USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 737 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 5 ASN : amide:sc= -0.556 K(o=-0.56,f=-2.1!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.659 K(o=-0.66,f=-0.046) USER MOD Single : A 16 THR OG1 : rot 69:sc= 1.09 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -2.67 K(o=-2.7,f=-1.3) USER MOD Single : A 19 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.101) USER MOD Single : A 23 ASN : amide:sc= -4.49! C(o=-4.5!,f=-16!) USER MOD Single : A 24 TYR OH : rot -174:sc= -3.42! USER MOD Single : A 26 THR OG1 : rot -140:sc= -0.945 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0.128 USER MOD Single : A 31 GLN : amide:sc= -1.43 K(o=-1.4,f=-2.8!) USER MOD Single : A 41 ASN : amide:sc= -1.55 K(o=-1.5,f=-4.3!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 167:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 15:sc= 0.827 USER MOD Single : A 77 ASN : amide:sc= -0.537 K(o=-0.54,f=-4.1!) USER MOD Single : A 78 TYR OH : rot 150:sc= -0.169 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0801 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -3.68! C(o=-3.7!,f=-2.7!) USER MOD Single : A 85 SER OG : rot 73:sc= 0.842 USER MOD Single : A 90 TYR OH : rot 180:sc= -0.141 USER MOD Single : A 91 SER OG : rot 101:sc= 0.794 USER MOD Single : A 92 SER OG : rot 180:sc= 0.0953 USER MOD Single : A 97 TYR OH : rot 130:sc= -1.55! USER MOD Single : A 98 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.132) USER MOD Single : A 99 THR OG1 : rot 59:sc= -0.419 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.00506 USER MOD Single : A 102 HIS : no HD1:sc= -0.271 X(o=-0.27,f=-0.081) USER MOD Single : A 103 TYR OH : rot 180:sc= -0.022 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot -170:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 4.485 11.595 1.310 1.00 0.00 N ATOM 47 CA ILE A 4 3.163 11.047 1.727 1.00 0.00 C ATOM 48 C ILE A 4 3.253 9.524 1.843 1.00 0.00 C ATOM 49 O ILE A 4 3.391 8.824 0.860 1.00 0.00 O ATOM 50 CB ILE A 4 2.105 11.418 0.685 1.00 0.00 C ATOM 51 CG1 ILE A 4 2.023 12.941 0.563 1.00 0.00 C ATOM 52 CG2 ILE A 4 0.746 10.868 1.118 1.00 0.00 C ATOM 53 CD1 ILE A 4 2.413 13.361 -0.855 1.00 0.00 C ATOM 0 HA ILE A 4 2.885 11.468 2.693 1.00 0.00 H new ATOM 0 HB ILE A 4 2.379 10.989 -0.279 1.00 0.00 H new ATOM 0 HG12 ILE A 4 1.012 13.281 0.789 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.687 13.411 1.288 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.007 11.133 0.376 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.804 9.783 1.206 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.471 11.296 2.082 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.355 14.446 -0.942 1.00 0.00 H new ATOM 0 HD12 ILE A 4 3.432 13.034 -1.064 1.00 0.00 H new ATOM 0 HD13 ILE A 4 1.731 12.902 -1.571 1.00 0.00 H new ATOM 65 N ASN A 5 3.176 9.005 3.038 1.00 0.00 N ATOM 66 CA ASN A 5 3.257 7.528 3.216 1.00 0.00 C ATOM 67 C ASN A 5 2.443 7.116 4.444 1.00 0.00 C ATOM 68 O ASN A 5 2.943 6.472 5.345 1.00 0.00 O ATOM 69 CB ASN A 5 4.718 7.117 3.413 1.00 0.00 C ATOM 70 CG ASN A 5 5.332 7.946 4.543 1.00 0.00 C ATOM 71 OD1 ASN A 5 5.482 9.146 4.419 1.00 0.00 O ATOM 72 ND2 ASN A 5 5.698 7.353 5.646 1.00 0.00 N ATOM 0 H ASN A 5 3.060 9.540 3.899 1.00 0.00 H new ATOM 0 HA ASN A 5 2.856 7.034 2.331 1.00 0.00 H new ATOM 0 HB2 ASN A 5 4.779 6.055 3.652 1.00 0.00 H new ATOM 0 HB3 ASN A 5 5.278 7.269 2.490 1.00 0.00 H new ATOM 0 HD21 ASN A 5 6.110 7.896 6.405 1.00 0.00 H new ATOM 0 HD22 ASN A 5 5.572 6.346 5.750 1.00 0.00 H new ATOM 79 N THR A 6 1.192 7.485 4.489 1.00 0.00 N ATOM 80 CA THR A 6 0.349 7.115 5.660 1.00 0.00 C ATOM 81 C THR A 6 -1.043 6.701 5.179 1.00 0.00 C ATOM 82 O THR A 6 -1.273 6.509 4.002 1.00 0.00 O ATOM 83 CB THR A 6 0.226 8.317 6.598 1.00 0.00 C ATOM 84 OG1 THR A 6 0.110 9.505 5.828 1.00 0.00 O ATOM 85 CG2 THR A 6 1.468 8.402 7.487 1.00 0.00 C ATOM 0 H THR A 6 0.718 8.026 3.766 1.00 0.00 H new ATOM 0 HA THR A 6 0.811 6.283 6.191 1.00 0.00 H new ATOM 0 HB THR A 6 -0.658 8.201 7.224 1.00 0.00 H new ATOM 0 HG1 THR A 6 0.029 10.276 6.427 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.379 9.259 8.155 1.00 0.00 H new ATOM 0 HG22 THR A 6 1.556 7.490 8.077 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.354 8.518 6.863 1.00 0.00 H new ATOM 93 N PHE A 7 -1.975 6.561 6.085 1.00 0.00 N ATOM 94 CA PHE A 7 -3.352 6.158 5.682 1.00 0.00 C ATOM 95 C PHE A 7 -4.107 7.375 5.146 1.00 0.00 C ATOM 96 O PHE A 7 -4.579 7.380 4.028 1.00 0.00 O ATOM 97 CB PHE A 7 -4.092 5.594 6.896 1.00 0.00 C ATOM 98 CG PHE A 7 -3.650 4.171 7.139 1.00 0.00 C ATOM 99 CD1 PHE A 7 -3.891 3.189 6.173 1.00 0.00 C ATOM 100 CD2 PHE A 7 -2.999 3.837 8.333 1.00 0.00 C ATOM 101 CE1 PHE A 7 -3.479 1.869 6.400 1.00 0.00 C ATOM 102 CE2 PHE A 7 -2.589 2.519 8.560 1.00 0.00 C ATOM 103 CZ PHE A 7 -2.829 1.535 7.593 1.00 0.00 C ATOM 0 H PHE A 7 -1.841 6.708 7.085 1.00 0.00 H new ATOM 0 HA PHE A 7 -3.294 5.397 4.904 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -3.888 6.205 7.776 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.168 5.628 6.727 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.394 3.448 5.253 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.814 4.596 9.078 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.663 1.110 5.654 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.087 2.260 9.481 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.512 0.518 7.768 1.00 0.00 H new ATOM 113 N ASP A 8 -4.230 8.407 5.936 1.00 0.00 N ATOM 114 CA ASP A 8 -4.958 9.623 5.470 1.00 0.00 C ATOM 115 C ASP A 8 -4.133 10.343 4.401 1.00 0.00 C ATOM 116 O ASP A 8 -4.668 10.954 3.496 1.00 0.00 O ATOM 117 CB ASP A 8 -5.187 10.563 6.655 1.00 0.00 C ATOM 118 CG ASP A 8 -6.671 10.565 7.026 1.00 0.00 C ATOM 119 OD1 ASP A 8 -7.471 10.167 6.195 1.00 0.00 O ATOM 120 OD2 ASP A 8 -6.984 10.966 8.135 1.00 0.00 O ATOM 0 H ASP A 8 -3.858 8.461 6.884 1.00 0.00 H new ATOM 0 HA ASP A 8 -5.917 9.328 5.045 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.589 10.243 7.508 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.864 11.572 6.400 1.00 0.00 H new ATOM 125 N GLY A 9 -2.833 10.283 4.499 1.00 0.00 N ATOM 126 CA GLY A 9 -1.976 10.970 3.492 1.00 0.00 C ATOM 127 C GLY A 9 -2.135 10.294 2.131 1.00 0.00 C ATOM 128 O GLY A 9 -2.367 10.942 1.129 1.00 0.00 O ATOM 0 H GLY A 9 -2.327 9.788 5.233 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.254 12.022 3.421 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.933 10.937 3.805 1.00 0.00 H new ATOM 132 N VAL A 10 -2.011 8.998 2.085 1.00 0.00 N ATOM 133 CA VAL A 10 -2.155 8.287 0.783 1.00 0.00 C ATOM 134 C VAL A 10 -3.598 8.405 0.298 1.00 0.00 C ATOM 135 O VAL A 10 -3.850 8.665 -0.859 1.00 0.00 O ATOM 136 CB VAL A 10 -1.788 6.813 0.959 1.00 0.00 C ATOM 137 CG1 VAL A 10 -1.798 6.119 -0.404 1.00 0.00 C ATOM 138 CG2 VAL A 10 -0.392 6.706 1.574 1.00 0.00 C ATOM 0 H VAL A 10 -1.817 8.401 2.889 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.488 8.736 0.047 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.513 6.334 1.617 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.536 5.068 -0.279 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.792 6.196 -0.844 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.072 6.598 -1.061 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.129 5.656 1.700 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.333 7.185 0.916 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.383 7.201 2.545 1.00 0.00 H new ATOM 148 N ALA A 11 -4.547 8.227 1.173 1.00 0.00 N ATOM 149 CA ALA A 11 -5.970 8.347 0.752 1.00 0.00 C ATOM 150 C ALA A 11 -6.180 9.737 0.155 1.00 0.00 C ATOM 151 O ALA A 11 -6.904 9.914 -0.806 1.00 0.00 O ATOM 152 CB ALA A 11 -6.882 8.165 1.967 1.00 0.00 C ATOM 0 H ALA A 11 -4.400 8.005 2.158 1.00 0.00 H new ATOM 0 HA ALA A 11 -6.209 7.582 0.013 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.923 8.253 1.657 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.715 7.180 2.403 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.658 8.932 2.708 1.00 0.00 H new ATOM 158 N ASP A 12 -5.537 10.725 0.717 1.00 0.00 N ATOM 159 CA ASP A 12 -5.678 12.107 0.188 1.00 0.00 C ATOM 160 C ASP A 12 -5.091 12.169 -1.222 1.00 0.00 C ATOM 161 O ASP A 12 -5.755 12.544 -2.168 1.00 0.00 O ATOM 162 CB ASP A 12 -4.920 13.077 1.095 1.00 0.00 C ATOM 163 CG ASP A 12 -5.915 13.865 1.950 1.00 0.00 C ATOM 164 OD1 ASP A 12 -7.071 13.935 1.566 1.00 0.00 O ATOM 165 OD2 ASP A 12 -5.504 14.384 2.975 1.00 0.00 O ATOM 0 H ASP A 12 -4.918 10.631 1.523 1.00 0.00 H new ATOM 0 HA ASP A 12 -6.732 12.383 0.159 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.230 12.528 1.736 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.321 13.761 0.493 1.00 0.00 H new ATOM 170 N TYR A 13 -3.847 11.798 -1.371 1.00 0.00 N ATOM 171 CA TYR A 13 -3.224 11.832 -2.723 1.00 0.00 C ATOM 172 C TYR A 13 -3.998 10.898 -3.653 1.00 0.00 C ATOM 173 O TYR A 13 -3.915 10.997 -4.862 1.00 0.00 O ATOM 174 CB TYR A 13 -1.768 11.371 -2.627 1.00 0.00 C ATOM 175 CG TYR A 13 -0.997 11.883 -3.820 1.00 0.00 C ATOM 176 CD1 TYR A 13 -0.937 11.122 -4.993 1.00 0.00 C ATOM 177 CD2 TYR A 13 -0.341 13.118 -3.753 1.00 0.00 C ATOM 178 CE1 TYR A 13 -0.221 11.595 -6.099 1.00 0.00 C ATOM 179 CE2 TYR A 13 0.375 13.592 -4.860 1.00 0.00 C ATOM 180 CZ TYR A 13 0.435 12.830 -6.033 1.00 0.00 C ATOM 181 OH TYR A 13 1.140 13.296 -7.123 1.00 0.00 O ATOM 0 H TYR A 13 -3.239 11.475 -0.618 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.253 12.848 -3.117 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.319 11.740 -1.705 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.722 10.283 -2.591 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.443 10.169 -5.045 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.387 13.705 -2.848 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.175 11.007 -7.004 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.881 14.545 -4.809 1.00 0.00 H new ATOM 0 HH TYR A 13 1.533 14.168 -6.910 1.00 0.00 H new ATOM 191 N LEU A 14 -4.759 9.997 -3.093 1.00 0.00 N ATOM 192 CA LEU A 14 -5.550 9.055 -3.930 1.00 0.00 C ATOM 193 C LEU A 14 -6.738 9.803 -4.532 1.00 0.00 C ATOM 194 O LEU A 14 -6.823 9.991 -5.726 1.00 0.00 O ATOM 195 CB LEU A 14 -6.047 7.900 -3.058 1.00 0.00 C ATOM 196 CG LEU A 14 -5.080 6.717 -3.171 1.00 0.00 C ATOM 197 CD1 LEU A 14 -5.070 5.935 -1.856 1.00 0.00 C ATOM 198 CD2 LEU A 14 -5.532 5.791 -4.302 1.00 0.00 C ATOM 0 H LEU A 14 -4.866 9.874 -2.086 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.930 8.655 -4.732 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.124 8.222 -2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.046 7.597 -3.372 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.078 7.092 -3.382 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.382 5.094 -1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.748 6.589 -1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.073 5.564 -1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.843 4.950 -4.381 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.535 5.420 -4.090 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.541 6.342 -5.242 1.00 0.00 H new ATOM 210 N GLN A 15 -7.653 10.246 -3.716 1.00 0.00 N ATOM 211 CA GLN A 15 -8.821 10.997 -4.256 1.00 0.00 C ATOM 212 C GLN A 15 -8.354 12.366 -4.754 1.00 0.00 C ATOM 213 O GLN A 15 -9.107 13.112 -5.347 1.00 0.00 O ATOM 214 CB GLN A 15 -9.865 11.178 -3.154 1.00 0.00 C ATOM 215 CG GLN A 15 -10.397 9.807 -2.732 1.00 0.00 C ATOM 216 CD GLN A 15 -11.905 9.897 -2.491 1.00 0.00 C ATOM 217 OE1 GLN A 15 -12.672 9.170 -3.091 1.00 0.00 O ATOM 218 NE2 GLN A 15 -12.365 10.763 -1.631 1.00 0.00 N ATOM 0 H GLN A 15 -7.644 10.122 -2.704 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.264 10.442 -5.083 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.423 11.688 -2.298 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -10.683 11.804 -3.511 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.185 9.069 -3.506 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.892 9.473 -1.826 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -11.721 11.373 -1.127 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -13.369 10.830 -1.462 1.00 0.00 H new ATOM 227 N THR A 16 -7.114 12.702 -4.516 1.00 0.00 N ATOM 228 CA THR A 16 -6.596 14.022 -4.975 1.00 0.00 C ATOM 229 C THR A 16 -6.032 13.888 -6.385 1.00 0.00 C ATOM 230 O THR A 16 -6.571 14.412 -7.339 1.00 0.00 O ATOM 231 CB THR A 16 -5.492 14.494 -4.026 1.00 0.00 C ATOM 232 OG1 THR A 16 -6.065 14.847 -2.776 1.00 0.00 O ATOM 233 CG2 THR A 16 -4.786 15.710 -4.627 1.00 0.00 C ATOM 0 H THR A 16 -6.438 12.119 -4.023 1.00 0.00 H new ATOM 0 HA THR A 16 -7.408 14.749 -4.978 1.00 0.00 H new ATOM 0 HB THR A 16 -4.768 13.692 -3.881 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.397 14.041 -2.329 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.000 16.046 -3.951 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.347 15.438 -5.587 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.507 16.514 -4.773 1.00 0.00 H new ATOM 241 N TYR A 17 -4.951 13.188 -6.516 1.00 0.00 N ATOM 242 CA TYR A 17 -4.331 13.006 -7.860 1.00 0.00 C ATOM 243 C TYR A 17 -4.873 11.730 -8.508 1.00 0.00 C ATOM 244 O TYR A 17 -4.423 11.314 -9.557 1.00 0.00 O ATOM 245 CB TYR A 17 -2.812 12.900 -7.711 1.00 0.00 C ATOM 246 CG TYR A 17 -2.269 14.200 -7.171 1.00 0.00 C ATOM 247 CD1 TYR A 17 -2.203 14.411 -5.788 1.00 0.00 C ATOM 248 CD2 TYR A 17 -1.830 15.196 -8.052 1.00 0.00 C ATOM 249 CE1 TYR A 17 -1.700 15.616 -5.287 1.00 0.00 C ATOM 250 CE2 TYR A 17 -1.327 16.402 -7.550 1.00 0.00 C ATOM 251 CZ TYR A 17 -1.262 16.612 -6.168 1.00 0.00 C ATOM 252 OH TYR A 17 -0.766 17.801 -5.673 1.00 0.00 O ATOM 0 H TYR A 17 -4.461 12.728 -5.748 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.575 13.861 -8.490 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.558 12.080 -7.039 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.356 12.675 -8.675 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.541 13.643 -5.108 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.879 15.034 -9.119 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.649 15.778 -4.220 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.989 17.171 -8.229 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.505 18.382 -6.418 1.00 0.00 H new ATOM 262 N HIS A 18 -5.835 11.104 -7.889 1.00 0.00 N ATOM 263 CA HIS A 18 -6.407 9.854 -8.462 1.00 0.00 C ATOM 264 C HIS A 18 -5.271 8.945 -8.934 1.00 0.00 C ATOM 265 O HIS A 18 -5.292 8.417 -10.028 1.00 0.00 O ATOM 266 CB HIS A 18 -7.325 10.206 -9.633 1.00 0.00 C ATOM 267 CG HIS A 18 -8.624 10.732 -9.087 1.00 0.00 C ATOM 268 ND1 HIS A 18 -9.797 10.730 -9.824 1.00 0.00 N ATOM 269 CD2 HIS A 18 -8.950 11.269 -7.866 1.00 0.00 C ATOM 270 CE1 HIS A 18 -10.765 11.249 -9.045 1.00 0.00 C ATOM 271 NE2 HIS A 18 -10.301 11.595 -7.843 1.00 0.00 N ATOM 0 H HIS A 18 -6.251 11.406 -7.008 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.987 9.330 -7.702 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -6.853 10.953 -10.271 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -7.504 9.326 -10.251 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -8.261 11.416 -7.047 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -11.792 11.370 -9.356 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -10.825 12.010 -7.073 1.00 0.00 H new ATOM 279 N LYS A 19 -4.282 8.761 -8.103 1.00 0.00 N ATOM 280 CA LYS A 19 -3.134 7.886 -8.473 1.00 0.00 C ATOM 281 C LYS A 19 -2.090 7.943 -7.358 1.00 0.00 C ATOM 282 O LYS A 19 -1.689 9.005 -6.925 1.00 0.00 O ATOM 283 CB LYS A 19 -2.508 8.378 -9.779 1.00 0.00 C ATOM 284 CG LYS A 19 -1.927 9.778 -9.572 1.00 0.00 C ATOM 285 CD LYS A 19 -1.687 10.437 -10.932 1.00 0.00 C ATOM 286 CE LYS A 19 -0.187 10.458 -11.230 1.00 0.00 C ATOM 287 NZ LYS A 19 0.292 9.065 -11.461 1.00 0.00 N ATOM 0 H LYS A 19 -4.220 9.183 -7.176 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.482 6.862 -8.607 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.725 7.692 -10.100 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.258 8.397 -10.569 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.612 10.383 -8.978 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.992 9.717 -9.016 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.216 9.889 -11.712 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.083 11.453 -10.931 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.012 11.073 -12.108 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.354 10.907 -10.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.287 9.086 -11.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.209 8.519 -10.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.285 8.618 -12.201 1.00 0.00 H new ATOM 301 N LEU A 20 -1.644 6.812 -6.886 1.00 0.00 N ATOM 302 CA LEU A 20 -0.628 6.816 -5.798 1.00 0.00 C ATOM 303 C LEU A 20 0.472 7.825 -6.140 1.00 0.00 C ATOM 304 O LEU A 20 0.761 8.053 -7.297 1.00 0.00 O ATOM 305 CB LEU A 20 -0.012 5.421 -5.660 1.00 0.00 C ATOM 306 CG LEU A 20 -1.069 4.445 -5.144 1.00 0.00 C ATOM 307 CD1 LEU A 20 -0.399 3.124 -4.764 1.00 0.00 C ATOM 308 CD2 LEU A 20 -1.755 5.043 -3.914 1.00 0.00 C ATOM 0 H LEU A 20 -1.938 5.889 -7.205 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.105 7.093 -4.858 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.370 5.084 -6.624 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.835 5.452 -4.975 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.811 4.265 -5.922 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.152 2.427 -4.396 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.091 2.699 -5.640 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.342 3.303 -3.985 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.509 4.348 -3.544 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.014 5.222 -3.135 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.231 5.985 -4.185 1.00 0.00 H new ATOM 320 N PRO A 21 1.055 8.398 -5.118 1.00 0.00 N ATOM 321 CA PRO A 21 2.133 9.386 -5.285 1.00 0.00 C ATOM 322 C PRO A 21 3.254 8.818 -6.152 1.00 0.00 C ATOM 323 O PRO A 21 3.363 7.621 -6.340 1.00 0.00 O ATOM 324 CB PRO A 21 2.642 9.652 -3.864 1.00 0.00 C ATOM 325 CG PRO A 21 1.677 8.937 -2.882 1.00 0.00 C ATOM 326 CD PRO A 21 0.692 8.105 -3.720 1.00 0.00 C ATOM 0 HA PRO A 21 1.785 10.293 -5.778 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.658 9.277 -3.744 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.671 10.723 -3.661 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.233 8.297 -2.197 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.141 9.665 -2.273 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.785 7.041 -3.501 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.341 8.385 -3.511 1.00 0.00 H new ATOM 334 N ASP A 22 4.095 9.666 -6.673 1.00 0.00 N ATOM 335 CA ASP A 22 5.217 9.173 -7.515 1.00 0.00 C ATOM 336 C ASP A 22 6.234 8.460 -6.623 1.00 0.00 C ATOM 337 O ASP A 22 7.191 7.880 -7.097 1.00 0.00 O ATOM 338 CB ASP A 22 5.888 10.356 -8.217 1.00 0.00 C ATOM 339 CG ASP A 22 6.633 11.206 -7.186 1.00 0.00 C ATOM 340 OD1 ASP A 22 6.010 12.082 -6.610 1.00 0.00 O ATOM 341 OD2 ASP A 22 7.813 10.966 -6.990 1.00 0.00 O ATOM 0 H ASP A 22 4.053 10.678 -6.552 1.00 0.00 H new ATOM 0 HA ASP A 22 4.838 8.480 -8.266 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.582 9.996 -8.977 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.140 10.960 -8.730 1.00 0.00 H new ATOM 346 N ASN A 23 6.034 8.498 -5.332 1.00 0.00 N ATOM 347 CA ASN A 23 6.990 7.822 -4.413 1.00 0.00 C ATOM 348 C ASN A 23 6.520 6.390 -4.146 1.00 0.00 C ATOM 349 O ASN A 23 7.149 5.648 -3.417 1.00 0.00 O ATOM 350 CB ASN A 23 7.059 8.587 -3.090 1.00 0.00 C ATOM 351 CG ASN A 23 5.677 8.601 -2.435 1.00 0.00 C ATOM 352 OD1 ASN A 23 4.820 7.813 -2.781 1.00 0.00 O ATOM 353 ND2 ASN A 23 5.424 9.470 -1.492 1.00 0.00 N ATOM 0 H ASN A 23 5.251 8.967 -4.877 1.00 0.00 H new ATOM 0 HA ASN A 23 7.978 7.802 -4.874 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.784 8.118 -2.424 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.400 9.607 -3.265 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.507 9.486 -1.046 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.144 10.132 -1.202 1.00 0.00 H new ATOM 360 N TYR A 24 5.421 5.990 -4.729 1.00 0.00 N ATOM 361 CA TYR A 24 4.923 4.604 -4.498 1.00 0.00 C ATOM 362 C TYR A 24 5.521 3.664 -5.544 1.00 0.00 C ATOM 363 O TYR A 24 5.152 3.691 -6.701 1.00 0.00 O ATOM 364 CB TYR A 24 3.397 4.575 -4.606 1.00 0.00 C ATOM 365 CG TYR A 24 2.799 4.620 -3.220 1.00 0.00 C ATOM 366 CD1 TYR A 24 2.595 5.852 -2.591 1.00 0.00 C ATOM 367 CD2 TYR A 24 2.456 3.431 -2.563 1.00 0.00 C ATOM 368 CE1 TYR A 24 2.048 5.899 -1.304 1.00 0.00 C ATOM 369 CE2 TYR A 24 1.910 3.478 -1.275 1.00 0.00 C ATOM 370 CZ TYR A 24 1.705 4.712 -0.645 1.00 0.00 C ATOM 371 OH TYR A 24 1.167 4.759 0.625 1.00 0.00 O ATOM 0 H TYR A 24 4.850 6.561 -5.352 1.00 0.00 H new ATOM 0 HA TYR A 24 5.221 4.280 -3.501 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.046 5.423 -5.194 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.074 3.672 -5.125 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.860 6.768 -3.099 1.00 0.00 H new ATOM 0 HD2 TYR A 24 2.613 2.480 -3.050 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.890 6.851 -0.819 1.00 0.00 H new ATOM 0 HE2 TYR A 24 1.647 2.562 -0.767 1.00 0.00 H new ATOM 0 HH TYR A 24 1.081 3.849 0.978 1.00 0.00 H new ATOM 381 N ILE A 25 6.436 2.824 -5.145 1.00 0.00 N ATOM 382 CA ILE A 25 7.046 1.876 -6.117 1.00 0.00 C ATOM 383 C ILE A 25 6.610 0.453 -5.768 1.00 0.00 C ATOM 384 O ILE A 25 6.935 -0.067 -4.721 1.00 0.00 O ATOM 385 CB ILE A 25 8.574 1.981 -6.057 1.00 0.00 C ATOM 386 CG1 ILE A 25 9.091 1.320 -4.776 1.00 0.00 C ATOM 387 CG2 ILE A 25 8.986 3.455 -6.067 1.00 0.00 C ATOM 388 CD1 ILE A 25 9.477 -0.132 -5.069 1.00 0.00 C ATOM 0 H ILE A 25 6.787 2.754 -4.190 1.00 0.00 H new ATOM 0 HA ILE A 25 6.715 2.123 -7.126 1.00 0.00 H new ATOM 0 HB ILE A 25 9.001 1.474 -6.923 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.954 1.867 -4.395 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.324 1.354 -4.002 1.00 0.00 H new ATOM 0 HG21 ILE A 25 10.073 3.529 -6.024 1.00 0.00 H new ATOM 0 HG22 ILE A 25 8.626 3.927 -6.981 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.554 3.960 -5.203 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.845 -0.602 -4.157 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.603 -0.675 -5.430 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.258 -0.155 -5.829 1.00 0.00 H new ATOM 400 N THR A 26 5.869 -0.179 -6.634 1.00 0.00 N ATOM 401 CA THR A 26 5.411 -1.566 -6.344 1.00 0.00 C ATOM 402 C THR A 26 6.581 -2.379 -5.788 1.00 0.00 C ATOM 403 O THR A 26 7.718 -1.952 -5.827 1.00 0.00 O ATOM 404 CB THR A 26 4.905 -2.211 -7.633 1.00 0.00 C ATOM 405 OG1 THR A 26 5.963 -2.267 -8.580 1.00 0.00 O ATOM 406 CG2 THR A 26 3.751 -1.384 -8.201 1.00 0.00 C ATOM 0 H THR A 26 5.561 0.204 -7.528 1.00 0.00 H new ATOM 0 HA THR A 26 4.605 -1.542 -5.610 1.00 0.00 H new ATOM 0 HB THR A 26 4.554 -3.221 -7.421 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.616 -2.054 -9.471 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.391 -1.845 -9.121 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.940 -1.343 -7.474 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.098 -0.373 -8.414 1.00 0.00 H new ATOM 414 N LYS A 27 6.321 -3.550 -5.271 1.00 0.00 N ATOM 415 CA LYS A 27 7.444 -4.365 -4.721 1.00 0.00 C ATOM 416 C LYS A 27 8.361 -4.788 -5.862 1.00 0.00 C ATOM 417 O LYS A 27 9.563 -4.757 -5.737 1.00 0.00 O ATOM 418 CB LYS A 27 6.950 -5.621 -3.986 1.00 0.00 C ATOM 419 CG LYS A 27 5.420 -5.683 -3.949 1.00 0.00 C ATOM 420 CD LYS A 27 4.980 -6.970 -3.250 1.00 0.00 C ATOM 421 CE LYS A 27 5.382 -8.176 -4.102 1.00 0.00 C ATOM 422 NZ LYS A 27 4.948 -9.429 -3.424 1.00 0.00 N ATOM 0 H LYS A 27 5.395 -3.973 -5.206 1.00 0.00 H new ATOM 0 HA LYS A 27 7.977 -3.745 -4.000 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.340 -6.511 -4.481 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.340 -5.626 -2.968 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.023 -4.816 -3.422 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.019 -5.651 -4.962 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.441 -7.037 -2.265 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.901 -6.963 -3.097 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.924 -8.106 -5.089 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.462 -8.186 -4.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.221 -10.249 -4.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.405 -9.495 -2.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.915 -9.419 -3.304 1.00 0.00 H new ATOM 436 N SER A 28 7.809 -5.171 -6.981 1.00 0.00 N ATOM 437 CA SER A 28 8.673 -5.574 -8.124 1.00 0.00 C ATOM 438 C SER A 28 9.581 -4.396 -8.465 1.00 0.00 C ATOM 439 O SER A 28 10.786 -4.530 -8.607 1.00 0.00 O ATOM 440 CB SER A 28 7.804 -5.923 -9.332 1.00 0.00 C ATOM 441 OG SER A 28 6.483 -6.208 -8.891 1.00 0.00 O ATOM 0 H SER A 28 6.805 -5.222 -7.152 1.00 0.00 H new ATOM 0 HA SER A 28 9.268 -6.448 -7.860 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.793 -5.093 -10.039 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.219 -6.784 -9.857 1.00 0.00 H new ATOM 0 HG SER A 28 5.921 -6.431 -9.663 1.00 0.00 H new ATOM 447 N GLU A 29 9.010 -3.229 -8.568 1.00 0.00 N ATOM 448 CA GLU A 29 9.838 -2.038 -8.868 1.00 0.00 C ATOM 449 C GLU A 29 10.997 -2.028 -7.885 1.00 0.00 C ATOM 450 O GLU A 29 12.106 -1.659 -8.218 1.00 0.00 O ATOM 451 CB GLU A 29 9.003 -0.767 -8.701 1.00 0.00 C ATOM 452 CG GLU A 29 7.999 -0.661 -9.850 1.00 0.00 C ATOM 453 CD GLU A 29 8.705 -0.123 -11.096 1.00 0.00 C ATOM 454 OE1 GLU A 29 9.624 0.664 -10.938 1.00 0.00 O ATOM 455 OE2 GLU A 29 8.315 -0.507 -12.186 1.00 0.00 O ATOM 0 H GLU A 29 8.011 -3.053 -8.458 1.00 0.00 H new ATOM 0 HA GLU A 29 10.204 -2.074 -9.894 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.478 -0.787 -7.746 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.652 0.108 -8.689 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.564 -1.639 -10.059 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.178 -0.001 -9.570 1.00 0.00 H new ATOM 462 N ALA A 30 10.758 -2.460 -6.677 1.00 0.00 N ATOM 463 CA ALA A 30 11.862 -2.501 -5.693 1.00 0.00 C ATOM 464 C ALA A 30 12.828 -3.604 -6.116 1.00 0.00 C ATOM 465 O ALA A 30 14.018 -3.443 -6.071 1.00 0.00 O ATOM 466 CB ALA A 30 11.311 -2.785 -4.294 1.00 0.00 C ATOM 0 H ALA A 30 9.852 -2.783 -6.336 1.00 0.00 H new ATOM 0 HA ALA A 30 12.378 -1.541 -5.662 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.133 -2.813 -3.578 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.611 -1.999 -4.012 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.797 -3.746 -4.294 1.00 0.00 H new ATOM 472 N GLN A 31 12.333 -4.721 -6.558 1.00 0.00 N ATOM 473 CA GLN A 31 13.257 -5.794 -7.001 1.00 0.00 C ATOM 474 C GLN A 31 14.103 -5.245 -8.147 1.00 0.00 C ATOM 475 O GLN A 31 15.142 -5.778 -8.484 1.00 0.00 O ATOM 476 CB GLN A 31 12.453 -7.002 -7.486 1.00 0.00 C ATOM 477 CG GLN A 31 12.077 -7.880 -6.291 1.00 0.00 C ATOM 478 CD GLN A 31 13.314 -8.634 -5.800 1.00 0.00 C ATOM 479 OE1 GLN A 31 14.360 -8.575 -6.416 1.00 0.00 O ATOM 480 NE2 GLN A 31 13.240 -9.344 -4.708 1.00 0.00 N ATOM 0 H GLN A 31 11.339 -4.937 -6.631 1.00 0.00 H new ATOM 0 HA GLN A 31 13.895 -6.109 -6.175 1.00 0.00 H new ATOM 0 HB2 GLN A 31 11.553 -6.669 -8.003 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.038 -7.577 -8.203 1.00 0.00 H new ATOM 0 HG2 GLN A 31 11.671 -7.265 -5.488 1.00 0.00 H new ATOM 0 HG3 GLN A 31 11.297 -8.586 -6.577 1.00 0.00 H new ATOM 0 HE21 GLN A 31 12.362 -9.394 -4.191 1.00 0.00 H new ATOM 0 HE22 GLN A 31 14.060 -9.849 -4.372 1.00 0.00 H new ATOM 489 N ALA A 32 13.648 -4.184 -8.761 1.00 0.00 N ATOM 490 CA ALA A 32 14.397 -3.597 -9.898 1.00 0.00 C ATOM 491 C ALA A 32 15.711 -2.958 -9.440 1.00 0.00 C ATOM 492 O ALA A 32 16.750 -3.168 -10.035 1.00 0.00 O ATOM 493 CB ALA A 32 13.531 -2.537 -10.581 1.00 0.00 C ATOM 0 H ALA A 32 12.784 -3.700 -8.518 1.00 0.00 H new ATOM 0 HA ALA A 32 14.637 -4.400 -10.595 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.079 -2.103 -11.418 1.00 0.00 H new ATOM 0 HB2 ALA A 32 12.614 -2.998 -10.948 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.282 -1.754 -9.865 1.00 0.00 H new ATOM 499 N LEU A 33 15.678 -2.160 -8.414 1.00 0.00 N ATOM 500 CA LEU A 33 16.947 -1.493 -7.966 1.00 0.00 C ATOM 501 C LEU A 33 17.799 -2.423 -7.090 1.00 0.00 C ATOM 502 O LEU A 33 18.872 -2.056 -6.654 1.00 0.00 O ATOM 503 CB LEU A 33 16.676 -0.158 -7.231 1.00 0.00 C ATOM 504 CG LEU A 33 15.563 -0.272 -6.182 1.00 0.00 C ATOM 505 CD1 LEU A 33 14.193 -0.110 -6.847 1.00 0.00 C ATOM 506 CD2 LEU A 33 15.652 -1.623 -5.484 1.00 0.00 C ATOM 0 H LEU A 33 14.846 -1.937 -7.868 1.00 0.00 H new ATOM 0 HA LEU A 33 17.511 -1.266 -8.871 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.593 0.177 -6.746 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.404 0.605 -7.961 1.00 0.00 H new ATOM 0 HG LEU A 33 15.687 0.520 -5.443 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.410 -0.193 -6.093 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.134 0.868 -7.325 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.058 -0.889 -7.597 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.860 -1.701 -4.739 1.00 0.00 H new ATOM 0 HD22 LEU A 33 15.539 -2.420 -6.219 1.00 0.00 H new ATOM 0 HD23 LEU A 33 16.621 -1.716 -4.994 1.00 0.00 H new ATOM 518 N GLY A 34 17.353 -3.627 -6.841 1.00 0.00 N ATOM 519 CA GLY A 34 18.174 -4.557 -6.009 1.00 0.00 C ATOM 520 C GLY A 34 17.535 -4.767 -4.632 1.00 0.00 C ATOM 521 O GLY A 34 18.210 -5.081 -3.671 1.00 0.00 O ATOM 0 H GLY A 34 16.465 -4.004 -7.174 1.00 0.00 H new ATOM 0 HA2 GLY A 34 18.273 -5.516 -6.518 1.00 0.00 H new ATOM 0 HA3 GLY A 34 19.180 -4.154 -5.890 1.00 0.00 H new ATOM 525 N TRP A 35 16.245 -4.607 -4.521 1.00 0.00 N ATOM 526 CA TRP A 35 15.586 -4.813 -3.195 1.00 0.00 C ATOM 527 C TRP A 35 15.183 -6.285 -3.056 1.00 0.00 C ATOM 528 O TRP A 35 14.456 -6.821 -3.869 1.00 0.00 O ATOM 529 CB TRP A 35 14.343 -3.915 -3.091 1.00 0.00 C ATOM 530 CG TRP A 35 13.360 -4.474 -2.102 1.00 0.00 C ATOM 531 CD1 TRP A 35 13.499 -4.438 -0.757 1.00 0.00 C ATOM 532 CD2 TRP A 35 12.092 -5.145 -2.364 1.00 0.00 C ATOM 533 NE1 TRP A 35 12.393 -5.040 -0.178 1.00 0.00 N ATOM 534 CE2 TRP A 35 11.499 -5.491 -1.128 1.00 0.00 C ATOM 535 CE3 TRP A 35 11.406 -5.481 -3.544 1.00 0.00 C ATOM 536 CZ2 TRP A 35 10.266 -6.147 -1.068 1.00 0.00 C ATOM 537 CZ3 TRP A 35 10.168 -6.140 -3.486 1.00 0.00 C ATOM 538 CH2 TRP A 35 9.599 -6.472 -2.251 1.00 0.00 C ATOM 0 H TRP A 35 15.620 -4.345 -5.283 1.00 0.00 H new ATOM 0 HA TRP A 35 16.279 -4.551 -2.395 1.00 0.00 H new ATOM 0 HB2 TRP A 35 14.639 -2.911 -2.788 1.00 0.00 H new ATOM 0 HB3 TRP A 35 13.870 -3.826 -4.069 1.00 0.00 H new ATOM 0 HD1 TRP A 35 14.334 -4.011 -0.222 1.00 0.00 H new ATOM 0 HE1 TRP A 35 12.256 -5.138 0.828 1.00 0.00 H new ATOM 0 HE3 TRP A 35 11.835 -5.230 -4.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 9.832 -6.401 -0.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 9.651 -6.392 -4.400 1.00 0.00 H new ATOM 0 HH2 TRP A 35 8.646 -6.979 -2.213 1.00 0.00 H new ATOM 549 N VAL A 36 15.646 -6.936 -2.025 1.00 0.00 N ATOM 550 CA VAL A 36 15.286 -8.366 -1.824 1.00 0.00 C ATOM 551 C VAL A 36 14.037 -8.444 -0.945 1.00 0.00 C ATOM 552 O VAL A 36 14.057 -8.066 0.208 1.00 0.00 O ATOM 553 CB VAL A 36 16.441 -9.095 -1.138 1.00 0.00 C ATOM 554 CG1 VAL A 36 16.214 -10.605 -1.220 1.00 0.00 C ATOM 555 CG2 VAL A 36 17.755 -8.739 -1.839 1.00 0.00 C ATOM 0 H VAL A 36 16.259 -6.538 -1.313 1.00 0.00 H new ATOM 0 HA VAL A 36 15.090 -8.836 -2.788 1.00 0.00 H new ATOM 0 HB VAL A 36 16.491 -8.792 -0.092 1.00 0.00 H new ATOM 0 HG11 VAL A 36 17.038 -11.124 -0.731 1.00 0.00 H new ATOM 0 HG12 VAL A 36 15.278 -10.860 -0.723 1.00 0.00 H new ATOM 0 HG13 VAL A 36 16.164 -10.909 -2.266 1.00 0.00 H new ATOM 0 HG21 VAL A 36 18.580 -9.258 -1.351 1.00 0.00 H new ATOM 0 HG22 VAL A 36 17.703 -9.042 -2.885 1.00 0.00 H new ATOM 0 HG23 VAL A 36 17.918 -7.663 -1.781 1.00 0.00 H new ATOM 565 N ALA A 37 12.949 -8.921 -1.481 1.00 0.00 N ATOM 566 CA ALA A 37 11.702 -9.011 -0.674 1.00 0.00 C ATOM 567 C ALA A 37 11.935 -9.912 0.541 1.00 0.00 C ATOM 568 O ALA A 37 11.276 -9.787 1.553 1.00 0.00 O ATOM 569 CB ALA A 37 10.578 -9.589 -1.532 1.00 0.00 C ATOM 0 H ALA A 37 12.870 -9.252 -2.442 1.00 0.00 H new ATOM 0 HA ALA A 37 11.422 -8.014 -0.333 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.665 -9.654 -0.940 1.00 0.00 H new ATOM 0 HB2 ALA A 37 10.407 -8.942 -2.392 1.00 0.00 H new ATOM 0 HB3 ALA A 37 10.859 -10.584 -1.877 1.00 0.00 H new ATOM 615 N ASN A 41 15.213 -5.094 2.394 1.00 0.00 N ATOM 616 CA ASN A 41 16.249 -4.032 2.524 1.00 0.00 C ATOM 617 C ASN A 41 15.858 -2.825 1.668 1.00 0.00 C ATOM 618 O ASN A 41 16.672 -2.258 0.966 1.00 0.00 O ATOM 619 CB ASN A 41 17.603 -4.573 2.057 1.00 0.00 C ATOM 620 CG ASN A 41 17.430 -5.341 0.745 1.00 0.00 C ATOM 621 OD1 ASN A 41 17.079 -6.504 0.750 1.00 0.00 O ATOM 622 ND2 ASN A 41 17.667 -4.737 -0.386 1.00 0.00 N ATOM 0 HA ASN A 41 16.322 -3.727 3.568 1.00 0.00 H new ATOM 0 HB2 ASN A 41 18.305 -3.751 1.918 1.00 0.00 H new ATOM 0 HB3 ASN A 41 18.026 -5.228 2.819 1.00 0.00 H new ATOM 0 HD21 ASN A 41 17.558 -5.241 -1.266 1.00 0.00 H new ATOM 0 HD22 ASN A 41 17.962 -3.761 -0.391 1.00 0.00 H new ATOM 629 N LEU A 42 14.617 -2.425 1.724 1.00 0.00 N ATOM 630 CA LEU A 42 14.172 -1.252 0.919 1.00 0.00 C ATOM 631 C LEU A 42 14.897 0.001 1.407 1.00 0.00 C ATOM 632 O LEU A 42 15.318 0.832 0.631 1.00 0.00 O ATOM 633 CB LEU A 42 12.666 -1.062 1.092 1.00 0.00 C ATOM 634 CG LEU A 42 12.025 -0.772 -0.266 1.00 0.00 C ATOM 635 CD1 LEU A 42 12.198 -1.982 -1.185 1.00 0.00 C ATOM 636 CD2 LEU A 42 10.535 -0.491 -0.072 1.00 0.00 C ATOM 0 H LEU A 42 13.891 -2.860 2.293 1.00 0.00 H new ATOM 0 HA LEU A 42 14.402 -1.422 -0.133 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.224 -1.957 1.530 1.00 0.00 H new ATOM 0 HB3 LEU A 42 12.470 -0.240 1.781 1.00 0.00 H new ATOM 0 HG LEU A 42 12.507 0.096 -0.717 1.00 0.00 H new ATOM 0 HD11 LEU A 42 11.740 -1.773 -2.152 1.00 0.00 H new ATOM 0 HD12 LEU A 42 13.260 -2.186 -1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.717 -2.851 -0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.075 -0.284 -1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.056 -1.360 0.379 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.410 0.372 0.582 1.00 0.00 H new ATOM 648 N ALA A 43 15.042 0.141 2.692 1.00 0.00 N ATOM 649 CA ALA A 43 15.738 1.341 3.236 1.00 0.00 C ATOM 650 C ALA A 43 17.197 1.357 2.765 1.00 0.00 C ATOM 651 O ALA A 43 17.907 2.324 2.958 1.00 0.00 O ATOM 652 CB ALA A 43 15.699 1.301 4.767 1.00 0.00 C ATOM 0 H ALA A 43 14.709 -0.523 3.391 1.00 0.00 H new ATOM 0 HA ALA A 43 15.236 2.240 2.878 1.00 0.00 H new ATOM 0 HB1 ALA A 43 16.208 2.178 5.167 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.663 1.297 5.105 1.00 0.00 H new ATOM 0 HB3 ALA A 43 16.199 0.399 5.120 1.00 0.00 H new ATOM 658 N ASP A 44 17.656 0.294 2.157 1.00 0.00 N ATOM 659 CA ASP A 44 19.071 0.259 1.689 1.00 0.00 C ATOM 660 C ASP A 44 19.134 0.491 0.174 1.00 0.00 C ATOM 661 O ASP A 44 20.044 1.123 -0.325 1.00 0.00 O ATOM 662 CB ASP A 44 19.678 -1.108 2.015 1.00 0.00 C ATOM 663 CG ASP A 44 19.839 -1.248 3.529 1.00 0.00 C ATOM 664 OD1 ASP A 44 20.318 -0.309 4.143 1.00 0.00 O ATOM 665 OD2 ASP A 44 19.480 -2.291 4.050 1.00 0.00 O ATOM 0 H ASP A 44 17.113 -0.548 1.965 1.00 0.00 H new ATOM 0 HA ASP A 44 19.631 1.046 2.194 1.00 0.00 H new ATOM 0 HB2 ASP A 44 19.038 -1.903 1.632 1.00 0.00 H new ATOM 0 HB3 ASP A 44 20.646 -1.214 1.525 1.00 0.00 H new ATOM 670 N VAL A 45 18.185 -0.022 -0.563 1.00 0.00 N ATOM 671 CA VAL A 45 18.211 0.167 -2.044 1.00 0.00 C ATOM 672 C VAL A 45 17.116 1.148 -2.467 1.00 0.00 C ATOM 673 O VAL A 45 17.342 2.036 -3.266 1.00 0.00 O ATOM 674 CB VAL A 45 17.976 -1.177 -2.731 1.00 0.00 C ATOM 675 CG1 VAL A 45 19.056 -2.171 -2.298 1.00 0.00 C ATOM 676 CG2 VAL A 45 16.601 -1.717 -2.334 1.00 0.00 C ATOM 0 H VAL A 45 17.396 -0.561 -0.206 1.00 0.00 H new ATOM 0 HA VAL A 45 19.182 0.567 -2.335 1.00 0.00 H new ATOM 0 HB VAL A 45 18.019 -1.043 -3.812 1.00 0.00 H new ATOM 0 HG11 VAL A 45 18.887 -3.129 -2.789 1.00 0.00 H new ATOM 0 HG12 VAL A 45 20.037 -1.788 -2.579 1.00 0.00 H new ATOM 0 HG13 VAL A 45 19.015 -2.305 -1.217 1.00 0.00 H new ATOM 0 HG21 VAL A 45 16.432 -2.676 -2.823 1.00 0.00 H new ATOM 0 HG22 VAL A 45 16.560 -1.849 -1.253 1.00 0.00 H new ATOM 0 HG23 VAL A 45 15.830 -1.011 -2.643 1.00 0.00 H new ATOM 686 N ALA A 46 15.932 0.997 -1.942 1.00 0.00 N ATOM 687 CA ALA A 46 14.827 1.923 -2.322 1.00 0.00 C ATOM 688 C ALA A 46 14.167 2.492 -1.059 1.00 0.00 C ATOM 689 O ALA A 46 12.986 2.307 -0.846 1.00 0.00 O ATOM 690 CB ALA A 46 13.783 1.158 -3.139 1.00 0.00 C ATOM 0 H ALA A 46 15.681 0.274 -1.267 1.00 0.00 H new ATOM 0 HA ALA A 46 15.232 2.742 -2.916 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.974 1.833 -3.418 1.00 0.00 H new ATOM 0 HB2 ALA A 46 14.248 0.757 -4.040 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.383 0.339 -2.542 1.00 0.00 H new ATOM 696 N PRO A 47 14.951 3.174 -0.261 1.00 0.00 N ATOM 697 CA PRO A 47 14.459 3.789 0.987 1.00 0.00 C ATOM 698 C PRO A 47 13.395 4.845 0.674 1.00 0.00 C ATOM 699 O PRO A 47 13.178 5.202 -0.467 1.00 0.00 O ATOM 700 CB PRO A 47 15.695 4.446 1.616 1.00 0.00 C ATOM 701 CG PRO A 47 16.887 4.228 0.650 1.00 0.00 C ATOM 702 CD PRO A 47 16.385 3.382 -0.531 1.00 0.00 C ATOM 0 HA PRO A 47 13.997 3.060 1.653 1.00 0.00 H new ATOM 0 HB2 PRO A 47 15.522 5.510 1.777 1.00 0.00 H new ATOM 0 HB3 PRO A 47 15.907 4.007 2.591 1.00 0.00 H new ATOM 0 HG2 PRO A 47 17.273 5.184 0.298 1.00 0.00 H new ATOM 0 HG3 PRO A 47 17.706 3.722 1.162 1.00 0.00 H new ATOM 0 HD2 PRO A 47 16.539 3.896 -1.480 1.00 0.00 H new ATOM 0 HD3 PRO A 47 16.918 2.433 -0.593 1.00 0.00 H new ATOM 710 N GLY A 48 12.736 5.351 1.682 1.00 0.00 N ATOM 711 CA GLY A 48 11.689 6.389 1.449 1.00 0.00 C ATOM 712 C GLY A 48 10.845 6.011 0.231 1.00 0.00 C ATOM 713 O GLY A 48 10.665 6.797 -0.677 1.00 0.00 O ATOM 0 H GLY A 48 12.877 5.090 2.658 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.053 6.481 2.329 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.157 7.361 1.291 1.00 0.00 H new ATOM 717 N LYS A 49 10.323 4.816 0.204 1.00 0.00 N ATOM 718 CA LYS A 49 9.490 4.395 -0.957 1.00 0.00 C ATOM 719 C LYS A 49 8.283 3.598 -0.459 1.00 0.00 C ATOM 720 O LYS A 49 8.399 2.745 0.398 1.00 0.00 O ATOM 721 CB LYS A 49 10.325 3.522 -1.896 1.00 0.00 C ATOM 722 CG LYS A 49 10.420 4.191 -3.267 1.00 0.00 C ATOM 723 CD LYS A 49 11.027 5.586 -3.113 1.00 0.00 C ATOM 724 CE LYS A 49 11.533 6.077 -4.472 1.00 0.00 C ATOM 725 NZ LYS A 49 12.901 5.540 -4.715 1.00 0.00 N ATOM 0 H LYS A 49 10.437 4.114 0.935 1.00 0.00 H new ATOM 0 HA LYS A 49 9.145 5.279 -1.494 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.322 3.375 -1.482 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.871 2.536 -1.992 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.034 3.588 -3.936 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.430 4.261 -3.719 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.281 6.277 -2.720 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.847 5.560 -2.396 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.857 5.752 -5.263 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.549 7.167 -4.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.246 5.873 -5.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.542 5.871 -3.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.872 4.500 -4.711 1.00 0.00 H new ATOM 739 N SER A 50 7.123 3.870 -0.990 1.00 0.00 N ATOM 740 CA SER A 50 5.909 3.131 -0.549 1.00 0.00 C ATOM 741 C SER A 50 5.557 2.058 -1.581 1.00 0.00 C ATOM 742 O SER A 50 5.328 2.347 -2.738 1.00 0.00 O ATOM 743 CB SER A 50 4.741 4.110 -0.415 1.00 0.00 C ATOM 744 OG SER A 50 5.154 5.228 0.360 1.00 0.00 O ATOM 0 H SER A 50 6.964 4.573 -1.711 1.00 0.00 H new ATOM 0 HA SER A 50 6.103 2.657 0.413 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.411 4.438 -1.401 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.891 3.618 0.058 1.00 0.00 H new ATOM 0 HG SER A 50 4.496 5.949 0.271 1.00 0.00 H new ATOM 750 N ILE A 51 5.507 0.821 -1.172 1.00 0.00 N ATOM 751 CA ILE A 51 5.162 -0.263 -2.132 1.00 0.00 C ATOM 752 C ILE A 51 3.646 -0.287 -2.328 1.00 0.00 C ATOM 753 O ILE A 51 2.910 -0.732 -1.470 1.00 0.00 O ATOM 754 CB ILE A 51 5.624 -1.610 -1.573 1.00 0.00 C ATOM 755 CG1 ILE A 51 7.081 -1.500 -1.113 1.00 0.00 C ATOM 756 CG2 ILE A 51 5.509 -2.679 -2.661 1.00 0.00 C ATOM 757 CD1 ILE A 51 8.007 -1.444 -2.329 1.00 0.00 C ATOM 0 H ILE A 51 5.690 0.515 -0.216 1.00 0.00 H new ATOM 0 HA ILE A 51 5.657 -0.081 -3.086 1.00 0.00 H new ATOM 0 HB ILE A 51 4.997 -1.887 -0.725 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.213 -0.606 -0.503 1.00 0.00 H new ATOM 0 HG13 ILE A 51 7.339 -2.354 -0.487 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.838 -3.639 -2.264 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.472 -2.757 -2.986 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.135 -2.404 -3.509 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.042 -1.366 -1.995 1.00 0.00 H new ATOM 0 HD12 ILE A 51 7.884 -2.351 -2.922 1.00 0.00 H new ATOM 0 HD13 ILE A 51 7.756 -0.576 -2.938 1.00 0.00 H new ATOM 769 N GLY A 52 3.167 0.192 -3.443 1.00 0.00 N ATOM 770 CA GLY A 52 1.695 0.195 -3.666 1.00 0.00 C ATOM 771 C GLY A 52 1.388 -0.157 -5.120 1.00 0.00 C ATOM 772 O GLY A 52 2.270 -0.251 -5.949 1.00 0.00 O ATOM 0 H GLY A 52 3.726 0.578 -4.203 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.216 -0.523 -3.000 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.284 1.176 -3.426 1.00 0.00 H new ATOM 776 N GLY A 53 0.137 -0.351 -5.431 1.00 0.00 N ATOM 777 CA GLY A 53 -0.239 -0.698 -6.831 1.00 0.00 C ATOM 778 C GLY A 53 -0.247 -2.218 -6.998 1.00 0.00 C ATOM 779 O GLY A 53 -0.319 -2.732 -8.097 1.00 0.00 O ATOM 0 H GLY A 53 -0.642 -0.284 -4.776 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.223 -0.291 -7.066 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.467 -0.249 -7.530 1.00 0.00 H new ATOM 783 N ASP A 54 -0.174 -2.945 -5.915 1.00 0.00 N ATOM 784 CA ASP A 54 -0.179 -4.431 -6.016 1.00 0.00 C ATOM 785 C ASP A 54 -1.623 -4.930 -6.093 1.00 0.00 C ATOM 786 O ASP A 54 -2.521 -4.353 -5.512 1.00 0.00 O ATOM 787 CB ASP A 54 0.500 -5.031 -4.784 1.00 0.00 C ATOM 788 CG ASP A 54 1.968 -5.323 -5.101 1.00 0.00 C ATOM 789 OD1 ASP A 54 2.246 -6.415 -5.570 1.00 0.00 O ATOM 790 OD2 ASP A 54 2.789 -4.451 -4.868 1.00 0.00 O ATOM 0 H ASP A 54 -0.111 -2.574 -4.967 1.00 0.00 H new ATOM 0 HA ASP A 54 0.362 -4.735 -6.912 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.429 -4.340 -3.944 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.008 -5.948 -4.486 1.00 0.00 H new ATOM 795 N ILE A 55 -1.853 -5.997 -6.804 1.00 0.00 N ATOM 796 CA ILE A 55 -3.239 -6.532 -6.918 1.00 0.00 C ATOM 797 C ILE A 55 -3.667 -7.129 -5.575 1.00 0.00 C ATOM 798 O ILE A 55 -2.887 -7.754 -4.885 1.00 0.00 O ATOM 799 CB ILE A 55 -3.279 -7.615 -7.997 1.00 0.00 C ATOM 800 CG1 ILE A 55 -3.162 -6.963 -9.377 1.00 0.00 C ATOM 801 CG2 ILE A 55 -4.601 -8.380 -7.908 1.00 0.00 C ATOM 802 CD1 ILE A 55 -4.405 -6.111 -9.645 1.00 0.00 C ATOM 0 H ILE A 55 -1.141 -6.523 -7.312 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.920 -5.725 -7.189 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.449 -8.306 -7.847 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.266 -6.344 -9.424 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.060 -7.729 -10.146 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.628 -9.151 -8.678 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.687 -8.845 -6.926 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.431 -7.690 -8.057 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.323 -5.646 -10.628 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.293 -6.743 -9.616 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.486 -5.336 -8.883 1.00 0.00 H new ATOM 814 N PHE A 56 -4.904 -6.941 -5.201 1.00 0.00 N ATOM 815 CA PHE A 56 -5.385 -7.499 -3.906 1.00 0.00 C ATOM 816 C PHE A 56 -6.526 -8.483 -4.168 1.00 0.00 C ATOM 817 O PHE A 56 -7.681 -8.109 -4.219 1.00 0.00 O ATOM 818 CB PHE A 56 -5.884 -6.360 -3.013 1.00 0.00 C ATOM 819 CG PHE A 56 -6.287 -6.916 -1.668 1.00 0.00 C ATOM 820 CD1 PHE A 56 -5.313 -7.417 -0.797 1.00 0.00 C ATOM 821 CD2 PHE A 56 -7.635 -6.929 -1.292 1.00 0.00 C ATOM 822 CE1 PHE A 56 -5.687 -7.933 0.449 1.00 0.00 C ATOM 823 CE2 PHE A 56 -8.010 -7.444 -0.047 1.00 0.00 C ATOM 824 CZ PHE A 56 -7.037 -7.947 0.825 1.00 0.00 C ATOM 0 H PHE A 56 -5.602 -6.425 -5.737 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.567 -8.018 -3.407 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.102 -5.611 -2.889 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.732 -5.861 -3.481 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.273 -7.405 -1.086 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.386 -6.541 -1.964 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.935 -8.320 1.121 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -9.051 -7.454 0.242 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.326 -8.345 1.786 1.00 0.00 H new ATOM 905 N LYS A 62 -12.618 -9.410 3.340 1.00 0.00 N ATOM 906 CA LYS A 62 -13.193 -8.463 4.335 1.00 0.00 C ATOM 907 C LYS A 62 -13.473 -7.118 3.661 1.00 0.00 C ATOM 908 O LYS A 62 -14.014 -6.212 4.263 1.00 0.00 O ATOM 909 CB LYS A 62 -12.202 -8.264 5.483 1.00 0.00 C ATOM 910 CG LYS A 62 -12.554 -9.214 6.631 1.00 0.00 C ATOM 911 CD LYS A 62 -13.097 -8.408 7.814 1.00 0.00 C ATOM 912 CE LYS A 62 -14.394 -7.709 7.404 1.00 0.00 C ATOM 913 NZ LYS A 62 -15.211 -7.425 8.618 1.00 0.00 N ATOM 0 HA LYS A 62 -14.125 -8.871 4.727 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.186 -8.454 5.138 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -12.233 -7.231 5.829 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -13.297 -9.940 6.301 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.671 -9.776 6.935 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -13.279 -9.067 8.663 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.360 -7.671 8.134 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -14.169 -6.781 6.879 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -14.956 -8.338 6.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -16.093 -6.950 8.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -15.437 -8.318 9.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -14.674 -6.809 9.261 1.00 0.00 H new ATOM 927 N LEU A 63 -13.114 -6.982 2.414 1.00 0.00 N ATOM 928 CA LEU A 63 -13.365 -5.697 1.703 1.00 0.00 C ATOM 929 C LEU A 63 -14.706 -5.780 0.968 1.00 0.00 C ATOM 930 O LEU A 63 -15.102 -6.840 0.525 1.00 0.00 O ATOM 931 CB LEU A 63 -12.245 -5.446 0.691 1.00 0.00 C ATOM 932 CG LEU A 63 -10.995 -4.949 1.421 1.00 0.00 C ATOM 933 CD1 LEU A 63 -9.765 -5.185 0.545 1.00 0.00 C ATOM 934 CD2 LEU A 63 -11.132 -3.452 1.707 1.00 0.00 C ATOM 0 H LEU A 63 -12.658 -7.705 1.857 1.00 0.00 H new ATOM 0 HA LEU A 63 -13.392 -4.880 2.424 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.020 -6.364 0.147 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.565 -4.709 -0.046 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.885 -5.492 2.360 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.875 -4.831 1.065 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.665 -6.250 0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.877 -4.642 -0.393 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.242 -3.098 2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.243 -2.911 0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.009 -3.280 2.331 1.00 0.00 H new ATOM 946 N PRO A 64 -15.368 -4.656 0.864 1.00 0.00 N ATOM 947 CA PRO A 64 -16.674 -4.576 0.186 1.00 0.00 C ATOM 948 C PRO A 64 -16.535 -4.992 -1.282 1.00 0.00 C ATOM 949 O PRO A 64 -15.449 -5.028 -1.827 1.00 0.00 O ATOM 950 CB PRO A 64 -17.083 -3.101 0.294 1.00 0.00 C ATOM 951 CG PRO A 64 -15.960 -2.354 1.060 1.00 0.00 C ATOM 952 CD PRO A 64 -14.871 -3.380 1.410 1.00 0.00 C ATOM 0 HA PRO A 64 -17.415 -5.239 0.632 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -17.222 -2.669 -0.697 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -18.033 -3.005 0.820 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.547 -1.552 0.448 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.356 -1.893 1.965 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -13.913 -3.107 0.968 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.718 -3.443 2.487 1.00 0.00 H new ATOM 960 N GLY A 65 -17.626 -5.307 -1.926 1.00 0.00 N ATOM 961 CA GLY A 65 -17.555 -5.721 -3.355 1.00 0.00 C ATOM 962 C GLY A 65 -18.153 -7.120 -3.515 1.00 0.00 C ATOM 963 O GLY A 65 -19.354 -7.302 -3.451 1.00 0.00 O ATOM 0 H GLY A 65 -18.563 -5.295 -1.524 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -18.097 -5.009 -3.977 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -16.519 -5.716 -3.694 1.00 0.00 H new ATOM 1031 N THR A 70 -11.754 -7.181 -7.754 1.00 0.00 N ATOM 1032 CA THR A 70 -10.381 -6.671 -8.029 1.00 0.00 C ATOM 1033 C THR A 70 -10.100 -5.462 -7.136 1.00 0.00 C ATOM 1034 O THR A 70 -10.582 -4.373 -7.377 1.00 0.00 O ATOM 1035 CB THR A 70 -10.273 -6.255 -9.498 1.00 0.00 C ATOM 1036 OG1 THR A 70 -11.485 -6.571 -10.169 1.00 0.00 O ATOM 1037 CG2 THR A 70 -9.113 -7.001 -10.157 1.00 0.00 C ATOM 0 HA THR A 70 -9.654 -7.456 -7.821 1.00 0.00 H new ATOM 0 HB THR A 70 -10.093 -5.182 -9.560 1.00 0.00 H new ATOM 0 HG1 THR A 70 -12.187 -6.750 -9.509 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.037 -6.704 -11.203 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.184 -6.757 -9.642 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.290 -8.075 -10.097 1.00 0.00 H new ATOM 1045 N TRP A 71 -9.323 -5.645 -6.104 1.00 0.00 N ATOM 1046 CA TRP A 71 -9.010 -4.507 -5.196 1.00 0.00 C ATOM 1047 C TRP A 71 -7.562 -4.067 -5.411 1.00 0.00 C ATOM 1048 O TRP A 71 -6.753 -4.799 -5.944 1.00 0.00 O ATOM 1049 CB TRP A 71 -9.191 -4.949 -3.742 1.00 0.00 C ATOM 1050 CG TRP A 71 -10.600 -4.693 -3.311 1.00 0.00 C ATOM 1051 CD1 TRP A 71 -11.673 -5.417 -3.699 1.00 0.00 C ATOM 1052 CD2 TRP A 71 -11.104 -3.661 -2.416 1.00 0.00 C ATOM 1053 NE1 TRP A 71 -12.805 -4.895 -3.099 1.00 0.00 N ATOM 1054 CE2 TRP A 71 -12.506 -3.810 -2.300 1.00 0.00 C ATOM 1055 CE3 TRP A 71 -10.489 -2.617 -1.700 1.00 0.00 C ATOM 1056 CZ2 TRP A 71 -13.271 -2.957 -1.504 1.00 0.00 C ATOM 1057 CZ3 TRP A 71 -11.256 -1.757 -0.897 1.00 0.00 C ATOM 1058 CH2 TRP A 71 -12.644 -1.926 -0.800 1.00 0.00 C ATOM 0 H TRP A 71 -8.891 -6.534 -5.851 1.00 0.00 H new ATOM 0 HA TRP A 71 -9.682 -3.676 -5.413 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -8.956 -6.009 -3.642 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -8.499 -4.407 -3.098 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.651 -6.265 -4.368 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -13.746 -5.267 -3.231 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.420 -2.476 -1.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -14.340 -3.093 -1.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -10.773 -0.960 -0.351 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -13.228 -1.260 -0.182 1.00 0.00 H new ATOM 1069 N ARG A 72 -7.227 -2.881 -4.990 1.00 0.00 N ATOM 1070 CA ARG A 72 -5.829 -2.396 -5.159 1.00 0.00 C ATOM 1071 C ARG A 72 -5.223 -2.146 -3.777 1.00 0.00 C ATOM 1072 O ARG A 72 -5.825 -1.514 -2.932 1.00 0.00 O ATOM 1073 CB ARG A 72 -5.829 -1.098 -5.965 1.00 0.00 C ATOM 1074 CG ARG A 72 -6.348 -1.369 -7.378 1.00 0.00 C ATOM 1075 CD ARG A 72 -5.192 -1.262 -8.375 1.00 0.00 C ATOM 1076 NE ARG A 72 -5.669 -1.635 -9.738 1.00 0.00 N ATOM 1077 CZ ARG A 72 -6.544 -2.594 -9.887 1.00 0.00 C ATOM 1078 NH1 ARG A 72 -6.290 -3.786 -9.419 1.00 0.00 N ATOM 1079 NH2 ARG A 72 -7.669 -2.360 -10.503 1.00 0.00 N ATOM 0 H ARG A 72 -7.862 -2.225 -4.535 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.240 -3.143 -5.691 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.455 -0.353 -5.474 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.821 -0.687 -6.010 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.795 -2.362 -7.429 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.130 -0.654 -7.633 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -4.798 -0.246 -8.382 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -4.376 -1.918 -8.072 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.312 -1.141 -10.555 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.409 -3.968 -8.938 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.972 -4.535 -9.535 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.866 -1.428 -10.869 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.352 -3.109 -10.619 1.00 0.00 H new ATOM 1093 N GLU A 73 -4.043 -2.647 -3.533 1.00 0.00 N ATOM 1094 CA GLU A 73 -3.416 -2.445 -2.198 1.00 0.00 C ATOM 1095 C GLU A 73 -2.265 -1.442 -2.298 1.00 0.00 C ATOM 1096 O GLU A 73 -1.575 -1.363 -3.297 1.00 0.00 O ATOM 1097 CB GLU A 73 -2.873 -3.781 -1.687 1.00 0.00 C ATOM 1098 CG GLU A 73 -1.729 -4.246 -2.590 1.00 0.00 C ATOM 1099 CD GLU A 73 -1.736 -5.773 -2.677 1.00 0.00 C ATOM 1100 OE1 GLU A 73 -2.778 -6.324 -2.993 1.00 0.00 O ATOM 1101 OE2 GLU A 73 -0.699 -6.366 -2.428 1.00 0.00 O ATOM 0 H GLU A 73 -3.488 -3.186 -4.198 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.168 -2.058 -1.510 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.520 -3.674 -0.661 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.667 -4.528 -1.675 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.838 -3.814 -3.585 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.775 -3.898 -2.194 1.00 0.00 H new ATOM 1108 N ALA A 74 -2.049 -0.681 -1.259 1.00 0.00 N ATOM 1109 CA ALA A 74 -0.938 0.309 -1.275 1.00 0.00 C ATOM 1110 C ALA A 74 -0.181 0.236 0.051 1.00 0.00 C ATOM 1111 O ALA A 74 -0.750 -0.041 1.089 1.00 0.00 O ATOM 1112 CB ALA A 74 -1.497 1.718 -1.462 1.00 0.00 C ATOM 0 H ALA A 74 -2.596 -0.704 -0.399 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.264 0.080 -2.100 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.677 2.436 -1.473 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -2.039 1.772 -2.406 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.174 1.953 -0.641 1.00 0.00 H new ATOM 1118 N ASP A 75 1.100 0.477 0.023 1.00 0.00 N ATOM 1119 CA ASP A 75 1.901 0.414 1.278 1.00 0.00 C ATOM 1120 C ASP A 75 1.546 1.598 2.180 1.00 0.00 C ATOM 1121 O ASP A 75 1.415 2.718 1.730 1.00 0.00 O ATOM 1122 CB ASP A 75 3.391 0.465 0.934 1.00 0.00 C ATOM 1123 CG ASP A 75 4.014 -0.913 1.164 1.00 0.00 C ATOM 1124 OD1 ASP A 75 3.380 -1.894 0.814 1.00 0.00 O ATOM 1125 OD2 ASP A 75 5.115 -0.963 1.689 1.00 0.00 O ATOM 0 H ASP A 75 1.628 0.715 -0.816 1.00 0.00 H new ATOM 0 HA ASP A 75 1.677 -0.516 1.801 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.525 0.768 -0.104 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.893 1.210 1.551 1.00 0.00 H new ATOM 1130 N ILE A 76 1.394 1.356 3.453 1.00 0.00 N ATOM 1131 CA ILE A 76 1.054 2.465 4.387 1.00 0.00 C ATOM 1132 C ILE A 76 1.971 2.400 5.609 1.00 0.00 C ATOM 1133 O ILE A 76 2.196 1.346 6.171 1.00 0.00 O ATOM 1134 CB ILE A 76 -0.402 2.325 4.834 1.00 0.00 C ATOM 1135 CG1 ILE A 76 -1.319 2.530 3.628 1.00 0.00 C ATOM 1136 CG2 ILE A 76 -0.716 3.377 5.898 1.00 0.00 C ATOM 1137 CD1 ILE A 76 -1.319 4.008 3.231 1.00 0.00 C ATOM 0 H ILE A 76 1.491 0.438 3.886 1.00 0.00 H new ATOM 0 HA ILE A 76 1.189 3.421 3.882 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.562 1.331 5.253 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.980 1.918 2.792 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.332 2.207 3.869 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.754 3.275 6.215 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.059 3.234 6.756 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.559 4.373 5.483 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.973 4.154 2.371 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.678 4.609 4.066 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.306 4.315 2.972 1.00 0.00 H new ATOM 1149 N ASN A 77 2.508 3.515 6.021 1.00 0.00 N ATOM 1150 CA ASN A 77 3.413 3.509 7.203 1.00 0.00 C ATOM 1151 C ASN A 77 4.720 2.806 6.834 1.00 0.00 C ATOM 1152 O ASN A 77 4.721 1.681 6.373 1.00 0.00 O ATOM 1153 CB ASN A 77 2.739 2.761 8.357 1.00 0.00 C ATOM 1154 CG ASN A 77 2.573 3.704 9.550 1.00 0.00 C ATOM 1155 OD1 ASN A 77 3.035 4.828 9.520 1.00 0.00 O ATOM 1156 ND2 ASN A 77 1.929 3.293 10.606 1.00 0.00 N ATOM 0 H ASN A 77 2.359 4.428 5.591 1.00 0.00 H new ATOM 0 HA ASN A 77 3.623 4.534 7.509 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.767 2.383 8.041 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.339 1.897 8.644 1.00 0.00 H new ATOM 0 HD21 ASN A 77 1.813 3.914 11.407 1.00 0.00 H new ATOM 0 HD22 ASN A 77 1.541 2.350 10.632 1.00 0.00 H new ATOM 1163 N TYR A 78 5.834 3.457 7.031 1.00 0.00 N ATOM 1164 CA TYR A 78 7.131 2.823 6.692 1.00 0.00 C ATOM 1165 C TYR A 78 8.278 3.680 7.231 1.00 0.00 C ATOM 1166 O TYR A 78 8.270 4.890 7.115 1.00 0.00 O ATOM 1167 CB TYR A 78 7.253 2.691 5.171 1.00 0.00 C ATOM 1168 CG TYR A 78 8.666 2.305 4.807 1.00 0.00 C ATOM 1169 CD1 TYR A 78 9.684 3.265 4.836 1.00 0.00 C ATOM 1170 CD2 TYR A 78 8.958 0.986 4.441 1.00 0.00 C ATOM 1171 CE1 TYR A 78 10.994 2.907 4.497 1.00 0.00 C ATOM 1172 CE2 TYR A 78 10.268 0.627 4.102 1.00 0.00 C ATOM 1173 CZ TYR A 78 11.287 1.588 4.131 1.00 0.00 C ATOM 1174 OH TYR A 78 12.579 1.235 3.798 1.00 0.00 O ATOM 0 H TYR A 78 5.898 4.401 7.412 1.00 0.00 H new ATOM 0 HA TYR A 78 7.181 1.833 7.145 1.00 0.00 H new ATOM 0 HB2 TYR A 78 6.554 1.939 4.804 1.00 0.00 H new ATOM 0 HB3 TYR A 78 6.988 3.633 4.692 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.459 4.282 5.120 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.173 0.245 4.420 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.779 3.649 4.518 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.493 -0.390 3.818 1.00 0.00 H new ATOM 0 HH TYR A 78 12.732 0.295 4.031 1.00 0.00 H new ATOM 1184 N THR A 79 9.265 3.061 7.820 1.00 0.00 N ATOM 1185 CA THR A 79 10.414 3.835 8.366 1.00 0.00 C ATOM 1186 C THR A 79 11.712 3.108 8.043 1.00 0.00 C ATOM 1187 O THR A 79 12.423 3.451 7.119 1.00 0.00 O ATOM 1188 CB THR A 79 10.265 3.964 9.884 1.00 0.00 C ATOM 1189 OG1 THR A 79 9.633 2.800 10.398 1.00 0.00 O ATOM 1190 CG2 THR A 79 9.418 5.195 10.214 1.00 0.00 C ATOM 0 H THR A 79 9.324 2.051 7.946 1.00 0.00 H new ATOM 0 HA THR A 79 10.432 4.828 7.917 1.00 0.00 H new ATOM 0 HB THR A 79 11.250 4.072 10.337 1.00 0.00 H new ATOM 0 HG1 THR A 79 9.539 2.881 11.370 1.00 0.00 H new ATOM 0 HG21 THR A 79 9.313 5.285 11.295 1.00 0.00 H new ATOM 0 HG22 THR A 79 9.905 6.088 9.821 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.432 5.090 9.761 1.00 0.00 H new ATOM 1198 N SER A 80 12.019 2.106 8.802 1.00 0.00 N ATOM 1199 CA SER A 80 13.272 1.334 8.562 1.00 0.00 C ATOM 1200 C SER A 80 13.102 -0.090 9.092 1.00 0.00 C ATOM 1201 O SER A 80 12.311 -0.343 9.980 1.00 0.00 O ATOM 1202 CB SER A 80 14.435 2.015 9.285 1.00 0.00 C ATOM 1203 OG SER A 80 14.665 1.362 10.527 1.00 0.00 O ATOM 0 H SER A 80 11.455 1.780 9.587 1.00 0.00 H new ATOM 0 HA SER A 80 13.480 1.300 7.493 1.00 0.00 H new ATOM 0 HB2 SER A 80 15.333 1.976 8.669 1.00 0.00 H new ATOM 0 HB3 SER A 80 14.208 3.068 9.452 1.00 0.00 H new ATOM 0 HG SER A 80 15.411 1.796 10.991 1.00 0.00 H new ATOM 1209 N GLY A 81 13.839 -1.026 8.556 1.00 0.00 N ATOM 1210 CA GLY A 81 13.719 -2.433 9.031 1.00 0.00 C ATOM 1211 C GLY A 81 12.924 -3.250 8.011 1.00 0.00 C ATOM 1212 O GLY A 81 12.623 -2.786 6.930 1.00 0.00 O ATOM 0 H GLY A 81 14.518 -0.876 7.810 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.709 -2.867 9.168 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.222 -2.459 10.001 1.00 0.00 H new ATOM 1216 N PHE A 82 12.580 -4.464 8.346 1.00 0.00 N ATOM 1217 CA PHE A 82 11.805 -5.309 7.395 1.00 0.00 C ATOM 1218 C PHE A 82 10.503 -4.595 7.026 1.00 0.00 C ATOM 1219 O PHE A 82 10.131 -3.608 7.628 1.00 0.00 O ATOM 1220 CB PHE A 82 11.480 -6.652 8.052 1.00 0.00 C ATOM 1221 CG PHE A 82 12.400 -7.718 7.504 1.00 0.00 C ATOM 1222 CD1 PHE A 82 13.786 -7.589 7.654 1.00 0.00 C ATOM 1223 CD2 PHE A 82 11.868 -8.832 6.846 1.00 0.00 C ATOM 1224 CE1 PHE A 82 14.639 -8.575 7.148 1.00 0.00 C ATOM 1225 CE2 PHE A 82 12.721 -9.819 6.339 1.00 0.00 C ATOM 1226 CZ PHE A 82 14.108 -9.691 6.490 1.00 0.00 C ATOM 0 H PHE A 82 12.803 -4.907 9.238 1.00 0.00 H new ATOM 0 HA PHE A 82 12.396 -5.479 6.495 1.00 0.00 H new ATOM 0 HB2 PHE A 82 11.596 -6.577 9.133 1.00 0.00 H new ATOM 0 HB3 PHE A 82 10.441 -6.920 7.861 1.00 0.00 H new ATOM 0 HD1 PHE A 82 14.196 -6.728 8.161 1.00 0.00 H new ATOM 0 HD2 PHE A 82 10.799 -8.930 6.729 1.00 0.00 H new ATOM 0 HE1 PHE A 82 15.708 -8.476 7.265 1.00 0.00 H new ATOM 0 HE2 PHE A 82 12.310 -10.679 5.831 1.00 0.00 H new ATOM 0 HZ PHE A 82 14.767 -10.452 6.099 1.00 0.00 H new ATOM 1236 N ARG A 83 9.805 -5.087 6.039 1.00 0.00 N ATOM 1237 CA ARG A 83 8.528 -4.436 5.632 1.00 0.00 C ATOM 1238 C ARG A 83 7.587 -4.370 6.837 1.00 0.00 C ATOM 1239 O ARG A 83 7.899 -4.854 7.906 1.00 0.00 O ATOM 1240 CB ARG A 83 7.872 -5.252 4.516 1.00 0.00 C ATOM 1241 CG ARG A 83 8.542 -4.922 3.181 1.00 0.00 C ATOM 1242 CD ARG A 83 7.740 -5.549 2.039 1.00 0.00 C ATOM 1243 NE ARG A 83 7.619 -7.017 2.265 1.00 0.00 N ATOM 1244 CZ ARG A 83 6.741 -7.711 1.594 1.00 0.00 C ATOM 1245 NH1 ARG A 83 6.376 -7.324 0.402 1.00 0.00 N ATOM 1246 NH2 ARG A 83 6.228 -8.792 2.114 1.00 0.00 N ATOM 0 H ARG A 83 10.064 -5.911 5.497 1.00 0.00 H new ATOM 0 HA ARG A 83 8.731 -3.428 5.272 1.00 0.00 H new ATOM 0 HB2 ARG A 83 7.964 -6.317 4.728 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.806 -5.028 4.465 1.00 0.00 H new ATOM 0 HG2 ARG A 83 8.600 -3.842 3.048 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.564 -5.300 3.172 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.750 -5.096 1.984 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.232 -5.356 1.086 1.00 0.00 H new ATOM 0 HE ARG A 83 8.223 -7.480 2.945 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.777 -6.479 -0.005 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.690 -7.867 -0.122 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.513 -9.095 3.045 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.542 -9.334 1.589 1.00 0.00 H new ATOM 1260 N ASN A 84 6.438 -3.775 6.672 1.00 0.00 N ATOM 1261 CA ASN A 84 5.480 -3.679 7.811 1.00 0.00 C ATOM 1262 C ASN A 84 4.181 -4.401 7.449 1.00 0.00 C ATOM 1263 O ASN A 84 4.078 -5.036 6.418 1.00 0.00 O ATOM 1264 CB ASN A 84 5.180 -2.208 8.105 1.00 0.00 C ATOM 1265 CG ASN A 84 5.223 -1.405 6.803 1.00 0.00 C ATOM 1266 OD1 ASN A 84 5.864 -0.375 6.733 1.00 0.00 O ATOM 1267 ND2 ASN A 84 4.563 -1.834 5.764 1.00 0.00 N ATOM 0 H ASN A 84 6.121 -3.352 5.800 1.00 0.00 H new ATOM 0 HA ASN A 84 5.920 -4.143 8.694 1.00 0.00 H new ATOM 0 HB2 ASN A 84 4.199 -2.113 8.571 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.909 -1.812 8.812 1.00 0.00 H new ATOM 0 HD21 ASN A 84 4.585 -1.305 4.892 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.025 -2.699 5.823 1.00 0.00 H new ATOM 1274 N SER A 85 3.187 -4.312 8.291 1.00 0.00 N ATOM 1275 CA SER A 85 1.896 -4.994 7.995 1.00 0.00 C ATOM 1276 C SER A 85 0.794 -3.949 7.807 1.00 0.00 C ATOM 1277 O SER A 85 -0.363 -4.198 8.082 1.00 0.00 O ATOM 1278 CB SER A 85 1.528 -5.915 9.160 1.00 0.00 C ATOM 1279 OG SER A 85 0.762 -5.186 10.109 1.00 0.00 O ATOM 0 H SER A 85 3.214 -3.796 9.171 1.00 0.00 H new ATOM 0 HA SER A 85 1.999 -5.581 7.082 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.959 -6.771 8.797 1.00 0.00 H new ATOM 0 HB3 SER A 85 2.431 -6.307 9.628 1.00 0.00 H new ATOM 0 HG SER A 85 -0.137 -5.027 9.751 1.00 0.00 H new ATOM 1285 N ASP A 86 1.143 -2.780 7.341 1.00 0.00 N ATOM 1286 CA ASP A 86 0.109 -1.726 7.139 1.00 0.00 C ATOM 1287 C ASP A 86 -0.030 -1.424 5.646 1.00 0.00 C ATOM 1288 O ASP A 86 0.940 -1.170 4.960 1.00 0.00 O ATOM 1289 CB ASP A 86 0.524 -0.453 7.877 1.00 0.00 C ATOM 1290 CG ASP A 86 0.485 -0.701 9.386 1.00 0.00 C ATOM 1291 OD1 ASP A 86 0.189 -1.819 9.774 1.00 0.00 O ATOM 1292 OD2 ASP A 86 0.750 0.231 10.126 1.00 0.00 O ATOM 0 H ASP A 86 2.095 -2.511 7.093 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.846 -2.078 7.530 1.00 0.00 H new ATOM 0 HB2 ASP A 86 1.527 -0.154 7.573 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.146 0.366 7.615 1.00 0.00 H new ATOM 1297 N ARG A 87 -1.231 -1.448 5.139 1.00 0.00 N ATOM 1298 CA ARG A 87 -1.436 -1.162 3.691 1.00 0.00 C ATOM 1299 C ARG A 87 -2.871 -0.686 3.466 1.00 0.00 C ATOM 1300 O ARG A 87 -3.806 -1.229 4.014 1.00 0.00 O ATOM 1301 CB ARG A 87 -1.189 -2.436 2.879 1.00 0.00 C ATOM 1302 CG ARG A 87 0.316 -2.626 2.675 1.00 0.00 C ATOM 1303 CD ARG A 87 0.594 -2.965 1.211 1.00 0.00 C ATOM 1304 NE ARG A 87 1.648 -4.015 1.136 1.00 0.00 N ATOM 1305 CZ ARG A 87 1.843 -4.666 0.022 1.00 0.00 C ATOM 1306 NH1 ARG A 87 1.562 -4.101 -1.120 1.00 0.00 N ATOM 1307 NH2 ARG A 87 2.319 -5.880 0.050 1.00 0.00 N ATOM 0 H ARG A 87 -2.080 -1.653 5.665 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.740 -0.387 3.371 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.608 -3.298 3.398 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.692 -2.369 1.914 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.849 -1.718 2.956 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.683 -3.424 3.320 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.318 -3.315 0.728 1.00 0.00 H new ATOM 0 HD3 ARG A 87 0.916 -2.072 0.675 1.00 0.00 H new ATOM 0 HE ARG A 87 2.217 -4.225 1.956 1.00 0.00 H new ATOM 0 HH11 ARG A 87 1.190 -3.151 -1.141 1.00 0.00 H new ATOM 0 HH12 ARG A 87 1.714 -4.609 -1.991 1.00 0.00 H new ATOM 0 HH21 ARG A 87 2.539 -6.321 0.943 1.00 0.00 H new ATOM 0 HH22 ARG A 87 2.471 -6.388 -0.821 1.00 0.00 H new ATOM 1321 N ILE A 88 -3.055 0.322 2.662 1.00 0.00 N ATOM 1322 CA ILE A 88 -4.434 0.823 2.408 1.00 0.00 C ATOM 1323 C ILE A 88 -4.999 0.137 1.160 1.00 0.00 C ATOM 1324 O ILE A 88 -4.390 0.144 0.108 1.00 0.00 O ATOM 1325 CB ILE A 88 -4.393 2.337 2.198 1.00 0.00 C ATOM 1326 CG1 ILE A 88 -5.817 2.893 2.150 1.00 0.00 C ATOM 1327 CG2 ILE A 88 -3.683 2.649 0.884 1.00 0.00 C ATOM 1328 CD1 ILE A 88 -5.770 4.365 1.741 1.00 0.00 C ATOM 0 H ILE A 88 -2.313 0.820 2.171 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.073 0.598 3.262 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.854 2.799 3.025 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.418 2.325 1.440 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.293 2.789 3.125 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.653 3.728 0.734 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.666 2.259 0.919 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.222 2.182 0.059 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.783 4.765 1.706 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.183 4.926 2.468 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.310 4.455 0.757 1.00 0.00 H new ATOM 1340 N LEU A 89 -6.150 -0.467 1.277 1.00 0.00 N ATOM 1341 CA LEU A 89 -6.752 -1.166 0.105 1.00 0.00 C ATOM 1342 C LEU A 89 -7.747 -0.241 -0.602 1.00 0.00 C ATOM 1343 O LEU A 89 -8.877 -0.099 -0.181 1.00 0.00 O ATOM 1344 CB LEU A 89 -7.495 -2.417 0.586 1.00 0.00 C ATOM 1345 CG LEU A 89 -6.497 -3.545 0.850 1.00 0.00 C ATOM 1346 CD1 LEU A 89 -5.653 -3.780 -0.402 1.00 0.00 C ATOM 1347 CD2 LEU A 89 -5.582 -3.159 2.015 1.00 0.00 C ATOM 0 H LEU A 89 -6.701 -0.507 2.135 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.958 -1.444 -0.588 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -8.052 -2.193 1.495 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.221 -2.730 -0.164 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.039 -4.456 1.102 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.941 -4.584 -0.215 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.303 -4.056 -1.232 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.112 -2.867 -0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.871 -3.964 2.202 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.040 -2.247 1.765 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.183 -2.991 2.909 1.00 0.00 H new ATOM 1359 N TYR A 90 -7.351 0.372 -1.686 1.00 0.00 N ATOM 1360 CA TYR A 90 -8.298 1.262 -2.418 1.00 0.00 C ATOM 1361 C TYR A 90 -8.910 0.472 -3.578 1.00 0.00 C ATOM 1362 O TYR A 90 -8.242 -0.310 -4.224 1.00 0.00 O ATOM 1363 CB TYR A 90 -7.571 2.499 -2.955 1.00 0.00 C ATOM 1364 CG TYR A 90 -6.356 2.096 -3.756 1.00 0.00 C ATOM 1365 CD1 TYR A 90 -5.147 1.818 -3.106 1.00 0.00 C ATOM 1366 CD2 TYR A 90 -6.435 2.012 -5.151 1.00 0.00 C ATOM 1367 CE1 TYR A 90 -4.018 1.456 -3.850 1.00 0.00 C ATOM 1368 CE2 TYR A 90 -5.306 1.648 -5.895 1.00 0.00 C ATOM 1369 CZ TYR A 90 -4.098 1.370 -5.246 1.00 0.00 C ATOM 1370 OH TYR A 90 -2.986 1.013 -5.980 1.00 0.00 O ATOM 0 H TYR A 90 -6.419 0.296 -2.094 1.00 0.00 H new ATOM 0 HA TYR A 90 -9.080 1.598 -1.738 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.248 3.083 -3.579 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -7.270 3.139 -2.126 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -5.086 1.883 -2.030 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -7.366 2.228 -5.653 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.086 1.243 -3.348 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -5.368 1.582 -6.971 1.00 0.00 H new ATOM 0 HH TYR A 90 -3.214 1.000 -6.933 1.00 0.00 H new ATOM 1380 N SER A 91 -10.178 0.647 -3.837 1.00 0.00 N ATOM 1381 CA SER A 91 -10.821 -0.126 -4.944 1.00 0.00 C ATOM 1382 C SER A 91 -11.121 0.785 -6.140 1.00 0.00 C ATOM 1383 O SER A 91 -10.973 1.990 -6.075 1.00 0.00 O ATOM 1384 CB SER A 91 -12.125 -0.742 -4.439 1.00 0.00 C ATOM 1385 OG SER A 91 -12.022 -2.159 -4.487 1.00 0.00 O ATOM 0 H SER A 91 -10.794 1.286 -3.335 1.00 0.00 H new ATOM 0 HA SER A 91 -10.135 -0.910 -5.266 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.325 -0.414 -3.419 1.00 0.00 H new ATOM 0 HB3 SER A 91 -12.961 -0.405 -5.052 1.00 0.00 H new ATOM 0 HG SER A 91 -11.837 -2.504 -3.589 1.00 0.00 H new ATOM 1391 N SER A 92 -11.544 0.205 -7.237 1.00 0.00 N ATOM 1392 CA SER A 92 -11.857 1.017 -8.449 1.00 0.00 C ATOM 1393 C SER A 92 -13.039 1.937 -8.164 1.00 0.00 C ATOM 1394 O SER A 92 -13.226 2.949 -8.810 1.00 0.00 O ATOM 1395 CB SER A 92 -12.204 0.086 -9.612 1.00 0.00 C ATOM 1396 OG SER A 92 -12.761 -1.116 -9.099 1.00 0.00 O ATOM 0 H SER A 92 -11.686 -0.800 -7.343 1.00 0.00 H new ATOM 0 HA SER A 92 -10.988 1.620 -8.711 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.912 0.572 -10.283 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.311 -0.134 -10.196 1.00 0.00 H new ATOM 0 HG SER A 92 -12.986 -1.715 -9.841 1.00 0.00 H new ATOM 1402 N ASP A 93 -13.834 1.597 -7.193 1.00 0.00 N ATOM 1403 CA ASP A 93 -14.996 2.448 -6.851 1.00 0.00 C ATOM 1404 C ASP A 93 -14.562 3.481 -5.815 1.00 0.00 C ATOM 1405 O ASP A 93 -15.372 4.084 -5.138 1.00 0.00 O ATOM 1406 CB ASP A 93 -16.126 1.584 -6.283 1.00 0.00 C ATOM 1407 CG ASP A 93 -15.677 0.950 -4.966 1.00 0.00 C ATOM 1408 OD1 ASP A 93 -14.486 0.959 -4.704 1.00 0.00 O ATOM 1409 OD2 ASP A 93 -16.531 0.469 -4.242 1.00 0.00 O ATOM 0 H ASP A 93 -13.726 0.760 -6.619 1.00 0.00 H new ATOM 0 HA ASP A 93 -15.359 2.953 -7.746 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -17.016 2.193 -6.120 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -16.398 0.807 -6.998 1.00 0.00 H new ATOM 1414 N TRP A 94 -13.280 3.687 -5.693 1.00 0.00 N ATOM 1415 CA TRP A 94 -12.759 4.676 -4.715 1.00 0.00 C ATOM 1416 C TRP A 94 -13.016 4.191 -3.291 1.00 0.00 C ATOM 1417 O TRP A 94 -13.056 4.969 -2.359 1.00 0.00 O ATOM 1418 CB TRP A 94 -13.425 6.032 -4.942 1.00 0.00 C ATOM 1419 CG TRP A 94 -12.525 6.871 -5.789 1.00 0.00 C ATOM 1420 CD1 TRP A 94 -12.926 7.644 -6.821 1.00 0.00 C ATOM 1421 CD2 TRP A 94 -11.078 7.022 -5.700 1.00 0.00 C ATOM 1422 NE1 TRP A 94 -11.819 8.267 -7.369 1.00 0.00 N ATOM 1423 CE2 TRP A 94 -10.655 7.914 -6.712 1.00 0.00 C ATOM 1424 CE3 TRP A 94 -10.101 6.478 -4.845 1.00 0.00 C ATOM 1425 CZ2 TRP A 94 -9.310 8.254 -6.872 1.00 0.00 C ATOM 1426 CZ3 TRP A 94 -8.749 6.816 -5.004 1.00 0.00 C ATOM 1427 CH2 TRP A 94 -8.354 7.701 -6.015 1.00 0.00 C ATOM 0 H TRP A 94 -12.565 3.205 -6.237 1.00 0.00 H new ATOM 0 HA TRP A 94 -11.684 4.784 -4.857 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -14.391 5.902 -5.430 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -13.614 6.525 -3.988 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -13.944 7.757 -7.163 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -11.857 8.908 -8.161 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -10.394 5.796 -4.061 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -9.011 8.939 -7.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -8.008 6.391 -4.343 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -7.311 7.956 -6.133 1.00 0.00 H new ATOM 1438 N LEU A 95 -13.162 2.909 -3.108 1.00 0.00 N ATOM 1439 CA LEU A 95 -13.380 2.382 -1.735 1.00 0.00 C ATOM 1440 C LEU A 95 -12.023 2.325 -1.041 1.00 0.00 C ATOM 1441 O LEU A 95 -11.228 1.438 -1.286 1.00 0.00 O ATOM 1442 CB LEU A 95 -13.982 0.974 -1.803 1.00 0.00 C ATOM 1443 CG LEU A 95 -15.501 1.048 -1.633 1.00 0.00 C ATOM 1444 CD1 LEU A 95 -16.071 -0.367 -1.531 1.00 0.00 C ATOM 1445 CD2 LEU A 95 -15.837 1.823 -0.356 1.00 0.00 C ATOM 0 H LEU A 95 -13.140 2.207 -3.847 1.00 0.00 H new ATOM 0 HA LEU A 95 -14.068 3.025 -1.187 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -13.736 0.510 -2.758 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -13.550 0.346 -1.023 1.00 0.00 H new ATOM 0 HG LEU A 95 -15.937 1.557 -2.493 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -17.153 -0.316 -1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -15.833 -0.921 -2.439 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -15.633 -0.874 -0.671 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -16.919 1.875 -0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -15.401 1.314 0.504 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -15.431 2.832 -0.425 1.00 0.00 H new ATOM 1457 N ILE A 96 -11.734 3.278 -0.200 1.00 0.00 N ATOM 1458 CA ILE A 96 -10.410 3.284 0.477 1.00 0.00 C ATOM 1459 C ILE A 96 -10.511 2.648 1.863 1.00 0.00 C ATOM 1460 O ILE A 96 -11.206 3.130 2.737 1.00 0.00 O ATOM 1461 CB ILE A 96 -9.909 4.721 0.613 1.00 0.00 C ATOM 1462 CG1 ILE A 96 -10.213 5.492 -0.673 1.00 0.00 C ATOM 1463 CG2 ILE A 96 -8.400 4.707 0.850 1.00 0.00 C ATOM 1464 CD1 ILE A 96 -9.589 6.887 -0.591 1.00 0.00 C ATOM 0 H ILE A 96 -12.355 4.049 0.046 1.00 0.00 H new ATOM 0 HA ILE A 96 -9.710 2.705 -0.125 1.00 0.00 H new ATOM 0 HB ILE A 96 -10.409 5.204 1.452 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -9.816 4.955 -1.534 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -11.291 5.572 -0.816 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -8.038 5.730 0.948 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -8.180 4.155 1.764 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.904 4.225 0.007 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -9.805 7.437 -1.507 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -10.007 7.423 0.261 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -8.510 6.796 -0.469 1.00 0.00 H new ATOM 1476 N TYR A 97 -9.800 1.575 2.069 1.00 0.00 N ATOM 1477 CA TYR A 97 -9.814 0.899 3.393 1.00 0.00 C ATOM 1478 C TYR A 97 -8.386 0.894 3.939 1.00 0.00 C ATOM 1479 O TYR A 97 -7.437 1.072 3.204 1.00 0.00 O ATOM 1480 CB TYR A 97 -10.308 -0.540 3.229 1.00 0.00 C ATOM 1481 CG TYR A 97 -11.813 -0.575 3.347 1.00 0.00 C ATOM 1482 CD1 TYR A 97 -12.609 -0.081 2.305 1.00 0.00 C ATOM 1483 CD2 TYR A 97 -12.414 -1.101 4.497 1.00 0.00 C ATOM 1484 CE1 TYR A 97 -14.004 -0.115 2.414 1.00 0.00 C ATOM 1485 CE2 TYR A 97 -13.809 -1.135 4.606 1.00 0.00 C ATOM 1486 CZ TYR A 97 -14.604 -0.641 3.565 1.00 0.00 C ATOM 1487 OH TYR A 97 -15.980 -0.673 3.672 1.00 0.00 O ATOM 0 H TYR A 97 -9.204 1.134 1.368 1.00 0.00 H new ATOM 0 HA TYR A 97 -10.479 1.423 4.079 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -10.000 -0.933 2.260 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -9.858 -1.179 3.989 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -12.146 0.326 1.418 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -11.801 -1.481 5.301 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -14.618 0.264 1.610 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -14.272 -1.542 5.493 1.00 0.00 H new ATOM 0 HH TYR A 97 -16.267 -1.572 3.935 1.00 0.00 H new ATOM 1497 N LYS A 98 -8.213 0.703 5.216 1.00 0.00 N ATOM 1498 CA LYS A 98 -6.830 0.703 5.774 1.00 0.00 C ATOM 1499 C LYS A 98 -6.629 -0.516 6.680 1.00 0.00 C ATOM 1500 O LYS A 98 -7.336 -0.702 7.650 1.00 0.00 O ATOM 1501 CB LYS A 98 -6.611 1.979 6.587 1.00 0.00 C ATOM 1502 CG LYS A 98 -7.785 2.181 7.547 1.00 0.00 C ATOM 1503 CD LYS A 98 -7.252 2.522 8.939 1.00 0.00 C ATOM 1504 CE LYS A 98 -6.909 4.011 9.006 1.00 0.00 C ATOM 1505 NZ LYS A 98 -8.000 4.742 9.710 1.00 0.00 N ATOM 0 H LYS A 98 -8.960 0.548 5.893 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.114 0.660 4.953 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.678 1.911 7.146 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.521 2.837 5.920 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.430 2.982 7.186 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.393 1.277 7.590 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.997 2.276 9.695 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -6.367 1.924 9.157 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.964 4.154 9.530 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -6.779 4.411 8.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.844 5.767 9.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.916 4.494 9.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -8.003 4.477 10.716 1.00 0.00 H new ATOM 1519 N THR A 99 -5.661 -1.340 6.377 1.00 0.00 N ATOM 1520 CA THR A 99 -5.406 -2.536 7.228 1.00 0.00 C ATOM 1521 C THR A 99 -4.105 -2.326 8.006 1.00 0.00 C ATOM 1522 O THR A 99 -3.091 -1.953 7.448 1.00 0.00 O ATOM 1523 CB THR A 99 -5.274 -3.786 6.352 1.00 0.00 C ATOM 1524 OG1 THR A 99 -4.593 -4.799 7.078 1.00 0.00 O ATOM 1525 CG2 THR A 99 -4.487 -3.448 5.086 1.00 0.00 C ATOM 0 H THR A 99 -5.037 -1.235 5.577 1.00 0.00 H new ATOM 0 HA THR A 99 -6.239 -2.671 7.918 1.00 0.00 H new ATOM 0 HB THR A 99 -6.267 -4.140 6.074 1.00 0.00 H new ATOM 0 HG1 THR A 99 -5.091 -5.006 7.896 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.395 -4.340 4.466 1.00 0.00 H new ATOM 0 HG22 THR A 99 -5.010 -2.671 4.529 1.00 0.00 H new ATOM 0 HG23 THR A 99 -3.494 -3.092 5.359 1.00 0.00 H new ATOM 1533 N THR A 100 -4.125 -2.558 9.290 1.00 0.00 N ATOM 1534 CA THR A 100 -2.889 -2.367 10.100 1.00 0.00 C ATOM 1535 C THR A 100 -2.431 -3.714 10.663 1.00 0.00 C ATOM 1536 O THR A 100 -1.659 -3.774 11.599 1.00 0.00 O ATOM 1537 CB THR A 100 -3.181 -1.403 11.253 1.00 0.00 C ATOM 1538 OG1 THR A 100 -4.487 -1.651 11.756 1.00 0.00 O ATOM 1539 CG2 THR A 100 -3.092 0.039 10.750 1.00 0.00 C ATOM 0 H THR A 100 -4.943 -2.871 9.813 1.00 0.00 H new ATOM 0 HA THR A 100 -2.102 -1.953 9.470 1.00 0.00 H new ATOM 0 HB THR A 100 -2.450 -1.554 12.047 1.00 0.00 H new ATOM 0 HG1 THR A 100 -4.675 -1.036 12.495 1.00 0.00 H new ATOM 0 HG21 THR A 100 -3.300 0.724 11.572 1.00 0.00 H new ATOM 0 HG22 THR A 100 -2.090 0.229 10.364 1.00 0.00 H new ATOM 0 HG23 THR A 100 -3.822 0.193 9.955 1.00 0.00 H new ATOM 1547 N ASP A 101 -2.899 -4.795 10.102 1.00 0.00 N ATOM 1548 CA ASP A 101 -2.485 -6.133 10.609 1.00 0.00 C ATOM 1549 C ASP A 101 -2.241 -7.078 9.430 1.00 0.00 C ATOM 1550 O ASP A 101 -2.311 -8.283 9.565 1.00 0.00 O ATOM 1551 CB ASP A 101 -3.586 -6.707 11.503 1.00 0.00 C ATOM 1552 CG ASP A 101 -4.953 -6.245 10.996 1.00 0.00 C ATOM 1553 OD1 ASP A 101 -5.148 -6.246 9.793 1.00 0.00 O ATOM 1554 OD2 ASP A 101 -5.782 -5.898 11.822 1.00 0.00 O ATOM 0 H ASP A 101 -3.549 -4.809 9.316 1.00 0.00 H new ATOM 0 HA ASP A 101 -1.566 -6.030 11.186 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -3.537 -7.796 11.504 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.439 -6.380 12.532 1.00 0.00 H new ATOM 1559 N HIS A 102 -1.954 -6.539 8.274 1.00 0.00 N ATOM 1560 CA HIS A 102 -1.702 -7.406 7.086 1.00 0.00 C ATOM 1561 C HIS A 102 -3.034 -7.899 6.520 1.00 0.00 C ATOM 1562 O HIS A 102 -3.373 -9.062 6.623 1.00 0.00 O ATOM 1563 CB HIS A 102 -0.844 -8.606 7.496 1.00 0.00 C ATOM 1564 CG HIS A 102 0.090 -8.963 6.373 1.00 0.00 C ATOM 1565 ND1 HIS A 102 0.290 -10.273 5.966 1.00 0.00 N ATOM 1566 CD2 HIS A 102 0.887 -8.194 5.562 1.00 0.00 C ATOM 1567 CE1 HIS A 102 1.175 -10.252 4.954 1.00 0.00 C ATOM 1568 NE2 HIS A 102 1.572 -9.010 4.667 1.00 0.00 N ATOM 0 H HIS A 102 -1.883 -5.536 8.102 1.00 0.00 H new ATOM 0 HA HIS A 102 -1.176 -6.830 6.325 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -0.275 -8.369 8.395 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -1.481 -9.457 7.737 1.00 0.00 H new ATOM 0 HD2 HIS A 102 0.970 -7.118 5.611 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.523 -11.133 4.436 1.00 0.00 H new ATOM 0 HE2 HIS A 102 2.234 -8.722 3.947 1.00 0.00 H new ATOM 1576 N TYR A 103 -3.790 -7.023 5.921 1.00 0.00 N ATOM 1577 CA TYR A 103 -5.101 -7.435 5.343 1.00 0.00 C ATOM 1578 C TYR A 103 -5.908 -8.211 6.388 1.00 0.00 C ATOM 1579 O TYR A 103 -6.816 -8.948 6.061 1.00 0.00 O ATOM 1580 CB TYR A 103 -4.862 -8.318 4.118 1.00 0.00 C ATOM 1581 CG TYR A 103 -3.765 -7.716 3.272 1.00 0.00 C ATOM 1582 CD1 TYR A 103 -3.915 -6.428 2.745 1.00 0.00 C ATOM 1583 CD2 TYR A 103 -2.598 -8.445 3.015 1.00 0.00 C ATOM 1584 CE1 TYR A 103 -2.899 -5.868 1.961 1.00 0.00 C ATOM 1585 CE2 TYR A 103 -1.581 -7.886 2.232 1.00 0.00 C ATOM 1586 CZ TYR A 103 -1.732 -6.598 1.705 1.00 0.00 C ATOM 1587 OH TYR A 103 -0.729 -6.046 0.932 1.00 0.00 O ATOM 0 H TYR A 103 -3.557 -6.037 5.806 1.00 0.00 H new ATOM 0 HA TYR A 103 -5.660 -6.547 5.048 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -4.585 -9.325 4.430 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -5.779 -8.406 3.535 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -4.815 -5.866 2.943 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -2.482 -9.439 3.421 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -3.015 -4.874 1.554 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -0.680 -8.448 2.035 1.00 0.00 H new ATOM 0 HH TYR A 103 0.011 -6.683 0.853 1.00 0.00 H new ATOM 1597 N GLN A 104 -5.592 -8.046 7.644 1.00 0.00 N ATOM 1598 CA GLN A 104 -6.352 -8.768 8.704 1.00 0.00 C ATOM 1599 C GLN A 104 -7.492 -7.877 9.196 1.00 0.00 C ATOM 1600 O GLN A 104 -8.416 -8.324 9.845 1.00 0.00 O ATOM 1601 CB GLN A 104 -5.419 -9.099 9.869 1.00 0.00 C ATOM 1602 CG GLN A 104 -4.840 -10.501 9.676 1.00 0.00 C ATOM 1603 CD GLN A 104 -4.683 -11.182 11.037 1.00 0.00 C ATOM 1604 OE1 GLN A 104 -5.473 -12.031 11.399 1.00 0.00 O ATOM 1605 NE2 GLN A 104 -3.690 -10.842 11.812 1.00 0.00 N ATOM 0 H GLN A 104 -4.841 -7.443 7.981 1.00 0.00 H new ATOM 0 HA GLN A 104 -6.759 -9.694 8.298 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.614 -8.366 9.924 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -5.964 -9.045 10.812 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -5.496 -11.091 9.036 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -3.874 -10.441 9.174 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -3.027 -10.129 11.508 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -3.577 -11.289 12.722 1.00 0.00 H new ATOM 1614 N THR A 105 -7.428 -6.617 8.878 1.00 0.00 N ATOM 1615 CA THR A 105 -8.496 -5.672 9.302 1.00 0.00 C ATOM 1616 C THR A 105 -8.621 -4.578 8.244 1.00 0.00 C ATOM 1617 O THR A 105 -7.648 -4.181 7.638 1.00 0.00 O ATOM 1618 CB THR A 105 -8.124 -5.045 10.649 1.00 0.00 C ATOM 1619 OG1 THR A 105 -9.248 -4.351 11.173 1.00 0.00 O ATOM 1620 CG2 THR A 105 -6.965 -4.067 10.456 1.00 0.00 C ATOM 0 H THR A 105 -6.673 -6.196 8.336 1.00 0.00 H new ATOM 0 HA THR A 105 -9.443 -6.201 9.408 1.00 0.00 H new ATOM 0 HB THR A 105 -7.823 -5.829 11.344 1.00 0.00 H new ATOM 0 HG1 THR A 105 -9.012 -3.951 12.036 1.00 0.00 H new ATOM 0 HG21 THR A 105 -6.701 -3.622 11.415 1.00 0.00 H new ATOM 0 HG22 THR A 105 -6.103 -4.599 10.054 1.00 0.00 H new ATOM 0 HG23 THR A 105 -7.263 -3.282 9.761 1.00 0.00 H new ATOM 1628 N PHE A 106 -9.805 -4.090 8.003 1.00 0.00 N ATOM 1629 CA PHE A 106 -9.962 -3.031 6.968 1.00 0.00 C ATOM 1630 C PHE A 106 -10.885 -1.926 7.481 1.00 0.00 C ATOM 1631 O PHE A 106 -12.072 -2.120 7.647 1.00 0.00 O ATOM 1632 CB PHE A 106 -10.559 -3.644 5.702 1.00 0.00 C ATOM 1633 CG PHE A 106 -9.724 -4.827 5.279 1.00 0.00 C ATOM 1634 CD1 PHE A 106 -10.008 -6.101 5.785 1.00 0.00 C ATOM 1635 CD2 PHE A 106 -8.666 -4.651 4.380 1.00 0.00 C ATOM 1636 CE1 PHE A 106 -9.234 -7.199 5.392 1.00 0.00 C ATOM 1637 CE2 PHE A 106 -7.891 -5.749 3.986 1.00 0.00 C ATOM 1638 CZ PHE A 106 -8.176 -7.024 4.493 1.00 0.00 C ATOM 0 H PHE A 106 -10.664 -4.375 8.473 1.00 0.00 H new ATOM 0 HA PHE A 106 -8.985 -2.603 6.746 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -11.587 -3.957 5.886 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -10.589 -2.902 4.904 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -10.825 -6.237 6.479 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -8.447 -3.668 3.990 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -9.453 -8.182 5.783 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -7.075 -5.613 3.292 1.00 0.00 H new ATOM 0 HZ PHE A 106 -7.579 -7.872 4.190 1.00 0.00 H new ATOM 1648 N THR A 107 -10.346 -0.763 7.721 1.00 0.00 N ATOM 1649 CA THR A 107 -11.189 0.361 8.209 1.00 0.00 C ATOM 1650 C THR A 107 -11.555 1.257 7.024 1.00 0.00 C ATOM 1651 O THR A 107 -10.709 1.636 6.238 1.00 0.00 O ATOM 1652 CB THR A 107 -10.412 1.175 9.247 1.00 0.00 C ATOM 1653 OG1 THR A 107 -9.619 0.298 10.035 1.00 0.00 O ATOM 1654 CG2 THR A 107 -11.392 1.928 10.146 1.00 0.00 C ATOM 0 H THR A 107 -9.357 -0.543 7.600 1.00 0.00 H new ATOM 0 HA THR A 107 -12.095 -0.031 8.670 1.00 0.00 H new ATOM 0 HB THR A 107 -9.767 1.892 8.739 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.245 0.790 10.796 1.00 0.00 H new ATOM 0 HG21 THR A 107 -10.837 2.507 10.884 1.00 0.00 H new ATOM 0 HG22 THR A 107 -11.999 2.600 9.540 1.00 0.00 H new ATOM 0 HG23 THR A 107 -12.039 1.215 10.656 1.00 0.00 H new ATOM 1662 N LYS A 108 -12.808 1.592 6.885 1.00 0.00 N ATOM 1663 CA LYS A 108 -13.225 2.457 5.745 1.00 0.00 C ATOM 1664 C LYS A 108 -12.911 3.919 6.070 1.00 0.00 C ATOM 1665 O LYS A 108 -13.373 4.460 7.054 1.00 0.00 O ATOM 1666 CB LYS A 108 -14.728 2.299 5.510 1.00 0.00 C ATOM 1667 CG LYS A 108 -15.205 3.361 4.517 1.00 0.00 C ATOM 1668 CD LYS A 108 -16.729 3.303 4.401 1.00 0.00 C ATOM 1669 CE LYS A 108 -17.186 4.178 3.232 1.00 0.00 C ATOM 1670 NZ LYS A 108 -18.666 4.076 3.084 1.00 0.00 N ATOM 0 H LYS A 108 -13.561 1.305 7.511 1.00 0.00 H new ATOM 0 HA LYS A 108 -12.682 2.161 4.847 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -14.944 1.303 5.124 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -15.267 2.399 6.452 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -14.892 4.351 4.849 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -14.749 3.193 3.541 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -17.054 2.274 4.247 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -17.188 3.647 5.328 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -16.898 5.215 3.405 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -16.695 3.860 2.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -18.977 4.671 2.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -18.929 3.087 2.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -19.126 4.399 3.959 1.00 0.00 H new ATOM 1684 N ILE A 109 -12.130 4.564 5.247 1.00 0.00 N ATOM 1685 CA ILE A 109 -11.792 5.991 5.510 1.00 0.00 C ATOM 1686 C ILE A 109 -12.275 6.853 4.343 1.00 0.00 C ATOM 1687 O ILE A 109 -11.874 7.989 4.190 1.00 0.00 O ATOM 1688 CB ILE A 109 -10.277 6.137 5.663 1.00 0.00 C ATOM 1689 CG1 ILE A 109 -9.583 5.570 4.423 1.00 0.00 C ATOM 1690 CG2 ILE A 109 -9.812 5.369 6.902 1.00 0.00 C ATOM 1691 CD1 ILE A 109 -8.069 5.568 4.641 1.00 0.00 C ATOM 0 H ILE A 109 -11.712 4.166 4.406 1.00 0.00 H new ATOM 0 HA ILE A 109 -12.281 6.317 6.428 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.023 7.191 5.773 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -9.934 4.557 4.228 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -9.834 6.168 3.547 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -8.732 5.473 7.011 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -10.306 5.771 7.786 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -10.066 4.315 6.793 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -7.575 5.164 3.758 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -7.725 6.588 4.815 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -7.827 4.951 5.506 1.00 0.00 H new ATOM 1703 N ARG A 110 -13.136 6.322 3.519 1.00 0.00 N ATOM 1704 CA ARG A 110 -13.646 7.110 2.362 1.00 0.00 C ATOM 1705 C ARG A 110 -14.759 6.328 1.663 1.00 0.00 C ATOM 1706 O ARG A 110 -14.662 5.112 1.618 1.00 0.00 O ATOM 1707 CB ARG A 110 -12.505 7.367 1.376 1.00 0.00 C ATOM 1708 CG ARG A 110 -12.262 8.873 1.259 1.00 0.00 C ATOM 1709 CD ARG A 110 -10.784 9.173 1.514 1.00 0.00 C ATOM 1710 NE ARG A 110 -10.662 10.427 2.310 1.00 0.00 N ATOM 1711 CZ ARG A 110 -9.534 10.721 2.897 1.00 0.00 C ATOM 1712 NH1 ARG A 110 -8.994 9.875 3.731 1.00 0.00 N ATOM 1713 NH2 ARG A 110 -8.947 11.860 2.650 1.00 0.00 N ATOM 1714 OXT ARG A 110 -15.689 6.957 1.186 1.00 0.00 O ATOM 0 H ARG A 110 -13.509 5.376 3.597 1.00 0.00 H new ATOM 0 HA ARG A 110 -14.040 8.062 2.717 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -11.598 6.867 1.715 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -12.753 6.951 0.400 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -12.549 9.222 0.267 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -12.882 9.409 1.978 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -10.321 8.344 2.048 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -10.254 9.278 0.567 1.00 0.00 H new ATOM 0 HE ARG A 110 -11.460 11.056 2.396 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -9.453 8.985 3.924 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -8.112 10.104 4.190 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -9.370 12.521 1.998 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -8.065 12.090 3.109 1.00 0.00 H new