USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 662 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 50 MET CE :methyl 154:sc= -0.0302 (180deg=-0.715) USER MOD Set 1.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.387) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 180:sc= -0.477 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 1.19 K(o=1.2,f=-4.4!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0387 X(o=-0.039,f=-0.076) USER MOD Single : A 29 HIS : no HE2:sc= 0.168 K(o=0.17,f=-0.6) USER MOD Single : A 31 ASN : amide:sc= 0.435 X(o=0.44,f=0.81) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 178:sc= 1.23 USER MOD Single : A 51 LYS NZ :NH3+ 164:sc= 0.362 (180deg=0.256) USER MOD Single : A 53 HIS : no HD1:sc= -0.226 X(o=-0.23,f=-0.29) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0772 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 67 THR OG1 : rot -102:sc= 0.75 USER MOD Single : A 68 ASN : amide:sc= 0.392 X(o=0.39,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.301) USER MOD Single : A 78 MET CE :methyl -177:sc= 0 (180deg=-0.00433) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.0567 X(o=-0.057,f=-0.54) USER MOD Single : A 95 TYR OH : rot 40:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 29 N ASP A 3 5.015 -1.732 -4.665 1.00 0.00 N ATOM 30 CA ASP A 3 4.987 -1.310 -6.090 1.00 0.00 C ATOM 31 C ASP A 3 6.433 -1.499 -6.670 1.00 0.00 C ATOM 32 O ASP A 3 7.277 -0.623 -6.446 1.00 0.00 O ATOM 33 CB ASP A 3 4.468 0.151 -6.208 1.00 0.00 C ATOM 34 CG ASP A 3 3.055 0.412 -5.686 1.00 0.00 C ATOM 35 OD1 ASP A 3 2.101 -0.197 -6.443 1.00 0.00 O ATOM 36 OD2 ASP A 3 2.809 1.095 -4.696 1.00 0.00 O ATOM 0 HA ASP A 3 4.297 -1.919 -6.674 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.157 0.803 -5.671 1.00 0.00 H new ATOM 0 HB3 ASP A 3 4.505 0.443 -7.257 1.00 0.00 H new ATOM 41 N PRO A 4 6.792 -2.602 -7.396 1.00 0.00 N ATOM 42 CA PRO A 4 8.206 -2.884 -7.791 1.00 0.00 C ATOM 43 C PRO A 4 8.868 -1.933 -8.840 1.00 0.00 C ATOM 44 O PRO A 4 10.078 -1.707 -8.774 1.00 0.00 O ATOM 45 CB PRO A 4 8.133 -4.360 -8.230 1.00 0.00 C ATOM 46 CG PRO A 4 6.686 -4.596 -8.665 1.00 0.00 C ATOM 47 CD PRO A 4 5.855 -3.678 -7.767 1.00 0.00 C ATOM 0 HA PRO A 4 8.888 -2.692 -6.963 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.825 -4.559 -9.049 1.00 0.00 H new ATOM 0 HB3 PRO A 4 8.408 -5.025 -7.412 1.00 0.00 H new ATOM 0 HG2 PRO A 4 6.545 -4.353 -9.718 1.00 0.00 H new ATOM 0 HG3 PRO A 4 6.399 -5.640 -8.537 1.00 0.00 H new ATOM 0 HD2 PRO A 4 4.984 -3.286 -8.293 1.00 0.00 H new ATOM 0 HD3 PRO A 4 5.485 -4.206 -6.888 1.00 0.00 H new ATOM 55 N ALA A 5 8.083 -1.321 -9.745 1.00 0.00 N ATOM 56 CA ALA A 5 8.563 -0.197 -10.603 1.00 0.00 C ATOM 57 C ALA A 5 8.987 1.104 -9.836 1.00 0.00 C ATOM 58 O ALA A 5 10.068 1.644 -10.090 1.00 0.00 O ATOM 59 CB ALA A 5 7.473 0.063 -11.661 1.00 0.00 C ATOM 0 H ALA A 5 7.110 -1.579 -9.909 1.00 0.00 H new ATOM 0 HA ALA A 5 9.500 -0.500 -11.069 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.785 0.880 -12.311 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.322 -0.837 -12.257 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.540 0.330 -11.164 1.00 0.00 H new ATOM 65 N ALA A 6 8.188 1.549 -8.845 1.00 0.00 N ATOM 66 CA ALA A 6 8.646 2.537 -7.824 1.00 0.00 C ATOM 67 C ALA A 6 9.819 2.086 -6.878 1.00 0.00 C ATOM 68 O ALA A 6 10.626 2.919 -6.457 1.00 0.00 O ATOM 69 CB ALA A 6 7.396 2.950 -7.027 1.00 0.00 C ATOM 0 H ALA A 6 7.222 1.245 -8.723 1.00 0.00 H new ATOM 0 HA ALA A 6 9.103 3.370 -8.357 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.675 3.675 -6.263 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.665 3.397 -7.702 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.961 2.071 -6.551 1.00 0.00 H new ATOM 75 N GLY A 7 9.959 0.778 -6.596 1.00 0.00 N ATOM 76 CA GLY A 7 11.187 0.206 -5.982 1.00 0.00 C ATOM 77 C GLY A 7 12.515 0.263 -6.771 1.00 0.00 C ATOM 78 O GLY A 7 13.573 0.235 -6.144 1.00 0.00 O ATOM 0 H GLY A 7 9.234 0.086 -6.783 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.347 0.714 -5.031 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.984 -0.840 -5.754 1.00 0.00 H new ATOM 82 N GLU A 8 12.475 0.378 -8.110 1.00 0.00 N ATOM 83 CA GLU A 8 13.684 0.664 -8.937 1.00 0.00 C ATOM 84 C GLU A 8 14.272 2.108 -8.776 1.00 0.00 C ATOM 85 O GLU A 8 15.494 2.255 -8.710 1.00 0.00 O ATOM 86 CB GLU A 8 13.379 0.296 -10.413 1.00 0.00 C ATOM 87 CG GLU A 8 14.648 0.217 -11.306 1.00 0.00 C ATOM 88 CD GLU A 8 14.494 -0.610 -12.579 1.00 0.00 C ATOM 89 OE1 GLU A 8 13.767 0.041 -13.534 1.00 0.00 O ATOM 90 OE2 GLU A 8 14.977 -1.734 -12.709 1.00 0.00 O ATOM 0 H GLU A 8 11.618 0.278 -8.655 1.00 0.00 H new ATOM 0 HA GLU A 8 14.491 0.035 -8.561 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.864 -0.664 -10.441 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.696 1.036 -10.830 1.00 0.00 H new ATOM 0 HG2 GLU A 8 14.942 1.229 -11.583 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.463 -0.202 -10.716 1.00 0.00 H new ATOM 97 N LYS A 9 13.430 3.157 -8.678 1.00 0.00 N ATOM 98 CA LYS A 9 13.886 4.514 -8.238 1.00 0.00 C ATOM 99 C LYS A 9 14.357 4.627 -6.744 1.00 0.00 C ATOM 100 O LYS A 9 15.339 5.323 -6.475 1.00 0.00 O ATOM 101 CB LYS A 9 12.873 5.606 -8.676 1.00 0.00 C ATOM 102 CG LYS A 9 11.456 5.525 -8.067 1.00 0.00 C ATOM 103 CD LYS A 9 10.496 6.681 -8.426 1.00 0.00 C ATOM 104 CE LYS A 9 9.844 6.622 -9.822 1.00 0.00 C ATOM 105 NZ LYS A 9 10.725 7.168 -10.873 1.00 0.00 N ATOM 0 H LYS A 9 12.435 3.103 -8.894 1.00 0.00 H new ATOM 0 HA LYS A 9 14.819 4.700 -8.771 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.295 6.580 -8.427 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.779 5.567 -9.761 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.999 4.588 -8.385 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.551 5.482 -6.982 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.703 6.711 -7.679 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.045 7.619 -8.345 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.594 5.588 -10.061 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.908 7.181 -9.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.150 7.471 -11.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.250 7.983 -10.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.396 6.435 -11.179 1.00 0.00 H new ATOM 118 N VAL A 10 13.739 3.890 -5.795 1.00 0.00 N ATOM 119 CA VAL A 10 14.330 3.649 -4.435 1.00 0.00 C ATOM 120 C VAL A 10 15.695 2.858 -4.484 1.00 0.00 C ATOM 121 O VAL A 10 16.659 3.282 -3.838 1.00 0.00 O ATOM 122 CB VAL A 10 13.282 3.029 -3.445 1.00 0.00 C ATOM 123 CG1 VAL A 10 13.833 2.890 -2.005 1.00 0.00 C ATOM 124 CG2 VAL A 10 11.961 3.826 -3.312 1.00 0.00 C ATOM 0 H VAL A 10 12.831 3.447 -5.934 1.00 0.00 H new ATOM 0 HA VAL A 10 14.591 4.626 -4.029 1.00 0.00 H new ATOM 0 HB VAL A 10 13.080 2.060 -3.900 1.00 0.00 H new ATOM 0 HG11 VAL A 10 13.067 2.456 -1.363 1.00 0.00 H new ATOM 0 HG12 VAL A 10 14.710 2.243 -2.012 1.00 0.00 H new ATOM 0 HG13 VAL A 10 14.111 3.873 -1.625 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.301 3.321 -2.607 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.177 4.831 -2.950 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.474 3.888 -4.285 1.00 0.00 H new ATOM 134 N PHE A 11 15.817 1.772 -5.280 1.00 0.00 N ATOM 135 CA PHE A 11 17.131 1.146 -5.617 1.00 0.00 C ATOM 136 C PHE A 11 18.216 2.070 -6.276 1.00 0.00 C ATOM 137 O PHE A 11 19.402 1.782 -6.113 1.00 0.00 O ATOM 138 CB PHE A 11 16.874 -0.140 -6.456 1.00 0.00 C ATOM 139 CG PHE A 11 18.084 -1.088 -6.563 1.00 0.00 C ATOM 140 CD1 PHE A 11 18.410 -1.919 -5.487 1.00 0.00 C ATOM 141 CD2 PHE A 11 18.909 -1.076 -7.694 1.00 0.00 C ATOM 142 CE1 PHE A 11 19.550 -2.715 -5.533 1.00 0.00 C ATOM 143 CE2 PHE A 11 20.049 -1.878 -7.739 1.00 0.00 C ATOM 144 CZ PHE A 11 20.375 -2.687 -6.653 1.00 0.00 C ATOM 0 H PHE A 11 15.019 1.302 -5.708 1.00 0.00 H new ATOM 0 HA PHE A 11 17.593 0.909 -4.659 1.00 0.00 H new ATOM 0 HB2 PHE A 11 16.040 -0.685 -6.015 1.00 0.00 H new ATOM 0 HB3 PHE A 11 16.568 0.152 -7.461 1.00 0.00 H new ATOM 0 HD1 PHE A 11 17.773 -1.943 -4.615 1.00 0.00 H new ATOM 0 HD2 PHE A 11 18.662 -0.444 -8.534 1.00 0.00 H new ATOM 0 HE1 PHE A 11 19.795 -3.355 -4.698 1.00 0.00 H new ATOM 0 HE2 PHE A 11 20.679 -1.872 -8.616 1.00 0.00 H new ATOM 0 HZ PHE A 11 21.269 -3.293 -6.680 1.00 0.00 H new ATOM 154 N GLY A 12 17.866 3.186 -6.942 1.00 0.00 N ATOM 155 CA GLY A 12 18.855 4.235 -7.324 1.00 0.00 C ATOM 156 C GLY A 12 19.751 4.868 -6.218 1.00 0.00 C ATOM 157 O GLY A 12 20.906 5.201 -6.482 1.00 0.00 O ATOM 0 H GLY A 12 16.910 3.393 -7.230 1.00 0.00 H new ATOM 0 HA2 GLY A 12 19.516 3.805 -8.077 1.00 0.00 H new ATOM 0 HA3 GLY A 12 18.306 5.044 -7.806 1.00 0.00 H new ATOM 161 N LYS A 13 19.237 4.976 -4.983 1.00 0.00 N ATOM 162 CA LYS A 13 20.073 5.211 -3.762 1.00 0.00 C ATOM 163 C LYS A 13 21.026 4.028 -3.351 1.00 0.00 C ATOM 164 O LYS A 13 22.136 4.272 -2.873 1.00 0.00 O ATOM 165 CB LYS A 13 19.128 5.587 -2.588 1.00 0.00 C ATOM 166 CG LYS A 13 18.427 6.963 -2.701 1.00 0.00 C ATOM 167 CD LYS A 13 17.335 7.205 -1.633 1.00 0.00 C ATOM 168 CE LYS A 13 15.992 6.483 -1.868 1.00 0.00 C ATOM 169 NZ LYS A 13 15.229 7.082 -2.982 1.00 0.00 N ATOM 0 H LYS A 13 18.238 4.906 -4.787 1.00 0.00 H new ATOM 0 HA LYS A 13 20.757 6.023 -4.008 1.00 0.00 H new ATOM 0 HB2 LYS A 13 18.362 4.816 -2.502 1.00 0.00 H new ATOM 0 HB3 LYS A 13 19.704 5.569 -1.663 1.00 0.00 H new ATOM 0 HG2 LYS A 13 19.178 7.749 -2.622 1.00 0.00 H new ATOM 0 HG3 LYS A 13 17.978 7.050 -3.690 1.00 0.00 H new ATOM 0 HD2 LYS A 13 17.727 6.896 -0.664 1.00 0.00 H new ATOM 0 HD3 LYS A 13 17.144 8.276 -1.573 1.00 0.00 H new ATOM 0 HE2 LYS A 13 16.179 5.430 -2.081 1.00 0.00 H new ATOM 0 HE3 LYS A 13 15.395 6.523 -0.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.334 6.567 -3.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.028 8.080 -2.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.787 7.021 -3.857 1.00 0.00 H new ATOM 182 N CYS A 14 20.600 2.765 -3.530 1.00 0.00 N ATOM 183 CA CYS A 14 21.461 1.567 -3.348 1.00 0.00 C ATOM 184 C CYS A 14 22.522 1.294 -4.476 1.00 0.00 C ATOM 185 O CYS A 14 23.618 0.817 -4.168 1.00 0.00 O ATOM 186 CB CYS A 14 20.519 0.346 -3.196 1.00 0.00 C ATOM 187 SG CYS A 14 18.968 0.683 -2.312 1.00 0.00 S ATOM 0 H CYS A 14 19.645 2.538 -3.807 1.00 0.00 H new ATOM 0 HA CYS A 14 22.072 1.752 -2.464 1.00 0.00 H new ATOM 0 HB2 CYS A 14 20.279 -0.035 -4.189 1.00 0.00 H new ATOM 0 HB3 CYS A 14 21.055 -0.445 -2.671 1.00 0.00 H new ATOM 0 HG CYS A 14 18.260 -0.406 -2.247 1.00 0.00 H new ATOM 192 N LYS A 15 22.196 1.548 -5.764 1.00 0.00 N ATOM 193 CA LYS A 15 22.967 1.018 -6.932 1.00 0.00 C ATOM 194 C LYS A 15 24.451 1.462 -7.154 1.00 0.00 C ATOM 195 O LYS A 15 25.219 0.720 -7.771 1.00 0.00 O ATOM 196 CB LYS A 15 22.110 1.139 -8.222 1.00 0.00 C ATOM 197 CG LYS A 15 22.047 2.521 -8.917 1.00 0.00 C ATOM 198 CD LYS A 15 21.101 2.570 -10.140 1.00 0.00 C ATOM 199 CE LYS A 15 21.504 1.736 -11.373 1.00 0.00 C ATOM 200 NZ LYS A 15 22.720 2.264 -12.026 1.00 0.00 N ATOM 0 H LYS A 15 21.397 2.122 -6.031 1.00 0.00 H new ATOM 0 HA LYS A 15 23.139 -0.022 -6.653 1.00 0.00 H new ATOM 0 HB2 LYS A 15 22.489 0.417 -8.945 1.00 0.00 H new ATOM 0 HB3 LYS A 15 21.091 0.840 -7.977 1.00 0.00 H new ATOM 0 HG2 LYS A 15 21.723 3.267 -8.191 1.00 0.00 H new ATOM 0 HG3 LYS A 15 23.051 2.801 -9.236 1.00 0.00 H new ATOM 0 HD2 LYS A 15 20.113 2.241 -9.817 1.00 0.00 H new ATOM 0 HD3 LYS A 15 21.005 3.610 -10.452 1.00 0.00 H new ATOM 0 HE2 LYS A 15 21.674 0.702 -11.072 1.00 0.00 H new ATOM 0 HE3 LYS A 15 20.682 1.728 -12.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 22.956 1.674 -12.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 22.550 3.242 -12.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 23.511 2.248 -11.351 1.00 0.00 H new ATOM 213 N ALA A 16 24.866 2.634 -6.639 1.00 0.00 N ATOM 214 CA ALA A 16 26.309 2.989 -6.518 1.00 0.00 C ATOM 215 C ALA A 16 27.176 2.051 -5.607 1.00 0.00 C ATOM 216 O ALA A 16 28.346 1.811 -5.913 1.00 0.00 O ATOM 217 CB ALA A 16 26.360 4.455 -6.045 1.00 0.00 C ATOM 0 H ALA A 16 24.231 3.356 -6.298 1.00 0.00 H new ATOM 0 HA ALA A 16 26.772 2.849 -7.495 1.00 0.00 H new ATOM 0 HB1 ALA A 16 27.399 4.767 -5.940 1.00 0.00 H new ATOM 0 HB2 ALA A 16 25.862 5.091 -6.777 1.00 0.00 H new ATOM 0 HB3 ALA A 16 25.855 4.545 -5.083 1.00 0.00 H new ATOM 223 N CYS A 17 26.597 1.515 -4.517 1.00 0.00 N ATOM 224 CA CYS A 17 27.217 0.432 -3.720 1.00 0.00 C ATOM 225 C CYS A 17 26.849 -1.029 -4.152 1.00 0.00 C ATOM 226 O CYS A 17 27.743 -1.877 -4.171 1.00 0.00 O ATOM 227 CB CYS A 17 26.839 0.687 -2.251 1.00 0.00 C ATOM 228 SG CYS A 17 27.311 2.350 -1.685 1.00 0.00 S ATOM 0 H CYS A 17 25.690 1.817 -4.162 1.00 0.00 H new ATOM 0 HA CYS A 17 28.293 0.474 -3.889 1.00 0.00 H new ATOM 0 HB2 CYS A 17 25.764 0.557 -2.129 1.00 0.00 H new ATOM 0 HB3 CYS A 17 27.324 -0.058 -1.620 1.00 0.00 H new ATOM 0 HG CYS A 17 26.963 2.500 -0.442 1.00 0.00 H new ATOM 233 N HIS A 18 25.570 -1.349 -4.430 1.00 0.00 N ATOM 234 CA HIS A 18 25.103 -2.750 -4.659 1.00 0.00 C ATOM 235 C HIS A 18 24.701 -3.003 -6.144 1.00 0.00 C ATOM 236 O HIS A 18 23.920 -2.247 -6.725 1.00 0.00 O ATOM 237 CB HIS A 18 23.872 -3.027 -3.762 1.00 0.00 C ATOM 238 CG HIS A 18 24.147 -3.157 -2.270 1.00 0.00 C ATOM 239 ND1 HIS A 18 24.541 -4.331 -1.685 1.00 0.00 N ATOM 240 CD2 HIS A 18 23.801 -2.227 -1.287 1.00 0.00 C ATOM 241 CE1 HIS A 18 24.331 -4.046 -0.373 1.00 0.00 C ATOM 242 NE2 HIS A 18 23.850 -2.793 -0.002 1.00 0.00 N ATOM 0 H HIS A 18 24.827 -0.654 -4.504 1.00 0.00 H new ATOM 0 HA HIS A 18 25.930 -3.416 -4.413 1.00 0.00 H new ATOM 0 HB2 HIS A 18 23.152 -2.222 -3.909 1.00 0.00 H new ATOM 0 HB3 HIS A 18 23.397 -3.946 -4.105 1.00 0.00 H new ATOM 0 HD1 HIS A 18 24.895 -5.185 -2.116 1.00 0.00 H new ATOM 0 HD2 HIS A 18 23.530 -1.201 -1.489 1.00 0.00 H new ATOM 0 HE1 HIS A 18 24.537 -4.791 0.381 1.00 0.00 H new ATOM 250 N LYS A 19 25.168 -4.112 -6.741 1.00 0.00 N ATOM 251 CA LYS A 19 24.931 -4.390 -8.196 1.00 0.00 C ATOM 252 C LYS A 19 23.779 -5.398 -8.511 1.00 0.00 C ATOM 253 O LYS A 19 23.091 -5.213 -9.515 1.00 0.00 O ATOM 254 CB LYS A 19 26.276 -4.778 -8.870 1.00 0.00 C ATOM 255 CG LYS A 19 27.309 -3.626 -8.954 1.00 0.00 C ATOM 256 CD LYS A 19 28.633 -4.053 -9.620 1.00 0.00 C ATOM 257 CE LYS A 19 29.690 -2.937 -9.708 1.00 0.00 C ATOM 258 NZ LYS A 19 29.343 -1.924 -10.727 1.00 0.00 N ATOM 0 H LYS A 19 25.707 -4.832 -6.259 1.00 0.00 H new ATOM 0 HA LYS A 19 24.557 -3.464 -8.633 1.00 0.00 H new ATOM 0 HB2 LYS A 19 26.719 -5.607 -8.317 1.00 0.00 H new ATOM 0 HB3 LYS A 19 26.072 -5.140 -9.878 1.00 0.00 H new ATOM 0 HG2 LYS A 19 26.877 -2.798 -9.515 1.00 0.00 H new ATOM 0 HG3 LYS A 19 27.516 -3.257 -7.950 1.00 0.00 H new ATOM 0 HD2 LYS A 19 29.052 -4.891 -9.063 1.00 0.00 H new ATOM 0 HD3 LYS A 19 28.419 -4.415 -10.626 1.00 0.00 H new ATOM 0 HE2 LYS A 19 29.789 -2.454 -8.736 1.00 0.00 H new ATOM 0 HE3 LYS A 19 30.660 -3.374 -9.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 30.081 -1.191 -10.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 29.274 -2.379 -11.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 28.430 -1.488 -10.486 1.00 0.00 H new ATOM 271 N LEU A 20 23.599 -6.474 -7.716 1.00 0.00 N ATOM 272 CA LEU A 20 22.670 -7.617 -8.007 1.00 0.00 C ATOM 273 C LEU A 20 22.818 -8.426 -9.342 1.00 0.00 C ATOM 274 O LEU A 20 22.022 -9.330 -9.609 1.00 0.00 O ATOM 275 CB LEU A 20 21.211 -7.362 -7.516 1.00 0.00 C ATOM 276 CG LEU A 20 20.393 -6.185 -8.085 1.00 0.00 C ATOM 277 CD1 LEU A 20 20.022 -6.364 -9.567 1.00 0.00 C ATOM 278 CD2 LEU A 20 19.099 -5.987 -7.271 1.00 0.00 C ATOM 0 H LEU A 20 24.099 -6.587 -6.834 1.00 0.00 H new ATOM 0 HA LEU A 20 23.089 -8.388 -7.360 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.643 -8.272 -7.707 1.00 0.00 H new ATOM 0 HB3 LEU A 20 21.252 -7.233 -6.434 1.00 0.00 H new ATOM 0 HG LEU A 20 21.035 -5.308 -8.007 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.448 -5.502 -9.905 1.00 0.00 H new ATOM 0 HD12 LEU A 20 20.931 -6.450 -10.162 1.00 0.00 H new ATOM 0 HD13 LEU A 20 19.424 -7.267 -9.686 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.533 -5.153 -7.685 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.496 -6.894 -7.319 1.00 0.00 H new ATOM 0 HD23 LEU A 20 19.352 -5.774 -6.232 1.00 0.00 H new ATOM 290 N ASP A 21 23.884 -8.187 -10.121 1.00 0.00 N ATOM 291 CA ASP A 21 24.120 -8.878 -11.427 1.00 0.00 C ATOM 292 C ASP A 21 25.315 -9.892 -11.353 1.00 0.00 C ATOM 293 O ASP A 21 26.246 -9.837 -12.164 1.00 0.00 O ATOM 294 CB ASP A 21 24.310 -7.787 -12.520 1.00 0.00 C ATOM 295 CG ASP A 21 23.100 -6.887 -12.789 1.00 0.00 C ATOM 296 OD1 ASP A 21 22.019 -7.297 -13.198 1.00 0.00 O ATOM 297 OD2 ASP A 21 23.357 -5.579 -12.511 1.00 0.00 O ATOM 0 H ASP A 21 24.612 -7.515 -9.877 1.00 0.00 H new ATOM 0 HA ASP A 21 23.257 -9.492 -11.686 1.00 0.00 H new ATOM 0 HB2 ASP A 21 25.151 -7.155 -12.232 1.00 0.00 H new ATOM 0 HB3 ASP A 21 24.586 -8.279 -13.452 1.00 0.00 H new ATOM 302 N GLY A 22 25.322 -10.816 -10.366 1.00 0.00 N ATOM 303 CA GLY A 22 26.518 -11.665 -10.078 1.00 0.00 C ATOM 304 C GLY A 22 27.671 -10.970 -9.311 1.00 0.00 C ATOM 305 O GLY A 22 28.049 -11.399 -8.222 1.00 0.00 O ATOM 0 H GLY A 22 24.525 -10.998 -9.756 1.00 0.00 H new ATOM 0 HA2 GLY A 22 26.194 -12.532 -9.502 1.00 0.00 H new ATOM 0 HA3 GLY A 22 26.910 -12.040 -11.024 1.00 0.00 H new ATOM 309 N ASN A 23 28.221 -9.897 -9.897 1.00 0.00 N ATOM 310 CA ASN A 23 29.166 -8.974 -9.212 1.00 0.00 C ATOM 311 C ASN A 23 28.578 -8.147 -8.020 1.00 0.00 C ATOM 312 O ASN A 23 27.368 -7.961 -7.861 1.00 0.00 O ATOM 313 CB ASN A 23 29.869 -8.065 -10.265 1.00 0.00 C ATOM 314 CG ASN A 23 29.004 -7.275 -11.269 1.00 0.00 C ATOM 315 OD1 ASN A 23 27.808 -7.059 -11.106 1.00 0.00 O ATOM 316 ND2 ASN A 23 29.591 -6.807 -12.343 1.00 0.00 N ATOM 0 H ASN A 23 28.028 -9.635 -10.864 1.00 0.00 H new ATOM 0 HA ASN A 23 29.898 -9.616 -8.722 1.00 0.00 H new ATOM 0 HB2 ASN A 23 30.482 -7.346 -9.722 1.00 0.00 H new ATOM 0 HB3 ASN A 23 30.549 -8.693 -10.840 1.00 0.00 H new ATOM 0 HD21 ASN A 23 29.054 -6.273 -13.026 1.00 0.00 H new ATOM 0 HD22 ASN A 23 30.585 -6.977 -12.496 1.00 0.00 H new ATOM 323 N ASP A 24 29.502 -7.675 -7.172 1.00 0.00 N ATOM 324 CA ASP A 24 29.173 -7.106 -5.831 1.00 0.00 C ATOM 325 C ASP A 24 29.150 -5.541 -5.853 1.00 0.00 C ATOM 326 O ASP A 24 28.064 -4.954 -5.876 1.00 0.00 O ATOM 327 CB ASP A 24 30.103 -7.756 -4.758 1.00 0.00 C ATOM 328 CG ASP A 24 29.993 -9.280 -4.610 1.00 0.00 C ATOM 329 OD1 ASP A 24 28.749 -9.682 -4.235 1.00 0.00 O ATOM 330 OD2 ASP A 24 30.914 -10.054 -4.847 1.00 0.00 O ATOM 0 H ASP A 24 30.500 -7.671 -7.383 1.00 0.00 H new ATOM 0 HA ASP A 24 28.153 -7.364 -5.545 1.00 0.00 H new ATOM 0 HB2 ASP A 24 31.136 -7.508 -5.002 1.00 0.00 H new ATOM 0 HB3 ASP A 24 29.885 -7.300 -3.792 1.00 0.00 H new ATOM 335 N GLY A 25 30.327 -4.886 -5.854 1.00 0.00 N ATOM 336 CA GLY A 25 30.449 -3.403 -5.811 1.00 0.00 C ATOM 337 C GLY A 25 31.175 -2.899 -4.542 1.00 0.00 C ATOM 338 O GLY A 25 32.266 -3.368 -4.212 1.00 0.00 O ATOM 0 H GLY A 25 31.227 -5.365 -5.885 1.00 0.00 H new ATOM 0 HA2 GLY A 25 30.990 -3.062 -6.694 1.00 0.00 H new ATOM 0 HA3 GLY A 25 29.454 -2.960 -5.856 1.00 0.00 H new ATOM 342 N VAL A 26 30.558 -1.946 -3.829 1.00 0.00 N ATOM 343 CA VAL A 26 30.943 -1.610 -2.415 1.00 0.00 C ATOM 344 C VAL A 26 30.225 -2.573 -1.402 1.00 0.00 C ATOM 345 O VAL A 26 30.889 -3.120 -0.521 1.00 0.00 O ATOM 346 CB VAL A 26 30.719 -0.095 -2.054 1.00 0.00 C ATOM 347 CG1 VAL A 26 31.244 0.287 -0.648 1.00 0.00 C ATOM 348 CG2 VAL A 26 31.343 0.909 -3.050 1.00 0.00 C ATOM 0 H VAL A 26 29.788 -1.384 -4.192 1.00 0.00 H new ATOM 0 HA VAL A 26 32.018 -1.769 -2.332 1.00 0.00 H new ATOM 0 HB VAL A 26 29.633 -0.013 -2.096 1.00 0.00 H new ATOM 0 HG11 VAL A 26 31.057 1.345 -0.465 1.00 0.00 H new ATOM 0 HG12 VAL A 26 30.730 -0.308 0.107 1.00 0.00 H new ATOM 0 HG13 VAL A 26 32.315 0.093 -0.595 1.00 0.00 H new ATOM 0 HG21 VAL A 26 31.137 1.927 -2.718 1.00 0.00 H new ATOM 0 HG22 VAL A 26 32.421 0.754 -3.096 1.00 0.00 H new ATOM 0 HG23 VAL A 26 30.912 0.756 -4.039 1.00 0.00 H new ATOM 358 N GLY A 27 28.895 -2.767 -1.516 1.00 0.00 N ATOM 359 CA GLY A 27 28.193 -3.883 -0.838 1.00 0.00 C ATOM 360 C GLY A 27 28.087 -5.209 -1.650 1.00 0.00 C ATOM 361 O GLY A 27 28.467 -5.243 -2.824 1.00 0.00 O ATOM 0 H GLY A 27 28.284 -2.167 -2.070 1.00 0.00 H new ATOM 0 HA2 GLY A 27 28.706 -4.093 0.100 1.00 0.00 H new ATOM 0 HA3 GLY A 27 27.186 -3.553 -0.584 1.00 0.00 H new ATOM 365 N PRO A 28 27.544 -6.324 -1.088 1.00 0.00 N ATOM 366 CA PRO A 28 27.310 -7.582 -1.854 1.00 0.00 C ATOM 367 C PRO A 28 26.184 -7.520 -2.938 1.00 0.00 C ATOM 368 O PRO A 28 25.375 -6.591 -3.002 1.00 0.00 O ATOM 369 CB PRO A 28 26.972 -8.558 -0.706 1.00 0.00 C ATOM 370 CG PRO A 28 26.328 -7.687 0.368 1.00 0.00 C ATOM 371 CD PRO A 28 27.181 -6.430 0.338 1.00 0.00 C ATOM 0 HA PRO A 28 28.165 -7.857 -2.471 1.00 0.00 H new ATOM 0 HB2 PRO A 28 26.292 -9.342 -1.040 1.00 0.00 H new ATOM 0 HB3 PRO A 28 27.868 -9.052 -0.330 1.00 0.00 H new ATOM 0 HG2 PRO A 28 25.283 -7.472 0.142 1.00 0.00 H new ATOM 0 HG3 PRO A 28 26.350 -8.168 1.346 1.00 0.00 H new ATOM 0 HD2 PRO A 28 26.628 -5.556 0.682 1.00 0.00 H new ATOM 0 HD3 PRO A 28 28.061 -6.521 0.975 1.00 0.00 H new ATOM 379 N HIS A 29 26.096 -8.564 -3.772 1.00 0.00 N ATOM 380 CA HIS A 29 24.967 -8.741 -4.721 1.00 0.00 C ATOM 381 C HIS A 29 23.610 -9.060 -3.997 1.00 0.00 C ATOM 382 O HIS A 29 23.521 -9.985 -3.183 1.00 0.00 O ATOM 383 CB HIS A 29 25.363 -9.802 -5.788 1.00 0.00 C ATOM 384 CG HIS A 29 25.641 -11.247 -5.349 1.00 0.00 C ATOM 385 ND1 HIS A 29 26.916 -11.790 -5.269 1.00 0.00 N ATOM 386 CD2 HIS A 29 24.669 -12.250 -5.198 1.00 0.00 C ATOM 387 CE1 HIS A 29 26.582 -13.112 -5.124 1.00 0.00 C ATOM 388 NE2 HIS A 29 25.268 -13.487 -5.038 1.00 0.00 N ATOM 0 H HIS A 29 26.793 -9.308 -3.816 1.00 0.00 H new ATOM 0 HA HIS A 29 24.781 -7.796 -5.232 1.00 0.00 H new ATOM 0 HB2 HIS A 29 24.565 -9.834 -6.530 1.00 0.00 H new ATOM 0 HB3 HIS A 29 26.256 -9.437 -6.296 1.00 0.00 H new ATOM 0 HD1 HIS A 29 27.830 -11.339 -5.307 1.00 0.00 H new ATOM 0 HD2 HIS A 29 23.603 -12.079 -5.206 1.00 0.00 H new ATOM 0 HE1 HIS A 29 27.359 -13.861 -5.077 1.00 0.00 H new ATOM 396 N LEU A 30 22.555 -8.283 -4.293 1.00 0.00 N ATOM 397 CA LEU A 30 21.233 -8.404 -3.596 1.00 0.00 C ATOM 398 C LEU A 30 20.122 -9.211 -4.359 1.00 0.00 C ATOM 399 O LEU A 30 18.941 -9.119 -4.009 1.00 0.00 O ATOM 400 CB LEU A 30 20.753 -6.965 -3.240 1.00 0.00 C ATOM 401 CG LEU A 30 21.583 -6.132 -2.229 1.00 0.00 C ATOM 402 CD1 LEU A 30 20.913 -4.763 -2.018 1.00 0.00 C ATOM 403 CD2 LEU A 30 21.770 -6.809 -0.861 1.00 0.00 C ATOM 0 H LEU A 30 22.577 -7.558 -5.010 1.00 0.00 H new ATOM 0 HA LEU A 30 21.398 -9.009 -2.705 1.00 0.00 H new ATOM 0 HB2 LEU A 30 20.696 -6.397 -4.168 1.00 0.00 H new ATOM 0 HB3 LEU A 30 19.738 -7.042 -2.850 1.00 0.00 H new ATOM 0 HG LEU A 30 22.576 -6.029 -2.667 1.00 0.00 H new ATOM 0 HD11 LEU A 30 21.497 -4.178 -1.307 1.00 0.00 H new ATOM 0 HD12 LEU A 30 20.862 -4.233 -2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 30 19.905 -4.907 -1.628 1.00 0.00 H new ATOM 0 HD21 LEU A 30 22.361 -6.162 -0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 30 20.795 -6.986 -0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 30 22.287 -7.760 -0.993 1.00 0.00 H new ATOM 415 N ASN A 31 20.487 -10.046 -5.351 1.00 0.00 N ATOM 416 CA ASN A 31 19.525 -10.882 -6.128 1.00 0.00 C ATOM 417 C ASN A 31 18.824 -11.975 -5.256 1.00 0.00 C ATOM 418 O ASN A 31 19.456 -12.926 -4.792 1.00 0.00 O ATOM 419 CB ASN A 31 20.191 -11.424 -7.426 1.00 0.00 C ATOM 420 CG ASN A 31 21.506 -12.222 -7.335 1.00 0.00 C ATOM 421 OD1 ASN A 31 21.709 -13.104 -6.508 1.00 0.00 O ATOM 422 ND2 ASN A 31 22.456 -11.938 -8.193 1.00 0.00 N ATOM 0 H ASN A 31 21.457 -10.167 -5.644 1.00 0.00 H new ATOM 0 HA ASN A 31 18.704 -10.241 -6.449 1.00 0.00 H new ATOM 0 HB2 ASN A 31 19.459 -12.058 -7.927 1.00 0.00 H new ATOM 0 HB3 ASN A 31 20.373 -10.571 -8.079 1.00 0.00 H new ATOM 0 HD21 ASN A 31 23.340 -12.447 -8.163 1.00 0.00 H new ATOM 0 HD22 ASN A 31 22.311 -11.208 -8.891 1.00 0.00 H new ATOM 429 N GLY A 32 17.533 -11.787 -4.935 1.00 0.00 N ATOM 430 CA GLY A 32 16.835 -12.634 -3.926 1.00 0.00 C ATOM 431 C GLY A 32 17.337 -12.537 -2.465 1.00 0.00 C ATOM 432 O GLY A 32 17.421 -13.549 -1.770 1.00 0.00 O ATOM 0 H GLY A 32 16.946 -11.064 -5.351 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.776 -12.375 -3.939 1.00 0.00 H new ATOM 0 HA3 GLY A 32 16.913 -13.674 -4.243 1.00 0.00 H new ATOM 436 N VAL A 33 17.643 -11.318 -1.995 1.00 0.00 N ATOM 437 CA VAL A 33 17.959 -11.055 -0.552 1.00 0.00 C ATOM 438 C VAL A 33 16.749 -11.174 0.453 1.00 0.00 C ATOM 439 O VAL A 33 16.964 -11.465 1.633 1.00 0.00 O ATOM 440 CB VAL A 33 18.786 -9.734 -0.418 1.00 0.00 C ATOM 441 CG1 VAL A 33 17.992 -8.447 -0.711 1.00 0.00 C ATOM 442 CG2 VAL A 33 19.460 -9.588 0.963 1.00 0.00 C ATOM 0 H VAL A 33 17.683 -10.485 -2.583 1.00 0.00 H new ATOM 0 HA VAL A 33 18.585 -11.883 -0.219 1.00 0.00 H new ATOM 0 HB VAL A 33 19.546 -9.841 -1.192 1.00 0.00 H new ATOM 0 HG11 VAL A 33 18.645 -7.582 -0.594 1.00 0.00 H new ATOM 0 HG12 VAL A 33 17.612 -8.479 -1.732 1.00 0.00 H new ATOM 0 HG13 VAL A 33 17.157 -8.368 -0.015 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.020 -8.653 0.998 1.00 0.00 H new ATOM 0 HG22 VAL A 33 18.697 -9.583 1.742 1.00 0.00 H new ATOM 0 HG23 VAL A 33 20.140 -10.424 1.126 1.00 0.00 H new ATOM 452 N VAL A 34 15.494 -10.979 0.001 1.00 0.00 N ATOM 453 CA VAL A 34 14.267 -11.160 0.834 1.00 0.00 C ATOM 454 C VAL A 34 14.028 -12.697 1.057 1.00 0.00 C ATOM 455 O VAL A 34 13.619 -13.413 0.138 1.00 0.00 O ATOM 456 CB VAL A 34 13.043 -10.432 0.171 1.00 0.00 C ATOM 457 CG1 VAL A 34 11.782 -10.475 1.065 1.00 0.00 C ATOM 458 CG2 VAL A 34 13.278 -8.946 -0.199 1.00 0.00 C ATOM 0 H VAL A 34 15.292 -10.690 -0.956 1.00 0.00 H new ATOM 0 HA VAL A 34 14.396 -10.700 1.814 1.00 0.00 H new ATOM 0 HB VAL A 34 12.903 -10.998 -0.750 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.963 -9.959 0.564 1.00 0.00 H new ATOM 0 HG12 VAL A 34 11.500 -11.512 1.247 1.00 0.00 H new ATOM 0 HG13 VAL A 34 11.993 -9.984 2.015 1.00 0.00 H new ATOM 0 HG21 VAL A 34 12.374 -8.536 -0.650 1.00 0.00 H new ATOM 0 HG22 VAL A 34 13.523 -8.381 0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.102 -8.874 -0.909 1.00 0.00 H new ATOM 468 N GLY A 35 14.354 -13.199 2.260 1.00 0.00 N ATOM 469 CA GLY A 35 14.547 -14.664 2.494 1.00 0.00 C ATOM 470 C GLY A 35 15.975 -15.276 2.384 1.00 0.00 C ATOM 471 O GLY A 35 16.100 -16.498 2.457 1.00 0.00 O ATOM 0 H GLY A 35 14.492 -12.624 3.091 1.00 0.00 H new ATOM 0 HA2 GLY A 35 14.172 -14.888 3.493 1.00 0.00 H new ATOM 0 HA3 GLY A 35 13.909 -15.195 1.787 1.00 0.00 H new ATOM 475 N ARG A 36 17.037 -14.466 2.248 1.00 0.00 N ATOM 476 CA ARG A 36 18.458 -14.917 2.350 1.00 0.00 C ATOM 477 C ARG A 36 18.988 -14.740 3.812 1.00 0.00 C ATOM 478 O ARG A 36 18.590 -13.795 4.501 1.00 0.00 O ATOM 479 CB ARG A 36 19.227 -14.015 1.341 1.00 0.00 C ATOM 480 CG ARG A 36 20.746 -14.246 1.136 1.00 0.00 C ATOM 481 CD ARG A 36 21.428 -13.147 0.285 1.00 0.00 C ATOM 482 NE ARG A 36 21.149 -13.230 -1.179 1.00 0.00 N ATOM 483 CZ ARG A 36 21.876 -13.916 -2.069 1.00 0.00 C ATOM 484 NH1 ARG A 36 22.935 -14.623 -1.762 1.00 0.00 N ATOM 485 NH2 ARG A 36 21.530 -13.897 -3.322 1.00 0.00 N ATOM 0 H ARG A 36 16.946 -13.467 2.062 1.00 0.00 H new ATOM 0 HA ARG A 36 18.584 -15.975 2.119 1.00 0.00 H new ATOM 0 HB2 ARG A 36 18.744 -14.121 0.370 1.00 0.00 H new ATOM 0 HB3 ARG A 36 19.090 -12.980 1.654 1.00 0.00 H new ATOM 0 HG2 ARG A 36 21.233 -14.295 2.110 1.00 0.00 H new ATOM 0 HG3 ARG A 36 20.897 -15.213 0.655 1.00 0.00 H new ATOM 0 HD2 ARG A 36 21.104 -12.172 0.648 1.00 0.00 H new ATOM 0 HD3 ARG A 36 22.506 -13.203 0.440 1.00 0.00 H new ATOM 0 HE ARG A 36 20.337 -12.722 -1.530 1.00 0.00 H new ATOM 0 HH11 ARG A 36 23.251 -14.674 -0.793 1.00 0.00 H new ATOM 0 HH12 ARG A 36 23.444 -15.123 -2.491 1.00 0.00 H new ATOM 0 HH21 ARG A 36 20.712 -13.363 -3.617 1.00 0.00 H new ATOM 0 HH22 ARG A 36 22.076 -14.416 -4.010 1.00 0.00 H new ATOM 499 N THR A 37 19.946 -15.576 4.274 1.00 0.00 N ATOM 500 CA THR A 37 20.634 -15.343 5.588 1.00 0.00 C ATOM 501 C THR A 37 21.319 -13.939 5.706 1.00 0.00 C ATOM 502 O THR A 37 21.821 -13.372 4.727 1.00 0.00 O ATOM 503 CB THR A 37 21.603 -16.495 5.999 1.00 0.00 C ATOM 504 OG1 THR A 37 21.925 -16.389 7.380 1.00 0.00 O ATOM 505 CG2 THR A 37 22.959 -16.479 5.292 1.00 0.00 C ATOM 0 H THR A 37 20.264 -16.407 3.775 1.00 0.00 H new ATOM 0 HA THR A 37 19.821 -15.347 6.315 1.00 0.00 H new ATOM 0 HB THR A 37 21.061 -17.401 5.729 1.00 0.00 H new ATOM 0 HG1 THR A 37 22.532 -17.116 7.631 1.00 0.00 H new ATOM 0 HG21 THR A 37 23.562 -17.316 5.643 1.00 0.00 H new ATOM 0 HG22 THR A 37 22.809 -16.565 4.216 1.00 0.00 H new ATOM 0 HG23 THR A 37 23.473 -15.544 5.513 1.00 0.00 H new ATOM 513 N VAL A 38 21.431 -13.443 6.941 1.00 0.00 N ATOM 514 CA VAL A 38 22.306 -12.286 7.262 1.00 0.00 C ATOM 515 C VAL A 38 23.807 -12.752 7.268 1.00 0.00 C ATOM 516 O VAL A 38 24.142 -13.846 7.738 1.00 0.00 O ATOM 517 CB VAL A 38 21.824 -11.575 8.572 1.00 0.00 C ATOM 518 CG1 VAL A 38 22.581 -10.248 8.833 1.00 0.00 C ATOM 519 CG2 VAL A 38 20.301 -11.300 8.625 1.00 0.00 C ATOM 0 H VAL A 38 20.929 -13.819 7.746 1.00 0.00 H new ATOM 0 HA VAL A 38 22.234 -11.519 6.491 1.00 0.00 H new ATOM 0 HB VAL A 38 22.056 -12.294 9.358 1.00 0.00 H new ATOM 0 HG11 VAL A 38 22.211 -9.793 9.752 1.00 0.00 H new ATOM 0 HG12 VAL A 38 23.647 -10.451 8.932 1.00 0.00 H new ATOM 0 HG13 VAL A 38 22.417 -9.566 7.999 1.00 0.00 H new ATOM 0 HG21 VAL A 38 20.053 -10.806 9.564 1.00 0.00 H new ATOM 0 HG22 VAL A 38 20.018 -10.657 7.791 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.758 -12.243 8.556 1.00 0.00 H new ATOM 529 N ALA A 39 24.670 -11.950 6.613 1.00 0.00 N ATOM 530 CA ALA A 39 25.969 -12.414 6.035 1.00 0.00 C ATOM 531 C ALA A 39 25.915 -13.451 4.849 1.00 0.00 C ATOM 532 O ALA A 39 26.863 -14.215 4.641 1.00 0.00 O ATOM 533 CB ALA A 39 26.980 -12.767 7.149 1.00 0.00 C ATOM 0 H ALA A 39 24.495 -10.956 6.464 1.00 0.00 H new ATOM 0 HA ALA A 39 26.345 -11.543 5.498 1.00 0.00 H new ATOM 0 HB1 ALA A 39 27.915 -13.101 6.699 1.00 0.00 H new ATOM 0 HB2 ALA A 39 27.167 -11.886 7.763 1.00 0.00 H new ATOM 0 HB3 ALA A 39 26.572 -13.563 7.772 1.00 0.00 H new ATOM 581 N PHE A 44 31.945 -12.113 -0.280 1.00 0.00 N ATOM 582 CA PHE A 44 32.039 -10.786 0.384 1.00 0.00 C ATOM 583 C PHE A 44 32.511 -10.910 1.876 1.00 0.00 C ATOM 584 O PHE A 44 31.994 -11.725 2.648 1.00 0.00 O ATOM 585 CB PHE A 44 30.654 -10.089 0.239 1.00 0.00 C ATOM 586 CG PHE A 44 30.653 -8.609 0.660 1.00 0.00 C ATOM 587 CD1 PHE A 44 31.012 -7.614 -0.254 1.00 0.00 C ATOM 588 CD2 PHE A 44 30.397 -8.256 1.989 1.00 0.00 C ATOM 589 CE1 PHE A 44 31.139 -6.292 0.163 1.00 0.00 C ATOM 590 CE2 PHE A 44 30.533 -6.936 2.408 1.00 0.00 C ATOM 591 CZ PHE A 44 30.902 -5.953 1.494 1.00 0.00 C ATOM 0 HA PHE A 44 32.802 -10.173 -0.096 1.00 0.00 H new ATOM 0 HB2 PHE A 44 30.329 -10.161 -0.799 1.00 0.00 H new ATOM 0 HB3 PHE A 44 29.922 -10.628 0.841 1.00 0.00 H new ATOM 0 HD1 PHE A 44 31.191 -7.872 -1.287 1.00 0.00 H new ATOM 0 HD2 PHE A 44 30.091 -9.014 2.695 1.00 0.00 H new ATOM 0 HE1 PHE A 44 31.422 -5.528 -0.546 1.00 0.00 H new ATOM 0 HE2 PHE A 44 30.353 -6.675 3.440 1.00 0.00 H new ATOM 0 HZ PHE A 44 31.005 -4.927 1.816 1.00 0.00 H new ATOM 601 N ASN A 45 33.464 -10.053 2.288 1.00 0.00 N ATOM 602 CA ASN A 45 33.922 -9.978 3.702 1.00 0.00 C ATOM 603 C ASN A 45 32.966 -9.083 4.562 1.00 0.00 C ATOM 604 O ASN A 45 33.062 -7.853 4.562 1.00 0.00 O ATOM 605 CB ASN A 45 35.401 -9.500 3.689 1.00 0.00 C ATOM 606 CG ASN A 45 36.115 -9.596 5.042 1.00 0.00 C ATOM 607 OD1 ASN A 45 36.162 -8.651 5.821 1.00 0.00 O ATOM 608 ND2 ASN A 45 36.691 -10.727 5.373 1.00 0.00 N ATOM 0 H ASN A 45 33.937 -9.398 1.665 1.00 0.00 H new ATOM 0 HA ASN A 45 33.882 -10.954 4.185 1.00 0.00 H new ATOM 0 HB2 ASN A 45 35.954 -10.091 2.959 1.00 0.00 H new ATOM 0 HB3 ASN A 45 35.431 -8.465 3.350 1.00 0.00 H new ATOM 0 HD21 ASN A 45 37.170 -10.812 6.269 1.00 0.00 H new ATOM 0 HD22 ASN A 45 36.659 -11.521 4.734 1.00 0.00 H new ATOM 615 N TYR A 46 32.047 -9.728 5.296 1.00 0.00 N ATOM 616 CA TYR A 46 31.099 -9.029 6.212 1.00 0.00 C ATOM 617 C TYR A 46 31.719 -8.737 7.626 1.00 0.00 C ATOM 618 O TYR A 46 32.715 -9.346 8.034 1.00 0.00 O ATOM 619 CB TYR A 46 29.805 -9.890 6.336 1.00 0.00 C ATOM 620 CG TYR A 46 28.931 -10.058 5.080 1.00 0.00 C ATOM 621 CD1 TYR A 46 27.908 -9.147 4.803 1.00 0.00 C ATOM 622 CD2 TYR A 46 29.094 -11.174 4.250 1.00 0.00 C ATOM 623 CE1 TYR A 46 27.035 -9.367 3.744 1.00 0.00 C ATOM 624 CE2 TYR A 46 28.231 -11.381 3.177 1.00 0.00 C ATOM 625 CZ TYR A 46 27.186 -10.492 2.940 1.00 0.00 C ATOM 626 OH TYR A 46 26.254 -10.756 1.973 1.00 0.00 O ATOM 0 H TYR A 46 31.931 -10.741 5.280 1.00 0.00 H new ATOM 0 HA TYR A 46 30.865 -8.054 5.785 1.00 0.00 H new ATOM 0 HB2 TYR A 46 30.095 -10.884 6.677 1.00 0.00 H new ATOM 0 HB3 TYR A 46 29.186 -9.453 7.119 1.00 0.00 H new ATOM 0 HD1 TYR A 46 27.795 -8.265 5.416 1.00 0.00 H new ATOM 0 HD2 TYR A 46 29.892 -11.876 4.443 1.00 0.00 H new ATOM 0 HE1 TYR A 46 26.239 -8.664 3.545 1.00 0.00 H new ATOM 0 HE2 TYR A 46 28.372 -12.232 2.528 1.00 0.00 H new ATOM 0 HH TYR A 46 26.501 -11.576 1.496 1.00 0.00 H new ATOM 636 N SER A 47 31.105 -7.823 8.407 1.00 0.00 N ATOM 637 CA SER A 47 31.538 -7.551 9.809 1.00 0.00 C ATOM 638 C SER A 47 31.199 -8.689 10.836 1.00 0.00 C ATOM 639 O SER A 47 30.334 -9.540 10.603 1.00 0.00 O ATOM 640 CB SER A 47 30.994 -6.160 10.236 1.00 0.00 C ATOM 641 OG SER A 47 29.577 -6.132 10.428 1.00 0.00 O ATOM 0 H SER A 47 30.312 -7.260 8.100 1.00 0.00 H new ATOM 0 HA SER A 47 32.628 -7.536 9.822 1.00 0.00 H new ATOM 0 HB2 SER A 47 31.483 -5.857 11.162 1.00 0.00 H new ATOM 0 HB3 SER A 47 31.264 -5.425 9.477 1.00 0.00 H new ATOM 0 HG SER A 47 29.305 -5.238 10.724 1.00 0.00 H new ATOM 647 N ASP A 48 31.879 -8.689 12.002 1.00 0.00 N ATOM 648 CA ASP A 48 31.621 -9.676 13.097 1.00 0.00 C ATOM 649 C ASP A 48 30.143 -9.739 13.645 1.00 0.00 C ATOM 650 O ASP A 48 29.603 -10.849 13.655 1.00 0.00 O ATOM 651 CB ASP A 48 32.660 -9.472 14.243 1.00 0.00 C ATOM 652 CG ASP A 48 33.106 -10.746 14.970 1.00 0.00 C ATOM 653 OD1 ASP A 48 32.665 -11.868 14.740 1.00 0.00 O ATOM 654 OD2 ASP A 48 34.058 -10.479 15.913 1.00 0.00 O ATOM 0 H ASP A 48 32.616 -8.018 12.219 1.00 0.00 H new ATOM 0 HA ASP A 48 31.750 -10.657 12.639 1.00 0.00 H new ATOM 0 HB2 ASP A 48 33.542 -8.986 13.827 1.00 0.00 H new ATOM 0 HB3 ASP A 48 32.235 -8.787 14.977 1.00 0.00 H new ATOM 659 N PRO A 49 29.436 -8.642 14.065 1.00 0.00 N ATOM 660 CA PRO A 49 27.988 -8.709 14.423 1.00 0.00 C ATOM 661 C PRO A 49 26.974 -8.964 13.251 1.00 0.00 C ATOM 662 O PRO A 49 25.884 -9.486 13.494 1.00 0.00 O ATOM 663 CB PRO A 49 27.799 -7.377 15.168 1.00 0.00 C ATOM 664 CG PRO A 49 28.790 -6.412 14.518 1.00 0.00 C ATOM 665 CD PRO A 49 29.965 -7.263 14.052 1.00 0.00 C ATOM 0 HA PRO A 49 27.750 -9.593 15.015 1.00 0.00 H new ATOM 0 HB2 PRO A 49 26.776 -7.014 15.073 1.00 0.00 H new ATOM 0 HB3 PRO A 49 28.000 -7.489 16.233 1.00 0.00 H new ATOM 0 HG2 PRO A 49 28.331 -5.889 13.679 1.00 0.00 H new ATOM 0 HG3 PRO A 49 29.117 -5.652 15.228 1.00 0.00 H new ATOM 0 HD2 PRO A 49 30.297 -6.973 13.055 1.00 0.00 H new ATOM 0 HD3 PRO A 49 30.822 -7.158 14.717 1.00 0.00 H new ATOM 673 N MET A 50 27.343 -8.665 11.990 1.00 0.00 N ATOM 674 CA MET A 50 26.657 -9.212 10.784 1.00 0.00 C ATOM 675 C MET A 50 26.752 -10.772 10.630 1.00 0.00 C ATOM 676 O MET A 50 25.721 -11.435 10.480 1.00 0.00 O ATOM 677 CB MET A 50 27.232 -8.425 9.576 1.00 0.00 C ATOM 678 CG MET A 50 26.498 -8.641 8.248 1.00 0.00 C ATOM 679 SD MET A 50 24.806 -8.049 8.383 1.00 0.00 S ATOM 680 CE MET A 50 24.726 -6.890 7.016 1.00 0.00 C ATOM 0 H MET A 50 28.120 -8.042 11.770 1.00 0.00 H new ATOM 0 HA MET A 50 25.580 -9.067 10.866 1.00 0.00 H new ATOM 0 HB2 MET A 50 27.214 -7.361 9.814 1.00 0.00 H new ATOM 0 HB3 MET A 50 28.277 -8.705 9.445 1.00 0.00 H new ATOM 0 HG2 MET A 50 27.015 -8.113 7.447 1.00 0.00 H new ATOM 0 HG3 MET A 50 26.503 -9.699 7.987 1.00 0.00 H new ATOM 0 HE1 MET A 50 23.694 -6.796 6.679 1.00 0.00 H new ATOM 0 HE2 MET A 50 25.091 -5.916 7.343 1.00 0.00 H new ATOM 0 HE3 MET A 50 25.344 -7.253 6.195 1.00 0.00 H new ATOM 690 N LYS A 51 27.966 -11.351 10.706 1.00 0.00 N ATOM 691 CA LYS A 51 28.178 -12.828 10.788 1.00 0.00 C ATOM 692 C LYS A 51 27.551 -13.535 12.038 1.00 0.00 C ATOM 693 O LYS A 51 26.930 -14.589 11.881 1.00 0.00 O ATOM 694 CB LYS A 51 29.708 -13.090 10.676 1.00 0.00 C ATOM 695 CG LYS A 51 30.306 -12.910 9.259 1.00 0.00 C ATOM 696 CD LYS A 51 31.830 -12.679 9.279 1.00 0.00 C ATOM 697 CE LYS A 51 32.459 -12.738 7.877 1.00 0.00 C ATOM 698 NZ LYS A 51 33.821 -12.171 7.916 1.00 0.00 N ATOM 0 H LYS A 51 28.835 -10.816 10.713 1.00 0.00 H new ATOM 0 HA LYS A 51 27.634 -13.283 9.960 1.00 0.00 H new ATOM 0 HB2 LYS A 51 30.226 -12.418 11.360 1.00 0.00 H new ATOM 0 HB3 LYS A 51 29.912 -14.107 11.013 1.00 0.00 H new ATOM 0 HG2 LYS A 51 30.085 -13.794 8.661 1.00 0.00 H new ATOM 0 HG3 LYS A 51 29.821 -12.065 8.770 1.00 0.00 H new ATOM 0 HD2 LYS A 51 32.040 -11.707 9.726 1.00 0.00 H new ATOM 0 HD3 LYS A 51 32.299 -13.430 9.915 1.00 0.00 H new ATOM 0 HE2 LYS A 51 32.495 -13.770 7.527 1.00 0.00 H new ATOM 0 HE3 LYS A 51 31.844 -12.183 7.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 34.338 -12.451 7.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 33.764 -11.134 7.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 34.322 -12.528 8.755 1.00 0.00 H new ATOM 711 N ALA A 52 27.661 -12.956 13.250 1.00 0.00 N ATOM 712 CA ALA A 52 26.923 -13.441 14.451 1.00 0.00 C ATOM 713 C ALA A 52 25.356 -13.326 14.463 1.00 0.00 C ATOM 714 O ALA A 52 24.723 -14.005 15.275 1.00 0.00 O ATOM 715 CB ALA A 52 27.549 -12.726 15.663 1.00 0.00 C ATOM 0 H ALA A 52 28.255 -12.147 13.432 1.00 0.00 H new ATOM 0 HA ALA A 52 27.043 -14.524 14.465 1.00 0.00 H new ATOM 0 HB1 ALA A 52 27.044 -13.046 16.575 1.00 0.00 H new ATOM 0 HB2 ALA A 52 28.608 -12.978 15.727 1.00 0.00 H new ATOM 0 HB3 ALA A 52 27.439 -11.648 15.546 1.00 0.00 H new ATOM 721 N HIS A 53 24.720 -12.532 13.574 1.00 0.00 N ATOM 722 CA HIS A 53 23.245 -12.576 13.348 1.00 0.00 C ATOM 723 C HIS A 53 22.772 -13.923 12.693 1.00 0.00 C ATOM 724 O HIS A 53 22.014 -14.665 13.324 1.00 0.00 O ATOM 725 CB HIS A 53 22.834 -11.281 12.578 1.00 0.00 C ATOM 726 CG HIS A 53 21.332 -10.950 12.490 1.00 0.00 C ATOM 727 ND1 HIS A 53 20.325 -11.856 12.173 1.00 0.00 N ATOM 728 CD2 HIS A 53 20.791 -9.655 12.610 1.00 0.00 C ATOM 729 CE1 HIS A 53 19.249 -11.009 12.153 1.00 0.00 C ATOM 730 NE2 HIS A 53 19.426 -9.674 12.393 1.00 0.00 N ATOM 0 H HIS A 53 25.203 -11.846 12.994 1.00 0.00 H new ATOM 0 HA HIS A 53 22.714 -12.577 14.300 1.00 0.00 H new ATOM 0 HB2 HIS A 53 23.337 -10.436 13.049 1.00 0.00 H new ATOM 0 HB3 HIS A 53 23.221 -11.357 11.562 1.00 0.00 H new ATOM 0 HD2 HIS A 53 21.364 -8.769 12.840 1.00 0.00 H new ATOM 0 HE1 HIS A 53 18.261 -11.395 11.948 1.00 0.00 H new ATOM 0 HE2 HIS A 53 18.747 -8.913 12.408 1.00 0.00 H new ATOM 738 N GLY A 54 23.188 -14.234 11.446 1.00 0.00 N ATOM 739 CA GLY A 54 22.690 -15.431 10.713 1.00 0.00 C ATOM 740 C GLY A 54 21.204 -15.341 10.292 1.00 0.00 C ATOM 741 O GLY A 54 20.799 -14.369 9.655 1.00 0.00 O ATOM 0 H GLY A 54 23.865 -13.678 10.923 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.301 -15.578 9.822 1.00 0.00 H new ATOM 0 HA3 GLY A 54 22.826 -16.311 11.342 1.00 0.00 H new ATOM 745 N GLY A 55 20.384 -16.346 10.635 1.00 0.00 N ATOM 746 CA GLY A 55 18.900 -16.252 10.500 1.00 0.00 C ATOM 747 C GLY A 55 18.364 -15.993 9.074 1.00 0.00 C ATOM 748 O GLY A 55 18.689 -16.752 8.160 1.00 0.00 O ATOM 0 H GLY A 55 20.711 -17.237 11.009 1.00 0.00 H new ATOM 0 HA2 GLY A 55 18.462 -17.180 10.868 1.00 0.00 H new ATOM 0 HA3 GLY A 55 18.546 -15.452 11.151 1.00 0.00 H new ATOM 752 N ASP A 56 17.579 -14.914 8.885 1.00 0.00 N ATOM 753 CA ASP A 56 17.195 -14.429 7.530 1.00 0.00 C ATOM 754 C ASP A 56 16.851 -12.909 7.482 1.00 0.00 C ATOM 755 O ASP A 56 16.294 -12.329 8.421 1.00 0.00 O ATOM 756 CB ASP A 56 15.988 -15.228 6.949 1.00 0.00 C ATOM 757 CG ASP A 56 16.305 -16.607 6.378 1.00 0.00 C ATOM 758 OD1 ASP A 56 16.999 -16.792 5.386 1.00 0.00 O ATOM 759 OD2 ASP A 56 15.730 -17.612 7.095 1.00 0.00 O ATOM 0 H ASP A 56 17.195 -14.357 9.648 1.00 0.00 H new ATOM 0 HA ASP A 56 18.083 -14.594 6.920 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.244 -15.346 7.737 1.00 0.00 H new ATOM 0 HB3 ASP A 56 15.527 -14.629 6.163 1.00 0.00 H new ATOM 764 N TRP A 57 17.067 -12.305 6.296 1.00 0.00 N ATOM 765 CA TRP A 57 16.450 -11.008 5.923 1.00 0.00 C ATOM 766 C TRP A 57 14.970 -11.164 5.451 1.00 0.00 C ATOM 767 O TRP A 57 14.664 -11.228 4.258 1.00 0.00 O ATOM 768 CB TRP A 57 17.344 -10.276 4.876 1.00 0.00 C ATOM 769 CG TRP A 57 18.553 -9.512 5.435 1.00 0.00 C ATOM 770 CD1 TRP A 57 19.890 -9.697 5.024 1.00 0.00 C ATOM 771 CD2 TRP A 57 18.608 -8.620 6.502 1.00 0.00 C ATOM 772 NE1 TRP A 57 20.783 -8.959 5.828 1.00 0.00 N ATOM 773 CE2 TRP A 57 19.970 -8.341 6.760 1.00 0.00 C ATOM 774 CE3 TRP A 57 17.600 -8.127 7.378 1.00 0.00 C ATOM 775 CZ2 TRP A 57 20.341 -7.679 7.950 1.00 0.00 C ATOM 776 CZ3 TRP A 57 17.991 -7.459 8.535 1.00 0.00 C ATOM 777 CH2 TRP A 57 19.342 -7.261 8.828 1.00 0.00 C ATOM 0 H TRP A 57 17.669 -12.696 5.572 1.00 0.00 H new ATOM 0 HA TRP A 57 16.399 -10.385 6.816 1.00 0.00 H new ATOM 0 HB2 TRP A 57 17.706 -11.013 4.159 1.00 0.00 H new ATOM 0 HB3 TRP A 57 16.720 -9.573 4.324 1.00 0.00 H new ATOM 0 HD1 TRP A 57 20.191 -10.324 4.198 1.00 0.00 H new ATOM 0 HE1 TRP A 57 21.797 -8.896 5.742 1.00 0.00 H new ATOM 0 HE3 TRP A 57 16.554 -8.268 7.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 21.382 -7.499 8.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 17.239 -7.089 9.216 1.00 0.00 H new ATOM 0 HH2 TRP A 57 19.618 -6.775 9.752 1.00 0.00 H new ATOM 788 N THR A 58 14.046 -11.181 6.421 1.00 0.00 N ATOM 789 CA THR A 58 12.576 -11.208 6.166 1.00 0.00 C ATOM 790 C THR A 58 12.007 -9.827 5.662 1.00 0.00 C ATOM 791 O THR A 58 12.603 -8.786 5.978 1.00 0.00 O ATOM 792 CB THR A 58 11.833 -11.667 7.469 1.00 0.00 C ATOM 793 OG1 THR A 58 12.070 -10.776 8.554 1.00 0.00 O ATOM 794 CG2 THR A 58 12.172 -13.084 7.963 1.00 0.00 C ATOM 0 H THR A 58 14.285 -11.177 7.413 1.00 0.00 H new ATOM 0 HA THR A 58 12.398 -11.919 5.360 1.00 0.00 H new ATOM 0 HB THR A 58 10.787 -11.664 7.162 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.590 -11.092 9.348 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.604 -13.299 8.868 1.00 0.00 H new ATOM 0 HG22 THR A 58 11.914 -13.810 7.192 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.238 -13.148 8.180 1.00 0.00 H new ATOM 802 N PRO A 59 10.826 -9.722 4.969 1.00 0.00 N ATOM 803 CA PRO A 59 10.179 -8.399 4.663 1.00 0.00 C ATOM 804 C PRO A 59 9.608 -7.528 5.853 1.00 0.00 C ATOM 805 O PRO A 59 8.800 -6.621 5.643 1.00 0.00 O ATOM 806 CB PRO A 59 9.100 -8.844 3.651 1.00 0.00 C ATOM 807 CG PRO A 59 8.720 -10.267 4.054 1.00 0.00 C ATOM 808 CD PRO A 59 10.047 -10.885 4.487 1.00 0.00 C ATOM 0 HA PRO A 59 10.916 -7.677 4.311 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.234 -8.183 3.685 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.483 -8.815 2.631 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.992 -10.273 4.865 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.276 -10.814 3.222 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.907 -11.628 5.272 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.546 -11.387 3.658 1.00 0.00 H new ATOM 816 N GLU A 60 10.083 -7.780 7.080 1.00 0.00 N ATOM 817 CA GLU A 60 9.815 -6.981 8.312 1.00 0.00 C ATOM 818 C GLU A 60 11.148 -6.653 9.079 1.00 0.00 C ATOM 819 O GLU A 60 11.324 -5.517 9.535 1.00 0.00 O ATOM 820 CB GLU A 60 8.797 -7.719 9.226 1.00 0.00 C ATOM 821 CG GLU A 60 7.352 -7.798 8.670 1.00 0.00 C ATOM 822 CD GLU A 60 6.388 -8.561 9.575 1.00 0.00 C ATOM 823 OE1 GLU A 60 5.856 -7.764 10.548 1.00 0.00 O ATOM 824 OE2 GLU A 60 6.131 -9.753 9.434 1.00 0.00 O ATOM 0 H GLU A 60 10.692 -8.578 7.263 1.00 0.00 H new ATOM 0 HA GLU A 60 9.373 -6.030 8.015 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.158 -8.732 9.402 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.771 -7.218 10.193 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.973 -6.787 8.521 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.374 -8.277 7.691 1.00 0.00 H new ATOM 831 N ALA A 61 12.109 -7.602 9.201 1.00 0.00 N ATOM 832 CA ALA A 61 13.527 -7.294 9.534 1.00 0.00 C ATOM 833 C ALA A 61 14.246 -6.306 8.555 1.00 0.00 C ATOM 834 O ALA A 61 14.838 -5.337 9.032 1.00 0.00 O ATOM 835 CB ALA A 61 14.273 -8.635 9.666 1.00 0.00 C ATOM 0 H ALA A 61 11.927 -8.597 9.073 1.00 0.00 H new ATOM 0 HA ALA A 61 13.538 -6.744 10.475 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.319 -8.447 9.910 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.816 -9.229 10.458 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.213 -9.179 8.723 1.00 0.00 H new ATOM 841 N LEU A 62 14.129 -6.473 7.217 1.00 0.00 N ATOM 842 CA LEU A 62 14.511 -5.411 6.232 1.00 0.00 C ATOM 843 C LEU A 62 13.756 -4.047 6.365 1.00 0.00 C ATOM 844 O LEU A 62 14.382 -3.012 6.155 1.00 0.00 O ATOM 845 CB LEU A 62 14.359 -5.920 4.775 1.00 0.00 C ATOM 846 CG LEU A 62 15.290 -7.062 4.298 1.00 0.00 C ATOM 847 CD1 LEU A 62 14.787 -7.636 2.967 1.00 0.00 C ATOM 848 CD2 LEU A 62 16.735 -6.560 4.115 1.00 0.00 C ATOM 0 H LEU A 62 13.775 -7.327 6.787 1.00 0.00 H new ATOM 0 HA LEU A 62 15.553 -5.205 6.478 1.00 0.00 H new ATOM 0 HB2 LEU A 62 13.329 -6.253 4.644 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.506 -5.070 4.108 1.00 0.00 H new ATOM 0 HG LEU A 62 15.280 -7.839 5.063 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.450 -8.438 2.643 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.779 -8.030 3.098 1.00 0.00 H new ATOM 0 HD13 LEU A 62 14.774 -6.849 2.213 1.00 0.00 H new ATOM 0 HD21 LEU A 62 17.366 -7.383 3.780 1.00 0.00 H new ATOM 0 HD22 LEU A 62 16.752 -5.763 3.371 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.111 -6.178 5.064 1.00 0.00 H new ATOM 860 N GLN A 63 12.456 -4.002 6.716 1.00 0.00 N ATOM 861 CA GLN A 63 11.753 -2.707 7.006 1.00 0.00 C ATOM 862 C GLN A 63 12.210 -1.929 8.290 1.00 0.00 C ATOM 863 O GLN A 63 12.091 -0.699 8.335 1.00 0.00 O ATOM 864 CB GLN A 63 10.213 -2.902 7.024 1.00 0.00 C ATOM 865 CG GLN A 63 9.569 -3.313 5.675 1.00 0.00 C ATOM 866 CD GLN A 63 8.044 -3.173 5.601 1.00 0.00 C ATOM 867 OE1 GLN A 63 7.417 -2.348 6.256 1.00 0.00 O ATOM 868 NE2 GLN A 63 7.396 -3.943 4.763 1.00 0.00 N ATOM 0 H GLN A 63 11.865 -4.828 6.809 1.00 0.00 H new ATOM 0 HA GLN A 63 12.056 -2.067 6.178 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.971 -3.662 7.767 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.752 -1.972 7.357 1.00 0.00 H new ATOM 0 HG2 GLN A 63 10.011 -2.709 4.883 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.831 -4.351 5.468 1.00 0.00 H new ATOM 0 HE21 GLN A 63 7.902 -4.635 4.210 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.385 -3.851 4.663 1.00 0.00 H new ATOM 877 N GLU A 64 12.724 -2.637 9.308 1.00 0.00 N ATOM 878 CA GLU A 64 13.467 -2.043 10.451 1.00 0.00 C ATOM 879 C GLU A 64 14.955 -1.705 10.080 1.00 0.00 C ATOM 880 O GLU A 64 15.393 -0.570 10.285 1.00 0.00 O ATOM 881 CB GLU A 64 13.353 -3.051 11.632 1.00 0.00 C ATOM 882 CG GLU A 64 11.924 -3.281 12.199 1.00 0.00 C ATOM 883 CD GLU A 64 11.785 -4.582 12.984 1.00 0.00 C ATOM 884 OE1 GLU A 64 11.548 -5.655 12.167 1.00 0.00 O ATOM 885 OE2 GLU A 64 11.878 -4.647 14.205 1.00 0.00 O ATOM 0 H GLU A 64 12.639 -3.652 9.369 1.00 0.00 H new ATOM 0 HA GLU A 64 13.035 -1.084 10.735 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.750 -4.011 11.303 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.992 -2.703 12.443 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.659 -2.445 12.846 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.211 -3.285 11.375 1.00 0.00 H new ATOM 892 N PHE A 65 15.712 -2.663 9.501 1.00 0.00 N ATOM 893 CA PHE A 65 17.108 -2.454 9.021 1.00 0.00 C ATOM 894 C PHE A 65 17.278 -1.369 7.923 1.00 0.00 C ATOM 895 O PHE A 65 18.157 -0.527 8.071 1.00 0.00 O ATOM 896 CB PHE A 65 17.642 -3.838 8.575 1.00 0.00 C ATOM 897 CG PHE A 65 19.081 -3.935 8.034 1.00 0.00 C ATOM 898 CD1 PHE A 65 20.179 -3.839 8.896 1.00 0.00 C ATOM 899 CD2 PHE A 65 19.290 -4.304 6.700 1.00 0.00 C ATOM 900 CE1 PHE A 65 21.454 -4.173 8.449 1.00 0.00 C ATOM 901 CE2 PHE A 65 20.564 -4.654 6.263 1.00 0.00 C ATOM 902 CZ PHE A 65 21.637 -4.627 7.148 1.00 0.00 C ATOM 0 H PHE A 65 15.374 -3.613 9.350 1.00 0.00 H new ATOM 0 HA PHE A 65 17.696 -2.045 9.842 1.00 0.00 H new ATOM 0 HB2 PHE A 65 17.563 -4.513 9.427 1.00 0.00 H new ATOM 0 HB3 PHE A 65 16.972 -4.218 7.804 1.00 0.00 H new ATOM 0 HD1 PHE A 65 20.036 -3.504 9.913 1.00 0.00 H new ATOM 0 HD2 PHE A 65 18.461 -4.317 6.008 1.00 0.00 H new ATOM 0 HE1 PHE A 65 22.301 -4.079 9.113 1.00 0.00 H new ATOM 0 HE2 PHE A 65 20.720 -4.947 5.235 1.00 0.00 H new ATOM 0 HZ PHE A 65 22.612 -4.959 6.824 1.00 0.00 H new ATOM 912 N LEU A 66 16.470 -1.327 6.852 1.00 0.00 N ATOM 913 CA LEU A 66 16.568 -0.225 5.850 1.00 0.00 C ATOM 914 C LEU A 66 16.242 1.228 6.328 1.00 0.00 C ATOM 915 O LEU A 66 16.651 2.164 5.646 1.00 0.00 O ATOM 916 CB LEU A 66 15.782 -0.625 4.577 1.00 0.00 C ATOM 917 CG LEU A 66 16.317 -1.865 3.807 1.00 0.00 C ATOM 918 CD1 LEU A 66 15.408 -2.165 2.611 1.00 0.00 C ATOM 919 CD2 LEU A 66 17.772 -1.681 3.342 1.00 0.00 C ATOM 0 H LEU A 66 15.752 -2.022 6.649 1.00 0.00 H new ATOM 0 HA LEU A 66 17.633 -0.133 5.639 1.00 0.00 H new ATOM 0 HB2 LEU A 66 14.746 -0.816 4.859 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.775 0.226 3.896 1.00 0.00 H new ATOM 0 HG LEU A 66 16.307 -2.710 4.495 1.00 0.00 H new ATOM 0 HD11 LEU A 66 15.787 -3.035 2.075 1.00 0.00 H new ATOM 0 HD12 LEU A 66 14.397 -2.369 2.964 1.00 0.00 H new ATOM 0 HD13 LEU A 66 15.392 -1.305 1.942 1.00 0.00 H new ATOM 0 HD21 LEU A 66 18.099 -2.574 2.809 1.00 0.00 H new ATOM 0 HD22 LEU A 66 17.836 -0.819 2.678 1.00 0.00 H new ATOM 0 HD23 LEU A 66 18.413 -1.520 4.209 1.00 0.00 H new ATOM 931 N THR A 67 15.586 1.435 7.481 1.00 0.00 N ATOM 932 CA THR A 67 15.456 2.776 8.137 1.00 0.00 C ATOM 933 C THR A 67 16.523 3.086 9.238 1.00 0.00 C ATOM 934 O THR A 67 16.905 4.248 9.375 1.00 0.00 O ATOM 935 CB THR A 67 13.982 2.935 8.590 1.00 0.00 C ATOM 936 OG1 THR A 67 13.181 2.976 7.423 1.00 0.00 O ATOM 937 CG2 THR A 67 13.608 4.215 9.345 1.00 0.00 C ATOM 0 H THR A 67 15.125 0.686 7.997 1.00 0.00 H new ATOM 0 HA THR A 67 15.693 3.551 7.408 1.00 0.00 H new ATOM 0 HB THR A 67 13.827 2.100 9.274 1.00 0.00 H new ATOM 0 HG1 THR A 67 12.928 3.903 7.232 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.548 4.191 9.599 1.00 0.00 H new ATOM 0 HG22 THR A 67 14.199 4.284 10.258 1.00 0.00 H new ATOM 0 HG23 THR A 67 13.810 5.081 8.715 1.00 0.00 H new ATOM 945 N ASN A 68 16.998 2.107 10.024 1.00 0.00 N ATOM 946 CA ASN A 68 18.137 2.284 10.966 1.00 0.00 C ATOM 947 C ASN A 68 19.081 1.027 10.826 1.00 0.00 C ATOM 948 O ASN A 68 18.979 0.106 11.647 1.00 0.00 O ATOM 949 CB ASN A 68 17.586 2.556 12.397 1.00 0.00 C ATOM 950 CG ASN A 68 17.423 4.003 12.880 1.00 0.00 C ATOM 951 OD1 ASN A 68 17.891 4.371 13.952 1.00 0.00 O ATOM 952 ND2 ASN A 68 16.758 4.875 12.168 1.00 0.00 N ATOM 0 H ASN A 68 16.608 1.164 10.031 1.00 0.00 H new ATOM 0 HA ASN A 68 18.750 3.155 10.734 1.00 0.00 H new ATOM 0 HB2 ASN A 68 16.610 2.076 12.468 1.00 0.00 H new ATOM 0 HB3 ASN A 68 18.244 2.048 13.102 1.00 0.00 H new ATOM 0 HD21 ASN A 68 16.641 5.829 12.509 1.00 0.00 H new ATOM 0 HD22 ASN A 68 16.356 4.601 11.272 1.00 0.00 H new ATOM 959 N PRO A 69 20.025 0.944 9.830 1.00 0.00 N ATOM 960 CA PRO A 69 20.902 -0.249 9.622 1.00 0.00 C ATOM 961 C PRO A 69 21.788 -0.704 10.814 1.00 0.00 C ATOM 962 O PRO A 69 21.840 -1.894 11.138 1.00 0.00 O ATOM 963 CB PRO A 69 21.726 0.138 8.370 1.00 0.00 C ATOM 964 CG PRO A 69 20.868 1.147 7.606 1.00 0.00 C ATOM 965 CD PRO A 69 20.073 1.871 8.686 1.00 0.00 C ATOM 0 HA PRO A 69 20.290 -1.144 9.506 1.00 0.00 H new ATOM 0 HB2 PRO A 69 22.685 0.573 8.651 1.00 0.00 H new ATOM 0 HB3 PRO A 69 21.941 -0.737 7.757 1.00 0.00 H new ATOM 0 HG2 PRO A 69 21.485 1.841 7.036 1.00 0.00 H new ATOM 0 HG3 PRO A 69 20.209 0.649 6.895 1.00 0.00 H new ATOM 0 HD2 PRO A 69 20.552 2.810 8.962 1.00 0.00 H new ATOM 0 HD3 PRO A 69 19.070 2.115 8.337 1.00 0.00 H new ATOM 973 N LYS A 70 22.421 0.268 11.486 1.00 0.00 N ATOM 974 CA LYS A 70 23.141 0.019 12.769 1.00 0.00 C ATOM 975 C LYS A 70 22.282 -0.072 14.088 1.00 0.00 C ATOM 976 O LYS A 70 22.854 -0.272 15.161 1.00 0.00 O ATOM 977 CB LYS A 70 24.346 0.991 12.868 1.00 0.00 C ATOM 978 CG LYS A 70 23.993 2.482 13.062 1.00 0.00 C ATOM 979 CD LYS A 70 25.202 3.406 13.312 1.00 0.00 C ATOM 980 CE LYS A 70 26.103 3.609 12.080 1.00 0.00 C ATOM 981 NZ LYS A 70 27.200 4.541 12.407 1.00 0.00 N ATOM 0 H LYS A 70 22.456 1.238 11.172 1.00 0.00 H new ATOM 0 HA LYS A 70 23.492 -1.011 12.712 1.00 0.00 H new ATOM 0 HB2 LYS A 70 24.976 0.675 13.700 1.00 0.00 H new ATOM 0 HB3 LYS A 70 24.943 0.893 11.961 1.00 0.00 H new ATOM 0 HG2 LYS A 70 23.462 2.833 12.177 1.00 0.00 H new ATOM 0 HG3 LYS A 70 23.305 2.572 13.903 1.00 0.00 H new ATOM 0 HD2 LYS A 70 24.840 4.378 13.648 1.00 0.00 H new ATOM 0 HD3 LYS A 70 25.801 2.991 14.123 1.00 0.00 H new ATOM 0 HE2 LYS A 70 26.512 2.652 11.756 1.00 0.00 H new ATOM 0 HE3 LYS A 70 25.516 4.002 11.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 27.804 4.673 11.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 26.802 5.458 12.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 27.768 4.150 13.186 1.00 0.00 H new ATOM 994 N ALA A 71 20.939 0.020 14.040 1.00 0.00 N ATOM 995 CA ALA A 71 20.058 -0.449 15.148 1.00 0.00 C ATOM 996 C ALA A 71 19.741 -1.981 15.105 1.00 0.00 C ATOM 997 O ALA A 71 19.832 -2.645 16.140 1.00 0.00 O ATOM 998 CB ALA A 71 18.782 0.410 15.124 1.00 0.00 C ATOM 0 H ALA A 71 20.432 0.414 13.248 1.00 0.00 H new ATOM 0 HA ALA A 71 20.588 -0.322 16.092 1.00 0.00 H new ATOM 0 HB1 ALA A 71 18.114 0.092 15.924 1.00 0.00 H new ATOM 0 HB2 ALA A 71 19.046 1.458 15.267 1.00 0.00 H new ATOM 0 HB3 ALA A 71 18.281 0.290 14.164 1.00 0.00 H new ATOM 1004 N VAL A 72 19.392 -2.548 13.929 1.00 0.00 N ATOM 1005 CA VAL A 72 19.225 -4.024 13.751 1.00 0.00 C ATOM 1006 C VAL A 72 20.609 -4.774 13.739 1.00 0.00 C ATOM 1007 O VAL A 72 20.770 -5.735 14.496 1.00 0.00 O ATOM 1008 CB VAL A 72 18.297 -4.311 12.516 1.00 0.00 C ATOM 1009 CG1 VAL A 72 18.186 -5.807 12.151 1.00 0.00 C ATOM 1010 CG2 VAL A 72 16.843 -3.796 12.668 1.00 0.00 C ATOM 0 H VAL A 72 19.218 -2.010 13.080 1.00 0.00 H new ATOM 0 HA VAL A 72 18.712 -4.444 14.616 1.00 0.00 H new ATOM 0 HB VAL A 72 18.808 -3.758 11.727 1.00 0.00 H new ATOM 0 HG11 VAL A 72 17.529 -5.923 11.289 1.00 0.00 H new ATOM 0 HG12 VAL A 72 19.175 -6.197 11.909 1.00 0.00 H new ATOM 0 HG13 VAL A 72 17.776 -6.359 12.997 1.00 0.00 H new ATOM 0 HG21 VAL A 72 16.276 -4.038 11.769 1.00 0.00 H new ATOM 0 HG22 VAL A 72 16.377 -4.272 13.531 1.00 0.00 H new ATOM 0 HG23 VAL A 72 16.853 -2.715 12.811 1.00 0.00 H new ATOM 1020 N VAL A 73 21.590 -4.361 12.908 1.00 0.00 N ATOM 1021 CA VAL A 73 22.983 -4.914 12.966 1.00 0.00 C ATOM 1022 C VAL A 73 23.922 -3.790 13.515 1.00 0.00 C ATOM 1023 O VAL A 73 24.578 -3.081 12.744 1.00 0.00 O ATOM 1024 CB VAL A 73 23.462 -5.470 11.580 1.00 0.00 C ATOM 1025 CG1 VAL A 73 24.878 -6.091 11.632 1.00 0.00 C ATOM 1026 CG2 VAL A 73 22.549 -6.540 10.946 1.00 0.00 C ATOM 0 H VAL A 73 21.456 -3.651 12.188 1.00 0.00 H new ATOM 0 HA VAL A 73 23.010 -5.773 13.636 1.00 0.00 H new ATOM 0 HB VAL A 73 23.440 -4.571 10.965 1.00 0.00 H new ATOM 0 HG11 VAL A 73 25.151 -6.457 10.642 1.00 0.00 H new ATOM 0 HG12 VAL A 73 25.596 -5.335 11.950 1.00 0.00 H new ATOM 0 HG13 VAL A 73 24.886 -6.919 12.340 1.00 0.00 H new ATOM 0 HG21 VAL A 73 22.969 -6.858 9.992 1.00 0.00 H new ATOM 0 HG22 VAL A 73 22.476 -7.398 11.614 1.00 0.00 H new ATOM 0 HG23 VAL A 73 21.556 -6.121 10.784 1.00 0.00 H new ATOM 1036 N LYS A 74 24.029 -3.649 14.847 1.00 0.00 N ATOM 1037 CA LYS A 74 24.971 -2.687 15.488 1.00 0.00 C ATOM 1038 C LYS A 74 26.472 -3.071 15.247 1.00 0.00 C ATOM 1039 O LYS A 74 26.954 -4.115 15.693 1.00 0.00 O ATOM 1040 CB LYS A 74 24.591 -2.466 16.981 1.00 0.00 C ATOM 1041 CG LYS A 74 24.666 -3.647 17.986 1.00 0.00 C ATOM 1042 CD LYS A 74 23.411 -4.544 18.028 1.00 0.00 C ATOM 1043 CE LYS A 74 23.503 -5.628 19.113 1.00 0.00 C ATOM 1044 NZ LYS A 74 22.260 -6.425 19.129 1.00 0.00 N ATOM 0 H LYS A 74 23.475 -4.188 15.513 1.00 0.00 H new ATOM 0 HA LYS A 74 24.865 -1.718 15.001 1.00 0.00 H new ATOM 0 HB2 LYS A 74 25.233 -1.673 17.365 1.00 0.00 H new ATOM 0 HB3 LYS A 74 23.569 -2.087 17.002 1.00 0.00 H new ATOM 0 HG2 LYS A 74 25.528 -4.265 17.735 1.00 0.00 H new ATOM 0 HG3 LYS A 74 24.841 -3.245 18.984 1.00 0.00 H new ATOM 0 HD2 LYS A 74 22.532 -3.926 18.209 1.00 0.00 H new ATOM 0 HD3 LYS A 74 23.273 -5.017 17.056 1.00 0.00 H new ATOM 0 HE2 LYS A 74 24.359 -6.275 18.922 1.00 0.00 H new ATOM 0 HE3 LYS A 74 23.663 -5.167 20.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 22.327 -7.157 19.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 21.451 -5.803 19.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 22.125 -6.877 18.202 1.00 0.00 H new ATOM 1057 N GLY A 75 27.174 -2.249 14.451 1.00 0.00 N ATOM 1058 CA GLY A 75 28.438 -2.664 13.777 1.00 0.00 C ATOM 1059 C GLY A 75 28.331 -3.315 12.369 1.00 0.00 C ATOM 1060 O GLY A 75 29.153 -4.171 12.024 1.00 0.00 O ATOM 0 H GLY A 75 26.896 -1.288 14.251 1.00 0.00 H new ATOM 0 HA2 GLY A 75 29.076 -1.784 13.691 1.00 0.00 H new ATOM 0 HA3 GLY A 75 28.951 -3.367 14.433 1.00 0.00 H new ATOM 1064 N THR A 76 27.394 -2.869 11.515 1.00 0.00 N ATOM 1065 CA THR A 76 27.418 -3.134 10.057 1.00 0.00 C ATOM 1066 C THR A 76 28.435 -2.179 9.362 1.00 0.00 C ATOM 1067 O THR A 76 28.387 -0.960 9.559 1.00 0.00 O ATOM 1068 CB THR A 76 25.964 -3.018 9.495 1.00 0.00 C ATOM 1069 OG1 THR A 76 25.928 -3.495 8.158 1.00 0.00 O ATOM 1070 CG2 THR A 76 25.280 -1.639 9.469 1.00 0.00 C ATOM 0 H THR A 76 26.593 -2.312 11.813 1.00 0.00 H new ATOM 0 HA THR A 76 27.762 -4.147 9.848 1.00 0.00 H new ATOM 0 HB THR A 76 25.405 -3.607 10.222 1.00 0.00 H new ATOM 0 HG1 THR A 76 25.015 -3.423 7.809 1.00 0.00 H new ATOM 0 HG21 THR A 76 24.279 -1.737 9.050 1.00 0.00 H new ATOM 0 HG22 THR A 76 25.212 -1.248 10.484 1.00 0.00 H new ATOM 0 HG23 THR A 76 25.865 -0.954 8.855 1.00 0.00 H new ATOM 1078 N LYS A 77 29.303 -2.701 8.477 1.00 0.00 N ATOM 1079 CA LYS A 77 30.056 -1.831 7.514 1.00 0.00 C ATOM 1080 C LYS A 77 29.221 -1.229 6.316 1.00 0.00 C ATOM 1081 O LYS A 77 29.796 -0.800 5.313 1.00 0.00 O ATOM 1082 CB LYS A 77 31.381 -2.542 7.107 1.00 0.00 C ATOM 1083 CG LYS A 77 31.271 -3.861 6.305 1.00 0.00 C ATOM 1084 CD LYS A 77 32.592 -4.442 5.753 1.00 0.00 C ATOM 1085 CE LYS A 77 33.508 -5.153 6.769 1.00 0.00 C ATOM 1086 NZ LYS A 77 34.353 -4.207 7.522 1.00 0.00 N ATOM 0 H LYS A 77 29.508 -3.697 8.397 1.00 0.00 H new ATOM 0 HA LYS A 77 30.308 -0.912 8.044 1.00 0.00 H new ATOM 0 HB2 LYS A 77 31.972 -1.840 6.519 1.00 0.00 H new ATOM 0 HB3 LYS A 77 31.944 -2.748 8.017 1.00 0.00 H new ATOM 0 HG2 LYS A 77 30.808 -4.612 6.945 1.00 0.00 H new ATOM 0 HG3 LYS A 77 30.594 -3.696 5.467 1.00 0.00 H new ATOM 0 HD2 LYS A 77 32.349 -5.149 4.960 1.00 0.00 H new ATOM 0 HD3 LYS A 77 33.157 -3.630 5.294 1.00 0.00 H new ATOM 0 HE2 LYS A 77 32.897 -5.725 7.467 1.00 0.00 H new ATOM 0 HE3 LYS A 77 34.144 -5.866 6.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 35.191 -4.704 7.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 34.653 -3.434 6.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 33.811 -3.815 8.318 1.00 0.00 H new ATOM 1099 N MET A 78 27.879 -1.127 6.446 1.00 0.00 N ATOM 1100 CA MET A 78 27.004 -0.443 5.462 1.00 0.00 C ATOM 1101 C MET A 78 26.889 1.064 5.847 1.00 0.00 C ATOM 1102 O MET A 78 26.173 1.425 6.788 1.00 0.00 O ATOM 1103 CB MET A 78 25.646 -1.208 5.383 1.00 0.00 C ATOM 1104 CG MET A 78 24.581 -0.527 4.493 1.00 0.00 C ATOM 1105 SD MET A 78 23.450 -1.679 3.598 1.00 0.00 S ATOM 1106 CE MET A 78 21.896 -0.828 4.080 1.00 0.00 C ATOM 0 H MET A 78 27.369 -1.517 7.238 1.00 0.00 H new ATOM 0 HA MET A 78 27.419 -0.461 4.454 1.00 0.00 H new ATOM 0 HB2 MET A 78 25.830 -2.213 5.004 1.00 0.00 H new ATOM 0 HB3 MET A 78 25.245 -1.316 6.391 1.00 0.00 H new ATOM 0 HG2 MET A 78 23.980 0.135 5.116 1.00 0.00 H new ATOM 0 HG3 MET A 78 25.090 0.099 3.760 1.00 0.00 H new ATOM 0 HE1 MET A 78 21.042 -1.383 3.692 1.00 0.00 H new ATOM 0 HE2 MET A 78 21.832 -0.776 5.167 1.00 0.00 H new ATOM 0 HE3 MET A 78 21.891 0.181 3.668 1.00 0.00 H new ATOM 1116 N ALA A 79 27.570 1.945 5.088 1.00 0.00 N ATOM 1117 CA ALA A 79 27.486 3.416 5.297 1.00 0.00 C ATOM 1118 C ALA A 79 26.180 4.052 4.705 1.00 0.00 C ATOM 1119 O ALA A 79 26.188 4.783 3.710 1.00 0.00 O ATOM 1120 CB ALA A 79 28.796 4.004 4.737 1.00 0.00 C ATOM 0 H ALA A 79 28.186 1.670 4.323 1.00 0.00 H new ATOM 0 HA ALA A 79 27.397 3.658 6.356 1.00 0.00 H new ATOM 0 HB1 ALA A 79 28.792 5.087 4.863 1.00 0.00 H new ATOM 0 HB2 ALA A 79 29.644 3.579 5.274 1.00 0.00 H new ATOM 0 HB3 ALA A 79 28.880 3.762 3.677 1.00 0.00 H new ATOM 1126 N PHE A 80 25.047 3.751 5.360 1.00 0.00 N ATOM 1127 CA PHE A 80 23.695 4.168 4.915 1.00 0.00 C ATOM 1128 C PHE A 80 22.888 4.673 6.152 1.00 0.00 C ATOM 1129 O PHE A 80 22.794 3.995 7.181 1.00 0.00 O ATOM 1130 CB PHE A 80 23.033 2.965 4.188 1.00 0.00 C ATOM 1131 CG PHE A 80 21.677 3.261 3.531 1.00 0.00 C ATOM 1132 CD1 PHE A 80 21.596 4.092 2.408 1.00 0.00 C ATOM 1133 CD2 PHE A 80 20.506 2.705 4.056 1.00 0.00 C ATOM 1134 CE1 PHE A 80 20.362 4.368 1.825 1.00 0.00 C ATOM 1135 CE2 PHE A 80 19.275 2.981 3.475 1.00 0.00 C ATOM 1136 CZ PHE A 80 19.204 3.815 2.365 1.00 0.00 C ATOM 0 H PHE A 80 25.037 3.206 6.222 1.00 0.00 H new ATOM 0 HA PHE A 80 23.731 4.997 4.208 1.00 0.00 H new ATOM 0 HB2 PHE A 80 23.718 2.603 3.422 1.00 0.00 H new ATOM 0 HB3 PHE A 80 22.901 2.155 4.906 1.00 0.00 H new ATOM 0 HD1 PHE A 80 22.495 4.521 1.991 1.00 0.00 H new ATOM 0 HD2 PHE A 80 20.559 2.057 4.918 1.00 0.00 H new ATOM 0 HE1 PHE A 80 20.303 5.008 0.957 1.00 0.00 H new ATOM 0 HE2 PHE A 80 18.374 2.548 3.885 1.00 0.00 H new ATOM 0 HZ PHE A 80 18.245 4.035 1.919 1.00 0.00 H new ATOM 1146 N ALA A 81 22.283 5.865 6.036 1.00 0.00 N ATOM 1147 CA ALA A 81 21.507 6.482 7.144 1.00 0.00 C ATOM 1148 C ALA A 81 20.063 5.931 7.371 1.00 0.00 C ATOM 1149 O ALA A 81 19.639 5.830 8.525 1.00 0.00 O ATOM 1150 CB ALA A 81 21.509 8.001 6.887 1.00 0.00 C ATOM 0 H ALA A 81 22.311 6.429 5.187 1.00 0.00 H new ATOM 0 HA ALA A 81 21.997 6.215 8.080 1.00 0.00 H new ATOM 0 HB1 ALA A 81 20.950 8.504 7.676 1.00 0.00 H new ATOM 0 HB2 ALA A 81 22.536 8.367 6.880 1.00 0.00 H new ATOM 0 HB3 ALA A 81 21.043 8.208 5.923 1.00 0.00 H new ATOM 1156 N GLY A 82 19.312 5.608 6.300 1.00 0.00 N ATOM 1157 CA GLY A 82 17.894 5.189 6.435 1.00 0.00 C ATOM 1158 C GLY A 82 16.913 5.640 5.329 1.00 0.00 C ATOM 1159 O GLY A 82 16.895 6.799 4.910 1.00 0.00 O ATOM 0 H GLY A 82 19.655 5.627 5.339 1.00 0.00 H new ATOM 0 HA2 GLY A 82 17.867 4.101 6.486 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.521 5.562 7.389 1.00 0.00 H new ATOM 1163 N LEU A 83 16.002 4.731 4.953 1.00 0.00 N ATOM 1164 CA LEU A 83 14.781 5.058 4.168 1.00 0.00 C ATOM 1165 C LEU A 83 13.629 5.659 5.056 1.00 0.00 C ATOM 1166 O LEU A 83 13.348 5.087 6.118 1.00 0.00 O ATOM 1167 CB LEU A 83 14.274 3.780 3.436 1.00 0.00 C ATOM 1168 CG LEU A 83 15.120 3.275 2.240 1.00 0.00 C ATOM 1169 CD1 LEU A 83 14.511 2.000 1.643 1.00 0.00 C ATOM 1170 CD2 LEU A 83 15.206 4.316 1.117 1.00 0.00 C ATOM 0 H LEU A 83 16.083 3.740 5.181 1.00 0.00 H new ATOM 0 HA LEU A 83 15.057 5.825 3.444 1.00 0.00 H new ATOM 0 HB2 LEU A 83 14.206 2.975 4.167 1.00 0.00 H new ATOM 0 HB3 LEU A 83 13.262 3.973 3.079 1.00 0.00 H new ATOM 0 HG LEU A 83 16.118 3.080 2.633 1.00 0.00 H new ATOM 0 HD11 LEU A 83 15.121 1.663 0.805 1.00 0.00 H new ATOM 0 HD12 LEU A 83 14.479 1.221 2.405 1.00 0.00 H new ATOM 0 HD13 LEU A 83 13.499 2.209 1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 83 15.808 3.920 0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 83 14.204 4.542 0.753 1.00 0.00 H new ATOM 0 HD23 LEU A 83 15.667 5.227 1.499 1.00 0.00 H new ATOM 1182 N PRO A 84 12.914 6.762 4.680 1.00 0.00 N ATOM 1183 CA PRO A 84 11.940 7.431 5.588 1.00 0.00 C ATOM 1184 C PRO A 84 10.514 6.792 5.661 1.00 0.00 C ATOM 1185 O PRO A 84 10.056 6.468 6.760 1.00 0.00 O ATOM 1186 CB PRO A 84 11.980 8.881 5.061 1.00 0.00 C ATOM 1187 CG PRO A 84 12.276 8.764 3.561 1.00 0.00 C ATOM 1188 CD PRO A 84 13.175 7.531 3.444 1.00 0.00 C ATOM 0 HA PRO A 84 12.210 7.335 6.640 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.031 9.388 5.235 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.750 9.462 5.569 1.00 0.00 H new ATOM 0 HG2 PRO A 84 11.359 8.643 2.984 1.00 0.00 H new ATOM 0 HG3 PRO A 84 12.775 9.657 3.184 1.00 0.00 H new ATOM 0 HD2 PRO A 84 12.934 6.947 2.555 1.00 0.00 H new ATOM 0 HD3 PRO A 84 14.225 7.812 3.366 1.00 0.00 H new ATOM 1196 N LYS A 85 9.810 6.608 4.527 1.00 0.00 N ATOM 1197 CA LYS A 85 8.416 6.087 4.516 1.00 0.00 C ATOM 1198 C LYS A 85 8.373 4.529 4.545 1.00 0.00 C ATOM 1199 O LYS A 85 9.236 3.840 3.987 1.00 0.00 O ATOM 1200 CB LYS A 85 7.667 6.607 3.256 1.00 0.00 C ATOM 1201 CG LYS A 85 7.539 8.137 3.055 1.00 0.00 C ATOM 1202 CD LYS A 85 6.685 8.854 4.125 1.00 0.00 C ATOM 1203 CE LYS A 85 6.543 10.373 3.920 1.00 0.00 C ATOM 1204 NZ LYS A 85 5.649 10.705 2.791 1.00 0.00 N ATOM 0 H LYS A 85 10.181 6.812 3.599 1.00 0.00 H new ATOM 0 HA LYS A 85 7.924 6.450 5.418 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.169 6.198 2.379 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.661 6.189 3.272 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.537 8.575 3.051 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.104 8.327 2.074 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.691 8.408 4.136 1.00 0.00 H new ATOM 0 HD3 LYS A 85 7.127 8.673 5.105 1.00 0.00 H new ATOM 0 HE2 LYS A 85 6.156 10.826 4.833 1.00 0.00 H new ATOM 0 HE3 LYS A 85 7.527 10.807 3.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 5.584 11.738 2.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 6.031 10.296 1.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.702 10.315 2.972 1.00 0.00 H new ATOM 1217 N ILE A 86 7.318 3.963 5.156 1.00 0.00 N ATOM 1218 CA ILE A 86 6.972 2.506 5.016 1.00 0.00 C ATOM 1219 C ILE A 86 6.791 2.033 3.527 1.00 0.00 C ATOM 1220 O ILE A 86 7.315 0.982 3.148 1.00 0.00 O ATOM 1221 CB ILE A 86 5.778 2.162 5.983 1.00 0.00 C ATOM 1222 CG1 ILE A 86 5.635 0.654 6.348 1.00 0.00 C ATOM 1223 CG2 ILE A 86 4.405 2.784 5.608 1.00 0.00 C ATOM 1224 CD1 ILE A 86 5.022 -0.302 5.305 1.00 0.00 C ATOM 0 H ILE A 86 6.677 4.481 5.758 1.00 0.00 H new ATOM 0 HA ILE A 86 7.827 1.909 5.334 1.00 0.00 H new ATOM 0 HB ILE A 86 6.096 2.672 6.892 1.00 0.00 H new ATOM 0 HG12 ILE A 86 6.627 0.278 6.599 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.031 0.588 7.253 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.656 2.482 6.340 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.488 3.871 5.601 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.106 2.436 4.619 1.00 0.00 H new ATOM 0 HD11 ILE A 86 4.992 -1.313 5.711 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.009 0.022 5.065 1.00 0.00 H new ATOM 0 HD13 ILE A 86 5.630 -0.292 4.401 1.00 0.00 H new ATOM 1236 N GLU A 87 6.157 2.864 2.673 1.00 0.00 N ATOM 1237 CA GLU A 87 6.126 2.655 1.200 1.00 0.00 C ATOM 1238 C GLU A 87 7.516 2.656 0.482 1.00 0.00 C ATOM 1239 O GLU A 87 7.663 1.905 -0.481 1.00 0.00 O ATOM 1240 CB GLU A 87 5.174 3.684 0.529 1.00 0.00 C ATOM 1241 CG GLU A 87 3.694 3.657 0.992 1.00 0.00 C ATOM 1242 CD GLU A 87 2.783 4.562 0.167 1.00 0.00 C ATOM 1243 OE1 GLU A 87 2.654 5.763 0.388 1.00 0.00 O ATOM 1244 OE2 GLU A 87 2.142 3.886 -0.834 1.00 0.00 O ATOM 0 H GLU A 87 5.653 3.697 2.978 1.00 0.00 H new ATOM 0 HA GLU A 87 5.751 1.639 1.075 1.00 0.00 H new ATOM 0 HB2 GLU A 87 5.570 4.684 0.708 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.198 3.520 -0.548 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.323 2.634 0.937 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.643 3.959 2.038 1.00 0.00 H new ATOM 1251 N ASP A 88 8.536 3.426 0.930 1.00 0.00 N ATOM 1252 CA ASP A 88 9.900 3.373 0.314 1.00 0.00 C ATOM 1253 C ASP A 88 10.578 1.969 0.430 1.00 0.00 C ATOM 1254 O ASP A 88 10.886 1.351 -0.593 1.00 0.00 O ATOM 1255 CB ASP A 88 10.814 4.496 0.883 1.00 0.00 C ATOM 1256 CG ASP A 88 10.495 5.934 0.488 1.00 0.00 C ATOM 1257 OD1 ASP A 88 10.414 6.103 -0.861 1.00 0.00 O ATOM 1258 OD2 ASP A 88 10.366 6.844 1.300 1.00 0.00 O ATOM 0 H ASP A 88 8.451 4.085 1.704 1.00 0.00 H new ATOM 0 HA ASP A 88 9.762 3.549 -0.753 1.00 0.00 H new ATOM 0 HB2 ASP A 88 10.787 4.432 1.971 1.00 0.00 H new ATOM 0 HB3 ASP A 88 11.838 4.283 0.577 1.00 0.00 H new ATOM 1263 N ARG A 89 10.751 1.449 1.659 1.00 0.00 N ATOM 1264 CA ARG A 89 11.193 0.047 1.887 1.00 0.00 C ATOM 1265 C ARG A 89 10.228 -1.079 1.389 1.00 0.00 C ATOM 1266 O ARG A 89 10.730 -2.007 0.758 1.00 0.00 O ATOM 1267 CB ARG A 89 11.718 -0.144 3.331 1.00 0.00 C ATOM 1268 CG ARG A 89 10.792 0.278 4.501 1.00 0.00 C ATOM 1269 CD ARG A 89 11.324 1.475 5.317 1.00 0.00 C ATOM 1270 NE ARG A 89 10.837 1.341 6.724 1.00 0.00 N ATOM 1271 CZ ARG A 89 10.347 2.302 7.497 1.00 0.00 C ATOM 1272 NH1 ARG A 89 10.061 3.498 7.074 1.00 0.00 N ATOM 1273 NH2 ARG A 89 10.173 2.034 8.757 1.00 0.00 N ATOM 0 H ARG A 89 10.592 1.976 2.518 1.00 0.00 H new ATOM 0 HA ARG A 89 12.036 -0.099 1.211 1.00 0.00 H new ATOM 0 HB2 ARG A 89 11.962 -1.198 3.461 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.650 0.413 3.424 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.810 0.531 4.101 1.00 0.00 H new ATOM 0 HG3 ARG A 89 10.655 -0.573 5.169 1.00 0.00 H new ATOM 0 HD2 ARG A 89 12.414 1.496 5.293 1.00 0.00 H new ATOM 0 HD3 ARG A 89 10.978 2.413 4.884 1.00 0.00 H new ATOM 0 HE ARG A 89 10.887 0.409 7.135 1.00 0.00 H new ATOM 0 HH11 ARG A 89 10.211 3.742 6.095 1.00 0.00 H new ATOM 0 HH12 ARG A 89 9.686 4.192 7.721 1.00 0.00 H new ATOM 0 HH21 ARG A 89 10.411 1.111 9.120 1.00 0.00 H new ATOM 0 HH22 ARG A 89 9.798 2.747 9.383 1.00 0.00 H new ATOM 1287 N ALA A 90 8.893 -1.024 1.580 1.00 0.00 N ATOM 1288 CA ALA A 90 7.951 -1.996 0.946 1.00 0.00 C ATOM 1289 C ALA A 90 7.941 -2.075 -0.622 1.00 0.00 C ATOM 1290 O ALA A 90 7.959 -3.178 -1.175 1.00 0.00 O ATOM 1291 CB ALA A 90 6.554 -1.729 1.533 1.00 0.00 C ATOM 0 H ALA A 90 8.436 -0.324 2.164 1.00 0.00 H new ATOM 0 HA ALA A 90 8.317 -2.992 1.195 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.836 -2.421 1.093 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.580 -1.871 2.613 1.00 0.00 H new ATOM 0 HB3 ALA A 90 6.255 -0.705 1.309 1.00 0.00 H new ATOM 1297 N ASN A 91 7.960 -0.932 -1.334 1.00 0.00 N ATOM 1298 CA ASN A 91 8.207 -0.882 -2.813 1.00 0.00 C ATOM 1299 C ASN A 91 9.583 -1.478 -3.271 1.00 0.00 C ATOM 1300 O ASN A 91 9.629 -2.336 -4.158 1.00 0.00 O ATOM 1301 CB ASN A 91 8.029 0.581 -3.319 1.00 0.00 C ATOM 1302 CG ASN A 91 6.619 1.185 -3.243 1.00 0.00 C ATOM 1303 OD1 ASN A 91 5.626 0.535 -2.941 1.00 0.00 O ATOM 1304 ND2 ASN A 91 6.479 2.456 -3.528 1.00 0.00 N ATOM 0 H ASN A 91 7.807 -0.014 -0.916 1.00 0.00 H new ATOM 0 HA ASN A 91 7.464 -1.534 -3.271 1.00 0.00 H new ATOM 0 HB2 ASN A 91 8.701 1.220 -2.747 1.00 0.00 H new ATOM 0 HB3 ASN A 91 8.358 0.621 -4.357 1.00 0.00 H new ATOM 0 HD21 ASN A 91 5.555 2.887 -3.496 1.00 0.00 H new ATOM 0 HD22 ASN A 91 7.294 3.015 -3.782 1.00 0.00 H new ATOM 1311 N LEU A 92 10.690 -1.053 -2.637 1.00 0.00 N ATOM 1312 CA LEU A 92 12.028 -1.699 -2.762 1.00 0.00 C ATOM 1313 C LEU A 92 12.088 -3.235 -2.434 1.00 0.00 C ATOM 1314 O LEU A 92 12.686 -3.992 -3.199 1.00 0.00 O ATOM 1315 CB LEU A 92 12.958 -0.784 -1.909 1.00 0.00 C ATOM 1316 CG LEU A 92 14.469 -1.081 -1.764 1.00 0.00 C ATOM 1317 CD1 LEU A 92 14.721 -2.249 -0.806 1.00 0.00 C ATOM 1318 CD2 LEU A 92 15.187 -1.297 -3.103 1.00 0.00 C ATOM 0 H LEU A 92 10.691 -0.244 -2.015 1.00 0.00 H new ATOM 0 HA LEU A 92 12.353 -1.752 -3.801 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.870 0.224 -2.315 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.542 -0.759 -0.902 1.00 0.00 H new ATOM 0 HG LEU A 92 14.905 -0.180 -1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 92 15.793 -2.430 -0.728 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.321 -2.005 0.178 1.00 0.00 H new ATOM 0 HD13 LEU A 92 14.228 -3.144 -1.186 1.00 0.00 H new ATOM 0 HD21 LEU A 92 16.242 -1.500 -2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 92 14.739 -2.143 -3.624 1.00 0.00 H new ATOM 0 HD23 LEU A 92 15.090 -0.401 -3.716 1.00 0.00 H new ATOM 1330 N ILE A 93 11.472 -3.706 -1.335 1.00 0.00 N ATOM 1331 CA ILE A 93 11.350 -5.161 -0.993 1.00 0.00 C ATOM 1332 C ILE A 93 10.570 -5.986 -2.079 1.00 0.00 C ATOM 1333 O ILE A 93 11.058 -7.046 -2.473 1.00 0.00 O ATOM 1334 CB ILE A 93 10.836 -5.281 0.493 1.00 0.00 C ATOM 1335 CG1 ILE A 93 11.940 -4.877 1.524 1.00 0.00 C ATOM 1336 CG2 ILE A 93 10.274 -6.669 0.887 1.00 0.00 C ATOM 1337 CD1 ILE A 93 11.432 -4.512 2.930 1.00 0.00 C ATOM 0 H ILE A 93 11.037 -3.094 -0.645 1.00 0.00 H new ATOM 0 HA ILE A 93 12.325 -5.647 -1.023 1.00 0.00 H new ATOM 0 HB ILE A 93 10.002 -4.580 0.529 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.647 -5.702 1.615 1.00 0.00 H new ATOM 0 HG13 ILE A 93 12.492 -4.027 1.124 1.00 0.00 H new ATOM 0 HG21 ILE A 93 9.947 -6.648 1.927 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.427 -6.914 0.246 1.00 0.00 H new ATOM 0 HG23 ILE A 93 11.051 -7.424 0.766 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.278 -4.248 3.565 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.750 -3.664 2.862 1.00 0.00 H new ATOM 0 HD13 ILE A 93 10.908 -5.365 3.360 1.00 0.00 H new ATOM 1349 N ALA A 94 9.438 -5.491 -2.620 1.00 0.00 N ATOM 1350 CA ALA A 94 8.837 -6.044 -3.870 1.00 0.00 C ATOM 1351 C ALA A 94 9.768 -6.103 -5.136 1.00 0.00 C ATOM 1352 O ALA A 94 9.807 -7.136 -5.811 1.00 0.00 O ATOM 1353 CB ALA A 94 7.539 -5.258 -4.133 1.00 0.00 C ATOM 0 H ALA A 94 8.916 -4.712 -2.219 1.00 0.00 H new ATOM 0 HA ALA A 94 8.646 -7.103 -3.696 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.065 -5.631 -5.041 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.859 -5.386 -3.290 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.772 -4.200 -4.254 1.00 0.00 H new ATOM 1359 N TYR A 95 10.554 -5.043 -5.425 1.00 0.00 N ATOM 1360 CA TYR A 95 11.677 -5.101 -6.411 1.00 0.00 C ATOM 1361 C TYR A 95 12.777 -6.188 -6.117 1.00 0.00 C ATOM 1362 O TYR A 95 13.102 -6.969 -7.014 1.00 0.00 O ATOM 1363 CB TYR A 95 12.235 -3.655 -6.561 1.00 0.00 C ATOM 1364 CG TYR A 95 13.301 -3.456 -7.653 1.00 0.00 C ATOM 1365 CD1 TYR A 95 12.914 -3.370 -8.993 1.00 0.00 C ATOM 1366 CD2 TYR A 95 14.661 -3.386 -7.326 1.00 0.00 C ATOM 1367 CE1 TYR A 95 13.871 -3.230 -9.993 1.00 0.00 C ATOM 1368 CE2 TYR A 95 15.617 -3.238 -8.330 1.00 0.00 C ATOM 1369 CZ TYR A 95 15.220 -3.151 -9.662 1.00 0.00 C ATOM 1370 OH TYR A 95 16.152 -2.967 -10.649 1.00 0.00 O ATOM 0 H TYR A 95 10.437 -4.127 -4.991 1.00 0.00 H new ATOM 0 HA TYR A 95 11.287 -5.454 -7.366 1.00 0.00 H new ATOM 0 HB2 TYR A 95 11.401 -2.984 -6.768 1.00 0.00 H new ATOM 0 HB3 TYR A 95 12.660 -3.349 -5.605 1.00 0.00 H new ATOM 0 HD1 TYR A 95 11.867 -3.412 -9.254 1.00 0.00 H new ATOM 0 HD2 TYR A 95 14.970 -3.447 -6.293 1.00 0.00 H new ATOM 0 HE1 TYR A 95 13.566 -3.183 -11.028 1.00 0.00 H new ATOM 0 HE2 TYR A 95 16.665 -3.191 -8.075 1.00 0.00 H new ATOM 0 HH TYR A 95 15.808 -2.330 -11.309 1.00 0.00 H new ATOM 1380 N LEU A 96 13.314 -6.267 -4.886 1.00 0.00 N ATOM 1381 CA LEU A 96 14.250 -7.355 -4.460 1.00 0.00 C ATOM 1382 C LEU A 96 13.671 -8.818 -4.433 1.00 0.00 C ATOM 1383 O LEU A 96 14.422 -9.767 -4.672 1.00 0.00 O ATOM 1384 CB LEU A 96 14.855 -6.973 -3.078 1.00 0.00 C ATOM 1385 CG LEU A 96 15.717 -5.683 -2.980 1.00 0.00 C ATOM 1386 CD1 LEU A 96 16.079 -5.401 -1.512 1.00 0.00 C ATOM 1387 CD2 LEU A 96 17.002 -5.757 -3.821 1.00 0.00 C ATOM 0 H LEU A 96 13.120 -5.587 -4.151 1.00 0.00 H new ATOM 0 HA LEU A 96 15.010 -7.408 -5.240 1.00 0.00 H new ATOM 0 HB2 LEU A 96 14.032 -6.877 -2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 96 15.469 -7.809 -2.742 1.00 0.00 H new ATOM 0 HG LEU A 96 15.113 -4.870 -3.383 1.00 0.00 H new ATOM 0 HD11 LEU A 96 16.683 -4.495 -1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 96 15.166 -5.267 -0.932 1.00 0.00 H new ATOM 0 HD13 LEU A 96 16.645 -6.241 -1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 96 17.562 -4.828 -3.712 1.00 0.00 H new ATOM 0 HD22 LEU A 96 17.614 -6.592 -3.478 1.00 0.00 H new ATOM 0 HD23 LEU A 96 16.743 -5.904 -4.869 1.00 0.00 H new ATOM 1399 N GLU A 97 12.360 -9.010 -4.177 1.00 0.00 N ATOM 1400 CA GLU A 97 11.645 -10.297 -4.438 1.00 0.00 C ATOM 1401 C GLU A 97 11.596 -10.717 -5.947 1.00 0.00 C ATOM 1402 O GLU A 97 11.948 -11.856 -6.261 1.00 0.00 O ATOM 1403 CB GLU A 97 10.208 -10.229 -3.840 1.00 0.00 C ATOM 1404 CG GLU A 97 10.126 -10.272 -2.295 1.00 0.00 C ATOM 1405 CD GLU A 97 8.729 -10.027 -1.732 1.00 0.00 C ATOM 1406 OE1 GLU A 97 7.931 -11.129 -1.842 1.00 0.00 O ATOM 1407 OE2 GLU A 97 8.378 -8.963 -1.230 1.00 0.00 O ATOM 0 H GLU A 97 11.760 -8.285 -3.784 1.00 0.00 H new ATOM 0 HA GLU A 97 12.226 -11.075 -3.943 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.732 -9.311 -4.186 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.627 -11.060 -4.240 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.478 -11.245 -1.951 1.00 0.00 H new ATOM 0 HG3 GLU A 97 10.806 -9.525 -1.886 1.00 0.00 H new