USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 600 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 43 LYS NZ :NH3+ -136:sc= 0.0825 (180deg=0) USER MOD Set 1.2: A 45 THR OG1 : rot 11:sc= -1.55 USER MOD Single : A 12 THR OG1 : rot -119:sc= 0.578! USER MOD Single : A 13 GLN : amide:sc= -0.981 K(o=-0.98,f=-0.15) USER MOD Single : A 14 ASN : amide:sc= -4.47! C(o=-4.5!,f=-4.1!) USER MOD Single : A 17 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.276) USER MOD Single : A 24 ASN : amide:sc= -0.464 K(o=-0.46,f=-2.4!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 33 THR OG1 : rot -150:sc= -4.57! USER MOD Single : A 35 ASN : amide:sc= -0.0135 X(o=-0.013,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 49:sc= -12.6! USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 142:sc= -0.0552 (180deg=-0.717) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 30:sc= 0.416 USER MOD Single : A 59 GLN : amide:sc= -0.342 K(o=-0.34,f=-2.3!) USER MOD Single : A 61 TYR OH : rot 180:sc= -3.46! USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -60:sc= 0.824 USER MOD Single : A 67 LYS NZ :NH3+ -159:sc= -6.84! (180deg=-9.45!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.916 K(o=-0.92,f=0.041) USER MOD ----------------------------------------------------------------- ATOM 10 N GLU A 2 -9.666 8.205 -5.424 1.00 0.00 N ATOM 11 CA GLU A 2 -8.597 9.193 -5.758 1.00 0.00 C ATOM 12 C GLU A 2 -7.223 8.654 -5.345 1.00 0.00 C ATOM 13 O GLU A 2 -7.096 7.918 -4.386 1.00 0.00 O ATOM 14 CB GLU A 2 -8.943 10.447 -4.953 1.00 0.00 C ATOM 15 CG GLU A 2 -9.368 10.052 -3.536 1.00 0.00 C ATOM 16 CD GLU A 2 -8.762 11.031 -2.530 1.00 0.00 C ATOM 17 OE1 GLU A 2 -7.622 11.420 -2.722 1.00 0.00 O ATOM 18 OE2 GLU A 2 -9.450 11.376 -1.582 1.00 0.00 O ATOM 0 HA GLU A 2 -8.549 9.396 -6.828 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.081 11.113 -4.912 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -9.747 10.995 -5.444 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -10.455 10.058 -3.456 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -9.038 9.037 -3.316 1.00 0.00 H new ATOM 25 N TRP A 3 -6.193 9.016 -6.065 1.00 0.00 N ATOM 26 CA TRP A 3 -4.828 8.526 -5.719 1.00 0.00 C ATOM 27 C TRP A 3 -4.381 9.103 -4.366 1.00 0.00 C ATOM 28 O TRP A 3 -5.126 9.794 -3.701 1.00 0.00 O ATOM 29 CB TRP A 3 -3.931 9.013 -6.872 1.00 0.00 C ATOM 30 CG TRP A 3 -3.292 10.330 -6.536 1.00 0.00 C ATOM 31 CD1 TRP A 3 -1.979 10.502 -6.258 1.00 0.00 C ATOM 32 CD2 TRP A 3 -3.908 11.650 -6.438 1.00 0.00 C ATOM 33 NE1 TRP A 3 -1.748 11.840 -5.996 1.00 0.00 N ATOM 34 CE2 TRP A 3 -2.905 12.588 -6.094 1.00 0.00 C ATOM 35 CE3 TRP A 3 -5.223 12.120 -6.611 1.00 0.00 C ATOM 36 CZ2 TRP A 3 -3.196 13.942 -5.928 1.00 0.00 C ATOM 37 CZ3 TRP A 3 -5.518 13.483 -6.445 1.00 0.00 C ATOM 38 CH2 TRP A 3 -4.507 14.392 -6.104 1.00 0.00 C ATOM 0 H TRP A 3 -6.239 9.630 -6.878 1.00 0.00 H new ATOM 0 HA TRP A 3 -4.783 7.442 -5.612 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -3.159 8.271 -7.075 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -4.524 9.113 -7.781 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -1.233 9.721 -6.243 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -0.835 12.227 -5.759 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -6.010 11.428 -6.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -2.413 14.638 -5.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -6.531 13.833 -6.581 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -4.741 15.439 -5.977 1.00 0.00 H new ATOM 49 N GLU A 4 -3.172 8.822 -3.954 1.00 0.00 N ATOM 50 CA GLU A 4 -2.692 9.357 -2.646 1.00 0.00 C ATOM 51 C GLU A 4 -1.305 8.802 -2.303 1.00 0.00 C ATOM 52 O GLU A 4 -1.153 7.641 -1.990 1.00 0.00 O ATOM 53 CB GLU A 4 -3.722 8.872 -1.628 1.00 0.00 C ATOM 54 CG GLU A 4 -4.403 10.077 -0.984 1.00 0.00 C ATOM 55 CD GLU A 4 -5.688 9.628 -0.286 1.00 0.00 C ATOM 56 OE1 GLU A 4 -6.222 8.602 -0.676 1.00 0.00 O ATOM 57 OE2 GLU A 4 -6.116 10.317 0.625 1.00 0.00 O ATOM 0 H GLU A 4 -2.500 8.248 -4.464 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.597 10.443 -2.661 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.463 8.240 -2.117 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.237 8.263 -0.865 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.731 10.546 -0.265 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.632 10.826 -1.742 1.00 0.00 H new ATOM 64 N ILE A 5 -0.290 9.624 -2.352 1.00 0.00 N ATOM 65 CA ILE A 5 1.075 9.144 -2.024 1.00 0.00 C ATOM 66 C ILE A 5 1.348 9.300 -0.524 1.00 0.00 C ATOM 67 O ILE A 5 0.606 9.954 0.183 1.00 0.00 O ATOM 68 CB ILE A 5 1.990 10.055 -2.833 1.00 0.00 C ATOM 69 CG1 ILE A 5 1.712 11.514 -2.465 1.00 0.00 C ATOM 70 CG2 ILE A 5 1.732 9.847 -4.326 1.00 0.00 C ATOM 71 CD1 ILE A 5 2.966 12.132 -1.845 1.00 0.00 C ATOM 0 H ILE A 5 -0.353 10.610 -2.606 1.00 0.00 H new ATOM 0 HA ILE A 5 1.221 8.089 -2.258 1.00 0.00 H new ATOM 0 HB ILE A 5 3.029 9.815 -2.609 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.418 12.074 -3.353 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.880 11.571 -1.763 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.387 10.500 -4.903 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.932 8.808 -4.588 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.693 10.085 -4.552 1.00 0.00 H new ATOM 0 HD11 ILE A 5 2.768 13.171 -1.583 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.239 11.577 -0.947 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.786 12.089 -2.562 1.00 0.00 H new ATOM 83 N ILE A 6 2.404 8.708 -0.027 1.00 0.00 N ATOM 84 CA ILE A 6 2.703 8.839 1.434 1.00 0.00 C ATOM 85 C ILE A 6 4.017 9.603 1.652 1.00 0.00 C ATOM 86 O ILE A 6 4.472 10.322 0.785 1.00 0.00 O ATOM 87 CB ILE A 6 2.796 7.406 1.967 1.00 0.00 C ATOM 88 CG1 ILE A 6 3.482 6.500 0.942 1.00 0.00 C ATOM 89 CG2 ILE A 6 1.384 6.884 2.235 1.00 0.00 C ATOM 90 CD1 ILE A 6 4.857 7.070 0.593 1.00 0.00 C ATOM 0 H ILE A 6 3.066 8.145 -0.561 1.00 0.00 H new ATOM 0 HA ILE A 6 1.932 9.404 1.957 1.00 0.00 H new ATOM 0 HB ILE A 6 3.381 7.404 2.887 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.586 5.492 1.344 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.870 6.423 0.043 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.439 5.864 2.615 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.895 7.520 2.973 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.810 6.895 1.309 1.00 0.00 H new ATOM 0 HD11 ILE A 6 5.344 6.424 -0.137 1.00 0.00 H new ATOM 0 HD12 ILE A 6 4.741 8.069 0.173 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.468 7.124 1.494 1.00 0.00 H new ATOM 102 N ASP A 7 4.624 9.477 2.809 1.00 0.00 N ATOM 103 CA ASP A 7 5.892 10.228 3.060 1.00 0.00 C ATOM 104 C ASP A 7 6.961 9.351 3.728 1.00 0.00 C ATOM 105 O ASP A 7 7.521 9.713 4.742 1.00 0.00 O ATOM 106 CB ASP A 7 5.490 11.373 3.989 1.00 0.00 C ATOM 107 CG ASP A 7 6.593 12.433 4.001 1.00 0.00 C ATOM 108 OD1 ASP A 7 7.529 12.293 3.232 1.00 0.00 O ATOM 109 OD2 ASP A 7 6.482 13.366 4.778 1.00 0.00 O ATOM 0 H ASP A 7 4.300 8.894 3.581 1.00 0.00 H new ATOM 0 HA ASP A 7 6.335 10.574 2.126 1.00 0.00 H new ATOM 0 HB2 ASP A 7 4.551 11.814 3.654 1.00 0.00 H new ATOM 0 HB3 ASP A 7 5.323 10.995 4.998 1.00 0.00 H new ATOM 114 N ILE A 8 7.252 8.212 3.159 1.00 0.00 N ATOM 115 CA ILE A 8 8.296 7.311 3.734 1.00 0.00 C ATOM 116 C ILE A 8 8.202 7.295 5.249 1.00 0.00 C ATOM 117 O ILE A 8 9.184 7.383 5.959 1.00 0.00 O ATOM 118 CB ILE A 8 9.627 7.889 3.264 1.00 0.00 C ATOM 119 CG1 ILE A 8 9.882 9.236 3.943 1.00 0.00 C ATOM 120 CG2 ILE A 8 9.570 8.085 1.751 1.00 0.00 C ATOM 121 CD1 ILE A 8 11.332 9.660 3.705 1.00 0.00 C ATOM 0 H ILE A 8 6.806 7.863 2.311 1.00 0.00 H new ATOM 0 HA ILE A 8 8.177 6.277 3.409 1.00 0.00 H new ATOM 0 HB ILE A 8 10.435 7.205 3.524 1.00 0.00 H new ATOM 0 HG12 ILE A 8 9.202 9.990 3.547 1.00 0.00 H new ATOM 0 HG13 ILE A 8 9.685 9.159 5.012 1.00 0.00 H new ATOM 0 HG21 ILE A 8 10.516 8.498 1.402 1.00 0.00 H new ATOM 0 HG22 ILE A 8 9.392 7.125 1.266 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.761 8.772 1.503 1.00 0.00 H new ATOM 0 HD11 ILE A 8 11.514 10.620 4.188 1.00 0.00 H new ATOM 0 HD12 ILE A 8 12.004 8.910 4.122 1.00 0.00 H new ATOM 0 HD13 ILE A 8 11.513 9.753 2.634 1.00 0.00 H new ATOM 133 N GLY A 9 7.015 7.161 5.739 1.00 0.00 N ATOM 134 CA GLY A 9 6.817 7.116 7.217 1.00 0.00 C ATOM 135 C GLY A 9 5.869 5.969 7.606 1.00 0.00 C ATOM 136 O GLY A 9 6.274 5.000 8.225 1.00 0.00 O ATOM 0 H GLY A 9 6.163 7.079 5.185 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.778 6.984 7.713 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.408 8.065 7.563 1.00 0.00 H new ATOM 140 N PRO A 10 4.628 6.133 7.246 1.00 0.00 N ATOM 141 CA PRO A 10 3.593 5.131 7.584 1.00 0.00 C ATOM 142 C PRO A 10 3.647 3.935 6.633 1.00 0.00 C ATOM 143 O PRO A 10 3.912 2.821 7.041 1.00 0.00 O ATOM 144 CB PRO A 10 2.288 5.903 7.419 1.00 0.00 C ATOM 145 CG PRO A 10 2.594 7.010 6.457 1.00 0.00 C ATOM 146 CD PRO A 10 4.084 7.254 6.485 1.00 0.00 C ATOM 0 HA PRO A 10 3.719 4.713 8.583 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.497 5.258 7.036 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.943 6.298 8.374 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.271 6.741 5.451 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.054 7.916 6.734 1.00 0.00 H new ATOM 0 HD2 PRO A 10 4.499 7.287 5.478 1.00 0.00 H new ATOM 0 HD3 PRO A 10 4.321 8.207 6.959 1.00 0.00 H new ATOM 154 N PHE A 11 3.394 4.146 5.372 1.00 0.00 N ATOM 155 CA PHE A 11 3.429 3.003 4.420 1.00 0.00 C ATOM 156 C PHE A 11 4.702 2.193 4.654 1.00 0.00 C ATOM 157 O PHE A 11 4.700 0.979 4.589 1.00 0.00 O ATOM 158 CB PHE A 11 3.399 3.632 3.033 1.00 0.00 C ATOM 159 CG PHE A 11 1.960 3.898 2.660 1.00 0.00 C ATOM 160 CD1 PHE A 11 1.085 4.459 3.602 1.00 0.00 C ATOM 161 CD2 PHE A 11 1.497 3.583 1.379 1.00 0.00 C ATOM 162 CE1 PHE A 11 -0.248 4.703 3.260 1.00 0.00 C ATOM 163 CE2 PHE A 11 0.163 3.828 1.039 1.00 0.00 C ATOM 164 CZ PHE A 11 -0.710 4.388 1.980 1.00 0.00 C ATOM 0 H PHE A 11 3.166 5.052 4.962 1.00 0.00 H new ATOM 0 HA PHE A 11 2.593 2.315 4.544 1.00 0.00 H new ATOM 0 HB2 PHE A 11 3.970 4.560 3.025 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.863 2.966 2.305 1.00 0.00 H new ATOM 0 HD1 PHE A 11 1.442 4.702 4.592 1.00 0.00 H new ATOM 0 HD2 PHE A 11 2.169 3.151 0.653 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -0.921 5.135 3.986 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -0.195 3.585 0.049 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.740 4.576 1.716 1.00 0.00 H new ATOM 174 N THR A 12 5.777 2.853 4.977 1.00 0.00 N ATOM 175 CA THR A 12 7.034 2.121 5.273 1.00 0.00 C ATOM 176 C THR A 12 6.700 1.073 6.316 1.00 0.00 C ATOM 177 O THR A 12 6.883 -0.117 6.133 1.00 0.00 O ATOM 178 CB THR A 12 7.994 3.161 5.879 1.00 0.00 C ATOM 179 OG1 THR A 12 7.770 3.271 7.279 1.00 0.00 O ATOM 180 CG2 THR A 12 7.784 4.531 5.243 1.00 0.00 C ATOM 0 H THR A 12 5.838 3.869 5.048 1.00 0.00 H new ATOM 0 HA THR A 12 7.475 1.647 4.396 1.00 0.00 H new ATOM 0 HB THR A 12 9.014 2.828 5.686 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.492 4.186 7.495 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.474 5.248 5.688 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.969 4.467 4.171 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.759 4.859 5.415 1.00 0.00 H new ATOM 188 N GLN A 13 6.191 1.540 7.410 1.00 0.00 N ATOM 189 CA GLN A 13 5.801 0.621 8.519 1.00 0.00 C ATOM 190 C GLN A 13 4.656 -0.288 8.069 1.00 0.00 C ATOM 191 O GLN A 13 4.366 -1.298 8.680 1.00 0.00 O ATOM 192 CB GLN A 13 5.347 1.537 9.655 1.00 0.00 C ATOM 193 CG GLN A 13 5.936 1.045 10.979 1.00 0.00 C ATOM 194 CD GLN A 13 4.888 1.179 12.086 1.00 0.00 C ATOM 195 OE1 GLN A 13 4.915 0.447 13.055 1.00 0.00 O ATOM 196 NE2 GLN A 13 3.960 2.091 11.981 1.00 0.00 N ATOM 0 H GLN A 13 6.023 2.529 7.593 1.00 0.00 H new ATOM 0 HA GLN A 13 6.621 -0.028 8.826 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.668 2.560 9.461 1.00 0.00 H new ATOM 0 HB3 GLN A 13 4.259 1.550 9.712 1.00 0.00 H new ATOM 0 HG2 GLN A 13 6.250 0.006 10.885 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.824 1.625 11.232 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.938 2.705 11.167 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.257 2.190 12.713 1.00 0.00 H new ATOM 205 N ASN A 14 4.009 0.067 6.997 1.00 0.00 N ATOM 206 CA ASN A 14 2.882 -0.766 6.485 1.00 0.00 C ATOM 207 C ASN A 14 3.416 -1.916 5.645 1.00 0.00 C ATOM 208 O ASN A 14 3.331 -3.069 6.021 1.00 0.00 O ATOM 209 CB ASN A 14 2.042 0.178 5.625 1.00 0.00 C ATOM 210 CG ASN A 14 1.528 1.345 6.477 1.00 0.00 C ATOM 211 OD1 ASN A 14 1.000 2.304 5.952 1.00 0.00 O ATOM 212 ND2 ASN A 14 1.654 1.305 7.777 1.00 0.00 N ATOM 0 H ASN A 14 4.211 0.903 6.448 1.00 0.00 H new ATOM 0 HA ASN A 14 2.298 -1.206 7.294 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.640 0.557 4.796 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.202 -0.363 5.190 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.309 2.078 8.347 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.097 0.501 8.222 1.00 0.00 H new ATOM 219 N LEU A 15 3.965 -1.604 4.512 1.00 0.00 N ATOM 220 CA LEU A 15 4.518 -2.669 3.630 1.00 0.00 C ATOM 221 C LEU A 15 5.246 -3.707 4.481 1.00 0.00 C ATOM 222 O LEU A 15 5.318 -4.868 4.136 1.00 0.00 O ATOM 223 CB LEU A 15 5.493 -1.950 2.695 1.00 0.00 C ATOM 224 CG LEU A 15 6.762 -1.578 3.463 1.00 0.00 C ATOM 225 CD1 LEU A 15 7.764 -2.731 3.387 1.00 0.00 C ATOM 226 CD2 LEU A 15 7.382 -0.325 2.841 1.00 0.00 C ATOM 0 H LEU A 15 4.057 -0.654 4.153 1.00 0.00 H new ATOM 0 HA LEU A 15 3.745 -3.195 3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.742 -2.592 1.850 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.027 -1.053 2.287 1.00 0.00 H new ATOM 0 HG LEU A 15 6.511 -1.384 4.506 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.668 -2.464 3.935 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.323 -3.626 3.827 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.016 -2.926 2.345 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.287 -0.058 3.387 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.632 -0.522 1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.670 0.498 2.894 1.00 0.00 H new ATOM 238 N GLY A 16 5.776 -3.301 5.599 1.00 0.00 N ATOM 239 CA GLY A 16 6.484 -4.269 6.478 1.00 0.00 C ATOM 240 C GLY A 16 5.459 -5.200 7.129 1.00 0.00 C ATOM 241 O GLY A 16 5.568 -6.408 7.052 1.00 0.00 O ATOM 0 H GLY A 16 5.749 -2.341 5.942 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.202 -4.848 5.897 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.049 -3.737 7.244 1.00 0.00 H new ATOM 245 N LYS A 17 4.461 -4.647 7.771 1.00 0.00 N ATOM 246 CA LYS A 17 3.428 -5.500 8.433 1.00 0.00 C ATOM 247 C LYS A 17 2.461 -6.080 7.403 1.00 0.00 C ATOM 248 O LYS A 17 2.088 -7.236 7.457 1.00 0.00 O ATOM 249 CB LYS A 17 2.693 -4.558 9.386 1.00 0.00 C ATOM 250 CG LYS A 17 3.103 -4.866 10.828 1.00 0.00 C ATOM 251 CD LYS A 17 4.256 -3.949 11.237 1.00 0.00 C ATOM 252 CE LYS A 17 4.189 -3.686 12.743 1.00 0.00 C ATOM 253 NZ LYS A 17 4.456 -5.008 13.375 1.00 0.00 N ATOM 0 H LYS A 17 4.317 -3.642 7.865 1.00 0.00 H new ATOM 0 HA LYS A 17 3.873 -6.349 8.952 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.929 -3.522 9.143 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.615 -4.675 9.270 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.255 -4.722 11.497 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.405 -5.910 10.916 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.210 -4.409 10.980 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.198 -3.008 10.690 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.929 -2.946 13.048 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.212 -3.299 13.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.745 -4.868 14.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.593 -5.588 13.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.217 -5.493 12.858 1.00 0.00 H new ATOM 267 N PHE A 18 2.054 -5.283 6.470 1.00 0.00 N ATOM 268 CA PHE A 18 1.107 -5.774 5.425 1.00 0.00 C ATOM 269 C PHE A 18 1.763 -6.870 4.600 1.00 0.00 C ATOM 270 O PHE A 18 1.348 -8.012 4.612 1.00 0.00 O ATOM 271 CB PHE A 18 0.802 -4.552 4.558 1.00 0.00 C ATOM 272 CG PHE A 18 -0.431 -3.858 5.083 1.00 0.00 C ATOM 273 CD1 PHE A 18 -1.702 -4.297 4.694 1.00 0.00 C ATOM 274 CD2 PHE A 18 -0.303 -2.773 5.960 1.00 0.00 C ATOM 275 CE1 PHE A 18 -2.845 -3.653 5.181 1.00 0.00 C ATOM 276 CE2 PHE A 18 -1.446 -2.129 6.447 1.00 0.00 C ATOM 277 CZ PHE A 18 -2.716 -2.568 6.059 1.00 0.00 C ATOM 0 H PHE A 18 2.333 -4.306 6.378 1.00 0.00 H new ATOM 0 HA PHE A 18 0.200 -6.200 5.854 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.649 -3.866 4.566 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.648 -4.856 3.523 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.801 -5.133 4.018 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.677 -2.434 6.260 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.826 -3.992 4.881 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.347 -1.292 7.123 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.598 -2.071 6.436 1.00 0.00 H new ATOM 287 N ALA A 19 2.784 -6.528 3.887 1.00 0.00 N ATOM 288 CA ALA A 19 3.483 -7.542 3.051 1.00 0.00 C ATOM 289 C ALA A 19 3.681 -8.833 3.847 1.00 0.00 C ATOM 290 O ALA A 19 3.109 -9.852 3.533 1.00 0.00 O ATOM 291 CB ALA A 19 4.832 -6.919 2.702 1.00 0.00 C ATOM 0 H ALA A 19 3.173 -5.586 3.842 1.00 0.00 H new ATOM 0 HA ALA A 19 2.914 -7.799 2.158 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.404 -7.612 2.085 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.673 -5.991 2.153 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.384 -6.709 3.618 1.00 0.00 H new ATOM 297 N VAL A 20 4.482 -8.802 4.881 1.00 0.00 N ATOM 298 CA VAL A 20 4.702 -10.032 5.679 1.00 0.00 C ATOM 299 C VAL A 20 3.375 -10.765 5.895 1.00 0.00 C ATOM 300 O VAL A 20 3.340 -11.968 6.062 1.00 0.00 O ATOM 301 CB VAL A 20 5.270 -9.535 7.003 1.00 0.00 C ATOM 302 CG1 VAL A 20 6.617 -8.845 6.774 1.00 0.00 C ATOM 303 CG2 VAL A 20 4.289 -8.551 7.639 1.00 0.00 C ATOM 0 H VAL A 20 4.989 -7.977 5.202 1.00 0.00 H new ATOM 0 HA VAL A 20 5.372 -10.738 5.187 1.00 0.00 H new ATOM 0 HB VAL A 20 5.419 -10.385 7.669 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.013 -8.494 7.727 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.317 -9.552 6.329 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.482 -7.997 6.103 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.694 -8.195 8.586 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.136 -7.705 6.969 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.336 -9.050 7.817 1.00 0.00 H new ATOM 313 N ASP A 21 2.281 -10.051 5.881 1.00 0.00 N ATOM 314 CA ASP A 21 0.960 -10.715 6.072 1.00 0.00 C ATOM 315 C ASP A 21 0.334 -11.035 4.718 1.00 0.00 C ATOM 316 O ASP A 21 0.239 -12.182 4.335 1.00 0.00 O ATOM 317 CB ASP A 21 0.108 -9.706 6.843 1.00 0.00 C ATOM 318 CG ASP A 21 -0.765 -10.447 7.858 1.00 0.00 C ATOM 319 OD1 ASP A 21 -1.825 -10.911 7.470 1.00 0.00 O ATOM 320 OD2 ASP A 21 -0.358 -10.540 9.004 1.00 0.00 O ATOM 0 H ASP A 21 2.245 -9.041 5.746 1.00 0.00 H new ATOM 0 HA ASP A 21 1.046 -11.659 6.611 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.749 -8.988 7.354 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.518 -9.140 6.153 1.00 0.00 H new ATOM 325 N GLU A 22 -0.092 -10.049 3.980 1.00 0.00 N ATOM 326 CA GLU A 22 -0.697 -10.362 2.656 1.00 0.00 C ATOM 327 C GLU A 22 0.290 -11.184 1.834 1.00 0.00 C ATOM 328 O GLU A 22 -0.091 -12.077 1.113 1.00 0.00 O ATOM 329 CB GLU A 22 -1.010 -9.013 1.999 1.00 0.00 C ATOM 330 CG GLU A 22 -2.028 -8.256 2.856 1.00 0.00 C ATOM 331 CD GLU A 22 -3.198 -9.182 3.195 1.00 0.00 C ATOM 332 OE1 GLU A 22 -4.048 -9.367 2.339 1.00 0.00 O ATOM 333 OE2 GLU A 22 -3.225 -9.687 4.305 1.00 0.00 O ATOM 0 H GLU A 22 -0.050 -9.061 4.228 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.609 -10.954 2.740 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.097 -8.426 1.895 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.406 -9.168 0.995 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.555 -7.900 3.771 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.389 -7.378 2.321 1.00 0.00 H new ATOM 340 N GLU A 23 1.555 -10.921 1.971 1.00 0.00 N ATOM 341 CA GLU A 23 2.561 -11.725 1.223 1.00 0.00 C ATOM 342 C GLU A 23 2.582 -13.127 1.814 1.00 0.00 C ATOM 343 O GLU A 23 2.289 -14.096 1.146 1.00 0.00 O ATOM 344 CB GLU A 23 3.905 -11.024 1.430 1.00 0.00 C ATOM 345 CG GLU A 23 4.922 -11.561 0.423 1.00 0.00 C ATOM 346 CD GLU A 23 6.044 -12.290 1.168 1.00 0.00 C ATOM 347 OE1 GLU A 23 5.790 -13.375 1.666 1.00 0.00 O ATOM 348 OE2 GLU A 23 7.135 -11.750 1.229 1.00 0.00 O ATOM 0 H GLU A 23 1.938 -10.187 2.566 1.00 0.00 H new ATOM 0 HA GLU A 23 2.336 -11.804 0.159 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.788 -9.947 1.306 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.261 -11.191 2.447 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.434 -12.241 -0.276 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.335 -10.741 -0.165 1.00 0.00 H new ATOM 355 N ASN A 24 2.883 -13.250 3.075 1.00 0.00 N ATOM 356 CA ASN A 24 2.859 -14.606 3.679 1.00 0.00 C ATOM 357 C ASN A 24 1.512 -15.226 3.337 1.00 0.00 C ATOM 358 O ASN A 24 1.423 -16.357 2.899 1.00 0.00 O ATOM 359 CB ASN A 24 3.006 -14.392 5.187 1.00 0.00 C ATOM 360 CG ASN A 24 3.028 -15.748 5.896 1.00 0.00 C ATOM 361 OD1 ASN A 24 2.834 -16.775 5.276 1.00 0.00 O ATOM 362 ND2 ASN A 24 3.255 -15.795 7.180 1.00 0.00 N ATOM 0 H ASN A 24 3.139 -12.487 3.701 1.00 0.00 H new ATOM 0 HA ASN A 24 3.648 -15.265 3.318 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.924 -13.844 5.399 1.00 0.00 H new ATOM 0 HB3 ASN A 24 2.180 -13.787 5.561 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.270 -16.693 7.663 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.418 -14.933 7.701 1.00 0.00 H new ATOM 369 N LYS A 25 0.461 -14.469 3.495 1.00 0.00 N ATOM 370 CA LYS A 25 -0.883 -14.991 3.136 1.00 0.00 C ATOM 371 C LYS A 25 -0.880 -15.399 1.666 1.00 0.00 C ATOM 372 O LYS A 25 -1.199 -16.518 1.317 1.00 0.00 O ATOM 373 CB LYS A 25 -1.845 -13.826 3.375 1.00 0.00 C ATOM 374 CG LYS A 25 -3.285 -14.306 3.183 1.00 0.00 C ATOM 375 CD LYS A 25 -3.800 -13.840 1.820 1.00 0.00 C ATOM 376 CE LYS A 25 -4.459 -15.014 1.094 1.00 0.00 C ATOM 377 NZ LYS A 25 -5.841 -15.080 1.648 1.00 0.00 N ATOM 0 H LYS A 25 0.477 -13.515 3.856 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.170 -15.865 3.721 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.713 -13.432 4.383 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.626 -13.012 2.684 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.329 -15.393 3.248 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.920 -13.913 3.977 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.517 -13.029 1.948 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.977 -13.446 1.224 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.473 -14.854 0.016 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.917 -15.943 1.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.358 -15.862 1.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.796 -15.239 2.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.334 -14.184 1.458 1.00 0.00 H new ATOM 391 N ILE A 26 -0.507 -14.498 0.805 1.00 0.00 N ATOM 392 CA ILE A 26 -0.467 -14.835 -0.652 1.00 0.00 C ATOM 393 C ILE A 26 0.448 -16.042 -0.876 1.00 0.00 C ATOM 394 O ILE A 26 0.381 -16.711 -1.888 1.00 0.00 O ATOM 395 CB ILE A 26 0.061 -13.576 -1.378 1.00 0.00 C ATOM 396 CG1 ILE A 26 -0.604 -13.468 -2.753 1.00 0.00 C ATOM 397 CG2 ILE A 26 1.584 -13.637 -1.570 1.00 0.00 C ATOM 398 CD1 ILE A 26 -0.581 -14.832 -3.447 1.00 0.00 C ATOM 0 H ILE A 26 -0.228 -13.545 1.040 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.450 -15.106 -1.038 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.178 -12.707 -0.764 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.632 -13.122 -2.644 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.082 -12.730 -3.363 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.922 -12.737 -2.083 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.071 -13.705 -0.597 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.841 -14.513 -2.166 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.055 -14.751 -4.425 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.451 -15.160 -3.570 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.123 -15.558 -2.841 1.00 0.00 H new ATOM 410 N GLY A 27 1.302 -16.322 0.070 1.00 0.00 N ATOM 411 CA GLY A 27 2.224 -17.484 -0.074 1.00 0.00 C ATOM 412 C GLY A 27 3.462 -17.065 -0.870 1.00 0.00 C ATOM 413 O GLY A 27 3.647 -17.461 -2.003 1.00 0.00 O ATOM 0 H GLY A 27 1.401 -15.795 0.938 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.519 -17.850 0.909 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.715 -18.304 -0.580 1.00 0.00 H new ATOM 417 N GLN A 28 4.312 -16.266 -0.284 1.00 0.00 N ATOM 418 CA GLN A 28 5.539 -15.823 -1.007 1.00 0.00 C ATOM 419 C GLN A 28 6.784 -16.117 -0.164 1.00 0.00 C ATOM 420 O GLN A 28 7.527 -17.038 -0.437 1.00 0.00 O ATOM 421 CB GLN A 28 5.365 -14.318 -1.199 1.00 0.00 C ATOM 422 CG GLN A 28 5.453 -13.978 -2.688 1.00 0.00 C ATOM 423 CD GLN A 28 6.914 -13.743 -3.073 1.00 0.00 C ATOM 424 OE1 GLN A 28 7.464 -14.462 -3.882 1.00 0.00 O ATOM 425 NE2 GLN A 28 7.570 -12.758 -2.524 1.00 0.00 N ATOM 0 H GLN A 28 4.210 -15.901 0.663 1.00 0.00 H new ATOM 0 HA GLN A 28 5.668 -16.342 -1.957 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.403 -13.999 -0.799 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.135 -13.779 -0.646 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.036 -14.791 -3.283 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.861 -13.088 -2.904 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.108 -12.154 -1.844 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.545 -12.592 -2.774 1.00 0.00 H new ATOM 486 N LEU A 32 9.990 -11.291 7.174 1.00 0.00 N ATOM 487 CA LEU A 32 9.892 -9.813 7.162 1.00 0.00 C ATOM 488 C LEU A 32 9.911 -9.278 5.726 1.00 0.00 C ATOM 489 O LEU A 32 10.476 -9.880 4.835 1.00 0.00 O ATOM 490 CB LEU A 32 11.138 -9.364 7.917 1.00 0.00 C ATOM 491 CG LEU A 32 11.075 -9.855 9.366 1.00 0.00 C ATOM 492 CD1 LEU A 32 9.691 -9.570 9.949 1.00 0.00 C ATOM 493 CD2 LEU A 32 11.358 -11.358 9.443 1.00 0.00 C ATOM 0 HA LEU A 32 8.968 -9.448 7.609 1.00 0.00 H new ATOM 0 HB2 LEU A 32 12.030 -9.757 7.429 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.215 -8.277 7.895 1.00 0.00 H new ATOM 0 HG LEU A 32 11.834 -9.325 9.941 1.00 0.00 H new ATOM 0 HD11 LEU A 32 9.651 -9.921 10.980 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.499 -8.497 9.923 1.00 0.00 H new ATOM 0 HD13 LEU A 32 8.934 -10.088 9.360 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.308 -11.685 10.482 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.615 -11.899 8.856 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.352 -11.562 9.046 1.00 0.00 H new ATOM 505 N THR A 33 9.305 -8.144 5.500 1.00 0.00 N ATOM 506 CA THR A 33 9.292 -7.557 4.128 1.00 0.00 C ATOM 507 C THR A 33 9.534 -6.047 4.212 1.00 0.00 C ATOM 508 O THR A 33 8.801 -5.255 3.654 1.00 0.00 O ATOM 509 CB THR A 33 7.895 -7.852 3.578 1.00 0.00 C ATOM 510 OG1 THR A 33 7.309 -8.913 4.318 1.00 0.00 O ATOM 511 CG2 THR A 33 7.988 -8.255 2.105 1.00 0.00 C ATOM 0 H THR A 33 8.817 -7.596 6.209 1.00 0.00 H new ATOM 0 HA THR A 33 10.069 -7.973 3.488 1.00 0.00 H new ATOM 0 HB THR A 33 7.280 -6.956 3.668 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.696 -9.414 3.741 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.989 -8.463 1.721 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.434 -7.442 1.533 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.607 -9.147 2.010 1.00 0.00 H new ATOM 519 N PHE A 34 10.560 -5.650 4.913 1.00 0.00 N ATOM 520 CA PHE A 34 10.867 -4.195 5.051 1.00 0.00 C ATOM 521 C PHE A 34 12.309 -4.012 5.536 1.00 0.00 C ATOM 522 O PHE A 34 12.692 -4.526 6.568 1.00 0.00 O ATOM 523 CB PHE A 34 9.881 -3.682 6.101 1.00 0.00 C ATOM 524 CG PHE A 34 10.273 -4.208 7.461 1.00 0.00 C ATOM 525 CD1 PHE A 34 10.189 -5.579 7.732 1.00 0.00 C ATOM 526 CD2 PHE A 34 10.720 -3.325 8.452 1.00 0.00 C ATOM 527 CE1 PHE A 34 10.551 -6.068 8.992 1.00 0.00 C ATOM 528 CE2 PHE A 34 11.083 -3.814 9.712 1.00 0.00 C ATOM 529 CZ PHE A 34 10.999 -5.185 9.983 1.00 0.00 C ATOM 0 H PHE A 34 11.204 -6.274 5.400 1.00 0.00 H new ATOM 0 HA PHE A 34 10.773 -3.657 4.108 1.00 0.00 H new ATOM 0 HB2 PHE A 34 9.876 -2.592 6.109 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.869 -4.003 5.853 1.00 0.00 H new ATOM 0 HD1 PHE A 34 9.844 -6.260 6.968 1.00 0.00 H new ATOM 0 HD2 PHE A 34 10.785 -2.267 8.244 1.00 0.00 H new ATOM 0 HE1 PHE A 34 10.485 -7.126 9.200 1.00 0.00 H new ATOM 0 HE2 PHE A 34 11.428 -3.133 10.476 1.00 0.00 H new ATOM 0 HZ PHE A 34 11.279 -5.562 10.956 1.00 0.00 H new ATOM 539 N ASN A 35 13.116 -3.293 4.803 1.00 0.00 N ATOM 540 CA ASN A 35 14.529 -3.099 5.240 1.00 0.00 C ATOM 541 C ASN A 35 15.142 -1.843 4.605 1.00 0.00 C ATOM 542 O ASN A 35 15.590 -0.949 5.295 1.00 0.00 O ATOM 543 CB ASN A 35 15.264 -4.351 4.759 1.00 0.00 C ATOM 544 CG ASN A 35 16.599 -4.475 5.495 1.00 0.00 C ATOM 545 OD1 ASN A 35 17.649 -4.420 4.886 1.00 0.00 O ATOM 546 ND2 ASN A 35 16.605 -4.641 6.789 1.00 0.00 N ATOM 0 H ASN A 35 12.861 -2.835 3.928 1.00 0.00 H new ATOM 0 HA ASN A 35 14.600 -2.961 6.319 1.00 0.00 H new ATOM 0 HB2 ASN A 35 14.654 -5.236 4.940 1.00 0.00 H new ATOM 0 HB3 ASN A 35 15.434 -4.295 3.684 1.00 0.00 H new ATOM 0 HD21 ASN A 35 17.490 -4.724 7.288 1.00 0.00 H new ATOM 0 HD22 ASN A 35 15.724 -4.687 7.301 1.00 0.00 H new ATOM 553 N LYS A 36 15.192 -1.776 3.301 1.00 0.00 N ATOM 554 CA LYS A 36 15.806 -0.584 2.645 1.00 0.00 C ATOM 555 C LYS A 36 14.946 0.674 2.840 1.00 0.00 C ATOM 556 O LYS A 36 15.012 1.310 3.874 1.00 0.00 O ATOM 557 CB LYS A 36 15.928 -0.956 1.167 1.00 0.00 C ATOM 558 CG LYS A 36 17.340 -1.483 0.901 1.00 0.00 C ATOM 559 CD LYS A 36 18.296 -0.305 0.709 1.00 0.00 C ATOM 560 CE LYS A 36 18.558 -0.095 -0.784 1.00 0.00 C ATOM 561 NZ LYS A 36 19.814 0.704 -0.846 1.00 0.00 N ATOM 0 H LYS A 36 14.837 -2.490 2.665 1.00 0.00 H new ATOM 0 HA LYS A 36 16.775 -0.341 3.080 1.00 0.00 H new ATOM 0 HB2 LYS A 36 15.188 -1.713 0.907 1.00 0.00 H new ATOM 0 HB3 LYS A 36 15.727 -0.086 0.542 1.00 0.00 H new ATOM 0 HG2 LYS A 36 17.672 -2.102 1.735 1.00 0.00 H new ATOM 0 HG3 LYS A 36 17.342 -2.116 0.013 1.00 0.00 H new ATOM 0 HD2 LYS A 36 17.868 0.598 1.144 1.00 0.00 H new ATOM 0 HD3 LYS A 36 19.234 -0.496 1.230 1.00 0.00 H new ATOM 0 HE2 LYS A 36 18.670 -1.047 -1.303 1.00 0.00 H new ATOM 0 HE3 LYS A 36 17.731 0.432 -1.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 20.059 0.889 -1.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 19.676 1.607 -0.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 20.585 0.174 -0.392 1.00 0.00 H new ATOM 575 N VAL A 37 14.159 1.066 1.867 1.00 0.00 N ATOM 576 CA VAL A 37 13.347 2.311 2.044 1.00 0.00 C ATOM 577 C VAL A 37 12.174 2.370 1.053 1.00 0.00 C ATOM 578 O VAL A 37 12.046 1.550 0.166 1.00 0.00 O ATOM 579 CB VAL A 37 14.347 3.439 1.765 1.00 0.00 C ATOM 580 CG1 VAL A 37 13.615 4.712 1.327 1.00 0.00 C ATOM 581 CG2 VAL A 37 15.146 3.727 3.036 1.00 0.00 C ATOM 0 H VAL A 37 14.044 0.588 0.973 1.00 0.00 H new ATOM 0 HA VAL A 37 12.895 2.371 3.034 1.00 0.00 H new ATOM 0 HB VAL A 37 15.016 3.127 0.963 1.00 0.00 H new ATOM 0 HG11 VAL A 37 14.342 5.501 1.134 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.047 4.511 0.419 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.935 5.031 2.117 1.00 0.00 H new ATOM 0 HG21 VAL A 37 15.859 4.529 2.844 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.466 4.029 3.832 1.00 0.00 H new ATOM 0 HG23 VAL A 37 15.683 2.828 3.339 1.00 0.00 H new ATOM 591 N ILE A 38 11.323 3.356 1.205 1.00 0.00 N ATOM 592 CA ILE A 38 10.158 3.510 0.286 1.00 0.00 C ATOM 593 C ILE A 38 10.178 4.901 -0.355 1.00 0.00 C ATOM 594 O ILE A 38 9.822 5.881 0.267 1.00 0.00 O ATOM 595 CB ILE A 38 8.914 3.367 1.169 1.00 0.00 C ATOM 596 CG1 ILE A 38 9.110 4.187 2.456 1.00 0.00 C ATOM 597 CG2 ILE A 38 8.657 1.893 1.513 1.00 0.00 C ATOM 598 CD1 ILE A 38 9.728 3.319 3.560 1.00 0.00 C ATOM 0 H ILE A 38 11.389 4.066 1.934 1.00 0.00 H new ATOM 0 HA ILE A 38 10.177 2.772 -0.516 1.00 0.00 H new ATOM 0 HB ILE A 38 8.047 3.742 0.625 1.00 0.00 H new ATOM 0 HG12 ILE A 38 9.755 5.042 2.254 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.151 4.583 2.791 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.769 1.815 2.141 1.00 0.00 H new ATOM 0 HG22 ILE A 38 8.503 1.327 0.595 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.516 1.489 2.049 1.00 0.00 H new ATOM 0 HD11 ILE A 38 9.859 3.917 4.462 1.00 0.00 H new ATOM 0 HD12 ILE A 38 9.068 2.478 3.774 1.00 0.00 H new ATOM 0 HD13 ILE A 38 10.697 2.945 3.229 1.00 0.00 H new ATOM 610 N ARG A 39 10.580 5.001 -1.595 1.00 0.00 N ATOM 611 CA ARG A 39 10.602 6.340 -2.251 1.00 0.00 C ATOM 612 C ARG A 39 9.386 6.497 -3.176 1.00 0.00 C ATOM 613 O ARG A 39 8.575 7.378 -2.966 1.00 0.00 O ATOM 614 CB ARG A 39 11.916 6.397 -3.032 1.00 0.00 C ATOM 615 CG ARG A 39 12.870 7.383 -2.356 1.00 0.00 C ATOM 616 CD ARG A 39 12.934 8.674 -3.174 1.00 0.00 C ATOM 617 NE ARG A 39 14.386 8.913 -3.404 1.00 0.00 N ATOM 618 CZ ARG A 39 14.771 9.807 -4.273 1.00 0.00 C ATOM 619 NH1 ARG A 39 14.399 11.051 -4.138 1.00 0.00 N ATOM 620 NH2 ARG A 39 15.529 9.459 -5.276 1.00 0.00 N ATOM 0 H ARG A 39 10.891 4.222 -2.176 1.00 0.00 H new ATOM 0 HA ARG A 39 10.546 7.154 -1.529 1.00 0.00 H new ATOM 0 HB2 ARG A 39 12.370 5.407 -3.074 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.727 6.705 -4.060 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.530 7.598 -1.343 1.00 0.00 H new ATOM 0 HG3 ARG A 39 13.864 6.944 -2.272 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.397 8.571 -4.117 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.478 9.505 -2.636 1.00 0.00 H new ATOM 0 HE ARG A 39 15.080 8.378 -2.882 1.00 0.00 H new ATOM 0 HH11 ARG A 39 13.807 11.324 -3.353 1.00 0.00 H new ATOM 0 HH12 ARG A 39 14.700 11.750 -4.817 1.00 0.00 H new ATOM 0 HH21 ARG A 39 15.821 8.487 -5.381 1.00 0.00 H new ATOM 0 HH22 ARG A 39 15.829 10.158 -5.955 1.00 0.00 H new ATOM 634 N PRO A 40 9.276 5.639 -4.166 1.00 0.00 N ATOM 635 CA PRO A 40 8.128 5.713 -5.090 1.00 0.00 C ATOM 636 C PRO A 40 6.941 4.916 -4.531 1.00 0.00 C ATOM 637 O PRO A 40 6.398 4.038 -5.178 1.00 0.00 O ATOM 638 CB PRO A 40 8.666 5.085 -6.371 1.00 0.00 C ATOM 639 CG PRO A 40 9.793 4.187 -5.947 1.00 0.00 C ATOM 640 CD PRO A 40 10.181 4.543 -4.526 1.00 0.00 C ATOM 0 HA PRO A 40 7.759 6.727 -5.245 1.00 0.00 H new ATOM 0 HB2 PRO A 40 7.889 4.520 -6.885 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.016 5.850 -7.064 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.488 3.142 -6.006 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.646 4.308 -6.615 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.061 3.692 -3.856 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.224 4.852 -4.464 1.00 0.00 H new ATOM 648 N CYS A 41 6.541 5.217 -3.325 1.00 0.00 N ATOM 649 CA CYS A 41 5.394 4.488 -2.710 1.00 0.00 C ATOM 650 C CYS A 41 4.123 5.352 -2.760 1.00 0.00 C ATOM 651 O CYS A 41 4.008 6.358 -2.080 1.00 0.00 O ATOM 652 CB CYS A 41 5.831 4.231 -1.268 1.00 0.00 C ATOM 653 SG CYS A 41 4.394 3.782 -0.265 1.00 0.00 S ATOM 0 H CYS A 41 6.960 5.938 -2.738 1.00 0.00 H new ATOM 0 HA CYS A 41 5.155 3.562 -3.233 1.00 0.00 H new ATOM 0 HB2 CYS A 41 6.571 3.431 -1.239 1.00 0.00 H new ATOM 0 HB3 CYS A 41 6.308 5.121 -0.859 1.00 0.00 H new ATOM 0 HG CYS A 41 3.714 2.855 -0.872 1.00 0.00 H new ATOM 659 N MET A 42 3.170 4.963 -3.567 1.00 0.00 N ATOM 660 CA MET A 42 1.909 5.753 -3.676 1.00 0.00 C ATOM 661 C MET A 42 0.720 4.950 -3.135 1.00 0.00 C ATOM 662 O MET A 42 0.850 3.798 -2.772 1.00 0.00 O ATOM 663 CB MET A 42 1.732 6.002 -5.172 1.00 0.00 C ATOM 664 CG MET A 42 2.579 7.202 -5.598 1.00 0.00 C ATOM 665 SD MET A 42 1.659 8.190 -6.803 1.00 0.00 S ATOM 666 CE MET A 42 3.064 8.639 -7.851 1.00 0.00 C ATOM 0 H MET A 42 3.211 4.131 -4.156 1.00 0.00 H new ATOM 0 HA MET A 42 1.957 6.678 -3.101 1.00 0.00 H new ATOM 0 HB2 MET A 42 2.028 5.117 -5.735 1.00 0.00 H new ATOM 0 HB3 MET A 42 0.682 6.187 -5.398 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.831 7.810 -4.729 1.00 0.00 H new ATOM 0 HG3 MET A 42 3.519 6.862 -6.032 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.718 9.262 -8.676 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.796 9.191 -7.261 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.525 7.735 -8.248 1.00 0.00 H new ATOM 676 N LYS A 43 -0.441 5.550 -3.088 1.00 0.00 N ATOM 677 CA LYS A 43 -1.640 4.818 -2.583 1.00 0.00 C ATOM 678 C LYS A 43 -2.900 5.301 -3.300 1.00 0.00 C ATOM 679 O LYS A 43 -3.251 6.460 -3.241 1.00 0.00 O ATOM 680 CB LYS A 43 -1.730 5.159 -1.097 1.00 0.00 C ATOM 681 CG LYS A 43 -2.619 4.126 -0.401 1.00 0.00 C ATOM 682 CD LYS A 43 -3.677 4.846 0.437 1.00 0.00 C ATOM 683 CE LYS A 43 -4.911 5.122 -0.425 1.00 0.00 C ATOM 684 NZ LYS A 43 -5.992 5.447 0.546 1.00 0.00 N ATOM 0 H LYS A 43 -0.610 6.513 -3.377 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.556 3.745 -2.755 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.736 5.162 -0.651 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.141 6.160 -0.965 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.099 3.486 -1.141 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.014 3.479 0.235 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.951 4.236 1.298 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.274 5.782 0.824 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.736 5.949 -1.112 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.172 4.254 -1.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.866 4.955 0.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.707 5.140 1.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.159 6.473 0.548 1.00 0.00 H new ATOM 698 N LYS A 44 -3.592 4.420 -3.965 1.00 0.00 N ATOM 699 CA LYS A 44 -4.836 4.839 -4.667 1.00 0.00 C ATOM 700 C LYS A 44 -6.042 4.152 -4.026 1.00 0.00 C ATOM 701 O LYS A 44 -5.908 3.164 -3.332 1.00 0.00 O ATOM 702 CB LYS A 44 -4.655 4.377 -6.114 1.00 0.00 C ATOM 703 CG LYS A 44 -5.602 5.163 -7.024 1.00 0.00 C ATOM 704 CD LYS A 44 -4.786 6.026 -7.988 1.00 0.00 C ATOM 705 CE LYS A 44 -4.923 5.473 -9.409 1.00 0.00 C ATOM 706 NZ LYS A 44 -6.341 5.727 -9.785 1.00 0.00 N ATOM 0 H LYS A 44 -3.352 3.433 -4.053 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.008 5.914 -4.610 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.622 4.528 -6.429 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.859 3.309 -6.194 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.238 4.477 -7.583 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.260 5.792 -6.425 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.135 7.058 -7.953 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.738 6.033 -7.689 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.237 5.971 -10.094 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.690 4.409 -9.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.391 6.000 -10.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.900 4.863 -9.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.724 6.495 -9.197 1.00 0.00 H new ATOM 720 N THR A 45 -7.220 4.664 -4.239 1.00 0.00 N ATOM 721 CA THR A 45 -8.414 4.029 -3.626 1.00 0.00 C ATOM 722 C THR A 45 -9.690 4.519 -4.314 1.00 0.00 C ATOM 723 O THR A 45 -9.751 5.617 -4.831 1.00 0.00 O ATOM 724 CB THR A 45 -8.380 4.481 -2.163 1.00 0.00 C ATOM 725 OG1 THR A 45 -7.450 3.682 -1.446 1.00 0.00 O ATOM 726 CG2 THR A 45 -9.768 4.332 -1.539 1.00 0.00 C ATOM 0 H THR A 45 -7.406 5.490 -4.808 1.00 0.00 H new ATOM 0 HA THR A 45 -8.406 2.943 -3.723 1.00 0.00 H new ATOM 0 HB THR A 45 -8.079 5.527 -2.117 1.00 0.00 H new ATOM 0 HG1 THR A 45 -6.921 3.150 -2.077 1.00 0.00 H new ATOM 0 HG21 THR A 45 -9.736 4.655 -0.499 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.482 4.946 -2.088 1.00 0.00 H new ATOM 0 HG23 THR A 45 -10.077 3.288 -1.585 1.00 0.00 H new ATOM 734 N ILE A 46 -10.719 3.721 -4.290 1.00 0.00 N ATOM 735 CA ILE A 46 -12.007 4.135 -4.899 1.00 0.00 C ATOM 736 C ILE A 46 -13.054 4.067 -3.801 1.00 0.00 C ATOM 737 O ILE A 46 -14.149 3.584 -3.983 1.00 0.00 O ATOM 738 CB ILE A 46 -12.293 3.108 -5.989 1.00 0.00 C ATOM 739 CG1 ILE A 46 -13.629 3.439 -6.657 1.00 0.00 C ATOM 740 CG2 ILE A 46 -12.365 1.715 -5.360 1.00 0.00 C ATOM 741 CD1 ILE A 46 -13.371 4.123 -8.000 1.00 0.00 C ATOM 0 H ILE A 46 -10.720 2.791 -3.870 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.998 5.140 -5.321 1.00 0.00 H new ATOM 0 HB ILE A 46 -11.499 3.130 -6.736 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -14.209 2.528 -6.806 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -14.219 4.090 -6.012 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -12.569 0.976 -6.135 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -11.415 1.483 -4.879 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -13.162 1.692 -4.617 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -14.322 4.359 -8.477 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -12.808 5.042 -7.838 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -12.798 3.456 -8.644 1.00 0.00 H new ATOM 898 N GLY A 55 -13.578 1.008 -1.756 1.00 0.00 N ATOM 899 CA GLY A 55 -12.468 0.017 -1.890 1.00 0.00 C ATOM 900 C GLY A 55 -11.116 0.686 -1.661 1.00 0.00 C ATOM 901 O GLY A 55 -11.026 1.884 -1.494 1.00 0.00 O ATOM 0 HA2 GLY A 55 -12.606 -0.790 -1.171 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -12.493 -0.433 -2.883 1.00 0.00 H new ATOM 905 N TYR A 56 -10.060 -0.085 -1.651 1.00 0.00 N ATOM 906 CA TYR A 56 -8.711 0.507 -1.427 1.00 0.00 C ATOM 907 C TYR A 56 -7.619 -0.346 -2.087 1.00 0.00 C ATOM 908 O TYR A 56 -7.309 -1.434 -1.644 1.00 0.00 O ATOM 909 CB TYR A 56 -8.546 0.519 0.096 1.00 0.00 C ATOM 910 CG TYR A 56 -7.091 0.717 0.461 1.00 0.00 C ATOM 911 CD1 TYR A 56 -6.228 1.388 -0.413 1.00 0.00 C ATOM 912 CD2 TYR A 56 -6.609 0.229 1.682 1.00 0.00 C ATOM 913 CE1 TYR A 56 -4.883 1.570 -0.068 1.00 0.00 C ATOM 914 CE2 TYR A 56 -5.265 0.412 2.028 1.00 0.00 C ATOM 915 CZ TYR A 56 -4.402 1.083 1.153 1.00 0.00 C ATOM 916 OH TYR A 56 -3.077 1.263 1.494 1.00 0.00 O ATOM 0 H TYR A 56 -10.075 -1.096 -1.788 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.620 1.502 -1.863 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -9.149 1.317 0.528 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -8.910 -0.419 0.516 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -6.600 1.766 -1.354 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -7.274 -0.289 2.357 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -4.217 2.086 -0.744 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -4.894 0.036 2.970 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.909 0.866 2.374 1.00 0.00 H new ATOM 926 N GLU A 57 -7.020 0.163 -3.130 1.00 0.00 N ATOM 927 CA GLU A 57 -5.924 -0.583 -3.818 1.00 0.00 C ATOM 928 C GLU A 57 -4.687 0.317 -3.869 1.00 0.00 C ATOM 929 O GLU A 57 -4.752 1.437 -4.335 1.00 0.00 O ATOM 930 CB GLU A 57 -6.451 -0.867 -5.225 1.00 0.00 C ATOM 931 CG GLU A 57 -6.955 0.433 -5.854 1.00 0.00 C ATOM 932 CD GLU A 57 -8.480 0.388 -5.965 1.00 0.00 C ATOM 933 OE1 GLU A 57 -9.112 -0.026 -5.008 1.00 0.00 O ATOM 934 OE2 GLU A 57 -8.989 0.769 -7.007 1.00 0.00 O ATOM 0 H GLU A 57 -7.244 1.070 -3.539 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.647 -1.508 -3.312 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.661 -1.299 -5.840 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.258 -1.599 -5.182 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.649 1.285 -5.248 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.512 0.568 -6.841 1.00 0.00 H new ATOM 941 N TYR A 58 -3.570 -0.128 -3.367 1.00 0.00 N ATOM 942 CA TYR A 58 -2.374 0.775 -3.374 1.00 0.00 C ATOM 943 C TYR A 58 -1.169 0.178 -4.109 1.00 0.00 C ATOM 944 O TYR A 58 -1.125 -0.991 -4.439 1.00 0.00 O ATOM 945 CB TYR A 58 -2.055 1.017 -1.885 1.00 0.00 C ATOM 946 CG TYR A 58 -0.854 0.202 -1.422 1.00 0.00 C ATOM 947 CD1 TYR A 58 -0.762 -1.163 -1.721 1.00 0.00 C ATOM 948 CD2 TYR A 58 0.159 0.817 -0.675 1.00 0.00 C ATOM 949 CE1 TYR A 58 0.334 -1.906 -1.272 1.00 0.00 C ATOM 950 CE2 TYR A 58 1.256 0.073 -0.232 1.00 0.00 C ATOM 951 CZ TYR A 58 1.343 -1.288 -0.528 1.00 0.00 C ATOM 952 OH TYR A 58 2.425 -2.023 -0.088 1.00 0.00 O ATOM 0 H TYR A 58 -3.428 -1.053 -2.961 1.00 0.00 H new ATOM 0 HA TYR A 58 -2.589 1.696 -3.915 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -1.859 2.077 -1.723 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.924 0.758 -1.281 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -1.538 -1.642 -2.299 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.092 1.869 -0.441 1.00 0.00 H new ATOM 0 HE1 TYR A 58 0.401 -2.959 -1.500 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.037 0.552 0.340 1.00 0.00 H new ATOM 0 HH TYR A 58 2.598 -2.757 -0.714 1.00 0.00 H new ATOM 962 N GLN A 59 -0.178 1.002 -4.326 1.00 0.00 N ATOM 963 CA GLN A 59 1.072 0.555 -4.997 1.00 0.00 C ATOM 964 C GLN A 59 2.262 1.090 -4.194 1.00 0.00 C ATOM 965 O GLN A 59 2.380 2.279 -3.971 1.00 0.00 O ATOM 966 CB GLN A 59 1.027 1.185 -6.389 1.00 0.00 C ATOM 967 CG GLN A 59 -0.102 0.549 -7.202 1.00 0.00 C ATOM 968 CD GLN A 59 -1.150 1.612 -7.539 1.00 0.00 C ATOM 969 OE1 GLN A 59 -1.228 2.634 -6.887 1.00 0.00 O ATOM 970 NE2 GLN A 59 -1.965 1.413 -8.538 1.00 0.00 N ATOM 0 H GLN A 59 -0.186 1.987 -4.059 1.00 0.00 H new ATOM 0 HA GLN A 59 1.167 -0.529 -5.063 1.00 0.00 H new ATOM 0 HB2 GLN A 59 0.869 2.261 -6.308 1.00 0.00 H new ATOM 0 HB3 GLN A 59 1.981 1.040 -6.896 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.296 0.113 -8.118 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.560 -0.262 -6.636 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -1.900 0.555 -9.086 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -2.667 2.115 -8.771 1.00 0.00 H new ATOM 979 N LEU A 60 3.135 0.235 -3.743 1.00 0.00 N ATOM 980 CA LEU A 60 4.295 0.719 -2.943 1.00 0.00 C ATOM 981 C LEU A 60 5.598 0.316 -3.623 1.00 0.00 C ATOM 982 O LEU A 60 6.312 -0.552 -3.161 1.00 0.00 O ATOM 983 CB LEU A 60 4.145 0.039 -1.578 1.00 0.00 C ATOM 984 CG LEU A 60 5.454 0.140 -0.786 1.00 0.00 C ATOM 985 CD1 LEU A 60 5.238 1.015 0.450 1.00 0.00 C ATOM 986 CD2 LEU A 60 5.889 -1.260 -0.341 1.00 0.00 C ATOM 0 H LEU A 60 3.097 -0.773 -3.892 1.00 0.00 H new ATOM 0 HA LEU A 60 4.318 1.804 -2.846 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.336 0.508 -1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.874 -1.008 -1.714 1.00 0.00 H new ATOM 0 HG LEU A 60 6.225 0.582 -1.417 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.169 1.086 1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.924 2.012 0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.467 0.571 1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.820 -1.190 0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.115 -1.698 0.289 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.042 -1.889 -1.218 1.00 0.00 H new ATOM 998 N TYR A 61 5.918 0.958 -4.711 1.00 0.00 N ATOM 999 CA TYR A 61 7.177 0.638 -5.427 1.00 0.00 C ATOM 1000 C TYR A 61 8.351 1.077 -4.562 1.00 0.00 C ATOM 1001 O TYR A 61 8.600 2.251 -4.392 1.00 0.00 O ATOM 1002 CB TYR A 61 7.077 1.447 -6.713 1.00 0.00 C ATOM 1003 CG TYR A 61 8.439 1.571 -7.353 1.00 0.00 C ATOM 1004 CD1 TYR A 61 9.417 0.596 -7.118 1.00 0.00 C ATOM 1005 CD2 TYR A 61 8.724 2.661 -8.183 1.00 0.00 C ATOM 1006 CE1 TYR A 61 10.678 0.712 -7.713 1.00 0.00 C ATOM 1007 CE2 TYR A 61 9.986 2.778 -8.778 1.00 0.00 C ATOM 1008 CZ TYR A 61 10.963 1.803 -8.542 1.00 0.00 C ATOM 1009 OH TYR A 61 12.207 1.918 -9.128 1.00 0.00 O ATOM 0 H TYR A 61 5.355 1.695 -5.136 1.00 0.00 H new ATOM 0 HA TYR A 61 7.324 -0.421 -5.638 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.385 0.964 -7.403 1.00 0.00 H new ATOM 0 HB3 TYR A 61 6.675 2.437 -6.499 1.00 0.00 H new ATOM 0 HD1 TYR A 61 9.198 -0.245 -6.477 1.00 0.00 H new ATOM 0 HD2 TYR A 61 7.970 3.413 -8.365 1.00 0.00 H new ATOM 0 HE1 TYR A 61 11.431 -0.040 -7.533 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.206 3.619 -9.418 1.00 0.00 H new ATOM 0 HH TYR A 61 12.238 2.732 -9.673 1.00 0.00 H new ATOM 1019 N VAL A 62 9.050 0.140 -3.980 1.00 0.00 N ATOM 1020 CA VAL A 62 10.181 0.512 -3.089 1.00 0.00 C ATOM 1021 C VAL A 62 11.154 -0.649 -2.957 1.00 0.00 C ATOM 1022 O VAL A 62 11.171 -1.563 -3.758 1.00 0.00 O ATOM 1023 CB VAL A 62 9.526 0.797 -1.736 1.00 0.00 C ATOM 1024 CG1 VAL A 62 8.544 1.964 -1.867 1.00 0.00 C ATOM 1025 CG2 VAL A 62 8.764 -0.444 -1.270 1.00 0.00 C ATOM 0 H VAL A 62 8.886 -0.861 -4.083 1.00 0.00 H new ATOM 0 HA VAL A 62 10.745 1.363 -3.471 1.00 0.00 H new ATOM 0 HB VAL A 62 10.300 1.053 -1.013 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.082 2.161 -0.900 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.078 2.853 -2.202 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.772 1.710 -2.593 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.296 -0.243 -0.306 1.00 0.00 H new ATOM 0 HG22 VAL A 62 7.995 -0.695 -2.001 1.00 0.00 H new ATOM 0 HG23 VAL A 62 9.456 -1.280 -1.170 1.00 0.00 H new ATOM 1035 N TYR A 63 11.958 -0.625 -1.937 1.00 0.00 N ATOM 1036 CA TYR A 63 12.926 -1.730 -1.730 1.00 0.00 C ATOM 1037 C TYR A 63 13.030 -2.059 -0.243 1.00 0.00 C ATOM 1038 O TYR A 63 13.224 -1.191 0.584 1.00 0.00 O ATOM 1039 CB TYR A 63 14.263 -1.207 -2.251 1.00 0.00 C ATOM 1040 CG TYR A 63 15.310 -2.297 -2.162 1.00 0.00 C ATOM 1041 CD1 TYR A 63 14.931 -3.642 -2.033 1.00 0.00 C ATOM 1042 CD2 TYR A 63 16.665 -1.958 -2.211 1.00 0.00 C ATOM 1043 CE1 TYR A 63 15.909 -4.640 -1.953 1.00 0.00 C ATOM 1044 CE2 TYR A 63 17.643 -2.957 -2.132 1.00 0.00 C ATOM 1045 CZ TYR A 63 17.265 -4.298 -2.003 1.00 0.00 C ATOM 1046 OH TYR A 63 18.230 -5.282 -1.925 1.00 0.00 O ATOM 0 H TYR A 63 11.987 0.115 -1.235 1.00 0.00 H new ATOM 0 HA TYR A 63 12.622 -2.641 -2.246 1.00 0.00 H new ATOM 0 HB2 TYR A 63 14.157 -0.876 -3.284 1.00 0.00 H new ATOM 0 HB3 TYR A 63 14.577 -0.340 -1.669 1.00 0.00 H new ATOM 0 HD1 TYR A 63 13.885 -3.907 -1.995 1.00 0.00 H new ATOM 0 HD2 TYR A 63 16.958 -0.923 -2.310 1.00 0.00 H new ATOM 0 HE1 TYR A 63 15.617 -5.675 -1.853 1.00 0.00 H new ATOM 0 HE2 TYR A 63 18.689 -2.692 -2.171 1.00 0.00 H new ATOM 0 HH TYR A 63 19.119 -4.873 -1.976 1.00 0.00 H new ATOM 1056 N ALA A 64 12.898 -3.304 0.102 1.00 0.00 N ATOM 1057 CA ALA A 64 12.989 -3.697 1.532 1.00 0.00 C ATOM 1058 C ALA A 64 14.110 -4.724 1.709 1.00 0.00 C ATOM 1059 O ALA A 64 15.212 -4.533 1.233 1.00 0.00 O ATOM 1060 CB ALA A 64 11.632 -4.318 1.837 1.00 0.00 C ATOM 0 H ALA A 64 12.730 -4.072 -0.548 1.00 0.00 H new ATOM 0 HA ALA A 64 13.214 -2.862 2.195 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.605 -4.640 2.878 1.00 0.00 H new ATOM 0 HB2 ALA A 64 10.848 -3.581 1.665 1.00 0.00 H new ATOM 0 HB3 ALA A 64 11.471 -5.178 1.187 1.00 0.00 H new ATOM 1066 N SER A 65 13.840 -5.819 2.368 1.00 0.00 N ATOM 1067 CA SER A 65 14.891 -6.859 2.539 1.00 0.00 C ATOM 1068 C SER A 65 14.868 -7.786 1.322 1.00 0.00 C ATOM 1069 O SER A 65 15.816 -8.492 1.039 1.00 0.00 O ATOM 1070 CB SER A 65 14.501 -7.619 3.806 1.00 0.00 C ATOM 1071 OG SER A 65 13.835 -8.821 3.446 1.00 0.00 O ATOM 0 H SER A 65 12.939 -6.036 2.794 1.00 0.00 H new ATOM 0 HA SER A 65 15.895 -6.443 2.622 1.00 0.00 H new ATOM 0 HB2 SER A 65 15.389 -7.845 4.396 1.00 0.00 H new ATOM 0 HB3 SER A 65 13.852 -7.003 4.428 1.00 0.00 H new ATOM 0 HG SER A 65 13.028 -8.607 2.933 1.00 0.00 H new ATOM 1077 N ASP A 66 13.782 -7.776 0.596 1.00 0.00 N ATOM 1078 CA ASP A 66 13.664 -8.637 -0.615 1.00 0.00 C ATOM 1079 C ASP A 66 12.522 -8.128 -1.503 1.00 0.00 C ATOM 1080 O ASP A 66 11.956 -8.861 -2.288 1.00 0.00 O ATOM 1081 CB ASP A 66 13.348 -10.035 -0.082 1.00 0.00 C ATOM 1082 CG ASP A 66 12.122 -9.969 0.831 1.00 0.00 C ATOM 1083 OD1 ASP A 66 12.182 -9.257 1.821 1.00 0.00 O ATOM 1084 OD2 ASP A 66 11.143 -10.629 0.525 1.00 0.00 O ATOM 0 H ASP A 66 12.963 -7.201 0.793 1.00 0.00 H new ATOM 0 HA ASP A 66 14.571 -8.632 -1.220 1.00 0.00 H new ATOM 0 HB2 ASP A 66 13.161 -10.718 -0.911 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.203 -10.428 0.468 1.00 0.00 H new ATOM 1089 N LYS A 67 12.180 -6.871 -1.376 1.00 0.00 N ATOM 1090 CA LYS A 67 11.075 -6.301 -2.201 1.00 0.00 C ATOM 1091 C LYS A 67 11.609 -5.198 -3.114 1.00 0.00 C ATOM 1092 O LYS A 67 11.332 -4.033 -2.930 1.00 0.00 O ATOM 1093 CB LYS A 67 10.097 -5.715 -1.196 1.00 0.00 C ATOM 1094 CG LYS A 67 9.113 -4.799 -1.921 1.00 0.00 C ATOM 1095 CD LYS A 67 9.182 -3.400 -1.310 1.00 0.00 C ATOM 1096 CE LYS A 67 8.529 -3.411 0.074 1.00 0.00 C ATOM 1097 NZ LYS A 67 7.202 -4.057 -0.132 1.00 0.00 N ATOM 0 H LYS A 67 12.621 -6.213 -0.733 1.00 0.00 H new ATOM 0 HA LYS A 67 10.612 -7.053 -2.840 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.559 -6.515 -0.687 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.636 -5.156 -0.431 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.353 -4.757 -2.983 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.101 -5.195 -1.838 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.220 -3.078 -1.231 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.675 -2.684 -1.957 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.132 -3.968 0.791 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.419 -2.400 0.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.563 -3.794 0.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.797 -3.738 -1.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.318 -5.090 -0.150 1.00 0.00 H new ATOM 1111 N LEU A 68 12.347 -5.567 -4.104 1.00 0.00 N ATOM 1112 CA LEU A 68 12.887 -4.551 -5.056 1.00 0.00 C ATOM 1113 C LEU A 68 11.805 -4.213 -6.073 1.00 0.00 C ATOM 1114 O LEU A 68 12.016 -4.284 -7.268 1.00 0.00 O ATOM 1115 CB LEU A 68 14.074 -5.230 -5.739 1.00 0.00 C ATOM 1116 CG LEU A 68 15.157 -5.525 -4.703 1.00 0.00 C ATOM 1117 CD1 LEU A 68 15.819 -6.865 -5.025 1.00 0.00 C ATOM 1118 CD2 LEU A 68 16.208 -4.413 -4.738 1.00 0.00 C ATOM 0 H LEU A 68 12.608 -6.532 -4.306 1.00 0.00 H new ATOM 0 HA LEU A 68 13.190 -3.625 -4.567 1.00 0.00 H new ATOM 0 HB2 LEU A 68 13.752 -6.155 -6.217 1.00 0.00 H new ATOM 0 HB3 LEU A 68 14.472 -4.587 -6.524 1.00 0.00 H new ATOM 0 HG LEU A 68 14.710 -5.572 -3.710 1.00 0.00 H new ATOM 0 HD11 LEU A 68 16.592 -7.076 -4.286 1.00 0.00 H new ATOM 0 HD12 LEU A 68 15.069 -7.656 -5.002 1.00 0.00 H new ATOM 0 HD13 LEU A 68 16.268 -6.820 -6.017 1.00 0.00 H new ATOM 0 HD21 LEU A 68 16.982 -4.621 -4.000 1.00 0.00 H new ATOM 0 HD22 LEU A 68 16.656 -4.367 -5.731 1.00 0.00 H new ATOM 0 HD23 LEU A 68 15.735 -3.458 -4.509 1.00 0.00 H new ATOM 1130 N PHE A 69 10.641 -3.859 -5.606 1.00 0.00 N ATOM 1131 CA PHE A 69 9.529 -3.533 -6.543 1.00 0.00 C ATOM 1132 C PHE A 69 8.378 -2.884 -5.775 1.00 0.00 C ATOM 1133 O PHE A 69 8.573 -2.272 -4.744 1.00 0.00 O ATOM 1134 CB PHE A 69 9.055 -4.868 -7.172 1.00 0.00 C ATOM 1135 CG PHE A 69 9.818 -6.063 -6.638 1.00 0.00 C ATOM 1136 CD1 PHE A 69 9.425 -6.664 -5.436 1.00 0.00 C ATOM 1137 CD2 PHE A 69 10.906 -6.578 -7.353 1.00 0.00 C ATOM 1138 CE1 PHE A 69 10.121 -7.776 -4.949 1.00 0.00 C ATOM 1139 CE2 PHE A 69 11.601 -7.692 -6.867 1.00 0.00 C ATOM 1140 CZ PHE A 69 11.209 -8.291 -5.665 1.00 0.00 C ATOM 0 H PHE A 69 10.411 -3.781 -4.615 1.00 0.00 H new ATOM 0 HA PHE A 69 9.861 -2.837 -7.313 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.991 -5.002 -6.974 1.00 0.00 H new ATOM 0 HB3 PHE A 69 9.174 -4.819 -8.254 1.00 0.00 H new ATOM 0 HD1 PHE A 69 8.584 -6.269 -4.885 1.00 0.00 H new ATOM 0 HD2 PHE A 69 11.210 -6.115 -8.281 1.00 0.00 H new ATOM 0 HE1 PHE A 69 9.819 -8.237 -4.020 1.00 0.00 H new ATOM 0 HE2 PHE A 69 12.440 -8.089 -7.420 1.00 0.00 H new ATOM 0 HZ PHE A 69 11.745 -9.150 -5.289 1.00 0.00 H new ATOM 1150 N ARG A 70 7.178 -3.005 -6.273 1.00 0.00 N ATOM 1151 CA ARG A 70 6.020 -2.390 -5.574 1.00 0.00 C ATOM 1152 C ARG A 70 5.165 -3.442 -4.892 1.00 0.00 C ATOM 1153 O ARG A 70 4.588 -4.305 -5.527 1.00 0.00 O ATOM 1154 CB ARG A 70 5.211 -1.695 -6.670 1.00 0.00 C ATOM 1155 CG ARG A 70 3.864 -1.207 -6.105 1.00 0.00 C ATOM 1156 CD ARG A 70 2.817 -1.220 -7.220 1.00 0.00 C ATOM 1157 NE ARG A 70 3.273 -0.185 -8.188 1.00 0.00 N ATOM 1158 CZ ARG A 70 3.226 -0.424 -9.471 1.00 0.00 C ATOM 1159 NH1 ARG A 70 2.272 -1.166 -9.963 1.00 0.00 N ATOM 1160 NH2 ARG A 70 4.135 0.078 -10.262 1.00 0.00 N ATOM 0 H ARG A 70 6.952 -3.503 -7.134 1.00 0.00 H new ATOM 0 HA ARG A 70 6.350 -1.702 -4.796 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.774 -0.851 -7.069 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.039 -2.383 -7.498 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.546 -1.849 -5.284 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.969 -0.200 -5.700 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.754 -2.201 -7.691 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.825 -0.988 -6.833 1.00 0.00 H new ATOM 0 HE ARG A 70 3.622 0.711 -7.849 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.562 -1.560 -9.345 1.00 0.00 H new ATOM 0 HH12 ARG A 70 2.236 -1.352 -10.965 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.882 0.657 -9.878 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.098 -0.109 -11.264 1.00 0.00 H new ATOM 1174 N ALA A 71 5.039 -3.341 -3.604 1.00 0.00 N ATOM 1175 CA ALA A 71 4.171 -4.289 -2.880 1.00 0.00 C ATOM 1176 C ALA A 71 2.742 -3.792 -3.049 1.00 0.00 C ATOM 1177 O ALA A 71 2.365 -2.782 -2.493 1.00 0.00 O ATOM 1178 CB ALA A 71 4.609 -4.214 -1.417 1.00 0.00 C ATOM 0 H ALA A 71 5.502 -2.641 -3.024 1.00 0.00 H new ATOM 0 HA ALA A 71 4.235 -5.316 -3.238 1.00 0.00 H new ATOM 0 HB1 ALA A 71 4.003 -4.896 -0.820 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.659 -4.496 -1.337 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.478 -3.196 -1.050 1.00 0.00 H new ATOM 1184 N ASP A 72 1.957 -4.457 -3.842 1.00 0.00 N ATOM 1185 CA ASP A 72 0.564 -3.984 -4.061 1.00 0.00 C ATOM 1186 C ASP A 72 -0.360 -4.566 -2.997 1.00 0.00 C ATOM 1187 O ASP A 72 -0.047 -5.553 -2.364 1.00 0.00 O ATOM 1188 CB ASP A 72 0.182 -4.503 -5.447 1.00 0.00 C ATOM 1189 CG ASP A 72 -0.696 -3.469 -6.156 1.00 0.00 C ATOM 1190 OD1 ASP A 72 -0.295 -2.318 -6.211 1.00 0.00 O ATOM 1191 OD2 ASP A 72 -1.754 -3.846 -6.633 1.00 0.00 O ATOM 0 H ASP A 72 2.216 -5.304 -4.347 1.00 0.00 H new ATOM 0 HA ASP A 72 0.480 -2.899 -3.997 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.080 -4.697 -6.034 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.352 -5.449 -5.358 1.00 0.00 H new ATOM 1196 N ILE A 73 -1.500 -3.966 -2.800 1.00 0.00 N ATOM 1197 CA ILE A 73 -2.450 -4.495 -1.784 1.00 0.00 C ATOM 1198 C ILE A 73 -3.857 -3.953 -2.059 1.00 0.00 C ATOM 1199 O ILE A 73 -4.126 -2.775 -1.938 1.00 0.00 O ATOM 1200 CB ILE A 73 -1.899 -4.043 -0.415 1.00 0.00 C ATOM 1201 CG1 ILE A 73 -2.101 -5.170 0.600 1.00 0.00 C ATOM 1202 CG2 ILE A 73 -2.613 -2.784 0.091 1.00 0.00 C ATOM 1203 CD1 ILE A 73 -3.587 -5.524 0.681 1.00 0.00 C ATOM 0 H ILE A 73 -1.814 -3.133 -3.298 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.534 -5.581 -1.811 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.840 -3.812 -0.533 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.523 -6.046 0.306 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.736 -4.861 1.580 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.199 -2.495 1.057 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.470 -1.973 -0.623 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.678 -2.988 0.199 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.731 -6.327 1.404 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.153 -4.647 0.995 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.937 -5.851 -0.298 1.00 0.00 H new ATOM 1215 N SER A 74 -4.757 -4.810 -2.440 1.00 0.00 N ATOM 1216 CA SER A 74 -6.141 -4.353 -2.726 1.00 0.00 C ATOM 1217 C SER A 74 -7.045 -4.735 -1.551 1.00 0.00 C ATOM 1218 O SER A 74 -6.863 -5.770 -0.940 1.00 0.00 O ATOM 1219 CB SER A 74 -6.548 -5.115 -3.989 1.00 0.00 C ATOM 1220 OG SER A 74 -7.273 -4.246 -4.850 1.00 0.00 O ATOM 0 H SER A 74 -4.594 -5.809 -2.566 1.00 0.00 H new ATOM 0 HA SER A 74 -6.218 -3.274 -2.864 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.663 -5.495 -4.499 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.160 -5.978 -3.726 1.00 0.00 H new ATOM 0 HG SER A 74 -7.533 -4.731 -5.661 1.00 0.00 H new ATOM 1226 N GLU A 75 -8.011 -3.923 -1.207 1.00 0.00 N ATOM 1227 CA GLU A 75 -8.882 -4.297 -0.053 1.00 0.00 C ATOM 1228 C GLU A 75 -10.275 -3.673 -0.150 1.00 0.00 C ATOM 1229 O GLU A 75 -10.467 -2.497 0.086 1.00 0.00 O ATOM 1230 CB GLU A 75 -8.146 -3.773 1.180 1.00 0.00 C ATOM 1231 CG GLU A 75 -7.498 -4.943 1.924 1.00 0.00 C ATOM 1232 CD GLU A 75 -6.832 -4.430 3.202 1.00 0.00 C ATOM 1233 OE1 GLU A 75 -6.420 -3.281 3.212 1.00 0.00 O ATOM 1234 OE2 GLU A 75 -6.747 -5.194 4.149 1.00 0.00 O ATOM 0 H GLU A 75 -8.232 -3.037 -1.663 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.048 -5.374 -0.021 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.385 -3.051 0.883 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.841 -3.251 1.837 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.250 -5.693 2.169 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.759 -5.429 1.286 1.00 0.00 H new ATOM 1241 N ASP A 76 -11.249 -4.475 -0.480 1.00 0.00 N ATOM 1242 CA ASP A 76 -12.649 -3.976 -0.583 1.00 0.00 C ATOM 1243 C ASP A 76 -13.050 -3.201 0.675 1.00 0.00 C ATOM 1244 O ASP A 76 -12.330 -3.161 1.653 1.00 0.00 O ATOM 1245 CB ASP A 76 -13.494 -5.245 -0.702 1.00 0.00 C ATOM 1246 CG ASP A 76 -13.044 -6.263 0.348 1.00 0.00 C ATOM 1247 OD1 ASP A 76 -12.133 -7.021 0.055 1.00 0.00 O ATOM 1248 OD2 ASP A 76 -13.618 -6.268 1.424 1.00 0.00 O ATOM 0 H ASP A 76 -11.133 -5.467 -0.685 1.00 0.00 H new ATOM 0 HA ASP A 76 -12.779 -3.295 -1.424 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -14.548 -5.006 -0.563 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -13.392 -5.669 -1.701 1.00 0.00 H new ATOM 1365 N LYS A 83 -9.129 -8.181 -2.371 1.00 0.00 N ATOM 1366 CA LYS A 83 -8.254 -8.627 -1.249 1.00 0.00 C ATOM 1367 C LYS A 83 -7.029 -9.323 -1.843 1.00 0.00 C ATOM 1368 O LYS A 83 -7.085 -10.478 -2.216 1.00 0.00 O ATOM 1369 CB LYS A 83 -9.099 -9.616 -0.443 1.00 0.00 C ATOM 1370 CG LYS A 83 -10.382 -8.931 0.032 1.00 0.00 C ATOM 1371 CD LYS A 83 -11.084 -9.818 1.064 1.00 0.00 C ATOM 1372 CE LYS A 83 -12.455 -9.227 1.399 1.00 0.00 C ATOM 1373 NZ LYS A 83 -13.189 -10.324 2.088 1.00 0.00 N ATOM 0 HA LYS A 83 -7.908 -7.806 -0.621 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.344 -10.484 -1.056 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.532 -9.981 0.413 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -10.148 -7.961 0.470 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -11.043 -8.747 -0.815 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.198 -10.829 0.672 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -10.478 -9.892 1.967 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -12.361 -8.351 2.041 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.978 -8.907 0.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.140 -9.995 2.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.269 -11.142 1.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.671 -10.603 2.946 1.00 0.00 H new ATOM 1387 N LEU A 84 -5.929 -8.629 -1.968 1.00 0.00 N ATOM 1388 CA LEU A 84 -4.729 -9.263 -2.576 1.00 0.00 C ATOM 1389 C LEU A 84 -3.508 -8.357 -2.426 1.00 0.00 C ATOM 1390 O LEU A 84 -3.558 -7.334 -1.775 1.00 0.00 O ATOM 1391 CB LEU A 84 -5.093 -9.408 -4.054 1.00 0.00 C ATOM 1392 CG LEU A 84 -5.160 -8.023 -4.698 1.00 0.00 C ATOM 1393 CD1 LEU A 84 -4.118 -7.925 -5.813 1.00 0.00 C ATOM 1394 CD2 LEU A 84 -6.557 -7.804 -5.285 1.00 0.00 C ATOM 0 H LEU A 84 -5.812 -7.658 -1.677 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.477 -10.213 -2.104 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.351 -10.023 -4.564 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.052 -9.915 -4.156 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.956 -7.262 -3.945 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.167 -6.937 -6.271 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.123 -8.083 -5.396 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.320 -8.685 -6.568 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.608 -6.817 -5.745 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.759 -8.566 -6.038 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -7.300 -7.873 -4.491 1.00 0.00 H new ATOM 1406 N LEU A 85 -2.417 -8.726 -3.038 1.00 0.00 N ATOM 1407 CA LEU A 85 -1.191 -7.891 -2.953 1.00 0.00 C ATOM 1408 C LEU A 85 -0.145 -8.420 -3.948 1.00 0.00 C ATOM 1409 O LEU A 85 -0.290 -9.496 -4.493 1.00 0.00 O ATOM 1410 CB LEU A 85 -0.742 -8.018 -1.486 1.00 0.00 C ATOM 1411 CG LEU A 85 0.618 -8.710 -1.376 1.00 0.00 C ATOM 1412 CD1 LEU A 85 1.194 -8.453 0.012 1.00 0.00 C ATOM 1413 CD2 LEU A 85 0.436 -10.216 -1.591 1.00 0.00 C ATOM 0 H LEU A 85 -2.324 -9.575 -3.596 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.346 -6.845 -3.216 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.686 -7.028 -1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.486 -8.583 -0.924 1.00 0.00 H new ATOM 0 HG LEU A 85 1.299 -8.318 -2.131 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.164 -8.943 0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.314 -7.380 0.163 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.516 -8.852 0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.402 -10.714 -1.514 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.239 -10.613 -0.832 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.014 -10.394 -2.580 1.00 0.00 H new ATOM 1425 N ARG A 86 0.901 -7.676 -4.197 1.00 0.00 N ATOM 1426 CA ARG A 86 1.930 -8.157 -5.167 1.00 0.00 C ATOM 1427 C ARG A 86 3.342 -7.756 -4.722 1.00 0.00 C ATOM 1428 O ARG A 86 3.539 -7.187 -3.668 1.00 0.00 O ATOM 1429 CB ARG A 86 1.576 -7.473 -6.487 1.00 0.00 C ATOM 1430 CG ARG A 86 0.109 -7.742 -6.828 1.00 0.00 C ATOM 1431 CD ARG A 86 -0.071 -7.739 -8.348 1.00 0.00 C ATOM 1432 NE ARG A 86 0.048 -6.310 -8.749 1.00 0.00 N ATOM 1433 CZ ARG A 86 0.315 -6.000 -9.988 1.00 0.00 C ATOM 1434 NH1 ARG A 86 0.187 -6.896 -10.928 1.00 0.00 N ATOM 1435 NH2 ARG A 86 0.710 -4.792 -10.288 1.00 0.00 N ATOM 0 H ARG A 86 1.087 -6.766 -3.776 1.00 0.00 H new ATOM 0 HA ARG A 86 1.930 -9.244 -5.247 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.751 -6.400 -6.410 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.219 -7.845 -7.285 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.201 -8.703 -6.416 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.526 -6.981 -6.374 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.688 -8.350 -8.836 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.041 -8.149 -8.631 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.079 -5.573 -8.055 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.122 -7.840 -10.694 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.396 -6.653 -11.896 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.810 -4.091 -9.554 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.919 -4.549 -11.257 1.00 0.00 H new ATOM 1449 N PHE A 87 4.322 -8.057 -5.534 1.00 0.00 N ATOM 1450 CA PHE A 87 5.739 -7.711 -5.204 1.00 0.00 C ATOM 1451 C PHE A 87 6.546 -7.618 -6.504 1.00 0.00 C ATOM 1452 O PHE A 87 7.418 -8.427 -6.756 1.00 0.00 O ATOM 1453 CB PHE A 87 6.254 -8.875 -4.348 1.00 0.00 C ATOM 1454 CG PHE A 87 5.226 -9.247 -3.303 1.00 0.00 C ATOM 1455 CD1 PHE A 87 5.196 -8.574 -2.075 1.00 0.00 C ATOM 1456 CD2 PHE A 87 4.300 -10.266 -3.566 1.00 0.00 C ATOM 1457 CE1 PHE A 87 4.240 -8.920 -1.113 1.00 0.00 C ATOM 1458 CE2 PHE A 87 3.346 -10.610 -2.602 1.00 0.00 C ATOM 1459 CZ PHE A 87 3.317 -9.936 -1.379 1.00 0.00 C ATOM 0 H PHE A 87 4.199 -8.536 -6.426 1.00 0.00 H new ATOM 0 HA PHE A 87 5.826 -6.759 -4.681 1.00 0.00 H new ATOM 0 HB2 PHE A 87 6.468 -9.736 -4.982 1.00 0.00 H new ATOM 0 HB3 PHE A 87 7.190 -8.595 -3.865 1.00 0.00 H new ATOM 0 HD1 PHE A 87 5.909 -7.789 -1.871 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.323 -10.785 -4.513 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.215 -8.402 -0.165 1.00 0.00 H new ATOM 0 HE2 PHE A 87 2.633 -11.396 -2.803 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.579 -10.201 -0.636 1.00 0.00 H new ATOM 1469 N ASN A 88 6.265 -6.650 -7.343 1.00 0.00 N ATOM 1470 CA ASN A 88 7.036 -6.551 -8.622 1.00 0.00 C ATOM 1471 C ASN A 88 7.064 -5.119 -9.153 1.00 0.00 C ATOM 1472 O ASN A 88 6.868 -4.171 -8.426 1.00 0.00 O ATOM 1473 CB ASN A 88 6.345 -7.477 -9.624 1.00 0.00 C ATOM 1474 CG ASN A 88 4.855 -7.617 -9.297 1.00 0.00 C ATOM 1475 OD1 ASN A 88 4.071 -6.736 -9.590 1.00 0.00 O ATOM 1476 ND2 ASN A 88 4.429 -8.696 -8.700 1.00 0.00 N ATOM 0 H ASN A 88 5.549 -5.937 -7.202 1.00 0.00 H new ATOM 0 HA ASN A 88 8.074 -6.842 -8.460 1.00 0.00 H new ATOM 0 HB2 ASN A 88 6.465 -7.083 -10.633 1.00 0.00 H new ATOM 0 HB3 ASN A 88 6.820 -8.458 -9.607 1.00 0.00 H new ATOM 0 HD21 ASN A 88 3.439 -8.800 -8.480 1.00 0.00 H new ATOM 0 HD22 ASN A 88 5.086 -9.436 -8.454 1.00 0.00 H new ATOM 1483 N GLY A 89 7.366 -4.947 -10.411 1.00 0.00 N ATOM 1484 CA GLY A 89 7.477 -3.568 -10.942 1.00 0.00 C ATOM 1485 C GLY A 89 8.776 -3.040 -10.361 1.00 0.00 C ATOM 1486 O GLY A 89 8.805 -2.040 -9.672 1.00 0.00 O ATOM 0 H GLY A 89 7.538 -5.694 -11.083 1.00 0.00 H new ATOM 0 HA2 GLY A 89 7.499 -3.563 -12.032 1.00 0.00 H new ATOM 0 HA3 GLY A 89 6.628 -2.956 -10.637 1.00 0.00 H new ATOM 1490 N PRO A 90 9.807 -3.801 -10.615 1.00 0.00 N ATOM 1491 CA PRO A 90 11.146 -3.499 -10.066 1.00 0.00 C ATOM 1492 C PRO A 90 11.686 -2.160 -10.572 1.00 0.00 C ATOM 1493 O PRO A 90 11.069 -1.486 -11.373 1.00 0.00 O ATOM 1494 CB PRO A 90 12.006 -4.669 -10.549 1.00 0.00 C ATOM 1495 CG PRO A 90 11.289 -5.186 -11.750 1.00 0.00 C ATOM 1496 CD PRO A 90 9.825 -5.003 -11.457 1.00 0.00 C ATOM 0 HA PRO A 90 11.136 -3.399 -8.981 1.00 0.00 H new ATOM 0 HB2 PRO A 90 13.016 -4.343 -10.799 1.00 0.00 H new ATOM 0 HB3 PRO A 90 12.100 -5.437 -9.781 1.00 0.00 H new ATOM 0 HG2 PRO A 90 11.581 -4.639 -12.646 1.00 0.00 H new ATOM 0 HG3 PRO A 90 11.525 -6.235 -11.926 1.00 0.00 H new ATOM 0 HD2 PRO A 90 9.244 -4.866 -12.369 1.00 0.00 H new ATOM 0 HD3 PRO A 90 9.406 -5.866 -10.939 1.00 0.00 H new ATOM 1504 N VAL A 91 12.840 -1.775 -10.098 1.00 0.00 N ATOM 1505 CA VAL A 91 13.442 -0.481 -10.529 1.00 0.00 C ATOM 1506 C VAL A 91 13.895 -0.569 -11.989 1.00 0.00 C ATOM 1507 O VAL A 91 15.004 -1.021 -12.219 1.00 0.00 O ATOM 1508 CB VAL A 91 14.646 -0.283 -9.605 1.00 0.00 C ATOM 1509 CG1 VAL A 91 15.109 1.173 -9.668 1.00 0.00 C ATOM 1510 CG2 VAL A 91 14.251 -0.626 -8.164 1.00 0.00 C ATOM 0 H VAL A 91 13.395 -2.305 -9.426 1.00 0.00 H new ATOM 0 HA VAL A 91 12.736 0.347 -10.466 1.00 0.00 H new ATOM 0 HB VAL A 91 15.456 -0.937 -9.927 1.00 0.00 H new ATOM 0 HG11 VAL A 91 15.966 1.311 -9.009 1.00 0.00 H new ATOM 0 HG12 VAL A 91 15.394 1.420 -10.691 1.00 0.00 H new ATOM 0 HG13 VAL A 91 14.297 1.827 -9.349 1.00 0.00 H new ATOM 0 HG21 VAL A 91 15.110 -0.484 -7.508 1.00 0.00 H new ATOM 0 HG22 VAL A 91 13.439 0.026 -7.844 1.00 0.00 H new ATOM 0 HG23 VAL A 91 13.923 -1.664 -8.114 1.00 0.00 H new