USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 545 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 Single : A 8 TYR OH : rot 180:sc= -0.0629 USER MOD Single : A 12 THR OG1 : rot 20:sc= -1.16! USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 93:sc= 1.17 USER MOD Single : A 34 ASN : amide:sc= -5.44! C(o=-5.4!,f=-4.4!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 60:sc= 0.86 USER MOD Single : A 42 ASN : amide:sc= -3.13 K(o=-3.1,f=-1.3) USER MOD Single : A 43 HIS : no HD1:sc= -18.5! C(o=-19!,f=-17!) USER MOD Single : A 44 SER OG : rot 33:sc= 0.225 USER MOD Single : A 48 ASN : amide:sc= -2.49! C(o=-2.5!,f=-3.5!) USER MOD Single : A 54 SER OG : rot 180:sc= -0.471 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.0946 X(o=-0.095,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= -1.25 USER MOD Single : A 64 THR OG1 : rot -102:sc= 0.0485 USER MOD Single : A 65 TYR OH : rot 180:sc= -0.206 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 69 N PRO A 5 8.050 4.091 -1.985 1.00 0.00 N ATOM 70 CA PRO A 5 6.853 4.774 -1.462 1.00 0.00 C ATOM 71 C PRO A 5 6.783 4.625 0.056 1.00 0.00 C ATOM 72 O PRO A 5 7.420 3.773 0.641 1.00 0.00 O ATOM 73 CB PRO A 5 5.699 4.040 -2.127 1.00 0.00 C ATOM 74 CG PRO A 5 6.230 2.677 -2.458 1.00 0.00 C ATOM 75 CD PRO A 5 7.734 2.782 -2.561 1.00 0.00 C ATOM 0 HA PRO A 5 6.845 5.844 -1.669 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.839 3.975 -1.461 1.00 0.00 H new ATOM 0 HB3 PRO A 5 5.368 4.561 -3.025 1.00 0.00 H new ATOM 0 HG2 PRO A 5 5.949 1.959 -1.687 1.00 0.00 H new ATOM 0 HG3 PRO A 5 5.806 2.319 -3.396 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.226 1.978 -2.014 1.00 0.00 H new ATOM 0 HD3 PRO A 5 8.067 2.713 -3.597 1.00 0.00 H new ATOM 83 N ALA A 6 6.009 5.451 0.692 1.00 0.00 N ATOM 84 CA ALA A 6 5.881 5.374 2.172 1.00 0.00 C ATOM 85 C ALA A 6 4.869 4.293 2.560 1.00 0.00 C ATOM 86 O ALA A 6 4.861 3.808 3.673 1.00 0.00 O ATOM 87 CB ALA A 6 5.386 6.754 2.599 1.00 0.00 C ATOM 0 H ALA A 6 5.454 6.183 0.249 1.00 0.00 H new ATOM 0 HA ALA A 6 6.822 5.113 2.656 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.266 6.778 3.682 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.111 7.510 2.297 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.427 6.960 2.123 1.00 0.00 H new ATOM 93 N ILE A 7 4.011 3.918 1.651 1.00 0.00 N ATOM 94 CA ILE A 7 2.995 2.870 1.970 1.00 0.00 C ATOM 95 C ILE A 7 3.683 1.577 2.423 1.00 0.00 C ATOM 96 O ILE A 7 3.225 0.901 3.323 1.00 0.00 O ATOM 97 CB ILE A 7 2.208 2.639 0.667 1.00 0.00 C ATOM 98 CG1 ILE A 7 1.501 1.281 0.718 1.00 0.00 C ATOM 99 CG2 ILE A 7 3.153 2.654 -0.537 1.00 0.00 C ATOM 100 CD1 ILE A 7 0.714 1.155 2.023 1.00 0.00 C ATOM 0 H ILE A 7 3.968 4.290 0.702 1.00 0.00 H new ATOM 0 HA ILE A 7 2.338 3.180 2.783 1.00 0.00 H new ATOM 0 HB ILE A 7 1.474 3.438 0.565 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.829 1.179 -0.134 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.233 0.477 0.645 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.581 2.489 -1.450 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.656 3.619 -0.593 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.896 1.864 -0.426 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.213 0.187 2.054 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.396 1.238 2.869 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.029 1.950 2.078 1.00 0.00 H new ATOM 112 N TYR A 8 4.772 1.226 1.806 1.00 0.00 N ATOM 113 CA TYR A 8 5.479 -0.026 2.199 1.00 0.00 C ATOM 114 C TYR A 8 5.977 0.070 3.641 1.00 0.00 C ATOM 115 O TYR A 8 6.178 -0.928 4.304 1.00 0.00 O ATOM 116 CB TYR A 8 6.640 -0.140 1.210 1.00 0.00 C ATOM 117 CG TYR A 8 6.098 -0.426 -0.177 1.00 0.00 C ATOM 118 CD1 TYR A 8 4.715 -0.566 -0.385 1.00 0.00 C ATOM 119 CD2 TYR A 8 6.978 -0.552 -1.257 1.00 0.00 C ATOM 120 CE1 TYR A 8 4.221 -0.829 -1.664 1.00 0.00 C ATOM 121 CE2 TYR A 8 6.479 -0.815 -2.539 1.00 0.00 C ATOM 122 CZ TYR A 8 5.102 -0.955 -2.743 1.00 0.00 C ATOM 123 OH TYR A 8 4.613 -1.215 -4.007 1.00 0.00 O ATOM 0 H TYR A 8 5.206 1.750 1.046 1.00 0.00 H new ATOM 0 HA TYR A 8 4.833 -0.903 2.164 1.00 0.00 H new ATOM 0 HB2 TYR A 8 7.217 0.785 1.203 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.317 -0.936 1.518 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.033 -0.470 0.447 1.00 0.00 H new ATOM 0 HD2 TYR A 8 8.042 -0.447 -1.102 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.158 -0.935 -1.820 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.159 -0.910 -3.372 1.00 0.00 H new ATOM 0 HH TYR A 8 5.358 -1.271 -4.641 1.00 0.00 H new ATOM 133 N ILE A 9 6.162 1.259 4.140 1.00 0.00 N ATOM 134 CA ILE A 9 6.628 1.401 5.547 1.00 0.00 C ATOM 135 C ILE A 9 5.487 1.039 6.495 1.00 0.00 C ATOM 136 O ILE A 9 4.392 1.557 6.391 1.00 0.00 O ATOM 137 CB ILE A 9 7.018 2.871 5.697 1.00 0.00 C ATOM 138 CG1 ILE A 9 8.245 3.162 4.829 1.00 0.00 C ATOM 139 CG2 ILE A 9 7.349 3.165 7.161 1.00 0.00 C ATOM 140 CD1 ILE A 9 8.803 4.543 5.179 1.00 0.00 C ATOM 0 H ILE A 9 6.012 2.134 3.638 1.00 0.00 H new ATOM 0 HA ILE A 9 7.466 0.745 5.782 1.00 0.00 H new ATOM 0 HB ILE A 9 6.188 3.502 5.379 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.007 2.399 4.990 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.974 3.124 3.774 1.00 0.00 H new ATOM 0 HG21 ILE A 9 7.627 4.214 7.268 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.477 2.956 7.780 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.179 2.535 7.480 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.677 4.750 4.561 1.00 0.00 H new ATOM 0 HD12 ILE A 9 8.041 5.301 4.995 1.00 0.00 H new ATOM 0 HD13 ILE A 9 9.089 4.564 6.230 1.00 0.00 H new ATOM 152 N GLY A 10 5.723 0.138 7.405 1.00 0.00 N ATOM 153 CA GLY A 10 4.640 -0.269 8.337 1.00 0.00 C ATOM 154 C GLY A 10 3.531 -0.922 7.519 1.00 0.00 C ATOM 155 O GLY A 10 2.364 -0.840 7.850 1.00 0.00 O ATOM 0 H GLY A 10 6.617 -0.333 7.543 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.022 -0.965 9.084 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.256 0.597 8.876 1.00 0.00 H new ATOM 159 N ALA A 11 3.891 -1.563 6.438 1.00 0.00 N ATOM 160 CA ALA A 11 2.857 -2.214 5.579 1.00 0.00 C ATOM 161 C ALA A 11 3.086 -3.727 5.508 1.00 0.00 C ATOM 162 O ALA A 11 3.792 -4.297 6.315 1.00 0.00 O ATOM 163 CB ALA A 11 3.037 -1.580 4.199 1.00 0.00 C ATOM 0 H ALA A 11 4.853 -1.664 6.113 1.00 0.00 H new ATOM 0 HA ALA A 11 1.850 -2.070 5.971 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.312 -2.006 3.506 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.882 -0.503 4.270 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.046 -1.778 3.836 1.00 0.00 H new ATOM 169 N THR A 12 2.489 -4.382 4.546 1.00 0.00 N ATOM 170 CA THR A 12 2.672 -5.860 4.428 1.00 0.00 C ATOM 171 C THR A 12 2.444 -6.297 2.981 1.00 0.00 C ATOM 172 O THR A 12 1.327 -6.447 2.546 1.00 0.00 O ATOM 173 CB THR A 12 1.603 -6.464 5.346 1.00 0.00 C ATOM 174 OG1 THR A 12 2.061 -6.430 6.690 1.00 0.00 O ATOM 175 CG2 THR A 12 1.321 -7.913 4.936 1.00 0.00 C ATOM 0 H THR A 12 1.886 -3.960 3.840 1.00 0.00 H new ATOM 0 HA THR A 12 3.676 -6.181 4.706 1.00 0.00 H new ATOM 0 HB THR A 12 0.684 -5.884 5.258 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.777 -5.766 6.775 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.561 -8.336 5.593 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.965 -7.937 3.906 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.237 -8.499 5.017 1.00 0.00 H new ATOM 183 N VAL A 13 3.489 -6.499 2.230 1.00 0.00 N ATOM 184 CA VAL A 13 3.306 -6.921 0.810 1.00 0.00 C ATOM 185 C VAL A 13 3.383 -8.445 0.691 1.00 0.00 C ATOM 186 O VAL A 13 3.589 -9.145 1.663 1.00 0.00 O ATOM 187 CB VAL A 13 4.459 -6.259 0.051 1.00 0.00 C ATOM 188 CG1 VAL A 13 4.597 -4.802 0.498 1.00 0.00 C ATOM 189 CG2 VAL A 13 5.761 -7.005 0.347 1.00 0.00 C ATOM 0 H VAL A 13 4.457 -6.392 2.533 1.00 0.00 H new ATOM 0 HA VAL A 13 2.334 -6.627 0.414 1.00 0.00 H new ATOM 0 HB VAL A 13 4.254 -6.294 -1.019 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.418 -4.332 -0.043 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.671 -4.268 0.288 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.801 -4.767 1.568 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.582 -6.533 -0.194 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.965 -6.971 1.417 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.666 -8.043 0.029 1.00 0.00 H new ATOM 199 N GLY A 14 3.217 -8.964 -0.494 1.00 0.00 N ATOM 200 CA GLY A 14 3.277 -10.443 -0.677 1.00 0.00 C ATOM 201 C GLY A 14 4.720 -10.867 -0.955 1.00 0.00 C ATOM 202 O GLY A 14 5.649 -10.133 -0.680 1.00 0.00 O ATOM 0 H GLY A 14 3.042 -8.428 -1.344 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.905 -10.946 0.216 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.633 -10.744 -1.503 1.00 0.00 H new ATOM 206 N PRO A 15 4.858 -12.049 -1.493 1.00 0.00 N ATOM 207 CA PRO A 15 6.201 -12.590 -1.814 1.00 0.00 C ATOM 208 C PRO A 15 6.787 -11.880 -3.038 1.00 0.00 C ATOM 209 O PRO A 15 7.935 -11.476 -3.044 1.00 0.00 O ATOM 210 CB PRO A 15 5.930 -14.061 -2.115 1.00 0.00 C ATOM 211 CG PRO A 15 4.498 -14.115 -2.542 1.00 0.00 C ATOM 212 CD PRO A 15 3.784 -12.982 -1.848 1.00 0.00 C ATOM 0 HA PRO A 15 6.923 -12.450 -1.010 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.590 -14.430 -2.900 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.103 -14.681 -1.236 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.415 -14.017 -3.624 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.052 -15.073 -2.274 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.049 -12.514 -2.502 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.249 -13.329 -0.964 1.00 0.00 H new ATOM 220 N SER A 16 6.012 -11.726 -4.076 1.00 0.00 N ATOM 221 CA SER A 16 6.528 -11.044 -5.298 1.00 0.00 C ATOM 222 C SER A 16 6.836 -9.576 -4.997 1.00 0.00 C ATOM 223 O SER A 16 7.885 -9.068 -5.339 1.00 0.00 O ATOM 224 CB SER A 16 5.397 -11.156 -6.320 1.00 0.00 C ATOM 225 OG SER A 16 5.735 -12.140 -7.289 1.00 0.00 O ATOM 0 H SER A 16 5.044 -12.043 -4.132 1.00 0.00 H new ATOM 0 HA SER A 16 7.453 -11.492 -5.661 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.466 -11.425 -5.821 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.232 -10.194 -6.804 1.00 0.00 H new ATOM 0 HG SER A 16 5.011 -12.215 -7.945 1.00 0.00 H new ATOM 231 N VAL A 17 5.927 -8.887 -4.361 1.00 0.00 N ATOM 232 CA VAL A 17 6.170 -7.452 -4.040 1.00 0.00 C ATOM 233 C VAL A 17 7.427 -7.308 -3.180 1.00 0.00 C ATOM 234 O VAL A 17 8.266 -6.467 -3.428 1.00 0.00 O ATOM 235 CB VAL A 17 4.934 -7.005 -3.261 1.00 0.00 C ATOM 236 CG1 VAL A 17 4.951 -5.483 -3.105 1.00 0.00 C ATOM 237 CG2 VAL A 17 3.673 -7.424 -4.019 1.00 0.00 C ATOM 0 H VAL A 17 5.028 -9.256 -4.050 1.00 0.00 H new ATOM 0 HA VAL A 17 6.327 -6.850 -4.935 1.00 0.00 H new ATOM 0 HB VAL A 17 4.939 -7.472 -2.276 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.069 -5.164 -2.549 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.849 -5.183 -2.565 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.947 -5.016 -4.090 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.791 -7.105 -3.463 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.669 -6.958 -5.004 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.659 -8.508 -4.131 1.00 0.00 H new ATOM 247 N TRP A 18 7.563 -8.123 -2.171 1.00 0.00 N ATOM 248 CA TRP A 18 8.767 -8.031 -1.295 1.00 0.00 C ATOM 249 C TRP A 18 10.044 -8.081 -2.138 1.00 0.00 C ATOM 250 O TRP A 18 10.881 -7.203 -2.067 1.00 0.00 O ATOM 251 CB TRP A 18 8.681 -9.252 -0.378 1.00 0.00 C ATOM 252 CG TRP A 18 9.591 -9.064 0.793 1.00 0.00 C ATOM 253 CD1 TRP A 18 9.833 -7.883 1.404 1.00 0.00 C ATOM 254 CD2 TRP A 18 10.380 -10.063 1.503 1.00 0.00 C ATOM 255 NE1 TRP A 18 10.721 -8.092 2.446 1.00 0.00 N ATOM 256 CE2 TRP A 18 11.088 -9.419 2.547 1.00 0.00 C ATOM 257 CE3 TRP A 18 10.550 -11.450 1.345 1.00 0.00 C ATOM 258 CZ2 TRP A 18 11.933 -10.125 3.402 1.00 0.00 C ATOM 259 CZ3 TRP A 18 11.401 -12.165 2.205 1.00 0.00 C ATOM 260 CH2 TRP A 18 12.090 -11.504 3.232 1.00 0.00 C ATOM 0 H TRP A 18 6.894 -8.849 -1.914 1.00 0.00 H new ATOM 0 HA TRP A 18 8.798 -7.098 -0.732 1.00 0.00 H new ATOM 0 HB2 TRP A 18 7.655 -9.391 -0.036 1.00 0.00 H new ATOM 0 HB3 TRP A 18 8.959 -10.152 -0.927 1.00 0.00 H new ATOM 0 HD1 TRP A 18 9.404 -6.932 1.125 1.00 0.00 H new ATOM 0 HE1 TRP A 18 11.062 -7.355 3.063 1.00 0.00 H new ATOM 0 HE3 TRP A 18 10.023 -11.969 0.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 12.463 -9.610 4.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 11.525 -13.230 2.074 1.00 0.00 H new ATOM 0 HH2 TRP A 18 12.741 -12.059 3.891 1.00 0.00 H new ATOM 271 N ALA A 19 10.201 -9.105 -2.933 1.00 0.00 N ATOM 272 CA ALA A 19 11.426 -9.215 -3.778 1.00 0.00 C ATOM 273 C ALA A 19 11.621 -7.946 -4.612 1.00 0.00 C ATOM 274 O ALA A 19 12.731 -7.522 -4.864 1.00 0.00 O ATOM 275 CB ALA A 19 11.172 -10.420 -4.684 1.00 0.00 C ATOM 0 H ALA A 19 9.534 -9.870 -3.034 1.00 0.00 H new ATOM 0 HA ALA A 19 12.328 -9.335 -3.179 1.00 0.00 H new ATOM 0 HB1 ALA A 19 12.030 -10.570 -5.340 1.00 0.00 H new ATOM 0 HB2 ALA A 19 11.023 -11.310 -4.073 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.282 -10.241 -5.287 1.00 0.00 H new ATOM 281 N TYR A 20 10.552 -7.338 -5.042 1.00 0.00 N ATOM 282 CA TYR A 20 10.677 -6.097 -5.861 1.00 0.00 C ATOM 283 C TYR A 20 11.271 -4.964 -5.021 1.00 0.00 C ATOM 284 O TYR A 20 12.305 -4.415 -5.343 1.00 0.00 O ATOM 285 CB TYR A 20 9.247 -5.754 -6.278 1.00 0.00 C ATOM 286 CG TYR A 20 9.271 -4.653 -7.312 1.00 0.00 C ATOM 287 CD1 TYR A 20 9.581 -4.948 -8.644 1.00 0.00 C ATOM 288 CD2 TYR A 20 8.978 -3.336 -6.937 1.00 0.00 C ATOM 289 CE1 TYR A 20 9.601 -3.927 -9.601 1.00 0.00 C ATOM 290 CE2 TYR A 20 8.999 -2.315 -7.894 1.00 0.00 C ATOM 291 CZ TYR A 20 9.310 -2.610 -9.227 1.00 0.00 C ATOM 292 OH TYR A 20 9.328 -1.603 -10.170 1.00 0.00 O ATOM 0 H TYR A 20 9.596 -7.645 -4.863 1.00 0.00 H new ATOM 0 HA TYR A 20 11.334 -6.235 -6.720 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.754 -6.637 -6.684 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.670 -5.438 -5.409 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.805 -5.964 -8.934 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.736 -3.108 -5.909 1.00 0.00 H new ATOM 0 HE1 TYR A 20 9.841 -4.156 -10.629 1.00 0.00 H new ATOM 0 HE2 TYR A 20 8.775 -1.299 -7.604 1.00 0.00 H new ATOM 0 HH TYR A 20 9.102 -0.751 -9.743 1.00 0.00 H new ATOM 302 N LEU A 21 10.621 -4.613 -3.948 1.00 0.00 N ATOM 303 CA LEU A 21 11.138 -3.517 -3.082 1.00 0.00 C ATOM 304 C LEU A 21 12.601 -3.776 -2.711 1.00 0.00 C ATOM 305 O LEU A 21 13.396 -2.862 -2.615 1.00 0.00 O ATOM 306 CB LEU A 21 10.250 -3.557 -1.839 1.00 0.00 C ATOM 307 CG LEU A 21 10.199 -2.170 -1.199 1.00 0.00 C ATOM 308 CD1 LEU A 21 9.361 -2.229 0.080 1.00 0.00 C ATOM 309 CD2 LEU A 21 11.620 -1.714 -0.857 1.00 0.00 C ATOM 0 H LEU A 21 9.750 -5.040 -3.632 1.00 0.00 H new ATOM 0 HA LEU A 21 11.110 -2.546 -3.577 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.245 -3.881 -2.108 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.639 -4.284 -1.125 1.00 0.00 H new ATOM 0 HG LEU A 21 9.748 -1.464 -1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.324 -1.240 0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.349 -2.554 -0.163 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.812 -2.935 0.778 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.585 -0.725 -0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.071 -2.420 -0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 21 12.218 -1.672 -1.768 1.00 0.00 H new ATOM 321 N VAL A 22 12.963 -5.013 -2.502 1.00 0.00 N ATOM 322 CA VAL A 22 14.376 -5.321 -2.139 1.00 0.00 C ATOM 323 C VAL A 22 15.312 -4.913 -3.277 1.00 0.00 C ATOM 324 O VAL A 22 16.310 -4.252 -3.070 1.00 0.00 O ATOM 325 CB VAL A 22 14.412 -6.835 -1.930 1.00 0.00 C ATOM 326 CG1 VAL A 22 15.866 -7.305 -1.844 1.00 0.00 C ATOM 327 CG2 VAL A 22 13.686 -7.186 -0.629 1.00 0.00 C ATOM 0 H VAL A 22 12.344 -5.821 -2.567 1.00 0.00 H new ATOM 0 HA VAL A 22 14.702 -4.781 -1.250 1.00 0.00 H new ATOM 0 HB VAL A 22 13.920 -7.329 -2.768 1.00 0.00 H new ATOM 0 HG11 VAL A 22 15.891 -8.384 -1.695 1.00 0.00 H new ATOM 0 HG12 VAL A 22 16.385 -7.054 -2.769 1.00 0.00 H new ATOM 0 HG13 VAL A 22 16.359 -6.812 -1.006 1.00 0.00 H new ATOM 0 HG21 VAL A 22 13.711 -8.265 -0.478 1.00 0.00 H new ATOM 0 HG22 VAL A 22 14.179 -6.691 0.208 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.650 -6.852 -0.689 1.00 0.00 H new ATOM 337 N ALA A 23 14.994 -5.300 -4.477 1.00 0.00 N ATOM 338 CA ALA A 23 15.860 -4.932 -5.633 1.00 0.00 C ATOM 339 C ALA A 23 16.012 -3.411 -5.709 1.00 0.00 C ATOM 340 O ALA A 23 17.049 -2.898 -6.082 1.00 0.00 O ATOM 341 CB ALA A 23 15.122 -5.460 -6.864 1.00 0.00 C ATOM 0 H ALA A 23 14.171 -5.856 -4.710 1.00 0.00 H new ATOM 0 HA ALA A 23 16.863 -5.350 -5.551 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.697 -5.228 -7.760 1.00 0.00 H new ATOM 0 HB2 ALA A 23 15.001 -6.540 -6.780 1.00 0.00 H new ATOM 0 HB3 ALA A 23 14.141 -4.989 -6.930 1.00 0.00 H new ATOM 347 N LEU A 24 14.984 -2.688 -5.359 1.00 0.00 N ATOM 348 CA LEU A 24 15.061 -1.203 -5.411 1.00 0.00 C ATOM 349 C LEU A 24 16.008 -0.680 -4.327 1.00 0.00 C ATOM 350 O LEU A 24 16.758 0.252 -4.542 1.00 0.00 O ATOM 351 CB LEU A 24 13.632 -0.730 -5.152 1.00 0.00 C ATOM 352 CG LEU A 24 13.369 0.559 -5.932 1.00 0.00 C ATOM 353 CD1 LEU A 24 13.316 0.246 -7.428 1.00 0.00 C ATOM 354 CD2 LEU A 24 12.033 1.158 -5.490 1.00 0.00 C ATOM 0 H LEU A 24 14.092 -3.064 -5.038 1.00 0.00 H new ATOM 0 HA LEU A 24 15.446 -0.841 -6.364 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.923 -1.501 -5.454 1.00 0.00 H new ATOM 0 HB3 LEU A 24 13.482 -0.559 -4.086 1.00 0.00 H new ATOM 0 HG LEU A 24 14.170 1.272 -5.737 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.129 1.164 -7.985 1.00 0.00 H new ATOM 0 HD12 LEU A 24 14.267 -0.183 -7.744 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.514 -0.467 -7.622 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.845 2.077 -6.045 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.232 0.445 -5.686 1.00 0.00 H new ATOM 0 HD23 LEU A 24 12.069 1.380 -4.423 1.00 0.00 H new ATOM 366 N VAL A 25 15.979 -1.269 -3.163 1.00 0.00 N ATOM 367 CA VAL A 25 16.878 -0.802 -2.067 1.00 0.00 C ATOM 368 C VAL A 25 17.656 -1.984 -1.472 1.00 0.00 C ATOM 369 O VAL A 25 18.865 -1.947 -1.358 1.00 0.00 O ATOM 370 CB VAL A 25 15.955 -0.158 -1.013 1.00 0.00 C ATOM 371 CG1 VAL A 25 14.624 -0.913 -0.922 1.00 0.00 C ATOM 372 CG2 VAL A 25 16.635 -0.188 0.356 1.00 0.00 C ATOM 0 H VAL A 25 15.372 -2.053 -2.922 1.00 0.00 H new ATOM 0 HA VAL A 25 17.621 -0.090 -2.427 1.00 0.00 H new ATOM 0 HB VAL A 25 15.761 0.872 -1.313 1.00 0.00 H new ATOM 0 HG11 VAL A 25 13.989 -0.441 -0.172 1.00 0.00 H new ATOM 0 HG12 VAL A 25 14.124 -0.887 -1.890 1.00 0.00 H new ATOM 0 HG13 VAL A 25 14.812 -1.949 -0.639 1.00 0.00 H new ATOM 0 HG21 VAL A 25 15.979 0.268 1.098 1.00 0.00 H new ATOM 0 HG22 VAL A 25 16.839 -1.221 0.638 1.00 0.00 H new ATOM 0 HG23 VAL A 25 17.572 0.367 0.309 1.00 0.00 H new ATOM 382 N GLY A 26 16.975 -3.027 -1.086 1.00 0.00 N ATOM 383 CA GLY A 26 17.681 -4.198 -0.493 1.00 0.00 C ATOM 384 C GLY A 26 16.931 -4.667 0.756 1.00 0.00 C ATOM 385 O GLY A 26 16.098 -3.963 1.293 1.00 0.00 O ATOM 0 H GLY A 26 15.962 -3.120 -1.155 1.00 0.00 H new ATOM 0 HA2 GLY A 26 17.739 -5.008 -1.221 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.705 -3.927 -0.235 1.00 0.00 H new ATOM 389 N ALA A 27 17.216 -5.853 1.217 1.00 0.00 N ATOM 390 CA ALA A 27 16.517 -6.373 2.425 1.00 0.00 C ATOM 391 C ALA A 27 16.868 -5.539 3.660 1.00 0.00 C ATOM 392 O ALA A 27 16.292 -5.710 4.716 1.00 0.00 O ATOM 393 CB ALA A 27 17.022 -7.807 2.587 1.00 0.00 C ATOM 0 H ALA A 27 17.904 -6.486 0.808 1.00 0.00 H new ATOM 0 HA ALA A 27 15.433 -6.327 2.318 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.552 -8.262 3.459 1.00 0.00 H new ATOM 0 HB2 ALA A 27 16.771 -8.384 1.697 1.00 0.00 H new ATOM 0 HB3 ALA A 27 18.104 -7.799 2.720 1.00 0.00 H new ATOM 399 N ALA A 28 17.806 -4.638 3.545 1.00 0.00 N ATOM 400 CA ALA A 28 18.177 -3.807 4.719 1.00 0.00 C ATOM 401 C ALA A 28 17.116 -2.735 4.950 1.00 0.00 C ATOM 402 O ALA A 28 16.398 -2.763 5.928 1.00 0.00 O ATOM 403 CB ALA A 28 19.521 -3.174 4.358 1.00 0.00 C ATOM 0 H ALA A 28 18.328 -4.444 2.691 1.00 0.00 H new ATOM 0 HA ALA A 28 18.246 -4.391 5.637 1.00 0.00 H new ATOM 0 HB1 ALA A 28 19.859 -2.544 5.181 1.00 0.00 H new ATOM 0 HB2 ALA A 28 20.256 -3.959 4.176 1.00 0.00 H new ATOM 0 HB3 ALA A 28 19.408 -2.568 3.459 1.00 0.00 H new ATOM 409 N ALA A 29 16.997 -1.800 4.052 1.00 0.00 N ATOM 410 CA ALA A 29 15.961 -0.746 4.228 1.00 0.00 C ATOM 411 C ALA A 29 14.581 -1.395 4.163 1.00 0.00 C ATOM 412 O ALA A 29 13.598 -0.843 4.618 1.00 0.00 O ATOM 413 CB ALA A 29 16.157 0.221 3.062 1.00 0.00 C ATOM 0 H ALA A 29 17.567 -1.719 3.210 1.00 0.00 H new ATOM 0 HA ALA A 29 16.043 -0.229 5.184 1.00 0.00 H new ATOM 0 HB1 ALA A 29 15.424 1.025 3.129 1.00 0.00 H new ATOM 0 HB2 ALA A 29 17.162 0.641 3.103 1.00 0.00 H new ATOM 0 HB3 ALA A 29 16.025 -0.312 2.121 1.00 0.00 H new ATOM 419 N VAL A 30 14.506 -2.573 3.605 1.00 0.00 N ATOM 420 CA VAL A 30 13.196 -3.271 3.514 1.00 0.00 C ATOM 421 C VAL A 30 12.810 -3.831 4.886 1.00 0.00 C ATOM 422 O VAL A 30 11.649 -3.900 5.234 1.00 0.00 O ATOM 423 CB VAL A 30 13.416 -4.404 2.510 1.00 0.00 C ATOM 424 CG1 VAL A 30 12.302 -5.444 2.655 1.00 0.00 C ATOM 425 CG2 VAL A 30 13.394 -3.838 1.090 1.00 0.00 C ATOM 0 H VAL A 30 15.297 -3.081 3.209 1.00 0.00 H new ATOM 0 HA VAL A 30 12.391 -2.607 3.200 1.00 0.00 H new ATOM 0 HB VAL A 30 14.380 -4.874 2.704 1.00 0.00 H new ATOM 0 HG11 VAL A 30 12.461 -6.250 1.939 1.00 0.00 H new ATOM 0 HG12 VAL A 30 12.313 -5.850 3.666 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.338 -4.973 2.463 1.00 0.00 H new ATOM 0 HG21 VAL A 30 13.551 -4.645 0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 30 12.429 -3.367 0.901 1.00 0.00 H new ATOM 0 HG23 VAL A 30 14.186 -3.097 0.981 1.00 0.00 H new ATOM 435 N THR A 31 13.778 -4.232 5.669 1.00 0.00 N ATOM 436 CA THR A 31 13.460 -4.784 7.017 1.00 0.00 C ATOM 437 C THR A 31 13.373 -3.650 8.041 1.00 0.00 C ATOM 438 O THR A 31 12.684 -3.750 9.037 1.00 0.00 O ATOM 439 CB THR A 31 14.624 -5.720 7.348 1.00 0.00 C ATOM 440 OG1 THR A 31 14.582 -6.848 6.486 1.00 0.00 O ATOM 441 CG2 THR A 31 14.512 -6.182 8.802 1.00 0.00 C ATOM 0 H THR A 31 14.770 -4.201 5.434 1.00 0.00 H new ATOM 0 HA THR A 31 12.503 -5.305 7.036 1.00 0.00 H new ATOM 0 HB THR A 31 15.567 -5.191 7.209 1.00 0.00 H new ATOM 0 HG1 THR A 31 15.143 -6.680 5.700 1.00 0.00 H new ATOM 0 HG21 THR A 31 15.342 -6.849 9.037 1.00 0.00 H new ATOM 0 HG22 THR A 31 14.545 -5.316 9.463 1.00 0.00 H new ATOM 0 HG23 THR A 31 13.570 -6.711 8.944 1.00 0.00 H new ATOM 449 N ALA A 32 14.066 -2.571 7.801 1.00 0.00 N ATOM 450 CA ALA A 32 14.022 -1.428 8.755 1.00 0.00 C ATOM 451 C ALA A 32 12.788 -0.565 8.480 1.00 0.00 C ATOM 452 O ALA A 32 12.346 0.191 9.322 1.00 0.00 O ATOM 453 CB ALA A 32 15.303 -0.637 8.486 1.00 0.00 C ATOM 0 H ALA A 32 14.661 -2.432 6.985 1.00 0.00 H new ATOM 0 HA ALA A 32 13.958 -1.755 9.793 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.345 0.225 9.152 1.00 0.00 H new ATOM 0 HB2 ALA A 32 16.169 -1.275 8.663 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.309 -0.296 7.451 1.00 0.00 H new ATOM 459 N ALA A 33 12.230 -0.675 7.306 1.00 0.00 N ATOM 460 CA ALA A 33 11.024 0.136 6.975 1.00 0.00 C ATOM 461 C ALA A 33 9.761 -0.567 7.479 1.00 0.00 C ATOM 462 O ALA A 33 8.657 -0.167 7.178 1.00 0.00 O ATOM 463 CB ALA A 33 11.014 0.229 5.449 1.00 0.00 C ATOM 0 H ALA A 33 12.557 -1.291 6.562 1.00 0.00 H new ATOM 0 HA ALA A 33 11.047 1.121 7.442 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.152 0.813 5.126 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.929 0.713 5.108 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.953 -0.773 5.024 1.00 0.00 H new ATOM 469 N ASN A 34 9.919 -1.610 8.247 1.00 0.00 N ATOM 470 CA ASN A 34 8.730 -2.341 8.777 1.00 0.00 C ATOM 471 C ASN A 34 7.859 -2.863 7.626 1.00 0.00 C ATOM 472 O ASN A 34 6.780 -2.361 7.365 1.00 0.00 O ATOM 473 CB ASN A 34 7.972 -1.310 9.615 1.00 0.00 C ATOM 474 CG ASN A 34 6.756 -1.964 10.282 1.00 0.00 C ATOM 475 OD1 ASN A 34 5.966 -1.291 10.913 1.00 0.00 O ATOM 476 ND2 ASN A 34 6.567 -3.253 10.175 1.00 0.00 N ATOM 0 H ASN A 34 10.822 -1.989 8.532 1.00 0.00 H new ATOM 0 HA ASN A 34 9.012 -3.213 9.367 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.632 -0.891 10.375 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.649 -0.483 8.983 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.759 -3.689 10.620 1.00 0.00 H new ATOM 0 HD22 ASN A 34 7.227 -3.823 9.646 1.00 0.00 H new ATOM 483 N ILE A 35 8.321 -3.875 6.942 1.00 0.00 N ATOM 484 CA ILE A 35 7.528 -4.445 5.815 1.00 0.00 C ATOM 485 C ILE A 35 7.321 -5.946 6.037 1.00 0.00 C ATOM 486 O ILE A 35 8.260 -6.717 6.031 1.00 0.00 O ATOM 487 CB ILE A 35 8.376 -4.200 4.568 1.00 0.00 C ATOM 488 CG1 ILE A 35 8.347 -2.711 4.215 1.00 0.00 C ATOM 489 CG2 ILE A 35 7.812 -5.010 3.399 1.00 0.00 C ATOM 490 CD1 ILE A 35 9.581 -2.359 3.385 1.00 0.00 C ATOM 0 H ILE A 35 9.216 -4.333 7.116 1.00 0.00 H new ATOM 0 HA ILE A 35 6.541 -3.991 5.727 1.00 0.00 H new ATOM 0 HB ILE A 35 9.403 -4.508 4.763 1.00 0.00 H new ATOM 0 HG12 ILE A 35 7.441 -2.477 3.656 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.325 -2.111 5.125 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.417 -4.835 2.510 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.832 -6.071 3.648 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.785 -4.702 3.205 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.560 -1.299 3.134 1.00 0.00 H new ATOM 0 HD12 ILE A 35 10.481 -2.578 3.960 1.00 0.00 H new ATOM 0 HD13 ILE A 35 9.583 -2.949 2.469 1.00 0.00 H new ATOM 502 N ARG A 36 6.103 -6.367 6.239 1.00 0.00 N ATOM 503 CA ARG A 36 5.849 -7.819 6.468 1.00 0.00 C ATOM 504 C ARG A 36 5.381 -8.494 5.177 1.00 0.00 C ATOM 505 O ARG A 36 4.788 -7.872 4.316 1.00 0.00 O ATOM 506 CB ARG A 36 4.748 -7.868 7.527 1.00 0.00 C ATOM 507 CG ARG A 36 5.152 -7.010 8.727 1.00 0.00 C ATOM 508 CD ARG A 36 4.331 -7.423 9.950 1.00 0.00 C ATOM 509 NE ARG A 36 5.179 -7.066 11.121 1.00 0.00 N ATOM 510 CZ ARG A 36 6.046 -7.925 11.585 1.00 0.00 C ATOM 511 NH1 ARG A 36 7.241 -7.994 11.065 1.00 0.00 N ATOM 512 NH2 ARG A 36 5.717 -8.716 12.570 1.00 0.00 N ATOM 0 H ARG A 36 5.275 -5.772 6.256 1.00 0.00 H new ATOM 0 HA ARG A 36 6.749 -8.345 6.788 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.810 -7.506 7.107 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.579 -8.897 7.843 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.216 -7.131 8.932 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.988 -5.955 8.505 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.376 -6.899 9.980 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.109 -8.490 9.934 1.00 0.00 H new ATOM 0 HE ARG A 36 5.083 -6.151 11.560 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.499 -7.376 10.295 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.917 -8.665 11.428 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.783 -8.663 12.977 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.394 -9.387 12.933 1.00 0.00 H new ATOM 526 N ARG A 37 5.645 -9.765 5.037 1.00 0.00 N ATOM 527 CA ARG A 37 5.218 -10.488 3.806 1.00 0.00 C ATOM 528 C ARG A 37 3.855 -11.150 4.030 1.00 0.00 C ATOM 529 O ARG A 37 3.441 -11.375 5.149 1.00 0.00 O ATOM 530 CB ARG A 37 6.296 -11.548 3.578 1.00 0.00 C ATOM 531 CG ARG A 37 7.222 -11.099 2.448 1.00 0.00 C ATOM 532 CD ARG A 37 7.635 -12.315 1.614 1.00 0.00 C ATOM 533 NE ARG A 37 8.540 -13.098 2.499 1.00 0.00 N ATOM 534 CZ ARG A 37 8.391 -14.390 2.606 1.00 0.00 C ATOM 535 NH1 ARG A 37 7.393 -14.876 3.293 1.00 0.00 N ATOM 536 NH2 ARG A 37 9.237 -15.195 2.025 1.00 0.00 N ATOM 0 H ARG A 37 6.139 -10.335 5.724 1.00 0.00 H new ATOM 0 HA ARG A 37 5.112 -9.822 2.950 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.869 -11.702 4.492 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.835 -12.503 3.327 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.716 -10.367 1.818 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.105 -10.610 2.859 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.767 -12.903 1.317 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.143 -12.012 0.698 1.00 0.00 H new ATOM 0 HE ARG A 37 9.277 -12.625 3.022 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.731 -14.246 3.745 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.276 -15.886 3.377 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.015 -14.815 1.487 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.120 -16.205 2.109 1.00 0.00 H new ATOM 550 N ALA A 38 3.158 -11.465 2.973 1.00 0.00 N ATOM 551 CA ALA A 38 1.824 -12.114 3.127 1.00 0.00 C ATOM 552 C ALA A 38 1.694 -13.294 2.161 1.00 0.00 C ATOM 553 O ALA A 38 2.455 -13.429 1.223 1.00 0.00 O ATOM 554 CB ALA A 38 0.811 -11.023 2.781 1.00 0.00 C ATOM 0 H ALA A 38 3.453 -11.302 2.010 1.00 0.00 H new ATOM 0 HA ALA A 38 1.671 -12.509 4.131 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.199 -11.423 2.871 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.932 -10.184 3.466 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.977 -10.683 1.759 1.00 0.00 H new ATOM 560 N SER A 39 0.737 -14.152 2.385 1.00 0.00 N ATOM 561 CA SER A 39 0.558 -15.325 1.481 1.00 0.00 C ATOM 562 C SER A 39 0.654 -14.887 0.017 1.00 0.00 C ATOM 563 O SER A 39 0.987 -15.667 -0.853 1.00 0.00 O ATOM 564 CB SER A 39 -0.841 -15.854 1.791 1.00 0.00 C ATOM 565 OG SER A 39 -0.740 -17.181 2.291 1.00 0.00 O ATOM 0 H SER A 39 0.071 -14.092 3.155 1.00 0.00 H new ATOM 0 HA SER A 39 1.325 -16.084 1.635 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.331 -15.213 2.524 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.456 -15.838 0.891 1.00 0.00 H new ATOM 0 HG SER A 39 -1.636 -17.524 2.493 1.00 0.00 H new ATOM 571 N SER A 40 0.362 -13.646 -0.262 1.00 0.00 N ATOM 572 CA SER A 40 0.435 -13.164 -1.671 1.00 0.00 C ATOM 573 C SER A 40 0.061 -11.681 -1.745 1.00 0.00 C ATOM 574 O SER A 40 0.086 -10.973 -0.758 1.00 0.00 O ATOM 575 CB SER A 40 -0.583 -14.013 -2.431 1.00 0.00 C ATOM 576 OG SER A 40 0.105 -14.943 -3.256 1.00 0.00 O ATOM 0 H SER A 40 0.077 -12.946 0.423 1.00 0.00 H new ATOM 0 HA SER A 40 1.438 -13.258 -2.088 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.230 -14.540 -1.730 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.225 -13.375 -3.039 1.00 0.00 H new ATOM 0 HG SER A 40 0.661 -15.526 -2.698 1.00 0.00 H new ATOM 582 N ASP A 41 -0.283 -11.208 -2.911 1.00 0.00 N ATOM 583 CA ASP A 41 -0.657 -9.772 -3.054 1.00 0.00 C ATOM 584 C ASP A 41 -1.950 -9.480 -2.286 1.00 0.00 C ATOM 585 O ASP A 41 -2.335 -8.342 -2.112 1.00 0.00 O ATOM 586 CB ASP A 41 -0.870 -9.567 -4.555 1.00 0.00 C ATOM 587 CG ASP A 41 0.485 -9.552 -5.266 1.00 0.00 C ATOM 588 OD1 ASP A 41 1.413 -8.982 -4.717 1.00 0.00 O ATOM 589 OD2 ASP A 41 0.570 -10.110 -6.348 1.00 0.00 O ATOM 0 H ASP A 41 -0.321 -11.754 -3.772 1.00 0.00 H new ATOM 0 HA ASP A 41 0.107 -9.106 -2.653 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.494 -10.365 -4.957 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.397 -8.630 -4.734 1.00 0.00 H new ATOM 594 N ASN A 42 -2.623 -10.500 -1.827 1.00 0.00 N ATOM 595 CA ASN A 42 -3.891 -10.278 -1.072 1.00 0.00 C ATOM 596 C ASN A 42 -3.631 -10.342 0.437 1.00 0.00 C ATOM 597 O ASN A 42 -3.530 -11.407 1.013 1.00 0.00 O ATOM 598 CB ASN A 42 -4.812 -11.419 -1.506 1.00 0.00 C ATOM 599 CG ASN A 42 -6.268 -11.031 -1.241 1.00 0.00 C ATOM 600 OD1 ASN A 42 -7.073 -10.986 -2.150 1.00 0.00 O ATOM 601 ND2 ASN A 42 -6.644 -10.749 -0.023 1.00 0.00 N ATOM 0 H ASN A 42 -2.351 -11.476 -1.941 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.327 -9.300 -1.276 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.669 -11.633 -2.565 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.562 -12.329 -0.961 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.613 -10.491 0.165 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.969 -10.787 0.741 1.00 0.00 H new ATOM 608 N HIS A 43 -3.523 -9.211 1.082 1.00 0.00 N ATOM 609 CA HIS A 43 -3.272 -9.211 2.553 1.00 0.00 C ATOM 610 C HIS A 43 -4.029 -8.065 3.224 1.00 0.00 C ATOM 611 O HIS A 43 -4.639 -7.241 2.571 1.00 0.00 O ATOM 612 CB HIS A 43 -1.762 -9.009 2.720 1.00 0.00 C ATOM 613 CG HIS A 43 -1.235 -8.062 1.672 1.00 0.00 C ATOM 614 ND1 HIS A 43 -0.983 -6.721 1.935 1.00 0.00 N ATOM 615 CD2 HIS A 43 -0.883 -8.257 0.361 1.00 0.00 C ATOM 616 CE1 HIS A 43 -0.495 -6.170 0.804 1.00 0.00 C ATOM 617 NE2 HIS A 43 -0.418 -7.065 -0.185 1.00 0.00 N ATOM 0 H HIS A 43 -3.598 -8.288 0.654 1.00 0.00 H new ATOM 0 HA HIS A 43 -3.611 -10.139 3.014 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.550 -8.615 3.714 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.250 -9.968 2.642 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.956 -9.196 -0.168 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.203 -5.134 0.710 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -0.088 -6.908 -1.137 1.00 0.00 H new ATOM 625 N SER A 44 -3.982 -8.002 4.527 1.00 0.00 N ATOM 626 CA SER A 44 -4.685 -6.903 5.244 1.00 0.00 C ATOM 627 C SER A 44 -3.830 -5.638 5.197 1.00 0.00 C ATOM 628 O SER A 44 -2.677 -5.644 5.579 1.00 0.00 O ATOM 629 CB SER A 44 -4.836 -7.395 6.683 1.00 0.00 C ATOM 630 OG SER A 44 -3.616 -7.992 7.104 1.00 0.00 O ATOM 0 H SER A 44 -3.487 -8.664 5.125 1.00 0.00 H new ATOM 0 HA SER A 44 -5.651 -6.663 4.800 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.093 -6.563 7.339 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.650 -8.117 6.750 1.00 0.00 H new ATOM 0 HG SER A 44 -2.863 -7.530 6.680 1.00 0.00 H new ATOM 636 N CYS A 45 -4.377 -4.553 4.730 1.00 0.00 N ATOM 637 CA CYS A 45 -3.577 -3.297 4.662 1.00 0.00 C ATOM 638 C CYS A 45 -4.213 -2.206 5.522 1.00 0.00 C ATOM 639 O CYS A 45 -5.257 -2.391 6.124 1.00 0.00 O ATOM 640 CB CYS A 45 -3.574 -2.889 3.188 1.00 0.00 C ATOM 641 SG CYS A 45 -5.256 -2.978 2.524 1.00 0.00 S ATOM 0 H CYS A 45 -5.337 -4.479 4.394 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.565 -3.444 5.040 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.184 -1.876 3.082 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.914 -3.545 2.621 1.00 0.00 H new ATOM 646 N ALA A 46 -3.581 -1.070 5.590 1.00 0.00 N ATOM 647 CA ALA A 46 -4.131 0.039 6.419 1.00 0.00 C ATOM 648 C ALA A 46 -4.511 -0.497 7.800 1.00 0.00 C ATOM 649 O ALA A 46 -5.564 -0.194 8.327 1.00 0.00 O ATOM 650 CB ALA A 46 -5.370 0.524 5.668 1.00 0.00 C ATOM 0 H ALA A 46 -2.707 -0.860 5.108 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.414 0.846 6.570 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.832 1.343 6.219 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.081 0.871 4.676 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.082 -0.296 5.573 1.00 0.00 H new ATOM 656 N GLY A 47 -3.666 -1.302 8.385 1.00 0.00 N ATOM 657 CA GLY A 47 -3.982 -1.870 9.725 1.00 0.00 C ATOM 658 C GLY A 47 -5.193 -2.792 9.600 1.00 0.00 C ATOM 659 O GLY A 47 -5.443 -3.362 8.555 1.00 0.00 O ATOM 0 H GLY A 47 -2.770 -1.591 7.992 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.126 -2.423 10.111 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.190 -1.069 10.434 1.00 0.00 H new ATOM 663 N ASN A 48 -5.954 -2.943 10.647 1.00 0.00 N ATOM 664 CA ASN A 48 -7.150 -3.823 10.572 1.00 0.00 C ATOM 665 C ASN A 48 -8.350 -3.031 10.050 1.00 0.00 C ATOM 666 O ASN A 48 -9.470 -3.231 10.477 1.00 0.00 O ATOM 667 CB ASN A 48 -7.395 -4.290 12.008 1.00 0.00 C ATOM 668 CG ASN A 48 -7.724 -3.085 12.891 1.00 0.00 C ATOM 669 OD1 ASN A 48 -8.610 -2.315 12.581 1.00 0.00 O ATOM 670 ND2 ASN A 48 -7.043 -2.890 13.987 1.00 0.00 N ATOM 0 H ASN A 48 -5.799 -2.495 11.550 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.003 -4.664 9.894 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -8.216 -5.007 12.033 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -6.512 -4.803 12.390 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -7.255 -2.090 14.584 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.299 -3.537 14.247 1.00 0.00 H new ATOM 677 N ARG A 49 -8.125 -2.123 9.137 1.00 0.00 N ATOM 678 CA ARG A 49 -9.248 -1.312 8.600 1.00 0.00 C ATOM 679 C ARG A 49 -9.421 -1.548 7.096 1.00 0.00 C ATOM 680 O ARG A 49 -10.514 -1.467 6.572 1.00 0.00 O ATOM 681 CB ARG A 49 -8.838 0.134 8.870 1.00 0.00 C ATOM 682 CG ARG A 49 -9.121 0.482 10.332 1.00 0.00 C ATOM 683 CD ARG A 49 -10.024 1.715 10.398 1.00 0.00 C ATOM 684 NE ARG A 49 -11.176 1.302 11.246 1.00 0.00 N ATOM 685 CZ ARG A 49 -11.275 1.739 12.471 1.00 0.00 C ATOM 686 NH1 ARG A 49 -11.904 2.856 12.716 1.00 0.00 N ATOM 687 NH2 ARG A 49 -10.745 1.061 13.452 1.00 0.00 N ATOM 0 H ARG A 49 -7.209 -1.910 8.742 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.200 -1.570 9.063 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.779 0.269 8.652 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.387 0.807 8.212 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.601 -0.360 10.831 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.186 0.674 10.859 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.499 2.566 10.832 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.354 2.017 9.404 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.888 0.677 10.869 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.318 3.387 11.950 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.982 3.198 13.674 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.253 0.188 13.261 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.823 1.404 14.409 1.00 0.00 H new ATOM 701 N GLY A 50 -8.356 -1.828 6.395 1.00 0.00 N ATOM 702 CA GLY A 50 -8.483 -2.052 4.927 1.00 0.00 C ATOM 703 C GLY A 50 -8.035 -3.471 4.572 1.00 0.00 C ATOM 704 O GLY A 50 -7.378 -4.140 5.346 1.00 0.00 O ATOM 0 H GLY A 50 -7.412 -1.911 6.771 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.517 -1.900 4.616 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.877 -1.325 4.386 1.00 0.00 H new ATOM 708 N TRP A 51 -8.389 -3.935 3.404 1.00 0.00 N ATOM 709 CA TRP A 51 -7.990 -5.311 2.989 1.00 0.00 C ATOM 710 C TRP A 51 -7.611 -5.317 1.505 1.00 0.00 C ATOM 711 O TRP A 51 -7.887 -4.380 0.785 1.00 0.00 O ATOM 712 CB TRP A 51 -9.235 -6.168 3.227 1.00 0.00 C ATOM 713 CG TRP A 51 -9.078 -6.945 4.494 1.00 0.00 C ATOM 714 CD1 TRP A 51 -9.819 -6.766 5.611 1.00 0.00 C ATOM 715 CD2 TRP A 51 -8.139 -8.017 4.792 1.00 0.00 C ATOM 716 NE1 TRP A 51 -9.394 -7.661 6.577 1.00 0.00 N ATOM 717 CE2 TRP A 51 -8.360 -8.453 6.120 1.00 0.00 C ATOM 718 CE3 TRP A 51 -7.127 -8.647 4.047 1.00 0.00 C ATOM 719 CZ2 TRP A 51 -7.603 -9.479 6.689 1.00 0.00 C ATOM 720 CZ3 TRP A 51 -6.363 -9.678 4.617 1.00 0.00 C ATOM 721 CH2 TRP A 51 -6.601 -10.094 5.934 1.00 0.00 C ATOM 0 H TRP A 51 -8.939 -3.419 2.717 1.00 0.00 H new ATOM 0 HA TRP A 51 -7.127 -5.682 3.543 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -10.119 -5.533 3.286 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -9.386 -6.848 2.389 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -10.612 -6.043 5.730 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -9.796 -7.727 7.512 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -6.936 -8.336 3.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -7.790 -9.795 7.705 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.586 -10.154 4.036 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -6.011 -10.889 6.365 1.00 0.00 H new ATOM 732 N CYS A 52 -6.975 -6.358 1.040 1.00 0.00 N ATOM 733 CA CYS A 52 -6.580 -6.399 -0.398 1.00 0.00 C ATOM 734 C CYS A 52 -7.502 -7.334 -1.189 1.00 0.00 C ATOM 735 O CYS A 52 -7.432 -8.541 -1.067 1.00 0.00 O ATOM 736 CB CYS A 52 -5.155 -6.940 -0.398 1.00 0.00 C ATOM 737 SG CYS A 52 -4.334 -6.472 -1.939 1.00 0.00 S ATOM 0 H CYS A 52 -6.713 -7.177 1.589 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.652 -5.418 -0.867 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -4.604 -6.544 0.455 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -5.166 -8.025 -0.294 1.00 0.00 H new ATOM 742 N ARG A 53 -8.358 -6.784 -2.008 1.00 0.00 N ATOM 743 CA ARG A 53 -9.274 -7.642 -2.818 1.00 0.00 C ATOM 744 C ARG A 53 -9.180 -7.245 -4.292 1.00 0.00 C ATOM 745 O ARG A 53 -8.937 -6.100 -4.618 1.00 0.00 O ATOM 746 CB ARG A 53 -10.690 -7.358 -2.299 1.00 0.00 C ATOM 747 CG ARG A 53 -10.691 -7.163 -0.780 1.00 0.00 C ATOM 748 CD ARG A 53 -11.222 -5.765 -0.464 1.00 0.00 C ATOM 749 NE ARG A 53 -10.977 -5.573 0.991 1.00 0.00 N ATOM 750 CZ ARG A 53 -11.908 -5.878 1.854 1.00 0.00 C ATOM 751 NH1 ARG A 53 -12.180 -7.129 2.107 1.00 0.00 N ATOM 752 NH2 ARG A 53 -12.566 -4.930 2.465 1.00 0.00 N ATOM 0 H ARG A 53 -8.463 -5.780 -2.152 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.017 -8.698 -2.732 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -11.086 -6.466 -2.784 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -11.350 -8.184 -2.563 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.313 -7.920 -0.303 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.683 -7.283 -0.383 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.707 -5.006 -1.053 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.284 -5.685 -0.698 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.083 -5.204 1.314 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.665 -7.869 1.630 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.907 -7.366 2.781 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.352 -3.952 2.268 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.294 -5.167 3.139 1.00 0.00 H new ATOM 766 N SER A 54 -9.388 -8.170 -5.189 1.00 0.00 N ATOM 767 CA SER A 54 -9.325 -7.815 -6.634 1.00 0.00 C ATOM 768 C SER A 54 -10.307 -6.678 -6.911 1.00 0.00 C ATOM 769 O SER A 54 -9.968 -5.671 -7.501 1.00 0.00 O ATOM 770 CB SER A 54 -9.742 -9.085 -7.373 1.00 0.00 C ATOM 771 OG SER A 54 -11.133 -9.304 -7.181 1.00 0.00 O ATOM 0 H SER A 54 -9.597 -9.148 -4.986 1.00 0.00 H new ATOM 0 HA SER A 54 -8.337 -7.479 -6.949 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.520 -8.991 -8.436 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.173 -9.938 -7.003 1.00 0.00 H new ATOM 0 HG SER A 54 -11.405 -10.117 -7.655 1.00 0.00 H new ATOM 777 N LYS A 55 -11.521 -6.834 -6.468 1.00 0.00 N ATOM 778 CA LYS A 55 -12.546 -5.779 -6.670 1.00 0.00 C ATOM 779 C LYS A 55 -13.232 -5.496 -5.323 1.00 0.00 C ATOM 780 O LYS A 55 -12.989 -6.177 -4.346 1.00 0.00 O ATOM 781 CB LYS A 55 -13.514 -6.382 -7.702 1.00 0.00 C ATOM 782 CG LYS A 55 -14.970 -6.137 -7.295 1.00 0.00 C ATOM 783 CD LYS A 55 -15.906 -6.768 -8.329 1.00 0.00 C ATOM 784 CE LYS A 55 -16.653 -5.666 -9.082 1.00 0.00 C ATOM 785 NZ LYS A 55 -16.285 -5.859 -10.512 1.00 0.00 N ATOM 0 H LYS A 55 -11.850 -7.660 -5.968 1.00 0.00 H new ATOM 0 HA LYS A 55 -12.147 -4.828 -7.023 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -13.327 -5.942 -8.682 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.333 -7.453 -7.794 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -15.159 -6.564 -6.310 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -15.162 -5.067 -7.221 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -15.334 -7.378 -9.029 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -16.616 -7.431 -7.835 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -17.730 -5.749 -8.937 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -16.359 -4.678 -8.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -16.760 -5.139 -11.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -15.255 -5.768 -10.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -16.583 -6.806 -10.822 1.00 0.00 H new ATOM 799 N CYS A 56 -14.080 -4.507 -5.256 1.00 0.00 N ATOM 800 CA CYS A 56 -14.757 -4.211 -3.960 1.00 0.00 C ATOM 801 C CYS A 56 -16.158 -3.640 -4.199 1.00 0.00 C ATOM 802 O CYS A 56 -16.541 -3.351 -5.315 1.00 0.00 O ATOM 803 CB CYS A 56 -13.854 -3.186 -3.274 1.00 0.00 C ATOM 804 SG CYS A 56 -12.385 -4.031 -2.639 1.00 0.00 S ATOM 0 H CYS A 56 -14.332 -3.896 -6.033 1.00 0.00 H new ATOM 0 HA CYS A 56 -14.894 -5.104 -3.351 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -13.565 -2.406 -3.979 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -14.389 -2.697 -2.460 1.00 0.00 H new ATOM 809 N PHE A 57 -16.929 -3.483 -3.154 1.00 0.00 N ATOM 810 CA PHE A 57 -18.309 -2.941 -3.317 1.00 0.00 C ATOM 811 C PHE A 57 -18.273 -1.421 -3.464 1.00 0.00 C ATOM 812 O PHE A 57 -17.224 -0.826 -3.619 1.00 0.00 O ATOM 813 CB PHE A 57 -19.045 -3.332 -2.035 1.00 0.00 C ATOM 814 CG PHE A 57 -19.717 -4.672 -2.224 1.00 0.00 C ATOM 815 CD1 PHE A 57 -19.183 -5.603 -3.121 1.00 0.00 C ATOM 816 CD2 PHE A 57 -20.876 -4.982 -1.501 1.00 0.00 C ATOM 817 CE1 PHE A 57 -19.807 -6.844 -3.297 1.00 0.00 C ATOM 818 CE2 PHE A 57 -21.499 -6.223 -1.676 1.00 0.00 C ATOM 819 CZ PHE A 57 -20.966 -7.153 -2.574 1.00 0.00 C ATOM 0 H PHE A 57 -16.662 -3.707 -2.195 1.00 0.00 H new ATOM 0 HA PHE A 57 -18.798 -3.334 -4.208 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -18.344 -3.380 -1.202 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -19.787 -2.574 -1.784 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -18.289 -5.365 -3.678 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -21.289 -4.263 -0.809 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -19.395 -7.563 -3.990 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -22.392 -6.462 -1.117 1.00 0.00 H new ATOM 0 HZ PHE A 57 -21.448 -8.110 -2.710 1.00 0.00 H new ATOM 829 N ARG A 58 -19.411 -0.788 -3.420 1.00 0.00 N ATOM 830 CA ARG A 58 -19.450 0.690 -3.559 1.00 0.00 C ATOM 831 C ARG A 58 -19.268 1.356 -2.197 1.00 0.00 C ATOM 832 O ARG A 58 -18.507 2.291 -2.051 1.00 0.00 O ATOM 833 CB ARG A 58 -20.831 1.000 -4.136 1.00 0.00 C ATOM 834 CG ARG A 58 -20.753 2.260 -5.000 1.00 0.00 C ATOM 835 CD ARG A 58 -21.577 2.055 -6.272 1.00 0.00 C ATOM 836 NE ARG A 58 -20.584 2.083 -7.381 1.00 0.00 N ATOM 837 CZ ARG A 58 -20.572 3.083 -8.219 1.00 0.00 C ATOM 838 NH1 ARG A 58 -21.602 3.304 -8.988 1.00 0.00 N ATOM 839 NH2 ARG A 58 -19.528 3.864 -8.287 1.00 0.00 N ATOM 0 H ARG A 58 -20.319 -1.235 -3.293 1.00 0.00 H new ATOM 0 HA ARG A 58 -18.652 1.065 -4.199 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -21.185 0.159 -4.732 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -21.550 1.143 -3.329 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -21.129 3.119 -4.444 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -19.716 2.475 -5.256 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -22.114 1.107 -6.246 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -22.323 2.841 -6.390 1.00 0.00 H new ATOM 0 HE ARG A 58 -19.914 1.321 -7.486 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -22.418 2.695 -8.935 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -21.591 4.086 -9.643 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -18.723 3.692 -7.685 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -19.518 4.646 -8.942 1.00 0.00 H new ATOM 853 N HIS A 59 -19.950 0.878 -1.193 1.00 0.00 N ATOM 854 CA HIS A 59 -19.794 1.485 0.156 1.00 0.00 C ATOM 855 C HIS A 59 -18.307 1.578 0.506 1.00 0.00 C ATOM 856 O HIS A 59 -17.903 2.344 1.359 1.00 0.00 O ATOM 857 CB HIS A 59 -20.514 0.531 1.109 1.00 0.00 C ATOM 858 CG HIS A 59 -21.299 1.324 2.117 1.00 0.00 C ATOM 859 ND1 HIS A 59 -21.156 1.130 3.482 1.00 0.00 N ATOM 860 CD2 HIS A 59 -22.238 2.316 1.975 1.00 0.00 C ATOM 861 CE1 HIS A 59 -21.989 1.985 4.103 1.00 0.00 C ATOM 862 NE2 HIS A 59 -22.672 2.732 3.231 1.00 0.00 N ATOM 0 H HIS A 59 -20.605 0.098 -1.249 1.00 0.00 H new ATOM 0 HA HIS A 59 -20.205 2.493 0.213 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -21.180 -0.125 0.549 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -19.791 -0.107 1.617 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -22.587 2.713 1.033 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -22.093 2.058 5.175 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -23.363 3.452 3.440 1.00 0.00 H new ATOM 870 N GLU A 60 -17.490 0.799 -0.151 1.00 0.00 N ATOM 871 CA GLU A 60 -16.033 0.832 0.129 1.00 0.00 C ATOM 872 C GLU A 60 -15.282 1.374 -1.090 1.00 0.00 C ATOM 873 O GLU A 60 -15.846 1.535 -2.154 1.00 0.00 O ATOM 874 CB GLU A 60 -15.664 -0.629 0.373 1.00 0.00 C ATOM 875 CG GLU A 60 -16.463 -1.171 1.559 1.00 0.00 C ATOM 876 CD GLU A 60 -16.698 -2.671 1.376 1.00 0.00 C ATOM 877 OE1 GLU A 60 -16.606 -3.131 0.250 1.00 0.00 O ATOM 878 OE2 GLU A 60 -16.966 -3.334 2.364 1.00 0.00 O ATOM 0 H GLU A 60 -17.775 0.138 -0.874 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.778 1.472 0.974 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.872 -1.220 -0.519 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.596 -0.716 0.571 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.923 -0.988 2.488 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -17.417 -0.650 1.636 1.00 0.00 H new ATOM 885 N TYR A 61 -14.013 1.643 -0.953 1.00 0.00 N ATOM 886 CA TYR A 61 -13.241 2.156 -2.119 1.00 0.00 C ATOM 887 C TYR A 61 -11.918 1.411 -2.241 1.00 0.00 C ATOM 888 O TYR A 61 -11.696 0.403 -1.601 1.00 0.00 O ATOM 889 CB TYR A 61 -12.996 3.643 -1.846 1.00 0.00 C ATOM 890 CG TYR A 61 -12.075 3.819 -0.659 1.00 0.00 C ATOM 891 CD1 TYR A 61 -12.522 3.504 0.630 1.00 0.00 C ATOM 892 CD2 TYR A 61 -10.775 4.309 -0.848 1.00 0.00 C ATOM 893 CE1 TYR A 61 -11.671 3.678 1.729 1.00 0.00 C ATOM 894 CE2 TYR A 61 -9.926 4.485 0.252 1.00 0.00 C ATOM 895 CZ TYR A 61 -10.373 4.169 1.539 1.00 0.00 C ATOM 896 OH TYR A 61 -9.536 4.342 2.622 1.00 0.00 O ATOM 0 H TYR A 61 -13.480 1.531 -0.090 1.00 0.00 H new ATOM 0 HA TYR A 61 -13.782 2.010 -3.054 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -12.558 4.113 -2.726 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -13.945 4.145 -1.655 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -13.523 3.127 0.777 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -10.428 4.551 -1.842 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -12.016 3.434 2.723 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -8.926 4.865 0.106 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.672 4.689 2.316 1.00 0.00 H new ATOM 906 N VAL A 62 -11.039 1.902 -3.063 1.00 0.00 N ATOM 907 CA VAL A 62 -9.724 1.228 -3.239 1.00 0.00 C ATOM 908 C VAL A 62 -8.607 2.099 -2.668 1.00 0.00 C ATOM 909 O VAL A 62 -8.045 2.922 -3.359 1.00 0.00 O ATOM 910 CB VAL A 62 -9.559 1.070 -4.751 1.00 0.00 C ATOM 911 CG1 VAL A 62 -8.142 0.585 -5.064 1.00 0.00 C ATOM 912 CG2 VAL A 62 -10.572 0.046 -5.270 1.00 0.00 C ATOM 0 H VAL A 62 -11.173 2.744 -3.623 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.678 0.270 -2.722 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.730 2.031 -5.236 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -8.026 0.473 -6.142 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.419 1.312 -4.695 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.971 -0.376 -4.579 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.455 -0.067 -6.348 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.401 -0.914 -4.783 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.583 0.390 -5.049 1.00 0.00 H new ATOM 922 N ASP A 63 -8.288 1.927 -1.411 1.00 0.00 N ATOM 923 CA ASP A 63 -7.206 2.747 -0.788 1.00 0.00 C ATOM 924 C ASP A 63 -6.043 2.918 -1.767 1.00 0.00 C ATOM 925 O ASP A 63 -5.142 2.105 -1.826 1.00 0.00 O ATOM 926 CB ASP A 63 -6.760 1.952 0.440 1.00 0.00 C ATOM 927 CG ASP A 63 -6.045 2.884 1.420 1.00 0.00 C ATOM 928 OD1 ASP A 63 -5.470 3.859 0.967 1.00 0.00 O ATOM 929 OD2 ASP A 63 -6.084 2.605 2.607 1.00 0.00 O ATOM 0 H ASP A 63 -8.731 1.252 -0.788 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.548 3.747 -0.522 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.623 1.493 0.922 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.094 1.143 0.140 1.00 0.00 H new ATOM 934 N THR A 64 -6.063 3.965 -2.543 1.00 0.00 N ATOM 935 CA THR A 64 -4.965 4.187 -3.528 1.00 0.00 C ATOM 936 C THR A 64 -3.606 4.186 -2.825 1.00 0.00 C ATOM 937 O THR A 64 -2.611 3.755 -3.374 1.00 0.00 O ATOM 938 CB THR A 64 -5.250 5.561 -4.135 1.00 0.00 C ATOM 939 OG1 THR A 64 -5.705 6.441 -3.118 1.00 0.00 O ATOM 940 CG2 THR A 64 -6.323 5.431 -5.218 1.00 0.00 C ATOM 0 H THR A 64 -6.792 4.678 -2.539 1.00 0.00 H new ATOM 0 HA THR A 64 -4.929 3.403 -4.284 1.00 0.00 H new ATOM 0 HB THR A 64 -4.337 5.959 -4.578 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.678 6.536 -3.179 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.525 6.411 -5.650 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.972 4.756 -5.999 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.237 5.033 -4.778 1.00 0.00 H new ATOM 948 N TYR A 65 -3.555 4.671 -1.617 1.00 0.00 N ATOM 949 CA TYR A 65 -2.260 4.706 -0.880 1.00 0.00 C ATOM 950 C TYR A 65 -1.741 3.288 -0.626 1.00 0.00 C ATOM 951 O TYR A 65 -0.581 2.996 -0.836 1.00 0.00 O ATOM 952 CB TYR A 65 -2.578 5.398 0.444 1.00 0.00 C ATOM 953 CG TYR A 65 -1.319 6.018 0.999 1.00 0.00 C ATOM 954 CD1 TYR A 65 -0.686 7.057 0.307 1.00 0.00 C ATOM 955 CD2 TYR A 65 -0.783 5.553 2.207 1.00 0.00 C ATOM 956 CE1 TYR A 65 0.483 7.631 0.821 1.00 0.00 C ATOM 957 CE2 TYR A 65 0.386 6.127 2.721 1.00 0.00 C ATOM 958 CZ TYR A 65 1.019 7.166 2.028 1.00 0.00 C ATOM 959 OH TYR A 65 2.172 7.731 2.534 1.00 0.00 O ATOM 0 H TYR A 65 -4.355 5.045 -1.106 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.486 5.227 -1.444 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.338 6.164 0.293 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.986 4.679 1.154 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -1.099 7.416 -0.624 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -1.272 4.752 2.742 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.971 8.432 0.286 1.00 0.00 H new ATOM 0 HE2 TYR A 65 0.799 5.768 3.652 1.00 0.00 H new ATOM 0 HH TYR A 65 2.408 7.293 3.378 1.00 0.00 H new ATOM 969 N TYR A 66 -2.585 2.407 -0.162 1.00 0.00 N ATOM 970 CA TYR A 66 -2.123 1.016 0.118 1.00 0.00 C ATOM 971 C TYR A 66 -2.225 0.141 -1.134 1.00 0.00 C ATOM 972 O TYR A 66 -1.765 -0.985 -1.151 1.00 0.00 O ATOM 973 CB TYR A 66 -3.047 0.504 1.219 1.00 0.00 C ATOM 974 CG TYR A 66 -2.515 0.960 2.554 1.00 0.00 C ATOM 975 CD1 TYR A 66 -2.923 2.188 3.089 1.00 0.00 C ATOM 976 CD2 TYR A 66 -1.602 0.162 3.253 1.00 0.00 C ATOM 977 CE1 TYR A 66 -2.419 2.616 4.323 1.00 0.00 C ATOM 978 CE2 TYR A 66 -1.099 0.589 4.487 1.00 0.00 C ATOM 979 CZ TYR A 66 -1.508 1.817 5.022 1.00 0.00 C ATOM 980 OH TYR A 66 -1.011 2.238 6.238 1.00 0.00 O ATOM 0 H TYR A 66 -3.569 2.588 0.035 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.076 0.989 0.421 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -4.059 0.881 1.068 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.104 -0.584 1.188 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.626 2.805 2.550 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.285 -0.784 2.840 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.734 3.563 4.735 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.396 -0.028 5.027 1.00 0.00 H new ATOM 0 HH TYR A 66 -0.392 1.565 6.589 1.00 0.00 H new ATOM 990 N SER A 67 -2.796 0.650 -2.191 1.00 0.00 N ATOM 991 CA SER A 67 -2.889 -0.165 -3.435 1.00 0.00 C ATOM 992 C SER A 67 -1.501 -0.714 -3.773 1.00 0.00 C ATOM 993 O SER A 67 -1.359 -1.696 -4.474 1.00 0.00 O ATOM 994 CB SER A 67 -3.359 0.809 -4.515 1.00 0.00 C ATOM 995 OG SER A 67 -4.529 0.291 -5.136 1.00 0.00 O ATOM 0 H SER A 67 -3.199 1.586 -2.248 1.00 0.00 H new ATOM 0 HA SER A 67 -3.568 -1.012 -3.340 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.568 1.784 -4.076 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.574 0.955 -5.257 1.00 0.00 H new ATOM 0 HG SER A 67 -4.835 0.914 -5.828 1.00 0.00 H new ATOM 1001 N ALA A 68 -0.475 -0.077 -3.269 1.00 0.00 N ATOM 1002 CA ALA A 68 0.914 -0.542 -3.545 1.00 0.00 C ATOM 1003 C ALA A 68 1.188 -1.871 -2.831 1.00 0.00 C ATOM 1004 O ALA A 68 1.371 -2.892 -3.463 1.00 0.00 O ATOM 1005 CB ALA A 68 1.814 0.562 -2.992 1.00 0.00 C ATOM 0 H ALA A 68 -0.542 0.750 -2.675 1.00 0.00 H new ATOM 0 HA ALA A 68 1.086 -0.718 -4.607 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.858 0.296 -3.156 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.594 1.500 -3.502 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.633 0.678 -1.924 1.00 0.00 H new ATOM 1011 N VAL A 69 1.224 -1.873 -1.524 1.00 0.00 N ATOM 1012 CA VAL A 69 1.496 -3.149 -0.800 1.00 0.00 C ATOM 1013 C VAL A 69 0.600 -4.254 -1.355 1.00 0.00 C ATOM 1014 O VAL A 69 0.931 -5.419 -1.303 1.00 0.00 O ATOM 1015 CB VAL A 69 1.185 -2.869 0.678 1.00 0.00 C ATOM 1016 CG1 VAL A 69 -0.319 -2.726 0.892 1.00 0.00 C ATOM 1017 CG2 VAL A 69 1.705 -4.019 1.536 1.00 0.00 C ATOM 0 H VAL A 69 1.078 -1.055 -0.932 1.00 0.00 H new ATOM 0 HA VAL A 69 2.527 -3.482 -0.920 1.00 0.00 H new ATOM 0 HB VAL A 69 1.674 -1.938 0.965 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.519 -2.528 1.945 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.695 -1.899 0.289 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.818 -3.648 0.595 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.484 -3.820 2.585 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.220 -4.947 1.233 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.783 -4.113 1.404 1.00 0.00 H new ATOM 1027 N CYS A 70 -0.528 -3.891 -1.899 1.00 0.00 N ATOM 1028 CA CYS A 70 -1.445 -4.916 -2.471 1.00 0.00 C ATOM 1029 C CYS A 70 -0.791 -5.598 -3.677 1.00 0.00 C ATOM 1030 O CYS A 70 -0.539 -6.786 -3.669 1.00 0.00 O ATOM 1031 CB CYS A 70 -2.685 -4.136 -2.903 1.00 0.00 C ATOM 1032 SG CYS A 70 -4.042 -4.484 -1.759 1.00 0.00 S ATOM 0 H CYS A 70 -0.855 -2.928 -1.972 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.686 -5.702 -1.755 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.470 -3.067 -2.915 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -2.969 -4.416 -3.917 1.00 0.00 H new ATOM 1037 N GLY A 71 -0.516 -4.854 -4.714 1.00 0.00 N ATOM 1038 CA GLY A 71 0.119 -5.461 -5.918 1.00 0.00 C ATOM 1039 C GLY A 71 -0.952 -5.739 -6.973 1.00 0.00 C ATOM 1040 O GLY A 71 -1.568 -4.834 -7.500 1.00 0.00 O ATOM 0 H GLY A 71 -0.703 -3.853 -4.779 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.876 -4.788 -6.321 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.627 -6.387 -5.647 1.00 0.00 H new ATOM 1044 N ARG A 72 -1.183 -6.986 -7.285 1.00 0.00 N ATOM 1045 CA ARG A 72 -2.219 -7.318 -8.304 1.00 0.00 C ATOM 1046 C ARG A 72 -3.590 -6.823 -7.838 1.00 0.00 C ATOM 1047 O ARG A 72 -4.316 -6.187 -8.576 1.00 0.00 O ATOM 1048 CB ARG A 72 -2.204 -8.843 -8.402 1.00 0.00 C ATOM 1049 CG ARG A 72 -0.954 -9.296 -9.159 1.00 0.00 C ATOM 1050 CD ARG A 72 -0.959 -10.822 -9.281 1.00 0.00 C ATOM 1051 NE ARG A 72 -0.343 -11.103 -10.607 1.00 0.00 N ATOM 1052 CZ ARG A 72 -0.058 -12.331 -10.948 1.00 0.00 C ATOM 1053 NH1 ARG A 72 0.131 -13.236 -10.028 1.00 0.00 N ATOM 1054 NH2 ARG A 72 0.039 -12.652 -12.209 1.00 0.00 N ATOM 0 H ARG A 72 -0.700 -7.787 -6.879 1.00 0.00 H new ATOM 0 HA ARG A 72 -2.020 -6.847 -9.267 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -2.216 -9.282 -7.404 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.099 -9.193 -8.915 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.930 -8.841 -10.149 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.058 -8.965 -8.634 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.389 -11.285 -8.475 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.972 -11.219 -9.224 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.144 -10.336 -11.249 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.056 -12.985 -9.042 1.00 0.00 H new ATOM 0 HH12 ARG A 72 0.354 -14.195 -10.294 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.108 -11.944 -12.928 1.00 0.00 H new ATOM 0 HH22 ARG A 72 0.262 -13.611 -12.475 1.00 0.00 H new ATOM 1068 N TYR A 73 -3.949 -7.108 -6.616 1.00 0.00 N ATOM 1069 CA TYR A 73 -5.271 -6.652 -6.101 1.00 0.00 C ATOM 1070 C TYR A 73 -5.178 -5.202 -5.623 1.00 0.00 C ATOM 1071 O TYR A 73 -4.139 -4.577 -5.703 1.00 0.00 O ATOM 1072 CB TYR A 73 -5.579 -7.569 -4.918 1.00 0.00 C ATOM 1073 CG TYR A 73 -5.669 -9.001 -5.383 1.00 0.00 C ATOM 1074 CD1 TYR A 73 -6.206 -9.298 -6.640 1.00 0.00 C ATOM 1075 CD2 TYR A 73 -5.214 -10.032 -4.553 1.00 0.00 C ATOM 1076 CE1 TYR A 73 -6.288 -10.630 -7.067 1.00 0.00 C ATOM 1077 CE2 TYR A 73 -5.297 -11.362 -4.978 1.00 0.00 C ATOM 1078 CZ TYR A 73 -5.834 -11.661 -6.236 1.00 0.00 C ATOM 1079 OH TYR A 73 -5.916 -12.973 -6.656 1.00 0.00 O ATOM 0 H TYR A 73 -3.384 -7.637 -5.952 1.00 0.00 H new ATOM 0 HA TYR A 73 -6.044 -6.695 -6.868 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.801 -7.472 -4.161 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.517 -7.270 -4.451 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.557 -8.502 -7.280 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.798 -9.800 -3.583 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.702 -10.861 -8.037 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -4.947 -12.157 -4.337 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.557 -13.562 -5.960 1.00 0.00 H new ATOM 1089 N PHE A 74 -6.252 -4.669 -5.114 1.00 0.00 N ATOM 1090 CA PHE A 74 -6.223 -3.266 -4.614 1.00 0.00 C ATOM 1091 C PHE A 74 -6.604 -3.241 -3.135 1.00 0.00 C ATOM 1092 O PHE A 74 -7.506 -3.933 -2.707 1.00 0.00 O ATOM 1093 CB PHE A 74 -7.266 -2.503 -5.435 1.00 0.00 C ATOM 1094 CG PHE A 74 -7.232 -2.959 -6.871 1.00 0.00 C ATOM 1095 CD1 PHE A 74 -7.844 -4.163 -7.234 1.00 0.00 C ATOM 1096 CD2 PHE A 74 -6.595 -2.175 -7.840 1.00 0.00 C ATOM 1097 CE1 PHE A 74 -7.822 -4.585 -8.568 1.00 0.00 C ATOM 1098 CE2 PHE A 74 -6.571 -2.598 -9.174 1.00 0.00 C ATOM 1099 CZ PHE A 74 -7.184 -3.803 -9.538 1.00 0.00 C ATOM 0 H PHE A 74 -7.150 -5.144 -5.022 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.233 -2.821 -4.714 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.259 -2.667 -5.017 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.070 -1.432 -5.381 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -8.334 -4.767 -6.485 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -6.123 -1.245 -7.559 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.297 -5.513 -8.849 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -6.079 -1.995 -9.923 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.165 -4.129 -10.567 1.00 0.00 H new ATOM 1109 N CYS A 75 -5.930 -2.452 -2.351 1.00 0.00 N ATOM 1110 CA CYS A 75 -6.266 -2.391 -0.904 1.00 0.00 C ATOM 1111 C CYS A 75 -7.490 -1.501 -0.695 1.00 0.00 C ATOM 1112 O CYS A 75 -7.384 -0.293 -0.649 1.00 0.00 O ATOM 1113 CB CYS A 75 -5.037 -1.776 -0.237 1.00 0.00 C ATOM 1114 SG CYS A 75 -5.455 -1.279 1.453 1.00 0.00 S ATOM 0 H CYS A 75 -5.163 -1.848 -2.648 1.00 0.00 H new ATOM 0 HA CYS A 75 -6.504 -3.371 -0.489 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -4.218 -2.496 -0.224 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -4.694 -0.913 -0.807 1.00 0.00 H new ATOM 1119 N CYS A 76 -8.648 -2.082 -0.564 1.00 0.00 N ATOM 1120 CA CYS A 76 -9.863 -1.250 -0.356 1.00 0.00 C ATOM 1121 C CYS A 76 -9.944 -0.802 1.099 1.00 0.00 C ATOM 1122 O CYS A 76 -9.164 -1.218 1.935 1.00 0.00 O ATOM 1123 CB CYS A 76 -11.043 -2.158 -0.694 1.00 0.00 C ATOM 1124 SG CYS A 76 -11.006 -2.568 -2.454 1.00 0.00 S ATOM 0 H CYS A 76 -8.805 -3.089 -0.592 1.00 0.00 H new ATOM 0 HA CYS A 76 -9.854 -0.353 -0.975 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -10.997 -3.069 -0.097 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -11.981 -1.661 -0.445 1.00 0.00 H new ATOM 1129 N ARG A 77 -10.879 0.046 1.406 1.00 0.00 N ATOM 1130 CA ARG A 77 -11.008 0.530 2.806 1.00 0.00 C ATOM 1131 C ARG A 77 -12.405 1.106 3.041 1.00 0.00 C ATOM 1132 O ARG A 77 -13.236 1.131 2.155 1.00 0.00 O ATOM 1133 CB ARG A 77 -9.951 1.624 2.934 1.00 0.00 C ATOM 1134 CG ARG A 77 -8.704 1.057 3.615 1.00 0.00 C ATOM 1135 CD ARG A 77 -8.175 2.069 4.632 1.00 0.00 C ATOM 1136 NE ARG A 77 -9.349 2.400 5.484 1.00 0.00 N ATOM 1137 CZ ARG A 77 -9.259 3.340 6.384 1.00 0.00 C ATOM 1138 NH1 ARG A 77 -8.404 4.313 6.229 1.00 0.00 N ATOM 1139 NH2 ARG A 77 -10.026 3.307 7.439 1.00 0.00 N ATOM 0 H ARG A 77 -11.561 0.426 0.749 1.00 0.00 H new ATOM 0 HA ARG A 77 -10.869 -0.267 3.537 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.694 2.013 1.948 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -10.346 2.459 3.513 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -8.943 0.117 4.112 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -7.938 0.838 2.871 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.363 1.647 5.224 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.781 2.957 4.138 1.00 0.00 H new ATOM 0 HE ARG A 77 -10.225 1.891 5.364 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.805 4.339 5.404 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -8.334 5.048 6.933 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -10.695 2.547 7.559 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -9.956 4.042 8.143 1.00 0.00 H new ATOM 1153 N SER A 78 -12.669 1.570 4.230 1.00 0.00 N ATOM 1154 CA SER A 78 -14.011 2.148 4.520 1.00 0.00 C ATOM 1155 C SER A 78 -13.945 3.677 4.504 1.00 0.00 C ATOM 1156 O SER A 78 -13.255 4.287 5.296 1.00 0.00 O ATOM 1157 CB SER A 78 -14.367 1.640 5.917 1.00 0.00 C ATOM 1158 OG SER A 78 -13.579 0.495 6.213 1.00 0.00 O ATOM 0 H SER A 78 -12.015 1.574 5.013 1.00 0.00 H new ATOM 0 HA SER A 78 -14.755 1.856 3.779 1.00 0.00 H new ATOM 0 HB2 SER A 78 -14.189 2.420 6.657 1.00 0.00 H new ATOM 0 HB3 SER A 78 -15.427 1.390 5.967 1.00 0.00 H new ATOM 0 HG SER A 78 -13.803 0.167 7.109 1.00 0.00 H new ATOM 1164 N ARG A 79 -14.659 4.301 3.606 1.00 0.00 N ATOM 1165 CA ARG A 79 -14.637 5.791 3.537 1.00 0.00 C ATOM 1166 C ARG A 79 -15.709 6.378 4.460 1.00 0.00 C ATOM 1167 O ARG A 79 -15.845 7.591 4.480 1.00 0.00 O ATOM 1168 CB ARG A 79 -14.945 6.123 2.077 1.00 0.00 C ATOM 1169 CG ARG A 79 -13.753 6.855 1.457 1.00 0.00 C ATOM 1170 CD ARG A 79 -14.231 8.156 0.808 1.00 0.00 C ATOM 1171 NE ARG A 79 -13.038 8.695 0.099 1.00 0.00 N ATOM 1172 CZ ARG A 79 -12.495 8.017 -0.876 1.00 0.00 C ATOM 1173 NH1 ARG A 79 -13.139 7.860 -1.999 1.00 0.00 N ATOM 1174 NH2 ARG A 79 -11.307 7.496 -0.727 1.00 0.00 N ATOM 1175 OXT ARG A 79 -16.374 5.606 5.130 1.00 0.00 O ATOM 0 H ARG A 79 -15.256 3.844 2.917 1.00 0.00 H new ATOM 0 HA ARG A 79 -13.681 6.207 3.856 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -15.153 5.209 1.521 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -15.839 6.744 2.015 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -13.008 7.071 2.222 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -13.271 6.221 0.713 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -15.052 7.973 0.115 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -14.596 8.859 1.556 1.00 0.00 H new ATOM 0 HE ARG A 79 -12.644 9.595 0.375 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -14.067 8.267 -2.116 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -12.715 7.330 -2.760 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -10.803 7.619 0.151 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -10.883 6.966 -1.489 1.00 0.00 H new