USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=18 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 45 HIS : no HE2:sc= 0.749 K(o=1.9,f=-1.6!) USER MOD Set 1.2: A 66 HIS : no HE2:sc= 1.15 K(o=1.9,f=-3.4!) USER MOD Set 2.1: A 20 HIS : no HD1:sc= -0.0525 K(o=-0.052,f=-1.5) USER MOD Set 2.2: A 53 HIS : no HE2:sc= 0 X(o=-0.052,f=-0.23) USER MOD Set 3.1: A 17 HIS : no HE2:sc= -0.175 X(o=-0.18,f=-0.028) USER MOD Set 3.2: A 30 HIS : no HD1:sc=-0.000591 X(o=-0.18,f=-0.35) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -1.08! C(o=-1.1!,f=-3.7!) USER MOD Single : A 12 ASN : amide:sc= -0.0586 K(o=-0.059,f=-6!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -110:sc= 0.112! (180deg=-4.25!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 170:sc= 0.897 USER MOD Single : A 46 LYS NZ :NH3+ -179:sc= 1.3 (180deg=1.29) USER MOD Single : A 49 CYS SG : rot 180:sc= -0.373 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 63:sc= 1.18 USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot -3:sc= 0.101 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 -9.065 -9.111 -0.673 1.00 10.00 N ATOM 14 CA ASP A 2 -8.033 -10.149 -0.632 1.00 10.00 C ATOM 15 C ASP A 2 -6.826 -9.663 -1.460 1.00 10.00 C ATOM 16 O ASP A 2 -6.937 -8.626 -2.110 1.00 10.00 O ATOM 17 CB ASP A 2 -8.623 -11.487 -1.115 1.00 10.00 C ATOM 18 CG ASP A 2 -7.728 -12.686 -0.827 1.00 10.00 C ATOM 19 OD1 ASP A 2 -6.678 -12.477 -0.180 1.00 10.00 O ATOM 20 OD2 ASP A 2 -8.115 -13.788 -1.263 1.00 10.00 O ATOM 0 HA ASP A 2 -7.680 -10.328 0.384 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -9.590 -11.642 -0.636 1.00 10.00 H new ATOM 0 HB3 ASP A 2 -8.804 -11.429 -2.188 1.00 10.00 H new ATOM 25 N VAL A 3 -5.681 -10.345 -1.396 1.00 10.00 N ATOM 26 CA VAL A 3 -4.398 -9.912 -1.961 1.00 10.00 C ATOM 27 C VAL A 3 -4.513 -9.479 -3.438 1.00 10.00 C ATOM 28 O VAL A 3 -4.696 -10.317 -4.319 1.00 10.00 O ATOM 29 CB VAL A 3 -3.341 -11.020 -1.776 1.00 10.00 C ATOM 30 CG1 VAL A 3 -1.974 -10.552 -2.289 1.00 10.00 C ATOM 31 CG2 VAL A 3 -3.176 -11.421 -0.301 1.00 10.00 C ATOM 0 H VAL A 3 -5.618 -11.251 -0.931 1.00 10.00 H new ATOM 0 HA VAL A 3 -4.079 -9.025 -1.414 1.00 10.00 H new ATOM 0 HB VAL A 3 -3.695 -11.880 -2.345 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -1.242 -11.347 -2.150 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -2.047 -10.307 -3.349 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.660 -9.668 -1.734 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -2.422 -12.204 -0.219 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -2.863 -10.553 0.279 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -4.126 -11.791 0.084 1.00 10.00 H new ATOM 41 N VAL A 4 -4.381 -8.174 -3.718 1.00 10.00 N ATOM 42 CA VAL A 4 -4.549 -7.624 -5.069 1.00 10.00 C ATOM 43 C VAL A 4 -3.194 -7.375 -5.751 1.00 10.00 C ATOM 44 O VAL A 4 -2.450 -6.471 -5.369 1.00 10.00 O ATOM 45 CB VAL A 4 -5.394 -6.334 -5.052 1.00 10.00 C ATOM 46 CG1 VAL A 4 -5.754 -5.908 -6.482 1.00 10.00 C ATOM 47 CG2 VAL A 4 -6.687 -6.488 -4.246 1.00 10.00 C ATOM 0 H VAL A 4 -4.155 -7.471 -3.014 1.00 10.00 H new ATOM 0 HA VAL A 4 -5.086 -8.372 -5.653 1.00 10.00 H new ATOM 0 HB VAL A 4 -4.781 -5.572 -4.571 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -6.350 -4.996 -6.451 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -4.841 -5.725 -7.048 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -6.327 -6.700 -6.964 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -7.243 -5.551 -4.267 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -7.295 -7.281 -4.682 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -6.444 -6.743 -3.214 1.00 10.00 H new ATOM 57 N THR A 5 -2.883 -8.139 -6.800 1.00 10.00 N ATOM 58 CA THR A 5 -1.780 -7.829 -7.714 1.00 10.00 C ATOM 59 C THR A 5 -1.962 -6.467 -8.387 1.00 10.00 C ATOM 60 O THR A 5 -2.963 -6.224 -9.055 1.00 10.00 O ATOM 61 CB THR A 5 -1.636 -8.946 -8.768 1.00 10.00 C ATOM 62 OG1 THR A 5 -0.779 -9.941 -8.266 1.00 10.00 O ATOM 63 CG2 THR A 5 -1.014 -8.499 -10.093 1.00 10.00 C ATOM 0 H THR A 5 -3.389 -8.991 -7.041 1.00 10.00 H new ATOM 0 HA THR A 5 -0.864 -7.775 -7.126 1.00 10.00 H new ATOM 0 HB THR A 5 -2.653 -9.286 -8.961 1.00 10.00 H new ATOM 0 HG1 THR A 5 -0.684 -10.656 -8.930 1.00 10.00 H new ATOM 0 HG21 THR A 5 -0.953 -9.350 -10.772 1.00 10.00 H new ATOM 0 HG22 THR A 5 -1.632 -7.721 -10.541 1.00 10.00 H new ATOM 0 HG23 THR A 5 -0.013 -8.107 -9.911 1.00 10.00 H new ATOM 71 N TYR A 6 -0.935 -5.621 -8.271 1.00 10.00 N ATOM 72 CA TYR A 6 -0.658 -4.560 -9.229 1.00 10.00 C ATOM 73 C TYR A 6 0.599 -4.943 -10.005 1.00 10.00 C ATOM 74 O TYR A 6 1.702 -4.832 -9.468 1.00 10.00 O ATOM 75 CB TYR A 6 -0.463 -3.227 -8.511 1.00 10.00 C ATOM 76 CG TYR A 6 -1.748 -2.446 -8.338 1.00 10.00 C ATOM 77 CD1 TYR A 6 -2.776 -2.937 -7.512 1.00 10.00 C ATOM 78 CD2 TYR A 6 -1.902 -1.209 -8.982 1.00 10.00 C ATOM 79 CE1 TYR A 6 -3.923 -2.156 -7.279 1.00 10.00 C ATOM 80 CE2 TYR A 6 -2.989 -0.383 -8.656 1.00 10.00 C ATOM 81 CZ TYR A 6 -4.014 -0.865 -7.827 1.00 10.00 C ATOM 82 OH TYR A 6 -5.015 -0.023 -7.457 1.00 10.00 O ATOM 0 H TYR A 6 -0.269 -5.658 -7.500 1.00 10.00 H new ATOM 0 HA TYR A 6 -1.498 -4.442 -9.913 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -0.023 -3.411 -7.531 1.00 10.00 H new ATOM 0 HB3 TYR A 6 0.249 -2.621 -9.071 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -2.685 -3.912 -7.057 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -1.186 -0.893 -9.726 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -4.732 -2.548 -6.680 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -3.037 0.624 -9.043 1.00 10.00 H new ATOM 0 HH TYR A 6 -4.921 0.827 -7.935 1.00 10.00 H new ATOM 92 N GLU A 7 0.404 -5.418 -11.234 1.00 10.00 N ATOM 93 CA GLU A 7 1.420 -5.659 -12.250 1.00 10.00 C ATOM 94 C GLU A 7 1.753 -4.351 -12.987 1.00 10.00 C ATOM 95 O GLU A 7 0.870 -3.697 -13.536 1.00 10.00 O ATOM 96 CB GLU A 7 0.923 -6.749 -13.216 1.00 10.00 C ATOM 97 CG GLU A 7 -0.592 -6.740 -13.451 1.00 10.00 C ATOM 98 CD GLU A 7 -0.985 -7.527 -14.694 1.00 10.00 C ATOM 99 OE1 GLU A 7 -0.749 -8.754 -14.669 1.00 10.00 O ATOM 100 OE2 GLU A 7 -1.506 -6.892 -15.634 1.00 10.00 O ATOM 0 H GLU A 7 -0.530 -5.660 -11.565 1.00 10.00 H new ATOM 0 HA GLU A 7 2.339 -6.011 -11.782 1.00 10.00 H new ATOM 0 HB2 GLU A 7 1.428 -6.627 -14.174 1.00 10.00 H new ATOM 0 HB3 GLU A 7 1.213 -7.724 -12.825 1.00 10.00 H new ATOM 0 HG2 GLU A 7 -1.096 -7.162 -12.581 1.00 10.00 H new ATOM 0 HG3 GLU A 7 -0.937 -5.711 -13.550 1.00 10.00 H new ATOM 107 N ASN A 8 3.029 -3.946 -12.961 1.00 10.00 N ATOM 108 CA ASN A 8 3.485 -2.644 -13.442 1.00 10.00 C ATOM 109 C ASN A 8 4.849 -2.830 -14.109 1.00 10.00 C ATOM 110 O ASN A 8 5.630 -3.671 -13.665 1.00 10.00 O ATOM 111 CB ASN A 8 3.590 -1.638 -12.274 1.00 10.00 C ATOM 112 CG ASN A 8 2.718 -2.036 -11.090 1.00 10.00 C ATOM 113 OD1 ASN A 8 1.507 -1.870 -11.096 1.00 10.00 O ATOM 114 ND2 ASN A 8 3.304 -2.664 -10.082 1.00 10.00 N ATOM 0 H ASN A 8 3.784 -4.528 -12.598 1.00 10.00 H new ATOM 0 HA ASN A 8 2.769 -2.244 -14.160 1.00 10.00 H new ATOM 0 HB2 ASN A 8 4.628 -1.567 -11.950 1.00 10.00 H new ATOM 0 HB3 ASN A 8 3.296 -0.648 -12.622 1.00 10.00 H new ATOM 0 HD21 ASN A 8 2.744 -3.013 -9.304 1.00 10.00 H new ATOM 0 HD22 ASN A 8 4.315 -2.799 -10.084 1.00 10.00 H new ATOM 121 N ALA A 9 5.165 -2.030 -15.131 1.00 10.00 N ATOM 122 CA ALA A 9 6.442 -2.107 -15.845 1.00 10.00 C ATOM 123 C ALA A 9 7.666 -2.013 -14.914 1.00 10.00 C ATOM 124 O ALA A 9 8.724 -2.565 -15.207 1.00 10.00 O ATOM 125 CB ALA A 9 6.475 -1.007 -16.905 1.00 10.00 C ATOM 0 H ALA A 9 4.539 -1.308 -15.488 1.00 10.00 H new ATOM 0 HA ALA A 9 6.507 -3.089 -16.314 1.00 10.00 H new ATOM 0 HB1 ALA A 9 7.420 -1.051 -17.446 1.00 10.00 H new ATOM 0 HB2 ALA A 9 5.650 -1.150 -17.603 1.00 10.00 H new ATOM 0 HB3 ALA A 9 6.378 -0.034 -16.423 1.00 10.00 H new ATOM 131 N ALA A 10 7.513 -1.332 -13.774 1.00 10.00 N ATOM 132 CA ALA A 10 8.550 -1.183 -12.755 1.00 10.00 C ATOM 133 C ALA A 10 8.787 -2.446 -11.906 1.00 10.00 C ATOM 134 O ALA A 10 9.751 -2.493 -11.146 1.00 10.00 O ATOM 135 CB ALA A 10 8.160 -0.007 -11.858 1.00 10.00 C ATOM 0 H ALA A 10 6.643 -0.859 -13.531 1.00 10.00 H new ATOM 0 HA ALA A 10 9.495 -1.004 -13.268 1.00 10.00 H new ATOM 0 HB1 ALA A 10 8.917 0.129 -11.086 1.00 10.00 H new ATOM 0 HB2 ALA A 10 8.087 0.900 -12.458 1.00 10.00 H new ATOM 0 HB3 ALA A 10 7.197 -0.210 -11.390 1.00 10.00 H new ATOM 141 N GLY A 11 7.894 -3.439 -11.991 1.00 10.00 N ATOM 142 CA GLY A 11 7.851 -4.601 -11.107 1.00 10.00 C ATOM 143 C GLY A 11 6.485 -4.663 -10.427 1.00 10.00 C ATOM 144 O GLY A 11 5.975 -3.631 -9.977 1.00 10.00 O ATOM 0 H GLY A 11 7.161 -3.453 -12.700 1.00 10.00 H new ATOM 0 HA2 GLY A 11 8.029 -5.513 -11.677 1.00 10.00 H new ATOM 0 HA3 GLY A 11 8.641 -4.533 -10.359 1.00 10.00 H new ATOM 148 N ASN A 12 5.862 -5.841 -10.342 1.00 10.00 N ATOM 149 CA ASN A 12 4.599 -5.960 -9.620 1.00 10.00 C ATOM 150 C ASN A 12 4.824 -5.691 -8.131 1.00 10.00 C ATOM 151 O ASN A 12 5.940 -5.868 -7.645 1.00 10.00 O ATOM 152 CB ASN A 12 3.864 -7.300 -9.798 1.00 10.00 C ATOM 153 CG ASN A 12 4.108 -8.053 -11.107 1.00 10.00 C ATOM 154 OD1 ASN A 12 5.178 -8.002 -11.703 1.00 10.00 O ATOM 155 ND2 ASN A 12 3.121 -8.808 -11.564 1.00 10.00 N ATOM 0 H ASN A 12 6.205 -6.708 -10.756 1.00 10.00 H new ATOM 0 HA ASN A 12 3.945 -5.210 -10.064 1.00 10.00 H new ATOM 0 HB2 ASN A 12 4.146 -7.954 -8.973 1.00 10.00 H new ATOM 0 HB3 ASN A 12 2.794 -7.115 -9.707 1.00 10.00 H new ATOM 0 HD21 ASN A 12 3.248 -9.352 -12.417 1.00 10.00 H new ATOM 0 HD22 ASN A 12 2.233 -8.845 -11.063 1.00 10.00 H new ATOM 162 N VAL A 13 3.778 -5.259 -7.424 1.00 10.00 N ATOM 163 CA VAL A 13 3.899 -4.795 -6.037 1.00 10.00 C ATOM 164 C VAL A 13 3.119 -5.614 -5.003 1.00 10.00 C ATOM 165 O VAL A 13 3.647 -5.885 -3.929 1.00 10.00 O ATOM 166 CB VAL A 13 3.653 -3.283 -5.949 1.00 10.00 C ATOM 167 CG1 VAL A 13 2.343 -2.875 -6.607 1.00 10.00 C ATOM 168 CG2 VAL A 13 3.597 -2.804 -4.498 1.00 10.00 C ATOM 0 H VAL A 13 2.828 -5.220 -7.792 1.00 10.00 H new ATOM 0 HA VAL A 13 4.932 -4.980 -5.744 1.00 10.00 H new ATOM 0 HB VAL A 13 4.492 -2.823 -6.472 1.00 10.00 H new ATOM 0 HG11 VAL A 13 2.212 -1.796 -6.520 1.00 10.00 H new ATOM 0 HG12 VAL A 13 2.363 -3.154 -7.661 1.00 10.00 H new ATOM 0 HG13 VAL A 13 1.514 -3.382 -6.113 1.00 10.00 H new ATOM 0 HG21 VAL A 13 3.421 -1.728 -4.476 1.00 10.00 H new ATOM 0 HG22 VAL A 13 2.787 -3.314 -3.977 1.00 10.00 H new ATOM 0 HG23 VAL A 13 4.543 -3.027 -4.004 1.00 10.00 H new ATOM 178 N THR A 14 1.876 -5.999 -5.307 1.00 10.00 N ATOM 179 CA THR A 14 1.022 -6.787 -4.423 1.00 10.00 C ATOM 180 C THR A 14 0.515 -5.958 -3.228 1.00 10.00 C ATOM 181 O THR A 14 1.264 -5.529 -2.355 1.00 10.00 O ATOM 182 CB THR A 14 1.663 -8.149 -4.076 1.00 10.00 C ATOM 183 OG1 THR A 14 1.308 -9.086 -5.075 1.00 10.00 O ATOM 184 CG2 THR A 14 1.227 -8.709 -2.727 1.00 10.00 C ATOM 0 H THR A 14 1.429 -5.765 -6.194 1.00 10.00 H new ATOM 0 HA THR A 14 0.111 -7.053 -4.959 1.00 10.00 H new ATOM 0 HB THR A 14 2.739 -7.982 -4.024 1.00 10.00 H new ATOM 0 HG1 THR A 14 1.711 -9.955 -4.867 1.00 10.00 H new ATOM 0 HG21 THR A 14 1.719 -9.666 -2.554 1.00 10.00 H new ATOM 0 HG22 THR A 14 1.504 -8.011 -1.937 1.00 10.00 H new ATOM 0 HG23 THR A 14 0.146 -8.851 -2.724 1.00 10.00 H new ATOM 192 N PHE A 15 -0.788 -5.671 -3.247 1.00 10.00 N ATOM 193 CA PHE A 15 -1.521 -4.981 -2.186 1.00 10.00 C ATOM 194 C PHE A 15 -2.187 -6.023 -1.272 1.00 10.00 C ATOM 195 O PHE A 15 -3.244 -6.566 -1.614 1.00 10.00 O ATOM 196 CB PHE A 15 -2.613 -4.088 -2.797 1.00 10.00 C ATOM 197 CG PHE A 15 -2.222 -2.809 -3.515 1.00 10.00 C ATOM 198 CD1 PHE A 15 -1.009 -2.693 -4.221 1.00 10.00 C ATOM 199 CD2 PHE A 15 -3.217 -1.829 -3.693 1.00 10.00 C ATOM 200 CE1 PHE A 15 -0.809 -1.627 -5.111 1.00 10.00 C ATOM 201 CE2 PHE A 15 -3.008 -0.755 -4.574 1.00 10.00 C ATOM 202 CZ PHE A 15 -1.808 -0.663 -5.291 1.00 10.00 C ATOM 0 H PHE A 15 -1.385 -5.924 -4.035 1.00 10.00 H new ATOM 0 HA PHE A 15 -0.826 -4.366 -1.614 1.00 10.00 H new ATOM 0 HB2 PHE A 15 -3.176 -4.699 -3.503 1.00 10.00 H new ATOM 0 HB3 PHE A 15 -3.298 -3.815 -1.994 1.00 10.00 H new ATOM 0 HD1 PHE A 15 -0.230 -3.427 -4.077 1.00 10.00 H new ATOM 0 HD2 PHE A 15 -4.147 -1.903 -3.149 1.00 10.00 H new ATOM 0 HE1 PHE A 15 0.119 -1.550 -5.659 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -3.771 -0.001 -4.698 1.00 10.00 H new ATOM 0 HZ PHE A 15 -1.654 0.152 -5.983 1.00 10.00 H new ATOM 212 N ASP A 16 -1.603 -6.302 -0.104 1.00 10.00 N ATOM 213 CA ASP A 16 -2.028 -7.418 0.724 1.00 10.00 C ATOM 214 C ASP A 16 -3.200 -6.993 1.601 1.00 10.00 C ATOM 215 O ASP A 16 -3.031 -6.776 2.799 1.00 10.00 O ATOM 216 CB ASP A 16 -0.838 -7.952 1.530 1.00 10.00 C ATOM 217 CG ASP A 16 0.407 -8.053 0.682 1.00 10.00 C ATOM 218 OD1 ASP A 16 1.035 -6.983 0.524 1.00 10.00 O ATOM 219 OD2 ASP A 16 0.661 -9.170 0.188 1.00 10.00 O ATOM 0 H ASP A 16 -0.830 -5.763 0.286 1.00 10.00 H new ATOM 0 HA ASP A 16 -2.380 -8.239 0.100 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -0.648 -7.295 2.379 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -1.083 -8.934 1.935 1.00 10.00 H new ATOM 224 N HIS A 17 -4.374 -6.845 0.983 1.00 10.00 N ATOM 225 CA HIS A 17 -5.617 -6.451 1.644 1.00 10.00 C ATOM 226 C HIS A 17 -5.777 -7.174 2.990 1.00 10.00 C ATOM 227 O HIS A 17 -5.897 -6.549 4.042 1.00 10.00 O ATOM 228 CB HIS A 17 -6.801 -6.749 0.697 1.00 10.00 C ATOM 229 CG HIS A 17 -7.629 -5.548 0.330 1.00 10.00 C ATOM 230 ND1 HIS A 17 -8.089 -5.217 -0.923 1.00 10.00 N ATOM 231 CD2 HIS A 17 -8.009 -4.553 1.181 1.00 10.00 C ATOM 232 CE1 HIS A 17 -8.706 -4.025 -0.816 1.00 10.00 C ATOM 233 NE2 HIS A 17 -8.660 -3.557 0.447 1.00 10.00 N ATOM 0 H HIS A 17 -4.488 -7.001 -0.019 1.00 10.00 H new ATOM 0 HA HIS A 17 -5.594 -5.383 1.860 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -6.413 -7.199 -0.217 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -7.448 -7.489 1.168 1.00 10.00 H new ATOM 0 HD1 HIS A 17 -7.983 -5.770 -1.773 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -7.836 -4.537 2.247 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -9.178 -3.509 -1.639 1.00 10.00 H new ATOM 241 N LYS A 18 -5.728 -8.507 2.925 1.00 10.00 N ATOM 242 CA LYS A 18 -5.867 -9.434 4.028 1.00 10.00 C ATOM 243 C LYS A 18 -4.721 -9.249 5.038 1.00 10.00 C ATOM 244 O LYS A 18 -4.957 -8.805 6.157 1.00 10.00 O ATOM 245 CB LYS A 18 -5.972 -10.839 3.398 1.00 10.00 C ATOM 246 CG LYS A 18 -6.659 -11.904 4.260 1.00 10.00 C ATOM 247 CD LYS A 18 -5.656 -12.663 5.132 1.00 10.00 C ATOM 248 CE LYS A 18 -6.393 -13.707 5.978 1.00 10.00 C ATOM 249 NZ LYS A 18 -5.469 -14.391 6.904 1.00 10.00 N ATOM 0 H LYS A 18 -5.580 -8.989 2.038 1.00 10.00 H new ATOM 0 HA LYS A 18 -6.763 -9.260 4.624 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -6.514 -10.755 2.456 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -4.967 -11.185 3.158 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -7.407 -11.430 4.895 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -7.187 -12.608 3.616 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -4.910 -13.150 4.505 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -5.123 -11.967 5.779 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -7.189 -13.224 6.545 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -6.867 -14.440 5.325 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -5.336 -15.376 6.597 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -4.551 -13.902 6.903 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -5.867 -14.378 7.865 1.00 10.00 H new ATOM 263 N ALA A 19 -3.474 -9.542 4.651 1.00 10.00 N ATOM 264 CA ALA A 19 -2.329 -9.517 5.566 1.00 10.00 C ATOM 265 C ALA A 19 -2.126 -8.154 6.240 1.00 10.00 C ATOM 266 O ALA A 19 -1.951 -8.089 7.458 1.00 10.00 O ATOM 267 CB ALA A 19 -1.062 -9.943 4.823 1.00 10.00 C ATOM 0 H ALA A 19 -3.231 -9.803 3.695 1.00 10.00 H new ATOM 0 HA ALA A 19 -2.544 -10.225 6.367 1.00 10.00 H new ATOM 0 HB1 ALA A 19 -0.214 -9.923 5.508 1.00 10.00 H new ATOM 0 HB2 ALA A 19 -1.190 -10.953 4.435 1.00 10.00 H new ATOM 0 HB3 ALA A 19 -0.877 -9.257 3.996 1.00 10.00 H new ATOM 273 N HIS A 20 -2.178 -7.056 5.469 1.00 10.00 N ATOM 274 CA HIS A 20 -2.171 -5.726 6.068 1.00 10.00 C ATOM 275 C HIS A 20 -3.311 -5.607 7.080 1.00 10.00 C ATOM 276 O HIS A 20 -3.058 -5.306 8.242 1.00 10.00 O ATOM 277 CB HIS A 20 -2.308 -4.605 5.033 1.00 10.00 C ATOM 278 CG HIS A 20 -1.077 -4.265 4.235 1.00 10.00 C ATOM 279 ND1 HIS A 20 -0.813 -4.720 2.970 1.00 10.00 N ATOM 280 CD2 HIS A 20 -0.165 -3.279 4.520 1.00 10.00 C ATOM 281 CE1 HIS A 20 0.252 -4.038 2.515 1.00 10.00 C ATOM 282 NE2 HIS A 20 0.689 -3.140 3.421 1.00 10.00 N ATOM 0 H HIS A 20 -2.224 -7.068 4.450 1.00 10.00 H new ATOM 0 HA HIS A 20 -1.204 -5.608 6.557 1.00 10.00 H new ATOM 0 HB2 HIS A 20 -3.099 -4.881 4.336 1.00 10.00 H new ATOM 0 HB3 HIS A 20 -2.638 -3.704 5.550 1.00 10.00 H new ATOM 0 HD2 HIS A 20 -0.116 -2.709 5.436 1.00 10.00 H new ATOM 0 HE1 HIS A 20 0.702 -4.190 1.545 1.00 10.00 H new ATOM 0 HE2 HIS A 20 1.475 -2.497 3.325 1.00 10.00 H new ATOM 290 N ALA A 21 -4.561 -5.843 6.659 1.00 10.00 N ATOM 291 CA ALA A 21 -5.712 -5.704 7.547 1.00 10.00 C ATOM 292 C ALA A 21 -5.573 -6.488 8.855 1.00 10.00 C ATOM 293 O ALA A 21 -5.861 -5.953 9.922 1.00 10.00 O ATOM 294 CB ALA A 21 -6.999 -6.080 6.819 1.00 10.00 C ATOM 0 H ALA A 21 -4.796 -6.131 5.709 1.00 10.00 H new ATOM 0 HA ALA A 21 -5.756 -4.653 7.832 1.00 10.00 H new ATOM 0 HB1 ALA A 21 -7.846 -5.970 7.497 1.00 10.00 H new ATOM 0 HB2 ALA A 21 -7.135 -5.425 5.959 1.00 10.00 H new ATOM 0 HB3 ALA A 21 -6.937 -7.114 6.481 1.00 10.00 H new ATOM 300 N GLU A 22 -5.105 -7.735 8.786 1.00 10.00 N ATOM 301 CA GLU A 22 -4.866 -8.554 9.967 1.00 10.00 C ATOM 302 C GLU A 22 -3.931 -7.871 10.989 1.00 10.00 C ATOM 303 O GLU A 22 -4.174 -7.947 12.191 1.00 10.00 O ATOM 304 CB GLU A 22 -4.346 -9.931 9.533 1.00 10.00 C ATOM 305 CG GLU A 22 -5.429 -10.742 8.816 1.00 10.00 C ATOM 306 CD GLU A 22 -5.056 -12.201 8.647 1.00 10.00 C ATOM 307 OE1 GLU A 22 -4.064 -12.481 7.937 1.00 10.00 O ATOM 308 OE2 GLU A 22 -5.845 -13.077 9.066 1.00 10.00 O ATOM 0 H GLU A 22 -4.882 -8.203 7.907 1.00 10.00 H new ATOM 0 HA GLU A 22 -5.813 -8.684 10.491 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.488 -9.805 8.873 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -3.998 -10.481 10.407 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -6.360 -10.673 9.378 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -5.615 -10.304 7.836 1.00 10.00 H new ATOM 315 N LYS A 23 -2.868 -7.199 10.527 1.00 10.00 N ATOM 316 CA LYS A 23 -1.945 -6.455 11.384 1.00 10.00 C ATOM 317 C LYS A 23 -2.452 -5.053 11.762 1.00 10.00 C ATOM 318 O LYS A 23 -2.157 -4.551 12.845 1.00 10.00 O ATOM 319 CB LYS A 23 -0.590 -6.352 10.666 1.00 10.00 C ATOM 320 CG LYS A 23 0.547 -6.618 11.651 1.00 10.00 C ATOM 321 CD LYS A 23 1.916 -6.548 10.957 1.00 10.00 C ATOM 322 CE LYS A 23 3.035 -6.839 11.967 1.00 10.00 C ATOM 323 NZ LYS A 23 4.367 -6.843 11.324 1.00 10.00 N ATOM 0 H LYS A 23 -2.625 -7.158 9.537 1.00 10.00 H new ATOM 0 HA LYS A 23 -1.853 -7.001 12.323 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -0.548 -7.070 9.847 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -0.477 -5.361 10.227 1.00 10.00 H new ATOM 0 HG2 LYS A 23 0.509 -5.888 12.459 1.00 10.00 H new ATOM 0 HG3 LYS A 23 0.416 -7.601 12.103 1.00 10.00 H new ATOM 0 HD2 LYS A 23 1.956 -7.269 10.141 1.00 10.00 H new ATOM 0 HD3 LYS A 23 2.060 -5.561 10.518 1.00 10.00 H new ATOM 0 HE2 LYS A 23 3.015 -6.089 12.758 1.00 10.00 H new ATOM 0 HE3 LYS A 23 2.856 -7.805 12.439 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 5.096 -7.043 12.038 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 4.394 -7.576 10.586 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 4.548 -5.913 10.895 1.00 10.00 H new ATOM 337 N LEU A 24 -3.143 -4.403 10.826 1.00 10.00 N ATOM 338 CA LEU A 24 -3.527 -2.997 10.838 1.00 10.00 C ATOM 339 C LEU A 24 -5.041 -2.854 11.046 1.00 10.00 C ATOM 340 O LEU A 24 -5.502 -2.674 12.169 1.00 10.00 O ATOM 341 CB LEU A 24 -3.019 -2.356 9.542 1.00 10.00 C ATOM 342 CG LEU A 24 -1.485 -2.290 9.463 1.00 10.00 C ATOM 343 CD1 LEU A 24 -1.069 -2.142 8.000 1.00 10.00 C ATOM 344 CD2 LEU A 24 -0.924 -1.117 10.276 1.00 10.00 C ATOM 0 H LEU A 24 -3.470 -4.879 9.985 1.00 10.00 H new ATOM 0 HA LEU A 24 -3.071 -2.469 11.675 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -3.397 -2.923 8.691 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -3.425 -1.348 9.459 1.00 10.00 H new ATOM 0 HG LEU A 24 -1.081 -3.210 9.885 1.00 10.00 H new ATOM 0 HD11 LEU A 24 0.018 -2.094 7.934 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -1.430 -2.999 7.431 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -1.498 -1.227 7.591 1.00 10.00 H new ATOM 0 HD21 LEU A 24 0.163 -1.105 10.195 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -1.327 -0.181 9.890 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -1.208 -1.230 11.322 1.00 10.00 H new ATOM 356 N GLY A 25 -5.817 -2.914 9.963 1.00 10.00 N ATOM 357 CA GLY A 25 -7.261 -2.891 9.969 1.00 10.00 C ATOM 358 C GLY A 25 -7.723 -2.448 8.585 1.00 10.00 C ATOM 359 O GLY A 25 -6.991 -2.552 7.599 1.00 10.00 O ATOM 0 H GLY A 25 -5.429 -2.983 9.022 1.00 10.00 H new ATOM 0 HA2 GLY A 25 -7.658 -3.878 10.207 1.00 10.00 H new ATOM 0 HA3 GLY A 25 -7.629 -2.206 10.733 1.00 10.00 H new ATOM 363 N CYS A 26 -8.920 -1.890 8.537 1.00 10.00 N ATOM 364 CA CYS A 26 -9.459 -1.203 7.364 1.00 10.00 C ATOM 365 C CYS A 26 -9.255 0.297 7.554 1.00 10.00 C ATOM 366 O CYS A 26 -8.680 0.964 6.698 1.00 10.00 O ATOM 367 CB CYS A 26 -10.909 -1.549 7.144 1.00 10.00 C ATOM 368 SG CYS A 26 -11.252 -3.327 7.350 1.00 10.00 S ATOM 0 H CYS A 26 -9.564 -1.899 9.328 1.00 10.00 H new ATOM 0 HA CYS A 26 -8.931 -1.529 6.468 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -11.523 -0.982 7.844 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -11.203 -1.241 6.140 1.00 10.00 H new ATOM 0 HG CYS A 26 -12.517 -3.551 7.149 1.00 10.00 H new ATOM 373 N ASP A 27 -9.656 0.784 8.728 1.00 10.00 N ATOM 374 CA ASP A 27 -9.428 2.103 9.308 1.00 10.00 C ATOM 375 C ASP A 27 -8.018 2.611 8.971 1.00 10.00 C ATOM 376 O ASP A 27 -7.819 3.707 8.453 1.00 10.00 O ATOM 377 CB ASP A 27 -9.626 1.978 10.833 1.00 10.00 C ATOM 378 CG ASP A 27 -10.840 1.146 11.224 1.00 10.00 C ATOM 379 OD1 ASP A 27 -10.778 -0.075 10.943 1.00 10.00 O ATOM 380 OD2 ASP A 27 -11.790 1.738 11.775 1.00 10.00 O ATOM 0 H ASP A 27 -10.206 0.202 9.360 1.00 10.00 H new ATOM 0 HA ASP A 27 -10.130 2.828 8.896 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -8.734 1.531 11.271 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -9.726 2.975 11.261 1.00 10.00 H new ATOM 385 N ALA A 28 -7.041 1.739 9.235 1.00 10.00 N ATOM 386 CA ALA A 28 -5.628 1.879 8.919 1.00 10.00 C ATOM 387 C ALA A 28 -5.329 2.423 7.504 1.00 10.00 C ATOM 388 O ALA A 28 -4.337 3.127 7.328 1.00 10.00 O ATOM 389 CB ALA A 28 -4.978 0.508 9.126 1.00 10.00 C ATOM 0 H ALA A 28 -7.237 0.857 9.708 1.00 10.00 H new ATOM 0 HA ALA A 28 -5.210 2.635 9.585 1.00 10.00 H new ATOM 0 HB1 ALA A 28 -3.914 0.572 8.898 1.00 10.00 H new ATOM 0 HB2 ALA A 28 -5.109 0.196 10.162 1.00 10.00 H new ATOM 0 HB3 ALA A 28 -5.447 -0.221 8.465 1.00 10.00 H new ATOM 395 N CYS A 29 -6.150 2.088 6.499 1.00 10.00 N ATOM 396 CA CYS A 29 -5.987 2.530 5.109 1.00 10.00 C ATOM 397 C CYS A 29 -7.165 3.385 4.611 1.00 10.00 C ATOM 398 O CYS A 29 -7.036 4.094 3.616 1.00 10.00 O ATOM 399 CB CYS A 29 -5.857 1.321 4.222 1.00 10.00 C ATOM 400 SG CYS A 29 -4.215 0.525 4.325 1.00 10.00 S ATOM 0 H CYS A 29 -6.964 1.488 6.634 1.00 10.00 H new ATOM 0 HA CYS A 29 -5.092 3.151 5.070 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -6.623 0.595 4.494 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -6.047 1.614 3.189 1.00 10.00 H new ATOM 0 HG CYS A 29 -4.183 -0.507 3.536 1.00 10.00 H new ATOM 405 N HIS A 30 -8.330 3.274 5.248 1.00 10.00 N ATOM 406 CA HIS A 30 -9.601 3.774 4.770 1.00 10.00 C ATOM 407 C HIS A 30 -10.279 4.627 5.850 1.00 10.00 C ATOM 408 O HIS A 30 -10.547 4.128 6.940 1.00 10.00 O ATOM 409 CB HIS A 30 -10.455 2.538 4.463 1.00 10.00 C ATOM 410 CG HIS A 30 -10.074 1.748 3.246 1.00 10.00 C ATOM 411 ND1 HIS A 30 -10.248 2.146 1.947 1.00 10.00 N ATOM 412 CD2 HIS A 30 -9.758 0.422 3.221 1.00 10.00 C ATOM 413 CE1 HIS A 30 -9.996 1.083 1.156 1.00 10.00 C ATOM 414 NE2 HIS A 30 -9.698 -0.004 1.882 1.00 10.00 N ATOM 0 H HIS A 30 -8.408 2.810 6.153 1.00 10.00 H new ATOM 0 HA HIS A 30 -9.474 4.403 3.889 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -10.417 1.874 5.327 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -11.491 2.858 4.352 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -9.583 -0.199 4.087 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -10.030 1.105 0.077 1.00 10.00 H new ATOM 0 HE2 HIS A 30 -9.476 -0.938 1.538 1.00 10.00 H new ATOM 422 N GLU A 31 -10.619 5.883 5.544 1.00 10.00 N ATOM 423 CA GLU A 31 -11.240 6.787 6.504 1.00 10.00 C ATOM 424 C GLU A 31 -12.677 6.365 6.879 1.00 10.00 C ATOM 425 O GLU A 31 -13.661 6.930 6.402 1.00 10.00 O ATOM 426 CB GLU A 31 -11.172 8.225 5.971 1.00 10.00 C ATOM 427 CG GLU A 31 -9.720 8.702 5.794 1.00 10.00 C ATOM 428 CD GLU A 31 -9.631 10.177 5.420 1.00 10.00 C ATOM 429 OE1 GLU A 31 -10.446 10.599 4.573 1.00 10.00 O ATOM 430 OE2 GLU A 31 -8.745 10.851 5.989 1.00 10.00 O ATOM 0 H GLU A 31 -10.470 6.297 4.624 1.00 10.00 H new ATOM 0 HA GLU A 31 -10.678 6.734 7.436 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -11.692 8.283 5.015 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -11.692 8.892 6.658 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -9.170 8.531 6.719 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -9.237 8.105 5.021 1.00 10.00 H new ATOM 437 N GLY A 32 -12.803 5.348 7.737 1.00 10.00 N ATOM 438 CA GLY A 32 -14.077 4.816 8.214 1.00 10.00 C ATOM 439 C GLY A 32 -14.800 3.993 7.143 1.00 10.00 C ATOM 440 O GLY A 32 -14.972 2.786 7.286 1.00 10.00 O ATOM 0 H GLY A 32 -11.997 4.860 8.128 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -13.903 4.193 9.092 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -14.717 5.640 8.530 1.00 10.00 H new ATOM 444 N THR A 33 -15.224 4.645 6.058 1.00 10.00 N ATOM 445 CA THR A 33 -15.914 4.001 4.940 1.00 10.00 C ATOM 446 C THR A 33 -14.899 3.439 3.933 1.00 10.00 C ATOM 447 O THR A 33 -14.183 4.219 3.303 1.00 10.00 O ATOM 448 CB THR A 33 -16.848 5.011 4.255 1.00 10.00 C ATOM 449 OG1 THR A 33 -17.727 5.575 5.205 1.00 10.00 O ATOM 450 CG2 THR A 33 -17.702 4.343 3.175 1.00 10.00 C ATOM 0 H THR A 33 -15.096 5.649 5.930 1.00 10.00 H new ATOM 0 HA THR A 33 -16.509 3.171 5.322 1.00 10.00 H new ATOM 0 HB THR A 33 -16.217 5.775 3.801 1.00 10.00 H new ATOM 0 HG1 THR A 33 -18.318 6.219 4.762 1.00 10.00 H new ATOM 0 HG21 THR A 33 -18.350 5.087 2.712 1.00 10.00 H new ATOM 0 HG22 THR A 33 -17.053 3.905 2.417 1.00 10.00 H new ATOM 0 HG23 THR A 33 -18.312 3.560 3.626 1.00 10.00 H new ATOM 458 N PRO A 34 -14.805 2.112 3.741 1.00 10.00 N ATOM 459 CA PRO A 34 -13.908 1.543 2.749 1.00 10.00 C ATOM 460 C PRO A 34 -14.477 1.729 1.337 1.00 10.00 C ATOM 461 O PRO A 34 -15.686 1.649 1.130 1.00 10.00 O ATOM 462 CB PRO A 34 -13.789 0.070 3.123 1.00 10.00 C ATOM 463 CG PRO A 34 -15.166 -0.242 3.707 1.00 10.00 C ATOM 464 CD PRO A 34 -15.545 1.058 4.419 1.00 10.00 C ATOM 0 HA PRO A 34 -12.932 2.029 2.741 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -13.567 -0.551 2.255 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -12.994 -0.100 3.849 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -15.885 -0.500 2.929 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -15.129 -1.084 4.398 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -16.619 1.236 4.363 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -15.284 1.015 5.476 1.00 10.00 H new ATOM 472 N ALA A 35 -13.598 1.980 0.364 1.00 10.00 N ATOM 473 CA ALA A 35 -13.965 2.243 -1.023 1.00 10.00 C ATOM 474 C ALA A 35 -12.724 2.179 -1.919 1.00 10.00 C ATOM 475 O ALA A 35 -11.597 2.110 -1.425 1.00 10.00 O ATOM 476 CB ALA A 35 -14.635 3.621 -1.123 1.00 10.00 C ATOM 0 H ALA A 35 -12.591 2.006 0.525 1.00 10.00 H new ATOM 0 HA ALA A 35 -14.669 1.483 -1.362 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -14.909 3.818 -2.159 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -15.530 3.636 -0.501 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -13.942 4.389 -0.779 1.00 10.00 H new ATOM 482 N LYS A 36 -12.920 2.200 -3.239 1.00 10.00 N ATOM 483 CA LYS A 36 -11.811 2.138 -4.182 1.00 10.00 C ATOM 484 C LYS A 36 -10.988 3.438 -4.240 1.00 10.00 C ATOM 485 O LYS A 36 -11.256 4.341 -5.032 1.00 10.00 O ATOM 486 CB LYS A 36 -12.276 1.661 -5.558 1.00 10.00 C ATOM 487 CG LYS A 36 -13.315 2.575 -6.229 1.00 10.00 C ATOM 488 CD LYS A 36 -12.775 3.087 -7.571 1.00 10.00 C ATOM 489 CE LYS A 36 -13.752 4.089 -8.195 1.00 10.00 C ATOM 490 NZ LYS A 36 -13.226 4.627 -9.467 1.00 10.00 N ATOM 0 H LYS A 36 -13.840 2.260 -3.676 1.00 10.00 H new ATOM 0 HA LYS A 36 -11.118 1.387 -3.803 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -11.408 1.576 -6.212 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -12.699 0.661 -5.459 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -14.245 2.028 -6.387 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -13.547 3.416 -5.576 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -11.805 3.561 -7.422 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -12.620 2.249 -8.251 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -14.712 3.603 -8.372 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -13.932 4.907 -7.498 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -13.908 5.303 -9.867 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -12.322 5.110 -9.292 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -13.077 3.847 -10.139 1.00 10.00 H new ATOM 504 N ILE A 37 -9.964 3.518 -3.394 1.00 10.00 N ATOM 505 CA ILE A 37 -8.978 4.600 -3.410 1.00 10.00 C ATOM 506 C ILE A 37 -8.222 4.589 -4.749 1.00 10.00 C ATOM 507 O ILE A 37 -7.750 3.539 -5.182 1.00 10.00 O ATOM 508 CB ILE A 37 -7.999 4.450 -2.226 1.00 10.00 C ATOM 509 CG1 ILE A 37 -8.741 4.511 -0.876 1.00 10.00 C ATOM 510 CG2 ILE A 37 -6.931 5.556 -2.278 1.00 10.00 C ATOM 511 CD1 ILE A 37 -7.873 4.039 0.297 1.00 10.00 C ATOM 0 H ILE A 37 -9.792 2.824 -2.667 1.00 10.00 H new ATOM 0 HA ILE A 37 -9.491 5.556 -3.305 1.00 10.00 H new ATOM 0 HB ILE A 37 -7.519 3.475 -2.311 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -9.069 5.534 -0.692 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -9.638 3.894 -0.931 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -6.246 5.440 -1.438 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -6.375 5.481 -3.213 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -7.414 6.531 -2.220 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -8.446 4.103 1.222 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -7.567 3.006 0.131 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -6.989 4.672 0.373 1.00 10.00 H new ATOM 523 N ALA A 38 -8.075 5.746 -5.404 1.00 10.00 N ATOM 524 CA ALA A 38 -7.287 5.832 -6.631 1.00 10.00 C ATOM 525 C ALA A 38 -5.781 5.823 -6.352 1.00 10.00 C ATOM 526 O ALA A 38 -5.184 6.819 -5.935 1.00 10.00 O ATOM 527 CB ALA A 38 -7.682 7.045 -7.458 1.00 10.00 C ATOM 0 H ALA A 38 -8.490 6.629 -5.105 1.00 10.00 H new ATOM 0 HA ALA A 38 -7.511 4.939 -7.214 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -7.077 7.080 -8.364 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -8.736 6.974 -7.728 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -7.517 7.952 -6.876 1.00 10.00 H new ATOM 533 N ILE A 39 -5.179 4.668 -6.611 1.00 10.00 N ATOM 534 CA ILE A 39 -3.762 4.412 -6.429 1.00 10.00 C ATOM 535 C ILE A 39 -3.001 4.460 -7.750 1.00 10.00 C ATOM 536 O ILE A 39 -3.213 3.629 -8.629 1.00 10.00 O ATOM 537 CB ILE A 39 -3.555 3.063 -5.739 1.00 10.00 C ATOM 538 CG1 ILE A 39 -4.286 3.009 -4.394 1.00 10.00 C ATOM 539 CG2 ILE A 39 -2.055 2.787 -5.567 1.00 10.00 C ATOM 540 CD1 ILE A 39 -3.816 4.025 -3.350 1.00 10.00 C ATOM 0 H ILE A 39 -5.686 3.857 -6.966 1.00 10.00 H new ATOM 0 HA ILE A 39 -3.361 5.203 -5.795 1.00 10.00 H new ATOM 0 HB ILE A 39 -3.982 2.283 -6.369 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -5.350 3.162 -4.572 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -4.173 2.008 -3.978 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -1.916 1.824 -5.075 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -1.574 2.767 -6.545 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -1.608 3.573 -4.959 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -4.397 3.903 -2.436 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -2.760 3.862 -3.134 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -3.956 5.035 -3.736 1.00 10.00 H new ATOM 552 N ASP A 40 -2.072 5.408 -7.838 1.00 10.00 N ATOM 553 CA ASP A 40 -1.055 5.475 -8.867 1.00 10.00 C ATOM 554 C ASP A 40 0.325 5.751 -8.248 1.00 10.00 C ATOM 555 O ASP A 40 0.489 5.938 -7.038 1.00 10.00 O ATOM 556 CB ASP A 40 -1.452 6.568 -9.880 1.00 10.00 C ATOM 557 CG ASP A 40 -1.336 7.989 -9.339 1.00 10.00 C ATOM 558 OD1 ASP A 40 -1.100 8.127 -8.118 1.00 10.00 O ATOM 559 OD2 ASP A 40 -1.390 8.925 -10.166 1.00 10.00 O ATOM 0 H ASP A 40 -2.010 6.175 -7.168 1.00 10.00 H new ATOM 0 HA ASP A 40 -0.985 4.519 -9.385 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -0.822 6.475 -10.765 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -2.479 6.395 -10.201 1.00 10.00 H new ATOM 564 N LYS A 41 1.300 5.874 -9.140 1.00 10.00 N ATOM 565 CA LYS A 41 2.630 6.427 -8.932 1.00 10.00 C ATOM 566 C LYS A 41 2.710 7.845 -8.320 1.00 10.00 C ATOM 567 O LYS A 41 3.825 8.301 -8.058 1.00 10.00 O ATOM 568 CB LYS A 41 3.398 6.316 -10.258 1.00 10.00 C ATOM 569 CG LYS A 41 2.727 7.039 -11.442 1.00 10.00 C ATOM 570 CD LYS A 41 3.306 6.465 -12.742 1.00 10.00 C ATOM 571 CE LYS A 41 2.655 7.024 -14.009 1.00 10.00 C ATOM 572 NZ LYS A 41 3.208 6.347 -15.203 1.00 10.00 N ATOM 0 H LYS A 41 1.169 5.565 -10.103 1.00 10.00 H new ATOM 0 HA LYS A 41 3.096 5.830 -8.148 1.00 10.00 H new ATOM 0 HB2 LYS A 41 4.400 6.723 -10.119 1.00 10.00 H new ATOM 0 HB3 LYS A 41 3.514 5.262 -10.510 1.00 10.00 H new ATOM 0 HG2 LYS A 41 1.647 6.897 -11.411 1.00 10.00 H new ATOM 0 HG3 LYS A 41 2.909 8.112 -11.385 1.00 10.00 H new ATOM 0 HD2 LYS A 41 4.376 6.670 -12.774 1.00 10.00 H new ATOM 0 HD3 LYS A 41 3.190 5.381 -12.733 1.00 10.00 H new ATOM 0 HE2 LYS A 41 1.575 6.880 -13.967 1.00 10.00 H new ATOM 0 HE3 LYS A 41 2.831 8.098 -14.075 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 2.761 6.732 -16.059 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 4.235 6.506 -15.248 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 3.018 5.326 -15.143 1.00 10.00 H new ATOM 586 N LYS A 42 1.595 8.539 -8.043 1.00 10.00 N ATOM 587 CA LYS A 42 1.561 9.682 -7.131 1.00 10.00 C ATOM 588 C LYS A 42 1.135 9.197 -5.738 1.00 10.00 C ATOM 589 O LYS A 42 1.917 9.268 -4.789 1.00 10.00 O ATOM 590 CB LYS A 42 0.590 10.771 -7.617 1.00 10.00 C ATOM 591 CG LYS A 42 0.909 11.341 -9.002 1.00 10.00 C ATOM 592 CD LYS A 42 -0.246 12.276 -9.386 1.00 10.00 C ATOM 593 CE LYS A 42 0.083 13.103 -10.632 1.00 10.00 C ATOM 594 NZ LYS A 42 -1.064 13.950 -11.021 1.00 10.00 N ATOM 0 H LYS A 42 0.687 8.317 -8.451 1.00 10.00 H new ATOM 0 HA LYS A 42 2.558 10.120 -7.095 1.00 10.00 H new ATOM 0 HB2 LYS A 42 -0.419 10.359 -7.632 1.00 10.00 H new ATOM 0 HB3 LYS A 42 0.590 11.587 -6.894 1.00 10.00 H new ATOM 0 HG2 LYS A 42 1.854 11.884 -8.986 1.00 10.00 H new ATOM 0 HG3 LYS A 42 1.014 10.539 -9.733 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -1.145 11.687 -9.567 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -0.465 12.944 -8.553 1.00 10.00 H new ATOM 0 HE2 LYS A 42 0.954 13.730 -10.438 1.00 10.00 H new ATOM 0 HE3 LYS A 42 0.345 12.439 -11.455 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -0.817 14.501 -11.868 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -1.886 13.348 -11.227 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -1.297 14.598 -10.242 1.00 10.00 H new ATOM 608 N SER A 43 -0.104 8.701 -5.617 1.00 10.00 N ATOM 609 CA SER A 43 -0.706 8.318 -4.338 1.00 10.00 C ATOM 610 C SER A 43 0.202 7.353 -3.567 1.00 10.00 C ATOM 611 O SER A 43 0.555 7.583 -2.412 1.00 10.00 O ATOM 612 CB SER A 43 -2.076 7.664 -4.571 1.00 10.00 C ATOM 613 OG SER A 43 -2.942 8.482 -5.336 1.00 10.00 O ATOM 0 H SER A 43 -0.721 8.554 -6.415 1.00 10.00 H new ATOM 0 HA SER A 43 -0.833 9.222 -3.743 1.00 10.00 H new ATOM 0 HB2 SER A 43 -1.938 6.710 -5.080 1.00 10.00 H new ATOM 0 HB3 SER A 43 -2.541 7.448 -3.609 1.00 10.00 H new ATOM 0 HG SER A 43 -3.734 7.967 -5.596 1.00 10.00 H new ATOM 619 N ALA A 44 0.603 6.260 -4.224 1.00 10.00 N ATOM 620 CA ALA A 44 1.430 5.228 -3.615 1.00 10.00 C ATOM 621 C ALA A 44 2.727 5.802 -3.044 1.00 10.00 C ATOM 622 O ALA A 44 3.044 5.623 -1.865 1.00 10.00 O ATOM 623 CB ALA A 44 1.747 4.157 -4.660 1.00 10.00 C ATOM 0 H ALA A 44 0.359 6.071 -5.196 1.00 10.00 H new ATOM 0 HA ALA A 44 0.875 4.790 -2.785 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.366 3.381 -4.210 1.00 10.00 H new ATOM 0 HB2 ALA A 44 0.818 3.716 -5.022 1.00 10.00 H new ATOM 0 HB3 ALA A 44 2.283 4.610 -5.494 1.00 10.00 H new ATOM 629 N HIS A 45 3.485 6.492 -3.898 1.00 10.00 N ATOM 630 CA HIS A 45 4.801 7.013 -3.558 1.00 10.00 C ATOM 631 C HIS A 45 4.764 8.179 -2.556 1.00 10.00 C ATOM 632 O HIS A 45 5.797 8.521 -1.984 1.00 10.00 O ATOM 633 CB HIS A 45 5.545 7.407 -4.832 1.00 10.00 C ATOM 634 CG HIS A 45 5.705 6.293 -5.834 1.00 10.00 C ATOM 635 ND1 HIS A 45 5.629 6.460 -7.190 1.00 10.00 N ATOM 636 CD2 HIS A 45 6.024 4.979 -5.595 1.00 10.00 C ATOM 637 CE1 HIS A 45 5.909 5.278 -7.757 1.00 10.00 C ATOM 638 NE2 HIS A 45 6.153 4.332 -6.831 1.00 10.00 N ATOM 0 H HIS A 45 3.196 6.704 -4.853 1.00 10.00 H new ATOM 0 HA HIS A 45 5.338 6.211 -3.051 1.00 10.00 H new ATOM 0 HB2 HIS A 45 5.014 8.232 -5.307 1.00 10.00 H new ATOM 0 HB3 HIS A 45 6.533 7.778 -4.560 1.00 10.00 H new ATOM 0 HD1 HIS A 45 5.401 7.325 -7.680 1.00 10.00 H new ATOM 0 HD2 HIS A 45 6.153 4.524 -4.624 1.00 10.00 H new ATOM 0 HE1 HIS A 45 5.935 5.106 -8.823 1.00 10.00 H new ATOM 646 N LYS A 46 3.591 8.775 -2.330 1.00 10.00 N ATOM 647 CA LYS A 46 3.387 9.829 -1.348 1.00 10.00 C ATOM 648 C LYS A 46 2.804 9.264 -0.038 1.00 10.00 C ATOM 649 O LYS A 46 3.533 8.891 0.887 1.00 10.00 O ATOM 650 CB LYS A 46 2.487 10.887 -2.009 1.00 10.00 C ATOM 651 CG LYS A 46 2.182 12.104 -1.125 1.00 10.00 C ATOM 652 CD LYS A 46 1.044 12.898 -1.780 1.00 10.00 C ATOM 653 CE LYS A 46 0.486 13.972 -0.835 1.00 10.00 C ATOM 654 NZ LYS A 46 -0.981 14.069 -0.964 1.00 10.00 N ATOM 0 H LYS A 46 2.742 8.529 -2.838 1.00 10.00 H new ATOM 0 HA LYS A 46 4.330 10.291 -1.056 1.00 10.00 H new ATOM 0 HB2 LYS A 46 2.965 11.231 -2.926 1.00 10.00 H new ATOM 0 HB3 LYS A 46 1.546 10.417 -2.296 1.00 10.00 H new ATOM 0 HG2 LYS A 46 1.895 11.784 -0.123 1.00 10.00 H new ATOM 0 HG3 LYS A 46 3.069 12.728 -1.018 1.00 10.00 H new ATOM 0 HD2 LYS A 46 1.407 13.369 -2.693 1.00 10.00 H new ATOM 0 HD3 LYS A 46 0.244 12.217 -2.070 1.00 10.00 H new ATOM 0 HE2 LYS A 46 0.750 13.731 0.195 1.00 10.00 H new ATOM 0 HE3 LYS A 46 0.941 14.936 -1.063 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -1.337 14.812 -0.329 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -1.228 14.305 -1.946 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -1.413 13.158 -0.707 1.00 10.00 H new ATOM 668 N ASP A 47 1.478 9.255 0.063 1.00 10.00 N ATOM 669 CA ASP A 47 0.714 9.086 1.283 1.00 10.00 C ATOM 670 C ASP A 47 0.185 7.650 1.397 1.00 10.00 C ATOM 671 O ASP A 47 0.499 6.946 2.357 1.00 10.00 O ATOM 672 CB ASP A 47 -0.381 10.172 1.324 1.00 10.00 C ATOM 673 CG ASP A 47 -1.057 10.468 -0.009 1.00 10.00 C ATOM 674 OD1 ASP A 47 -1.043 9.565 -0.871 1.00 10.00 O ATOM 675 OD2 ASP A 47 -1.498 11.627 -0.172 1.00 10.00 O ATOM 0 H ASP A 47 0.879 9.373 -0.754 1.00 10.00 H new ATOM 0 HA ASP A 47 1.341 9.223 2.164 1.00 10.00 H new ATOM 0 HB2 ASP A 47 -1.145 9.867 2.040 1.00 10.00 H new ATOM 0 HB3 ASP A 47 0.060 11.095 1.701 1.00 10.00 H new ATOM 680 N ALA A 48 -0.594 7.223 0.403 1.00 10.00 N ATOM 681 CA ALA A 48 -1.339 5.967 0.410 1.00 10.00 C ATOM 682 C ALA A 48 -0.502 4.718 0.729 1.00 10.00 C ATOM 683 O ALA A 48 -1.014 3.804 1.373 1.00 10.00 O ATOM 684 CB ALA A 48 -2.088 5.815 -0.913 1.00 10.00 C ATOM 0 H ALA A 48 -0.727 7.759 -0.455 1.00 10.00 H new ATOM 0 HA ALA A 48 -2.044 6.032 1.239 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -2.645 4.878 -0.910 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -2.780 6.648 -1.037 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -1.374 5.810 -1.737 1.00 10.00 H new ATOM 690 N CYS A 49 0.769 4.662 0.307 1.00 10.00 N ATOM 691 CA CYS A 49 1.687 3.592 0.717 1.00 10.00 C ATOM 692 C CYS A 49 2.896 4.130 1.492 1.00 10.00 C ATOM 693 O CYS A 49 3.133 3.777 2.652 1.00 10.00 O ATOM 694 CB CYS A 49 2.131 2.746 -0.458 1.00 10.00 C ATOM 695 SG CYS A 49 0.858 2.251 -1.665 1.00 10.00 S ATOM 0 H CYS A 49 1.186 5.349 -0.321 1.00 10.00 H new ATOM 0 HA CYS A 49 1.124 2.950 1.395 1.00 10.00 H new ATOM 0 HB2 CYS A 49 2.907 3.293 -0.993 1.00 10.00 H new ATOM 0 HB3 CYS A 49 2.593 1.840 -0.065 1.00 10.00 H new ATOM 0 HG CYS A 49 1.404 1.537 -2.604 1.00 10.00 H new ATOM 700 N LYS A 50 3.698 4.965 0.829 1.00 10.00 N ATOM 701 CA LYS A 50 5.008 5.385 1.314 1.00 10.00 C ATOM 702 C LYS A 50 4.973 5.963 2.731 1.00 10.00 C ATOM 703 O LYS A 50 5.724 5.481 3.572 1.00 10.00 O ATOM 704 CB LYS A 50 5.691 6.339 0.328 1.00 10.00 C ATOM 705 CG LYS A 50 6.665 5.631 -0.633 1.00 10.00 C ATOM 706 CD LYS A 50 8.112 5.480 -0.127 1.00 10.00 C ATOM 707 CE LYS A 50 8.280 4.523 1.058 1.00 10.00 C ATOM 708 NZ LYS A 50 9.710 4.255 1.337 1.00 10.00 N ATOM 0 H LYS A 50 3.450 5.373 -0.072 1.00 10.00 H new ATOM 0 HA LYS A 50 5.612 4.480 1.378 1.00 10.00 H new ATOM 0 HB2 LYS A 50 4.928 6.855 -0.255 1.00 10.00 H new ATOM 0 HB3 LYS A 50 6.234 7.101 0.888 1.00 10.00 H new ATOM 0 HG2 LYS A 50 6.272 4.639 -0.854 1.00 10.00 H new ATOM 0 HG3 LYS A 50 6.684 6.183 -1.573 1.00 10.00 H new ATOM 0 HD2 LYS A 50 8.735 5.130 -0.950 1.00 10.00 H new ATOM 0 HD3 LYS A 50 8.486 6.462 0.161 1.00 10.00 H new ATOM 0 HE2 LYS A 50 7.809 4.951 1.943 1.00 10.00 H new ATOM 0 HE3 LYS A 50 7.767 3.585 0.846 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 9.790 3.604 2.144 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 10.152 3.825 0.500 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 10.193 5.148 1.563 1.00 10.00 H new ATOM 722 N THR A 51 4.149 6.981 3.009 1.00 10.00 N ATOM 723 CA THR A 51 4.095 7.598 4.343 1.00 10.00 C ATOM 724 C THR A 51 3.904 6.578 5.477 1.00 10.00 C ATOM 725 O THR A 51 4.713 6.549 6.406 1.00 10.00 O ATOM 726 CB THR A 51 3.066 8.735 4.401 1.00 10.00 C ATOM 727 OG1 THR A 51 3.477 9.763 3.521 1.00 10.00 O ATOM 728 CG2 THR A 51 2.991 9.369 5.793 1.00 10.00 C ATOM 0 H THR A 51 3.511 7.395 2.330 1.00 10.00 H new ATOM 0 HA THR A 51 5.076 8.041 4.513 1.00 10.00 H new ATOM 0 HB THR A 51 2.098 8.310 4.137 1.00 10.00 H new ATOM 0 HG1 THR A 51 3.487 9.422 2.602 1.00 10.00 H new ATOM 0 HG21 THR A 51 2.251 10.169 5.789 1.00 10.00 H new ATOM 0 HG22 THR A 51 2.703 8.612 6.523 1.00 10.00 H new ATOM 0 HG23 THR A 51 3.966 9.778 6.060 1.00 10.00 H new ATOM 736 N CYS A 52 2.892 5.700 5.407 1.00 10.00 N ATOM 737 CA CYS A 52 2.767 4.629 6.407 1.00 10.00 C ATOM 738 C CYS A 52 4.038 3.771 6.453 1.00 10.00 C ATOM 739 O CYS A 52 4.601 3.529 7.519 1.00 10.00 O ATOM 740 CB CYS A 52 1.553 3.774 6.163 1.00 10.00 C ATOM 741 SG CYS A 52 1.430 2.572 7.528 1.00 10.00 S ATOM 0 H CYS A 52 2.167 5.708 4.690 1.00 10.00 H new ATOM 0 HA CYS A 52 2.639 5.106 7.379 1.00 10.00 H new ATOM 0 HB2 CYS A 52 0.655 4.391 6.116 1.00 10.00 H new ATOM 0 HB3 CYS A 52 1.636 3.258 5.207 1.00 10.00 H new ATOM 0 HG CYS A 52 0.387 1.817 7.348 1.00 10.00 H new ATOM 746 N HIS A 53 4.557 3.390 5.284 1.00 10.00 N ATOM 747 CA HIS A 53 5.845 2.710 5.173 1.00 10.00 C ATOM 748 C HIS A 53 7.070 3.540 5.647 1.00 10.00 C ATOM 749 O HIS A 53 8.200 3.080 5.486 1.00 10.00 O ATOM 750 CB HIS A 53 6.020 2.268 3.717 1.00 10.00 C ATOM 751 CG HIS A 53 5.284 1.021 3.308 1.00 10.00 C ATOM 752 ND1 HIS A 53 5.724 0.142 2.356 1.00 10.00 N ATOM 753 CD2 HIS A 53 4.096 0.539 3.782 1.00 10.00 C ATOM 754 CE1 HIS A 53 4.824 -0.853 2.268 1.00 10.00 C ATOM 755 NE2 HIS A 53 3.800 -0.666 3.116 1.00 10.00 N ATOM 0 H HIS A 53 4.094 3.545 4.388 1.00 10.00 H new ATOM 0 HA HIS A 53 5.820 1.859 5.854 1.00 10.00 H new ATOM 0 HB2 HIS A 53 5.697 3.084 3.070 1.00 10.00 H new ATOM 0 HB3 HIS A 53 7.083 2.115 3.531 1.00 10.00 H new ATOM 0 HD1 HIS A 53 6.582 0.227 1.810 1.00 10.00 H new ATOM 0 HD2 HIS A 53 3.486 1.005 4.541 1.00 10.00 H new ATOM 0 HE1 HIS A 53 4.913 -1.696 1.599 1.00 10.00 H new ATOM 763 N LYS A 54 6.900 4.749 6.196 1.00 10.00 N ATOM 764 CA LYS A 54 7.925 5.460 6.952 1.00 10.00 C ATOM 765 C LYS A 54 7.704 5.245 8.454 1.00 10.00 C ATOM 766 O LYS A 54 8.602 4.799 9.169 1.00 10.00 O ATOM 767 CB LYS A 54 7.902 6.934 6.599 1.00 10.00 C ATOM 768 CG LYS A 54 8.106 7.096 5.101 1.00 10.00 C ATOM 769 CD LYS A 54 8.721 8.476 4.894 1.00 10.00 C ATOM 770 CE LYS A 54 8.615 8.950 3.439 1.00 10.00 C ATOM 771 NZ LYS A 54 9.113 10.336 3.290 1.00 10.00 N ATOM 0 H LYS A 54 6.025 5.267 6.122 1.00 10.00 H new ATOM 0 HA LYS A 54 8.908 5.067 6.692 1.00 10.00 H new ATOM 0 HB2 LYS A 54 6.952 7.376 6.898 1.00 10.00 H new ATOM 0 HB3 LYS A 54 8.685 7.462 7.143 1.00 10.00 H new ATOM 0 HG2 LYS A 54 8.762 6.317 4.712 1.00 10.00 H new ATOM 0 HG3 LYS A 54 7.159 7.010 4.569 1.00 10.00 H new ATOM 0 HD2 LYS A 54 8.223 9.194 5.545 1.00 10.00 H new ATOM 0 HD3 LYS A 54 9.770 8.452 5.190 1.00 10.00 H new ATOM 0 HE2 LYS A 54 9.188 8.284 2.794 1.00 10.00 H new ATOM 0 HE3 LYS A 54 7.577 8.897 3.111 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 9.029 10.630 2.296 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 8.550 10.973 3.888 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 10.111 10.380 3.581 1.00 10.00 H new ATOM 859 N LYS A 61 12.617 0.608 0.200 1.00 10.00 N ATOM 860 CA LYS A 61 13.271 0.683 -1.108 1.00 10.00 C ATOM 861 C LYS A 61 12.291 0.383 -2.255 1.00 10.00 C ATOM 862 O LYS A 61 11.349 -0.385 -2.067 1.00 10.00 O ATOM 863 CB LYS A 61 14.373 -0.393 -1.077 1.00 10.00 C ATOM 864 CG LYS A 61 15.383 -0.403 -2.236 1.00 10.00 C ATOM 865 CD LYS A 61 15.982 -1.818 -2.330 1.00 10.00 C ATOM 866 CE LYS A 61 17.147 -1.931 -3.324 1.00 10.00 C ATOM 867 NZ LYS A 61 18.425 -1.479 -2.730 1.00 10.00 N ATOM 0 HA LYS A 61 13.662 1.685 -1.286 1.00 10.00 H new ATOM 0 HB2 LYS A 61 14.929 -0.279 -0.146 1.00 10.00 H new ATOM 0 HB3 LYS A 61 13.890 -1.369 -1.042 1.00 10.00 H new ATOM 0 HG2 LYS A 61 14.893 -0.133 -3.171 1.00 10.00 H new ATOM 0 HG3 LYS A 61 16.168 0.333 -2.064 1.00 10.00 H new ATOM 0 HD2 LYS A 61 16.328 -2.123 -1.342 1.00 10.00 H new ATOM 0 HD3 LYS A 61 15.198 -2.516 -2.622 1.00 10.00 H new ATOM 0 HE2 LYS A 61 17.245 -2.966 -3.652 1.00 10.00 H new ATOM 0 HE3 LYS A 61 16.928 -1.335 -4.210 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 19.186 -1.571 -3.433 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 18.340 -0.484 -2.440 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 18.648 -2.064 -1.900 1.00 10.00 H new ATOM 881 N CYS A 62 12.548 0.904 -3.465 1.00 10.00 N ATOM 882 CA CYS A 62 11.805 0.544 -4.684 1.00 10.00 C ATOM 883 C CYS A 62 11.588 -0.974 -4.781 1.00 10.00 C ATOM 884 O CYS A 62 10.454 -1.454 -4.780 1.00 10.00 O ATOM 885 CB CYS A 62 12.504 1.039 -5.933 1.00 10.00 C ATOM 886 SG CYS A 62 13.214 2.711 -5.823 1.00 10.00 S ATOM 0 H CYS A 62 13.283 1.592 -3.627 1.00 10.00 H new ATOM 0 HA CYS A 62 10.834 1.034 -4.614 1.00 10.00 H new ATOM 0 HB2 CYS A 62 13.302 0.340 -6.183 1.00 10.00 H new ATOM 0 HB3 CYS A 62 11.793 1.019 -6.759 1.00 10.00 H new ATOM 0 HG CYS A 62 12.928 3.229 -4.665 1.00 10.00 H new ATOM 891 N GLY A 63 12.699 -1.720 -4.795 1.00 10.00 N ATOM 892 CA GLY A 63 12.733 -3.180 -4.826 1.00 10.00 C ATOM 893 C GLY A 63 12.072 -3.854 -3.616 1.00 10.00 C ATOM 894 O GLY A 63 11.751 -5.036 -3.658 1.00 10.00 O ATOM 0 H GLY A 63 13.631 -1.305 -4.785 1.00 10.00 H new ATOM 0 HA2 GLY A 63 12.238 -3.524 -5.734 1.00 10.00 H new ATOM 0 HA3 GLY A 63 13.771 -3.506 -4.886 1.00 10.00 H new ATOM 898 N GLY A 64 11.867 -3.109 -2.523 1.00 10.00 N ATOM 899 CA GLY A 64 11.118 -3.583 -1.367 1.00 10.00 C ATOM 900 C GLY A 64 9.620 -3.715 -1.668 1.00 10.00 C ATOM 901 O GLY A 64 8.936 -4.507 -1.027 1.00 10.00 O ATOM 0 H GLY A 64 12.220 -2.157 -2.421 1.00 10.00 H new ATOM 0 HA2 GLY A 64 11.511 -4.550 -1.052 1.00 10.00 H new ATOM 0 HA3 GLY A 64 11.261 -2.894 -0.535 1.00 10.00 H new ATOM 905 N CYS A 65 9.113 -2.937 -2.634 1.00 10.00 N ATOM 906 CA CYS A 65 7.741 -3.051 -3.126 1.00 10.00 C ATOM 907 C CYS A 65 7.718 -3.777 -4.473 1.00 10.00 C ATOM 908 O CYS A 65 7.093 -4.820 -4.612 1.00 10.00 O ATOM 909 CB CYS A 65 7.122 -1.684 -3.243 1.00 10.00 C ATOM 910 SG CYS A 65 6.764 -0.970 -1.608 1.00 10.00 S ATOM 0 H CYS A 65 9.652 -2.205 -3.097 1.00 10.00 H new ATOM 0 HA CYS A 65 7.156 -3.636 -2.416 1.00 10.00 H new ATOM 0 HB2 CYS A 65 7.796 -1.024 -3.789 1.00 10.00 H new ATOM 0 HB3 CYS A 65 6.201 -1.749 -3.822 1.00 10.00 H new ATOM 0 HG CYS A 65 6.234 0.208 -1.755 1.00 10.00 H new ATOM 915 N HIS A 66 8.392 -3.219 -5.478 1.00 10.00 N ATOM 916 CA HIS A 66 8.406 -3.759 -6.827 1.00 10.00 C ATOM 917 C HIS A 66 9.312 -4.997 -6.924 1.00 10.00 C ATOM 918 O HIS A 66 10.503 -4.885 -6.651 1.00 10.00 O ATOM 919 CB HIS A 66 8.888 -2.645 -7.762 1.00 10.00 C ATOM 920 CG HIS A 66 7.957 -1.480 -7.799 1.00 10.00 C ATOM 921 ND1 HIS A 66 6.772 -1.472 -8.471 1.00 10.00 N ATOM 922 CD2 HIS A 66 8.118 -0.252 -7.224 1.00 10.00 C ATOM 923 CE1 HIS A 66 6.227 -0.255 -8.325 1.00 10.00 C ATOM 924 NE2 HIS A 66 7.007 0.538 -7.571 1.00 10.00 N ATOM 0 H HIS A 66 8.948 -2.370 -5.372 1.00 10.00 H new ATOM 0 HA HIS A 66 7.406 -4.087 -7.112 1.00 10.00 H new ATOM 0 HB2 HIS A 66 9.873 -2.307 -7.440 1.00 10.00 H new ATOM 0 HB3 HIS A 66 9.002 -3.046 -8.769 1.00 10.00 H new ATOM 0 HD1 HIS A 66 6.371 -2.252 -8.992 1.00 10.00 H new ATOM 0 HD2 HIS A 66 8.951 0.058 -6.611 1.00 10.00 H new ATOM 0 HE1 HIS A 66 5.285 0.048 -8.757 1.00 10.00 H new ATOM 932 N ILE A 67 8.796 -6.148 -7.370 1.00 10.00 N ATOM 933 CA ILE A 67 9.657 -7.303 -7.658 1.00 10.00 C ATOM 934 C ILE A 67 10.794 -6.900 -8.616 1.00 10.00 C ATOM 935 O ILE A 67 10.533 -6.391 -9.706 1.00 10.00 O ATOM 936 CB ILE A 67 8.848 -8.485 -8.228 1.00 10.00 C ATOM 937 CG1 ILE A 67 7.646 -8.891 -7.356 1.00 10.00 C ATOM 938 CG2 ILE A 67 9.764 -9.700 -8.449 1.00 10.00 C ATOM 939 CD1 ILE A 67 7.980 -9.130 -5.879 1.00 10.00 C ATOM 0 H ILE A 67 7.802 -6.305 -7.538 1.00 10.00 H new ATOM 0 HA ILE A 67 10.097 -7.635 -6.718 1.00 10.00 H new ATOM 0 HB ILE A 67 8.440 -8.141 -9.178 1.00 10.00 H new ATOM 0 HG12 ILE A 67 6.887 -8.112 -7.422 1.00 10.00 H new ATOM 0 HG13 ILE A 67 7.206 -9.800 -7.767 1.00 10.00 H new ATOM 0 HG21 ILE A 67 9.180 -10.528 -8.852 1.00 10.00 H new ATOM 0 HG22 ILE A 67 10.554 -9.437 -9.153 1.00 10.00 H new ATOM 0 HG23 ILE A 67 10.209 -9.998 -7.499 1.00 10.00 H new ATOM 0 HD11 ILE A 67 7.074 -9.411 -5.342 1.00 10.00 H new ATOM 0 HD12 ILE A 67 8.714 -9.932 -5.797 1.00 10.00 H new ATOM 0 HD13 ILE A 67 8.390 -8.217 -5.446 1.00 10.00 H new ATOM 951 N LYS A 68 12.048 -7.088 -8.195 1.00 10.00 N ATOM 952 CA LYS A 68 13.231 -6.560 -8.850 1.00 10.00 C ATOM 953 C LYS A 68 14.440 -7.436 -8.500 1.00 10.00 C ATOM 954 O LYS A 68 14.447 -7.967 -7.366 1.00 10.00 O ATOM 955 CB LYS A 68 13.405 -5.107 -8.367 1.00 10.00 C ATOM 956 CG LYS A 68 14.760 -4.441 -8.647 1.00 10.00 C ATOM 957 CD LYS A 68 14.896 -3.797 -10.036 1.00 10.00 C ATOM 958 CE LYS A 68 14.878 -4.830 -11.169 1.00 10.00 C ATOM 959 NZ LYS A 68 15.308 -4.245 -12.453 1.00 10.00 N ATOM 960 OXT LYS A 68 15.341 -7.532 -9.364 1.00 10.00 O ATOM 0 H LYS A 68 12.267 -7.631 -7.360 1.00 10.00 H new ATOM 0 HA LYS A 68 13.137 -6.569 -9.936 1.00 10.00 H new ATOM 0 HB2 LYS A 68 12.626 -4.500 -8.829 1.00 10.00 H new ATOM 0 HB3 LYS A 68 13.231 -5.084 -7.291 1.00 10.00 H new ATOM 0 HG2 LYS A 68 14.934 -3.676 -7.890 1.00 10.00 H new ATOM 0 HG3 LYS A 68 15.545 -5.188 -8.532 1.00 10.00 H new ATOM 0 HD2 LYS A 68 14.083 -3.086 -10.184 1.00 10.00 H new ATOM 0 HD3 LYS A 68 15.826 -3.231 -10.080 1.00 10.00 H new ATOM 0 HE2 LYS A 68 15.533 -5.662 -10.912 1.00 10.00 H new ATOM 0 HE3 LYS A 68 13.872 -5.236 -11.274 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 15.282 -4.975 -13.193 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 14.668 -3.467 -12.712 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 16.277 -3.880 -12.361 1.00 10.00 H new