USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=18 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+ 144:sc= 0.00421 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0691 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 180:sc= 0 USER MOD Single : A 10 GLN :FLIP amide:sc= -2.6 F(o=-3.4,f=-2.6) USER MOD Single : A 12 ASN :FLIP amide:sc= -0.141 F(o=-0.69,f=-0.14) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.0209 USER MOD Single : A 23 THR OG1 : rot 180:sc=-0.00499 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HE2:sc= -1.33 X(o=-1.3,f=-1.2) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 55:sc= 1.19 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 55 GLN : amide:sc= -3.25! C(o=-3.3!,f=-5.4!) USER MOD Single : A 57 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.0527) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= -0.148 USER MOD Single : A 63 SER OG : rot 7:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.943 16.338 -11.586 1.00 0.00 N ATOM 2 CA GLY A 1 16.517 15.994 -12.930 1.00 0.00 C ATOM 3 C GLY A 1 16.304 14.504 -13.107 1.00 0.00 C ATOM 4 O GLY A 1 17.085 13.694 -12.607 1.00 0.00 O ATOM 0 H1 GLY A 1 17.620 17.127 -11.627 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.116 16.620 -11.021 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.399 15.514 -11.145 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.591 16.520 -13.160 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.265 16.338 -13.644 1.00 0.00 H new ATOM 8 N SER A 2 15.243 14.140 -13.820 1.00 0.00 N ATOM 9 CA SER A 2 14.926 12.736 -14.057 1.00 0.00 C ATOM 10 C SER A 2 14.960 12.416 -15.549 1.00 0.00 C ATOM 11 O SER A 2 14.171 12.951 -16.328 1.00 0.00 O ATOM 12 CB SER A 2 13.549 12.398 -13.483 1.00 0.00 C ATOM 13 OG SER A 2 13.194 11.056 -13.767 1.00 0.00 O ATOM 0 H SER A 2 14.588 14.798 -14.244 1.00 0.00 H new ATOM 0 HA SER A 2 15.680 12.129 -13.555 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.552 12.556 -12.405 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.801 13.072 -13.902 1.00 0.00 H new ATOM 0 HG SER A 2 12.311 10.864 -13.388 1.00 0.00 H new ATOM 19 N SER A 3 15.880 11.539 -15.939 1.00 0.00 N ATOM 20 CA SER A 3 16.020 11.150 -17.337 1.00 0.00 C ATOM 21 C SER A 3 15.033 10.044 -17.695 1.00 0.00 C ATOM 22 O SER A 3 14.187 10.211 -18.572 1.00 0.00 O ATOM 23 CB SER A 3 17.450 10.683 -17.617 1.00 0.00 C ATOM 24 OG SER A 3 17.846 9.677 -16.701 1.00 0.00 O ATOM 0 H SER A 3 16.539 11.085 -15.307 1.00 0.00 H new ATOM 0 HA SER A 3 15.802 12.021 -17.955 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.518 10.300 -18.635 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.133 11.530 -17.549 1.00 0.00 H new ATOM 0 HG SER A 3 18.763 9.394 -16.902 1.00 0.00 H new ATOM 30 N GLY A 4 15.147 8.911 -17.007 1.00 0.00 N ATOM 31 CA GLY A 4 14.259 7.793 -17.266 1.00 0.00 C ATOM 32 C GLY A 4 14.914 6.455 -16.986 1.00 0.00 C ATOM 33 O GLY A 4 16.125 6.303 -17.150 1.00 0.00 O ATOM 0 H GLY A 4 15.839 8.748 -16.275 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.365 7.893 -16.650 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.934 7.824 -18.306 1.00 0.00 H new ATOM 37 N SER A 5 14.114 5.484 -16.560 1.00 0.00 N ATOM 38 CA SER A 5 14.624 4.153 -16.251 1.00 0.00 C ATOM 39 C SER A 5 13.942 3.095 -17.114 1.00 0.00 C ATOM 40 O SER A 5 12.994 3.390 -17.841 1.00 0.00 O ATOM 41 CB SER A 5 14.412 3.834 -14.770 1.00 0.00 C ATOM 42 OG SER A 5 15.418 4.432 -13.971 1.00 0.00 O ATOM 0 H SER A 5 13.110 5.593 -16.421 1.00 0.00 H new ATOM 0 HA SER A 5 15.692 4.141 -16.469 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.432 4.192 -14.454 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.420 2.754 -14.622 1.00 0.00 H new ATOM 0 HG SER A 5 15.259 4.215 -13.029 1.00 0.00 H new ATOM 48 N SER A 6 14.432 1.863 -17.026 1.00 0.00 N ATOM 49 CA SER A 6 13.873 0.761 -17.801 1.00 0.00 C ATOM 50 C SER A 6 12.349 0.763 -17.726 1.00 0.00 C ATOM 51 O SER A 6 11.666 0.648 -18.743 1.00 0.00 O ATOM 52 CB SER A 6 14.418 -0.575 -17.293 1.00 0.00 C ATOM 53 OG SER A 6 15.764 -0.763 -17.697 1.00 0.00 O ATOM 0 H SER A 6 15.215 1.602 -16.426 1.00 0.00 H new ATOM 0 HA SER A 6 14.169 0.894 -18.842 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.353 -0.608 -16.205 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.803 -1.391 -17.674 1.00 0.00 H new ATOM 0 HG SER A 6 16.090 -1.623 -17.359 1.00 0.00 H new ATOM 59 N GLY A 7 11.822 0.895 -16.513 1.00 0.00 N ATOM 60 CA GLY A 7 10.383 0.909 -16.326 1.00 0.00 C ATOM 61 C GLY A 7 9.986 1.255 -14.905 1.00 0.00 C ATOM 62 O GLY A 7 10.826 1.275 -14.004 1.00 0.00 O ATOM 0 H GLY A 7 12.366 0.993 -15.656 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.938 1.631 -17.010 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.977 -0.068 -16.586 1.00 0.00 H new ATOM 66 N THR A 8 8.701 1.530 -14.701 1.00 0.00 N ATOM 67 CA THR A 8 8.195 1.880 -13.380 1.00 0.00 C ATOM 68 C THR A 8 7.584 0.668 -12.687 1.00 0.00 C ATOM 69 O THR A 8 6.381 0.427 -12.784 1.00 0.00 O ATOM 70 CB THR A 8 7.138 2.998 -13.462 1.00 0.00 C ATOM 71 OG1 THR A 8 7.647 4.100 -14.221 1.00 0.00 O ATOM 72 CG2 THR A 8 6.744 3.472 -12.071 1.00 0.00 C ATOM 0 H THR A 8 7.992 1.517 -15.434 1.00 0.00 H new ATOM 0 HA THR A 8 9.046 2.236 -12.799 1.00 0.00 H new ATOM 0 HB THR A 8 6.254 2.596 -13.956 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.968 4.805 -14.269 1.00 0.00 H new ATOM 0 HG21 THR A 8 5.997 4.261 -12.154 1.00 0.00 H new ATOM 0 HG22 THR A 8 6.329 2.637 -11.506 1.00 0.00 H new ATOM 0 HG23 THR A 8 7.623 3.858 -11.555 1.00 0.00 H new ATOM 80 N ALA A 9 8.420 -0.092 -11.987 1.00 0.00 N ATOM 81 CA ALA A 9 7.961 -1.278 -11.275 1.00 0.00 C ATOM 82 C ALA A 9 8.236 -1.162 -9.780 1.00 0.00 C ATOM 83 O ALA A 9 8.138 -2.143 -9.044 1.00 0.00 O ATOM 84 CB ALA A 9 8.627 -2.524 -11.841 1.00 0.00 C ATOM 0 H ALA A 9 9.419 0.093 -11.898 1.00 0.00 H new ATOM 0 HA ALA A 9 6.883 -1.360 -11.414 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.275 -3.402 -11.300 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.375 -2.623 -12.897 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.708 -2.440 -11.732 1.00 0.00 H new ATOM 90 N GLN A 10 8.580 0.044 -9.339 1.00 0.00 N ATOM 91 CA GLN A 10 8.870 0.287 -7.930 1.00 0.00 C ATOM 92 C GLN A 10 7.687 -0.111 -7.054 1.00 0.00 C ATOM 93 O GLN A 10 6.534 -0.106 -7.486 1.00 0.00 O ATOM 94 CB GLN A 10 9.215 1.760 -7.706 1.00 0.00 C ATOM 95 CG GLN A 10 10.491 2.200 -8.405 1.00 0.00 C ATOM 96 CD GLN A 10 10.285 2.462 -9.884 1.00 0.00 C ATOM 97 OE1 GLN A 10 9.587 3.546 -10.202 1.00 0.00 O flip ATOM 98 NE2 GLN A 10 10.748 1.699 -10.732 1.00 0.00 N flip ATOM 0 H GLN A 10 8.665 0.867 -9.936 1.00 0.00 H new ATOM 0 HA GLN A 10 9.727 -0.326 -7.650 1.00 0.00 H new ATOM 0 HB2 GLN A 10 8.387 2.376 -8.058 1.00 0.00 H new ATOM 0 HB3 GLN A 10 9.316 1.942 -6.636 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.868 3.105 -7.929 1.00 0.00 H new ATOM 0 HG3 GLN A 10 11.254 1.432 -8.279 1.00 0.00 H new ATOM 0 HE21 GLN A 10 11.279 0.877 -10.443 1.00 0.00 H new ATOM 0 HE22 GLN A 10 10.601 1.889 -11.723 1.00 0.00 H new ATOM 107 N PRO A 11 7.976 -0.463 -5.793 1.00 0.00 N ATOM 108 CA PRO A 11 6.949 -0.870 -4.829 1.00 0.00 C ATOM 109 C PRO A 11 6.060 0.294 -4.404 1.00 0.00 C ATOM 110 O PRO A 11 4.905 0.100 -4.029 1.00 0.00 O ATOM 111 CB PRO A 11 7.762 -1.384 -3.639 1.00 0.00 C ATOM 112 CG PRO A 11 9.070 -0.677 -3.740 1.00 0.00 C ATOM 113 CD PRO A 11 9.328 -0.492 -5.210 1.00 0.00 C ATOM 0 HA PRO A 11 6.268 -1.610 -5.248 1.00 0.00 H new ATOM 0 HB2 PRO A 11 7.264 -1.163 -2.695 1.00 0.00 H new ATOM 0 HB3 PRO A 11 7.892 -2.465 -3.686 1.00 0.00 H new ATOM 0 HG2 PRO A 11 9.035 0.284 -3.226 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.865 -1.259 -3.274 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.871 0.432 -5.409 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.925 -1.307 -5.619 1.00 0.00 H new ATOM 121 N ASN A 12 6.607 1.504 -4.466 1.00 0.00 N ATOM 122 CA ASN A 12 5.863 2.699 -4.087 1.00 0.00 C ATOM 123 C ASN A 12 5.287 3.394 -5.317 1.00 0.00 C ATOM 124 O ASN A 12 4.105 3.734 -5.353 1.00 0.00 O ATOM 125 CB ASN A 12 6.767 3.665 -3.318 1.00 0.00 C ATOM 126 CG ASN A 12 7.835 2.945 -2.518 1.00 0.00 C ATOM 127 OD1 ASN A 12 7.448 1.861 -1.856 1.00 0.00 O flip ATOM 128 ND2 ASN A 12 8.994 3.359 -2.496 1.00 0.00 N flip ATOM 0 H ASN A 12 7.563 1.682 -4.775 1.00 0.00 H new ATOM 0 HA ASN A 12 5.037 2.394 -3.444 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.243 4.350 -4.020 1.00 0.00 H new ATOM 0 HB3 ASN A 12 6.159 4.270 -2.645 1.00 0.00 H new ATOM 0 HD21 ASN A 12 9.246 4.197 -3.020 1.00 0.00 H new ATOM 0 HD22 ASN A 12 9.702 2.864 -1.953 1.00 0.00 H new ATOM 135 N ALA A 13 6.130 3.601 -6.322 1.00 0.00 N ATOM 136 CA ALA A 13 5.705 4.253 -7.555 1.00 0.00 C ATOM 137 C ALA A 13 4.365 3.703 -8.032 1.00 0.00 C ATOM 138 O ALA A 13 3.445 4.463 -8.337 1.00 0.00 O ATOM 139 CB ALA A 13 6.763 4.081 -8.635 1.00 0.00 C ATOM 0 H ALA A 13 7.112 3.327 -6.307 1.00 0.00 H new ATOM 0 HA ALA A 13 5.580 5.316 -7.351 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.432 4.573 -9.550 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.700 4.528 -8.301 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.916 3.019 -8.829 1.00 0.00 H new ATOM 145 N ILE A 14 4.261 2.380 -8.094 1.00 0.00 N ATOM 146 CA ILE A 14 3.033 1.730 -8.534 1.00 0.00 C ATOM 147 C ILE A 14 1.869 2.074 -7.611 1.00 0.00 C ATOM 148 O ILE A 14 0.851 2.610 -8.051 1.00 0.00 O ATOM 149 CB ILE A 14 3.195 0.200 -8.589 1.00 0.00 C ATOM 150 CG1 ILE A 14 4.421 -0.175 -9.423 1.00 0.00 C ATOM 151 CG2 ILE A 14 1.941 -0.445 -9.162 1.00 0.00 C ATOM 152 CD1 ILE A 14 4.885 -1.599 -9.210 1.00 0.00 C ATOM 0 H ILE A 14 5.013 1.737 -7.845 1.00 0.00 H new ATOM 0 HA ILE A 14 2.821 2.101 -9.537 1.00 0.00 H new ATOM 0 HB ILE A 14 3.341 -0.172 -7.575 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.190 -0.031 -10.478 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.238 0.505 -9.180 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.071 -1.527 -9.195 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.086 -0.201 -8.532 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.767 -0.070 -10.171 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.758 -1.794 -9.833 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.148 -1.743 -8.162 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.084 -2.287 -9.481 1.00 0.00 H new ATOM 164 N LEU A 15 2.026 1.764 -6.329 1.00 0.00 N ATOM 165 CA LEU A 15 0.988 2.042 -5.342 1.00 0.00 C ATOM 166 C LEU A 15 0.433 3.452 -5.517 1.00 0.00 C ATOM 167 O LEU A 15 -0.771 3.674 -5.399 1.00 0.00 O ATOM 168 CB LEU A 15 1.544 1.872 -3.927 1.00 0.00 C ATOM 169 CG LEU A 15 1.436 0.470 -3.327 1.00 0.00 C ATOM 170 CD1 LEU A 15 2.356 0.332 -2.124 1.00 0.00 C ATOM 171 CD2 LEU A 15 -0.004 0.167 -2.937 1.00 0.00 C ATOM 0 H LEU A 15 2.862 1.320 -5.948 1.00 0.00 H new ATOM 0 HA LEU A 15 0.176 1.331 -5.495 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.595 2.163 -3.934 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.025 2.568 -3.268 1.00 0.00 H new ATOM 0 HG LEU A 15 1.747 -0.253 -4.081 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.266 -0.672 -1.710 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.387 0.506 -2.432 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.076 1.063 -1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.063 -0.835 -2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.342 0.895 -2.199 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.640 0.224 -3.820 1.00 0.00 H new ATOM 183 N GLU A 16 1.320 4.400 -5.802 1.00 0.00 N ATOM 184 CA GLU A 16 0.918 5.788 -5.995 1.00 0.00 C ATOM 185 C GLU A 16 0.125 5.950 -7.289 1.00 0.00 C ATOM 186 O GLU A 16 -0.723 6.836 -7.405 1.00 0.00 O ATOM 187 CB GLU A 16 2.147 6.700 -6.020 1.00 0.00 C ATOM 188 CG GLU A 16 1.833 8.153 -5.705 1.00 0.00 C ATOM 189 CD GLU A 16 3.082 8.997 -5.540 1.00 0.00 C ATOM 190 OE1 GLU A 16 4.036 8.525 -4.887 1.00 0.00 O ATOM 191 OE2 GLU A 16 3.105 10.130 -6.065 1.00 0.00 O ATOM 0 H GLU A 16 2.321 4.232 -5.904 1.00 0.00 H new ATOM 0 HA GLU A 16 0.279 6.074 -5.159 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.878 6.331 -5.300 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.612 6.643 -7.004 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.220 8.570 -6.504 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.242 8.203 -4.791 1.00 0.00 H new ATOM 198 N LYS A 17 0.406 5.088 -8.260 1.00 0.00 N ATOM 199 CA LYS A 17 -0.280 5.133 -9.546 1.00 0.00 C ATOM 200 C LYS A 17 -1.749 4.752 -9.392 1.00 0.00 C ATOM 201 O LYS A 17 -2.637 5.594 -9.527 1.00 0.00 O ATOM 202 CB LYS A 17 0.400 4.192 -10.543 1.00 0.00 C ATOM 203 CG LYS A 17 -0.294 4.132 -11.893 1.00 0.00 C ATOM 204 CD LYS A 17 0.333 3.082 -12.795 1.00 0.00 C ATOM 205 CE LYS A 17 -0.320 3.068 -14.169 1.00 0.00 C ATOM 206 NZ LYS A 17 -0.030 1.807 -14.907 1.00 0.00 N ATOM 0 H LYS A 17 1.105 4.349 -8.181 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.225 6.154 -9.924 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.431 4.514 -10.688 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.436 3.189 -10.117 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.351 3.907 -11.750 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.239 5.108 -12.376 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.400 3.280 -12.900 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.235 2.099 -12.334 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.398 3.186 -14.060 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.036 3.919 -14.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.492 1.836 -15.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.997 1.707 -15.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.393 0.997 -14.365 1.00 0.00 H new ATOM 220 N VAL A 18 -1.999 3.478 -9.109 1.00 0.00 N ATOM 221 CA VAL A 18 -3.360 2.986 -8.934 1.00 0.00 C ATOM 222 C VAL A 18 -4.123 3.829 -7.918 1.00 0.00 C ATOM 223 O VAL A 18 -5.349 3.762 -7.836 1.00 0.00 O ATOM 224 CB VAL A 18 -3.371 1.515 -8.476 1.00 0.00 C ATOM 225 CG1 VAL A 18 -4.784 0.953 -8.517 1.00 0.00 C ATOM 226 CG2 VAL A 18 -2.432 0.683 -9.336 1.00 0.00 C ATOM 0 H VAL A 18 -1.276 2.767 -8.996 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.850 3.060 -9.905 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.018 1.471 -7.446 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.772 -0.087 -8.190 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.426 1.534 -7.855 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.168 1.009 -9.535 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.452 -0.353 -8.999 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.752 0.732 -10.377 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.418 1.073 -9.250 1.00 0.00 H new ATOM 236 N PHE A 19 -3.389 4.623 -7.146 1.00 0.00 N ATOM 237 CA PHE A 19 -3.996 5.480 -6.135 1.00 0.00 C ATOM 238 C PHE A 19 -4.833 6.579 -6.784 1.00 0.00 C ATOM 239 O PHE A 19 -5.809 7.057 -6.204 1.00 0.00 O ATOM 240 CB PHE A 19 -2.915 6.102 -5.248 1.00 0.00 C ATOM 241 CG PHE A 19 -3.467 6.943 -4.132 1.00 0.00 C ATOM 242 CD1 PHE A 19 -4.015 8.189 -4.391 1.00 0.00 C ATOM 243 CD2 PHE A 19 -3.436 6.487 -2.824 1.00 0.00 C ATOM 244 CE1 PHE A 19 -4.523 8.965 -3.366 1.00 0.00 C ATOM 245 CE2 PHE A 19 -3.944 7.258 -1.795 1.00 0.00 C ATOM 246 CZ PHE A 19 -4.487 8.499 -2.066 1.00 0.00 C ATOM 0 H PHE A 19 -2.373 4.691 -7.201 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.652 4.865 -5.519 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.302 5.307 -4.824 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.259 6.716 -5.865 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.046 8.558 -5.405 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.010 5.519 -2.606 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.948 9.934 -3.581 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.916 6.890 -0.780 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.883 9.104 -1.263 1.00 0.00 H new ATOM 256 N THR A 20 -4.443 6.976 -7.991 1.00 0.00 N ATOM 257 CA THR A 20 -5.155 8.019 -8.719 1.00 0.00 C ATOM 258 C THR A 20 -5.666 7.503 -10.059 1.00 0.00 C ATOM 259 O THR A 20 -6.765 7.851 -10.490 1.00 0.00 O ATOM 260 CB THR A 20 -4.256 9.246 -8.963 1.00 0.00 C ATOM 261 OG1 THR A 20 -3.255 8.934 -9.938 1.00 0.00 O ATOM 262 CG2 THR A 20 -3.591 9.696 -7.671 1.00 0.00 C ATOM 0 H THR A 20 -3.638 6.591 -8.485 1.00 0.00 H new ATOM 0 HA THR A 20 -6.002 8.315 -8.100 1.00 0.00 H new ATOM 0 HB THR A 20 -4.881 10.059 -9.333 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.689 9.720 -10.089 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.961 10.564 -7.869 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.356 9.962 -6.941 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.978 8.886 -7.276 1.00 0.00 H new ATOM 270 N ALA A 21 -4.862 6.671 -10.713 1.00 0.00 N ATOM 271 CA ALA A 21 -5.236 6.105 -12.004 1.00 0.00 C ATOM 272 C ALA A 21 -6.483 5.235 -11.882 1.00 0.00 C ATOM 273 O ALA A 21 -7.299 5.172 -12.801 1.00 0.00 O ATOM 274 CB ALA A 21 -4.082 5.298 -12.580 1.00 0.00 C ATOM 0 H ALA A 21 -3.948 6.374 -10.371 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.464 6.928 -12.681 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.375 4.881 -13.544 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.216 5.946 -12.713 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.828 4.488 -11.897 1.00 0.00 H new ATOM 280 N ILE A 22 -6.623 4.566 -10.742 1.00 0.00 N ATOM 281 CA ILE A 22 -7.771 3.701 -10.501 1.00 0.00 C ATOM 282 C ILE A 22 -8.591 4.195 -9.314 1.00 0.00 C ATOM 283 O ILE A 22 -9.714 4.673 -9.477 1.00 0.00 O ATOM 284 CB ILE A 22 -7.335 2.247 -10.240 1.00 0.00 C ATOM 285 CG1 ILE A 22 -6.608 1.683 -11.463 1.00 0.00 C ATOM 286 CG2 ILE A 22 -8.540 1.388 -9.891 1.00 0.00 C ATOM 287 CD1 ILE A 22 -6.685 0.176 -11.569 1.00 0.00 C ATOM 0 H ILE A 22 -5.956 4.607 -9.971 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.384 3.732 -11.402 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.648 2.235 -9.394 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.033 2.125 -12.364 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.561 1.984 -11.424 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.216 0.363 -9.709 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -9.020 1.781 -8.995 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.249 1.403 -10.718 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.149 -0.154 -12.459 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.234 -0.274 -10.685 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.728 -0.131 -11.640 1.00 0.00 H new ATOM 299 N THR A 23 -8.023 4.077 -8.118 1.00 0.00 N ATOM 300 CA THR A 23 -8.700 4.511 -6.904 1.00 0.00 C ATOM 301 C THR A 23 -7.724 4.617 -5.737 1.00 0.00 C ATOM 302 O THR A 23 -6.678 3.968 -5.729 1.00 0.00 O ATOM 303 CB THR A 23 -9.839 3.547 -6.520 1.00 0.00 C ATOM 304 OG1 THR A 23 -10.578 4.077 -5.414 1.00 0.00 O ATOM 305 CG2 THR A 23 -9.288 2.176 -6.158 1.00 0.00 C ATOM 0 H THR A 23 -7.094 3.684 -7.965 1.00 0.00 H new ATOM 0 HA THR A 23 -9.121 5.495 -7.112 1.00 0.00 H new ATOM 0 HB THR A 23 -10.500 3.440 -7.380 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.301 3.459 -5.177 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.110 1.512 -5.890 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.751 1.763 -7.012 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.607 2.269 -5.312 1.00 0.00 H new ATOM 313 N LYS A 24 -8.074 5.437 -4.752 1.00 0.00 N ATOM 314 CA LYS A 24 -7.230 5.626 -3.578 1.00 0.00 C ATOM 315 C LYS A 24 -7.436 4.498 -2.572 1.00 0.00 C ATOM 316 O LYS A 24 -6.480 4.007 -1.970 1.00 0.00 O ATOM 317 CB LYS A 24 -7.533 6.973 -2.918 1.00 0.00 C ATOM 318 CG LYS A 24 -7.687 8.114 -3.909 1.00 0.00 C ATOM 319 CD LYS A 24 -8.104 9.401 -3.217 1.00 0.00 C ATOM 320 CE LYS A 24 -8.153 10.568 -4.191 1.00 0.00 C ATOM 321 NZ LYS A 24 -8.428 11.858 -3.500 1.00 0.00 N ATOM 0 H LYS A 24 -8.936 5.981 -4.743 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.190 5.613 -3.904 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.449 6.884 -2.334 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.732 7.215 -2.220 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.745 8.271 -4.434 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.430 7.847 -4.661 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.084 9.267 -2.758 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.403 9.626 -2.413 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.204 10.637 -4.723 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.925 10.385 -4.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.453 12.628 -4.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.345 11.802 -3.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.678 12.046 -2.805 1.00 0.00 H new ATOM 335 N HIS A 25 -8.689 4.090 -2.396 1.00 0.00 N ATOM 336 CA HIS A 25 -9.019 3.018 -1.464 1.00 0.00 C ATOM 337 C HIS A 25 -9.488 1.773 -2.212 1.00 0.00 C ATOM 338 O HIS A 25 -10.683 1.500 -2.324 1.00 0.00 O ATOM 339 CB HIS A 25 -10.102 3.478 -0.487 1.00 0.00 C ATOM 340 CG HIS A 25 -9.698 4.658 0.342 1.00 0.00 C ATOM 341 ND1 HIS A 25 -8.829 4.567 1.408 1.00 0.00 N ATOM 342 CD2 HIS A 25 -10.050 5.962 0.255 1.00 0.00 C ATOM 343 CE1 HIS A 25 -8.664 5.764 1.942 1.00 0.00 C ATOM 344 NE2 HIS A 25 -9.394 6.629 1.261 1.00 0.00 N ATOM 0 H HIS A 25 -9.492 4.485 -2.886 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.118 2.767 -0.904 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.003 3.729 -1.047 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -10.359 2.650 0.174 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -8.383 3.709 1.734 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -10.722 6.397 -0.470 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -8.038 5.996 2.791 1.00 0.00 H new ATOM 353 N PRO A 26 -8.526 1.000 -2.737 1.00 0.00 N ATOM 354 CA PRO A 26 -8.816 -0.227 -3.484 1.00 0.00 C ATOM 355 C PRO A 26 -9.354 -1.338 -2.588 1.00 0.00 C ATOM 356 O PRO A 26 -9.058 -1.382 -1.393 1.00 0.00 O ATOM 357 CB PRO A 26 -7.454 -0.621 -4.063 1.00 0.00 C ATOM 358 CG PRO A 26 -6.459 -0.012 -3.137 1.00 0.00 C ATOM 359 CD PRO A 26 -7.080 1.265 -2.642 1.00 0.00 C ATOM 0 HA PRO A 26 -9.587 -0.071 -4.239 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.341 -1.704 -4.108 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -7.332 -0.245 -5.079 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -6.235 -0.684 -2.308 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.518 0.185 -3.650 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -6.779 1.488 -1.619 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.787 2.118 -3.254 1.00 0.00 H new ATOM 367 N ASP A 27 -10.145 -2.231 -3.171 1.00 0.00 N ATOM 368 CA ASP A 27 -10.724 -3.343 -2.425 1.00 0.00 C ATOM 369 C ASP A 27 -9.738 -4.503 -2.327 1.00 0.00 C ATOM 370 O ASP A 27 -8.699 -4.504 -2.987 1.00 0.00 O ATOM 371 CB ASP A 27 -12.019 -3.812 -3.090 1.00 0.00 C ATOM 372 CG ASP A 27 -13.196 -2.914 -2.762 1.00 0.00 C ATOM 373 OD1 ASP A 27 -12.980 -1.699 -2.571 1.00 0.00 O ATOM 374 OD2 ASP A 27 -14.333 -3.427 -2.697 1.00 0.00 O ATOM 0 H ASP A 27 -10.400 -2.207 -4.158 1.00 0.00 H new ATOM 0 HA ASP A 27 -10.949 -2.995 -1.417 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.879 -3.842 -4.171 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -12.241 -4.830 -2.769 1.00 0.00 H new ATOM 379 N GLU A 28 -10.072 -5.488 -1.499 1.00 0.00 N ATOM 380 CA GLU A 28 -9.214 -6.653 -1.315 1.00 0.00 C ATOM 381 C GLU A 28 -8.881 -7.301 -2.655 1.00 0.00 C ATOM 382 O GLU A 28 -7.739 -7.691 -2.903 1.00 0.00 O ATOM 383 CB GLU A 28 -9.893 -7.673 -0.397 1.00 0.00 C ATOM 384 CG GLU A 28 -11.064 -8.390 -1.047 1.00 0.00 C ATOM 385 CD GLU A 28 -11.748 -9.362 -0.104 1.00 0.00 C ATOM 386 OE1 GLU A 28 -11.037 -10.135 0.570 1.00 0.00 O ATOM 387 OE2 GLU A 28 -12.996 -9.348 -0.041 1.00 0.00 O ATOM 0 H GLU A 28 -10.929 -5.503 -0.946 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.285 -6.319 -0.852 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.156 -8.411 -0.080 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.242 -7.165 0.502 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.789 -7.654 -1.393 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.712 -8.929 -1.927 1.00 0.00 H new ATOM 394 N LYS A 29 -9.885 -7.414 -3.518 1.00 0.00 N ATOM 395 CA LYS A 29 -9.701 -8.013 -4.834 1.00 0.00 C ATOM 396 C LYS A 29 -8.670 -7.236 -5.646 1.00 0.00 C ATOM 397 O LYS A 29 -7.695 -7.805 -6.137 1.00 0.00 O ATOM 398 CB LYS A 29 -11.032 -8.058 -5.588 1.00 0.00 C ATOM 399 CG LYS A 29 -11.944 -9.188 -5.144 1.00 0.00 C ATOM 400 CD LYS A 29 -12.849 -8.758 -4.001 1.00 0.00 C ATOM 401 CE LYS A 29 -13.861 -9.840 -3.654 1.00 0.00 C ATOM 402 NZ LYS A 29 -15.116 -9.266 -3.093 1.00 0.00 N ATOM 0 H LYS A 29 -10.836 -7.098 -3.329 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.336 -9.030 -4.694 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.550 -7.109 -5.451 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.833 -8.161 -6.655 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.552 -9.518 -5.986 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.342 -10.041 -4.831 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.245 -8.529 -3.123 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.373 -7.842 -4.275 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.094 -10.419 -4.547 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.423 -10.529 -2.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -15.780 -10.035 -2.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.897 -8.734 -2.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.548 -8.628 -3.791 1.00 0.00 H new ATOM 416 N ARG A 30 -8.892 -5.933 -5.783 1.00 0.00 N ATOM 417 CA ARG A 30 -7.982 -5.078 -6.536 1.00 0.00 C ATOM 418 C ARG A 30 -6.566 -5.164 -5.975 1.00 0.00 C ATOM 419 O ARG A 30 -5.607 -5.397 -6.713 1.00 0.00 O ATOM 420 CB ARG A 30 -8.468 -3.627 -6.504 1.00 0.00 C ATOM 421 CG ARG A 30 -7.961 -2.790 -7.667 1.00 0.00 C ATOM 422 CD ARG A 30 -6.638 -2.118 -7.335 1.00 0.00 C ATOM 423 NE ARG A 30 -5.495 -2.967 -7.663 1.00 0.00 N ATOM 424 CZ ARG A 30 -5.023 -3.119 -8.895 1.00 0.00 C ATOM 425 NH1 ARG A 30 -5.591 -2.483 -9.910 1.00 0.00 N ATOM 426 NH2 ARG A 30 -3.979 -3.909 -9.113 1.00 0.00 N ATOM 0 H ARG A 30 -9.694 -5.446 -5.383 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.967 -5.426 -7.569 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.558 -3.617 -6.508 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.149 -3.166 -5.569 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.838 -3.423 -8.546 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.702 -2.032 -7.921 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.561 -1.179 -7.883 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.613 -1.871 -6.274 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.035 -3.470 -6.905 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.393 -1.875 -9.746 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.226 -2.602 -10.855 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -3.539 -4.399 -8.334 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.617 -4.026 -10.059 1.00 0.00 H new ATOM 440 N LEU A 31 -6.442 -4.974 -4.666 1.00 0.00 N ATOM 441 CA LEU A 31 -5.142 -5.029 -4.005 1.00 0.00 C ATOM 442 C LEU A 31 -4.358 -6.260 -4.448 1.00 0.00 C ATOM 443 O LEU A 31 -3.156 -6.183 -4.703 1.00 0.00 O ATOM 444 CB LEU A 31 -5.321 -5.044 -2.486 1.00 0.00 C ATOM 445 CG LEU A 31 -6.051 -3.843 -1.884 1.00 0.00 C ATOM 446 CD1 LEU A 31 -6.801 -4.250 -0.625 1.00 0.00 C ATOM 447 CD2 LEU A 31 -5.071 -2.718 -1.584 1.00 0.00 C ATOM 0 H LEU A 31 -7.225 -4.781 -4.041 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.579 -4.140 -4.290 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.865 -5.948 -2.213 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.336 -5.113 -2.025 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.776 -3.481 -2.613 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.314 -3.382 -0.211 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.532 -5.021 -0.870 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.095 -4.639 0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.608 -1.872 -1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.321 -3.068 -0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.580 -2.407 -2.506 1.00 0.00 H new ATOM 459 N GLU A 32 -5.047 -7.393 -4.540 1.00 0.00 N ATOM 460 CA GLU A 32 -4.414 -8.640 -4.954 1.00 0.00 C ATOM 461 C GLU A 32 -3.437 -8.399 -6.101 1.00 0.00 C ATOM 462 O GLU A 32 -2.340 -8.956 -6.123 1.00 0.00 O ATOM 463 CB GLU A 32 -5.474 -9.659 -5.378 1.00 0.00 C ATOM 464 CG GLU A 32 -5.072 -11.101 -5.114 1.00 0.00 C ATOM 465 CD GLU A 32 -4.319 -11.719 -6.276 1.00 0.00 C ATOM 466 OE1 GLU A 32 -4.852 -11.702 -7.405 1.00 0.00 O ATOM 467 OE2 GLU A 32 -3.196 -12.219 -6.055 1.00 0.00 O ATOM 0 H GLU A 32 -6.043 -7.473 -4.334 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.859 -9.036 -4.104 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.403 -9.447 -4.848 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.679 -9.537 -6.442 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.450 -11.143 -4.220 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.965 -11.692 -4.909 1.00 0.00 H new ATOM 474 N GLY A 33 -3.844 -7.565 -7.053 1.00 0.00 N ATOM 475 CA GLY A 33 -2.994 -7.265 -8.190 1.00 0.00 C ATOM 476 C GLY A 33 -1.639 -6.728 -7.775 1.00 0.00 C ATOM 477 O GLY A 33 -0.608 -7.138 -8.311 1.00 0.00 O ATOM 0 H GLY A 33 -4.748 -7.092 -7.057 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.857 -8.168 -8.785 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.491 -6.535 -8.828 1.00 0.00 H new ATOM 481 N LEU A 34 -1.637 -5.805 -6.819 1.00 0.00 N ATOM 482 CA LEU A 34 -0.398 -5.209 -6.333 1.00 0.00 C ATOM 483 C LEU A 34 0.442 -6.235 -5.580 1.00 0.00 C ATOM 484 O LEU A 34 1.663 -6.282 -5.728 1.00 0.00 O ATOM 485 CB LEU A 34 -0.705 -4.018 -5.423 1.00 0.00 C ATOM 486 CG LEU A 34 -1.132 -2.729 -6.126 1.00 0.00 C ATOM 487 CD1 LEU A 34 -1.566 -1.685 -5.109 1.00 0.00 C ATOM 488 CD2 LEU A 34 0.000 -2.194 -6.992 1.00 0.00 C ATOM 0 H LEU A 34 -2.480 -5.453 -6.365 1.00 0.00 H new ATOM 0 HA LEU A 34 0.172 -4.863 -7.195 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.495 -4.309 -4.731 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.181 -3.806 -4.825 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.982 -2.954 -6.771 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.866 -0.775 -5.628 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.407 -2.068 -4.531 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.736 -1.463 -4.438 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.321 -1.276 -7.485 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.869 -1.985 -6.367 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.264 -2.937 -7.745 1.00 0.00 H new ATOM 500 N SER A 35 -0.221 -7.058 -4.774 1.00 0.00 N ATOM 501 CA SER A 35 0.464 -8.084 -3.996 1.00 0.00 C ATOM 502 C SER A 35 1.639 -8.664 -4.778 1.00 0.00 C ATOM 503 O SER A 35 2.708 -8.916 -4.221 1.00 0.00 O ATOM 504 CB SER A 35 -0.509 -9.201 -3.614 1.00 0.00 C ATOM 505 OG SER A 35 0.160 -10.253 -2.941 1.00 0.00 O ATOM 0 H SER A 35 -1.232 -7.034 -4.643 1.00 0.00 H new ATOM 0 HA SER A 35 0.847 -7.620 -3.087 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.296 -8.799 -2.976 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.993 -9.588 -4.511 1.00 0.00 H new ATOM 0 HG SER A 35 0.640 -9.893 -2.167 1.00 0.00 H new ATOM 511 N LYS A 36 1.434 -8.872 -6.074 1.00 0.00 N ATOM 512 CA LYS A 36 2.474 -9.421 -6.936 1.00 0.00 C ATOM 513 C LYS A 36 3.658 -8.464 -7.037 1.00 0.00 C ATOM 514 O LYS A 36 4.746 -8.756 -6.541 1.00 0.00 O ATOM 515 CB LYS A 36 1.913 -9.704 -8.331 1.00 0.00 C ATOM 516 CG LYS A 36 2.969 -10.129 -9.337 1.00 0.00 C ATOM 517 CD LYS A 36 2.344 -10.765 -10.567 1.00 0.00 C ATOM 518 CE LYS A 36 1.949 -9.717 -11.597 1.00 0.00 C ATOM 519 NZ LYS A 36 1.256 -10.324 -12.767 1.00 0.00 N ATOM 0 H LYS A 36 0.556 -8.668 -6.551 1.00 0.00 H new ATOM 0 HA LYS A 36 2.821 -10.355 -6.495 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.157 -10.486 -8.258 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.411 -8.810 -8.700 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.559 -9.262 -9.635 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.655 -10.836 -8.869 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.049 -11.467 -11.013 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.465 -11.339 -10.274 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.297 -8.978 -11.132 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.839 -9.188 -11.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.003 -9.578 -13.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.887 -11.011 -13.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.393 -10.808 -12.447 1.00 0.00 H new ATOM 533 N GLN A 37 3.437 -7.322 -7.679 1.00 0.00 N ATOM 534 CA GLN A 37 4.486 -6.323 -7.843 1.00 0.00 C ATOM 535 C GLN A 37 5.128 -5.983 -6.502 1.00 0.00 C ATOM 536 O GLN A 37 6.348 -6.061 -6.348 1.00 0.00 O ATOM 537 CB GLN A 37 3.918 -5.056 -8.485 1.00 0.00 C ATOM 538 CG GLN A 37 3.380 -5.275 -9.890 1.00 0.00 C ATOM 539 CD GLN A 37 4.438 -5.081 -10.957 1.00 0.00 C ATOM 540 OE1 GLN A 37 4.557 -3.857 -11.458 1.00 0.00 O flip ATOM 541 NE2 GLN A 37 5.143 -6.021 -11.328 1.00 0.00 N flip ATOM 0 H GLN A 37 2.541 -7.065 -8.094 1.00 0.00 H new ATOM 0 HA GLN A 37 5.251 -6.741 -8.497 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.118 -4.667 -7.855 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.697 -4.295 -8.518 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.973 -6.283 -9.966 1.00 0.00 H new ATOM 0 HG3 GLN A 37 2.556 -4.585 -10.071 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.018 -6.946 -10.916 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.852 -5.874 -12.047 1.00 0.00 H new ATOM 550 N LEU A 38 4.301 -5.605 -5.534 1.00 0.00 N ATOM 551 CA LEU A 38 4.788 -5.253 -4.205 1.00 0.00 C ATOM 552 C LEU A 38 5.371 -6.472 -3.498 1.00 0.00 C ATOM 553 O LEU A 38 6.262 -6.348 -2.658 1.00 0.00 O ATOM 554 CB LEU A 38 3.656 -4.656 -3.367 1.00 0.00 C ATOM 555 CG LEU A 38 2.750 -3.653 -4.080 1.00 0.00 C ATOM 556 CD1 LEU A 38 1.729 -3.074 -3.113 1.00 0.00 C ATOM 557 CD2 LEU A 38 3.577 -2.543 -4.713 1.00 0.00 C ATOM 0 H LEU A 38 3.289 -5.534 -5.644 1.00 0.00 H new ATOM 0 HA LEU A 38 5.578 -4.510 -4.319 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.038 -5.472 -2.994 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.094 -4.165 -2.498 1.00 0.00 H new ATOM 0 HG LEU A 38 2.214 -4.176 -4.872 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.093 -2.362 -3.639 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.115 -3.878 -2.707 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.246 -2.566 -2.299 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.915 -1.838 -5.216 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.140 -2.022 -3.939 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.268 -2.973 -5.438 1.00 0.00 H new ATOM 569 N ASP A 39 4.865 -7.650 -3.846 1.00 0.00 N ATOM 570 CA ASP A 39 5.338 -8.893 -3.247 1.00 0.00 C ATOM 571 C ASP A 39 4.978 -8.954 -1.766 1.00 0.00 C ATOM 572 O ASP A 39 5.677 -9.585 -0.973 1.00 0.00 O ATOM 573 CB ASP A 39 6.851 -9.025 -3.422 1.00 0.00 C ATOM 574 CG ASP A 39 7.288 -8.812 -4.858 1.00 0.00 C ATOM 575 OD1 ASP A 39 7.141 -9.751 -5.669 1.00 0.00 O ATOM 576 OD2 ASP A 39 7.777 -7.707 -5.172 1.00 0.00 O ATOM 0 H ASP A 39 4.127 -7.770 -4.540 1.00 0.00 H new ATOM 0 HA ASP A 39 4.847 -9.722 -3.756 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.353 -8.300 -2.781 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.167 -10.015 -3.092 1.00 0.00 H new ATOM 581 N TRP A 40 3.885 -8.294 -1.401 1.00 0.00 N ATOM 582 CA TRP A 40 3.433 -8.272 -0.014 1.00 0.00 C ATOM 583 C TRP A 40 2.094 -8.988 0.133 1.00 0.00 C ATOM 584 O TRP A 40 1.564 -9.537 -0.832 1.00 0.00 O ATOM 585 CB TRP A 40 3.312 -6.831 0.482 1.00 0.00 C ATOM 586 CG TRP A 40 4.513 -5.992 0.168 1.00 0.00 C ATOM 587 CD1 TRP A 40 5.777 -6.437 -0.095 1.00 0.00 C ATOM 588 CD2 TRP A 40 4.563 -4.563 0.086 1.00 0.00 C ATOM 589 NE1 TRP A 40 6.610 -5.371 -0.336 1.00 0.00 N ATOM 590 CE2 TRP A 40 5.890 -4.210 -0.232 1.00 0.00 C ATOM 591 CE3 TRP A 40 3.617 -3.548 0.248 1.00 0.00 C ATOM 592 CZ2 TRP A 40 6.290 -2.886 -0.388 1.00 0.00 C ATOM 593 CZ3 TRP A 40 4.016 -2.234 0.092 1.00 0.00 C ATOM 594 CH2 TRP A 40 5.343 -1.913 -0.224 1.00 0.00 C ATOM 0 H TRP A 40 3.295 -7.767 -2.045 1.00 0.00 H new ATOM 0 HA TRP A 40 4.173 -8.796 0.592 1.00 0.00 H new ATOM 0 HB2 TRP A 40 2.430 -6.373 0.034 1.00 0.00 H new ATOM 0 HB3 TRP A 40 3.154 -6.838 1.561 1.00 0.00 H new ATOM 0 HD1 TRP A 40 6.078 -7.474 -0.111 1.00 0.00 H new ATOM 0 HE1 TRP A 40 7.604 -5.434 -0.557 1.00 0.00 H new ATOM 0 HE3 TRP A 40 2.592 -3.786 0.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 7.312 -2.636 -0.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 3.293 -1.441 0.216 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.623 -0.877 -0.340 1.00 0.00 H new ATOM 605 N ASP A 41 1.553 -8.976 1.346 1.00 0.00 N ATOM 606 CA ASP A 41 0.274 -9.623 1.619 1.00 0.00 C ATOM 607 C ASP A 41 -0.885 -8.665 1.363 1.00 0.00 C ATOM 608 O ASP A 41 -0.787 -7.469 1.635 1.00 0.00 O ATOM 609 CB ASP A 41 0.229 -10.123 3.064 1.00 0.00 C ATOM 610 CG ASP A 41 1.067 -11.369 3.272 1.00 0.00 C ATOM 611 OD1 ASP A 41 0.628 -12.457 2.843 1.00 0.00 O ATOM 612 OD2 ASP A 41 2.161 -11.257 3.863 1.00 0.00 O ATOM 0 H ASP A 41 1.979 -8.526 2.156 1.00 0.00 H new ATOM 0 HA ASP A 41 0.174 -10.474 0.945 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.583 -9.335 3.729 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.804 -10.333 3.341 1.00 0.00 H new ATOM 617 N VAL A 42 -1.982 -9.200 0.836 1.00 0.00 N ATOM 618 CA VAL A 42 -3.161 -8.393 0.542 1.00 0.00 C ATOM 619 C VAL A 42 -3.396 -7.349 1.628 1.00 0.00 C ATOM 620 O VAL A 42 -3.946 -6.279 1.366 1.00 0.00 O ATOM 621 CB VAL A 42 -4.420 -9.269 0.405 1.00 0.00 C ATOM 622 CG1 VAL A 42 -5.627 -8.416 0.045 1.00 0.00 C ATOM 623 CG2 VAL A 42 -4.200 -10.360 -0.631 1.00 0.00 C ATOM 0 H VAL A 42 -2.079 -10.188 0.604 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.973 -7.890 -0.407 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.616 -9.746 1.365 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.507 -9.052 -0.048 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.795 -7.675 0.827 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.445 -7.909 -0.902 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.100 -10.969 -0.714 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.979 -9.905 -1.597 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.363 -10.988 -0.326 1.00 0.00 H new ATOM 633 N ARG A 43 -2.977 -7.668 2.848 1.00 0.00 N ATOM 634 CA ARG A 43 -3.144 -6.758 3.975 1.00 0.00 C ATOM 635 C ARG A 43 -1.994 -5.756 4.039 1.00 0.00 C ATOM 636 O ARG A 43 -2.212 -4.556 4.210 1.00 0.00 O ATOM 637 CB ARG A 43 -3.223 -7.543 5.285 1.00 0.00 C ATOM 638 CG ARG A 43 -4.541 -8.276 5.477 1.00 0.00 C ATOM 639 CD ARG A 43 -4.556 -9.063 6.779 1.00 0.00 C ATOM 640 NE ARG A 43 -5.456 -10.211 6.714 1.00 0.00 N ATOM 641 CZ ARG A 43 -5.560 -11.119 7.677 1.00 0.00 C ATOM 642 NH1 ARG A 43 -4.823 -11.013 8.775 1.00 0.00 N ATOM 643 NH2 ARG A 43 -6.402 -12.136 7.545 1.00 0.00 N ATOM 0 H ARG A 43 -2.520 -8.549 3.081 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.075 -6.209 3.832 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.407 -8.265 5.316 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.073 -6.858 6.119 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.361 -7.558 5.475 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.708 -8.953 4.639 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.547 -9.406 7.007 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.862 -8.408 7.595 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.037 -10.321 5.883 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.175 -10.233 8.881 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.905 -11.712 9.513 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.971 -12.221 6.703 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.480 -12.833 8.286 1.00 0.00 H new ATOM 657 N SER A 44 -0.771 -6.257 3.901 1.00 0.00 N ATOM 658 CA SER A 44 0.413 -5.407 3.947 1.00 0.00 C ATOM 659 C SER A 44 0.285 -4.244 2.968 1.00 0.00 C ATOM 660 O SER A 44 0.864 -3.177 3.176 1.00 0.00 O ATOM 661 CB SER A 44 1.666 -6.224 3.626 1.00 0.00 C ATOM 662 OG SER A 44 1.961 -7.138 4.668 1.00 0.00 O ATOM 0 H SER A 44 -0.574 -7.247 3.756 1.00 0.00 H new ATOM 0 HA SER A 44 0.501 -5.002 4.955 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.520 -6.767 2.692 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.512 -5.554 3.476 1.00 0.00 H new ATOM 0 HG SER A 44 2.765 -7.649 4.437 1.00 0.00 H new ATOM 668 N ILE A 45 -0.476 -4.459 1.900 1.00 0.00 N ATOM 669 CA ILE A 45 -0.681 -3.429 0.890 1.00 0.00 C ATOM 670 C ILE A 45 -1.505 -2.272 1.443 1.00 0.00 C ATOM 671 O ILE A 45 -1.031 -1.138 1.515 1.00 0.00 O ATOM 672 CB ILE A 45 -1.384 -3.996 -0.357 1.00 0.00 C ATOM 673 CG1 ILE A 45 -0.625 -5.213 -0.889 1.00 0.00 C ATOM 674 CG2 ILE A 45 -1.500 -2.926 -1.433 1.00 0.00 C ATOM 675 CD1 ILE A 45 -1.216 -5.788 -2.157 1.00 0.00 C ATOM 0 H ILE A 45 -0.960 -5.337 1.712 1.00 0.00 H new ATOM 0 HA ILE A 45 0.306 -3.065 0.606 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.389 -4.312 -0.076 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.411 -4.931 -1.076 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.611 -5.986 -0.121 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.999 -3.342 -2.308 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.080 -2.086 -1.050 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.504 -2.582 -1.713 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.627 -6.648 -2.476 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.243 -6.101 -1.970 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.205 -5.030 -2.940 1.00 0.00 H new ATOM 687 N GLN A 46 -2.741 -2.567 1.833 1.00 0.00 N ATOM 688 CA GLN A 46 -3.632 -1.551 2.381 1.00 0.00 C ATOM 689 C GLN A 46 -2.865 -0.579 3.273 1.00 0.00 C ATOM 690 O GLN A 46 -3.049 0.635 3.185 1.00 0.00 O ATOM 691 CB GLN A 46 -4.762 -2.208 3.176 1.00 0.00 C ATOM 692 CG GLN A 46 -5.783 -2.922 2.305 1.00 0.00 C ATOM 693 CD GLN A 46 -6.900 -3.552 3.113 1.00 0.00 C ATOM 694 OE1 GLN A 46 -7.809 -2.864 3.578 1.00 0.00 O ATOM 695 NE2 GLN A 46 -6.838 -4.867 3.284 1.00 0.00 N ATOM 0 H GLN A 46 -3.148 -3.501 1.780 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.060 -0.992 1.549 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.333 -2.922 3.879 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -5.270 -1.446 3.767 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.209 -2.213 1.595 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -5.281 -3.694 1.722 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -6.066 -5.398 2.881 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -7.562 -5.346 3.819 1.00 0.00 H new ATOM 704 N ARG A 47 -2.007 -1.121 4.130 1.00 0.00 N ATOM 705 CA ARG A 47 -1.214 -0.302 5.039 1.00 0.00 C ATOM 706 C ARG A 47 -0.681 0.938 4.328 1.00 0.00 C ATOM 707 O ARG A 47 -0.738 2.045 4.864 1.00 0.00 O ATOM 708 CB ARG A 47 -0.051 -1.116 5.609 1.00 0.00 C ATOM 709 CG ARG A 47 -0.486 -2.215 6.564 1.00 0.00 C ATOM 710 CD ARG A 47 0.695 -2.788 7.330 1.00 0.00 C ATOM 711 NE ARG A 47 1.294 -1.804 8.228 1.00 0.00 N ATOM 712 CZ ARG A 47 2.275 -2.086 9.078 1.00 0.00 C ATOM 713 NH1 ARG A 47 2.766 -3.316 9.145 1.00 0.00 N ATOM 714 NH2 ARG A 47 2.768 -1.136 9.863 1.00 0.00 N ATOM 0 H ARG A 47 -1.843 -2.124 4.214 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.859 0.019 5.857 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.507 -1.562 4.786 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.631 -0.444 6.129 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.219 -1.819 7.267 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.979 -3.010 6.005 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.368 -3.653 7.907 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.448 -3.141 6.625 1.00 0.00 H new ATOM 0 HE ARG A 47 0.940 -0.848 8.201 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.390 -4.049 8.543 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.519 -3.530 9.799 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.394 -0.189 9.814 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.521 -1.353 10.515 1.00 0.00 H new ATOM 728 N TRP A 48 -0.165 0.745 3.120 1.00 0.00 N ATOM 729 CA TRP A 48 0.379 1.848 2.336 1.00 0.00 C ATOM 730 C TRP A 48 -0.722 2.822 1.931 1.00 0.00 C ATOM 731 O TRP A 48 -0.594 4.032 2.120 1.00 0.00 O ATOM 732 CB TRP A 48 1.089 1.315 1.090 1.00 0.00 C ATOM 733 CG TRP A 48 1.873 2.362 0.360 1.00 0.00 C ATOM 734 CD1 TRP A 48 3.205 2.630 0.494 1.00 0.00 C ATOM 735 CD2 TRP A 48 1.373 3.281 -0.618 1.00 0.00 C ATOM 736 NE1 TRP A 48 3.564 3.661 -0.341 1.00 0.00 N ATOM 737 CE2 TRP A 48 2.458 4.077 -1.034 1.00 0.00 C ATOM 738 CE3 TRP A 48 0.116 3.508 -1.183 1.00 0.00 C ATOM 739 CZ2 TRP A 48 2.320 5.082 -1.988 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -0.019 4.505 -2.129 1.00 0.00 C ATOM 741 CH2 TRP A 48 1.078 5.282 -2.525 1.00 0.00 C ATOM 0 H TRP A 48 -0.112 -0.165 2.662 1.00 0.00 H new ATOM 0 HA TRP A 48 1.100 2.380 2.956 1.00 0.00 H new ATOM 0 HB2 TRP A 48 1.759 0.506 1.381 1.00 0.00 H new ATOM 0 HB3 TRP A 48 0.349 0.888 0.413 1.00 0.00 H new ATOM 0 HD1 TRP A 48 3.878 2.108 1.159 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.502 4.053 -0.430 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.736 2.914 -0.885 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 3.164 5.683 -2.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -0.987 4.689 -2.571 1.00 0.00 H new ATOM 0 HH2 TRP A 48 0.940 6.053 -3.268 1.00 0.00 H new ATOM 752 N PHE A 49 -1.803 2.288 1.374 1.00 0.00 N ATOM 753 CA PHE A 49 -2.927 3.111 0.942 1.00 0.00 C ATOM 754 C PHE A 49 -3.475 3.936 2.103 1.00 0.00 C ATOM 755 O PHE A 49 -3.542 5.163 2.030 1.00 0.00 O ATOM 756 CB PHE A 49 -4.035 2.233 0.357 1.00 0.00 C ATOM 757 CG PHE A 49 -3.849 1.926 -1.102 1.00 0.00 C ATOM 758 CD1 PHE A 49 -4.012 2.915 -2.058 1.00 0.00 C ATOM 759 CD2 PHE A 49 -3.510 0.648 -1.516 1.00 0.00 C ATOM 760 CE1 PHE A 49 -3.842 2.634 -3.401 1.00 0.00 C ATOM 761 CE2 PHE A 49 -3.338 0.361 -2.858 1.00 0.00 C ATOM 762 CZ PHE A 49 -3.504 1.357 -3.801 1.00 0.00 C ATOM 0 H PHE A 49 -1.925 1.289 1.211 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.570 3.794 0.171 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -4.079 1.297 0.914 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.994 2.732 0.496 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.275 3.917 -1.751 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.378 -0.133 -0.782 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.974 3.413 -4.137 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.075 -0.639 -3.168 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.369 1.137 -4.850 1.00 0.00 H new ATOM 772 N ARG A 50 -3.867 3.252 3.173 1.00 0.00 N ATOM 773 CA ARG A 50 -4.411 3.920 4.349 1.00 0.00 C ATOM 774 C ARG A 50 -3.373 4.844 4.979 1.00 0.00 C ATOM 775 O ARG A 50 -3.717 5.763 5.722 1.00 0.00 O ATOM 776 CB ARG A 50 -4.881 2.888 5.376 1.00 0.00 C ATOM 777 CG ARG A 50 -3.763 2.005 5.906 1.00 0.00 C ATOM 778 CD ARG A 50 -4.079 1.483 7.299 1.00 0.00 C ATOM 779 NE ARG A 50 -5.067 0.408 7.270 1.00 0.00 N ATOM 780 CZ ARG A 50 -5.507 -0.216 8.357 1.00 0.00 C ATOM 781 NH1 ARG A 50 -5.048 0.126 9.553 1.00 0.00 N ATOM 782 NH2 ARG A 50 -6.407 -1.185 8.250 1.00 0.00 N ATOM 0 H ARG A 50 -3.818 2.236 3.250 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.263 4.522 4.032 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.350 3.407 6.212 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.646 2.258 4.922 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.608 1.166 5.228 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.832 2.571 5.931 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.163 1.121 7.767 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -4.451 2.300 7.917 1.00 0.00 H new ATOM 0 HE ARG A 50 -5.440 0.120 6.365 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.355 0.870 9.640 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.387 -0.355 10.386 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -6.762 -1.452 7.332 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.744 -1.663 9.086 1.00 0.00 H new ATOM 796 N GLN A 51 -2.104 4.593 4.676 1.00 0.00 N ATOM 797 CA GLN A 51 -1.016 5.402 5.214 1.00 0.00 C ATOM 798 C GLN A 51 -0.837 6.681 4.402 1.00 0.00 C ATOM 799 O GLN A 51 -0.484 7.728 4.945 1.00 0.00 O ATOM 800 CB GLN A 51 0.287 4.602 5.222 1.00 0.00 C ATOM 801 CG GLN A 51 0.478 3.764 6.476 1.00 0.00 C ATOM 802 CD GLN A 51 1.142 4.537 7.599 1.00 0.00 C ATOM 803 OE1 GLN A 51 0.843 5.711 7.821 1.00 0.00 O ATOM 804 NE2 GLN A 51 2.049 3.882 8.313 1.00 0.00 N ATOM 0 H GLN A 51 -1.803 3.837 4.061 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.272 5.676 6.238 1.00 0.00 H new ATOM 0 HB2 GLN A 51 0.307 3.947 4.351 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.127 5.290 5.123 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.491 3.398 6.815 1.00 0.00 H new ATOM 0 HG3 GLN A 51 1.082 2.889 6.235 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.266 2.910 8.094 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.530 4.351 9.081 1.00 0.00 H new ATOM 813 N ARG A 52 -1.081 6.588 3.099 1.00 0.00 N ATOM 814 CA ARG A 52 -0.944 7.737 2.212 1.00 0.00 C ATOM 815 C ARG A 52 -2.119 8.697 2.381 1.00 0.00 C ATOM 816 O ARG A 52 -1.932 9.908 2.493 1.00 0.00 O ATOM 817 CB ARG A 52 -0.853 7.277 0.756 1.00 0.00 C ATOM 818 CG ARG A 52 -0.177 8.284 -0.160 1.00 0.00 C ATOM 819 CD ARG A 52 1.330 8.086 -0.190 1.00 0.00 C ATOM 820 NE ARG A 52 2.014 9.190 -0.856 1.00 0.00 N ATOM 821 CZ ARG A 52 3.336 9.302 -0.925 1.00 0.00 C ATOM 822 NH1 ARG A 52 4.112 8.381 -0.370 1.00 0.00 N ATOM 823 NH2 ARG A 52 3.884 10.336 -1.549 1.00 0.00 N ATOM 0 H ARG A 52 -1.375 5.729 2.634 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.026 8.262 2.478 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.305 6.336 0.715 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.858 7.077 0.384 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.578 8.186 -1.169 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.406 9.295 0.177 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.703 7.991 0.830 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.563 7.153 -0.703 1.00 0.00 H new ATOM 0 HE ARG A 52 1.446 9.916 -1.293 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.694 7.585 0.111 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.127 8.469 -0.424 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.290 11.047 -1.977 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.899 10.421 -1.601 1.00 0.00 H new ATOM 837 N ARG A 53 -3.328 8.146 2.397 1.00 0.00 N ATOM 838 CA ARG A 53 -4.533 8.953 2.550 1.00 0.00 C ATOM 839 C ARG A 53 -4.537 9.674 3.895 1.00 0.00 C ATOM 840 O ARG A 53 -5.210 10.690 4.064 1.00 0.00 O ATOM 841 CB ARG A 53 -5.780 8.076 2.425 1.00 0.00 C ATOM 842 CG ARG A 53 -6.297 7.951 1.001 1.00 0.00 C ATOM 843 CD ARG A 53 -7.297 9.049 0.674 1.00 0.00 C ATOM 844 NE ARG A 53 -6.652 10.349 0.516 1.00 0.00 N ATOM 845 CZ ARG A 53 -7.298 11.506 0.606 1.00 0.00 C ATOM 846 NH1 ARG A 53 -8.601 11.524 0.853 1.00 0.00 N ATOM 847 NH2 ARG A 53 -6.641 12.648 0.450 1.00 0.00 N ATOM 0 H ARG A 53 -3.499 7.145 2.306 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.543 9.700 1.757 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.554 7.081 2.809 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.569 8.489 3.054 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.461 7.999 0.303 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.768 6.977 0.868 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.828 8.794 -0.243 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.042 9.108 1.467 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.650 10.370 0.326 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.109 10.648 0.974 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -9.095 12.414 0.922 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.639 12.638 0.261 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.138 13.536 0.519 1.00 0.00 H new ATOM 861 N ASN A 54 -3.783 9.138 4.850 1.00 0.00 N ATOM 862 CA ASN A 54 -3.701 9.729 6.181 1.00 0.00 C ATOM 863 C ASN A 54 -2.835 10.985 6.166 1.00 0.00 C ATOM 864 O ASN A 54 -3.269 12.055 6.592 1.00 0.00 O ATOM 865 CB ASN A 54 -3.134 8.716 7.177 1.00 0.00 C ATOM 866 CG ASN A 54 -2.908 9.320 8.550 1.00 0.00 C ATOM 867 OD1 ASN A 54 -3.665 10.183 8.993 1.00 0.00 O ATOM 868 ND2 ASN A 54 -1.861 8.867 9.230 1.00 0.00 N ATOM 0 H ASN A 54 -3.221 8.296 4.727 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.708 10.008 6.491 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -3.819 7.872 7.262 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.191 8.324 6.796 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.658 9.236 10.159 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.260 8.150 8.823 1.00 0.00 H new ATOM 875 N GLN A 55 -1.608 10.845 5.673 1.00 0.00 N ATOM 876 CA GLN A 55 -0.681 11.969 5.603 1.00 0.00 C ATOM 877 C GLN A 55 -1.111 12.963 4.529 1.00 0.00 C ATOM 878 O GLN A 55 -1.138 14.170 4.763 1.00 0.00 O ATOM 879 CB GLN A 55 0.736 11.470 5.316 1.00 0.00 C ATOM 880 CG GLN A 55 0.841 10.626 4.056 1.00 0.00 C ATOM 881 CD GLN A 55 1.140 11.454 2.822 1.00 0.00 C ATOM 882 OE1 GLN A 55 1.335 12.667 2.906 1.00 0.00 O ATOM 883 NE2 GLN A 55 1.178 10.802 1.666 1.00 0.00 N ATOM 0 H GLN A 55 -1.233 9.966 5.317 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.691 12.478 6.567 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.403 12.328 5.225 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.085 10.884 6.166 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.625 9.880 4.187 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.093 10.084 3.908 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.010 9.796 1.642 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.375 11.307 0.802 1.00 0.00 H new ATOM 892 N GLU A 56 -1.445 12.446 3.350 1.00 0.00 N ATOM 893 CA GLU A 56 -1.872 13.290 2.240 1.00 0.00 C ATOM 894 C GLU A 56 -2.675 14.486 2.743 1.00 0.00 C ATOM 895 O GLU A 56 -3.827 14.346 3.155 1.00 0.00 O ATOM 896 CB GLU A 56 -2.709 12.480 1.248 1.00 0.00 C ATOM 897 CG GLU A 56 -1.881 11.766 0.193 1.00 0.00 C ATOM 898 CD GLU A 56 -1.055 12.721 -0.646 1.00 0.00 C ATOM 899 OE1 GLU A 56 -1.631 13.372 -1.543 1.00 0.00 O ATOM 900 OE2 GLU A 56 0.167 12.818 -0.406 1.00 0.00 O ATOM 0 H GLU A 56 -1.428 11.448 3.139 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.980 13.661 1.735 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.296 11.743 1.797 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.416 13.146 0.753 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.219 11.050 0.680 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.543 11.196 -0.458 1.00 0.00 H new ATOM 907 N LYS A 57 -2.058 15.662 2.708 1.00 0.00 N ATOM 908 CA LYS A 57 -2.713 16.884 3.159 1.00 0.00 C ATOM 909 C LYS A 57 -2.973 17.826 1.988 1.00 0.00 C ATOM 910 O LYS A 57 -2.246 17.836 0.995 1.00 0.00 O ATOM 911 CB LYS A 57 -1.856 17.588 4.213 1.00 0.00 C ATOM 912 CG LYS A 57 -0.557 18.151 3.663 1.00 0.00 C ATOM 913 CD LYS A 57 0.112 19.084 4.659 1.00 0.00 C ATOM 914 CE LYS A 57 -0.401 20.509 4.519 1.00 0.00 C ATOM 915 NZ LYS A 57 0.240 21.220 3.379 1.00 0.00 N ATOM 0 H LYS A 57 -1.104 15.795 2.372 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.671 16.611 3.602 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.434 18.398 4.657 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.627 16.884 5.013 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.120 17.333 3.418 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.756 18.689 2.736 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.072 18.728 5.673 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.191 19.068 4.506 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.481 20.494 4.376 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.210 21.056 5.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.214 22.245 3.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.228 20.909 3.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.274 21.002 2.501 1.00 0.00 H new ATOM 929 N PRO A 58 -4.034 18.639 2.105 1.00 0.00 N ATOM 930 CA PRO A 58 -4.412 19.602 1.066 1.00 0.00 C ATOM 931 C PRO A 58 -3.419 20.753 0.953 1.00 0.00 C ATOM 932 O PRO A 58 -3.500 21.730 1.697 1.00 0.00 O ATOM 933 CB PRO A 58 -5.775 20.115 1.538 1.00 0.00 C ATOM 934 CG PRO A 58 -5.763 19.919 3.014 1.00 0.00 C ATOM 935 CD PRO A 58 -4.945 18.682 3.261 1.00 0.00 C ATOM 0 HA PRO A 58 -4.432 19.147 0.076 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -5.914 21.165 1.279 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.590 19.561 1.072 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -5.328 20.782 3.519 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -6.775 19.801 3.400 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -4.398 18.743 4.202 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -5.570 17.791 3.313 1.00 0.00 H new ATOM 943 N SER A 59 -2.482 20.631 0.018 1.00 0.00 N ATOM 944 CA SER A 59 -1.471 21.660 -0.190 1.00 0.00 C ATOM 945 C SER A 59 -1.709 22.399 -1.504 1.00 0.00 C ATOM 946 O SER A 59 -2.583 22.029 -2.287 1.00 0.00 O ATOM 947 CB SER A 59 -0.073 21.040 -0.187 1.00 0.00 C ATOM 948 OG SER A 59 0.902 21.980 0.229 1.00 0.00 O ATOM 0 H SER A 59 -2.402 19.829 -0.607 1.00 0.00 H new ATOM 0 HA SER A 59 -1.545 22.376 0.628 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.057 20.176 0.478 1.00 0.00 H new ATOM 0 HB3 SER A 59 0.170 20.678 -1.186 1.00 0.00 H new ATOM 0 HG SER A 59 1.786 21.558 0.224 1.00 0.00 H new ATOM 954 N GLY A 60 -0.924 23.446 -1.738 1.00 0.00 N ATOM 955 CA GLY A 60 -1.064 24.220 -2.958 1.00 0.00 C ATOM 956 C GLY A 60 0.230 24.307 -3.742 1.00 0.00 C ATOM 957 O GLY A 60 1.323 24.336 -3.176 1.00 0.00 O ATOM 0 H GLY A 60 -0.194 23.772 -1.105 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.835 23.770 -3.584 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -1.403 25.226 -2.709 1.00 0.00 H new ATOM 961 N PRO A 61 0.116 24.348 -5.077 1.00 0.00 N ATOM 962 CA PRO A 61 1.276 24.432 -5.969 1.00 0.00 C ATOM 963 C PRO A 61 1.973 25.786 -5.889 1.00 0.00 C ATOM 964 O PRO A 61 1.421 26.804 -6.306 1.00 0.00 O ATOM 965 CB PRO A 61 0.671 24.223 -7.360 1.00 0.00 C ATOM 966 CG PRO A 61 -0.747 24.662 -7.225 1.00 0.00 C ATOM 967 CD PRO A 61 -1.156 24.318 -5.820 1.00 0.00 C ATOM 0 HA PRO A 61 2.043 23.702 -5.709 1.00 0.00 H new ATOM 0 HB2 PRO A 61 1.197 24.810 -8.113 1.00 0.00 H new ATOM 0 HB3 PRO A 61 0.735 23.179 -7.667 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -0.843 25.732 -7.408 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.383 24.156 -7.951 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.871 25.038 -5.422 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.629 23.337 -5.768 1.00 0.00 H new ATOM 975 N SER A 62 3.188 25.790 -5.350 1.00 0.00 N ATOM 976 CA SER A 62 3.959 27.020 -5.213 1.00 0.00 C ATOM 977 C SER A 62 5.100 27.062 -6.224 1.00 0.00 C ATOM 978 O SER A 62 5.232 28.017 -6.989 1.00 0.00 O ATOM 979 CB SER A 62 4.515 27.142 -3.793 1.00 0.00 C ATOM 980 OG SER A 62 5.350 26.041 -3.476 1.00 0.00 O ATOM 0 H SER A 62 3.660 24.955 -5.001 1.00 0.00 H new ATOM 0 HA SER A 62 3.293 27.861 -5.409 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.079 28.070 -3.699 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.692 27.196 -3.080 1.00 0.00 H new ATOM 0 HG SER A 62 5.694 26.143 -2.564 1.00 0.00 H new ATOM 986 N SER A 63 5.924 26.018 -6.221 1.00 0.00 N ATOM 987 CA SER A 63 7.057 25.936 -7.135 1.00 0.00 C ATOM 988 C SER A 63 6.654 25.256 -8.440 1.00 0.00 C ATOM 989 O SER A 63 6.369 24.060 -8.468 1.00 0.00 O ATOM 990 CB SER A 63 8.210 25.170 -6.483 1.00 0.00 C ATOM 991 OG SER A 63 7.925 23.784 -6.410 1.00 0.00 O ATOM 0 H SER A 63 5.828 25.218 -5.596 1.00 0.00 H new ATOM 0 HA SER A 63 7.385 26.951 -7.360 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.124 25.327 -7.055 1.00 0.00 H new ATOM 0 HB3 SER A 63 8.390 25.561 -5.481 1.00 0.00 H new ATOM 0 HG SER A 63 7.090 23.596 -6.887 1.00 0.00 H new ATOM 997 N GLY A 64 6.633 26.030 -9.522 1.00 0.00 N ATOM 998 CA GLY A 64 6.264 25.487 -10.816 1.00 0.00 C ATOM 999 C GLY A 64 7.342 25.697 -11.861 1.00 0.00 C ATOM 1000 O GLY A 64 7.692 24.773 -12.595 1.00 0.00 O ATOM 0 H GLY A 64 6.865 27.023 -9.525 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.063 24.420 -10.715 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.339 25.955 -11.153 1.00 0.00 H new TER 1004 GLY A 64