USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 499 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 38:sc= 0.349 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.0108 K(o=-0.011,f=-1.2!) USER MOD Single : A 12 ASN : amide:sc= -0.0864 X(o=-0.086,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.0974 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0305 USER MOD Single : A 24 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.802) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 96:sc= 1.12 USER MOD Single : A 36 LYS NZ :NH3+ 162:sc= -0.0108 (180deg=-0.155) USER MOD Single : A 37 GLN :FLIP amide:sc= -1.89 F(o=-2.7!,f=-1.9) USER MOD Single : A 44 SER OG : rot -179:sc= -0.188 USER MOD Single : A 46 GLN : amide:sc= -0.314 K(o=-0.31,f=-1.7) USER MOD Single : A 51 GLN : amide:sc= -0.142 X(o=-0.14,f=-0.14) USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 55 GLN : amide:sc= -0.0717 K(o=-0.072,f=-1.2) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 28:sc= 0.177 USER MOD Single : A 63 SER OG : rot 180:sc= -0.0867 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.736 21.262 -12.103 1.00 0.00 N ATOM 2 CA GLY A 1 12.047 20.710 -13.255 1.00 0.00 C ATOM 3 C GLY A 1 11.305 19.429 -12.929 1.00 0.00 C ATOM 4 O GLY A 1 10.502 19.389 -11.997 1.00 0.00 O ATOM 0 H1 GLY A 1 13.227 22.136 -12.378 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.046 21.474 -11.354 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.429 20.572 -11.750 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.342 21.447 -13.640 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.769 20.516 -14.048 1.00 0.00 H new ATOM 8 N SER A 2 11.574 18.379 -13.698 1.00 0.00 N ATOM 9 CA SER A 2 10.922 17.092 -13.490 1.00 0.00 C ATOM 10 C SER A 2 11.953 15.973 -13.373 1.00 0.00 C ATOM 11 O SER A 2 13.011 16.022 -14.001 1.00 0.00 O ATOM 12 CB SER A 2 9.956 16.793 -14.638 1.00 0.00 C ATOM 13 OG SER A 2 8.811 17.625 -14.571 1.00 0.00 O ATOM 0 H SER A 2 12.239 18.395 -14.471 1.00 0.00 H new ATOM 0 HA SER A 2 10.360 17.144 -12.557 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.462 16.942 -15.592 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.652 15.747 -14.599 1.00 0.00 H new ATOM 0 HG SER A 2 8.210 17.415 -15.316 1.00 0.00 H new ATOM 19 N SER A 3 11.637 14.966 -12.565 1.00 0.00 N ATOM 20 CA SER A 3 12.536 13.837 -12.363 1.00 0.00 C ATOM 21 C SER A 3 11.832 12.519 -12.672 1.00 0.00 C ATOM 22 O SER A 3 10.774 12.223 -12.118 1.00 0.00 O ATOM 23 CB SER A 3 13.057 13.824 -10.924 1.00 0.00 C ATOM 24 OG SER A 3 14.333 13.211 -10.849 1.00 0.00 O ATOM 0 H SER A 3 10.765 14.909 -12.040 1.00 0.00 H new ATOM 0 HA SER A 3 13.378 13.948 -13.046 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.118 14.845 -10.547 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.355 13.289 -10.285 1.00 0.00 H new ATOM 0 HG SER A 3 14.645 13.217 -9.920 1.00 0.00 H new ATOM 30 N GLY A 4 12.428 11.731 -13.562 1.00 0.00 N ATOM 31 CA GLY A 4 11.845 10.455 -13.931 1.00 0.00 C ATOM 32 C GLY A 4 12.789 9.294 -13.687 1.00 0.00 C ATOM 33 O GLY A 4 13.992 9.402 -13.927 1.00 0.00 O ATOM 0 H GLY A 4 13.304 11.954 -14.034 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.928 10.300 -13.362 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.566 10.477 -14.985 1.00 0.00 H new ATOM 37 N SER A 5 12.244 8.181 -13.206 1.00 0.00 N ATOM 38 CA SER A 5 13.047 6.997 -12.924 1.00 0.00 C ATOM 39 C SER A 5 12.837 5.930 -13.995 1.00 0.00 C ATOM 40 O SER A 5 11.726 5.432 -14.181 1.00 0.00 O ATOM 41 CB SER A 5 12.694 6.431 -11.548 1.00 0.00 C ATOM 42 OG SER A 5 11.316 6.110 -11.467 1.00 0.00 O ATOM 0 H SER A 5 11.250 8.075 -13.004 1.00 0.00 H new ATOM 0 HA SER A 5 14.097 7.291 -12.929 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.290 5.539 -11.354 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.947 7.158 -10.776 1.00 0.00 H new ATOM 0 HG SER A 5 11.016 5.739 -12.323 1.00 0.00 H new ATOM 48 N SER A 6 13.912 5.584 -14.696 1.00 0.00 N ATOM 49 CA SER A 6 13.846 4.579 -15.750 1.00 0.00 C ATOM 50 C SER A 6 12.964 3.407 -15.330 1.00 0.00 C ATOM 51 O SER A 6 12.106 2.958 -16.088 1.00 0.00 O ATOM 52 CB SER A 6 15.250 4.078 -16.096 1.00 0.00 C ATOM 53 OG SER A 6 16.063 5.134 -16.577 1.00 0.00 O ATOM 0 H SER A 6 14.839 5.985 -14.553 1.00 0.00 H new ATOM 0 HA SER A 6 13.406 5.043 -16.633 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.709 3.634 -15.213 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.184 3.293 -16.849 1.00 0.00 H new ATOM 0 HG SER A 6 16.955 4.789 -16.790 1.00 0.00 H new ATOM 59 N GLY A 7 13.185 2.916 -14.114 1.00 0.00 N ATOM 60 CA GLY A 7 12.404 1.800 -13.612 1.00 0.00 C ATOM 61 C GLY A 7 11.152 2.249 -12.884 1.00 0.00 C ATOM 62 O GLY A 7 11.230 2.930 -11.861 1.00 0.00 O ATOM 0 H GLY A 7 13.890 3.271 -13.468 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.125 1.153 -14.443 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.019 1.205 -12.937 1.00 0.00 H new ATOM 66 N THR A 8 9.993 1.869 -13.413 1.00 0.00 N ATOM 67 CA THR A 8 8.720 2.239 -12.808 1.00 0.00 C ATOM 68 C THR A 8 8.029 1.026 -12.195 1.00 0.00 C ATOM 69 O THR A 8 6.820 0.848 -12.341 1.00 0.00 O ATOM 70 CB THR A 8 7.776 2.886 -13.839 1.00 0.00 C ATOM 71 OG1 THR A 8 7.599 2.010 -14.959 1.00 0.00 O ATOM 72 CG2 THR A 8 8.328 4.221 -14.315 1.00 0.00 C ATOM 0 H THR A 8 9.910 1.305 -14.259 1.00 0.00 H new ATOM 0 HA THR A 8 8.941 2.963 -12.023 1.00 0.00 H new ATOM 0 HB THR A 8 6.813 3.060 -13.359 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.996 2.428 -15.609 1.00 0.00 H new ATOM 0 HG21 THR A 8 7.644 4.659 -15.042 1.00 0.00 H new ATOM 0 HG22 THR A 8 8.434 4.895 -13.465 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.302 4.067 -14.779 1.00 0.00 H new ATOM 80 N ALA A 9 8.805 0.195 -11.507 1.00 0.00 N ATOM 81 CA ALA A 9 8.267 -1.000 -10.868 1.00 0.00 C ATOM 82 C ALA A 9 8.394 -0.917 -9.351 1.00 0.00 C ATOM 83 O ALA A 9 8.238 -1.916 -8.651 1.00 0.00 O ATOM 84 CB ALA A 9 8.973 -2.242 -11.392 1.00 0.00 C ATOM 0 H ALA A 9 9.808 0.327 -11.378 1.00 0.00 H new ATOM 0 HA ALA A 9 7.207 -1.067 -11.114 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.561 -3.127 -10.906 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.825 -2.317 -12.469 1.00 0.00 H new ATOM 0 HB3 ALA A 9 10.039 -2.173 -11.176 1.00 0.00 H new ATOM 90 N GLN A 10 8.679 0.281 -8.851 1.00 0.00 N ATOM 91 CA GLN A 10 8.829 0.494 -7.416 1.00 0.00 C ATOM 92 C GLN A 10 7.571 0.064 -6.668 1.00 0.00 C ATOM 93 O GLN A 10 6.462 0.089 -7.203 1.00 0.00 O ATOM 94 CB GLN A 10 9.132 1.964 -7.126 1.00 0.00 C ATOM 95 CG GLN A 10 10.616 2.292 -7.133 1.00 0.00 C ATOM 96 CD GLN A 10 10.908 3.686 -6.613 1.00 0.00 C ATOM 97 OE1 GLN A 10 10.129 4.251 -5.846 1.00 0.00 O ATOM 98 NE2 GLN A 10 12.037 4.249 -7.030 1.00 0.00 N ATOM 0 H GLN A 10 8.811 1.119 -9.418 1.00 0.00 H new ATOM 0 HA GLN A 10 9.663 -0.116 -7.069 1.00 0.00 H new ATOM 0 HB2 GLN A 10 8.628 2.583 -7.868 1.00 0.00 H new ATOM 0 HB3 GLN A 10 8.715 2.228 -6.154 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.148 1.562 -6.523 1.00 0.00 H new ATOM 0 HG3 GLN A 10 11.000 2.199 -8.149 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.654 3.744 -7.666 1.00 0.00 H new ATOM 0 HE22 GLN A 10 12.287 5.186 -6.714 1.00 0.00 H new ATOM 107 N PRO A 11 7.744 -0.339 -5.401 1.00 0.00 N ATOM 108 CA PRO A 11 6.634 -0.782 -4.552 1.00 0.00 C ATOM 109 C PRO A 11 5.708 0.366 -4.163 1.00 0.00 C ATOM 110 O PRO A 11 4.525 0.158 -3.896 1.00 0.00 O ATOM 111 CB PRO A 11 7.336 -1.345 -3.314 1.00 0.00 C ATOM 112 CG PRO A 11 8.646 -0.637 -3.267 1.00 0.00 C ATOM 113 CD PRO A 11 9.037 -0.394 -4.699 1.00 0.00 C ATOM 0 HA PRO A 11 5.995 -1.503 -5.061 1.00 0.00 H new ATOM 0 HB2 PRO A 11 6.754 -1.161 -2.411 1.00 0.00 H new ATOM 0 HB3 PRO A 11 7.471 -2.424 -3.392 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.563 0.302 -2.720 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.397 -1.239 -2.754 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.595 0.536 -4.811 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.670 -1.194 -5.084 1.00 0.00 H new ATOM 121 N ASN A 12 6.255 1.577 -4.135 1.00 0.00 N ATOM 122 CA ASN A 12 5.477 2.758 -3.778 1.00 0.00 C ATOM 123 C ASN A 12 4.999 3.492 -5.028 1.00 0.00 C ATOM 124 O ASN A 12 3.838 3.889 -5.120 1.00 0.00 O ATOM 125 CB ASN A 12 6.311 3.700 -2.908 1.00 0.00 C ATOM 126 CG ASN A 12 7.257 2.952 -1.988 1.00 0.00 C ATOM 127 OD1 ASN A 12 8.450 3.248 -1.933 1.00 0.00 O ATOM 128 ND2 ASN A 12 6.726 1.976 -1.261 1.00 0.00 N ATOM 0 H ASN A 12 7.233 1.766 -4.355 1.00 0.00 H new ATOM 0 HA ASN A 12 4.604 2.431 -3.213 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.885 4.369 -3.549 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.645 4.324 -2.311 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.313 1.437 -0.624 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.731 1.765 -1.339 1.00 0.00 H new ATOM 135 N ALA A 13 5.902 3.667 -5.986 1.00 0.00 N ATOM 136 CA ALA A 13 5.572 4.350 -7.231 1.00 0.00 C ATOM 137 C ALA A 13 4.282 3.804 -7.832 1.00 0.00 C ATOM 138 O ALA A 13 3.414 4.566 -8.260 1.00 0.00 O ATOM 139 CB ALA A 13 6.717 4.218 -8.225 1.00 0.00 C ATOM 0 H ALA A 13 6.868 3.345 -5.924 1.00 0.00 H new ATOM 0 HA ALA A 13 5.419 5.406 -7.007 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.457 4.733 -9.150 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.618 4.663 -7.803 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.897 3.164 -8.435 1.00 0.00 H new ATOM 145 N ILE A 14 4.162 2.481 -7.861 1.00 0.00 N ATOM 146 CA ILE A 14 2.977 1.834 -8.410 1.00 0.00 C ATOM 147 C ILE A 14 1.746 2.129 -7.559 1.00 0.00 C ATOM 148 O ILE A 14 0.756 2.675 -8.048 1.00 0.00 O ATOM 149 CB ILE A 14 3.164 0.308 -8.510 1.00 0.00 C ATOM 150 CG1 ILE A 14 4.452 -0.021 -9.267 1.00 0.00 C ATOM 151 CG2 ILE A 14 1.964 -0.329 -9.194 1.00 0.00 C ATOM 152 CD1 ILE A 14 4.933 -1.440 -9.054 1.00 0.00 C ATOM 0 H ILE A 14 4.871 1.836 -7.511 1.00 0.00 H new ATOM 0 HA ILE A 14 2.830 2.240 -9.411 1.00 0.00 H new ATOM 0 HB ILE A 14 3.242 -0.100 -7.502 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.290 0.143 -10.332 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.235 0.670 -8.954 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.111 -1.407 -9.257 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.063 -0.119 -8.618 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.857 0.082 -10.198 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.850 -1.602 -9.621 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.128 -1.603 -7.994 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.168 -2.138 -9.394 1.00 0.00 H new ATOM 164 N LEU A 15 1.815 1.766 -6.283 1.00 0.00 N ATOM 165 CA LEU A 15 0.707 1.994 -5.362 1.00 0.00 C ATOM 166 C LEU A 15 0.180 3.420 -5.486 1.00 0.00 C ATOM 167 O LEU A 15 -1.029 3.646 -5.496 1.00 0.00 O ATOM 168 CB LEU A 15 1.150 1.724 -3.923 1.00 0.00 C ATOM 169 CG LEU A 15 0.967 0.292 -3.421 1.00 0.00 C ATOM 170 CD1 LEU A 15 1.793 0.056 -2.166 1.00 0.00 C ATOM 171 CD2 LEU A 15 -0.504 0.004 -3.156 1.00 0.00 C ATOM 0 H LEU A 15 2.626 1.313 -5.863 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.097 1.306 -5.623 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.204 1.987 -3.833 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.597 2.392 -3.263 1.00 0.00 H new ATOM 0 HG LEU A 15 1.317 -0.391 -4.195 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.650 -0.969 -1.824 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.847 0.220 -2.388 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.475 0.747 -1.386 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.616 -1.020 -2.799 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.880 0.694 -2.401 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.071 0.131 -4.078 1.00 0.00 H new ATOM 183 N GLU A 16 1.097 4.378 -5.581 1.00 0.00 N ATOM 184 CA GLU A 16 0.724 5.782 -5.706 1.00 0.00 C ATOM 185 C GLU A 16 0.005 6.038 -7.028 1.00 0.00 C ATOM 186 O GLU A 16 -0.842 6.927 -7.125 1.00 0.00 O ATOM 187 CB GLU A 16 1.963 6.673 -5.605 1.00 0.00 C ATOM 188 CG GLU A 16 1.665 8.076 -5.104 1.00 0.00 C ATOM 189 CD GLU A 16 2.911 8.807 -4.641 1.00 0.00 C ATOM 190 OE1 GLU A 16 3.744 8.183 -3.952 1.00 0.00 O ATOM 191 OE2 GLU A 16 3.052 10.004 -4.969 1.00 0.00 O ATOM 0 H GLU A 16 2.103 4.207 -5.574 1.00 0.00 H new ATOM 0 HA GLU A 16 0.044 6.025 -4.890 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.684 6.203 -4.936 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.434 6.739 -6.586 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.187 8.648 -5.899 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.954 8.020 -4.280 1.00 0.00 H new ATOM 198 N LYS A 17 0.350 5.255 -8.044 1.00 0.00 N ATOM 199 CA LYS A 17 -0.261 5.395 -9.360 1.00 0.00 C ATOM 200 C LYS A 17 -1.712 4.927 -9.339 1.00 0.00 C ATOM 201 O LYS A 17 -2.628 5.698 -9.626 1.00 0.00 O ATOM 202 CB LYS A 17 0.529 4.595 -10.399 1.00 0.00 C ATOM 203 CG LYS A 17 -0.121 4.573 -11.772 1.00 0.00 C ATOM 204 CD LYS A 17 0.775 3.905 -12.802 1.00 0.00 C ATOM 205 CE LYS A 17 1.699 4.910 -13.473 1.00 0.00 C ATOM 206 NZ LYS A 17 2.521 4.279 -14.542 1.00 0.00 N ATOM 0 H LYS A 17 1.050 4.516 -7.981 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.242 6.451 -9.631 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.530 5.018 -10.487 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.646 3.571 -10.045 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.072 4.043 -11.717 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.342 5.593 -12.087 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.369 3.128 -12.320 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.160 3.414 -13.557 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.107 5.719 -13.900 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.355 5.356 -12.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.137 4.996 -14.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.105 3.523 -14.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.895 3.876 -15.269 1.00 0.00 H new ATOM 220 N VAL A 18 -1.916 3.659 -8.996 1.00 0.00 N ATOM 221 CA VAL A 18 -3.256 3.089 -8.935 1.00 0.00 C ATOM 222 C VAL A 18 -4.124 3.832 -7.925 1.00 0.00 C ATOM 223 O VAL A 18 -5.334 3.616 -7.851 1.00 0.00 O ATOM 224 CB VAL A 18 -3.215 1.596 -8.559 1.00 0.00 C ATOM 225 CG1 VAL A 18 -4.620 1.070 -8.306 1.00 0.00 C ATOM 226 CG2 VAL A 18 -2.525 0.792 -9.650 1.00 0.00 C ATOM 0 H VAL A 18 -1.169 3.007 -8.756 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.689 3.194 -9.930 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.641 1.486 -7.639 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.571 0.014 -8.042 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.076 1.628 -7.488 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.222 1.191 -9.207 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.505 -0.261 -9.368 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.071 0.907 -10.587 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.505 1.153 -9.778 1.00 0.00 H new ATOM 236 N PHE A 19 -3.497 4.709 -7.147 1.00 0.00 N ATOM 237 CA PHE A 19 -4.212 5.485 -6.140 1.00 0.00 C ATOM 238 C PHE A 19 -4.930 6.671 -6.776 1.00 0.00 C ATOM 239 O PHE A 19 -5.901 7.192 -6.226 1.00 0.00 O ATOM 240 CB PHE A 19 -3.242 5.978 -5.064 1.00 0.00 C ATOM 241 CG PHE A 19 -3.921 6.683 -3.924 1.00 0.00 C ATOM 242 CD1 PHE A 19 -4.398 7.975 -4.076 1.00 0.00 C ATOM 243 CD2 PHE A 19 -4.080 6.054 -2.699 1.00 0.00 C ATOM 244 CE1 PHE A 19 -5.023 8.626 -3.029 1.00 0.00 C ATOM 245 CE2 PHE A 19 -4.705 6.699 -1.649 1.00 0.00 C ATOM 246 CZ PHE A 19 -5.175 7.988 -1.814 1.00 0.00 C ATOM 0 H PHE A 19 -2.496 4.900 -7.195 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.958 4.837 -5.679 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.682 5.128 -4.674 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.519 6.654 -5.520 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.280 8.479 -5.024 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.711 5.048 -2.564 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.392 9.632 -3.161 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.826 6.196 -0.701 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.661 8.496 -0.994 1.00 0.00 H new ATOM 256 N THR A 20 -4.445 7.095 -7.939 1.00 0.00 N ATOM 257 CA THR A 20 -5.039 8.221 -8.650 1.00 0.00 C ATOM 258 C THR A 20 -5.558 7.794 -10.018 1.00 0.00 C ATOM 259 O THR A 20 -6.658 8.172 -10.420 1.00 0.00 O ATOM 260 CB THR A 20 -4.026 9.367 -8.832 1.00 0.00 C ATOM 261 OG1 THR A 20 -3.014 8.982 -9.769 1.00 0.00 O ATOM 262 CG2 THR A 20 -3.381 9.735 -7.504 1.00 0.00 C ATOM 0 H THR A 20 -3.642 6.676 -8.409 1.00 0.00 H new ATOM 0 HA THR A 20 -5.872 8.576 -8.043 1.00 0.00 H new ATOM 0 HB THR A 20 -4.560 10.238 -9.212 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.375 9.716 -9.880 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.669 10.546 -7.658 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.151 10.055 -6.802 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.860 8.867 -7.100 1.00 0.00 H new ATOM 270 N ALA A 21 -4.760 7.005 -10.729 1.00 0.00 N ATOM 271 CA ALA A 21 -5.141 6.525 -12.052 1.00 0.00 C ATOM 272 C ALA A 21 -6.386 5.648 -11.980 1.00 0.00 C ATOM 273 O ALA A 21 -7.225 5.670 -12.881 1.00 0.00 O ATOM 274 CB ALA A 21 -3.990 5.760 -12.687 1.00 0.00 C ATOM 0 H ALA A 21 -3.845 6.684 -10.411 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.374 7.390 -12.673 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.288 5.407 -13.674 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.125 6.417 -12.782 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.730 4.907 -12.060 1.00 0.00 H new ATOM 280 N ILE A 22 -6.500 4.877 -10.904 1.00 0.00 N ATOM 281 CA ILE A 22 -7.643 3.993 -10.715 1.00 0.00 C ATOM 282 C ILE A 22 -8.606 4.555 -9.674 1.00 0.00 C ATOM 283 O ILE A 22 -9.743 4.909 -9.990 1.00 0.00 O ATOM 284 CB ILE A 22 -7.200 2.584 -10.281 1.00 0.00 C ATOM 285 CG1 ILE A 22 -6.154 2.033 -11.252 1.00 0.00 C ATOM 286 CG2 ILE A 22 -8.400 1.652 -10.201 1.00 0.00 C ATOM 287 CD1 ILE A 22 -6.601 2.052 -12.697 1.00 0.00 C ATOM 0 H ILE A 22 -5.814 4.847 -10.150 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.151 3.924 -11.677 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.750 2.650 -9.291 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.238 2.616 -11.156 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.911 1.009 -10.969 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.070 0.660 -9.893 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -9.114 2.039 -9.474 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.877 1.588 -11.179 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.810 1.647 -13.328 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.500 1.445 -12.808 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.816 3.077 -12.998 1.00 0.00 H new ATOM 299 N THR A 23 -8.144 4.635 -8.430 1.00 0.00 N ATOM 300 CA THR A 23 -8.963 5.153 -7.342 1.00 0.00 C ATOM 301 C THR A 23 -8.163 5.249 -6.049 1.00 0.00 C ATOM 302 O THR A 23 -7.128 4.599 -5.897 1.00 0.00 O ATOM 303 CB THR A 23 -10.202 4.271 -7.102 1.00 0.00 C ATOM 304 OG1 THR A 23 -11.079 4.902 -6.162 1.00 0.00 O ATOM 305 CG2 THR A 23 -9.798 2.899 -6.584 1.00 0.00 C ATOM 0 H THR A 23 -7.206 4.347 -8.151 1.00 0.00 H new ATOM 0 HA THR A 23 -9.288 6.150 -7.639 1.00 0.00 H new ATOM 0 HB THR A 23 -10.720 4.145 -8.053 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.865 4.335 -6.017 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.690 2.294 -6.422 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.155 2.409 -7.315 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.259 3.010 -5.643 1.00 0.00 H new ATOM 313 N LYS A 24 -8.648 6.062 -5.117 1.00 0.00 N ATOM 314 CA LYS A 24 -7.979 6.241 -3.833 1.00 0.00 C ATOM 315 C LYS A 24 -8.377 5.142 -2.854 1.00 0.00 C ATOM 316 O LYS A 24 -7.599 4.768 -1.976 1.00 0.00 O ATOM 317 CB LYS A 24 -8.321 7.612 -3.244 1.00 0.00 C ATOM 318 CG LYS A 24 -8.044 8.767 -4.191 1.00 0.00 C ATOM 319 CD LYS A 24 -8.607 10.073 -3.656 1.00 0.00 C ATOM 320 CE LYS A 24 -8.035 11.272 -4.398 1.00 0.00 C ATOM 321 NZ LYS A 24 -6.791 11.780 -3.756 1.00 0.00 N ATOM 0 H LYS A 24 -9.503 6.608 -5.226 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.904 6.182 -4.000 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.375 7.626 -2.966 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.748 7.758 -2.329 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.969 8.867 -4.340 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.482 8.553 -5.166 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.693 10.069 -3.752 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.381 10.160 -2.593 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.823 10.993 -5.430 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.779 12.068 -4.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.918 12.778 -3.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.588 11.222 -2.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.997 11.695 -4.422 1.00 0.00 H new ATOM 335 N HIS A 25 -9.592 4.626 -3.012 1.00 0.00 N ATOM 336 CA HIS A 25 -10.092 3.567 -2.142 1.00 0.00 C ATOM 337 C HIS A 25 -10.284 2.270 -2.921 1.00 0.00 C ATOM 338 O HIS A 25 -11.388 1.931 -3.348 1.00 0.00 O ATOM 339 CB HIS A 25 -11.413 3.989 -1.497 1.00 0.00 C ATOM 340 CG HIS A 25 -11.242 4.912 -0.330 1.00 0.00 C ATOM 341 ND1 HIS A 25 -11.187 4.472 0.976 1.00 0.00 N ATOM 342 CD2 HIS A 25 -11.111 6.258 -0.278 1.00 0.00 C ATOM 343 CE1 HIS A 25 -11.032 5.508 1.781 1.00 0.00 C ATOM 344 NE2 HIS A 25 -10.982 6.604 1.045 1.00 0.00 N ATOM 0 H HIS A 25 -10.248 4.924 -3.734 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.353 3.394 -1.359 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -12.035 4.477 -2.248 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -11.949 3.098 -1.170 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -11.108 6.934 -1.120 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -10.959 5.466 2.858 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -10.866 7.553 1.401 1.00 0.00 H new ATOM 353 N PRO A 26 -9.185 1.525 -3.113 1.00 0.00 N ATOM 354 CA PRO A 26 -9.207 0.254 -3.842 1.00 0.00 C ATOM 355 C PRO A 26 -9.935 -0.843 -3.072 1.00 0.00 C ATOM 356 O PRO A 26 -10.128 -0.740 -1.860 1.00 0.00 O ATOM 357 CB PRO A 26 -7.724 -0.094 -3.994 1.00 0.00 C ATOM 358 CG PRO A 26 -7.053 0.605 -2.862 1.00 0.00 C ATOM 359 CD PRO A 26 -7.836 1.868 -2.632 1.00 0.00 C ATOM 0 HA PRO A 26 -9.739 0.337 -4.790 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.563 -1.171 -3.945 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -7.335 0.244 -4.954 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.046 -0.018 -1.968 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.014 0.829 -3.103 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.844 2.150 -1.579 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.414 2.708 -3.183 1.00 0.00 H new ATOM 367 N ASP A 27 -10.335 -1.892 -3.782 1.00 0.00 N ATOM 368 CA ASP A 27 -11.040 -3.009 -3.165 1.00 0.00 C ATOM 369 C ASP A 27 -10.097 -4.186 -2.933 1.00 0.00 C ATOM 370 O ASP A 27 -8.914 -4.119 -3.265 1.00 0.00 O ATOM 371 CB ASP A 27 -12.214 -3.446 -4.042 1.00 0.00 C ATOM 372 CG ASP A 27 -13.311 -4.125 -3.245 1.00 0.00 C ATOM 373 OD1 ASP A 27 -13.206 -5.348 -3.013 1.00 0.00 O ATOM 374 OD2 ASP A 27 -14.274 -3.434 -2.854 1.00 0.00 O ATOM 0 H ASP A 27 -10.183 -1.992 -4.786 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.422 -2.676 -2.200 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -12.626 -2.576 -4.553 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.854 -4.127 -4.813 1.00 0.00 H new ATOM 379 N GLU A 28 -10.629 -5.260 -2.359 1.00 0.00 N ATOM 380 CA GLU A 28 -9.833 -6.450 -2.081 1.00 0.00 C ATOM 381 C GLU A 28 -9.188 -6.984 -3.356 1.00 0.00 C ATOM 382 O GLU A 28 -7.985 -7.242 -3.397 1.00 0.00 O ATOM 383 CB GLU A 28 -10.704 -7.535 -1.444 1.00 0.00 C ATOM 384 CG GLU A 28 -11.147 -7.207 -0.028 1.00 0.00 C ATOM 385 CD GLU A 28 -10.064 -7.474 0.999 1.00 0.00 C ATOM 386 OE1 GLU A 28 -8.971 -6.883 0.875 1.00 0.00 O ATOM 387 OE2 GLU A 28 -10.309 -8.273 1.927 1.00 0.00 O ATOM 0 H GLU A 28 -11.607 -5.331 -2.078 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.042 -6.172 -1.384 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.586 -7.692 -2.065 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.151 -8.474 -1.434 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.440 -6.158 0.023 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.030 -7.797 0.218 1.00 0.00 H new ATOM 394 N LYS A 29 -9.997 -7.147 -4.398 1.00 0.00 N ATOM 395 CA LYS A 29 -9.508 -7.649 -5.676 1.00 0.00 C ATOM 396 C LYS A 29 -8.367 -6.782 -6.200 1.00 0.00 C ATOM 397 O LYS A 29 -7.536 -7.241 -6.984 1.00 0.00 O ATOM 398 CB LYS A 29 -10.644 -7.689 -6.701 1.00 0.00 C ATOM 399 CG LYS A 29 -11.441 -8.982 -6.675 1.00 0.00 C ATOM 400 CD LYS A 29 -12.592 -8.908 -5.686 1.00 0.00 C ATOM 401 CE LYS A 29 -13.690 -7.977 -6.177 1.00 0.00 C ATOM 402 NZ LYS A 29 -14.926 -8.097 -5.356 1.00 0.00 N ATOM 0 H LYS A 29 -10.995 -6.938 -4.382 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.132 -8.660 -5.521 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.318 -6.853 -6.517 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.227 -7.549 -7.698 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.829 -9.191 -7.672 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.784 -9.810 -6.409 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.003 -9.905 -5.529 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.223 -8.560 -4.722 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.333 -6.947 -6.148 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.921 -8.205 -7.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -15.650 -7.447 -5.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.281 -9.073 -5.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.711 -7.855 -4.368 1.00 0.00 H new ATOM 416 N ARG A 30 -8.333 -5.528 -5.762 1.00 0.00 N ATOM 417 CA ARG A 30 -7.294 -4.597 -6.187 1.00 0.00 C ATOM 418 C ARG A 30 -5.983 -4.878 -5.460 1.00 0.00 C ATOM 419 O ARG A 30 -4.955 -5.136 -6.088 1.00 0.00 O ATOM 420 CB ARG A 30 -7.735 -3.155 -5.929 1.00 0.00 C ATOM 421 CG ARG A 30 -6.995 -2.132 -6.776 1.00 0.00 C ATOM 422 CD ARG A 30 -7.718 -1.869 -8.088 1.00 0.00 C ATOM 423 NE ARG A 30 -7.585 -2.986 -9.019 1.00 0.00 N ATOM 424 CZ ARG A 30 -6.449 -3.301 -9.633 1.00 0.00 C ATOM 425 NH1 ARG A 30 -5.354 -2.586 -9.414 1.00 0.00 N ATOM 426 NH2 ARG A 30 -6.407 -4.332 -10.466 1.00 0.00 N ATOM 0 H ARG A 30 -9.013 -5.133 -5.113 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.133 -4.734 -7.256 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.804 -3.070 -6.124 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.583 -2.920 -4.875 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.897 -1.200 -6.220 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.986 -2.489 -6.980 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.774 -1.686 -7.890 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.319 -0.965 -8.547 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.409 -3.556 -9.209 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -5.383 -1.793 -8.773 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -4.483 -2.829 -9.886 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.247 -4.885 -10.636 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.534 -4.572 -10.936 1.00 0.00 H new ATOM 440 N LEU A 31 -6.025 -4.826 -4.133 1.00 0.00 N ATOM 441 CA LEU A 31 -4.840 -5.074 -3.319 1.00 0.00 C ATOM 442 C LEU A 31 -4.182 -6.396 -3.704 1.00 0.00 C ATOM 443 O LEU A 31 -2.965 -6.469 -3.867 1.00 0.00 O ATOM 444 CB LEU A 31 -5.211 -5.089 -1.835 1.00 0.00 C ATOM 445 CG LEU A 31 -6.027 -3.897 -1.335 1.00 0.00 C ATOM 446 CD1 LEU A 31 -6.927 -4.312 -0.182 1.00 0.00 C ATOM 447 CD2 LEU A 31 -5.108 -2.759 -0.914 1.00 0.00 C ATOM 0 H LEU A 31 -6.867 -4.614 -3.598 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.129 -4.269 -3.501 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.774 -6.000 -1.631 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.292 -5.145 -1.252 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.657 -3.545 -2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.500 -3.450 0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.610 -5.093 -0.517 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.317 -4.691 0.638 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.707 -1.919 -0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.452 -3.099 -0.113 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.507 -2.443 -1.766 1.00 0.00 H new ATOM 459 N GLU A 32 -4.997 -7.436 -3.849 1.00 0.00 N ATOM 460 CA GLU A 32 -4.493 -8.755 -4.216 1.00 0.00 C ATOM 461 C GLU A 32 -3.705 -8.692 -5.521 1.00 0.00 C ATOM 462 O GLU A 32 -2.757 -9.449 -5.724 1.00 0.00 O ATOM 463 CB GLU A 32 -5.649 -9.747 -4.352 1.00 0.00 C ATOM 464 CG GLU A 32 -6.582 -9.440 -5.511 1.00 0.00 C ATOM 465 CD GLU A 32 -7.532 -10.582 -5.815 1.00 0.00 C ATOM 466 OE1 GLU A 32 -8.316 -10.955 -4.917 1.00 0.00 O ATOM 467 OE2 GLU A 32 -7.491 -11.103 -6.949 1.00 0.00 O ATOM 0 H GLU A 32 -6.008 -7.391 -3.718 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.825 -9.094 -3.424 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.242 -10.750 -4.480 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.223 -9.752 -3.426 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.159 -8.544 -5.280 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.991 -9.218 -6.399 1.00 0.00 H new ATOM 474 N GLY A 33 -4.107 -7.782 -6.405 1.00 0.00 N ATOM 475 CA GLY A 33 -3.429 -7.637 -7.680 1.00 0.00 C ATOM 476 C GLY A 33 -2.028 -7.079 -7.531 1.00 0.00 C ATOM 477 O GLY A 33 -1.070 -7.632 -8.074 1.00 0.00 O ATOM 0 H GLY A 33 -4.889 -7.144 -6.260 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.380 -8.607 -8.174 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.012 -6.980 -8.325 1.00 0.00 H new ATOM 481 N LEU A 34 -1.906 -5.979 -6.796 1.00 0.00 N ATOM 482 CA LEU A 34 -0.611 -5.344 -6.579 1.00 0.00 C ATOM 483 C LEU A 34 0.360 -6.304 -5.900 1.00 0.00 C ATOM 484 O LEU A 34 1.553 -6.315 -6.205 1.00 0.00 O ATOM 485 CB LEU A 34 -0.776 -4.082 -5.730 1.00 0.00 C ATOM 486 CG LEU A 34 -1.209 -2.821 -6.478 1.00 0.00 C ATOM 487 CD1 LEU A 34 -1.711 -1.768 -5.502 1.00 0.00 C ATOM 488 CD2 LEU A 34 -0.060 -2.274 -7.312 1.00 0.00 C ATOM 0 H LEU A 34 -2.688 -5.509 -6.340 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.201 -5.070 -7.551 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.509 -4.287 -4.950 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.172 -3.877 -5.232 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.026 -3.083 -7.150 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.015 -0.877 -6.052 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.564 -2.162 -4.949 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.914 -1.509 -4.804 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.387 -1.377 -7.837 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.778 -2.028 -6.660 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.253 -3.025 -8.037 1.00 0.00 H new ATOM 500 N SER A 35 -0.159 -7.111 -4.981 1.00 0.00 N ATOM 501 CA SER A 35 0.662 -8.075 -4.258 1.00 0.00 C ATOM 502 C SER A 35 1.755 -8.641 -5.159 1.00 0.00 C ATOM 503 O SER A 35 2.875 -8.894 -4.713 1.00 0.00 O ATOM 504 CB SER A 35 -0.207 -9.212 -3.715 1.00 0.00 C ATOM 505 OG SER A 35 0.591 -10.245 -3.164 1.00 0.00 O ATOM 0 H SER A 35 -1.145 -7.117 -4.719 1.00 0.00 H new ATOM 0 HA SER A 35 1.135 -7.558 -3.423 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.883 -8.825 -2.953 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.827 -9.615 -4.516 1.00 0.00 H new ATOM 0 HG SER A 35 0.665 -10.120 -2.195 1.00 0.00 H new ATOM 511 N LYS A 36 1.423 -8.839 -6.430 1.00 0.00 N ATOM 512 CA LYS A 36 2.374 -9.374 -7.396 1.00 0.00 C ATOM 513 C LYS A 36 3.594 -8.466 -7.518 1.00 0.00 C ATOM 514 O LYS A 36 4.727 -8.904 -7.318 1.00 0.00 O ATOM 515 CB LYS A 36 1.707 -9.537 -8.764 1.00 0.00 C ATOM 516 CG LYS A 36 2.649 -10.039 -9.844 1.00 0.00 C ATOM 517 CD LYS A 36 2.107 -9.750 -11.234 1.00 0.00 C ATOM 518 CE LYS A 36 2.531 -8.373 -11.723 1.00 0.00 C ATOM 519 NZ LYS A 36 3.977 -8.331 -12.075 1.00 0.00 N ATOM 0 H LYS A 36 0.501 -8.636 -6.815 1.00 0.00 H new ATOM 0 HA LYS A 36 2.703 -10.351 -7.041 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.872 -10.231 -8.671 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.292 -8.578 -9.073 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.624 -9.566 -9.727 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.800 -11.112 -9.727 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.463 -10.510 -11.930 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.019 -9.814 -11.222 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.937 -8.098 -12.595 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.324 -7.633 -10.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.164 -7.503 -12.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.544 -8.263 -11.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.234 -9.197 -12.590 1.00 0.00 H new ATOM 533 N GLN A 37 3.353 -7.201 -7.847 1.00 0.00 N ATOM 534 CA GLN A 37 4.433 -6.232 -7.995 1.00 0.00 C ATOM 535 C GLN A 37 5.079 -5.927 -6.647 1.00 0.00 C ATOM 536 O GLN A 37 6.296 -6.035 -6.492 1.00 0.00 O ATOM 537 CB GLN A 37 3.906 -4.941 -8.625 1.00 0.00 C ATOM 538 CG GLN A 37 3.228 -5.153 -9.968 1.00 0.00 C ATOM 539 CD GLN A 37 3.243 -3.908 -10.832 1.00 0.00 C ATOM 540 OE1 GLN A 37 4.434 -3.483 -11.239 1.00 0.00 O flip ATOM 541 NE2 GLN A 37 2.196 -3.333 -11.132 1.00 0.00 N flip ATOM 0 H GLN A 37 2.421 -6.823 -8.016 1.00 0.00 H new ATOM 0 HA GLN A 37 5.189 -6.665 -8.650 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.198 -4.475 -7.940 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.734 -4.244 -8.751 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.726 -5.965 -10.498 1.00 0.00 H new ATOM 0 HG3 GLN A 37 2.196 -5.465 -9.805 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.302 -3.694 -10.798 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.223 -2.496 -11.715 1.00 0.00 H new ATOM 550 N LEU A 38 4.258 -5.546 -5.676 1.00 0.00 N ATOM 551 CA LEU A 38 4.749 -5.225 -4.340 1.00 0.00 C ATOM 552 C LEU A 38 5.350 -6.456 -3.670 1.00 0.00 C ATOM 553 O LEU A 38 6.227 -6.344 -2.813 1.00 0.00 O ATOM 554 CB LEU A 38 3.616 -4.664 -3.479 1.00 0.00 C ATOM 555 CG LEU A 38 2.695 -3.650 -4.159 1.00 0.00 C ATOM 556 CD1 LEU A 38 1.589 -3.213 -3.211 1.00 0.00 C ATOM 557 CD2 LEU A 38 3.491 -2.448 -4.644 1.00 0.00 C ATOM 0 H LEU A 38 3.249 -5.451 -5.788 1.00 0.00 H new ATOM 0 HA LEU A 38 5.529 -4.470 -4.439 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.008 -5.497 -3.126 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.054 -4.194 -2.599 1.00 0.00 H new ATOM 0 HG LEU A 38 2.235 -4.129 -5.024 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.944 -2.492 -3.712 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.000 -4.081 -2.914 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.029 -2.753 -2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.819 -1.737 -5.125 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.979 -1.969 -3.796 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.245 -2.776 -5.359 1.00 0.00 H new ATOM 569 N ASP A 39 4.875 -7.631 -4.069 1.00 0.00 N ATOM 570 CA ASP A 39 5.367 -8.885 -3.509 1.00 0.00 C ATOM 571 C ASP A 39 5.048 -8.979 -2.021 1.00 0.00 C ATOM 572 O ASP A 39 5.752 -9.649 -1.266 1.00 0.00 O ATOM 573 CB ASP A 39 6.876 -9.007 -3.728 1.00 0.00 C ATOM 574 CG ASP A 39 7.218 -9.691 -5.038 1.00 0.00 C ATOM 575 OD1 ASP A 39 7.309 -10.936 -5.051 1.00 0.00 O ATOM 576 OD2 ASP A 39 7.392 -8.980 -6.049 1.00 0.00 O ATOM 0 H ASP A 39 4.150 -7.741 -4.778 1.00 0.00 H new ATOM 0 HA ASP A 39 4.864 -9.705 -4.022 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.324 -8.013 -3.713 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.316 -9.568 -2.903 1.00 0.00 H new ATOM 581 N TRP A 40 3.983 -8.302 -1.606 1.00 0.00 N ATOM 582 CA TRP A 40 3.570 -8.309 -0.207 1.00 0.00 C ATOM 583 C TRP A 40 2.217 -8.991 -0.042 1.00 0.00 C ATOM 584 O TRP A 40 1.601 -9.413 -1.020 1.00 0.00 O ATOM 585 CB TRP A 40 3.504 -6.879 0.333 1.00 0.00 C ATOM 586 CG TRP A 40 4.719 -6.064 0.007 1.00 0.00 C ATOM 587 CD1 TRP A 40 5.967 -6.535 -0.287 1.00 0.00 C ATOM 588 CD2 TRP A 40 4.802 -4.636 -0.057 1.00 0.00 C ATOM 589 NE1 TRP A 40 6.820 -5.486 -0.529 1.00 0.00 N ATOM 590 CE2 TRP A 40 6.130 -4.310 -0.395 1.00 0.00 C ATOM 591 CE3 TRP A 40 3.883 -3.602 0.137 1.00 0.00 C ATOM 592 CZ2 TRP A 40 6.558 -2.994 -0.542 1.00 0.00 C ATOM 593 CZ3 TRP A 40 4.310 -2.296 -0.008 1.00 0.00 C ATOM 594 CH2 TRP A 40 5.638 -2.001 -0.346 1.00 0.00 C ATOM 0 H TRP A 40 3.390 -7.741 -2.218 1.00 0.00 H new ATOM 0 HA TRP A 40 4.310 -8.871 0.362 1.00 0.00 H new ATOM 0 HB2 TRP A 40 2.623 -6.384 -0.076 1.00 0.00 H new ATOM 0 HB3 TRP A 40 3.377 -6.912 1.415 1.00 0.00 H new ATOM 0 HD1 TRP A 40 6.242 -7.579 -0.324 1.00 0.00 H new ATOM 0 HE1 TRP A 40 7.808 -5.569 -0.770 1.00 0.00 H new ATOM 0 HE3 TRP A 40 2.857 -3.820 0.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 7.581 -2.765 -0.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 3.609 -1.489 0.142 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.941 -0.970 -0.454 1.00 0.00 H new ATOM 605 N ASP A 41 1.760 -9.095 1.201 1.00 0.00 N ATOM 606 CA ASP A 41 0.477 -9.725 1.494 1.00 0.00 C ATOM 607 C ASP A 41 -0.675 -8.759 1.235 1.00 0.00 C ATOM 608 O ASP A 41 -0.557 -7.557 1.476 1.00 0.00 O ATOM 609 CB ASP A 41 0.441 -10.204 2.946 1.00 0.00 C ATOM 610 CG ASP A 41 1.676 -10.997 3.325 1.00 0.00 C ATOM 611 OD1 ASP A 41 1.827 -12.134 2.832 1.00 0.00 O ATOM 612 OD2 ASP A 41 2.493 -10.479 4.115 1.00 0.00 O ATOM 0 H ASP A 41 2.258 -8.751 2.022 1.00 0.00 H new ATOM 0 HA ASP A 41 0.362 -10.584 0.833 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.349 -9.343 3.607 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.445 -10.821 3.100 1.00 0.00 H new ATOM 617 N VAL A 42 -1.788 -9.292 0.741 1.00 0.00 N ATOM 618 CA VAL A 42 -2.961 -8.477 0.449 1.00 0.00 C ATOM 619 C VAL A 42 -3.216 -7.463 1.559 1.00 0.00 C ATOM 620 O VAL A 42 -3.696 -6.358 1.306 1.00 0.00 O ATOM 621 CB VAL A 42 -4.218 -9.349 0.267 1.00 0.00 C ATOM 622 CG1 VAL A 42 -5.426 -8.483 -0.056 1.00 0.00 C ATOM 623 CG2 VAL A 42 -3.991 -10.388 -0.821 1.00 0.00 C ATOM 0 H VAL A 42 -1.902 -10.284 0.535 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.756 -7.948 -0.482 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.416 -9.872 1.203 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.304 -9.116 -0.181 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.598 -7.780 0.759 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.242 -7.931 -0.978 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.889 -10.996 -0.937 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.769 -9.886 -1.763 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.153 -11.028 -0.544 1.00 0.00 H new ATOM 633 N ARG A 43 -2.892 -7.846 2.789 1.00 0.00 N ATOM 634 CA ARG A 43 -3.086 -6.971 3.939 1.00 0.00 C ATOM 635 C ARG A 43 -1.912 -6.009 4.094 1.00 0.00 C ATOM 636 O ARG A 43 -2.088 -4.859 4.498 1.00 0.00 O ATOM 637 CB ARG A 43 -3.254 -7.798 5.214 1.00 0.00 C ATOM 638 CG ARG A 43 -4.548 -8.595 5.258 1.00 0.00 C ATOM 639 CD ARG A 43 -4.661 -9.403 6.542 1.00 0.00 C ATOM 640 NE ARG A 43 -3.598 -10.398 6.658 1.00 0.00 N ATOM 641 CZ ARG A 43 -3.617 -11.395 7.535 1.00 0.00 C ATOM 642 NH1 ARG A 43 -4.640 -11.529 8.369 1.00 0.00 N ATOM 643 NH2 ARG A 43 -2.613 -12.260 7.580 1.00 0.00 N ATOM 0 H ARG A 43 -2.494 -8.757 3.015 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.992 -6.388 3.771 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.412 -8.484 5.306 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.218 -7.132 6.076 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.397 -7.917 5.178 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.593 -9.265 4.400 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.622 -8.730 7.398 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.630 -9.902 6.572 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.797 -10.323 6.031 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.414 -10.865 8.337 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.652 -12.296 9.042 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.825 -12.160 6.940 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.629 -13.025 8.254 1.00 0.00 H new ATOM 657 N SER A 44 -0.715 -6.487 3.772 1.00 0.00 N ATOM 658 CA SER A 44 0.489 -5.672 3.880 1.00 0.00 C ATOM 659 C SER A 44 0.395 -4.442 2.981 1.00 0.00 C ATOM 660 O SER A 44 0.971 -3.396 3.280 1.00 0.00 O ATOM 661 CB SER A 44 1.724 -6.495 3.508 1.00 0.00 C ATOM 662 OG SER A 44 1.871 -7.611 4.370 1.00 0.00 O ATOM 0 H SER A 44 -0.553 -7.436 3.434 1.00 0.00 H new ATOM 0 HA SER A 44 0.581 -5.340 4.914 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.640 -6.837 2.476 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.614 -5.868 3.565 1.00 0.00 H new ATOM 0 HG SER A 44 2.675 -8.113 4.121 1.00 0.00 H new ATOM 668 N ILE A 45 -0.335 -4.578 1.879 1.00 0.00 N ATOM 669 CA ILE A 45 -0.507 -3.479 0.937 1.00 0.00 C ATOM 670 C ILE A 45 -1.344 -2.359 1.545 1.00 0.00 C ATOM 671 O ILE A 45 -0.934 -1.198 1.550 1.00 0.00 O ATOM 672 CB ILE A 45 -1.175 -3.954 -0.367 1.00 0.00 C ATOM 673 CG1 ILE A 45 -0.428 -5.161 -0.938 1.00 0.00 C ATOM 674 CG2 ILE A 45 -1.220 -2.822 -1.382 1.00 0.00 C ATOM 675 CD1 ILE A 45 -1.091 -5.759 -2.160 1.00 0.00 C ATOM 0 H ILE A 45 -0.817 -5.438 1.617 1.00 0.00 H new ATOM 0 HA ILE A 45 0.490 -3.101 0.708 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.198 -4.256 -0.145 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.588 -4.861 -1.196 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.348 -5.927 -0.167 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.695 -3.173 -2.298 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.792 -1.989 -0.973 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.205 -2.491 -1.603 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.507 -6.610 -2.511 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.097 -6.090 -1.903 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.147 -5.008 -2.948 1.00 0.00 H new ATOM 687 N GLN A 46 -2.517 -2.715 2.058 1.00 0.00 N ATOM 688 CA GLN A 46 -3.411 -1.740 2.670 1.00 0.00 C ATOM 689 C GLN A 46 -2.632 -0.760 3.543 1.00 0.00 C ATOM 690 O GLN A 46 -2.836 0.451 3.466 1.00 0.00 O ATOM 691 CB GLN A 46 -4.478 -2.448 3.505 1.00 0.00 C ATOM 692 CG GLN A 46 -5.483 -3.229 2.673 1.00 0.00 C ATOM 693 CD GLN A 46 -6.282 -4.218 3.499 1.00 0.00 C ATOM 694 OE1 GLN A 46 -5.744 -4.878 4.389 1.00 0.00 O ATOM 695 NE2 GLN A 46 -7.573 -4.326 3.209 1.00 0.00 N ATOM 0 H GLN A 46 -2.870 -3.672 2.062 1.00 0.00 H new ATOM 0 HA GLN A 46 -3.898 -1.180 1.872 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -3.989 -3.128 4.202 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -5.010 -1.708 4.102 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.166 -2.532 2.187 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.957 -3.764 1.882 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -7.977 -3.760 2.463 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -8.161 -4.975 3.732 1.00 0.00 H new ATOM 704 N ARG A 47 -1.741 -1.294 4.372 1.00 0.00 N ATOM 705 CA ARG A 47 -0.933 -0.467 5.260 1.00 0.00 C ATOM 706 C ARG A 47 -0.411 0.767 4.529 1.00 0.00 C ATOM 707 O ARG A 47 -0.405 1.869 5.078 1.00 0.00 O ATOM 708 CB ARG A 47 0.238 -1.276 5.819 1.00 0.00 C ATOM 709 CG ARG A 47 -0.158 -2.234 6.931 1.00 0.00 C ATOM 710 CD ARG A 47 1.060 -2.768 7.667 1.00 0.00 C ATOM 711 NE ARG A 47 0.708 -3.346 8.961 1.00 0.00 N ATOM 712 CZ ARG A 47 1.581 -3.531 9.945 1.00 0.00 C ATOM 713 NH1 ARG A 47 2.851 -3.185 9.784 1.00 0.00 N ATOM 714 NH2 ARG A 47 1.184 -4.063 11.094 1.00 0.00 N ATOM 0 H ARG A 47 -1.561 -2.295 4.447 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.565 -0.138 6.085 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.696 -1.843 5.009 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.996 -0.589 6.196 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.815 -1.724 7.635 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.724 -3.066 6.512 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.551 -3.524 7.054 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.778 -1.961 7.814 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.261 -3.623 9.118 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.160 -2.775 8.903 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.519 -3.328 10.542 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.208 -4.330 11.222 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.855 -4.205 11.849 1.00 0.00 H new ATOM 728 N TRP A 48 0.025 0.573 3.290 1.00 0.00 N ATOM 729 CA TRP A 48 0.550 1.669 2.485 1.00 0.00 C ATOM 730 C TRP A 48 -0.569 2.608 2.047 1.00 0.00 C ATOM 731 O TRP A 48 -0.435 3.829 2.125 1.00 0.00 O ATOM 732 CB TRP A 48 1.283 1.123 1.258 1.00 0.00 C ATOM 733 CG TRP A 48 2.008 2.180 0.480 1.00 0.00 C ATOM 734 CD1 TRP A 48 3.350 2.433 0.495 1.00 0.00 C ATOM 735 CD2 TRP A 48 1.429 3.125 -0.426 1.00 0.00 C ATOM 736 NE1 TRP A 48 3.640 3.479 -0.347 1.00 0.00 N ATOM 737 CE2 TRP A 48 2.479 3.921 -0.925 1.00 0.00 C ATOM 738 CE3 TRP A 48 0.127 3.376 -0.866 1.00 0.00 C ATOM 739 CZ2 TRP A 48 2.264 4.948 -1.839 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -0.085 4.396 -1.774 1.00 0.00 C ATOM 741 CH2 TRP A 48 0.979 5.172 -2.253 1.00 0.00 C ATOM 0 H TRP A 48 0.025 -0.333 2.821 1.00 0.00 H new ATOM 0 HA TRP A 48 1.253 2.233 3.099 1.00 0.00 H new ATOM 0 HB2 TRP A 48 1.997 0.364 1.578 1.00 0.00 H new ATOM 0 HB3 TRP A 48 0.564 0.629 0.604 1.00 0.00 H new ATOM 0 HD1 TRP A 48 4.076 1.891 1.082 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.569 3.864 -0.515 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.699 2.783 -0.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 3.083 5.547 -2.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -1.088 4.599 -2.120 1.00 0.00 H new ATOM 0 HH2 TRP A 48 0.781 5.962 -2.962 1.00 0.00 H new ATOM 752 N PHE A 49 -1.674 2.030 1.588 1.00 0.00 N ATOM 753 CA PHE A 49 -2.817 2.815 1.137 1.00 0.00 C ATOM 754 C PHE A 49 -3.372 3.669 2.273 1.00 0.00 C ATOM 755 O PHE A 49 -3.439 4.894 2.169 1.00 0.00 O ATOM 756 CB PHE A 49 -3.912 1.896 0.592 1.00 0.00 C ATOM 757 CG PHE A 49 -3.790 1.625 -0.880 1.00 0.00 C ATOM 758 CD1 PHE A 49 -4.129 2.598 -1.807 1.00 0.00 C ATOM 759 CD2 PHE A 49 -3.336 0.399 -1.337 1.00 0.00 C ATOM 760 CE1 PHE A 49 -4.019 2.351 -3.162 1.00 0.00 C ATOM 761 CE2 PHE A 49 -3.223 0.146 -2.692 1.00 0.00 C ATOM 762 CZ PHE A 49 -3.564 1.124 -3.605 1.00 0.00 C ATOM 0 H PHE A 49 -1.802 1.020 1.519 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.479 3.477 0.340 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.882 0.949 1.131 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.885 2.346 0.791 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.483 3.560 -1.466 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.067 -0.369 -0.627 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -4.289 3.117 -3.874 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.869 -0.815 -3.035 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.475 0.930 -4.664 1.00 0.00 H new ATOM 772 N ARG A 50 -3.771 3.012 3.358 1.00 0.00 N ATOM 773 CA ARG A 50 -4.322 3.709 4.514 1.00 0.00 C ATOM 774 C ARG A 50 -3.364 4.791 5.004 1.00 0.00 C ATOM 775 O ARG A 50 -3.784 5.894 5.352 1.00 0.00 O ATOM 776 CB ARG A 50 -4.612 2.719 5.643 1.00 0.00 C ATOM 777 CG ARG A 50 -3.361 2.108 6.253 1.00 0.00 C ATOM 778 CD ARG A 50 -3.698 1.221 7.442 1.00 0.00 C ATOM 779 NE ARG A 50 -3.724 1.971 8.694 1.00 0.00 N ATOM 780 CZ ARG A 50 -4.023 1.428 9.870 1.00 0.00 C ATOM 781 NH1 ARG A 50 -4.317 0.138 9.952 1.00 0.00 N ATOM 782 NH2 ARG A 50 -4.026 2.176 10.966 1.00 0.00 N ATOM 0 H ARG A 50 -3.723 1.998 3.460 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.254 4.185 4.210 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.176 3.228 6.425 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.247 1.920 5.260 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.835 1.523 5.498 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.684 2.902 6.570 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.668 0.752 7.280 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.964 0.419 7.515 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.501 2.966 8.665 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.314 -0.440 9.112 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.546 -0.276 10.855 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.799 3.169 10.907 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.256 1.758 11.868 1.00 0.00 H new ATOM 796 N GLN A 51 -2.075 4.465 5.030 1.00 0.00 N ATOM 797 CA GLN A 51 -1.059 5.409 5.479 1.00 0.00 C ATOM 798 C GLN A 51 -0.933 6.578 4.508 1.00 0.00 C ATOM 799 O GLN A 51 -0.842 7.734 4.921 1.00 0.00 O ATOM 800 CB GLN A 51 0.291 4.705 5.625 1.00 0.00 C ATOM 801 CG GLN A 51 0.449 3.956 6.939 1.00 0.00 C ATOM 802 CD GLN A 51 0.502 4.885 8.137 1.00 0.00 C ATOM 803 OE1 GLN A 51 -0.387 4.870 8.988 1.00 0.00 O ATOM 804 NE2 GLN A 51 1.549 5.699 8.208 1.00 0.00 N ATOM 0 H GLN A 51 -1.711 3.556 4.746 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.366 5.799 6.450 1.00 0.00 H new ATOM 0 HB2 GLN A 51 0.417 4.004 4.800 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.088 5.444 5.540 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.382 3.261 7.059 1.00 0.00 H new ATOM 0 HG3 GLN A 51 1.361 3.360 6.906 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.262 5.677 7.479 1.00 0.00 H new ATOM 0 HE22 GLN A 51 1.640 6.346 8.991 1.00 0.00 H new ATOM 813 N ARG A 52 -0.930 6.269 3.215 1.00 0.00 N ATOM 814 CA ARG A 52 -0.814 7.294 2.185 1.00 0.00 C ATOM 815 C ARG A 52 -1.927 8.329 2.321 1.00 0.00 C ATOM 816 O ARG A 52 -1.665 9.509 2.555 1.00 0.00 O ATOM 817 CB ARG A 52 -0.861 6.658 0.795 1.00 0.00 C ATOM 818 CG ARG A 52 -0.830 7.669 -0.339 1.00 0.00 C ATOM 819 CD ARG A 52 0.513 8.379 -0.415 1.00 0.00 C ATOM 820 NE ARG A 52 0.432 9.623 -1.175 1.00 0.00 N ATOM 821 CZ ARG A 52 1.316 10.609 -1.067 1.00 0.00 C ATOM 822 NH1 ARG A 52 2.341 10.496 -0.234 1.00 0.00 N ATOM 823 NH2 ARG A 52 1.174 11.711 -1.793 1.00 0.00 N ATOM 0 H ARG A 52 -1.007 5.317 2.856 1.00 0.00 H new ATOM 0 HA ARG A 52 0.144 7.797 2.314 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.016 5.978 0.687 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.767 6.057 0.710 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.030 7.164 -1.284 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.623 8.403 -0.196 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.868 8.593 0.593 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.246 7.719 -0.878 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.346 9.742 -1.824 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.452 9.651 0.326 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.018 11.254 -0.153 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.386 11.801 -2.434 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.853 12.468 -1.710 1.00 0.00 H new ATOM 837 N ARG A 53 -3.168 7.879 2.173 1.00 0.00 N ATOM 838 CA ARG A 53 -4.321 8.766 2.277 1.00 0.00 C ATOM 839 C ARG A 53 -4.106 9.810 3.368 1.00 0.00 C ATOM 840 O ARG A 53 -4.152 11.012 3.109 1.00 0.00 O ATOM 841 CB ARG A 53 -5.587 7.959 2.570 1.00 0.00 C ATOM 842 CG ARG A 53 -5.916 6.931 1.500 1.00 0.00 C ATOM 843 CD ARG A 53 -7.019 5.988 1.953 1.00 0.00 C ATOM 844 NE ARG A 53 -6.923 4.682 1.308 1.00 0.00 N ATOM 845 CZ ARG A 53 -7.545 3.595 1.752 1.00 0.00 C ATOM 846 NH1 ARG A 53 -8.306 3.659 2.836 1.00 0.00 N ATOM 847 NH2 ARG A 53 -7.408 2.442 1.110 1.00 0.00 N ATOM 0 H ARG A 53 -3.402 6.905 1.981 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.440 9.281 1.324 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.470 7.450 3.527 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.428 8.644 2.674 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.224 7.441 0.587 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.022 6.357 1.258 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.967 5.863 3.035 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.989 6.432 1.730 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.347 4.599 0.470 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.415 4.544 3.331 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.782 2.823 3.175 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.825 2.389 0.275 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.886 1.608 1.452 1.00 0.00 H new ATOM 861 N ASN A 54 -3.872 9.342 4.590 1.00 0.00 N ATOM 862 CA ASN A 54 -3.651 10.236 5.721 1.00 0.00 C ATOM 863 C ASN A 54 -2.823 11.447 5.304 1.00 0.00 C ATOM 864 O ASN A 54 -3.138 12.580 5.666 1.00 0.00 O ATOM 865 CB ASN A 54 -2.947 9.490 6.857 1.00 0.00 C ATOM 866 CG ASN A 54 -2.741 10.362 8.080 1.00 0.00 C ATOM 867 OD1 ASN A 54 -3.451 11.347 8.281 1.00 0.00 O ATOM 868 ND2 ASN A 54 -1.764 10.003 8.905 1.00 0.00 N ATOM 0 H ASN A 54 -3.831 8.350 4.822 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.622 10.586 6.071 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -3.535 8.615 7.133 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.981 9.127 6.506 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.578 10.552 9.744 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.200 9.179 8.699 1.00 0.00 H new ATOM 875 N GLN A 55 -1.764 11.199 4.540 1.00 0.00 N ATOM 876 CA GLN A 55 -0.891 12.270 4.073 1.00 0.00 C ATOM 877 C GLN A 55 -1.698 13.374 3.398 1.00 0.00 C ATOM 878 O GLN A 55 -1.517 14.555 3.692 1.00 0.00 O ATOM 879 CB GLN A 55 0.154 11.718 3.102 1.00 0.00 C ATOM 880 CG GLN A 55 1.030 10.632 3.704 1.00 0.00 C ATOM 881 CD GLN A 55 1.851 11.128 4.878 1.00 0.00 C ATOM 882 OE1 GLN A 55 2.100 12.327 5.014 1.00 0.00 O ATOM 883 NE2 GLN A 55 2.278 10.207 5.734 1.00 0.00 N ATOM 0 H GLN A 55 -1.490 10.266 4.231 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.383 12.694 4.939 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.353 11.319 2.224 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.788 12.536 2.760 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.402 9.803 4.029 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.699 10.243 2.936 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.048 9.225 5.583 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.836 10.482 6.543 1.00 0.00 H new ATOM 892 N GLU A 56 -2.586 12.981 2.491 1.00 0.00 N ATOM 893 CA GLU A 56 -3.419 13.939 1.773 1.00 0.00 C ATOM 894 C GLU A 56 -4.898 13.692 2.054 1.00 0.00 C ATOM 895 O GLU A 56 -5.426 12.616 1.768 1.00 0.00 O ATOM 896 CB GLU A 56 -3.153 13.853 0.269 1.00 0.00 C ATOM 897 CG GLU A 56 -3.477 12.494 -0.330 1.00 0.00 C ATOM 898 CD GLU A 56 -3.103 12.399 -1.796 1.00 0.00 C ATOM 899 OE1 GLU A 56 -3.332 13.382 -2.532 1.00 0.00 O ATOM 900 OE2 GLU A 56 -2.581 11.342 -2.208 1.00 0.00 O ATOM 0 H GLU A 56 -2.747 12.007 2.236 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.163 14.939 2.123 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.743 14.615 -0.240 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.104 14.083 0.080 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.948 11.720 0.227 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.543 12.296 -0.217 1.00 0.00 H new ATOM 907 N LYS A 57 -5.563 14.695 2.617 1.00 0.00 N ATOM 908 CA LYS A 57 -6.982 14.589 2.937 1.00 0.00 C ATOM 909 C LYS A 57 -7.810 14.368 1.675 1.00 0.00 C ATOM 910 O LYS A 57 -7.439 14.789 0.579 1.00 0.00 O ATOM 911 CB LYS A 57 -7.459 15.853 3.657 1.00 0.00 C ATOM 912 CG LYS A 57 -7.305 15.787 5.167 1.00 0.00 C ATOM 913 CD LYS A 57 -7.500 17.151 5.807 1.00 0.00 C ATOM 914 CE LYS A 57 -6.288 18.044 5.595 1.00 0.00 C ATOM 915 NZ LYS A 57 -6.507 19.414 6.136 1.00 0.00 N ATOM 0 H LYS A 57 -5.142 15.591 2.861 1.00 0.00 H new ATOM 0 HA LYS A 57 -7.117 13.730 3.594 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.899 16.709 3.280 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.507 16.026 3.414 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -8.030 15.084 5.577 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -6.315 15.405 5.416 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.384 17.629 5.385 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.682 17.030 6.875 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.419 17.597 6.078 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.064 18.106 4.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.658 19.992 5.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.321 19.850 5.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.695 19.358 7.157 1.00 0.00 H new ATOM 929 N PRO A 58 -8.958 13.692 1.830 1.00 0.00 N ATOM 930 CA PRO A 58 -9.862 13.402 0.714 1.00 0.00 C ATOM 931 C PRO A 58 -10.556 14.654 0.189 1.00 0.00 C ATOM 932 O PRO A 58 -11.259 14.609 -0.821 1.00 0.00 O ATOM 933 CB PRO A 58 -10.885 12.441 1.326 1.00 0.00 C ATOM 934 CG PRO A 58 -10.873 12.754 2.783 1.00 0.00 C ATOM 935 CD PRO A 58 -9.462 13.161 3.107 1.00 0.00 C ATOM 0 HA PRO A 58 -9.330 12.991 -0.144 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.876 12.591 0.897 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.612 11.402 1.142 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.574 13.556 3.016 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.174 11.887 3.371 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.432 13.914 3.895 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.869 12.314 3.452 1.00 0.00 H new ATOM 943 N SER A 59 -10.354 15.771 0.881 1.00 0.00 N ATOM 944 CA SER A 59 -10.963 17.036 0.485 1.00 0.00 C ATOM 945 C SER A 59 -9.925 17.971 -0.126 1.00 0.00 C ATOM 946 O SER A 59 -8.811 18.097 0.381 1.00 0.00 O ATOM 947 CB SER A 59 -11.624 17.707 1.691 1.00 0.00 C ATOM 948 OG SER A 59 -12.935 17.211 1.896 1.00 0.00 O ATOM 0 H SER A 59 -9.774 15.826 1.718 1.00 0.00 H new ATOM 0 HA SER A 59 -11.723 16.825 -0.267 1.00 0.00 H new ATOM 0 HB2 SER A 59 -11.022 17.533 2.583 1.00 0.00 H new ATOM 0 HB3 SER A 59 -11.660 18.785 1.537 1.00 0.00 H new ATOM 0 HG SER A 59 -13.335 17.654 2.673 1.00 0.00 H new ATOM 954 N GLY A 60 -10.299 18.626 -1.221 1.00 0.00 N ATOM 955 CA GLY A 60 -9.390 19.542 -1.885 1.00 0.00 C ATOM 956 C GLY A 60 -9.678 19.672 -3.367 1.00 0.00 C ATOM 957 O GLY A 60 -10.400 18.866 -3.954 1.00 0.00 O ATOM 0 H GLY A 60 -11.215 18.539 -1.660 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.462 20.524 -1.417 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.365 19.197 -1.746 1.00 0.00 H new ATOM 961 N PRO A 61 -9.105 20.709 -3.997 1.00 0.00 N ATOM 962 CA PRO A 61 -9.291 20.967 -5.428 1.00 0.00 C ATOM 963 C PRO A 61 -8.594 19.927 -6.299 1.00 0.00 C ATOM 964 O PRO A 61 -7.698 19.219 -5.840 1.00 0.00 O ATOM 965 CB PRO A 61 -8.653 22.344 -5.626 1.00 0.00 C ATOM 966 CG PRO A 61 -7.654 22.460 -4.527 1.00 0.00 C ATOM 967 CD PRO A 61 -8.232 21.709 -3.360 1.00 0.00 C ATOM 0 HA PRO A 61 -10.341 20.923 -5.717 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.177 22.423 -6.603 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -9.398 23.137 -5.569 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -6.695 22.038 -4.826 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.477 23.504 -4.270 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.453 21.239 -2.759 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.793 22.367 -2.696 1.00 0.00 H new ATOM 975 N SER A 62 -9.012 19.841 -7.558 1.00 0.00 N ATOM 976 CA SER A 62 -8.430 18.885 -8.493 1.00 0.00 C ATOM 977 C SER A 62 -7.540 19.593 -9.510 1.00 0.00 C ATOM 978 O SER A 62 -7.951 20.569 -10.137 1.00 0.00 O ATOM 979 CB SER A 62 -9.533 18.110 -9.215 1.00 0.00 C ATOM 980 OG SER A 62 -10.348 18.979 -9.983 1.00 0.00 O ATOM 0 H SER A 62 -9.751 20.422 -7.954 1.00 0.00 H new ATOM 0 HA SER A 62 -7.817 18.185 -7.925 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.087 17.356 -9.864 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.147 17.580 -8.486 1.00 0.00 H new ATOM 0 HG SER A 62 -9.827 19.764 -10.251 1.00 0.00 H new ATOM 986 N SER A 63 -6.319 19.092 -9.668 1.00 0.00 N ATOM 987 CA SER A 63 -5.368 19.678 -10.606 1.00 0.00 C ATOM 988 C SER A 63 -5.980 19.792 -11.999 1.00 0.00 C ATOM 989 O SER A 63 -7.012 19.188 -12.287 1.00 0.00 O ATOM 990 CB SER A 63 -4.092 18.836 -10.664 1.00 0.00 C ATOM 991 OG SER A 63 -3.114 19.449 -11.486 1.00 0.00 O ATOM 0 H SER A 63 -5.965 18.282 -9.159 1.00 0.00 H new ATOM 0 HA SER A 63 -5.118 20.679 -10.255 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.694 18.703 -9.658 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.325 17.843 -11.049 1.00 0.00 H new ATOM 0 HG SER A 63 -2.308 18.893 -11.505 1.00 0.00 H new ATOM 997 N GLY A 64 -5.334 20.573 -12.860 1.00 0.00 N ATOM 998 CA GLY A 64 -5.828 20.753 -14.212 1.00 0.00 C ATOM 999 C GLY A 64 -6.975 21.741 -14.284 1.00 0.00 C ATOM 1000 O GLY A 64 -8.015 21.542 -13.655 1.00 0.00 O ATOM 0 H GLY A 64 -4.478 21.084 -12.645 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.014 21.099 -14.850 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.156 19.791 -14.607 1.00 0.00 H new TER 1004 GLY A 64