USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 564 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 16 ASN :FLIP amide:sc= -1.64 F(o=-3.1!,f=-1.5) USER MOD Set 1.2: A 23 THR OG1 : rot -64:sc= 0.151 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0651 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN :FLIP amide:sc= -0.703 F(o=-3.3!,f=-0.7) USER MOD Single : A 13 ASN : amide:sc= -0.058 K(o=-0.058,f=-0.83) USER MOD Single : A 18 THR OG1 : rot 82:sc= 0.0966 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -154:sc= 0.071 (180deg=0.00587) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 120:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.0781 X(o=-0.078,f=-0.46) USER MOD Single : A 38 ASN : amide:sc= -4.64! C(o=-4.6!,f=-4.6!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot -62:sc= -0.443 USER MOD Single : A 46 SER OG : rot 117:sc= 0.746 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= -0.0418 (180deg=-0.0418) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 152:sc= -1.72 (180deg=-2.81!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN :FLIP amide:sc= -0.0393 F(o=-1.8!,f=-0.039) USER MOD Single : A 65 THR OG1 : rot 48:sc= 0.0015 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -1.36 K(o=-1.4,f=-4.8!) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -61:sc= 1.04 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.120 34.736 -28.699 1.00 0.00 N ATOM 2 CA GLY A 1 -11.584 34.856 -27.356 1.00 0.00 C ATOM 3 C GLY A 1 -12.551 34.362 -26.299 1.00 0.00 C ATOM 4 O GLY A 1 -13.401 35.116 -25.824 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.421 35.087 -29.384 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.332 33.738 -28.900 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.992 35.297 -28.776 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.655 34.290 -27.287 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.337 35.899 -27.159 1.00 0.00 H new ATOM 8 N SER A 2 -12.424 33.092 -25.930 1.00 0.00 N ATOM 9 CA SER A 2 -13.298 32.496 -24.926 1.00 0.00 C ATOM 10 C SER A 2 -12.546 32.268 -23.618 1.00 0.00 C ATOM 11 O SER A 2 -11.350 31.978 -23.619 1.00 0.00 O ATOM 12 CB SER A 2 -13.868 31.172 -25.437 1.00 0.00 C ATOM 13 OG SER A 2 -12.834 30.300 -25.859 1.00 0.00 O ATOM 0 H SER A 2 -11.724 32.455 -26.311 1.00 0.00 H new ATOM 0 HA SER A 2 -14.119 33.188 -24.737 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.451 30.695 -24.649 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.549 31.362 -26.267 1.00 0.00 H new ATOM 0 HG SER A 2 -13.225 29.460 -26.179 1.00 0.00 H new ATOM 19 N SER A 3 -13.258 32.402 -22.504 1.00 0.00 N ATOM 20 CA SER A 3 -12.658 32.215 -21.187 1.00 0.00 C ATOM 21 C SER A 3 -13.546 31.342 -20.305 1.00 0.00 C ATOM 22 O SER A 3 -14.526 31.815 -19.731 1.00 0.00 O ATOM 23 CB SER A 3 -12.424 33.569 -20.514 1.00 0.00 C ATOM 24 OG SER A 3 -11.412 34.302 -21.182 1.00 0.00 O ATOM 0 H SER A 3 -14.250 32.639 -22.486 1.00 0.00 H new ATOM 0 HA SER A 3 -11.700 31.712 -21.319 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.351 34.142 -20.511 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.140 33.417 -19.473 1.00 0.00 H new ATOM 0 HG SER A 3 -11.282 35.164 -20.734 1.00 0.00 H new ATOM 30 N GLY A 4 -13.194 30.064 -20.203 1.00 0.00 N ATOM 31 CA GLY A 4 -13.969 29.144 -19.390 1.00 0.00 C ATOM 32 C GLY A 4 -13.190 27.896 -19.026 1.00 0.00 C ATOM 33 O GLY A 4 -12.425 27.374 -19.837 1.00 0.00 O ATOM 0 H GLY A 4 -12.387 29.649 -20.668 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.287 29.649 -18.478 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.873 28.860 -19.929 1.00 0.00 H new ATOM 37 N SER A 5 -13.382 27.417 -17.801 1.00 0.00 N ATOM 38 CA SER A 5 -12.687 26.225 -17.329 1.00 0.00 C ATOM 39 C SER A 5 -13.651 25.281 -16.616 1.00 0.00 C ATOM 40 O SER A 5 -14.706 25.698 -16.137 1.00 0.00 O ATOM 41 CB SER A 5 -11.547 26.614 -16.386 1.00 0.00 C ATOM 42 OG SER A 5 -10.953 25.467 -15.804 1.00 0.00 O ATOM 0 H SER A 5 -14.013 27.836 -17.118 1.00 0.00 H new ATOM 0 HA SER A 5 -12.273 25.709 -18.195 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.793 27.179 -16.935 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.927 27.268 -15.601 1.00 0.00 H new ATOM 0 HG SER A 5 -10.226 25.742 -15.207 1.00 0.00 H new ATOM 48 N SER A 6 -13.281 24.006 -16.550 1.00 0.00 N ATOM 49 CA SER A 6 -14.113 23.001 -15.900 1.00 0.00 C ATOM 50 C SER A 6 -13.257 22.016 -15.109 1.00 0.00 C ATOM 51 O SER A 6 -12.121 21.726 -15.481 1.00 0.00 O ATOM 52 CB SER A 6 -14.948 22.250 -16.938 1.00 0.00 C ATOM 53 OG SER A 6 -15.848 21.350 -16.315 1.00 0.00 O ATOM 0 H SER A 6 -12.410 23.645 -16.939 1.00 0.00 H new ATOM 0 HA SER A 6 -14.782 23.512 -15.207 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.505 22.963 -17.546 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.289 21.702 -17.612 1.00 0.00 H new ATOM 0 HG SER A 6 -16.371 20.884 -17.000 1.00 0.00 H new ATOM 59 N GLY A 7 -13.813 21.503 -14.016 1.00 0.00 N ATOM 60 CA GLY A 7 -13.088 20.556 -13.189 1.00 0.00 C ATOM 61 C GLY A 7 -13.563 20.560 -11.750 1.00 0.00 C ATOM 62 O GLY A 7 -13.293 21.501 -11.003 1.00 0.00 O ATOM 0 H GLY A 7 -14.753 21.726 -13.688 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.203 19.554 -13.603 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.024 20.793 -13.218 1.00 0.00 H new ATOM 66 N ARG A 8 -14.273 19.507 -11.359 1.00 0.00 N ATOM 67 CA ARG A 8 -14.789 19.394 -10.000 1.00 0.00 C ATOM 68 C ARG A 8 -14.540 17.998 -9.438 1.00 0.00 C ATOM 69 O ARG A 8 -14.544 17.011 -10.175 1.00 0.00 O ATOM 70 CB ARG A 8 -16.286 19.707 -9.973 1.00 0.00 C ATOM 71 CG ARG A 8 -16.604 21.180 -10.177 1.00 0.00 C ATOM 72 CD ARG A 8 -16.216 22.007 -8.962 1.00 0.00 C ATOM 73 NE ARG A 8 -17.308 22.109 -7.997 1.00 0.00 N ATOM 74 CZ ARG A 8 -18.291 22.997 -8.091 1.00 0.00 C ATOM 75 NH1 ARG A 8 -18.320 23.855 -9.101 1.00 0.00 N ATOM 76 NH2 ARG A 8 -19.249 23.027 -7.174 1.00 0.00 N ATOM 0 H ARG A 8 -14.504 18.719 -11.964 1.00 0.00 H new ATOM 0 HA ARG A 8 -14.262 20.117 -9.377 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -16.784 19.126 -10.749 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -16.699 19.384 -9.018 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -16.074 21.550 -11.055 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -17.669 21.299 -10.375 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -15.347 21.558 -8.480 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -15.921 23.006 -9.283 1.00 0.00 H new ATOM 0 HE ARG A 8 -17.316 21.463 -7.208 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -17.586 23.834 -9.809 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -19.076 24.536 -9.170 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -19.231 22.368 -6.396 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -20.004 23.709 -7.247 1.00 0.00 H new ATOM 90 N TYR A 9 -14.323 17.923 -8.130 1.00 0.00 N ATOM 91 CA TYR A 9 -14.069 16.648 -7.469 1.00 0.00 C ATOM 92 C TYR A 9 -15.261 16.231 -6.614 1.00 0.00 C ATOM 93 O TYR A 9 -15.473 16.735 -5.510 1.00 0.00 O ATOM 94 CB TYR A 9 -12.812 16.740 -6.602 1.00 0.00 C ATOM 95 CG TYR A 9 -11.622 17.333 -7.322 1.00 0.00 C ATOM 96 CD1 TYR A 9 -11.393 18.704 -7.315 1.00 0.00 C ATOM 97 CD2 TYR A 9 -10.726 16.523 -8.009 1.00 0.00 C ATOM 98 CE1 TYR A 9 -10.308 19.250 -7.972 1.00 0.00 C ATOM 99 CE2 TYR A 9 -9.637 17.061 -8.668 1.00 0.00 C ATOM 100 CZ TYR A 9 -9.433 18.425 -8.647 1.00 0.00 C ATOM 101 OH TYR A 9 -8.350 18.965 -9.301 1.00 0.00 O ATOM 0 H TYR A 9 -14.318 18.730 -7.506 1.00 0.00 H new ATOM 0 HA TYR A 9 -13.916 15.893 -8.240 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -13.031 17.344 -5.722 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -12.552 15.743 -6.247 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -12.075 19.353 -6.787 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -10.883 15.455 -8.028 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -10.146 20.318 -7.957 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -8.950 16.417 -9.196 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.833 18.248 -9.725 1.00 0.00 H new ATOM 111 N PRO A 10 -16.060 15.287 -7.133 1.00 0.00 N ATOM 112 CA PRO A 10 -17.244 14.779 -6.434 1.00 0.00 C ATOM 113 C PRO A 10 -16.881 13.939 -5.214 1.00 0.00 C ATOM 114 O PRO A 10 -17.749 13.335 -4.583 1.00 0.00 O ATOM 115 CB PRO A 10 -17.937 13.915 -7.491 1.00 0.00 C ATOM 116 CG PRO A 10 -16.845 13.499 -8.415 1.00 0.00 C ATOM 117 CD PRO A 10 -15.868 14.642 -8.443 1.00 0.00 C ATOM 0 HA PRO A 10 -17.867 15.586 -6.048 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -18.424 13.051 -7.039 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -18.709 14.476 -8.017 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -16.366 12.584 -8.066 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -17.235 13.294 -9.412 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -14.844 14.292 -8.572 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -16.076 15.329 -9.263 1.00 0.00 H new ATOM 125 N THR A 11 -15.593 13.906 -4.886 1.00 0.00 N ATOM 126 CA THR A 11 -15.116 13.140 -3.742 1.00 0.00 C ATOM 127 C THR A 11 -16.173 13.073 -2.645 1.00 0.00 C ATOM 128 O THR A 11 -16.657 14.100 -2.173 1.00 0.00 O ATOM 129 CB THR A 11 -13.826 13.746 -3.159 1.00 0.00 C ATOM 130 OG1 THR A 11 -13.278 12.871 -2.166 1.00 0.00 O ATOM 131 CG2 THR A 11 -14.099 15.111 -2.544 1.00 0.00 C ATOM 0 H THR A 11 -14.862 14.401 -5.397 1.00 0.00 H new ATOM 0 HA THR A 11 -14.906 12.133 -4.102 1.00 0.00 H new ATOM 0 HB THR A 11 -13.109 13.867 -3.971 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.457 13.263 -1.802 1.00 0.00 H new ATOM 0 HG21 THR A 11 -13.173 15.519 -2.139 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.488 15.783 -3.309 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.832 15.009 -1.743 1.00 0.00 H new ATOM 139 N ASN A 12 -16.526 11.856 -2.244 1.00 0.00 N ATOM 140 CA ASN A 12 -17.526 11.655 -1.202 1.00 0.00 C ATOM 141 C ASN A 12 -17.036 10.651 -0.163 1.00 0.00 C ATOM 142 O ASN A 12 -17.180 10.867 1.039 1.00 0.00 O ATOM 143 CB ASN A 12 -18.842 11.170 -1.815 1.00 0.00 C ATOM 144 CG ASN A 12 -19.900 10.888 -0.766 1.00 0.00 C ATOM 145 OD1 ASN A 12 -19.700 9.826 0.006 1.00 0.00 O flip ATOM 146 ND2 ASN A 12 -20.885 11.618 -0.651 1.00 0.00 N flip ATOM 0 H ASN A 12 -16.134 10.995 -2.625 1.00 0.00 H new ATOM 0 HA ASN A 12 -17.694 12.611 -0.706 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -19.215 11.922 -2.510 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -18.658 10.265 -2.394 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -20.997 12.424 -1.266 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -21.588 11.417 0.060 1.00 0.00 H new ATOM 153 N ASN A 13 -16.455 9.553 -0.637 1.00 0.00 N ATOM 154 CA ASN A 13 -15.943 8.516 0.251 1.00 0.00 C ATOM 155 C ASN A 13 -15.216 7.433 -0.541 1.00 0.00 C ATOM 156 O ASN A 13 -15.690 6.990 -1.587 1.00 0.00 O ATOM 157 CB ASN A 13 -17.086 7.894 1.056 1.00 0.00 C ATOM 158 CG ASN A 13 -16.609 7.278 2.357 1.00 0.00 C ATOM 159 OD1 ASN A 13 -15.757 7.838 3.046 1.00 0.00 O ATOM 160 ND2 ASN A 13 -17.158 6.118 2.698 1.00 0.00 N ATOM 0 H ASN A 13 -16.327 9.359 -1.630 1.00 0.00 H new ATOM 0 HA ASN A 13 -15.234 8.978 0.938 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -17.833 8.658 1.271 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -17.577 7.129 0.454 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -16.877 5.655 3.562 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -17.861 5.690 2.096 1.00 0.00 H new ATOM 167 N PHE A 14 -14.063 7.011 -0.034 1.00 0.00 N ATOM 168 CA PHE A 14 -13.269 5.980 -0.693 1.00 0.00 C ATOM 169 C PHE A 14 -13.157 4.736 0.184 1.00 0.00 C ATOM 170 O PHE A 14 -12.862 4.827 1.374 1.00 0.00 O ATOM 171 CB PHE A 14 -11.873 6.513 -1.022 1.00 0.00 C ATOM 172 CG PHE A 14 -11.833 7.365 -2.259 1.00 0.00 C ATOM 173 CD1 PHE A 14 -12.351 8.650 -2.248 1.00 0.00 C ATOM 174 CD2 PHE A 14 -11.278 6.880 -3.432 1.00 0.00 C ATOM 175 CE1 PHE A 14 -12.316 9.436 -3.384 1.00 0.00 C ATOM 176 CE2 PHE A 14 -11.239 7.662 -4.571 1.00 0.00 C ATOM 177 CZ PHE A 14 -11.760 8.941 -4.548 1.00 0.00 C ATOM 0 H PHE A 14 -13.657 7.367 0.831 1.00 0.00 H new ATOM 0 HA PHE A 14 -13.773 5.706 -1.620 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -11.507 7.096 -0.177 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -11.192 5.671 -1.148 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -12.787 9.042 -1.341 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -10.871 5.880 -3.457 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -12.723 10.436 -3.362 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -10.801 7.273 -5.479 1.00 0.00 H new ATOM 0 HZ PHE A 14 -11.733 9.553 -5.438 1.00 0.00 H new ATOM 187 N GLY A 15 -13.396 3.573 -0.416 1.00 0.00 N ATOM 188 CA GLY A 15 -13.318 2.328 0.325 1.00 0.00 C ATOM 189 C GLY A 15 -12.681 1.213 -0.482 1.00 0.00 C ATOM 190 O GLY A 15 -13.092 0.057 -0.387 1.00 0.00 O ATOM 0 H GLY A 15 -13.642 3.472 -1.401 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.743 2.487 1.237 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -14.320 2.026 0.629 1.00 0.00 H new ATOM 194 N ASN A 16 -11.676 1.561 -1.279 1.00 0.00 N ATOM 195 CA ASN A 16 -10.983 0.581 -2.107 1.00 0.00 C ATOM 196 C ASN A 16 -9.478 0.832 -2.102 1.00 0.00 C ATOM 197 O ASN A 16 -9.018 1.908 -1.720 1.00 0.00 O ATOM 198 CB ASN A 16 -11.514 0.627 -3.541 1.00 0.00 C ATOM 199 CG ASN A 16 -12.994 0.956 -3.599 1.00 0.00 C ATOM 200 OD1 ASN A 16 -13.788 0.251 -2.802 1.00 0.00 O flip ATOM 201 ND2 ASN A 16 -13.417 1.834 -4.351 1.00 0.00 N flip ATOM 0 H ASN A 16 -11.324 2.514 -1.369 1.00 0.00 H new ATOM 0 HA ASN A 16 -11.170 -0.408 -1.689 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -10.956 1.372 -4.108 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -11.339 -0.336 -4.021 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -12.770 2.351 -4.946 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -14.415 2.045 -4.379 1.00 0.00 H new ATOM 208 N CYS A 17 -8.715 -0.169 -2.530 1.00 0.00 N ATOM 209 CA CYS A 17 -7.262 -0.058 -2.575 1.00 0.00 C ATOM 210 C CYS A 17 -6.835 1.176 -3.365 1.00 0.00 C ATOM 211 O CYS A 17 -7.542 1.624 -4.269 1.00 0.00 O ATOM 212 CB CYS A 17 -6.654 -1.314 -3.203 1.00 0.00 C ATOM 213 SG CYS A 17 -4.833 -1.316 -3.246 1.00 0.00 S ATOM 0 H CYS A 17 -9.079 -1.066 -2.851 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.898 0.043 -1.553 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.995 -2.187 -2.646 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.031 -1.418 -4.220 1.00 0.00 H new ATOM 218 N THR A 18 -5.674 1.721 -3.017 1.00 0.00 N ATOM 219 CA THR A 18 -5.152 2.903 -3.692 1.00 0.00 C ATOM 220 C THR A 18 -4.155 2.521 -4.779 1.00 0.00 C ATOM 221 O THR A 18 -3.345 3.341 -5.208 1.00 0.00 O ATOM 222 CB THR A 18 -4.469 3.861 -2.698 1.00 0.00 C ATOM 223 OG1 THR A 18 -5.333 4.108 -1.583 1.00 0.00 O ATOM 224 CG2 THR A 18 -4.114 5.178 -3.372 1.00 0.00 C ATOM 0 H THR A 18 -5.077 1.363 -2.272 1.00 0.00 H new ATOM 0 HA THR A 18 -6.004 3.409 -4.147 1.00 0.00 H new ATOM 0 HB THR A 18 -3.550 3.391 -2.348 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.254 3.373 -0.939 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.633 5.838 -2.650 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.433 4.990 -4.202 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.022 5.651 -3.747 1.00 0.00 H new ATOM 232 N GLY A 19 -4.219 1.268 -5.221 1.00 0.00 N ATOM 233 CA GLY A 19 -3.316 0.799 -6.256 1.00 0.00 C ATOM 234 C GLY A 19 -4.040 0.076 -7.373 1.00 0.00 C ATOM 235 O GLY A 19 -3.889 0.420 -8.546 1.00 0.00 O ATOM 0 H GLY A 19 -4.880 0.570 -4.881 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.771 1.647 -6.670 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.577 0.131 -5.814 1.00 0.00 H new ATOM 239 N CYS A 20 -4.828 -0.931 -7.011 1.00 0.00 N ATOM 240 CA CYS A 20 -5.577 -1.708 -7.991 1.00 0.00 C ATOM 241 C CYS A 20 -7.070 -1.411 -7.894 1.00 0.00 C ATOM 242 O CYS A 20 -7.879 -2.000 -8.611 1.00 0.00 O ATOM 243 CB CYS A 20 -5.328 -3.203 -7.786 1.00 0.00 C ATOM 244 SG CYS A 20 -5.829 -3.822 -6.147 1.00 0.00 S ATOM 0 H CYS A 20 -4.964 -1.228 -6.045 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.232 -1.423 -8.985 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -5.867 -3.759 -8.553 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.267 -3.407 -7.931 1.00 0.00 H new ATOM 249 N SER A 21 -7.429 -0.493 -7.002 1.00 0.00 N ATOM 250 CA SER A 21 -8.825 -0.120 -6.808 1.00 0.00 C ATOM 251 C SER A 21 -9.700 -1.358 -6.637 1.00 0.00 C ATOM 252 O SER A 21 -10.747 -1.485 -7.271 1.00 0.00 O ATOM 253 CB SER A 21 -9.323 0.710 -7.993 1.00 0.00 C ATOM 254 OG SER A 21 -8.808 2.029 -7.944 1.00 0.00 O ATOM 0 H SER A 21 -6.772 0.006 -6.402 1.00 0.00 H new ATOM 0 HA SER A 21 -8.892 0.479 -5.900 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.023 0.234 -8.926 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.413 0.741 -7.987 1.00 0.00 H new ATOM 0 HG SER A 21 -9.140 2.538 -8.713 1.00 0.00 H new ATOM 260 N ALA A 22 -9.261 -2.270 -5.774 1.00 0.00 N ATOM 261 CA ALA A 22 -10.004 -3.498 -5.517 1.00 0.00 C ATOM 262 C ALA A 22 -10.636 -3.476 -4.130 1.00 0.00 C ATOM 263 O ALA A 22 -9.956 -3.681 -3.123 1.00 0.00 O ATOM 264 CB ALA A 22 -9.092 -4.707 -5.666 1.00 0.00 C ATOM 0 H ALA A 22 -8.395 -2.181 -5.242 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.806 -3.570 -6.251 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.660 -5.617 -5.471 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.692 -4.738 -6.680 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.270 -4.633 -4.954 1.00 0.00 H new ATOM 270 N THR A 23 -11.941 -3.226 -4.082 1.00 0.00 N ATOM 271 CA THR A 23 -12.664 -3.176 -2.818 1.00 0.00 C ATOM 272 C THR A 23 -12.206 -4.286 -1.879 1.00 0.00 C ATOM 273 O THR A 23 -11.814 -5.366 -2.322 1.00 0.00 O ATOM 274 CB THR A 23 -14.184 -3.298 -3.035 1.00 0.00 C ATOM 275 OG1 THR A 23 -14.589 -2.474 -4.134 1.00 0.00 O ATOM 276 CG2 THR A 23 -14.944 -2.890 -1.782 1.00 0.00 C ATOM 0 H THR A 23 -12.519 -3.055 -4.905 1.00 0.00 H new ATOM 0 HA THR A 23 -12.445 -2.208 -2.367 1.00 0.00 H new ATOM 0 HB THR A 23 -14.415 -4.340 -3.258 1.00 0.00 H new ATOM 0 HG1 THR A 23 -14.419 -1.533 -3.918 1.00 0.00 H new ATOM 0 HG21 THR A 23 -16.015 -2.984 -1.959 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.655 -3.537 -0.954 1.00 0.00 H new ATOM 0 HG23 THR A 23 -14.707 -1.855 -1.533 1.00 0.00 H new ATOM 284 N PHE A 24 -12.260 -4.014 -0.579 1.00 0.00 N ATOM 285 CA PHE A 24 -11.850 -4.991 0.424 1.00 0.00 C ATOM 286 C PHE A 24 -13.042 -5.821 0.893 1.00 0.00 C ATOM 287 O PHE A 24 -13.856 -5.360 1.693 1.00 0.00 O ATOM 288 CB PHE A 24 -11.203 -4.287 1.618 1.00 0.00 C ATOM 289 CG PHE A 24 -10.037 -3.417 1.241 1.00 0.00 C ATOM 290 CD1 PHE A 24 -10.242 -2.149 0.721 1.00 0.00 C ATOM 291 CD2 PHE A 24 -8.738 -3.868 1.408 1.00 0.00 C ATOM 292 CE1 PHE A 24 -9.171 -1.348 0.373 1.00 0.00 C ATOM 293 CE2 PHE A 24 -7.663 -3.070 1.062 1.00 0.00 C ATOM 294 CZ PHE A 24 -7.880 -1.808 0.545 1.00 0.00 C ATOM 0 H PHE A 24 -12.583 -3.126 -0.195 1.00 0.00 H new ATOM 0 HA PHE A 24 -11.121 -5.660 -0.033 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -11.954 -3.677 2.121 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -10.870 -5.037 2.335 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -11.249 -1.783 0.586 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -8.563 -4.854 1.813 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -9.343 -0.362 -0.033 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -6.655 -3.433 1.196 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.042 -1.182 0.276 1.00 0.00 H new ATOM 304 N SER A 25 -13.136 -7.047 0.390 1.00 0.00 N ATOM 305 CA SER A 25 -14.230 -7.941 0.753 1.00 0.00 C ATOM 306 C SER A 25 -13.849 -8.806 1.951 1.00 0.00 C ATOM 307 O SER A 25 -12.674 -8.920 2.300 1.00 0.00 O ATOM 308 CB SER A 25 -14.605 -8.830 -0.434 1.00 0.00 C ATOM 309 OG SER A 25 -13.476 -9.531 -0.924 1.00 0.00 O ATOM 0 H SER A 25 -12.468 -7.445 -0.270 1.00 0.00 H new ATOM 0 HA SER A 25 -15.091 -7.331 1.026 1.00 0.00 H new ATOM 0 HB2 SER A 25 -15.374 -9.540 -0.131 1.00 0.00 H new ATOM 0 HB3 SER A 25 -15.031 -8.219 -1.230 1.00 0.00 H new ATOM 0 HG SER A 25 -13.743 -10.093 -1.681 1.00 0.00 H new ATOM 315 N VAL A 26 -14.852 -9.413 2.577 1.00 0.00 N ATOM 316 CA VAL A 26 -14.624 -10.269 3.735 1.00 0.00 C ATOM 317 C VAL A 26 -13.417 -11.175 3.520 1.00 0.00 C ATOM 318 O VAL A 26 -12.784 -11.622 4.477 1.00 0.00 O ATOM 319 CB VAL A 26 -15.858 -11.139 4.041 1.00 0.00 C ATOM 320 CG1 VAL A 26 -16.385 -11.785 2.769 1.00 0.00 C ATOM 321 CG2 VAL A 26 -15.520 -12.194 5.083 1.00 0.00 C ATOM 0 H VAL A 26 -15.830 -9.328 2.302 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.433 -9.611 4.583 1.00 0.00 H new ATOM 0 HB VAL A 26 -16.641 -10.498 4.446 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -17.257 -12.396 3.005 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -16.667 -11.009 2.057 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -15.609 -12.414 2.332 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -16.403 -12.800 5.287 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.721 -12.833 4.708 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -15.194 -11.707 6.002 1.00 0.00 H new ATOM 331 N LEU A 27 -13.104 -11.444 2.257 1.00 0.00 N ATOM 332 CA LEU A 27 -11.971 -12.297 1.915 1.00 0.00 C ATOM 333 C LEU A 27 -10.705 -11.469 1.720 1.00 0.00 C ATOM 334 O LEU A 27 -9.807 -11.853 0.970 1.00 0.00 O ATOM 335 CB LEU A 27 -12.273 -13.094 0.644 1.00 0.00 C ATOM 336 CG LEU A 27 -13.521 -13.976 0.686 1.00 0.00 C ATOM 337 CD1 LEU A 27 -14.689 -13.280 0.004 1.00 0.00 C ATOM 338 CD2 LEU A 27 -13.245 -15.322 0.033 1.00 0.00 C ATOM 0 H LEU A 27 -13.619 -11.084 1.453 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.807 -12.989 2.741 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.375 -12.393 -0.185 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.413 -13.726 0.422 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.786 -14.149 1.729 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.569 -13.922 0.043 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.902 -12.341 0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -14.434 -13.077 -1.036 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.144 -15.937 0.072 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.955 -15.169 -1.006 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -12.438 -15.826 0.565 1.00 0.00 H new ATOM 350 N LYS A 28 -10.637 -10.331 2.403 1.00 0.00 N ATOM 351 CA LYS A 28 -9.480 -9.449 2.309 1.00 0.00 C ATOM 352 C LYS A 28 -9.435 -8.483 3.489 1.00 0.00 C ATOM 353 O LYS A 28 -10.472 -8.100 4.031 1.00 0.00 O ATOM 354 CB LYS A 28 -9.515 -8.665 0.996 1.00 0.00 C ATOM 355 CG LYS A 28 -8.190 -8.013 0.641 1.00 0.00 C ATOM 356 CD LYS A 28 -8.363 -6.942 -0.423 1.00 0.00 C ATOM 357 CE LYS A 28 -8.512 -7.551 -1.808 1.00 0.00 C ATOM 358 NZ LYS A 28 -8.702 -6.509 -2.855 1.00 0.00 N ATOM 0 H LYS A 28 -11.371 -9.998 3.028 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.582 -10.066 2.332 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.807 -9.337 0.189 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.283 -7.894 1.063 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.750 -7.571 1.535 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.494 -8.772 0.285 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.241 -6.338 -0.194 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.503 -6.272 -0.410 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.627 -8.143 -2.041 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.363 -8.233 -1.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.220 -6.916 -3.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.245 -5.715 -2.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.774 -6.168 -3.177 1.00 0.00 H new ATOM 372 N LYS A 29 -8.228 -8.092 3.882 1.00 0.00 N ATOM 373 CA LYS A 29 -8.046 -7.168 4.995 1.00 0.00 C ATOM 374 C LYS A 29 -7.341 -5.896 4.537 1.00 0.00 C ATOM 375 O LYS A 29 -6.295 -5.953 3.890 1.00 0.00 O ATOM 376 CB LYS A 29 -7.243 -7.836 6.113 1.00 0.00 C ATOM 377 CG LYS A 29 -5.965 -8.501 5.630 1.00 0.00 C ATOM 378 CD LYS A 29 -6.203 -9.951 5.243 1.00 0.00 C ATOM 379 CE LYS A 29 -6.261 -10.852 6.466 1.00 0.00 C ATOM 380 NZ LYS A 29 -6.362 -12.290 6.092 1.00 0.00 N ATOM 0 H LYS A 29 -7.360 -8.401 3.445 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.031 -6.898 5.375 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.992 -7.088 6.865 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.869 -8.583 6.602 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.571 -7.955 4.773 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.209 -8.452 6.414 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.136 -10.031 4.686 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.406 -10.287 4.580 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.370 -10.697 7.074 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.118 -10.576 7.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.399 -12.871 6.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.226 -12.444 5.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.532 -12.561 5.527 1.00 0.00 H new ATOM 394 N ARG A 30 -7.918 -4.749 4.879 1.00 0.00 N ATOM 395 CA ARG A 30 -7.344 -3.462 4.503 1.00 0.00 C ATOM 396 C ARG A 30 -6.030 -3.218 5.240 1.00 0.00 C ATOM 397 O ARG A 30 -6.014 -3.033 6.457 1.00 0.00 O ATOM 398 CB ARG A 30 -8.329 -2.332 4.806 1.00 0.00 C ATOM 399 CG ARG A 30 -8.211 -1.151 3.856 1.00 0.00 C ATOM 400 CD ARG A 30 -9.551 -0.461 3.657 1.00 0.00 C ATOM 401 NE ARG A 30 -9.765 0.611 4.627 1.00 0.00 N ATOM 402 CZ ARG A 30 -10.963 1.092 4.938 1.00 0.00 C ATOM 403 NH1 ARG A 30 -12.050 0.600 4.359 1.00 0.00 N ATOM 404 NH2 ARG A 30 -11.076 2.068 5.830 1.00 0.00 N ATOM 0 H ARG A 30 -8.783 -4.684 5.416 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.142 -3.481 3.432 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.345 -2.725 4.760 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.168 -1.984 5.826 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.488 -0.437 4.249 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.830 -1.493 2.894 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.602 -0.052 2.648 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.353 -1.194 3.744 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.949 1.012 5.090 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.967 -0.150 3.673 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.969 0.972 4.600 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.242 2.449 6.277 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.997 2.437 6.068 1.00 0.00 H new ATOM 418 N ARG A 31 -4.930 -3.218 4.493 1.00 0.00 N ATOM 419 CA ARG A 31 -3.612 -2.998 5.076 1.00 0.00 C ATOM 420 C ARG A 31 -3.275 -1.510 5.112 1.00 0.00 C ATOM 421 O ARG A 31 -4.039 -0.679 4.622 1.00 0.00 O ATOM 422 CB ARG A 31 -2.546 -3.754 4.279 1.00 0.00 C ATOM 423 CG ARG A 31 -2.294 -5.164 4.785 1.00 0.00 C ATOM 424 CD ARG A 31 -1.503 -5.984 3.777 1.00 0.00 C ATOM 425 NE ARG A 31 -1.183 -7.315 4.286 1.00 0.00 N ATOM 426 CZ ARG A 31 -0.133 -7.574 5.058 1.00 0.00 C ATOM 427 NH1 ARG A 31 0.692 -6.597 5.409 1.00 0.00 N ATOM 428 NH2 ARG A 31 0.092 -8.811 5.481 1.00 0.00 N ATOM 0 H ARG A 31 -4.926 -3.368 3.484 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.627 -3.375 6.099 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.851 -3.801 3.234 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.612 -3.192 4.313 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.750 -5.121 5.728 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.246 -5.655 4.988 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.077 -6.077 2.855 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.581 -5.460 3.527 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.799 -8.088 4.035 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.521 -5.645 5.086 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.497 -6.798 6.002 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.541 -9.565 5.214 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.898 -9.009 6.074 1.00 0.00 H new ATOM 442 N SER A 32 -2.127 -1.183 5.696 1.00 0.00 N ATOM 443 CA SER A 32 -1.691 0.205 5.801 1.00 0.00 C ATOM 444 C SER A 32 -0.221 0.343 5.416 1.00 0.00 C ATOM 445 O SER A 32 0.655 -0.256 6.041 1.00 0.00 O ATOM 446 CB SER A 32 -1.909 0.724 7.223 1.00 0.00 C ATOM 447 OG SER A 32 -3.276 0.656 7.587 1.00 0.00 O ATOM 0 H SER A 32 -1.482 -1.860 6.104 1.00 0.00 H new ATOM 0 HA SER A 32 -2.287 0.801 5.110 1.00 0.00 H new ATOM 0 HB2 SER A 32 -1.314 0.137 7.923 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.561 1.755 7.295 1.00 0.00 H new ATOM 0 HG SER A 32 -3.388 0.992 8.501 1.00 0.00 H new ATOM 453 N CYS A 33 0.042 1.136 4.383 1.00 0.00 N ATOM 454 CA CYS A 33 1.404 1.354 3.913 1.00 0.00 C ATOM 455 C CYS A 33 2.287 1.894 5.034 1.00 0.00 C ATOM 456 O CYS A 33 1.790 2.354 6.063 1.00 0.00 O ATOM 457 CB CYS A 33 1.409 2.327 2.732 1.00 0.00 C ATOM 458 SG CYS A 33 3.023 2.479 1.900 1.00 0.00 S ATOM 0 H CYS A 33 -0.671 1.639 3.855 1.00 0.00 H new ATOM 0 HA CYS A 33 1.807 0.395 3.587 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.666 2.001 2.004 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.100 3.311 3.085 1.00 0.00 H new ATOM 463 N SER A 34 3.599 1.835 4.828 1.00 0.00 N ATOM 464 CA SER A 34 4.552 2.314 5.823 1.00 0.00 C ATOM 465 C SER A 34 5.111 3.677 5.427 1.00 0.00 C ATOM 466 O SER A 34 5.464 4.487 6.282 1.00 0.00 O ATOM 467 CB SER A 34 5.694 1.311 5.991 1.00 0.00 C ATOM 468 OG SER A 34 6.440 1.578 7.166 1.00 0.00 O ATOM 0 H SER A 34 4.026 1.460 3.981 1.00 0.00 H new ATOM 0 HA SER A 34 4.027 2.418 6.773 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.290 0.300 6.035 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.351 1.354 5.122 1.00 0.00 H new ATOM 0 HG SER A 34 6.403 0.800 7.761 1.00 0.00 H new ATOM 474 N ASN A 35 5.187 3.922 4.123 1.00 0.00 N ATOM 475 CA ASN A 35 5.703 5.187 3.612 1.00 0.00 C ATOM 476 C ASN A 35 4.590 6.225 3.503 1.00 0.00 C ATOM 477 O ASN A 35 4.497 7.140 4.322 1.00 0.00 O ATOM 478 CB ASN A 35 6.357 4.979 2.244 1.00 0.00 C ATOM 479 CG ASN A 35 6.718 6.289 1.571 1.00 0.00 C ATOM 480 OD1 ASN A 35 7.163 7.234 2.224 1.00 0.00 O ATOM 481 ND2 ASN A 35 6.528 6.352 0.258 1.00 0.00 N ATOM 0 H ASN A 35 4.898 3.262 3.401 1.00 0.00 H new ATOM 0 HA ASN A 35 6.451 5.555 4.314 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.256 4.375 2.362 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.678 4.418 1.601 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.753 7.208 -0.249 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.157 5.545 -0.243 1.00 0.00 H new ATOM 488 N CYS A 36 3.747 6.076 2.487 1.00 0.00 N ATOM 489 CA CYS A 36 2.640 7.000 2.270 1.00 0.00 C ATOM 490 C CYS A 36 1.612 6.890 3.392 1.00 0.00 C ATOM 491 O CYS A 36 0.988 7.878 3.775 1.00 0.00 O ATOM 492 CB CYS A 36 1.972 6.720 0.922 1.00 0.00 C ATOM 493 SG CYS A 36 0.984 5.190 0.886 1.00 0.00 S ATOM 0 H CYS A 36 3.809 5.324 1.801 1.00 0.00 H new ATOM 0 HA CYS A 36 3.041 8.014 2.266 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.328 7.562 0.666 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.742 6.661 0.152 1.00 0.00 H new ATOM 498 N GLY A 37 1.443 5.679 3.916 1.00 0.00 N ATOM 499 CA GLY A 37 0.490 5.462 4.989 1.00 0.00 C ATOM 500 C GLY A 37 -0.940 5.403 4.491 1.00 0.00 C ATOM 501 O GLY A 37 -1.855 5.896 5.151 1.00 0.00 O ATOM 0 H GLY A 37 1.949 4.845 3.617 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.731 4.531 5.502 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.584 6.264 5.722 1.00 0.00 H new ATOM 505 N ASN A 38 -1.135 4.801 3.322 1.00 0.00 N ATOM 506 CA ASN A 38 -2.465 4.682 2.735 1.00 0.00 C ATOM 507 C ASN A 38 -2.975 3.247 2.830 1.00 0.00 C ATOM 508 O ASN A 38 -2.246 2.344 3.240 1.00 0.00 O ATOM 509 CB ASN A 38 -2.441 5.132 1.273 1.00 0.00 C ATOM 510 CG ASN A 38 -1.741 6.465 1.089 1.00 0.00 C ATOM 511 OD1 ASN A 38 -1.670 7.274 2.014 1.00 0.00 O ATOM 512 ND2 ASN A 38 -1.221 6.699 -0.110 1.00 0.00 N ATOM 0 H ASN A 38 -0.389 4.388 2.763 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.142 5.327 3.295 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.939 4.375 0.671 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -3.463 5.207 0.902 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -0.739 7.579 -0.294 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -1.304 5.999 -0.847 1.00 0.00 H new ATOM 519 N SER A 39 -4.231 3.045 2.446 1.00 0.00 N ATOM 520 CA SER A 39 -4.841 1.721 2.491 1.00 0.00 C ATOM 521 C SER A 39 -4.556 0.949 1.206 1.00 0.00 C ATOM 522 O SER A 39 -4.663 1.491 0.105 1.00 0.00 O ATOM 523 CB SER A 39 -6.351 1.839 2.704 1.00 0.00 C ATOM 524 OG SER A 39 -6.645 2.653 3.826 1.00 0.00 O ATOM 0 H SER A 39 -4.846 3.781 2.100 1.00 0.00 H new ATOM 0 HA SER A 39 -4.405 1.175 3.328 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.815 2.261 1.813 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.780 0.847 2.848 1.00 0.00 H new ATOM 0 HG SER A 39 -7.616 2.714 3.940 1.00 0.00 H new ATOM 530 N PHE A 40 -4.193 -0.320 1.354 1.00 0.00 N ATOM 531 CA PHE A 40 -3.891 -1.168 0.207 1.00 0.00 C ATOM 532 C PHE A 40 -4.312 -2.611 0.471 1.00 0.00 C ATOM 533 O PHE A 40 -4.529 -3.007 1.617 1.00 0.00 O ATOM 534 CB PHE A 40 -2.397 -1.112 -0.117 1.00 0.00 C ATOM 535 CG PHE A 40 -1.941 0.230 -0.611 1.00 0.00 C ATOM 536 CD1 PHE A 40 -2.122 0.594 -1.936 1.00 0.00 C ATOM 537 CD2 PHE A 40 -1.330 1.129 0.248 1.00 0.00 C ATOM 538 CE1 PHE A 40 -1.704 1.829 -2.394 1.00 0.00 C ATOM 539 CE2 PHE A 40 -0.910 2.365 -0.204 1.00 0.00 C ATOM 540 CZ PHE A 40 -1.096 2.716 -1.527 1.00 0.00 C ATOM 0 H PHE A 40 -4.101 -0.784 2.257 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.455 -0.794 -0.647 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.830 -1.373 0.776 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.169 -1.865 -0.871 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -2.595 -0.096 -2.619 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.180 0.860 1.283 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.853 2.100 -3.429 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.436 3.057 0.477 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.767 3.681 -1.883 1.00 0.00 H new ATOM 550 N CYS A 41 -4.427 -3.393 -0.597 1.00 0.00 N ATOM 551 CA CYS A 41 -4.822 -4.791 -0.483 1.00 0.00 C ATOM 552 C CYS A 41 -3.657 -5.649 0.003 1.00 0.00 C ATOM 553 O CYS A 41 -2.588 -5.133 0.331 1.00 0.00 O ATOM 554 CB CYS A 41 -5.325 -5.312 -1.831 1.00 0.00 C ATOM 555 SG CYS A 41 -4.108 -5.183 -3.180 1.00 0.00 S ATOM 0 H CYS A 41 -4.252 -3.081 -1.552 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.628 -4.856 0.248 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.617 -6.356 -1.719 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.221 -4.758 -2.111 1.00 0.00 H new ATOM 560 N SER A 42 -3.872 -6.960 0.046 1.00 0.00 N ATOM 561 CA SER A 42 -2.841 -7.889 0.495 1.00 0.00 C ATOM 562 C SER A 42 -1.898 -8.248 -0.649 1.00 0.00 C ATOM 563 O SER A 42 -0.963 -9.029 -0.474 1.00 0.00 O ATOM 564 CB SER A 42 -3.481 -9.158 1.062 1.00 0.00 C ATOM 565 OG SER A 42 -4.219 -8.875 2.239 1.00 0.00 O ATOM 0 H SER A 42 -4.750 -7.403 -0.224 1.00 0.00 H new ATOM 0 HA SER A 42 -2.263 -7.401 1.279 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.138 -9.603 0.315 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.706 -9.892 1.282 1.00 0.00 H new ATOM 0 HG SER A 42 -4.619 -9.702 2.581 1.00 0.00 H new ATOM 571 N ARG A 43 -2.152 -7.673 -1.820 1.00 0.00 N ATOM 572 CA ARG A 43 -1.327 -7.933 -2.993 1.00 0.00 C ATOM 573 C ARG A 43 -0.489 -6.709 -3.351 1.00 0.00 C ATOM 574 O ARG A 43 0.524 -6.817 -4.042 1.00 0.00 O ATOM 575 CB ARG A 43 -2.205 -8.327 -4.182 1.00 0.00 C ATOM 576 CG ARG A 43 -2.873 -9.683 -4.023 1.00 0.00 C ATOM 577 CD ARG A 43 -3.774 -10.003 -5.205 1.00 0.00 C ATOM 578 NE ARG A 43 -3.020 -10.526 -6.342 1.00 0.00 N ATOM 579 CZ ARG A 43 -2.440 -9.756 -7.256 1.00 0.00 C ATOM 580 NH1 ARG A 43 -2.527 -8.436 -7.167 1.00 0.00 N ATOM 581 NH2 ARG A 43 -1.771 -10.306 -8.261 1.00 0.00 N ATOM 0 H ARG A 43 -2.922 -7.024 -1.981 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.654 -8.757 -2.757 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.974 -7.567 -4.323 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.596 -8.335 -5.086 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.111 -10.456 -3.926 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.459 -9.696 -3.104 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.525 -10.733 -4.901 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.308 -9.103 -5.508 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.934 -11.538 -6.439 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.040 -8.010 -6.395 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.081 -7.847 -7.870 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.702 -11.321 -8.332 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.326 -9.714 -8.962 1.00 0.00 H new ATOM 595 N CYS A 44 -0.918 -5.545 -2.875 1.00 0.00 N ATOM 596 CA CYS A 44 -0.209 -4.300 -3.144 1.00 0.00 C ATOM 597 C CYS A 44 0.714 -3.938 -1.984 1.00 0.00 C ATOM 598 O CYS A 44 1.794 -3.381 -2.186 1.00 0.00 O ATOM 599 CB CYS A 44 -1.204 -3.164 -3.392 1.00 0.00 C ATOM 600 SG CYS A 44 -2.045 -3.252 -5.005 1.00 0.00 S ATOM 0 H CYS A 44 -1.754 -5.438 -2.301 1.00 0.00 H new ATOM 0 HA CYS A 44 0.398 -4.443 -4.038 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.955 -3.174 -2.602 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.678 -2.212 -3.320 1.00 0.00 H new ATOM 605 N CYS A 45 0.282 -4.258 -0.769 1.00 0.00 N ATOM 606 CA CYS A 45 1.068 -3.966 0.424 1.00 0.00 C ATOM 607 C CYS A 45 1.917 -5.169 0.823 1.00 0.00 C ATOM 608 O CYS A 45 2.053 -5.481 2.006 1.00 0.00 O ATOM 609 CB CYS A 45 0.150 -3.568 1.581 1.00 0.00 C ATOM 610 SG CYS A 45 1.027 -3.038 3.070 1.00 0.00 S ATOM 0 H CYS A 45 -0.609 -4.720 -0.584 1.00 0.00 H new ATOM 0 HA CYS A 45 1.734 -3.134 0.196 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.504 -2.761 1.251 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.490 -4.414 1.831 1.00 0.00 H new ATOM 0 HG CYS A 45 1.747 -4.021 3.522 1.00 0.00 H new ATOM 616 N SER A 46 2.485 -5.842 -0.172 1.00 0.00 N ATOM 617 CA SER A 46 3.316 -7.015 0.074 1.00 0.00 C ATOM 618 C SER A 46 4.734 -6.794 -0.445 1.00 0.00 C ATOM 619 O SER A 46 5.411 -7.737 -0.854 1.00 0.00 O ATOM 620 CB SER A 46 2.704 -8.249 -0.590 1.00 0.00 C ATOM 621 OG SER A 46 1.825 -8.921 0.295 1.00 0.00 O ATOM 0 H SER A 46 2.385 -5.595 -1.157 1.00 0.00 H new ATOM 0 HA SER A 46 3.363 -7.177 1.151 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.163 -7.952 -1.489 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.497 -8.927 -0.905 1.00 0.00 H new ATOM 0 HG SER A 46 0.917 -8.907 -0.073 1.00 0.00 H new ATOM 627 N PHE A 47 5.177 -5.541 -0.425 1.00 0.00 N ATOM 628 CA PHE A 47 6.513 -5.195 -0.894 1.00 0.00 C ATOM 629 C PHE A 47 7.399 -4.751 0.266 1.00 0.00 C ATOM 630 O PHE A 47 7.171 -3.703 0.871 1.00 0.00 O ATOM 631 CB PHE A 47 6.436 -4.086 -1.945 1.00 0.00 C ATOM 632 CG PHE A 47 5.811 -4.527 -3.238 1.00 0.00 C ATOM 633 CD1 PHE A 47 6.549 -5.237 -4.172 1.00 0.00 C ATOM 634 CD2 PHE A 47 4.487 -4.233 -3.518 1.00 0.00 C ATOM 635 CE1 PHE A 47 5.976 -5.643 -5.363 1.00 0.00 C ATOM 636 CE2 PHE A 47 3.909 -4.638 -4.707 1.00 0.00 C ATOM 637 CZ PHE A 47 4.654 -5.345 -5.630 1.00 0.00 C ATOM 0 H PHE A 47 4.630 -4.749 -0.089 1.00 0.00 H new ATOM 0 HA PHE A 47 6.954 -6.084 -1.345 1.00 0.00 H new ATOM 0 HB2 PHE A 47 5.863 -3.252 -1.540 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.441 -3.715 -2.145 1.00 0.00 H new ATOM 0 HD1 PHE A 47 7.582 -5.476 -3.967 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.899 -3.681 -2.799 1.00 0.00 H new ATOM 0 HE1 PHE A 47 6.562 -6.193 -6.084 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.876 -4.402 -4.914 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.204 -5.664 -6.558 1.00 0.00 H new ATOM 647 N LYS A 48 8.410 -5.556 0.572 1.00 0.00 N ATOM 648 CA LYS A 48 9.332 -5.248 1.659 1.00 0.00 C ATOM 649 C LYS A 48 10.361 -4.210 1.222 1.00 0.00 C ATOM 650 O LYS A 48 10.956 -4.324 0.151 1.00 0.00 O ATOM 651 CB LYS A 48 10.043 -6.520 2.129 1.00 0.00 C ATOM 652 CG LYS A 48 9.187 -7.400 3.023 1.00 0.00 C ATOM 653 CD LYS A 48 10.031 -8.407 3.786 1.00 0.00 C ATOM 654 CE LYS A 48 9.407 -8.754 5.129 1.00 0.00 C ATOM 655 NZ LYS A 48 9.848 -10.089 5.618 1.00 0.00 N ATOM 0 H LYS A 48 8.612 -6.428 0.082 1.00 0.00 H new ATOM 0 HA LYS A 48 8.754 -4.836 2.486 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.354 -7.096 1.257 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.949 -6.242 2.667 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.636 -6.777 3.728 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.449 -7.927 2.418 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.144 -9.313 3.191 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.031 -8.001 3.942 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.675 -7.992 5.861 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.321 -8.741 5.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.401 -10.288 6.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.570 -10.819 4.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.882 -10.094 5.729 1.00 0.00 H new ATOM 669 N VAL A 49 10.567 -3.199 2.060 1.00 0.00 N ATOM 670 CA VAL A 49 11.526 -2.142 1.761 1.00 0.00 C ATOM 671 C VAL A 49 12.151 -1.590 3.038 1.00 0.00 C ATOM 672 O VAL A 49 11.528 -1.554 4.099 1.00 0.00 O ATOM 673 CB VAL A 49 10.865 -0.987 0.986 1.00 0.00 C ATOM 674 CG1 VAL A 49 10.192 -1.506 -0.275 1.00 0.00 C ATOM 675 CG2 VAL A 49 9.867 -0.255 1.870 1.00 0.00 C ATOM 0 H VAL A 49 10.083 -3.090 2.951 1.00 0.00 H new ATOM 0 HA VAL A 49 12.304 -2.587 1.141 1.00 0.00 H new ATOM 0 HB VAL A 49 11.641 -0.280 0.690 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.731 -0.676 -0.809 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.936 -1.981 -0.915 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.427 -2.234 -0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.409 0.558 1.306 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.094 -0.950 2.198 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.382 0.152 2.740 1.00 0.00 H new ATOM 685 N PRO A 50 13.414 -1.149 2.935 1.00 0.00 N ATOM 686 CA PRO A 50 14.151 -0.589 4.072 1.00 0.00 C ATOM 687 C PRO A 50 13.608 0.768 4.504 1.00 0.00 C ATOM 688 O PRO A 50 13.572 1.714 3.717 1.00 0.00 O ATOM 689 CB PRO A 50 15.577 -0.448 3.534 1.00 0.00 C ATOM 690 CG PRO A 50 15.415 -0.324 2.059 1.00 0.00 C ATOM 691 CD PRO A 50 14.218 -1.161 1.702 1.00 0.00 C ATOM 0 HA PRO A 50 14.075 -1.220 4.958 1.00 0.00 H new ATOM 0 HB2 PRO A 50 16.073 0.428 3.953 1.00 0.00 H new ATOM 0 HB3 PRO A 50 16.186 -1.314 3.794 1.00 0.00 H new ATOM 0 HG2 PRO A 50 15.265 0.716 1.769 1.00 0.00 H new ATOM 0 HG3 PRO A 50 16.306 -0.675 1.538 1.00 0.00 H new ATOM 0 HD2 PRO A 50 13.669 -0.739 0.860 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.506 -2.174 1.420 1.00 0.00 H new ATOM 699 N LYS A 51 13.186 0.858 5.761 1.00 0.00 N ATOM 700 CA LYS A 51 12.645 2.101 6.300 1.00 0.00 C ATOM 701 C LYS A 51 13.755 3.120 6.534 1.00 0.00 C ATOM 702 O LYS A 51 13.506 4.223 7.022 1.00 0.00 O ATOM 703 CB LYS A 51 11.900 1.832 7.609 1.00 0.00 C ATOM 704 CG LYS A 51 12.758 1.167 8.671 1.00 0.00 C ATOM 705 CD LYS A 51 12.234 1.450 10.069 1.00 0.00 C ATOM 706 CE LYS A 51 11.180 0.435 10.485 1.00 0.00 C ATOM 707 NZ LYS A 51 11.098 0.295 11.965 1.00 0.00 N ATOM 0 H LYS A 51 13.208 0.085 6.426 1.00 0.00 H new ATOM 0 HA LYS A 51 11.947 2.511 5.570 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.518 2.775 8.000 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.037 1.199 7.403 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.780 0.091 8.501 1.00 0.00 H new ATOM 0 HG3 LYS A 51 13.784 1.524 8.587 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.060 1.430 10.779 1.00 0.00 H new ATOM 0 HD3 LYS A 51 11.808 2.453 10.103 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.209 0.739 10.095 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.413 -0.533 10.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.369 -0.406 12.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.017 -0.020 12.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.851 1.213 12.387 1.00 0.00 H new ATOM 721 N SER A 52 14.981 2.745 6.183 1.00 0.00 N ATOM 722 CA SER A 52 16.130 3.626 6.358 1.00 0.00 C ATOM 723 C SER A 52 16.563 4.226 5.024 1.00 0.00 C ATOM 724 O SER A 52 17.080 5.342 4.970 1.00 0.00 O ATOM 725 CB SER A 52 17.295 2.861 6.988 1.00 0.00 C ATOM 726 OG SER A 52 18.427 3.698 7.151 1.00 0.00 O ATOM 0 H SER A 52 15.204 1.837 5.776 1.00 0.00 H new ATOM 0 HA SER A 52 15.836 4.438 7.023 1.00 0.00 H new ATOM 0 HB2 SER A 52 16.991 2.463 7.956 1.00 0.00 H new ATOM 0 HB3 SER A 52 17.556 2.009 6.360 1.00 0.00 H new ATOM 0 HG SER A 52 19.157 3.185 7.557 1.00 0.00 H new ATOM 732 N SER A 53 16.348 3.476 3.948 1.00 0.00 N ATOM 733 CA SER A 53 16.719 3.930 2.613 1.00 0.00 C ATOM 734 C SER A 53 15.479 4.255 1.785 1.00 0.00 C ATOM 735 O SER A 53 15.470 4.084 0.567 1.00 0.00 O ATOM 736 CB SER A 53 17.555 2.864 1.902 1.00 0.00 C ATOM 737 OG SER A 53 18.721 2.552 2.644 1.00 0.00 O ATOM 0 H SER A 53 15.919 2.551 3.975 1.00 0.00 H new ATOM 0 HA SER A 53 17.313 4.838 2.718 1.00 0.00 H new ATOM 0 HB2 SER A 53 16.958 1.963 1.761 1.00 0.00 H new ATOM 0 HB3 SER A 53 17.835 3.219 0.910 1.00 0.00 H new ATOM 0 HG SER A 53 19.237 1.867 2.170 1.00 0.00 H new ATOM 743 N MET A 54 14.433 4.725 2.458 1.00 0.00 N ATOM 744 CA MET A 54 13.187 5.075 1.785 1.00 0.00 C ATOM 745 C MET A 54 12.939 6.579 1.850 1.00 0.00 C ATOM 746 O MET A 54 11.817 7.042 1.648 1.00 0.00 O ATOM 747 CB MET A 54 12.013 4.325 2.417 1.00 0.00 C ATOM 748 CG MET A 54 11.600 4.874 3.773 1.00 0.00 C ATOM 749 SD MET A 54 9.872 4.537 4.162 1.00 0.00 S ATOM 750 CE MET A 54 9.689 2.888 3.487 1.00 0.00 C ATOM 0 H MET A 54 14.423 4.872 3.467 1.00 0.00 H new ATOM 0 HA MET A 54 13.274 4.783 0.738 1.00 0.00 H new ATOM 0 HB2 MET A 54 11.159 4.368 1.741 1.00 0.00 H new ATOM 0 HB3 MET A 54 12.280 3.274 2.526 1.00 0.00 H new ATOM 0 HG2 MET A 54 12.234 4.438 4.545 1.00 0.00 H new ATOM 0 HG3 MET A 54 11.769 5.951 3.792 1.00 0.00 H new ATOM 0 HE1 MET A 54 8.916 2.353 4.039 1.00 0.00 H new ATOM 0 HE2 MET A 54 9.405 2.954 2.437 1.00 0.00 H new ATOM 0 HE3 MET A 54 10.634 2.352 3.574 1.00 0.00 H new ATOM 760 N GLY A 55 13.994 7.337 2.133 1.00 0.00 N ATOM 761 CA GLY A 55 13.868 8.780 2.219 1.00 0.00 C ATOM 762 C GLY A 55 14.646 9.361 3.383 1.00 0.00 C ATOM 763 O GLY A 55 15.567 10.154 3.189 1.00 0.00 O ATOM 0 H GLY A 55 14.933 6.978 2.304 1.00 0.00 H new ATOM 0 HA2 GLY A 55 14.221 9.228 1.290 1.00 0.00 H new ATOM 0 HA3 GLY A 55 12.816 9.044 2.321 1.00 0.00 H new ATOM 767 N ALA A 56 14.274 8.968 4.597 1.00 0.00 N ATOM 768 CA ALA A 56 14.943 9.455 5.797 1.00 0.00 C ATOM 769 C ALA A 56 15.787 8.358 6.438 1.00 0.00 C ATOM 770 O ALA A 56 15.720 7.195 6.038 1.00 0.00 O ATOM 771 CB ALA A 56 13.923 9.988 6.791 1.00 0.00 C ATOM 0 H ALA A 56 13.512 8.313 4.775 1.00 0.00 H new ATOM 0 HA ALA A 56 15.609 10.267 5.507 1.00 0.00 H new ATOM 0 HB1 ALA A 56 14.437 10.348 7.682 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.366 10.808 6.337 1.00 0.00 H new ATOM 0 HB3 ALA A 56 13.233 9.191 7.068 1.00 0.00 H new ATOM 777 N THR A 57 16.582 8.735 7.435 1.00 0.00 N ATOM 778 CA THR A 57 17.440 7.784 8.130 1.00 0.00 C ATOM 779 C THR A 57 17.437 8.038 9.633 1.00 0.00 C ATOM 780 O THR A 57 17.224 9.164 10.081 1.00 0.00 O ATOM 781 CB THR A 57 18.889 7.852 7.612 1.00 0.00 C ATOM 782 OG1 THR A 57 19.459 9.129 7.917 1.00 0.00 O ATOM 783 CG2 THR A 57 18.938 7.615 6.110 1.00 0.00 C ATOM 0 H THR A 57 16.649 9.693 7.779 1.00 0.00 H new ATOM 0 HA THR A 57 17.037 6.791 7.931 1.00 0.00 H new ATOM 0 HB THR A 57 19.465 7.070 8.107 1.00 0.00 H new ATOM 0 HG1 THR A 57 20.381 9.163 7.586 1.00 0.00 H new ATOM 0 HG21 THR A 57 19.971 7.668 5.767 1.00 0.00 H new ATOM 0 HG22 THR A 57 18.530 6.630 5.884 1.00 0.00 H new ATOM 0 HG23 THR A 57 18.348 8.377 5.602 1.00 0.00 H new ATOM 791 N ALA A 58 17.677 6.985 10.407 1.00 0.00 N ATOM 792 CA ALA A 58 17.705 7.095 11.860 1.00 0.00 C ATOM 793 C ALA A 58 18.530 5.972 12.480 1.00 0.00 C ATOM 794 O ALA A 58 18.645 4.877 11.929 1.00 0.00 O ATOM 795 CB ALA A 58 16.289 7.082 12.418 1.00 0.00 C ATOM 0 H ALA A 58 17.855 6.046 10.052 1.00 0.00 H new ATOM 0 HA ALA A 58 18.177 8.043 12.119 1.00 0.00 H new ATOM 0 HB1 ALA A 58 16.325 7.165 13.504 1.00 0.00 H new ATOM 0 HB2 ALA A 58 15.729 7.923 12.008 1.00 0.00 H new ATOM 0 HB3 ALA A 58 15.797 6.149 12.141 1.00 0.00 H new ATOM 801 N PRO A 59 19.119 6.247 13.653 1.00 0.00 N ATOM 802 CA PRO A 59 19.944 5.273 14.373 1.00 0.00 C ATOM 803 C PRO A 59 19.118 4.125 14.945 1.00 0.00 C ATOM 804 O PRO A 59 19.661 3.198 15.545 1.00 0.00 O ATOM 805 CB PRO A 59 20.566 6.099 15.501 1.00 0.00 C ATOM 806 CG PRO A 59 19.614 7.224 15.716 1.00 0.00 C ATOM 807 CD PRO A 59 19.025 7.532 14.367 1.00 0.00 C ATOM 0 HA PRO A 59 20.677 4.798 13.721 1.00 0.00 H new ATOM 0 HB2 PRO A 59 20.687 5.504 16.407 1.00 0.00 H new ATOM 0 HB3 PRO A 59 21.555 6.465 15.225 1.00 0.00 H new ATOM 0 HG2 PRO A 59 18.836 6.946 16.427 1.00 0.00 H new ATOM 0 HG3 PRO A 59 20.125 8.095 16.127 1.00 0.00 H new ATOM 0 HD2 PRO A 59 17.993 7.873 14.447 1.00 0.00 H new ATOM 0 HD3 PRO A 59 19.581 8.318 13.855 1.00 0.00 H new ATOM 815 N GLU A 60 17.805 4.195 14.755 1.00 0.00 N ATOM 816 CA GLU A 60 16.905 3.161 15.254 1.00 0.00 C ATOM 817 C GLU A 60 16.211 2.442 14.101 1.00 0.00 C ATOM 818 O GLU A 60 16.207 1.213 14.035 1.00 0.00 O ATOM 819 CB GLU A 60 15.861 3.771 16.192 1.00 0.00 C ATOM 820 CG GLU A 60 16.449 4.320 17.482 1.00 0.00 C ATOM 821 CD GLU A 60 16.751 3.233 18.494 1.00 0.00 C ATOM 822 OE1 GLU A 60 15.806 2.533 18.915 1.00 0.00 O ATOM 823 OE2 GLU A 60 17.934 3.081 18.865 1.00 0.00 O ATOM 0 H GLU A 60 17.340 4.956 14.260 1.00 0.00 H new ATOM 0 HA GLU A 60 17.499 2.434 15.808 1.00 0.00 H new ATOM 0 HB2 GLU A 60 15.340 4.573 15.670 1.00 0.00 H new ATOM 0 HB3 GLU A 60 15.116 3.013 16.435 1.00 0.00 H new ATOM 0 HG2 GLU A 60 17.365 4.866 17.256 1.00 0.00 H new ATOM 0 HG3 GLU A 60 15.752 5.035 17.919 1.00 0.00 H new ATOM 830 N ALA A 61 15.624 3.217 13.195 1.00 0.00 N ATOM 831 CA ALA A 61 14.928 2.655 12.045 1.00 0.00 C ATOM 832 C ALA A 61 15.913 2.230 10.961 1.00 0.00 C ATOM 833 O ALA A 61 15.888 2.753 9.848 1.00 0.00 O ATOM 834 CB ALA A 61 13.930 3.660 11.489 1.00 0.00 C ATOM 0 H ALA A 61 15.617 4.236 13.236 1.00 0.00 H new ATOM 0 HA ALA A 61 14.388 1.768 12.376 1.00 0.00 H new ATOM 0 HB1 ALA A 61 13.417 3.227 10.630 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.200 3.912 12.258 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.457 4.563 11.180 1.00 0.00 H new ATOM 840 N GLN A 62 16.779 1.279 11.295 1.00 0.00 N ATOM 841 CA GLN A 62 17.774 0.785 10.350 1.00 0.00 C ATOM 842 C GLN A 62 17.791 -0.740 10.325 1.00 0.00 C ATOM 843 O GLN A 62 17.384 -1.391 11.287 1.00 0.00 O ATOM 844 CB GLN A 62 19.161 1.317 10.713 1.00 0.00 C ATOM 845 CG GLN A 62 19.502 1.171 12.187 1.00 0.00 C ATOM 846 CD GLN A 62 20.980 1.363 12.466 1.00 0.00 C ATOM 847 OE1 GLN A 62 21.300 2.328 13.321 1.00 0.00 O flip ATOM 848 NE2 GLN A 62 21.824 0.653 11.920 1.00 0.00 N flip ATOM 0 H GLN A 62 16.812 0.835 12.213 1.00 0.00 H new ATOM 0 HA GLN A 62 17.504 1.143 9.356 1.00 0.00 H new ATOM 0 HB2 GLN A 62 19.909 0.790 10.122 1.00 0.00 H new ATOM 0 HB3 GLN A 62 19.221 2.370 10.437 1.00 0.00 H new ATOM 0 HG2 GLN A 62 18.930 1.899 12.762 1.00 0.00 H new ATOM 0 HG3 GLN A 62 19.197 0.183 12.530 1.00 0.00 H new ATOM 0 HE21 GLN A 62 21.533 -0.077 11.270 1.00 0.00 H new ATOM 0 HE22 GLN A 62 22.815 0.794 12.118 1.00 0.00 H new ATOM 857 N ARG A 63 18.263 -1.303 9.217 1.00 0.00 N ATOM 858 CA ARG A 63 18.331 -2.751 9.066 1.00 0.00 C ATOM 859 C ARG A 63 16.962 -3.387 9.294 1.00 0.00 C ATOM 860 O ARG A 63 16.866 -4.548 9.690 1.00 0.00 O ATOM 861 CB ARG A 63 19.348 -3.340 10.045 1.00 0.00 C ATOM 862 CG ARG A 63 20.790 -3.195 9.586 1.00 0.00 C ATOM 863 CD ARG A 63 21.077 -4.062 8.370 1.00 0.00 C ATOM 864 NE ARG A 63 20.817 -3.354 7.119 1.00 0.00 N ATOM 865 CZ ARG A 63 21.673 -2.502 6.566 1.00 0.00 C ATOM 866 NH1 ARG A 63 22.837 -2.254 7.150 1.00 0.00 N ATOM 867 NH2 ARG A 63 21.365 -1.897 5.426 1.00 0.00 N ATOM 0 H ARG A 63 18.604 -0.778 8.411 1.00 0.00 H new ATOM 0 HA ARG A 63 18.649 -2.970 8.047 1.00 0.00 H new ATOM 0 HB2 ARG A 63 19.233 -2.852 11.013 1.00 0.00 H new ATOM 0 HB3 ARG A 63 19.127 -4.397 10.193 1.00 0.00 H new ATOM 0 HG2 ARG A 63 20.994 -2.151 9.346 1.00 0.00 H new ATOM 0 HG3 ARG A 63 21.461 -3.472 10.399 1.00 0.00 H new ATOM 0 HD2 ARG A 63 22.117 -4.386 8.393 1.00 0.00 H new ATOM 0 HD3 ARG A 63 20.462 -4.961 8.412 1.00 0.00 H new ATOM 0 HE ARG A 63 19.930 -3.523 6.644 1.00 0.00 H new ATOM 0 HH11 ARG A 63 23.077 -2.718 8.026 1.00 0.00 H new ATOM 0 HH12 ARG A 63 23.492 -1.599 6.723 1.00 0.00 H new ATOM 0 HH21 ARG A 63 20.470 -2.086 4.974 1.00 0.00 H new ATOM 0 HH22 ARG A 63 22.023 -1.243 5.002 1.00 0.00 H new ATOM 881 N GLU A 64 15.908 -2.617 9.042 1.00 0.00 N ATOM 882 CA GLU A 64 14.546 -3.105 9.221 1.00 0.00 C ATOM 883 C GLU A 64 13.786 -3.095 7.898 1.00 0.00 C ATOM 884 O GLU A 64 13.929 -2.174 7.093 1.00 0.00 O ATOM 885 CB GLU A 64 13.807 -2.251 10.253 1.00 0.00 C ATOM 886 CG GLU A 64 12.523 -2.886 10.761 1.00 0.00 C ATOM 887 CD GLU A 64 12.772 -3.935 11.826 1.00 0.00 C ATOM 888 OE1 GLU A 64 13.857 -4.554 11.807 1.00 0.00 O ATOM 889 OE2 GLU A 64 11.883 -4.137 12.679 1.00 0.00 O ATOM 0 H GLU A 64 15.971 -1.653 8.714 1.00 0.00 H new ATOM 0 HA GLU A 64 14.600 -4.132 9.581 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.469 -2.064 11.098 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.573 -1.283 9.811 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.874 -2.110 11.166 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.992 -3.341 9.925 1.00 0.00 H new ATOM 896 N THR A 65 12.978 -4.128 7.679 1.00 0.00 N ATOM 897 CA THR A 65 12.196 -4.240 6.454 1.00 0.00 C ATOM 898 C THR A 65 10.713 -4.015 6.726 1.00 0.00 C ATOM 899 O THR A 65 10.084 -4.773 7.464 1.00 0.00 O ATOM 900 CB THR A 65 12.382 -5.620 5.794 1.00 0.00 C ATOM 901 OG1 THR A 65 12.446 -6.639 6.799 1.00 0.00 O ATOM 902 CG2 THR A 65 13.647 -5.651 4.951 1.00 0.00 C ATOM 0 H THR A 65 12.848 -4.899 8.334 1.00 0.00 H new ATOM 0 HA THR A 65 12.559 -3.468 5.775 1.00 0.00 H new ATOM 0 HB THR A 65 11.527 -5.805 5.143 1.00 0.00 H new ATOM 0 HG1 THR A 65 11.711 -6.517 7.435 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.757 -6.635 4.495 1.00 0.00 H new ATOM 0 HG22 THR A 65 13.582 -4.894 4.169 1.00 0.00 H new ATOM 0 HG23 THR A 65 14.511 -5.446 5.583 1.00 0.00 H new ATOM 910 N VAL A 66 10.159 -2.967 6.123 1.00 0.00 N ATOM 911 CA VAL A 66 8.748 -2.643 6.298 1.00 0.00 C ATOM 912 C VAL A 66 7.947 -2.977 5.045 1.00 0.00 C ATOM 913 O VAL A 66 8.515 -3.231 3.982 1.00 0.00 O ATOM 914 CB VAL A 66 8.553 -1.153 6.637 1.00 0.00 C ATOM 915 CG1 VAL A 66 9.338 -0.782 7.886 1.00 0.00 C ATOM 916 CG2 VAL A 66 8.964 -0.281 5.460 1.00 0.00 C ATOM 0 H VAL A 66 10.666 -2.329 5.510 1.00 0.00 H new ATOM 0 HA VAL A 66 8.385 -3.248 7.129 1.00 0.00 H new ATOM 0 HB VAL A 66 7.496 -0.979 6.837 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.188 0.274 8.110 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.991 -1.384 8.726 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.398 -0.970 7.719 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.820 0.768 5.717 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.014 -0.456 5.226 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.353 -0.529 4.592 1.00 0.00 H new ATOM 926 N PHE A 67 6.625 -2.975 5.176 1.00 0.00 N ATOM 927 CA PHE A 67 5.745 -3.279 4.054 1.00 0.00 C ATOM 928 C PHE A 67 5.157 -2.001 3.462 1.00 0.00 C ATOM 929 O PHE A 67 4.537 -1.205 4.168 1.00 0.00 O ATOM 930 CB PHE A 67 4.618 -4.213 4.500 1.00 0.00 C ATOM 931 CG PHE A 67 5.054 -5.641 4.666 1.00 0.00 C ATOM 932 CD1 PHE A 67 5.551 -6.357 3.589 1.00 0.00 C ATOM 933 CD2 PHE A 67 4.967 -6.266 5.899 1.00 0.00 C ATOM 934 CE1 PHE A 67 5.951 -7.671 3.739 1.00 0.00 C ATOM 935 CE2 PHE A 67 5.367 -7.580 6.056 1.00 0.00 C ATOM 936 CZ PHE A 67 5.861 -8.283 4.975 1.00 0.00 C ATOM 0 H PHE A 67 6.139 -2.766 6.048 1.00 0.00 H new ATOM 0 HA PHE A 67 6.337 -3.776 3.285 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.211 -3.853 5.445 1.00 0.00 H new ATOM 0 HB3 PHE A 67 3.811 -4.170 3.769 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.627 -5.883 2.622 1.00 0.00 H new ATOM 0 HD2 PHE A 67 4.582 -5.720 6.748 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.334 -8.220 2.891 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.293 -8.056 7.023 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.176 -9.309 5.095 1.00 0.00 H new ATOM 946 N VAL A 68 5.357 -1.811 2.162 1.00 0.00 N ATOM 947 CA VAL A 68 4.847 -0.631 1.474 1.00 0.00 C ATOM 948 C VAL A 68 3.995 -1.021 0.272 1.00 0.00 C ATOM 949 O VAL A 68 3.929 -2.192 -0.103 1.00 0.00 O ATOM 950 CB VAL A 68 5.994 0.283 1.002 1.00 0.00 C ATOM 951 CG1 VAL A 68 6.848 0.720 2.182 1.00 0.00 C ATOM 952 CG2 VAL A 68 6.840 -0.423 -0.047 1.00 0.00 C ATOM 0 H VAL A 68 5.869 -2.459 1.564 1.00 0.00 H new ATOM 0 HA VAL A 68 4.231 -0.088 2.191 1.00 0.00 H new ATOM 0 HB VAL A 68 5.562 1.174 0.547 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.653 1.365 1.829 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.231 1.267 2.895 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.273 -0.158 2.668 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.645 0.237 -0.369 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.264 -1.332 0.379 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.217 -0.680 -0.904 1.00 0.00 H new ATOM 962 N CYS A 69 3.344 -0.031 -0.330 1.00 0.00 N ATOM 963 CA CYS A 69 2.495 -0.269 -1.492 1.00 0.00 C ATOM 964 C CYS A 69 3.297 -0.155 -2.785 1.00 0.00 C ATOM 965 O CYS A 69 4.172 0.701 -2.911 1.00 0.00 O ATOM 966 CB CYS A 69 1.331 0.724 -1.511 1.00 0.00 C ATOM 967 SG CYS A 69 1.821 2.435 -1.901 1.00 0.00 S ATOM 0 H CYS A 69 3.388 0.944 -0.033 1.00 0.00 H new ATOM 0 HA CYS A 69 2.099 -1.282 -1.420 1.00 0.00 H new ATOM 0 HB2 CYS A 69 0.596 0.392 -2.244 1.00 0.00 H new ATOM 0 HB3 CYS A 69 0.840 0.711 -0.538 1.00 0.00 H new ATOM 972 N ALA A 70 2.992 -1.025 -3.742 1.00 0.00 N ATOM 973 CA ALA A 70 3.682 -1.020 -5.026 1.00 0.00 C ATOM 974 C ALA A 70 4.008 0.402 -5.470 1.00 0.00 C ATOM 975 O ALA A 70 5.168 0.738 -5.708 1.00 0.00 O ATOM 976 CB ALA A 70 2.840 -1.724 -6.080 1.00 0.00 C ATOM 0 H ALA A 70 2.272 -1.742 -3.653 1.00 0.00 H new ATOM 0 HA ALA A 70 4.622 -1.559 -4.907 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.367 -1.713 -7.034 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.663 -2.755 -5.775 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.886 -1.209 -6.187 1.00 0.00 H new ATOM 982 N SER A 71 2.977 1.233 -5.579 1.00 0.00 N ATOM 983 CA SER A 71 3.153 2.619 -5.999 1.00 0.00 C ATOM 984 C SER A 71 4.388 3.231 -5.344 1.00 0.00 C ATOM 985 O SER A 71 5.146 3.961 -5.984 1.00 0.00 O ATOM 986 CB SER A 71 1.913 3.443 -5.646 1.00 0.00 C ATOM 987 OG SER A 71 2.025 4.768 -6.134 1.00 0.00 O ATOM 0 H SER A 71 2.011 0.971 -5.382 1.00 0.00 H new ATOM 0 HA SER A 71 3.292 2.631 -7.080 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.026 2.970 -6.068 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.780 3.461 -4.564 1.00 0.00 H new ATOM 0 HG SER A 71 1.219 5.273 -5.897 1.00 0.00 H new ATOM 993 N CYS A 72 4.583 2.930 -4.065 1.00 0.00 N ATOM 994 CA CYS A 72 5.724 3.450 -3.322 1.00 0.00 C ATOM 995 C CYS A 72 6.981 2.635 -3.614 1.00 0.00 C ATOM 996 O CYS A 72 7.947 3.147 -4.177 1.00 0.00 O ATOM 997 CB CYS A 72 5.431 3.435 -1.820 1.00 0.00 C ATOM 998 SG CYS A 72 4.148 4.619 -1.301 1.00 0.00 S ATOM 0 H CYS A 72 3.965 2.328 -3.521 1.00 0.00 H new ATOM 0 HA CYS A 72 5.896 4.478 -3.642 1.00 0.00 H new ATOM 0 HB2 CYS A 72 5.122 2.431 -1.531 1.00 0.00 H new ATOM 0 HB3 CYS A 72 6.352 3.653 -1.279 1.00 0.00 H new ATOM 1003 N ASN A 73 6.958 1.364 -3.228 1.00 0.00 N ATOM 1004 CA ASN A 73 8.095 0.478 -3.448 1.00 0.00 C ATOM 1005 C ASN A 73 8.799 0.812 -4.760 1.00 0.00 C ATOM 1006 O ASN A 73 10.027 0.791 -4.838 1.00 0.00 O ATOM 1007 CB ASN A 73 7.636 -0.982 -3.460 1.00 0.00 C ATOM 1008 CG ASN A 73 8.768 -1.941 -3.773 1.00 0.00 C ATOM 1009 OD1 ASN A 73 9.399 -2.491 -2.870 1.00 0.00 O ATOM 1010 ND2 ASN A 73 9.031 -2.147 -5.058 1.00 0.00 N ATOM 0 H ASN A 73 6.165 0.924 -2.761 1.00 0.00 H new ATOM 0 HA ASN A 73 8.801 0.623 -2.630 1.00 0.00 H new ATOM 0 HB2 ASN A 73 7.208 -1.234 -2.490 1.00 0.00 H new ATOM 0 HB3 ASN A 73 6.844 -1.105 -4.199 1.00 0.00 H new ATOM 0 HD21 ASN A 73 9.781 -2.782 -5.330 1.00 0.00 H new ATOM 0 HD22 ASN A 73 8.483 -1.670 -5.774 1.00 0.00 H new ATOM 1017 N GLN A 74 8.012 1.119 -5.786 1.00 0.00 N ATOM 1018 CA GLN A 74 8.560 1.458 -7.094 1.00 0.00 C ATOM 1019 C GLN A 74 9.321 2.779 -7.040 1.00 0.00 C ATOM 1020 O GLN A 74 10.448 2.879 -7.527 1.00 0.00 O ATOM 1021 CB GLN A 74 7.441 1.542 -8.133 1.00 0.00 C ATOM 1022 CG GLN A 74 6.913 0.185 -8.570 1.00 0.00 C ATOM 1023 CD GLN A 74 5.906 0.287 -9.699 1.00 0.00 C ATOM 1024 OE1 GLN A 74 4.697 0.245 -9.473 1.00 0.00 O ATOM 1025 NE2 GLN A 74 6.401 0.421 -10.924 1.00 0.00 N ATOM 0 H GLN A 74 6.993 1.140 -5.737 1.00 0.00 H new ATOM 0 HA GLN A 74 9.256 0.671 -7.383 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.618 2.127 -7.722 1.00 0.00 H new ATOM 0 HB3 GLN A 74 7.808 2.078 -9.008 1.00 0.00 H new ATOM 0 HG2 GLN A 74 7.747 -0.440 -8.888 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.449 -0.312 -7.718 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.411 0.451 -11.066 1.00 0.00 H new ATOM 0 HE22 GLN A 74 5.772 0.494 -11.723 1.00 0.00 H new ATOM 1034 N THR A 75 8.698 3.791 -6.444 1.00 0.00 N ATOM 1035 CA THR A 75 9.316 5.106 -6.328 1.00 0.00 C ATOM 1036 C THR A 75 10.482 5.081 -5.346 1.00 0.00 C ATOM 1037 O THR A 75 11.595 5.492 -5.678 1.00 0.00 O ATOM 1038 CB THR A 75 8.297 6.166 -5.870 1.00 0.00 C ATOM 1039 OG1 THR A 75 7.356 6.427 -6.918 1.00 0.00 O ATOM 1040 CG2 THR A 75 8.998 7.458 -5.479 1.00 0.00 C ATOM 0 H THR A 75 7.766 3.725 -6.034 1.00 0.00 H new ATOM 0 HA THR A 75 9.685 5.371 -7.319 1.00 0.00 H new ATOM 0 HB THR A 75 7.771 5.778 -4.998 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.711 7.101 -6.618 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.258 8.191 -5.159 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.692 7.262 -4.661 1.00 0.00 H new ATOM 0 HG23 THR A 75 9.548 7.847 -6.336 1.00 0.00 H new ATOM 1048 N LEU A 76 10.221 4.597 -4.137 1.00 0.00 N ATOM 1049 CA LEU A 76 11.250 4.518 -3.107 1.00 0.00 C ATOM 1050 C LEU A 76 12.561 3.994 -3.685 1.00 0.00 C ATOM 1051 O LEU A 76 13.611 4.620 -3.536 1.00 0.00 O ATOM 1052 CB LEU A 76 10.787 3.613 -1.963 1.00 0.00 C ATOM 1053 CG LEU A 76 9.556 4.087 -1.189 1.00 0.00 C ATOM 1054 CD1 LEU A 76 9.146 3.052 -0.153 1.00 0.00 C ATOM 1055 CD2 LEU A 76 9.827 5.430 -0.527 1.00 0.00 C ATOM 0 H LEU A 76 9.306 4.253 -3.846 1.00 0.00 H new ATOM 0 HA LEU A 76 11.420 5.523 -2.721 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.577 2.624 -2.371 1.00 0.00 H new ATOM 0 HB3 LEU A 76 11.612 3.499 -1.260 1.00 0.00 H new ATOM 0 HG LEU A 76 8.733 4.211 -1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 76 8.269 3.406 0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.910 2.112 -0.652 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.965 2.895 0.548 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.940 5.752 0.019 1.00 0.00 H new ATOM 0 HD22 LEU A 76 10.664 5.332 0.165 1.00 0.00 H new ATOM 0 HD23 LEU A 76 10.071 6.169 -1.290 1.00 0.00 H new ATOM 1067 N SER A 77 12.492 2.844 -4.347 1.00 0.00 N ATOM 1068 CA SER A 77 13.673 2.235 -4.947 1.00 0.00 C ATOM 1069 C SER A 77 13.684 2.443 -6.458 1.00 0.00 C ATOM 1070 O SER A 77 13.451 1.510 -7.227 1.00 0.00 O ATOM 1071 CB SER A 77 13.721 0.740 -4.626 1.00 0.00 C ATOM 1072 OG SER A 77 12.610 0.062 -5.188 1.00 0.00 O ATOM 0 H SER A 77 11.630 2.315 -4.482 1.00 0.00 H new ATOM 0 HA SER A 77 14.554 2.718 -4.525 1.00 0.00 H new ATOM 0 HB2 SER A 77 14.646 0.311 -5.012 1.00 0.00 H new ATOM 0 HB3 SER A 77 13.730 0.597 -3.545 1.00 0.00 H new ATOM 0 HG SER A 77 11.781 0.420 -4.807 1.00 0.00 H new ATOM 1078 N LYS A 78 13.956 3.674 -6.877 1.00 0.00 N ATOM 1079 CA LYS A 78 13.998 4.008 -8.296 1.00 0.00 C ATOM 1080 C LYS A 78 15.267 4.785 -8.634 1.00 0.00 C ATOM 1081 O LYS A 78 15.817 5.491 -7.790 1.00 0.00 O ATOM 1082 CB LYS A 78 12.766 4.827 -8.686 1.00 0.00 C ATOM 1083 CG LYS A 78 12.926 6.318 -8.442 1.00 0.00 C ATOM 1084 CD LYS A 78 11.791 7.110 -9.069 1.00 0.00 C ATOM 1085 CE LYS A 78 12.087 8.602 -9.072 1.00 0.00 C ATOM 1086 NZ LYS A 78 10.847 9.414 -9.216 1.00 0.00 N ATOM 0 H LYS A 78 14.151 4.458 -6.254 1.00 0.00 H new ATOM 0 HA LYS A 78 14.001 3.077 -8.863 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.549 4.661 -9.741 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.906 4.465 -8.123 1.00 0.00 H new ATOM 0 HG2 LYS A 78 12.957 6.511 -7.370 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.877 6.655 -8.854 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.629 6.768 -10.091 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.868 6.922 -8.520 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.593 8.874 -8.146 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.770 8.835 -9.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.092 10.425 -9.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.377 9.174 -10.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.205 9.211 -8.423 1.00 0.00 H new ATOM 1100 N SER A 79 15.724 4.650 -9.875 1.00 0.00 N ATOM 1101 CA SER A 79 16.929 5.338 -10.324 1.00 0.00 C ATOM 1102 C SER A 79 16.775 6.850 -10.188 1.00 0.00 C ATOM 1103 O SER A 79 15.883 7.450 -10.786 1.00 0.00 O ATOM 1104 CB SER A 79 17.238 4.975 -11.778 1.00 0.00 C ATOM 1105 OG SER A 79 18.444 5.581 -12.210 1.00 0.00 O ATOM 0 H SER A 79 15.278 4.071 -10.587 1.00 0.00 H new ATOM 0 HA SER A 79 17.757 5.016 -9.692 1.00 0.00 H new ATOM 0 HB2 SER A 79 17.316 3.892 -11.877 1.00 0.00 H new ATOM 0 HB3 SER A 79 16.416 5.296 -12.419 1.00 0.00 H new ATOM 0 HG SER A 79 18.620 5.332 -13.141 1.00 0.00 H new ATOM 1111 N GLY A 80 17.651 7.459 -9.395 1.00 0.00 N ATOM 1112 CA GLY A 80 17.596 8.895 -9.193 1.00 0.00 C ATOM 1113 C GLY A 80 17.484 9.660 -10.497 1.00 0.00 C ATOM 1114 O GLY A 80 18.115 9.318 -11.498 1.00 0.00 O ATOM 0 H GLY A 80 18.398 6.983 -8.889 1.00 0.00 H new ATOM 0 HA2 GLY A 80 16.743 9.137 -8.559 1.00 0.00 H new ATOM 0 HA3 GLY A 80 18.491 9.219 -8.661 1.00 0.00 H new ATOM 1118 N PRO A 81 16.664 10.721 -10.497 1.00 0.00 N ATOM 1119 CA PRO A 81 16.451 11.558 -11.682 1.00 0.00 C ATOM 1120 C PRO A 81 17.682 12.386 -12.035 1.00 0.00 C ATOM 1121 O PRO A 81 18.547 12.621 -11.191 1.00 0.00 O ATOM 1122 CB PRO A 81 15.294 12.470 -11.269 1.00 0.00 C ATOM 1123 CG PRO A 81 15.369 12.529 -9.782 1.00 0.00 C ATOM 1124 CD PRO A 81 15.881 11.186 -9.340 1.00 0.00 C ATOM 0 HA PRO A 81 16.245 10.961 -12.571 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.395 13.462 -11.710 1.00 0.00 H new ATOM 0 HB3 PRO A 81 14.336 12.069 -11.601 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.036 13.327 -9.456 1.00 0.00 H new ATOM 0 HG3 PRO A 81 14.390 12.735 -9.350 1.00 0.00 H new ATOM 0 HD2 PRO A 81 16.497 11.266 -8.444 1.00 0.00 H new ATOM 0 HD3 PRO A 81 15.065 10.502 -9.106 1.00 0.00 H new ATOM 1132 N SER A 82 17.755 12.826 -13.287 1.00 0.00 N ATOM 1133 CA SER A 82 18.882 13.626 -13.752 1.00 0.00 C ATOM 1134 C SER A 82 18.791 15.053 -13.221 1.00 0.00 C ATOM 1135 O SER A 82 17.892 15.808 -13.590 1.00 0.00 O ATOM 1136 CB SER A 82 18.927 13.640 -15.281 1.00 0.00 C ATOM 1137 OG SER A 82 19.469 12.433 -15.787 1.00 0.00 O ATOM 0 H SER A 82 17.047 12.642 -13.998 1.00 0.00 H new ATOM 0 HA SER A 82 19.798 13.174 -13.373 1.00 0.00 H new ATOM 0 HB2 SER A 82 17.921 13.784 -15.676 1.00 0.00 H new ATOM 0 HB3 SER A 82 19.528 14.483 -15.622 1.00 0.00 H new ATOM 0 HG SER A 82 19.485 12.467 -16.766 1.00 0.00 H new ATOM 1143 N SER A 83 19.730 15.415 -12.352 1.00 0.00 N ATOM 1144 CA SER A 83 19.755 16.750 -11.766 1.00 0.00 C ATOM 1145 C SER A 83 19.644 17.820 -12.848 1.00 0.00 C ATOM 1146 O SER A 83 18.769 18.683 -12.796 1.00 0.00 O ATOM 1147 CB SER A 83 21.040 16.952 -10.961 1.00 0.00 C ATOM 1148 OG SER A 83 21.168 18.298 -10.535 1.00 0.00 O ATOM 0 H SER A 83 20.483 14.803 -12.039 1.00 0.00 H new ATOM 0 HA SER A 83 18.899 16.844 -11.098 1.00 0.00 H new ATOM 0 HB2 SER A 83 21.037 16.291 -10.094 1.00 0.00 H new ATOM 0 HB3 SER A 83 21.901 16.676 -11.569 1.00 0.00 H new ATOM 0 HG SER A 83 21.996 18.401 -10.021 1.00 0.00 H new ATOM 1154 N GLY A 84 20.540 17.756 -13.828 1.00 0.00 N ATOM 1155 CA GLY A 84 20.527 18.725 -14.909 1.00 0.00 C ATOM 1156 C GLY A 84 19.124 19.040 -15.388 1.00 0.00 C ATOM 1157 O GLY A 84 18.766 20.214 -15.461 1.00 0.00 O ATOM 0 H GLY A 84 21.274 17.051 -13.893 1.00 0.00 H new ATOM 0 HA2 GLY A 84 21.008 19.644 -14.575 1.00 0.00 H new ATOM 0 HA3 GLY A 84 21.115 18.342 -15.743 1.00 0.00 H new TER 1161 GLY A 84 HETATM 1162 ZN ZN A 201 -4.322 -3.230 -4.473 1.00 0.00 ZN HETATM 1163 ZN ZN A 401 2.468 3.652 -0.031 1.00 0.00 ZN