USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 477 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 59 HIS : no HD1:sc= 0 X(o=-0.48,f=-0.49) USER MOD Set 1.2: A 61 ASN : amide:sc= -0.483 X(o=-0.48,f=-0.37) USER MOD Set 2.1: A 38 TYR OH : rot -148:sc= 0.288 USER MOD Set 2.2: A 57 THR OG1 : rot 88:sc= 0.274 USER MOD Set 3.1: A 50 SER OG : rot 80:sc= -0.374 USER MOD Set 3.2: A 54 THR OG1 : rot 92:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.0807 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 39:sc= 0.307 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -119:sc= -0.0832 (180deg=-3.26!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN :FLIP amide:sc= -0.667 F(o=-1.3,f=-0.67) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -1.69! C(o=-1.7!,f=-2.9!) USER MOD Single : A 60 GLN : amide:sc= -1.43! C(o=-1.4!,f=-5.1!) USER MOD Single : A 64 SER OG : rot 180:sc= -0.274 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 134:sc= 0.00188 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.500 -28.178 9.678 1.00 0.00 N ATOM 2 CA GLY A 1 22.527 -29.254 9.700 1.00 0.00 C ATOM 3 C GLY A 1 22.424 -29.968 8.367 1.00 0.00 C ATOM 4 O GLY A 1 23.297 -29.830 7.511 1.00 0.00 O ATOM 0 H1 GLY A 1 24.171 -28.301 10.463 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.016 -28.195 8.775 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.011 -27.266 9.780 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.801 -29.972 10.473 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.551 -28.852 9.970 1.00 0.00 H new ATOM 8 N SER A 2 21.352 -30.736 8.191 1.00 0.00 N ATOM 9 CA SER A 2 21.140 -31.479 6.955 1.00 0.00 C ATOM 10 C SER A 2 19.742 -31.221 6.399 1.00 0.00 C ATOM 11 O SER A 2 18.916 -30.578 7.044 1.00 0.00 O ATOM 12 CB SER A 2 21.337 -32.978 7.196 1.00 0.00 C ATOM 13 OG SER A 2 22.666 -33.259 7.598 1.00 0.00 O ATOM 0 H SER A 2 20.618 -30.859 8.889 1.00 0.00 H new ATOM 0 HA SER A 2 21.872 -31.136 6.224 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.642 -33.321 7.962 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.105 -33.530 6.285 1.00 0.00 H new ATOM 0 HG SER A 2 22.766 -34.222 7.747 1.00 0.00 H new ATOM 19 N SER A 3 19.488 -31.730 5.197 1.00 0.00 N ATOM 20 CA SER A 3 18.192 -31.553 4.552 1.00 0.00 C ATOM 21 C SER A 3 17.796 -32.804 3.776 1.00 0.00 C ATOM 22 O SER A 3 18.496 -33.226 2.855 1.00 0.00 O ATOM 23 CB SER A 3 18.229 -30.346 3.612 1.00 0.00 C ATOM 24 OG SER A 3 19.265 -30.476 2.654 1.00 0.00 O ATOM 0 H SER A 3 20.162 -32.267 4.651 1.00 0.00 H new ATOM 0 HA SER A 3 17.447 -31.378 5.329 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.270 -30.248 3.104 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.378 -29.435 4.191 1.00 0.00 H new ATOM 0 HG SER A 3 19.318 -31.407 2.354 1.00 0.00 H new ATOM 30 N GLY A 4 16.666 -33.396 4.154 1.00 0.00 N ATOM 31 CA GLY A 4 16.196 -34.594 3.484 1.00 0.00 C ATOM 32 C GLY A 4 14.688 -34.733 3.536 1.00 0.00 C ATOM 33 O GLY A 4 14.157 -35.552 4.287 1.00 0.00 O ATOM 0 H GLY A 4 16.068 -33.067 4.912 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.520 -34.576 2.444 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.655 -35.468 3.946 1.00 0.00 H new ATOM 37 N SER A 5 13.993 -33.927 2.738 1.00 0.00 N ATOM 38 CA SER A 5 12.536 -33.960 2.700 1.00 0.00 C ATOM 39 C SER A 5 12.030 -34.016 1.262 1.00 0.00 C ATOM 40 O SER A 5 12.519 -33.294 0.393 1.00 0.00 O ATOM 41 CB SER A 5 11.958 -32.733 3.408 1.00 0.00 C ATOM 42 OG SER A 5 12.268 -31.544 2.701 1.00 0.00 O ATOM 0 H SER A 5 14.416 -33.244 2.110 1.00 0.00 H new ATOM 0 HA SER A 5 12.205 -34.860 3.218 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.876 -32.836 3.496 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.356 -32.672 4.421 1.00 0.00 H new ATOM 0 HG SER A 5 11.886 -30.774 3.172 1.00 0.00 H new ATOM 48 N SER A 6 11.049 -34.880 1.019 1.00 0.00 N ATOM 49 CA SER A 6 10.480 -35.034 -0.315 1.00 0.00 C ATOM 50 C SER A 6 9.194 -34.225 -0.453 1.00 0.00 C ATOM 51 O SER A 6 8.333 -34.251 0.425 1.00 0.00 O ATOM 52 CB SER A 6 10.200 -36.510 -0.605 1.00 0.00 C ATOM 53 OG SER A 6 11.346 -37.151 -1.138 1.00 0.00 O ATOM 0 H SER A 6 10.632 -35.483 1.728 1.00 0.00 H new ATOM 0 HA SER A 6 11.204 -34.659 -1.038 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.892 -37.012 0.312 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.372 -36.595 -1.308 1.00 0.00 H new ATOM 0 HG SER A 6 11.142 -38.093 -1.313 1.00 0.00 H new ATOM 59 N GLY A 7 9.073 -33.504 -1.564 1.00 0.00 N ATOM 60 CA GLY A 7 7.890 -32.697 -1.800 1.00 0.00 C ATOM 61 C GLY A 7 8.218 -31.228 -1.982 1.00 0.00 C ATOM 62 O GLY A 7 8.160 -30.449 -1.032 1.00 0.00 O ATOM 0 H GLY A 7 9.773 -33.465 -2.305 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.375 -33.064 -2.688 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.202 -32.812 -0.962 1.00 0.00 H new ATOM 66 N GLU A 8 8.567 -30.850 -3.208 1.00 0.00 N ATOM 67 CA GLU A 8 8.909 -29.465 -3.511 1.00 0.00 C ATOM 68 C GLU A 8 7.671 -28.575 -3.460 1.00 0.00 C ATOM 69 O GLU A 8 6.623 -28.919 -4.008 1.00 0.00 O ATOM 70 CB GLU A 8 9.563 -29.368 -4.891 1.00 0.00 C ATOM 71 CG GLU A 8 8.599 -29.610 -6.041 1.00 0.00 C ATOM 72 CD GLU A 8 8.124 -31.049 -6.110 1.00 0.00 C ATOM 73 OE1 GLU A 8 7.197 -31.404 -5.351 1.00 0.00 O ATOM 74 OE2 GLU A 8 8.677 -31.819 -6.923 1.00 0.00 O ATOM 0 H GLU A 8 8.620 -31.483 -4.006 1.00 0.00 H new ATOM 0 HA GLU A 8 9.616 -29.119 -2.756 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.009 -28.380 -5.004 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.375 -30.093 -4.950 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.737 -28.951 -5.933 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.086 -29.346 -6.980 1.00 0.00 H new ATOM 81 N ASP A 9 7.799 -27.431 -2.798 1.00 0.00 N ATOM 82 CA ASP A 9 6.690 -26.491 -2.674 1.00 0.00 C ATOM 83 C ASP A 9 7.148 -25.068 -2.982 1.00 0.00 C ATOM 84 O ASP A 9 8.338 -24.761 -2.920 1.00 0.00 O ATOM 85 CB ASP A 9 6.094 -26.554 -1.268 1.00 0.00 C ATOM 86 CG ASP A 9 7.148 -26.779 -0.202 1.00 0.00 C ATOM 87 OD1 ASP A 9 8.226 -26.154 -0.291 1.00 0.00 O ATOM 88 OD2 ASP A 9 6.895 -27.579 0.724 1.00 0.00 O ATOM 0 H ASP A 9 8.659 -27.131 -2.339 1.00 0.00 H new ATOM 0 HA ASP A 9 5.925 -26.773 -3.397 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.563 -25.625 -1.060 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.359 -27.358 -1.224 1.00 0.00 H new ATOM 93 N ASP A 10 6.194 -24.205 -3.315 1.00 0.00 N ATOM 94 CA ASP A 10 6.500 -22.815 -3.634 1.00 0.00 C ATOM 95 C ASP A 10 5.664 -21.867 -2.778 1.00 0.00 C ATOM 96 O ASP A 10 4.437 -21.954 -2.729 1.00 0.00 O ATOM 97 CB ASP A 10 6.246 -22.541 -5.116 1.00 0.00 C ATOM 98 CG ASP A 10 4.769 -22.544 -5.462 1.00 0.00 C ATOM 99 OD1 ASP A 10 4.033 -23.391 -4.914 1.00 0.00 O ATOM 100 OD2 ASP A 10 4.350 -21.698 -6.279 1.00 0.00 O ATOM 0 H ASP A 10 5.204 -24.443 -3.371 1.00 0.00 H new ATOM 0 HA ASP A 10 7.554 -22.641 -3.417 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.676 -21.576 -5.383 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.758 -23.295 -5.715 1.00 0.00 H new ATOM 105 N PRO A 11 6.344 -20.938 -2.089 1.00 0.00 N ATOM 106 CA PRO A 11 5.685 -19.955 -1.223 1.00 0.00 C ATOM 107 C PRO A 11 4.889 -18.925 -2.017 1.00 0.00 C ATOM 108 O PRO A 11 4.988 -18.860 -3.243 1.00 0.00 O ATOM 109 CB PRO A 11 6.852 -19.285 -0.496 1.00 0.00 C ATOM 110 CG PRO A 11 8.017 -19.457 -1.408 1.00 0.00 C ATOM 111 CD PRO A 11 7.807 -20.775 -2.102 1.00 0.00 C ATOM 0 HA PRO A 11 4.960 -20.420 -0.555 1.00 0.00 H new ATOM 0 HB2 PRO A 11 6.648 -18.231 -0.309 1.00 0.00 H new ATOM 0 HB3 PRO A 11 7.035 -19.751 0.472 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.073 -18.641 -2.128 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.953 -19.454 -0.850 1.00 0.00 H new ATOM 0 HD2 PRO A 11 8.201 -20.761 -3.118 1.00 0.00 H new ATOM 0 HD3 PRO A 11 8.307 -21.589 -1.578 1.00 0.00 H new ATOM 119 N ILE A 12 4.101 -18.122 -1.310 1.00 0.00 N ATOM 120 CA ILE A 12 3.289 -17.093 -1.950 1.00 0.00 C ATOM 121 C ILE A 12 4.107 -16.298 -2.961 1.00 0.00 C ATOM 122 O ILE A 12 5.213 -15.837 -2.677 1.00 0.00 O ATOM 123 CB ILE A 12 2.690 -16.124 -0.914 1.00 0.00 C ATOM 124 CG1 ILE A 12 1.799 -16.884 0.072 1.00 0.00 C ATOM 125 CG2 ILE A 12 1.901 -15.026 -1.611 1.00 0.00 C ATOM 126 CD1 ILE A 12 1.507 -16.112 1.340 1.00 0.00 C ATOM 0 H ILE A 12 4.007 -18.164 -0.295 1.00 0.00 H new ATOM 0 HA ILE A 12 2.478 -17.606 -2.466 1.00 0.00 H new ATOM 0 HB ILE A 12 3.505 -15.662 -0.357 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.857 -17.132 -0.418 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.281 -17.827 0.333 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.484 -14.349 -0.866 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.561 -14.470 -2.277 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.092 -15.471 -2.190 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.871 -16.711 1.992 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.442 -15.887 1.852 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.997 -15.182 1.090 1.00 0.00 H new ATOM 138 N PRO A 13 3.552 -16.128 -4.170 1.00 0.00 N ATOM 139 CA PRO A 13 4.211 -15.385 -5.247 1.00 0.00 C ATOM 140 C PRO A 13 4.281 -13.888 -4.961 1.00 0.00 C ATOM 141 O PRO A 13 3.618 -13.389 -4.051 1.00 0.00 O ATOM 142 CB PRO A 13 3.320 -15.655 -6.462 1.00 0.00 C ATOM 143 CG PRO A 13 1.979 -15.958 -5.889 1.00 0.00 C ATOM 144 CD PRO A 13 2.235 -16.648 -4.577 1.00 0.00 C ATOM 0 HA PRO A 13 5.246 -15.698 -5.382 1.00 0.00 H new ATOM 0 HB2 PRO A 13 3.281 -14.790 -7.124 1.00 0.00 H new ATOM 0 HB3 PRO A 13 3.697 -16.491 -7.051 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.402 -15.045 -5.744 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.403 -16.596 -6.560 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.465 -16.412 -3.842 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.248 -17.732 -4.689 1.00 0.00 H new ATOM 152 N ASP A 14 5.086 -13.178 -5.743 1.00 0.00 N ATOM 153 CA ASP A 14 5.241 -11.738 -5.574 1.00 0.00 C ATOM 154 C ASP A 14 3.941 -11.009 -5.902 1.00 0.00 C ATOM 155 O ASP A 14 3.556 -10.067 -5.210 1.00 0.00 O ATOM 156 CB ASP A 14 6.370 -11.216 -6.465 1.00 0.00 C ATOM 157 CG ASP A 14 6.583 -9.723 -6.316 1.00 0.00 C ATOM 158 OD1 ASP A 14 5.618 -9.019 -5.952 1.00 0.00 O ATOM 159 OD2 ASP A 14 7.716 -9.259 -6.560 1.00 0.00 O ATOM 0 H ASP A 14 5.641 -13.576 -6.500 1.00 0.00 H new ATOM 0 HA ASP A 14 5.493 -11.545 -4.531 1.00 0.00 H new ATOM 0 HB2 ASP A 14 7.294 -11.738 -6.218 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.143 -11.445 -7.506 1.00 0.00 H new ATOM 164 N GLU A 15 3.270 -11.452 -6.961 1.00 0.00 N ATOM 165 CA GLU A 15 2.014 -10.841 -7.380 1.00 0.00 C ATOM 166 C GLU A 15 1.074 -10.663 -6.191 1.00 0.00 C ATOM 167 O GLU A 15 0.222 -9.772 -6.188 1.00 0.00 O ATOM 168 CB GLU A 15 1.340 -11.695 -8.455 1.00 0.00 C ATOM 169 CG GLU A 15 0.979 -13.094 -7.984 1.00 0.00 C ATOM 170 CD GLU A 15 0.706 -14.043 -9.135 1.00 0.00 C ATOM 171 OE1 GLU A 15 -0.460 -14.118 -9.578 1.00 0.00 O ATOM 172 OE2 GLU A 15 1.657 -14.711 -9.591 1.00 0.00 O ATOM 0 H GLU A 15 3.575 -12.231 -7.544 1.00 0.00 H new ATOM 0 HA GLU A 15 2.237 -9.858 -7.795 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.435 -11.190 -8.794 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.004 -11.771 -9.316 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.792 -13.490 -7.376 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.098 -13.042 -7.344 1.00 0.00 H new ATOM 179 N LEU A 16 1.233 -11.514 -5.185 1.00 0.00 N ATOM 180 CA LEU A 16 0.398 -11.452 -3.991 1.00 0.00 C ATOM 181 C LEU A 16 1.157 -10.822 -2.827 1.00 0.00 C ATOM 182 O LEU A 16 0.942 -11.176 -1.667 1.00 0.00 O ATOM 183 CB LEU A 16 -0.079 -12.853 -3.604 1.00 0.00 C ATOM 184 CG LEU A 16 -1.121 -13.486 -4.527 1.00 0.00 C ATOM 185 CD1 LEU A 16 -1.162 -14.993 -4.331 1.00 0.00 C ATOM 186 CD2 LEU A 16 -2.493 -12.876 -4.281 1.00 0.00 C ATOM 0 H LEU A 16 1.933 -12.256 -5.172 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.468 -10.829 -4.216 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.788 -13.512 -3.562 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.494 -12.809 -2.597 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.836 -13.282 -5.559 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.909 -15.426 -4.996 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.184 -15.416 -4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.422 -15.218 -3.297 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.222 -13.339 -4.947 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.787 -13.048 -3.246 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.454 -11.804 -4.474 1.00 0.00 H new ATOM 198 N LEU A 17 2.045 -9.885 -3.145 1.00 0.00 N ATOM 199 CA LEU A 17 2.835 -9.204 -2.126 1.00 0.00 C ATOM 200 C LEU A 17 3.021 -7.731 -2.476 1.00 0.00 C ATOM 201 O LEU A 17 3.036 -7.358 -3.651 1.00 0.00 O ATOM 202 CB LEU A 17 4.198 -9.880 -1.972 1.00 0.00 C ATOM 203 CG LEU A 17 4.174 -11.372 -1.636 1.00 0.00 C ATOM 204 CD1 LEU A 17 5.569 -11.966 -1.743 1.00 0.00 C ATOM 205 CD2 LEU A 17 3.604 -11.594 -0.242 1.00 0.00 C ATOM 0 H LEU A 17 2.235 -9.580 -4.100 1.00 0.00 H new ATOM 0 HA LEU A 17 2.296 -9.269 -1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.754 -9.746 -2.900 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.752 -9.361 -1.190 1.00 0.00 H new ATOM 0 HG LEU A 17 3.530 -11.877 -2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.532 -13.028 -1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.942 -11.839 -2.759 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.235 -11.458 -1.046 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.594 -12.661 -0.019 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.222 -11.076 0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.587 -11.205 -0.199 1.00 0.00 H new ATOM 217 N CYS A 18 3.165 -6.898 -1.452 1.00 0.00 N ATOM 218 CA CYS A 18 3.354 -5.466 -1.650 1.00 0.00 C ATOM 219 C CYS A 18 4.774 -5.163 -2.122 1.00 0.00 C ATOM 220 O CYS A 18 5.671 -5.997 -1.998 1.00 0.00 O ATOM 221 CB CYS A 18 3.063 -4.707 -0.354 1.00 0.00 C ATOM 222 SG CYS A 18 4.378 -4.844 0.899 1.00 0.00 S ATOM 0 H CYS A 18 3.154 -7.190 -0.475 1.00 0.00 H new ATOM 0 HA CYS A 18 2.656 -5.137 -2.420 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.908 -3.654 -0.589 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.131 -5.079 0.071 1.00 0.00 H new ATOM 227 N LEU A 19 4.968 -3.965 -2.663 1.00 0.00 N ATOM 228 CA LEU A 19 6.279 -3.552 -3.153 1.00 0.00 C ATOM 229 C LEU A 19 6.974 -2.642 -2.146 1.00 0.00 C ATOM 230 O LEU A 19 7.652 -1.686 -2.522 1.00 0.00 O ATOM 231 CB LEU A 19 6.139 -2.833 -4.495 1.00 0.00 C ATOM 232 CG LEU A 19 5.213 -3.493 -5.518 1.00 0.00 C ATOM 233 CD1 LEU A 19 4.882 -2.524 -6.643 1.00 0.00 C ATOM 234 CD2 LEU A 19 5.849 -4.760 -6.073 1.00 0.00 C ATOM 0 H LEU A 19 4.236 -3.264 -2.773 1.00 0.00 H new ATOM 0 HA LEU A 19 6.888 -4.446 -3.288 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.777 -1.822 -4.307 1.00 0.00 H new ATOM 0 HB3 LEU A 19 7.130 -2.739 -4.939 1.00 0.00 H new ATOM 0 HG LEU A 19 4.284 -3.765 -5.016 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.222 -3.012 -7.361 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.385 -1.645 -6.232 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.801 -2.220 -7.143 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.177 -5.217 -6.799 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.793 -4.511 -6.559 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.034 -5.461 -5.259 1.00 0.00 H new ATOM 246 N ILE A 20 6.805 -2.949 -0.864 1.00 0.00 N ATOM 247 CA ILE A 20 7.420 -2.162 0.198 1.00 0.00 C ATOM 248 C ILE A 20 8.142 -3.057 1.199 1.00 0.00 C ATOM 249 O ILE A 20 9.371 -3.079 1.255 1.00 0.00 O ATOM 250 CB ILE A 20 6.375 -1.312 0.945 1.00 0.00 C ATOM 251 CG1 ILE A 20 5.868 -0.181 0.047 1.00 0.00 C ATOM 252 CG2 ILE A 20 6.970 -0.750 2.228 1.00 0.00 C ATOM 253 CD1 ILE A 20 4.634 0.509 0.584 1.00 0.00 C ATOM 0 H ILE A 20 6.247 -3.737 -0.536 1.00 0.00 H new ATOM 0 HA ILE A 20 8.142 -1.499 -0.278 1.00 0.00 H new ATOM 0 HB ILE A 20 5.530 -1.949 1.207 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.661 0.556 -0.078 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.648 -0.584 -0.942 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.220 -0.152 2.745 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.287 -1.570 2.872 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.830 -0.125 1.987 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.331 1.299 -0.103 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.826 -0.216 0.683 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.855 0.942 1.560 1.00 0.00 H new ATOM 265 N CYS A 21 7.368 -3.795 1.989 1.00 0.00 N ATOM 266 CA CYS A 21 7.933 -4.694 2.988 1.00 0.00 C ATOM 267 C CYS A 21 7.853 -6.145 2.521 1.00 0.00 C ATOM 268 O CYS A 21 8.405 -7.044 3.156 1.00 0.00 O ATOM 269 CB CYS A 21 7.198 -4.534 4.320 1.00 0.00 C ATOM 270 SG CYS A 21 5.455 -5.062 4.276 1.00 0.00 S ATOM 0 H CYS A 21 6.349 -3.788 1.956 1.00 0.00 H new ATOM 0 HA CYS A 21 8.982 -4.433 3.125 1.00 0.00 H new ATOM 0 HB2 CYS A 21 7.722 -5.110 5.083 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.242 -3.488 4.624 1.00 0.00 H new ATOM 275 N LYS A 22 7.164 -6.364 1.407 1.00 0.00 N ATOM 276 CA LYS A 22 7.013 -7.705 0.853 1.00 0.00 C ATOM 277 C LYS A 22 6.303 -8.626 1.841 1.00 0.00 C ATOM 278 O LYS A 22 6.816 -9.690 2.190 1.00 0.00 O ATOM 279 CB LYS A 22 8.381 -8.286 0.489 1.00 0.00 C ATOM 280 CG LYS A 22 9.184 -7.407 -0.453 1.00 0.00 C ATOM 281 CD LYS A 22 8.602 -7.414 -1.857 1.00 0.00 C ATOM 282 CE LYS A 22 9.062 -8.633 -2.644 1.00 0.00 C ATOM 283 NZ LYS A 22 10.428 -8.446 -3.207 1.00 0.00 N ATOM 0 H LYS A 22 6.701 -5.631 0.870 1.00 0.00 H new ATOM 0 HA LYS A 22 6.405 -7.632 -0.049 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.954 -8.443 1.403 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.240 -9.264 0.029 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.203 -6.386 -0.071 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.217 -7.755 -0.485 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.513 -7.405 -1.801 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.902 -6.507 -2.381 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.053 -9.509 -1.995 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.359 -8.829 -3.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.705 -9.298 -3.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.431 -7.625 -3.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.103 -8.284 -2.433 1.00 0.00 H new ATOM 297 N ASP A 23 5.124 -8.210 2.288 1.00 0.00 N ATOM 298 CA ASP A 23 4.343 -9.000 3.235 1.00 0.00 C ATOM 299 C ASP A 23 2.887 -9.094 2.792 1.00 0.00 C ATOM 300 O ASP A 23 2.359 -8.177 2.160 1.00 0.00 O ATOM 301 CB ASP A 23 4.427 -8.386 4.633 1.00 0.00 C ATOM 302 CG ASP A 23 5.769 -8.629 5.294 1.00 0.00 C ATOM 303 OD1 ASP A 23 6.021 -9.775 5.723 1.00 0.00 O ATOM 304 OD2 ASP A 23 6.569 -7.674 5.381 1.00 0.00 O ATOM 0 H ASP A 23 4.687 -7.331 2.011 1.00 0.00 H new ATOM 0 HA ASP A 23 4.760 -10.007 3.264 1.00 0.00 H new ATOM 0 HB2 ASP A 23 4.247 -7.313 4.566 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.637 -8.803 5.258 1.00 0.00 H new ATOM 309 N ILE A 24 2.244 -10.207 3.126 1.00 0.00 N ATOM 310 CA ILE A 24 0.848 -10.421 2.764 1.00 0.00 C ATOM 311 C ILE A 24 -0.003 -9.204 3.113 1.00 0.00 C ATOM 312 O ILE A 24 -0.018 -8.752 4.257 1.00 0.00 O ATOM 313 CB ILE A 24 0.266 -11.659 3.470 1.00 0.00 C ATOM 314 CG1 ILE A 24 1.079 -12.905 3.114 1.00 0.00 C ATOM 315 CG2 ILE A 24 -1.195 -11.847 3.091 1.00 0.00 C ATOM 316 CD1 ILE A 24 0.817 -14.080 4.029 1.00 0.00 C ATOM 0 H ILE A 24 2.667 -10.975 3.647 1.00 0.00 H new ATOM 0 HA ILE A 24 0.823 -10.583 1.686 1.00 0.00 H new ATOM 0 HB ILE A 24 0.324 -11.506 4.548 1.00 0.00 H new ATOM 0 HG12 ILE A 24 0.852 -13.196 2.088 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.140 -12.658 3.148 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.592 -12.726 3.598 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.765 -10.967 3.390 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.277 -11.982 2.013 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.427 -14.927 3.717 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.071 -13.807 5.053 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -0.237 -14.353 3.977 1.00 0.00 H new ATOM 328 N MET A 25 -0.712 -8.680 2.118 1.00 0.00 N ATOM 329 CA MET A 25 -1.568 -7.517 2.321 1.00 0.00 C ATOM 330 C MET A 25 -2.933 -7.934 2.860 1.00 0.00 C ATOM 331 O MET A 25 -3.858 -8.207 2.095 1.00 0.00 O ATOM 332 CB MET A 25 -1.738 -6.748 1.009 1.00 0.00 C ATOM 333 CG MET A 25 -0.422 -6.380 0.344 1.00 0.00 C ATOM 334 SD MET A 25 0.241 -7.716 -0.670 1.00 0.00 S ATOM 335 CE MET A 25 -0.879 -7.668 -2.066 1.00 0.00 C ATOM 0 H MET A 25 -0.711 -9.042 1.164 1.00 0.00 H new ATOM 0 HA MET A 25 -1.090 -6.868 3.055 1.00 0.00 H new ATOM 0 HB2 MET A 25 -2.328 -7.350 0.318 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.305 -5.837 1.202 1.00 0.00 H new ATOM 0 HG2 MET A 25 -0.568 -5.496 -0.277 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.306 -6.115 1.110 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.403 -8.621 -2.145 1.00 0.00 H new ATOM 0 HE2 MET A 25 -1.604 -6.866 -1.924 1.00 0.00 H new ATOM 0 HE3 MET A 25 -0.313 -7.488 -2.980 1.00 0.00 H new ATOM 345 N THR A 26 -3.051 -7.982 4.184 1.00 0.00 N ATOM 346 CA THR A 26 -4.302 -8.367 4.826 1.00 0.00 C ATOM 347 C THR A 26 -5.498 -7.740 4.119 1.00 0.00 C ATOM 348 O THR A 26 -6.530 -8.385 3.933 1.00 0.00 O ATOM 349 CB THR A 26 -4.321 -7.954 6.309 1.00 0.00 C ATOM 350 OG1 THR A 26 -5.558 -8.353 6.912 1.00 0.00 O ATOM 351 CG2 THR A 26 -4.143 -6.450 6.455 1.00 0.00 C ATOM 0 H THR A 26 -2.295 -7.759 4.832 1.00 0.00 H new ATOM 0 HA THR A 26 -4.372 -9.453 4.758 1.00 0.00 H new ATOM 0 HB THR A 26 -3.493 -8.452 6.813 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.562 -8.088 7.856 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.160 -6.182 7.512 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.189 -6.153 6.021 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.953 -5.936 5.938 1.00 0.00 H new ATOM 359 N ASP A 27 -5.353 -6.478 3.727 1.00 0.00 N ATOM 360 CA ASP A 27 -6.422 -5.765 3.039 1.00 0.00 C ATOM 361 C ASP A 27 -5.883 -5.022 1.820 1.00 0.00 C ATOM 362 O ASP A 27 -5.587 -3.830 1.889 1.00 0.00 O ATOM 363 CB ASP A 27 -7.103 -4.781 3.991 1.00 0.00 C ATOM 364 CG ASP A 27 -8.134 -5.452 4.877 1.00 0.00 C ATOM 365 OD1 ASP A 27 -7.754 -5.949 5.959 1.00 0.00 O ATOM 366 OD2 ASP A 27 -9.320 -5.480 4.491 1.00 0.00 O ATOM 0 H ASP A 27 -4.506 -5.929 3.874 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.155 -6.498 2.701 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.348 -4.302 4.615 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.584 -3.993 3.411 1.00 0.00 H new ATOM 371 N ALA A 28 -5.757 -5.736 0.706 1.00 0.00 N ATOM 372 CA ALA A 28 -5.255 -5.144 -0.528 1.00 0.00 C ATOM 373 C ALA A 28 -5.867 -3.768 -0.766 1.00 0.00 C ATOM 374 O ALA A 28 -7.063 -3.566 -0.557 1.00 0.00 O ATOM 375 CB ALA A 28 -5.539 -6.062 -1.707 1.00 0.00 C ATOM 0 H ALA A 28 -5.996 -6.725 0.633 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.177 -5.020 -0.430 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.159 -5.607 -2.622 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.048 -7.022 -1.547 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.614 -6.215 -1.798 1.00 0.00 H new ATOM 381 N VAL A 29 -5.039 -2.825 -1.204 1.00 0.00 N ATOM 382 CA VAL A 29 -5.500 -1.468 -1.471 1.00 0.00 C ATOM 383 C VAL A 29 -4.914 -0.935 -2.773 1.00 0.00 C ATOM 384 O VAL A 29 -3.697 -0.805 -2.912 1.00 0.00 O ATOM 385 CB VAL A 29 -5.126 -0.512 -0.323 1.00 0.00 C ATOM 386 CG1 VAL A 29 -5.971 -0.799 0.908 1.00 0.00 C ATOM 387 CG2 VAL A 29 -3.644 -0.622 0.000 1.00 0.00 C ATOM 0 H VAL A 29 -4.046 -2.976 -1.381 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.586 -1.514 -1.556 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.330 0.510 -0.643 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -5.692 -0.114 1.708 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.025 -0.664 0.665 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.802 -1.825 1.234 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.397 0.060 0.813 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.412 -1.644 0.301 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.059 -0.362 -0.882 1.00 0.00 H new ATOM 397 N VAL A 30 -5.786 -0.626 -3.726 1.00 0.00 N ATOM 398 CA VAL A 30 -5.356 -0.105 -5.019 1.00 0.00 C ATOM 399 C VAL A 30 -5.379 1.419 -5.032 1.00 0.00 C ATOM 400 O VAL A 30 -6.435 2.036 -4.881 1.00 0.00 O ATOM 401 CB VAL A 30 -6.245 -0.631 -6.161 1.00 0.00 C ATOM 402 CG1 VAL A 30 -5.819 -0.028 -7.491 1.00 0.00 C ATOM 403 CG2 VAL A 30 -6.198 -2.150 -6.216 1.00 0.00 C ATOM 0 H VAL A 30 -6.796 -0.727 -3.628 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.335 -0.452 -5.176 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.274 -0.329 -5.965 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.459 -0.412 -8.286 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.910 1.057 -7.444 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.783 -0.297 -7.697 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.832 -2.504 -7.029 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.172 -2.476 -6.387 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.556 -2.560 -5.271 1.00 0.00 H new ATOM 413 N ILE A 31 -4.209 2.023 -5.214 1.00 0.00 N ATOM 414 CA ILE A 31 -4.095 3.475 -5.248 1.00 0.00 C ATOM 415 C ILE A 31 -4.564 4.031 -6.588 1.00 0.00 C ATOM 416 O ILE A 31 -4.254 3.496 -7.653 1.00 0.00 O ATOM 417 CB ILE A 31 -2.647 3.933 -4.993 1.00 0.00 C ATOM 418 CG1 ILE A 31 -2.635 5.315 -4.336 1.00 0.00 C ATOM 419 CG2 ILE A 31 -1.861 3.953 -6.295 1.00 0.00 C ATOM 420 CD1 ILE A 31 -1.278 5.717 -3.803 1.00 0.00 C ATOM 0 H ILE A 31 -3.326 1.528 -5.340 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.734 3.860 -4.453 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.171 3.225 -4.315 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.966 6.057 -5.063 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.356 5.326 -3.518 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.840 4.279 -6.098 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.846 2.952 -6.726 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.333 4.643 -6.995 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.343 6.707 -3.351 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.954 4.996 -3.052 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.558 5.738 -4.621 1.00 0.00 H new ATOM 432 N PRO A 32 -5.328 5.132 -6.538 1.00 0.00 N ATOM 433 CA PRO A 32 -5.854 5.787 -7.740 1.00 0.00 C ATOM 434 C PRO A 32 -4.760 6.466 -8.556 1.00 0.00 C ATOM 435 O PRO A 32 -4.646 6.248 -9.763 1.00 0.00 O ATOM 436 CB PRO A 32 -6.826 6.828 -7.179 1.00 0.00 C ATOM 437 CG PRO A 32 -6.327 7.113 -5.805 1.00 0.00 C ATOM 438 CD PRO A 32 -5.738 5.823 -5.303 1.00 0.00 C ATOM 0 HA PRO A 32 -6.317 5.075 -8.423 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -6.836 7.730 -7.791 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -7.846 6.445 -7.158 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.578 7.905 -5.818 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.137 7.450 -5.158 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.890 5.999 -4.641 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.467 5.241 -4.740 1.00 0.00 H new ATOM 446 N CYS A 33 -3.955 7.288 -7.891 1.00 0.00 N ATOM 447 CA CYS A 33 -2.869 7.999 -8.554 1.00 0.00 C ATOM 448 C CYS A 33 -2.328 7.190 -9.729 1.00 0.00 C ATOM 449 O CYS A 33 -2.238 7.689 -10.852 1.00 0.00 O ATOM 450 CB CYS A 33 -1.743 8.293 -7.562 1.00 0.00 C ATOM 451 SG CYS A 33 -1.151 6.830 -6.653 1.00 0.00 S ATOM 0 H CYS A 33 -4.035 7.478 -6.892 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.264 8.941 -8.934 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.905 8.736 -8.101 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.090 9.037 -6.845 1.00 0.00 H new ATOM 456 N CYS A 34 -1.968 5.939 -9.464 1.00 0.00 N ATOM 457 CA CYS A 34 -1.436 5.060 -10.497 1.00 0.00 C ATOM 458 C CYS A 34 -2.077 3.677 -10.420 1.00 0.00 C ATOM 459 O CYS A 34 -2.671 3.201 -11.387 1.00 0.00 O ATOM 460 CB CYS A 34 0.083 4.937 -10.359 1.00 0.00 C ATOM 461 SG CYS A 34 0.648 4.557 -8.670 1.00 0.00 S ATOM 0 H CYS A 34 -2.035 5.511 -8.541 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.673 5.497 -11.467 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.436 4.157 -11.033 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.543 5.870 -10.683 1.00 0.00 H new ATOM 466 N GLY A 35 -1.954 3.038 -9.260 1.00 0.00 N ATOM 467 CA GLY A 35 -2.528 1.717 -9.077 1.00 0.00 C ATOM 468 C GLY A 35 -1.492 0.688 -8.672 1.00 0.00 C ATOM 469 O GLY A 35 -0.717 0.216 -9.504 1.00 0.00 O ATOM 0 H GLY A 35 -1.468 3.411 -8.445 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.306 1.764 -8.315 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.008 1.401 -10.003 1.00 0.00 H new ATOM 473 N ASN A 36 -1.477 0.338 -7.390 1.00 0.00 N ATOM 474 CA ASN A 36 -0.526 -0.641 -6.876 1.00 0.00 C ATOM 475 C ASN A 36 -1.055 -1.295 -5.602 1.00 0.00 C ATOM 476 O ASN A 36 -1.963 -0.774 -4.956 1.00 0.00 O ATOM 477 CB ASN A 36 0.823 0.024 -6.599 1.00 0.00 C ATOM 478 CG ASN A 36 1.651 0.199 -7.856 1.00 0.00 C ATOM 479 OD1 ASN A 36 1.652 1.411 -8.400 1.00 0.00 O flip ATOM 480 ND2 ASN A 36 2.281 -0.744 -8.335 1.00 0.00 N flip ATOM 0 H ASN A 36 -2.112 0.718 -6.688 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.393 -1.414 -7.633 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.657 0.998 -6.138 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.381 -0.577 -5.881 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.252 -1.658 -7.884 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.832 -0.611 -9.183 1.00 0.00 H new ATOM 487 N SER A 37 -0.479 -2.440 -5.249 1.00 0.00 N ATOM 488 CA SER A 37 -0.893 -3.167 -4.055 1.00 0.00 C ATOM 489 C SER A 37 0.051 -2.884 -2.891 1.00 0.00 C ATOM 490 O SER A 37 1.265 -3.053 -3.006 1.00 0.00 O ATOM 491 CB SER A 37 -0.936 -4.670 -4.337 1.00 0.00 C ATOM 492 OG SER A 37 -2.207 -5.062 -4.825 1.00 0.00 O ATOM 0 H SER A 37 0.275 -2.884 -5.773 1.00 0.00 H new ATOM 0 HA SER A 37 -1.892 -2.827 -3.781 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.168 -4.928 -5.066 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.708 -5.221 -3.425 1.00 0.00 H new ATOM 0 HG SER A 37 -2.207 -6.026 -4.999 1.00 0.00 H new ATOM 498 N TYR A 38 -0.516 -2.451 -1.770 1.00 0.00 N ATOM 499 CA TYR A 38 0.275 -2.140 -0.584 1.00 0.00 C ATOM 500 C TYR A 38 -0.490 -2.493 0.688 1.00 0.00 C ATOM 501 O TYR A 38 -1.719 -2.426 0.726 1.00 0.00 O ATOM 502 CB TYR A 38 0.653 -0.659 -0.571 1.00 0.00 C ATOM 503 CG TYR A 38 1.526 -0.247 -1.736 1.00 0.00 C ATOM 504 CD1 TYR A 38 2.806 -0.766 -1.888 1.00 0.00 C ATOM 505 CD2 TYR A 38 1.071 0.662 -2.683 1.00 0.00 C ATOM 506 CE1 TYR A 38 3.606 -0.391 -2.949 1.00 0.00 C ATOM 507 CE2 TYR A 38 1.864 1.041 -3.748 1.00 0.00 C ATOM 508 CZ TYR A 38 3.131 0.513 -3.877 1.00 0.00 C ATOM 509 OH TYR A 38 3.926 0.886 -4.936 1.00 0.00 O ATOM 0 H TYR A 38 -1.520 -2.307 -1.657 1.00 0.00 H new ATOM 0 HA TYR A 38 1.185 -2.739 -0.618 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.258 -0.060 -0.580 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.173 -0.433 0.360 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.181 -1.474 -1.164 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.080 1.079 -2.584 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.599 -0.803 -3.052 1.00 0.00 H new ATOM 0 HE2 TYR A 38 1.494 1.747 -4.476 1.00 0.00 H new ATOM 0 HH TYR A 38 3.723 1.811 -5.188 1.00 0.00 H new ATOM 519 N CYS A 39 0.245 -2.867 1.728 1.00 0.00 N ATOM 520 CA CYS A 39 -0.361 -3.230 3.003 1.00 0.00 C ATOM 521 C CYS A 39 -1.155 -2.062 3.580 1.00 0.00 C ATOM 522 O CYS A 39 -0.699 -0.919 3.563 1.00 0.00 O ATOM 523 CB CYS A 39 0.716 -3.670 3.998 1.00 0.00 C ATOM 524 SG CYS A 39 1.827 -4.967 3.366 1.00 0.00 S ATOM 0 H CYS A 39 1.263 -2.927 1.713 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.045 -4.060 2.828 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.312 -2.802 4.280 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.232 -4.032 4.905 1.00 0.00 H new ATOM 529 N ASP A 40 -2.346 -2.358 4.091 1.00 0.00 N ATOM 530 CA ASP A 40 -3.204 -1.334 4.674 1.00 0.00 C ATOM 531 C ASP A 40 -2.373 -0.276 5.395 1.00 0.00 C ATOM 532 O ASP A 40 -2.723 0.904 5.400 1.00 0.00 O ATOM 533 CB ASP A 40 -4.202 -1.966 5.645 1.00 0.00 C ATOM 534 CG ASP A 40 -4.593 -1.025 6.768 1.00 0.00 C ATOM 535 OD1 ASP A 40 -4.726 0.188 6.506 1.00 0.00 O ATOM 536 OD2 ASP A 40 -4.768 -1.502 7.908 1.00 0.00 O ATOM 0 H ASP A 40 -2.738 -3.299 4.113 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.753 -0.851 3.866 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.096 -2.266 5.098 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.768 -2.872 6.068 1.00 0.00 H new ATOM 541 N GLU A 41 -1.274 -0.707 6.005 1.00 0.00 N ATOM 542 CA GLU A 41 -0.397 0.203 6.730 1.00 0.00 C ATOM 543 C GLU A 41 0.674 0.779 5.807 1.00 0.00 C ATOM 544 O GLU A 41 0.903 1.988 5.783 1.00 0.00 O ATOM 545 CB GLU A 41 0.265 -0.520 7.907 1.00 0.00 C ATOM 546 CG GLU A 41 1.110 -1.713 7.491 1.00 0.00 C ATOM 547 CD GLU A 41 2.530 -1.323 7.129 1.00 0.00 C ATOM 548 OE1 GLU A 41 2.979 -0.243 7.568 1.00 0.00 O ATOM 549 OE2 GLU A 41 3.192 -2.098 6.407 1.00 0.00 O ATOM 0 H GLU A 41 -0.970 -1.681 6.011 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.004 1.024 7.111 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.892 0.187 8.450 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.508 -0.856 8.597 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.132 -2.439 8.304 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.643 -2.204 6.637 1.00 0.00 H new ATOM 556 N CYS A 42 1.327 -0.096 5.049 1.00 0.00 N ATOM 557 CA CYS A 42 2.372 0.324 4.125 1.00 0.00 C ATOM 558 C CYS A 42 1.990 1.624 3.423 1.00 0.00 C ATOM 559 O CYS A 42 2.663 2.643 3.575 1.00 0.00 O ATOM 560 CB CYS A 42 2.633 -0.770 3.087 1.00 0.00 C ATOM 561 SG CYS A 42 3.983 -1.910 3.530 1.00 0.00 S ATOM 0 H CYS A 42 1.150 -1.101 5.057 1.00 0.00 H new ATOM 0 HA CYS A 42 3.282 0.497 4.700 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.718 -1.345 2.944 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.867 -0.301 2.131 1.00 0.00 H new ATOM 566 N ILE A 43 0.905 1.580 2.658 1.00 0.00 N ATOM 567 CA ILE A 43 0.433 2.755 1.936 1.00 0.00 C ATOM 568 C ILE A 43 0.106 3.895 2.894 1.00 0.00 C ATOM 569 O ILE A 43 0.431 5.052 2.631 1.00 0.00 O ATOM 570 CB ILE A 43 -0.816 2.433 1.093 1.00 0.00 C ATOM 571 CG1 ILE A 43 -1.175 3.622 0.200 1.00 0.00 C ATOM 572 CG2 ILE A 43 -1.985 2.070 1.996 1.00 0.00 C ATOM 573 CD1 ILE A 43 -0.176 3.867 -0.909 1.00 0.00 C ATOM 0 H ILE A 43 0.336 0.744 2.522 1.00 0.00 H new ATOM 0 HA ILE A 43 1.241 3.063 1.272 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.595 1.577 0.455 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.158 3.453 -0.239 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.250 4.519 0.815 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.860 1.845 1.386 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.725 1.196 2.594 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.209 2.908 2.656 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.494 4.724 -1.502 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.805 4.068 -0.478 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.118 2.986 -1.548 1.00 0.00 H new ATOM 585 N ARG A 44 -0.538 3.558 4.006 1.00 0.00 N ATOM 586 CA ARG A 44 -0.909 4.553 5.006 1.00 0.00 C ATOM 587 C ARG A 44 0.301 5.387 5.417 1.00 0.00 C ATOM 588 O ARG A 44 0.257 6.618 5.399 1.00 0.00 O ATOM 589 CB ARG A 44 -1.516 3.873 6.234 1.00 0.00 C ATOM 590 CG ARG A 44 -2.403 4.789 7.062 1.00 0.00 C ATOM 591 CD ARG A 44 -2.926 4.084 8.304 1.00 0.00 C ATOM 592 NE ARG A 44 -4.176 3.375 8.044 1.00 0.00 N ATOM 593 CZ ARG A 44 -5.373 3.949 8.100 1.00 0.00 C ATOM 594 NH1 ARG A 44 -5.480 5.235 8.404 1.00 0.00 N ATOM 595 NH2 ARG A 44 -6.464 3.236 7.851 1.00 0.00 N ATOM 0 H ARG A 44 -0.814 2.604 4.238 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.652 5.216 4.564 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.100 3.011 5.910 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.711 3.494 6.864 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.840 5.675 7.355 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.242 5.131 6.456 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.177 3.378 8.663 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.082 4.815 9.097 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.127 2.384 7.806 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.643 5.785 8.595 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.400 5.674 8.447 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.384 2.247 7.616 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.383 3.677 7.894 1.00 0.00 H new ATOM 609 N THR A 45 1.382 4.708 5.791 1.00 0.00 N ATOM 610 CA THR A 45 2.603 5.385 6.209 1.00 0.00 C ATOM 611 C THR A 45 3.219 6.168 5.057 1.00 0.00 C ATOM 612 O THR A 45 3.493 7.361 5.181 1.00 0.00 O ATOM 613 CB THR A 45 3.641 4.385 6.750 1.00 0.00 C ATOM 614 OG1 THR A 45 3.071 3.608 7.808 1.00 0.00 O ATOM 615 CG2 THR A 45 4.878 5.112 7.257 1.00 0.00 C ATOM 0 H THR A 45 1.436 3.690 5.813 1.00 0.00 H new ATOM 0 HA THR A 45 2.326 6.076 7.005 1.00 0.00 H new ATOM 0 HB THR A 45 3.935 3.724 5.934 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.738 2.974 8.144 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.598 4.386 7.635 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.327 5.678 6.441 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.596 5.794 8.059 1.00 0.00 H new ATOM 623 N ALA A 46 3.435 5.490 3.934 1.00 0.00 N ATOM 624 CA ALA A 46 4.018 6.124 2.757 1.00 0.00 C ATOM 625 C ALA A 46 3.532 7.562 2.613 1.00 0.00 C ATOM 626 O ALA A 46 4.318 8.468 2.332 1.00 0.00 O ATOM 627 CB ALA A 46 3.684 5.324 1.507 1.00 0.00 C ATOM 0 H ALA A 46 3.215 4.501 3.814 1.00 0.00 H new ATOM 0 HA ALA A 46 5.101 6.144 2.883 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.125 5.809 0.636 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.085 4.315 1.603 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.602 5.274 1.385 1.00 0.00 H new ATOM 633 N LEU A 47 2.233 7.765 2.804 1.00 0.00 N ATOM 634 CA LEU A 47 1.642 9.095 2.694 1.00 0.00 C ATOM 635 C LEU A 47 2.138 10.005 3.813 1.00 0.00 C ATOM 636 O LEU A 47 2.441 11.178 3.585 1.00 0.00 O ATOM 637 CB LEU A 47 0.116 9.001 2.735 1.00 0.00 C ATOM 638 CG LEU A 47 -0.547 8.314 1.540 1.00 0.00 C ATOM 639 CD1 LEU A 47 -2.003 8.002 1.844 1.00 0.00 C ATOM 640 CD2 LEU A 47 -0.433 9.183 0.295 1.00 0.00 C ATOM 0 H LEU A 47 1.569 7.026 3.036 1.00 0.00 H new ATOM 0 HA LEU A 47 1.948 9.524 1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.171 8.467 3.641 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.288 10.010 2.819 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.028 7.374 1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.458 7.514 0.982 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.061 7.340 2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.536 8.928 2.060 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.910 8.679 -0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.926 10.139 0.472 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.619 9.354 0.066 1.00 0.00 H new ATOM 652 N LEU A 48 2.219 9.458 5.021 1.00 0.00 N ATOM 653 CA LEU A 48 2.680 10.221 6.176 1.00 0.00 C ATOM 654 C LEU A 48 4.140 10.629 6.011 1.00 0.00 C ATOM 655 O LEU A 48 4.468 11.816 6.015 1.00 0.00 O ATOM 656 CB LEU A 48 2.510 9.400 7.455 1.00 0.00 C ATOM 657 CG LEU A 48 1.128 8.785 7.678 1.00 0.00 C ATOM 658 CD1 LEU A 48 1.132 7.897 8.913 1.00 0.00 C ATOM 659 CD2 LEU A 48 0.073 9.874 7.804 1.00 0.00 C ATOM 0 H LEU A 48 1.972 8.490 5.226 1.00 0.00 H new ATOM 0 HA LEU A 48 2.075 11.125 6.248 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.247 8.597 7.448 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.743 10.039 8.307 1.00 0.00 H new ATOM 0 HG LEU A 48 0.882 8.168 6.814 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.140 7.468 9.056 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.859 7.095 8.782 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.400 8.491 9.787 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.904 9.417 7.962 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.314 10.518 8.650 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.052 10.468 6.890 1.00 0.00 H new ATOM 671 N GLU A 49 5.014 9.637 5.865 1.00 0.00 N ATOM 672 CA GLU A 49 6.440 9.894 5.696 1.00 0.00 C ATOM 673 C GLU A 49 6.673 11.095 4.785 1.00 0.00 C ATOM 674 O GLU A 49 7.351 12.051 5.160 1.00 0.00 O ATOM 675 CB GLU A 49 7.139 8.661 5.122 1.00 0.00 C ATOM 676 CG GLU A 49 7.480 7.613 6.167 1.00 0.00 C ATOM 677 CD GLU A 49 8.682 7.995 7.007 1.00 0.00 C ATOM 678 OE1 GLU A 49 8.723 9.143 7.497 1.00 0.00 O ATOM 679 OE2 GLU A 49 9.583 7.146 7.175 1.00 0.00 O ATOM 0 H GLU A 49 4.760 8.649 5.860 1.00 0.00 H new ATOM 0 HA GLU A 49 6.861 10.117 6.676 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.498 8.211 4.364 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.055 8.974 4.621 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.619 7.462 6.819 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.675 6.662 5.672 1.00 0.00 H new ATOM 686 N SER A 50 6.105 11.038 3.585 1.00 0.00 N ATOM 687 CA SER A 50 6.254 12.119 2.616 1.00 0.00 C ATOM 688 C SER A 50 5.672 13.420 3.160 1.00 0.00 C ATOM 689 O SER A 50 4.802 13.408 4.032 1.00 0.00 O ATOM 690 CB SER A 50 5.566 11.750 1.300 1.00 0.00 C ATOM 691 OG SER A 50 6.047 12.549 0.232 1.00 0.00 O ATOM 0 H SER A 50 5.537 10.255 3.260 1.00 0.00 H new ATOM 0 HA SER A 50 7.318 12.266 2.433 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.740 10.697 1.078 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.489 11.881 1.400 1.00 0.00 H new ATOM 0 HG SER A 50 6.907 12.196 -0.079 1.00 0.00 H new ATOM 697 N ASP A 51 6.159 14.541 2.640 1.00 0.00 N ATOM 698 CA ASP A 51 5.688 15.852 3.072 1.00 0.00 C ATOM 699 C ASP A 51 4.328 16.170 2.457 1.00 0.00 C ATOM 700 O ASP A 51 3.409 16.602 3.152 1.00 0.00 O ATOM 701 CB ASP A 51 6.700 16.932 2.689 1.00 0.00 C ATOM 702 CG ASP A 51 7.855 17.016 3.668 1.00 0.00 C ATOM 703 OD1 ASP A 51 8.389 15.952 4.047 1.00 0.00 O ATOM 704 OD2 ASP A 51 8.226 18.145 4.052 1.00 0.00 O ATOM 0 H ASP A 51 6.880 14.568 1.919 1.00 0.00 H new ATOM 0 HA ASP A 51 5.581 15.834 4.157 1.00 0.00 H new ATOM 0 HB2 ASP A 51 7.087 16.726 1.691 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.196 17.898 2.642 1.00 0.00 H new ATOM 709 N GLU A 52 4.210 15.955 1.151 1.00 0.00 N ATOM 710 CA GLU A 52 2.963 16.221 0.444 1.00 0.00 C ATOM 711 C GLU A 52 2.299 14.919 0.004 1.00 0.00 C ATOM 712 O GLU A 52 1.832 14.800 -1.130 1.00 0.00 O ATOM 713 CB GLU A 52 3.222 17.112 -0.774 1.00 0.00 C ATOM 714 CG GLU A 52 3.831 18.459 -0.425 1.00 0.00 C ATOM 715 CD GLU A 52 3.089 19.161 0.697 1.00 0.00 C ATOM 716 OE1 GLU A 52 1.866 18.946 0.824 1.00 0.00 O ATOM 717 OE2 GLU A 52 3.731 19.926 1.446 1.00 0.00 O ATOM 0 H GLU A 52 4.962 15.598 0.561 1.00 0.00 H new ATOM 0 HA GLU A 52 2.290 16.739 1.128 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.887 16.589 -1.461 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.282 17.274 -1.302 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.872 18.319 -0.135 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.829 19.095 -1.310 1.00 0.00 H new ATOM 724 N HIS A 53 2.259 13.946 0.908 1.00 0.00 N ATOM 725 CA HIS A 53 1.652 12.654 0.615 1.00 0.00 C ATOM 726 C HIS A 53 2.032 12.180 -0.785 1.00 0.00 C ATOM 727 O HIS A 53 1.191 11.675 -1.531 1.00 0.00 O ATOM 728 CB HIS A 53 0.131 12.740 0.742 1.00 0.00 C ATOM 729 CG HIS A 53 -0.358 12.660 2.155 1.00 0.00 C ATOM 730 ND1 HIS A 53 -1.483 11.953 2.524 1.00 0.00 N ATOM 731 CD2 HIS A 53 0.133 13.203 3.294 1.00 0.00 C ATOM 732 CE1 HIS A 53 -1.663 12.065 3.828 1.00 0.00 C ATOM 733 NE2 HIS A 53 -0.696 12.818 4.319 1.00 0.00 N ATOM 0 H HIS A 53 2.640 14.028 1.850 1.00 0.00 H new ATOM 0 HA HIS A 53 2.029 11.931 1.339 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.210 13.677 0.301 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.320 11.933 0.164 1.00 0.00 H new ATOM 0 HD2 HIS A 53 1.013 13.823 3.380 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -2.465 11.617 4.396 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -0.583 13.072 5.300 1.00 0.00 H new ATOM 741 N THR A 54 3.302 12.349 -1.138 1.00 0.00 N ATOM 742 CA THR A 54 3.793 11.941 -2.448 1.00 0.00 C ATOM 743 C THR A 54 3.801 10.423 -2.584 1.00 0.00 C ATOM 744 O THR A 54 4.230 9.710 -1.676 1.00 0.00 O ATOM 745 CB THR A 54 5.213 12.477 -2.708 1.00 0.00 C ATOM 746 OG1 THR A 54 5.253 13.890 -2.476 1.00 0.00 O ATOM 747 CG2 THR A 54 5.651 12.179 -4.134 1.00 0.00 C ATOM 0 H THR A 54 4.010 12.766 -0.534 1.00 0.00 H new ATOM 0 HA THR A 54 3.113 12.365 -3.186 1.00 0.00 H new ATOM 0 HB THR A 54 5.898 11.977 -2.023 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.512 14.062 -1.547 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.657 12.567 -4.294 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.647 11.101 -4.298 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.963 12.655 -4.833 1.00 0.00 H new ATOM 755 N CYS A 55 3.326 9.932 -3.724 1.00 0.00 N ATOM 756 CA CYS A 55 3.279 8.498 -3.979 1.00 0.00 C ATOM 757 C CYS A 55 4.669 7.957 -4.301 1.00 0.00 C ATOM 758 O CYS A 55 5.403 8.508 -5.123 1.00 0.00 O ATOM 759 CB CYS A 55 2.323 8.196 -5.134 1.00 0.00 C ATOM 760 SG CYS A 55 2.285 6.443 -5.628 1.00 0.00 S ATOM 0 H CYS A 55 2.968 10.507 -4.486 1.00 0.00 H new ATOM 0 HA CYS A 55 2.916 8.005 -3.077 1.00 0.00 H new ATOM 0 HB2 CYS A 55 1.317 8.504 -4.849 1.00 0.00 H new ATOM 0 HB3 CYS A 55 2.609 8.799 -5.996 1.00 0.00 H new ATOM 765 N PRO A 56 5.042 6.852 -3.638 1.00 0.00 N ATOM 766 CA PRO A 56 6.346 6.213 -3.837 1.00 0.00 C ATOM 767 C PRO A 56 6.463 5.550 -5.206 1.00 0.00 C ATOM 768 O PRO A 56 7.416 4.818 -5.473 1.00 0.00 O ATOM 769 CB PRO A 56 6.397 5.159 -2.728 1.00 0.00 C ATOM 770 CG PRO A 56 4.969 4.857 -2.426 1.00 0.00 C ATOM 771 CD PRO A 56 4.219 6.142 -2.645 1.00 0.00 C ATOM 0 HA PRO A 56 7.163 6.933 -3.798 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.930 4.266 -3.055 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.917 5.536 -1.847 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.591 4.069 -3.077 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.853 4.507 -1.400 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.210 5.960 -3.015 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.122 6.713 -1.722 1.00 0.00 H new ATOM 779 N THR A 57 5.489 5.813 -6.071 1.00 0.00 N ATOM 780 CA THR A 57 5.484 5.242 -7.413 1.00 0.00 C ATOM 781 C THR A 57 5.428 6.334 -8.475 1.00 0.00 C ATOM 782 O THR A 57 6.353 6.484 -9.274 1.00 0.00 O ATOM 783 CB THR A 57 4.291 4.288 -7.612 1.00 0.00 C ATOM 784 OG1 THR A 57 4.201 3.378 -6.509 1.00 0.00 O ATOM 785 CG2 THR A 57 4.433 3.507 -8.910 1.00 0.00 C ATOM 0 H THR A 57 4.693 6.418 -5.867 1.00 0.00 H new ATOM 0 HA THR A 57 6.412 4.681 -7.521 1.00 0.00 H new ATOM 0 HB THR A 57 3.381 4.886 -7.664 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.663 3.781 -5.796 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.579 2.840 -9.029 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.471 4.201 -9.750 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.351 2.920 -8.883 1.00 0.00 H new ATOM 793 N CYS A 58 4.340 7.096 -8.478 1.00 0.00 N ATOM 794 CA CYS A 58 4.165 8.176 -9.441 1.00 0.00 C ATOM 795 C CYS A 58 4.179 9.534 -8.746 1.00 0.00 C ATOM 796 O CYS A 58 3.911 9.633 -7.548 1.00 0.00 O ATOM 797 CB CYS A 58 2.852 7.997 -10.207 1.00 0.00 C ATOM 798 SG CYS A 58 1.368 8.010 -9.151 1.00 0.00 S ATOM 0 H CYS A 58 3.565 6.985 -7.824 1.00 0.00 H new ATOM 0 HA CYS A 58 4.997 8.139 -10.144 1.00 0.00 H new ATOM 0 HB2 CYS A 58 2.765 8.792 -10.948 1.00 0.00 H new ATOM 0 HB3 CYS A 58 2.888 7.054 -10.753 1.00 0.00 H new ATOM 803 N HIS A 59 4.493 10.578 -9.505 1.00 0.00 N ATOM 804 CA HIS A 59 4.542 11.931 -8.963 1.00 0.00 C ATOM 805 C HIS A 59 3.137 12.454 -8.679 1.00 0.00 C ATOM 806 O HIS A 59 2.450 12.933 -9.581 1.00 0.00 O ATOM 807 CB HIS A 59 5.260 12.868 -9.934 1.00 0.00 C ATOM 808 CG HIS A 59 5.155 14.315 -9.561 1.00 0.00 C ATOM 809 ND1 HIS A 59 4.710 15.287 -10.432 1.00 0.00 N ATOM 810 CD2 HIS A 59 5.438 14.952 -8.401 1.00 0.00 C ATOM 811 CE1 HIS A 59 4.726 16.460 -9.825 1.00 0.00 C ATOM 812 NE2 HIS A 59 5.163 16.284 -8.591 1.00 0.00 N ATOM 0 H HIS A 59 4.718 10.513 -10.498 1.00 0.00 H new ATOM 0 HA HIS A 59 5.096 11.899 -8.025 1.00 0.00 H new ATOM 0 HB2 HIS A 59 6.313 12.590 -9.983 1.00 0.00 H new ATOM 0 HB3 HIS A 59 4.847 12.728 -10.933 1.00 0.00 H new ATOM 0 HD2 HIS A 59 5.811 14.498 -7.495 1.00 0.00 H new ATOM 0 HE1 HIS A 59 4.432 17.402 -10.263 1.00 0.00 H new ATOM 0 HE2 HIS A 59 5.278 17.018 -7.892 1.00 0.00 H new ATOM 820 N GLN A 60 2.717 12.357 -7.422 1.00 0.00 N ATOM 821 CA GLN A 60 1.393 12.818 -7.021 1.00 0.00 C ATOM 822 C GLN A 60 1.492 13.849 -5.902 1.00 0.00 C ATOM 823 O GLN A 60 2.550 14.027 -5.301 1.00 0.00 O ATOM 824 CB GLN A 60 0.533 11.637 -6.569 1.00 0.00 C ATOM 825 CG GLN A 60 -0.947 11.813 -6.866 1.00 0.00 C ATOM 826 CD GLN A 60 -1.229 11.993 -8.344 1.00 0.00 C ATOM 827 OE1 GLN A 60 -1.492 11.027 -9.060 1.00 0.00 O ATOM 828 NE2 GLN A 60 -1.175 13.235 -8.809 1.00 0.00 N ATOM 0 H GLN A 60 3.274 11.963 -6.664 1.00 0.00 H new ATOM 0 HA GLN A 60 0.923 13.290 -7.884 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.888 10.731 -7.060 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.665 11.492 -5.497 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.493 10.944 -6.499 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.323 12.679 -6.320 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.953 14.006 -8.179 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.355 13.418 -9.796 1.00 0.00 H new ATOM 837 N ASN A 61 0.382 14.525 -5.628 1.00 0.00 N ATOM 838 CA ASN A 61 0.343 15.539 -4.580 1.00 0.00 C ATOM 839 C ASN A 61 -0.987 15.500 -3.833 1.00 0.00 C ATOM 840 O ASN A 61 -2.026 15.879 -4.373 1.00 0.00 O ATOM 841 CB ASN A 61 0.563 16.929 -5.180 1.00 0.00 C ATOM 842 CG ASN A 61 1.504 16.904 -6.369 1.00 0.00 C ATOM 843 OD1 ASN A 61 2.711 17.094 -6.223 1.00 0.00 O ATOM 844 ND2 ASN A 61 0.953 16.668 -7.554 1.00 0.00 N ATOM 0 H ASN A 61 -0.503 14.389 -6.117 1.00 0.00 H new ATOM 0 HA ASN A 61 1.143 15.325 -3.871 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.396 17.344 -5.488 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.967 17.592 -4.415 1.00 0.00 H new ATOM 0 HD21 ASN A 61 1.536 16.639 -8.391 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.053 16.516 -7.628 1.00 0.00 H new ATOM 851 N ASP A 62 -0.946 15.040 -2.588 1.00 0.00 N ATOM 852 CA ASP A 62 -2.147 14.952 -1.765 1.00 0.00 C ATOM 853 C ASP A 62 -3.095 13.883 -2.299 1.00 0.00 C ATOM 854 O ASP A 62 -4.281 14.139 -2.510 1.00 0.00 O ATOM 855 CB ASP A 62 -2.859 16.305 -1.718 1.00 0.00 C ATOM 856 CG ASP A 62 -1.930 17.435 -1.318 1.00 0.00 C ATOM 857 OD1 ASP A 62 -0.924 17.160 -0.632 1.00 0.00 O ATOM 858 OD2 ASP A 62 -2.209 18.594 -1.691 1.00 0.00 O ATOM 0 H ASP A 62 -0.094 14.722 -2.126 1.00 0.00 H new ATOM 0 HA ASP A 62 -1.846 14.673 -0.755 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -3.288 16.521 -2.696 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.687 16.252 -1.011 1.00 0.00 H new ATOM 863 N VAL A 63 -2.564 12.684 -2.517 1.00 0.00 N ATOM 864 CA VAL A 63 -3.362 11.576 -3.027 1.00 0.00 C ATOM 865 C VAL A 63 -4.568 11.309 -2.132 1.00 0.00 C ATOM 866 O VAL A 63 -4.470 11.375 -0.906 1.00 0.00 O ATOM 867 CB VAL A 63 -2.526 10.287 -3.140 1.00 0.00 C ATOM 868 CG1 VAL A 63 -3.360 9.159 -3.728 1.00 0.00 C ATOM 869 CG2 VAL A 63 -1.280 10.533 -3.978 1.00 0.00 C ATOM 0 H VAL A 63 -1.584 12.455 -2.348 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.706 11.865 -4.020 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.211 9.990 -2.140 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.753 8.257 -3.800 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.219 8.968 -3.084 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.707 9.443 -4.721 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.701 9.612 -4.048 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.572 10.855 -4.978 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.674 11.308 -3.510 1.00 0.00 H new ATOM 879 N SER A 64 -5.704 11.009 -2.752 1.00 0.00 N ATOM 880 CA SER A 64 -6.930 10.734 -2.012 1.00 0.00 C ATOM 881 C SER A 64 -6.812 9.432 -1.227 1.00 0.00 C ATOM 882 O SER A 64 -6.751 8.340 -1.792 1.00 0.00 O ATOM 883 CB SER A 64 -8.122 10.661 -2.969 1.00 0.00 C ATOM 884 OG SER A 64 -7.866 9.761 -4.034 1.00 0.00 O ATOM 0 H SER A 64 -5.801 10.950 -3.766 1.00 0.00 H new ATOM 0 HA SER A 64 -7.089 11.549 -1.306 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.011 10.342 -2.424 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.332 11.653 -3.369 1.00 0.00 H new ATOM 0 HG SER A 64 -8.643 9.731 -4.631 1.00 0.00 H new ATOM 890 N PRO A 65 -6.777 9.549 0.108 1.00 0.00 N ATOM 891 CA PRO A 65 -6.666 8.391 1.001 1.00 0.00 C ATOM 892 C PRO A 65 -7.933 7.542 1.010 1.00 0.00 C ATOM 893 O PRO A 65 -7.867 6.312 1.007 1.00 0.00 O ATOM 894 CB PRO A 65 -6.437 9.023 2.376 1.00 0.00 C ATOM 895 CG PRO A 65 -7.045 10.381 2.275 1.00 0.00 C ATOM 896 CD PRO A 65 -6.845 10.819 0.850 1.00 0.00 C ATOM 0 HA PRO A 65 -5.871 7.713 0.691 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -6.908 8.436 3.165 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -5.375 9.081 2.613 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -8.104 10.354 2.530 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -6.568 11.075 2.967 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -7.668 11.444 0.503 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -5.931 11.402 0.733 1.00 0.00 H new ATOM 904 N ASP A 66 -9.083 8.205 1.021 1.00 0.00 N ATOM 905 CA ASP A 66 -10.366 7.511 1.028 1.00 0.00 C ATOM 906 C ASP A 66 -10.758 7.080 -0.381 1.00 0.00 C ATOM 907 O ASP A 66 -11.933 7.112 -0.747 1.00 0.00 O ATOM 908 CB ASP A 66 -11.453 8.409 1.622 1.00 0.00 C ATOM 909 CG ASP A 66 -12.532 7.618 2.335 1.00 0.00 C ATOM 910 OD1 ASP A 66 -12.281 7.164 3.471 1.00 0.00 O ATOM 911 OD2 ASP A 66 -13.627 7.456 1.758 1.00 0.00 O ATOM 0 H ASP A 66 -9.154 9.223 1.025 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.265 6.619 1.646 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.998 9.110 2.322 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.906 9.001 0.827 1.00 0.00 H new ATOM 916 N ALA A 67 -9.767 6.676 -1.169 1.00 0.00 N ATOM 917 CA ALA A 67 -10.008 6.237 -2.537 1.00 0.00 C ATOM 918 C ALA A 67 -9.271 4.937 -2.836 1.00 0.00 C ATOM 919 O ALA A 67 -8.835 4.702 -3.964 1.00 0.00 O ATOM 920 CB ALA A 67 -9.590 7.321 -3.521 1.00 0.00 C ATOM 0 H ALA A 67 -8.789 6.644 -0.882 1.00 0.00 H new ATOM 0 HA ALA A 67 -11.076 6.052 -2.649 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.776 6.979 -4.539 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -10.166 8.226 -3.331 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.528 7.534 -3.398 1.00 0.00 H new ATOM 926 N LEU A 68 -9.131 4.094 -1.817 1.00 0.00 N ATOM 927 CA LEU A 68 -8.445 2.816 -1.970 1.00 0.00 C ATOM 928 C LEU A 68 -9.419 1.653 -1.820 1.00 0.00 C ATOM 929 O LEU A 68 -10.474 1.790 -1.201 1.00 0.00 O ATOM 930 CB LEU A 68 -7.321 2.692 -0.939 1.00 0.00 C ATOM 931 CG LEU A 68 -6.341 3.864 -0.870 1.00 0.00 C ATOM 932 CD1 LEU A 68 -5.518 3.795 0.407 1.00 0.00 C ATOM 933 CD2 LEU A 68 -5.434 3.874 -2.093 1.00 0.00 C ATOM 0 H LEU A 68 -9.484 4.273 -0.877 1.00 0.00 H new ATOM 0 HA LEU A 68 -8.017 2.779 -2.972 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.771 2.562 0.045 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.757 1.785 -1.154 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.913 4.792 -0.860 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.826 4.636 0.440 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.182 3.837 1.270 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.955 2.862 0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.743 4.715 -2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.869 2.943 -2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.039 3.972 -2.994 1.00 0.00 H new ATOM 945 N SER A 69 -9.058 0.507 -2.389 1.00 0.00 N ATOM 946 CA SER A 69 -9.901 -0.680 -2.320 1.00 0.00 C ATOM 947 C SER A 69 -9.837 -1.312 -0.933 1.00 0.00 C ATOM 948 O SER A 69 -8.811 -1.864 -0.537 1.00 0.00 O ATOM 949 CB SER A 69 -9.472 -1.699 -3.377 1.00 0.00 C ATOM 950 OG SER A 69 -10.143 -2.934 -3.199 1.00 0.00 O ATOM 0 H SER A 69 -8.187 0.376 -2.903 1.00 0.00 H new ATOM 0 HA SER A 69 -10.929 -0.376 -2.515 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.684 -1.307 -4.372 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.395 -1.856 -3.319 1.00 0.00 H new ATOM 0 HG SER A 69 -9.852 -3.567 -3.888 1.00 0.00 H new ATOM 956 N GLY A 70 -10.942 -1.227 -0.199 1.00 0.00 N ATOM 957 CA GLY A 70 -10.991 -1.795 1.136 1.00 0.00 C ATOM 958 C GLY A 70 -12.297 -1.497 1.845 1.00 0.00 C ATOM 959 O GLY A 70 -13.373 -1.522 1.246 1.00 0.00 O ATOM 0 H GLY A 70 -11.804 -0.775 -0.505 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.853 -2.874 1.074 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -10.163 -1.401 1.726 1.00 0.00 H new ATOM 963 N PRO A 71 -12.213 -1.207 3.152 1.00 0.00 N ATOM 964 CA PRO A 71 -13.389 -0.899 3.972 1.00 0.00 C ATOM 965 C PRO A 71 -14.008 0.448 3.613 1.00 0.00 C ATOM 966 O PRO A 71 -14.970 0.887 4.244 1.00 0.00 O ATOM 967 CB PRO A 71 -12.829 -0.868 5.396 1.00 0.00 C ATOM 968 CG PRO A 71 -11.388 -0.533 5.230 1.00 0.00 C ATOM 969 CD PRO A 71 -10.964 -1.159 3.930 1.00 0.00 C ATOM 0 HA PRO A 71 -14.188 -1.626 3.829 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -13.341 -0.124 6.006 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.957 -1.830 5.893 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.238 0.546 5.210 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -10.799 -0.922 6.061 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -10.200 -0.565 3.428 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.546 -2.154 4.081 1.00 0.00 H new ATOM 977 N SER A 72 -13.451 1.098 2.597 1.00 0.00 N ATOM 978 CA SER A 72 -13.948 2.396 2.156 1.00 0.00 C ATOM 979 C SER A 72 -15.343 2.269 1.552 1.00 0.00 C ATOM 980 O SER A 72 -16.280 2.942 1.978 1.00 0.00 O ATOM 981 CB SER A 72 -12.991 3.012 1.134 1.00 0.00 C ATOM 982 OG SER A 72 -11.661 3.024 1.623 1.00 0.00 O ATOM 0 H SER A 72 -12.655 0.747 2.064 1.00 0.00 H new ATOM 0 HA SER A 72 -14.007 3.049 3.027 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.034 2.446 0.203 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.306 4.030 0.903 1.00 0.00 H new ATOM 0 HG SER A 72 -11.054 2.694 0.928 1.00 0.00 H new ATOM 988 N SER A 73 -15.472 1.398 0.556 1.00 0.00 N ATOM 989 CA SER A 73 -16.750 1.183 -0.111 1.00 0.00 C ATOM 990 C SER A 73 -17.804 0.694 0.878 1.00 0.00 C ATOM 991 O SER A 73 -17.518 -0.124 1.752 1.00 0.00 O ATOM 992 CB SER A 73 -16.593 0.172 -1.248 1.00 0.00 C ATOM 993 OG SER A 73 -16.387 -1.136 -0.743 1.00 0.00 O ATOM 0 H SER A 73 -14.706 0.830 0.193 1.00 0.00 H new ATOM 0 HA SER A 73 -17.080 2.136 -0.525 1.00 0.00 H new ATOM 0 HB2 SER A 73 -17.483 0.186 -1.877 1.00 0.00 H new ATOM 0 HB3 SER A 73 -15.752 0.458 -1.880 1.00 0.00 H new ATOM 0 HG SER A 73 -16.291 -1.764 -1.490 1.00 0.00 H new ATOM 999 N GLY A 74 -19.024 1.201 0.732 1.00 0.00 N ATOM 1000 CA GLY A 74 -20.103 0.804 1.619 1.00 0.00 C ATOM 1001 C GLY A 74 -20.967 -0.290 1.028 1.00 0.00 C ATOM 1002 O GLY A 74 -20.512 -0.991 0.124 1.00 0.00 O ATOM 0 H GLY A 74 -19.285 1.879 0.016 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -19.684 0.460 2.565 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -20.724 1.672 1.842 1.00 0.00 H new TER 1006 GLY A 74 HETATM 1007 ZN ZN A 201 3.990 -4.018 2.965 1.00 0.00 ZN HETATM 1008 ZN ZN A 401 1.002 6.481 -7.632 1.00 0.00 ZN