USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 466 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 58 THR OG1 : rot 180:sc= -0.375 USER MOD Set 1.2: A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 170:sc= 1.3 (180deg=1.11) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.173 K(o=-0.17,f=-3.4!) USER MOD Single : A 18 THR OG1 : rot -10:sc= 0.0195! USER MOD Single : A 20 LYS NZ :NH3+ 152:sc= -0.205 (180deg=-1) USER MOD Single : A 26 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.14) USER MOD Single : A 35 GLN :FLIP amide:sc= -0.0241 F(o=-0.56,f=-0.024) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -40:sc= -2.13! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.231 K(o=-0.23,f=-3!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.463 27.517 1.791 1.00 0.00 N ATOM 2 CA GLY A 1 -5.682 26.900 1.197 1.00 0.00 C ATOM 3 C GLY A 1 -6.649 28.000 0.757 1.00 0.00 C ATOM 4 O GLY A 1 -7.098 28.032 -0.372 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.885 26.779 2.241 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.910 27.982 1.043 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.742 28.221 2.504 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.409 26.279 0.344 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.164 26.248 1.925 1.00 0.00 H new ATOM 10 N LYS A 2 -6.975 28.904 1.641 1.00 0.00 N ATOM 11 CA LYS A 2 -7.914 30.001 1.273 1.00 0.00 C ATOM 12 C LYS A 2 -7.125 31.174 0.689 1.00 0.00 C ATOM 13 O LYS A 2 -7.383 31.620 -0.412 1.00 0.00 O ATOM 14 CB LYS A 2 -8.667 30.467 2.522 1.00 0.00 C ATOM 15 CG LYS A 2 -9.648 29.380 2.963 1.00 0.00 C ATOM 16 CD LYS A 2 -11.078 29.823 2.647 1.00 0.00 C ATOM 17 CE LYS A 2 -12.058 28.722 3.060 1.00 0.00 C ATOM 18 NZ LYS A 2 -12.718 28.162 1.847 1.00 0.00 N ATOM 0 H LYS A 2 -6.632 28.930 2.601 1.00 0.00 H new ATOM 0 HA LYS A 2 -8.626 29.636 0.532 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -7.962 30.683 3.325 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -9.204 31.392 2.312 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.424 28.444 2.451 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -9.542 29.192 4.031 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.309 30.747 3.177 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.178 30.032 1.582 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -11.530 27.933 3.596 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.807 29.125 3.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -13.384 27.414 2.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -13.234 28.917 1.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -11.997 27.763 1.212 1.00 0.00 H new ATOM 32 N GLU A 3 -6.166 31.678 1.416 1.00 0.00 N ATOM 33 CA GLU A 3 -5.363 32.821 0.901 1.00 0.00 C ATOM 34 C GLU A 3 -3.902 32.393 0.750 1.00 0.00 C ATOM 35 O GLU A 3 -3.075 33.139 0.262 1.00 0.00 O ATOM 36 CB GLU A 3 -5.452 33.989 1.885 1.00 0.00 C ATOM 37 CG GLU A 3 -6.026 35.214 1.172 1.00 0.00 C ATOM 38 CD GLU A 3 -5.168 35.541 -0.052 1.00 0.00 C ATOM 39 OE1 GLU A 3 -3.959 35.407 0.044 1.00 0.00 O ATOM 40 OE2 GLU A 3 -5.735 35.919 -1.064 1.00 0.00 O ATOM 0 H GLU A 3 -5.904 31.347 2.345 1.00 0.00 H new ATOM 0 HA GLU A 3 -5.752 33.130 -0.069 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.084 33.718 2.731 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -4.464 34.217 2.285 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -7.055 35.022 0.867 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -6.049 36.066 1.851 1.00 0.00 H new ATOM 47 N CYS A 4 -3.575 31.198 1.162 1.00 0.00 N ATOM 48 CA CYS A 4 -2.166 30.730 1.039 1.00 0.00 C ATOM 49 C CYS A 4 -2.082 29.630 -0.019 1.00 0.00 C ATOM 50 O CYS A 4 -2.483 28.506 0.207 1.00 0.00 O ATOM 51 CB CYS A 4 -1.687 30.179 2.383 1.00 0.00 C ATOM 52 SG CYS A 4 -1.646 31.509 3.608 1.00 0.00 S ATOM 0 H CYS A 4 -4.222 30.527 1.577 1.00 0.00 H new ATOM 0 HA CYS A 4 -1.534 31.568 0.745 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -2.352 29.383 2.718 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -0.695 29.741 2.274 1.00 0.00 H new ATOM 57 N ASP A 5 -1.554 29.942 -1.170 1.00 0.00 N ATOM 58 CA ASP A 5 -1.435 28.914 -2.239 1.00 0.00 C ATOM 59 C ASP A 5 0.020 28.450 -2.325 1.00 0.00 C ATOM 60 O ASP A 5 0.407 27.750 -3.239 1.00 0.00 O ATOM 61 CB ASP A 5 -1.856 29.528 -3.575 1.00 0.00 C ATOM 62 CG ASP A 5 -2.199 28.414 -4.565 1.00 0.00 C ATOM 63 OD1 ASP A 5 -1.971 27.262 -4.234 1.00 0.00 O ATOM 64 OD2 ASP A 5 -2.683 28.732 -5.639 1.00 0.00 O ATOM 0 H ASP A 5 -1.200 30.866 -1.416 1.00 0.00 H new ATOM 0 HA ASP A 5 -2.077 28.063 -2.011 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -2.718 30.180 -3.432 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -1.051 30.147 -3.972 1.00 0.00 H new ATOM 69 N CYS A 6 0.833 28.849 -1.383 1.00 0.00 N ATOM 70 CA CYS A 6 2.266 28.449 -1.411 1.00 0.00 C ATOM 71 C CYS A 6 2.864 28.632 -0.011 1.00 0.00 C ATOM 72 O CYS A 6 2.900 29.724 0.521 1.00 0.00 O ATOM 73 CB CYS A 6 2.992 29.338 -2.430 1.00 0.00 C ATOM 74 SG CYS A 6 4.771 29.419 -2.083 1.00 0.00 S ATOM 0 H CYS A 6 0.563 29.436 -0.594 1.00 0.00 H new ATOM 0 HA CYS A 6 2.374 27.404 -1.701 1.00 0.00 H new ATOM 0 HB2 CYS A 6 2.833 28.948 -3.435 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.569 30.342 -2.407 1.00 0.00 H new ATOM 79 N SER A 7 3.333 27.573 0.589 1.00 0.00 N ATOM 80 CA SER A 7 3.925 27.692 1.952 1.00 0.00 C ATOM 81 C SER A 7 5.452 27.715 1.851 1.00 0.00 C ATOM 82 O SER A 7 6.146 27.856 2.838 1.00 0.00 O ATOM 83 CB SER A 7 3.488 26.500 2.803 1.00 0.00 C ATOM 84 OG SER A 7 2.102 26.615 3.099 1.00 0.00 O ATOM 0 H SER A 7 3.332 26.632 0.196 1.00 0.00 H new ATOM 0 HA SER A 7 3.581 28.616 2.415 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.682 25.569 2.271 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.067 26.466 3.726 1.00 0.00 H new ATOM 0 HG SER A 7 1.819 25.851 3.643 1.00 0.00 H new ATOM 90 N SER A 8 5.983 27.575 0.665 1.00 0.00 N ATOM 91 CA SER A 8 7.464 27.588 0.508 1.00 0.00 C ATOM 92 C SER A 8 7.968 29.037 0.536 1.00 0.00 C ATOM 93 O SER A 8 7.506 29.862 -0.227 1.00 0.00 O ATOM 94 CB SER A 8 7.838 26.950 -0.831 1.00 0.00 C ATOM 95 OG SER A 8 8.969 26.108 -0.649 1.00 0.00 O ATOM 0 H SER A 8 5.455 27.453 -0.199 1.00 0.00 H new ATOM 0 HA SER A 8 7.921 27.026 1.323 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.999 26.373 -1.219 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.060 27.723 -1.566 1.00 0.00 H new ATOM 0 HG SER A 8 9.211 25.696 -1.505 1.00 0.00 H new ATOM 101 N PRO A 9 8.902 29.309 1.417 1.00 0.00 N ATOM 102 CA PRO A 9 9.483 30.655 1.561 1.00 0.00 C ATOM 103 C PRO A 9 10.509 30.916 0.453 1.00 0.00 C ATOM 104 O PRO A 9 11.173 31.934 0.435 1.00 0.00 O ATOM 105 CB PRO A 9 10.162 30.608 2.933 1.00 0.00 C ATOM 106 CG PRO A 9 10.425 29.114 3.238 1.00 0.00 C ATOM 107 CD PRO A 9 9.463 28.308 2.347 1.00 0.00 C ATOM 0 HA PRO A 9 8.743 31.452 1.484 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.094 31.173 2.925 1.00 0.00 H new ATOM 0 HB3 PRO A 9 9.526 31.054 3.697 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.461 28.852 3.026 1.00 0.00 H new ATOM 0 HG3 PRO A 9 10.251 28.897 4.292 1.00 0.00 H new ATOM 0 HD2 PRO A 9 9.986 27.516 1.811 1.00 0.00 H new ATOM 0 HD3 PRO A 9 8.681 27.830 2.937 1.00 0.00 H new ATOM 115 N GLU A 10 10.642 30.004 -0.472 1.00 0.00 N ATOM 116 CA GLU A 10 11.624 30.201 -1.576 1.00 0.00 C ATOM 117 C GLU A 10 10.870 30.422 -2.890 1.00 0.00 C ATOM 118 O GLU A 10 11.268 31.215 -3.720 1.00 0.00 O ATOM 119 CB GLU A 10 12.511 28.960 -1.699 1.00 0.00 C ATOM 120 CG GLU A 10 13.963 29.389 -1.918 1.00 0.00 C ATOM 121 CD GLU A 10 14.523 28.684 -3.155 1.00 0.00 C ATOM 122 OE1 GLU A 10 13.944 27.690 -3.559 1.00 0.00 O ATOM 123 OE2 GLU A 10 15.521 29.152 -3.678 1.00 0.00 O ATOM 0 H GLU A 10 10.114 29.132 -0.511 1.00 0.00 H new ATOM 0 HA GLU A 10 12.246 31.070 -1.361 1.00 0.00 H new ATOM 0 HB2 GLU A 10 12.432 28.353 -0.797 1.00 0.00 H new ATOM 0 HB3 GLU A 10 12.174 28.341 -2.530 1.00 0.00 H new ATOM 0 HG2 GLU A 10 14.018 30.470 -2.046 1.00 0.00 H new ATOM 0 HG3 GLU A 10 14.563 29.141 -1.042 1.00 0.00 H new ATOM 130 N ASN A 11 9.781 29.730 -3.080 1.00 0.00 N ATOM 131 CA ASN A 11 8.998 29.902 -4.336 1.00 0.00 C ATOM 132 C ASN A 11 8.801 31.402 -4.604 1.00 0.00 C ATOM 133 O ASN A 11 8.193 32.091 -3.810 1.00 0.00 O ATOM 134 CB ASN A 11 7.635 29.227 -4.173 1.00 0.00 C ATOM 135 CG ASN A 11 7.418 28.231 -5.313 1.00 0.00 C ATOM 136 OD1 ASN A 11 7.790 28.489 -6.439 1.00 0.00 O ATOM 137 ND2 ASN A 11 6.826 27.094 -5.066 1.00 0.00 N ATOM 0 H ASN A 11 9.399 29.053 -2.420 1.00 0.00 H new ATOM 0 HA ASN A 11 9.531 29.449 -5.172 1.00 0.00 H new ATOM 0 HB2 ASN A 11 7.584 28.713 -3.213 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.844 29.977 -4.176 1.00 0.00 H new ATOM 0 HD21 ASN A 11 6.676 26.423 -5.819 1.00 0.00 H new ATOM 0 HD22 ASN A 11 6.513 26.877 -4.120 1.00 0.00 H new ATOM 144 N PRO A 12 9.330 31.869 -5.710 1.00 0.00 N ATOM 145 CA PRO A 12 9.232 33.290 -6.097 1.00 0.00 C ATOM 146 C PRO A 12 7.849 33.607 -6.675 1.00 0.00 C ATOM 147 O PRO A 12 7.421 34.745 -6.690 1.00 0.00 O ATOM 148 CB PRO A 12 10.316 33.445 -7.168 1.00 0.00 C ATOM 149 CG PRO A 12 10.574 32.029 -7.736 1.00 0.00 C ATOM 150 CD PRO A 12 10.068 31.032 -6.677 1.00 0.00 C ATOM 0 HA PRO A 12 9.365 33.968 -5.254 1.00 0.00 H new ATOM 0 HB2 PRO A 12 9.990 34.126 -7.955 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.227 33.864 -6.741 1.00 0.00 H new ATOM 0 HG2 PRO A 12 10.050 31.889 -8.682 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.635 31.878 -7.934 1.00 0.00 H new ATOM 0 HD2 PRO A 12 9.422 30.274 -7.121 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.894 30.506 -6.199 1.00 0.00 H new ATOM 158 N CYS A 13 7.149 32.618 -7.156 1.00 0.00 N ATOM 159 CA CYS A 13 5.799 32.875 -7.735 1.00 0.00 C ATOM 160 C CYS A 13 4.829 33.273 -6.625 1.00 0.00 C ATOM 161 O CYS A 13 3.884 34.006 -6.848 1.00 0.00 O ATOM 162 CB CYS A 13 5.292 31.609 -8.427 1.00 0.00 C ATOM 163 SG CYS A 13 5.728 31.668 -10.182 1.00 0.00 S ATOM 0 H CYS A 13 7.452 31.644 -7.174 1.00 0.00 H new ATOM 0 HA CYS A 13 5.866 33.685 -8.461 1.00 0.00 H new ATOM 0 HB2 CYS A 13 5.731 30.726 -7.961 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.211 31.526 -8.312 1.00 0.00 H new ATOM 168 N CYS A 14 5.046 32.796 -5.430 1.00 0.00 N ATOM 169 CA CYS A 14 4.123 33.149 -4.316 1.00 0.00 C ATOM 170 C CYS A 14 4.760 34.201 -3.409 1.00 0.00 C ATOM 171 O CYS A 14 5.963 34.255 -3.245 1.00 0.00 O ATOM 172 CB CYS A 14 3.800 31.898 -3.503 1.00 0.00 C ATOM 173 SG CYS A 14 5.303 31.263 -2.719 1.00 0.00 S ATOM 0 H CYS A 14 5.819 32.180 -5.178 1.00 0.00 H new ATOM 0 HA CYS A 14 3.205 33.559 -4.737 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.054 32.131 -2.743 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.368 31.135 -4.151 1.00 0.00 H new ATOM 178 N ASP A 15 3.952 35.037 -2.817 1.00 0.00 N ATOM 179 CA ASP A 15 4.485 36.093 -1.915 1.00 0.00 C ATOM 180 C ASP A 15 4.210 35.699 -0.463 1.00 0.00 C ATOM 181 O ASP A 15 3.128 35.260 -0.124 1.00 0.00 O ATOM 182 CB ASP A 15 3.786 37.419 -2.222 1.00 0.00 C ATOM 183 CG ASP A 15 4.468 38.091 -3.415 1.00 0.00 C ATOM 184 OD1 ASP A 15 4.895 37.378 -4.307 1.00 0.00 O ATOM 185 OD2 ASP A 15 4.551 39.308 -3.414 1.00 0.00 O ATOM 0 H ASP A 15 2.937 35.032 -2.921 1.00 0.00 H new ATOM 0 HA ASP A 15 5.559 36.202 -2.069 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.733 37.245 -2.442 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.825 38.073 -1.351 1.00 0.00 H new ATOM 190 N ALA A 16 5.180 35.850 0.395 1.00 0.00 N ATOM 191 CA ALA A 16 4.975 35.482 1.825 1.00 0.00 C ATOM 192 C ALA A 16 3.979 36.451 2.463 1.00 0.00 C ATOM 193 O ALA A 16 3.257 36.102 3.375 1.00 0.00 O ATOM 194 CB ALA A 16 6.310 35.560 2.567 1.00 0.00 C ATOM 0 H ALA A 16 6.106 36.212 0.168 1.00 0.00 H new ATOM 0 HA ALA A 16 4.584 34.467 1.887 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.161 35.291 3.613 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.020 34.869 2.112 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.702 36.575 2.506 1.00 0.00 H new ATOM 200 N ALA A 17 3.934 37.668 1.991 1.00 0.00 N ATOM 201 CA ALA A 17 2.984 38.656 2.572 1.00 0.00 C ATOM 202 C ALA A 17 1.566 38.083 2.530 1.00 0.00 C ATOM 203 O ALA A 17 0.813 38.191 3.478 1.00 0.00 O ATOM 204 CB ALA A 17 3.034 39.952 1.759 1.00 0.00 C ATOM 0 H ALA A 17 4.514 38.019 1.229 1.00 0.00 H new ATOM 0 HA ALA A 17 3.263 38.864 3.605 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.338 40.675 2.184 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.044 40.360 1.787 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.755 39.744 0.726 1.00 0.00 H new ATOM 210 N THR A 18 1.198 37.471 1.439 1.00 0.00 N ATOM 211 CA THR A 18 -0.170 36.888 1.336 1.00 0.00 C ATOM 212 C THR A 18 -0.065 35.404 0.981 1.00 0.00 C ATOM 213 O THR A 18 -1.012 34.802 0.515 1.00 0.00 O ATOM 214 CB THR A 18 -0.959 37.619 0.246 1.00 0.00 C ATOM 215 OG1 THR A 18 -2.202 36.962 0.042 1.00 0.00 O ATOM 216 CG2 THR A 18 -0.157 37.614 -1.058 1.00 0.00 C ATOM 0 H THR A 18 1.785 37.349 0.614 1.00 0.00 H new ATOM 0 HA THR A 18 -0.684 36.999 2.291 1.00 0.00 H new ATOM 0 HB THR A 18 -1.138 38.649 0.556 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.205 36.110 0.526 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.719 38.135 -1.833 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.796 38.118 -0.901 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.024 36.585 -1.370 1.00 0.00 H new ATOM 224 N CYS A 19 1.084 34.813 1.201 1.00 0.00 N ATOM 225 CA CYS A 19 1.274 33.363 0.887 1.00 0.00 C ATOM 226 C CYS A 19 0.542 33.006 -0.411 1.00 0.00 C ATOM 227 O CYS A 19 0.047 31.909 -0.571 1.00 0.00 O ATOM 228 CB CYS A 19 0.756 32.488 2.041 1.00 0.00 C ATOM 229 SG CYS A 19 -0.857 33.081 2.615 1.00 0.00 S ATOM 0 H CYS A 19 1.905 35.278 1.588 1.00 0.00 H new ATOM 0 HA CYS A 19 2.340 33.173 0.759 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.673 31.453 1.711 1.00 0.00 H new ATOM 0 HB3 CYS A 19 1.470 32.503 2.865 1.00 0.00 H new ATOM 234 N LYS A 20 0.469 33.922 -1.339 1.00 0.00 N ATOM 235 CA LYS A 20 -0.234 33.625 -2.620 1.00 0.00 C ATOM 236 C LYS A 20 0.632 34.070 -3.799 1.00 0.00 C ATOM 237 O LYS A 20 1.714 34.589 -3.622 1.00 0.00 O ATOM 238 CB LYS A 20 -1.569 34.368 -2.654 1.00 0.00 C ATOM 239 CG LYS A 20 -2.713 33.360 -2.565 1.00 0.00 C ATOM 240 CD LYS A 20 -3.067 32.861 -3.967 1.00 0.00 C ATOM 241 CE LYS A 20 -4.367 32.055 -3.910 1.00 0.00 C ATOM 242 NZ LYS A 20 -5.473 32.933 -3.433 1.00 0.00 N ATOM 0 H LYS A 20 0.864 34.860 -1.266 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.414 32.552 -2.692 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.626 35.074 -1.825 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.652 34.948 -3.573 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.424 32.521 -1.932 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.584 33.823 -2.102 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.180 33.705 -4.647 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.260 32.242 -4.359 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.604 31.656 -4.896 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.250 31.202 -3.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.377 32.594 -3.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.511 32.910 -2.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.304 33.908 -3.752 1.00 0.00 H new ATOM 256 N LEU A 21 0.170 33.870 -5.004 1.00 0.00 N ATOM 257 CA LEU A 21 0.982 34.281 -6.184 1.00 0.00 C ATOM 258 C LEU A 21 0.650 35.721 -6.570 1.00 0.00 C ATOM 259 O LEU A 21 -0.499 36.109 -6.655 1.00 0.00 O ATOM 260 CB LEU A 21 0.694 33.350 -7.362 1.00 0.00 C ATOM 261 CG LEU A 21 0.371 31.951 -6.837 1.00 0.00 C ATOM 262 CD1 LEU A 21 -1.144 31.737 -6.842 1.00 0.00 C ATOM 263 CD2 LEU A 21 1.033 30.902 -7.731 1.00 0.00 C ATOM 0 H LEU A 21 -0.730 33.442 -5.221 1.00 0.00 H new ATOM 0 HA LEU A 21 2.039 34.216 -5.927 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.143 33.733 -7.946 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.556 33.310 -8.028 1.00 0.00 H new ATOM 0 HG LEU A 21 0.749 31.854 -5.819 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.372 30.739 -6.467 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.619 32.482 -6.203 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.522 31.838 -7.859 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.802 29.905 -7.355 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.657 31.002 -8.749 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.113 31.050 -7.727 1.00 0.00 H new ATOM 275 N ARG A 22 1.657 36.520 -6.793 1.00 0.00 N ATOM 276 CA ARG A 22 1.423 37.945 -7.160 1.00 0.00 C ATOM 277 C ARG A 22 1.224 38.098 -8.677 1.00 0.00 C ATOM 278 O ARG A 22 0.306 38.768 -9.106 1.00 0.00 O ATOM 279 CB ARG A 22 2.625 38.782 -6.721 1.00 0.00 C ATOM 280 CG ARG A 22 2.138 40.026 -5.977 1.00 0.00 C ATOM 281 CD ARG A 22 1.578 39.620 -4.613 1.00 0.00 C ATOM 282 NE ARG A 22 1.502 40.820 -3.732 1.00 0.00 N ATOM 283 CZ ARG A 22 1.192 40.686 -2.471 1.00 0.00 C ATOM 284 NH1 ARG A 22 0.005 40.258 -2.134 1.00 0.00 N ATOM 285 NH2 ARG A 22 2.066 40.980 -1.549 1.00 0.00 N ATOM 0 H ARG A 22 2.638 36.245 -6.736 1.00 0.00 H new ATOM 0 HA ARG A 22 0.519 38.289 -6.657 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.276 38.192 -6.076 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.215 39.073 -7.590 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.960 40.731 -5.849 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.370 40.534 -6.560 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.588 39.178 -4.731 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.214 38.861 -4.158 1.00 0.00 H new ATOM 0 HE ARG A 22 1.692 41.746 -4.115 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.678 40.029 -2.856 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.239 40.153 -1.149 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.993 41.315 -1.813 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.823 40.875 -0.564 1.00 0.00 H new ATOM 299 N PRO A 23 2.097 37.493 -9.448 1.00 0.00 N ATOM 300 CA PRO A 23 2.039 37.577 -10.918 1.00 0.00 C ATOM 301 C PRO A 23 0.957 36.650 -11.482 1.00 0.00 C ATOM 302 O PRO A 23 0.178 36.069 -10.753 1.00 0.00 O ATOM 303 CB PRO A 23 3.437 37.137 -11.359 1.00 0.00 C ATOM 304 CG PRO A 23 4.021 36.303 -10.195 1.00 0.00 C ATOM 305 CD PRO A 23 3.213 36.673 -8.935 1.00 0.00 C ATOM 0 HA PRO A 23 1.780 38.573 -11.276 1.00 0.00 H new ATOM 0 HB2 PRO A 23 3.387 36.546 -12.273 1.00 0.00 H new ATOM 0 HB3 PRO A 23 4.067 38.001 -11.572 1.00 0.00 H new ATOM 0 HG2 PRO A 23 3.942 35.236 -10.406 1.00 0.00 H new ATOM 0 HG3 PRO A 23 5.079 36.523 -10.054 1.00 0.00 H new ATOM 0 HD2 PRO A 23 2.850 35.784 -8.420 1.00 0.00 H new ATOM 0 HD3 PRO A 23 3.821 37.229 -8.221 1.00 0.00 H new ATOM 313 N GLY A 24 0.899 36.520 -12.781 1.00 0.00 N ATOM 314 CA GLY A 24 -0.136 35.646 -13.404 1.00 0.00 C ATOM 315 C GLY A 24 0.183 34.174 -13.134 1.00 0.00 C ATOM 316 O GLY A 24 0.588 33.446 -14.018 1.00 0.00 O ATOM 0 H GLY A 24 1.526 36.983 -13.439 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.119 35.892 -13.003 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.176 35.826 -14.478 1.00 0.00 H new ATOM 320 N ALA A 25 -0.007 33.725 -11.923 1.00 0.00 N ATOM 321 CA ALA A 25 0.274 32.298 -11.607 1.00 0.00 C ATOM 322 C ALA A 25 -0.994 31.656 -11.043 1.00 0.00 C ATOM 323 O ALA A 25 -1.858 32.328 -10.516 1.00 0.00 O ATOM 324 CB ALA A 25 1.398 32.213 -10.574 1.00 0.00 C ATOM 0 H ALA A 25 -0.344 34.285 -11.140 1.00 0.00 H new ATOM 0 HA ALA A 25 0.581 31.773 -12.511 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.602 31.167 -10.344 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.298 32.679 -10.976 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.096 32.732 -9.664 1.00 0.00 H new ATOM 330 N GLN A 26 -1.120 30.363 -11.153 1.00 0.00 N ATOM 331 CA GLN A 26 -2.340 29.689 -10.626 1.00 0.00 C ATOM 332 C GLN A 26 -2.042 29.084 -9.253 1.00 0.00 C ATOM 333 O GLN A 26 -2.771 29.287 -8.304 1.00 0.00 O ATOM 334 CB GLN A 26 -2.768 28.583 -11.593 1.00 0.00 C ATOM 335 CG GLN A 26 -3.934 29.079 -12.450 1.00 0.00 C ATOM 336 CD GLN A 26 -3.524 30.358 -13.183 1.00 0.00 C ATOM 337 OE1 GLN A 26 -3.936 31.442 -12.817 1.00 0.00 O ATOM 338 NE2 GLN A 26 -2.723 30.278 -14.210 1.00 0.00 N ATOM 0 H GLN A 26 -0.433 29.745 -11.584 1.00 0.00 H new ATOM 0 HA GLN A 26 -3.144 30.419 -10.530 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -1.930 28.297 -12.229 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.064 27.693 -11.037 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -4.222 28.312 -13.169 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.804 29.271 -11.822 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.377 29.369 -14.517 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -2.443 31.124 -14.705 1.00 0.00 H new ATOM 347 N CYS A 27 -0.974 28.342 -9.138 1.00 0.00 N ATOM 348 CA CYS A 27 -0.635 27.728 -7.824 1.00 0.00 C ATOM 349 C CYS A 27 0.885 27.695 -7.654 1.00 0.00 C ATOM 350 O CYS A 27 1.616 27.405 -8.578 1.00 0.00 O ATOM 351 CB CYS A 27 -1.187 26.302 -7.770 1.00 0.00 C ATOM 352 SG CYS A 27 -0.975 25.511 -9.384 1.00 0.00 S ATOM 0 H CYS A 27 -0.323 28.135 -9.896 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.077 28.318 -7.021 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.669 25.729 -7.001 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.242 26.319 -7.497 1.00 0.00 H new ATOM 357 N GLY A 28 1.366 27.990 -6.478 1.00 0.00 N ATOM 358 CA GLY A 28 2.838 27.974 -6.254 1.00 0.00 C ATOM 359 C GLY A 28 3.287 26.548 -5.927 1.00 0.00 C ATOM 360 O GLY A 28 4.343 26.109 -6.340 1.00 0.00 O ATOM 0 H GLY A 28 0.804 28.241 -5.664 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.356 28.335 -7.142 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.100 28.646 -5.437 1.00 0.00 H new ATOM 364 N GLU A 29 2.494 25.822 -5.189 1.00 0.00 N ATOM 365 CA GLU A 29 2.875 24.425 -4.836 1.00 0.00 C ATOM 366 C GLU A 29 1.655 23.512 -4.979 1.00 0.00 C ATOM 367 O GLU A 29 0.531 23.969 -5.046 1.00 0.00 O ATOM 368 CB GLU A 29 3.378 24.384 -3.392 1.00 0.00 C ATOM 369 CG GLU A 29 4.227 23.130 -3.181 1.00 0.00 C ATOM 370 CD GLU A 29 5.612 23.530 -2.668 1.00 0.00 C ATOM 371 OE1 GLU A 29 6.399 24.016 -3.464 1.00 0.00 O ATOM 372 OE2 GLU A 29 5.861 23.345 -1.488 1.00 0.00 O ATOM 0 H GLU A 29 1.598 26.135 -4.815 1.00 0.00 H new ATOM 0 HA GLU A 29 3.664 24.083 -5.505 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.967 25.275 -3.176 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.534 24.385 -2.702 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.741 22.465 -2.467 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.320 22.579 -4.117 1.00 0.00 H new ATOM 379 N GLY A 30 1.865 22.225 -5.026 1.00 0.00 N ATOM 380 CA GLY A 30 0.716 21.287 -5.163 1.00 0.00 C ATOM 381 C GLY A 30 1.181 20.002 -5.850 1.00 0.00 C ATOM 382 O GLY A 30 2.164 19.988 -6.566 1.00 0.00 O ATOM 0 H GLY A 30 2.783 21.783 -4.975 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.302 21.057 -4.181 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.080 21.754 -5.743 1.00 0.00 H new ATOM 386 N LEU A 31 0.486 18.919 -5.635 1.00 0.00 N ATOM 387 CA LEU A 31 0.888 17.633 -6.273 1.00 0.00 C ATOM 388 C LEU A 31 0.729 17.737 -7.791 1.00 0.00 C ATOM 389 O LEU A 31 1.389 17.045 -8.541 1.00 0.00 O ATOM 390 CB LEU A 31 -0.002 16.503 -5.750 1.00 0.00 C ATOM 391 CG LEU A 31 0.542 16.001 -4.413 1.00 0.00 C ATOM 392 CD1 LEU A 31 -0.445 16.342 -3.296 1.00 0.00 C ATOM 393 CD2 LEU A 31 0.730 14.483 -4.480 1.00 0.00 C ATOM 0 H LEU A 31 -0.344 18.869 -5.044 1.00 0.00 H new ATOM 0 HA LEU A 31 1.930 17.423 -6.030 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.025 16.859 -5.628 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.033 15.687 -6.472 1.00 0.00 H new ATOM 0 HG LEU A 31 1.499 16.480 -4.208 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.055 15.983 -2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.581 17.422 -3.248 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.403 15.864 -3.499 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.118 14.122 -3.528 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.229 14.006 -4.685 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.435 14.238 -5.275 1.00 0.00 H new ATOM 405 N CYS A 32 -0.146 18.588 -8.253 1.00 0.00 N ATOM 406 CA CYS A 32 -0.346 18.721 -9.723 1.00 0.00 C ATOM 407 C CYS A 32 -0.131 20.175 -10.150 1.00 0.00 C ATOM 408 O CYS A 32 -0.868 20.709 -10.954 1.00 0.00 O ATOM 409 CB CYS A 32 -1.769 18.290 -10.081 1.00 0.00 C ATOM 410 SG CYS A 32 -2.223 16.840 -9.097 1.00 0.00 S ATOM 0 H CYS A 32 -0.729 19.195 -7.677 1.00 0.00 H new ATOM 0 HA CYS A 32 0.372 18.087 -10.242 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -2.467 19.106 -9.890 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -1.834 18.057 -11.144 1.00 0.00 H new ATOM 415 N CYS A 33 0.874 20.819 -9.626 1.00 0.00 N ATOM 416 CA CYS A 33 1.131 22.235 -10.014 1.00 0.00 C ATOM 417 C CYS A 33 2.593 22.388 -10.436 1.00 0.00 C ATOM 418 O CYS A 33 3.499 22.001 -9.723 1.00 0.00 O ATOM 419 CB CYS A 33 0.838 23.157 -8.830 1.00 0.00 C ATOM 420 SG CYS A 33 0.943 24.878 -9.374 1.00 0.00 S ATOM 0 H CYS A 33 1.527 20.428 -8.947 1.00 0.00 H new ATOM 0 HA CYS A 33 0.482 22.506 -10.846 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.154 22.950 -8.430 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.551 22.973 -8.026 1.00 0.00 H new ATOM 425 N GLU A 34 2.832 22.945 -11.592 1.00 0.00 N ATOM 426 CA GLU A 34 4.237 23.114 -12.059 1.00 0.00 C ATOM 427 C GLU A 34 4.396 24.479 -12.734 1.00 0.00 C ATOM 428 O GLU A 34 3.500 24.963 -13.397 1.00 0.00 O ATOM 429 CB GLU A 34 4.572 22.009 -13.062 1.00 0.00 C ATOM 430 CG GLU A 34 4.224 20.647 -12.455 1.00 0.00 C ATOM 431 CD GLU A 34 5.033 19.555 -13.157 1.00 0.00 C ATOM 432 OE1 GLU A 34 5.473 19.794 -14.269 1.00 0.00 O ATOM 433 OE2 GLU A 34 5.199 18.499 -12.571 1.00 0.00 O ATOM 0 H GLU A 34 2.116 23.290 -12.232 1.00 0.00 H new ATOM 0 HA GLU A 34 4.912 23.053 -11.206 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.014 22.161 -13.986 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.631 22.045 -13.319 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.442 20.646 -11.387 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.157 20.451 -12.563 1.00 0.00 H new ATOM 440 N GLN A 35 5.531 25.102 -12.570 1.00 0.00 N ATOM 441 CA GLN A 35 5.751 26.435 -13.201 1.00 0.00 C ATOM 442 C GLN A 35 4.719 27.428 -12.666 1.00 0.00 C ATOM 443 O GLN A 35 4.325 28.356 -13.346 1.00 0.00 O ATOM 444 CB GLN A 35 5.607 26.314 -14.719 1.00 0.00 C ATOM 445 CG GLN A 35 6.946 26.646 -15.384 1.00 0.00 C ATOM 446 CD GLN A 35 6.754 26.755 -16.898 1.00 0.00 C ATOM 447 OE1 GLN A 35 5.735 27.420 -17.368 1.00 0.00 O flip ATOM 448 NE2 GLN A 35 7.542 26.231 -17.660 1.00 0.00 N flip ATOM 0 H GLN A 35 6.316 24.745 -12.026 1.00 0.00 H new ATOM 0 HA GLN A 35 6.754 26.789 -12.961 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.296 25.304 -14.987 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.832 26.992 -15.077 1.00 0.00 H new ATOM 0 HG2 GLN A 35 7.337 27.583 -14.988 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.679 25.872 -15.155 1.00 0.00 H new ATOM 0 HE21 GLN A 35 8.339 25.711 -17.292 1.00 0.00 H new ATOM 0 HE22 GLN A 35 7.407 26.311 -18.668 1.00 0.00 H new ATOM 457 N CYS A 36 4.278 27.243 -11.452 1.00 0.00 N ATOM 458 CA CYS A 36 3.274 28.178 -10.874 1.00 0.00 C ATOM 459 C CYS A 36 1.914 27.937 -11.530 1.00 0.00 C ATOM 460 O CYS A 36 1.008 28.740 -11.419 1.00 0.00 O ATOM 461 CB CYS A 36 3.716 29.620 -11.128 1.00 0.00 C ATOM 462 SG CYS A 36 5.493 29.766 -10.817 1.00 0.00 S ATOM 0 H CYS A 36 4.570 26.484 -10.836 1.00 0.00 H new ATOM 0 HA CYS A 36 3.193 28.006 -9.801 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.491 29.906 -12.155 1.00 0.00 H new ATOM 0 HB3 CYS A 36 3.165 30.301 -10.479 1.00 0.00 H new ATOM 467 N LYS A 37 1.764 26.837 -12.217 1.00 0.00 N ATOM 468 CA LYS A 37 0.463 26.546 -12.880 1.00 0.00 C ATOM 469 C LYS A 37 0.019 25.125 -12.530 1.00 0.00 C ATOM 470 O LYS A 37 0.799 24.316 -12.067 1.00 0.00 O ATOM 471 CB LYS A 37 0.627 26.673 -14.397 1.00 0.00 C ATOM 472 CG LYS A 37 0.815 28.146 -14.766 1.00 0.00 C ATOM 473 CD LYS A 37 0.962 28.278 -16.283 1.00 0.00 C ATOM 474 CE LYS A 37 -0.257 29.006 -16.854 1.00 0.00 C ATOM 475 NZ LYS A 37 0.126 30.398 -17.225 1.00 0.00 N ATOM 0 H LYS A 37 2.486 26.128 -12.347 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.289 27.255 -12.535 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.486 26.091 -14.731 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.249 26.269 -14.904 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.038 28.730 -14.421 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.698 28.547 -14.268 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.872 28.827 -16.524 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.055 27.291 -16.737 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.634 28.476 -17.728 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.062 29.022 -16.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.702 30.894 -17.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.467 30.901 -16.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.881 30.372 -17.940 1.00 0.00 H new ATOM 489 N PHE A 38 -1.230 24.813 -12.748 1.00 0.00 N ATOM 490 CA PHE A 38 -1.722 23.444 -12.428 1.00 0.00 C ATOM 491 C PHE A 38 -1.086 22.439 -13.389 1.00 0.00 C ATOM 492 O PHE A 38 -0.195 22.767 -14.147 1.00 0.00 O ATOM 493 CB PHE A 38 -3.245 23.403 -12.580 1.00 0.00 C ATOM 494 CG PHE A 38 -3.873 24.465 -11.709 1.00 0.00 C ATOM 495 CD1 PHE A 38 -3.700 24.424 -10.320 1.00 0.00 C ATOM 496 CD2 PHE A 38 -4.629 25.489 -12.290 1.00 0.00 C ATOM 497 CE1 PHE A 38 -4.283 25.409 -9.513 1.00 0.00 C ATOM 498 CE2 PHE A 38 -5.212 26.474 -11.483 1.00 0.00 C ATOM 499 CZ PHE A 38 -5.040 26.433 -10.094 1.00 0.00 C ATOM 0 H PHE A 38 -1.930 25.447 -13.134 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.452 23.188 -11.403 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.520 23.564 -13.622 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.622 22.419 -12.299 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.117 23.633 -9.871 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.763 25.520 -13.361 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.148 25.378 -8.442 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -5.794 27.265 -11.932 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.491 27.191 -9.471 1.00 0.00 H new ATOM 509 N SER A 39 -1.539 21.215 -13.366 1.00 0.00 N ATOM 510 CA SER A 39 -0.962 20.189 -14.280 1.00 0.00 C ATOM 511 C SER A 39 -1.957 19.912 -15.418 1.00 0.00 C ATOM 512 O SER A 39 -2.353 20.814 -16.129 1.00 0.00 O ATOM 513 CB SER A 39 -0.685 18.909 -13.490 1.00 0.00 C ATOM 514 OG SER A 39 -1.914 18.247 -13.224 1.00 0.00 O ATOM 0 H SER A 39 -2.284 20.881 -12.754 1.00 0.00 H new ATOM 0 HA SER A 39 -0.026 20.549 -14.707 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.021 18.255 -14.056 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.177 19.147 -12.555 1.00 0.00 H new ATOM 0 HG SER A 39 -2.599 18.909 -12.994 1.00 0.00 H new ATOM 520 N ARG A 40 -2.370 18.684 -15.602 1.00 0.00 N ATOM 521 CA ARG A 40 -3.337 18.386 -16.695 1.00 0.00 C ATOM 522 C ARG A 40 -4.487 17.543 -16.139 1.00 0.00 C ATOM 523 O ARG A 40 -4.363 16.911 -15.108 1.00 0.00 O ATOM 524 CB ARG A 40 -2.627 17.615 -17.811 1.00 0.00 C ATOM 525 CG ARG A 40 -2.271 18.576 -18.949 1.00 0.00 C ATOM 526 CD ARG A 40 -0.836 19.075 -18.767 1.00 0.00 C ATOM 527 NE ARG A 40 -0.373 19.718 -20.030 1.00 0.00 N ATOM 528 CZ ARG A 40 0.878 20.067 -20.166 1.00 0.00 C ATOM 529 NH1 ARG A 40 1.814 19.158 -20.152 1.00 0.00 N ATOM 530 NH2 ARG A 40 1.193 21.324 -20.316 1.00 0.00 N ATOM 0 H ARG A 40 -2.080 17.880 -15.045 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.732 19.319 -17.097 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.724 17.143 -17.424 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.270 16.817 -18.182 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.373 18.072 -19.910 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.962 19.419 -18.957 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.789 19.788 -17.944 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.180 18.244 -18.507 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.034 19.885 -20.789 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.568 18.175 -20.035 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.791 19.430 -20.258 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.462 22.035 -20.327 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.170 21.596 -20.422 1.00 0.00 H new ATOM 544 N ALA A 41 -5.607 17.533 -16.808 1.00 0.00 N ATOM 545 CA ALA A 41 -6.765 16.734 -16.312 1.00 0.00 C ATOM 546 C ALA A 41 -6.418 15.245 -16.359 1.00 0.00 C ATOM 547 O ALA A 41 -6.112 14.701 -17.401 1.00 0.00 O ATOM 548 CB ALA A 41 -7.984 17.000 -17.196 1.00 0.00 C ATOM 0 H ALA A 41 -5.771 18.043 -17.676 1.00 0.00 H new ATOM 0 HA ALA A 41 -6.990 17.022 -15.285 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.830 16.416 -16.834 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.234 18.061 -17.162 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.758 16.713 -18.223 1.00 0.00 H new ATOM 554 N GLY A 42 -6.465 14.580 -15.236 1.00 0.00 N ATOM 555 CA GLY A 42 -6.139 13.126 -15.214 1.00 0.00 C ATOM 556 C GLY A 42 -4.630 12.942 -15.053 1.00 0.00 C ATOM 557 O GLY A 42 -4.014 12.154 -15.742 1.00 0.00 O ATOM 0 H GLY A 42 -6.715 14.982 -14.333 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.665 12.637 -14.394 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.477 12.653 -16.136 1.00 0.00 H new ATOM 561 N LYS A 43 -4.032 13.659 -14.144 1.00 0.00 N ATOM 562 CA LYS A 43 -2.563 13.519 -13.932 1.00 0.00 C ATOM 563 C LYS A 43 -2.317 12.678 -12.679 1.00 0.00 C ATOM 564 O LYS A 43 -2.833 12.961 -11.619 1.00 0.00 O ATOM 565 CB LYS A 43 -1.938 14.908 -13.752 1.00 0.00 C ATOM 566 CG LYS A 43 -0.540 14.771 -13.139 1.00 0.00 C ATOM 567 CD LYS A 43 0.377 14.031 -14.114 1.00 0.00 C ATOM 568 CE LYS A 43 1.368 15.020 -14.731 1.00 0.00 C ATOM 569 NZ LYS A 43 2.757 14.637 -14.348 1.00 0.00 N ATOM 0 H LYS A 43 -4.496 14.336 -13.538 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.110 13.031 -14.795 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.875 15.416 -14.714 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.569 15.521 -13.108 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.131 15.757 -12.916 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.597 14.229 -12.195 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.914 13.238 -13.594 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.214 13.556 -14.897 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.267 15.023 -15.816 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.150 16.031 -14.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.431 15.309 -14.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.849 14.655 -13.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.962 13.679 -14.697 1.00 0.00 H new ATOM 583 N ILE A 44 -1.531 11.646 -12.787 1.00 0.00 N ATOM 584 CA ILE A 44 -1.262 10.800 -11.594 1.00 0.00 C ATOM 585 C ILE A 44 -0.616 11.662 -10.508 1.00 0.00 C ATOM 586 O ILE A 44 0.356 12.352 -10.742 1.00 0.00 O ATOM 587 CB ILE A 44 -0.321 9.656 -11.984 1.00 0.00 C ATOM 588 CG1 ILE A 44 -1.114 8.578 -12.726 1.00 0.00 C ATOM 589 CG2 ILE A 44 0.314 9.048 -10.729 1.00 0.00 C ATOM 590 CD1 ILE A 44 -2.004 7.825 -11.734 1.00 0.00 C ATOM 0 H ILE A 44 -1.065 11.352 -13.646 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.194 10.380 -11.216 1.00 0.00 H new ATOM 0 HB ILE A 44 0.467 10.045 -12.630 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.725 9.033 -13.506 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.432 7.884 -13.219 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.981 8.235 -11.016 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.881 9.814 -10.201 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.469 8.661 -10.076 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.569 7.057 -12.262 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.383 7.357 -10.970 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.695 8.524 -11.262 1.00 0.00 H new ATOM 602 N CYS A 45 -1.155 11.628 -9.321 1.00 0.00 N ATOM 603 CA CYS A 45 -0.580 12.448 -8.216 1.00 0.00 C ATOM 604 C CYS A 45 -0.055 11.525 -7.115 1.00 0.00 C ATOM 605 O CYS A 45 0.923 11.821 -6.459 1.00 0.00 O ATOM 606 CB CYS A 45 -1.660 13.367 -7.637 1.00 0.00 C ATOM 607 SG CYS A 45 -3.250 12.502 -7.613 1.00 0.00 S ATOM 0 H CYS A 45 -1.969 11.068 -9.067 1.00 0.00 H new ATOM 0 HA CYS A 45 0.238 13.053 -8.606 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.387 13.674 -6.627 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.738 14.275 -8.236 1.00 0.00 H new ATOM 612 N ARG A 46 -0.696 10.407 -6.905 1.00 0.00 N ATOM 613 CA ARG A 46 -0.226 9.475 -5.844 1.00 0.00 C ATOM 614 C ARG A 46 -0.374 8.032 -6.321 1.00 0.00 C ATOM 615 O ARG A 46 -1.293 7.692 -7.040 1.00 0.00 O ATOM 616 CB ARG A 46 -1.061 9.680 -4.579 1.00 0.00 C ATOM 617 CG ARG A 46 -0.685 11.011 -3.929 1.00 0.00 C ATOM 618 CD ARG A 46 -1.946 11.850 -3.730 1.00 0.00 C ATOM 619 NE ARG A 46 -2.795 11.223 -2.679 1.00 0.00 N ATOM 620 CZ ARG A 46 -2.931 11.805 -1.521 1.00 0.00 C ATOM 621 NH1 ARG A 46 -3.608 12.916 -1.424 1.00 0.00 N ATOM 622 NH2 ARG A 46 -2.391 11.275 -0.457 1.00 0.00 N ATOM 0 H ARG A 46 -1.521 10.101 -7.421 1.00 0.00 H new ATOM 0 HA ARG A 46 0.823 9.677 -5.627 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.123 9.671 -4.826 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.889 8.861 -3.881 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.196 10.836 -2.971 1.00 0.00 H new ATOM 0 HG3 ARG A 46 0.027 11.547 -4.557 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.678 12.866 -3.439 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.500 11.922 -4.666 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.269 10.339 -2.865 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.031 13.330 -2.255 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.714 13.371 -0.517 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.863 10.406 -0.532 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -2.497 11.730 0.450 1.00 0.00 H new ATOM 636 N ILE A 47 0.527 7.181 -5.920 1.00 0.00 N ATOM 637 CA ILE A 47 0.449 5.755 -6.338 1.00 0.00 C ATOM 638 C ILE A 47 0.843 4.870 -5.152 1.00 0.00 C ATOM 639 O ILE A 47 2.002 4.545 -4.978 1.00 0.00 O ATOM 640 CB ILE A 47 1.405 5.520 -7.506 1.00 0.00 C ATOM 641 CG1 ILE A 47 1.287 4.070 -7.978 1.00 0.00 C ATOM 642 CG2 ILE A 47 2.839 5.796 -7.058 1.00 0.00 C ATOM 643 CD1 ILE A 47 0.982 4.049 -9.475 1.00 0.00 C ATOM 0 H ILE A 47 1.317 7.413 -5.318 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.565 5.509 -6.653 1.00 0.00 H new ATOM 0 HB ILE A 47 1.147 6.191 -8.325 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.214 3.533 -7.777 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.497 3.559 -7.427 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.520 5.628 -7.893 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.923 6.830 -6.724 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.099 5.127 -6.237 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.897 3.017 -9.815 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.044 4.571 -9.662 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.787 4.544 -10.017 1.00 0.00 H new ATOM 655 N PRO A 48 -0.138 4.519 -4.360 1.00 0.00 N ATOM 656 CA PRO A 48 0.063 3.685 -3.162 1.00 0.00 C ATOM 657 C PRO A 48 0.245 2.213 -3.548 1.00 0.00 C ATOM 658 O PRO A 48 -0.570 1.635 -4.239 1.00 0.00 O ATOM 659 CB PRO A 48 -1.228 3.889 -2.364 1.00 0.00 C ATOM 660 CG PRO A 48 -2.301 4.351 -3.379 1.00 0.00 C ATOM 661 CD PRO A 48 -1.541 4.921 -4.591 1.00 0.00 C ATOM 0 HA PRO A 48 0.956 3.956 -2.598 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -1.531 2.964 -1.873 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -1.087 4.635 -1.581 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.937 3.518 -3.677 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -2.951 5.107 -2.939 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -1.923 4.515 -5.528 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -1.640 6.005 -4.650 1.00 0.00 H new ATOM 669 N ARG A 49 1.309 1.603 -3.100 1.00 0.00 N ATOM 670 CA ARG A 49 1.548 0.171 -3.433 1.00 0.00 C ATOM 671 C ARG A 49 1.118 -0.701 -2.251 1.00 0.00 C ATOM 672 O ARG A 49 1.741 -1.698 -1.945 1.00 0.00 O ATOM 673 CB ARG A 49 3.036 -0.048 -3.714 1.00 0.00 C ATOM 674 CG ARG A 49 3.214 -0.588 -5.134 1.00 0.00 C ATOM 675 CD ARG A 49 2.869 0.509 -6.142 1.00 0.00 C ATOM 676 NE ARG A 49 2.886 -0.059 -7.520 1.00 0.00 N ATOM 677 CZ ARG A 49 1.841 0.069 -8.291 1.00 0.00 C ATOM 678 NH1 ARG A 49 0.651 -0.189 -7.823 1.00 0.00 N ATOM 679 NH2 ARG A 49 1.986 0.454 -9.529 1.00 0.00 N ATOM 0 H ARG A 49 2.024 2.037 -2.516 1.00 0.00 H new ATOM 0 HA ARG A 49 0.970 -0.099 -4.317 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.580 0.889 -3.599 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.454 -0.750 -2.992 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.241 -0.923 -5.281 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.571 -1.454 -5.289 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.886 0.925 -5.921 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.586 1.327 -6.065 1.00 0.00 H new ATOM 0 HE ARG A 49 3.714 -0.548 -7.860 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.538 -0.490 -6.855 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.166 -0.089 -8.425 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.917 0.655 -9.895 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.169 0.554 -10.131 1.00 0.00 H new ATOM 693 N LEU A 50 0.057 -0.332 -1.586 1.00 0.00 N ATOM 694 CA LEU A 50 -0.410 -1.142 -0.426 1.00 0.00 C ATOM 695 C LEU A 50 -1.882 -1.507 -0.615 1.00 0.00 C ATOM 696 O LEU A 50 -2.672 -1.446 0.306 1.00 0.00 O ATOM 697 CB LEU A 50 -0.233 -0.359 0.887 1.00 0.00 C ATOM 698 CG LEU A 50 -0.644 1.112 0.717 1.00 0.00 C ATOM 699 CD1 LEU A 50 0.384 1.846 -0.145 1.00 0.00 C ATOM 700 CD2 LEU A 50 -2.026 1.204 0.062 1.00 0.00 C ATOM 0 H LEU A 50 -0.505 0.493 -1.795 1.00 0.00 H new ATOM 0 HA LEU A 50 0.188 -2.052 -0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.834 -0.819 1.671 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.807 -0.414 1.209 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.686 1.578 1.701 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.085 2.888 -0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.361 1.800 0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.440 1.374 -1.126 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.305 2.251 -0.053 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.997 0.727 -0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.760 0.699 0.690 1.00 0.00 H new ATOM 712 N ASP A 51 -2.253 -1.887 -1.806 1.00 0.00 N ATOM 713 CA ASP A 51 -3.671 -2.262 -2.066 1.00 0.00 C ATOM 714 C ASP A 51 -4.521 -0.997 -2.208 1.00 0.00 C ATOM 715 O ASP A 51 -5.577 -0.877 -1.619 1.00 0.00 O ATOM 716 CB ASP A 51 -4.202 -3.107 -0.906 1.00 0.00 C ATOM 717 CG ASP A 51 -3.114 -4.079 -0.442 1.00 0.00 C ATOM 718 OD1 ASP A 51 -2.431 -4.624 -1.293 1.00 0.00 O ATOM 719 OD2 ASP A 51 -2.984 -4.262 0.757 1.00 0.00 O ATOM 0 H ASP A 51 -1.633 -1.954 -2.613 1.00 0.00 H new ATOM 0 HA ASP A 51 -3.725 -2.840 -2.989 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.504 -2.462 -0.081 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.088 -3.659 -1.220 1.00 0.00 H new ATOM 724 N MET A 52 -4.070 -0.053 -2.989 1.00 0.00 N ATOM 725 CA MET A 52 -4.855 1.200 -3.172 1.00 0.00 C ATOM 726 C MET A 52 -4.751 1.655 -4.632 1.00 0.00 C ATOM 727 O MET A 52 -3.781 1.360 -5.303 1.00 0.00 O ATOM 728 CB MET A 52 -4.299 2.290 -2.253 1.00 0.00 C ATOM 729 CG MET A 52 -4.748 2.025 -0.815 1.00 0.00 C ATOM 730 SD MET A 52 -6.536 2.279 -0.683 1.00 0.00 S ATOM 731 CE MET A 52 -6.505 3.388 0.746 1.00 0.00 C ATOM 0 H MET A 52 -3.193 -0.096 -3.508 1.00 0.00 H new ATOM 0 HA MET A 52 -5.900 1.017 -2.922 1.00 0.00 H new ATOM 0 HB2 MET A 52 -3.211 2.306 -2.308 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.649 3.269 -2.580 1.00 0.00 H new ATOM 0 HG2 MET A 52 -4.493 1.006 -0.525 1.00 0.00 H new ATOM 0 HG3 MET A 52 -4.224 2.692 -0.130 1.00 0.00 H new ATOM 0 HE1 MET A 52 -7.524 3.676 1.005 1.00 0.00 H new ATOM 0 HE2 MET A 52 -6.045 2.878 1.593 1.00 0.00 H new ATOM 0 HE3 MET A 52 -5.927 4.279 0.502 1.00 0.00 H new ATOM 741 N PRO A 53 -5.760 2.359 -5.082 1.00 0.00 N ATOM 742 CA PRO A 53 -5.819 2.871 -6.465 1.00 0.00 C ATOM 743 C PRO A 53 -4.938 4.114 -6.626 1.00 0.00 C ATOM 744 O PRO A 53 -4.758 4.886 -5.704 1.00 0.00 O ATOM 745 CB PRO A 53 -7.296 3.228 -6.649 1.00 0.00 C ATOM 746 CG PRO A 53 -7.873 3.445 -5.230 1.00 0.00 C ATOM 747 CD PRO A 53 -6.934 2.711 -4.256 1.00 0.00 C ATOM 0 HA PRO A 53 -5.458 2.151 -7.199 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -7.406 4.128 -7.255 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.827 2.429 -7.166 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -7.925 4.507 -4.991 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -8.887 3.052 -5.160 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -6.654 3.347 -3.417 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -7.408 1.823 -3.838 1.00 0.00 H new ATOM 755 N ASP A 54 -4.394 4.314 -7.795 1.00 0.00 N ATOM 756 CA ASP A 54 -3.532 5.508 -8.028 1.00 0.00 C ATOM 757 C ASP A 54 -4.416 6.755 -8.122 1.00 0.00 C ATOM 758 O ASP A 54 -5.454 6.743 -8.754 1.00 0.00 O ATOM 759 CB ASP A 54 -2.761 5.329 -9.336 1.00 0.00 C ATOM 760 CG ASP A 54 -2.210 3.904 -9.412 1.00 0.00 C ATOM 761 OD1 ASP A 54 -2.313 3.197 -8.424 1.00 0.00 O ATOM 762 OD2 ASP A 54 -1.695 3.543 -10.458 1.00 0.00 O ATOM 0 H ASP A 54 -4.510 3.700 -8.601 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.827 5.620 -7.204 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.415 5.523 -10.186 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.945 6.049 -9.391 1.00 0.00 H new ATOM 767 N ASP A 55 -4.019 7.830 -7.497 1.00 0.00 N ATOM 768 CA ASP A 55 -4.846 9.068 -7.554 1.00 0.00 C ATOM 769 C ASP A 55 -4.455 9.897 -8.781 1.00 0.00 C ATOM 770 O ASP A 55 -3.306 9.941 -9.175 1.00 0.00 O ATOM 771 CB ASP A 55 -4.613 9.895 -6.288 1.00 0.00 C ATOM 772 CG ASP A 55 -5.150 9.133 -5.074 1.00 0.00 C ATOM 773 OD1 ASP A 55 -6.136 8.432 -5.227 1.00 0.00 O ATOM 774 OD2 ASP A 55 -4.564 9.264 -4.011 1.00 0.00 O ATOM 0 H ASP A 55 -3.161 7.904 -6.951 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.899 8.794 -7.625 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.549 10.096 -6.163 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.112 10.860 -6.375 1.00 0.00 H new ATOM 779 N ARG A 56 -5.406 10.557 -9.386 1.00 0.00 N ATOM 780 CA ARG A 56 -5.098 11.389 -10.584 1.00 0.00 C ATOM 781 C ARG A 56 -5.555 12.827 -10.329 1.00 0.00 C ATOM 782 O ARG A 56 -6.371 13.085 -9.468 1.00 0.00 O ATOM 783 CB ARG A 56 -5.834 10.823 -11.801 1.00 0.00 C ATOM 784 CG ARG A 56 -4.816 10.378 -12.852 1.00 0.00 C ATOM 785 CD ARG A 56 -5.414 9.254 -13.701 1.00 0.00 C ATOM 786 NE ARG A 56 -5.978 9.824 -14.956 1.00 0.00 N ATOM 787 CZ ARG A 56 -6.031 9.094 -16.038 1.00 0.00 C ATOM 788 NH1 ARG A 56 -6.983 8.213 -16.183 1.00 0.00 N ATOM 789 NH2 ARG A 56 -5.132 9.244 -16.971 1.00 0.00 N ATOM 0 H ARG A 56 -6.385 10.555 -9.101 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.025 11.376 -10.775 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.457 9.980 -11.503 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.499 11.578 -12.220 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.541 11.220 -13.487 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.903 10.034 -12.366 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.648 8.515 -13.937 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.194 8.737 -13.142 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.323 10.784 -14.971 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.684 8.095 -15.452 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.026 7.642 -17.027 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.387 9.931 -16.856 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.174 8.674 -17.816 1.00 0.00 H new ATOM 803 N CYS A 57 -5.029 13.767 -11.065 1.00 0.00 N ATOM 804 CA CYS A 57 -5.427 15.189 -10.859 1.00 0.00 C ATOM 805 C CYS A 57 -6.620 15.524 -11.755 1.00 0.00 C ATOM 806 O CYS A 57 -6.847 14.893 -12.767 1.00 0.00 O ATOM 807 CB CYS A 57 -4.252 16.101 -11.215 1.00 0.00 C ATOM 808 SG CYS A 57 -2.735 15.450 -10.469 1.00 0.00 S ATOM 0 H CYS A 57 -4.340 13.612 -11.801 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.705 15.340 -9.816 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.140 16.162 -12.298 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.441 17.113 -10.856 1.00 0.00 H new ATOM 813 N THR A 58 -7.383 16.519 -11.388 1.00 0.00 N ATOM 814 CA THR A 58 -8.562 16.901 -12.216 1.00 0.00 C ATOM 815 C THR A 58 -8.119 17.861 -13.321 1.00 0.00 C ATOM 816 O THR A 58 -8.856 18.144 -14.244 1.00 0.00 O ATOM 817 CB THR A 58 -9.604 17.591 -11.333 1.00 0.00 C ATOM 818 OG1 THR A 58 -9.071 18.815 -10.846 1.00 0.00 O ATOM 819 CG2 THR A 58 -9.960 16.683 -10.155 1.00 0.00 C ATOM 0 H THR A 58 -7.240 17.083 -10.550 1.00 0.00 H new ATOM 0 HA THR A 58 -8.997 16.007 -12.662 1.00 0.00 H new ATOM 0 HB THR A 58 -10.502 17.791 -11.918 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.737 19.260 -10.281 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.702 17.176 -9.527 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.368 15.744 -10.530 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.064 16.481 -9.568 1.00 0.00 H new ATOM 827 N GLY A 59 -6.920 18.368 -13.231 1.00 0.00 N ATOM 828 CA GLY A 59 -6.431 19.312 -14.273 1.00 0.00 C ATOM 829 C GLY A 59 -6.366 20.721 -13.683 1.00 0.00 C ATOM 830 O GLY A 59 -5.493 21.501 -14.005 1.00 0.00 O ATOM 0 H GLY A 59 -6.258 18.169 -12.481 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.446 19.006 -14.625 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.096 19.296 -15.136 1.00 0.00 H new ATOM 834 N GLN A 60 -7.284 21.050 -12.816 1.00 0.00 N ATOM 835 CA GLN A 60 -7.276 22.407 -12.203 1.00 0.00 C ATOM 836 C GLN A 60 -6.969 22.286 -10.708 1.00 0.00 C ATOM 837 O GLN A 60 -6.712 23.266 -10.037 1.00 0.00 O ATOM 838 CB GLN A 60 -8.646 23.059 -12.390 1.00 0.00 C ATOM 839 CG GLN A 60 -9.725 22.164 -11.779 1.00 0.00 C ATOM 840 CD GLN A 60 -10.888 23.029 -11.290 1.00 0.00 C ATOM 841 OE1 GLN A 60 -10.748 24.226 -11.134 1.00 0.00 O ATOM 842 NE2 GLN A 60 -12.041 22.470 -11.039 1.00 0.00 N ATOM 0 H GLN A 60 -8.039 20.438 -12.506 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.514 23.020 -12.684 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -8.661 24.040 -11.916 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -8.845 23.214 -13.450 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -10.078 21.445 -12.518 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -9.310 21.591 -10.950 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -12.160 21.465 -11.170 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -12.823 23.038 -10.712 1.00 0.00 H new ATOM 851 N SER A 61 -6.995 21.092 -10.182 1.00 0.00 N ATOM 852 CA SER A 61 -6.705 20.913 -8.731 1.00 0.00 C ATOM 853 C SER A 61 -5.191 20.844 -8.515 1.00 0.00 C ATOM 854 O SER A 61 -4.565 19.833 -8.765 1.00 0.00 O ATOM 855 CB SER A 61 -7.349 19.616 -8.238 1.00 0.00 C ATOM 856 OG SER A 61 -8.585 19.916 -7.604 1.00 0.00 O ATOM 0 H SER A 61 -7.204 20.234 -10.693 1.00 0.00 H new ATOM 0 HA SER A 61 -7.113 21.757 -8.174 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.512 18.937 -9.075 1.00 0.00 H new ATOM 0 HB3 SER A 61 -6.683 19.108 -7.540 1.00 0.00 H new ATOM 0 HG SER A 61 -9.001 19.086 -7.289 1.00 0.00 H new ATOM 862 N ALA A 62 -4.599 21.911 -8.052 1.00 0.00 N ATOM 863 CA ALA A 62 -3.127 21.903 -7.818 1.00 0.00 C ATOM 864 C ALA A 62 -2.767 20.737 -6.894 1.00 0.00 C ATOM 865 O ALA A 62 -1.841 19.994 -7.148 1.00 0.00 O ATOM 866 CB ALA A 62 -2.704 23.221 -7.166 1.00 0.00 C ATOM 0 H ALA A 62 -5.070 22.787 -7.826 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.608 21.789 -8.770 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.627 23.214 -6.996 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.962 24.051 -7.824 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.221 23.338 -6.214 1.00 0.00 H new ATOM 872 N ASP A 63 -3.496 20.571 -5.825 1.00 0.00 N ATOM 873 CA ASP A 63 -3.200 19.451 -4.888 1.00 0.00 C ATOM 874 C ASP A 63 -3.954 18.200 -5.346 1.00 0.00 C ATOM 875 O ASP A 63 -4.811 18.262 -6.206 1.00 0.00 O ATOM 876 CB ASP A 63 -3.652 19.831 -3.476 1.00 0.00 C ATOM 877 CG ASP A 63 -3.029 21.171 -3.084 1.00 0.00 C ATOM 878 OD1 ASP A 63 -2.815 21.984 -3.967 1.00 0.00 O ATOM 879 OD2 ASP A 63 -2.777 21.362 -1.905 1.00 0.00 O ATOM 0 H ASP A 63 -4.284 21.162 -5.560 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.128 19.252 -4.882 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.739 19.898 -3.437 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.354 19.058 -2.767 1.00 0.00 H new ATOM 884 N CYS A 64 -3.643 17.067 -4.781 1.00 0.00 N ATOM 885 CA CYS A 64 -4.345 15.818 -5.189 1.00 0.00 C ATOM 886 C CYS A 64 -5.185 15.296 -4.029 1.00 0.00 C ATOM 887 O CYS A 64 -4.660 14.758 -3.075 1.00 0.00 O ATOM 888 CB CYS A 64 -3.319 14.758 -5.595 1.00 0.00 C ATOM 889 SG CYS A 64 -4.179 13.209 -5.966 1.00 0.00 S ATOM 0 H CYS A 64 -2.935 16.952 -4.056 1.00 0.00 H new ATOM 0 HA CYS A 64 -4.995 16.035 -6.036 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.757 15.094 -6.467 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -2.599 14.605 -4.791 1.00 0.00 H new ATOM 894 N PRO A 65 -6.474 15.469 -4.155 1.00 0.00 N ATOM 895 CA PRO A 65 -7.431 15.021 -3.140 1.00 0.00 C ATOM 896 C PRO A 65 -7.649 13.510 -3.250 1.00 0.00 C ATOM 897 O PRO A 65 -6.834 12.793 -3.795 1.00 0.00 O ATOM 898 CB PRO A 65 -8.710 15.773 -3.506 1.00 0.00 C ATOM 899 CG PRO A 65 -8.592 16.156 -4.993 1.00 0.00 C ATOM 900 CD PRO A 65 -7.097 16.127 -5.326 1.00 0.00 C ATOM 0 HA PRO A 65 -7.099 15.213 -2.120 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -9.587 15.149 -3.336 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -8.826 16.662 -2.886 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -9.144 15.456 -5.620 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.012 17.145 -5.174 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -6.905 15.571 -6.244 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -6.703 17.132 -5.474 1.00 0.00 H new ATOM 908 N ARG A 66 -8.748 13.024 -2.745 1.00 0.00 N ATOM 909 CA ARG A 66 -9.025 11.564 -2.830 1.00 0.00 C ATOM 910 C ARG A 66 -9.897 11.293 -4.060 1.00 0.00 C ATOM 911 O ARG A 66 -9.757 11.934 -5.083 1.00 0.00 O ATOM 912 CB ARG A 66 -9.756 11.112 -1.562 1.00 0.00 C ATOM 913 CG ARG A 66 -9.282 9.711 -1.171 1.00 0.00 C ATOM 914 CD ARG A 66 -8.759 9.731 0.267 1.00 0.00 C ATOM 915 NE ARG A 66 -7.832 8.583 0.477 1.00 0.00 N ATOM 916 CZ ARG A 66 -7.175 8.473 1.599 1.00 0.00 C ATOM 917 NH1 ARG A 66 -7.783 8.044 2.671 1.00 0.00 N ATOM 918 NH2 ARG A 66 -5.911 8.791 1.649 1.00 0.00 N ATOM 0 H ARG A 66 -9.467 13.576 -2.277 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.090 11.011 -2.919 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -9.563 11.812 -0.749 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -10.833 11.109 -1.732 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -10.103 9.000 -1.261 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.497 9.379 -1.850 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.242 10.670 0.464 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.591 9.673 0.968 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.711 7.884 -0.256 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.771 7.795 2.632 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.270 7.958 3.548 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.436 9.126 0.811 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.398 8.705 2.526 1.00 0.00 H new ATOM 932 N TYR A 67 -10.797 10.352 -3.971 1.00 0.00 N ATOM 933 CA TYR A 67 -11.676 10.044 -5.135 1.00 0.00 C ATOM 934 C TYR A 67 -13.100 10.514 -4.833 1.00 0.00 C ATOM 935 O TYR A 67 -13.648 10.230 -3.785 1.00 0.00 O ATOM 936 CB TYR A 67 -11.682 8.532 -5.382 1.00 0.00 C ATOM 937 CG TYR A 67 -11.819 8.261 -6.862 1.00 0.00 C ATOM 938 CD1 TYR A 67 -10.677 8.174 -7.667 1.00 0.00 C ATOM 939 CD2 TYR A 67 -13.089 8.091 -7.428 1.00 0.00 C ATOM 940 CE1 TYR A 67 -10.804 7.920 -9.037 1.00 0.00 C ATOM 941 CE2 TYR A 67 -13.216 7.836 -8.798 1.00 0.00 C ATOM 942 CZ TYR A 67 -12.074 7.750 -9.603 1.00 0.00 C ATOM 943 OH TYR A 67 -12.198 7.499 -10.955 1.00 0.00 O ATOM 0 H TYR A 67 -10.962 9.782 -3.141 1.00 0.00 H new ATOM 0 HA TYR A 67 -11.302 10.557 -6.021 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -10.761 8.088 -5.004 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -12.505 8.068 -4.839 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -9.698 8.303 -7.230 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -13.970 8.157 -6.807 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -9.923 7.855 -9.658 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -14.195 7.706 -9.234 1.00 0.00 H new ATOM 0 HH TYR A 67 -13.146 7.406 -11.185 1.00 0.00 H new ATOM 953 N HIS A 68 -13.706 11.230 -5.740 1.00 0.00 N ATOM 954 CA HIS A 68 -15.095 11.715 -5.500 1.00 0.00 C ATOM 955 C HIS A 68 -15.171 12.387 -4.128 1.00 0.00 C ATOM 956 O HIS A 68 -14.562 13.432 -3.967 1.00 0.00 O ATOM 957 CB HIS A 68 -16.062 10.530 -5.541 1.00 0.00 C ATOM 958 CG HIS A 68 -17.331 10.941 -6.238 1.00 0.00 C ATOM 959 ND1 HIS A 68 -17.412 11.061 -7.616 1.00 0.00 N ATOM 960 CD2 HIS A 68 -18.579 11.258 -5.760 1.00 0.00 C ATOM 961 CE1 HIS A 68 -18.669 11.436 -7.918 1.00 0.00 C ATOM 962 NE2 HIS A 68 -19.422 11.570 -6.822 1.00 0.00 N ATOM 963 OXT HIS A 68 -15.838 11.846 -3.262 1.00 0.00 O ATOM 0 H HIS A 68 -13.300 11.500 -6.636 1.00 0.00 H new ATOM 0 HA HIS A 68 -15.367 12.434 -6.272 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -15.603 9.691 -6.063 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -16.284 10.193 -4.528 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -18.863 11.264 -4.718 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -19.025 11.608 -8.923 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -20.404 11.842 -6.774 1.00 0.00 H new TER 971 HIS A 68