USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=16 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= -0.0146 X(o=0.96,f=0.91) USER MOD Set 1.2: A 66 HIS : no HE2:sc= 0.974 K(o=0.96,f=-5.7!) USER MOD Set 2.1: A 17 HIS : no HE2:sc= -0.311 X(o=-0.47,f=-0.26) USER MOD Set 2.2: A 30 HIS : no HD1:sc= -0.16 X(o=-0.47,f=-0.82) USER MOD Set 3.1: A 20 HIS : no HE2:sc= -0.0377 X(o=-0.047,f=-0.16) USER MOD Set 3.2: A 53 HIS : no HD1:sc=-0.00916 X(o=-0.047,f=-0.038) USER MOD Set 4.1: A 5 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 14 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= -0.0755 K(o=-0.075,f=-3.7!) USER MOD Single : A 12 ASN : amide:sc= 0.408 K(o=0.41,f=-3.3!) USER MOD Single : A 18 LYS NZ :NH3+ -96:sc= 0.966 (180deg=-1.52!) 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 -158:sc= 1.13 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 180:sc= -0.119 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 71:sc= 0.662 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 180:sc= 0.134 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 -8.604 -9.537 -0.388 1.00 10.00 N ATOM 14 CA ASP A 2 -7.766 -10.715 -0.564 1.00 10.00 C ATOM 15 C ASP A 2 -6.272 -10.326 -0.724 1.00 10.00 C ATOM 16 O ASP A 2 -5.746 -9.567 0.088 1.00 10.00 O ATOM 17 CB ASP A 2 -8.357 -11.462 -1.773 1.00 10.00 C ATOM 18 CG ASP A 2 -8.392 -10.559 -2.994 1.00 10.00 C ATOM 19 OD1 ASP A 2 -9.328 -9.725 -3.066 1.00 10.00 O ATOM 20 OD2 ASP A 2 -7.417 -10.663 -3.762 1.00 10.00 O ATOM 0 HA ASP A 2 -7.770 -11.368 0.309 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -7.760 -12.349 -1.987 1.00 10.00 H new ATOM 0 HB3 ASP A 2 -9.365 -11.805 -1.538 1.00 10.00 H new ATOM 25 N VAL A 3 -5.583 -10.803 -1.761 1.00 10.00 N ATOM 26 CA VAL A 3 -4.198 -10.439 -2.069 1.00 10.00 C ATOM 27 C VAL A 3 -4.153 -10.000 -3.534 1.00 10.00 C ATOM 28 O VAL A 3 -3.885 -10.794 -4.433 1.00 10.00 O ATOM 29 CB VAL A 3 -3.223 -11.587 -1.744 1.00 10.00 C ATOM 30 CG1 VAL A 3 -1.774 -11.157 -2.021 1.00 10.00 C ATOM 31 CG2 VAL A 3 -3.319 -11.990 -0.265 1.00 10.00 C ATOM 0 H VAL A 3 -5.980 -11.468 -2.425 1.00 10.00 H new ATOM 0 HA VAL A 3 -3.866 -9.612 -1.441 1.00 10.00 H new ATOM 0 HB VAL A 3 -3.497 -12.431 -2.377 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -1.099 -11.980 -1.786 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -1.668 -10.890 -3.073 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.525 -10.295 -1.401 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -2.620 -12.802 -0.063 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -3.071 -11.134 0.362 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -4.334 -12.321 -0.043 1.00 10.00 H new ATOM 41 N VAL A 4 -4.450 -8.722 -3.764 1.00 10.00 N ATOM 42 CA VAL A 4 -4.528 -8.142 -5.097 1.00 10.00 C ATOM 43 C VAL A 4 -3.105 -7.824 -5.581 1.00 10.00 C ATOM 44 O VAL A 4 -2.202 -7.647 -4.770 1.00 10.00 O ATOM 45 CB VAL A 4 -5.454 -6.911 -5.030 1.00 10.00 C ATOM 46 CG1 VAL A 4 -5.490 -6.117 -6.343 1.00 10.00 C ATOM 47 CG2 VAL A 4 -6.882 -7.342 -4.668 1.00 10.00 C ATOM 0 H VAL A 4 -4.645 -8.055 -3.018 1.00 10.00 H new ATOM 0 HA VAL A 4 -4.957 -8.829 -5.826 1.00 10.00 H new ATOM 0 HB VAL A 4 -5.044 -6.258 -4.260 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -6.158 -5.263 -6.234 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -4.487 -5.764 -6.582 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -5.850 -6.759 -7.147 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -7.527 -6.464 -4.624 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -7.257 -8.030 -5.425 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -6.877 -7.838 -3.697 1.00 10.00 H new ATOM 57 N THR A 5 -2.884 -7.740 -6.894 1.00 10.00 N ATOM 58 CA THR A 5 -1.567 -7.440 -7.459 1.00 10.00 C ATOM 59 C THR A 5 -1.674 -6.398 -8.566 1.00 10.00 C ATOM 60 O THR A 5 -2.281 -6.652 -9.602 1.00 10.00 O ATOM 61 CB THR A 5 -0.899 -8.730 -7.961 1.00 10.00 C ATOM 62 OG1 THR A 5 -0.459 -9.486 -6.857 1.00 10.00 O ATOM 63 CG2 THR A 5 0.353 -8.449 -8.790 1.00 10.00 C ATOM 0 H THR A 5 -3.612 -7.878 -7.595 1.00 10.00 H new ATOM 0 HA THR A 5 -0.939 -7.017 -6.676 1.00 10.00 H new ATOM 0 HB THR A 5 -1.642 -9.249 -8.566 1.00 10.00 H new ATOM 0 HG1 THR A 5 -0.034 -10.310 -7.174 1.00 10.00 H new ATOM 0 HG21 THR A 5 0.789 -9.391 -9.122 1.00 10.00 H new ATOM 0 HG22 THR A 5 0.087 -7.847 -9.659 1.00 10.00 H new ATOM 0 HG23 THR A 5 1.078 -7.908 -8.182 1.00 10.00 H new ATOM 71 N TYR A 6 -1.038 -5.239 -8.365 1.00 10.00 N ATOM 72 CA TYR A 6 -0.812 -4.289 -9.444 1.00 10.00 C ATOM 73 C TYR A 6 0.429 -4.711 -10.230 1.00 10.00 C ATOM 74 O TYR A 6 1.536 -4.630 -9.695 1.00 10.00 O ATOM 75 CB TYR A 6 -0.655 -2.868 -8.897 1.00 10.00 C ATOM 76 CG TYR A 6 -1.955 -2.104 -8.774 1.00 10.00 C ATOM 77 CD1 TYR A 6 -3.056 -2.687 -8.121 1.00 10.00 C ATOM 78 CD2 TYR A 6 -2.026 -0.768 -9.205 1.00 10.00 C ATOM 79 CE1 TYR A 6 -4.216 -1.933 -7.886 1.00 10.00 C ATOM 80 CE2 TYR A 6 -3.177 -0.011 -8.941 1.00 10.00 C ATOM 81 CZ TYR A 6 -4.277 -0.591 -8.293 1.00 10.00 C ATOM 82 OH TYR A 6 -5.326 0.195 -7.934 1.00 10.00 O ATOM 0 H TYR A 6 -0.672 -4.942 -7.460 1.00 10.00 H new ATOM 0 HA TYR A 6 -1.676 -4.288 -10.109 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -0.182 -2.918 -7.916 1.00 10.00 H new ATOM 0 HB3 TYR A 6 0.020 -2.312 -9.548 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -3.009 -3.717 -7.800 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -1.197 -0.326 -9.738 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -5.063 -2.386 -7.391 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -3.216 1.026 -9.239 1.00 10.00 H new ATOM 0 HH TYR A 6 -5.202 1.095 -8.303 1.00 10.00 H new ATOM 92 N GLU A 7 0.211 -5.192 -11.457 1.00 10.00 N ATOM 93 CA GLU A 7 1.191 -5.629 -12.446 1.00 10.00 C ATOM 94 C GLU A 7 1.817 -4.432 -13.192 1.00 10.00 C ATOM 95 O GLU A 7 1.131 -3.781 -13.978 1.00 10.00 O ATOM 96 CB GLU A 7 0.471 -6.564 -13.437 1.00 10.00 C ATOM 97 CG GLU A 7 -0.451 -7.611 -12.795 1.00 10.00 C ATOM 98 CD GLU A 7 -1.020 -8.574 -13.829 1.00 10.00 C ATOM 99 OE1 GLU A 7 -0.333 -9.586 -14.084 1.00 10.00 O ATOM 100 OE2 GLU A 7 -2.119 -8.274 -14.339 1.00 10.00 O ATOM 0 H GLU A 7 -0.740 -5.293 -11.811 1.00 10.00 H new ATOM 0 HA GLU A 7 2.007 -6.151 -11.946 1.00 10.00 H new ATOM 0 HB2 GLU A 7 -0.119 -5.956 -14.123 1.00 10.00 H new ATOM 0 HB3 GLU A 7 1.222 -7.082 -14.034 1.00 10.00 H new ATOM 0 HG2 GLU A 7 0.104 -8.172 -12.043 1.00 10.00 H new ATOM 0 HG3 GLU A 7 -1.268 -7.108 -12.279 1.00 10.00 H new ATOM 107 N ASN A 8 3.106 -4.136 -12.964 1.00 10.00 N ATOM 108 CA ASN A 8 3.767 -2.932 -13.481 1.00 10.00 C ATOM 109 C ASN A 8 5.158 -3.281 -14.018 1.00 10.00 C ATOM 110 O ASN A 8 5.782 -4.242 -13.563 1.00 10.00 O ATOM 111 CB ASN A 8 3.850 -1.844 -12.391 1.00 10.00 C ATOM 112 CG ASN A 8 2.894 -2.107 -11.239 1.00 10.00 C ATOM 113 OD1 ASN A 8 1.688 -1.954 -11.357 1.00 10.00 O ATOM 114 ND2 ASN A 8 3.396 -2.639 -10.136 1.00 10.00 N ATOM 0 H ASN A 8 3.722 -4.732 -12.411 1.00 10.00 H new ATOM 0 HA ASN A 8 3.173 -2.534 -14.303 1.00 10.00 H new ATOM 0 HB2 ASN A 8 4.870 -1.792 -12.009 1.00 10.00 H new ATOM 0 HB3 ASN A 8 3.625 -0.873 -12.832 1.00 10.00 H new ATOM 0 HD21 ASN A 8 2.775 -2.924 -9.379 1.00 10.00 H new ATOM 0 HD22 ASN A 8 4.404 -2.764 -10.043 1.00 10.00 H new ATOM 121 N ALA A 9 5.675 -2.488 -14.958 1.00 10.00 N ATOM 122 CA ALA A 9 6.962 -2.712 -15.611 1.00 10.00 C ATOM 123 C ALA A 9 8.136 -2.691 -14.621 1.00 10.00 C ATOM 124 O ALA A 9 9.170 -3.307 -14.869 1.00 10.00 O ATOM 125 CB ALA A 9 7.148 -1.665 -16.712 1.00 10.00 C ATOM 0 H ALA A 9 5.197 -1.652 -15.293 1.00 10.00 H new ATOM 0 HA ALA A 9 6.957 -3.711 -16.048 1.00 10.00 H new ATOM 0 HB1 ALA A 9 8.106 -1.823 -17.206 1.00 10.00 H new ATOM 0 HB2 ALA A 9 6.344 -1.758 -17.442 1.00 10.00 H new ATOM 0 HB3 ALA A 9 7.126 -0.668 -16.273 1.00 10.00 H new ATOM 131 N ALA A 10 7.970 -2.008 -13.483 1.00 10.00 N ATOM 132 CA ALA A 10 8.966 -1.979 -12.413 1.00 10.00 C ATOM 133 C ALA A 10 8.941 -3.235 -11.523 1.00 10.00 C ATOM 134 O ALA A 10 9.784 -3.358 -10.637 1.00 10.00 O ATOM 135 CB ALA A 10 8.764 -0.713 -11.576 1.00 10.00 C ATOM 0 H ALA A 10 7.135 -1.458 -13.280 1.00 10.00 H new ATOM 0 HA ALA A 10 9.951 -1.969 -12.880 1.00 10.00 H new ATOM 0 HB1 ALA A 10 9.503 -0.684 -10.776 1.00 10.00 H new ATOM 0 HB2 ALA A 10 8.882 0.165 -12.211 1.00 10.00 H new ATOM 0 HB3 ALA A 10 7.763 -0.718 -11.145 1.00 10.00 H new ATOM 141 N GLY A 11 7.970 -4.136 -11.716 1.00 10.00 N ATOM 142 CA GLY A 11 7.688 -5.253 -10.820 1.00 10.00 C ATOM 143 C GLY A 11 6.269 -5.102 -10.286 1.00 10.00 C ATOM 144 O GLY A 11 5.814 -3.982 -10.043 1.00 10.00 O ATOM 0 H GLY A 11 7.345 -4.103 -12.522 1.00 10.00 H new ATOM 0 HA2 GLY A 11 7.794 -6.199 -11.350 1.00 10.00 H new ATOM 0 HA3 GLY A 11 8.402 -5.267 -9.997 1.00 10.00 H new ATOM 148 N ASN A 12 5.543 -6.205 -10.093 1.00 10.00 N ATOM 149 CA ASN A 12 4.239 -6.114 -9.450 1.00 10.00 C ATOM 150 C ASN A 12 4.404 -5.792 -7.963 1.00 10.00 C ATOM 151 O ASN A 12 5.415 -6.154 -7.371 1.00 10.00 O ATOM 152 CB ASN A 12 3.346 -7.346 -9.652 1.00 10.00 C ATOM 153 CG ASN A 12 3.828 -8.345 -10.703 1.00 10.00 C ATOM 154 OD1 ASN A 12 4.981 -8.764 -10.702 1.00 10.00 O ATOM 155 ND2 ASN A 12 2.955 -8.768 -11.601 1.00 10.00 N ATOM 0 H ASN A 12 5.829 -7.146 -10.365 1.00 10.00 H new ATOM 0 HA ASN A 12 3.714 -5.298 -9.947 1.00 10.00 H new ATOM 0 HB2 ASN A 12 3.253 -7.866 -8.698 1.00 10.00 H new ATOM 0 HB3 ASN A 12 2.348 -7.007 -9.929 1.00 10.00 H new ATOM 0 HD21 ASN A 12 3.237 -9.451 -12.304 1.00 10.00 H new ATOM 0 HD22 ASN A 12 1.999 -8.412 -11.591 1.00 10.00 H new ATOM 162 N VAL A 13 3.439 -5.097 -7.363 1.00 10.00 N ATOM 163 CA VAL A 13 3.607 -4.532 -6.014 1.00 10.00 C ATOM 164 C VAL A 13 2.946 -5.340 -4.882 1.00 10.00 C ATOM 165 O VAL A 13 3.418 -5.294 -3.750 1.00 10.00 O ATOM 166 CB VAL A 13 3.261 -3.036 -6.010 1.00 10.00 C ATOM 167 CG1 VAL A 13 1.931 -2.781 -6.704 1.00 10.00 C ATOM 168 CG2 VAL A 13 3.194 -2.454 -4.595 1.00 10.00 C ATOM 0 H VAL A 13 2.530 -4.908 -7.785 1.00 10.00 H new ATOM 0 HA VAL A 13 4.665 -4.623 -5.768 1.00 10.00 H new ATOM 0 HB VAL A 13 4.066 -2.540 -6.551 1.00 10.00 H new ATOM 0 HG11 VAL A 13 1.710 -1.714 -6.687 1.00 10.00 H new ATOM 0 HG12 VAL A 13 1.988 -3.123 -7.737 1.00 10.00 H new ATOM 0 HG13 VAL A 13 1.140 -3.323 -6.186 1.00 10.00 H new ATOM 0 HG21 VAL A 13 2.946 -1.394 -4.649 1.00 10.00 H new ATOM 0 HG22 VAL A 13 2.428 -2.977 -4.022 1.00 10.00 H new ATOM 0 HG23 VAL A 13 4.160 -2.576 -4.105 1.00 10.00 H new ATOM 178 N THR A 14 1.862 -6.070 -5.163 1.00 10.00 N ATOM 179 CA THR A 14 1.097 -6.822 -4.160 1.00 10.00 C ATOM 180 C THR A 14 0.381 -5.905 -3.155 1.00 10.00 C ATOM 181 O THR A 14 0.955 -5.372 -2.211 1.00 10.00 O ATOM 182 CB THR A 14 1.910 -7.974 -3.531 1.00 10.00 C ATOM 183 OG1 THR A 14 1.736 -9.113 -4.348 1.00 10.00 O ATOM 184 CG2 THR A 14 1.454 -8.386 -2.129 1.00 10.00 C ATOM 0 H THR A 14 1.485 -6.157 -6.107 1.00 10.00 H new ATOM 0 HA THR A 14 0.287 -7.327 -4.687 1.00 10.00 H new ATOM 0 HB THR A 14 2.937 -7.617 -3.455 1.00 10.00 H new ATOM 0 HG1 THR A 14 2.243 -9.864 -3.975 1.00 10.00 H new ATOM 0 HG21 THR A 14 2.081 -9.201 -1.767 1.00 10.00 H new ATOM 0 HG22 THR A 14 1.539 -7.535 -1.454 1.00 10.00 H new ATOM 0 HG23 THR A 14 0.416 -8.717 -2.166 1.00 10.00 H new ATOM 192 N PHE A 15 -0.915 -5.717 -3.399 1.00 10.00 N ATOM 193 CA PHE A 15 -1.877 -5.065 -2.521 1.00 10.00 C ATOM 194 C PHE A 15 -2.483 -6.101 -1.571 1.00 10.00 C ATOM 195 O PHE A 15 -3.446 -6.793 -1.915 1.00 10.00 O ATOM 196 CB PHE A 15 -2.986 -4.433 -3.369 1.00 10.00 C ATOM 197 CG PHE A 15 -2.705 -3.075 -3.972 1.00 10.00 C ATOM 198 CD1 PHE A 15 -1.427 -2.742 -4.459 1.00 10.00 C ATOM 199 CD2 PHE A 15 -3.792 -2.215 -4.216 1.00 10.00 C ATOM 200 CE1 PHE A 15 -1.251 -1.584 -5.231 1.00 10.00 C ATOM 201 CE2 PHE A 15 -3.613 -1.059 -4.988 1.00 10.00 C ATOM 202 CZ PHE A 15 -2.354 -0.778 -5.540 1.00 10.00 C ATOM 0 H PHE A 15 -1.344 -6.036 -4.268 1.00 10.00 H new ATOM 0 HA PHE A 15 -1.378 -4.291 -1.939 1.00 10.00 H new ATOM 0 HB2 PHE A 15 -3.224 -5.120 -4.181 1.00 10.00 H new ATOM 0 HB3 PHE A 15 -3.879 -4.350 -2.750 1.00 10.00 H new ATOM 0 HD1 PHE A 15 -0.582 -3.378 -4.238 1.00 10.00 H new ATOM 0 HD2 PHE A 15 -4.765 -2.446 -3.808 1.00 10.00 H new ATOM 0 HE1 PHE A 15 -0.267 -1.315 -5.586 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -4.441 -0.387 -5.157 1.00 10.00 H new ATOM 0 HZ PHE A 15 -2.235 0.064 -6.206 1.00 10.00 H new ATOM 212 N ASP A 16 -1.957 -6.164 -0.352 1.00 10.00 N ATOM 213 CA ASP A 16 -2.501 -6.997 0.692 1.00 10.00 C ATOM 214 C ASP A 16 -3.795 -6.352 1.184 1.00 10.00 C ATOM 215 O ASP A 16 -3.767 -5.352 1.898 1.00 10.00 O ATOM 216 CB ASP A 16 -1.439 -7.103 1.787 1.00 10.00 C ATOM 217 CG ASP A 16 -0.123 -7.626 1.246 1.00 10.00 C ATOM 218 OD1 ASP A 16 -0.019 -8.865 1.129 1.00 10.00 O ATOM 219 OD2 ASP A 16 0.733 -6.767 0.946 1.00 10.00 O ATOM 0 H ASP A 16 -1.135 -5.631 -0.068 1.00 10.00 H new ATOM 0 HA ASP A 16 -2.744 -8.004 0.352 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -1.283 -6.123 2.238 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -1.796 -7.764 2.577 1.00 10.00 H new ATOM 224 N HIS A 17 -4.943 -6.916 0.807 1.00 10.00 N ATOM 225 CA HIS A 17 -6.187 -6.562 1.467 1.00 10.00 C ATOM 226 C HIS A 17 -6.251 -7.356 2.775 1.00 10.00 C ATOM 227 O HIS A 17 -6.247 -6.781 3.859 1.00 10.00 O ATOM 228 CB HIS A 17 -7.383 -6.825 0.534 1.00 10.00 C ATOM 229 CG HIS A 17 -8.180 -5.591 0.206 1.00 10.00 C ATOM 230 ND1 HIS A 17 -8.572 -5.151 -1.036 1.00 10.00 N ATOM 231 CD2 HIS A 17 -8.559 -4.645 1.112 1.00 10.00 C ATOM 232 CE1 HIS A 17 -9.153 -3.948 -0.865 1.00 10.00 C ATOM 233 NE2 HIS A 17 -9.134 -3.573 0.429 1.00 10.00 N ATOM 0 H HIS A 17 -5.032 -7.607 0.062 1.00 10.00 H new ATOM 0 HA HIS A 17 -6.230 -5.499 1.702 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -7.018 -7.268 -0.393 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -8.041 -7.558 1.000 1.00 10.00 H new ATOM 0 HD1 HIS A 17 -8.446 -5.643 -1.921 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -8.434 -4.714 2.183 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -9.580 -3.359 -1.663 1.00 10.00 H new ATOM 241 N LYS A 18 -6.243 -8.687 2.662 1.00 10.00 N ATOM 242 CA LYS A 18 -6.327 -9.623 3.770 1.00 10.00 C ATOM 243 C LYS A 18 -5.155 -9.452 4.745 1.00 10.00 C ATOM 244 O LYS A 18 -5.362 -9.067 5.888 1.00 10.00 O ATOM 245 CB LYS A 18 -6.412 -11.065 3.244 1.00 10.00 C ATOM 246 CG LYS A 18 -6.635 -12.040 4.413 1.00 10.00 C ATOM 247 CD LYS A 18 -6.365 -13.500 4.018 1.00 10.00 C ATOM 248 CE LYS A 18 -6.062 -14.338 5.270 1.00 10.00 C ATOM 249 NZ LYS A 18 -7.178 -14.316 6.239 1.00 10.00 N ATOM 0 H LYS A 18 -6.175 -9.153 1.757 1.00 10.00 H new ATOM 0 HA LYS A 18 -7.238 -9.406 4.328 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -7.228 -11.152 2.527 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -5.494 -11.322 2.715 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -5.983 -11.764 5.242 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -7.661 -11.947 4.770 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -7.230 -13.910 3.497 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -5.524 -13.548 3.326 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -5.859 -15.368 4.976 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -5.159 -13.959 5.749 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -6.998 -13.588 6.960 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -8.065 -14.099 5.742 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -7.257 -15.246 6.698 1.00 10.00 H new ATOM 263 N ALA A 19 -3.932 -9.791 4.323 1.00 10.00 N ATOM 264 CA ALA A 19 -2.789 -9.906 5.232 1.00 10.00 C ATOM 265 C ALA A 19 -2.532 -8.612 6.010 1.00 10.00 C ATOM 266 O ALA A 19 -2.286 -8.643 7.214 1.00 10.00 O ATOM 267 CB ALA A 19 -1.549 -10.344 4.450 1.00 10.00 C ATOM 0 H ALA A 19 -3.709 -9.992 3.348 1.00 10.00 H new ATOM 0 HA ALA A 19 -3.025 -10.666 5.976 1.00 10.00 H new ATOM 0 HB1 ALA A 19 -0.701 -10.428 5.130 1.00 10.00 H new ATOM 0 HB2 ALA A 19 -1.736 -11.310 3.982 1.00 10.00 H new ATOM 0 HB3 ALA A 19 -1.325 -9.606 3.680 1.00 10.00 H new ATOM 273 N HIS A 20 -2.645 -7.463 5.340 1.00 10.00 N ATOM 274 CA HIS A 20 -2.682 -6.189 6.039 1.00 10.00 C ATOM 275 C HIS A 20 -3.921 -6.066 6.936 1.00 10.00 C ATOM 276 O HIS A 20 -3.754 -5.834 8.126 1.00 10.00 O ATOM 277 CB HIS A 20 -2.533 -5.018 5.066 1.00 10.00 C ATOM 278 CG HIS A 20 -1.100 -4.721 4.703 1.00 10.00 C ATOM 279 ND1 HIS A 20 -0.063 -5.615 4.815 1.00 10.00 N ATOM 280 CD2 HIS A 20 -0.561 -3.497 4.383 1.00 10.00 C ATOM 281 CE1 HIS A 20 1.066 -4.940 4.577 1.00 10.00 C ATOM 282 NE2 HIS A 20 0.828 -3.645 4.300 1.00 10.00 N ATOM 0 H HIS A 20 -2.711 -7.394 4.324 1.00 10.00 H new ATOM 0 HA HIS A 20 -1.822 -6.150 6.708 1.00 10.00 H new ATOM 0 HB2 HIS A 20 -3.093 -5.237 4.157 1.00 10.00 H new ATOM 0 HB3 HIS A 20 -2.980 -4.128 5.509 1.00 10.00 H new ATOM 0 HD1 HIS A 20 -0.140 -6.607 5.038 1.00 10.00 H new ATOM 0 HD2 HIS A 20 -1.113 -2.582 4.224 1.00 10.00 H new ATOM 0 HE1 HIS A 20 2.051 -5.381 4.604 1.00 10.00 H new ATOM 290 N ALA A 21 -5.150 -6.234 6.430 1.00 10.00 N ATOM 291 CA ALA A 21 -6.360 -6.129 7.253 1.00 10.00 C ATOM 292 C ALA A 21 -6.278 -6.908 8.572 1.00 10.00 C ATOM 293 O ALA A 21 -6.606 -6.360 9.622 1.00 10.00 O ATOM 294 CB ALA A 21 -7.582 -6.590 6.463 1.00 10.00 C ATOM 0 H ALA A 21 -5.332 -6.444 5.449 1.00 10.00 H new ATOM 0 HA ALA A 21 -6.453 -5.075 7.515 1.00 10.00 H new ATOM 0 HB1 ALA A 21 -8.472 -6.506 7.087 1.00 10.00 H new ATOM 0 HB2 ALA A 21 -7.700 -5.965 5.578 1.00 10.00 H new ATOM 0 HB3 ALA A 21 -7.448 -7.628 6.159 1.00 10.00 H new ATOM 300 N GLU A 22 -5.808 -8.156 8.518 1.00 10.00 N ATOM 301 CA GLU A 22 -5.582 -9.027 9.670 1.00 10.00 C ATOM 302 C GLU A 22 -4.810 -8.324 10.810 1.00 10.00 C ATOM 303 O GLU A 22 -5.056 -8.581 11.987 1.00 10.00 O ATOM 304 CB GLU A 22 -4.839 -10.283 9.178 1.00 10.00 C ATOM 305 CG GLU A 22 -5.676 -11.174 8.236 1.00 10.00 C ATOM 306 CD GLU A 22 -6.542 -12.208 8.943 1.00 10.00 C ATOM 307 OE1 GLU A 22 -7.248 -11.830 9.897 1.00 10.00 O ATOM 308 OE2 GLU A 22 -6.528 -13.364 8.460 1.00 10.00 O ATOM 0 H GLU A 22 -5.565 -8.604 7.634 1.00 10.00 H new ATOM 0 HA GLU A 22 -6.545 -9.301 10.101 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.930 -9.976 8.660 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -4.531 -10.873 10.041 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -6.318 -10.536 7.629 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -5.002 -11.690 7.552 1.00 10.00 H new ATOM 315 N LYS A 23 -3.869 -7.437 10.464 1.00 10.00 N ATOM 316 CA LYS A 23 -2.995 -6.706 11.365 1.00 10.00 C ATOM 317 C LYS A 23 -3.471 -5.263 11.603 1.00 10.00 C ATOM 318 O LYS A 23 -3.291 -4.715 12.688 1.00 10.00 O ATOM 319 CB LYS A 23 -1.634 -6.732 10.670 1.00 10.00 C ATOM 320 CG LYS A 23 -0.540 -5.926 11.356 1.00 10.00 C ATOM 321 CD LYS A 23 0.773 -6.213 10.612 1.00 10.00 C ATOM 322 CE LYS A 23 1.879 -5.186 10.872 1.00 10.00 C ATOM 323 NZ LYS A 23 2.641 -5.437 12.111 1.00 10.00 N ATOM 0 H LYS A 23 -3.694 -7.203 9.487 1.00 10.00 H new ATOM 0 HA LYS A 23 -2.973 -7.157 12.357 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -1.304 -7.768 10.591 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -1.756 -6.358 9.654 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -0.772 -4.861 11.329 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -0.456 -6.207 12.406 1.00 10.00 H new ATOM 0 HD2 LYS A 23 1.134 -7.200 10.902 1.00 10.00 H new ATOM 0 HD3 LYS A 23 0.571 -6.249 9.542 1.00 10.00 H new ATOM 0 HE2 LYS A 23 2.567 -5.184 10.027 1.00 10.00 H new ATOM 0 HE3 LYS A 23 1.435 -4.192 10.924 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 3.371 -4.705 12.224 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 1.996 -5.411 12.926 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 3.093 -6.372 12.057 1.00 10.00 H new ATOM 337 N LEU A 24 -4.006 -4.628 10.558 1.00 10.00 N ATOM 338 CA LEU A 24 -4.271 -3.200 10.471 1.00 10.00 C ATOM 339 C LEU A 24 -5.734 -2.828 10.786 1.00 10.00 C ATOM 340 O LEU A 24 -6.004 -1.717 11.231 1.00 10.00 O ATOM 341 CB LEU A 24 -3.887 -2.696 9.072 1.00 10.00 C ATOM 342 CG LEU A 24 -2.410 -2.802 8.661 1.00 10.00 C ATOM 343 CD1 LEU A 24 -2.218 -2.013 7.359 1.00 10.00 C ATOM 344 CD2 LEU A 24 -1.458 -2.200 9.701 1.00 10.00 C ATOM 0 H LEU A 24 -4.278 -5.125 9.710 1.00 10.00 H new ATOM 0 HA LEU A 24 -3.662 -2.714 11.234 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -4.480 -3.247 8.342 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -4.182 -1.649 8.999 1.00 10.00 H new ATOM 0 HG LEU A 24 -2.177 -3.861 8.555 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -1.175 -2.074 7.047 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -2.855 -2.434 6.581 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -2.487 -0.970 7.523 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -0.429 -2.304 9.356 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -1.690 -1.144 9.838 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -1.577 -2.724 10.650 1.00 10.00 H new ATOM 356 N GLY A 25 -6.689 -3.729 10.535 1.00 10.00 N ATOM 357 CA GLY A 25 -8.094 -3.549 10.906 1.00 10.00 C ATOM 358 C GLY A 25 -8.880 -2.554 10.045 1.00 10.00 C ATOM 359 O GLY A 25 -9.668 -1.781 10.577 1.00 10.00 O ATOM 0 H GLY A 25 -6.505 -4.614 10.063 1.00 10.00 H new ATOM 0 HA2 GLY A 25 -8.592 -4.518 10.857 1.00 10.00 H new ATOM 0 HA3 GLY A 25 -8.139 -3.219 11.944 1.00 10.00 H new ATOM 363 N CYS A 26 -8.685 -2.607 8.722 1.00 10.00 N ATOM 364 CA CYS A 26 -9.342 -1.810 7.671 1.00 10.00 C ATOM 365 C CYS A 26 -9.127 -0.293 7.788 1.00 10.00 C ATOM 366 O CYS A 26 -8.583 0.320 6.871 1.00 10.00 O ATOM 367 CB CYS A 26 -10.816 -2.108 7.550 1.00 10.00 C ATOM 368 SG CYS A 26 -11.268 -3.870 7.540 1.00 10.00 S ATOM 0 H CYS A 26 -8.010 -3.260 8.323 1.00 10.00 H new ATOM 0 HA CYS A 26 -8.839 -2.130 6.759 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -11.335 -1.624 8.377 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -11.186 -1.652 6.632 1.00 10.00 H new ATOM 0 HG CYS A 26 -12.558 -3.986 7.434 1.00 10.00 H new ATOM 373 N ASP A 27 -9.572 0.307 8.894 1.00 10.00 N ATOM 374 CA ASP A 27 -9.568 1.728 9.216 1.00 10.00 C ATOM 375 C ASP A 27 -8.215 2.365 8.888 1.00 10.00 C ATOM 376 O ASP A 27 -8.142 3.416 8.256 1.00 10.00 O ATOM 377 CB ASP A 27 -9.910 1.875 10.708 1.00 10.00 C ATOM 378 CG ASP A 27 -11.285 1.346 11.100 1.00 10.00 C ATOM 379 OD1 ASP A 27 -11.996 0.833 10.208 1.00 10.00 O ATOM 380 OD2 ASP A 27 -11.596 1.460 12.304 1.00 10.00 O ATOM 0 H ASP A 27 -9.980 -0.241 9.651 1.00 10.00 H new ATOM 0 HA ASP A 27 -10.310 2.251 8.613 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -9.154 1.352 11.294 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -9.850 2.929 10.979 1.00 10.00 H new ATOM 385 N ALA A 28 -7.140 1.653 9.237 1.00 10.00 N ATOM 386 CA ALA A 28 -5.758 1.948 8.872 1.00 10.00 C ATOM 387 C ALA A 28 -5.543 2.429 7.423 1.00 10.00 C ATOM 388 O ALA A 28 -4.653 3.237 7.171 1.00 10.00 O ATOM 389 CB ALA A 28 -4.969 0.664 9.089 1.00 10.00 C ATOM 0 H ALA A 28 -7.218 0.813 9.811 1.00 10.00 H new ATOM 0 HA ALA A 28 -5.429 2.781 9.493 1.00 10.00 H new ATOM 0 HB1 ALA A 28 -3.924 0.831 8.829 1.00 10.00 H new ATOM 0 HB2 ALA A 28 -5.040 0.366 10.135 1.00 10.00 H new ATOM 0 HB3 ALA A 28 -5.378 -0.125 8.458 1.00 10.00 H new ATOM 395 N CYS A 29 -6.322 1.905 6.469 1.00 10.00 N ATOM 396 CA CYS A 29 -6.281 2.278 5.055 1.00 10.00 C ATOM 397 C CYS A 29 -7.565 3.008 4.623 1.00 10.00 C ATOM 398 O CYS A 29 -7.693 3.404 3.467 1.00 10.00 O ATOM 399 CB CYS A 29 -6.133 1.030 4.224 1.00 10.00 C ATOM 400 SG CYS A 29 -4.492 0.231 4.349 1.00 10.00 S ATOM 0 H CYS A 29 -7.019 1.188 6.669 1.00 10.00 H new ATOM 0 HA CYS A 29 -5.436 2.951 4.907 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -6.897 0.314 4.527 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -6.325 1.278 3.180 1.00 10.00 H new ATOM 0 HG CYS A 29 -4.469 -0.832 3.601 1.00 10.00 H new ATOM 405 N HIS A 30 -8.541 3.151 5.520 1.00 10.00 N ATOM 406 CA HIS A 30 -9.902 3.522 5.188 1.00 10.00 C ATOM 407 C HIS A 30 -10.557 4.372 6.278 1.00 10.00 C ATOM 408 O HIS A 30 -11.530 3.968 6.915 1.00 10.00 O ATOM 409 CB HIS A 30 -10.691 2.243 4.902 1.00 10.00 C ATOM 410 CG HIS A 30 -10.346 1.538 3.623 1.00 10.00 C ATOM 411 ND1 HIS A 30 -10.423 2.068 2.364 1.00 10.00 N ATOM 412 CD2 HIS A 30 -10.106 0.205 3.484 1.00 10.00 C ATOM 413 CE1 HIS A 30 -10.207 1.070 1.481 1.00 10.00 C ATOM 414 NE2 HIS A 30 -10.009 -0.097 2.114 1.00 10.00 N ATOM 0 H HIS A 30 -8.396 3.007 6.519 1.00 10.00 H new ATOM 0 HA HIS A 30 -9.896 4.153 4.300 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -10.538 1.551 5.730 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -11.753 2.489 4.885 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -10.007 -0.504 4.293 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -10.195 1.194 0.408 1.00 10.00 H new ATOM 0 HE2 HIS A 30 -9.827 -1.008 1.692 1.00 10.00 H new ATOM 422 N GLU A 31 -10.063 5.599 6.415 1.00 10.00 N ATOM 423 CA GLU A 31 -10.597 6.565 7.353 1.00 10.00 C ATOM 424 C GLU A 31 -12.011 7.044 6.980 1.00 10.00 C ATOM 425 O GLU A 31 -12.190 8.081 6.343 1.00 10.00 O ATOM 426 CB GLU A 31 -9.596 7.719 7.490 1.00 10.00 C ATOM 427 CG GLU A 31 -8.604 7.468 8.639 1.00 10.00 C ATOM 428 CD GLU A 31 -9.213 7.649 10.030 1.00 10.00 C ATOM 429 OE1 GLU A 31 -10.453 7.797 10.109 1.00 10.00 O ATOM 430 OE2 GLU A 31 -8.415 7.654 10.989 1.00 10.00 O ATOM 0 H GLU A 31 -9.274 5.948 5.871 1.00 10.00 H new ATOM 0 HA GLU A 31 -10.721 6.084 8.323 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -9.049 7.841 6.555 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -10.134 8.650 7.669 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -8.212 6.455 8.553 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -7.758 8.147 8.532 1.00 10.00 H new ATOM 437 N GLY A 32 -13.022 6.268 7.378 1.00 10.00 N ATOM 438 CA GLY A 32 -14.432 6.647 7.324 1.00 10.00 C ATOM 439 C GLY A 32 -15.297 5.593 6.637 1.00 10.00 C ATOM 440 O GLY A 32 -16.238 5.078 7.236 1.00 10.00 O ATOM 0 H GLY A 32 -12.876 5.332 7.757 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -14.800 6.810 8.337 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -14.530 7.594 6.794 1.00 10.00 H new ATOM 444 N THR A 33 -14.995 5.281 5.371 1.00 10.00 N ATOM 445 CA THR A 33 -15.700 4.250 4.602 1.00 10.00 C ATOM 446 C THR A 33 -14.727 3.452 3.716 1.00 10.00 C ATOM 447 O THR A 33 -13.787 4.022 3.156 1.00 10.00 O ATOM 448 CB THR A 33 -16.830 4.851 3.749 1.00 10.00 C ATOM 449 OG1 THR A 33 -16.323 5.824 2.866 1.00 10.00 O ATOM 450 CG2 THR A 33 -17.932 5.495 4.593 1.00 10.00 C ATOM 0 H THR A 33 -14.249 5.740 4.848 1.00 10.00 H new ATOM 0 HA THR A 33 -16.150 3.566 5.322 1.00 10.00 H new ATOM 0 HB THR A 33 -17.263 4.018 3.195 1.00 10.00 H new ATOM 0 HG1 THR A 33 -17.056 6.194 2.331 1.00 10.00 H new ATOM 0 HG21 THR A 33 -18.702 5.902 3.937 1.00 10.00 H new ATOM 0 HG22 THR A 33 -18.373 4.745 5.249 1.00 10.00 H new ATOM 0 HG23 THR A 33 -17.507 6.298 5.195 1.00 10.00 H new ATOM 458 N PRO A 34 -14.917 2.128 3.589 1.00 10.00 N ATOM 459 CA PRO A 34 -14.066 1.281 2.770 1.00 10.00 C ATOM 460 C PRO A 34 -14.501 1.306 1.296 1.00 10.00 C ATOM 461 O PRO A 34 -15.377 0.546 0.889 1.00 10.00 O ATOM 462 CB PRO A 34 -14.203 -0.103 3.399 1.00 10.00 C ATOM 463 CG PRO A 34 -15.634 -0.123 3.929 1.00 10.00 C ATOM 464 CD PRO A 34 -15.852 1.322 4.364 1.00 10.00 C ATOM 0 HA PRO A 34 -13.028 1.614 2.752 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -14.037 -0.893 2.667 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -13.478 -0.252 4.199 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -16.346 -0.426 3.161 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -15.748 -0.818 4.761 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -16.880 1.633 4.178 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -15.672 1.438 5.433 1.00 10.00 H new ATOM 472 N ALA A 35 -13.881 2.173 0.489 1.00 10.00 N ATOM 473 CA ALA A 35 -14.172 2.330 -0.939 1.00 10.00 C ATOM 474 C ALA A 35 -12.919 2.163 -1.815 1.00 10.00 C ATOM 475 O ALA A 35 -11.808 1.993 -1.309 1.00 10.00 O ATOM 476 CB ALA A 35 -14.823 3.702 -1.144 1.00 10.00 C ATOM 0 H ALA A 35 -13.146 2.799 0.818 1.00 10.00 H new ATOM 0 HA ALA A 35 -14.855 1.541 -1.253 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -15.050 3.843 -2.201 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -15.745 3.758 -0.565 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -14.138 4.483 -0.812 1.00 10.00 H new ATOM 482 N LYS A 36 -13.082 2.217 -3.144 1.00 10.00 N ATOM 483 CA LYS A 36 -11.950 2.166 -4.066 1.00 10.00 C ATOM 484 C LYS A 36 -11.104 3.450 -4.006 1.00 10.00 C ATOM 485 O LYS A 36 -11.415 4.443 -4.661 1.00 10.00 O ATOM 486 CB LYS A 36 -12.395 1.940 -5.514 1.00 10.00 C ATOM 487 CG LYS A 36 -13.070 0.602 -5.846 1.00 10.00 C ATOM 488 CD LYS A 36 -12.014 -0.493 -6.055 1.00 10.00 C ATOM 489 CE LYS A 36 -12.617 -1.762 -6.664 1.00 10.00 C ATOM 490 NZ LYS A 36 -11.635 -2.863 -6.609 1.00 10.00 N ATOM 0 H LYS A 36 -13.991 2.296 -3.601 1.00 10.00 H new ATOM 0 HA LYS A 36 -11.345 1.319 -3.743 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -13.084 2.741 -5.783 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -11.520 2.044 -6.155 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -13.744 0.317 -5.038 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -13.677 0.707 -6.745 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -11.226 -0.117 -6.707 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -11.549 -0.735 -5.100 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -13.520 -2.042 -6.122 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -12.910 -1.576 -7.697 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -12.052 -3.721 -7.024 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -10.785 -2.597 -7.145 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -11.376 -3.048 -5.619 1.00 10.00 H new ATOM 504 N ILE A 37 -10.001 3.416 -3.263 1.00 10.00 N ATOM 505 CA ILE A 37 -8.980 4.461 -3.314 1.00 10.00 C ATOM 506 C ILE A 37 -8.183 4.326 -4.624 1.00 10.00 C ATOM 507 O ILE A 37 -7.814 3.218 -5.005 1.00 10.00 O ATOM 508 CB ILE A 37 -8.070 4.352 -2.076 1.00 10.00 C ATOM 509 CG1 ILE A 37 -8.913 4.475 -0.792 1.00 10.00 C ATOM 510 CG2 ILE A 37 -6.994 5.451 -2.105 1.00 10.00 C ATOM 511 CD1 ILE A 37 -8.110 4.216 0.483 1.00 10.00 C ATOM 0 H ILE A 37 -9.789 2.663 -2.608 1.00 10.00 H new ATOM 0 HA ILE A 37 -9.443 5.448 -3.300 1.00 10.00 H new ATOM 0 HB ILE A 37 -7.577 3.380 -2.088 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -9.346 5.474 -0.744 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -9.743 3.770 -0.841 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -6.359 5.361 -1.224 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -6.386 5.342 -3.003 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -7.474 6.430 -2.108 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -8.762 4.318 1.351 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -7.699 3.207 0.455 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -7.296 4.938 0.553 1.00 10.00 H new ATOM 523 N ALA A 38 -7.909 5.436 -5.320 1.00 10.00 N ATOM 524 CA ALA A 38 -7.107 5.419 -6.543 1.00 10.00 C ATOM 525 C ALA A 38 -5.601 5.386 -6.244 1.00 10.00 C ATOM 526 O ALA A 38 -5.028 6.345 -5.721 1.00 10.00 O ATOM 527 CB ALA A 38 -7.463 6.611 -7.427 1.00 10.00 C ATOM 0 H ALA A 38 -8.236 6.364 -5.051 1.00 10.00 H new ATOM 0 HA ALA A 38 -7.344 4.501 -7.081 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -6.858 6.585 -8.333 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -8.519 6.564 -7.694 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -7.267 7.537 -6.886 1.00 10.00 H new ATOM 533 N ILE A 39 -4.961 4.267 -6.578 1.00 10.00 N ATOM 534 CA ILE A 39 -3.564 3.992 -6.263 1.00 10.00 C ATOM 535 C ILE A 39 -2.669 4.123 -7.503 1.00 10.00 C ATOM 536 O ILE A 39 -2.852 3.406 -8.480 1.00 10.00 O ATOM 537 CB ILE A 39 -3.454 2.619 -5.594 1.00 10.00 C ATOM 538 CG1 ILE A 39 -4.416 2.492 -4.398 1.00 10.00 C ATOM 539 CG2 ILE A 39 -2.007 2.390 -5.144 1.00 10.00 C ATOM 540 CD1 ILE A 39 -4.169 3.504 -3.271 1.00 10.00 C ATOM 0 H ILE A 39 -5.413 3.508 -7.088 1.00 10.00 H new ATOM 0 HA ILE A 39 -3.200 4.740 -5.558 1.00 10.00 H new ATOM 0 HB ILE A 39 -3.738 1.857 -6.320 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -5.439 2.609 -4.757 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -4.335 1.485 -3.989 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -1.925 1.413 -4.667 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -1.346 2.428 -6.010 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -1.720 3.166 -4.434 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -4.891 3.341 -2.471 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -3.160 3.374 -2.880 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -4.280 4.516 -3.660 1.00 10.00 H new ATOM 552 N ASP A 40 -1.712 5.052 -7.445 1.00 10.00 N ATOM 553 CA ASP A 40 -0.828 5.419 -8.550 1.00 10.00 C ATOM 554 C ASP A 40 0.378 6.194 -7.994 1.00 10.00 C ATOM 555 O ASP A 40 0.438 6.499 -6.799 1.00 10.00 O ATOM 556 CB ASP A 40 -1.673 6.264 -9.531 1.00 10.00 C ATOM 557 CG ASP A 40 -0.920 6.999 -10.630 1.00 10.00 C ATOM 558 OD1 ASP A 40 0.030 6.395 -11.172 1.00 10.00 O ATOM 559 OD2 ASP A 40 -1.251 8.183 -10.845 1.00 10.00 O ATOM 0 H ASP A 40 -1.526 5.587 -6.597 1.00 10.00 H new ATOM 0 HA ASP A 40 -0.430 4.551 -9.075 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -2.405 5.607 -10.002 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -2.231 6.999 -8.952 1.00 10.00 H new ATOM 564 N LYS A 41 1.319 6.552 -8.867 1.00 10.00 N ATOM 565 CA LYS A 41 2.485 7.398 -8.621 1.00 10.00 C ATOM 566 C LYS A 41 2.088 8.868 -8.358 1.00 10.00 C ATOM 567 O LYS A 41 2.561 9.800 -9.005 1.00 10.00 O ATOM 568 CB LYS A 41 3.419 7.262 -9.833 1.00 10.00 C ATOM 569 CG LYS A 41 4.810 7.862 -9.571 1.00 10.00 C ATOM 570 CD LYS A 41 5.211 8.892 -10.637 1.00 10.00 C ATOM 571 CE LYS A 41 5.432 8.231 -12.004 1.00 10.00 C ATOM 572 NZ LYS A 41 5.736 9.238 -13.042 1.00 10.00 N ATOM 0 H LYS A 41 1.283 6.235 -9.836 1.00 10.00 H new ATOM 0 HA LYS A 41 2.998 7.072 -7.717 1.00 10.00 H new ATOM 0 HB2 LYS A 41 3.524 6.208 -10.091 1.00 10.00 H new ATOM 0 HB3 LYS A 41 2.969 7.758 -10.693 1.00 10.00 H new ATOM 0 HG2 LYS A 41 4.820 8.336 -8.589 1.00 10.00 H new ATOM 0 HG3 LYS A 41 5.550 7.062 -9.546 1.00 10.00 H new ATOM 0 HD2 LYS A 41 4.434 9.652 -10.721 1.00 10.00 H new ATOM 0 HD3 LYS A 41 6.123 9.402 -10.327 1.00 10.00 H new ATOM 0 HE2 LYS A 41 6.252 7.516 -11.937 1.00 10.00 H new ATOM 0 HE3 LYS A 41 4.542 7.670 -12.288 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 5.881 8.762 -13.955 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 4.942 9.906 -13.121 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 6.599 9.756 -12.781 1.00 10.00 H new ATOM 586 N LYS A 42 1.216 9.063 -7.370 1.00 10.00 N ATOM 587 CA LYS A 42 0.529 10.307 -7.042 1.00 10.00 C ATOM 588 C LYS A 42 -0.016 10.191 -5.611 1.00 10.00 C ATOM 589 O LYS A 42 0.187 11.078 -4.787 1.00 10.00 O ATOM 590 CB LYS A 42 -0.589 10.544 -8.076 1.00 10.00 C ATOM 591 CG LYS A 42 -0.776 12.018 -8.445 1.00 10.00 C ATOM 592 CD LYS A 42 -1.408 12.849 -7.319 1.00 10.00 C ATOM 593 CE LYS A 42 -1.653 14.282 -7.812 1.00 10.00 C ATOM 594 NZ LYS A 42 -2.346 15.101 -6.794 1.00 10.00 N ATOM 0 H LYS A 42 0.955 8.306 -6.738 1.00 10.00 H new ATOM 0 HA LYS A 42 1.202 11.163 -7.082 1.00 10.00 H new ATOM 0 HB2 LYS A 42 -0.364 9.977 -8.979 1.00 10.00 H new ATOM 0 HB3 LYS A 42 -1.527 10.155 -7.681 1.00 10.00 H new ATOM 0 HG2 LYS A 42 0.192 12.446 -8.704 1.00 10.00 H new ATOM 0 HG3 LYS A 42 -1.403 12.086 -9.334 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -2.348 12.397 -7.003 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -0.751 12.860 -6.449 1.00 10.00 H new ATOM 0 HE2 LYS A 42 -0.700 14.747 -8.066 1.00 10.00 H new ATOM 0 HE3 LYS A 42 -2.248 14.256 -8.725 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -2.494 16.062 -7.163 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -3.266 14.671 -6.570 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -1.766 15.147 -5.932 1.00 10.00 H new ATOM 608 N SER A 43 -0.666 9.058 -5.321 1.00 10.00 N ATOM 609 CA SER A 43 -1.044 8.585 -3.997 1.00 10.00 C ATOM 610 C SER A 43 0.048 7.675 -3.409 1.00 10.00 C ATOM 611 O SER A 43 0.673 8.015 -2.404 1.00 10.00 O ATOM 612 CB SER A 43 -2.377 7.840 -4.155 1.00 10.00 C ATOM 613 OG SER A 43 -2.324 6.978 -5.284 1.00 10.00 O ATOM 0 H SER A 43 -0.957 8.412 -6.054 1.00 10.00 H new ATOM 0 HA SER A 43 -1.156 9.416 -3.301 1.00 10.00 H new ATOM 0 HB2 SER A 43 -2.588 7.261 -3.256 1.00 10.00 H new ATOM 0 HB3 SER A 43 -3.191 8.556 -4.272 1.00 10.00 H new ATOM 0 HG SER A 43 -3.234 6.783 -5.590 1.00 10.00 H new ATOM 619 N ALA A 44 0.295 6.531 -4.058 1.00 10.00 N ATOM 620 CA ALA A 44 1.186 5.456 -3.608 1.00 10.00 C ATOM 621 C ALA A 44 2.606 5.927 -3.280 1.00 10.00 C ATOM 622 O ALA A 44 3.231 5.504 -2.311 1.00 10.00 O ATOM 623 CB ALA A 44 1.278 4.388 -4.696 1.00 10.00 C ATOM 0 H ALA A 44 -0.143 6.320 -4.955 1.00 10.00 H new ATOM 0 HA ALA A 44 0.751 5.066 -2.688 1.00 10.00 H new ATOM 0 HB1 ALA A 44 1.939 3.587 -4.365 1.00 10.00 H new ATOM 0 HB2 ALA A 44 0.286 3.981 -4.892 1.00 10.00 H new ATOM 0 HB3 ALA A 44 1.675 4.832 -5.609 1.00 10.00 H new ATOM 629 N HIS A 45 3.143 6.785 -4.147 1.00 10.00 N ATOM 630 CA HIS A 45 4.479 7.346 -3.997 1.00 10.00 C ATOM 631 C HIS A 45 4.531 8.543 -3.025 1.00 10.00 C ATOM 632 O HIS A 45 5.618 9.044 -2.747 1.00 10.00 O ATOM 633 CB HIS A 45 5.021 7.689 -5.389 1.00 10.00 C ATOM 634 CG HIS A 45 5.731 6.558 -6.107 1.00 10.00 C ATOM 635 ND1 HIS A 45 6.727 6.764 -7.028 1.00 10.00 N ATOM 636 CD2 HIS A 45 5.633 5.199 -5.900 1.00 10.00 C ATOM 637 CE1 HIS A 45 7.209 5.563 -7.377 1.00 10.00 C ATOM 638 NE2 HIS A 45 6.592 4.572 -6.714 1.00 10.00 N ATOM 0 H HIS A 45 2.655 7.112 -4.981 1.00 10.00 H new ATOM 0 HA HIS A 45 5.123 6.599 -3.534 1.00 10.00 H new ATOM 0 HB2 HIS A 45 4.192 8.027 -6.010 1.00 10.00 H new ATOM 0 HB3 HIS A 45 5.711 8.527 -5.295 1.00 10.00 H new ATOM 0 HD2 HIS A 45 4.943 4.705 -5.232 1.00 10.00 H new ATOM 0 HE1 HIS A 45 7.996 5.411 -8.101 1.00 10.00 H new ATOM 0 HE2 HIS A 45 6.780 3.572 -6.786 1.00 10.00 H new ATOM 646 N LYS A 46 3.386 8.995 -2.497 1.00 10.00 N ATOM 647 CA LYS A 46 3.297 10.071 -1.510 1.00 10.00 C ATOM 648 C LYS A 46 2.979 9.505 -0.117 1.00 10.00 C ATOM 649 O LYS A 46 3.872 9.310 0.711 1.00 10.00 O ATOM 650 CB LYS A 46 2.221 11.077 -1.966 1.00 10.00 C ATOM 651 CG LYS A 46 2.764 12.155 -2.915 1.00 10.00 C ATOM 652 CD LYS A 46 3.273 13.359 -2.106 1.00 10.00 C ATOM 653 CE LYS A 46 3.728 14.491 -3.034 1.00 10.00 C ATOM 654 NZ LYS A 46 4.057 15.713 -2.268 1.00 10.00 N ATOM 0 H LYS A 46 2.476 8.611 -2.753 1.00 10.00 H new ATOM 0 HA LYS A 46 4.256 10.584 -1.437 1.00 10.00 H new ATOM 0 HB2 LYS A 46 1.415 10.537 -2.463 1.00 10.00 H new ATOM 0 HB3 LYS A 46 1.788 11.559 -1.089 1.00 10.00 H new ATOM 0 HG2 LYS A 46 3.573 11.745 -3.520 1.00 10.00 H new ATOM 0 HG3 LYS A 46 1.981 12.473 -3.603 1.00 10.00 H new ATOM 0 HD2 LYS A 46 2.483 13.719 -1.447 1.00 10.00 H new ATOM 0 HD3 LYS A 46 4.102 13.050 -1.470 1.00 10.00 H new ATOM 0 HE2 LYS A 46 4.600 14.170 -3.603 1.00 10.00 H new ATOM 0 HE3 LYS A 46 2.941 14.712 -3.755 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 4.362 16.462 -2.923 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 3.217 16.032 -1.745 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 4.824 15.506 -1.597 1.00 10.00 H new ATOM 668 N ASP A 47 1.691 9.279 0.148 1.00 10.00 N ATOM 669 CA ASP A 47 1.180 8.983 1.475 1.00 10.00 C ATOM 670 C ASP A 47 0.793 7.504 1.588 1.00 10.00 C ATOM 671 O ASP A 47 1.461 6.732 2.281 1.00 10.00 O ATOM 672 CB ASP A 47 0.027 9.940 1.782 1.00 10.00 C ATOM 673 CG ASP A 47 -0.561 9.611 3.141 1.00 10.00 C ATOM 674 OD1 ASP A 47 0.181 9.787 4.129 1.00 10.00 O ATOM 675 OD2 ASP A 47 -1.714 9.134 3.145 1.00 10.00 O ATOM 0 H ASP A 47 0.967 9.298 -0.570 1.00 10.00 H new ATOM 0 HA ASP A 47 1.951 9.143 2.228 1.00 10.00 H new ATOM 0 HB2 ASP A 47 0.383 10.970 1.769 1.00 10.00 H new ATOM 0 HB3 ASP A 47 -0.741 9.858 1.013 1.00 10.00 H new ATOM 680 N ALA A 48 -0.265 7.125 0.863 1.00 10.00 N ATOM 681 CA ALA A 48 -0.762 5.758 0.760 1.00 10.00 C ATOM 682 C ALA A 48 0.389 4.761 0.569 1.00 10.00 C ATOM 683 O ALA A 48 1.232 4.933 -0.307 1.00 10.00 O ATOM 684 CB ALA A 48 -1.768 5.677 -0.390 1.00 10.00 C ATOM 0 H ALA A 48 -0.814 7.787 0.315 1.00 10.00 H new ATOM 0 HA ALA A 48 -1.262 5.487 1.690 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -2.144 4.657 -0.473 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -2.599 6.355 -0.195 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -1.279 5.960 -1.322 1.00 10.00 H new ATOM 690 N CYS A 49 0.457 3.747 1.434 1.00 10.00 N ATOM 691 CA CYS A 49 1.564 2.792 1.514 1.00 10.00 C ATOM 692 C CYS A 49 2.871 3.454 1.981 1.00 10.00 C ATOM 693 O CYS A 49 3.333 3.172 3.085 1.00 10.00 O ATOM 694 CB CYS A 49 1.732 1.954 0.251 1.00 10.00 C ATOM 695 SG CYS A 49 0.208 1.652 -0.722 1.00 10.00 S ATOM 0 H CYS A 49 -0.277 3.562 2.117 1.00 10.00 H new ATOM 0 HA CYS A 49 1.290 2.077 2.290 1.00 10.00 H new ATOM 0 HB2 CYS A 49 2.459 2.447 -0.394 1.00 10.00 H new ATOM 0 HB3 CYS A 49 2.157 0.990 0.532 1.00 10.00 H new ATOM 0 HG CYS A 49 0.495 0.932 -1.765 1.00 10.00 H new ATOM 700 N LYS A 50 3.478 4.334 1.174 1.00 10.00 N ATOM 701 CA LYS A 50 4.795 4.905 1.453 1.00 10.00 C ATOM 702 C LYS A 50 4.935 5.498 2.858 1.00 10.00 C ATOM 703 O LYS A 50 5.857 5.120 3.577 1.00 10.00 O ATOM 704 CB LYS A 50 5.187 5.947 0.394 1.00 10.00 C ATOM 705 CG LYS A 50 6.069 5.377 -0.727 1.00 10.00 C ATOM 706 CD LYS A 50 7.591 5.369 -0.454 1.00 10.00 C ATOM 707 CE LYS A 50 8.062 4.426 0.670 1.00 10.00 C ATOM 708 NZ LYS A 50 9.531 4.202 0.639 1.00 10.00 N ATOM 0 H LYS A 50 3.063 4.670 0.305 1.00 10.00 H new ATOM 0 HA LYS A 50 5.486 4.063 1.406 1.00 10.00 H new ATOM 0 HB2 LYS A 50 4.282 6.367 -0.044 1.00 10.00 H new ATOM 0 HB3 LYS A 50 5.715 6.767 0.880 1.00 10.00 H new ATOM 0 HG2 LYS A 50 5.751 4.354 -0.928 1.00 10.00 H new ATOM 0 HG3 LYS A 50 5.886 5.952 -1.635 1.00 10.00 H new ATOM 0 HD2 LYS A 50 8.105 5.093 -1.374 1.00 10.00 H new ATOM 0 HD3 LYS A 50 7.903 6.384 -0.207 1.00 10.00 H new ATOM 0 HE2 LYS A 50 7.781 4.846 1.636 1.00 10.00 H new ATOM 0 HE3 LYS A 50 7.549 3.469 0.577 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 9.801 3.562 1.413 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 9.798 3.776 -0.272 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 10.023 5.111 0.754 1.00 10.00 H new ATOM 722 N THR A 51 4.083 6.447 3.250 1.00 10.00 N ATOM 723 CA THR A 51 4.276 7.173 4.509 1.00 10.00 C ATOM 724 C THR A 51 3.963 6.303 5.735 1.00 10.00 C ATOM 725 O THR A 51 4.714 6.331 6.712 1.00 10.00 O ATOM 726 CB THR A 51 3.548 8.525 4.481 1.00 10.00 C ATOM 727 OG1 THR A 51 4.184 9.346 3.513 1.00 10.00 O ATOM 728 CG2 THR A 51 3.670 9.264 5.814 1.00 10.00 C ATOM 0 H THR A 51 3.259 6.730 2.720 1.00 10.00 H new ATOM 0 HA THR A 51 5.335 7.410 4.612 1.00 10.00 H new ATOM 0 HB THR A 51 2.497 8.335 4.263 1.00 10.00 H new ATOM 0 HG1 THR A 51 3.987 9.006 2.615 1.00 10.00 H new ATOM 0 HG21 THR A 51 3.142 10.215 5.752 1.00 10.00 H new ATOM 0 HG22 THR A 51 3.234 8.657 6.608 1.00 10.00 H new ATOM 0 HG23 THR A 51 4.722 9.447 6.034 1.00 10.00 H new ATOM 736 N CYS A 52 2.919 5.463 5.672 1.00 10.00 N ATOM 737 CA CYS A 52 2.715 4.421 6.688 1.00 10.00 C ATOM 738 C CYS A 52 3.975 3.559 6.814 1.00 10.00 C ATOM 739 O CYS A 52 4.571 3.463 7.883 1.00 10.00 O ATOM 740 CB CYS A 52 1.498 3.578 6.387 1.00 10.00 C ATOM 741 SG CYS A 52 1.261 2.394 7.754 1.00 10.00 S ATOM 0 H CYS A 52 2.211 5.484 4.938 1.00 10.00 H new ATOM 0 HA CYS A 52 2.531 4.909 7.645 1.00 10.00 H new ATOM 0 HB2 CYS A 52 0.617 4.210 6.277 1.00 10.00 H new ATOM 0 HB3 CYS A 52 1.629 3.047 5.444 1.00 10.00 H new ATOM 0 HG CYS A 52 0.216 1.659 7.515 1.00 10.00 H new ATOM 746 N HIS A 53 4.441 3.007 5.692 1.00 10.00 N ATOM 747 CA HIS A 53 5.687 2.263 5.637 1.00 10.00 C ATOM 748 C HIS A 53 6.869 3.014 6.284 1.00 10.00 C ATOM 749 O HIS A 53 7.557 2.447 7.129 1.00 10.00 O ATOM 750 CB HIS A 53 5.947 1.872 4.181 1.00 10.00 C ATOM 751 CG HIS A 53 5.144 0.693 3.701 1.00 10.00 C ATOM 752 ND1 HIS A 53 5.428 -0.063 2.592 1.00 10.00 N ATOM 753 CD2 HIS A 53 4.054 0.132 4.303 1.00 10.00 C ATOM 754 CE1 HIS A 53 4.517 -1.055 2.531 1.00 10.00 C ATOM 755 NE2 HIS A 53 3.656 -0.985 3.555 1.00 10.00 N ATOM 0 H HIS A 53 3.958 3.067 4.796 1.00 10.00 H new ATOM 0 HA HIS A 53 5.592 1.359 6.238 1.00 10.00 H new ATOM 0 HB2 HIS A 53 5.729 2.729 3.543 1.00 10.00 H new ATOM 0 HB3 HIS A 53 7.007 1.647 4.062 1.00 10.00 H new ATOM 0 HD2 HIS A 53 3.578 0.489 5.204 1.00 10.00 H new ATOM 0 HE1 HIS A 53 4.485 -1.808 1.757 1.00 10.00 H new ATOM 0 HE2 HIS A 53 2.875 -1.612 3.749 1.00 10.00 H new ATOM 763 N LYS A 54 7.115 4.279 5.923 1.00 10.00 N ATOM 764 CA LYS A 54 8.116 5.104 6.602 1.00 10.00 C ATOM 765 C LYS A 54 7.957 5.079 8.129 1.00 10.00 C ATOM 766 O LYS A 54 8.932 4.885 8.856 1.00 10.00 O ATOM 767 CB LYS A 54 8.094 6.535 6.088 1.00 10.00 C ATOM 768 CG LYS A 54 8.586 6.614 4.646 1.00 10.00 C ATOM 769 CD LYS A 54 9.242 7.985 4.493 1.00 10.00 C ATOM 770 CE LYS A 54 9.534 8.349 3.034 1.00 10.00 C ATOM 771 NZ LYS A 54 10.100 9.713 2.934 1.00 10.00 N ATOM 0 H LYS A 54 6.631 4.753 5.161 1.00 10.00 H new ATOM 0 HA LYS A 54 9.087 4.667 6.369 1.00 10.00 H new ATOM 0 HB2 LYS A 54 7.080 6.931 6.151 1.00 10.00 H new ATOM 0 HB3 LYS A 54 8.720 7.161 6.723 1.00 10.00 H new ATOM 0 HG2 LYS A 54 9.298 5.816 4.433 1.00 10.00 H new ATOM 0 HG3 LYS A 54 7.759 6.498 3.946 1.00 10.00 H new ATOM 0 HD2 LYS A 54 8.591 8.744 4.928 1.00 10.00 H new ATOM 0 HD3 LYS A 54 10.173 8.001 5.059 1.00 10.00 H new ATOM 0 HE2 LYS A 54 10.232 7.629 2.608 1.00 10.00 H new ATOM 0 HE3 LYS A 54 8.616 8.288 2.449 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 10.290 9.938 1.936 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 9.421 10.400 3.321 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 10.987 9.761 3.475 1.00 10.00 H new ATOM 859 N LYS A 61 14.722 0.934 -0.469 1.00 10.00 N ATOM 860 CA LYS A 61 15.058 0.439 -1.800 1.00 10.00 C ATOM 861 C LYS A 61 13.803 -0.031 -2.551 1.00 10.00 C ATOM 862 O LYS A 61 12.982 -0.785 -2.030 1.00 10.00 O ATOM 863 CB LYS A 61 16.093 -0.679 -1.656 1.00 10.00 C ATOM 864 CG LYS A 61 16.755 -1.121 -2.969 1.00 10.00 C ATOM 865 CD LYS A 61 17.924 -2.060 -2.628 1.00 10.00 C ATOM 866 CE LYS A 61 18.629 -2.569 -3.892 1.00 10.00 C ATOM 867 NZ LYS A 61 19.807 -3.402 -3.553 1.00 10.00 N ATOM 0 HA LYS A 61 15.486 1.244 -2.397 1.00 10.00 H new ATOM 0 HB2 LYS A 61 16.871 -0.348 -0.968 1.00 10.00 H new ATOM 0 HB3 LYS A 61 15.611 -1.544 -1.200 1.00 10.00 H new ATOM 0 HG2 LYS A 61 16.032 -1.631 -3.606 1.00 10.00 H new ATOM 0 HG3 LYS A 61 17.114 -0.254 -3.524 1.00 10.00 H new ATOM 0 HD2 LYS A 61 18.641 -1.534 -1.998 1.00 10.00 H new ATOM 0 HD3 LYS A 61 17.554 -2.908 -2.051 1.00 10.00 H new ATOM 0 HE2 LYS A 61 17.929 -3.151 -4.492 1.00 10.00 H new ATOM 0 HE3 LYS A 61 18.943 -1.722 -4.502 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 20.263 -3.731 -4.428 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 20.484 -2.837 -3.001 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 19.502 -4.223 -2.992 1.00 10.00 H new ATOM 881 N CYS A 62 13.674 0.420 -3.798 1.00 10.00 N ATOM 882 CA CYS A 62 12.477 0.282 -4.637 1.00 10.00 C ATOM 883 C CYS A 62 11.986 -1.170 -4.745 1.00 10.00 C ATOM 884 O CYS A 62 10.789 -1.449 -4.645 1.00 10.00 O ATOM 885 CB CYS A 62 12.748 0.849 -6.012 1.00 10.00 C ATOM 886 SG CYS A 62 13.602 2.462 -5.970 1.00 10.00 S ATOM 0 H CYS A 62 14.430 0.912 -4.274 1.00 10.00 H new ATOM 0 HA CYS A 62 11.678 0.845 -4.154 1.00 10.00 H new ATOM 0 HB2 CYS A 62 13.352 0.140 -6.578 1.00 10.00 H new ATOM 0 HB3 CYS A 62 11.804 0.959 -6.545 1.00 10.00 H new ATOM 0 HG CYS A 62 13.800 2.880 -7.185 1.00 10.00 H new ATOM 891 N GLY A 63 12.914 -2.110 -4.943 1.00 10.00 N ATOM 892 CA GLY A 63 12.616 -3.540 -5.014 1.00 10.00 C ATOM 893 C GLY A 63 11.881 -4.085 -3.779 1.00 10.00 C ATOM 894 O GLY A 63 11.242 -5.130 -3.844 1.00 10.00 O ATOM 0 H GLY A 63 13.904 -1.895 -5.060 1.00 10.00 H new ATOM 0 HA2 GLY A 63 12.010 -3.731 -5.899 1.00 10.00 H new ATOM 0 HA3 GLY A 63 13.549 -4.090 -5.142 1.00 10.00 H new ATOM 898 N GLY A 64 11.938 -3.373 -2.647 1.00 10.00 N ATOM 899 CA GLY A 64 11.194 -3.730 -1.447 1.00 10.00 C ATOM 900 C GLY A 64 9.668 -3.596 -1.584 1.00 10.00 C ATOM 901 O GLY A 64 8.952 -4.074 -0.709 1.00 10.00 O ATOM 0 H GLY A 64 12.505 -2.531 -2.544 1.00 10.00 H new ATOM 0 HA2 GLY A 64 11.434 -4.759 -1.178 1.00 10.00 H new ATOM 0 HA3 GLY A 64 11.530 -3.099 -0.624 1.00 10.00 H new ATOM 905 N CYS A 65 9.166 -2.955 -2.652 1.00 10.00 N ATOM 906 CA CYS A 65 7.733 -2.966 -2.985 1.00 10.00 C ATOM 907 C CYS A 65 7.479 -3.768 -4.270 1.00 10.00 C ATOM 908 O CYS A 65 6.916 -4.856 -4.240 1.00 10.00 O ATOM 909 CB CYS A 65 7.205 -1.556 -3.094 1.00 10.00 C ATOM 910 SG CYS A 65 7.118 -0.751 -1.465 1.00 10.00 S ATOM 0 H CYS A 65 9.738 -2.418 -3.304 1.00 10.00 H new ATOM 0 HA CYS A 65 7.191 -3.461 -2.179 1.00 10.00 H new ATOM 0 HB2 CYS A 65 7.849 -0.975 -3.755 1.00 10.00 H new ATOM 0 HB3 CYS A 65 6.214 -1.571 -3.547 1.00 10.00 H new ATOM 0 HG CYS A 65 6.662 0.459 -1.603 1.00 10.00 H new ATOM 915 N HIS A 66 7.896 -3.220 -5.408 1.00 10.00 N ATOM 916 CA HIS A 66 7.797 -3.852 -6.722 1.00 10.00 C ATOM 917 C HIS A 66 8.732 -5.081 -6.783 1.00 10.00 C ATOM 918 O HIS A 66 9.943 -4.908 -6.661 1.00 10.00 O ATOM 919 CB HIS A 66 8.111 -2.835 -7.850 1.00 10.00 C ATOM 920 CG HIS A 66 8.166 -1.394 -7.454 1.00 10.00 C ATOM 921 ND1 HIS A 66 9.158 -0.901 -6.668 1.00 10.00 N ATOM 922 CD2 HIS A 66 7.280 -0.375 -7.700 1.00 10.00 C ATOM 923 CE1 HIS A 66 8.863 0.370 -6.403 1.00 10.00 C ATOM 924 NE2 HIS A 66 7.744 0.773 -7.023 1.00 10.00 N ATOM 0 H HIS A 66 8.325 -2.295 -5.443 1.00 10.00 H new ATOM 0 HA HIS A 66 6.774 -4.194 -6.877 1.00 10.00 H new ATOM 0 HB2 HIS A 66 9.070 -3.103 -8.294 1.00 10.00 H new ATOM 0 HB3 HIS A 66 7.357 -2.946 -8.629 1.00 10.00 H new ATOM 0 HD1 HIS A 66 9.979 -1.411 -6.341 1.00 10.00 H new ATOM 0 HD2 HIS A 66 6.387 -0.440 -8.304 1.00 10.00 H new ATOM 0 HE1 HIS A 66 9.457 1.004 -5.762 1.00 10.00 H new ATOM 932 N ILE A 67 8.189 -6.290 -6.978 1.00 10.00 N ATOM 933 CA ILE A 67 8.920 -7.566 -7.027 1.00 10.00 C ATOM 934 C ILE A 67 10.275 -7.467 -7.747 1.00 10.00 C ATOM 935 O ILE A 67 10.337 -7.058 -8.907 1.00 10.00 O ATOM 936 CB ILE A 67 8.038 -8.640 -7.702 1.00 10.00 C ATOM 937 CG1 ILE A 67 6.826 -9.044 -6.844 1.00 10.00 C ATOM 938 CG2 ILE A 67 8.826 -9.898 -8.104 1.00 10.00 C ATOM 939 CD1 ILE A 67 7.149 -9.973 -5.668 1.00 10.00 C ATOM 0 H ILE A 67 7.185 -6.412 -7.112 1.00 10.00 H new ATOM 0 HA ILE A 67 9.140 -7.845 -5.997 1.00 10.00 H new ATOM 0 HB ILE A 67 7.671 -8.162 -8.611 1.00 10.00 H new ATOM 0 HG12 ILE A 67 6.357 -8.140 -6.456 1.00 10.00 H new ATOM 0 HG13 ILE A 67 6.093 -9.534 -7.485 1.00 10.00 H new ATOM 0 HG21 ILE A 67 8.152 -10.615 -8.573 1.00 10.00 H new ATOM 0 HG22 ILE A 67 9.612 -9.625 -8.808 1.00 10.00 H new ATOM 0 HG23 ILE A 67 9.273 -10.346 -7.217 1.00 10.00 H new ATOM 0 HD11 ILE A 67 6.233 -10.202 -5.123 1.00 10.00 H new ATOM 0 HD12 ILE A 67 7.588 -10.897 -6.044 1.00 10.00 H new ATOM 0 HD13 ILE A 67 7.856 -9.481 -4.999 1.00 10.00 H new ATOM 951 N LYS A 68 11.349 -7.895 -7.076 1.00 10.00 N ATOM 952 CA LYS A 68 12.684 -8.029 -7.615 1.00 10.00 C ATOM 953 C LYS A 68 13.459 -9.036 -6.750 1.00 10.00 C ATOM 954 O LYS A 68 13.008 -9.252 -5.602 1.00 10.00 O ATOM 955 CB LYS A 68 13.344 -6.646 -7.625 1.00 10.00 C ATOM 956 CG LYS A 68 14.753 -6.778 -8.196 1.00 10.00 C ATOM 957 CD LYS A 68 15.306 -5.416 -8.624 1.00 10.00 C ATOM 958 CE LYS A 68 16.614 -5.626 -9.394 1.00 10.00 C ATOM 959 NZ LYS A 68 17.117 -4.356 -9.956 1.00 10.00 N ATOM 960 OXT LYS A 68 14.483 -9.557 -7.247 1.00 10.00 O ATOM 0 H LYS A 68 11.296 -8.168 -6.095 1.00 10.00 H new ATOM 0 HA LYS A 68 12.671 -8.404 -8.639 1.00 10.00 H new ATOM 0 HB2 LYS A 68 12.757 -5.952 -8.226 1.00 10.00 H new ATOM 0 HB3 LYS A 68 13.383 -6.239 -6.615 1.00 10.00 H new ATOM 0 HG2 LYS A 68 15.411 -7.222 -7.449 1.00 10.00 H new ATOM 0 HG3 LYS A 68 14.740 -7.453 -9.051 1.00 10.00 H new ATOM 0 HD2 LYS A 68 14.581 -4.895 -9.249 1.00 10.00 H new ATOM 0 HD3 LYS A 68 15.481 -4.789 -7.749 1.00 10.00 H new ATOM 0 HE2 LYS A 68 17.365 -6.054 -8.730 1.00 10.00 H new ATOM 0 HE3 LYS A 68 16.453 -6.344 -10.199 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 18.003 -4.531 -10.471 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 16.410 -3.961 -10.608 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 17.293 -3.681 -9.185 1.00 10.00 H new