0.459 1.00 10.00 H new ATOM 0 HA LYS A 50 4.843 4.337 1.882 1.00 10.00 H new ATOM 0 HB2 LYS A 50 3.861 6.415 0.079 1.00 10.00 H new ATOM 0 HB3 LYS A 50 5.031 7.025 1.232 1.00 10.00 H new ATOM 0 HG2 LYS A 50 5.570 4.413 -0.188 1.00 10.00 H new ATOM 0 HG3 LYS A 50 5.812 5.918 -1.053 1.00 10.00 H new ATOM 0 HD2 LYS A 50 7.941 5.153 -0.159 1.00 10.00 H new ATOM 0 HD3 LYS A 50 7.481 6.639 0.649 1.00 10.00 H new ATOM 0 HE2 LYS A 50 6.621 5.301 2.582 1.00 10.00 H new ATOM 0 HE3 LYS A 50 7.132 3.831 1.777 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 8.697 4.545 3.447 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 9.410 4.565 1.907 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 8.934 6.020 2.640 1.00 10.00 H new ATOM 722 N THR A 51 3.213 6.710 3.546 1.00 10.00 N ATOM 723 CA THR A 51 3.240 7.383 4.857 1.00 10.00 C ATOM 724 C THR A 51 3.124 6.445 6.068 1.00 10.00 C ATOM 725 O THR A 51 3.665 6.749 7.128 1.00 10.00 O ATOM 726 CB THR A 51 2.282 8.586 4.891 1.00 10.00 C ATOM 727 OG1 THR A 51 2.930 9.620 4.180 1.00 10.00 O ATOM 728 CG2 THR A 51 2.008 9.135 6.293 1.00 10.00 C ATOM 0 H THR A 51 2.481 7.044 2.919 1.00 10.00 H new ATOM 0 HA THR A 51 4.247 7.784 4.968 1.00 10.00 H new ATOM 0 HB THR A 51 1.328 8.259 4.478 1.00 10.00 H new ATOM 0 HG1 THR A 51 2.304 10.360 4.037 1.00 10.00 H new ATOM 0 HG21 THR A 51 1.324 9.981 6.225 1.00 10.00 H new ATOM 0 HG22 THR A 51 1.560 8.355 6.908 1.00 10.00 H new ATOM 0 HG23 THR A 51 2.944 9.461 6.745 1.00 10.00 H new ATOM 736 N CYS A 52 2.506 5.273 5.916 1.00 10.00 N ATOM 737 CA CYS A 52 2.593 4.228 6.939 1.00 10.00 C ATOM 738 C CYS A 52 4.014 3.634 6.970 1.00 10.00 C ATOM 739 O CYS A 52 4.733 3.685 7.974 1.00 10.00 O ATOM 740 CB CYS A 52 1.534 3.208 6.634 1.00 10.00 C ATOM 741 SG CYS A 52 1.329 2.057 8.009 1.00 10.00 S ATOM 0 H CYS A 52 1.944 5.024 5.102 1.00 10.00 H new ATOM 0 HA CYS A 52 2.414 4.626 7.938 1.00 10.00 H new ATOM 0 HB2 CYS A 52 0.588 3.710 6.431 1.00 10.00 H new ATOM 0 HB3 CYS A 52 1.803 2.658 5.732 1.00 10.00 H new ATOM 0 HG CYS A 52 0.406 1.190 7.715 1.00 10.00 H new ATOM 746 N HIS A 53 4.480 3.209 5.795 1.00 10.00 N ATOM 747 CA HIS A 53 5.852 2.805 5.484 1.00 10.00 C ATOM 748 C HIS A 53 6.911 3.944 5.594 1.00 10.00 C ATOM 749 O HIS A 53 7.883 3.979 4.834 1.00 10.00 O ATOM 750 CB HIS A 53 5.805 2.228 4.062 1.00 10.00 C ATOM 751 CG HIS A 53 5.260 0.832 3.956 1.00 10.00 C ATOM 752 ND1 HIS A 53 6.027 -0.299 3.926 1.00 10.00 N ATOM 753 CD2 HIS A 53 3.954 0.442 3.842 1.00 10.00 C ATOM 754 CE1 HIS A 53 5.198 -1.354 3.826 1.00 10.00 C ATOM 755 NE2 HIS A 53 3.915 -0.965 3.768 1.00 10.00 N ATOM 0 H HIS A 53 3.869 3.133 4.982 1.00 10.00 H new ATOM 0 HA HIS A 53 6.185 2.078 6.225 1.00 10.00 H new ATOM 0 HB2 HIS A 53 5.198 2.886 3.440 1.00 10.00 H new ATOM 0 HB3 HIS A 53 6.814 2.240 3.649 1.00 10.00 H new ATOM 0 HD2 HIS A 53 3.098 1.100 3.814 1.00 10.00 H new ATOM 0 HE1 HIS A 53 5.524 -2.383 3.796 1.00 10.00 H new ATOM 0 HE2 HIS A 53 3.090 -1.559 3.688 1.00 10.00 H new ATOM 763 N LYS A 54 6.738 4.894 6.512 1.00 10.00 N ATOM 764 CA LYS A 54 7.686 5.945 6.871 1.00 10.00 C ATOM 765 C LYS A 54 8.088 5.790 8.341 1.00 10.00 C ATOM 766 O LYS A 54 9.274 5.794 8.658 1.00 10.00 O ATOM 767 CB LYS A 54 7.081 7.292 6.551 1.00 10.00 C ATOM 768 CG LYS A 54 7.142 7.461 5.033 1.00 10.00 C ATOM 769 CD LYS A 54 6.731 8.890 4.726 1.00 10.00 C ATOM 770 CE LYS A 54 6.291 9.073 3.259 1.00 10.00 C ATOM 771 NZ LYS A 54 5.299 10.161 3.073 1.00 10.00 N ATOM 0 H LYS A 54 5.878 4.953 7.058 1.00 10.00 H new ATOM 0 HA LYS A 54 8.602 5.863 6.287 1.00 10.00 H new ATOM 0 HB2 LYS A 54 6.051 7.346 6.904 1.00 10.00 H new ATOM 0 HB3 LYS A 54 7.631 8.090 7.050 1.00 10.00 H new ATOM 0 HG2 LYS A 54 8.148 7.262 4.663 1.00 10.00 H new ATOM 0 HG3 LYS A 54 6.475 6.754 4.540 1.00 10.00 H new ATOM 0 HD2 LYS A 54 5.914 9.180 5.386 1.00 10.00 H new ATOM 0 HD3 LYS A 54 7.565 9.559 4.938 1.00 10.00 H new ATOM 0 HE2 LYS A 54 7.169 9.283 2.648 1.00 10.00 H new ATOM 0 HE3 LYS A 54 5.866 8.138 2.895 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 5.007 10.198 2.075 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 4.467 9.978 3.670 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 5.726 11.070 3.343 1.00 10.00 H new ATOM 859 N LYS A 61 12.948 1.287 -0.391 1.00 10.00 N ATOM 860 CA LYS A 61 13.644 1.230 -1.672 1.00 10.00 C ATOM 861 C LYS A 61 12.779 0.543 -2.740 1.00 10.00 C ATOM 862 O LYS A 61 12.075 -0.423 -2.458 1.00 10.00 O ATOM 863 CB LYS A 61 14.998 0.525 -1.498 1.00 10.00 C ATOM 864 CG LYS A 61 15.906 0.553 -2.740 1.00 10.00 C ATOM 865 CD LYS A 61 16.446 1.964 -3.038 1.00 10.00 C ATOM 866 CE LYS A 61 17.235 2.040 -4.354 1.00 10.00 C ATOM 867 NZ LYS A 61 18.462 1.215 -4.328 1.00 10.00 N ATOM 0 HA LYS A 61 13.830 2.246 -2.019 1.00 10.00 H new ATOM 0 HB2 LYS A 61 15.529 0.989 -0.667 1.00 10.00 H new ATOM 0 HB3 LYS A 61 14.818 -0.514 -1.221 1.00 10.00 H new ATOM 0 HG2 LYS A 61 16.743 -0.130 -2.591 1.00 10.00 H new ATOM 0 HG3 LYS A 61 15.348 0.190 -3.603 1.00 10.00 H new ATOM 0 HD2 LYS A 61 15.612 2.665 -3.080 1.00 10.00 H new ATOM 0 HD3 LYS A 61 17.088 2.282 -2.217 1.00 10.00 H new ATOM 0 HE2 LYS A 61 16.598 1.712 -5.175 1.00 10.00 H new ATOM 0 HE3 LYS A 61 17.503 3.078 -4.554 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 18.957 1.301 -5.238 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 19.085 1.543 -3.563 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 18.208 0.220 -4.165 1.00 10.00 H new ATOM 881 N CYS A 62 12.854 1.049 -3.974 1.00 10.00 N ATOM 882 CA CYS A 62 12.021 0.651 -5.111 1.00 10.00 C ATOM 883 C CYS A 62 11.841 -0.869 -5.214 1.00 10.00 C ATOM 884 O CYS A 62 10.732 -1.377 -5.053 1.00 10.00 O ATOM 885 CB CYS A 62 12.575 1.233 -6.392 1.00 10.00 C ATOM 886 SG CYS A 62 13.152 2.954 -6.215 1.00 10.00 S ATOM 0 H CYS A 62 13.525 1.778 -4.218 1.00 10.00 H new ATOM 0 HA CYS A 62 11.024 1.058 -4.943 1.00 10.00 H new ATOM 0 HB2 CYS A 62 13.403 0.613 -6.736 1.00 10.00 H new ATOM 0 HB3 CYS A 62 11.806 1.193 -7.163 1.00 10.00 H new ATOM 0 HG CYS A 62 14.273 2.970 -5.558 1.00 10.00 H new ATOM 891 N GLY A 63 12.947 -1.595 -5.410 1.00 10.00 N ATOM 892 CA GLY A 63 12.964 -3.053 -5.541 1.00 10.00 C ATOM 893 C GLY A 63 12.663 -3.818 -4.243 1.00 10.00 C ATOM 894 O GLY A 63 12.692 -5.044 -4.228 1.00 10.00 O ATOM 0 H GLY A 63 13.874 -1.175 -5.483 1.00 10.00 H new ATOM 0 HA2 GLY A 63 12.234 -3.345 -6.296 1.00 10.00 H new ATOM 0 HA3 GLY A 63 13.943 -3.360 -5.909 1.00 10.00 H new ATOM 898 N GLY A 64 12.389 -3.105 -3.145 1.00 10.00 N ATOM 899 CA GLY A 64 11.836 -3.671 -1.923 1.00 10.00 C ATOM 900 C GLY A 64 10.307 -3.759 -1.987 1.00 10.00 C ATOM 901 O GLY A 64 9.720 -4.635 -1.358 1.00 10.00 O ATOM 0 H GLY A 64 12.551 -2.100 -3.086 1.00 10.00 H new ATOM 0 HA2 GLY A 64 12.252 -4.665 -1.760 1.00 10.00 H new ATOM 0 HA3 GLY A 64 12.131 -3.059 -1.071 1.00 10.00 H new ATOM 905 N CYS A 65 9.660 -2.848 -2.728 1.00 10.00 N ATOM 906 CA CYS A 65 8.202 -2.834 -2.895 1.00 10.00 C ATOM 907 C CYS A 65 7.811 -3.455 -4.240 1.00 10.00 C ATOM 908 O CYS A 65 6.933 -4.308 -4.304 1.00 10.00 O ATOM 909 CB CYS A 65 7.691 -1.426 -2.730 1.00 10.00 C ATOM 910 SG CYS A 65 5.882 -1.408 -2.508 1.00 10.00 S ATOM 0 H CYS A 65 10.136 -2.098 -3.230 1.00 10.00 H new ATOM 0 HA CYS A 65 7.732 -3.445 -2.125 1.00 10.00 H new ATOM 0 HB2 CYS A 65 8.171 -0.960 -1.870 1.00 10.00 H new ATOM 0 HB3 CYS A 65 7.959 -0.833 -3.605 1.00 10.00 H new ATOM 0 HG CYS A 65 5.474 -0.182 -2.367 1.00 10.00 H new ATOM 915 N HIS A 66 8.502 -3.068 -5.313 1.00 10.00 N ATOM 916 CA HIS A 66 8.368 -3.707 -6.612 1.00 10.00 C ATOM 917 C HIS A 66 9.138 -5.041 -6.662 1.00 10.00 C ATOM 918 O HIS A 66 10.299 -5.095 -6.263 1.00 10.00 O ATOM 919 CB HIS A 66 8.845 -2.729 -7.689 1.00 10.00 C ATOM 920 CG HIS A 66 7.982 -1.510 -7.779 1.00 10.00 C ATOM 921 ND1 HIS A 66 6.802 -1.486 -8.451 1.00 10.00 N ATOM 922 CD2 HIS A 66 8.131 -0.297 -7.163 1.00 10.00 C ATOM 923 CE1 HIS A 66 6.246 -0.284 -8.267 1.00 10.00 C ATOM 924 NE2 HIS A 66 7.013 0.498 -7.491 1.00 10.00 N ATOM 0 H HIS A 66 9.172 -2.299 -5.300 1.00 10.00 H new ATOM 0 HA HIS A 66 7.322 -3.953 -6.794 1.00 10.00 H new ATOM 0 HB2 HIS A 66 9.871 -2.429 -7.474 1.00 10.00 H new ATOM 0 HB3 HIS A 66 8.856 -3.234 -8.655 1.00 10.00 H new ATOM 0 HD1 HIS A 66 6.409 -2.251 -9.000 1.00 10.00 H new ATOM 0 HD2 HIS A 66 8.959 -0.001 -6.536 1.00 10.00 H new ATOM 0 HE1 HIS A 66 5.299 0.019 -8.689 1.00 10.00 H new ATOM 932 N ILE A 67 8.520 -6.100 -7.199 1.00 10.00 N ATOM 933 CA ILE A 67 9.228 -7.333 -7.565 1.00 10.00 C ATOM 934 C ILE A 67 10.305 -7.040 -8.628 1.00 10.00 C ATOM 935 O ILE A 67 10.412 -5.929 -9.145 1.00 10.00 O ATOM 936 CB ILE A 67 8.225 -8.417 -8.040 1.00 10.00 C ATOM 937 CG1 ILE A 67 7.061 -8.629 -7.055 1.00 10.00 C ATOM 938 CG2 ILE A 67 8.855 -9.797 -8.306 1.00 10.00 C ATOM 939 CD1 ILE A 67 7.501 -8.915 -5.613 1.00 10.00 C ATOM 0 H ILE A 67 7.519 -6.127 -7.392 1.00 10.00 H new ATOM 0 HA ILE A 67 9.736 -7.724 -6.683 1.00 10.00 H new ATOM 0 HB ILE A 67 7.860 -8.009 -8.982 1.00 10.00 H new ATOM 0 HG12 ILE A 67 6.429 -7.741 -7.061 1.00 10.00 H new ATOM 0 HG13 ILE A 67 6.448 -9.459 -7.407 1.00 10.00 H new ATOM 0 HG21 ILE A 67 8.082 -10.493 -8.634 1.00 10.00 H new ATOM 0 HG22 ILE A 67 9.615 -9.707 -9.082 1.00 10.00 H new ATOM 0 HG23 ILE A 67 9.314 -10.170 -7.390 1.00 10.00 H new ATOM 0 HD11 ILE A 67 6.621 -9.052 -4.984 1.00 10.00 H new ATOM 0 HD12 ILE A 67 8.107 -9.820 -5.590 1.00 10.00 H new ATOM 0 HD13 ILE A 67 8.088 -8.076 -5.238 1.00 10.00 H new ATOM 951 N LYS A 68 11.126 -8.041 -8.939 1.00 10.00 N ATOM 952 CA LYS A 68 12.072 -7.981 -10.042 1.00 10.00 C ATOM 953 C LYS A 68 11.405 -7.852 -11.424 1.00 10.00 C ATOM 954 O LYS A 68 12.179 -7.613 -12.382 1.00 10.00 O ATOM 955 CB LYS A 68 12.933 -9.252 -10.018 1.00 10.00 C ATOM 956 CG LYS A 68 14.429 -8.952 -10.191 1.00 10.00 C ATOM 957 CD LYS A 68 15.147 -10.019 -11.033 1.00 10.00 C ATOM 958 CE LYS A 68 15.238 -9.616 -12.515 1.00 10.00 C ATOM 959 NZ LYS A 68 13.910 -9.393 -13.127 1.00 10.00 N ATOM 960 OXT LYS A 68 10.187 -8.108 -11.531 1.00 10.00 O ATOM 0 H LYS A 68 11.151 -8.922 -8.426 1.00 10.00 H new ATOM 0 HA LYS A 68 12.671 -7.081 -9.901 1.00 10.00 H new ATOM 0 HB2 LYS A 68 12.777 -9.775 -9.074 1.00 10.00 H new ATOM 0 HB3 LYS A 68 12.606 -9.923 -10.812 1.00 10.00 H new ATOM 0 HG2 LYS A 68 14.549 -7.978 -10.665 1.00 10.00 H new ATOM 0 HG3 LYS A 68 14.900 -8.890 -9.210 1.00 10.00 H new ATOM 0 HD2 LYS A 68 16.150 -10.178 -10.638 1.00 10.00 H new ATOM 0 HD3 LYS A 68 14.616 -10.967 -10.947 1.00 10.00 H new ATOM 0 HE2 LYS A 68 15.832 -8.707 -12.604 1.00 10.00 H new ATOM 0 HE3 LYS A 68 15.762 -10.395 -13.068 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 14.027 -9.141 -14.129 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 13.343 -10.262 -13.053 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 13.424 -8.619 -12.630 1.00 10.00 H new