USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 721 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 HIS : no HD1:sc= -2.38 K(o=-5.6,f=-7.2) USER MOD Set 1.2: A 133 HIS : no HE2:sc= -3.19! C(o=-5.6!,f=-7!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.0079) USER MOD Single : A 9 SER OG : rot 170:sc= -0.561 USER MOD Single : A 11 LYS NZ :NH3+ -169:sc=-0.00559 (180deg=-0.175) USER MOD Single : A 12 GLN : amide:sc= -0.0852 K(o=-0.085,f=-1.9) USER MOD Single : A 15 THR OG1 : rot -81:sc= 0.735 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -1.21 K(o=-1.2,f=-3.7!) USER MOD Single : A 22 LYS NZ :NH3+ -139:sc= -0.17 (180deg=-0.652) USER MOD Single : A 31 SER OG : rot 137:sc= 0.0566 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 117:sc= 1.62 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot -2:sc= 0.928 USER MOD Single : A 77 TYR OH : rot 31:sc= 0.0296 USER MOD Single : A 79 ASN : amide:sc= -0.0178 K(o=-0.018,f=-1.5) USER MOD Single : A 81 LYS NZ :NH3+ -122:sc= 0.261 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.44) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.00952) USER MOD Single : A 99 GLN : amide:sc= -0.0804 K(o=-0.08,f=-1.5!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 29 N PHE A 3 4.059 -3.830 -1.665 1.00 0.00 N ATOM 30 CA PHE A 3 3.802 -5.126 -1.047 1.00 0.00 C ATOM 31 C PHE A 3 4.951 -6.094 -1.314 1.00 0.00 C ATOM 32 O PHE A 3 5.682 -5.952 -2.294 1.00 0.00 O ATOM 33 CB PHE A 3 2.491 -5.715 -1.573 1.00 0.00 C ATOM 34 CG PHE A 3 1.843 -6.679 -0.621 1.00 0.00 C ATOM 35 CD1 PHE A 3 2.214 -8.014 -0.605 1.00 0.00 C ATOM 36 CD2 PHE A 3 0.861 -6.250 0.258 1.00 0.00 C ATOM 37 CE1 PHE A 3 1.619 -8.903 0.270 1.00 0.00 C ATOM 38 CE2 PHE A 3 0.263 -7.135 1.136 1.00 0.00 C ATOM 39 CZ PHE A 3 0.642 -8.464 1.140 1.00 0.00 C ATOM 0 HA PHE A 3 3.719 -4.977 0.030 1.00 0.00 H new ATOM 0 HB2 PHE A 3 1.796 -4.903 -1.784 1.00 0.00 H new ATOM 0 HB3 PHE A 3 2.684 -6.224 -2.518 1.00 0.00 H new ATOM 0 HD1 PHE A 3 2.977 -8.364 -1.284 1.00 0.00 H new ATOM 0 HD2 PHE A 3 0.560 -5.213 0.257 1.00 0.00 H new ATOM 0 HE1 PHE A 3 1.918 -9.941 0.273 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -0.499 -6.788 1.818 1.00 0.00 H new ATOM 0 HZ PHE A 3 0.174 -9.158 1.823 1.00 0.00 H new ATOM 49 N LYS A 4 5.104 -7.078 -0.434 1.00 0.00 N ATOM 50 CA LYS A 4 6.163 -8.071 -0.574 1.00 0.00 C ATOM 51 C LYS A 4 5.694 -9.438 -0.085 1.00 0.00 C ATOM 52 O LYS A 4 4.787 -9.535 0.742 1.00 0.00 O ATOM 53 CB LYS A 4 7.404 -7.636 0.209 1.00 0.00 C ATOM 54 CG LYS A 4 8.353 -6.762 -0.593 1.00 0.00 C ATOM 55 CD LYS A 4 9.307 -7.596 -1.430 1.00 0.00 C ATOM 56 CE LYS A 4 9.893 -6.789 -2.579 1.00 0.00 C ATOM 57 NZ LYS A 4 10.787 -5.701 -2.093 1.00 0.00 N ATOM 0 H LYS A 4 4.508 -7.209 0.383 1.00 0.00 H new ATOM 0 HA LYS A 4 6.417 -8.150 -1.631 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.089 -7.093 1.100 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.939 -8.523 0.548 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.779 -6.102 -1.243 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.923 -6.126 0.084 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.113 -7.971 -0.799 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.781 -8.465 -1.826 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.453 -7.451 -3.240 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.085 -6.358 -3.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.166 -5.174 -2.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.247 -5.055 -1.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 11.573 -6.114 -1.551 1.00 0.00 H new ATOM 71 N PHE A 5 6.319 -10.491 -0.600 1.00 0.00 N ATOM 72 CA PHE A 5 5.966 -11.853 -0.216 1.00 0.00 C ATOM 73 C PHE A 5 6.206 -12.077 1.275 1.00 0.00 C ATOM 74 O PHE A 5 7.344 -12.063 1.741 1.00 0.00 O ATOM 75 CB PHE A 5 6.777 -12.862 -1.031 1.00 0.00 C ATOM 76 CG PHE A 5 6.813 -12.555 -2.501 1.00 0.00 C ATOM 77 CD1 PHE A 5 5.706 -12.016 -3.137 1.00 0.00 C ATOM 78 CD2 PHE A 5 7.953 -12.804 -3.247 1.00 0.00 C ATOM 79 CE1 PHE A 5 5.735 -11.732 -4.489 1.00 0.00 C ATOM 80 CE2 PHE A 5 7.989 -12.522 -4.599 1.00 0.00 C ATOM 81 CZ PHE A 5 6.879 -11.986 -5.221 1.00 0.00 C ATOM 0 H PHE A 5 7.073 -10.428 -1.284 1.00 0.00 H new ATOM 0 HA PHE A 5 4.906 -11.999 -0.422 1.00 0.00 H new ATOM 0 HB2 PHE A 5 7.797 -12.889 -0.649 1.00 0.00 H new ATOM 0 HB3 PHE A 5 6.355 -13.857 -0.886 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.810 -11.815 -2.569 1.00 0.00 H new ATOM 0 HD2 PHE A 5 8.824 -13.224 -2.766 1.00 0.00 H new ATOM 0 HE1 PHE A 5 4.865 -11.312 -4.973 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.885 -12.721 -5.169 1.00 0.00 H new ATOM 0 HZ PHE A 5 6.905 -11.766 -6.278 1.00 0.00 H new ATOM 91 N GLY A 6 5.122 -12.282 2.018 1.00 0.00 N ATOM 92 CA GLY A 6 5.235 -12.505 3.447 1.00 0.00 C ATOM 93 C GLY A 6 5.937 -13.808 3.778 1.00 0.00 C ATOM 94 O GLY A 6 6.523 -14.445 2.902 1.00 0.00 O ATOM 0 H GLY A 6 4.169 -12.297 1.656 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.781 -11.677 3.899 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.239 -12.510 3.891 1.00 0.00 H new ATOM 98 N LYS A 7 5.880 -14.204 5.044 1.00 0.00 N ATOM 99 CA LYS A 7 6.516 -15.438 5.490 1.00 0.00 C ATOM 100 C LYS A 7 5.931 -16.645 4.762 1.00 0.00 C ATOM 101 O LYS A 7 6.643 -17.597 4.448 1.00 0.00 O ATOM 102 CB LYS A 7 6.344 -15.608 7.001 1.00 0.00 C ATOM 103 CG LYS A 7 7.417 -16.471 7.642 1.00 0.00 C ATOM 104 CD LYS A 7 7.025 -17.940 7.642 1.00 0.00 C ATOM 105 CE LYS A 7 6.104 -18.271 8.806 1.00 0.00 C ATOM 106 NZ LYS A 7 6.011 -19.739 9.039 1.00 0.00 N ATOM 0 H LYS A 7 5.399 -13.688 5.781 1.00 0.00 H new ATOM 0 HA LYS A 7 7.579 -15.374 5.257 1.00 0.00 H new ATOM 0 HB2 LYS A 7 6.351 -14.625 7.472 1.00 0.00 H new ATOM 0 HB3 LYS A 7 5.368 -16.050 7.200 1.00 0.00 H new ATOM 0 HG2 LYS A 7 8.357 -16.344 7.104 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.589 -16.139 8.666 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.529 -18.185 6.703 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.922 -18.557 7.699 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.470 -17.782 9.709 1.00 0.00 H new ATOM 0 HE3 LYS A 7 5.110 -17.871 8.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.374 -19.924 9.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.638 -20.203 8.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.956 -20.117 9.253 1.00 0.00 H new ATOM 120 N ASN A 8 4.630 -16.596 4.496 1.00 0.00 N ATOM 121 CA ASN A 8 3.949 -17.685 3.804 1.00 0.00 C ATOM 122 C ASN A 8 4.234 -17.639 2.306 1.00 0.00 C ATOM 123 O ASN A 8 4.527 -18.662 1.688 1.00 0.00 O ATOM 124 CB ASN A 8 2.441 -17.610 4.051 1.00 0.00 C ATOM 125 CG ASN A 8 2.099 -17.553 5.528 1.00 0.00 C ATOM 126 OD1 ASN A 8 2.010 -16.475 6.114 1.00 0.00 O ATOM 127 ND2 ASN A 8 1.906 -18.718 6.135 1.00 0.00 N ATOM 0 H ASN A 8 4.026 -15.814 4.749 1.00 0.00 H new ATOM 0 HA ASN A 8 4.328 -18.627 4.199 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.037 -16.728 3.553 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.958 -18.478 3.602 1.00 0.00 H new ATOM 0 HD21 ASN A 8 1.673 -18.743 7.128 1.00 0.00 H new ATOM 0 HD22 ASN A 8 1.990 -19.588 5.608 1.00 0.00 H new ATOM 134 N SER A 9 4.145 -16.445 1.729 1.00 0.00 N ATOM 135 CA SER A 9 4.389 -16.266 0.302 1.00 0.00 C ATOM 136 C SER A 9 5.831 -16.618 -0.050 1.00 0.00 C ATOM 137 O SER A 9 6.082 -17.440 -0.931 1.00 0.00 O ATOM 138 CB SER A 9 4.088 -14.824 -0.111 1.00 0.00 C ATOM 139 OG SER A 9 2.707 -14.534 0.017 1.00 0.00 O ATOM 0 H SER A 9 3.906 -15.588 2.227 1.00 0.00 H new ATOM 0 HA SER A 9 3.726 -16.938 -0.243 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.666 -14.137 0.508 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.402 -14.665 -1.143 1.00 0.00 H new ATOM 0 HG SER A 9 2.563 -13.571 -0.096 1.00 0.00 H new ATOM 145 N GLU A 10 6.774 -15.989 0.644 1.00 0.00 N ATOM 146 CA GLU A 10 8.191 -16.234 0.404 1.00 0.00 C ATOM 147 C GLU A 10 8.491 -17.731 0.404 1.00 0.00 C ATOM 148 O GLU A 10 9.352 -18.203 -0.339 1.00 0.00 O ATOM 149 CB GLU A 10 9.040 -15.532 1.465 1.00 0.00 C ATOM 150 CG GLU A 10 10.517 -15.884 1.394 1.00 0.00 C ATOM 151 CD GLU A 10 11.361 -15.056 2.343 1.00 0.00 C ATOM 152 OE1 GLU A 10 11.822 -13.970 1.933 1.00 0.00 O ATOM 153 OE2 GLU A 10 11.559 -15.494 3.496 1.00 0.00 O ATOM 0 H GLU A 10 6.582 -15.306 1.377 1.00 0.00 H new ATOM 0 HA GLU A 10 8.443 -15.830 -0.577 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.926 -14.454 1.354 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.660 -15.792 2.453 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.646 -16.941 1.627 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.873 -15.737 0.374 1.00 0.00 H new ATOM 160 N LYS A 11 7.776 -18.471 1.244 1.00 0.00 N ATOM 161 CA LYS A 11 7.963 -19.914 1.342 1.00 0.00 C ATOM 162 C LYS A 11 7.334 -20.627 0.150 1.00 0.00 C ATOM 163 O LYS A 11 7.962 -21.479 -0.477 1.00 0.00 O ATOM 164 CB LYS A 11 7.355 -20.440 2.644 1.00 0.00 C ATOM 165 CG LYS A 11 8.088 -21.641 3.217 1.00 0.00 C ATOM 166 CD LYS A 11 8.018 -22.835 2.280 1.00 0.00 C ATOM 167 CE LYS A 11 6.579 -23.202 1.951 1.00 0.00 C ATOM 168 NZ LYS A 11 5.770 -23.431 3.181 1.00 0.00 N ATOM 0 H LYS A 11 7.061 -18.095 1.867 1.00 0.00 H new ATOM 0 HA LYS A 11 9.034 -20.117 1.340 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.353 -19.639 3.384 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.315 -20.711 2.466 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.131 -21.380 3.398 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.654 -21.908 4.181 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.556 -22.609 1.360 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.516 -23.689 2.739 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.126 -22.404 1.362 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.565 -24.101 1.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.857 -23.856 2.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.282 -24.073 3.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.605 -22.524 3.662 1.00 0.00 H new ATOM 182 N GLN A 12 6.090 -20.272 -0.158 1.00 0.00 N ATOM 183 CA GLN A 12 5.377 -20.878 -1.276 1.00 0.00 C ATOM 184 C GLN A 12 6.244 -20.892 -2.530 1.00 0.00 C ATOM 185 O GLN A 12 6.379 -21.922 -3.193 1.00 0.00 O ATOM 186 CB GLN A 12 4.076 -20.121 -1.549 1.00 0.00 C ATOM 187 CG GLN A 12 2.982 -20.405 -0.532 1.00 0.00 C ATOM 188 CD GLN A 12 2.002 -19.257 -0.393 1.00 0.00 C ATOM 189 OE1 GLN A 12 1.898 -18.405 -1.275 1.00 0.00 O ATOM 190 NE2 GLN A 12 1.278 -19.229 0.720 1.00 0.00 N ATOM 0 H GLN A 12 5.556 -19.568 0.351 1.00 0.00 H new ATOM 0 HA GLN A 12 5.140 -21.908 -1.009 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.283 -19.051 -1.558 1.00 0.00 H new ATOM 0 HB3 GLN A 12 3.714 -20.384 -2.543 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.442 -21.305 -0.827 1.00 0.00 H new ATOM 0 HG3 GLN A 12 3.437 -20.609 0.437 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.398 -19.957 1.425 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.602 -18.480 0.870 1.00 0.00 H new ATOM 199 N LEU A 13 6.829 -19.744 -2.853 1.00 0.00 N ATOM 200 CA LEU A 13 7.683 -19.623 -4.029 1.00 0.00 C ATOM 201 C LEU A 13 9.039 -20.278 -3.787 1.00 0.00 C ATOM 202 O LEU A 13 9.662 -20.799 -4.711 1.00 0.00 O ATOM 203 CB LEU A 13 7.873 -18.151 -4.398 1.00 0.00 C ATOM 204 CG LEU A 13 6.627 -17.418 -4.896 1.00 0.00 C ATOM 205 CD1 LEU A 13 5.845 -18.291 -5.865 1.00 0.00 C ATOM 206 CD2 LEU A 13 5.749 -17.001 -3.724 1.00 0.00 C ATOM 0 H LEU A 13 6.727 -18.883 -2.316 1.00 0.00 H new ATOM 0 HA LEU A 13 7.194 -20.137 -4.856 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.255 -17.624 -3.523 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.641 -18.087 -5.169 1.00 0.00 H new ATOM 0 HG LEU A 13 6.945 -16.519 -5.424 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.962 -17.752 -6.209 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.474 -18.539 -6.720 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.538 -19.208 -5.362 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.867 -16.481 -4.097 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.440 -17.886 -3.168 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.311 -16.337 -3.067 1.00 0.00 H new ATOM 218 N ALA A 14 9.490 -20.248 -2.537 1.00 0.00 N ATOM 219 CA ALA A 14 10.770 -20.842 -2.172 1.00 0.00 C ATOM 220 C ALA A 14 10.699 -22.365 -2.209 1.00 0.00 C ATOM 221 O ALA A 14 11.718 -23.048 -2.102 1.00 0.00 O ATOM 222 CB ALA A 14 11.199 -20.365 -0.792 1.00 0.00 C ATOM 0 H ALA A 14 8.988 -19.819 -1.760 1.00 0.00 H new ATOM 0 HA ALA A 14 11.513 -20.521 -2.902 1.00 0.00 H new ATOM 0 HB1 ALA A 14 12.156 -20.817 -0.532 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.299 -19.280 -0.797 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.449 -20.657 -0.057 1.00 0.00 H new ATOM 228 N THR A 15 9.488 -22.893 -2.361 1.00 0.00 N ATOM 229 CA THR A 15 9.284 -24.335 -2.410 1.00 0.00 C ATOM 230 C THR A 15 9.041 -24.808 -3.839 1.00 0.00 C ATOM 231 O THR A 15 8.963 -26.008 -4.102 1.00 0.00 O ATOM 232 CB THR A 15 8.095 -24.765 -1.531 1.00 0.00 C ATOM 233 OG1 THR A 15 7.131 -23.708 -1.460 1.00 0.00 O ATOM 234 CG2 THR A 15 8.561 -25.126 -0.129 1.00 0.00 C ATOM 0 H THR A 15 8.634 -22.343 -2.452 1.00 0.00 H new ATOM 0 HA THR A 15 10.195 -24.795 -2.027 1.00 0.00 H new ATOM 0 HB THR A 15 7.637 -25.645 -1.983 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.417 -23.048 -0.794 1.00 0.00 H new ATOM 0 HG21 THR A 15 7.704 -25.426 0.473 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.273 -25.950 -0.183 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.041 -24.261 0.329 1.00 0.00 H new ATOM 242 N VAL A 16 8.923 -23.857 -4.760 1.00 0.00 N ATOM 243 CA VAL A 16 8.691 -24.176 -6.164 1.00 0.00 C ATOM 244 C VAL A 16 9.867 -24.946 -6.754 1.00 0.00 C ATOM 245 O VAL A 16 11.022 -24.704 -6.402 1.00 0.00 O ATOM 246 CB VAL A 16 8.455 -22.903 -6.998 1.00 0.00 C ATOM 247 CG1 VAL A 16 9.774 -22.204 -7.291 1.00 0.00 C ATOM 248 CG2 VAL A 16 7.723 -23.239 -8.288 1.00 0.00 C ATOM 0 H VAL A 16 8.984 -22.859 -4.559 1.00 0.00 H new ATOM 0 HA VAL A 16 7.797 -24.798 -6.203 1.00 0.00 H new ATOM 0 HB VAL A 16 7.831 -22.222 -6.420 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.587 -21.307 -7.881 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.256 -21.928 -6.353 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.426 -22.876 -7.849 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.565 -22.328 -8.865 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.319 -23.939 -8.873 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.760 -23.691 -8.052 1.00 0.00 H new ATOM 258 N LYS A 17 9.566 -25.876 -7.654 1.00 0.00 N ATOM 259 CA LYS A 17 10.597 -26.682 -8.296 1.00 0.00 C ATOM 260 C LYS A 17 11.405 -25.847 -9.283 1.00 0.00 C ATOM 261 O LYS A 17 12.619 -25.687 -9.151 1.00 0.00 O ATOM 262 CB LYS A 17 9.966 -27.875 -9.018 1.00 0.00 C ATOM 263 CG LYS A 17 10.424 -29.221 -8.485 1.00 0.00 C ATOM 264 CD LYS A 17 9.557 -29.688 -7.328 1.00 0.00 C ATOM 265 CE LYS A 17 9.937 -31.090 -6.877 1.00 0.00 C ATOM 266 NZ LYS A 17 9.123 -31.537 -5.713 1.00 0.00 N ATOM 0 H LYS A 17 8.615 -26.090 -7.955 1.00 0.00 H new ATOM 0 HA LYS A 17 11.270 -27.049 -7.521 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.881 -27.809 -8.931 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.205 -27.814 -10.080 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.392 -29.960 -9.286 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.461 -29.150 -8.158 1.00 0.00 H new ATOM 0 HD2 LYS A 17 9.660 -28.996 -6.492 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.509 -29.673 -7.628 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.802 -31.787 -7.704 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.994 -31.112 -6.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.412 -32.497 -5.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.272 -30.887 -4.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.116 -31.540 -5.974 1.00 0.00 H new ATOM 280 N PRO A 18 10.719 -25.299 -10.297 1.00 0.00 N ATOM 281 CA PRO A 18 11.353 -24.468 -11.325 1.00 0.00 C ATOM 282 C PRO A 18 11.813 -23.121 -10.779 1.00 0.00 C ATOM 283 O PRO A 18 11.898 -22.929 -9.567 1.00 0.00 O ATOM 284 CB PRO A 18 10.241 -24.274 -12.360 1.00 0.00 C ATOM 285 CG PRO A 18 8.976 -24.437 -11.591 1.00 0.00 C ATOM 286 CD PRO A 18 9.270 -25.447 -10.517 1.00 0.00 C ATOM 0 HA PRO A 18 12.253 -24.934 -11.728 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.299 -23.289 -12.823 1.00 0.00 H new ATOM 0 HB3 PRO A 18 10.314 -25.008 -13.162 1.00 0.00 H new ATOM 0 HG2 PRO A 18 8.658 -23.489 -11.158 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.168 -24.779 -12.238 1.00 0.00 H new ATOM 0 HD2 PRO A 18 8.703 -25.244 -9.609 1.00 0.00 H new ATOM 0 HD3 PRO A 18 9.013 -26.458 -10.834 1.00 0.00 H new ATOM 294 N GLU A 19 12.108 -22.191 -11.683 1.00 0.00 N ATOM 295 CA GLU A 19 12.560 -20.861 -11.290 1.00 0.00 C ATOM 296 C GLU A 19 11.534 -19.801 -11.680 1.00 0.00 C ATOM 297 O GLU A 19 11.872 -18.629 -11.855 1.00 0.00 O ATOM 298 CB GLU A 19 13.909 -20.545 -11.938 1.00 0.00 C ATOM 299 CG GLU A 19 13.818 -20.270 -13.429 1.00 0.00 C ATOM 300 CD GLU A 19 14.743 -21.154 -14.243 1.00 0.00 C ATOM 301 OE1 GLU A 19 14.367 -22.312 -14.519 1.00 0.00 O ATOM 302 OE2 GLU A 19 15.844 -20.686 -14.604 1.00 0.00 O ATOM 0 H GLU A 19 12.042 -22.334 -12.691 1.00 0.00 H new ATOM 0 HA GLU A 19 12.675 -20.849 -10.206 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.346 -19.678 -11.443 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.587 -21.382 -11.772 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.791 -20.422 -13.761 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.062 -19.224 -13.617 1.00 0.00 H new ATOM 309 N LEU A 20 10.281 -20.220 -11.816 1.00 0.00 N ATOM 310 CA LEU A 20 9.205 -19.307 -12.186 1.00 0.00 C ATOM 311 C LEU A 20 9.066 -18.185 -11.162 1.00 0.00 C ATOM 312 O LEU A 20 8.682 -17.066 -11.502 1.00 0.00 O ATOM 313 CB LEU A 20 7.883 -20.068 -12.308 1.00 0.00 C ATOM 314 CG LEU A 20 7.217 -20.470 -10.992 1.00 0.00 C ATOM 315 CD1 LEU A 20 6.336 -19.343 -10.474 1.00 0.00 C ATOM 316 CD2 LEU A 20 6.405 -21.744 -11.172 1.00 0.00 C ATOM 0 H LEU A 20 9.985 -21.186 -11.676 1.00 0.00 H new ATOM 0 HA LEU A 20 9.453 -18.865 -13.151 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.183 -19.452 -12.873 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.059 -20.970 -12.894 1.00 0.00 H new ATOM 0 HG LEU A 20 7.998 -20.662 -10.256 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.870 -19.647 -9.537 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.944 -18.454 -10.306 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.562 -19.119 -11.208 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.938 -22.015 -10.225 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.633 -21.580 -11.923 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.062 -22.551 -11.497 1.00 0.00 H new ATOM 328 N GLN A 21 9.384 -18.492 -9.909 1.00 0.00 N ATOM 329 CA GLN A 21 9.296 -17.508 -8.836 1.00 0.00 C ATOM 330 C GLN A 21 10.138 -16.277 -9.156 1.00 0.00 C ATOM 331 O GLN A 21 9.822 -15.167 -8.727 1.00 0.00 O ATOM 332 CB GLN A 21 9.752 -18.123 -7.512 1.00 0.00 C ATOM 333 CG GLN A 21 11.159 -18.697 -7.561 1.00 0.00 C ATOM 334 CD GLN A 21 12.221 -17.668 -7.227 1.00 0.00 C ATOM 335 OE1 GLN A 21 11.910 -16.543 -6.835 1.00 0.00 O ATOM 336 NE2 GLN A 21 13.484 -18.048 -7.381 1.00 0.00 N ATOM 0 H GLN A 21 9.705 -19.413 -9.612 1.00 0.00 H new ATOM 0 HA GLN A 21 8.255 -17.199 -8.745 1.00 0.00 H new ATOM 0 HB2 GLN A 21 9.706 -17.362 -6.733 1.00 0.00 H new ATOM 0 HB3 GLN A 21 9.056 -18.913 -7.229 1.00 0.00 H new ATOM 0 HG2 GLN A 21 11.232 -19.529 -6.861 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.349 -19.099 -8.556 1.00 0.00 H new ATOM 0 HE21 GLN A 21 13.697 -18.990 -7.708 1.00 0.00 H new ATOM 0 HE22 GLN A 21 14.241 -17.398 -7.172 1.00 0.00 H new ATOM 345 N LYS A 22 11.212 -16.482 -9.911 1.00 0.00 N ATOM 346 CA LYS A 22 12.100 -15.389 -10.290 1.00 0.00 C ATOM 347 C LYS A 22 11.318 -14.253 -10.940 1.00 0.00 C ATOM 348 O LYS A 22 11.373 -13.109 -10.487 1.00 0.00 O ATOM 349 CB LYS A 22 13.181 -15.893 -11.249 1.00 0.00 C ATOM 350 CG LYS A 22 13.998 -17.047 -10.693 1.00 0.00 C ATOM 351 CD LYS A 22 15.254 -16.555 -9.994 1.00 0.00 C ATOM 352 CE LYS A 22 16.270 -16.015 -10.990 1.00 0.00 C ATOM 353 NZ LYS A 22 16.627 -17.027 -12.022 1.00 0.00 N ATOM 0 H LYS A 22 11.489 -17.395 -10.273 1.00 0.00 H new ATOM 0 HA LYS A 22 12.574 -15.008 -9.385 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.710 -16.208 -12.180 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.851 -15.069 -11.493 1.00 0.00 H new ATOM 0 HG2 LYS A 22 13.391 -17.619 -9.992 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.272 -17.723 -11.503 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.992 -15.774 -9.280 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.699 -17.371 -9.425 1.00 0.00 H new ATOM 0 HE2 LYS A 22 15.865 -15.127 -11.476 1.00 0.00 H new ATOM 0 HE3 LYS A 22 17.170 -15.705 -10.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.650 -16.990 -12.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 16.370 -17.976 -11.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 16.111 -16.823 -12.901 1.00 0.00 H new ATOM 367 N VAL A 23 10.589 -14.575 -12.004 1.00 0.00 N ATOM 368 CA VAL A 23 9.794 -13.581 -12.715 1.00 0.00 C ATOM 369 C VAL A 23 8.822 -12.878 -11.774 1.00 0.00 C ATOM 370 O VAL A 23 8.588 -11.676 -11.891 1.00 0.00 O ATOM 371 CB VAL A 23 9.000 -14.219 -13.871 1.00 0.00 C ATOM 372 CG1 VAL A 23 7.748 -13.410 -14.170 1.00 0.00 C ATOM 373 CG2 VAL A 23 9.873 -14.344 -15.111 1.00 0.00 C ATOM 0 H VAL A 23 10.533 -15.516 -12.392 1.00 0.00 H new ATOM 0 HA VAL A 23 10.493 -12.851 -13.123 1.00 0.00 H new ATOM 0 HB VAL A 23 8.692 -15.220 -13.568 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.201 -13.876 -14.989 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.115 -13.377 -13.283 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.029 -12.396 -14.453 1.00 0.00 H new ATOM 0 HG21 VAL A 23 9.296 -14.797 -15.918 1.00 0.00 H new ATOM 0 HG22 VAL A 23 10.212 -13.355 -15.418 1.00 0.00 H new ATOM 0 HG23 VAL A 23 10.736 -14.970 -14.887 1.00 0.00 H new ATOM 383 N ALA A 24 8.260 -13.637 -10.838 1.00 0.00 N ATOM 384 CA ALA A 24 7.316 -13.087 -9.874 1.00 0.00 C ATOM 385 C ALA A 24 7.960 -11.981 -9.044 1.00 0.00 C ATOM 386 O ALA A 24 7.423 -10.879 -8.937 1.00 0.00 O ATOM 387 CB ALA A 24 6.784 -14.188 -8.969 1.00 0.00 C ATOM 0 H ALA A 24 8.443 -14.634 -10.728 1.00 0.00 H new ATOM 0 HA ALA A 24 6.483 -12.652 -10.426 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.080 -13.763 -8.254 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.278 -14.942 -9.572 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.613 -14.649 -8.432 1.00 0.00 H new ATOM 393 N ARG A 25 9.114 -12.284 -8.457 1.00 0.00 N ATOM 394 CA ARG A 25 9.830 -11.317 -7.635 1.00 0.00 C ATOM 395 C ARG A 25 10.177 -10.069 -8.441 1.00 0.00 C ATOM 396 O ARG A 25 9.835 -8.952 -8.054 1.00 0.00 O ATOM 397 CB ARG A 25 11.105 -11.942 -7.068 1.00 0.00 C ATOM 398 CG ARG A 25 11.979 -10.960 -6.305 1.00 0.00 C ATOM 399 CD ARG A 25 13.238 -11.628 -5.775 1.00 0.00 C ATOM 400 NE ARG A 25 14.426 -10.809 -5.994 1.00 0.00 N ATOM 401 CZ ARG A 25 14.771 -9.791 -5.213 1.00 0.00 C ATOM 402 NH1 ARG A 25 14.022 -9.469 -4.168 1.00 0.00 N ATOM 403 NH2 ARG A 25 15.868 -9.092 -5.478 1.00 0.00 N ATOM 0 H ARG A 25 9.572 -13.192 -8.536 1.00 0.00 H new ATOM 0 HA ARG A 25 9.179 -11.026 -6.811 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.833 -12.764 -6.405 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.684 -12.371 -7.886 1.00 0.00 H new ATOM 0 HG2 ARG A 25 12.253 -10.132 -6.958 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.413 -10.537 -5.475 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.124 -11.823 -4.709 1.00 0.00 H new ATOM 0 HD3 ARG A 25 13.369 -12.594 -6.263 1.00 0.00 H new ATOM 0 HE ARG A 25 15.024 -11.030 -6.790 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.178 -10.003 -3.961 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.290 -8.687 -3.570 1.00 0.00 H new ATOM 0 HH21 ARG A 25 16.447 -9.336 -6.282 1.00 0.00 H new ATOM 0 HH22 ARG A 25 16.132 -8.311 -4.878 1.00 0.00 H new ATOM 417 N ARG A 26 10.860 -10.268 -9.564 1.00 0.00 N ATOM 418 CA ARG A 26 11.256 -9.160 -10.424 1.00 0.00 C ATOM 419 C ARG A 26 10.036 -8.372 -10.892 1.00 0.00 C ATOM 420 O ARG A 26 10.045 -7.142 -10.903 1.00 0.00 O ATOM 421 CB ARG A 26 12.036 -9.678 -11.634 1.00 0.00 C ATOM 422 CG ARG A 26 13.057 -8.687 -12.170 1.00 0.00 C ATOM 423 CD ARG A 26 14.213 -9.396 -12.859 1.00 0.00 C ATOM 424 NE ARG A 26 14.931 -10.284 -11.948 1.00 0.00 N ATOM 425 CZ ARG A 26 15.834 -9.862 -11.071 1.00 0.00 C ATOM 426 NH1 ARG A 26 16.128 -8.572 -10.985 1.00 0.00 N ATOM 427 NH2 ARG A 26 16.445 -10.731 -10.276 1.00 0.00 N ATOM 0 H ARG A 26 11.150 -11.187 -9.899 1.00 0.00 H new ATOM 0 HA ARG A 26 11.897 -8.495 -9.845 1.00 0.00 H new ATOM 0 HB2 ARG A 26 12.547 -10.600 -11.358 1.00 0.00 H new ATOM 0 HB3 ARG A 26 11.333 -9.928 -12.429 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.573 -8.009 -12.873 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.439 -8.077 -11.351 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.834 -9.972 -13.703 1.00 0.00 H new ATOM 0 HD3 ARG A 26 14.903 -8.656 -13.263 1.00 0.00 H new ATOM 0 HE ARG A 26 14.727 -11.283 -11.988 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.660 -7.901 -11.594 1.00 0.00 H new ATOM 0 HH12 ARG A 26 16.822 -8.251 -10.310 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.221 -11.724 -10.338 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.139 -10.406 -9.603 1.00 0.00 H new ATOM 441 N ALA A 27 8.987 -9.091 -11.279 1.00 0.00 N ATOM 442 CA ALA A 27 7.759 -8.460 -11.747 1.00 0.00 C ATOM 443 C ALA A 27 7.219 -7.477 -10.714 1.00 0.00 C ATOM 444 O ALA A 27 6.769 -6.383 -11.058 1.00 0.00 O ATOM 445 CB ALA A 27 6.713 -9.517 -12.071 1.00 0.00 C ATOM 0 H ALA A 27 8.963 -10.111 -11.278 1.00 0.00 H new ATOM 0 HA ALA A 27 7.989 -7.902 -12.655 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.801 -9.032 -12.419 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.093 -10.178 -12.850 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.495 -10.099 -11.176 1.00 0.00 H new ATOM 451 N LEU A 28 7.265 -7.873 -9.447 1.00 0.00 N ATOM 452 CA LEU A 28 6.780 -7.027 -8.362 1.00 0.00 C ATOM 453 C LEU A 28 7.349 -5.616 -8.476 1.00 0.00 C ATOM 454 O LEU A 28 6.665 -4.636 -8.184 1.00 0.00 O ATOM 455 CB LEU A 28 7.155 -7.633 -7.009 1.00 0.00 C ATOM 456 CG LEU A 28 6.185 -7.358 -5.859 1.00 0.00 C ATOM 457 CD1 LEU A 28 6.041 -8.589 -4.977 1.00 0.00 C ATOM 458 CD2 LEU A 28 6.653 -6.165 -5.039 1.00 0.00 C ATOM 0 H LEU A 28 7.633 -8.775 -9.145 1.00 0.00 H new ATOM 0 HA LEU A 28 5.694 -6.968 -8.438 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.247 -8.712 -7.130 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.139 -7.259 -6.726 1.00 0.00 H new ATOM 0 HG LEU A 28 5.209 -7.122 -6.282 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.347 -8.375 -4.164 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.659 -9.419 -5.571 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.013 -8.856 -4.563 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.950 -5.985 -4.225 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.640 -6.372 -4.626 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.704 -5.283 -5.677 1.00 0.00 H new ATOM 470 N GLU A 29 8.604 -5.523 -8.904 1.00 0.00 N ATOM 471 CA GLU A 29 9.264 -4.231 -9.057 1.00 0.00 C ATOM 472 C GLU A 29 9.075 -3.688 -10.471 1.00 0.00 C ATOM 473 O GLU A 29 8.662 -2.543 -10.658 1.00 0.00 O ATOM 474 CB GLU A 29 10.756 -4.355 -8.742 1.00 0.00 C ATOM 475 CG GLU A 29 11.048 -5.154 -7.483 1.00 0.00 C ATOM 476 CD GLU A 29 12.047 -4.465 -6.574 1.00 0.00 C ATOM 477 OE1 GLU A 29 11.943 -3.232 -6.406 1.00 0.00 O ATOM 478 OE2 GLU A 29 12.932 -5.159 -6.031 1.00 0.00 O ATOM 0 H GLU A 29 9.184 -6.325 -9.151 1.00 0.00 H new ATOM 0 HA GLU A 29 8.808 -3.533 -8.354 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.259 -4.827 -9.586 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.180 -3.357 -8.635 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.119 -5.318 -6.937 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.432 -6.136 -7.761 1.00 0.00 H new ATOM 485 N LEU A 30 9.380 -4.517 -11.462 1.00 0.00 N ATOM 486 CA LEU A 30 9.244 -4.122 -12.860 1.00 0.00 C ATOM 487 C LEU A 30 7.863 -3.534 -13.128 1.00 0.00 C ATOM 488 O LEU A 30 7.739 -2.408 -13.611 1.00 0.00 O ATOM 489 CB LEU A 30 9.487 -5.322 -13.776 1.00 0.00 C ATOM 490 CG LEU A 30 10.903 -5.900 -13.766 1.00 0.00 C ATOM 491 CD1 LEU A 30 11.016 -7.053 -14.751 1.00 0.00 C ATOM 492 CD2 LEU A 30 11.922 -4.818 -14.090 1.00 0.00 C ATOM 0 H LEU A 30 9.723 -5.468 -11.324 1.00 0.00 H new ATOM 0 HA LEU A 30 9.991 -3.356 -13.070 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.791 -6.113 -13.497 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.243 -5.029 -14.797 1.00 0.00 H new ATOM 0 HG LEU A 30 11.112 -6.281 -12.767 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.030 -7.451 -14.730 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.312 -7.838 -14.475 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.787 -6.697 -15.755 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.924 -5.247 -14.079 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.714 -4.407 -15.078 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.859 -4.024 -13.346 1.00 0.00 H new ATOM 504 N SER A 31 6.826 -4.302 -12.808 1.00 0.00 N ATOM 505 CA SER A 31 5.453 -3.858 -13.016 1.00 0.00 C ATOM 506 C SER A 31 5.207 -2.517 -12.332 1.00 0.00 C ATOM 507 O SER A 31 5.931 -2.113 -11.421 1.00 0.00 O ATOM 508 CB SER A 31 4.471 -4.903 -12.483 1.00 0.00 C ATOM 509 OG SER A 31 3.966 -4.528 -11.213 1.00 0.00 O ATOM 0 H SER A 31 6.911 -5.235 -12.404 1.00 0.00 H new ATOM 0 HA SER A 31 5.295 -3.734 -14.087 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.646 -5.022 -13.185 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.969 -5.870 -12.409 1.00 0.00 H new ATOM 0 HG SER A 31 3.001 -4.698 -11.181 1.00 0.00 H new ATOM 515 N PRO A 32 4.159 -1.808 -12.780 1.00 0.00 N ATOM 516 CA PRO A 32 3.792 -0.502 -12.225 1.00 0.00 C ATOM 517 C PRO A 32 3.238 -0.608 -10.808 1.00 0.00 C ATOM 518 O PRO A 32 3.658 0.122 -9.911 1.00 0.00 O ATOM 519 CB PRO A 32 2.710 -0.001 -13.186 1.00 0.00 C ATOM 520 CG PRO A 32 2.125 -1.237 -13.776 1.00 0.00 C ATOM 521 CD PRO A 32 3.253 -2.229 -13.862 1.00 0.00 C ATOM 0 HA PRO A 32 4.652 0.163 -12.144 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.954 0.583 -12.661 1.00 0.00 H new ATOM 0 HB3 PRO A 32 3.133 0.644 -13.957 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.315 -1.620 -13.155 1.00 0.00 H new ATOM 0 HG3 PRO A 32 1.705 -1.038 -14.762 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.902 -3.251 -13.718 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.745 -2.195 -14.834 1.00 0.00 H new ATOM 529 N TYR A 33 2.295 -1.523 -10.614 1.00 0.00 N ATOM 530 CA TYR A 33 1.683 -1.724 -9.306 1.00 0.00 C ATOM 531 C TYR A 33 2.131 -3.046 -8.691 1.00 0.00 C ATOM 532 O TYR A 33 2.191 -4.071 -9.371 1.00 0.00 O ATOM 533 CB TYR A 33 0.158 -1.694 -9.423 1.00 0.00 C ATOM 534 CG TYR A 33 -0.346 -0.824 -10.552 1.00 0.00 C ATOM 535 CD1 TYR A 33 -0.126 0.548 -10.548 1.00 0.00 C ATOM 536 CD2 TYR A 33 -1.043 -1.372 -11.622 1.00 0.00 C ATOM 537 CE1 TYR A 33 -0.586 1.348 -11.577 1.00 0.00 C ATOM 538 CE2 TYR A 33 -1.504 -0.581 -12.655 1.00 0.00 C ATOM 539 CZ TYR A 33 -1.273 0.779 -12.628 1.00 0.00 C ATOM 540 OH TYR A 33 -1.733 1.571 -13.655 1.00 0.00 O ATOM 0 H TYR A 33 1.938 -2.137 -11.346 1.00 0.00 H new ATOM 0 HA TYR A 33 2.007 -0.913 -8.654 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.207 -2.711 -9.568 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.263 -1.336 -8.484 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.413 0.997 -9.727 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.227 -2.436 -11.646 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -0.408 2.413 -11.558 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.042 -1.024 -13.480 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.195 1.014 -14.316 1.00 0.00 H new ATOM 550 N ASP A 34 2.445 -3.014 -7.401 1.00 0.00 N ATOM 551 CA ASP A 34 2.887 -4.210 -6.692 1.00 0.00 C ATOM 552 C ASP A 34 1.822 -5.301 -6.750 1.00 0.00 C ATOM 553 O ASP A 34 0.735 -5.093 -7.289 1.00 0.00 O ATOM 554 CB ASP A 34 3.212 -3.874 -5.236 1.00 0.00 C ATOM 555 CG ASP A 34 4.382 -2.918 -5.109 1.00 0.00 C ATOM 556 OD1 ASP A 34 5.539 -3.386 -5.151 1.00 0.00 O ATOM 557 OD2 ASP A 34 4.140 -1.701 -4.969 1.00 0.00 O ATOM 0 H ASP A 34 2.402 -2.174 -6.825 1.00 0.00 H new ATOM 0 HA ASP A 34 3.788 -4.581 -7.181 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.334 -3.434 -4.763 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.438 -4.793 -4.696 1.00 0.00 H new ATOM 562 N PHE A 35 2.143 -6.464 -6.193 1.00 0.00 N ATOM 563 CA PHE A 35 1.215 -7.589 -6.183 1.00 0.00 C ATOM 564 C PHE A 35 1.517 -8.533 -5.023 1.00 0.00 C ATOM 565 O PHE A 35 2.674 -8.724 -4.647 1.00 0.00 O ATOM 566 CB PHE A 35 1.290 -8.351 -7.508 1.00 0.00 C ATOM 567 CG PHE A 35 2.450 -9.302 -7.588 1.00 0.00 C ATOM 568 CD1 PHE A 35 2.362 -10.570 -7.038 1.00 0.00 C ATOM 569 CD2 PHE A 35 3.628 -8.927 -8.213 1.00 0.00 C ATOM 570 CE1 PHE A 35 3.427 -11.448 -7.110 1.00 0.00 C ATOM 571 CE2 PHE A 35 4.697 -9.801 -8.289 1.00 0.00 C ATOM 572 CZ PHE A 35 4.596 -11.063 -7.735 1.00 0.00 C ATOM 0 H PHE A 35 3.039 -6.652 -5.743 1.00 0.00 H new ATOM 0 HA PHE A 35 0.207 -7.195 -6.055 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.364 -8.908 -7.651 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.361 -7.635 -8.326 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.450 -10.876 -6.547 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.713 -7.941 -8.646 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.345 -12.434 -6.678 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.610 -9.498 -8.781 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.430 -11.747 -7.791 1.00 0.00 H new ATOM 582 N THR A 36 0.468 -9.121 -4.458 1.00 0.00 N ATOM 583 CA THR A 36 0.618 -10.044 -3.340 1.00 0.00 C ATOM 584 C THR A 36 0.422 -11.487 -3.788 1.00 0.00 C ATOM 585 O THR A 36 -0.451 -11.780 -4.606 1.00 0.00 O ATOM 586 CB THR A 36 -0.381 -9.727 -2.212 1.00 0.00 C ATOM 587 OG1 THR A 36 -0.210 -10.651 -1.132 1.00 0.00 O ATOM 588 CG2 THR A 36 -1.813 -9.796 -2.722 1.00 0.00 C ATOM 0 H THR A 36 -0.496 -8.974 -4.757 1.00 0.00 H new ATOM 0 HA THR A 36 1.633 -9.920 -2.961 1.00 0.00 H new ATOM 0 HB THR A 36 -0.186 -8.715 -1.858 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.075 -10.167 -0.329 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.501 -9.568 -1.907 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.949 -9.071 -3.525 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.017 -10.798 -3.100 1.00 0.00 H new ATOM 596 N ILE A 37 1.237 -12.386 -3.246 1.00 0.00 N ATOM 597 CA ILE A 37 1.150 -13.800 -3.590 1.00 0.00 C ATOM 598 C ILE A 37 0.004 -14.477 -2.845 1.00 0.00 C ATOM 599 O ILE A 37 -0.212 -14.230 -1.659 1.00 0.00 O ATOM 600 CB ILE A 37 2.463 -14.539 -3.269 1.00 0.00 C ATOM 601 CG1 ILE A 37 3.552 -14.147 -4.270 1.00 0.00 C ATOM 602 CG2 ILE A 37 2.241 -16.044 -3.282 1.00 0.00 C ATOM 603 CD1 ILE A 37 3.389 -14.798 -5.626 1.00 0.00 C ATOM 0 H ILE A 37 1.964 -12.161 -2.567 1.00 0.00 H new ATOM 0 HA ILE A 37 0.965 -13.853 -4.663 1.00 0.00 H new ATOM 0 HB ILE A 37 2.791 -14.249 -2.271 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.548 -13.064 -4.393 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.525 -14.418 -3.861 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.178 -16.552 -3.053 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.493 -16.308 -2.534 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.892 -16.352 -4.268 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.196 -14.475 -6.284 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.423 -15.882 -5.516 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.431 -14.507 -6.057 1.00 0.00 H new ATOM 615 N VAL A 38 -0.727 -15.335 -3.550 1.00 0.00 N ATOM 616 CA VAL A 38 -1.850 -16.051 -2.956 1.00 0.00 C ATOM 617 C VAL A 38 -1.519 -17.526 -2.760 1.00 0.00 C ATOM 618 O VAL A 38 -1.805 -18.102 -1.711 1.00 0.00 O ATOM 619 CB VAL A 38 -3.115 -15.931 -3.826 1.00 0.00 C ATOM 620 CG1 VAL A 38 -4.292 -16.622 -3.154 1.00 0.00 C ATOM 621 CG2 VAL A 38 -3.433 -14.470 -4.105 1.00 0.00 C ATOM 0 H VAL A 38 -0.562 -15.551 -4.533 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.041 -15.592 -1.986 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.928 -16.427 -4.779 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.177 -16.527 -3.783 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.061 -17.677 -3.010 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.483 -16.157 -2.187 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.330 -14.404 -4.721 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.601 -13.948 -3.163 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.597 -14.010 -4.631 1.00 0.00 H new ATOM 631 N GLN A 39 -0.915 -18.131 -3.778 1.00 0.00 N ATOM 632 CA GLN A 39 -0.545 -19.541 -3.717 1.00 0.00 C ATOM 633 C GLN A 39 0.645 -19.831 -4.625 1.00 0.00 C ATOM 634 O GLN A 39 0.768 -19.258 -5.707 1.00 0.00 O ATOM 635 CB GLN A 39 -1.732 -20.419 -4.116 1.00 0.00 C ATOM 636 CG GLN A 39 -1.696 -21.807 -3.498 1.00 0.00 C ATOM 637 CD GLN A 39 -3.008 -22.551 -3.657 1.00 0.00 C ATOM 638 OE1 GLN A 39 -3.201 -23.294 -4.619 1.00 0.00 O ATOM 639 NE2 GLN A 39 -3.919 -22.354 -2.711 1.00 0.00 N ATOM 0 H GLN A 39 -0.672 -17.668 -4.654 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.260 -19.772 -2.691 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -2.656 -19.922 -3.820 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -1.754 -20.514 -5.202 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -0.896 -22.386 -3.960 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -1.457 -21.723 -2.438 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -3.717 -21.729 -1.931 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.821 -22.828 -2.765 1.00 0.00 H new ATOM 648 N GLY A 40 1.522 -20.725 -4.177 1.00 0.00 N ATOM 649 CA GLY A 40 2.691 -21.075 -4.962 1.00 0.00 C ATOM 650 C GLY A 40 2.875 -22.574 -5.091 1.00 0.00 C ATOM 651 O GLY A 40 2.927 -23.107 -6.200 1.00 0.00 O ATOM 0 H GLY A 40 1.443 -21.213 -3.285 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.602 -20.636 -5.956 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.578 -20.642 -4.500 1.00 0.00 H new ATOM 655 N ILE A 41 2.976 -23.256 -3.955 1.00 0.00 N ATOM 656 CA ILE A 41 3.156 -24.702 -3.946 1.00 0.00 C ATOM 657 C ILE A 41 2.163 -25.375 -3.004 1.00 0.00 C ATOM 658 O ILE A 41 1.687 -24.762 -2.048 1.00 0.00 O ATOM 659 CB ILE A 41 4.587 -25.089 -3.526 1.00 0.00 C ATOM 660 CG1 ILE A 41 5.076 -26.286 -4.344 1.00 0.00 C ATOM 661 CG2 ILE A 41 4.636 -25.401 -2.038 1.00 0.00 C ATOM 662 CD1 ILE A 41 5.209 -25.995 -5.822 1.00 0.00 C ATOM 0 H ILE A 41 2.936 -22.830 -3.029 1.00 0.00 H new ATOM 0 HA ILE A 41 2.978 -25.047 -4.964 1.00 0.00 H new ATOM 0 HB ILE A 41 5.248 -24.245 -3.722 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.043 -26.609 -3.957 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.384 -27.117 -4.207 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.653 -25.673 -1.757 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.325 -24.523 -1.472 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.965 -26.231 -1.818 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.560 -26.888 -6.339 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.239 -25.701 -6.224 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.924 -25.186 -5.971 1.00 0.00 H new ATOM 674 N ARG A 42 1.856 -26.638 -3.280 1.00 0.00 N ATOM 675 CA ARG A 42 0.920 -27.394 -2.457 1.00 0.00 C ATOM 676 C ARG A 42 1.657 -28.176 -1.374 1.00 0.00 C ATOM 677 O ARG A 42 2.505 -29.020 -1.669 1.00 0.00 O ATOM 678 CB ARG A 42 0.103 -28.352 -3.326 1.00 0.00 C ATOM 679 CG ARG A 42 -1.085 -27.692 -4.008 1.00 0.00 C ATOM 680 CD ARG A 42 -2.292 -28.617 -4.041 1.00 0.00 C ATOM 681 NE ARG A 42 -3.275 -28.198 -5.037 1.00 0.00 N ATOM 682 CZ ARG A 42 -4.553 -28.559 -5.005 1.00 0.00 C ATOM 683 NH1 ARG A 42 -5.000 -29.342 -4.033 1.00 0.00 N ATOM 684 NH2 ARG A 42 -5.386 -28.137 -5.947 1.00 0.00 N ATOM 0 H ARG A 42 2.242 -27.159 -4.067 1.00 0.00 H new ATOM 0 HA ARG A 42 0.246 -26.686 -1.975 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.754 -28.784 -4.086 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.255 -29.175 -2.707 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.344 -26.773 -3.482 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.812 -27.411 -5.025 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -1.964 -29.633 -4.260 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.760 -28.638 -3.057 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.963 -27.595 -5.799 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.362 -29.669 -3.307 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.982 -29.618 -4.011 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.045 -27.535 -6.697 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.367 -28.415 -5.922 1.00 0.00 H new ATOM 1035 N HIS A 66 -0.359 -26.338 -9.543 1.00 0.00 N ATOM 1036 CA HIS A 66 0.452 -26.188 -8.340 1.00 0.00 C ATOM 1037 C HIS A 66 1.053 -27.526 -7.919 1.00 0.00 C ATOM 1038 O HIS A 66 2.112 -27.572 -7.293 1.00 0.00 O ATOM 1039 CB HIS A 66 -0.390 -25.613 -7.200 1.00 0.00 C ATOM 1040 CG HIS A 66 -0.739 -24.168 -7.383 1.00 0.00 C ATOM 1041 ND1 HIS A 66 -0.138 -23.152 -6.670 1.00 0.00 N ATOM 1042 CD2 HIS A 66 -1.632 -23.570 -8.206 1.00 0.00 C ATOM 1043 CE1 HIS A 66 -0.647 -21.993 -7.045 1.00 0.00 C ATOM 1044 NE2 HIS A 66 -1.556 -22.218 -7.977 1.00 0.00 N ATOM 0 HA HIS A 66 1.266 -25.499 -8.564 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -1.309 -26.192 -7.111 1.00 0.00 H new ATOM 0 HB3 HIS A 66 0.153 -25.731 -6.263 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -2.283 -24.064 -8.912 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -0.368 -21.025 -6.656 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -2.111 -21.504 -8.449 1.00 0.00 H new ATOM 1052 N ILE A 67 0.370 -28.611 -8.267 1.00 0.00 N ATOM 1053 CA ILE A 67 0.837 -29.949 -7.925 1.00 0.00 C ATOM 1054 C ILE A 67 2.250 -30.187 -8.446 1.00 0.00 C ATOM 1055 O ILE A 67 3.115 -30.682 -7.723 1.00 0.00 O ATOM 1056 CB ILE A 67 -0.098 -31.033 -8.494 1.00 0.00 C ATOM 1057 CG1 ILE A 67 -1.560 -30.670 -8.225 1.00 0.00 C ATOM 1058 CG2 ILE A 67 0.236 -32.390 -7.890 1.00 0.00 C ATOM 1059 CD1 ILE A 67 -1.819 -30.221 -6.804 1.00 0.00 C ATOM 0 H ILE A 67 -0.508 -28.590 -8.785 1.00 0.00 H new ATOM 0 HA ILE A 67 0.838 -30.016 -6.837 1.00 0.00 H new ATOM 0 HB ILE A 67 0.050 -31.090 -9.572 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.861 -29.876 -8.909 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.187 -31.534 -8.444 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.433 -33.146 -8.301 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.268 -32.650 -8.128 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.113 -32.347 -6.808 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.875 -29.980 -6.685 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.550 -31.021 -6.115 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.219 -29.338 -6.586 1.00 0.00 H new ATOM 1071 N THR A 68 2.478 -29.831 -9.706 1.00 0.00 N ATOM 1072 CA THR A 68 3.787 -30.005 -10.324 1.00 0.00 C ATOM 1073 C THR A 68 4.705 -28.831 -10.008 1.00 0.00 C ATOM 1074 O THR A 68 5.862 -28.804 -10.425 1.00 0.00 O ATOM 1075 CB THR A 68 3.670 -30.154 -11.853 1.00 0.00 C ATOM 1076 OG1 THR A 68 4.974 -30.149 -12.446 1.00 0.00 O ATOM 1077 CG2 THR A 68 2.835 -29.028 -12.444 1.00 0.00 C ATOM 0 H THR A 68 1.773 -29.420 -10.319 1.00 0.00 H new ATOM 0 HA THR A 68 4.214 -30.918 -9.909 1.00 0.00 H new ATOM 0 HB THR A 68 3.177 -31.102 -12.067 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.650 -30.012 -11.749 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.766 -29.154 -13.524 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.835 -29.051 -12.012 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.305 -28.070 -12.220 1.00 0.00 H new ATOM 1085 N GLY A 69 4.182 -27.859 -9.266 1.00 0.00 N ATOM 1086 CA GLY A 69 4.970 -26.695 -8.905 1.00 0.00 C ATOM 1087 C GLY A 69 5.449 -25.921 -10.117 1.00 0.00 C ATOM 1088 O GLY A 69 6.485 -25.257 -10.069 1.00 0.00 O ATOM 0 H GLY A 69 3.227 -27.857 -8.909 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.374 -26.039 -8.271 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.831 -27.011 -8.316 1.00 0.00 H new ATOM 1092 N ASP A 70 4.697 -26.008 -11.209 1.00 0.00 N ATOM 1093 CA ASP A 70 5.051 -25.312 -12.440 1.00 0.00 C ATOM 1094 C ASP A 70 4.114 -24.133 -12.686 1.00 0.00 C ATOM 1095 O ASP A 70 3.966 -23.672 -13.817 1.00 0.00 O ATOM 1096 CB ASP A 70 5.004 -26.274 -13.627 1.00 0.00 C ATOM 1097 CG ASP A 70 3.610 -26.407 -14.209 1.00 0.00 C ATOM 1098 OD1 ASP A 70 2.634 -26.337 -13.434 1.00 0.00 O ATOM 1099 OD2 ASP A 70 3.496 -26.581 -15.441 1.00 0.00 O ATOM 0 H ASP A 70 3.838 -26.554 -11.266 1.00 0.00 H new ATOM 0 HA ASP A 70 6.066 -24.930 -12.333 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.686 -25.924 -14.402 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.358 -27.255 -13.310 1.00 0.00 H new ATOM 1104 N ALA A 71 3.483 -23.652 -11.620 1.00 0.00 N ATOM 1105 CA ALA A 71 2.561 -22.528 -11.720 1.00 0.00 C ATOM 1106 C ALA A 71 2.281 -21.923 -10.349 1.00 0.00 C ATOM 1107 O ALA A 71 2.473 -22.575 -9.322 1.00 0.00 O ATOM 1108 CB ALA A 71 1.263 -22.967 -12.381 1.00 0.00 C ATOM 0 H ALA A 71 3.594 -24.024 -10.677 1.00 0.00 H new ATOM 0 HA ALA A 71 3.029 -21.761 -12.337 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.584 -22.117 -12.449 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.474 -23.344 -13.382 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.800 -23.755 -11.786 1.00 0.00 H new ATOM 1114 N ILE A 72 1.828 -20.674 -10.339 1.00 0.00 N ATOM 1115 CA ILE A 72 1.522 -19.983 -9.093 1.00 0.00 C ATOM 1116 C ILE A 72 0.416 -18.952 -9.294 1.00 0.00 C ATOM 1117 O ILE A 72 0.134 -18.540 -10.419 1.00 0.00 O ATOM 1118 CB ILE A 72 2.766 -19.279 -8.520 1.00 0.00 C ATOM 1119 CG1 ILE A 72 3.284 -18.229 -9.505 1.00 0.00 C ATOM 1120 CG2 ILE A 72 3.851 -20.296 -8.202 1.00 0.00 C ATOM 1121 CD1 ILE A 72 2.678 -16.858 -9.302 1.00 0.00 C ATOM 0 H ILE A 72 1.665 -20.120 -11.180 1.00 0.00 H new ATOM 0 HA ILE A 72 1.185 -20.741 -8.386 1.00 0.00 H new ATOM 0 HB ILE A 72 2.486 -18.775 -7.595 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.367 -18.156 -9.409 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.076 -18.562 -10.522 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.724 -19.783 -7.798 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.477 -21.009 -7.467 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.131 -20.826 -9.112 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.091 -16.165 -10.035 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.597 -16.916 -9.427 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.909 -16.503 -8.297 1.00 0.00 H new ATOM 1133 N ASP A 73 -0.207 -18.540 -8.195 1.00 0.00 N ATOM 1134 CA ASP A 73 -1.281 -17.555 -8.250 1.00 0.00 C ATOM 1135 C ASP A 73 -0.911 -16.303 -7.459 1.00 0.00 C ATOM 1136 O ASP A 73 -0.327 -16.389 -6.379 1.00 0.00 O ATOM 1137 CB ASP A 73 -2.578 -18.153 -7.703 1.00 0.00 C ATOM 1138 CG ASP A 73 -3.808 -17.416 -8.197 1.00 0.00 C ATOM 1139 OD1 ASP A 73 -3.995 -16.246 -7.804 1.00 0.00 O ATOM 1140 OD2 ASP A 73 -4.584 -18.010 -8.975 1.00 0.00 O ATOM 0 H ASP A 73 0.013 -18.873 -7.256 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.430 -17.274 -9.293 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.644 -19.201 -7.996 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.556 -18.127 -6.614 1.00 0.00 H new ATOM 1145 N PHE A 74 -1.254 -15.142 -8.006 1.00 0.00 N ATOM 1146 CA PHE A 74 -0.956 -13.872 -7.354 1.00 0.00 C ATOM 1147 C PHE A 74 -2.129 -12.905 -7.485 1.00 0.00 C ATOM 1148 O PHE A 74 -3.118 -13.199 -8.155 1.00 0.00 O ATOM 1149 CB PHE A 74 0.304 -13.248 -7.956 1.00 0.00 C ATOM 1150 CG PHE A 74 0.058 -12.539 -9.258 1.00 0.00 C ATOM 1151 CD1 PHE A 74 -0.287 -11.197 -9.276 1.00 0.00 C ATOM 1152 CD2 PHE A 74 0.172 -13.214 -10.462 1.00 0.00 C ATOM 1153 CE1 PHE A 74 -0.513 -10.541 -10.472 1.00 0.00 C ATOM 1154 CE2 PHE A 74 -0.053 -12.564 -11.661 1.00 0.00 C ATOM 1155 CZ PHE A 74 -0.397 -11.226 -11.665 1.00 0.00 C ATOM 0 H PHE A 74 -1.739 -15.054 -8.899 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.785 -14.067 -6.295 1.00 0.00 H new ATOM 0 HB2 PHE A 74 0.727 -12.542 -7.241 1.00 0.00 H new ATOM 0 HB3 PHE A 74 1.048 -14.029 -8.112 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -0.380 -10.657 -8.345 1.00 0.00 H new ATOM 0 HD2 PHE A 74 0.440 -14.260 -10.464 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -0.780 -9.494 -10.473 1.00 0.00 H new ATOM 0 HE2 PHE A 74 0.040 -13.101 -12.593 1.00 0.00 H new ATOM 0 HZ PHE A 74 -0.575 -10.716 -12.600 1.00 0.00 H new ATOM 1165 N ALA A 75 -2.010 -11.749 -6.839 1.00 0.00 N ATOM 1166 CA ALA A 75 -3.059 -10.738 -6.884 1.00 0.00 C ATOM 1167 C ALA A 75 -2.472 -9.348 -7.101 1.00 0.00 C ATOM 1168 O ALA A 75 -1.495 -8.953 -6.464 1.00 0.00 O ATOM 1169 CB ALA A 75 -3.880 -10.772 -5.603 1.00 0.00 C ATOM 0 H ALA A 75 -1.198 -11.490 -6.279 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.712 -10.964 -7.727 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.660 -10.012 -5.650 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.338 -11.755 -5.490 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.231 -10.574 -4.750 1.00 0.00 H new ATOM 1175 N PRO A 76 -3.078 -8.586 -8.024 1.00 0.00 N ATOM 1176 CA PRO A 76 -2.632 -7.227 -8.347 1.00 0.00 C ATOM 1177 C PRO A 76 -2.903 -6.243 -7.214 1.00 0.00 C ATOM 1178 O PRO A 76 -4.055 -5.980 -6.870 1.00 0.00 O ATOM 1179 CB PRO A 76 -3.463 -6.865 -9.580 1.00 0.00 C ATOM 1180 CG PRO A 76 -4.685 -7.710 -9.475 1.00 0.00 C ATOM 1181 CD PRO A 76 -4.248 -8.992 -8.822 1.00 0.00 C ATOM 0 HA PRO A 76 -1.556 -7.180 -8.512 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.715 -5.805 -9.590 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -2.917 -7.072 -10.500 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.453 -7.213 -8.883 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.114 -7.900 -10.459 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.035 -9.413 -8.196 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.988 -9.751 -9.560 1.00 0.00 H new ATOM 1189 N TYR A 77 -1.835 -5.703 -6.638 1.00 0.00 N ATOM 1190 CA TYR A 77 -1.958 -4.749 -5.542 1.00 0.00 C ATOM 1191 C TYR A 77 -1.966 -3.316 -6.065 1.00 0.00 C ATOM 1192 O TYR A 77 -1.119 -2.934 -6.873 1.00 0.00 O ATOM 1193 CB TYR A 77 -0.811 -4.934 -4.546 1.00 0.00 C ATOM 1194 CG TYR A 77 -1.272 -5.100 -3.116 1.00 0.00 C ATOM 1195 CD1 TYR A 77 -1.656 -6.344 -2.629 1.00 0.00 C ATOM 1196 CD2 TYR A 77 -1.325 -4.014 -2.252 1.00 0.00 C ATOM 1197 CE1 TYR A 77 -2.078 -6.500 -1.323 1.00 0.00 C ATOM 1198 CE2 TYR A 77 -1.745 -4.161 -0.944 1.00 0.00 C ATOM 1199 CZ TYR A 77 -2.120 -5.406 -0.484 1.00 0.00 C ATOM 1200 OH TYR A 77 -2.541 -5.557 0.817 1.00 0.00 O ATOM 0 H TYR A 77 -0.874 -5.909 -6.912 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.905 -4.937 -5.035 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.228 -5.808 -4.835 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.146 -4.073 -4.607 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.624 -7.203 -3.283 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.033 -3.037 -2.609 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -2.374 -7.474 -0.961 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -1.779 -3.306 -0.285 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.305 -6.453 1.135 1.00 0.00 H new ATOM 1210 N ILE A 78 -2.929 -2.528 -5.598 1.00 0.00 N ATOM 1211 CA ILE A 78 -3.047 -1.137 -6.017 1.00 0.00 C ATOM 1212 C ILE A 78 -3.605 -0.271 -4.893 1.00 0.00 C ATOM 1213 O ILE A 78 -4.503 -0.687 -4.162 1.00 0.00 O ATOM 1214 CB ILE A 78 -3.952 -0.997 -7.256 1.00 0.00 C ATOM 1215 CG1 ILE A 78 -3.281 -1.626 -8.478 1.00 0.00 C ATOM 1216 CG2 ILE A 78 -4.272 0.467 -7.515 1.00 0.00 C ATOM 1217 CD1 ILE A 78 -3.655 -3.075 -8.695 1.00 0.00 C ATOM 0 H ILE A 78 -3.638 -2.829 -4.930 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.043 -0.797 -6.271 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.887 -1.525 -7.067 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.551 -1.053 -9.365 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.199 -1.551 -8.367 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.912 0.550 -8.393 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.787 0.885 -6.650 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.347 1.017 -7.687 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.142 -3.455 -9.579 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.360 -3.661 -7.825 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.733 -3.155 -8.838 1.00 0.00 H new ATOM 1229 N ASN A 79 -3.068 0.938 -4.763 1.00 0.00 N ATOM 1230 CA ASN A 79 -3.514 1.865 -3.729 1.00 0.00 C ATOM 1231 C ASN A 79 -3.320 1.265 -2.340 1.00 0.00 C ATOM 1232 O ASN A 79 -4.102 1.523 -1.426 1.00 0.00 O ATOM 1233 CB ASN A 79 -4.985 2.228 -3.940 1.00 0.00 C ATOM 1234 CG ASN A 79 -5.343 3.568 -3.326 1.00 0.00 C ATOM 1235 OD1 ASN A 79 -4.520 4.201 -2.665 1.00 0.00 O ATOM 1236 ND2 ASN A 79 -6.578 4.007 -3.543 1.00 0.00 N ATOM 0 H ASN A 79 -2.324 1.298 -5.360 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.910 2.769 -3.802 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -5.201 2.251 -5.008 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.614 1.452 -3.504 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.877 4.902 -3.155 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -7.228 3.449 -4.097 1.00 0.00 H new ATOM 1243 N GLY A 80 -2.272 0.461 -2.190 1.00 0.00 N ATOM 1244 CA GLY A 80 -1.994 -0.164 -0.910 1.00 0.00 C ATOM 1245 C GLY A 80 -3.056 -1.170 -0.513 1.00 0.00 C ATOM 1246 O GLY A 80 -3.180 -1.523 0.660 1.00 0.00 O ATOM 0 H GLY A 80 -1.611 0.231 -2.932 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -1.025 -0.662 -0.955 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.922 0.606 -0.142 1.00 0.00 H new ATOM 1250 N LYS A 81 -3.826 -1.632 -1.492 1.00 0.00 N ATOM 1251 CA LYS A 81 -4.884 -2.604 -1.240 1.00 0.00 C ATOM 1252 C LYS A 81 -5.070 -3.528 -2.439 1.00 0.00 C ATOM 1253 O LYS A 81 -4.710 -3.180 -3.564 1.00 0.00 O ATOM 1254 CB LYS A 81 -6.199 -1.887 -0.926 1.00 0.00 C ATOM 1255 CG LYS A 81 -6.627 -0.903 -2.001 1.00 0.00 C ATOM 1256 CD LYS A 81 -8.123 -0.643 -1.954 1.00 0.00 C ATOM 1257 CE LYS A 81 -8.869 -1.492 -2.973 1.00 0.00 C ATOM 1258 NZ LYS A 81 -9.394 -0.672 -4.100 1.00 0.00 N ATOM 0 H LYS A 81 -3.737 -1.349 -2.468 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.592 -3.207 -0.380 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.985 -2.630 -0.792 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.097 -1.356 0.021 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.089 0.036 -1.871 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.355 -1.293 -2.982 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -8.500 -0.858 -0.954 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -8.316 0.412 -2.147 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.202 -2.261 -3.363 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -9.695 -2.006 -2.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -10.426 -0.787 -4.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -9.166 0.329 -3.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -8.957 -0.985 -4.990 1.00 0.00 H new ATOM 1272 N ILE A 82 -5.635 -4.705 -2.191 1.00 0.00 N ATOM 1273 CA ILE A 82 -5.872 -5.677 -3.251 1.00 0.00 C ATOM 1274 C ILE A 82 -6.915 -5.169 -4.240 1.00 0.00 C ATOM 1275 O ILE A 82 -7.993 -4.722 -3.847 1.00 0.00 O ATOM 1276 CB ILE A 82 -6.337 -7.030 -2.681 1.00 0.00 C ATOM 1277 CG1 ILE A 82 -5.474 -7.426 -1.481 1.00 0.00 C ATOM 1278 CG2 ILE A 82 -6.284 -8.104 -3.757 1.00 0.00 C ATOM 1279 CD1 ILE A 82 -6.210 -7.363 -0.161 1.00 0.00 C ATOM 0 H ILE A 82 -5.937 -5.008 -1.265 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.923 -5.817 -3.768 1.00 0.00 H new ATOM 0 HB ILE A 82 -7.369 -6.931 -2.345 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.100 -8.439 -1.631 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.606 -6.769 -1.435 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -6.615 -9.055 -3.339 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.937 -7.824 -4.583 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -5.261 -8.205 -4.121 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.537 -7.657 0.645 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.561 -6.346 0.012 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -7.063 -8.041 -0.187 1.00 0.00 H new ATOM 1291 N ASP A 83 -6.588 -5.241 -5.526 1.00 0.00 N ATOM 1292 CA ASP A 83 -7.499 -4.791 -6.573 1.00 0.00 C ATOM 1293 C ASP A 83 -8.061 -5.977 -7.350 1.00 0.00 C ATOM 1294 O ASP A 83 -7.514 -6.372 -8.380 1.00 0.00 O ATOM 1295 CB ASP A 83 -6.781 -3.834 -7.526 1.00 0.00 C ATOM 1296 CG ASP A 83 -7.189 -2.390 -7.313 1.00 0.00 C ATOM 1297 OD1 ASP A 83 -7.715 -2.076 -6.225 1.00 0.00 O ATOM 1298 OD2 ASP A 83 -6.980 -1.573 -8.234 1.00 0.00 O ATOM 0 H ASP A 83 -5.699 -5.606 -5.868 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.328 -4.265 -6.099 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -5.704 -3.928 -7.388 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -6.996 -4.121 -8.555 1.00 0.00 H new ATOM 1303 N TRP A 84 -9.155 -6.540 -6.850 1.00 0.00 N ATOM 1304 CA TRP A 84 -9.790 -7.682 -7.497 1.00 0.00 C ATOM 1305 C TRP A 84 -10.898 -7.226 -8.441 1.00 0.00 C ATOM 1306 O TRP A 84 -11.327 -7.975 -9.317 1.00 0.00 O ATOM 1307 CB TRP A 84 -10.360 -8.638 -6.447 1.00 0.00 C ATOM 1308 CG TRP A 84 -9.365 -9.650 -5.964 1.00 0.00 C ATOM 1309 CD1 TRP A 84 -8.869 -9.772 -4.698 1.00 0.00 C ATOM 1310 CD2 TRP A 84 -8.745 -10.680 -6.741 1.00 0.00 C ATOM 1311 NE1 TRP A 84 -7.978 -10.816 -4.640 1.00 0.00 N ATOM 1312 CE2 TRP A 84 -7.885 -11.390 -5.880 1.00 0.00 C ATOM 1313 CE3 TRP A 84 -8.833 -11.074 -8.079 1.00 0.00 C ATOM 1314 CZ2 TRP A 84 -7.119 -12.468 -6.316 1.00 0.00 C ATOM 1315 CZ3 TRP A 84 -8.073 -12.144 -8.510 1.00 0.00 C ATOM 1316 CH2 TRP A 84 -7.226 -12.832 -7.631 1.00 0.00 C ATOM 0 H TRP A 84 -9.621 -6.224 -5.999 1.00 0.00 H new ATOM 0 HA TRP A 84 -9.032 -8.204 -8.081 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -10.721 -8.059 -5.597 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -11.221 -9.157 -6.868 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -9.138 -9.140 -3.864 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -7.468 -11.115 -3.809 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -9.484 -10.551 -8.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -6.464 -12.998 -5.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -8.133 -12.456 -9.542 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -6.646 -13.666 -7.998 1.00 0.00 H new ATOM 1327 N ASN A 85 -11.356 -5.992 -8.256 1.00 0.00 N ATOM 1328 CA ASN A 85 -12.414 -5.436 -9.092 1.00 0.00 C ATOM 1329 C ASN A 85 -11.834 -4.536 -10.178 1.00 0.00 C ATOM 1330 O ASN A 85 -12.442 -4.346 -11.231 1.00 0.00 O ATOM 1331 CB ASN A 85 -13.407 -4.647 -8.236 1.00 0.00 C ATOM 1332 CG ASN A 85 -12.715 -3.739 -7.237 1.00 0.00 C ATOM 1333 OD1 ASN A 85 -12.358 -4.164 -6.138 1.00 0.00 O ATOM 1334 ND2 ASN A 85 -12.523 -2.481 -7.616 1.00 0.00 N ATOM 0 H ASN A 85 -11.011 -5.358 -7.535 1.00 0.00 H new ATOM 0 HA ASN A 85 -12.936 -6.264 -9.572 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -14.046 -4.048 -8.885 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -14.055 -5.342 -7.703 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -12.063 -1.823 -6.987 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -12.835 -2.172 -8.537 1.00 0.00 H new ATOM 1341 N ASP A 86 -10.654 -3.985 -9.914 1.00 0.00 N ATOM 1342 CA ASP A 86 -9.990 -3.106 -10.869 1.00 0.00 C ATOM 1343 C ASP A 86 -9.156 -3.912 -11.861 1.00 0.00 C ATOM 1344 O ASP A 86 -7.926 -3.865 -11.836 1.00 0.00 O ATOM 1345 CB ASP A 86 -9.101 -2.100 -10.136 1.00 0.00 C ATOM 1346 CG ASP A 86 -8.916 -0.814 -10.917 1.00 0.00 C ATOM 1347 OD1 ASP A 86 -8.185 -0.834 -11.929 1.00 0.00 O ATOM 1348 OD2 ASP A 86 -9.504 0.212 -10.517 1.00 0.00 O ATOM 0 H ASP A 86 -10.138 -4.132 -9.047 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.758 -2.565 -11.422 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.540 -1.872 -9.165 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.127 -2.551 -9.947 1.00 0.00 H new ATOM 1353 N LEU A 87 -9.834 -4.651 -12.732 1.00 0.00 N ATOM 1354 CA LEU A 87 -9.156 -5.469 -13.732 1.00 0.00 C ATOM 1355 C LEU A 87 -8.259 -4.611 -14.619 1.00 0.00 C ATOM 1356 O LEU A 87 -7.316 -5.111 -15.231 1.00 0.00 O ATOM 1357 CB LEU A 87 -10.181 -6.213 -14.591 1.00 0.00 C ATOM 1358 CG LEU A 87 -10.675 -7.550 -14.038 1.00 0.00 C ATOM 1359 CD1 LEU A 87 -9.631 -8.635 -14.254 1.00 0.00 C ATOM 1360 CD2 LEU A 87 -11.018 -7.423 -12.561 1.00 0.00 C ATOM 0 H LEU A 87 -10.852 -4.701 -12.766 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.533 -6.195 -13.210 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -11.043 -5.562 -14.738 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.743 -6.388 -15.574 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.580 -7.832 -14.577 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -10.000 -9.580 -13.854 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.435 -8.744 -15.321 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -8.709 -8.360 -13.742 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -11.368 -8.384 -12.185 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -10.131 -7.117 -12.006 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -11.801 -6.676 -12.432 1.00 0.00 H new ATOM 1372 N GLU A 88 -8.559 -3.318 -14.682 1.00 0.00 N ATOM 1373 CA GLU A 88 -7.778 -2.391 -15.493 1.00 0.00 C ATOM 1374 C GLU A 88 -6.291 -2.506 -15.171 1.00 0.00 C ATOM 1375 O GLU A 88 -5.467 -2.717 -16.060 1.00 0.00 O ATOM 1376 CB GLU A 88 -8.252 -0.954 -15.264 1.00 0.00 C ATOM 1377 CG GLU A 88 -7.714 0.033 -16.286 1.00 0.00 C ATOM 1378 CD GLU A 88 -7.962 1.476 -15.889 1.00 0.00 C ATOM 1379 OE1 GLU A 88 -9.081 1.974 -16.130 1.00 0.00 O ATOM 1380 OE2 GLU A 88 -7.036 2.106 -15.337 1.00 0.00 O ATOM 0 H GLU A 88 -9.337 -2.888 -14.181 1.00 0.00 H new ATOM 0 HA GLU A 88 -7.926 -2.652 -16.541 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.342 -0.931 -15.288 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.948 -0.634 -14.267 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.643 -0.127 -16.411 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.180 -0.160 -17.252 1.00 0.00 H new ATOM 1387 N ALA A 89 -5.956 -2.365 -13.892 1.00 0.00 N ATOM 1388 CA ALA A 89 -4.570 -2.454 -13.451 1.00 0.00 C ATOM 1389 C ALA A 89 -4.005 -3.850 -13.694 1.00 0.00 C ATOM 1390 O ALA A 89 -2.815 -4.010 -13.966 1.00 0.00 O ATOM 1391 CB ALA A 89 -4.460 -2.087 -11.979 1.00 0.00 C ATOM 0 H ALA A 89 -6.626 -2.189 -13.144 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.982 -1.746 -14.035 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.419 -2.158 -11.663 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.816 -1.067 -11.831 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.066 -2.772 -11.387 1.00 0.00 H new ATOM 1397 N PHE A 90 -4.866 -4.857 -13.595 1.00 0.00 N ATOM 1398 CA PHE A 90 -4.452 -6.240 -13.802 1.00 0.00 C ATOM 1399 C PHE A 90 -3.712 -6.393 -15.127 1.00 0.00 C ATOM 1400 O PHE A 90 -2.834 -7.245 -15.265 1.00 0.00 O ATOM 1401 CB PHE A 90 -5.669 -7.168 -13.774 1.00 0.00 C ATOM 1402 CG PHE A 90 -5.312 -8.620 -13.625 1.00 0.00 C ATOM 1403 CD1 PHE A 90 -4.364 -9.022 -12.698 1.00 0.00 C ATOM 1404 CD2 PHE A 90 -5.923 -9.581 -14.413 1.00 0.00 C ATOM 1405 CE1 PHE A 90 -4.034 -10.357 -12.558 1.00 0.00 C ATOM 1406 CE2 PHE A 90 -5.597 -10.917 -14.278 1.00 0.00 C ATOM 1407 CZ PHE A 90 -4.650 -11.306 -13.350 1.00 0.00 C ATOM 0 H PHE A 90 -5.855 -4.742 -13.373 1.00 0.00 H new ATOM 0 HA PHE A 90 -3.775 -6.516 -12.994 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -6.320 -6.876 -12.950 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -6.239 -7.035 -14.693 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.877 -8.284 -12.078 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.663 -9.283 -15.141 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -3.295 -10.658 -11.830 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -6.082 -11.657 -14.897 1.00 0.00 H new ATOM 0 HZ PHE A 90 -4.392 -12.349 -13.244 1.00 0.00 H new ATOM 1417 N TRP A 91 -4.074 -5.563 -16.099 1.00 0.00 N ATOM 1418 CA TRP A 91 -3.444 -5.606 -17.414 1.00 0.00 C ATOM 1419 C TRP A 91 -2.004 -5.112 -17.345 1.00 0.00 C ATOM 1420 O TRP A 91 -1.101 -5.720 -17.920 1.00 0.00 O ATOM 1421 CB TRP A 91 -4.239 -4.761 -18.410 1.00 0.00 C ATOM 1422 CG TRP A 91 -3.968 -5.116 -19.841 1.00 0.00 C ATOM 1423 CD1 TRP A 91 -3.609 -6.341 -20.327 1.00 0.00 C ATOM 1424 CD2 TRP A 91 -4.031 -4.237 -20.969 1.00 0.00 C ATOM 1425 NE1 TRP A 91 -3.445 -6.276 -21.690 1.00 0.00 N ATOM 1426 CE2 TRP A 91 -3.699 -4.997 -22.108 1.00 0.00 C ATOM 1427 CE3 TRP A 91 -4.337 -2.883 -21.129 1.00 0.00 C ATOM 1428 CZ2 TRP A 91 -3.665 -4.445 -23.386 1.00 0.00 C ATOM 1429 CZ3 TRP A 91 -4.302 -2.337 -22.398 1.00 0.00 C ATOM 1430 CH2 TRP A 91 -3.969 -3.117 -23.513 1.00 0.00 C ATOM 0 H TRP A 91 -4.800 -4.853 -16.002 1.00 0.00 H new ATOM 0 HA TRP A 91 -3.436 -6.642 -17.752 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -5.304 -4.881 -18.209 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -4.002 -3.709 -18.253 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -3.474 -7.230 -19.728 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -3.177 -7.054 -22.293 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -4.596 -2.274 -20.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -3.408 -5.044 -24.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -4.535 -1.291 -22.532 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -3.952 -2.661 -24.492 1.00 0.00 H new ATOM 1441 N ALA A 92 -1.795 -4.007 -16.638 1.00 0.00 N ATOM 1442 CA ALA A 92 -0.463 -3.433 -16.492 1.00 0.00 C ATOM 1443 C ALA A 92 0.410 -4.296 -15.588 1.00 0.00 C ATOM 1444 O ALA A 92 1.635 -4.307 -15.717 1.00 0.00 O ATOM 1445 CB ALA A 92 -0.556 -2.017 -15.944 1.00 0.00 C ATOM 0 H ALA A 92 -2.532 -3.491 -16.157 1.00 0.00 H new ATOM 0 HA ALA A 92 0.002 -3.400 -17.477 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.446 -1.601 -15.840 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.136 -1.399 -16.629 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.044 -2.035 -14.970 1.00 0.00 H new ATOM 1451 N VAL A 93 -0.227 -5.019 -14.672 1.00 0.00 N ATOM 1452 CA VAL A 93 0.493 -5.886 -13.747 1.00 0.00 C ATOM 1453 C VAL A 93 0.899 -7.192 -14.420 1.00 0.00 C ATOM 1454 O VAL A 93 2.066 -7.583 -14.388 1.00 0.00 O ATOM 1455 CB VAL A 93 -0.356 -6.205 -12.502 1.00 0.00 C ATOM 1456 CG1 VAL A 93 0.281 -7.325 -11.693 1.00 0.00 C ATOM 1457 CG2 VAL A 93 -0.541 -4.959 -11.649 1.00 0.00 C ATOM 0 H VAL A 93 -1.240 -5.021 -14.551 1.00 0.00 H new ATOM 0 HA VAL A 93 1.389 -5.346 -13.439 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.339 -6.541 -12.831 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.333 -7.536 -10.818 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.356 -8.221 -12.309 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.277 -7.021 -11.372 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.143 -5.203 -10.774 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.433 -4.590 -11.328 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.046 -4.190 -12.233 1.00 0.00 H new ATOM 1467 N LYS A 94 -0.072 -7.864 -15.030 1.00 0.00 N ATOM 1468 CA LYS A 94 0.183 -9.126 -15.713 1.00 0.00 C ATOM 1469 C LYS A 94 1.163 -8.932 -16.867 1.00 0.00 C ATOM 1470 O LYS A 94 2.018 -9.781 -17.118 1.00 0.00 O ATOM 1471 CB LYS A 94 -1.126 -9.720 -16.237 1.00 0.00 C ATOM 1472 CG LYS A 94 -0.933 -10.957 -17.096 1.00 0.00 C ATOM 1473 CD LYS A 94 -2.250 -11.445 -17.676 1.00 0.00 C ATOM 1474 CE LYS A 94 -2.615 -10.688 -18.944 1.00 0.00 C ATOM 1475 NZ LYS A 94 -2.257 -11.454 -20.170 1.00 0.00 N ATOM 0 H LYS A 94 -1.043 -7.555 -15.065 1.00 0.00 H new ATOM 0 HA LYS A 94 0.626 -9.816 -14.995 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.765 -9.972 -15.391 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.651 -8.963 -16.819 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.238 -10.734 -17.906 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.482 -11.749 -16.498 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.180 -12.511 -17.895 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -3.042 -11.322 -16.937 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.685 -10.478 -18.946 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -2.101 -9.727 -18.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -2.522 -10.904 -21.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -1.233 -11.633 -20.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.767 -12.361 -20.174 1.00 0.00 H new ATOM 1489 N LYS A 95 1.033 -7.809 -17.564 1.00 0.00 N ATOM 1490 CA LYS A 95 1.908 -7.501 -18.689 1.00 0.00 C ATOM 1491 C LYS A 95 3.374 -7.576 -18.275 1.00 0.00 C ATOM 1492 O LYS A 95 4.246 -7.863 -19.094 1.00 0.00 O ATOM 1493 CB LYS A 95 1.594 -6.108 -19.240 1.00 0.00 C ATOM 1494 CG LYS A 95 2.394 -5.750 -20.481 1.00 0.00 C ATOM 1495 CD LYS A 95 1.724 -6.266 -21.744 1.00 0.00 C ATOM 1496 CE LYS A 95 0.684 -5.286 -22.263 1.00 0.00 C ATOM 1497 NZ LYS A 95 1.310 -4.138 -22.976 1.00 0.00 N ATOM 0 H LYS A 95 0.330 -7.096 -17.370 1.00 0.00 H new ATOM 0 HA LYS A 95 1.730 -8.242 -19.468 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.531 -6.050 -19.474 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.791 -5.367 -18.465 1.00 0.00 H new ATOM 0 HG2 LYS A 95 2.506 -4.668 -20.543 1.00 0.00 H new ATOM 0 HG3 LYS A 95 3.397 -6.170 -20.402 1.00 0.00 H new ATOM 0 HD2 LYS A 95 2.478 -6.439 -22.512 1.00 0.00 H new ATOM 0 HD3 LYS A 95 1.251 -7.226 -21.540 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.002 -5.804 -22.937 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.088 -4.914 -21.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.711 -3.295 -22.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 2.249 -3.949 -22.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.408 -4.368 -23.986 1.00 0.00 H new ATOM 1511 N ALA A 96 3.637 -7.318 -16.998 1.00 0.00 N ATOM 1512 CA ALA A 96 4.997 -7.361 -16.474 1.00 0.00 C ATOM 1513 C ALA A 96 5.486 -8.798 -16.331 1.00 0.00 C ATOM 1514 O ALA A 96 6.678 -9.075 -16.461 1.00 0.00 O ATOM 1515 CB ALA A 96 5.070 -6.641 -15.136 1.00 0.00 C ATOM 0 H ALA A 96 2.926 -7.077 -16.307 1.00 0.00 H new ATOM 0 HA ALA A 96 5.649 -6.853 -17.184 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.091 -6.681 -14.757 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.772 -5.601 -15.266 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.400 -7.125 -14.425 1.00 0.00 H new ATOM 1521 N PHE A 97 4.557 -9.710 -16.062 1.00 0.00 N ATOM 1522 CA PHE A 97 4.894 -11.119 -15.899 1.00 0.00 C ATOM 1523 C PHE A 97 5.368 -11.721 -17.218 1.00 0.00 C ATOM 1524 O PHE A 97 6.355 -12.456 -17.257 1.00 0.00 O ATOM 1525 CB PHE A 97 3.684 -11.897 -15.376 1.00 0.00 C ATOM 1526 CG PHE A 97 3.680 -12.068 -13.884 1.00 0.00 C ATOM 1527 CD1 PHE A 97 3.428 -10.990 -13.051 1.00 0.00 C ATOM 1528 CD2 PHE A 97 3.928 -13.307 -13.315 1.00 0.00 C ATOM 1529 CE1 PHE A 97 3.424 -11.145 -11.678 1.00 0.00 C ATOM 1530 CE2 PHE A 97 3.925 -13.467 -11.942 1.00 0.00 C ATOM 1531 CZ PHE A 97 3.672 -12.385 -11.122 1.00 0.00 C ATOM 0 H PHE A 97 3.565 -9.498 -15.952 1.00 0.00 H new ATOM 0 HA PHE A 97 5.705 -11.192 -15.175 1.00 0.00 H new ATOM 0 HB2 PHE A 97 2.772 -11.381 -15.677 1.00 0.00 H new ATOM 0 HB3 PHE A 97 3.663 -12.880 -15.846 1.00 0.00 H new ATOM 0 HD1 PHE A 97 3.233 -10.018 -13.479 1.00 0.00 H new ATOM 0 HD2 PHE A 97 4.126 -14.157 -13.951 1.00 0.00 H new ATOM 0 HE1 PHE A 97 3.227 -10.297 -11.039 1.00 0.00 H new ATOM 0 HE2 PHE A 97 4.120 -14.438 -11.511 1.00 0.00 H new ATOM 0 HZ PHE A 97 3.668 -12.508 -10.049 1.00 0.00 H new ATOM 1541 N GLU A 98 4.658 -11.404 -18.296 1.00 0.00 N ATOM 1542 CA GLU A 98 5.006 -11.914 -19.617 1.00 0.00 C ATOM 1543 C GLU A 98 6.263 -11.231 -20.150 1.00 0.00 C ATOM 1544 O GLU A 98 7.067 -11.848 -20.848 1.00 0.00 O ATOM 1545 CB GLU A 98 3.846 -11.704 -20.592 1.00 0.00 C ATOM 1546 CG GLU A 98 3.304 -10.284 -20.596 1.00 0.00 C ATOM 1547 CD GLU A 98 2.471 -9.981 -21.827 1.00 0.00 C ATOM 1548 OE1 GLU A 98 1.375 -10.563 -21.960 1.00 0.00 O ATOM 1549 OE2 GLU A 98 2.918 -9.162 -22.657 1.00 0.00 O ATOM 0 H GLU A 98 3.839 -10.797 -18.281 1.00 0.00 H new ATOM 0 HA GLU A 98 5.204 -12.982 -19.525 1.00 0.00 H new ATOM 0 HB2 GLU A 98 4.177 -11.960 -21.598 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.039 -12.391 -20.337 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.697 -10.128 -19.704 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.136 -9.581 -20.543 1.00 0.00 H new ATOM 1556 N GLN A 99 6.422 -9.954 -19.817 1.00 0.00 N ATOM 1557 CA GLN A 99 7.579 -9.187 -20.264 1.00 0.00 C ATOM 1558 C GLN A 99 8.819 -9.554 -19.456 1.00 0.00 C ATOM 1559 O GLN A 99 9.940 -9.497 -19.961 1.00 0.00 O ATOM 1560 CB GLN A 99 7.301 -7.688 -20.142 1.00 0.00 C ATOM 1561 CG GLN A 99 6.461 -7.131 -21.280 1.00 0.00 C ATOM 1562 CD GLN A 99 6.553 -5.622 -21.389 1.00 0.00 C ATOM 1563 OE1 GLN A 99 7.550 -5.019 -20.991 1.00 0.00 O ATOM 1564 NE2 GLN A 99 5.510 -5.002 -21.929 1.00 0.00 N ATOM 0 H GLN A 99 5.765 -9.429 -19.240 1.00 0.00 H new ATOM 0 HA GLN A 99 7.764 -9.431 -21.310 1.00 0.00 H new ATOM 0 HB2 GLN A 99 6.791 -7.497 -19.198 1.00 0.00 H new ATOM 0 HB3 GLN A 99 8.250 -7.153 -20.106 1.00 0.00 H new ATOM 0 HG2 GLN A 99 6.785 -7.580 -22.219 1.00 0.00 H new ATOM 0 HG3 GLN A 99 5.420 -7.418 -21.132 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.704 -5.541 -22.246 1.00 0.00 H new ATOM 0 HE22 GLN A 99 5.515 -3.987 -22.027 1.00 0.00 H new ATOM 1573 N ALA A 100 8.611 -9.929 -18.198 1.00 0.00 N ATOM 1574 CA ALA A 100 9.712 -10.306 -17.321 1.00 0.00 C ATOM 1575 C ALA A 100 10.239 -11.695 -17.667 1.00 0.00 C ATOM 1576 O ALA A 100 11.427 -11.974 -17.514 1.00 0.00 O ATOM 1577 CB ALA A 100 9.269 -10.255 -15.866 1.00 0.00 C ATOM 0 H ALA A 100 7.690 -9.980 -17.764 1.00 0.00 H new ATOM 0 HA ALA A 100 10.522 -9.592 -17.468 1.00 0.00 H new ATOM 0 HB1 ALA A 100 10.101 -10.539 -15.222 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.948 -9.243 -15.619 1.00 0.00 H new ATOM 0 HB3 ALA A 100 8.440 -10.946 -15.714 1.00 0.00 H new ATOM 1583 N GLY A 101 9.345 -12.563 -18.133 1.00 0.00 N ATOM 1584 CA GLY A 101 9.740 -13.912 -18.492 1.00 0.00 C ATOM 1585 C GLY A 101 10.559 -13.957 -19.767 1.00 0.00 C ATOM 1586 O GLY A 101 11.400 -14.839 -19.943 1.00 0.00 O ATOM 0 H GLY A 101 8.355 -12.356 -18.268 1.00 0.00 H new ATOM 0 HA2 GLY A 101 10.318 -14.347 -17.677 1.00 0.00 H new ATOM 0 HA3 GLY A 101 8.849 -14.528 -18.614 1.00 0.00 H new ATOM 1590 N LYS A 102 10.312 -13.005 -20.660 1.00 0.00 N ATOM 1591 CA LYS A 102 11.032 -12.938 -21.926 1.00 0.00 C ATOM 1592 C LYS A 102 12.451 -12.419 -21.718 1.00 0.00 C ATOM 1593 O LYS A 102 13.381 -12.836 -22.408 1.00 0.00 O ATOM 1594 CB LYS A 102 10.287 -12.036 -22.913 1.00 0.00 C ATOM 1595 CG LYS A 102 10.784 -10.601 -22.919 1.00 0.00 C ATOM 1596 CD LYS A 102 9.839 -9.687 -23.682 1.00 0.00 C ATOM 1597 CE LYS A 102 10.570 -8.481 -24.252 1.00 0.00 C ATOM 1598 NZ LYS A 102 11.082 -8.741 -25.626 1.00 0.00 N ATOM 0 H LYS A 102 9.618 -12.269 -20.530 1.00 0.00 H new ATOM 0 HA LYS A 102 11.089 -13.946 -22.337 1.00 0.00 H new ATOM 0 HB2 LYS A 102 10.386 -12.450 -23.916 1.00 0.00 H new ATOM 0 HB3 LYS A 102 9.225 -12.043 -22.668 1.00 0.00 H new ATOM 0 HG2 LYS A 102 10.886 -10.246 -21.893 1.00 0.00 H new ATOM 0 HG3 LYS A 102 11.775 -10.560 -23.371 1.00 0.00 H new ATOM 0 HD2 LYS A 102 9.367 -10.244 -24.491 1.00 0.00 H new ATOM 0 HD3 LYS A 102 9.042 -9.351 -23.019 1.00 0.00 H new ATOM 0 HE2 LYS A 102 9.897 -7.624 -24.272 1.00 0.00 H new ATOM 0 HE3 LYS A 102 11.402 -8.218 -23.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 11.574 -7.895 -25.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 11.744 -9.543 -25.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 10.286 -8.967 -26.256 1.00 0.00 H new ATOM 1612 N GLU A 103 12.610 -11.509 -20.763 1.00 0.00 N ATOM 1613 CA GLU A 103 13.916 -10.934 -20.465 1.00 0.00 C ATOM 1614 C GLU A 103 14.719 -11.854 -19.549 1.00 0.00 C ATOM 1615 O GLU A 103 15.929 -12.015 -19.717 1.00 0.00 O ATOM 1616 CB GLU A 103 13.757 -9.559 -19.813 1.00 0.00 C ATOM 1617 CG GLU A 103 12.974 -9.590 -18.511 1.00 0.00 C ATOM 1618 CD GLU A 103 12.750 -8.207 -17.933 1.00 0.00 C ATOM 1619 OE1 GLU A 103 11.937 -7.449 -18.503 1.00 0.00 O ATOM 1620 OE2 GLU A 103 13.387 -7.882 -16.909 1.00 0.00 O ATOM 0 H GLU A 103 11.850 -11.154 -20.182 1.00 0.00 H new ATOM 0 HA GLU A 103 14.458 -10.821 -21.404 1.00 0.00 H new ATOM 0 HB2 GLU A 103 14.745 -9.140 -19.623 1.00 0.00 H new ATOM 0 HB3 GLU A 103 13.256 -8.890 -20.513 1.00 0.00 H new ATOM 0 HG2 GLU A 103 12.010 -10.069 -18.682 1.00 0.00 H new ATOM 0 HG3 GLU A 103 13.509 -10.201 -17.784 1.00 0.00 H new ATOM 1627 N LEU A 104 14.037 -12.455 -18.580 1.00 0.00 N ATOM 1628 CA LEU A 104 14.686 -13.359 -17.636 1.00 0.00 C ATOM 1629 C LEU A 104 14.826 -14.757 -18.230 1.00 0.00 C ATOM 1630 O LEU A 104 15.624 -15.566 -17.758 1.00 0.00 O ATOM 1631 CB LEU A 104 13.888 -13.424 -16.332 1.00 0.00 C ATOM 1632 CG LEU A 104 13.887 -12.153 -15.483 1.00 0.00 C ATOM 1633 CD1 LEU A 104 12.526 -11.945 -14.837 1.00 0.00 C ATOM 1634 CD2 LEU A 104 14.977 -12.218 -14.424 1.00 0.00 C ATOM 0 H LEU A 104 13.036 -12.333 -18.427 1.00 0.00 H new ATOM 0 HA LEU A 104 15.683 -12.972 -17.426 1.00 0.00 H new ATOM 0 HB2 LEU A 104 12.856 -13.677 -16.573 1.00 0.00 H new ATOM 0 HB3 LEU A 104 14.283 -14.241 -15.728 1.00 0.00 H new ATOM 0 HG LEU A 104 14.092 -11.303 -16.134 1.00 0.00 H new ATOM 0 HD11 LEU A 104 12.544 -11.036 -14.236 1.00 0.00 H new ATOM 0 HD12 LEU A 104 11.765 -11.853 -15.612 1.00 0.00 H new ATOM 0 HD13 LEU A 104 12.292 -12.797 -14.199 1.00 0.00 H new ATOM 0 HD21 LEU A 104 14.961 -11.305 -13.829 1.00 0.00 H new ATOM 0 HD22 LEU A 104 14.803 -13.077 -13.775 1.00 0.00 H new ATOM 0 HD23 LEU A 104 15.949 -12.319 -14.908 1.00 0.00 H new ATOM 1646 N GLY A 105 14.046 -15.034 -19.271 1.00 0.00 N ATOM 1647 CA GLY A 105 14.101 -16.334 -19.914 1.00 0.00 C ATOM 1648 C GLY A 105 13.211 -17.355 -19.233 1.00 0.00 C ATOM 1649 O GLY A 105 13.000 -18.450 -19.754 1.00 0.00 O ATOM 0 H GLY A 105 13.377 -14.381 -19.680 1.00 0.00 H new ATOM 0 HA2 GLY A 105 13.801 -16.233 -20.957 1.00 0.00 H new ATOM 0 HA3 GLY A 105 15.130 -16.694 -19.912 1.00 0.00 H new ATOM 1653 N ILE A 106 12.690 -16.997 -18.064 1.00 0.00 N ATOM 1654 CA ILE A 106 11.819 -17.891 -17.311 1.00 0.00 C ATOM 1655 C ILE A 106 10.536 -18.187 -18.081 1.00 0.00 C ATOM 1656 O ILE A 106 9.946 -17.295 -18.692 1.00 0.00 O ATOM 1657 CB ILE A 106 11.454 -17.297 -15.938 1.00 0.00 C ATOM 1658 CG1 ILE A 106 12.547 -17.614 -14.915 1.00 0.00 C ATOM 1659 CG2 ILE A 106 10.110 -17.834 -15.468 1.00 0.00 C ATOM 1660 CD1 ILE A 106 13.656 -16.586 -14.876 1.00 0.00 C ATOM 0 H ILE A 106 12.856 -16.095 -17.618 1.00 0.00 H new ATOM 0 HA ILE A 106 12.373 -18.818 -17.162 1.00 0.00 H new ATOM 0 HB ILE A 106 11.376 -16.214 -16.036 1.00 0.00 H new ATOM 0 HG12 ILE A 106 12.096 -17.688 -13.925 1.00 0.00 H new ATOM 0 HG13 ILE A 106 12.975 -18.590 -15.144 1.00 0.00 H new ATOM 0 HG21 ILE A 106 9.866 -17.405 -14.496 1.00 0.00 H new ATOM 0 HG22 ILE A 106 9.338 -17.563 -16.188 1.00 0.00 H new ATOM 0 HG23 ILE A 106 10.162 -18.919 -15.382 1.00 0.00 H new ATOM 0 HD11 ILE A 106 14.395 -16.876 -14.129 1.00 0.00 H new ATOM 0 HD12 ILE A 106 14.133 -16.528 -15.854 1.00 0.00 H new ATOM 0 HD13 ILE A 106 13.240 -15.612 -14.617 1.00 0.00 H new ATOM 1672 N LYS A 107 10.108 -19.444 -18.046 1.00 0.00 N ATOM 1673 CA LYS A 107 8.893 -19.858 -18.738 1.00 0.00 C ATOM 1674 C LYS A 107 7.659 -19.245 -18.084 1.00 0.00 C ATOM 1675 O LYS A 107 7.264 -19.641 -16.986 1.00 0.00 O ATOM 1676 CB LYS A 107 8.777 -21.384 -18.739 1.00 0.00 C ATOM 1677 CG LYS A 107 9.168 -22.022 -20.061 1.00 0.00 C ATOM 1678 CD LYS A 107 10.618 -22.479 -20.053 1.00 0.00 C ATOM 1679 CE LYS A 107 11.558 -21.355 -20.460 1.00 0.00 C ATOM 1680 NZ LYS A 107 12.891 -21.872 -20.880 1.00 0.00 N ATOM 0 H LYS A 107 10.585 -20.194 -17.546 1.00 0.00 H new ATOM 0 HA LYS A 107 8.952 -19.503 -19.767 1.00 0.00 H new ATOM 0 HB2 LYS A 107 9.409 -21.789 -17.949 1.00 0.00 H new ATOM 0 HB3 LYS A 107 7.751 -21.662 -18.500 1.00 0.00 H new ATOM 0 HG2 LYS A 107 8.518 -22.874 -20.261 1.00 0.00 H new ATOM 0 HG3 LYS A 107 9.015 -21.308 -20.870 1.00 0.00 H new ATOM 0 HD2 LYS A 107 10.883 -22.834 -19.057 1.00 0.00 H new ATOM 0 HD3 LYS A 107 10.739 -23.321 -20.735 1.00 0.00 H new ATOM 0 HE2 LYS A 107 11.114 -20.788 -21.278 1.00 0.00 H new ATOM 0 HE3 LYS A 107 11.682 -20.665 -19.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 13.503 -21.076 -21.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 13.326 -22.391 -20.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 12.775 -22.510 -21.693 1.00 0.00 H new ATOM 1694 N LEU A 108 7.052 -18.280 -18.765 1.00 0.00 N ATOM 1695 CA LEU A 108 5.861 -17.613 -18.251 1.00 0.00 C ATOM 1696 C LEU A 108 4.869 -17.327 -19.374 1.00 0.00 C ATOM 1697 O LEU A 108 5.224 -16.734 -20.392 1.00 0.00 O ATOM 1698 CB LEU A 108 6.244 -16.309 -17.550 1.00 0.00 C ATOM 1699 CG LEU A 108 5.329 -15.866 -16.408 1.00 0.00 C ATOM 1700 CD1 LEU A 108 3.881 -15.826 -16.869 1.00 0.00 C ATOM 1701 CD2 LEU A 108 5.484 -16.792 -15.210 1.00 0.00 C ATOM 0 H LEU A 108 7.365 -17.942 -19.675 1.00 0.00 H new ATOM 0 HA LEU A 108 5.385 -18.279 -17.531 1.00 0.00 H new ATOM 0 HB2 LEU A 108 7.256 -16.414 -17.158 1.00 0.00 H new ATOM 0 HB3 LEU A 108 6.272 -15.514 -18.295 1.00 0.00 H new ATOM 0 HG LEU A 108 5.620 -14.860 -16.105 1.00 0.00 H new ATOM 0 HD11 LEU A 108 3.245 -15.509 -16.043 1.00 0.00 H new ATOM 0 HD12 LEU A 108 3.781 -15.122 -17.695 1.00 0.00 H new ATOM 0 HD13 LEU A 108 3.577 -16.819 -17.200 1.00 0.00 H new ATOM 0 HD21 LEU A 108 4.825 -16.461 -14.407 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.221 -17.809 -15.500 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.517 -16.769 -14.864 1.00 0.00 H new ATOM 2062 N HIS A 133 -3.768 -17.108 -13.223 1.00 0.00 N ATOM 2063 CA HIS A 133 -2.833 -18.162 -12.847 1.00 0.00 C ATOM 2064 C HIS A 133 -1.711 -18.286 -13.875 1.00 0.00 C ATOM 2065 O HIS A 133 -1.961 -18.535 -15.054 1.00 0.00 O ATOM 2066 CB HIS A 133 -3.564 -19.498 -12.710 1.00 0.00 C ATOM 2067 CG HIS A 133 -2.704 -20.600 -12.175 1.00 0.00 C ATOM 2068 ND1 HIS A 133 -1.805 -20.421 -11.145 1.00 0.00 N ATOM 2069 CD2 HIS A 133 -2.609 -21.902 -12.533 1.00 0.00 C ATOM 2070 CE1 HIS A 133 -1.194 -21.565 -10.893 1.00 0.00 C ATOM 2071 NE2 HIS A 133 -1.664 -22.480 -11.721 1.00 0.00 N ATOM 0 HA HIS A 133 -2.394 -17.897 -11.885 1.00 0.00 H new ATOM 0 HB2 HIS A 133 -4.423 -19.367 -12.052 1.00 0.00 H new ATOM 0 HB3 HIS A 133 -3.952 -19.792 -13.685 1.00 0.00 H new ATOM 0 HD1 HIS A 133 -1.638 -19.543 -10.654 1.00 0.00 H new ATOM 0 HD2 HIS A 133 -3.172 -22.395 -13.312 1.00 0.00 H new ATOM 0 HE1 HIS A 133 -0.438 -21.725 -10.138 1.00 0.00 H new ATOM 2079 N VAL A 134 -0.475 -18.109 -13.419 1.00 0.00 N ATOM 2080 CA VAL A 134 0.684 -18.201 -14.298 1.00 0.00 C ATOM 2081 C VAL A 134 1.375 -19.553 -14.156 1.00 0.00 C ATOM 2082 O VAL A 134 1.598 -20.033 -13.046 1.00 0.00 O ATOM 2083 CB VAL A 134 1.702 -17.083 -14.004 1.00 0.00 C ATOM 2084 CG1 VAL A 134 1.027 -15.721 -14.051 1.00 0.00 C ATOM 2085 CG2 VAL A 134 2.367 -17.311 -12.655 1.00 0.00 C ATOM 0 H VAL A 134 -0.251 -17.901 -12.446 1.00 0.00 H new ATOM 0 HA VAL A 134 0.317 -18.089 -15.318 1.00 0.00 H new ATOM 0 HB VAL A 134 2.474 -17.106 -14.773 1.00 0.00 H new ATOM 0 HG11 VAL A 134 1.761 -14.943 -13.841 1.00 0.00 H new ATOM 0 HG12 VAL A 134 0.601 -15.560 -15.041 1.00 0.00 H new ATOM 0 HG13 VAL A 134 0.234 -15.682 -13.304 1.00 0.00 H new ATOM 0 HG21 VAL A 134 3.083 -16.512 -12.463 1.00 0.00 H new ATOM 0 HG22 VAL A 134 1.609 -17.315 -11.872 1.00 0.00 H new ATOM 0 HG23 VAL A 134 2.886 -18.270 -12.663 1.00 0.00 H new ATOM 2095 N GLU A 135 1.713 -20.160 -15.290 1.00 0.00 N ATOM 2096 CA GLU A 135 2.379 -21.457 -15.291 1.00 0.00 C ATOM 2097 C GLU A 135 3.475 -21.505 -16.352 1.00 0.00 C ATOM 2098 O GLU A 135 3.523 -20.663 -17.250 1.00 0.00 O ATOM 2099 CB GLU A 135 1.365 -22.576 -15.539 1.00 0.00 C ATOM 2100 CG GLU A 135 0.864 -22.637 -16.972 1.00 0.00 C ATOM 2101 CD GLU A 135 -0.305 -23.588 -17.141 1.00 0.00 C ATOM 2102 OE1 GLU A 135 -1.461 -23.138 -16.994 1.00 0.00 O ATOM 2103 OE2 GLU A 135 -0.064 -24.781 -17.420 1.00 0.00 O ATOM 0 H GLU A 135 1.537 -19.775 -16.218 1.00 0.00 H new ATOM 0 HA GLU A 135 2.837 -21.602 -14.313 1.00 0.00 H new ATOM 0 HB2 GLU A 135 1.821 -23.532 -15.282 1.00 0.00 H new ATOM 0 HB3 GLU A 135 0.515 -22.439 -14.871 1.00 0.00 H new ATOM 0 HG2 GLU A 135 0.565 -21.639 -17.291 1.00 0.00 H new ATOM 0 HG3 GLU A 135 1.679 -22.949 -17.625 1.00 0.00 H new ATOM 2110 N LEU A 136 4.354 -22.495 -16.242 1.00 0.00 N ATOM 2111 CA LEU A 136 5.450 -22.654 -17.191 1.00 0.00 C ATOM 2112 C LEU A 136 4.954 -23.256 -18.501 1.00 0.00 C ATOM 2113 O LEU A 136 4.113 -24.156 -18.504 1.00 0.00 O ATOM 2114 CB LEU A 136 6.545 -23.538 -16.592 1.00 0.00 C ATOM 2115 CG LEU A 136 7.491 -22.858 -15.602 1.00 0.00 C ATOM 2116 CD1 LEU A 136 6.881 -22.840 -14.208 1.00 0.00 C ATOM 2117 CD2 LEU A 136 8.841 -23.560 -15.586 1.00 0.00 C ATOM 0 H LEU A 136 4.329 -23.200 -15.505 1.00 0.00 H new ATOM 0 HA LEU A 136 5.862 -21.667 -17.400 1.00 0.00 H new ATOM 0 HB2 LEU A 136 6.069 -24.380 -16.089 1.00 0.00 H new ATOM 0 HB3 LEU A 136 7.140 -23.948 -17.408 1.00 0.00 H new ATOM 0 HG LEU A 136 7.644 -21.828 -15.923 1.00 0.00 H new ATOM 0 HD11 LEU A 136 7.568 -22.352 -13.516 1.00 0.00 H new ATOM 0 HD12 LEU A 136 5.939 -22.292 -14.230 1.00 0.00 H new ATOM 0 HD13 LEU A 136 6.699 -23.863 -13.877 1.00 0.00 H new ATOM 0 HD21 LEU A 136 9.501 -23.062 -14.876 1.00 0.00 H new ATOM 0 HD22 LEU A 136 8.707 -24.600 -15.289 1.00 0.00 H new ATOM 0 HD23 LEU A 136 9.283 -23.521 -16.581 1.00 0.00 H new ATOM 2129 N VAL A 137 5.481 -22.756 -19.614 1.00 0.00 N ATOM 2130 CA VAL A 137 5.094 -23.247 -20.931 1.00 0.00 C ATOM 2131 C VAL A 137 6.302 -23.770 -21.700 1.00 0.00 C ATOM 2132 O VAL A 137 6.163 -24.723 -22.465 1.00 0.00 O ATOM 2133 CB VAL A 137 4.409 -22.145 -21.762 1.00 0.00 C ATOM 2134 CG1 VAL A 137 2.998 -21.892 -21.252 1.00 0.00 C ATOM 2135 CG2 VAL A 137 5.233 -20.867 -21.734 1.00 0.00 C ATOM 0 H VAL A 137 6.177 -22.011 -19.630 1.00 0.00 H new ATOM 0 HA VAL A 137 4.389 -24.062 -20.770 1.00 0.00 H new ATOM 0 HB VAL A 137 4.341 -22.482 -22.796 1.00 0.00 H new ATOM 0 HG11 VAL A 137 2.529 -21.111 -21.851 1.00 0.00 H new ATOM 0 HG12 VAL A 137 2.413 -22.809 -21.330 1.00 0.00 H new ATOM 0 HG13 VAL A 137 3.039 -21.575 -20.210 1.00 0.00 H new ATOM 0 HG21 VAL A 137 4.734 -20.100 -22.326 1.00 0.00 H new ATOM 0 HG22 VAL A 137 5.335 -20.522 -20.705 1.00 0.00 H new ATOM 0 HG23 VAL A 137 6.221 -21.062 -22.151 1.00 0.00 H new