USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=9 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 Single : A 1 GLY N :NH3+ -110:sc= 0.106 (180deg=0) 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= -0.321! C(o=-0.32!,f=-9.5!) USER MOD Single : A 18 THR OG1 : rot -41:sc= 1.03 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN :FLIP amide:sc= -1.79! C(o=-4.1!,f=-1.8!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= -0.0482 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 58 THR OG1 : rot 26:sc= 0.57 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 61 SER OG : rot 140:sc= -2.94! USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.426 X(o=-0.43,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.727 34.927 2.096 1.00 0.00 N ATOM 2 CA GLY A 1 -3.985 35.463 1.502 1.00 0.00 C ATOM 3 C GLY A 1 -4.697 34.353 0.724 1.00 0.00 C ATOM 4 O GLY A 1 -4.121 33.328 0.419 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.830 34.865 3.129 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.536 33.981 1.709 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.936 35.561 1.864 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.636 35.846 2.288 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.759 36.299 0.840 1.00 0.00 H new ATOM 10 N LYS A 2 -5.946 34.549 0.401 1.00 0.00 N ATOM 11 CA LYS A 2 -6.692 33.504 -0.358 1.00 0.00 C ATOM 12 C LYS A 2 -6.819 33.931 -1.821 1.00 0.00 C ATOM 13 O LYS A 2 -7.685 33.473 -2.539 1.00 0.00 O ATOM 14 CB LYS A 2 -8.088 33.332 0.245 1.00 0.00 C ATOM 15 CG LYS A 2 -8.603 31.922 -0.057 1.00 0.00 C ATOM 16 CD LYS A 2 -10.094 31.985 -0.396 1.00 0.00 C ATOM 17 CE LYS A 2 -10.890 31.201 0.650 1.00 0.00 C ATOM 18 NZ LYS A 2 -12.183 31.895 0.909 1.00 0.00 N ATOM 0 H LYS A 2 -6.482 35.386 0.629 1.00 0.00 H new ATOM 0 HA LYS A 2 -6.152 32.559 -0.299 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -8.053 33.495 1.322 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -8.769 34.076 -0.169 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -8.048 31.491 -0.890 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -8.442 31.272 0.803 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -10.429 33.022 -0.421 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -10.270 31.570 -1.388 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -11.073 30.186 0.298 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -10.317 31.119 1.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -12.726 31.364 1.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -11.997 32.855 1.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -12.730 31.951 0.026 1.00 0.00 H new ATOM 32 N GLU A 3 -5.961 34.808 -2.269 1.00 0.00 N ATOM 33 CA GLU A 3 -6.035 35.265 -3.685 1.00 0.00 C ATOM 34 C GLU A 3 -4.826 34.732 -4.457 1.00 0.00 C ATOM 35 O GLU A 3 -4.471 35.243 -5.501 1.00 0.00 O ATOM 36 CB GLU A 3 -6.033 36.795 -3.726 1.00 0.00 C ATOM 37 CG GLU A 3 -4.640 37.315 -3.364 1.00 0.00 C ATOM 38 CD GLU A 3 -4.747 38.755 -2.856 1.00 0.00 C ATOM 39 OE1 GLU A 3 -5.774 39.085 -2.285 1.00 0.00 O ATOM 40 OE2 GLU A 3 -3.802 39.501 -3.048 1.00 0.00 O ATOM 0 H GLU A 3 -5.213 35.227 -1.716 1.00 0.00 H new ATOM 0 HA GLU A 3 -6.951 34.890 -4.142 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.315 37.143 -4.720 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.772 37.189 -3.028 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -4.191 36.681 -2.599 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -3.987 37.274 -4.236 1.00 0.00 H new ATOM 47 N CYS A 4 -4.190 33.708 -3.954 1.00 0.00 N ATOM 48 CA CYS A 4 -3.006 33.151 -4.668 1.00 0.00 C ATOM 49 C CYS A 4 -3.359 31.783 -5.255 1.00 0.00 C ATOM 50 O CYS A 4 -3.527 30.814 -4.542 1.00 0.00 O ATOM 51 CB CYS A 4 -1.835 32.995 -3.693 1.00 0.00 C ATOM 52 SG CYS A 4 -1.310 34.621 -3.095 1.00 0.00 S ATOM 0 H CYS A 4 -4.438 33.236 -3.085 1.00 0.00 H new ATOM 0 HA CYS A 4 -2.721 33.832 -5.469 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -2.131 32.367 -2.853 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -1.003 32.494 -4.188 1.00 0.00 H new ATOM 57 N ASP A 5 -3.467 31.696 -6.553 1.00 0.00 N ATOM 58 CA ASP A 5 -3.800 30.391 -7.187 1.00 0.00 C ATOM 59 C ASP A 5 -2.508 29.705 -7.637 1.00 0.00 C ATOM 60 O ASP A 5 -2.500 28.545 -7.995 1.00 0.00 O ATOM 61 CB ASP A 5 -4.703 30.630 -8.399 1.00 0.00 C ATOM 62 CG ASP A 5 -5.389 29.320 -8.791 1.00 0.00 C ATOM 63 OD1 ASP A 5 -4.934 28.281 -8.344 1.00 0.00 O ATOM 64 OD2 ASP A 5 -6.357 29.379 -9.531 1.00 0.00 O ATOM 0 H ASP A 5 -3.339 32.473 -7.201 1.00 0.00 H new ATOM 0 HA ASP A 5 -4.319 29.756 -6.470 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -5.450 31.388 -8.165 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -4.115 31.009 -9.235 1.00 0.00 H new ATOM 69 N CYS A 6 -1.412 30.418 -7.619 1.00 0.00 N ATOM 70 CA CYS A 6 -0.121 29.810 -8.042 1.00 0.00 C ATOM 71 C CYS A 6 0.887 29.911 -6.894 1.00 0.00 C ATOM 72 O CYS A 6 0.641 30.556 -5.896 1.00 0.00 O ATOM 73 CB CYS A 6 0.418 30.557 -9.266 1.00 0.00 C ATOM 74 SG CYS A 6 0.977 32.208 -8.776 1.00 0.00 S ATOM 0 H CYS A 6 -1.358 31.395 -7.329 1.00 0.00 H new ATOM 0 HA CYS A 6 -0.277 28.762 -8.298 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.243 30.000 -9.710 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -0.359 30.636 -10.027 1.00 0.00 H new ATOM 79 N SER A 7 2.020 29.279 -7.029 1.00 0.00 N ATOM 80 CA SER A 7 3.039 29.342 -5.944 1.00 0.00 C ATOM 81 C SER A 7 4.405 29.678 -6.545 1.00 0.00 C ATOM 82 O SER A 7 5.429 29.522 -5.909 1.00 0.00 O ATOM 83 CB SER A 7 3.110 27.991 -5.233 1.00 0.00 C ATOM 84 OG SER A 7 1.985 27.854 -4.374 1.00 0.00 O ATOM 0 H SER A 7 2.284 28.723 -7.842 1.00 0.00 H new ATOM 0 HA SER A 7 2.760 30.114 -5.227 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.125 27.182 -5.964 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.033 27.918 -4.658 1.00 0.00 H new ATOM 0 HG SER A 7 2.026 26.988 -3.917 1.00 0.00 H new ATOM 90 N SER A 8 4.431 30.140 -7.766 1.00 0.00 N ATOM 91 CA SER A 8 5.731 30.487 -8.404 1.00 0.00 C ATOM 92 C SER A 8 5.691 31.943 -8.882 1.00 0.00 C ATOM 93 O SER A 8 4.702 32.381 -9.436 1.00 0.00 O ATOM 94 CB SER A 8 5.971 29.566 -9.601 1.00 0.00 C ATOM 95 OG SER A 8 5.344 28.313 -9.364 1.00 0.00 O ATOM 0 H SER A 8 3.607 30.292 -8.348 1.00 0.00 H new ATOM 0 HA SER A 8 6.537 30.363 -7.681 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.572 30.019 -10.509 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.041 29.426 -9.758 1.00 0.00 H new ATOM 0 HG SER A 8 5.495 27.721 -10.131 1.00 0.00 H new ATOM 101 N PRO A 9 6.770 32.652 -8.658 1.00 0.00 N ATOM 102 CA PRO A 9 6.888 34.064 -9.059 1.00 0.00 C ATOM 103 C PRO A 9 7.192 34.166 -10.555 1.00 0.00 C ATOM 104 O PRO A 9 7.400 35.240 -11.085 1.00 0.00 O ATOM 105 CB PRO A 9 8.067 34.576 -8.228 1.00 0.00 C ATOM 106 CG PRO A 9 8.903 33.333 -7.843 1.00 0.00 C ATOM 107 CD PRO A 9 7.971 32.115 -7.984 1.00 0.00 C ATOM 0 HA PRO A 9 5.976 34.636 -8.892 1.00 0.00 H new ATOM 0 HB2 PRO A 9 8.666 35.285 -8.800 1.00 0.00 H new ATOM 0 HB3 PRO A 9 7.717 35.099 -7.338 1.00 0.00 H new ATOM 0 HG2 PRO A 9 9.772 33.234 -8.494 1.00 0.00 H new ATOM 0 HG3 PRO A 9 9.277 33.419 -6.823 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.437 31.323 -8.571 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.724 31.688 -7.012 1.00 0.00 H new ATOM 115 N GLU A 10 7.225 33.056 -11.240 1.00 0.00 N ATOM 116 CA GLU A 10 7.523 33.090 -12.700 1.00 0.00 C ATOM 117 C GLU A 10 6.368 32.452 -13.475 1.00 0.00 C ATOM 118 O GLU A 10 6.572 31.785 -14.471 1.00 0.00 O ATOM 119 CB GLU A 10 8.811 32.309 -12.971 1.00 0.00 C ATOM 120 CG GLU A 10 9.891 32.747 -11.979 1.00 0.00 C ATOM 121 CD GLU A 10 11.008 31.703 -11.946 1.00 0.00 C ATOM 122 OE1 GLU A 10 11.703 31.575 -12.940 1.00 0.00 O ATOM 123 OE2 GLU A 10 11.150 31.049 -10.925 1.00 0.00 O ATOM 0 H GLU A 10 7.059 32.127 -10.852 1.00 0.00 H new ATOM 0 HA GLU A 10 7.646 34.124 -13.022 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.627 31.239 -12.876 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.148 32.485 -13.993 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.294 33.717 -12.269 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.460 32.865 -10.985 1.00 0.00 H new ATOM 130 N ASN A 11 5.158 32.650 -13.032 1.00 0.00 N ATOM 131 CA ASN A 11 3.997 32.053 -13.751 1.00 0.00 C ATOM 132 C ASN A 11 3.474 33.057 -14.787 1.00 0.00 C ATOM 133 O ASN A 11 3.372 34.234 -14.505 1.00 0.00 O ATOM 134 CB ASN A 11 2.889 31.731 -12.747 1.00 0.00 C ATOM 135 CG ASN A 11 1.902 30.742 -13.371 1.00 0.00 C ATOM 136 OD1 ASN A 11 0.947 31.139 -14.009 1.00 0.00 O ATOM 137 ND2 ASN A 11 2.094 29.460 -13.213 1.00 0.00 N ATOM 0 H ASN A 11 4.922 33.198 -12.205 1.00 0.00 H new ATOM 0 HA ASN A 11 4.307 31.137 -14.254 1.00 0.00 H new ATOM 0 HB2 ASN A 11 3.319 31.307 -11.839 1.00 0.00 H new ATOM 0 HB3 ASN A 11 2.370 32.645 -12.458 1.00 0.00 H new ATOM 0 HD21 ASN A 11 1.442 28.792 -13.625 1.00 0.00 H new ATOM 0 HD22 ASN A 11 2.896 29.127 -12.678 1.00 0.00 H new ATOM 144 N PRO A 12 3.165 32.563 -15.961 1.00 0.00 N ATOM 145 CA PRO A 12 2.658 33.398 -17.065 1.00 0.00 C ATOM 146 C PRO A 12 1.162 33.683 -16.897 1.00 0.00 C ATOM 147 O PRO A 12 0.680 34.738 -17.260 1.00 0.00 O ATOM 148 CB PRO A 12 2.903 32.534 -18.305 1.00 0.00 C ATOM 149 CG PRO A 12 2.988 31.070 -17.808 1.00 0.00 C ATOM 150 CD PRO A 12 3.296 31.131 -16.300 1.00 0.00 C ATOM 0 HA PRO A 12 3.145 34.372 -17.115 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.095 32.653 -19.027 1.00 0.00 H new ATOM 0 HB3 PRO A 12 3.825 32.828 -18.807 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.051 30.544 -17.990 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.768 30.525 -18.340 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.599 30.520 -15.726 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.298 30.760 -16.083 1.00 0.00 H new ATOM 158 N CYS A 13 0.423 32.750 -16.367 1.00 0.00 N ATOM 159 CA CYS A 13 -1.041 32.970 -16.196 1.00 0.00 C ATOM 160 C CYS A 13 -1.325 33.609 -14.838 1.00 0.00 C ATOM 161 O CYS A 13 -2.102 34.537 -14.734 1.00 0.00 O ATOM 162 CB CYS A 13 -1.770 31.630 -16.296 1.00 0.00 C ATOM 163 SG CYS A 13 -2.460 31.450 -17.959 1.00 0.00 S ATOM 0 H CYS A 13 0.768 31.846 -16.045 1.00 0.00 H new ATOM 0 HA CYS A 13 -1.394 33.640 -16.980 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -1.082 30.812 -16.084 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -2.565 31.579 -15.552 1.00 0.00 H new ATOM 168 N CYS A 14 -0.714 33.124 -13.792 1.00 0.00 N ATOM 169 CA CYS A 14 -0.974 33.715 -12.449 1.00 0.00 C ATOM 170 C CYS A 14 -0.250 35.062 -12.336 1.00 0.00 C ATOM 171 O CYS A 14 0.955 35.148 -12.479 1.00 0.00 O ATOM 172 CB CYS A 14 -0.526 32.719 -11.351 1.00 0.00 C ATOM 173 SG CYS A 14 0.986 33.259 -10.501 1.00 0.00 S ATOM 0 H CYS A 14 -0.050 32.349 -13.808 1.00 0.00 H new ATOM 0 HA CYS A 14 -2.040 33.899 -12.314 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.327 32.602 -10.622 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.358 31.740 -11.799 1.00 0.00 H new ATOM 178 N ASP A 15 -0.978 36.114 -12.082 1.00 0.00 N ATOM 179 CA ASP A 15 -0.335 37.451 -11.959 1.00 0.00 C ATOM 180 C ASP A 15 0.424 37.517 -10.633 1.00 0.00 C ATOM 181 O ASP A 15 -0.098 37.165 -9.595 1.00 0.00 O ATOM 182 CB ASP A 15 -1.409 38.542 -11.988 1.00 0.00 C ATOM 183 CG ASP A 15 -1.194 39.440 -13.209 1.00 0.00 C ATOM 184 OD1 ASP A 15 -0.598 38.972 -14.166 1.00 0.00 O ATOM 185 OD2 ASP A 15 -1.628 40.579 -13.166 1.00 0.00 O ATOM 0 H ASP A 15 -1.990 36.105 -11.954 1.00 0.00 H new ATOM 0 HA ASP A 15 0.355 37.605 -12.788 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -2.400 38.090 -12.026 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.364 39.135 -11.075 1.00 0.00 H new ATOM 190 N ALA A 16 1.652 37.956 -10.661 1.00 0.00 N ATOM 191 CA ALA A 16 2.440 38.035 -9.399 1.00 0.00 C ATOM 192 C ALA A 16 1.814 39.072 -8.463 1.00 0.00 C ATOM 193 O ALA A 16 1.851 38.934 -7.256 1.00 0.00 O ATOM 194 CB ALA A 16 3.878 38.442 -9.720 1.00 0.00 C ATOM 0 H ALA A 16 2.143 38.263 -11.501 1.00 0.00 H new ATOM 0 HA ALA A 16 2.437 37.060 -8.911 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.454 38.500 -8.797 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.327 37.701 -10.382 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.880 39.415 -10.210 1.00 0.00 H new ATOM 200 N ALA A 17 1.241 40.111 -9.008 1.00 0.00 N ATOM 201 CA ALA A 17 0.618 41.154 -8.145 1.00 0.00 C ATOM 202 C ALA A 17 -0.464 40.517 -7.272 1.00 0.00 C ATOM 203 O ALA A 17 -0.559 40.785 -6.090 1.00 0.00 O ATOM 204 CB ALA A 17 -0.011 42.239 -9.024 1.00 0.00 C ATOM 0 H ALA A 17 1.178 40.282 -10.012 1.00 0.00 H new ATOM 0 HA ALA A 17 1.383 41.600 -7.509 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.466 43.001 -8.391 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.759 42.696 -9.645 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.774 41.793 -9.662 1.00 0.00 H new ATOM 210 N THR A 18 -1.285 39.677 -7.842 1.00 0.00 N ATOM 211 CA THR A 18 -2.361 39.029 -7.039 1.00 0.00 C ATOM 212 C THR A 18 -2.148 37.514 -7.016 1.00 0.00 C ATOM 213 O THR A 18 -3.051 36.762 -6.706 1.00 0.00 O ATOM 214 CB THR A 18 -3.722 39.343 -7.663 1.00 0.00 C ATOM 215 OG1 THR A 18 -4.735 38.630 -6.967 1.00 0.00 O ATOM 216 CG2 THR A 18 -3.721 38.926 -9.135 1.00 0.00 C ATOM 0 H THR A 18 -1.257 39.412 -8.827 1.00 0.00 H new ATOM 0 HA THR A 18 -2.330 39.412 -6.019 1.00 0.00 H new ATOM 0 HB THR A 18 -3.916 40.413 -7.593 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.421 37.722 -6.772 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.692 39.151 -9.577 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.944 39.474 -9.668 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.527 37.856 -9.210 1.00 0.00 H new ATOM 224 N CYS A 19 -0.961 37.063 -7.341 1.00 0.00 N ATOM 225 CA CYS A 19 -0.671 35.594 -7.339 1.00 0.00 C ATOM 226 C CYS A 19 -1.886 34.823 -7.863 1.00 0.00 C ATOM 227 O CYS A 19 -2.144 33.707 -7.460 1.00 0.00 O ATOM 228 CB CYS A 19 -0.319 35.116 -5.919 1.00 0.00 C ATOM 229 SG CYS A 19 -1.459 35.831 -4.706 1.00 0.00 S ATOM 0 H CYS A 19 -0.174 37.654 -7.610 1.00 0.00 H new ATOM 0 HA CYS A 19 0.182 35.406 -7.991 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.366 34.028 -5.873 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.705 35.401 -5.677 1.00 0.00 H new ATOM 234 N LYS A 20 -2.641 35.411 -8.752 1.00 0.00 N ATOM 235 CA LYS A 20 -3.844 34.708 -9.284 1.00 0.00 C ATOM 236 C LYS A 20 -3.870 34.796 -10.812 1.00 0.00 C ATOM 237 O LYS A 20 -3.337 35.715 -11.401 1.00 0.00 O ATOM 238 CB LYS A 20 -5.103 35.368 -8.719 1.00 0.00 C ATOM 239 CG LYS A 20 -5.814 34.395 -7.777 1.00 0.00 C ATOM 240 CD LYS A 20 -7.035 33.805 -8.483 1.00 0.00 C ATOM 241 CE LYS A 20 -8.261 33.929 -7.575 1.00 0.00 C ATOM 242 NZ LYS A 20 -8.999 35.182 -7.905 1.00 0.00 N ATOM 0 H LYS A 20 -2.478 36.344 -9.131 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.808 33.660 -8.987 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.839 36.280 -8.184 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.770 35.657 -9.531 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.133 33.598 -7.478 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.120 34.911 -6.867 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.212 34.327 -9.423 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.856 32.758 -8.728 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.913 33.065 -7.706 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.953 33.940 -6.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.832 35.267 -7.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.375 36.001 -7.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.305 35.153 -8.898 1.00 0.00 H new ATOM 256 N LEU A 21 -4.497 33.848 -11.458 1.00 0.00 N ATOM 257 CA LEU A 21 -4.566 33.881 -12.947 1.00 0.00 C ATOM 258 C LEU A 21 -5.447 35.055 -13.379 1.00 0.00 C ATOM 259 O LEU A 21 -6.643 35.063 -13.167 1.00 0.00 O ATOM 260 CB LEU A 21 -5.149 32.564 -13.468 1.00 0.00 C ATOM 261 CG LEU A 21 -4.711 31.413 -12.558 1.00 0.00 C ATOM 262 CD1 LEU A 21 -5.916 30.887 -11.775 1.00 0.00 C ATOM 263 CD2 LEU A 21 -4.130 30.283 -13.410 1.00 0.00 C ATOM 0 H LEU A 21 -4.963 33.054 -11.019 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.565 34.007 -13.361 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.237 32.623 -13.499 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.811 32.383 -14.488 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.955 31.774 -11.861 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.601 30.068 -11.129 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.333 31.690 -11.167 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.674 30.528 -12.471 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.818 29.463 -12.763 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.888 29.927 -14.107 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.270 30.653 -13.967 1.00 0.00 H new ATOM 275 N ARG A 22 -4.851 36.054 -13.969 1.00 0.00 N ATOM 276 CA ARG A 22 -5.625 37.251 -14.408 1.00 0.00 C ATOM 277 C ARG A 22 -6.645 36.891 -15.496 1.00 0.00 C ATOM 278 O ARG A 22 -7.791 37.288 -15.415 1.00 0.00 O ATOM 279 CB ARG A 22 -4.656 38.300 -14.958 1.00 0.00 C ATOM 280 CG ARG A 22 -5.127 39.697 -14.550 1.00 0.00 C ATOM 281 CD ARG A 22 -5.088 40.624 -15.766 1.00 0.00 C ATOM 282 NE ARG A 22 -4.574 41.960 -15.355 1.00 0.00 N ATOM 283 CZ ARG A 22 -5.198 42.646 -14.437 1.00 0.00 C ATOM 284 NH1 ARG A 22 -6.502 42.608 -14.366 1.00 0.00 N ATOM 285 NH2 ARG A 22 -4.521 43.370 -13.589 1.00 0.00 N ATOM 0 H ARG A 22 -3.851 36.093 -14.168 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.167 37.642 -13.547 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.652 38.118 -14.576 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.602 38.226 -16.044 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.139 39.648 -14.149 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.489 40.091 -13.759 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.449 40.199 -16.540 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.086 40.722 -16.194 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.734 42.339 -15.791 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.033 42.042 -15.028 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.990 43.144 -13.648 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.503 43.400 -13.643 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.010 43.906 -12.872 1.00 0.00 H new ATOM 299 N PRO A 23 -6.204 36.171 -16.497 1.00 0.00 N ATOM 300 CA PRO A 23 -7.068 35.778 -17.625 1.00 0.00 C ATOM 301 C PRO A 23 -8.015 34.642 -17.228 1.00 0.00 C ATOM 302 O PRO A 23 -7.925 34.093 -16.148 1.00 0.00 O ATOM 303 CB PRO A 23 -6.075 35.327 -18.700 1.00 0.00 C ATOM 304 CG PRO A 23 -4.767 34.960 -17.961 1.00 0.00 C ATOM 305 CD PRO A 23 -4.814 35.676 -16.599 1.00 0.00 C ATOM 0 HA PRO A 23 -7.715 36.587 -17.964 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -6.463 34.471 -19.252 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -5.901 36.121 -19.426 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.687 33.881 -17.829 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -3.896 35.276 -18.535 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -4.573 34.995 -15.783 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -4.095 36.494 -16.554 1.00 0.00 H new ATOM 313 N GLY A 24 -8.931 34.297 -18.095 1.00 0.00 N ATOM 314 CA GLY A 24 -9.895 33.206 -17.777 1.00 0.00 C ATOM 315 C GLY A 24 -9.152 31.876 -17.680 1.00 0.00 C ATOM 316 O GLY A 24 -9.419 30.947 -18.417 1.00 0.00 O ATOM 0 H GLY A 24 -9.052 34.726 -19.012 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.403 33.419 -16.837 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.663 33.149 -18.549 1.00 0.00 H new ATOM 320 N ALA A 25 -8.223 31.774 -16.771 1.00 0.00 N ATOM 321 CA ALA A 25 -7.464 30.504 -16.620 1.00 0.00 C ATOM 322 C ALA A 25 -8.091 29.674 -15.502 1.00 0.00 C ATOM 323 O ALA A 25 -9.012 30.107 -14.837 1.00 0.00 O ATOM 324 CB ALA A 25 -6.010 30.823 -16.269 1.00 0.00 C ATOM 0 H ALA A 25 -7.957 32.518 -16.125 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.496 29.941 -17.553 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.450 29.894 -16.157 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.566 31.421 -17.065 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.976 31.382 -15.334 1.00 0.00 H new ATOM 330 N GLN A 26 -7.601 28.487 -15.286 1.00 0.00 N ATOM 331 CA GLN A 26 -8.173 27.633 -14.210 1.00 0.00 C ATOM 332 C GLN A 26 -7.140 27.465 -13.095 1.00 0.00 C ATOM 333 O GLN A 26 -7.408 27.733 -11.940 1.00 0.00 O ATOM 334 CB GLN A 26 -8.529 26.260 -14.782 1.00 0.00 C ATOM 335 CG GLN A 26 -9.938 25.867 -14.337 1.00 0.00 C ATOM 336 CD GLN A 26 -10.584 24.990 -15.410 1.00 0.00 C ATOM 337 OE1 GLN A 26 -11.008 25.537 -16.517 1.00 0.00 O flip ATOM 338 NE2 GLN A 26 -10.702 23.793 -15.241 1.00 0.00 N flip ATOM 0 H GLN A 26 -6.829 28.071 -15.808 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.071 28.104 -13.810 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.474 26.283 -15.870 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.809 25.516 -14.442 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.895 25.329 -13.390 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.541 26.760 -14.170 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.371 23.365 -14.376 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.132 23.216 -15.964 1.00 0.00 H new ATOM 347 N CYS A 27 -5.961 27.019 -13.431 1.00 0.00 N ATOM 348 CA CYS A 27 -4.914 26.830 -12.390 1.00 0.00 C ATOM 349 C CYS A 27 -3.538 27.144 -12.987 1.00 0.00 C ATOM 350 O CYS A 27 -3.248 26.805 -14.117 1.00 0.00 O ATOM 351 CB CYS A 27 -4.962 25.377 -11.898 1.00 0.00 C ATOM 352 SG CYS A 27 -3.431 24.953 -11.024 1.00 0.00 S ATOM 0 H CYS A 27 -5.678 26.778 -14.381 1.00 0.00 H new ATOM 0 HA CYS A 27 -5.092 27.502 -11.550 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.816 25.239 -11.235 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.103 24.705 -12.744 1.00 0.00 H new ATOM 357 N GLY A 28 -2.693 27.792 -12.233 1.00 0.00 N ATOM 358 CA GLY A 28 -1.338 28.133 -12.752 1.00 0.00 C ATOM 359 C GLY A 28 -0.294 27.215 -12.110 1.00 0.00 C ATOM 360 O GLY A 28 0.737 26.935 -12.690 1.00 0.00 O ATOM 0 H GLY A 28 -2.882 28.100 -11.279 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -1.315 28.024 -13.836 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.105 29.175 -12.532 1.00 0.00 H new ATOM 364 N GLU A 29 -0.547 26.747 -10.917 1.00 0.00 N ATOM 365 CA GLU A 29 0.439 25.850 -10.247 1.00 0.00 C ATOM 366 C GLU A 29 -0.284 24.644 -9.643 1.00 0.00 C ATOM 367 O GLU A 29 -1.407 24.741 -9.190 1.00 0.00 O ATOM 368 CB GLU A 29 1.158 26.618 -9.136 1.00 0.00 C ATOM 369 CG GLU A 29 2.458 25.896 -8.776 1.00 0.00 C ATOM 370 CD GLU A 29 2.198 24.917 -7.630 1.00 0.00 C ATOM 371 OE1 GLU A 29 1.559 25.315 -6.670 1.00 0.00 O ATOM 372 OE2 GLU A 29 2.643 23.785 -7.731 1.00 0.00 O ATOM 0 H GLU A 29 -1.390 26.946 -10.379 1.00 0.00 H new ATOM 0 HA GLU A 29 1.166 25.505 -10.983 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.373 27.635 -9.463 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.517 26.694 -8.258 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.842 25.361 -9.645 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.219 26.619 -8.485 1.00 0.00 H new ATOM 379 N GLY A 30 0.356 23.507 -9.634 1.00 0.00 N ATOM 380 CA GLY A 30 -0.281 22.286 -9.062 1.00 0.00 C ATOM 381 C GLY A 30 0.298 21.054 -9.761 1.00 0.00 C ATOM 382 O GLY A 30 1.393 21.089 -10.285 1.00 0.00 O ATOM 0 H GLY A 30 1.298 23.370 -10.000 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.098 22.232 -7.989 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -1.362 22.325 -9.199 1.00 0.00 H new ATOM 386 N LEU A 31 -0.427 19.968 -9.791 1.00 0.00 N ATOM 387 CA LEU A 31 0.101 18.756 -10.477 1.00 0.00 C ATOM 388 C LEU A 31 -0.841 18.374 -11.616 1.00 0.00 C ATOM 389 O LEU A 31 -0.756 17.296 -12.171 1.00 0.00 O ATOM 390 CB LEU A 31 0.228 17.581 -9.507 1.00 0.00 C ATOM 391 CG LEU A 31 -0.817 17.663 -8.412 1.00 0.00 C ATOM 392 CD1 LEU A 31 -2.112 17.016 -8.910 1.00 0.00 C ATOM 393 CD2 LEU A 31 -0.268 16.913 -7.197 1.00 0.00 C ATOM 0 H LEU A 31 -1.353 19.869 -9.374 1.00 0.00 H new ATOM 0 HA LEU A 31 1.093 18.985 -10.867 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.117 16.643 -10.051 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.224 17.577 -9.064 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.033 18.696 -8.141 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.870 17.070 -8.128 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.465 17.544 -9.796 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.924 15.972 -9.161 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.996 16.951 -6.386 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.079 15.874 -7.466 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.662 17.379 -6.872 1.00 0.00 H new ATOM 405 N CYS A 32 -1.738 19.250 -11.971 1.00 0.00 N ATOM 406 CA CYS A 32 -2.683 18.940 -13.076 1.00 0.00 C ATOM 407 C CYS A 32 -3.164 20.246 -13.710 1.00 0.00 C ATOM 408 O CYS A 32 -4.318 20.395 -14.056 1.00 0.00 O ATOM 409 CB CYS A 32 -3.875 18.154 -12.522 1.00 0.00 C ATOM 410 SG CYS A 32 -3.405 16.413 -12.348 1.00 0.00 S ATOM 0 H CYS A 32 -1.857 20.168 -11.543 1.00 0.00 H new ATOM 0 HA CYS A 32 -2.182 18.338 -13.833 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.178 18.560 -11.557 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.731 18.248 -13.190 1.00 0.00 H new ATOM 415 N CYS A 33 -2.277 21.192 -13.868 1.00 0.00 N ATOM 416 CA CYS A 33 -2.665 22.491 -14.483 1.00 0.00 C ATOM 417 C CYS A 33 -1.880 22.688 -15.782 1.00 0.00 C ATOM 418 O CYS A 33 -0.744 23.119 -15.771 1.00 0.00 O ATOM 419 CB CYS A 33 -2.337 23.635 -13.517 1.00 0.00 C ATOM 420 SG CYS A 33 -2.871 23.194 -11.844 1.00 0.00 S ATOM 0 H CYS A 33 -1.297 21.119 -13.596 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.734 22.488 -14.694 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.266 23.835 -13.526 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.835 24.550 -13.839 1.00 0.00 H new ATOM 425 N GLU A 34 -2.474 22.378 -16.901 1.00 0.00 N ATOM 426 CA GLU A 34 -1.760 22.550 -18.196 1.00 0.00 C ATOM 427 C GLU A 34 -2.447 23.649 -19.002 1.00 0.00 C ATOM 428 O GLU A 34 -3.658 23.703 -19.087 1.00 0.00 O ATOM 429 CB GLU A 34 -1.795 21.238 -18.982 1.00 0.00 C ATOM 430 CG GLU A 34 -0.493 20.471 -18.752 1.00 0.00 C ATOM 431 CD GLU A 34 -0.308 19.433 -19.859 1.00 0.00 C ATOM 432 OE1 GLU A 34 -0.969 19.556 -20.876 1.00 0.00 O ATOM 433 OE2 GLU A 34 0.492 18.530 -19.670 1.00 0.00 O ATOM 0 H GLU A 34 -3.424 22.013 -16.974 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.722 22.826 -18.009 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.646 20.635 -18.665 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.927 21.442 -20.045 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.351 21.161 -18.742 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.515 19.980 -17.779 1.00 0.00 H new ATOM 440 N GLN A 35 -1.689 24.531 -19.589 1.00 0.00 N ATOM 441 CA GLN A 35 -2.309 25.627 -20.379 1.00 0.00 C ATOM 442 C GLN A 35 -3.196 26.460 -19.454 1.00 0.00 C ATOM 443 O GLN A 35 -4.221 26.976 -19.855 1.00 0.00 O ATOM 444 CB GLN A 35 -3.159 25.030 -21.505 1.00 0.00 C ATOM 445 CG GLN A 35 -2.330 24.964 -22.789 1.00 0.00 C ATOM 446 CD GLN A 35 -1.642 23.602 -22.883 1.00 0.00 C ATOM 447 OE1 GLN A 35 -2.256 22.623 -23.257 1.00 0.00 O ATOM 448 NE2 GLN A 35 -0.384 23.497 -22.554 1.00 0.00 N ATOM 0 H GLN A 35 -0.670 24.540 -19.556 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.532 26.256 -20.813 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -3.500 24.033 -21.228 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -4.049 25.638 -21.665 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -2.971 25.120 -23.657 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -1.586 25.760 -22.795 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.131 24.319 -22.240 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.084 22.593 -22.611 1.00 0.00 H new ATOM 457 N CYS A 36 -2.812 26.588 -18.213 1.00 0.00 N ATOM 458 CA CYS A 36 -3.632 27.378 -17.256 1.00 0.00 C ATOM 459 C CYS A 36 -4.979 26.683 -17.061 1.00 0.00 C ATOM 460 O CYS A 36 -5.968 27.306 -16.730 1.00 0.00 O ATOM 461 CB CYS A 36 -3.861 28.783 -17.814 1.00 0.00 C ATOM 462 SG CYS A 36 -2.285 29.480 -18.360 1.00 0.00 S ATOM 0 H CYS A 36 -1.964 26.178 -17.822 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.112 27.451 -16.301 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -4.562 28.745 -18.648 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -4.308 29.420 -17.051 1.00 0.00 H new ATOM 467 N LYS A 37 -5.025 25.395 -17.266 1.00 0.00 N ATOM 468 CA LYS A 37 -6.309 24.662 -17.096 1.00 0.00 C ATOM 469 C LYS A 37 -6.031 23.265 -16.539 1.00 0.00 C ATOM 470 O LYS A 37 -4.902 22.823 -16.479 1.00 0.00 O ATOM 471 CB LYS A 37 -7.008 24.541 -18.452 1.00 0.00 C ATOM 472 CG LYS A 37 -8.000 25.694 -18.620 1.00 0.00 C ATOM 473 CD LYS A 37 -8.441 25.780 -20.083 1.00 0.00 C ATOM 474 CE LYS A 37 -9.928 25.442 -20.191 1.00 0.00 C ATOM 475 NZ LYS A 37 -10.087 23.984 -20.449 1.00 0.00 N ATOM 0 H LYS A 37 -4.229 24.820 -17.543 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.950 25.207 -16.403 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.272 24.561 -19.256 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.529 23.586 -18.520 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.866 25.539 -17.977 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.538 26.632 -18.313 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.256 26.782 -20.471 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.856 25.090 -20.691 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.443 25.718 -19.271 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.385 26.017 -20.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.098 23.753 -20.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.609 23.735 -21.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.665 23.445 -19.666 1.00 0.00 H new ATOM 489 N PHE A 38 -7.055 22.567 -16.128 1.00 0.00 N ATOM 490 CA PHE A 38 -6.848 21.199 -15.574 1.00 0.00 C ATOM 491 C PHE A 38 -6.390 20.261 -16.691 1.00 0.00 C ATOM 492 O PHE A 38 -7.011 20.165 -17.731 1.00 0.00 O ATOM 493 CB PHE A 38 -8.160 20.682 -14.982 1.00 0.00 C ATOM 494 CG PHE A 38 -8.577 21.568 -13.833 1.00 0.00 C ATOM 495 CD1 PHE A 38 -7.618 22.046 -12.932 1.00 0.00 C ATOM 496 CD2 PHE A 38 -9.924 21.910 -13.669 1.00 0.00 C ATOM 497 CE1 PHE A 38 -8.006 22.868 -11.868 1.00 0.00 C ATOM 498 CE2 PHE A 38 -10.313 22.731 -12.605 1.00 0.00 C ATOM 499 CZ PHE A 38 -9.354 23.209 -11.703 1.00 0.00 C ATOM 0 H PHE A 38 -8.024 22.884 -16.152 1.00 0.00 H new ATOM 0 HA PHE A 38 -6.088 21.236 -14.794 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.937 20.670 -15.747 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -8.036 19.655 -14.637 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -6.579 21.780 -13.058 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -10.663 21.540 -14.364 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -7.266 23.239 -11.174 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -11.352 22.996 -12.479 1.00 0.00 H new ATOM 0 HZ PHE A 38 -9.654 23.841 -10.880 1.00 0.00 H new ATOM 509 N SER A 39 -5.303 19.566 -16.485 1.00 0.00 N ATOM 510 CA SER A 39 -4.804 18.634 -17.534 1.00 0.00 C ATOM 511 C SER A 39 -5.932 17.695 -17.964 1.00 0.00 C ATOM 512 O SER A 39 -6.721 18.012 -18.832 1.00 0.00 O ATOM 513 CB SER A 39 -3.637 17.817 -16.977 1.00 0.00 C ATOM 514 OG SER A 39 -2.452 18.603 -17.020 1.00 0.00 O ATOM 0 H SER A 39 -4.740 19.604 -15.635 1.00 0.00 H new ATOM 0 HA SER A 39 -4.465 19.207 -18.397 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.848 17.512 -15.952 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.504 16.906 -17.560 1.00 0.00 H new ATOM 0 HG SER A 39 -1.702 18.084 -16.662 1.00 0.00 H new ATOM 520 N ARG A 40 -6.013 16.544 -17.364 1.00 0.00 N ATOM 521 CA ARG A 40 -7.089 15.585 -17.737 1.00 0.00 C ATOM 522 C ARG A 40 -7.640 14.922 -16.477 1.00 0.00 C ATOM 523 O ARG A 40 -7.045 14.984 -15.419 1.00 0.00 O ATOM 524 CB ARG A 40 -6.519 14.511 -18.665 1.00 0.00 C ATOM 525 CG ARG A 40 -7.407 14.381 -19.903 1.00 0.00 C ATOM 526 CD ARG A 40 -7.025 15.459 -20.919 1.00 0.00 C ATOM 527 NE ARG A 40 -8.202 16.332 -21.184 1.00 0.00 N ATOM 528 CZ ARG A 40 -8.115 17.295 -22.058 1.00 0.00 C ATOM 529 NH1 ARG A 40 -7.077 18.087 -22.054 1.00 0.00 N ATOM 530 NH2 ARG A 40 -9.063 17.467 -22.936 1.00 0.00 N ATOM 0 H ARG A 40 -5.381 16.224 -16.630 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.889 16.121 -18.248 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.503 14.772 -18.960 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.464 13.556 -18.142 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.290 13.392 -20.345 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.456 14.484 -19.624 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.195 16.055 -20.538 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.686 14.996 -21.846 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.076 16.176 -20.682 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.335 17.952 -21.367 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.008 18.841 -22.738 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.874 16.848 -22.939 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.994 18.221 -23.620 1.00 0.00 H new ATOM 544 N ALA A 41 -8.771 14.282 -16.580 1.00 0.00 N ATOM 545 CA ALA A 41 -9.357 13.610 -15.388 1.00 0.00 C ATOM 546 C ALA A 41 -8.675 12.255 -15.196 1.00 0.00 C ATOM 547 O ALA A 41 -8.245 11.626 -16.143 1.00 0.00 O ATOM 548 CB ALA A 41 -10.858 13.407 -15.596 1.00 0.00 C ATOM 0 H ALA A 41 -9.315 14.195 -17.439 1.00 0.00 H new ATOM 0 HA ALA A 41 -9.202 14.228 -14.504 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.283 12.915 -14.721 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.340 14.374 -15.738 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.023 12.787 -16.477 1.00 0.00 H new ATOM 554 N GLY A 42 -8.567 11.803 -13.979 1.00 0.00 N ATOM 555 CA GLY A 42 -7.904 10.494 -13.728 1.00 0.00 C ATOM 556 C GLY A 42 -6.399 10.646 -13.951 1.00 0.00 C ATOM 557 O GLY A 42 -5.701 9.689 -14.224 1.00 0.00 O ATOM 0 H GLY A 42 -8.909 12.283 -13.147 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.102 10.161 -12.709 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.308 9.733 -14.396 1.00 0.00 H new ATOM 561 N LYS A 43 -5.893 11.844 -13.832 1.00 0.00 N ATOM 562 CA LYS A 43 -4.431 12.055 -14.033 1.00 0.00 C ATOM 563 C LYS A 43 -3.694 11.601 -12.770 1.00 0.00 C ATOM 564 O LYS A 43 -3.894 12.131 -11.698 1.00 0.00 O ATOM 565 CB LYS A 43 -4.164 13.541 -14.315 1.00 0.00 C ATOM 566 CG LYS A 43 -2.732 13.911 -13.919 1.00 0.00 C ATOM 567 CD LYS A 43 -1.746 13.004 -14.658 1.00 0.00 C ATOM 568 CE LYS A 43 -0.735 13.861 -15.419 1.00 0.00 C ATOM 569 NZ LYS A 43 0.115 12.986 -16.274 1.00 0.00 N ATOM 0 H LYS A 43 -6.427 12.683 -13.605 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.074 11.475 -14.884 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.321 13.751 -15.373 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.872 14.156 -13.760 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.535 14.955 -14.163 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.603 13.805 -12.842 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.229 12.357 -13.949 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.282 12.354 -15.350 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.255 14.595 -16.035 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.113 14.417 -14.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.803 13.569 -16.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.621 12.302 -15.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.485 12.475 -16.952 1.00 0.00 H new ATOM 583 N ILE A 44 -2.856 10.611 -12.894 1.00 0.00 N ATOM 584 CA ILE A 44 -2.116 10.094 -11.708 1.00 0.00 C ATOM 585 C ILE A 44 -1.258 11.197 -11.082 1.00 0.00 C ATOM 586 O ILE A 44 -0.372 11.745 -11.709 1.00 0.00 O ATOM 587 CB ILE A 44 -1.213 8.944 -12.149 1.00 0.00 C ATOM 588 CG1 ILE A 44 -2.072 7.750 -12.570 1.00 0.00 C ATOM 589 CG2 ILE A 44 -0.298 8.533 -10.994 1.00 0.00 C ATOM 590 CD1 ILE A 44 -2.695 7.106 -11.331 1.00 0.00 C ATOM 0 H ILE A 44 -2.650 10.134 -13.772 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.836 9.749 -10.966 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.604 9.269 -12.993 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.854 8.075 -13.256 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.463 7.021 -13.104 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.344 7.712 -11.313 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.318 9.382 -10.698 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.904 8.211 -10.147 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.307 6.255 -11.632 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.905 6.766 -10.661 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.318 7.837 -10.815 1.00 0.00 H new ATOM 602 N CYS A 45 -1.505 11.506 -9.838 1.00 0.00 N ATOM 603 CA CYS A 45 -0.700 12.551 -9.144 1.00 0.00 C ATOM 604 C CYS A 45 0.181 11.883 -8.089 1.00 0.00 C ATOM 605 O CYS A 45 1.253 12.355 -7.767 1.00 0.00 O ATOM 606 CB CYS A 45 -1.627 13.552 -8.463 1.00 0.00 C ATOM 607 SG CYS A 45 -2.832 12.672 -7.438 1.00 0.00 S ATOM 0 H CYS A 45 -2.235 11.076 -9.269 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.080 13.074 -9.872 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.046 14.240 -7.848 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.143 14.152 -9.212 1.00 0.00 H new ATOM 612 N ARG A 46 -0.265 10.781 -7.548 1.00 0.00 N ATOM 613 CA ARG A 46 0.543 10.074 -6.515 1.00 0.00 C ATOM 614 C ARG A 46 0.245 8.577 -6.578 1.00 0.00 C ATOM 615 O ARG A 46 -0.852 8.165 -6.898 1.00 0.00 O ATOM 616 CB ARG A 46 0.179 10.601 -5.125 1.00 0.00 C ATOM 617 CG ARG A 46 0.441 12.106 -5.058 1.00 0.00 C ATOM 618 CD ARG A 46 0.026 12.635 -3.684 1.00 0.00 C ATOM 619 NE ARG A 46 0.884 13.798 -3.321 1.00 0.00 N ATOM 620 CZ ARG A 46 0.499 14.631 -2.392 1.00 0.00 C ATOM 621 NH1 ARG A 46 -0.698 15.150 -2.438 1.00 0.00 N ATOM 622 NH2 ARG A 46 1.312 14.946 -1.420 1.00 0.00 N ATOM 0 H ARG A 46 -1.156 10.340 -7.778 1.00 0.00 H new ATOM 0 HA ARG A 46 1.602 10.249 -6.704 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.870 10.395 -4.911 1.00 0.00 H new ATOM 0 HB3 ARG A 46 0.767 10.086 -4.365 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.497 12.310 -5.234 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.118 12.619 -5.841 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.022 12.933 -3.698 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.124 11.849 -2.935 1.00 0.00 H new ATOM 0 HE ARG A 46 1.773 13.944 -3.799 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.331 14.905 -3.199 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.000 15.801 -1.713 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.248 14.541 -1.386 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.011 15.597 -0.694 1.00 0.00 H new ATOM 636 N ILE A 47 1.212 7.759 -6.271 1.00 0.00 N ATOM 637 CA ILE A 47 0.982 6.291 -6.308 1.00 0.00 C ATOM 638 C ILE A 47 1.365 5.696 -4.944 1.00 0.00 C ATOM 639 O ILE A 47 2.498 5.816 -4.523 1.00 0.00 O ATOM 640 CB ILE A 47 1.840 5.672 -7.433 1.00 0.00 C ATOM 641 CG1 ILE A 47 0.918 4.995 -8.452 1.00 0.00 C ATOM 642 CG2 ILE A 47 2.821 4.631 -6.871 1.00 0.00 C ATOM 643 CD1 ILE A 47 1.749 4.125 -9.400 1.00 0.00 C ATOM 0 H ILE A 47 2.152 8.045 -5.996 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.067 6.073 -6.509 1.00 0.00 H new ATOM 0 HB ILE A 47 2.415 6.467 -7.908 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.177 4.384 -7.937 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.371 5.748 -9.019 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.412 4.211 -7.685 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.484 5.108 -6.149 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.263 3.834 -6.379 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.091 3.644 -10.124 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.473 4.748 -9.925 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.276 3.362 -8.826 1.00 0.00 H new ATOM 655 N PRO A 48 0.423 5.057 -4.302 1.00 0.00 N ATOM 656 CA PRO A 48 0.663 4.427 -3.001 1.00 0.00 C ATOM 657 C PRO A 48 1.366 3.083 -3.206 1.00 0.00 C ATOM 658 O PRO A 48 1.947 2.825 -4.241 1.00 0.00 O ATOM 659 CB PRO A 48 -0.744 4.236 -2.427 1.00 0.00 C ATOM 660 CG PRO A 48 -1.712 4.240 -3.634 1.00 0.00 C ATOM 661 CD PRO A 48 -0.959 4.905 -4.802 1.00 0.00 C ATOM 0 HA PRO A 48 1.301 5.013 -2.339 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -0.815 3.298 -1.876 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -0.991 5.036 -1.729 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.011 3.225 -3.894 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -2.623 4.790 -3.398 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.992 4.288 -5.700 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -1.397 5.869 -5.061 1.00 0.00 H new ATOM 669 N ARG A 49 1.308 2.227 -2.232 1.00 0.00 N ATOM 670 CA ARG A 49 1.959 0.896 -2.364 1.00 0.00 C ATOM 671 C ARG A 49 1.080 -0.135 -1.658 1.00 0.00 C ATOM 672 O ARG A 49 1.550 -0.971 -0.912 1.00 0.00 O ATOM 673 CB ARG A 49 3.343 0.933 -1.714 1.00 0.00 C ATOM 674 CG ARG A 49 4.345 1.559 -2.686 1.00 0.00 C ATOM 675 CD ARG A 49 4.536 0.634 -3.889 1.00 0.00 C ATOM 676 NE ARG A 49 5.822 -0.102 -3.746 1.00 0.00 N ATOM 677 CZ ARG A 49 5.831 -1.307 -3.247 1.00 0.00 C ATOM 678 NH1 ARG A 49 4.895 -2.156 -3.577 1.00 0.00 N ATOM 679 NH2 ARG A 49 6.773 -1.662 -2.418 1.00 0.00 N ATOM 0 H ARG A 49 0.835 2.391 -1.343 1.00 0.00 H new ATOM 0 HA ARG A 49 2.075 0.633 -3.415 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.307 1.510 -0.790 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.659 -0.076 -1.448 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.986 2.534 -3.017 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.299 1.724 -2.185 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.707 -0.070 -3.956 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.537 1.214 -4.812 1.00 0.00 H new ATOM 0 HE ARG A 49 6.696 0.336 -4.038 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.158 -1.876 -4.224 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.901 -3.099 -3.187 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.502 -0.997 -2.160 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.780 -2.604 -2.028 1.00 0.00 H new ATOM 693 N LEU A 50 -0.200 -0.062 -1.888 1.00 0.00 N ATOM 694 CA LEU A 50 -1.143 -1.012 -1.235 1.00 0.00 C ATOM 695 C LEU A 50 -2.041 -1.648 -2.297 1.00 0.00 C ATOM 696 O LEU A 50 -1.787 -1.544 -3.481 1.00 0.00 O ATOM 697 CB LEU A 50 -2.016 -0.258 -0.220 1.00 0.00 C ATOM 698 CG LEU A 50 -2.048 1.240 -0.552 1.00 0.00 C ATOM 699 CD1 LEU A 50 -2.635 1.452 -1.950 1.00 0.00 C ATOM 700 CD2 LEU A 50 -2.918 1.971 0.469 1.00 0.00 C ATOM 0 H LEU A 50 -0.638 0.621 -2.506 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.575 -1.787 -0.721 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.029 -0.661 -0.231 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.625 -0.406 0.787 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.031 1.632 -0.521 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.655 2.518 -2.179 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.019 0.934 -2.685 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.650 1.055 -1.983 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.940 3.035 0.233 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.931 1.571 0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.504 1.830 1.467 1.00 0.00 H new ATOM 712 N ASP A 51 -3.095 -2.296 -1.885 1.00 0.00 N ATOM 713 CA ASP A 51 -4.013 -2.926 -2.872 1.00 0.00 C ATOM 714 C ASP A 51 -5.031 -1.887 -3.349 1.00 0.00 C ATOM 715 O ASP A 51 -5.814 -2.137 -4.244 1.00 0.00 O ATOM 716 CB ASP A 51 -4.749 -4.095 -2.211 1.00 0.00 C ATOM 717 CG ASP A 51 -5.560 -4.849 -3.266 1.00 0.00 C ATOM 718 OD1 ASP A 51 -5.477 -4.481 -4.426 1.00 0.00 O ATOM 719 OD2 ASP A 51 -6.252 -5.784 -2.896 1.00 0.00 O ATOM 0 H ASP A 51 -3.360 -2.416 -0.907 1.00 0.00 H new ATOM 0 HA ASP A 51 -3.439 -3.294 -3.723 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.034 -4.768 -1.737 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.408 -3.726 -1.425 1.00 0.00 H new ATOM 724 N MET A 52 -5.026 -0.722 -2.758 1.00 0.00 N ATOM 725 CA MET A 52 -5.992 0.332 -3.176 1.00 0.00 C ATOM 726 C MET A 52 -5.552 0.928 -4.518 1.00 0.00 C ATOM 727 O MET A 52 -4.474 0.641 -4.998 1.00 0.00 O ATOM 728 CB MET A 52 -6.035 1.437 -2.117 1.00 0.00 C ATOM 729 CG MET A 52 -7.363 1.369 -1.361 1.00 0.00 C ATOM 730 SD MET A 52 -7.124 0.496 0.206 1.00 0.00 S ATOM 731 CE MET A 52 -8.151 -0.944 -0.178 1.00 0.00 C ATOM 0 H MET A 52 -4.394 -0.456 -2.003 1.00 0.00 H new ATOM 0 HA MET A 52 -6.984 -0.108 -3.282 1.00 0.00 H new ATOM 0 HB2 MET A 52 -5.203 1.322 -1.422 1.00 0.00 H new ATOM 0 HB3 MET A 52 -5.923 2.413 -2.590 1.00 0.00 H new ATOM 0 HG2 MET A 52 -7.739 2.375 -1.175 1.00 0.00 H new ATOM 0 HG3 MET A 52 -8.111 0.855 -1.965 1.00 0.00 H new ATOM 0 HE1 MET A 52 -8.147 -1.630 0.669 1.00 0.00 H new ATOM 0 HE2 MET A 52 -9.172 -0.620 -0.378 1.00 0.00 H new ATOM 0 HE3 MET A 52 -7.753 -1.451 -1.057 1.00 0.00 H new ATOM 741 N PRO A 53 -6.409 1.741 -5.082 1.00 0.00 N ATOM 742 CA PRO A 53 -6.148 2.400 -6.374 1.00 0.00 C ATOM 743 C PRO A 53 -5.194 3.587 -6.194 1.00 0.00 C ATOM 744 O PRO A 53 -5.116 4.181 -5.138 1.00 0.00 O ATOM 745 CB PRO A 53 -7.533 2.876 -6.820 1.00 0.00 C ATOM 746 CG PRO A 53 -8.397 2.972 -5.540 1.00 0.00 C ATOM 747 CD PRO A 53 -7.718 2.079 -4.484 1.00 0.00 C ATOM 0 HA PRO A 53 -5.673 1.741 -7.100 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -7.469 3.843 -7.318 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.972 2.178 -7.533 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -8.461 4.003 -5.192 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.416 2.637 -5.734 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -7.599 2.604 -3.536 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -8.306 1.184 -4.282 1.00 0.00 H new ATOM 755 N ASP A 54 -4.470 3.933 -7.224 1.00 0.00 N ATOM 756 CA ASP A 54 -3.523 5.080 -7.122 1.00 0.00 C ATOM 757 C ASP A 54 -4.313 6.389 -7.080 1.00 0.00 C ATOM 758 O ASP A 54 -5.489 6.426 -7.384 1.00 0.00 O ATOM 759 CB ASP A 54 -2.599 5.084 -8.342 1.00 0.00 C ATOM 760 CG ASP A 54 -1.968 3.700 -8.508 1.00 0.00 C ATOM 761 OD1 ASP A 54 -2.074 2.908 -7.586 1.00 0.00 O ATOM 762 OD2 ASP A 54 -1.389 3.456 -9.554 1.00 0.00 O ATOM 0 H ASP A 54 -4.494 3.470 -8.133 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.929 4.983 -6.213 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.162 5.349 -9.237 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.821 5.838 -8.220 1.00 0.00 H new ATOM 767 N ASP A 55 -3.675 7.466 -6.710 1.00 0.00 N ATOM 768 CA ASP A 55 -4.391 8.772 -6.655 1.00 0.00 C ATOM 769 C ASP A 55 -4.296 9.454 -8.020 1.00 0.00 C ATOM 770 O ASP A 55 -3.258 9.457 -8.651 1.00 0.00 O ATOM 771 CB ASP A 55 -3.747 9.662 -5.591 1.00 0.00 C ATOM 772 CG ASP A 55 -4.331 9.320 -4.218 1.00 0.00 C ATOM 773 OD1 ASP A 55 -4.009 8.259 -3.707 1.00 0.00 O ATOM 774 OD2 ASP A 55 -5.090 10.123 -3.703 1.00 0.00 O ATOM 0 H ASP A 55 -2.691 7.498 -6.444 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.438 8.607 -6.401 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.667 9.516 -5.585 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.926 10.712 -5.823 1.00 0.00 H new ATOM 779 N ARG A 56 -5.371 10.030 -8.485 1.00 0.00 N ATOM 780 CA ARG A 56 -5.333 10.708 -9.814 1.00 0.00 C ATOM 781 C ARG A 56 -6.195 11.972 -9.768 1.00 0.00 C ATOM 782 O ARG A 56 -7.132 12.065 -9.001 1.00 0.00 O ATOM 783 CB ARG A 56 -5.879 9.769 -10.898 1.00 0.00 C ATOM 784 CG ARG A 56 -5.808 8.314 -10.424 1.00 0.00 C ATOM 785 CD ARG A 56 -6.426 7.403 -11.487 1.00 0.00 C ATOM 786 NE ARG A 56 -7.876 7.221 -11.199 1.00 0.00 N ATOM 787 CZ ARG A 56 -8.269 6.268 -10.399 1.00 0.00 C ATOM 788 NH1 ARG A 56 -7.728 5.083 -10.482 1.00 0.00 N ATOM 789 NH2 ARG A 56 -9.199 6.499 -9.515 1.00 0.00 N ATOM 0 H ARG A 56 -6.271 10.061 -8.005 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.301 10.971 -10.048 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.910 10.033 -11.132 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.304 9.888 -11.816 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.772 8.029 -10.243 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.339 8.201 -9.479 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.292 7.838 -12.477 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.921 6.437 -11.493 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.562 7.842 -11.628 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.999 4.903 -11.172 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.035 4.337 -9.857 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.620 7.426 -9.448 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.505 5.753 -8.890 1.00 0.00 H new ATOM 803 N CYS A 57 -5.895 12.943 -10.590 1.00 0.00 N ATOM 804 CA CYS A 57 -6.713 14.193 -10.591 1.00 0.00 C ATOM 805 C CYS A 57 -8.105 13.877 -11.139 1.00 0.00 C ATOM 806 O CYS A 57 -8.294 12.909 -11.848 1.00 0.00 O ATOM 807 CB CYS A 57 -6.054 15.250 -11.479 1.00 0.00 C ATOM 808 SG CYS A 57 -4.469 15.752 -10.765 1.00 0.00 S ATOM 0 H CYS A 57 -5.124 12.926 -11.257 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.787 14.575 -9.573 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -5.901 14.851 -12.482 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -6.709 16.116 -11.577 1.00 0.00 H new ATOM 813 N THR A 58 -9.078 14.686 -10.821 1.00 0.00 N ATOM 814 CA THR A 58 -10.455 14.427 -11.330 1.00 0.00 C ATOM 815 C THR A 58 -10.769 15.386 -12.479 1.00 0.00 C ATOM 816 O THR A 58 -11.902 15.514 -12.900 1.00 0.00 O ATOM 817 CB THR A 58 -11.472 14.630 -10.204 1.00 0.00 C ATOM 818 OG1 THR A 58 -12.722 15.010 -10.762 1.00 0.00 O ATOM 819 CG2 THR A 58 -10.983 15.725 -9.255 1.00 0.00 C ATOM 0 H THR A 58 -8.980 15.513 -10.232 1.00 0.00 H new ATOM 0 HA THR A 58 -10.514 13.399 -11.688 1.00 0.00 H new ATOM 0 HB THR A 58 -11.586 13.699 -9.648 1.00 0.00 H new ATOM 0 HG1 THR A 58 -12.788 14.670 -11.679 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.711 15.865 -8.456 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.024 15.433 -8.826 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.865 16.658 -9.806 1.00 0.00 H new ATOM 827 N GLY A 59 -9.777 16.062 -12.990 1.00 0.00 N ATOM 828 CA GLY A 59 -10.025 17.014 -14.110 1.00 0.00 C ATOM 829 C GLY A 59 -10.485 18.357 -13.541 1.00 0.00 C ATOM 830 O GLY A 59 -10.544 19.352 -14.238 1.00 0.00 O ATOM 0 H GLY A 59 -8.807 15.997 -12.681 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.116 17.147 -14.697 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -10.783 16.612 -14.783 1.00 0.00 H new ATOM 834 N GLN A 60 -10.812 18.395 -12.278 1.00 0.00 N ATOM 835 CA GLN A 60 -11.267 19.670 -11.658 1.00 0.00 C ATOM 836 C GLN A 60 -10.332 20.031 -10.504 1.00 0.00 C ATOM 837 O GLN A 60 -10.378 21.124 -9.973 1.00 0.00 O ATOM 838 CB GLN A 60 -12.699 19.513 -11.128 1.00 0.00 C ATOM 839 CG GLN A 60 -12.977 18.044 -10.797 1.00 0.00 C ATOM 840 CD GLN A 60 -14.476 17.849 -10.567 1.00 0.00 C ATOM 841 OE1 GLN A 60 -15.268 18.023 -11.471 1.00 0.00 O ATOM 842 NE2 GLN A 60 -14.902 17.492 -9.387 1.00 0.00 N ATOM 0 H GLN A 60 -10.783 17.594 -11.647 1.00 0.00 H new ATOM 0 HA GLN A 60 -11.250 20.461 -12.407 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -12.835 20.127 -10.238 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -13.412 19.868 -11.872 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -12.637 17.406 -11.613 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -12.420 17.749 -9.908 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -14.237 17.346 -8.627 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -15.900 17.359 -9.224 1.00 0.00 H new ATOM 851 N SER A 61 -9.483 19.121 -10.107 1.00 0.00 N ATOM 852 CA SER A 61 -8.549 19.417 -8.983 1.00 0.00 C ATOM 853 C SER A 61 -7.157 19.739 -9.534 1.00 0.00 C ATOM 854 O SER A 61 -6.454 18.872 -10.014 1.00 0.00 O ATOM 855 CB SER A 61 -8.458 18.199 -8.064 1.00 0.00 C ATOM 856 OG SER A 61 -8.696 17.021 -8.823 1.00 0.00 O ATOM 0 H SER A 61 -9.396 18.189 -10.511 1.00 0.00 H new ATOM 0 HA SER A 61 -8.923 20.274 -8.423 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.474 18.153 -7.598 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.188 18.281 -7.259 1.00 0.00 H new ATOM 0 HG SER A 61 -8.083 16.314 -8.531 1.00 0.00 H new ATOM 862 N ALA A 62 -6.748 20.978 -9.462 1.00 0.00 N ATOM 863 CA ALA A 62 -5.397 21.348 -9.973 1.00 0.00 C ATOM 864 C ALA A 62 -4.340 20.597 -9.166 1.00 0.00 C ATOM 865 O ALA A 62 -3.552 19.845 -9.704 1.00 0.00 O ATOM 866 CB ALA A 62 -5.184 22.855 -9.819 1.00 0.00 C ATOM 0 H ALA A 62 -7.291 21.748 -9.072 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.316 21.082 -11.027 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.196 23.123 -10.193 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.945 23.390 -10.388 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.259 23.127 -8.766 1.00 0.00 H new ATOM 872 N ASP A 63 -4.326 20.780 -7.872 1.00 0.00 N ATOM 873 CA ASP A 63 -3.330 20.060 -7.034 1.00 0.00 C ATOM 874 C ASP A 63 -3.827 18.633 -6.813 1.00 0.00 C ATOM 875 O ASP A 63 -4.902 18.271 -7.249 1.00 0.00 O ATOM 876 CB ASP A 63 -3.180 20.765 -5.683 1.00 0.00 C ATOM 877 CG ASP A 63 -3.391 22.269 -5.862 1.00 0.00 C ATOM 878 OD1 ASP A 63 -4.512 22.662 -6.139 1.00 0.00 O ATOM 879 OD2 ASP A 63 -2.428 23.004 -5.716 1.00 0.00 O ATOM 0 H ASP A 63 -4.960 21.396 -7.363 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.362 20.049 -7.534 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.905 20.368 -4.972 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.190 20.573 -5.269 1.00 0.00 H new ATOM 884 N CYS A 64 -3.065 17.814 -6.145 1.00 0.00 N ATOM 885 CA CYS A 64 -3.529 16.415 -5.919 1.00 0.00 C ATOM 886 C CYS A 64 -4.006 16.251 -4.479 1.00 0.00 C ATOM 887 O CYS A 64 -3.238 16.406 -3.549 1.00 0.00 O ATOM 888 CB CYS A 64 -2.408 15.418 -6.213 1.00 0.00 C ATOM 889 SG CYS A 64 -2.935 13.754 -5.733 1.00 0.00 S ATOM 0 H CYS A 64 -2.154 18.046 -5.750 1.00 0.00 H new ATOM 0 HA CYS A 64 -4.357 16.213 -6.598 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.157 15.439 -7.274 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -1.507 15.697 -5.667 1.00 0.00 H new ATOM 894 N PRO A 65 -5.270 15.941 -4.342 1.00 0.00 N ATOM 895 CA PRO A 65 -5.897 15.750 -3.031 1.00 0.00 C ATOM 896 C PRO A 65 -5.550 14.369 -2.463 1.00 0.00 C ATOM 897 O PRO A 65 -4.599 13.738 -2.878 1.00 0.00 O ATOM 898 CB PRO A 65 -7.390 15.851 -3.337 1.00 0.00 C ATOM 899 CG PRO A 65 -7.564 15.541 -4.838 1.00 0.00 C ATOM 900 CD PRO A 65 -6.192 15.756 -5.486 1.00 0.00 C ATOM 0 HA PRO A 65 -5.565 16.474 -2.287 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -7.957 15.146 -2.729 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -7.765 16.847 -3.103 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -7.907 14.517 -4.986 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -8.312 16.196 -5.286 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -5.902 14.900 -6.096 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -6.194 16.628 -6.140 1.00 0.00 H new ATOM 908 N ARG A 66 -6.316 13.900 -1.516 1.00 0.00 N ATOM 909 CA ARG A 66 -6.034 12.563 -0.920 1.00 0.00 C ATOM 910 C ARG A 66 -7.354 11.873 -0.571 1.00 0.00 C ATOM 911 O ARG A 66 -8.306 12.505 -0.157 1.00 0.00 O ATOM 912 CB ARG A 66 -5.199 12.736 0.350 1.00 0.00 C ATOM 913 CG ARG A 66 -5.800 13.853 1.206 1.00 0.00 C ATOM 914 CD ARG A 66 -5.511 13.577 2.683 1.00 0.00 C ATOM 915 NE ARG A 66 -5.839 14.787 3.488 1.00 0.00 N ATOM 916 CZ ARG A 66 -4.881 15.490 4.028 1.00 0.00 C ATOM 917 NH1 ARG A 66 -4.321 16.458 3.354 1.00 0.00 N ATOM 918 NH2 ARG A 66 -4.482 15.225 5.242 1.00 0.00 N ATOM 0 H ARG A 66 -7.125 14.385 -1.129 1.00 0.00 H new ATOM 0 HA ARG A 66 -5.483 11.954 -1.637 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.177 11.803 0.913 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -4.168 12.976 0.091 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.378 14.815 0.916 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.876 13.914 1.040 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.101 12.727 3.027 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -4.462 13.312 2.816 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.812 15.066 3.617 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.632 16.665 2.405 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.572 17.007 3.777 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.919 14.469 5.769 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.733 15.774 5.664 1.00 0.00 H new ATOM 932 N TYR A 67 -7.419 10.579 -0.734 1.00 0.00 N ATOM 933 CA TYR A 67 -8.678 9.853 -0.409 1.00 0.00 C ATOM 934 C TYR A 67 -8.638 9.385 1.047 1.00 0.00 C ATOM 935 O TYR A 67 -9.516 8.684 1.509 1.00 0.00 O ATOM 936 CB TYR A 67 -8.817 8.639 -1.330 1.00 0.00 C ATOM 937 CG TYR A 67 -10.087 8.761 -2.136 1.00 0.00 C ATOM 938 CD1 TYR A 67 -10.084 9.465 -3.345 1.00 0.00 C ATOM 939 CD2 TYR A 67 -11.269 8.170 -1.672 1.00 0.00 C ATOM 940 CE1 TYR A 67 -11.263 9.578 -4.092 1.00 0.00 C ATOM 941 CE2 TYR A 67 -12.447 8.281 -2.419 1.00 0.00 C ATOM 942 CZ TYR A 67 -12.444 8.986 -3.630 1.00 0.00 C ATOM 943 OH TYR A 67 -13.605 9.096 -4.367 1.00 0.00 O ATOM 0 H TYR A 67 -6.656 9.995 -1.077 1.00 0.00 H new ATOM 0 HA TYR A 67 -9.529 10.519 -0.552 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -7.956 8.574 -1.996 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -8.834 7.722 -0.741 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -9.173 9.921 -3.702 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -11.271 7.629 -0.738 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -11.261 10.122 -5.025 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.358 7.824 -2.062 1.00 0.00 H new ATOM 0 HH TYR A 67 -14.331 8.627 -3.905 1.00 0.00 H new ATOM 953 N HIS A 68 -7.625 9.767 1.776 1.00 0.00 N ATOM 954 CA HIS A 68 -7.532 9.342 3.201 1.00 0.00 C ATOM 955 C HIS A 68 -6.695 10.358 3.983 1.00 0.00 C ATOM 956 O HIS A 68 -5.552 10.050 4.282 1.00 0.00 O ATOM 957 CB HIS A 68 -6.869 7.966 3.281 1.00 0.00 C ATOM 958 CG HIS A 68 -7.837 6.976 3.868 1.00 0.00 C ATOM 959 ND1 HIS A 68 -8.785 7.339 4.812 1.00 0.00 N ATOM 960 CD2 HIS A 68 -8.017 5.631 3.654 1.00 0.00 C ATOM 961 CE1 HIS A 68 -9.486 6.235 5.128 1.00 0.00 C ATOM 962 NE2 HIS A 68 -9.059 5.167 4.450 1.00 0.00 N ATOM 963 OXT HIS A 68 -7.211 11.426 4.268 1.00 0.00 O ATOM 0 H HIS A 68 -6.859 10.354 1.447 1.00 0.00 H new ATOM 0 HA HIS A 68 -8.533 9.288 3.630 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -6.558 7.642 2.288 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -5.970 8.019 3.895 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -7.438 5.026 2.972 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -10.295 6.215 5.843 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -9.420 4.214 4.504 1.00 0.00 H new TER 971 HIS A 68