USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=19 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 HD1:sc= 0 X(o=1.2,f=1.2) USER MOD Set 1.2: A 66 HIS : no HE2:sc= 1.23 K(o=1.2,f=-3.9!) USER MOD Set 2.1: A 17 HIS : no HE2:sc= -0.0664 X(o=-0.2,f=-0.15) USER MOD Set 2.2: A 30 HIS : no HD1:sc= -0.132 X(o=-0.2,f=-0.6) USER MOD Set 3.1: A 20 HIS : no HD1:sc= -0.202 X(o=-0.2,f=-0.63) USER MOD Set 3.2: A 53 HIS : no HD1:sc= 0 X(o=-0.2,f=-0.2) USER MOD Set 4.1: A 5 THR OG1 : rot -52:sc= 1.16 USER MOD Set 4.2: A 14 THR OG1 : rot -35:sc=0.000941 USER MOD Single : A 6 TYR OH : rot 66:sc= 0.0032 USER MOD Single : A 8 ASN : amide:sc= 0.427 K(o=0.43,f=-7.1!) USER MOD Single : A 12 ASN : amide:sc= 0.217 X(o=0.22,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 170:sc= 1.12 (180deg=1.01) USER MOD Single : A 23 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.053) 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+ -125:sc= -0.714 (180deg=-2.7!) 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 -164:sc= 1.39 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 180:sc= -0.0539 USER MOD Single : A 50 LYS NZ :NH3+ 156:sc= 1.22 (180deg=1.12) USER MOD Single : A 51 THR OG1 : rot 159:sc= 1.24 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+ -174:sc= 0 (180deg=-0.0259) USER MOD Single : A 62 CYS SG : rot 180:sc= -0.013 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 -9.611 -9.592 -1.477 1.00 10.00 N ATOM 14 CA ASP A 2 -8.534 -10.036 -0.599 1.00 10.00 C ATOM 15 C ASP A 2 -7.241 -10.422 -1.352 1.00 10.00 C ATOM 16 O ASP A 2 -7.247 -11.315 -2.192 1.00 10.00 O ATOM 17 CB ASP A 2 -9.050 -11.105 0.386 1.00 10.00 C ATOM 18 CG ASP A 2 -10.087 -12.116 -0.088 1.00 10.00 C ATOM 19 OD1 ASP A 2 -10.822 -11.837 -1.059 1.00 10.00 O ATOM 20 OD2 ASP A 2 -10.205 -13.112 0.661 1.00 10.00 O ATOM 0 HA ASP A 2 -8.219 -9.184 0.003 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -8.186 -11.665 0.744 1.00 10.00 H new ATOM 0 HB3 ASP A 2 -9.470 -10.583 1.246 1.00 10.00 H new ATOM 25 N VAL A 3 -6.136 -9.731 -1.022 1.00 10.00 N ATOM 26 CA VAL A 3 -4.799 -9.849 -1.614 1.00 10.00 C ATOM 27 C VAL A 3 -4.807 -9.622 -3.136 1.00 10.00 C ATOM 28 O VAL A 3 -5.041 -10.537 -3.921 1.00 10.00 O ATOM 29 CB VAL A 3 -4.114 -11.152 -1.165 1.00 10.00 C ATOM 30 CG1 VAL A 3 -2.771 -11.382 -1.875 1.00 10.00 C ATOM 31 CG2 VAL A 3 -3.823 -11.101 0.342 1.00 10.00 C ATOM 0 H VAL A 3 -6.159 -9.028 -0.283 1.00 10.00 H new ATOM 0 HA VAL A 3 -4.181 -9.038 -1.229 1.00 10.00 H new ATOM 0 HB VAL A 3 -4.799 -11.961 -1.417 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -2.328 -12.314 -1.523 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -2.934 -11.441 -2.951 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -2.097 -10.554 -1.655 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -3.338 -12.027 0.651 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -3.166 -10.258 0.557 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -4.758 -10.981 0.889 1.00 10.00 H new ATOM 41 N VAL A 4 -4.531 -8.381 -3.553 1.00 10.00 N ATOM 42 CA VAL A 4 -4.543 -7.960 -4.954 1.00 10.00 C ATOM 43 C VAL A 4 -3.114 -7.651 -5.412 1.00 10.00 C ATOM 44 O VAL A 4 -2.320 -7.120 -4.643 1.00 10.00 O ATOM 45 CB VAL A 4 -5.461 -6.732 -5.120 1.00 10.00 C ATOM 46 CG1 VAL A 4 -5.600 -6.325 -6.593 1.00 10.00 C ATOM 47 CG2 VAL A 4 -6.857 -7.009 -4.551 1.00 10.00 C ATOM 0 H VAL A 4 -4.288 -7.627 -2.910 1.00 10.00 H new ATOM 0 HA VAL A 4 -4.934 -8.764 -5.578 1.00 10.00 H new ATOM 0 HB VAL A 4 -4.995 -5.916 -4.568 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -6.254 -5.456 -6.670 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -4.618 -6.077 -6.996 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -6.027 -7.152 -7.160 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -7.484 -6.127 -4.681 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -7.304 -7.853 -5.077 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -6.777 -7.244 -3.490 1.00 10.00 H new ATOM 57 N THR A 5 -2.782 -7.956 -6.667 1.00 10.00 N ATOM 58 CA THR A 5 -1.484 -7.625 -7.259 1.00 10.00 C ATOM 59 C THR A 5 -1.651 -6.580 -8.360 1.00 10.00 C ATOM 60 O THR A 5 -2.601 -6.648 -9.136 1.00 10.00 O ATOM 61 CB THR A 5 -0.767 -8.914 -7.718 1.00 10.00 C ATOM 62 OG1 THR A 5 0.267 -9.225 -6.812 1.00 10.00 O ATOM 63 CG2 THR A 5 -0.149 -8.855 -9.114 1.00 10.00 C ATOM 0 H THR A 5 -3.410 -8.443 -7.306 1.00 10.00 H new ATOM 0 HA THR A 5 -0.837 -7.167 -6.511 1.00 10.00 H new ATOM 0 HB THR A 5 -1.550 -9.672 -7.748 1.00 10.00 H new ATOM 0 HG1 THR A 5 0.844 -8.442 -6.693 1.00 10.00 H new ATOM 0 HG21 THR A 5 0.329 -9.808 -9.341 1.00 10.00 H new ATOM 0 HG22 THR A 5 -0.929 -8.657 -9.849 1.00 10.00 H new ATOM 0 HG23 THR A 5 0.594 -8.058 -9.150 1.00 10.00 H new ATOM 71 N TYR A 6 -0.739 -5.601 -8.402 1.00 10.00 N ATOM 72 CA TYR A 6 -0.689 -4.596 -9.462 1.00 10.00 C ATOM 73 C TYR A 6 0.560 -4.812 -10.317 1.00 10.00 C ATOM 74 O TYR A 6 1.675 -4.733 -9.803 1.00 10.00 O ATOM 75 CB TYR A 6 -0.714 -3.173 -8.897 1.00 10.00 C ATOM 76 CG TYR A 6 -2.094 -2.582 -8.679 1.00 10.00 C ATOM 77 CD1 TYR A 6 -3.008 -3.184 -7.792 1.00 10.00 C ATOM 78 CD2 TYR A 6 -2.424 -1.360 -9.290 1.00 10.00 C ATOM 79 CE1 TYR A 6 -4.221 -2.539 -7.485 1.00 10.00 C ATOM 80 CE2 TYR A 6 -3.584 -0.673 -8.907 1.00 10.00 C ATOM 81 CZ TYR A 6 -4.484 -1.261 -8.008 1.00 10.00 C ATOM 82 OH TYR A 6 -5.520 -0.511 -7.547 1.00 10.00 O ATOM 0 H TYR A 6 -0.012 -5.486 -7.696 1.00 10.00 H new ATOM 0 HA TYR A 6 -1.578 -4.712 -10.082 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -0.181 -3.169 -7.946 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -0.162 -2.522 -9.574 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -2.778 -4.141 -7.347 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -1.783 -0.950 -10.056 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -4.947 -3.024 -6.850 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -3.785 0.311 -9.305 1.00 10.00 H new ATOM 0 HH TYR A 6 -5.357 -0.268 -6.612 1.00 10.00 H new ATOM 92 N GLU A 7 0.353 -5.122 -11.600 1.00 10.00 N ATOM 93 CA GLU A 7 1.373 -5.539 -12.552 1.00 10.00 C ATOM 94 C GLU A 7 1.689 -4.405 -13.537 1.00 10.00 C ATOM 95 O GLU A 7 0.933 -4.176 -14.479 1.00 10.00 O ATOM 96 CB GLU A 7 0.868 -6.795 -13.278 1.00 10.00 C ATOM 97 CG GLU A 7 0.482 -7.901 -12.294 1.00 10.00 C ATOM 98 CD GLU A 7 0.043 -9.184 -12.985 1.00 10.00 C ATOM 99 OE1 GLU A 7 0.928 -9.834 -13.580 1.00 10.00 O ATOM 100 OE2 GLU A 7 -1.165 -9.489 -12.895 1.00 10.00 O ATOM 0 H GLU A 7 -0.577 -5.086 -12.018 1.00 10.00 H new ATOM 0 HA GLU A 7 2.302 -5.773 -12.032 1.00 10.00 H new ATOM 0 HB2 GLU A 7 0.006 -6.538 -13.893 1.00 10.00 H new ATOM 0 HB3 GLU A 7 1.642 -7.162 -13.952 1.00 10.00 H new ATOM 0 HG2 GLU A 7 1.332 -8.116 -11.646 1.00 10.00 H new ATOM 0 HG3 GLU A 7 -0.325 -7.545 -11.654 1.00 10.00 H new ATOM 107 N ASN A 8 2.803 -3.694 -13.322 1.00 10.00 N ATOM 108 CA ASN A 8 3.183 -2.535 -14.127 1.00 10.00 C ATOM 109 C ASN A 8 4.185 -2.914 -15.233 1.00 10.00 C ATOM 110 O ASN A 8 3.799 -3.169 -16.370 1.00 10.00 O ATOM 111 CB ASN A 8 3.672 -1.395 -13.210 1.00 10.00 C ATOM 112 CG ASN A 8 4.679 -1.838 -12.147 1.00 10.00 C ATOM 113 OD1 ASN A 8 5.885 -1.761 -12.366 1.00 10.00 O ATOM 114 ND2 ASN A 8 4.211 -2.394 -11.043 1.00 10.00 N ATOM 0 H ASN A 8 3.467 -3.911 -12.579 1.00 10.00 H new ATOM 0 HA ASN A 8 2.306 -2.163 -14.656 1.00 10.00 H new ATOM 0 HB2 ASN A 8 4.127 -0.618 -13.825 1.00 10.00 H new ATOM 0 HB3 ASN A 8 2.811 -0.946 -12.715 1.00 10.00 H new ATOM 0 HD21 ASN A 8 4.856 -2.772 -10.349 1.00 10.00 H new ATOM 0 HD22 ASN A 8 3.205 -2.445 -10.885 1.00 10.00 H new ATOM 121 N ALA A 9 5.477 -2.923 -14.899 1.00 10.00 N ATOM 122 CA ALA A 9 6.607 -3.030 -15.815 1.00 10.00 C ATOM 123 C ALA A 9 7.929 -3.052 -15.028 1.00 10.00 C ATOM 124 O ALA A 9 8.796 -3.882 -15.284 1.00 10.00 O ATOM 125 CB ALA A 9 6.591 -1.833 -16.769 1.00 10.00 C ATOM 0 H ALA A 9 5.776 -2.852 -13.926 1.00 10.00 H new ATOM 0 HA ALA A 9 6.526 -3.956 -16.384 1.00 10.00 H new ATOM 0 HB1 ALA A 9 7.433 -1.905 -17.458 1.00 10.00 H new ATOM 0 HB2 ALA A 9 5.659 -1.831 -17.334 1.00 10.00 H new ATOM 0 HB3 ALA A 9 6.670 -0.909 -16.195 1.00 10.00 H new ATOM 131 N ALA A 10 8.070 -2.159 -14.039 1.00 10.00 N ATOM 132 CA ALA A 10 9.270 -2.015 -13.215 1.00 10.00 C ATOM 133 C ALA A 10 9.226 -2.864 -11.930 1.00 10.00 C ATOM 134 O ALA A 10 9.883 -2.529 -10.943 1.00 10.00 O ATOM 135 CB ALA A 10 9.438 -0.525 -12.896 1.00 10.00 C ATOM 0 H ALA A 10 7.332 -1.502 -13.786 1.00 10.00 H new ATOM 0 HA ALA A 10 10.129 -2.390 -13.771 1.00 10.00 H new ATOM 0 HB1 ALA A 10 10.327 -0.383 -12.281 1.00 10.00 H new ATOM 0 HB2 ALA A 10 9.546 0.036 -13.824 1.00 10.00 H new ATOM 0 HB3 ALA A 10 8.561 -0.168 -12.356 1.00 10.00 H new ATOM 141 N GLY A 11 8.455 -3.958 -11.944 1.00 10.00 N ATOM 142 CA GLY A 11 8.241 -4.838 -10.798 1.00 10.00 C ATOM 143 C GLY A 11 6.805 -4.715 -10.299 1.00 10.00 C ATOM 144 O GLY A 11 6.407 -3.655 -9.809 1.00 10.00 O ATOM 0 H GLY A 11 7.951 -4.260 -12.778 1.00 10.00 H new ATOM 0 HA2 GLY A 11 8.448 -5.870 -11.080 1.00 10.00 H new ATOM 0 HA3 GLY A 11 8.935 -4.580 -9.998 1.00 10.00 H new ATOM 148 N ASN A 12 6.008 -5.784 -10.415 1.00 10.00 N ATOM 149 CA ASN A 12 4.662 -5.760 -9.855 1.00 10.00 C ATOM 150 C ASN A 12 4.712 -5.643 -8.333 1.00 10.00 C ATOM 151 O ASN A 12 5.755 -5.844 -7.715 1.00 10.00 O ATOM 152 CB ASN A 12 3.827 -6.976 -10.276 1.00 10.00 C ATOM 153 CG ASN A 12 4.152 -8.227 -9.478 1.00 10.00 C ATOM 154 OD1 ASN A 12 5.067 -8.968 -9.809 1.00 10.00 O ATOM 155 ND2 ASN A 12 3.407 -8.471 -8.408 1.00 10.00 N ATOM 0 H ASN A 12 6.267 -6.654 -10.880 1.00 10.00 H new ATOM 0 HA ASN A 12 4.167 -4.878 -10.262 1.00 10.00 H new ATOM 0 HB2 ASN A 12 2.769 -6.741 -10.158 1.00 10.00 H new ATOM 0 HB3 ASN A 12 3.993 -7.174 -11.335 1.00 10.00 H new ATOM 0 HD21 ASN A 12 3.591 -9.295 -7.836 1.00 10.00 H new ATOM 0 HD22 ASN A 12 2.651 -7.834 -8.157 1.00 10.00 H new ATOM 162 N VAL A 13 3.559 -5.356 -7.748 1.00 10.00 N ATOM 163 CA VAL A 13 3.371 -5.260 -6.310 1.00 10.00 C ATOM 164 C VAL A 13 2.218 -6.176 -5.869 1.00 10.00 C ATOM 165 O VAL A 13 1.542 -6.776 -6.710 1.00 10.00 O ATOM 166 CB VAL A 13 3.234 -3.767 -5.961 1.00 10.00 C ATOM 167 CG1 VAL A 13 2.070 -3.145 -6.720 1.00 10.00 C ATOM 168 CG2 VAL A 13 3.060 -3.447 -4.474 1.00 10.00 C ATOM 0 H VAL A 13 2.705 -5.179 -8.276 1.00 10.00 H new ATOM 0 HA VAL A 13 4.223 -5.630 -5.739 1.00 10.00 H new ATOM 0 HB VAL A 13 4.191 -3.340 -6.259 1.00 10.00 H new ATOM 0 HG11 VAL A 13 1.989 -2.089 -6.460 1.00 10.00 H new ATOM 0 HG12 VAL A 13 2.241 -3.243 -7.792 1.00 10.00 H new ATOM 0 HG13 VAL A 13 1.146 -3.657 -6.452 1.00 10.00 H new ATOM 0 HG21 VAL A 13 2.973 -2.369 -4.342 1.00 10.00 H new ATOM 0 HG22 VAL A 13 2.158 -3.932 -4.101 1.00 10.00 H new ATOM 0 HG23 VAL A 13 3.925 -3.812 -3.920 1.00 10.00 H new ATOM 178 N THR A 14 2.029 -6.282 -4.552 1.00 10.00 N ATOM 179 CA THR A 14 1.032 -7.041 -3.819 1.00 10.00 C ATOM 180 C THR A 14 0.426 -6.058 -2.824 1.00 10.00 C ATOM 181 O THR A 14 1.011 -5.747 -1.792 1.00 10.00 O ATOM 182 CB THR A 14 1.652 -8.239 -3.080 1.00 10.00 C ATOM 183 OG1 THR A 14 2.146 -9.165 -4.019 1.00 10.00 O ATOM 184 CG2 THR A 14 0.602 -8.971 -2.236 1.00 10.00 C ATOM 0 H THR A 14 2.642 -5.780 -3.910 1.00 10.00 H new ATOM 0 HA THR A 14 0.287 -7.460 -4.495 1.00 10.00 H new ATOM 0 HB THR A 14 2.445 -7.856 -2.438 1.00 10.00 H new ATOM 0 HG1 THR A 14 1.558 -9.181 -4.803 1.00 10.00 H new ATOM 0 HG21 THR A 14 1.069 -9.813 -1.725 1.00 10.00 H new ATOM 0 HG22 THR A 14 0.185 -8.285 -1.499 1.00 10.00 H new ATOM 0 HG23 THR A 14 -0.195 -9.336 -2.883 1.00 10.00 H new ATOM 192 N PHE A 15 -0.729 -5.526 -3.187 1.00 10.00 N ATOM 193 CA PHE A 15 -1.662 -4.852 -2.291 1.00 10.00 C ATOM 194 C PHE A 15 -2.257 -5.910 -1.349 1.00 10.00 C ATOM 195 O PHE A 15 -3.184 -6.637 -1.719 1.00 10.00 O ATOM 196 CB PHE A 15 -2.779 -4.180 -3.103 1.00 10.00 C ATOM 197 CG PHE A 15 -2.452 -2.900 -3.852 1.00 10.00 C ATOM 198 CD1 PHE A 15 -1.235 -2.741 -4.545 1.00 10.00 C ATOM 199 CD2 PHE A 15 -3.478 -1.953 -4.032 1.00 10.00 C ATOM 200 CE1 PHE A 15 -1.065 -1.673 -5.438 1.00 10.00 C ATOM 201 CE2 PHE A 15 -3.308 -0.888 -4.933 1.00 10.00 C ATOM 202 CZ PHE A 15 -2.116 -0.773 -5.664 1.00 10.00 C ATOM 0 H PHE A 15 -1.058 -5.551 -4.152 1.00 10.00 H new ATOM 0 HA PHE A 15 -1.148 -4.080 -1.718 1.00 10.00 H new ATOM 0 HB2 PHE A 15 -3.146 -4.906 -3.829 1.00 10.00 H new ATOM 0 HB3 PHE A 15 -3.603 -3.966 -2.422 1.00 10.00 H new ATOM 0 HD1 PHE A 15 -0.430 -3.444 -4.388 1.00 10.00 H new ATOM 0 HD2 PHE A 15 -4.399 -2.045 -3.476 1.00 10.00 H new ATOM 0 HE1 PHE A 15 -0.124 -1.544 -5.952 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -4.094 -0.159 -5.063 1.00 10.00 H new ATOM 0 HZ PHE A 15 -2.008 0.009 -6.401 1.00 10.00 H new ATOM 212 N ASP A 16 -1.724 -6.004 -0.131 1.00 10.00 N ATOM 213 CA ASP A 16 -1.938 -7.102 0.802 1.00 10.00 C ATOM 214 C ASP A 16 -3.272 -6.914 1.540 1.00 10.00 C ATOM 215 O ASP A 16 -3.339 -6.890 2.766 1.00 10.00 O ATOM 216 CB ASP A 16 -0.713 -7.239 1.745 1.00 10.00 C ATOM 217 CG ASP A 16 0.515 -6.401 1.397 1.00 10.00 C ATOM 218 OD1 ASP A 16 0.328 -5.173 1.241 1.00 10.00 O ATOM 219 OD2 ASP A 16 1.608 -6.995 1.342 1.00 10.00 O ATOM 0 H ASP A 16 -1.106 -5.285 0.245 1.00 10.00 H new ATOM 0 HA ASP A 16 -2.019 -8.047 0.265 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -1.029 -6.977 2.755 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -0.415 -8.287 1.766 1.00 10.00 H new ATOM 224 N HIS A 17 -4.357 -6.782 0.774 1.00 10.00 N ATOM 225 CA HIS A 17 -5.640 -6.266 1.235 1.00 10.00 C ATOM 226 C HIS A 17 -6.089 -6.923 2.539 1.00 10.00 C ATOM 227 O HIS A 17 -6.530 -6.261 3.475 1.00 10.00 O ATOM 228 CB HIS A 17 -6.683 -6.507 0.136 1.00 10.00 C ATOM 229 CG HIS A 17 -7.694 -5.410 -0.016 1.00 10.00 C ATOM 230 ND1 HIS A 17 -8.369 -5.104 -1.167 1.00 10.00 N ATOM 231 CD2 HIS A 17 -8.043 -4.488 0.924 1.00 10.00 C ATOM 232 CE1 HIS A 17 -9.075 -3.988 -0.932 1.00 10.00 C ATOM 233 NE2 HIS A 17 -8.888 -3.550 0.329 1.00 10.00 N ATOM 0 H HIS A 17 -4.363 -7.040 -0.213 1.00 10.00 H new ATOM 0 HA HIS A 17 -5.534 -5.200 1.438 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -6.166 -6.641 -0.814 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -7.207 -7.439 0.348 1.00 10.00 H new ATOM 0 HD1 HIS A 17 -8.340 -5.628 -2.042 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -7.721 -4.484 1.955 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -9.710 -3.503 -1.658 1.00 10.00 H new ATOM 241 N LYS A 18 -5.952 -8.249 2.565 1.00 10.00 N ATOM 242 CA LYS A 18 -6.303 -9.088 3.698 1.00 10.00 C ATOM 243 C LYS A 18 -5.143 -9.165 4.705 1.00 10.00 C ATOM 244 O LYS A 18 -5.311 -8.809 5.863 1.00 10.00 O ATOM 245 CB LYS A 18 -6.742 -10.458 3.167 1.00 10.00 C ATOM 246 CG LYS A 18 -7.787 -11.119 4.080 1.00 10.00 C ATOM 247 CD LYS A 18 -7.951 -12.607 3.729 1.00 10.00 C ATOM 248 CE LYS A 18 -9.303 -13.177 4.180 1.00 10.00 C ATOM 249 NZ LYS A 18 -10.388 -12.821 3.237 1.00 10.00 N ATOM 0 H LYS A 18 -5.583 -8.778 1.775 1.00 10.00 H new ATOM 0 HA LYS A 18 -7.137 -8.658 4.252 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -7.156 -10.343 2.165 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -5.872 -11.109 3.080 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -7.483 -11.017 5.122 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -8.744 -10.608 3.975 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -7.849 -12.735 2.651 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -7.147 -13.177 4.196 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -9.232 -14.262 4.261 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -9.545 -12.798 5.173 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -11.246 -13.358 3.477 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -10.586 -11.802 3.305 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -10.094 -13.053 2.267 1.00 10.00 H new ATOM 263 N ALA A 19 -3.952 -9.591 4.274 1.00 10.00 N ATOM 264 CA ALA A 19 -2.799 -9.799 5.154 1.00 10.00 C ATOM 265 C ALA A 19 -2.419 -8.555 5.971 1.00 10.00 C ATOM 266 O ALA A 19 -2.141 -8.658 7.164 1.00 10.00 O ATOM 267 CB ALA A 19 -1.614 -10.276 4.312 1.00 10.00 C ATOM 0 H ALA A 19 -3.760 -9.803 3.295 1.00 10.00 H new ATOM 0 HA ALA A 19 -3.077 -10.557 5.887 1.00 10.00 H new ATOM 0 HB1 ALA A 19 -0.750 -10.434 4.957 1.00 10.00 H new ATOM 0 HB2 ALA A 19 -1.873 -11.212 3.816 1.00 10.00 H new ATOM 0 HB3 ALA A 19 -1.374 -9.522 3.562 1.00 10.00 H new ATOM 273 N HIS A 20 -2.422 -7.369 5.354 1.00 10.00 N ATOM 274 CA HIS A 20 -2.330 -6.124 6.106 1.00 10.00 C ATOM 275 C HIS A 20 -3.522 -5.990 7.072 1.00 10.00 C ATOM 276 O HIS A 20 -3.317 -5.823 8.273 1.00 10.00 O ATOM 277 CB HIS A 20 -2.183 -4.908 5.170 1.00 10.00 C ATOM 278 CG HIS A 20 -0.771 -4.632 4.704 1.00 10.00 C ATOM 279 ND1 HIS A 20 0.219 -5.572 4.600 1.00 10.00 N ATOM 280 CD2 HIS A 20 -0.211 -3.413 4.397 1.00 10.00 C ATOM 281 CE1 HIS A 20 1.340 -4.936 4.234 1.00 10.00 C ATOM 282 NE2 HIS A 20 1.149 -3.607 4.101 1.00 10.00 N ATOM 0 H HIS A 20 -2.487 -7.250 4.343 1.00 10.00 H new ATOM 0 HA HIS A 20 -1.424 -6.150 6.712 1.00 10.00 H new ATOM 0 HB2 HIS A 20 -2.815 -5.062 4.296 1.00 10.00 H new ATOM 0 HB3 HIS A 20 -2.560 -4.024 5.684 1.00 10.00 H new ATOM 0 HD2 HIS A 20 -0.730 -2.466 4.385 1.00 10.00 H new ATOM 0 HE1 HIS A 20 2.286 -5.429 4.065 1.00 10.00 H new ATOM 0 HE2 HIS A 20 1.838 -2.901 3.843 1.00 10.00 H new ATOM 290 N ALA A 21 -4.765 -6.096 6.582 1.00 10.00 N ATOM 291 CA ALA A 21 -5.973 -5.992 7.407 1.00 10.00 C ATOM 292 C ALA A 21 -5.952 -6.856 8.673 1.00 10.00 C ATOM 293 O ALA A 21 -6.338 -6.374 9.735 1.00 10.00 O ATOM 294 CB ALA A 21 -7.219 -6.310 6.589 1.00 10.00 C ATOM 0 H ALA A 21 -4.960 -6.258 5.594 1.00 10.00 H new ATOM 0 HA ALA A 21 -5.997 -4.955 7.743 1.00 10.00 H new ATOM 0 HB1 ALA A 21 -8.102 -6.226 7.223 1.00 10.00 H new ATOM 0 HB2 ALA A 21 -7.299 -5.607 5.760 1.00 10.00 H new ATOM 0 HB3 ALA A 21 -7.148 -7.325 6.198 1.00 10.00 H new ATOM 300 N GLU A 22 -5.480 -8.102 8.570 1.00 10.00 N ATOM 301 CA GLU A 22 -5.304 -9.024 9.691 1.00 10.00 C ATOM 302 C GLU A 22 -4.583 -8.375 10.895 1.00 10.00 C ATOM 303 O GLU A 22 -4.849 -8.735 12.039 1.00 10.00 O ATOM 304 CB GLU A 22 -4.567 -10.278 9.186 1.00 10.00 C ATOM 305 CG GLU A 22 -5.407 -11.147 8.228 1.00 10.00 C ATOM 306 CD GLU A 22 -6.583 -11.850 8.890 1.00 10.00 C ATOM 307 OE1 GLU A 22 -6.316 -12.678 9.788 1.00 10.00 O ATOM 308 OE2 GLU A 22 -7.722 -11.572 8.457 1.00 10.00 O ATOM 0 H GLU A 22 -5.202 -8.507 7.676 1.00 10.00 H new ATOM 0 HA GLU A 22 -6.287 -9.305 10.068 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.653 -9.971 8.677 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -4.268 -10.882 10.042 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.782 -10.518 7.420 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -4.759 -11.897 7.774 1.00 10.00 H new ATOM 315 N LYS A 23 -3.692 -7.402 10.649 1.00 10.00 N ATOM 316 CA LYS A 23 -3.088 -6.557 11.684 1.00 10.00 C ATOM 317 C LYS A 23 -3.758 -5.174 11.789 1.00 10.00 C ATOM 318 O LYS A 23 -3.995 -4.676 12.887 1.00 10.00 O ATOM 319 CB LYS A 23 -1.579 -6.420 11.408 1.00 10.00 C ATOM 320 CG LYS A 23 -0.768 -7.201 12.447 1.00 10.00 C ATOM 321 CD LYS A 23 0.733 -7.061 12.149 1.00 10.00 C ATOM 322 CE LYS A 23 1.607 -7.716 13.227 1.00 10.00 C ATOM 323 NZ LYS A 23 1.531 -6.992 14.516 1.00 10.00 N ATOM 0 H LYS A 23 -3.367 -7.179 9.708 1.00 10.00 H new ATOM 0 HA LYS A 23 -3.245 -7.041 12.648 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -1.352 -6.790 10.408 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -1.293 -5.368 11.431 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -0.986 -6.827 13.447 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -1.055 -8.252 12.430 1.00 10.00 H new ATOM 0 HD2 LYS A 23 0.953 -7.514 11.182 1.00 10.00 H new ATOM 0 HD3 LYS A 23 0.988 -6.004 12.071 1.00 10.00 H new ATOM 0 HE2 LYS A 23 1.291 -8.749 13.372 1.00 10.00 H new ATOM 0 HE3 LYS A 23 2.642 -7.744 12.887 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 2.246 -7.371 15.169 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 1.709 -5.980 14.357 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 0.585 -7.116 14.929 1.00 10.00 H new ATOM 337 N LEU A 24 -4.002 -4.526 10.649 1.00 10.00 N ATOM 338 CA LEU A 24 -4.407 -3.127 10.541 1.00 10.00 C ATOM 339 C LEU A 24 -5.874 -2.837 10.907 1.00 10.00 C ATOM 340 O LEU A 24 -6.177 -1.761 11.416 1.00 10.00 O ATOM 341 CB LEU A 24 -4.167 -2.670 9.103 1.00 10.00 C ATOM 342 CG LEU A 24 -2.714 -2.538 8.626 1.00 10.00 C ATOM 343 CD1 LEU A 24 -2.779 -1.839 7.264 1.00 10.00 C ATOM 344 CD2 LEU A 24 -1.833 -1.722 9.578 1.00 10.00 C ATOM 0 H LEU A 24 -3.919 -4.981 9.740 1.00 10.00 H new ATOM 0 HA LEU A 24 -3.807 -2.582 11.270 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -4.675 -3.371 8.440 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -4.651 -1.702 8.974 1.00 10.00 H new ATOM 0 HG LEU A 24 -2.260 -3.528 8.579 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -1.770 -1.715 6.870 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -3.367 -2.443 6.573 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -3.246 -0.861 7.379 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -0.820 -1.669 9.180 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -2.238 -0.715 9.675 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -1.814 -2.201 10.557 1.00 10.00 H new ATOM 356 N GLY A 25 -6.803 -3.741 10.588 1.00 10.00 N ATOM 357 CA GLY A 25 -8.222 -3.585 10.914 1.00 10.00 C ATOM 358 C GLY A 25 -9.021 -2.640 10.008 1.00 10.00 C ATOM 359 O GLY A 25 -9.936 -1.975 10.484 1.00 10.00 O ATOM 0 H GLY A 25 -6.590 -4.607 10.093 1.00 10.00 H new ATOM 0 HA2 GLY A 25 -8.691 -4.568 10.884 1.00 10.00 H new ATOM 0 HA3 GLY A 25 -8.301 -3.226 11.940 1.00 10.00 H new ATOM 363 N CYS A 26 -8.703 -2.613 8.706 1.00 10.00 N ATOM 364 CA CYS A 26 -9.350 -1.851 7.624 1.00 10.00 C ATOM 365 C CYS A 26 -9.222 -0.327 7.765 1.00 10.00 C ATOM 366 O CYS A 26 -8.718 0.334 6.859 1.00 10.00 O ATOM 367 CB CYS A 26 -10.801 -2.222 7.435 1.00 10.00 C ATOM 368 SG CYS A 26 -11.174 -4.002 7.407 1.00 10.00 S ATOM 0 H CYS A 26 -7.924 -3.168 8.352 1.00 10.00 H new ATOM 0 HA CYS A 26 -8.793 -2.142 6.734 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -11.380 -1.763 8.236 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -11.148 -1.784 6.499 1.00 10.00 H new ATOM 0 HG CYS A 26 -12.452 -4.175 7.241 1.00 10.00 H new ATOM 373 N ASP A 27 -9.692 0.221 8.890 1.00 10.00 N ATOM 374 CA ASP A 27 -9.693 1.623 9.282 1.00 10.00 C ATOM 375 C ASP A 27 -8.377 2.313 8.903 1.00 10.00 C ATOM 376 O ASP A 27 -8.370 3.342 8.232 1.00 10.00 O ATOM 377 CB ASP A 27 -9.952 1.645 10.793 1.00 10.00 C ATOM 378 CG ASP A 27 -9.897 3.053 11.356 1.00 10.00 C ATOM 379 OD1 ASP A 27 -10.950 3.722 11.308 1.00 10.00 O ATOM 380 OD2 ASP A 27 -8.798 3.419 11.821 1.00 10.00 O ATOM 0 H ASP A 27 -10.118 -0.363 9.610 1.00 10.00 H new ATOM 0 HA ASP A 27 -10.467 2.182 8.756 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -10.929 1.209 11.000 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -9.212 1.023 11.297 1.00 10.00 H new ATOM 385 N ALA A 28 -7.266 1.649 9.227 1.00 10.00 N ATOM 386 CA ALA A 28 -5.907 2.045 8.871 1.00 10.00 C ATOM 387 C ALA A 28 -5.706 2.523 7.419 1.00 10.00 C ATOM 388 O ALA A 28 -4.820 3.335 7.162 1.00 10.00 O ATOM 389 CB ALA A 28 -5.036 0.822 9.096 1.00 10.00 C ATOM 0 H ALA A 28 -7.293 0.784 9.768 1.00 10.00 H new ATOM 0 HA ALA A 28 -5.652 2.906 9.488 1.00 10.00 H new ATOM 0 HB1 ALA A 28 -4.002 1.060 8.845 1.00 10.00 H new ATOM 0 HB2 ALA A 28 -5.095 0.521 10.142 1.00 10.00 H new ATOM 0 HB3 ALA A 28 -5.384 0.006 8.463 1.00 10.00 H new ATOM 395 N CYS A 29 -6.476 1.985 6.464 1.00 10.00 N ATOM 396 CA CYS A 29 -6.435 2.365 5.051 1.00 10.00 C ATOM 397 C CYS A 29 -7.755 3.012 4.603 1.00 10.00 C ATOM 398 O CYS A 29 -7.895 3.418 3.451 1.00 10.00 O ATOM 399 CB CYS A 29 -6.206 1.133 4.219 1.00 10.00 C ATOM 400 SG CYS A 29 -4.544 0.396 4.398 1.00 10.00 S ATOM 0 H CYS A 29 -7.161 1.255 6.661 1.00 10.00 H new ATOM 0 HA CYS A 29 -5.629 3.087 4.919 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -6.952 0.385 4.487 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -6.368 1.383 3.170 1.00 10.00 H new ATOM 0 HG CYS A 29 -4.453 -0.658 3.643 1.00 10.00 H new ATOM 405 N HIS A 30 -8.747 3.065 5.491 1.00 10.00 N ATOM 406 CA HIS A 30 -10.116 3.402 5.168 1.00 10.00 C ATOM 407 C HIS A 30 -10.790 4.143 6.319 1.00 10.00 C ATOM 408 O HIS A 30 -11.718 3.636 6.950 1.00 10.00 O ATOM 409 CB HIS A 30 -10.865 2.117 4.809 1.00 10.00 C ATOM 410 CG HIS A 30 -10.463 1.448 3.528 1.00 10.00 C ATOM 411 ND1 HIS A 30 -10.556 1.978 2.269 1.00 10.00 N ATOM 412 CD2 HIS A 30 -10.140 0.133 3.385 1.00 10.00 C ATOM 413 CE1 HIS A 30 -10.263 1.000 1.384 1.00 10.00 C ATOM 414 NE2 HIS A 30 -10.005 -0.156 2.016 1.00 10.00 N ATOM 0 H HIS A 30 -8.607 2.867 6.482 1.00 10.00 H new ATOM 0 HA HIS A 30 -10.134 4.078 4.313 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -10.732 1.405 5.623 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -11.930 2.345 4.756 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -10.009 -0.573 4.192 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -10.240 1.131 0.312 1.00 10.00 H new ATOM 0 HE2 HIS A 30 -9.763 -1.052 1.593 1.00 10.00 H new ATOM 422 N GLU A 31 -10.352 5.381 6.528 1.00 10.00 N ATOM 423 CA GLU A 31 -10.840 6.231 7.591 1.00 10.00 C ATOM 424 C GLU A 31 -12.288 6.708 7.362 1.00 10.00 C ATOM 425 O GLU A 31 -12.532 7.869 7.037 1.00 10.00 O ATOM 426 CB GLU A 31 -9.873 7.406 7.723 1.00 10.00 C ATOM 427 CG GLU A 31 -8.507 6.989 8.288 1.00 10.00 C ATOM 428 CD GLU A 31 -7.581 8.186 8.468 1.00 10.00 C ATOM 429 OE1 GLU A 31 -7.874 8.999 9.371 1.00 10.00 O ATOM 430 OE2 GLU A 31 -6.612 8.276 7.686 1.00 10.00 O ATOM 0 H GLU A 31 -9.636 5.822 5.950 1.00 10.00 H new ATOM 0 HA GLU A 31 -10.876 5.660 8.519 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -9.732 7.867 6.745 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -10.314 8.163 8.371 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -8.647 6.490 9.247 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -8.041 6.266 7.618 1.00 10.00 H new ATOM 437 N GLY A 32 -13.255 5.805 7.532 1.00 10.00 N ATOM 438 CA GLY A 32 -14.683 6.094 7.433 1.00 10.00 C ATOM 439 C GLY A 32 -15.442 4.981 6.713 1.00 10.00 C ATOM 440 O GLY A 32 -16.285 4.316 7.312 1.00 10.00 O ATOM 0 H GLY A 32 -13.060 4.827 7.748 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -15.096 6.227 8.433 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -14.827 7.034 6.901 1.00 10.00 H new ATOM 444 N THR A 33 -15.158 4.786 5.421 1.00 10.00 N ATOM 445 CA THR A 33 -15.809 3.778 4.583 1.00 10.00 C ATOM 446 C THR A 33 -14.792 3.054 3.683 1.00 10.00 C ATOM 447 O THR A 33 -13.834 3.665 3.207 1.00 10.00 O ATOM 448 CB THR A 33 -16.917 4.411 3.724 1.00 10.00 C ATOM 449 OG1 THR A 33 -16.380 5.421 2.899 1.00 10.00 O ATOM 450 CG2 THR A 33 -18.029 5.030 4.576 1.00 10.00 C ATOM 0 H THR A 33 -14.458 5.334 4.922 1.00 10.00 H new ATOM 0 HA THR A 33 -16.259 3.042 5.250 1.00 10.00 H new ATOM 0 HB THR A 33 -17.342 3.607 3.123 1.00 10.00 H new ATOM 0 HG1 THR A 33 -17.095 5.815 2.356 1.00 10.00 H new ATOM 0 HG21 THR A 33 -18.788 5.464 3.925 1.00 10.00 H new ATOM 0 HG22 THR A 33 -18.483 4.259 5.198 1.00 10.00 H new ATOM 0 HG23 THR A 33 -17.609 5.809 5.213 1.00 10.00 H new ATOM 458 N PRO A 34 -14.974 1.745 3.442 1.00 10.00 N ATOM 459 CA PRO A 34 -14.156 0.992 2.507 1.00 10.00 C ATOM 460 C PRO A 34 -14.653 1.194 1.069 1.00 10.00 C ATOM 461 O PRO A 34 -15.774 0.816 0.737 1.00 10.00 O ATOM 462 CB PRO A 34 -14.291 -0.459 2.959 1.00 10.00 C ATOM 463 CG PRO A 34 -15.683 -0.534 3.577 1.00 10.00 C ATOM 464 CD PRO A 34 -15.908 0.869 4.135 1.00 10.00 C ATOM 0 HA PRO A 34 -13.114 1.313 2.504 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -14.191 -1.148 2.120 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -13.520 -0.723 3.683 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -16.437 -0.795 2.835 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -15.733 -1.289 4.361 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -16.936 1.191 3.971 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -15.735 0.891 5.211 1.00 10.00 H new ATOM 472 N ALA A 35 -13.817 1.779 0.204 1.00 10.00 N ATOM 473 CA ALA A 35 -14.147 2.061 -1.192 1.00 10.00 C ATOM 474 C ALA A 35 -12.883 2.051 -2.065 1.00 10.00 C ATOM 475 O ALA A 35 -11.766 1.974 -1.547 1.00 10.00 O ATOM 476 CB ALA A 35 -14.873 3.409 -1.268 1.00 10.00 C ATOM 0 H ALA A 35 -12.875 2.074 0.462 1.00 10.00 H new ATOM 0 HA ALA A 35 -14.805 1.283 -1.578 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -15.124 3.629 -2.306 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -15.787 3.364 -0.675 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -14.225 4.194 -0.877 1.00 10.00 H new ATOM 482 N LYS A 36 -13.041 2.117 -3.395 1.00 10.00 N ATOM 483 CA LYS A 36 -11.895 2.066 -4.299 1.00 10.00 C ATOM 484 C LYS A 36 -11.091 3.376 -4.348 1.00 10.00 C ATOM 485 O LYS A 36 -11.337 4.243 -5.184 1.00 10.00 O ATOM 486 CB LYS A 36 -12.268 1.608 -5.713 1.00 10.00 C ATOM 487 CG LYS A 36 -12.693 0.135 -5.775 1.00 10.00 C ATOM 488 CD LYS A 36 -12.918 -0.496 -7.164 1.00 10.00 C ATOM 489 CE LYS A 36 -12.555 0.330 -8.409 1.00 10.00 C ATOM 490 NZ LYS A 36 -11.104 0.611 -8.500 1.00 10.00 N ATOM 0 H LYS A 36 -13.944 2.205 -3.860 1.00 10.00 H new ATOM 0 HA LYS A 36 -11.243 1.307 -3.866 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -13.080 2.231 -6.088 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -11.416 1.763 -6.375 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -11.934 -0.454 -5.260 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -13.617 0.030 -5.207 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -12.348 -1.424 -7.203 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -13.971 -0.765 -7.240 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -12.875 -0.206 -9.303 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -13.104 1.272 -8.389 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -10.953 1.637 -8.581 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -10.628 0.258 -7.646 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -10.710 0.136 -9.337 1.00 10.00 H new ATOM 504 N ILE A 37 -10.083 3.481 -3.483 1.00 10.00 N ATOM 505 CA ILE A 37 -9.087 4.554 -3.503 1.00 10.00 C ATOM 506 C ILE A 37 -8.219 4.467 -4.774 1.00 10.00 C ATOM 507 O ILE A 37 -7.845 3.374 -5.196 1.00 10.00 O ATOM 508 CB ILE A 37 -8.222 4.467 -2.228 1.00 10.00 C ATOM 509 CG1 ILE A 37 -9.085 4.604 -0.958 1.00 10.00 C ATOM 510 CG2 ILE A 37 -7.139 5.561 -2.233 1.00 10.00 C ATOM 511 CD1 ILE A 37 -8.372 4.068 0.287 1.00 10.00 C ATOM 0 H ILE A 37 -9.932 2.808 -2.732 1.00 10.00 H new ATOM 0 HA ILE A 37 -9.593 5.519 -3.521 1.00 10.00 H new ATOM 0 HB ILE A 37 -7.745 3.487 -2.222 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -9.340 5.653 -0.805 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -10.022 4.065 -1.098 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -6.539 5.483 -1.326 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -6.497 5.433 -3.105 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -7.613 6.542 -2.272 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -9.019 4.186 1.156 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -8.141 3.012 0.148 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -7.448 4.624 0.445 1.00 10.00 H new ATOM 523 N ALA A 38 -7.876 5.610 -5.385 1.00 10.00 N ATOM 524 CA ALA A 38 -7.039 5.652 -6.585 1.00 10.00 C ATOM 525 C ALA A 38 -5.534 5.603 -6.274 1.00 10.00 C ATOM 526 O ALA A 38 -4.942 6.556 -5.762 1.00 10.00 O ATOM 527 CB ALA A 38 -7.380 6.879 -7.425 1.00 10.00 C ATOM 0 H ALA A 38 -8.173 6.530 -5.058 1.00 10.00 H new ATOM 0 HA ALA A 38 -7.261 4.751 -7.156 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -6.750 6.898 -8.314 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -8.428 6.836 -7.723 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -7.206 7.781 -6.838 1.00 10.00 H new ATOM 533 N ILE A 39 -4.913 4.478 -6.618 1.00 10.00 N ATOM 534 CA ILE A 39 -3.514 4.176 -6.339 1.00 10.00 C ATOM 535 C ILE A 39 -2.645 4.279 -7.599 1.00 10.00 C ATOM 536 O ILE A 39 -2.773 3.470 -8.515 1.00 10.00 O ATOM 537 CB ILE A 39 -3.428 2.800 -5.677 1.00 10.00 C ATOM 538 CG1 ILE A 39 -4.304 2.749 -4.412 1.00 10.00 C ATOM 539 CG2 ILE A 39 -1.968 2.470 -5.347 1.00 10.00 C ATOM 540 CD1 ILE A 39 -3.950 3.772 -3.323 1.00 10.00 C ATOM 0 H ILE A 39 -5.388 3.725 -7.116 1.00 10.00 H new ATOM 0 HA ILE A 39 -3.114 4.920 -5.650 1.00 10.00 H new ATOM 0 HB ILE A 39 -3.805 2.050 -6.373 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -5.343 2.900 -4.704 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -4.235 1.749 -3.983 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -1.914 1.489 -4.876 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -1.380 2.465 -6.265 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -1.570 3.222 -4.666 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -4.626 3.651 -2.477 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -2.924 3.612 -2.993 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -4.049 4.780 -3.725 1.00 10.00 H new ATOM 552 N ASP A 40 -1.751 5.272 -7.616 1.00 10.00 N ATOM 553 CA ASP A 40 -0.804 5.532 -8.699 1.00 10.00 C ATOM 554 C ASP A 40 0.483 6.167 -8.136 1.00 10.00 C ATOM 555 O ASP A 40 0.549 6.497 -6.949 1.00 10.00 O ATOM 556 CB ASP A 40 -1.499 6.435 -9.736 1.00 10.00 C ATOM 557 CG ASP A 40 -0.654 6.763 -10.958 1.00 10.00 C ATOM 558 OD1 ASP A 40 0.195 5.913 -11.304 1.00 10.00 O ATOM 559 OD2 ASP A 40 -0.793 7.897 -11.463 1.00 10.00 O ATOM 0 H ASP A 40 -1.666 5.939 -6.849 1.00 10.00 H new ATOM 0 HA ASP A 40 -0.506 4.605 -9.188 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -2.417 5.948 -10.065 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -1.789 7.367 -9.251 1.00 10.00 H new ATOM 564 N LYS A 41 1.481 6.375 -9.000 1.00 10.00 N ATOM 565 CA LYS A 41 2.765 7.053 -8.770 1.00 10.00 C ATOM 566 C LYS A 41 2.606 8.560 -8.469 1.00 10.00 C ATOM 567 O LYS A 41 3.226 9.417 -9.094 1.00 10.00 O ATOM 568 CB LYS A 41 3.674 6.788 -9.984 1.00 10.00 C ATOM 569 CG LYS A 41 3.171 7.431 -11.294 1.00 10.00 C ATOM 570 CD LYS A 41 3.672 6.635 -12.506 1.00 10.00 C ATOM 571 CE LYS A 41 3.025 7.125 -13.805 1.00 10.00 C ATOM 572 NZ LYS A 41 3.516 6.350 -14.966 1.00 10.00 N ATOM 0 H LYS A 41 1.407 6.046 -9.962 1.00 10.00 H new ATOM 0 HA LYS A 41 3.227 6.643 -7.872 1.00 10.00 H new ATOM 0 HB2 LYS A 41 4.673 7.165 -9.766 1.00 10.00 H new ATOM 0 HB3 LYS A 41 3.764 5.712 -10.130 1.00 10.00 H new ATOM 0 HG2 LYS A 41 2.081 7.462 -11.296 1.00 10.00 H new ATOM 0 HG3 LYS A 41 3.520 8.462 -11.358 1.00 10.00 H new ATOM 0 HD2 LYS A 41 4.756 6.727 -12.581 1.00 10.00 H new ATOM 0 HD3 LYS A 41 3.451 5.577 -12.365 1.00 10.00 H new ATOM 0 HE2 LYS A 41 1.941 7.033 -13.733 1.00 10.00 H new ATOM 0 HE3 LYS A 41 3.246 8.183 -13.949 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 3.063 6.701 -15.834 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 4.547 6.459 -15.045 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 3.283 5.345 -14.836 1.00 10.00 H new ATOM 586 N LYS A 42 1.756 8.873 -7.492 1.00 10.00 N ATOM 587 CA LYS A 42 1.207 10.197 -7.222 1.00 10.00 C ATOM 588 C LYS A 42 0.523 10.185 -5.846 1.00 10.00 C ATOM 589 O LYS A 42 0.749 11.071 -5.026 1.00 10.00 O ATOM 590 CB LYS A 42 0.234 10.575 -8.355 1.00 10.00 C ATOM 591 CG LYS A 42 0.131 12.093 -8.553 1.00 10.00 C ATOM 592 CD LYS A 42 -0.707 12.378 -9.807 1.00 10.00 C ATOM 593 CE LYS A 42 -0.683 13.872 -10.158 1.00 10.00 C ATOM 594 NZ LYS A 42 -1.412 14.139 -11.418 1.00 10.00 N ATOM 0 H LYS A 42 1.415 8.172 -6.834 1.00 10.00 H new ATOM 0 HA LYS A 42 1.994 10.950 -7.194 1.00 10.00 H new ATOM 0 HB2 LYS A 42 0.565 10.111 -9.284 1.00 10.00 H new ATOM 0 HB3 LYS A 42 -0.754 10.172 -8.132 1.00 10.00 H new ATOM 0 HG2 LYS A 42 -0.329 12.556 -7.680 1.00 10.00 H new ATOM 0 HG3 LYS A 42 1.125 12.527 -8.658 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -0.322 11.798 -10.645 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -1.735 12.056 -9.642 1.00 10.00 H new ATOM 0 HE2 LYS A 42 -1.132 14.446 -9.347 1.00 10.00 H new ATOM 0 HE3 LYS A 42 0.349 14.209 -10.254 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -1.379 15.157 -11.629 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -0.968 13.609 -12.195 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -2.403 13.839 -11.316 1.00 10.00 H new ATOM 608 N SER A 43 -0.268 9.138 -5.580 1.00 10.00 N ATOM 609 CA SER A 43 -0.754 8.766 -4.255 1.00 10.00 C ATOM 610 C SER A 43 0.233 7.803 -3.574 1.00 10.00 C ATOM 611 O SER A 43 0.828 8.140 -2.547 1.00 10.00 O ATOM 612 CB SER A 43 -2.155 8.154 -4.410 1.00 10.00 C ATOM 613 OG SER A 43 -2.191 7.193 -5.455 1.00 10.00 O ATOM 0 H SER A 43 -0.596 8.507 -6.311 1.00 10.00 H new ATOM 0 HA SER A 43 -0.826 9.642 -3.611 1.00 10.00 H new ATOM 0 HB2 SER A 43 -2.454 7.685 -3.473 1.00 10.00 H new ATOM 0 HB3 SER A 43 -2.877 8.944 -4.616 1.00 10.00 H new ATOM 0 HG SER A 43 -3.122 7.005 -5.694 1.00 10.00 H new ATOM 619 N ALA A 44 0.436 6.626 -4.182 1.00 10.00 N ATOM 620 CA ALA A 44 1.283 5.533 -3.691 1.00 10.00 C ATOM 621 C ALA A 44 2.676 5.999 -3.258 1.00 10.00 C ATOM 622 O ALA A 44 3.197 5.613 -2.216 1.00 10.00 O ATOM 623 CB ALA A 44 1.440 4.476 -4.790 1.00 10.00 C ATOM 0 H ALA A 44 -0.008 6.401 -5.072 1.00 10.00 H new ATOM 0 HA ALA A 44 0.786 5.122 -2.812 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.069 3.664 -4.426 1.00 10.00 H new ATOM 0 HB2 ALA A 44 0.460 4.083 -5.060 1.00 10.00 H new ATOM 0 HB3 ALA A 44 1.903 4.929 -5.667 1.00 10.00 H new ATOM 629 N HIS A 45 3.302 6.815 -4.108 1.00 10.00 N ATOM 630 CA HIS A 45 4.649 7.319 -3.884 1.00 10.00 C ATOM 631 C HIS A 45 4.701 8.532 -2.937 1.00 10.00 C ATOM 632 O HIS A 45 5.780 8.863 -2.451 1.00 10.00 O ATOM 633 CB HIS A 45 5.292 7.658 -5.230 1.00 10.00 C ATOM 634 CG HIS A 45 5.648 6.487 -6.116 1.00 10.00 C ATOM 635 ND1 HIS A 45 6.240 6.631 -7.346 1.00 10.00 N ATOM 636 CD2 HIS A 45 5.630 5.143 -5.819 1.00 10.00 C ATOM 637 CE1 HIS A 45 6.577 5.408 -7.775 1.00 10.00 C ATOM 638 NE2 HIS A 45 6.226 4.462 -6.887 1.00 10.00 N ATOM 0 H HIS A 45 2.881 7.144 -4.977 1.00 10.00 H new ATOM 0 HA HIS A 45 5.210 6.529 -3.385 1.00 10.00 H new ATOM 0 HB2 HIS A 45 4.612 8.309 -5.780 1.00 10.00 H new ATOM 0 HB3 HIS A 45 6.199 8.232 -5.041 1.00 10.00 H new ATOM 0 HD2 HIS A 45 5.228 4.694 -4.923 1.00 10.00 H new ATOM 0 HE1 HIS A 45 7.069 5.207 -8.715 1.00 10.00 H new ATOM 0 HE2 HIS A 45 6.365 3.455 -6.974 1.00 10.00 H new ATOM 646 N LYS A 46 3.567 9.182 -2.646 1.00 10.00 N ATOM 647 CA LYS A 46 3.526 10.259 -1.661 1.00 10.00 C ATOM 648 C LYS A 46 3.334 9.706 -0.247 1.00 10.00 C ATOM 649 O LYS A 46 4.204 9.869 0.611 1.00 10.00 O ATOM 650 CB LYS A 46 2.392 11.247 -1.978 1.00 10.00 C ATOM 651 CG LYS A 46 2.812 12.361 -2.945 1.00 10.00 C ATOM 652 CD LYS A 46 1.743 13.467 -2.964 1.00 10.00 C ATOM 653 CE LYS A 46 1.876 14.404 -1.749 1.00 10.00 C ATOM 654 NZ LYS A 46 0.703 15.293 -1.608 1.00 10.00 N ATOM 0 H LYS A 46 2.668 8.977 -3.081 1.00 10.00 H new ATOM 0 HA LYS A 46 4.482 10.781 -1.710 1.00 10.00 H new ATOM 0 HB2 LYS A 46 1.552 10.700 -2.407 1.00 10.00 H new ATOM 0 HB3 LYS A 46 2.039 11.695 -1.049 1.00 10.00 H new ATOM 0 HG2 LYS A 46 3.772 12.776 -2.640 1.00 10.00 H new ATOM 0 HG3 LYS A 46 2.945 11.954 -3.947 1.00 10.00 H new ATOM 0 HD2 LYS A 46 1.834 14.046 -3.883 1.00 10.00 H new ATOM 0 HD3 LYS A 46 0.751 13.015 -2.969 1.00 10.00 H new ATOM 0 HE2 LYS A 46 1.992 13.809 -0.843 1.00 10.00 H new ATOM 0 HE3 LYS A 46 2.778 15.007 -1.852 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 0.831 15.908 -0.779 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 0.607 15.879 -2.462 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -0.155 14.719 -1.484 1.00 10.00 H new ATOM 668 N ASP A 47 2.149 9.137 -0.007 1.00 10.00 N ATOM 669 CA ASP A 47 1.564 9.067 1.325 1.00 10.00 C ATOM 670 C ASP A 47 0.792 7.758 1.543 1.00 10.00 C ATOM 671 O ASP A 47 1.164 6.952 2.396 1.00 10.00 O ATOM 672 CB ASP A 47 0.694 10.315 1.511 1.00 10.00 C ATOM 673 CG ASP A 47 -0.079 10.255 2.813 1.00 10.00 C ATOM 674 OD1 ASP A 47 0.585 10.363 3.866 1.00 10.00 O ATOM 675 OD2 ASP A 47 -1.307 10.066 2.717 1.00 10.00 O ATOM 0 H ASP A 47 1.572 8.713 -0.734 1.00 10.00 H new ATOM 0 HA ASP A 47 2.345 9.056 2.085 1.00 10.00 H new ATOM 0 HB2 ASP A 47 1.323 11.205 1.499 1.00 10.00 H new ATOM 0 HB3 ASP A 47 -0.001 10.405 0.676 1.00 10.00 H new ATOM 680 N ALA A 48 -0.253 7.513 0.748 1.00 10.00 N ATOM 681 CA ALA A 48 -0.926 6.219 0.726 1.00 10.00 C ATOM 682 C ALA A 48 0.108 5.098 0.554 1.00 10.00 C ATOM 683 O ALA A 48 0.926 5.148 -0.362 1.00 10.00 O ATOM 684 CB ALA A 48 -1.965 6.198 -0.397 1.00 10.00 C ATOM 0 H ALA A 48 -0.651 8.201 0.109 1.00 10.00 H new ATOM 0 HA ALA A 48 -1.445 6.056 1.671 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -2.466 5.230 -0.411 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -2.700 6.985 -0.227 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -1.470 6.364 -1.354 1.00 10.00 H new ATOM 690 N CYS A 49 0.139 4.144 1.491 1.00 10.00 N ATOM 691 CA CYS A 49 1.190 3.128 1.626 1.00 10.00 C ATOM 692 C CYS A 49 2.514 3.737 2.103 1.00 10.00 C ATOM 693 O CYS A 49 3.034 3.354 3.156 1.00 10.00 O ATOM 694 CB CYS A 49 1.360 2.278 0.377 1.00 10.00 C ATOM 695 SG CYS A 49 -0.244 1.852 -0.391 1.00 10.00 S ATOM 0 H CYS A 49 -0.590 4.054 2.199 1.00 10.00 H new ATOM 0 HA CYS A 49 0.855 2.443 2.405 1.00 10.00 H new ATOM 0 HB2 CYS A 49 1.976 2.815 -0.345 1.00 10.00 H new ATOM 0 HB3 CYS A 49 1.893 1.362 0.632 1.00 10.00 H new ATOM 0 HG CYS A 49 -0.039 1.129 -1.452 1.00 10.00 H new ATOM 700 N LYS A 50 3.070 4.691 1.347 1.00 10.00 N ATOM 701 CA LYS A 50 4.353 5.294 1.669 1.00 10.00 C ATOM 702 C LYS A 50 4.504 5.731 3.137 1.00 10.00 C ATOM 703 O LYS A 50 5.471 5.341 3.777 1.00 10.00 O ATOM 704 CB LYS A 50 4.707 6.422 0.688 1.00 10.00 C ATOM 705 CG LYS A 50 5.672 5.959 -0.418 1.00 10.00 C ATOM 706 CD LYS A 50 7.171 6.026 -0.062 1.00 10.00 C ATOM 707 CE LYS A 50 7.532 5.058 1.067 1.00 10.00 C ATOM 708 NZ LYS A 50 8.928 5.161 1.520 1.00 10.00 N ATOM 0 H LYS A 50 2.639 5.060 0.499 1.00 10.00 H new ATOM 0 HA LYS A 50 5.085 4.496 1.545 1.00 10.00 H new ATOM 0 HB2 LYS A 50 3.793 6.803 0.232 1.00 10.00 H new ATOM 0 HB3 LYS A 50 5.158 7.249 1.237 1.00 10.00 H new ATOM 0 HG2 LYS A 50 5.425 4.931 -0.684 1.00 10.00 H new ATOM 0 HG3 LYS A 50 5.500 6.568 -1.305 1.00 10.00 H new ATOM 0 HD2 LYS A 50 7.765 5.792 -0.945 1.00 10.00 H new ATOM 0 HD3 LYS A 50 7.429 7.043 0.235 1.00 10.00 H new ATOM 0 HE2 LYS A 50 6.871 5.242 1.914 1.00 10.00 H new ATOM 0 HE3 LYS A 50 7.344 4.038 0.731 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 9.003 4.811 2.497 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 9.537 4.590 0.900 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 9.232 6.155 1.484 1.00 10.00 H new ATOM 722 N THR A 51 3.597 6.532 3.692 1.00 10.00 N ATOM 723 CA THR A 51 3.751 7.095 5.041 1.00 10.00 C ATOM 724 C THR A 51 3.933 6.027 6.131 1.00 10.00 C ATOM 725 O THR A 51 4.769 6.189 7.024 1.00 10.00 O ATOM 726 CB THR A 51 2.615 8.087 5.332 1.00 10.00 C ATOM 727 OG1 THR A 51 2.856 9.223 4.534 1.00 10.00 O ATOM 728 CG2 THR A 51 2.586 8.562 6.786 1.00 10.00 C ATOM 0 H THR A 51 2.735 6.811 3.224 1.00 10.00 H new ATOM 0 HA THR A 51 4.687 7.652 5.066 1.00 10.00 H new ATOM 0 HB THR A 51 1.669 7.587 5.125 1.00 10.00 H new ATOM 0 HG1 THR A 51 2.023 9.727 4.423 1.00 10.00 H new ATOM 0 HG21 THR A 51 1.760 9.260 6.924 1.00 10.00 H new ATOM 0 HG22 THR A 51 2.451 7.705 7.446 1.00 10.00 H new ATOM 0 HG23 THR A 51 3.526 9.060 7.025 1.00 10.00 H new ATOM 736 N CYS A 52 3.221 4.898 6.040 1.00 10.00 N ATOM 737 CA CYS A 52 3.547 3.739 6.878 1.00 10.00 C ATOM 738 C CYS A 52 4.958 3.246 6.578 1.00 10.00 C ATOM 739 O CYS A 52 5.789 3.130 7.478 1.00 10.00 O ATOM 740 CB CYS A 52 2.597 2.605 6.645 1.00 10.00 C ATOM 741 SG CYS A 52 0.922 3.046 7.128 1.00 10.00 S ATOM 0 H CYS A 52 2.431 4.763 5.409 1.00 10.00 H new ATOM 0 HA CYS A 52 3.470 4.065 7.915 1.00 10.00 H new ATOM 0 HB2 CYS A 52 2.612 2.326 5.592 1.00 10.00 H new ATOM 0 HB3 CYS A 52 2.923 1.732 7.211 1.00 10.00 H new ATOM 0 HG CYS A 52 0.128 2.040 6.909 1.00 10.00 H new ATOM 746 N HIS A 53 5.230 3.009 5.293 1.00 10.00 N ATOM 747 CA HIS A 53 6.508 2.575 4.737 1.00 10.00 C ATOM 748 C HIS A 53 7.614 3.670 4.790 1.00 10.00 C ATOM 749 O HIS A 53 8.345 3.901 3.816 1.00 10.00 O ATOM 750 CB HIS A 53 6.201 2.117 3.307 1.00 10.00 C ATOM 751 CG HIS A 53 5.539 0.770 3.203 1.00 10.00 C ATOM 752 ND1 HIS A 53 6.193 -0.351 2.795 1.00 10.00 N ATOM 753 CD2 HIS A 53 4.248 0.406 3.495 1.00 10.00 C ATOM 754 CE1 HIS A 53 5.330 -1.374 2.864 1.00 10.00 C ATOM 755 NE2 HIS A 53 4.115 -0.984 3.292 1.00 10.00 N ATOM 0 H HIS A 53 4.519 3.123 4.571 1.00 10.00 H new ATOM 0 HA HIS A 53 6.929 1.766 5.334 1.00 10.00 H new ATOM 0 HB2 HIS A 53 5.559 2.859 2.833 1.00 10.00 H new ATOM 0 HB3 HIS A 53 7.132 2.093 2.741 1.00 10.00 H new ATOM 0 HD2 HIS A 53 3.465 1.072 3.825 1.00 10.00 H new ATOM 0 HE1 HIS A 53 5.580 -2.392 2.606 1.00 10.00 H new ATOM 0 HE2 HIS A 53 3.287 -1.562 3.437 1.00 10.00 H new ATOM 763 N LYS A 54 7.738 4.326 5.943 1.00 10.00 N ATOM 764 CA LYS A 54 8.645 5.390 6.330 1.00 10.00 C ATOM 765 C LYS A 54 8.772 5.354 7.859 1.00 10.00 C ATOM 766 O LYS A 54 9.858 5.174 8.399 1.00 10.00 O ATOM 767 CB LYS A 54 8.063 6.719 5.898 1.00 10.00 C ATOM 768 CG LYS A 54 8.265 6.976 4.410 1.00 10.00 C ATOM 769 CD LYS A 54 8.286 8.491 4.267 1.00 10.00 C ATOM 770 CE LYS A 54 8.057 8.968 2.826 1.00 10.00 C ATOM 771 NZ LYS A 54 7.916 10.440 2.761 1.00 10.00 N ATOM 0 H LYS A 54 7.123 4.088 6.722 1.00 10.00 H new ATOM 0 HA LYS A 54 9.621 5.263 5.862 1.00 10.00 H new ATOM 0 HB2 LYS A 54 6.998 6.740 6.128 1.00 10.00 H new ATOM 0 HB3 LYS A 54 8.528 7.521 6.471 1.00 10.00 H new ATOM 0 HG2 LYS A 54 9.197 6.534 4.057 1.00 10.00 H new ATOM 0 HG3 LYS A 54 7.460 6.536 3.821 1.00 10.00 H new ATOM 0 HD2 LYS A 54 7.518 8.920 4.911 1.00 10.00 H new ATOM 0 HD3 LYS A 54 9.246 8.869 4.619 1.00 10.00 H new ATOM 0 HE2 LYS A 54 8.892 8.653 2.200 1.00 10.00 H new ATOM 0 HE3 LYS A 54 7.160 8.497 2.423 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 7.762 10.731 1.774 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 7.105 10.737 3.340 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 8.782 10.888 3.123 1.00 10.00 H new ATOM 859 N LYS A 61 13.279 0.982 -0.821 1.00 10.00 N ATOM 860 CA LYS A 61 14.348 0.779 -1.799 1.00 10.00 C ATOM 861 C LYS A 61 13.803 0.227 -3.125 1.00 10.00 C ATOM 862 O LYS A 61 14.470 -0.520 -3.839 1.00 10.00 O ATOM 863 CB LYS A 61 15.340 -0.170 -1.127 1.00 10.00 C ATOM 864 CG LYS A 61 16.735 -0.181 -1.771 1.00 10.00 C ATOM 865 CD LYS A 61 17.817 -0.529 -0.732 1.00 10.00 C ATOM 866 CE LYS A 61 18.155 0.619 0.239 1.00 10.00 C ATOM 867 NZ LYS A 61 18.844 1.740 -0.437 1.00 10.00 N ATOM 0 HA LYS A 61 14.834 1.716 -2.072 1.00 10.00 H new ATOM 0 HB2 LYS A 61 15.439 0.109 -0.078 1.00 10.00 H new ATOM 0 HB3 LYS A 61 14.933 -1.181 -1.152 1.00 10.00 H new ATOM 0 HG2 LYS A 61 16.759 -0.907 -2.584 1.00 10.00 H new ATOM 0 HG3 LYS A 61 16.946 0.795 -2.209 1.00 10.00 H new ATOM 0 HD2 LYS A 61 17.486 -1.392 -0.155 1.00 10.00 H new ATOM 0 HD3 LYS A 61 18.726 -0.826 -1.256 1.00 10.00 H new ATOM 0 HE2 LYS A 61 17.237 0.984 0.700 1.00 10.00 H new ATOM 0 HE3 LYS A 61 18.786 0.239 1.042 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 19.142 2.442 0.270 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 19.680 1.381 -0.941 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 18.196 2.187 -1.116 1.00 10.00 H new ATOM 881 N CYS A 62 12.545 0.573 -3.405 1.00 10.00 N ATOM 882 CA CYS A 62 11.711 0.127 -4.525 1.00 10.00 C ATOM 883 C CYS A 62 11.335 -1.354 -4.389 1.00 10.00 C ATOM 884 O CYS A 62 10.152 -1.684 -4.309 1.00 10.00 O ATOM 885 CB CYS A 62 12.326 0.441 -5.872 1.00 10.00 C ATOM 886 SG CYS A 62 13.130 2.076 -5.960 1.00 10.00 S ATOM 0 H CYS A 62 12.041 1.226 -2.805 1.00 10.00 H new ATOM 0 HA CYS A 62 10.786 0.702 -4.478 1.00 10.00 H new ATOM 0 HB2 CYS A 62 13.061 -0.327 -6.112 1.00 10.00 H new ATOM 0 HB3 CYS A 62 11.550 0.388 -6.635 1.00 10.00 H new ATOM 0 HG CYS A 62 13.627 2.252 -7.148 1.00 10.00 H new ATOM 891 N GLY A 63 12.345 -2.228 -4.319 1.00 10.00 N ATOM 892 CA GLY A 63 12.232 -3.676 -4.143 1.00 10.00 C ATOM 893 C GLY A 63 11.191 -4.103 -3.101 1.00 10.00 C ATOM 894 O GLY A 63 10.417 -5.027 -3.325 1.00 10.00 O ATOM 0 H GLY A 63 13.316 -1.925 -4.388 1.00 10.00 H new ATOM 0 HA2 GLY A 63 11.977 -4.128 -5.101 1.00 10.00 H new ATOM 0 HA3 GLY A 63 13.205 -4.072 -3.852 1.00 10.00 H new ATOM 898 N GLY A 64 11.154 -3.401 -1.960 1.00 10.00 N ATOM 899 CA GLY A 64 10.194 -3.640 -0.883 1.00 10.00 C ATOM 900 C GLY A 64 8.721 -3.623 -1.321 1.00 10.00 C ATOM 901 O GLY A 64 7.882 -4.224 -0.653 1.00 10.00 O ATOM 0 H GLY A 64 11.803 -2.640 -1.760 1.00 10.00 H new ATOM 0 HA2 GLY A 64 10.412 -4.606 -0.428 1.00 10.00 H new ATOM 0 HA3 GLY A 64 10.338 -2.884 -0.111 1.00 10.00 H new ATOM 905 N CYS A 65 8.403 -2.937 -2.426 1.00 10.00 N ATOM 906 CA CYS A 65 7.071 -2.944 -3.035 1.00 10.00 C ATOM 907 C CYS A 65 7.085 -3.646 -4.399 1.00 10.00 C ATOM 908 O CYS A 65 6.233 -4.480 -4.679 1.00 10.00 O ATOM 909 CB CYS A 65 6.556 -1.534 -3.171 1.00 10.00 C ATOM 910 SG CYS A 65 6.369 -0.728 -1.548 1.00 10.00 S ATOM 0 H CYS A 65 9.074 -2.355 -2.927 1.00 10.00 H new ATOM 0 HA CYS A 65 6.402 -3.504 -2.381 1.00 10.00 H new ATOM 0 HB2 CYS A 65 7.241 -0.954 -3.789 1.00 10.00 H new ATOM 0 HB3 CYS A 65 5.595 -1.545 -3.685 1.00 10.00 H new ATOM 0 HG CYS A 65 5.926 0.483 -1.713 1.00 10.00 H new ATOM 915 N HIS A 66 8.041 -3.286 -5.257 1.00 10.00 N ATOM 916 CA HIS A 66 8.146 -3.752 -6.630 1.00 10.00 C ATOM 917 C HIS A 66 9.048 -4.992 -6.741 1.00 10.00 C ATOM 918 O HIS A 66 10.263 -4.853 -6.627 1.00 10.00 O ATOM 919 CB HIS A 66 8.713 -2.586 -7.448 1.00 10.00 C ATOM 920 CG HIS A 66 7.777 -1.427 -7.518 1.00 10.00 C ATOM 921 ND1 HIS A 66 6.688 -1.380 -8.332 1.00 10.00 N ATOM 922 CD2 HIS A 66 7.907 -0.208 -6.922 1.00 10.00 C ATOM 923 CE1 HIS A 66 6.163 -0.147 -8.251 1.00 10.00 C ATOM 924 NE2 HIS A 66 6.875 0.616 -7.403 1.00 10.00 N ATOM 0 H HIS A 66 8.787 -2.639 -5.001 1.00 10.00 H new ATOM 0 HA HIS A 66 7.168 -4.056 -7.004 1.00 10.00 H new ATOM 0 HB2 HIS A 66 9.655 -2.261 -7.006 1.00 10.00 H new ATOM 0 HB3 HIS A 66 8.936 -2.930 -8.458 1.00 10.00 H new ATOM 0 HD1 HIS A 66 6.333 -2.147 -8.903 1.00 10.00 H new ATOM 0 HD2 HIS A 66 8.667 0.074 -6.208 1.00 10.00 H new ATOM 0 HE1 HIS A 66 5.290 0.186 -8.792 1.00 10.00 H new ATOM 932 N ILE A 67 8.485 -6.174 -7.021 1.00 10.00 N ATOM 933 CA ILE A 67 9.259 -7.408 -7.207 1.00 10.00 C ATOM 934 C ILE A 67 10.423 -7.198 -8.191 1.00 10.00 C ATOM 935 O ILE A 67 10.202 -6.822 -9.342 1.00 10.00 O ATOM 936 CB ILE A 67 8.353 -8.562 -7.683 1.00 10.00 C ATOM 937 CG1 ILE A 67 7.149 -8.829 -6.760 1.00 10.00 C ATOM 938 CG2 ILE A 67 9.168 -9.853 -7.862 1.00 10.00 C ATOM 939 CD1 ILE A 67 7.512 -9.121 -5.301 1.00 10.00 C ATOM 0 H ILE A 67 7.478 -6.302 -7.125 1.00 10.00 H new ATOM 0 HA ILE A 67 9.681 -7.677 -6.239 1.00 10.00 H new ATOM 0 HB ILE A 67 7.946 -8.241 -8.642 1.00 10.00 H new ATOM 0 HG12 ILE A 67 6.488 -7.963 -6.789 1.00 10.00 H new ATOM 0 HG13 ILE A 67 6.586 -9.674 -7.156 1.00 10.00 H new ATOM 0 HG21 ILE A 67 8.510 -10.655 -8.198 1.00 10.00 H new ATOM 0 HG22 ILE A 67 9.950 -9.690 -8.604 1.00 10.00 H new ATOM 0 HG23 ILE A 67 9.622 -10.131 -6.911 1.00 10.00 H new ATOM 0 HD11 ILE A 67 6.602 -9.296 -4.728 1.00 10.00 H new ATOM 0 HD12 ILE A 67 8.146 -10.006 -5.254 1.00 10.00 H new ATOM 0 HD13 ILE A 67 8.047 -8.269 -4.882 1.00 10.00 H new ATOM 951 N LYS A 68 11.658 -7.417 -7.734 1.00 10.00 N ATOM 952 CA LYS A 68 12.883 -7.096 -8.433 1.00 10.00 C ATOM 953 C LYS A 68 14.021 -7.894 -7.781 1.00 10.00 C ATOM 954 O LYS A 68 13.882 -8.175 -6.567 1.00 10.00 O ATOM 955 CB LYS A 68 13.092 -5.585 -8.289 1.00 10.00 C ATOM 956 CG LYS A 68 14.367 -5.125 -8.991 1.00 10.00 C ATOM 957 CD LYS A 68 14.668 -3.642 -8.737 1.00 10.00 C ATOM 958 CE LYS A 68 13.475 -2.743 -9.095 1.00 10.00 C ATOM 959 NZ LYS A 68 13.840 -1.314 -9.035 1.00 10.00 N ATOM 960 OXT LYS A 68 15.003 -8.190 -8.496 1.00 10.00 O ATOM 0 H LYS A 68 11.828 -7.843 -6.823 1.00 10.00 H new ATOM 0 HA LYS A 68 12.850 -7.354 -9.491 1.00 10.00 H new ATOM 0 HB2 LYS A 68 12.235 -5.057 -8.707 1.00 10.00 H new ATOM 0 HB3 LYS A 68 13.143 -5.323 -7.232 1.00 10.00 H new ATOM 0 HG2 LYS A 68 15.207 -5.728 -8.646 1.00 10.00 H new ATOM 0 HG3 LYS A 68 14.271 -5.296 -10.063 1.00 10.00 H new ATOM 0 HD2 LYS A 68 14.928 -3.499 -7.688 1.00 10.00 H new ATOM 0 HD3 LYS A 68 15.536 -3.343 -9.324 1.00 10.00 H new ATOM 0 HE2 LYS A 68 13.121 -2.988 -10.096 1.00 10.00 H new ATOM 0 HE3 LYS A 68 12.651 -2.939 -8.409 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 13.013 -0.734 -9.282 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 14.155 -1.076 -8.073 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 14.610 -1.124 -9.708 1.00 10.00 H new