USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=15 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 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -179:sc= 0.389 (180deg=0.389) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.0535 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= 1.15 K(o=1.2,f=-4!) USER MOD Single : A 19 LYS NZ :NH3+ -155:sc= 0.601 (180deg=0.337) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 29 HIS : no HE2:sc= 0.765 K(o=0.76,f=-2.4!) USER MOD Single : A 31 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 37 THR OG1 : rot -26:sc= 1.27 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 147:sc= 1.29 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.21 X(o=-0.21,f=-0.46) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0286 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 67 THR OG1 : rot -106:sc= 0.961 USER MOD Single : A 68 ASN : amide:sc= 0.175 X(o=0.18,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+ 146:sc= 0.673 (180deg=0.195) USER MOD Single : A 78 MET CE :methyl -169:sc= -0.0135 (180deg=-0.067) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.909 K(o=-0.91,f=-0.25) USER MOD Single : A 95 TYR OH : rot 147:sc= 0.305 USER MOD ----------------------------------------------------------------- ATOM 29 N ASP A 3 4.811 -2.024 -4.668 1.00 0.00 N ATOM 30 CA ASP A 3 4.824 -1.389 -6.022 1.00 0.00 C ATOM 31 C ASP A 3 6.268 -1.462 -6.642 1.00 0.00 C ATOM 32 O ASP A 3 7.095 -0.600 -6.319 1.00 0.00 O ATOM 33 CB ASP A 3 4.283 0.072 -5.993 1.00 0.00 C ATOM 34 CG ASP A 3 2.917 0.298 -5.340 1.00 0.00 C ATOM 35 OD1 ASP A 3 3.015 0.498 -3.989 1.00 0.00 O ATOM 36 OD2 ASP A 3 1.864 0.304 -5.969 1.00 0.00 O ATOM 0 HA ASP A 3 4.145 -1.953 -6.662 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.013 0.693 -5.473 1.00 0.00 H new ATOM 0 HB3 ASP A 3 4.231 0.434 -7.020 1.00 0.00 H new ATOM 41 N PRO A 4 6.631 -2.416 -7.554 1.00 0.00 N ATOM 42 CA PRO A 4 8.001 -2.480 -8.157 1.00 0.00 C ATOM 43 C PRO A 4 8.395 -1.388 -9.222 1.00 0.00 C ATOM 44 O PRO A 4 9.585 -1.190 -9.496 1.00 0.00 O ATOM 45 CB PRO A 4 8.025 -3.925 -8.693 1.00 0.00 C ATOM 46 CG PRO A 4 6.572 -4.267 -9.031 1.00 0.00 C ATOM 47 CD PRO A 4 5.732 -3.494 -8.012 1.00 0.00 C ATOM 0 HA PRO A 4 8.769 -2.241 -7.421 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.661 -4.005 -9.575 1.00 0.00 H new ATOM 0 HB3 PRO A 4 8.426 -4.612 -7.948 1.00 0.00 H new ATOM 0 HG2 PRO A 4 6.325 -3.972 -10.051 1.00 0.00 H new ATOM 0 HG3 PRO A 4 6.392 -5.340 -8.957 1.00 0.00 H new ATOM 0 HD2 PRO A 4 4.825 -3.093 -8.464 1.00 0.00 H new ATOM 0 HD3 PRO A 4 5.420 -4.132 -7.185 1.00 0.00 H new ATOM 55 N ALA A 5 7.416 -0.643 -9.768 1.00 0.00 N ATOM 56 CA ALA A 5 7.654 0.647 -10.478 1.00 0.00 C ATOM 57 C ALA A 5 8.214 1.823 -9.606 1.00 0.00 C ATOM 58 O ALA A 5 9.086 2.563 -10.065 1.00 0.00 O ATOM 59 CB ALA A 5 6.330 1.016 -11.173 1.00 0.00 C ATOM 0 H ALA A 5 6.432 -0.911 -9.734 1.00 0.00 H new ATOM 0 HA ALA A 5 8.465 0.494 -11.190 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.451 1.957 -11.710 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.057 0.230 -11.877 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.544 1.123 -10.425 1.00 0.00 H new ATOM 65 N ALA A 6 7.764 1.961 -8.346 1.00 0.00 N ATOM 66 CA ALA A 6 8.472 2.783 -7.327 1.00 0.00 C ATOM 67 C ALA A 6 9.755 2.134 -6.695 1.00 0.00 C ATOM 68 O ALA A 6 10.726 2.846 -6.434 1.00 0.00 O ATOM 69 CB ALA A 6 7.419 3.157 -6.271 1.00 0.00 C ATOM 0 H ALA A 6 6.913 1.517 -8.001 1.00 0.00 H new ATOM 0 HA ALA A 6 8.890 3.661 -7.819 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.883 3.764 -5.493 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.616 3.723 -6.743 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.010 2.249 -5.827 1.00 0.00 H new ATOM 75 N GLY A 7 9.798 0.805 -6.474 1.00 0.00 N ATOM 76 CA GLY A 7 10.998 0.106 -5.930 1.00 0.00 C ATOM 77 C GLY A 7 12.303 0.094 -6.755 1.00 0.00 C ATOM 78 O GLY A 7 13.388 0.064 -6.176 1.00 0.00 O ATOM 0 H GLY A 7 9.012 0.183 -6.663 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.226 0.552 -4.962 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.718 -0.931 -5.745 1.00 0.00 H new ATOM 82 N GLU A 8 12.193 0.138 -8.087 1.00 0.00 N ATOM 83 CA GLU A 8 13.358 0.341 -9.003 1.00 0.00 C ATOM 84 C GLU A 8 14.095 1.717 -8.907 1.00 0.00 C ATOM 85 O GLU A 8 15.326 1.770 -8.875 1.00 0.00 O ATOM 86 CB GLU A 8 12.907 -0.006 -10.446 1.00 0.00 C ATOM 87 CG GLU A 8 11.780 0.827 -11.109 1.00 0.00 C ATOM 88 CD GLU A 8 11.182 0.145 -12.335 1.00 0.00 C ATOM 89 OE1 GLU A 8 10.357 -0.894 -11.996 1.00 0.00 O ATOM 90 OE2 GLU A 8 11.427 0.489 -13.488 1.00 0.00 O ATOM 0 H GLU A 8 11.303 0.036 -8.575 1.00 0.00 H new ATOM 0 HA GLU A 8 14.140 -0.340 -8.668 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.785 0.060 -11.089 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.589 -1.048 -10.448 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.991 1.008 -10.379 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.176 1.800 -11.398 1.00 0.00 H new ATOM 97 N LYS A 9 13.333 2.814 -8.824 1.00 0.00 N ATOM 98 CA LYS A 9 13.865 4.168 -8.487 1.00 0.00 C ATOM 99 C LYS A 9 14.328 4.373 -6.999 1.00 0.00 C ATOM 100 O LYS A 9 15.326 5.066 -6.774 1.00 0.00 O ATOM 101 CB LYS A 9 12.883 5.249 -9.017 1.00 0.00 C ATOM 102 CG LYS A 9 11.404 5.119 -8.580 1.00 0.00 C ATOM 103 CD LYS A 9 10.488 6.282 -9.009 1.00 0.00 C ATOM 104 CE LYS A 9 10.128 6.259 -10.505 1.00 0.00 C ATOM 105 NZ LYS A 9 9.220 7.375 -10.826 1.00 0.00 N ATOM 0 H LYS A 9 12.326 2.803 -8.987 1.00 0.00 H new ATOM 0 HA LYS A 9 14.816 4.278 -9.008 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.247 6.225 -8.698 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.918 5.236 -10.106 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.002 4.192 -8.987 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.369 5.032 -7.494 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.570 6.247 -8.422 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.980 7.226 -8.776 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.034 6.333 -11.106 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.654 5.311 -10.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.983 7.350 -11.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.349 7.286 -10.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.686 8.277 -10.602 1.00 0.00 H new ATOM 118 N VAL A 10 13.693 3.720 -6.001 1.00 0.00 N ATOM 119 CA VAL A 10 14.295 3.533 -4.635 1.00 0.00 C ATOM 120 C VAL A 10 15.618 2.666 -4.644 1.00 0.00 C ATOM 121 O VAL A 10 16.574 3.025 -3.950 1.00 0.00 O ATOM 122 CB VAL A 10 13.232 3.030 -3.593 1.00 0.00 C ATOM 123 CG1 VAL A 10 13.793 2.925 -2.154 1.00 0.00 C ATOM 124 CG2 VAL A 10 11.971 3.922 -3.467 1.00 0.00 C ATOM 0 H VAL A 10 12.765 3.309 -6.102 1.00 0.00 H new ATOM 0 HA VAL A 10 14.614 4.521 -4.302 1.00 0.00 H new ATOM 0 HB VAL A 10 12.967 2.055 -4.002 1.00 0.00 H new ATOM 0 HG11 VAL A 10 13.010 2.572 -1.483 1.00 0.00 H new ATOM 0 HG12 VAL A 10 14.627 2.223 -2.139 1.00 0.00 H new ATOM 0 HG13 VAL A 10 14.138 3.905 -1.826 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.296 3.495 -2.725 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.264 4.925 -3.156 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.465 3.974 -4.431 1.00 0.00 H new ATOM 134 N PHE A 11 15.721 1.579 -5.440 1.00 0.00 N ATOM 135 CA PHE A 11 17.016 0.881 -5.703 1.00 0.00 C ATOM 136 C PHE A 11 18.169 1.737 -6.338 1.00 0.00 C ATOM 137 O PHE A 11 19.332 1.448 -6.051 1.00 0.00 O ATOM 138 CB PHE A 11 16.729 -0.422 -6.505 1.00 0.00 C ATOM 139 CG PHE A 11 17.923 -1.389 -6.649 1.00 0.00 C ATOM 140 CD1 PHE A 11 18.498 -1.977 -5.518 1.00 0.00 C ATOM 141 CD2 PHE A 11 18.474 -1.647 -7.909 1.00 0.00 C ATOM 142 CE1 PHE A 11 19.638 -2.765 -5.640 1.00 0.00 C ATOM 143 CE2 PHE A 11 19.605 -2.454 -8.029 1.00 0.00 C ATOM 144 CZ PHE A 11 20.201 -2.991 -6.892 1.00 0.00 C ATOM 0 H PHE A 11 14.924 1.158 -5.917 1.00 0.00 H new ATOM 0 HA PHE A 11 17.433 0.650 -4.723 1.00 0.00 H new ATOM 0 HB2 PHE A 11 15.910 -0.953 -6.021 1.00 0.00 H new ATOM 0 HB3 PHE A 11 16.385 -0.146 -7.502 1.00 0.00 H new ATOM 0 HD1 PHE A 11 18.055 -1.819 -4.546 1.00 0.00 H new ATOM 0 HD2 PHE A 11 18.022 -1.220 -8.792 1.00 0.00 H new ATOM 0 HE1 PHE A 11 20.087 -3.202 -4.761 1.00 0.00 H new ATOM 0 HE2 PHE A 11 20.018 -2.662 -9.005 1.00 0.00 H new ATOM 0 HZ PHE A 11 21.100 -3.583 -6.981 1.00 0.00 H new ATOM 154 N GLY A 12 17.893 2.796 -7.124 1.00 0.00 N ATOM 155 CA GLY A 12 18.936 3.773 -7.564 1.00 0.00 C ATOM 156 C GLY A 12 19.851 4.441 -6.500 1.00 0.00 C ATOM 157 O GLY A 12 21.022 4.699 -6.780 1.00 0.00 O ATOM 0 H GLY A 12 16.958 3.006 -7.473 1.00 0.00 H new ATOM 0 HA2 GLY A 12 19.583 3.262 -8.278 1.00 0.00 H new ATOM 0 HA3 GLY A 12 18.429 4.571 -8.107 1.00 0.00 H new ATOM 161 N LYS A 13 19.339 4.662 -5.278 1.00 0.00 N ATOM 162 CA LYS A 13 20.182 4.985 -4.082 1.00 0.00 C ATOM 163 C LYS A 13 21.149 3.836 -3.603 1.00 0.00 C ATOM 164 O LYS A 13 22.265 4.118 -3.160 1.00 0.00 O ATOM 165 CB LYS A 13 19.285 5.470 -2.902 1.00 0.00 C ATOM 166 CG LYS A 13 18.350 6.685 -3.160 1.00 0.00 C ATOM 167 CD LYS A 13 16.894 6.273 -3.478 1.00 0.00 C ATOM 168 CE LYS A 13 15.967 7.422 -3.911 1.00 0.00 C ATOM 169 NZ LYS A 13 16.112 7.701 -5.354 1.00 0.00 N ATOM 0 H LYS A 13 18.340 4.626 -5.077 1.00 0.00 H new ATOM 0 HA LYS A 13 20.844 5.785 -4.413 1.00 0.00 H new ATOM 0 HB2 LYS A 13 18.666 4.631 -2.584 1.00 0.00 H new ATOM 0 HB3 LYS A 13 19.937 5.720 -2.065 1.00 0.00 H new ATOM 0 HG2 LYS A 13 18.355 7.332 -2.283 1.00 0.00 H new ATOM 0 HG3 LYS A 13 18.745 7.270 -3.990 1.00 0.00 H new ATOM 0 HD2 LYS A 13 16.910 5.523 -4.269 1.00 0.00 H new ATOM 0 HD3 LYS A 13 16.467 5.796 -2.595 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.932 7.163 -3.689 1.00 0.00 H new ATOM 0 HE3 LYS A 13 16.201 8.319 -3.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.490 8.491 -5.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 17.099 7.954 -5.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.849 6.855 -5.899 1.00 0.00 H new ATOM 182 N CYS A 14 20.736 2.557 -3.701 1.00 0.00 N ATOM 183 CA CYS A 14 21.636 1.384 -3.534 1.00 0.00 C ATOM 184 C CYS A 14 22.668 1.129 -4.695 1.00 0.00 C ATOM 185 O CYS A 14 23.776 0.668 -4.413 1.00 0.00 O ATOM 186 CB CYS A 14 20.742 0.132 -3.339 1.00 0.00 C ATOM 187 SG CYS A 14 19.188 0.423 -2.442 1.00 0.00 S ATOM 0 H CYS A 14 19.769 2.301 -3.898 1.00 0.00 H new ATOM 0 HA CYS A 14 22.264 1.600 -2.670 1.00 0.00 H new ATOM 0 HB2 CYS A 14 20.505 -0.282 -4.319 1.00 0.00 H new ATOM 0 HB3 CYS A 14 21.316 -0.625 -2.804 1.00 0.00 H new ATOM 0 HG CYS A 14 18.528 -0.693 -2.344 1.00 0.00 H new ATOM 192 N LYS A 15 22.314 1.400 -5.974 1.00 0.00 N ATOM 193 CA LYS A 15 23.115 1.008 -7.179 1.00 0.00 C ATOM 194 C LYS A 15 24.610 1.446 -7.296 1.00 0.00 C ATOM 195 O LYS A 15 25.383 0.743 -7.952 1.00 0.00 O ATOM 196 CB LYS A 15 22.351 1.442 -8.466 1.00 0.00 C ATOM 197 CG LYS A 15 21.172 0.527 -8.859 1.00 0.00 C ATOM 198 CD LYS A 15 20.434 0.923 -10.156 1.00 0.00 C ATOM 199 CE LYS A 15 21.207 0.581 -11.441 1.00 0.00 C ATOM 200 NZ LYS A 15 20.402 0.931 -12.626 1.00 0.00 N ATOM 0 H LYS A 15 21.458 1.901 -6.210 1.00 0.00 H new ATOM 0 HA LYS A 15 23.204 -0.071 -7.051 1.00 0.00 H new ATOM 0 HB2 LYS A 15 21.975 2.455 -8.324 1.00 0.00 H new ATOM 0 HB3 LYS A 15 23.057 1.478 -9.296 1.00 0.00 H new ATOM 0 HG2 LYS A 15 21.545 -0.491 -8.969 1.00 0.00 H new ATOM 0 HG3 LYS A 15 20.453 0.516 -8.040 1.00 0.00 H new ATOM 0 HD2 LYS A 15 19.467 0.420 -10.180 1.00 0.00 H new ATOM 0 HD3 LYS A 15 20.236 1.995 -10.137 1.00 0.00 H new ATOM 0 HE2 LYS A 15 22.152 1.123 -11.461 1.00 0.00 H new ATOM 0 HE3 LYS A 15 21.449 -0.482 -11.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 20.933 0.696 -13.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 19.511 0.395 -12.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 20.193 1.950 -12.615 1.00 0.00 H new ATOM 213 N ALA A 16 25.033 2.562 -6.678 1.00 0.00 N ATOM 214 CA ALA A 16 26.482 2.876 -6.518 1.00 0.00 C ATOM 215 C ALA A 16 27.307 1.850 -5.665 1.00 0.00 C ATOM 216 O ALA A 16 28.436 1.512 -6.032 1.00 0.00 O ATOM 217 CB ALA A 16 26.572 4.311 -5.963 1.00 0.00 C ATOM 0 H ALA A 16 24.407 3.262 -6.281 1.00 0.00 H new ATOM 0 HA ALA A 16 26.957 2.794 -7.495 1.00 0.00 H new ATOM 0 HB1 ALA A 16 27.619 4.584 -5.829 1.00 0.00 H new ATOM 0 HB2 ALA A 16 26.103 5.002 -6.663 1.00 0.00 H new ATOM 0 HB3 ALA A 16 26.058 4.363 -5.003 1.00 0.00 H new ATOM 223 N CYS A 17 26.735 1.344 -4.557 1.00 0.00 N ATOM 224 CA CYS A 17 27.344 0.255 -3.757 1.00 0.00 C ATOM 225 C CYS A 17 26.949 -1.208 -4.159 1.00 0.00 C ATOM 226 O CYS A 17 27.835 -2.065 -4.147 1.00 0.00 O ATOM 227 CB CYS A 17 27.012 0.533 -2.280 1.00 0.00 C ATOM 228 SG CYS A 17 27.511 2.197 -1.734 1.00 0.00 S ATOM 0 H CYS A 17 25.843 1.673 -4.189 1.00 0.00 H new ATOM 0 HA CYS A 17 28.415 0.277 -3.956 1.00 0.00 H new ATOM 0 HB2 CYS A 17 25.939 0.414 -2.127 1.00 0.00 H new ATOM 0 HB3 CYS A 17 27.508 -0.211 -1.657 1.00 0.00 H new ATOM 0 HG CYS A 17 27.196 2.356 -0.483 1.00 0.00 H new ATOM 233 N HIS A 18 25.665 -1.512 -4.448 1.00 0.00 N ATOM 234 CA HIS A 18 25.166 -2.909 -4.636 1.00 0.00 C ATOM 235 C HIS A 18 24.577 -3.131 -6.061 1.00 0.00 C ATOM 236 O HIS A 18 23.803 -2.306 -6.556 1.00 0.00 O ATOM 237 CB HIS A 18 24.025 -3.198 -3.627 1.00 0.00 C ATOM 238 CG HIS A 18 24.421 -3.354 -2.168 1.00 0.00 C ATOM 239 ND1 HIS A 18 24.618 -4.566 -1.559 1.00 0.00 N ATOM 240 CD2 HIS A 18 24.325 -2.352 -1.204 1.00 0.00 C ATOM 241 CE1 HIS A 18 24.579 -4.210 -0.250 1.00 0.00 C ATOM 242 NE2 HIS A 18 24.457 -2.866 0.089 1.00 0.00 N ATOM 0 H HIS A 18 24.940 -0.804 -4.559 1.00 0.00 H new ATOM 0 HA HIS A 18 26.019 -3.571 -4.485 1.00 0.00 H new ATOM 0 HB2 HIS A 18 23.298 -2.389 -3.697 1.00 0.00 H new ATOM 0 HB3 HIS A 18 23.518 -4.111 -3.940 1.00 0.00 H new ATOM 0 HD1 HIS A 18 24.756 -5.486 -1.977 1.00 0.00 H new ATOM 0 HD2 HIS A 18 24.168 -1.307 -1.428 1.00 0.00 H new ATOM 0 HE1 HIS A 18 24.642 -4.963 0.522 1.00 0.00 H new ATOM 250 N LYS A 19 24.844 -4.298 -6.672 1.00 0.00 N ATOM 251 CA LYS A 19 24.230 -4.679 -7.977 1.00 0.00 C ATOM 252 C LYS A 19 23.507 -6.056 -7.854 1.00 0.00 C ATOM 253 O LYS A 19 23.969 -6.992 -7.194 1.00 0.00 O ATOM 254 CB LYS A 19 25.254 -4.681 -9.151 1.00 0.00 C ATOM 255 CG LYS A 19 26.072 -3.378 -9.373 1.00 0.00 C ATOM 256 CD LYS A 19 27.364 -3.241 -8.526 1.00 0.00 C ATOM 257 CE LYS A 19 27.635 -1.793 -8.084 1.00 0.00 C ATOM 258 NZ LYS A 19 28.883 -1.712 -7.300 1.00 0.00 N ATOM 0 H LYS A 19 25.479 -5.000 -6.292 1.00 0.00 H new ATOM 0 HA LYS A 19 23.493 -3.914 -8.221 1.00 0.00 H new ATOM 0 HB2 LYS A 19 25.956 -5.499 -8.987 1.00 0.00 H new ATOM 0 HB3 LYS A 19 24.714 -4.904 -10.071 1.00 0.00 H new ATOM 0 HG2 LYS A 19 26.343 -3.316 -10.427 1.00 0.00 H new ATOM 0 HG3 LYS A 19 25.427 -2.526 -9.159 1.00 0.00 H new ATOM 0 HD2 LYS A 19 27.284 -3.877 -7.644 1.00 0.00 H new ATOM 0 HD3 LYS A 19 28.213 -3.604 -9.105 1.00 0.00 H new ATOM 0 HE2 LYS A 19 27.707 -1.148 -8.959 1.00 0.00 H new ATOM 0 HE3 LYS A 19 26.800 -1.427 -7.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 28.846 -0.883 -6.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 28.991 -2.574 -6.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 29.693 -1.621 -7.946 1.00 0.00 H new ATOM 271 N LEU A 20 22.374 -6.196 -8.555 1.00 0.00 N ATOM 272 CA LEU A 20 21.668 -7.504 -8.702 1.00 0.00 C ATOM 273 C LEU A 20 22.380 -8.562 -9.611 1.00 0.00 C ATOM 274 O LEU A 20 22.289 -9.757 -9.319 1.00 0.00 O ATOM 275 CB LEU A 20 20.219 -7.205 -9.182 1.00 0.00 C ATOM 276 CG LEU A 20 19.275 -6.604 -8.103 1.00 0.00 C ATOM 277 CD1 LEU A 20 18.125 -5.829 -8.760 1.00 0.00 C ATOM 278 CD2 LEU A 20 18.670 -7.689 -7.203 1.00 0.00 C ATOM 0 H LEU A 20 21.914 -5.423 -9.036 1.00 0.00 H new ATOM 0 HA LEU A 20 21.673 -7.989 -7.726 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.268 -6.515 -10.024 1.00 0.00 H new ATOM 0 HB3 LEU A 20 19.778 -8.130 -9.553 1.00 0.00 H new ATOM 0 HG LEU A 20 19.884 -5.935 -7.495 1.00 0.00 H new ATOM 0 HD11 LEU A 20 17.476 -5.417 -7.987 1.00 0.00 H new ATOM 0 HD12 LEU A 20 18.531 -5.018 -9.364 1.00 0.00 H new ATOM 0 HD13 LEU A 20 17.550 -6.502 -9.396 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.017 -7.226 -6.463 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.093 -8.386 -7.811 1.00 0.00 H new ATOM 0 HD23 LEU A 20 19.470 -8.227 -6.694 1.00 0.00 H new ATOM 290 N ASP A 21 23.100 -8.169 -10.685 1.00 0.00 N ATOM 291 CA ASP A 21 23.600 -9.135 -11.715 1.00 0.00 C ATOM 292 C ASP A 21 24.954 -9.838 -11.335 1.00 0.00 C ATOM 293 O ASP A 21 25.913 -9.823 -12.116 1.00 0.00 O ATOM 294 CB ASP A 21 23.627 -8.336 -13.050 1.00 0.00 C ATOM 295 CG ASP A 21 23.750 -9.150 -14.342 1.00 0.00 C ATOM 296 OD1 ASP A 21 24.942 -9.811 -14.435 1.00 0.00 O ATOM 297 OD2 ASP A 21 22.877 -9.177 -15.204 1.00 0.00 O ATOM 0 H ASP A 21 23.352 -7.198 -10.870 1.00 0.00 H new ATOM 0 HA ASP A 21 22.939 -9.998 -11.802 1.00 0.00 H new ATOM 0 HB2 ASP A 21 22.715 -7.742 -13.109 1.00 0.00 H new ATOM 0 HB3 ASP A 21 24.461 -7.636 -13.009 1.00 0.00 H new ATOM 302 N GLY A 22 25.027 -10.466 -10.148 1.00 0.00 N ATOM 303 CA GLY A 22 26.297 -11.026 -9.600 1.00 0.00 C ATOM 304 C GLY A 22 27.516 -10.087 -9.387 1.00 0.00 C ATOM 305 O GLY A 22 28.649 -10.557 -9.502 1.00 0.00 O ATOM 0 H GLY A 22 24.221 -10.604 -9.539 1.00 0.00 H new ATOM 0 HA2 GLY A 22 26.065 -11.483 -8.638 1.00 0.00 H new ATOM 0 HA3 GLY A 22 26.615 -11.828 -10.266 1.00 0.00 H new ATOM 309 N ASN A 23 27.302 -8.794 -9.082 1.00 0.00 N ATOM 310 CA ASN A 23 28.397 -7.785 -8.983 1.00 0.00 C ATOM 311 C ASN A 23 28.319 -7.046 -7.608 1.00 0.00 C ATOM 312 O ASN A 23 27.245 -6.729 -7.084 1.00 0.00 O ATOM 313 CB ASN A 23 28.450 -6.758 -10.158 1.00 0.00 C ATOM 314 CG ASN A 23 27.818 -7.096 -11.513 1.00 0.00 C ATOM 315 OD1 ASN A 23 26.697 -6.704 -11.819 1.00 0.00 O ATOM 316 ND2 ASN A 23 28.497 -7.833 -12.355 1.00 0.00 N ATOM 0 H ASN A 23 26.375 -8.411 -8.897 1.00 0.00 H new ATOM 0 HA ASN A 23 29.327 -8.349 -9.059 1.00 0.00 H new ATOM 0 HB2 ASN A 23 27.982 -5.839 -9.804 1.00 0.00 H new ATOM 0 HB3 ASN A 23 29.500 -6.531 -10.340 1.00 0.00 H new ATOM 0 HD21 ASN A 23 28.093 -8.078 -13.259 1.00 0.00 H new ATOM 0 HD22 ASN A 23 29.430 -8.162 -12.107 1.00 0.00 H new ATOM 323 N ASP A 24 29.493 -6.778 -7.029 1.00 0.00 N ATOM 324 CA ASP A 24 29.626 -6.450 -5.581 1.00 0.00 C ATOM 325 C ASP A 24 30.228 -5.013 -5.457 1.00 0.00 C ATOM 326 O ASP A 24 29.474 -4.037 -5.500 1.00 0.00 O ATOM 327 CB ASP A 24 30.372 -7.622 -4.858 1.00 0.00 C ATOM 328 CG ASP A 24 29.657 -8.983 -4.837 1.00 0.00 C ATOM 329 OD1 ASP A 24 29.676 -9.606 -6.048 1.00 0.00 O ATOM 330 OD2 ASP A 24 29.114 -9.458 -3.846 1.00 0.00 O ATOM 0 H ASP A 24 30.379 -6.779 -7.534 1.00 0.00 H new ATOM 0 HA ASP A 24 28.675 -6.390 -5.051 1.00 0.00 H new ATOM 0 HB2 ASP A 24 31.343 -7.754 -5.336 1.00 0.00 H new ATOM 0 HB3 ASP A 24 30.562 -7.321 -3.828 1.00 0.00 H new ATOM 335 N GLY A 25 31.562 -4.857 -5.354 1.00 0.00 N ATOM 336 CA GLY A 25 32.215 -3.519 -5.336 1.00 0.00 C ATOM 337 C GLY A 25 32.377 -2.925 -3.926 1.00 0.00 C ATOM 338 O GLY A 25 33.363 -3.216 -3.248 1.00 0.00 O ATOM 0 H GLY A 25 32.215 -5.637 -5.282 1.00 0.00 H new ATOM 0 HA2 GLY A 25 33.197 -3.598 -5.802 1.00 0.00 H new ATOM 0 HA3 GLY A 25 31.629 -2.831 -5.945 1.00 0.00 H new ATOM 342 N VAL A 26 31.401 -2.111 -3.494 1.00 0.00 N ATOM 343 CA VAL A 26 31.319 -1.644 -2.070 1.00 0.00 C ATOM 344 C VAL A 26 30.407 -2.606 -1.240 1.00 0.00 C ATOM 345 O VAL A 26 30.876 -3.135 -0.232 1.00 0.00 O ATOM 346 CB VAL A 26 30.926 -0.130 -1.926 1.00 0.00 C ATOM 347 CG1 VAL A 26 30.952 0.371 -0.460 1.00 0.00 C ATOM 348 CG2 VAL A 26 31.807 0.843 -2.741 1.00 0.00 C ATOM 0 H VAL A 26 30.655 -1.756 -4.093 1.00 0.00 H new ATOM 0 HA VAL A 26 32.323 -1.692 -1.649 1.00 0.00 H new ATOM 0 HB VAL A 26 29.911 -0.117 -2.323 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.671 1.424 -0.430 1.00 0.00 H new ATOM 0 HG12 VAL A 26 30.247 -0.210 0.135 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.956 0.252 -0.053 1.00 0.00 H new ATOM 0 HG21 VAL A 26 31.464 1.865 -2.581 1.00 0.00 H new ATOM 0 HG22 VAL A 26 32.844 0.754 -2.417 1.00 0.00 H new ATOM 0 HG23 VAL A 26 31.736 0.598 -3.801 1.00 0.00 H new ATOM 358 N GLY A 27 29.132 -2.816 -1.624 1.00 0.00 N ATOM 359 CA GLY A 27 28.231 -3.774 -0.942 1.00 0.00 C ATOM 360 C GLY A 27 28.002 -5.116 -1.701 1.00 0.00 C ATOM 361 O GLY A 27 28.036 -5.121 -2.935 1.00 0.00 O ATOM 0 H GLY A 27 28.698 -2.332 -2.410 1.00 0.00 H new ATOM 0 HA2 GLY A 27 28.640 -3.996 0.043 1.00 0.00 H new ATOM 0 HA3 GLY A 27 27.265 -3.293 -0.785 1.00 0.00 H new ATOM 365 N PRO A 28 27.716 -6.271 -1.033 1.00 0.00 N ATOM 366 CA PRO A 28 27.542 -7.579 -1.723 1.00 0.00 C ATOM 367 C PRO A 28 26.232 -7.743 -2.561 1.00 0.00 C ATOM 368 O PRO A 28 25.185 -7.182 -2.229 1.00 0.00 O ATOM 369 CB PRO A 28 27.626 -8.571 -0.547 1.00 0.00 C ATOM 370 CG PRO A 28 27.140 -7.785 0.671 1.00 0.00 C ATOM 371 CD PRO A 28 27.649 -6.371 0.434 1.00 0.00 C ATOM 0 HA PRO A 28 28.292 -7.725 -2.500 1.00 0.00 H new ATOM 0 HB2 PRO A 28 27.003 -9.447 -0.725 1.00 0.00 H new ATOM 0 HB3 PRO A 28 28.646 -8.928 -0.405 1.00 0.00 H new ATOM 0 HG2 PRO A 28 26.053 -7.808 0.752 1.00 0.00 H new ATOM 0 HG3 PRO A 28 27.537 -8.201 1.597 1.00 0.00 H new ATOM 0 HD2 PRO A 28 26.975 -5.626 0.857 1.00 0.00 H new ATOM 0 HD3 PRO A 28 28.626 -6.214 0.892 1.00 0.00 H new ATOM 379 N HIS A 29 26.282 -8.542 -3.641 1.00 0.00 N ATOM 380 CA HIS A 29 25.169 -8.646 -4.633 1.00 0.00 C ATOM 381 C HIS A 29 23.774 -9.077 -4.054 1.00 0.00 C ATOM 382 O HIS A 29 23.672 -10.057 -3.306 1.00 0.00 O ATOM 383 CB HIS A 29 25.632 -9.487 -5.857 1.00 0.00 C ATOM 384 CG HIS A 29 26.091 -10.939 -5.670 1.00 0.00 C ATOM 385 ND1 HIS A 29 27.382 -11.375 -5.947 1.00 0.00 N ATOM 386 CD2 HIS A 29 25.259 -12.027 -5.377 1.00 0.00 C ATOM 387 CE1 HIS A 29 27.200 -12.725 -5.783 1.00 0.00 C ATOM 388 NE2 HIS A 29 25.968 -13.211 -5.442 1.00 0.00 N ATOM 0 H HIS A 29 27.083 -9.134 -3.860 1.00 0.00 H new ATOM 0 HA HIS A 29 24.959 -7.630 -4.968 1.00 0.00 H new ATOM 0 HB2 HIS A 29 24.808 -9.498 -6.571 1.00 0.00 H new ATOM 0 HB3 HIS A 29 26.454 -8.947 -6.327 1.00 0.00 H new ATOM 0 HD1 HIS A 29 28.218 -10.847 -6.198 1.00 0.00 H new ATOM 0 HD2 HIS A 29 24.209 -11.951 -5.134 1.00 0.00 H new ATOM 0 HE1 HIS A 29 28.029 -13.403 -5.923 1.00 0.00 H new ATOM 396 N LEU A 30 22.697 -8.322 -4.359 1.00 0.00 N ATOM 397 CA LEU A 30 21.382 -8.471 -3.652 1.00 0.00 C ATOM 398 C LEU A 30 20.321 -9.391 -4.354 1.00 0.00 C ATOM 399 O LEU A 30 19.134 -9.329 -4.018 1.00 0.00 O ATOM 400 CB LEU A 30 20.836 -7.045 -3.338 1.00 0.00 C ATOM 401 CG LEU A 30 21.623 -6.171 -2.321 1.00 0.00 C ATOM 402 CD1 LEU A 30 20.970 -4.787 -2.195 1.00 0.00 C ATOM 403 CD2 LEU A 30 21.743 -6.779 -0.912 1.00 0.00 C ATOM 0 H LEU A 30 22.700 -7.604 -5.084 1.00 0.00 H new ATOM 0 HA LEU A 30 21.574 -9.021 -2.731 1.00 0.00 H new ATOM 0 HB2 LEU A 30 20.779 -6.495 -4.277 1.00 0.00 H new ATOM 0 HB3 LEU A 30 19.816 -7.152 -2.968 1.00 0.00 H new ATOM 0 HG LEU A 30 22.632 -6.105 -2.727 1.00 0.00 H new ATOM 0 HD11 LEU A 30 21.530 -4.184 -1.480 1.00 0.00 H new ATOM 0 HD12 LEU A 30 20.973 -4.293 -3.167 1.00 0.00 H new ATOM 0 HD13 LEU A 30 19.943 -4.900 -1.848 1.00 0.00 H new ATOM 0 HD21 LEU A 30 22.307 -6.102 -0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 30 20.747 -6.930 -0.495 1.00 0.00 H new ATOM 0 HD23 LEU A 30 22.260 -7.737 -0.972 1.00 0.00 H new ATOM 415 N ASN A 31 20.748 -10.291 -5.263 1.00 0.00 N ATOM 416 CA ASN A 31 19.851 -11.238 -5.992 1.00 0.00 C ATOM 417 C ASN A 31 19.012 -12.195 -5.078 1.00 0.00 C ATOM 418 O ASN A 31 19.533 -13.128 -4.455 1.00 0.00 O ATOM 419 CB ASN A 31 20.644 -11.972 -7.108 1.00 0.00 C ATOM 420 CG ASN A 31 21.890 -12.803 -6.766 1.00 0.00 C ATOM 421 OD1 ASN A 31 22.151 -13.216 -5.641 1.00 0.00 O ATOM 422 ND2 ASN A 31 22.716 -13.067 -7.749 1.00 0.00 N ATOM 0 H ASN A 31 21.730 -10.389 -5.520 1.00 0.00 H new ATOM 0 HA ASN A 31 19.078 -10.634 -6.466 1.00 0.00 H new ATOM 0 HB2 ASN A 31 19.944 -12.636 -7.615 1.00 0.00 H new ATOM 0 HB3 ASN A 31 20.950 -11.218 -7.833 1.00 0.00 H new ATOM 0 HD21 ASN A 31 23.562 -13.609 -7.573 1.00 0.00 H new ATOM 0 HD22 ASN A 31 22.513 -12.730 -8.690 1.00 0.00 H new ATOM 429 N GLY A 32 17.710 -11.888 -4.947 1.00 0.00 N ATOM 430 CA GLY A 32 16.808 -12.599 -4.004 1.00 0.00 C ATOM 431 C GLY A 32 17.052 -12.404 -2.495 1.00 0.00 C ATOM 432 O GLY A 32 16.878 -13.357 -1.739 1.00 0.00 O ATOM 0 H GLY A 32 17.251 -11.150 -5.481 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.785 -12.290 -4.221 1.00 0.00 H new ATOM 0 HA3 GLY A 32 16.872 -13.666 -4.219 1.00 0.00 H new ATOM 436 N VAL A 33 17.421 -11.189 -2.049 1.00 0.00 N ATOM 437 CA VAL A 33 17.732 -10.918 -0.605 1.00 0.00 C ATOM 438 C VAL A 33 16.546 -11.051 0.424 1.00 0.00 C ATOM 439 O VAL A 33 16.790 -11.364 1.593 1.00 0.00 O ATOM 440 CB VAL A 33 18.587 -9.613 -0.462 1.00 0.00 C ATOM 441 CG1 VAL A 33 17.807 -8.303 -0.709 1.00 0.00 C ATOM 442 CG2 VAL A 33 19.309 -9.520 0.903 1.00 0.00 C ATOM 0 H VAL A 33 17.515 -10.373 -2.653 1.00 0.00 H new ATOM 0 HA VAL A 33 18.345 -11.760 -0.283 1.00 0.00 H new ATOM 0 HB VAL A 33 19.324 -9.708 -1.259 1.00 0.00 H new ATOM 0 HG11 VAL A 33 18.478 -7.452 -0.589 1.00 0.00 H new ATOM 0 HG12 VAL A 33 17.402 -8.306 -1.721 1.00 0.00 H new ATOM 0 HG13 VAL A 33 16.990 -8.225 0.008 1.00 0.00 H new ATOM 0 HG21 VAL A 33 19.886 -8.596 0.947 1.00 0.00 H new ATOM 0 HG22 VAL A 33 18.572 -9.526 1.706 1.00 0.00 H new ATOM 0 HG23 VAL A 33 19.979 -10.372 1.019 1.00 0.00 H new ATOM 452 N VAL A 34 15.284 -10.856 0.000 1.00 0.00 N ATOM 453 CA VAL A 34 14.075 -11.067 0.855 1.00 0.00 C ATOM 454 C VAL A 34 13.865 -12.606 1.097 1.00 0.00 C ATOM 455 O VAL A 34 13.516 -13.352 0.177 1.00 0.00 O ATOM 456 CB VAL A 34 12.824 -10.371 0.210 1.00 0.00 C ATOM 457 CG1 VAL A 34 11.564 -10.479 1.100 1.00 0.00 C ATOM 458 CG2 VAL A 34 13.006 -8.868 -0.121 1.00 0.00 C ATOM 0 H VAL A 34 15.061 -10.547 -0.946 1.00 0.00 H new ATOM 0 HA VAL A 34 14.219 -10.602 1.830 1.00 0.00 H new ATOM 0 HB VAL A 34 12.704 -10.922 -0.723 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.728 -9.982 0.608 1.00 0.00 H new ATOM 0 HG12 VAL A 34 11.320 -11.529 1.259 1.00 0.00 H new ATOM 0 HG13 VAL A 34 11.755 -10.002 2.061 1.00 0.00 H new ATOM 0 HG21 VAL A 34 12.088 -8.479 -0.562 1.00 0.00 H new ATOM 0 HG22 VAL A 34 13.231 -8.319 0.793 1.00 0.00 H new ATOM 0 HG23 VAL A 34 13.827 -8.748 -0.827 1.00 0.00 H new ATOM 468 N GLY A 35 14.127 -13.071 2.329 1.00 0.00 N ATOM 469 CA GLY A 35 14.288 -14.525 2.625 1.00 0.00 C ATOM 470 C GLY A 35 15.687 -15.174 2.431 1.00 0.00 C ATOM 471 O GLY A 35 15.754 -16.395 2.278 1.00 0.00 O ATOM 0 H GLY A 35 14.234 -12.469 3.145 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.989 -14.687 3.661 1.00 0.00 H new ATOM 0 HA3 GLY A 35 13.581 -15.070 2.000 1.00 0.00 H new ATOM 475 N ARG A 36 16.787 -14.402 2.477 1.00 0.00 N ATOM 476 CA ARG A 36 18.174 -14.916 2.270 1.00 0.00 C ATOM 477 C ARG A 36 19.075 -14.594 3.502 1.00 0.00 C ATOM 478 O ARG A 36 18.928 -13.538 4.128 1.00 0.00 O ATOM 479 CB ARG A 36 18.715 -14.237 0.986 1.00 0.00 C ATOM 480 CG ARG A 36 19.946 -14.898 0.319 1.00 0.00 C ATOM 481 CD ARG A 36 20.437 -14.160 -0.945 1.00 0.00 C ATOM 482 NE ARG A 36 21.179 -12.923 -0.574 1.00 0.00 N ATOM 483 CZ ARG A 36 21.822 -12.129 -1.428 1.00 0.00 C ATOM 484 NH1 ARG A 36 21.793 -12.271 -2.727 1.00 0.00 N ATOM 485 NH2 ARG A 36 22.535 -11.153 -0.950 1.00 0.00 N ATOM 0 H ARG A 36 16.751 -13.399 2.659 1.00 0.00 H new ATOM 0 HA ARG A 36 18.176 -16.000 2.160 1.00 0.00 H new ATOM 0 HB2 ARG A 36 17.909 -14.202 0.254 1.00 0.00 H new ATOM 0 HB3 ARG A 36 18.971 -13.206 1.228 1.00 0.00 H new ATOM 0 HG2 ARG A 36 20.760 -14.943 1.042 1.00 0.00 H new ATOM 0 HG3 ARG A 36 19.697 -15.926 0.055 1.00 0.00 H new ATOM 0 HD2 ARG A 36 21.082 -14.817 -1.529 1.00 0.00 H new ATOM 0 HD3 ARG A 36 19.587 -13.905 -1.577 1.00 0.00 H new ATOM 0 HE ARG A 36 21.196 -12.664 0.412 1.00 0.00 H new ATOM 0 HH11 ARG A 36 21.253 -13.028 -3.145 1.00 0.00 H new ATOM 0 HH12 ARG A 36 22.311 -11.624 -3.322 1.00 0.00 H new ATOM 0 HH21 ARG A 36 22.592 -11.009 0.058 1.00 0.00 H new ATOM 0 HH22 ARG A 36 23.037 -10.531 -1.583 1.00 0.00 H new ATOM 499 N THR A 37 20.032 -15.480 3.839 1.00 0.00 N ATOM 500 CA THR A 37 20.827 -15.370 5.099 1.00 0.00 C ATOM 501 C THR A 37 21.624 -14.037 5.299 1.00 0.00 C ATOM 502 O THR A 37 22.234 -13.480 4.379 1.00 0.00 O ATOM 503 CB THR A 37 21.646 -16.681 5.320 1.00 0.00 C ATOM 504 OG1 THR A 37 20.747 -17.770 5.530 1.00 0.00 O ATOM 505 CG2 THR A 37 22.608 -16.684 6.518 1.00 0.00 C ATOM 0 H THR A 37 20.281 -16.284 3.262 1.00 0.00 H new ATOM 0 HA THR A 37 20.112 -15.282 5.917 1.00 0.00 H new ATOM 0 HB THR A 37 22.252 -16.767 4.418 1.00 0.00 H new ATOM 0 HG1 THR A 37 19.902 -17.431 5.892 1.00 0.00 H new ATOM 0 HG21 THR A 37 23.120 -17.645 6.571 1.00 0.00 H new ATOM 0 HG22 THR A 37 23.342 -15.887 6.397 1.00 0.00 H new ATOM 0 HG23 THR A 37 22.045 -16.522 7.437 1.00 0.00 H new ATOM 513 N VAL A 38 21.616 -13.563 6.558 1.00 0.00 N ATOM 514 CA VAL A 38 22.434 -12.408 7.011 1.00 0.00 C ATOM 515 C VAL A 38 23.938 -12.850 7.102 1.00 0.00 C ATOM 516 O VAL A 38 24.265 -13.832 7.774 1.00 0.00 O ATOM 517 CB VAL A 38 21.863 -11.832 8.355 1.00 0.00 C ATOM 518 CG1 VAL A 38 22.599 -10.532 8.771 1.00 0.00 C ATOM 519 CG2 VAL A 38 20.337 -11.570 8.400 1.00 0.00 C ATOM 0 H VAL A 38 21.042 -13.967 7.298 1.00 0.00 H new ATOM 0 HA VAL A 38 22.382 -11.591 6.291 1.00 0.00 H new ATOM 0 HB VAL A 38 22.048 -12.641 9.061 1.00 0.00 H new ATOM 0 HG11 VAL A 38 22.179 -10.159 9.705 1.00 0.00 H new ATOM 0 HG12 VAL A 38 23.660 -10.742 8.908 1.00 0.00 H new ATOM 0 HG13 VAL A 38 22.476 -9.779 7.992 1.00 0.00 H new ATOM 0 HG21 VAL A 38 20.065 -11.174 9.378 1.00 0.00 H new ATOM 0 HG22 VAL A 38 20.069 -10.848 7.629 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.802 -12.504 8.225 1.00 0.00 H new ATOM 529 N ALA A 39 24.825 -12.181 6.340 1.00 0.00 N ATOM 530 CA ALA A 39 26.144 -12.750 5.912 1.00 0.00 C ATOM 531 C ALA A 39 26.111 -13.966 4.905 1.00 0.00 C ATOM 532 O ALA A 39 27.000 -14.823 4.921 1.00 0.00 O ATOM 533 CB ALA A 39 27.100 -12.939 7.114 1.00 0.00 C ATOM 0 H ALA A 39 24.660 -11.234 5.998 1.00 0.00 H new ATOM 0 HA ALA A 39 26.571 -11.978 5.272 1.00 0.00 H new ATOM 0 HB1 ALA A 39 28.046 -13.353 6.765 1.00 0.00 H new ATOM 0 HB2 ALA A 39 27.280 -11.975 7.591 1.00 0.00 H new ATOM 0 HB3 ALA A 39 26.649 -13.622 7.834 1.00 0.00 H new ATOM 581 N PHE A 44 32.493 -11.878 -0.035 1.00 0.00 N ATOM 582 CA PHE A 44 32.599 -10.577 0.677 1.00 0.00 C ATOM 583 C PHE A 44 33.014 -10.736 2.187 1.00 0.00 C ATOM 584 O PHE A 44 32.558 -11.645 2.887 1.00 0.00 O ATOM 585 CB PHE A 44 31.225 -9.869 0.487 1.00 0.00 C ATOM 586 CG PHE A 44 31.188 -8.412 0.974 1.00 0.00 C ATOM 587 CD1 PHE A 44 31.626 -7.382 0.138 1.00 0.00 C ATOM 588 CD2 PHE A 44 30.807 -8.117 2.288 1.00 0.00 C ATOM 589 CE1 PHE A 44 31.712 -6.079 0.619 1.00 0.00 C ATOM 590 CE2 PHE A 44 30.900 -6.815 2.769 1.00 0.00 C ATOM 591 CZ PHE A 44 31.351 -5.795 1.934 1.00 0.00 C ATOM 0 HA PHE A 44 33.402 -9.970 0.260 1.00 0.00 H new ATOM 0 HB2 PHE A 44 30.961 -9.893 -0.570 1.00 0.00 H new ATOM 0 HB3 PHE A 44 30.461 -10.436 1.019 1.00 0.00 H new ATOM 0 HD1 PHE A 44 31.899 -7.598 -0.885 1.00 0.00 H new ATOM 0 HD2 PHE A 44 30.439 -8.903 2.931 1.00 0.00 H new ATOM 0 HE1 PHE A 44 32.059 -5.287 -0.028 1.00 0.00 H new ATOM 0 HE2 PHE A 44 30.623 -6.595 3.789 1.00 0.00 H new ATOM 0 HZ PHE A 44 31.421 -4.784 2.306 1.00 0.00 H new ATOM 601 N ASN A 45 33.857 -9.812 2.687 1.00 0.00 N ATOM 602 CA ASN A 45 34.258 -9.774 4.120 1.00 0.00 C ATOM 603 C ASN A 45 33.227 -8.954 4.969 1.00 0.00 C ATOM 604 O ASN A 45 33.230 -7.718 4.957 1.00 0.00 O ATOM 605 CB ASN A 45 35.703 -9.204 4.176 1.00 0.00 C ATOM 606 CG ASN A 45 36.406 -9.361 5.528 1.00 0.00 C ATOM 607 OD1 ASN A 45 37.108 -10.332 5.784 1.00 0.00 O ATOM 608 ND2 ASN A 45 36.243 -8.429 6.436 1.00 0.00 N ATOM 0 H ASN A 45 34.279 -9.075 2.122 1.00 0.00 H new ATOM 0 HA ASN A 45 34.255 -10.770 4.563 1.00 0.00 H new ATOM 0 HB2 ASN A 45 36.303 -9.698 3.412 1.00 0.00 H new ATOM 0 HB3 ASN A 45 35.670 -8.145 3.921 1.00 0.00 H new ATOM 0 HD21 ASN A 45 36.698 -8.517 7.344 1.00 0.00 H new ATOM 0 HD22 ASN A 45 35.661 -7.616 6.234 1.00 0.00 H new ATOM 615 N TYR A 46 32.358 -9.653 5.714 1.00 0.00 N ATOM 616 CA TYR A 46 31.269 -9.014 6.513 1.00 0.00 C ATOM 617 C TYR A 46 31.743 -8.502 7.917 1.00 0.00 C ATOM 618 O TYR A 46 32.851 -8.807 8.373 1.00 0.00 O ATOM 619 CB TYR A 46 30.085 -10.024 6.647 1.00 0.00 C ATOM 620 CG TYR A 46 29.399 -10.465 5.345 1.00 0.00 C ATOM 621 CD1 TYR A 46 28.349 -9.725 4.794 1.00 0.00 C ATOM 622 CD2 TYR A 46 29.840 -11.621 4.694 1.00 0.00 C ATOM 623 CE1 TYR A 46 27.755 -10.133 3.603 1.00 0.00 C ATOM 624 CE2 TYR A 46 29.259 -12.015 3.495 1.00 0.00 C ATOM 625 CZ TYR A 46 28.225 -11.266 2.945 1.00 0.00 C ATOM 626 OH TYR A 46 27.699 -11.632 1.740 1.00 0.00 O ATOM 0 H TYR A 46 32.378 -10.670 5.788 1.00 0.00 H new ATOM 0 HA TYR A 46 30.943 -8.121 5.980 1.00 0.00 H new ATOM 0 HB2 TYR A 46 30.455 -10.915 7.155 1.00 0.00 H new ATOM 0 HB3 TYR A 46 29.330 -9.578 7.294 1.00 0.00 H new ATOM 0 HD1 TYR A 46 27.998 -8.834 5.294 1.00 0.00 H new ATOM 0 HD2 TYR A 46 30.636 -12.210 5.125 1.00 0.00 H new ATOM 0 HE1 TYR A 46 26.930 -9.571 3.190 1.00 0.00 H new ATOM 0 HE2 TYR A 46 29.611 -12.903 2.990 1.00 0.00 H new ATOM 0 HH TYR A 46 28.144 -12.445 1.422 1.00 0.00 H new ATOM 636 N SER A 47 30.892 -7.738 8.637 1.00 0.00 N ATOM 637 CA SER A 47 31.169 -7.376 10.055 1.00 0.00 C ATOM 638 C SER A 47 30.907 -8.548 11.053 1.00 0.00 C ATOM 639 O SER A 47 30.076 -9.433 10.816 1.00 0.00 O ATOM 640 CB SER A 47 30.434 -6.064 10.436 1.00 0.00 C ATOM 641 OG SER A 47 29.049 -6.228 10.750 1.00 0.00 O ATOM 0 H SER A 47 30.018 -7.362 8.271 1.00 0.00 H new ATOM 0 HA SER A 47 32.239 -7.185 10.142 1.00 0.00 H new ATOM 0 HB2 SER A 47 30.937 -5.617 11.293 1.00 0.00 H new ATOM 0 HB3 SER A 47 30.525 -5.359 9.610 1.00 0.00 H new ATOM 0 HG SER A 47 28.790 -5.577 11.435 1.00 0.00 H new ATOM 647 N ASP A 48 31.601 -8.520 12.205 1.00 0.00 N ATOM 648 CA ASP A 48 31.387 -9.511 13.306 1.00 0.00 C ATOM 649 C ASP A 48 29.905 -9.652 13.830 1.00 0.00 C ATOM 650 O ASP A 48 29.456 -10.802 13.885 1.00 0.00 O ATOM 651 CB ASP A 48 32.391 -9.270 14.466 1.00 0.00 C ATOM 652 CG ASP A 48 33.864 -9.489 14.117 1.00 0.00 C ATOM 653 OD1 ASP A 48 34.233 -10.801 14.215 1.00 0.00 O ATOM 654 OD2 ASP A 48 34.616 -8.578 13.783 1.00 0.00 O ATOM 0 H ASP A 48 32.319 -7.825 12.410 1.00 0.00 H new ATOM 0 HA ASP A 48 31.586 -10.480 12.849 1.00 0.00 H new ATOM 0 HB2 ASP A 48 32.268 -8.248 14.823 1.00 0.00 H new ATOM 0 HB3 ASP A 48 32.129 -9.930 15.293 1.00 0.00 H new ATOM 659 N PRO A 49 29.095 -8.597 14.163 1.00 0.00 N ATOM 660 CA PRO A 49 27.639 -8.760 14.436 1.00 0.00 C ATOM 661 C PRO A 49 26.718 -9.105 13.213 1.00 0.00 C ATOM 662 O PRO A 49 25.641 -9.660 13.431 1.00 0.00 O ATOM 663 CB PRO A 49 27.307 -7.434 15.142 1.00 0.00 C ATOM 664 CG PRO A 49 28.257 -6.413 14.520 1.00 0.00 C ATOM 665 CD PRO A 49 29.525 -7.186 14.176 1.00 0.00 C ATOM 0 HA PRO A 49 27.433 -9.649 15.032 1.00 0.00 H new ATOM 0 HB2 PRO A 49 26.266 -7.152 14.985 1.00 0.00 H new ATOM 0 HB3 PRO A 49 27.458 -7.510 16.219 1.00 0.00 H new ATOM 0 HG2 PRO A 49 27.819 -5.963 13.629 1.00 0.00 H new ATOM 0 HG3 PRO A 49 28.470 -5.601 15.216 1.00 0.00 H new ATOM 0 HD2 PRO A 49 29.926 -6.883 13.209 1.00 0.00 H new ATOM 0 HD3 PRO A 49 30.309 -7.015 14.914 1.00 0.00 H new ATOM 673 N MET A 50 27.123 -8.845 11.948 1.00 0.00 N ATOM 674 CA MET A 50 26.457 -9.452 10.754 1.00 0.00 C ATOM 675 C MET A 50 26.658 -11.002 10.632 1.00 0.00 C ATOM 676 O MET A 50 25.676 -11.732 10.470 1.00 0.00 O ATOM 677 CB MET A 50 26.878 -8.684 9.470 1.00 0.00 C ATOM 678 CG MET A 50 25.956 -8.972 8.266 1.00 0.00 C ATOM 679 SD MET A 50 26.231 -7.820 6.914 1.00 0.00 S ATOM 680 CE MET A 50 25.126 -6.493 7.420 1.00 0.00 C ATOM 0 H MET A 50 27.901 -8.225 11.721 1.00 0.00 H new ATOM 0 HA MET A 50 25.381 -9.339 10.889 1.00 0.00 H new ATOM 0 HB2 MET A 50 26.874 -7.614 9.676 1.00 0.00 H new ATOM 0 HB3 MET A 50 27.901 -8.955 9.210 1.00 0.00 H new ATOM 0 HG2 MET A 50 26.126 -9.990 7.915 1.00 0.00 H new ATOM 0 HG3 MET A 50 24.915 -8.915 8.585 1.00 0.00 H new ATOM 0 HE1 MET A 50 25.169 -5.685 6.689 1.00 0.00 H new ATOM 0 HE2 MET A 50 24.106 -6.872 7.482 1.00 0.00 H new ATOM 0 HE3 MET A 50 25.433 -6.116 8.396 1.00 0.00 H new ATOM 690 N LYS A 51 27.906 -11.501 10.755 1.00 0.00 N ATOM 691 CA LYS A 51 28.198 -12.961 10.871 1.00 0.00 C ATOM 692 C LYS A 51 27.558 -13.669 12.117 1.00 0.00 C ATOM 693 O LYS A 51 26.989 -14.752 11.965 1.00 0.00 O ATOM 694 CB LYS A 51 29.738 -13.189 10.837 1.00 0.00 C ATOM 695 CG LYS A 51 30.473 -12.746 9.549 1.00 0.00 C ATOM 696 CD LYS A 51 31.991 -13.025 9.604 1.00 0.00 C ATOM 697 CE LYS A 51 32.791 -12.467 8.412 1.00 0.00 C ATOM 698 NZ LYS A 51 32.545 -13.225 7.169 1.00 0.00 N ATOM 0 H LYS A 51 28.740 -10.915 10.777 1.00 0.00 H new ATOM 0 HA LYS A 51 27.721 -13.432 10.011 1.00 0.00 H new ATOM 0 HB2 LYS A 51 30.180 -12.660 11.681 1.00 0.00 H new ATOM 0 HB3 LYS A 51 29.929 -14.251 10.991 1.00 0.00 H new ATOM 0 HG2 LYS A 51 30.043 -13.266 8.693 1.00 0.00 H new ATOM 0 HG3 LYS A 51 30.309 -11.680 9.390 1.00 0.00 H new ATOM 0 HD2 LYS A 51 32.392 -12.600 10.524 1.00 0.00 H new ATOM 0 HD3 LYS A 51 32.147 -14.102 9.656 1.00 0.00 H new ATOM 0 HE2 LYS A 51 32.525 -11.421 8.256 1.00 0.00 H new ATOM 0 HE3 LYS A 51 33.855 -12.494 8.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 33.104 -12.813 6.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 32.823 -14.218 7.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 31.534 -13.179 6.928 1.00 0.00 H new ATOM 711 N ALA A 52 27.615 -13.062 13.322 1.00 0.00 N ATOM 712 CA ALA A 52 26.864 -13.552 14.513 1.00 0.00 C ATOM 713 C ALA A 52 25.297 -13.467 14.489 1.00 0.00 C ATOM 714 O ALA A 52 24.657 -14.230 15.217 1.00 0.00 O ATOM 715 CB ALA A 52 27.451 -12.820 15.734 1.00 0.00 C ATOM 0 H ALA A 52 28.174 -12.228 13.503 1.00 0.00 H new ATOM 0 HA ALA A 52 27.007 -14.632 14.540 1.00 0.00 H new ATOM 0 HB1 ALA A 52 26.933 -13.145 16.636 1.00 0.00 H new ATOM 0 HB2 ALA A 52 28.512 -13.052 15.821 1.00 0.00 H new ATOM 0 HB3 ALA A 52 27.323 -11.745 15.610 1.00 0.00 H new ATOM 721 N HIS A 53 24.672 -12.600 13.662 1.00 0.00 N ATOM 722 CA HIS A 53 23.207 -12.653 13.379 1.00 0.00 C ATOM 723 C HIS A 53 22.800 -13.952 12.597 1.00 0.00 C ATOM 724 O HIS A 53 22.111 -14.801 13.171 1.00 0.00 O ATOM 725 CB HIS A 53 22.795 -11.297 12.721 1.00 0.00 C ATOM 726 CG HIS A 53 21.300 -11.000 12.497 1.00 0.00 C ATOM 727 ND1 HIS A 53 20.316 -11.951 12.256 1.00 0.00 N ATOM 728 CD2 HIS A 53 20.757 -9.706 12.360 1.00 0.00 C ATOM 729 CE1 HIS A 53 19.254 -11.134 11.987 1.00 0.00 C ATOM 730 NE2 HIS A 53 19.414 -9.775 12.028 1.00 0.00 N ATOM 0 H HIS A 53 25.157 -11.848 13.172 1.00 0.00 H new ATOM 0 HA HIS A 53 22.629 -12.749 14.298 1.00 0.00 H new ATOM 0 HB2 HIS A 53 23.201 -10.495 13.338 1.00 0.00 H new ATOM 0 HB3 HIS A 53 23.291 -11.237 11.752 1.00 0.00 H new ATOM 0 HD2 HIS A 53 21.311 -8.789 12.495 1.00 0.00 H new ATOM 0 HE1 HIS A 53 18.292 -11.559 11.743 1.00 0.00 H new ATOM 0 HE2 HIS A 53 18.739 -9.029 11.862 1.00 0.00 H new ATOM 738 N GLY A 54 23.198 -14.115 11.317 1.00 0.00 N ATOM 739 CA GLY A 54 22.772 -15.285 10.499 1.00 0.00 C ATOM 740 C GLY A 54 21.260 -15.367 10.156 1.00 0.00 C ATOM 741 O GLY A 54 20.527 -14.375 10.183 1.00 0.00 O ATOM 0 H GLY A 54 23.808 -13.461 10.826 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.335 -15.274 9.566 1.00 0.00 H new ATOM 0 HA3 GLY A 54 23.053 -16.195 11.030 1.00 0.00 H new ATOM 745 N GLY A 55 20.780 -16.573 9.824 1.00 0.00 N ATOM 746 CA GLY A 55 19.319 -16.820 9.679 1.00 0.00 C ATOM 747 C GLY A 55 18.747 -16.351 8.331 1.00 0.00 C ATOM 748 O GLY A 55 19.039 -16.988 7.315 1.00 0.00 O ATOM 0 H GLY A 55 21.365 -17.391 9.650 1.00 0.00 H new ATOM 0 HA2 GLY A 55 19.126 -17.886 9.795 1.00 0.00 H new ATOM 0 HA3 GLY A 55 18.791 -16.311 10.485 1.00 0.00 H new ATOM 752 N ASP A 56 17.960 -15.254 8.322 1.00 0.00 N ATOM 753 CA ASP A 56 17.396 -14.675 7.071 1.00 0.00 C ATOM 754 C ASP A 56 17.036 -13.159 7.177 1.00 0.00 C ATOM 755 O ASP A 56 16.564 -12.667 8.207 1.00 0.00 O ATOM 756 CB ASP A 56 16.120 -15.437 6.603 1.00 0.00 C ATOM 757 CG ASP A 56 16.294 -16.841 6.030 1.00 0.00 C ATOM 758 OD1 ASP A 56 17.092 -16.858 4.928 1.00 0.00 O ATOM 759 OD2 ASP A 56 15.760 -17.839 6.499 1.00 0.00 O ATOM 0 H ASP A 56 17.697 -14.746 9.167 1.00 0.00 H new ATOM 0 HA ASP A 56 18.200 -14.786 6.343 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.441 -15.505 7.453 1.00 0.00 H new ATOM 0 HB3 ASP A 56 15.625 -14.827 5.848 1.00 0.00 H new ATOM 764 N TRP A 57 17.147 -12.453 6.034 1.00 0.00 N ATOM 765 CA TRP A 57 16.565 -11.098 5.849 1.00 0.00 C ATOM 766 C TRP A 57 15.052 -11.146 5.464 1.00 0.00 C ATOM 767 O TRP A 57 14.680 -11.157 4.288 1.00 0.00 O ATOM 768 CB TRP A 57 17.413 -10.307 4.804 1.00 0.00 C ATOM 769 CG TRP A 57 18.650 -9.588 5.351 1.00 0.00 C ATOM 770 CD1 TRP A 57 19.975 -9.800 4.918 1.00 0.00 C ATOM 771 CD2 TRP A 57 18.741 -8.721 6.433 1.00 0.00 C ATOM 772 NE1 TRP A 57 20.898 -9.115 5.733 1.00 0.00 N ATOM 773 CE2 TRP A 57 20.113 -8.487 6.685 1.00 0.00 C ATOM 774 CE3 TRP A 57 17.753 -8.220 7.326 1.00 0.00 C ATOM 775 CZ2 TRP A 57 20.511 -7.853 7.883 1.00 0.00 C ATOM 776 CZ3 TRP A 57 18.171 -7.569 8.483 1.00 0.00 C ATOM 777 CH2 TRP A 57 19.530 -7.409 8.769 1.00 0.00 C ATOM 0 H TRP A 57 17.640 -12.800 5.212 1.00 0.00 H new ATOM 0 HA TRP A 57 16.606 -10.573 6.803 1.00 0.00 H new ATOM 0 HB2 TRP A 57 17.734 -11.000 4.026 1.00 0.00 H new ATOM 0 HB3 TRP A 57 16.769 -9.568 4.327 1.00 0.00 H new ATOM 0 HD1 TRP A 57 20.248 -10.410 4.069 1.00 0.00 H new ATOM 0 HE1 TRP A 57 21.914 -9.088 5.642 1.00 0.00 H new ATOM 0 HE3 TRP A 57 16.702 -8.342 7.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 21.558 -7.714 8.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 17.434 -7.181 9.171 1.00 0.00 H new ATOM 0 HH2 TRP A 57 19.825 -6.933 9.692 1.00 0.00 H new ATOM 788 N THR A 58 14.176 -11.136 6.478 1.00 0.00 N ATOM 789 CA THR A 58 12.693 -11.143 6.287 1.00 0.00 C ATOM 790 C THR A 58 12.107 -9.759 5.805 1.00 0.00 C ATOM 791 O THR A 58 12.713 -8.720 6.106 1.00 0.00 O ATOM 792 CB THR A 58 11.997 -11.608 7.612 1.00 0.00 C ATOM 793 OG1 THR A 58 12.280 -10.729 8.694 1.00 0.00 O ATOM 794 CG2 THR A 58 12.342 -13.033 8.077 1.00 0.00 C ATOM 0 H THR A 58 14.460 -11.123 7.457 1.00 0.00 H new ATOM 0 HA THR A 58 12.481 -11.847 5.483 1.00 0.00 H new ATOM 0 HB THR A 58 10.940 -11.594 7.347 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.828 -11.049 9.503 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.808 -13.253 9.001 1.00 0.00 H new ATOM 0 HG22 THR A 58 12.048 -13.748 7.309 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.415 -13.109 8.251 1.00 0.00 H new ATOM 802 N PRO A 59 10.909 -9.655 5.142 1.00 0.00 N ATOM 803 CA PRO A 59 10.266 -8.332 4.819 1.00 0.00 C ATOM 804 C PRO A 59 9.737 -7.413 5.993 1.00 0.00 C ATOM 805 O PRO A 59 8.972 -6.471 5.768 1.00 0.00 O ATOM 806 CB PRO A 59 9.149 -8.790 3.856 1.00 0.00 C ATOM 807 CG PRO A 59 8.774 -10.202 4.299 1.00 0.00 C ATOM 808 CD PRO A 59 10.112 -10.820 4.694 1.00 0.00 C ATOM 0 HA PRO A 59 11.007 -7.634 4.428 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.289 -8.122 3.908 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.496 -8.783 2.823 1.00 0.00 H new ATOM 0 HG2 PRO A 59 8.076 -10.188 5.136 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.296 -10.761 3.495 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.995 -11.557 5.489 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.583 -11.330 3.854 1.00 0.00 H new ATOM 816 N GLU A 60 10.200 -7.670 7.221 1.00 0.00 N ATOM 817 CA GLU A 60 9.974 -6.839 8.440 1.00 0.00 C ATOM 818 C GLU A 60 11.325 -6.525 9.178 1.00 0.00 C ATOM 819 O GLU A 60 11.527 -5.389 9.621 1.00 0.00 O ATOM 820 CB GLU A 60 8.952 -7.530 9.384 1.00 0.00 C ATOM 821 CG GLU A 60 7.498 -7.580 8.848 1.00 0.00 C ATOM 822 CD GLU A 60 6.515 -8.251 9.802 1.00 0.00 C ATOM 823 OE1 GLU A 60 5.972 -7.374 10.690 1.00 0.00 O ATOM 824 OE2 GLU A 60 6.243 -9.447 9.773 1.00 0.00 O ATOM 0 H GLU A 60 10.768 -8.494 7.416 1.00 0.00 H new ATOM 0 HA GLU A 60 9.553 -5.883 8.129 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.288 -8.549 9.576 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.953 -7.008 10.341 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.159 -6.564 8.647 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.489 -8.113 7.897 1.00 0.00 H new ATOM 831 N ALA A 61 12.276 -7.485 9.285 1.00 0.00 N ATOM 832 CA ALA A 61 13.708 -7.191 9.568 1.00 0.00 C ATOM 833 C ALA A 61 14.406 -6.231 8.548 1.00 0.00 C ATOM 834 O ALA A 61 15.012 -5.255 8.991 1.00 0.00 O ATOM 835 CB ALA A 61 14.439 -8.540 9.699 1.00 0.00 C ATOM 0 H ALA A 61 12.077 -8.480 9.179 1.00 0.00 H new ATOM 0 HA ALA A 61 13.758 -6.625 10.498 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.494 -8.363 9.907 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.999 -9.114 10.515 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.341 -9.099 8.768 1.00 0.00 H new ATOM 841 N LEU A 62 14.259 -6.423 7.216 1.00 0.00 N ATOM 842 CA LEU A 62 14.633 -5.388 6.201 1.00 0.00 C ATOM 843 C LEU A 62 13.888 -4.017 6.309 1.00 0.00 C ATOM 844 O LEU A 62 14.518 -2.995 6.056 1.00 0.00 O ATOM 845 CB LEU A 62 14.462 -5.925 4.755 1.00 0.00 C ATOM 846 CG LEU A 62 15.399 -7.066 4.293 1.00 0.00 C ATOM 847 CD1 LEU A 62 14.877 -7.685 2.986 1.00 0.00 C ATOM 848 CD2 LEU A 62 16.838 -6.560 4.079 1.00 0.00 C ATOM 0 H LEU A 62 13.885 -7.281 6.811 1.00 0.00 H new ATOM 0 HA LEU A 62 15.679 -5.187 6.432 1.00 0.00 H new ATOM 0 HB2 LEU A 62 13.434 -6.271 4.646 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.591 -5.088 4.069 1.00 0.00 H new ATOM 0 HG LEU A 62 15.411 -7.821 5.079 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.545 -8.487 2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.877 -8.088 3.148 1.00 0.00 H new ATOM 0 HD13 LEU A 62 14.838 -6.920 2.211 1.00 0.00 H new ATOM 0 HD21 LEU A 62 17.470 -7.387 3.755 1.00 0.00 H new ATOM 0 HD22 LEU A 62 16.840 -5.781 3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.224 -6.154 5.014 1.00 0.00 H new ATOM 860 N GLN A 63 12.595 -3.951 6.678 1.00 0.00 N ATOM 861 CA GLN A 63 11.913 -2.639 6.943 1.00 0.00 C ATOM 862 C GLN A 63 12.350 -1.853 8.227 1.00 0.00 C ATOM 863 O GLN A 63 12.211 -0.625 8.275 1.00 0.00 O ATOM 864 CB GLN A 63 10.369 -2.789 6.881 1.00 0.00 C ATOM 865 CG GLN A 63 9.813 -3.145 5.479 1.00 0.00 C ATOM 866 CD GLN A 63 8.389 -2.668 5.204 1.00 0.00 C ATOM 867 OE1 GLN A 63 8.108 -1.475 5.185 1.00 0.00 O ATOM 868 NE2 GLN A 63 7.466 -3.557 4.942 1.00 0.00 N ATOM 0 H GLN A 63 11.997 -4.768 6.802 1.00 0.00 H new ATOM 0 HA GLN A 63 12.267 -2.006 6.129 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.063 -3.562 7.586 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.913 -1.856 7.213 1.00 0.00 H new ATOM 0 HG2 GLN A 63 10.474 -2.718 4.725 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.846 -4.228 5.357 1.00 0.00 H new ATOM 0 HE21 GLN A 63 7.696 -4.551 4.957 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.516 -3.257 4.723 1.00 0.00 H new ATOM 877 N GLU A 64 12.887 -2.552 9.234 1.00 0.00 N ATOM 878 CA GLU A 64 13.662 -1.945 10.351 1.00 0.00 C ATOM 879 C GLU A 64 15.143 -1.619 9.938 1.00 0.00 C ATOM 880 O GLU A 64 15.583 -0.475 10.082 1.00 0.00 O ATOM 881 CB GLU A 64 13.566 -2.927 11.554 1.00 0.00 C ATOM 882 CG GLU A 64 12.150 -3.127 12.163 1.00 0.00 C ATOM 883 CD GLU A 64 12.029 -4.394 13.004 1.00 0.00 C ATOM 884 OE1 GLU A 64 11.786 -5.500 12.236 1.00 0.00 O ATOM 885 OE2 GLU A 64 12.141 -4.407 14.226 1.00 0.00 O ATOM 0 H GLU A 64 12.801 -3.566 9.308 1.00 0.00 H new ATOM 0 HA GLU A 64 13.243 -0.978 10.630 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.942 -3.899 11.234 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.231 -2.571 12.341 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.903 -2.264 12.781 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.417 -3.163 11.357 1.00 0.00 H new ATOM 892 N PHE A 65 15.892 -2.598 9.388 1.00 0.00 N ATOM 893 CA PHE A 65 17.289 -2.418 8.895 1.00 0.00 C ATOM 894 C PHE A 65 17.482 -1.391 7.742 1.00 0.00 C ATOM 895 O PHE A 65 18.418 -0.601 7.818 1.00 0.00 O ATOM 896 CB PHE A 65 17.797 -3.832 8.520 1.00 0.00 C ATOM 897 CG PHE A 65 19.241 -3.990 8.012 1.00 0.00 C ATOM 898 CD1 PHE A 65 20.327 -3.941 8.893 1.00 0.00 C ATOM 899 CD2 PHE A 65 19.453 -4.378 6.685 1.00 0.00 C ATOM 900 CE1 PHE A 65 21.591 -4.345 8.470 1.00 0.00 C ATOM 901 CE2 PHE A 65 20.713 -4.798 6.275 1.00 0.00 C ATOM 902 CZ PHE A 65 21.771 -4.824 7.176 1.00 0.00 C ATOM 0 H PHE A 65 15.546 -3.550 9.269 1.00 0.00 H new ATOM 0 HA PHE A 65 17.879 -1.963 9.690 1.00 0.00 H new ATOM 0 HB2 PHE A 65 17.685 -4.467 9.399 1.00 0.00 H new ATOM 0 HB3 PHE A 65 17.132 -4.229 7.753 1.00 0.00 H new ATOM 0 HD1 PHE A 65 20.185 -3.589 9.904 1.00 0.00 H new ATOM 0 HD2 PHE A 65 18.637 -4.351 5.978 1.00 0.00 H new ATOM 0 HE1 PHE A 65 22.431 -4.287 9.146 1.00 0.00 H new ATOM 0 HE2 PHE A 65 20.871 -5.106 5.252 1.00 0.00 H new ATOM 0 HZ PHE A 65 22.731 -5.215 6.872 1.00 0.00 H new ATOM 912 N LEU A 66 16.632 -1.339 6.702 1.00 0.00 N ATOM 913 CA LEU A 66 16.712 -0.249 5.680 1.00 0.00 C ATOM 914 C LEU A 66 16.337 1.204 6.129 1.00 0.00 C ATOM 915 O LEU A 66 16.560 2.131 5.352 1.00 0.00 O ATOM 916 CB LEU A 66 15.954 -0.695 4.399 1.00 0.00 C ATOM 917 CG LEU A 66 16.506 -1.954 3.673 1.00 0.00 C ATOM 918 CD1 LEU A 66 15.652 -2.282 2.441 1.00 0.00 C ATOM 919 CD2 LEU A 66 17.977 -1.783 3.260 1.00 0.00 C ATOM 0 H LEU A 66 15.890 -2.019 6.537 1.00 0.00 H new ATOM 0 HA LEU A 66 17.777 -0.129 5.482 1.00 0.00 H new ATOM 0 HB2 LEU A 66 14.914 -0.883 4.665 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.958 0.136 3.693 1.00 0.00 H new ATOM 0 HG LEU A 66 16.453 -2.782 4.380 1.00 0.00 H new ATOM 0 HD11 LEU A 66 16.053 -3.166 1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 66 14.625 -2.474 2.751 1.00 0.00 H new ATOM 0 HD13 LEU A 66 15.671 -1.439 1.750 1.00 0.00 H new ATOM 0 HD21 LEU A 66 18.321 -2.686 2.756 1.00 0.00 H new ATOM 0 HD22 LEU A 66 18.069 -0.933 2.584 1.00 0.00 H new ATOM 0 HD23 LEU A 66 18.586 -1.608 4.147 1.00 0.00 H new ATOM 931 N THR A 67 15.851 1.426 7.361 1.00 0.00 N ATOM 932 CA THR A 67 15.735 2.782 7.988 1.00 0.00 C ATOM 933 C THR A 67 16.768 3.059 9.129 1.00 0.00 C ATOM 934 O THR A 67 17.218 4.198 9.259 1.00 0.00 O ATOM 935 CB THR A 67 14.248 3.009 8.367 1.00 0.00 C ATOM 936 OG1 THR A 67 13.514 3.090 7.158 1.00 0.00 O ATOM 937 CG2 THR A 67 13.903 4.301 9.118 1.00 0.00 C ATOM 0 H THR A 67 15.521 0.674 7.966 1.00 0.00 H new ATOM 0 HA THR A 67 16.023 3.542 7.262 1.00 0.00 H new ATOM 0 HB THR A 67 14.011 2.181 9.035 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.253 4.020 6.996 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.832 4.330 9.319 1.00 0.00 H new ATOM 0 HG22 THR A 67 14.450 4.331 10.060 1.00 0.00 H new ATOM 0 HG23 THR A 67 14.181 5.161 8.509 1.00 0.00 H new ATOM 945 N ASN A 68 17.146 2.074 9.958 1.00 0.00 N ATOM 946 CA ASN A 68 18.252 2.201 10.941 1.00 0.00 C ATOM 947 C ASN A 68 19.168 0.924 10.808 1.00 0.00 C ATOM 948 O ASN A 68 19.027 0.000 11.619 1.00 0.00 O ATOM 949 CB ASN A 68 17.639 2.455 12.349 1.00 0.00 C ATOM 950 CG ASN A 68 17.453 3.897 12.839 1.00 0.00 C ATOM 951 OD1 ASN A 68 17.844 4.246 13.946 1.00 0.00 O ATOM 952 ND2 ASN A 68 16.848 4.783 12.091 1.00 0.00 N ATOM 0 H ASN A 68 16.695 1.159 9.971 1.00 0.00 H new ATOM 0 HA ASN A 68 18.903 3.055 10.756 1.00 0.00 H new ATOM 0 HB2 ASN A 68 16.662 1.973 12.372 1.00 0.00 H new ATOM 0 HB3 ASN A 68 18.266 1.940 13.077 1.00 0.00 H new ATOM 0 HD21 ASN A 68 16.713 5.734 12.435 1.00 0.00 H new ATOM 0 HD22 ASN A 68 16.511 4.523 11.164 1.00 0.00 H new ATOM 959 N PRO A 69 20.137 0.831 9.837 1.00 0.00 N ATOM 960 CA PRO A 69 21.045 -0.347 9.687 1.00 0.00 C ATOM 961 C PRO A 69 21.870 -0.774 10.934 1.00 0.00 C ATOM 962 O PRO A 69 21.927 -1.959 11.274 1.00 0.00 O ATOM 963 CB PRO A 69 21.937 0.057 8.486 1.00 0.00 C ATOM 964 CG PRO A 69 21.131 1.068 7.673 1.00 0.00 C ATOM 965 CD PRO A 69 20.228 1.754 8.692 1.00 0.00 C ATOM 0 HA PRO A 69 20.460 -1.255 9.538 1.00 0.00 H new ATOM 0 HB2 PRO A 69 22.875 0.493 8.828 1.00 0.00 H new ATOM 0 HB3 PRO A 69 22.192 -0.813 7.881 1.00 0.00 H new ATOM 0 HG2 PRO A 69 21.783 1.786 7.176 1.00 0.00 H new ATOM 0 HG3 PRO A 69 20.547 0.575 6.895 1.00 0.00 H new ATOM 0 HD2 PRO A 69 20.643 2.715 8.997 1.00 0.00 H new ATOM 0 HD3 PRO A 69 19.243 1.951 8.270 1.00 0.00 H new ATOM 973 N LYS A 70 22.441 0.222 11.631 1.00 0.00 N ATOM 974 CA LYS A 70 23.091 0.016 12.958 1.00 0.00 C ATOM 975 C LYS A 70 22.166 -0.057 14.232 1.00 0.00 C ATOM 976 O LYS A 70 22.685 -0.164 15.345 1.00 0.00 O ATOM 977 CB LYS A 70 24.269 1.018 13.091 1.00 0.00 C ATOM 978 CG LYS A 70 23.863 2.501 13.229 1.00 0.00 C ATOM 979 CD LYS A 70 25.033 3.480 13.453 1.00 0.00 C ATOM 980 CE LYS A 70 25.922 3.684 12.214 1.00 0.00 C ATOM 981 NZ LYS A 70 26.966 4.687 12.499 1.00 0.00 N ATOM 0 H LYS A 70 22.471 1.188 11.304 1.00 0.00 H new ATOM 0 HA LYS A 70 23.458 -1.010 12.952 1.00 0.00 H new ATOM 0 HB2 LYS A 70 24.865 0.739 13.960 1.00 0.00 H new ATOM 0 HB3 LYS A 70 24.912 0.915 12.217 1.00 0.00 H new ATOM 0 HG2 LYS A 70 23.326 2.800 12.329 1.00 0.00 H new ATOM 0 HG3 LYS A 70 23.166 2.595 14.062 1.00 0.00 H new ATOM 0 HD2 LYS A 70 24.632 4.445 13.763 1.00 0.00 H new ATOM 0 HD3 LYS A 70 25.649 3.112 14.274 1.00 0.00 H new ATOM 0 HE2 LYS A 70 26.383 2.739 11.928 1.00 0.00 H new ATOM 0 HE3 LYS A 70 25.314 4.010 11.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 27.561 4.818 11.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 26.519 5.592 12.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 27.555 4.360 13.291 1.00 0.00 H new ATOM 994 N ALA A 71 20.827 -0.058 14.103 1.00 0.00 N ATOM 995 CA ALA A 71 19.916 -0.575 15.163 1.00 0.00 C ATOM 996 C ALA A 71 19.674 -2.120 15.095 1.00 0.00 C ATOM 997 O ALA A 71 19.711 -2.783 16.134 1.00 0.00 O ATOM 998 CB ALA A 71 18.606 0.227 15.076 1.00 0.00 C ATOM 0 H ALA A 71 20.342 0.292 13.277 1.00 0.00 H new ATOM 0 HA ALA A 71 20.389 -0.433 16.135 1.00 0.00 H new ATOM 0 HB1 ALA A 71 17.912 -0.125 15.840 1.00 0.00 H new ATOM 0 HB2 ALA A 71 18.816 1.285 15.236 1.00 0.00 H new ATOM 0 HB3 ALA A 71 18.161 0.090 14.091 1.00 0.00 H new ATOM 1004 N VAL A 72 19.439 -2.697 13.897 1.00 0.00 N ATOM 1005 CA VAL A 72 19.280 -4.172 13.710 1.00 0.00 C ATOM 1006 C VAL A 72 20.665 -4.915 13.724 1.00 0.00 C ATOM 1007 O VAL A 72 20.832 -5.846 14.516 1.00 0.00 O ATOM 1008 CB VAL A 72 18.380 -4.449 12.452 1.00 0.00 C ATOM 1009 CG1 VAL A 72 18.283 -5.940 12.066 1.00 0.00 C ATOM 1010 CG2 VAL A 72 16.926 -3.936 12.583 1.00 0.00 C ATOM 0 H VAL A 72 19.353 -2.165 13.031 1.00 0.00 H new ATOM 0 HA VAL A 72 18.751 -4.602 14.560 1.00 0.00 H new ATOM 0 HB VAL A 72 18.904 -3.890 11.677 1.00 0.00 H new ATOM 0 HG11 VAL A 72 17.645 -6.048 11.189 1.00 0.00 H new ATOM 0 HG12 VAL A 72 19.278 -6.323 11.840 1.00 0.00 H new ATOM 0 HG13 VAL A 72 17.857 -6.504 12.896 1.00 0.00 H new ATOM 0 HG21 VAL A 72 16.375 -4.168 11.672 1.00 0.00 H new ATOM 0 HG22 VAL A 72 16.444 -4.421 13.432 1.00 0.00 H new ATOM 0 HG23 VAL A 72 16.933 -2.857 12.738 1.00 0.00 H new ATOM 1020 N VAL A 73 21.645 -4.526 12.881 1.00 0.00 N ATOM 1021 CA VAL A 73 23.051 -5.029 13.002 1.00 0.00 C ATOM 1022 C VAL A 73 23.894 -3.883 13.651 1.00 0.00 C ATOM 1023 O VAL A 73 24.504 -3.079 12.938 1.00 0.00 O ATOM 1024 CB VAL A 73 23.642 -5.492 11.626 1.00 0.00 C ATOM 1025 CG1 VAL A 73 25.098 -5.995 11.733 1.00 0.00 C ATOM 1026 CG2 VAL A 73 22.848 -6.624 10.936 1.00 0.00 C ATOM 0 H VAL A 73 21.502 -3.871 12.112 1.00 0.00 H new ATOM 0 HA VAL A 73 23.077 -5.920 13.629 1.00 0.00 H new ATOM 0 HB VAL A 73 23.580 -4.582 11.029 1.00 0.00 H new ATOM 0 HG11 VAL A 73 25.450 -6.301 10.748 1.00 0.00 H new ATOM 0 HG12 VAL A 73 25.733 -5.194 12.113 1.00 0.00 H new ATOM 0 HG13 VAL A 73 25.140 -6.845 12.414 1.00 0.00 H new ATOM 0 HG21 VAL A 73 23.327 -6.881 9.991 1.00 0.00 H new ATOM 0 HG22 VAL A 73 22.828 -7.501 11.583 1.00 0.00 H new ATOM 0 HG23 VAL A 73 21.828 -6.290 10.746 1.00 0.00 H new ATOM 1036 N LYS A 74 23.958 -3.812 14.993 1.00 0.00 N ATOM 1037 CA LYS A 74 24.714 -2.738 15.703 1.00 0.00 C ATOM 1038 C LYS A 74 26.261 -2.949 15.569 1.00 0.00 C ATOM 1039 O LYS A 74 26.860 -3.817 16.211 1.00 0.00 O ATOM 1040 CB LYS A 74 24.180 -2.687 17.158 1.00 0.00 C ATOM 1041 CG LYS A 74 24.634 -1.447 17.961 1.00 0.00 C ATOM 1042 CD LYS A 74 23.945 -1.366 19.336 1.00 0.00 C ATOM 1043 CE LYS A 74 24.393 -0.132 20.135 1.00 0.00 C ATOM 1044 NZ LYS A 74 23.695 -0.094 21.435 1.00 0.00 N ATOM 0 H LYS A 74 23.500 -4.478 15.615 1.00 0.00 H new ATOM 0 HA LYS A 74 24.551 -1.759 15.253 1.00 0.00 H new ATOM 0 HB2 LYS A 74 23.091 -2.710 17.133 1.00 0.00 H new ATOM 0 HB3 LYS A 74 24.506 -3.585 17.684 1.00 0.00 H new ATOM 0 HG2 LYS A 74 25.715 -1.480 18.098 1.00 0.00 H new ATOM 0 HG3 LYS A 74 24.413 -0.545 17.391 1.00 0.00 H new ATOM 0 HD2 LYS A 74 22.864 -1.335 19.198 1.00 0.00 H new ATOM 0 HD3 LYS A 74 24.168 -2.268 19.907 1.00 0.00 H new ATOM 0 HE2 LYS A 74 25.471 -0.162 20.292 1.00 0.00 H new ATOM 0 HE3 LYS A 74 24.178 0.775 19.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 24.003 0.743 21.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 22.668 -0.045 21.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 23.921 -0.953 21.976 1.00 0.00 H new ATOM 1057 N GLY A 75 26.867 -2.182 14.649 1.00 0.00 N ATOM 1058 CA GLY A 75 28.182 -2.527 14.041 1.00 0.00 C ATOM 1059 C GLY A 75 28.140 -3.160 12.624 1.00 0.00 C ATOM 1060 O GLY A 75 28.868 -4.120 12.353 1.00 0.00 O ATOM 0 H GLY A 75 26.471 -1.309 14.301 1.00 0.00 H new ATOM 0 HA2 GLY A 75 28.785 -1.620 13.993 1.00 0.00 H new ATOM 0 HA3 GLY A 75 28.697 -3.217 14.709 1.00 0.00 H new ATOM 1064 N THR A 76 27.358 -2.598 11.687 1.00 0.00 N ATOM 1065 CA THR A 76 27.453 -2.912 10.242 1.00 0.00 C ATOM 1066 C THR A 76 28.546 -2.032 9.562 1.00 0.00 C ATOM 1067 O THR A 76 28.599 -0.812 9.748 1.00 0.00 O ATOM 1068 CB THR A 76 26.039 -2.781 9.594 1.00 0.00 C ATOM 1069 OG1 THR A 76 26.074 -3.307 8.274 1.00 0.00 O ATOM 1070 CG2 THR A 76 25.410 -1.380 9.491 1.00 0.00 C ATOM 0 H THR A 76 26.638 -1.910 11.906 1.00 0.00 H new ATOM 0 HA THR A 76 27.775 -3.943 10.093 1.00 0.00 H new ATOM 0 HB THR A 76 25.410 -3.331 10.294 1.00 0.00 H new ATOM 0 HG1 THR A 76 25.186 -3.227 7.866 1.00 0.00 H new ATOM 0 HG21 THR A 76 24.430 -1.455 9.019 1.00 0.00 H new ATOM 0 HG22 THR A 76 25.301 -0.956 10.489 1.00 0.00 H new ATOM 0 HG23 THR A 76 26.053 -0.736 8.892 1.00 0.00 H new ATOM 1078 N LYS A 77 29.359 -2.638 8.687 1.00 0.00 N ATOM 1079 CA LYS A 77 30.226 -1.876 7.727 1.00 0.00 C ATOM 1080 C LYS A 77 29.470 -1.167 6.534 1.00 0.00 C ATOM 1081 O LYS A 77 30.108 -0.726 5.574 1.00 0.00 O ATOM 1082 CB LYS A 77 31.324 -2.872 7.242 1.00 0.00 C ATOM 1083 CG LYS A 77 32.357 -3.308 8.319 1.00 0.00 C ATOM 1084 CD LYS A 77 32.912 -4.740 8.147 1.00 0.00 C ATOM 1085 CE LYS A 77 34.115 -4.931 7.216 1.00 0.00 C ATOM 1086 NZ LYS A 77 33.732 -4.902 5.788 1.00 0.00 N ATOM 0 H LYS A 77 29.447 -3.651 8.610 1.00 0.00 H new ATOM 0 HA LYS A 77 30.657 -1.022 8.249 1.00 0.00 H new ATOM 0 HB2 LYS A 77 30.834 -3.764 6.852 1.00 0.00 H new ATOM 0 HB3 LYS A 77 31.862 -2.415 6.411 1.00 0.00 H new ATOM 0 HG2 LYS A 77 33.191 -2.607 8.306 1.00 0.00 H new ATOM 0 HG3 LYS A 77 31.891 -3.230 9.301 1.00 0.00 H new ATOM 0 HD2 LYS A 77 33.189 -5.113 9.133 1.00 0.00 H new ATOM 0 HD3 LYS A 77 32.102 -5.372 7.783 1.00 0.00 H new ATOM 0 HE2 LYS A 77 34.848 -4.148 7.409 1.00 0.00 H new ATOM 0 HE3 LYS A 77 34.598 -5.882 7.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 34.497 -4.469 5.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 33.568 -5.873 5.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 32.862 -4.344 5.673 1.00 0.00 H new ATOM 1099 N MET A 78 28.128 -1.018 6.599 1.00 0.00 N ATOM 1100 CA MET A 78 27.318 -0.339 5.560 1.00 0.00 C ATOM 1101 C MET A 78 27.190 1.179 5.891 1.00 0.00 C ATOM 1102 O MET A 78 26.473 1.566 6.821 1.00 0.00 O ATOM 1103 CB MET A 78 25.960 -1.094 5.450 1.00 0.00 C ATOM 1104 CG MET A 78 24.963 -0.469 4.454 1.00 0.00 C ATOM 1105 SD MET A 78 23.866 -1.704 3.637 1.00 0.00 S ATOM 1106 CE MET A 78 22.278 -0.954 4.169 1.00 0.00 C ATOM 0 H MET A 78 27.572 -1.368 7.379 1.00 0.00 H new ATOM 0 HA MET A 78 27.792 -0.375 4.579 1.00 0.00 H new ATOM 0 HB2 MET A 78 26.154 -2.125 5.153 1.00 0.00 H new ATOM 0 HB3 MET A 78 25.496 -1.129 6.436 1.00 0.00 H new ATOM 0 HG2 MET A 78 24.347 0.261 4.979 1.00 0.00 H new ATOM 0 HG3 MET A 78 25.518 0.074 3.689 1.00 0.00 H new ATOM 0 HE1 MET A 78 21.460 -1.642 3.954 1.00 0.00 H new ATOM 0 HE2 MET A 78 22.311 -0.753 5.240 1.00 0.00 H new ATOM 0 HE3 MET A 78 22.118 -0.020 3.630 1.00 0.00 H new ATOM 1116 N ALA A 79 27.847 2.043 5.091 1.00 0.00 N ATOM 1117 CA ALA A 79 27.727 3.520 5.238 1.00 0.00 C ATOM 1118 C ALA A 79 26.417 4.102 4.601 1.00 0.00 C ATOM 1119 O ALA A 79 26.432 4.809 3.589 1.00 0.00 O ATOM 1120 CB ALA A 79 29.035 4.113 4.676 1.00 0.00 C ATOM 0 H ALA A 79 28.467 1.751 4.336 1.00 0.00 H new ATOM 0 HA ALA A 79 27.614 3.804 6.284 1.00 0.00 H new ATOM 0 HB1 ALA A 79 29.006 5.200 4.757 1.00 0.00 H new ATOM 0 HB2 ALA A 79 29.882 3.729 5.244 1.00 0.00 H new ATOM 0 HB3 ALA A 79 29.142 3.830 3.629 1.00 0.00 H new ATOM 1126 N PHE A 80 25.275 3.786 5.234 1.00 0.00 N ATOM 1127 CA PHE A 80 23.924 4.151 4.741 1.00 0.00 C ATOM 1128 C PHE A 80 23.098 4.788 5.902 1.00 0.00 C ATOM 1129 O PHE A 80 22.957 4.211 6.986 1.00 0.00 O ATOM 1130 CB PHE A 80 23.270 2.873 4.149 1.00 0.00 C ATOM 1131 CG PHE A 80 21.896 3.076 3.493 1.00 0.00 C ATOM 1132 CD1 PHE A 80 21.761 3.867 2.347 1.00 0.00 C ATOM 1133 CD2 PHE A 80 20.760 2.489 4.059 1.00 0.00 C ATOM 1134 CE1 PHE A 80 20.504 4.084 1.789 1.00 0.00 C ATOM 1135 CE2 PHE A 80 19.507 2.699 3.497 1.00 0.00 C ATOM 1136 CZ PHE A 80 19.381 3.509 2.375 1.00 0.00 C ATOM 0 H PHE A 80 25.257 3.265 6.111 1.00 0.00 H new ATOM 0 HA PHE A 80 23.969 4.901 3.952 1.00 0.00 H new ATOM 0 HB2 PHE A 80 23.948 2.449 3.408 1.00 0.00 H new ATOM 0 HB3 PHE A 80 23.167 2.136 4.946 1.00 0.00 H new ATOM 0 HD1 PHE A 80 22.635 4.311 1.894 1.00 0.00 H new ATOM 0 HD2 PHE A 80 20.857 1.869 4.938 1.00 0.00 H new ATOM 0 HE1 PHE A 80 20.401 4.696 0.905 1.00 0.00 H new ATOM 0 HE2 PHE A 80 18.634 2.234 3.931 1.00 0.00 H new ATOM 0 HZ PHE A 80 18.403 3.694 1.955 1.00 0.00 H new ATOM 1146 N ALA A 81 22.515 5.970 5.647 1.00 0.00 N ATOM 1147 CA ALA A 81 21.704 6.706 6.655 1.00 0.00 C ATOM 1148 C ALA A 81 20.242 6.208 6.911 1.00 0.00 C ATOM 1149 O ALA A 81 19.706 6.482 7.988 1.00 0.00 O ATOM 1150 CB ALA A 81 21.720 8.181 6.210 1.00 0.00 C ATOM 0 H ALA A 81 22.586 6.447 4.748 1.00 0.00 H new ATOM 0 HA ALA A 81 22.163 6.531 7.628 1.00 0.00 H new ATOM 0 HB1 ALA A 81 21.139 8.779 6.912 1.00 0.00 H new ATOM 0 HB2 ALA A 81 22.748 8.543 6.188 1.00 0.00 H new ATOM 0 HB3 ALA A 81 21.285 8.265 5.214 1.00 0.00 H new ATOM 1156 N GLY A 82 19.604 5.514 5.949 1.00 0.00 N ATOM 1157 CA GLY A 82 18.206 5.031 6.100 1.00 0.00 C ATOM 1158 C GLY A 82 17.153 5.620 5.131 1.00 0.00 C ATOM 1159 O GLY A 82 17.188 6.793 4.753 1.00 0.00 O ATOM 0 H GLY A 82 20.031 5.272 5.055 1.00 0.00 H new ATOM 0 HA2 GLY A 82 18.207 3.947 5.982 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.883 5.240 7.120 1.00 0.00 H new ATOM 1163 N LEU A 83 16.150 4.794 4.806 1.00 0.00 N ATOM 1164 CA LEU A 83 14.942 5.212 4.043 1.00 0.00 C ATOM 1165 C LEU A 83 13.826 5.841 4.955 1.00 0.00 C ATOM 1166 O LEU A 83 13.571 5.293 6.035 1.00 0.00 O ATOM 1167 CB LEU A 83 14.369 3.974 3.293 1.00 0.00 C ATOM 1168 CG LEU A 83 15.202 3.438 2.101 1.00 0.00 C ATOM 1169 CD1 LEU A 83 14.596 2.144 1.550 1.00 0.00 C ATOM 1170 CD2 LEU A 83 15.285 4.453 0.954 1.00 0.00 C ATOM 0 H LEU A 83 16.144 3.807 5.062 1.00 0.00 H new ATOM 0 HA LEU A 83 15.248 5.988 3.342 1.00 0.00 H new ATOM 0 HB2 LEU A 83 14.246 3.166 4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 83 13.374 4.228 2.927 1.00 0.00 H new ATOM 0 HG LEU A 83 16.204 3.253 2.487 1.00 0.00 H new ATOM 0 HD11 LEU A 83 15.198 1.787 0.714 1.00 0.00 H new ATOM 0 HD12 LEU A 83 14.579 1.387 2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 83 13.579 2.335 1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 83 15.878 4.035 0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 83 14.281 4.677 0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 83 15.755 5.369 1.312 1.00 0.00 H new ATOM 1182 N PRO A 84 13.102 6.936 4.577 1.00 0.00 N ATOM 1183 CA PRO A 84 12.125 7.599 5.486 1.00 0.00 C ATOM 1184 C PRO A 84 10.711 6.937 5.580 1.00 0.00 C ATOM 1185 O PRO A 84 10.262 6.627 6.687 1.00 0.00 O ATOM 1186 CB PRO A 84 12.138 9.042 4.938 1.00 0.00 C ATOM 1187 CG PRO A 84 12.423 8.908 3.437 1.00 0.00 C ATOM 1188 CD PRO A 84 13.338 7.687 3.326 1.00 0.00 C ATOM 0 HA PRO A 84 12.404 7.522 6.537 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.183 9.537 5.113 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.903 9.642 5.431 1.00 0.00 H new ATOM 0 HG2 PRO A 84 11.503 8.767 2.870 1.00 0.00 H new ATOM 0 HG3 PRO A 84 12.906 9.803 3.044 1.00 0.00 H new ATOM 0 HD2 PRO A 84 13.094 7.086 2.450 1.00 0.00 H new ATOM 0 HD3 PRO A 84 14.383 7.981 3.230 1.00 0.00 H new ATOM 1196 N LYS A 85 10.006 6.717 4.453 1.00 0.00 N ATOM 1197 CA LYS A 85 8.613 6.193 4.455 1.00 0.00 C ATOM 1198 C LYS A 85 8.576 4.636 4.551 1.00 0.00 C ATOM 1199 O LYS A 85 9.448 3.930 4.030 1.00 0.00 O ATOM 1200 CB LYS A 85 7.885 6.641 3.158 1.00 0.00 C ATOM 1201 CG LYS A 85 7.744 8.165 2.914 1.00 0.00 C ATOM 1202 CD LYS A 85 7.157 8.529 1.534 1.00 0.00 C ATOM 1203 CE LYS A 85 5.656 8.229 1.379 1.00 0.00 C ATOM 1204 NZ LYS A 85 5.199 8.623 0.032 1.00 0.00 N ATOM 0 H LYS A 85 10.376 6.894 3.519 1.00 0.00 H new ATOM 0 HA LYS A 85 8.110 6.598 5.333 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.414 6.211 2.308 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.885 6.206 3.165 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.108 8.589 3.691 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.724 8.631 3.015 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.323 9.591 1.351 1.00 0.00 H new ATOM 0 HD3 LYS A 85 7.705 7.984 0.765 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.471 7.167 1.539 1.00 0.00 H new ATOM 0 HE3 LYS A 85 5.089 8.769 2.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.184 8.417 -0.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.360 9.641 -0.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 5.730 8.089 -0.685 1.00 0.00 H new ATOM 1217 N ILE A 86 7.517 4.089 5.174 1.00 0.00 N ATOM 1218 CA ILE A 86 7.160 2.631 5.054 1.00 0.00 C ATOM 1219 C ILE A 86 6.970 2.142 3.571 1.00 0.00 C ATOM 1220 O ILE A 86 7.495 1.093 3.191 1.00 0.00 O ATOM 1221 CB ILE A 86 5.968 2.309 6.032 1.00 0.00 C ATOM 1222 CG1 ILE A 86 5.818 0.808 6.422 1.00 0.00 C ATOM 1223 CG2 ILE A 86 4.596 2.932 5.653 1.00 0.00 C ATOM 1224 CD1 ILE A 86 5.171 -0.154 5.406 1.00 0.00 C ATOM 0 H ILE A 86 6.882 4.620 5.770 1.00 0.00 H new ATOM 0 HA ILE A 86 8.010 2.030 5.376 1.00 0.00 H new ATOM 0 HB ILE A 86 6.294 2.833 6.931 1.00 0.00 H new ATOM 0 HG12 ILE A 86 6.812 0.425 6.655 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.234 0.761 7.341 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.849 2.646 6.394 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.684 4.018 5.628 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.291 2.570 4.671 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.140 -1.159 5.826 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.157 0.179 5.185 1.00 0.00 H new ATOM 0 HD13 ILE A 86 5.758 -0.162 4.488 1.00 0.00 H new ATOM 1236 N GLU A 87 6.331 2.972 2.721 1.00 0.00 N ATOM 1237 CA GLU A 87 6.273 2.791 1.249 1.00 0.00 C ATOM 1238 C GLU A 87 7.650 2.655 0.527 1.00 0.00 C ATOM 1239 O GLU A 87 7.753 1.840 -0.385 1.00 0.00 O ATOM 1240 CB GLU A 87 5.467 3.969 0.619 1.00 0.00 C ATOM 1241 CG GLU A 87 3.973 4.131 1.010 1.00 0.00 C ATOM 1242 CD GLU A 87 3.646 4.798 2.352 1.00 0.00 C ATOM 1243 OE1 GLU A 87 4.476 5.259 3.133 1.00 0.00 O ATOM 1244 OE2 GLU A 87 2.306 4.828 2.583 1.00 0.00 O ATOM 0 H GLU A 87 5.831 3.802 3.040 1.00 0.00 H new ATOM 0 HA GLU A 87 5.781 1.830 1.097 1.00 0.00 H new ATOM 0 HB2 GLU A 87 5.980 4.896 0.874 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.518 3.864 -0.465 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.483 4.705 0.224 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.519 3.140 1.011 1.00 0.00 H new ATOM 1251 N ASP A 88 8.701 3.406 0.918 1.00 0.00 N ATOM 1252 CA ASP A 88 10.042 3.305 0.263 1.00 0.00 C ATOM 1253 C ASP A 88 10.695 1.887 0.369 1.00 0.00 C ATOM 1254 O ASP A 88 10.975 1.256 -0.654 1.00 0.00 O ATOM 1255 CB ASP A 88 10.978 4.417 0.817 1.00 0.00 C ATOM 1256 CG ASP A 88 10.674 5.863 0.433 1.00 0.00 C ATOM 1257 OD1 ASP A 88 10.497 6.029 -0.907 1.00 0.00 O ATOM 1258 OD2 ASP A 88 10.632 6.781 1.246 1.00 0.00 O ATOM 0 H ASP A 88 8.658 4.086 1.677 1.00 0.00 H new ATOM 0 HA ASP A 88 9.890 3.459 -0.805 1.00 0.00 H new ATOM 0 HB2 ASP A 88 10.969 4.351 1.905 1.00 0.00 H new ATOM 0 HB3 ASP A 88 11.994 4.191 0.493 1.00 0.00 H new ATOM 1263 N ARG A 89 10.882 1.376 1.598 1.00 0.00 N ATOM 1264 CA ARG A 89 11.301 -0.030 1.838 1.00 0.00 C ATOM 1265 C ARG A 89 10.279 -1.143 1.422 1.00 0.00 C ATOM 1266 O ARG A 89 10.721 -2.105 0.794 1.00 0.00 O ATOM 1267 CB ARG A 89 11.890 -0.173 3.264 1.00 0.00 C ATOM 1268 CG ARG A 89 11.010 0.301 4.452 1.00 0.00 C ATOM 1269 CD ARG A 89 11.577 1.514 5.218 1.00 0.00 C ATOM 1270 NE ARG A 89 11.101 1.437 6.633 1.00 0.00 N ATOM 1271 CZ ARG A 89 10.665 2.439 7.388 1.00 0.00 C ATOM 1272 NH1 ARG A 89 10.428 3.636 6.937 1.00 0.00 N ATOM 1273 NH2 ARG A 89 10.492 2.210 8.655 1.00 0.00 N ATOM 0 H ARG A 89 10.750 1.916 2.453 1.00 0.00 H new ATOM 0 HA ARG A 89 12.100 -0.237 1.126 1.00 0.00 H new ATOM 0 HB2 ARG A 89 12.134 -1.223 3.424 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.828 0.381 3.298 1.00 0.00 H new ATOM 0 HG2 ARG A 89 10.019 0.555 4.076 1.00 0.00 H new ATOM 0 HG3 ARG A 89 10.884 -0.528 5.149 1.00 0.00 H new ATOM 0 HD2 ARG A 89 12.666 1.510 5.183 1.00 0.00 H new ATOM 0 HD3 ARG A 89 11.246 2.444 4.756 1.00 0.00 H new ATOM 0 HE ARG A 89 11.112 0.514 7.066 1.00 0.00 H new ATOM 0 HH11 ARG A 89 10.576 3.848 5.950 1.00 0.00 H new ATOM 0 HH12 ARG A 89 10.094 4.363 7.570 1.00 0.00 H new ATOM 0 HH21 ARG A 89 10.690 1.286 9.038 1.00 0.00 H new ATOM 0 HH22 ARG A 89 10.158 2.955 9.267 1.00 0.00 H new ATOM 1287 N ALA A 90 8.956 -1.035 1.673 1.00 0.00 N ATOM 1288 CA ALA A 90 7.941 -1.965 1.087 1.00 0.00 C ATOM 1289 C ALA A 90 7.885 -2.081 -0.477 1.00 0.00 C ATOM 1290 O ALA A 90 7.896 -3.195 -1.010 1.00 0.00 O ATOM 1291 CB ALA A 90 6.577 -1.587 1.689 1.00 0.00 C ATOM 0 H ALA A 90 8.557 -0.316 2.276 1.00 0.00 H new ATOM 0 HA ALA A 90 8.251 -2.974 1.359 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.807 -2.244 1.286 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.615 -1.695 2.773 1.00 0.00 H new ATOM 0 HB3 ALA A 90 6.341 -0.553 1.436 1.00 0.00 H new ATOM 1297 N ASN A 91 7.891 -0.950 -1.207 1.00 0.00 N ATOM 1298 CA ASN A 91 8.040 -0.927 -2.695 1.00 0.00 C ATOM 1299 C ASN A 91 9.382 -1.542 -3.226 1.00 0.00 C ATOM 1300 O ASN A 91 9.363 -2.372 -4.141 1.00 0.00 O ATOM 1301 CB ASN A 91 7.838 0.530 -3.204 1.00 0.00 C ATOM 1302 CG ASN A 91 6.426 1.128 -3.076 1.00 0.00 C ATOM 1303 OD1 ASN A 91 5.400 0.455 -3.102 1.00 0.00 O ATOM 1304 ND2 ASN A 91 6.310 2.430 -2.992 1.00 0.00 N ATOM 0 H ASN A 91 7.794 -0.023 -0.794 1.00 0.00 H new ATOM 0 HA ASN A 91 7.267 -1.580 -3.102 1.00 0.00 H new ATOM 0 HB2 ASN A 91 8.529 1.176 -2.663 1.00 0.00 H new ATOM 0 HB3 ASN A 91 8.126 0.564 -4.255 1.00 0.00 H new ATOM 0 HD21 ASN A 91 5.385 2.858 -2.950 1.00 0.00 H new ATOM 0 HD22 ASN A 91 7.145 3.016 -2.968 1.00 0.00 H new ATOM 1311 N LEU A 92 10.533 -1.178 -2.626 1.00 0.00 N ATOM 1312 CA LEU A 92 11.825 -1.899 -2.812 1.00 0.00 C ATOM 1313 C LEU A 92 11.818 -3.436 -2.487 1.00 0.00 C ATOM 1314 O LEU A 92 12.334 -4.219 -3.282 1.00 0.00 O ATOM 1315 CB LEU A 92 12.878 -1.082 -2.013 1.00 0.00 C ATOM 1316 CG LEU A 92 14.336 -1.599 -2.016 1.00 0.00 C ATOM 1317 CD1 LEU A 92 14.957 -1.653 -3.419 1.00 0.00 C ATOM 1318 CD2 LEU A 92 15.205 -0.717 -1.116 1.00 0.00 C ATOM 0 H LEU A 92 10.602 -0.377 -1.998 1.00 0.00 H new ATOM 0 HA LEU A 92 12.068 -1.938 -3.874 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.881 -0.064 -2.404 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.544 -1.025 -0.977 1.00 0.00 H new ATOM 0 HG LEU A 92 14.301 -2.621 -1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 92 15.980 -2.024 -3.350 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.371 -2.320 -4.051 1.00 0.00 H new ATOM 0 HD13 LEU A 92 14.962 -0.653 -3.853 1.00 0.00 H new ATOM 0 HD21 LEU A 92 16.230 -1.088 -1.124 1.00 0.00 H new ATOM 0 HD22 LEU A 92 15.187 0.308 -1.485 1.00 0.00 H new ATOM 0 HD23 LEU A 92 14.817 -0.743 -0.098 1.00 0.00 H new ATOM 1330 N ILE A 93 11.222 -3.878 -1.368 1.00 0.00 N ATOM 1331 CA ILE A 93 11.004 -5.327 -1.043 1.00 0.00 C ATOM 1332 C ILE A 93 10.099 -6.099 -2.077 1.00 0.00 C ATOM 1333 O ILE A 93 10.373 -7.271 -2.356 1.00 0.00 O ATOM 1334 CB ILE A 93 10.580 -5.405 0.475 1.00 0.00 C ATOM 1335 CG1 ILE A 93 11.794 -5.142 1.426 1.00 0.00 C ATOM 1336 CG2 ILE A 93 9.871 -6.710 0.908 1.00 0.00 C ATOM 1337 CD1 ILE A 93 11.429 -4.708 2.855 1.00 0.00 C ATOM 0 H ILE A 93 10.869 -3.248 -0.648 1.00 0.00 H new ATOM 0 HA ILE A 93 11.929 -5.892 -1.161 1.00 0.00 H new ATOM 0 HB ILE A 93 9.838 -4.612 0.569 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.394 -6.051 1.482 1.00 0.00 H new ATOM 0 HG13 ILE A 93 12.423 -4.372 0.980 1.00 0.00 H new ATOM 0 HG21 ILE A 93 9.625 -6.656 1.968 1.00 0.00 H new ATOM 0 HG22 ILE A 93 8.956 -6.836 0.329 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.532 -7.559 0.732 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.341 -4.552 3.432 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.859 -3.780 2.819 1.00 0.00 H new ATOM 0 HD13 ILE A 93 10.829 -5.485 3.329 1.00 0.00 H new ATOM 1349 N ALA A 94 9.060 -5.480 -2.670 1.00 0.00 N ATOM 1350 CA ALA A 94 8.382 -6.018 -3.887 1.00 0.00 C ATOM 1351 C ALA A 94 9.277 -6.152 -5.168 1.00 0.00 C ATOM 1352 O ALA A 94 9.332 -7.233 -5.763 1.00 0.00 O ATOM 1353 CB ALA A 94 7.135 -5.150 -4.123 1.00 0.00 C ATOM 0 H ALA A 94 8.664 -4.603 -2.332 1.00 0.00 H new ATOM 0 HA ALA A 94 8.117 -7.058 -3.695 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.605 -5.507 -5.006 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.478 -5.213 -3.255 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.437 -4.114 -4.275 1.00 0.00 H new ATOM 1359 N TYR A 95 10.024 -5.095 -5.546 1.00 0.00 N ATOM 1360 CA TYR A 95 11.155 -5.183 -6.519 1.00 0.00 C ATOM 1361 C TYR A 95 12.228 -6.295 -6.226 1.00 0.00 C ATOM 1362 O TYR A 95 12.501 -7.095 -7.118 1.00 0.00 O ATOM 1363 CB TYR A 95 11.719 -3.736 -6.622 1.00 0.00 C ATOM 1364 CG TYR A 95 12.942 -3.562 -7.526 1.00 0.00 C ATOM 1365 CD1 TYR A 95 12.797 -3.443 -8.910 1.00 0.00 C ATOM 1366 CD2 TYR A 95 14.223 -3.588 -6.965 1.00 0.00 C ATOM 1367 CE1 TYR A 95 13.925 -3.346 -9.721 1.00 0.00 C ATOM 1368 CE2 TYR A 95 15.343 -3.500 -7.781 1.00 0.00 C ATOM 1369 CZ TYR A 95 15.197 -3.374 -9.157 1.00 0.00 C ATOM 1370 OH TYR A 95 16.305 -3.325 -9.959 1.00 0.00 O ATOM 0 H TYR A 95 9.868 -4.152 -5.191 1.00 0.00 H new ATOM 0 HA TYR A 95 10.794 -5.536 -7.485 1.00 0.00 H new ATOM 0 HB2 TYR A 95 10.926 -3.082 -6.985 1.00 0.00 H new ATOM 0 HB3 TYR A 95 11.980 -3.395 -5.620 1.00 0.00 H new ATOM 0 HD1 TYR A 95 11.811 -3.426 -9.351 1.00 0.00 H new ATOM 0 HD2 TYR A 95 14.341 -3.677 -5.895 1.00 0.00 H new ATOM 0 HE1 TYR A 95 13.812 -3.249 -10.791 1.00 0.00 H new ATOM 0 HE2 TYR A 95 16.331 -3.530 -7.345 1.00 0.00 H new ATOM 0 HH TYR A 95 17.024 -2.848 -9.494 1.00 0.00 H new ATOM 1380 N LEU A 96 12.812 -6.370 -5.017 1.00 0.00 N ATOM 1381 CA LEU A 96 13.804 -7.430 -4.642 1.00 0.00 C ATOM 1382 C LEU A 96 13.271 -8.908 -4.590 1.00 0.00 C ATOM 1383 O LEU A 96 14.041 -9.844 -4.821 1.00 0.00 O ATOM 1384 CB LEU A 96 14.458 -7.029 -3.286 1.00 0.00 C ATOM 1385 CG LEU A 96 15.314 -5.731 -3.249 1.00 0.00 C ATOM 1386 CD1 LEU A 96 15.600 -5.323 -1.794 1.00 0.00 C ATOM 1387 CD2 LEU A 96 16.631 -5.872 -4.032 1.00 0.00 C ATOM 0 H LEU A 96 12.620 -5.707 -4.266 1.00 0.00 H new ATOM 0 HA LEU A 96 14.528 -7.460 -5.456 1.00 0.00 H new ATOM 0 HB2 LEU A 96 13.662 -6.927 -2.548 1.00 0.00 H new ATOM 0 HB3 LEU A 96 15.090 -7.856 -2.961 1.00 0.00 H new ATOM 0 HG LEU A 96 14.733 -4.949 -3.738 1.00 0.00 H new ATOM 0 HD11 LEU A 96 16.200 -4.413 -1.783 1.00 0.00 H new ATOM 0 HD12 LEU A 96 14.659 -5.144 -1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 96 16.144 -6.123 -1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 96 17.190 -4.938 -3.974 1.00 0.00 H new ATOM 0 HD22 LEU A 96 17.225 -6.678 -3.602 1.00 0.00 H new ATOM 0 HD23 LEU A 96 16.412 -6.100 -5.075 1.00 0.00 H new ATOM 1399 N GLU A 97 11.971 -9.122 -4.312 1.00 0.00 N ATOM 1400 CA GLU A 97 11.275 -10.418 -4.573 1.00 0.00 C ATOM 1401 C GLU A 97 11.110 -10.776 -6.090 1.00 0.00 C ATOM 1402 O GLU A 97 11.457 -11.893 -6.482 1.00 0.00 O ATOM 1403 CB GLU A 97 9.899 -10.395 -3.848 1.00 0.00 C ATOM 1404 CG GLU A 97 9.976 -10.479 -2.305 1.00 0.00 C ATOM 1405 CD GLU A 97 8.668 -10.145 -1.600 1.00 0.00 C ATOM 1406 OE1 GLU A 97 8.465 -8.796 -1.517 1.00 0.00 O ATOM 1407 OE2 GLU A 97 7.901 -10.992 -1.151 1.00 0.00 O ATOM 0 H GLU A 97 11.366 -8.411 -3.901 1.00 0.00 H new ATOM 0 HA GLU A 97 11.910 -11.210 -4.177 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.375 -9.479 -4.122 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.298 -11.228 -4.213 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.283 -11.486 -2.021 1.00 0.00 H new ATOM 0 HG3 GLU A 97 10.751 -9.798 -1.953 1.00 0.00 H new