USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=14 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 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 32:sc= 0.117 USER MOD Single : A 10 GLN : amide:sc= -1.74! C(o=-1.7!,f=-2.1!) USER MOD Single : A 12 ASN : amide:sc= -0.419 X(o=-0.42,f=-0.15) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.214 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.187 USER MOD Single : A 24 LYS NZ :NH3+ 160:sc= -0.0705 (180deg=-0.545) USER MOD Single : A 25 HIS : no HD1:sc= -1.56 K(o=-1.6,f=-0.18) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 56:sc= 0.905 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.11) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.0532 K(o=-0.053,f=-1.3!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 54 ASN : amide:sc= -0.979 K(o=-0.98,f=-2.7!) USER MOD Single : A 55 GLN : amide:sc= -0.472 K(o=-0.47,f=-2.1) USER MOD Single : A 57 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0158) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 29:sc= 0.901 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.378 18.833 -17.111 1.00 0.00 N ATOM 2 CA GLY A 1 5.828 17.548 -16.720 1.00 0.00 C ATOM 3 C GLY A 1 6.079 16.471 -17.757 1.00 0.00 C ATOM 4 O GLY A 1 5.648 16.592 -18.904 1.00 0.00 O ATOM 0 H1 GLY A 1 6.180 19.535 -16.370 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.406 18.746 -17.240 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.942 19.140 -18.004 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.266 17.243 -15.770 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.755 17.649 -16.558 1.00 0.00 H new ATOM 8 N SER A 2 6.778 15.415 -17.354 1.00 0.00 N ATOM 9 CA SER A 2 7.090 14.315 -18.259 1.00 0.00 C ATOM 10 C SER A 2 5.908 14.013 -19.175 1.00 0.00 C ATOM 11 O SER A 2 6.067 13.882 -20.389 1.00 0.00 O ATOM 12 CB SER A 2 7.465 13.063 -17.463 1.00 0.00 C ATOM 13 OG SER A 2 7.952 12.042 -18.317 1.00 0.00 O ATOM 0 H SER A 2 7.139 15.298 -16.407 1.00 0.00 H new ATOM 0 HA SER A 2 7.938 14.614 -18.875 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.223 13.314 -16.721 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.594 12.700 -16.918 1.00 0.00 H new ATOM 0 HG SER A 2 8.186 11.254 -17.784 1.00 0.00 H new ATOM 19 N SER A 3 4.722 13.904 -18.585 1.00 0.00 N ATOM 20 CA SER A 3 3.513 13.614 -19.346 1.00 0.00 C ATOM 21 C SER A 3 3.746 12.461 -20.318 1.00 0.00 C ATOM 22 O SER A 3 3.306 12.503 -21.466 1.00 0.00 O ATOM 23 CB SER A 3 3.056 14.857 -20.112 1.00 0.00 C ATOM 24 OG SER A 3 2.476 15.810 -19.238 1.00 0.00 O ATOM 0 H SER A 3 4.573 14.012 -17.582 1.00 0.00 H new ATOM 0 HA SER A 3 2.733 13.322 -18.643 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.906 15.303 -20.629 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.333 14.572 -20.876 1.00 0.00 H new ATOM 0 HG SER A 3 2.194 16.596 -19.751 1.00 0.00 H new ATOM 30 N GLY A 4 4.442 11.430 -19.848 1.00 0.00 N ATOM 31 CA GLY A 4 4.723 10.280 -20.687 1.00 0.00 C ATOM 32 C GLY A 4 4.314 8.974 -20.036 1.00 0.00 C ATOM 33 O GLY A 4 3.774 8.966 -18.930 1.00 0.00 O ATOM 0 H GLY A 4 4.816 11.371 -18.901 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.198 10.389 -21.636 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.789 10.251 -20.914 1.00 0.00 H new ATOM 37 N SER A 5 4.571 7.866 -20.724 1.00 0.00 N ATOM 38 CA SER A 5 4.220 6.548 -20.208 1.00 0.00 C ATOM 39 C SER A 5 4.746 6.362 -18.788 1.00 0.00 C ATOM 40 O SER A 5 5.720 6.999 -18.387 1.00 0.00 O ATOM 41 CB SER A 5 4.783 5.454 -21.119 1.00 0.00 C ATOM 42 OG SER A 5 6.199 5.442 -21.086 1.00 0.00 O ATOM 0 H SER A 5 5.021 7.855 -21.639 1.00 0.00 H new ATOM 0 HA SER A 5 3.133 6.471 -20.187 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.401 4.483 -20.805 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.441 5.616 -22.141 1.00 0.00 H new ATOM 0 HG SER A 5 6.534 4.734 -21.675 1.00 0.00 H new ATOM 48 N SER A 6 4.093 5.486 -18.032 1.00 0.00 N ATOM 49 CA SER A 6 4.491 5.219 -16.654 1.00 0.00 C ATOM 50 C SER A 6 5.129 3.838 -16.531 1.00 0.00 C ATOM 51 O SER A 6 4.454 2.855 -16.228 1.00 0.00 O ATOM 52 CB SER A 6 3.282 5.319 -15.723 1.00 0.00 C ATOM 53 OG SER A 6 2.862 6.665 -15.575 1.00 0.00 O ATOM 0 H SER A 6 3.286 4.949 -18.350 1.00 0.00 H new ATOM 0 HA SER A 6 5.227 5.968 -16.363 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.462 4.721 -16.121 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.535 4.904 -14.747 1.00 0.00 H new ATOM 0 HG SER A 6 2.087 6.702 -14.977 1.00 0.00 H new ATOM 59 N GLY A 7 6.435 3.773 -16.770 1.00 0.00 N ATOM 60 CA GLY A 7 7.143 2.509 -16.681 1.00 0.00 C ATOM 61 C GLY A 7 7.974 2.397 -15.418 1.00 0.00 C ATOM 62 O GLY A 7 9.176 2.664 -15.431 1.00 0.00 O ATOM 0 H GLY A 7 7.015 4.573 -17.024 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.424 1.690 -16.713 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.792 2.397 -17.550 1.00 0.00 H new ATOM 66 N THR A 8 7.333 2.004 -14.322 1.00 0.00 N ATOM 67 CA THR A 8 8.019 1.861 -13.045 1.00 0.00 C ATOM 68 C THR A 8 7.514 0.640 -12.283 1.00 0.00 C ATOM 69 O THR A 8 6.311 0.471 -12.090 1.00 0.00 O ATOM 70 CB THR A 8 7.837 3.112 -12.165 1.00 0.00 C ATOM 71 OG1 THR A 8 6.443 3.378 -11.975 1.00 0.00 O ATOM 72 CG2 THR A 8 8.507 4.321 -12.799 1.00 0.00 C ATOM 0 H THR A 8 6.339 1.779 -14.294 1.00 0.00 H new ATOM 0 HA THR A 8 9.078 1.735 -13.269 1.00 0.00 H new ATOM 0 HB THR A 8 8.305 2.922 -11.199 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.947 2.533 -11.968 1.00 0.00 H new ATOM 0 HG21 THR A 8 8.365 5.192 -12.160 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.573 4.126 -12.916 1.00 0.00 H new ATOM 0 HG23 THR A 8 8.064 4.512 -13.776 1.00 0.00 H new ATOM 80 N ALA A 9 8.442 -0.208 -11.852 1.00 0.00 N ATOM 81 CA ALA A 9 8.091 -1.411 -11.108 1.00 0.00 C ATOM 82 C ALA A 9 8.331 -1.224 -9.614 1.00 0.00 C ATOM 83 O ALA A 9 8.325 -2.188 -8.850 1.00 0.00 O ATOM 84 CB ALA A 9 8.884 -2.602 -11.627 1.00 0.00 C ATOM 0 H ALA A 9 9.443 -0.084 -12.005 1.00 0.00 H new ATOM 0 HA ALA A 9 7.028 -1.602 -11.256 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.612 -3.494 -11.063 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.658 -2.757 -12.682 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.950 -2.409 -11.509 1.00 0.00 H new ATOM 90 N GLN A 10 8.543 0.023 -9.206 1.00 0.00 N ATOM 91 CA GLN A 10 8.787 0.336 -7.803 1.00 0.00 C ATOM 92 C GLN A 10 7.608 -0.095 -6.936 1.00 0.00 C ATOM 93 O GLN A 10 6.464 -0.158 -7.388 1.00 0.00 O ATOM 94 CB GLN A 10 9.042 1.834 -7.629 1.00 0.00 C ATOM 95 CG GLN A 10 10.498 2.229 -7.812 1.00 0.00 C ATOM 96 CD GLN A 10 11.371 1.794 -6.652 1.00 0.00 C ATOM 97 OE1 GLN A 10 11.296 2.356 -5.559 1.00 0.00 O ATOM 98 NE2 GLN A 10 12.207 0.788 -6.883 1.00 0.00 N ATOM 0 H GLN A 10 8.551 0.832 -9.827 1.00 0.00 H new ATOM 0 HA GLN A 10 9.671 -0.215 -7.483 1.00 0.00 H new ATOM 0 HB2 GLN A 10 8.432 2.383 -8.346 1.00 0.00 H new ATOM 0 HB3 GLN A 10 8.714 2.137 -6.634 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.877 1.787 -8.733 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.565 3.311 -7.927 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.237 0.351 -7.804 1.00 0.00 H new ATOM 0 HE22 GLN A 10 12.819 0.453 -6.139 1.00 0.00 H new ATOM 107 N PRO A 11 7.891 -0.401 -5.661 1.00 0.00 N ATOM 108 CA PRO A 11 6.867 -0.832 -4.705 1.00 0.00 C ATOM 109 C PRO A 11 5.916 0.298 -4.326 1.00 0.00 C ATOM 110 O PRO A 11 4.711 0.088 -4.187 1.00 0.00 O ATOM 111 CB PRO A 11 7.682 -1.275 -3.487 1.00 0.00 C ATOM 112 CG PRO A 11 8.956 -0.508 -3.585 1.00 0.00 C ATOM 113 CD PRO A 11 9.232 -0.349 -5.055 1.00 0.00 C ATOM 0 HA PRO A 11 6.230 -1.615 -5.116 1.00 0.00 H new ATOM 0 HB2 PRO A 11 7.157 -1.054 -2.558 1.00 0.00 H new ATOM 0 HB3 PRO A 11 7.864 -2.350 -3.502 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.865 0.463 -3.098 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.770 -1.038 -3.090 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.734 0.594 -5.270 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.874 -1.145 -5.432 1.00 0.00 H new ATOM 121 N ASN A 12 6.465 1.497 -4.160 1.00 0.00 N ATOM 122 CA ASN A 12 5.664 2.661 -3.797 1.00 0.00 C ATOM 123 C ASN A 12 5.070 3.321 -5.037 1.00 0.00 C ATOM 124 O ASN A 12 3.884 3.650 -5.070 1.00 0.00 O ATOM 125 CB ASN A 12 6.516 3.672 -3.026 1.00 0.00 C ATOM 126 CG ASN A 12 7.611 3.006 -2.215 1.00 0.00 C ATOM 127 OD1 ASN A 12 8.770 3.419 -2.260 1.00 0.00 O ATOM 128 ND2 ASN A 12 7.247 1.970 -1.469 1.00 0.00 N ATOM 0 H ASN A 12 7.461 1.688 -4.271 1.00 0.00 H new ATOM 0 HA ASN A 12 4.846 2.324 -3.160 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.964 4.375 -3.728 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.875 4.250 -2.360 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.940 1.481 -0.902 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.274 1.663 -1.463 1.00 0.00 H new ATOM 135 N ALA A 13 5.902 3.511 -6.056 1.00 0.00 N ATOM 136 CA ALA A 13 5.459 4.129 -7.299 1.00 0.00 C ATOM 137 C ALA A 13 4.142 3.523 -7.774 1.00 0.00 C ATOM 138 O ALA A 13 3.153 4.233 -7.958 1.00 0.00 O ATOM 139 CB ALA A 13 6.527 3.981 -8.372 1.00 0.00 C ATOM 0 H ALA A 13 6.887 3.246 -6.045 1.00 0.00 H new ATOM 0 HA ALA A 13 5.294 5.190 -7.110 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.182 4.447 -9.295 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.445 4.466 -8.041 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.720 2.923 -8.550 1.00 0.00 H new ATOM 145 N ILE A 14 4.138 2.210 -7.972 1.00 0.00 N ATOM 146 CA ILE A 14 2.942 1.510 -8.426 1.00 0.00 C ATOM 147 C ILE A 14 1.756 1.799 -7.512 1.00 0.00 C ATOM 148 O ILE A 14 0.641 2.034 -7.979 1.00 0.00 O ATOM 149 CB ILE A 14 3.170 -0.012 -8.486 1.00 0.00 C ATOM 150 CG1 ILE A 14 4.372 -0.335 -9.377 1.00 0.00 C ATOM 151 CG2 ILE A 14 1.921 -0.715 -8.998 1.00 0.00 C ATOM 152 CD1 ILE A 14 4.922 -1.728 -9.167 1.00 0.00 C ATOM 0 H ILE A 14 4.949 1.609 -7.825 1.00 0.00 H new ATOM 0 HA ILE A 14 2.723 1.877 -9.429 1.00 0.00 H new ATOM 0 HB ILE A 14 3.380 -0.373 -7.479 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.081 -0.222 -10.421 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.162 0.391 -9.186 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.098 -1.790 -9.035 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.086 -0.507 -8.329 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.683 -0.352 -9.998 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.772 -1.888 -9.831 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.244 -1.840 -8.132 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.147 -2.462 -9.387 1.00 0.00 H new ATOM 164 N LEU A 15 2.004 1.782 -6.207 1.00 0.00 N ATOM 165 CA LEU A 15 0.957 2.044 -5.226 1.00 0.00 C ATOM 166 C LEU A 15 0.381 3.445 -5.405 1.00 0.00 C ATOM 167 O LEU A 15 -0.806 3.672 -5.176 1.00 0.00 O ATOM 168 CB LEU A 15 1.508 1.885 -3.807 1.00 0.00 C ATOM 169 CG LEU A 15 1.406 0.484 -3.202 1.00 0.00 C ATOM 170 CD1 LEU A 15 2.462 0.291 -2.124 1.00 0.00 C ATOM 171 CD2 LEU A 15 0.014 0.248 -2.635 1.00 0.00 C ATOM 0 H LEU A 15 2.921 1.590 -5.804 1.00 0.00 H new ATOM 0 HA LEU A 15 0.158 1.319 -5.383 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.557 2.183 -3.810 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.981 2.581 -3.154 1.00 0.00 H new ATOM 0 HG LEU A 15 1.583 -0.246 -3.992 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.375 -0.711 -1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.453 0.417 -2.559 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.316 1.029 -1.335 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.040 -0.754 -2.209 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.192 0.984 -1.858 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.724 0.344 -3.431 1.00 0.00 H new ATOM 183 N GLU A 16 1.231 4.381 -5.818 1.00 0.00 N ATOM 184 CA GLU A 16 0.806 5.759 -6.029 1.00 0.00 C ATOM 185 C GLU A 16 0.000 5.888 -7.318 1.00 0.00 C ATOM 186 O GLU A 16 -0.768 6.835 -7.492 1.00 0.00 O ATOM 187 CB GLU A 16 2.020 6.689 -6.078 1.00 0.00 C ATOM 188 CG GLU A 16 1.675 8.153 -5.859 1.00 0.00 C ATOM 189 CD GLU A 16 1.649 8.532 -4.391 1.00 0.00 C ATOM 190 OE1 GLU A 16 2.730 8.559 -3.767 1.00 0.00 O ATOM 191 OE2 GLU A 16 0.548 8.802 -3.867 1.00 0.00 O ATOM 0 H GLU A 16 2.217 4.209 -6.013 1.00 0.00 H new ATOM 0 HA GLU A 16 0.170 6.048 -5.193 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.738 6.376 -5.319 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.511 6.581 -7.045 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.403 8.776 -6.379 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.702 8.363 -6.302 1.00 0.00 H new ATOM 198 N LYS A 17 0.181 4.930 -8.220 1.00 0.00 N ATOM 199 CA LYS A 17 -0.529 4.933 -9.494 1.00 0.00 C ATOM 200 C LYS A 17 -1.959 4.432 -9.322 1.00 0.00 C ATOM 201 O LYS A 17 -2.903 5.031 -9.837 1.00 0.00 O ATOM 202 CB LYS A 17 0.208 4.063 -10.515 1.00 0.00 C ATOM 203 CG LYS A 17 -0.450 4.040 -11.883 1.00 0.00 C ATOM 204 CD LYS A 17 0.246 3.067 -12.820 1.00 0.00 C ATOM 205 CE LYS A 17 -0.096 1.624 -12.480 1.00 0.00 C ATOM 206 NZ LYS A 17 0.999 0.690 -12.861 1.00 0.00 N ATOM 0 H LYS A 17 0.814 4.140 -8.093 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.564 5.960 -9.859 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.230 4.427 -10.619 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.270 3.044 -10.134 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.498 3.760 -11.779 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.429 5.041 -12.315 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.046 3.279 -13.849 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.325 3.210 -12.759 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.290 1.539 -11.411 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.013 1.337 -12.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.727 -0.283 -12.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.168 0.752 -13.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.868 0.947 -12.351 1.00 0.00 H new ATOM 220 N VAL A 18 -2.112 3.331 -8.594 1.00 0.00 N ATOM 221 CA VAL A 18 -3.428 2.751 -8.351 1.00 0.00 C ATOM 222 C VAL A 18 -4.230 3.599 -7.370 1.00 0.00 C ATOM 223 O VAL A 18 -5.413 3.349 -7.140 1.00 0.00 O ATOM 224 CB VAL A 18 -3.316 1.317 -7.801 1.00 0.00 C ATOM 225 CG1 VAL A 18 -4.667 0.832 -7.297 1.00 0.00 C ATOM 226 CG2 VAL A 18 -2.766 0.380 -8.865 1.00 0.00 C ATOM 0 H VAL A 18 -1.341 2.822 -8.162 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.945 2.725 -9.310 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.622 1.321 -6.961 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.569 -0.183 -6.912 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.016 1.490 -6.501 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.386 0.841 -8.116 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.694 -0.629 -8.459 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.433 0.377 -9.727 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.777 0.719 -9.172 1.00 0.00 H new ATOM 236 N PHE A 19 -3.578 4.605 -6.796 1.00 0.00 N ATOM 237 CA PHE A 19 -4.230 5.491 -5.839 1.00 0.00 C ATOM 238 C PHE A 19 -4.962 6.622 -6.556 1.00 0.00 C ATOM 239 O PHE A 19 -6.016 7.076 -6.110 1.00 0.00 O ATOM 240 CB PHE A 19 -3.202 6.071 -4.865 1.00 0.00 C ATOM 241 CG PHE A 19 -3.813 6.897 -3.770 1.00 0.00 C ATOM 242 CD1 PHE A 19 -4.503 6.293 -2.731 1.00 0.00 C ATOM 243 CD2 PHE A 19 -3.696 8.278 -3.778 1.00 0.00 C ATOM 244 CE1 PHE A 19 -5.066 7.051 -1.722 1.00 0.00 C ATOM 245 CE2 PHE A 19 -4.258 9.041 -2.772 1.00 0.00 C ATOM 246 CZ PHE A 19 -4.943 8.427 -1.742 1.00 0.00 C ATOM 0 H PHE A 19 -2.599 4.827 -6.977 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.960 4.906 -5.280 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.634 5.254 -4.419 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.493 6.685 -5.420 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.602 5.218 -2.710 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.159 8.764 -4.580 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.602 6.568 -0.918 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.162 10.117 -2.791 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.382 9.021 -0.954 1.00 0.00 H new ATOM 256 N THR A 20 -4.395 7.073 -7.671 1.00 0.00 N ATOM 257 CA THR A 20 -4.991 8.151 -8.449 1.00 0.00 C ATOM 258 C THR A 20 -5.488 7.645 -9.799 1.00 0.00 C ATOM 259 O THR A 20 -6.584 7.993 -10.238 1.00 0.00 O ATOM 260 CB THR A 20 -3.988 9.297 -8.681 1.00 0.00 C ATOM 261 OG1 THR A 20 -3.105 8.965 -9.758 1.00 0.00 O ATOM 262 CG2 THR A 20 -3.180 9.572 -7.422 1.00 0.00 C ATOM 0 H THR A 20 -3.523 6.708 -8.055 1.00 0.00 H new ATOM 0 HA THR A 20 -5.835 8.528 -7.872 1.00 0.00 H new ATOM 0 HB THR A 20 -4.550 10.196 -8.937 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.472 9.699 -9.900 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.479 10.385 -7.610 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.853 9.853 -6.612 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.629 8.675 -7.140 1.00 0.00 H new ATOM 270 N ALA A 21 -4.675 6.821 -10.452 1.00 0.00 N ATOM 271 CA ALA A 21 -5.034 6.265 -11.751 1.00 0.00 C ATOM 272 C ALA A 21 -6.274 5.382 -11.647 1.00 0.00 C ATOM 273 O ALA A 21 -7.020 5.229 -12.614 1.00 0.00 O ATOM 274 CB ALA A 21 -3.868 5.474 -12.327 1.00 0.00 C ATOM 0 H ALA A 21 -3.764 6.524 -10.103 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.264 7.093 -12.422 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.150 5.065 -13.297 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.007 6.131 -12.447 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.611 4.659 -11.650 1.00 0.00 H new ATOM 280 N ILE A 22 -6.486 4.805 -10.469 1.00 0.00 N ATOM 281 CA ILE A 22 -7.635 3.939 -10.240 1.00 0.00 C ATOM 282 C ILE A 22 -8.596 4.556 -9.229 1.00 0.00 C ATOM 283 O ILE A 22 -9.713 4.942 -9.573 1.00 0.00 O ATOM 284 CB ILE A 22 -7.201 2.549 -9.737 1.00 0.00 C ATOM 285 CG1 ILE A 22 -6.151 1.948 -10.674 1.00 0.00 C ATOM 286 CG2 ILE A 22 -8.406 1.627 -9.622 1.00 0.00 C ATOM 287 CD1 ILE A 22 -6.690 1.608 -12.045 1.00 0.00 C ATOM 0 H ILE A 22 -5.877 4.922 -9.659 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.142 3.828 -11.198 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.757 2.660 -8.748 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.326 2.652 -10.781 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.743 1.046 -10.219 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.083 0.649 -9.266 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -9.123 2.051 -8.919 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.877 1.520 -10.599 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.891 1.187 -12.656 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.496 0.880 -11.949 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.072 2.512 -12.520 1.00 0.00 H new ATOM 299 N THR A 23 -8.152 4.647 -7.979 1.00 0.00 N ATOM 300 CA THR A 23 -8.972 5.218 -6.917 1.00 0.00 C ATOM 301 C THR A 23 -8.189 5.319 -5.613 1.00 0.00 C ATOM 302 O THR A 23 -7.167 4.655 -5.437 1.00 0.00 O ATOM 303 CB THR A 23 -10.243 4.382 -6.677 1.00 0.00 C ATOM 304 OG1 THR A 23 -11.024 4.968 -5.630 1.00 0.00 O ATOM 305 CG2 THR A 23 -9.886 2.949 -6.309 1.00 0.00 C ATOM 0 H THR A 23 -7.230 4.333 -7.677 1.00 0.00 H new ATOM 0 HA THR A 23 -9.261 6.217 -7.243 1.00 0.00 H new ATOM 0 HB THR A 23 -10.823 4.370 -7.599 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.831 4.432 -5.485 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.799 2.377 -6.144 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.316 2.496 -7.120 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.287 2.946 -5.399 1.00 0.00 H new ATOM 313 N LYS A 24 -8.675 6.153 -4.700 1.00 0.00 N ATOM 314 CA LYS A 24 -8.023 6.340 -3.409 1.00 0.00 C ATOM 315 C LYS A 24 -8.346 5.186 -2.464 1.00 0.00 C ATOM 316 O LYS A 24 -7.518 4.795 -1.641 1.00 0.00 O ATOM 317 CB LYS A 24 -8.459 7.665 -2.781 1.00 0.00 C ATOM 318 CG LYS A 24 -8.482 8.824 -3.762 1.00 0.00 C ATOM 319 CD LYS A 24 -7.135 9.523 -3.832 1.00 0.00 C ATOM 320 CE LYS A 24 -7.206 10.790 -4.670 1.00 0.00 C ATOM 321 NZ LYS A 24 -8.203 11.756 -4.131 1.00 0.00 N ATOM 0 H LYS A 24 -9.519 6.711 -4.830 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.946 6.361 -3.574 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.453 7.544 -2.351 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.784 7.908 -1.960 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.755 8.458 -4.752 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.249 9.539 -3.464 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.800 9.770 -2.825 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.394 8.846 -4.257 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.223 11.261 -4.700 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.468 10.533 -5.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.996 12.708 -4.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.158 11.471 -4.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.152 11.764 -3.092 1.00 0.00 H new ATOM 335 N HIS A 25 -9.554 4.646 -2.589 1.00 0.00 N ATOM 336 CA HIS A 25 -9.985 3.536 -1.747 1.00 0.00 C ATOM 337 C HIS A 25 -10.115 2.253 -2.563 1.00 0.00 C ATOM 338 O HIS A 25 -11.206 1.858 -2.975 1.00 0.00 O ATOM 339 CB HIS A 25 -11.320 3.864 -1.077 1.00 0.00 C ATOM 340 CG HIS A 25 -11.446 5.299 -0.665 1.00 0.00 C ATOM 341 ND1 HIS A 25 -11.397 5.712 0.649 1.00 0.00 N ATOM 342 CD2 HIS A 25 -11.618 6.420 -1.404 1.00 0.00 C ATOM 343 CE1 HIS A 25 -11.536 7.025 0.702 1.00 0.00 C ATOM 344 NE2 HIS A 25 -11.671 7.479 -0.531 1.00 0.00 N ATOM 0 H HIS A 25 -10.251 4.959 -3.265 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.228 3.382 -0.978 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -12.131 3.619 -1.762 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -11.442 3.230 -0.199 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -11.699 6.472 -2.480 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -11.539 7.625 1.600 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -11.795 8.457 -0.792 1.00 0.00 H new ATOM 353 N PRO A 26 -8.976 1.586 -2.803 1.00 0.00 N ATOM 354 CA PRO A 26 -8.936 0.339 -3.572 1.00 0.00 C ATOM 355 C PRO A 26 -9.574 -0.825 -2.822 1.00 0.00 C ATOM 356 O PRO A 26 -9.398 -0.967 -1.612 1.00 0.00 O ATOM 357 CB PRO A 26 -7.439 0.092 -3.770 1.00 0.00 C ATOM 358 CG PRO A 26 -6.785 0.796 -2.631 1.00 0.00 C ATOM 359 CD PRO A 26 -7.640 1.999 -2.343 1.00 0.00 C ATOM 0 HA PRO A 26 -9.496 0.417 -4.504 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.209 -0.973 -3.761 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -7.096 0.484 -4.727 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -6.717 0.147 -1.758 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.768 1.092 -2.887 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.640 2.248 -1.282 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.286 2.881 -2.877 1.00 0.00 H new ATOM 367 N ASP A 27 -10.315 -1.656 -3.548 1.00 0.00 N ATOM 368 CA ASP A 27 -10.978 -2.809 -2.950 1.00 0.00 C ATOM 369 C ASP A 27 -10.024 -3.996 -2.856 1.00 0.00 C ATOM 370 O ASP A 27 -8.899 -3.941 -3.353 1.00 0.00 O ATOM 371 CB ASP A 27 -12.212 -3.194 -3.768 1.00 0.00 C ATOM 372 CG ASP A 27 -13.016 -1.986 -4.206 1.00 0.00 C ATOM 373 OD1 ASP A 27 -13.903 -1.553 -3.441 1.00 0.00 O ATOM 374 OD2 ASP A 27 -12.758 -1.473 -5.315 1.00 0.00 O ATOM 0 H ASP A 27 -10.471 -1.552 -4.551 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.290 -2.536 -1.942 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.900 -3.757 -4.647 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -12.846 -3.853 -3.175 1.00 0.00 H new ATOM 379 N GLU A 28 -10.481 -5.067 -2.215 1.00 0.00 N ATOM 380 CA GLU A 28 -9.667 -6.266 -2.054 1.00 0.00 C ATOM 381 C GLU A 28 -9.093 -6.717 -3.395 1.00 0.00 C ATOM 382 O GLU A 28 -7.877 -6.764 -3.579 1.00 0.00 O ATOM 383 CB GLU A 28 -10.496 -7.393 -1.436 1.00 0.00 C ATOM 384 CG GLU A 28 -10.791 -7.192 0.041 1.00 0.00 C ATOM 385 CD GLU A 28 -11.165 -5.761 0.371 1.00 0.00 C ATOM 386 OE1 GLU A 28 -12.291 -5.346 0.024 1.00 0.00 O ATOM 387 OE2 GLU A 28 -10.332 -5.054 0.977 1.00 0.00 O ATOM 0 H GLU A 28 -11.410 -5.129 -1.799 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.840 -6.026 -1.386 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.438 -7.479 -1.978 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -9.966 -8.336 -1.567 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.604 -7.854 0.339 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.916 -7.479 0.625 1.00 0.00 H new ATOM 394 N LYS A 29 -9.978 -7.050 -4.328 1.00 0.00 N ATOM 395 CA LYS A 29 -9.563 -7.498 -5.652 1.00 0.00 C ATOM 396 C LYS A 29 -8.434 -6.626 -6.192 1.00 0.00 C ATOM 397 O LYS A 29 -7.440 -7.132 -6.712 1.00 0.00 O ATOM 398 CB LYS A 29 -10.749 -7.470 -6.618 1.00 0.00 C ATOM 399 CG LYS A 29 -11.381 -6.097 -6.766 1.00 0.00 C ATOM 400 CD LYS A 29 -10.745 -5.310 -7.900 1.00 0.00 C ATOM 401 CE LYS A 29 -10.810 -3.812 -7.644 1.00 0.00 C ATOM 402 NZ LYS A 29 -12.087 -3.221 -8.131 1.00 0.00 N ATOM 0 H LYS A 29 -10.988 -7.018 -4.192 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.198 -8.521 -5.564 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.417 -7.815 -7.597 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.506 -8.174 -6.271 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.450 -6.205 -6.952 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.274 -5.544 -5.833 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.705 -5.615 -8.018 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -11.253 -5.543 -8.836 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.706 -3.621 -6.576 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.971 -3.322 -8.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.092 -2.199 -7.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.175 -3.381 -9.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.887 -3.670 -7.641 1.00 0.00 H new ATOM 416 N ARG A 30 -8.594 -5.312 -6.064 1.00 0.00 N ATOM 417 CA ARG A 30 -7.587 -4.370 -6.538 1.00 0.00 C ATOM 418 C ARG A 30 -6.213 -4.710 -5.969 1.00 0.00 C ATOM 419 O ARG A 30 -5.265 -4.961 -6.714 1.00 0.00 O ATOM 420 CB ARG A 30 -7.973 -2.941 -6.151 1.00 0.00 C ATOM 421 CG ARG A 30 -6.997 -1.890 -6.654 1.00 0.00 C ATOM 422 CD ARG A 30 -7.387 -1.382 -8.033 1.00 0.00 C ATOM 423 NE ARG A 30 -7.353 -2.442 -9.037 1.00 0.00 N ATOM 424 CZ ARG A 30 -6.234 -2.886 -9.598 1.00 0.00 C ATOM 425 NH1 ARG A 30 -5.064 -2.366 -9.254 1.00 0.00 N ATOM 426 NH2 ARG A 30 -6.284 -3.854 -10.504 1.00 0.00 N ATOM 0 H ARG A 30 -9.411 -4.876 -5.636 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.539 -4.444 -7.624 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.965 -2.722 -6.546 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.040 -2.873 -5.065 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.966 -1.056 -5.953 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.993 -2.313 -6.691 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.389 -0.954 -7.992 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.710 -0.581 -8.329 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.236 -2.864 -9.323 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -5.021 -1.623 -8.557 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -4.206 -2.709 -9.687 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.182 -4.258 -10.770 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.424 -4.195 -10.934 1.00 0.00 H new ATOM 440 N LEU A 31 -6.112 -4.715 -4.645 1.00 0.00 N ATOM 441 CA LEU A 31 -4.853 -5.024 -3.974 1.00 0.00 C ATOM 442 C LEU A 31 -4.294 -6.359 -4.454 1.00 0.00 C ATOM 443 O LEU A 31 -3.127 -6.453 -4.832 1.00 0.00 O ATOM 444 CB LEU A 31 -5.055 -5.057 -2.458 1.00 0.00 C ATOM 445 CG LEU A 31 -5.769 -3.849 -1.849 1.00 0.00 C ATOM 446 CD1 LEU A 31 -6.486 -4.244 -0.568 1.00 0.00 C ATOM 447 CD2 LEU A 31 -4.780 -2.723 -1.585 1.00 0.00 C ATOM 0 H LEU A 31 -6.886 -4.509 -4.014 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.136 -4.241 -4.221 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.622 -5.953 -2.207 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.078 -5.154 -1.984 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.513 -3.492 -2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.988 -3.372 -0.149 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.223 -5.017 -0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.762 -4.626 0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.305 -1.872 -1.152 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.013 -3.068 -0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.312 -2.422 -2.523 1.00 0.00 H new ATOM 459 N GLU A 32 -5.136 -7.388 -4.437 1.00 0.00 N ATOM 460 CA GLU A 32 -4.725 -8.718 -4.872 1.00 0.00 C ATOM 461 C GLU A 32 -3.732 -8.629 -6.027 1.00 0.00 C ATOM 462 O GLU A 32 -2.799 -9.426 -6.121 1.00 0.00 O ATOM 463 CB GLU A 32 -5.944 -9.540 -5.295 1.00 0.00 C ATOM 464 CG GLU A 32 -6.922 -9.804 -4.163 1.00 0.00 C ATOM 465 CD GLU A 32 -6.600 -11.074 -3.398 1.00 0.00 C ATOM 466 OE1 GLU A 32 -5.967 -11.976 -3.985 1.00 0.00 O ATOM 467 OE2 GLU A 32 -6.982 -11.165 -2.213 1.00 0.00 O ATOM 0 H GLU A 32 -6.106 -7.326 -4.127 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.236 -9.212 -4.032 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.463 -9.017 -6.098 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.606 -10.493 -5.701 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.913 -8.958 -3.476 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.931 -9.875 -4.569 1.00 0.00 H new ATOM 474 N GLY A 33 -3.940 -7.654 -6.907 1.00 0.00 N ATOM 475 CA GLY A 33 -3.057 -7.479 -8.044 1.00 0.00 C ATOM 476 C GLY A 33 -1.681 -6.987 -7.640 1.00 0.00 C ATOM 477 O GLY A 33 -0.666 -7.512 -8.099 1.00 0.00 O ATOM 0 H GLY A 33 -4.705 -6.982 -6.852 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.959 -8.427 -8.573 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.503 -6.769 -8.741 1.00 0.00 H new ATOM 481 N LEU A 34 -1.646 -5.975 -6.780 1.00 0.00 N ATOM 482 CA LEU A 34 -0.384 -5.410 -6.315 1.00 0.00 C ATOM 483 C LEU A 34 0.464 -6.471 -5.620 1.00 0.00 C ATOM 484 O LEU A 34 1.683 -6.514 -5.788 1.00 0.00 O ATOM 485 CB LEU A 34 -0.646 -4.245 -5.360 1.00 0.00 C ATOM 486 CG LEU A 34 -0.761 -2.862 -6.004 1.00 0.00 C ATOM 487 CD1 LEU A 34 -1.285 -1.848 -4.999 1.00 0.00 C ATOM 488 CD2 LEU A 34 0.584 -2.419 -6.560 1.00 0.00 C ATOM 0 H LEU A 34 -2.477 -5.529 -6.391 1.00 0.00 H new ATOM 0 HA LEU A 34 0.164 -5.044 -7.183 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.568 -4.448 -4.815 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.158 -4.216 -4.625 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.470 -2.924 -6.830 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.360 -0.870 -5.474 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.270 -2.158 -4.649 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.601 -1.788 -4.152 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.483 -1.433 -7.014 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.314 -2.373 -5.752 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.920 -3.133 -7.313 1.00 0.00 H new ATOM 500 N SER A 35 -0.189 -7.327 -4.841 1.00 0.00 N ATOM 501 CA SER A 35 0.505 -8.387 -4.120 1.00 0.00 C ATOM 502 C SER A 35 1.659 -8.943 -4.948 1.00 0.00 C ATOM 503 O SER A 35 2.680 -9.369 -4.407 1.00 0.00 O ATOM 504 CB SER A 35 -0.469 -9.512 -3.762 1.00 0.00 C ATOM 505 OG SER A 35 0.220 -10.640 -3.252 1.00 0.00 O ATOM 0 H SER A 35 -1.198 -7.307 -4.693 1.00 0.00 H new ATOM 0 HA SER A 35 0.911 -7.962 -3.202 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.186 -9.155 -3.023 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.039 -9.799 -4.646 1.00 0.00 H new ATOM 0 HG SER A 35 0.766 -10.370 -2.484 1.00 0.00 H new ATOM 511 N LYS A 36 1.490 -8.935 -6.266 1.00 0.00 N ATOM 512 CA LYS A 36 2.516 -9.437 -7.173 1.00 0.00 C ATOM 513 C LYS A 36 3.664 -8.440 -7.300 1.00 0.00 C ATOM 514 O LYS A 36 4.789 -8.720 -6.888 1.00 0.00 O ATOM 515 CB LYS A 36 1.915 -9.717 -8.552 1.00 0.00 C ATOM 516 CG LYS A 36 2.861 -10.446 -9.491 1.00 0.00 C ATOM 517 CD LYS A 36 2.125 -11.011 -10.695 1.00 0.00 C ATOM 518 CE LYS A 36 2.837 -12.230 -11.261 1.00 0.00 C ATOM 519 NZ LYS A 36 2.385 -13.489 -10.607 1.00 0.00 N ATOM 0 H LYS A 36 0.651 -8.586 -6.730 1.00 0.00 H new ATOM 0 HA LYS A 36 2.908 -10.366 -6.759 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.009 -10.310 -8.430 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.619 -8.773 -9.009 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.640 -9.762 -9.828 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.357 -11.255 -8.954 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.109 -11.282 -10.408 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.044 -10.245 -11.466 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.654 -12.292 -12.334 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.913 -12.117 -11.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.893 -14.297 -11.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.582 -13.441 -9.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.363 -13.610 -10.756 1.00 0.00 H new ATOM 533 N GLN A 37 3.370 -7.276 -7.871 1.00 0.00 N ATOM 534 CA GLN A 37 4.378 -6.238 -8.050 1.00 0.00 C ATOM 535 C GLN A 37 5.077 -5.923 -6.732 1.00 0.00 C ATOM 536 O GLN A 37 6.298 -6.042 -6.620 1.00 0.00 O ATOM 537 CB GLN A 37 3.739 -4.969 -8.618 1.00 0.00 C ATOM 538 CG GLN A 37 3.447 -5.049 -10.108 1.00 0.00 C ATOM 539 CD GLN A 37 2.266 -4.192 -10.518 1.00 0.00 C ATOM 540 OE1 GLN A 37 2.415 -3.231 -11.274 1.00 0.00 O ATOM 541 NE2 GLN A 37 1.084 -4.535 -10.020 1.00 0.00 N ATOM 0 H GLN A 37 2.443 -7.029 -8.217 1.00 0.00 H new ATOM 0 HA GLN A 37 5.122 -6.609 -8.755 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.810 -4.770 -8.084 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.401 -4.124 -8.431 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.330 -4.735 -10.665 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.251 -6.086 -10.381 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.007 -5.339 -9.397 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.253 -3.994 -10.260 1.00 0.00 H new ATOM 550 N LEU A 38 4.296 -5.522 -5.735 1.00 0.00 N ATOM 551 CA LEU A 38 4.839 -5.190 -4.423 1.00 0.00 C ATOM 552 C LEU A 38 5.430 -6.424 -3.750 1.00 0.00 C ATOM 553 O LEU A 38 6.333 -6.319 -2.919 1.00 0.00 O ATOM 554 CB LEU A 38 3.750 -4.583 -3.536 1.00 0.00 C ATOM 555 CG LEU A 38 2.843 -3.547 -4.201 1.00 0.00 C ATOM 556 CD1 LEU A 38 1.827 -3.010 -3.205 1.00 0.00 C ATOM 557 CD2 LEU A 38 3.670 -2.413 -4.788 1.00 0.00 C ATOM 0 H LEU A 38 3.284 -5.419 -5.811 1.00 0.00 H new ATOM 0 HA LEU A 38 5.635 -4.458 -4.562 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.126 -5.392 -3.156 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.229 -4.118 -2.674 1.00 0.00 H new ATOM 0 HG LEU A 38 2.302 -4.033 -5.013 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.190 -2.274 -3.696 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.213 -3.830 -2.833 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.348 -2.540 -2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.008 -1.685 -5.257 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.238 -1.928 -3.994 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.357 -2.812 -5.534 1.00 0.00 H new ATOM 569 N ASP A 39 4.917 -7.594 -4.115 1.00 0.00 N ATOM 570 CA ASP A 39 5.396 -8.849 -3.549 1.00 0.00 C ATOM 571 C ASP A 39 5.091 -8.924 -2.056 1.00 0.00 C ATOM 572 O ASP A 39 5.862 -9.492 -1.283 1.00 0.00 O ATOM 573 CB ASP A 39 6.900 -8.998 -3.784 1.00 0.00 C ATOM 574 CG ASP A 39 7.400 -10.393 -3.465 1.00 0.00 C ATOM 575 OD1 ASP A 39 7.079 -11.327 -4.229 1.00 0.00 O ATOM 576 OD2 ASP A 39 8.112 -10.551 -2.450 1.00 0.00 O ATOM 0 H ASP A 39 4.169 -7.699 -4.801 1.00 0.00 H new ATOM 0 HA ASP A 39 4.876 -9.666 -4.049 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.127 -8.763 -4.824 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.434 -8.274 -3.169 1.00 0.00 H new ATOM 581 N TRP A 40 3.964 -8.346 -1.659 1.00 0.00 N ATOM 582 CA TRP A 40 3.558 -8.346 -0.258 1.00 0.00 C ATOM 583 C TRP A 40 2.221 -9.056 -0.078 1.00 0.00 C ATOM 584 O TRP A 40 1.666 -9.605 -1.031 1.00 0.00 O ATOM 585 CB TRP A 40 3.462 -6.912 0.267 1.00 0.00 C ATOM 586 CG TRP A 40 4.645 -6.066 -0.098 1.00 0.00 C ATOM 587 CD1 TRP A 40 5.917 -6.498 -0.343 1.00 0.00 C ATOM 588 CD2 TRP A 40 4.664 -4.643 -0.256 1.00 0.00 C ATOM 589 NE1 TRP A 40 6.726 -5.429 -0.644 1.00 0.00 N ATOM 590 CE2 TRP A 40 5.981 -4.280 -0.599 1.00 0.00 C ATOM 591 CE3 TRP A 40 3.697 -3.641 -0.145 1.00 0.00 C ATOM 592 CZ2 TRP A 40 6.353 -2.958 -0.828 1.00 0.00 C ATOM 593 CZ3 TRP A 40 4.067 -2.329 -0.372 1.00 0.00 C ATOM 594 CH2 TRP A 40 5.386 -1.997 -0.712 1.00 0.00 C ATOM 0 H TRP A 40 3.315 -7.871 -2.287 1.00 0.00 H new ATOM 0 HA TRP A 40 4.314 -8.885 0.313 1.00 0.00 H new ATOM 0 HB2 TRP A 40 2.557 -6.448 -0.126 1.00 0.00 H new ATOM 0 HB3 TRP A 40 3.362 -6.936 1.352 1.00 0.00 H new ATOM 0 HD1 TRP A 40 6.240 -7.528 -0.306 1.00 0.00 H new ATOM 0 HE1 TRP A 40 7.720 -5.482 -0.865 1.00 0.00 H new ATOM 0 HE3 TRP A 40 2.678 -3.887 0.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 7.369 -2.700 -1.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 3.328 -1.546 -0.286 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.644 -0.963 -0.886 1.00 0.00 H new ATOM 605 N ASP A 41 1.708 -9.042 1.147 1.00 0.00 N ATOM 606 CA ASP A 41 0.435 -9.684 1.451 1.00 0.00 C ATOM 607 C ASP A 41 -0.723 -8.706 1.276 1.00 0.00 C ATOM 608 O ASP A 41 -0.575 -7.505 1.506 1.00 0.00 O ATOM 609 CB ASP A 41 0.443 -10.233 2.878 1.00 0.00 C ATOM 610 CG ASP A 41 1.606 -11.173 3.130 1.00 0.00 C ATOM 611 OD1 ASP A 41 1.788 -12.119 2.334 1.00 0.00 O ATOM 612 OD2 ASP A 41 2.334 -10.963 4.122 1.00 0.00 O ATOM 0 H ASP A 41 2.155 -8.593 1.946 1.00 0.00 H new ATOM 0 HA ASP A 41 0.298 -10.510 0.753 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.491 -9.403 3.583 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.493 -10.759 3.067 1.00 0.00 H new ATOM 617 N VAL A 42 -1.875 -9.227 0.866 1.00 0.00 N ATOM 618 CA VAL A 42 -3.058 -8.400 0.660 1.00 0.00 C ATOM 619 C VAL A 42 -3.256 -7.427 1.817 1.00 0.00 C ATOM 620 O VAL A 42 -3.919 -6.400 1.671 1.00 0.00 O ATOM 621 CB VAL A 42 -4.325 -9.261 0.505 1.00 0.00 C ATOM 622 CG1 VAL A 42 -5.514 -8.397 0.113 1.00 0.00 C ATOM 623 CG2 VAL A 42 -4.097 -10.364 -0.518 1.00 0.00 C ATOM 0 H VAL A 42 -2.014 -10.218 0.670 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.895 -7.838 -0.260 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.546 -9.727 1.465 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.400 -9.023 0.008 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.689 -7.647 0.884 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.306 -7.901 -0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.002 -10.963 -0.615 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.850 -9.920 -1.483 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.275 -11.000 -0.190 1.00 0.00 H new ATOM 633 N ARG A 43 -2.677 -7.757 2.967 1.00 0.00 N ATOM 634 CA ARG A 43 -2.791 -6.913 4.150 1.00 0.00 C ATOM 635 C ARG A 43 -1.650 -5.901 4.207 1.00 0.00 C ATOM 636 O ARG A 43 -1.853 -4.742 4.570 1.00 0.00 O ATOM 637 CB ARG A 43 -2.791 -7.771 5.416 1.00 0.00 C ATOM 638 CG ARG A 43 -4.114 -8.471 5.678 1.00 0.00 C ATOM 639 CD ARG A 43 -4.137 -9.123 7.052 1.00 0.00 C ATOM 640 NE ARG A 43 -3.926 -8.153 8.122 1.00 0.00 N ATOM 641 CZ ARG A 43 -4.052 -8.443 9.412 1.00 0.00 C ATOM 642 NH1 ARG A 43 -4.386 -9.669 9.790 1.00 0.00 N ATOM 643 NH2 ARG A 43 -3.843 -7.505 10.328 1.00 0.00 N ATOM 0 H ARG A 43 -2.124 -8.603 3.104 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.733 -6.369 4.089 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.003 -8.520 5.337 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.547 -7.141 6.272 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.929 -7.751 5.602 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.284 -9.228 4.912 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.094 -9.623 7.200 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.365 -9.891 7.102 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.668 -7.200 7.865 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.547 -10.393 9.089 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.482 -9.889 10.781 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.585 -6.561 10.041 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -3.940 -7.729 11.318 1.00 0.00 H new ATOM 657 N SER A 44 -0.451 -6.348 3.848 1.00 0.00 N ATOM 658 CA SER A 44 0.723 -5.483 3.863 1.00 0.00 C ATOM 659 C SER A 44 0.532 -4.292 2.930 1.00 0.00 C ATOM 660 O SER A 44 1.055 -3.205 3.178 1.00 0.00 O ATOM 661 CB SER A 44 1.969 -6.271 3.454 1.00 0.00 C ATOM 662 OG SER A 44 2.334 -7.204 4.457 1.00 0.00 O ATOM 0 H SER A 44 -0.267 -7.304 3.543 1.00 0.00 H new ATOM 0 HA SER A 44 0.855 -5.109 4.878 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.781 -6.795 2.517 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.795 -5.583 3.274 1.00 0.00 H new ATOM 0 HG SER A 44 3.132 -7.696 4.171 1.00 0.00 H new ATOM 668 N ILE A 45 -0.221 -4.505 1.855 1.00 0.00 N ATOM 669 CA ILE A 45 -0.482 -3.449 0.885 1.00 0.00 C ATOM 670 C ILE A 45 -1.315 -2.330 1.501 1.00 0.00 C ATOM 671 O ILE A 45 -0.872 -1.185 1.579 1.00 0.00 O ATOM 672 CB ILE A 45 -1.212 -3.994 -0.357 1.00 0.00 C ATOM 673 CG1 ILE A 45 -0.466 -5.203 -0.925 1.00 0.00 C ATOM 674 CG2 ILE A 45 -1.349 -2.906 -1.411 1.00 0.00 C ATOM 675 CD1 ILE A 45 -1.126 -5.801 -2.147 1.00 0.00 C ATOM 0 H ILE A 45 -0.660 -5.399 1.635 1.00 0.00 H new ATOM 0 HA ILE A 45 0.487 -3.052 0.582 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.211 -4.314 -0.061 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.551 -4.905 -1.181 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.389 -5.968 -0.152 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.867 -3.307 -2.282 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.919 -2.072 -1.001 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.359 -2.558 -1.706 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.543 -6.653 -2.495 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.133 -6.130 -1.892 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.178 -5.051 -2.936 1.00 0.00 H new ATOM 687 N GLN A 46 -2.523 -2.671 1.938 1.00 0.00 N ATOM 688 CA GLN A 46 -3.418 -1.695 2.548 1.00 0.00 C ATOM 689 C GLN A 46 -2.641 -0.715 3.421 1.00 0.00 C ATOM 690 O GLN A 46 -2.852 0.496 3.350 1.00 0.00 O ATOM 691 CB GLN A 46 -4.486 -2.403 3.383 1.00 0.00 C ATOM 692 CG GLN A 46 -5.588 -3.039 2.550 1.00 0.00 C ATOM 693 CD GLN A 46 -6.812 -3.389 3.371 1.00 0.00 C ATOM 694 OE1 GLN A 46 -7.114 -2.733 4.369 1.00 0.00 O ATOM 695 NE2 GLN A 46 -7.526 -4.429 2.956 1.00 0.00 N ATOM 0 H GLN A 46 -2.904 -3.615 1.881 1.00 0.00 H new ATOM 0 HA GLN A 46 -3.903 -1.135 1.748 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.010 -3.174 3.989 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.931 -1.685 4.072 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -5.875 -2.355 1.751 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -5.204 -3.942 2.075 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -7.240 -4.945 2.124 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -8.361 -4.712 3.469 1.00 0.00 H new ATOM 704 N ARG A 47 -1.742 -1.246 4.242 1.00 0.00 N ATOM 705 CA ARG A 47 -0.934 -0.418 5.130 1.00 0.00 C ATOM 706 C ARG A 47 -0.442 0.833 4.408 1.00 0.00 C ATOM 707 O ARG A 47 -0.522 1.940 4.940 1.00 0.00 O ATOM 708 CB ARG A 47 0.259 -1.215 5.661 1.00 0.00 C ATOM 709 CG ARG A 47 -0.124 -2.285 6.670 1.00 0.00 C ATOM 710 CD ARG A 47 1.092 -2.804 7.421 1.00 0.00 C ATOM 711 NE ARG A 47 0.733 -3.810 8.417 1.00 0.00 N ATOM 712 CZ ARG A 47 1.614 -4.400 9.216 1.00 0.00 C ATOM 713 NH1 ARG A 47 2.900 -4.086 9.138 1.00 0.00 N ATOM 714 NH2 ARG A 47 1.210 -5.306 10.097 1.00 0.00 N ATOM 0 H ARG A 47 -1.554 -2.246 4.311 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.559 -0.111 5.968 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.773 -1.685 4.823 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.967 -0.528 6.124 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.844 -1.877 7.379 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.616 -3.111 6.157 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.800 -3.233 6.712 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.597 -1.972 7.912 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.248 -4.074 8.504 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.215 -3.389 8.463 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.574 -4.541 9.753 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.222 -5.550 10.161 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.888 -5.759 10.710 1.00 0.00 H new ATOM 728 N TRP A 48 0.066 0.649 3.195 1.00 0.00 N ATOM 729 CA TRP A 48 0.571 1.763 2.401 1.00 0.00 C ATOM 730 C TRP A 48 -0.555 2.722 2.030 1.00 0.00 C ATOM 731 O TRP A 48 -0.388 3.940 2.083 1.00 0.00 O ATOM 732 CB TRP A 48 1.254 1.244 1.134 1.00 0.00 C ATOM 733 CG TRP A 48 1.915 2.324 0.331 1.00 0.00 C ATOM 734 CD1 TRP A 48 3.238 2.663 0.347 1.00 0.00 C ATOM 735 CD2 TRP A 48 1.283 3.205 -0.603 1.00 0.00 C ATOM 736 NE1 TRP A 48 3.467 3.703 -0.522 1.00 0.00 N ATOM 737 CE2 TRP A 48 2.284 4.053 -1.118 1.00 0.00 C ATOM 738 CE3 TRP A 48 -0.029 3.360 -1.057 1.00 0.00 C ATOM 739 CZ2 TRP A 48 2.010 5.040 -2.061 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -0.299 4.341 -1.993 1.00 0.00 C ATOM 741 CH2 TRP A 48 0.717 5.170 -2.487 1.00 0.00 C ATOM 0 H TRP A 48 0.139 -0.261 2.740 1.00 0.00 H new ATOM 0 HA TRP A 48 1.300 2.305 3.003 1.00 0.00 H new ATOM 0 HB2 TRP A 48 2.000 0.499 1.411 1.00 0.00 H new ATOM 0 HB3 TRP A 48 0.515 0.739 0.512 1.00 0.00 H new ATOM 0 HD1 TRP A 48 3.993 2.184 0.953 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.371 4.143 -0.695 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.818 2.725 -0.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 2.791 5.681 -2.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -1.310 4.471 -2.350 1.00 0.00 H new ATOM 0 HH2 TRP A 48 0.474 5.926 -3.219 1.00 0.00 H new ATOM 752 N PHE A 49 -1.702 2.165 1.656 1.00 0.00 N ATOM 753 CA PHE A 49 -2.855 2.972 1.276 1.00 0.00 C ATOM 754 C PHE A 49 -3.394 3.748 2.474 1.00 0.00 C ATOM 755 O PHE A 49 -3.416 4.979 2.470 1.00 0.00 O ATOM 756 CB PHE A 49 -3.956 2.083 0.693 1.00 0.00 C ATOM 757 CG PHE A 49 -3.743 1.734 -0.752 1.00 0.00 C ATOM 758 CD1 PHE A 49 -3.909 2.690 -1.741 1.00 0.00 C ATOM 759 CD2 PHE A 49 -3.375 0.450 -1.122 1.00 0.00 C ATOM 760 CE1 PHE A 49 -3.714 2.371 -3.072 1.00 0.00 C ATOM 761 CE2 PHE A 49 -3.178 0.126 -2.451 1.00 0.00 C ATOM 762 CZ PHE A 49 -3.347 1.088 -3.427 1.00 0.00 C ATOM 0 H PHE A 49 -1.858 1.158 1.608 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.534 3.686 0.518 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -4.016 1.164 1.275 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.915 2.590 0.798 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.194 3.696 -1.469 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.241 -0.306 -0.363 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.849 3.125 -3.834 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.892 -0.879 -2.726 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.192 0.837 -4.466 1.00 0.00 H new ATOM 772 N ARG A 50 -3.828 3.020 3.497 1.00 0.00 N ATOM 773 CA ARG A 50 -4.368 3.640 4.701 1.00 0.00 C ATOM 774 C ARG A 50 -3.467 4.774 5.180 1.00 0.00 C ATOM 775 O ARG A 50 -3.946 5.787 5.688 1.00 0.00 O ATOM 776 CB ARG A 50 -4.527 2.597 5.809 1.00 0.00 C ATOM 777 CG ARG A 50 -3.206 2.119 6.390 1.00 0.00 C ATOM 778 CD ARG A 50 -3.422 1.133 7.528 1.00 0.00 C ATOM 779 NE ARG A 50 -3.758 1.807 8.779 1.00 0.00 N ATOM 780 CZ ARG A 50 -2.864 2.419 9.547 1.00 0.00 C ATOM 781 NH1 ARG A 50 -1.586 2.442 9.193 1.00 0.00 N ATOM 782 NH2 ARG A 50 -3.247 3.009 10.672 1.00 0.00 N ATOM 0 H ARG A 50 -3.816 2.000 3.516 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.346 4.055 4.459 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.135 3.019 6.609 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.072 1.740 5.414 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.612 1.648 5.607 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.636 2.974 6.752 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.222 0.442 7.262 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.520 0.537 7.668 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.733 1.808 9.079 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.288 1.989 8.329 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.901 2.913 9.785 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.229 2.993 10.948 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.560 3.479 11.261 1.00 0.00 H new ATOM 796 N GLN A 51 -2.160 4.594 5.015 1.00 0.00 N ATOM 797 CA GLN A 51 -1.193 5.602 5.433 1.00 0.00 C ATOM 798 C GLN A 51 -1.230 6.810 4.502 1.00 0.00 C ATOM 799 O GLN A 51 -1.385 7.946 4.949 1.00 0.00 O ATOM 800 CB GLN A 51 0.216 5.007 5.460 1.00 0.00 C ATOM 801 CG GLN A 51 0.477 4.117 6.664 1.00 0.00 C ATOM 802 CD GLN A 51 1.878 3.536 6.667 1.00 0.00 C ATOM 803 OE1 GLN A 51 2.398 3.135 5.626 1.00 0.00 O ATOM 804 NE2 GLN A 51 2.496 3.488 7.842 1.00 0.00 N ATOM 0 H GLN A 51 -1.747 3.761 4.596 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.460 5.931 6.437 1.00 0.00 H new ATOM 0 HB2 GLN A 51 0.375 4.429 4.550 1.00 0.00 H new ATOM 0 HB3 GLN A 51 0.944 5.818 5.453 1.00 0.00 H new ATOM 0 HG2 GLN A 51 0.325 4.693 7.577 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.249 3.304 6.675 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.026 3.832 8.680 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.440 3.107 7.907 1.00 0.00 H new ATOM 813 N ARG A 52 -1.084 6.556 3.205 1.00 0.00 N ATOM 814 CA ARG A 52 -1.099 7.623 2.212 1.00 0.00 C ATOM 815 C ARG A 52 -2.299 8.543 2.420 1.00 0.00 C ATOM 816 O ARG A 52 -2.152 9.764 2.494 1.00 0.00 O ATOM 817 CB ARG A 52 -1.134 7.034 0.800 1.00 0.00 C ATOM 818 CG ARG A 52 -0.851 8.053 -0.292 1.00 0.00 C ATOM 819 CD ARG A 52 0.558 8.614 -0.179 1.00 0.00 C ATOM 820 NE ARG A 52 1.568 7.559 -0.180 1.00 0.00 N ATOM 821 CZ ARG A 52 2.837 7.757 0.160 1.00 0.00 C ATOM 822 NH1 ARG A 52 3.249 8.964 0.525 1.00 0.00 N ATOM 823 NH2 ARG A 52 3.697 6.747 0.134 1.00 0.00 N ATOM 0 H ARG A 52 -0.954 5.621 2.818 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.188 8.209 2.332 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.402 6.229 0.733 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.114 6.589 0.625 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.981 7.587 -1.269 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.574 8.866 -0.228 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.745 9.296 -1.009 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.644 9.197 0.738 1.00 0.00 H new ATOM 0 HE ARG A 52 1.284 6.619 -0.457 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.591 9.743 0.545 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.224 9.113 0.786 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.384 5.818 -0.147 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.671 6.900 0.395 1.00 0.00 H new ATOM 837 N ARG A 53 -3.484 7.950 2.514 1.00 0.00 N ATOM 838 CA ARG A 53 -4.709 8.716 2.712 1.00 0.00 C ATOM 839 C ARG A 53 -4.503 9.808 3.757 1.00 0.00 C ATOM 840 O ARG A 53 -4.947 10.942 3.580 1.00 0.00 O ATOM 841 CB ARG A 53 -5.850 7.792 3.141 1.00 0.00 C ATOM 842 CG ARG A 53 -6.509 7.060 1.984 1.00 0.00 C ATOM 843 CD ARG A 53 -7.973 6.768 2.271 1.00 0.00 C ATOM 844 NE ARG A 53 -8.723 7.982 2.579 1.00 0.00 N ATOM 845 CZ ARG A 53 -9.088 8.873 1.663 1.00 0.00 C ATOM 846 NH1 ARG A 53 -8.774 8.685 0.389 1.00 0.00 N ATOM 847 NH2 ARG A 53 -9.770 9.954 2.021 1.00 0.00 N ATOM 0 H ARG A 53 -3.622 6.941 2.456 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.971 9.188 1.765 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.466 7.060 3.851 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.604 8.379 3.665 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.428 7.661 1.078 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.981 6.125 1.795 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.420 6.275 1.408 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.047 6.074 3.108 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.981 8.156 3.550 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.251 7.855 0.110 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -9.055 9.370 -0.312 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.015 10.102 3.000 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -10.049 10.637 1.317 1.00 0.00 H new ATOM 861 N ASN A 54 -3.829 9.458 4.847 1.00 0.00 N ATOM 862 CA ASN A 54 -3.566 10.408 5.922 1.00 0.00 C ATOM 863 C ASN A 54 -2.716 11.572 5.423 1.00 0.00 C ATOM 864 O ASN A 54 -2.980 12.729 5.747 1.00 0.00 O ATOM 865 CB ASN A 54 -2.861 9.710 7.087 1.00 0.00 C ATOM 866 CG ASN A 54 -2.695 10.618 8.290 1.00 0.00 C ATOM 867 OD1 ASN A 54 -2.757 11.842 8.171 1.00 0.00 O ATOM 868 ND2 ASN A 54 -2.481 10.021 9.457 1.00 0.00 N ATOM 0 H ASN A 54 -3.455 8.523 5.010 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.522 10.801 6.268 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -3.431 8.828 7.377 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.881 9.363 6.760 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.360 10.580 10.301 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.437 9.003 9.509 1.00 0.00 H new ATOM 875 N GLN A 55 -1.695 11.256 4.632 1.00 0.00 N ATOM 876 CA GLN A 55 -0.806 12.276 4.088 1.00 0.00 C ATOM 877 C GLN A 55 -1.565 13.222 3.163 1.00 0.00 C ATOM 878 O GLN A 55 -1.455 14.442 3.282 1.00 0.00 O ATOM 879 CB GLN A 55 0.352 11.623 3.332 1.00 0.00 C ATOM 880 CG GLN A 55 1.076 10.553 4.133 1.00 0.00 C ATOM 881 CD GLN A 55 2.535 10.421 3.745 1.00 0.00 C ATOM 882 OE1 GLN A 55 2.915 10.699 2.607 1.00 0.00 O ATOM 883 NE2 GLN A 55 3.363 9.995 4.692 1.00 0.00 N ATOM 0 H GLN A 55 -1.463 10.302 4.354 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.406 12.855 4.920 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.030 11.180 2.412 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.066 12.394 3.042 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.006 10.790 5.195 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.577 9.595 3.987 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.005 9.776 5.622 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.357 9.887 4.490 1.00 0.00 H new ATOM 892 N GLU A 56 -2.334 12.650 2.242 1.00 0.00 N ATOM 893 CA GLU A 56 -3.109 13.444 1.296 1.00 0.00 C ATOM 894 C GLU A 56 -4.399 13.948 1.937 1.00 0.00 C ATOM 895 O GLU A 56 -5.307 13.169 2.228 1.00 0.00 O ATOM 896 CB GLU A 56 -3.436 12.617 0.050 1.00 0.00 C ATOM 897 CG GLU A 56 -4.402 13.304 -0.901 1.00 0.00 C ATOM 898 CD GLU A 56 -3.974 14.718 -1.246 1.00 0.00 C ATOM 899 OE1 GLU A 56 -2.850 14.888 -1.763 1.00 0.00 O ATOM 900 OE2 GLU A 56 -4.764 15.653 -0.999 1.00 0.00 O ATOM 0 H GLU A 56 -2.437 11.641 2.131 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.507 14.305 1.005 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.511 12.396 -0.482 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.861 11.662 0.359 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.482 12.719 -1.817 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.394 13.328 -0.450 1.00 0.00 H new ATOM 907 N LYS A 57 -4.472 15.257 2.155 1.00 0.00 N ATOM 908 CA LYS A 57 -5.649 15.867 2.761 1.00 0.00 C ATOM 909 C LYS A 57 -6.523 16.532 1.703 1.00 0.00 C ATOM 910 O LYS A 57 -6.037 17.218 0.803 1.00 0.00 O ATOM 911 CB LYS A 57 -5.230 16.898 3.812 1.00 0.00 C ATOM 912 CG LYS A 57 -6.367 17.340 4.718 1.00 0.00 C ATOM 913 CD LYS A 57 -6.735 16.258 5.719 1.00 0.00 C ATOM 914 CE LYS A 57 -5.787 16.253 6.908 1.00 0.00 C ATOM 915 NZ LYS A 57 -6.086 17.358 7.861 1.00 0.00 N ATOM 0 H LYS A 57 -3.729 15.916 1.921 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.228 15.079 3.243 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.432 16.477 4.424 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.818 17.772 3.307 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.078 18.246 5.250 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.239 17.590 4.114 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.756 16.415 6.067 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.711 15.284 5.229 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.860 15.297 7.426 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.760 16.347 6.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.486 17.260 8.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.894 18.272 7.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.087 17.314 8.140 1.00 0.00 H new ATOM 929 N PRO A 58 -7.844 16.326 1.811 1.00 0.00 N ATOM 930 CA PRO A 58 -8.814 16.899 0.872 1.00 0.00 C ATOM 931 C PRO A 58 -8.938 18.412 1.018 1.00 0.00 C ATOM 932 O PRO A 58 -9.723 18.904 1.828 1.00 0.00 O ATOM 933 CB PRO A 58 -10.127 16.215 1.258 1.00 0.00 C ATOM 934 CG PRO A 58 -9.953 15.839 2.688 1.00 0.00 C ATOM 935 CD PRO A 58 -8.493 15.520 2.857 1.00 0.00 C ATOM 0 HA PRO A 58 -8.522 16.737 -0.166 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -10.976 16.885 1.126 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.314 15.338 0.638 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.253 16.655 3.345 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -10.573 14.979 2.944 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -8.136 15.789 3.851 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.296 14.456 2.724 1.00 0.00 H new ATOM 943 N SER A 59 -8.159 19.144 0.228 1.00 0.00 N ATOM 944 CA SER A 59 -8.180 20.601 0.272 1.00 0.00 C ATOM 945 C SER A 59 -9.159 21.162 -0.754 1.00 0.00 C ATOM 946 O SER A 59 -8.866 21.210 -1.948 1.00 0.00 O ATOM 947 CB SER A 59 -6.779 21.161 0.015 1.00 0.00 C ATOM 948 OG SER A 59 -6.742 22.561 0.227 1.00 0.00 O ATOM 0 H SER A 59 -7.506 18.752 -0.450 1.00 0.00 H new ATOM 0 HA SER A 59 -8.509 20.904 1.266 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.062 20.671 0.674 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.477 20.937 -1.008 1.00 0.00 H new ATOM 0 HG SER A 59 -5.836 22.894 0.058 1.00 0.00 H new ATOM 954 N GLY A 60 -10.327 21.586 -0.279 1.00 0.00 N ATOM 955 CA GLY A 60 -11.333 22.137 -1.167 1.00 0.00 C ATOM 956 C GLY A 60 -12.541 22.664 -0.418 1.00 0.00 C ATOM 957 O GLY A 60 -12.934 22.134 0.621 1.00 0.00 O ATOM 0 H GLY A 60 -10.594 21.557 0.705 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -10.893 22.943 -1.754 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.652 21.368 -1.871 1.00 0.00 H new ATOM 961 N PRO A 61 -13.151 23.734 -0.949 1.00 0.00 N ATOM 962 CA PRO A 61 -14.330 24.357 -0.340 1.00 0.00 C ATOM 963 C PRO A 61 -15.570 23.477 -0.444 1.00 0.00 C ATOM 964 O PRO A 61 -16.070 23.219 -1.539 1.00 0.00 O ATOM 965 CB PRO A 61 -14.515 25.640 -1.155 1.00 0.00 C ATOM 966 CG PRO A 61 -13.887 25.344 -2.474 1.00 0.00 C ATOM 967 CD PRO A 61 -12.737 24.418 -2.186 1.00 0.00 C ATOM 0 HA PRO A 61 -14.193 24.530 0.727 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -15.570 25.890 -1.266 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -14.035 26.490 -0.670 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.603 24.878 -3.151 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -13.541 26.259 -2.955 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.576 23.712 -3.001 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -11.805 24.966 -2.050 1.00 0.00 H new ATOM 975 N SER A 62 -16.062 23.018 0.703 1.00 0.00 N ATOM 976 CA SER A 62 -17.243 22.163 0.740 1.00 0.00 C ATOM 977 C SER A 62 -17.875 22.170 2.128 1.00 0.00 C ATOM 978 O SER A 62 -17.176 22.142 3.141 1.00 0.00 O ATOM 979 CB SER A 62 -16.875 20.732 0.342 1.00 0.00 C ATOM 980 OG SER A 62 -16.870 20.580 -1.067 1.00 0.00 O ATOM 0 H SER A 62 -15.661 23.224 1.618 1.00 0.00 H new ATOM 0 HA SER A 62 -17.968 22.556 0.027 1.00 0.00 H new ATOM 0 HB2 SER A 62 -15.892 20.481 0.741 1.00 0.00 H new ATOM 0 HB3 SER A 62 -17.586 20.034 0.784 1.00 0.00 H new ATOM 0 HG SER A 62 -16.637 21.434 -1.487 1.00 0.00 H new ATOM 986 N SER A 63 -19.203 22.208 2.167 1.00 0.00 N ATOM 987 CA SER A 63 -19.931 22.223 3.430 1.00 0.00 C ATOM 988 C SER A 63 -19.685 20.938 4.214 1.00 0.00 C ATOM 989 O SER A 63 -19.193 20.970 5.342 1.00 0.00 O ATOM 990 CB SER A 63 -21.430 22.401 3.177 1.00 0.00 C ATOM 991 OG SER A 63 -21.773 23.773 3.088 1.00 0.00 O ATOM 0 H SER A 63 -19.797 22.229 1.338 1.00 0.00 H new ATOM 0 HA SER A 63 -19.567 23.064 4.021 1.00 0.00 H new ATOM 0 HB2 SER A 63 -21.709 21.893 2.254 1.00 0.00 H new ATOM 0 HB3 SER A 63 -21.996 21.933 3.982 1.00 0.00 H new ATOM 0 HG SER A 63 -22.735 23.860 2.924 1.00 0.00 H new ATOM 997 N GLY A 64 -20.031 19.806 3.608 1.00 0.00 N ATOM 998 CA GLY A 64 -19.841 18.526 4.263 1.00 0.00 C ATOM 999 C GLY A 64 -20.704 17.434 3.663 1.00 0.00 C ATOM 1000 O GLY A 64 -21.719 17.715 3.026 1.00 0.00 O ATOM 0 H GLY A 64 -20.440 19.753 2.675 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -18.793 18.237 4.191 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -20.072 18.626 5.323 1.00 0.00 H new TER 1004 GLY A 64