USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 721 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 HIS : no HD1:sc= -2.71 K(o=-4.8,f=-7.9!) USER MOD Set 1.2: A 90 SER OG : rot 180:sc= -2.09 USER MOD Set 2.1: A 9 LYS NZ :NH3+ -168:sc= -0.0317 (180deg=-0.18) USER MOD Set 2.2: A 77 TYR OH : rot 9:sc= 0.613 USER MOD Set 2.3: A 79 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 5 LYS NZ :NH3+ -111:sc= -0.163 (180deg=-0.394) USER MOD Set 3.2: A 29 MET CE :methyl -140:sc= -1.87! (180deg=-2.85!) USER MOD Single : A 1 MET CE :methyl -162:sc= -0.194 (180deg=-0.843) USER MOD Single : A 1 MET N :NH3+ -164:sc= -0.0669 (180deg=-0.445) USER MOD Single : A 2 SER OG : rot -55:sc= 1.13 USER MOD Single : A 10 ASN : amide:sc= -1.78 K(o=-1.8,f=-0.037) USER MOD Single : A 13 MET CE :methyl -122:sc= -2.73 (180deg=-8.95!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -149:sc= -0.0269 (180deg=-1.92) USER MOD Single : A 18 GLN : amide:sc= -2.33! K(o=-2.3!,f=-0.78) USER MOD Single : A 19 GLN : amide:sc= -0.114 K(o=-0.11,f=-3.4!) USER MOD Single : A 24 CYS SG : rot 71:sc= -0.61 USER MOD Single : A 26 THR OG1 : rot 91:sc= 1.14 USER MOD Single : A 27 GLN : amide:sc= -0.0785 X(o=-0.078,f=-0.075) USER MOD Single : A 31 LYS NZ :NH3+ 166:sc= -0.0384 (180deg=-0.249) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -2.87! K(o=-2.9!,f=-0.83) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= -0.492 (180deg=-0.492) USER MOD Single : A 41 TYR OH : rot -110:sc= 1.15 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 173:sc=-0.00538 (180deg=-0.0901) USER MOD Single : A 49 LYS NZ :NH3+ 167:sc= -0.0267 (180deg=-0.235) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -5.57! C(o=-5.6!,f=-3.4!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 100:sc= -1.21 USER MOD Single : A 61 SER OG : rot 12:sc= 0.508 USER MOD Single : A 63 ASN : amide:sc= -1.92 K(o=-1.9,f=-0.35) USER MOD Single : A 66 SER OG : rot -41:sc= 1.17 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -4.83 K(o=-4.8,f=-8!) USER MOD Single : A 72 THR OG1 : rot -104:sc= -1.56 USER MOD Single : A 73 LYS NZ :NH3+ 167:sc= -0.0342 (180deg=-0.23) USER MOD Single : A 74 HIS : no HD1:sc= -0.232 K(o=-0.23,f=-2) USER MOD Single : A 82 GLN : amide:sc= -4.46! C(o=-4.5!,f=-2!) USER MOD Single : A 89 LYS NZ :NH3+ 143:sc= 0.887 (180deg=-1.34) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.637 11.803 2.862 1.00 0.00 N ATOM 2 CA MET A 1 13.296 11.762 4.194 1.00 0.00 C ATOM 3 C MET A 1 13.783 10.356 4.528 1.00 0.00 C ATOM 4 O MET A 1 13.459 9.809 5.582 1.00 0.00 O ATOM 5 CB MET A 1 12.295 12.242 5.247 1.00 0.00 C ATOM 6 CG MET A 1 11.799 13.659 5.011 1.00 0.00 C ATOM 7 SD MET A 1 10.634 14.206 6.273 1.00 0.00 S ATOM 8 CE MET A 1 9.339 12.982 6.091 1.00 0.00 C ATOM 0 H1 MET A 1 12.561 12.790 2.543 1.00 0.00 H new ATOM 0 H2 MET A 1 13.202 11.260 2.178 1.00 0.00 H new ATOM 0 H3 MET A 1 11.686 11.388 2.932 1.00 0.00 H new ATOM 0 HA MET A 1 14.170 12.414 4.181 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.441 11.564 5.261 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.761 12.188 6.231 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.651 14.339 4.989 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.322 13.714 4.033 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.424 13.349 6.556 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.159 12.797 5.032 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.645 12.054 6.574 1.00 0.00 H new ATOM 20 N SER A 2 14.560 9.776 3.620 1.00 0.00 N ATOM 21 CA SER A 2 15.093 8.432 3.816 1.00 0.00 C ATOM 22 C SER A 2 13.970 7.428 4.056 1.00 0.00 C ATOM 23 O SER A 2 14.144 6.446 4.777 1.00 0.00 O ATOM 24 CB SER A 2 16.070 8.412 4.992 1.00 0.00 C ATOM 25 OG SER A 2 16.599 7.113 5.196 1.00 0.00 O ATOM 0 H SER A 2 14.835 10.215 2.741 1.00 0.00 H new ATOM 0 HA SER A 2 15.623 8.146 2.908 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.883 9.113 4.805 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.562 8.747 5.896 1.00 0.00 H new ATOM 0 HG SER A 2 15.864 6.474 5.303 1.00 0.00 H new ATOM 31 N ASP A 3 12.816 7.684 3.447 1.00 0.00 N ATOM 32 CA ASP A 3 11.661 6.805 3.594 1.00 0.00 C ATOM 33 C ASP A 3 11.198 6.749 5.047 1.00 0.00 C ATOM 34 O ASP A 3 11.508 5.806 5.773 1.00 0.00 O ATOM 35 CB ASP A 3 11.999 5.396 3.101 1.00 0.00 C ATOM 36 CG ASP A 3 12.402 5.373 1.638 1.00 0.00 C ATOM 37 OD1 ASP A 3 12.421 6.452 1.009 1.00 0.00 O ATOM 38 OD2 ASP A 3 12.700 4.275 1.123 1.00 0.00 O ATOM 0 H ASP A 3 12.656 8.493 2.847 1.00 0.00 H new ATOM 0 HA ASP A 3 10.850 7.211 2.989 1.00 0.00 H new ATOM 0 HB2 ASP A 3 12.810 4.988 3.704 1.00 0.00 H new ATOM 0 HB3 ASP A 3 11.136 4.747 3.247 1.00 0.00 H new ATOM 43 N ARG A 4 10.452 7.769 5.464 1.00 0.00 N ATOM 44 CA ARG A 4 9.943 7.835 6.827 1.00 0.00 C ATOM 45 C ARG A 4 8.576 8.511 6.862 1.00 0.00 C ATOM 46 O ARG A 4 8.474 9.721 7.069 1.00 0.00 O ATOM 47 CB ARG A 4 10.922 8.587 7.728 1.00 0.00 C ATOM 48 CG ARG A 4 12.300 7.949 7.797 1.00 0.00 C ATOM 49 CD ARG A 4 13.207 8.678 8.776 1.00 0.00 C ATOM 50 NE ARG A 4 13.395 10.081 8.412 1.00 0.00 N ATOM 51 CZ ARG A 4 14.139 10.933 9.112 1.00 0.00 C ATOM 52 NH1 ARG A 4 14.768 10.530 10.209 1.00 0.00 N ATOM 53 NH2 ARG A 4 14.258 12.192 8.714 1.00 0.00 N ATOM 0 H ARG A 4 10.188 8.560 4.876 1.00 0.00 H new ATOM 0 HA ARG A 4 9.835 6.816 7.197 1.00 0.00 H new ATOM 0 HB2 ARG A 4 11.023 9.610 7.366 1.00 0.00 H new ATOM 0 HB3 ARG A 4 10.506 8.644 8.734 1.00 0.00 H new ATOM 0 HG2 ARG A 4 12.204 6.906 8.097 1.00 0.00 H new ATOM 0 HG3 ARG A 4 12.754 7.955 6.806 1.00 0.00 H new ATOM 0 HD2 ARG A 4 12.781 8.618 9.778 1.00 0.00 H new ATOM 0 HD3 ARG A 4 14.176 8.180 8.811 1.00 0.00 H new ATOM 0 HE ARG A 4 12.929 10.427 7.573 1.00 0.00 H new ATOM 0 HH11 ARG A 4 14.682 9.562 10.520 1.00 0.00 H new ATOM 0 HH12 ARG A 4 15.337 11.188 10.741 1.00 0.00 H new ATOM 0 HH21 ARG A 4 13.779 12.508 7.871 1.00 0.00 H new ATOM 0 HH22 ARG A 4 14.829 12.845 9.251 1.00 0.00 H new ATOM 67 N LYS A 5 7.528 7.721 6.660 1.00 0.00 N ATOM 68 CA LYS A 5 6.165 8.236 6.667 1.00 0.00 C ATOM 69 C LYS A 5 5.155 7.098 6.775 1.00 0.00 C ATOM 70 O LYS A 5 4.114 7.238 7.418 1.00 0.00 O ATOM 71 CB LYS A 5 5.908 9.076 5.410 1.00 0.00 C ATOM 72 CG LYS A 5 6.147 8.331 4.103 1.00 0.00 C ATOM 73 CD LYS A 5 4.905 7.589 3.628 1.00 0.00 C ATOM 74 CE LYS A 5 3.795 8.551 3.232 1.00 0.00 C ATOM 75 NZ LYS A 5 4.223 9.472 2.144 1.00 0.00 N ATOM 0 H LYS A 5 7.597 6.718 6.489 1.00 0.00 H new ATOM 0 HA LYS A 5 6.042 8.876 7.541 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.878 9.433 5.429 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.551 9.956 5.437 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.461 9.039 3.336 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.964 7.621 4.235 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.161 6.958 2.777 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.550 6.929 4.419 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.922 7.985 2.906 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.491 9.133 4.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.303 10.439 2.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.146 9.167 1.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.520 9.455 1.378 1.00 0.00 H new ATOM 89 N ALA A 6 5.470 5.967 6.150 1.00 0.00 N ATOM 90 CA ALA A 6 4.591 4.805 6.184 1.00 0.00 C ATOM 91 C ALA A 6 4.770 4.028 7.484 1.00 0.00 C ATOM 92 O ALA A 6 5.879 3.614 7.822 1.00 0.00 O ATOM 93 CB ALA A 6 4.855 3.907 4.987 1.00 0.00 C ATOM 0 H ALA A 6 6.327 5.832 5.614 1.00 0.00 H new ATOM 0 HA ALA A 6 3.560 5.155 6.136 1.00 0.00 H new ATOM 0 HB1 ALA A 6 4.191 3.044 5.026 1.00 0.00 H new ATOM 0 HB2 ALA A 6 4.673 4.463 4.068 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.891 3.569 5.007 1.00 0.00 H new ATOM 99 N VAL A 7 3.674 3.839 8.211 1.00 0.00 N ATOM 100 CA VAL A 7 3.716 3.115 9.477 1.00 0.00 C ATOM 101 C VAL A 7 2.817 1.884 9.440 1.00 0.00 C ATOM 102 O VAL A 7 1.593 1.997 9.403 1.00 0.00 O ATOM 103 CB VAL A 7 3.288 4.019 10.650 1.00 0.00 C ATOM 104 CG1 VAL A 7 3.402 3.275 11.973 1.00 0.00 C ATOM 105 CG2 VAL A 7 4.122 5.292 10.673 1.00 0.00 C ATOM 0 H VAL A 7 2.748 4.176 7.947 1.00 0.00 H new ATOM 0 HA VAL A 7 4.748 2.798 9.628 1.00 0.00 H new ATOM 0 HB VAL A 7 2.244 4.296 10.507 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.095 3.931 12.787 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.758 2.396 11.953 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.435 2.964 12.128 1.00 0.00 H new ATOM 0 HG21 VAL A 7 3.807 5.919 11.507 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.175 5.035 10.790 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.983 5.835 9.738 1.00 0.00 H new ATOM 115 N ILE A 8 3.436 0.706 9.456 1.00 0.00 N ATOM 116 CA ILE A 8 2.693 -0.548 9.431 1.00 0.00 C ATOM 117 C ILE A 8 2.006 -0.798 10.771 1.00 0.00 C ATOM 118 O ILE A 8 2.605 -0.611 11.830 1.00 0.00 O ATOM 119 CB ILE A 8 3.616 -1.740 9.105 1.00 0.00 C ATOM 120 CG1 ILE A 8 4.340 -1.502 7.778 1.00 0.00 C ATOM 121 CG2 ILE A 8 2.818 -3.036 9.051 1.00 0.00 C ATOM 122 CD1 ILE A 8 5.276 -2.628 7.390 1.00 0.00 C ATOM 0 H ILE A 8 4.450 0.595 9.486 1.00 0.00 H new ATOM 0 HA ILE A 8 1.940 -0.461 8.648 1.00 0.00 H new ATOM 0 HB ILE A 8 4.360 -1.829 9.897 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.600 -1.367 6.989 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.908 -0.574 7.845 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.486 -3.865 8.820 1.00 0.00 H new ATOM 0 HG22 ILE A 8 2.343 -3.211 10.016 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.053 -2.960 8.278 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.755 -2.392 6.440 1.00 0.00 H new ATOM 0 HD12 ILE A 8 6.038 -2.749 8.160 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.710 -3.554 7.291 1.00 0.00 H new ATOM 134 N LYS A 9 0.746 -1.218 10.718 1.00 0.00 N ATOM 135 CA LYS A 9 -0.019 -1.491 11.929 1.00 0.00 C ATOM 136 C LYS A 9 -0.184 -2.992 12.145 1.00 0.00 C ATOM 137 O LYS A 9 0.451 -3.576 13.023 1.00 0.00 O ATOM 138 CB LYS A 9 -1.389 -0.815 11.854 1.00 0.00 C ATOM 139 CG LYS A 9 -1.313 0.695 11.693 1.00 0.00 C ATOM 140 CD LYS A 9 -0.557 1.341 12.844 1.00 0.00 C ATOM 141 CE LYS A 9 -1.236 1.071 14.178 1.00 0.00 C ATOM 142 NZ LYS A 9 -2.626 1.606 14.215 1.00 0.00 N ATOM 0 H LYS A 9 0.234 -1.376 9.850 1.00 0.00 H new ATOM 0 HA LYS A 9 0.532 -1.083 12.777 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.947 -1.234 11.016 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.950 -1.048 12.759 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.820 0.937 10.751 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.321 1.108 11.641 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.464 0.959 12.870 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.491 2.416 12.679 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.256 -0.003 14.364 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.652 1.523 14.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.980 1.586 15.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.630 2.586 13.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.239 1.021 13.612 1.00 0.00 H new ATOM 156 N ASN A 10 -1.040 -3.613 11.338 1.00 0.00 N ATOM 157 CA ASN A 10 -1.285 -5.048 11.441 1.00 0.00 C ATOM 158 C ASN A 10 -0.834 -5.776 10.186 1.00 0.00 C ATOM 159 O ASN A 10 -0.639 -5.169 9.132 1.00 0.00 O ATOM 160 CB ASN A 10 -2.770 -5.328 11.694 1.00 0.00 C ATOM 161 CG ASN A 10 -3.207 -5.067 13.129 1.00 0.00 C ATOM 162 OD1 ASN A 10 -4.381 -5.231 13.461 1.00 0.00 O ATOM 163 ND2 ASN A 10 -2.277 -4.666 13.994 1.00 0.00 N ATOM 0 H ASN A 10 -1.575 -3.145 10.606 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.703 -5.419 12.285 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -3.367 -4.709 11.024 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -2.983 -6.367 11.442 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -2.529 -4.485 14.966 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -1.313 -4.540 13.685 1.00 0.00 H new ATOM 170 N ALA A 11 -0.672 -7.085 10.313 1.00 0.00 N ATOM 171 CA ALA A 11 -0.244 -7.914 9.192 1.00 0.00 C ATOM 172 C ALA A 11 -0.162 -9.386 9.588 1.00 0.00 C ATOM 173 O ALA A 11 0.810 -9.820 10.204 1.00 0.00 O ATOM 174 CB ALA A 11 1.101 -7.435 8.667 1.00 0.00 C ATOM 0 H ALA A 11 -0.830 -7.597 11.181 1.00 0.00 H new ATOM 0 HA ALA A 11 -0.989 -7.820 8.402 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.409 -8.062 7.830 1.00 0.00 H new ATOM 0 HB2 ALA A 11 1.014 -6.401 8.333 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.845 -7.498 9.461 1.00 0.00 H new ATOM 180 N ASP A 12 -1.186 -10.149 9.219 1.00 0.00 N ATOM 181 CA ASP A 12 -1.227 -11.574 9.523 1.00 0.00 C ATOM 182 C ASP A 12 -1.155 -12.385 8.233 1.00 0.00 C ATOM 183 O ASP A 12 -2.123 -13.035 7.837 1.00 0.00 O ATOM 184 CB ASP A 12 -2.505 -11.918 10.293 1.00 0.00 C ATOM 185 CG ASP A 12 -2.587 -13.390 10.654 1.00 0.00 C ATOM 186 OD1 ASP A 12 -1.652 -14.142 10.307 1.00 0.00 O ATOM 187 OD2 ASP A 12 -3.587 -13.790 11.286 1.00 0.00 O ATOM 0 H ASP A 12 -1.999 -9.803 8.709 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.369 -11.824 10.146 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.549 -11.321 11.204 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.372 -11.646 9.692 1.00 0.00 H new ATOM 192 N MET A 13 -0.004 -12.326 7.573 1.00 0.00 N ATOM 193 CA MET A 13 0.195 -13.037 6.318 1.00 0.00 C ATOM 194 C MET A 13 1.628 -13.564 6.215 1.00 0.00 C ATOM 195 O MET A 13 2.471 -13.254 7.058 1.00 0.00 O ATOM 196 CB MET A 13 -0.126 -12.094 5.151 1.00 0.00 C ATOM 197 CG MET A 13 -0.156 -12.769 3.790 1.00 0.00 C ATOM 198 SD MET A 13 -0.826 -11.696 2.503 1.00 0.00 S ATOM 199 CE MET A 13 -2.468 -11.380 3.146 1.00 0.00 C ATOM 0 H MET A 13 0.806 -11.792 7.888 1.00 0.00 H new ATOM 0 HA MET A 13 -0.474 -13.897 6.279 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.094 -11.627 5.333 1.00 0.00 H new ATOM 0 HB3 MET A 13 0.615 -11.295 5.131 1.00 0.00 H new ATOM 0 HG2 MET A 13 0.854 -13.073 3.516 1.00 0.00 H new ATOM 0 HG3 MET A 13 -0.756 -13.677 3.851 1.00 0.00 H new ATOM 0 HE1 MET A 13 -3.212 -11.703 2.418 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.607 -11.931 4.076 1.00 0.00 H new ATOM 0 HE3 MET A 13 -2.585 -10.313 3.336 1.00 0.00 H new ATOM 209 N SER A 14 1.898 -14.365 5.182 1.00 0.00 N ATOM 210 CA SER A 14 3.226 -14.947 4.961 1.00 0.00 C ATOM 211 C SER A 14 4.347 -13.949 5.253 1.00 0.00 C ATOM 212 O SER A 14 5.451 -14.349 5.617 1.00 0.00 O ATOM 213 CB SER A 14 3.345 -15.452 3.523 1.00 0.00 C ATOM 214 OG SER A 14 4.620 -16.022 3.287 1.00 0.00 O ATOM 0 H SER A 14 1.208 -14.628 4.478 1.00 0.00 H new ATOM 0 HA SER A 14 3.335 -15.780 5.655 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.570 -16.194 3.329 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.178 -14.628 2.830 1.00 0.00 H new ATOM 0 HG SER A 14 4.670 -16.339 2.361 1.00 0.00 H new ATOM 220 N GLU A 15 4.045 -12.656 5.089 1.00 0.00 N ATOM 221 CA GLU A 15 5.000 -11.561 5.328 1.00 0.00 C ATOM 222 C GLU A 15 5.569 -11.031 4.020 1.00 0.00 C ATOM 223 O GLU A 15 5.812 -9.831 3.877 1.00 0.00 O ATOM 224 CB GLU A 15 6.146 -11.976 6.263 1.00 0.00 C ATOM 225 CG GLU A 15 5.682 -12.439 7.635 1.00 0.00 C ATOM 226 CD GLU A 15 6.836 -12.842 8.533 1.00 0.00 C ATOM 227 OE1 GLU A 15 7.705 -11.987 8.805 1.00 0.00 O ATOM 228 OE2 GLU A 15 6.870 -14.014 8.965 1.00 0.00 O ATOM 0 H GLU A 15 3.126 -12.335 4.785 1.00 0.00 H new ATOM 0 HA GLU A 15 4.438 -10.768 5.821 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.714 -12.778 5.792 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.826 -11.133 6.385 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.116 -11.639 8.113 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.003 -13.284 7.519 1.00 0.00 H new ATOM 235 N ASP A 16 5.765 -11.924 3.060 1.00 0.00 N ATOM 236 CA ASP A 16 6.294 -11.529 1.763 1.00 0.00 C ATOM 237 C ASP A 16 5.332 -10.573 1.067 1.00 0.00 C ATOM 238 O ASP A 16 5.698 -9.894 0.109 1.00 0.00 O ATOM 239 CB ASP A 16 6.543 -12.761 0.891 1.00 0.00 C ATOM 240 CG ASP A 16 7.233 -12.424 -0.419 1.00 0.00 C ATOM 241 OD1 ASP A 16 7.576 -11.241 -0.625 1.00 0.00 O ATOM 242 OD2 ASP A 16 7.435 -13.347 -1.236 1.00 0.00 O ATOM 0 H ASP A 16 5.567 -12.920 3.154 1.00 0.00 H new ATOM 0 HA ASP A 16 7.243 -11.016 1.918 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.153 -13.475 1.444 1.00 0.00 H new ATOM 0 HB3 ASP A 16 5.592 -13.250 0.680 1.00 0.00 H new ATOM 247 N MET A 17 4.098 -10.521 1.560 1.00 0.00 N ATOM 248 CA MET A 17 3.096 -9.642 0.986 1.00 0.00 C ATOM 249 C MET A 17 3.124 -8.290 1.657 1.00 0.00 C ATOM 250 O MET A 17 3.075 -7.268 0.983 1.00 0.00 O ATOM 251 CB MET A 17 1.708 -10.274 1.079 1.00 0.00 C ATOM 252 CG MET A 17 1.505 -11.446 0.129 1.00 0.00 C ATOM 253 SD MET A 17 2.572 -12.849 0.506 1.00 0.00 S ATOM 254 CE MET A 17 2.080 -14.004 -0.771 1.00 0.00 C ATOM 0 H MET A 17 3.773 -11.076 2.352 1.00 0.00 H new ATOM 0 HA MET A 17 3.329 -9.497 -0.069 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.541 -10.613 2.101 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.957 -9.513 0.869 1.00 0.00 H new ATOM 0 HG2 MET A 17 0.464 -11.766 0.172 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.695 -11.116 -0.892 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.186 -15.023 -0.400 1.00 0.00 H new ATOM 0 HE2 MET A 17 1.040 -13.823 -1.044 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.714 -13.869 -1.647 1.00 0.00 H new ATOM 264 N GLN A 18 3.250 -8.269 2.972 1.00 0.00 N ATOM 265 CA GLN A 18 3.343 -6.998 3.663 1.00 0.00 C ATOM 266 C GLN A 18 4.616 -6.292 3.208 1.00 0.00 C ATOM 267 O GLN A 18 4.740 -5.072 3.316 1.00 0.00 O ATOM 268 CB GLN A 18 3.330 -7.184 5.180 1.00 0.00 C ATOM 269 CG GLN A 18 4.308 -8.228 5.679 1.00 0.00 C ATOM 270 CD GLN A 18 4.185 -8.458 7.169 1.00 0.00 C ATOM 271 OE1 GLN A 18 4.658 -7.657 7.975 1.00 0.00 O ATOM 272 NE2 GLN A 18 3.517 -9.542 7.542 1.00 0.00 N ATOM 0 H GLN A 18 3.289 -9.095 3.569 1.00 0.00 H new ATOM 0 HA GLN A 18 2.475 -6.388 3.415 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.558 -6.230 5.655 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.324 -7.463 5.493 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.135 -9.167 5.152 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.325 -7.913 5.444 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.143 -10.178 6.838 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.378 -9.739 8.533 1.00 0.00 H new ATOM 281 N GLN A 19 5.552 -7.075 2.654 1.00 0.00 N ATOM 282 CA GLN A 19 6.799 -6.524 2.144 1.00 0.00 C ATOM 283 C GLN A 19 6.602 -6.029 0.718 1.00 0.00 C ATOM 284 O GLN A 19 6.942 -4.894 0.390 1.00 0.00 O ATOM 285 CB GLN A 19 7.915 -7.571 2.191 1.00 0.00 C ATOM 286 CG GLN A 19 8.303 -7.982 3.602 1.00 0.00 C ATOM 287 CD GLN A 19 9.392 -9.037 3.623 1.00 0.00 C ATOM 288 OE1 GLN A 19 9.220 -10.134 3.088 1.00 0.00 O ATOM 289 NE2 GLN A 19 10.520 -8.713 4.243 1.00 0.00 N ATOM 0 H GLN A 19 5.463 -8.086 2.551 1.00 0.00 H new ATOM 0 HA GLN A 19 7.091 -5.685 2.776 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.596 -8.455 1.638 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.794 -7.176 1.682 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.642 -7.104 4.152 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.423 -8.363 4.121 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.620 -7.793 4.673 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.287 -9.384 4.290 1.00 0.00 H new ATOM 298 N ASP A 20 6.018 -6.880 -0.118 1.00 0.00 N ATOM 299 CA ASP A 20 5.745 -6.516 -1.502 1.00 0.00 C ATOM 300 C ASP A 20 4.627 -5.482 -1.554 1.00 0.00 C ATOM 301 O ASP A 20 4.464 -4.769 -2.542 1.00 0.00 O ATOM 302 CB ASP A 20 5.362 -7.753 -2.317 1.00 0.00 C ATOM 303 CG ASP A 20 5.085 -7.425 -3.772 1.00 0.00 C ATOM 304 OD1 ASP A 20 6.001 -6.918 -4.451 1.00 0.00 O ATOM 305 OD2 ASP A 20 3.951 -7.678 -4.232 1.00 0.00 O ATOM 0 H ASP A 20 5.726 -7.823 0.138 1.00 0.00 H new ATOM 0 HA ASP A 20 6.648 -6.086 -1.936 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.167 -8.486 -2.260 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.478 -8.215 -1.877 1.00 0.00 H new ATOM 310 N ALA A 21 3.868 -5.401 -0.466 1.00 0.00 N ATOM 311 CA ALA A 21 2.773 -4.451 -0.361 1.00 0.00 C ATOM 312 C ALA A 21 3.312 -3.073 -0.029 1.00 0.00 C ATOM 313 O ALA A 21 2.988 -2.090 -0.695 1.00 0.00 O ATOM 314 CB ALA A 21 1.772 -4.900 0.694 1.00 0.00 C ATOM 0 H ALA A 21 3.995 -5.987 0.359 1.00 0.00 H new ATOM 0 HA ALA A 21 2.258 -4.405 -1.320 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.960 -4.175 0.757 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.368 -5.875 0.421 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.270 -4.972 1.661 1.00 0.00 H new ATOM 320 N VAL A 22 4.158 -3.011 0.993 1.00 0.00 N ATOM 321 CA VAL A 22 4.760 -1.750 1.392 1.00 0.00 C ATOM 322 C VAL A 22 5.601 -1.190 0.252 1.00 0.00 C ATOM 323 O VAL A 22 5.724 0.024 0.099 1.00 0.00 O ATOM 324 CB VAL A 22 5.635 -1.904 2.653 1.00 0.00 C ATOM 325 CG1 VAL A 22 6.289 -0.579 3.024 1.00 0.00 C ATOM 326 CG2 VAL A 22 4.807 -2.434 3.814 1.00 0.00 C ATOM 0 H VAL A 22 4.439 -3.814 1.555 1.00 0.00 H new ATOM 0 HA VAL A 22 3.950 -1.060 1.628 1.00 0.00 H new ATOM 0 HB VAL A 22 6.425 -2.623 2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.901 -0.712 3.916 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.917 -0.240 2.200 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.517 0.165 3.221 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.440 -2.537 4.695 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.995 -1.739 4.029 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.392 -3.407 3.550 1.00 0.00 H new ATOM 336 N ASP A 23 6.157 -2.085 -0.561 1.00 0.00 N ATOM 337 CA ASP A 23 6.961 -1.659 -1.703 1.00 0.00 C ATOM 338 C ASP A 23 6.060 -1.288 -2.853 1.00 0.00 C ATOM 339 O ASP A 23 6.160 -0.192 -3.390 1.00 0.00 O ATOM 340 CB ASP A 23 7.959 -2.742 -2.116 1.00 0.00 C ATOM 341 CG ASP A 23 9.050 -2.947 -1.083 1.00 0.00 C ATOM 342 OD1 ASP A 23 8.717 -3.251 0.081 1.00 0.00 O ATOM 343 OD2 ASP A 23 10.239 -2.804 -1.439 1.00 0.00 O ATOM 0 H ASP A 23 6.068 -3.095 -0.453 1.00 0.00 H new ATOM 0 HA ASP A 23 7.538 -0.782 -1.411 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.428 -3.681 -2.271 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.412 -2.470 -3.070 1.00 0.00 H new ATOM 348 N CYS A 24 5.147 -2.173 -3.203 1.00 0.00 N ATOM 349 CA CYS A 24 4.207 -1.861 -4.262 1.00 0.00 C ATOM 350 C CYS A 24 3.365 -0.661 -3.842 1.00 0.00 C ATOM 351 O CYS A 24 2.736 -0.012 -4.674 1.00 0.00 O ATOM 352 CB CYS A 24 3.314 -3.063 -4.583 1.00 0.00 C ATOM 353 SG CYS A 24 4.183 -4.438 -5.373 1.00 0.00 S ATOM 0 H CYS A 24 5.036 -3.095 -2.780 1.00 0.00 H new ATOM 0 HA CYS A 24 4.761 -1.618 -5.169 1.00 0.00 H new ATOM 0 HB2 CYS A 24 2.856 -3.419 -3.660 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.504 -2.736 -5.235 1.00 0.00 H new ATOM 0 HG CYS A 24 4.974 -5.004 -4.511 1.00 0.00 H new ATOM 359 N ALA A 25 3.388 -0.351 -2.541 1.00 0.00 N ATOM 360 CA ALA A 25 2.653 0.787 -2.013 1.00 0.00 C ATOM 361 C ALA A 25 3.523 2.032 -2.063 1.00 0.00 C ATOM 362 O ALA A 25 3.043 3.129 -2.349 1.00 0.00 O ATOM 363 CB ALA A 25 2.191 0.512 -0.589 1.00 0.00 C ATOM 0 H ALA A 25 3.910 -0.877 -1.840 1.00 0.00 H new ATOM 0 HA ALA A 25 1.769 0.952 -2.629 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.643 1.375 -0.211 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.541 -0.363 -0.580 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.058 0.327 0.045 1.00 0.00 H new ATOM 369 N THR A 26 4.814 1.848 -1.803 1.00 0.00 N ATOM 370 CA THR A 26 5.761 2.952 -1.839 1.00 0.00 C ATOM 371 C THR A 26 5.993 3.376 -3.280 1.00 0.00 C ATOM 372 O THR A 26 6.050 4.566 -3.588 1.00 0.00 O ATOM 373 CB THR A 26 7.085 2.552 -1.183 1.00 0.00 C ATOM 374 OG1 THR A 26 6.885 2.198 0.174 1.00 0.00 O ATOM 375 CG2 THR A 26 8.130 3.647 -1.220 1.00 0.00 C ATOM 0 H THR A 26 5.226 0.945 -1.566 1.00 0.00 H new ATOM 0 HA THR A 26 5.346 3.790 -1.279 1.00 0.00 H new ATOM 0 HB THR A 26 7.449 1.705 -1.765 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.710 1.236 0.239 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.042 3.296 -0.738 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.345 3.910 -2.256 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.756 4.525 -0.693 1.00 0.00 H new ATOM 383 N GLN A 27 6.096 2.391 -4.166 1.00 0.00 N ATOM 384 CA GLN A 27 6.288 2.665 -5.583 1.00 0.00 C ATOM 385 C GLN A 27 4.983 3.152 -6.177 1.00 0.00 C ATOM 386 O GLN A 27 4.967 4.064 -7.002 1.00 0.00 O ATOM 387 CB GLN A 27 6.779 1.418 -6.323 1.00 0.00 C ATOM 388 CG GLN A 27 8.006 0.774 -5.698 1.00 0.00 C ATOM 389 CD GLN A 27 9.129 1.761 -5.455 1.00 0.00 C ATOM 390 OE1 GLN A 27 9.635 2.391 -6.383 1.00 0.00 O ATOM 391 NE2 GLN A 27 9.525 1.901 -4.194 1.00 0.00 N ATOM 0 H GLN A 27 6.050 1.400 -3.928 1.00 0.00 H new ATOM 0 HA GLN A 27 7.050 3.436 -5.694 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.973 0.685 -6.355 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.007 1.686 -7.355 1.00 0.00 H new ATOM 0 HG2 GLN A 27 7.725 0.310 -4.752 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.364 -0.023 -6.350 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.077 1.358 -3.456 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.277 2.551 -3.965 1.00 0.00 H new ATOM 400 N ALA A 28 3.882 2.554 -5.735 1.00 0.00 N ATOM 401 CA ALA A 28 2.576 2.959 -6.218 1.00 0.00 C ATOM 402 C ALA A 28 2.302 4.401 -5.825 1.00 0.00 C ATOM 403 O ALA A 28 1.766 5.175 -6.607 1.00 0.00 O ATOM 404 CB ALA A 28 1.485 2.050 -5.676 1.00 0.00 C ATOM 0 H ALA A 28 3.871 1.797 -5.052 1.00 0.00 H new ATOM 0 HA ALA A 28 2.573 2.877 -7.305 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.517 2.378 -6.055 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.672 1.025 -5.997 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.482 2.094 -4.587 1.00 0.00 H new ATOM 410 N MET A 29 2.696 4.757 -4.607 1.00 0.00 N ATOM 411 CA MET A 29 2.508 6.110 -4.112 1.00 0.00 C ATOM 412 C MET A 29 3.529 7.050 -4.737 1.00 0.00 C ATOM 413 O MET A 29 3.309 8.257 -4.818 1.00 0.00 O ATOM 414 CB MET A 29 2.626 6.132 -2.589 1.00 0.00 C ATOM 415 CG MET A 29 2.464 7.516 -1.988 1.00 0.00 C ATOM 416 SD MET A 29 2.503 7.503 -0.184 1.00 0.00 S ATOM 417 CE MET A 29 4.131 6.822 0.120 1.00 0.00 C ATOM 0 H MET A 29 3.148 4.125 -3.946 1.00 0.00 H new ATOM 0 HA MET A 29 1.511 6.450 -4.391 1.00 0.00 H new ATOM 0 HB2 MET A 29 1.871 5.470 -2.165 1.00 0.00 H new ATOM 0 HB3 MET A 29 3.599 5.732 -2.302 1.00 0.00 H new ATOM 0 HG2 MET A 29 3.258 8.164 -2.359 1.00 0.00 H new ATOM 0 HG3 MET A 29 1.520 7.945 -2.324 1.00 0.00 H new ATOM 0 HE1 MET A 29 4.084 6.127 0.959 1.00 0.00 H new ATOM 0 HE2 MET A 29 4.477 6.295 -0.769 1.00 0.00 H new ATOM 0 HE3 MET A 29 4.825 7.629 0.356 1.00 0.00 H new ATOM 427 N GLU A 30 4.644 6.486 -5.186 1.00 0.00 N ATOM 428 CA GLU A 30 5.692 7.262 -5.811 1.00 0.00 C ATOM 429 C GLU A 30 5.343 7.521 -7.271 1.00 0.00 C ATOM 430 O GLU A 30 5.487 8.637 -7.770 1.00 0.00 O ATOM 431 CB GLU A 30 7.021 6.512 -5.695 1.00 0.00 C ATOM 432 CG GLU A 30 8.242 7.342 -6.051 1.00 0.00 C ATOM 433 CD GLU A 30 8.537 7.377 -7.542 1.00 0.00 C ATOM 434 OE1 GLU A 30 7.726 7.943 -8.302 1.00 0.00 O ATOM 435 OE2 GLU A 30 9.587 6.836 -7.948 1.00 0.00 O ATOM 0 H GLU A 30 4.840 5.487 -5.125 1.00 0.00 H new ATOM 0 HA GLU A 30 5.788 8.223 -5.306 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.130 6.146 -4.674 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.989 5.638 -6.345 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.096 8.361 -5.694 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.109 6.942 -5.526 1.00 0.00 H new ATOM 442 N LYS A 31 4.882 6.475 -7.947 1.00 0.00 N ATOM 443 CA LYS A 31 4.510 6.576 -9.357 1.00 0.00 C ATOM 444 C LYS A 31 3.039 6.958 -9.531 1.00 0.00 C ATOM 445 O LYS A 31 2.659 7.542 -10.546 1.00 0.00 O ATOM 446 CB LYS A 31 4.790 5.253 -10.071 1.00 0.00 C ATOM 447 CG LYS A 31 4.457 5.278 -11.555 1.00 0.00 C ATOM 448 CD LYS A 31 4.760 3.944 -12.216 1.00 0.00 C ATOM 449 CE LYS A 31 4.433 3.971 -13.700 1.00 0.00 C ATOM 450 NZ LYS A 31 5.217 5.011 -14.424 1.00 0.00 N ATOM 0 H LYS A 31 4.756 5.547 -7.543 1.00 0.00 H new ATOM 0 HA LYS A 31 5.115 7.367 -9.800 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.843 4.999 -9.948 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.213 4.462 -9.591 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.403 5.520 -11.688 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.029 6.066 -12.044 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.813 3.700 -12.079 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.184 3.157 -11.730 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.639 2.993 -14.135 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.368 4.161 -13.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.149 4.846 -15.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.836 5.952 -14.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.213 4.962 -14.130 1.00 0.00 H new ATOM 464 N TYR A 32 2.212 6.624 -8.544 1.00 0.00 N ATOM 465 CA TYR A 32 0.784 6.934 -8.602 1.00 0.00 C ATOM 466 C TYR A 32 0.336 7.686 -7.357 1.00 0.00 C ATOM 467 O TYR A 32 0.665 7.311 -6.234 1.00 0.00 O ATOM 468 CB TYR A 32 -0.040 5.654 -8.766 1.00 0.00 C ATOM 469 CG TYR A 32 0.313 4.850 -9.997 1.00 0.00 C ATOM 470 CD1 TYR A 32 0.258 5.417 -11.264 1.00 0.00 C ATOM 471 CD2 TYR A 32 0.694 3.518 -9.889 1.00 0.00 C ATOM 472 CE1 TYR A 32 0.575 4.678 -12.390 1.00 0.00 C ATOM 473 CE2 TYR A 32 1.013 2.775 -11.007 1.00 0.00 C ATOM 474 CZ TYR A 32 0.952 3.358 -12.256 1.00 0.00 C ATOM 475 OH TYR A 32 1.268 2.621 -13.372 1.00 0.00 O ATOM 0 H TYR A 32 2.504 6.140 -7.695 1.00 0.00 H new ATOM 0 HA TYR A 32 0.618 7.574 -9.469 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.099 5.029 -7.884 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.097 5.917 -8.807 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -0.037 6.450 -11.372 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.741 3.057 -8.914 1.00 0.00 H new ATOM 0 HE1 TYR A 32 0.527 5.132 -13.369 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.309 1.741 -10.905 1.00 0.00 H new ATOM 0 HH TYR A 32 1.514 1.711 -13.104 1.00 0.00 H new ATOM 485 N ASN A 33 -0.423 8.752 -7.572 1.00 0.00 N ATOM 486 CA ASN A 33 -0.935 9.566 -6.481 1.00 0.00 C ATOM 487 C ASN A 33 -2.454 9.642 -6.560 1.00 0.00 C ATOM 488 O ASN A 33 -3.069 10.571 -6.040 1.00 0.00 O ATOM 489 CB ASN A 33 -0.343 10.980 -6.545 1.00 0.00 C ATOM 490 CG ASN A 33 1.178 11.013 -6.432 1.00 0.00 C ATOM 491 OD1 ASN A 33 1.800 12.036 -6.721 1.00 0.00 O ATOM 492 ND2 ASN A 33 1.785 9.918 -5.982 1.00 0.00 N ATOM 0 H ASN A 33 -0.699 9.074 -8.500 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.645 9.105 -5.537 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -0.639 11.446 -7.485 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.771 11.580 -5.742 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.798 9.908 -5.866 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.237 9.089 -5.753 1.00 0.00 H new ATOM 499 N ILE A 34 -3.054 8.659 -7.229 1.00 0.00 N ATOM 500 CA ILE A 34 -4.506 8.626 -7.390 1.00 0.00 C ATOM 501 C ILE A 34 -5.193 8.204 -6.098 1.00 0.00 C ATOM 502 O ILE A 34 -6.293 8.662 -5.794 1.00 0.00 O ATOM 503 CB ILE A 34 -4.953 7.645 -8.494 1.00 0.00 C ATOM 504 CG1 ILE A 34 -3.887 7.520 -9.584 1.00 0.00 C ATOM 505 CG2 ILE A 34 -6.285 8.090 -9.082 1.00 0.00 C ATOM 506 CD1 ILE A 34 -4.378 6.865 -10.859 1.00 0.00 C ATOM 0 H ILE A 34 -2.561 7.880 -7.665 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.794 9.640 -7.667 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.083 6.659 -8.048 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.508 8.514 -9.822 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.048 6.944 -9.192 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.591 7.391 -9.860 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.040 8.112 -8.296 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.179 9.086 -9.511 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.562 6.815 -11.580 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.730 5.857 -10.638 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.196 7.451 -11.277 1.00 0.00 H new ATOM 518 N GLU A 35 -4.542 7.298 -5.370 1.00 0.00 N ATOM 519 CA GLU A 35 -5.071 6.749 -4.118 1.00 0.00 C ATOM 520 C GLU A 35 -5.933 5.528 -4.415 1.00 0.00 C ATOM 521 O GLU A 35 -5.892 4.533 -3.691 1.00 0.00 O ATOM 522 CB GLU A 35 -5.877 7.789 -3.329 1.00 0.00 C ATOM 523 CG GLU A 35 -5.112 9.075 -3.061 1.00 0.00 C ATOM 524 CD GLU A 35 -5.928 10.085 -2.276 1.00 0.00 C ATOM 525 OE1 GLU A 35 -6.998 10.495 -2.770 1.00 0.00 O ATOM 526 OE2 GLU A 35 -5.495 10.462 -1.167 1.00 0.00 O ATOM 0 H GLU A 35 -3.630 6.922 -5.631 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.224 6.458 -3.497 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.787 8.025 -3.880 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.184 7.354 -2.378 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.200 8.843 -2.511 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.808 9.517 -4.010 1.00 0.00 H new ATOM 533 N LYS A 36 -6.694 5.603 -5.505 1.00 0.00 N ATOM 534 CA LYS A 36 -7.545 4.498 -5.924 1.00 0.00 C ATOM 535 C LYS A 36 -6.776 3.569 -6.861 1.00 0.00 C ATOM 536 O LYS A 36 -7.159 2.417 -7.061 1.00 0.00 O ATOM 537 CB LYS A 36 -8.802 5.025 -6.619 1.00 0.00 C ATOM 538 CG LYS A 36 -8.510 5.834 -7.873 1.00 0.00 C ATOM 539 CD LYS A 36 -9.792 6.340 -8.517 1.00 0.00 C ATOM 540 CE LYS A 36 -9.504 7.141 -9.776 1.00 0.00 C ATOM 541 NZ LYS A 36 -8.806 6.324 -10.808 1.00 0.00 N ATOM 0 H LYS A 36 -6.737 6.421 -6.113 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.847 3.937 -5.040 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.442 4.183 -6.881 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.361 5.645 -5.919 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.869 6.679 -7.622 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.961 5.218 -8.586 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.436 5.495 -8.761 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.337 6.961 -7.806 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.440 7.521 -10.186 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.892 8.007 -9.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.628 6.907 -11.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.901 5.982 -10.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.401 5.512 -11.069 1.00 0.00 H new ATOM 555 N ASP A 37 -5.670 4.074 -7.410 1.00 0.00 N ATOM 556 CA ASP A 37 -4.822 3.293 -8.296 1.00 0.00 C ATOM 557 C ASP A 37 -3.760 2.592 -7.471 1.00 0.00 C ATOM 558 O ASP A 37 -3.243 1.545 -7.853 1.00 0.00 O ATOM 559 CB ASP A 37 -4.175 4.189 -9.353 1.00 0.00 C ATOM 560 CG ASP A 37 -3.265 3.417 -10.290 1.00 0.00 C ATOM 561 OD1 ASP A 37 -2.290 2.807 -9.803 1.00 0.00 O ATOM 562 OD2 ASP A 37 -3.530 3.421 -11.511 1.00 0.00 O ATOM 0 H ASP A 37 -5.344 5.027 -7.252 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.429 2.551 -8.815 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.955 4.682 -9.933 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.601 4.973 -8.859 1.00 0.00 H new ATOM 567 N ILE A 38 -3.466 3.175 -6.314 1.00 0.00 N ATOM 568 CA ILE A 38 -2.500 2.609 -5.396 1.00 0.00 C ATOM 569 C ILE A 38 -3.082 1.343 -4.809 1.00 0.00 C ATOM 570 O ILE A 38 -2.387 0.357 -4.579 1.00 0.00 O ATOM 571 CB ILE A 38 -2.186 3.576 -4.235 1.00 0.00 C ATOM 572 CG1 ILE A 38 -1.935 4.987 -4.757 1.00 0.00 C ATOM 573 CG2 ILE A 38 -0.985 3.078 -3.443 1.00 0.00 C ATOM 574 CD1 ILE A 38 -0.775 5.072 -5.712 1.00 0.00 C ATOM 0 H ILE A 38 -3.890 4.046 -5.993 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.579 2.413 -5.946 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.051 3.609 -3.573 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.834 5.347 -5.256 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.751 5.652 -3.913 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.775 3.770 -2.627 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.202 2.091 -3.035 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.117 3.016 -4.099 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.652 6.103 -6.044 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.134 4.742 -5.210 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.966 4.433 -6.574 1.00 0.00 H new ATOM 586 N ALA A 39 -4.386 1.388 -4.596 1.00 0.00 N ATOM 587 CA ALA A 39 -5.113 0.255 -4.048 1.00 0.00 C ATOM 588 C ALA A 39 -5.474 -0.712 -5.158 1.00 0.00 C ATOM 589 O ALA A 39 -5.571 -1.923 -4.948 1.00 0.00 O ATOM 590 CB ALA A 39 -6.363 0.733 -3.322 1.00 0.00 C ATOM 0 H ALA A 39 -4.966 2.203 -4.796 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.478 -0.263 -3.329 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.899 -0.125 -2.916 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.079 1.401 -2.509 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.008 1.266 -4.020 1.00 0.00 H new ATOM 596 N ALA A 40 -5.650 -0.164 -6.351 1.00 0.00 N ATOM 597 CA ALA A 40 -5.982 -0.970 -7.512 1.00 0.00 C ATOM 598 C ALA A 40 -4.724 -1.568 -8.125 1.00 0.00 C ATOM 599 O ALA A 40 -4.781 -2.565 -8.843 1.00 0.00 O ATOM 600 CB ALA A 40 -6.732 -0.138 -8.542 1.00 0.00 C ATOM 0 H ALA A 40 -5.568 0.835 -6.539 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.629 -1.786 -7.190 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.973 -0.758 -9.405 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.653 0.243 -8.101 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.108 0.698 -8.858 1.00 0.00 H new ATOM 606 N TYR A 41 -3.583 -0.959 -7.821 1.00 0.00 N ATOM 607 CA TYR A 41 -2.308 -1.438 -8.338 1.00 0.00 C ATOM 608 C TYR A 41 -1.720 -2.470 -7.397 1.00 0.00 C ATOM 609 O TYR A 41 -1.082 -3.427 -7.824 1.00 0.00 O ATOM 610 CB TYR A 41 -1.326 -0.279 -8.525 1.00 0.00 C ATOM 611 CG TYR A 41 -0.032 -0.684 -9.193 1.00 0.00 C ATOM 612 CD1 TYR A 41 -0.025 -1.170 -10.495 1.00 0.00 C ATOM 613 CD2 TYR A 41 1.181 -0.583 -8.525 1.00 0.00 C ATOM 614 CE1 TYR A 41 1.154 -1.544 -11.111 1.00 0.00 C ATOM 615 CE2 TYR A 41 2.365 -0.955 -9.133 1.00 0.00 C ATOM 616 CZ TYR A 41 2.347 -1.434 -10.426 1.00 0.00 C ATOM 617 OH TYR A 41 3.523 -1.803 -11.036 1.00 0.00 O ATOM 0 H TYR A 41 -3.516 -0.136 -7.222 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.484 -1.899 -9.310 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.804 0.499 -9.120 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.102 0.157 -7.551 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -0.957 -1.257 -11.034 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.200 -0.207 -7.513 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.142 -1.920 -12.123 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.300 -0.871 -8.598 1.00 0.00 H new ATOM 0 HH TYR A 41 3.866 -2.620 -10.617 1.00 0.00 H new ATOM 627 N ILE A 42 -1.968 -2.283 -6.109 1.00 0.00 N ATOM 628 CA ILE A 42 -1.490 -3.211 -5.101 1.00 0.00 C ATOM 629 C ILE A 42 -2.348 -4.464 -5.129 1.00 0.00 C ATOM 630 O ILE A 42 -1.855 -5.582 -4.956 1.00 0.00 O ATOM 631 CB ILE A 42 -1.537 -2.582 -3.693 1.00 0.00 C ATOM 632 CG1 ILE A 42 -0.584 -1.390 -3.615 1.00 0.00 C ATOM 633 CG2 ILE A 42 -1.182 -3.613 -2.630 1.00 0.00 C ATOM 634 CD1 ILE A 42 -0.890 -0.452 -2.468 1.00 0.00 C ATOM 0 H ILE A 42 -2.499 -1.495 -5.739 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.453 -3.460 -5.325 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.553 -2.233 -3.506 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.437 -1.757 -3.513 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.631 -0.835 -4.552 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.221 -3.148 -1.645 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.894 -4.438 -2.671 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.177 -3.992 -2.812 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.176 0.372 -2.471 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.900 -0.057 -2.580 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.815 -0.994 -1.525 1.00 0.00 H new ATOM 646 N LYS A 43 -3.636 -4.270 -5.391 1.00 0.00 N ATOM 647 CA LYS A 43 -4.555 -5.390 -5.476 1.00 0.00 C ATOM 648 C LYS A 43 -4.364 -6.071 -6.818 1.00 0.00 C ATOM 649 O LYS A 43 -4.487 -7.290 -6.936 1.00 0.00 O ATOM 650 CB LYS A 43 -6.011 -4.944 -5.299 1.00 0.00 C ATOM 651 CG LYS A 43 -6.585 -4.215 -6.501 1.00 0.00 C ATOM 652 CD LYS A 43 -8.045 -3.846 -6.281 1.00 0.00 C ATOM 653 CE LYS A 43 -8.697 -3.343 -7.561 1.00 0.00 C ATOM 654 NZ LYS A 43 -10.129 -2.991 -7.352 1.00 0.00 N ATOM 0 H LYS A 43 -4.061 -3.356 -5.546 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.338 -6.088 -4.668 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.626 -5.820 -5.091 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.077 -4.293 -4.427 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.005 -3.312 -6.692 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.497 -4.844 -7.387 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.589 -4.716 -5.913 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.114 -3.078 -5.511 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.157 -2.468 -7.924 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.620 -4.109 -8.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.537 -2.653 -8.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.650 -3.832 -7.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.201 -2.242 -6.634 1.00 0.00 H new ATOM 668 N LYS A 44 -4.022 -5.270 -7.825 1.00 0.00 N ATOM 669 CA LYS A 44 -3.771 -5.803 -9.154 1.00 0.00 C ATOM 670 C LYS A 44 -2.374 -6.405 -9.201 1.00 0.00 C ATOM 671 O LYS A 44 -2.123 -7.360 -9.938 1.00 0.00 O ATOM 672 CB LYS A 44 -3.914 -4.711 -10.216 1.00 0.00 C ATOM 673 CG LYS A 44 -3.624 -5.193 -11.628 1.00 0.00 C ATOM 674 CD LYS A 44 -3.758 -4.066 -12.639 1.00 0.00 C ATOM 675 CE LYS A 44 -3.455 -4.544 -14.049 1.00 0.00 C ATOM 676 NZ LYS A 44 -3.574 -3.445 -15.048 1.00 0.00 N ATOM 0 H LYS A 44 -3.914 -4.259 -7.744 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.508 -6.577 -9.368 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.927 -4.310 -10.179 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.238 -3.891 -9.975 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.616 -5.606 -11.673 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.311 -5.999 -11.887 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.769 -3.660 -12.601 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.079 -3.256 -12.374 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.447 -4.957 -14.083 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.139 -5.350 -14.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.359 -3.813 -15.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.543 -3.067 -15.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.903 -2.686 -14.811 1.00 0.00 H new ATOM 690 N GLU A 45 -1.472 -5.852 -8.390 1.00 0.00 N ATOM 691 CA GLU A 45 -0.100 -6.347 -8.327 1.00 0.00 C ATOM 692 C GLU A 45 -0.060 -7.741 -7.720 1.00 0.00 C ATOM 693 O GLU A 45 0.731 -8.587 -8.137 1.00 0.00 O ATOM 694 CB GLU A 45 0.794 -5.395 -7.526 1.00 0.00 C ATOM 695 CG GLU A 45 1.443 -4.311 -8.372 1.00 0.00 C ATOM 696 CD GLU A 45 2.415 -4.871 -9.391 1.00 0.00 C ATOM 697 OE1 GLU A 45 2.581 -6.108 -9.439 1.00 0.00 O ATOM 698 OE2 GLU A 45 3.012 -4.073 -10.143 1.00 0.00 O ATOM 0 H GLU A 45 -1.667 -5.065 -7.771 1.00 0.00 H new ATOM 0 HA GLU A 45 0.283 -6.398 -9.346 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.200 -4.925 -6.742 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.574 -5.973 -7.031 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.668 -3.745 -8.888 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.968 -3.612 -7.721 1.00 0.00 H new ATOM 705 N PHE A 46 -0.923 -7.981 -6.740 1.00 0.00 N ATOM 706 CA PHE A 46 -0.982 -9.286 -6.099 1.00 0.00 C ATOM 707 C PHE A 46 -1.856 -10.247 -6.901 1.00 0.00 C ATOM 708 O PHE A 46 -1.452 -11.367 -7.209 1.00 0.00 O ATOM 709 CB PHE A 46 -1.512 -9.165 -4.668 1.00 0.00 C ATOM 710 CG PHE A 46 -0.576 -8.442 -3.741 1.00 0.00 C ATOM 711 CD1 PHE A 46 0.723 -8.890 -3.561 1.00 0.00 C ATOM 712 CD2 PHE A 46 -0.996 -7.321 -3.044 1.00 0.00 C ATOM 713 CE1 PHE A 46 1.587 -8.231 -2.708 1.00 0.00 C ATOM 714 CE2 PHE A 46 -0.136 -6.658 -2.189 1.00 0.00 C ATOM 715 CZ PHE A 46 1.157 -7.114 -2.020 1.00 0.00 C ATOM 0 H PHE A 46 -1.585 -7.296 -6.376 1.00 0.00 H new ATOM 0 HA PHE A 46 0.031 -9.686 -6.063 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.468 -8.642 -4.686 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.702 -10.163 -4.274 1.00 0.00 H new ATOM 0 HD1 PHE A 46 1.064 -9.765 -4.094 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.006 -6.961 -3.170 1.00 0.00 H new ATOM 0 HE1 PHE A 46 2.598 -8.589 -2.579 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.475 -5.784 -1.653 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.830 -6.598 -1.351 1.00 0.00 H new ATOM 725 N ASP A 47 -3.055 -9.797 -7.238 1.00 0.00 N ATOM 726 CA ASP A 47 -3.999 -10.607 -8.000 1.00 0.00 C ATOM 727 C ASP A 47 -3.372 -11.162 -9.280 1.00 0.00 C ATOM 728 O ASP A 47 -3.743 -12.242 -9.742 1.00 0.00 O ATOM 729 CB ASP A 47 -5.236 -9.772 -8.348 1.00 0.00 C ATOM 730 CG ASP A 47 -6.289 -10.565 -9.100 1.00 0.00 C ATOM 731 OD1 ASP A 47 -6.089 -11.781 -9.300 1.00 0.00 O ATOM 732 OD2 ASP A 47 -7.316 -9.968 -9.486 1.00 0.00 O ATOM 0 H ASP A 47 -3.401 -8.869 -6.995 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.286 -11.454 -7.378 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.672 -9.377 -7.430 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.933 -8.916 -8.951 1.00 0.00 H new ATOM 737 N LYS A 48 -2.446 -10.412 -9.867 1.00 0.00 N ATOM 738 CA LYS A 48 -1.804 -10.834 -11.110 1.00 0.00 C ATOM 739 C LYS A 48 -0.862 -12.029 -10.929 1.00 0.00 C ATOM 740 O LYS A 48 -0.359 -12.563 -11.916 1.00 0.00 O ATOM 741 CB LYS A 48 -1.053 -9.660 -11.753 1.00 0.00 C ATOM 742 CG LYS A 48 -0.016 -8.999 -10.853 1.00 0.00 C ATOM 743 CD LYS A 48 1.190 -9.893 -10.594 1.00 0.00 C ATOM 744 CE LYS A 48 1.835 -10.366 -11.888 1.00 0.00 C ATOM 745 NZ LYS A 48 2.271 -9.225 -12.741 1.00 0.00 N ATOM 0 H LYS A 48 -2.123 -9.514 -9.506 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.605 -11.164 -11.772 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.557 -10.015 -12.657 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.779 -8.908 -12.062 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.318 -8.069 -11.312 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.480 -8.737 -9.902 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.924 -9.349 -10.000 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.882 -10.757 -10.005 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.694 -10.995 -11.656 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.128 -10.984 -12.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.810 -9.586 -13.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.436 -8.707 -13.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.872 -8.585 -12.184 1.00 0.00 H new ATOM 759 N LYS A 49 -0.620 -12.454 -9.686 1.00 0.00 N ATOM 760 CA LYS A 49 0.272 -13.593 -9.447 1.00 0.00 C ATOM 761 C LYS A 49 0.434 -13.879 -7.953 1.00 0.00 C ATOM 762 O LYS A 49 1.549 -14.052 -7.460 1.00 0.00 O ATOM 763 CB LYS A 49 1.648 -13.336 -10.073 1.00 0.00 C ATOM 764 CG LYS A 49 2.565 -14.549 -10.061 1.00 0.00 C ATOM 765 CD LYS A 49 1.957 -15.714 -10.826 1.00 0.00 C ATOM 766 CE LYS A 49 2.880 -16.922 -10.828 1.00 0.00 C ATOM 767 NZ LYS A 49 3.162 -17.410 -9.449 1.00 0.00 N ATOM 0 H LYS A 49 -1.019 -12.037 -8.845 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.183 -14.466 -9.914 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.512 -13.005 -11.103 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.134 -12.520 -9.538 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.526 -14.284 -10.502 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.759 -14.850 -9.031 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.001 -15.986 -10.378 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.752 -15.409 -11.852 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.427 -17.724 -11.411 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.817 -16.661 -11.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.605 -18.350 -9.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.806 -16.748 -8.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.272 -17.474 -8.915 1.00 0.00 H new ATOM 781 N TYR A 50 -0.683 -13.947 -7.241 1.00 0.00 N ATOM 782 CA TYR A 50 -0.662 -14.232 -5.809 1.00 0.00 C ATOM 783 C TYR A 50 -1.901 -15.012 -5.404 1.00 0.00 C ATOM 784 O TYR A 50 -1.820 -15.899 -4.559 1.00 0.00 O ATOM 785 CB TYR A 50 -0.553 -12.950 -4.973 1.00 0.00 C ATOM 786 CG TYR A 50 0.819 -12.305 -5.000 1.00 0.00 C ATOM 787 CD1 TYR A 50 1.313 -11.701 -6.150 1.00 0.00 C ATOM 788 CD2 TYR A 50 1.625 -12.310 -3.869 1.00 0.00 C ATOM 789 CE1 TYR A 50 2.568 -11.121 -6.170 1.00 0.00 C ATOM 790 CE2 TYR A 50 2.879 -11.730 -3.879 1.00 0.00 C ATOM 791 CZ TYR A 50 3.346 -11.137 -5.033 1.00 0.00 C ATOM 792 OH TYR A 50 4.594 -10.560 -5.048 1.00 0.00 O ATOM 0 H TYR A 50 -1.616 -13.809 -7.630 1.00 0.00 H new ATOM 0 HA TYR A 50 0.224 -14.836 -5.612 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.288 -12.230 -5.334 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.814 -13.180 -3.940 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.706 -11.684 -7.043 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.265 -12.776 -2.964 1.00 0.00 H new ATOM 0 HE1 TYR A 50 2.937 -10.657 -7.073 1.00 0.00 H new ATOM 0 HE2 TYR A 50 3.490 -11.741 -2.988 1.00 0.00 H new ATOM 0 HH TYR A 50 5.010 -10.657 -4.166 1.00 0.00 H new ATOM 802 N ASN A 51 -3.041 -14.662 -6.021 1.00 0.00 N ATOM 803 CA ASN A 51 -4.339 -15.302 -5.767 1.00 0.00 C ATOM 804 C ASN A 51 -5.404 -14.234 -5.591 1.00 0.00 C ATOM 805 O ASN A 51 -5.326 -13.414 -4.676 1.00 0.00 O ATOM 806 CB ASN A 51 -4.326 -16.241 -4.553 1.00 0.00 C ATOM 807 CG ASN A 51 -3.633 -17.571 -4.830 1.00 0.00 C ATOM 808 OD1 ASN A 51 -3.688 -18.487 -4.010 1.00 0.00 O ATOM 809 ND2 ASN A 51 -2.957 -17.684 -5.977 1.00 0.00 N ATOM 0 H ASN A 51 -3.086 -13.918 -6.718 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.564 -15.924 -6.633 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.825 -15.744 -3.722 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.352 -16.432 -4.238 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.465 -18.550 -6.196 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.933 -16.904 -6.634 1.00 0.00 H new ATOM 816 N PRO A 52 -6.403 -14.204 -6.484 1.00 0.00 N ATOM 817 CA PRO A 52 -7.460 -13.201 -6.428 1.00 0.00 C ATOM 818 C PRO A 52 -8.224 -13.203 -5.113 1.00 0.00 C ATOM 819 O PRO A 52 -8.297 -14.219 -4.424 1.00 0.00 O ATOM 820 CB PRO A 52 -8.383 -13.562 -7.595 1.00 0.00 C ATOM 821 CG PRO A 52 -7.559 -14.407 -8.505 1.00 0.00 C ATOM 822 CD PRO A 52 -6.566 -15.118 -7.630 1.00 0.00 C ATOM 0 HA PRO A 52 -7.046 -12.195 -6.498 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.263 -14.102 -7.247 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.739 -12.667 -8.105 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.182 -15.119 -9.046 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -7.052 -13.796 -9.252 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.934 -16.095 -7.316 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.622 -15.285 -8.148 1.00 0.00 H new ATOM 830 N THR A 53 -8.792 -12.043 -4.776 1.00 0.00 N ATOM 831 CA THR A 53 -8.681 -10.855 -5.631 1.00 0.00 C ATOM 832 C THR A 53 -8.135 -9.665 -4.866 1.00 0.00 C ATOM 833 O THR A 53 -8.011 -8.564 -5.402 1.00 0.00 O ATOM 834 CB THR A 53 -10.024 -10.495 -6.229 1.00 0.00 C ATOM 835 OG1 THR A 53 -10.770 -11.661 -6.541 1.00 0.00 O ATOM 836 CG2 THR A 53 -9.875 -9.693 -7.500 1.00 0.00 C ATOM 0 H THR A 53 -9.331 -11.899 -3.922 1.00 0.00 H new ATOM 0 HA THR A 53 -7.984 -11.102 -6.431 1.00 0.00 H new ATOM 0 HB THR A 53 -10.543 -9.899 -5.478 1.00 0.00 H new ATOM 0 HG1 THR A 53 -11.634 -11.403 -6.924 1.00 0.00 H new ATOM 0 HG21 THR A 53 -10.862 -9.455 -7.898 1.00 0.00 H new ATOM 0 HG22 THR A 53 -9.337 -8.769 -7.286 1.00 0.00 H new ATOM 0 HG23 THR A 53 -9.319 -10.275 -8.235 1.00 0.00 H new ATOM 844 N TRP A 54 -7.802 -9.908 -3.617 1.00 0.00 N ATOM 845 CA TRP A 54 -7.253 -8.881 -2.742 1.00 0.00 C ATOM 846 C TRP A 54 -8.179 -7.673 -2.638 1.00 0.00 C ATOM 847 O TRP A 54 -8.830 -7.285 -3.605 1.00 0.00 O ATOM 848 CB TRP A 54 -5.877 -8.449 -3.236 1.00 0.00 C ATOM 849 CG TRP A 54 -4.917 -9.591 -3.320 1.00 0.00 C ATOM 850 CD1 TRP A 54 -4.671 -10.387 -4.400 1.00 0.00 C ATOM 851 CD2 TRP A 54 -4.112 -10.091 -2.257 1.00 0.00 C ATOM 852 NE1 TRP A 54 -3.733 -11.337 -4.076 1.00 0.00 N ATOM 853 CE2 TRP A 54 -3.376 -11.178 -2.761 1.00 0.00 C ATOM 854 CE3 TRP A 54 -3.937 -9.713 -0.926 1.00 0.00 C ATOM 855 CZ2 TRP A 54 -2.477 -11.894 -1.975 1.00 0.00 C ATOM 856 CZ3 TRP A 54 -3.048 -10.423 -0.145 1.00 0.00 C ATOM 857 CH2 TRP A 54 -2.326 -11.503 -0.671 1.00 0.00 C ATOM 0 H TRP A 54 -7.902 -10.821 -3.174 1.00 0.00 H new ATOM 0 HA TRP A 54 -7.158 -9.312 -1.745 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.975 -7.988 -4.219 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.475 -7.689 -2.566 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.143 -10.286 -5.366 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.362 -12.045 -4.710 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -4.487 -8.880 -0.514 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.920 -12.726 -2.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -2.906 -10.142 0.888 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.636 -12.038 -0.035 1.00 0.00 H new ATOM 868 N HIS A 55 -8.235 -7.086 -1.449 1.00 0.00 N ATOM 869 CA HIS A 55 -9.085 -5.924 -1.214 1.00 0.00 C ATOM 870 C HIS A 55 -8.285 -4.751 -0.649 1.00 0.00 C ATOM 871 O HIS A 55 -8.668 -4.153 0.355 1.00 0.00 O ATOM 872 CB HIS A 55 -10.229 -6.289 -0.268 1.00 0.00 C ATOM 873 CG HIS A 55 -11.151 -7.329 -0.823 1.00 0.00 C ATOM 874 ND1 HIS A 55 -10.735 -8.599 -1.168 1.00 0.00 N ATOM 875 CD2 HIS A 55 -12.476 -7.283 -1.101 1.00 0.00 C ATOM 876 CE1 HIS A 55 -11.763 -9.286 -1.633 1.00 0.00 C ATOM 877 NE2 HIS A 55 -12.831 -8.511 -1.602 1.00 0.00 N ATOM 0 H HIS A 55 -7.704 -7.394 -0.634 1.00 0.00 H new ATOM 0 HA HIS A 55 -9.500 -5.614 -2.173 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -9.812 -6.649 0.673 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -10.802 -5.391 -0.040 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -13.132 -6.437 -0.956 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -11.734 -10.308 -1.980 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -13.768 -8.781 -1.902 1.00 0.00 H new ATOM 886 N CYS A 56 -7.178 -4.421 -1.305 1.00 0.00 N ATOM 887 CA CYS A 56 -6.333 -3.314 -0.877 1.00 0.00 C ATOM 888 C CYS A 56 -7.055 -1.983 -1.053 1.00 0.00 C ATOM 889 O CYS A 56 -7.262 -1.522 -2.175 1.00 0.00 O ATOM 890 CB CYS A 56 -5.025 -3.306 -1.670 1.00 0.00 C ATOM 891 SG CYS A 56 -3.887 -1.979 -1.206 1.00 0.00 S ATOM 0 H CYS A 56 -6.845 -4.907 -2.138 1.00 0.00 H new ATOM 0 HA CYS A 56 -6.107 -3.449 0.181 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.524 -4.264 -1.533 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.257 -3.217 -2.731 1.00 0.00 H new ATOM 0 HG CYS A 56 -2.971 -2.450 -0.413 1.00 0.00 H new ATOM 897 N ILE A 57 -7.439 -1.374 0.063 1.00 0.00 N ATOM 898 CA ILE A 57 -8.138 -0.096 0.038 1.00 0.00 C ATOM 899 C ILE A 57 -7.277 1.002 0.647 1.00 0.00 C ATOM 900 O ILE A 57 -6.290 0.724 1.328 1.00 0.00 O ATOM 901 CB ILE A 57 -9.469 -0.174 0.810 1.00 0.00 C ATOM 902 CG1 ILE A 57 -10.268 -1.397 0.356 1.00 0.00 C ATOM 903 CG2 ILE A 57 -10.276 1.103 0.613 1.00 0.00 C ATOM 904 CD1 ILE A 57 -11.656 -1.476 0.955 1.00 0.00 C ATOM 0 H ILE A 57 -7.277 -1.747 0.999 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.344 0.139 -1.006 1.00 0.00 H new ATOM 0 HB ILE A 57 -9.253 -0.277 1.873 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -10.352 -1.382 -0.731 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -9.716 -2.299 0.621 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -11.213 1.030 1.165 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.704 1.955 0.980 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -10.490 1.239 -0.447 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -12.161 -2.369 0.587 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -11.581 -1.523 2.041 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -12.227 -0.592 0.669 1.00 0.00 H new ATOM 916 N VAL A 58 -7.653 2.251 0.403 1.00 0.00 N ATOM 917 CA VAL A 58 -6.915 3.386 0.935 1.00 0.00 C ATOM 918 C VAL A 58 -7.868 4.403 1.558 1.00 0.00 C ATOM 919 O VAL A 58 -8.982 4.596 1.072 1.00 0.00 O ATOM 920 CB VAL A 58 -6.091 4.085 -0.165 1.00 0.00 C ATOM 921 CG1 VAL A 58 -5.240 5.198 0.427 1.00 0.00 C ATOM 922 CG2 VAL A 58 -5.227 3.079 -0.916 1.00 0.00 C ATOM 0 H VAL A 58 -8.465 2.502 -0.160 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.237 3.001 1.697 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.784 4.532 -0.878 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.666 5.678 -0.366 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.886 5.935 0.905 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.557 4.780 1.166 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.655 3.595 -1.687 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.543 2.595 -0.219 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.865 2.326 -1.380 1.00 0.00 H new ATOM 932 N GLY A 59 -7.433 5.051 2.637 1.00 0.00 N ATOM 933 CA GLY A 59 -8.279 6.033 3.291 1.00 0.00 C ATOM 934 C GLY A 59 -7.489 7.108 4.014 1.00 0.00 C ATOM 935 O GLY A 59 -6.291 7.264 3.792 1.00 0.00 O ATOM 0 H GLY A 59 -6.518 4.915 3.066 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.924 6.502 2.548 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.930 5.527 4.004 1.00 0.00 H new ATOM 939 N ARG A 60 -8.167 7.850 4.884 1.00 0.00 N ATOM 940 CA ARG A 60 -7.533 8.917 5.643 1.00 0.00 C ATOM 941 C ARG A 60 -8.090 8.968 7.058 1.00 0.00 C ATOM 942 O ARG A 60 -9.039 9.699 7.340 1.00 0.00 O ATOM 943 CB ARG A 60 -7.743 10.261 4.951 1.00 0.00 C ATOM 944 CG ARG A 60 -7.163 10.318 3.550 1.00 0.00 C ATOM 945 CD ARG A 60 -7.434 11.660 2.895 1.00 0.00 C ATOM 946 NE ARG A 60 -6.803 12.764 3.616 1.00 0.00 N ATOM 947 CZ ARG A 60 -5.486 12.934 3.709 1.00 0.00 C ATOM 948 NH1 ARG A 60 -4.657 12.103 3.091 1.00 0.00 N ATOM 949 NH2 ARG A 60 -4.997 13.946 4.412 1.00 0.00 N ATOM 0 H ARG A 60 -9.161 7.729 5.080 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.464 8.711 5.694 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.811 10.473 4.902 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -7.290 11.047 5.556 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -6.088 10.142 3.592 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.593 9.521 2.943 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -7.067 11.642 1.869 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -8.510 11.828 2.846 1.00 0.00 H new ATOM 0 HE ARG A 60 -7.408 13.445 4.075 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -5.028 11.328 2.541 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -3.649 12.239 3.166 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.630 14.594 4.881 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.988 14.077 4.484 1.00 0.00 H new ATOM 963 N SER A 61 -7.492 8.182 7.940 1.00 0.00 N ATOM 964 CA SER A 61 -7.921 8.120 9.336 1.00 0.00 C ATOM 965 C SER A 61 -9.438 7.975 9.440 1.00 0.00 C ATOM 966 O SER A 61 -10.075 8.584 10.299 1.00 0.00 O ATOM 967 CB SER A 61 -7.466 9.374 10.086 1.00 0.00 C ATOM 968 OG SER A 61 -8.014 10.544 9.506 1.00 0.00 O ATOM 0 H SER A 61 -6.704 7.574 7.716 1.00 0.00 H new ATOM 0 HA SER A 61 -7.461 7.243 9.790 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.769 9.306 11.131 1.00 0.00 H new ATOM 0 HB3 SER A 61 -6.378 9.434 10.073 1.00 0.00 H new ATOM 0 HG SER A 61 -8.715 10.295 8.868 1.00 0.00 H new ATOM 974 N GLY A 62 -10.010 7.164 8.554 1.00 0.00 N ATOM 975 CA GLY A 62 -11.448 6.955 8.556 1.00 0.00 C ATOM 976 C GLY A 62 -11.895 5.875 9.528 1.00 0.00 C ATOM 977 O GLY A 62 -13.061 5.481 9.527 1.00 0.00 O ATOM 0 H GLY A 62 -9.504 6.648 7.835 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -11.944 7.892 8.810 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.771 6.686 7.550 1.00 0.00 H new ATOM 981 N ASN A 63 -10.974 5.395 10.360 1.00 0.00 N ATOM 982 CA ASN A 63 -11.293 4.357 11.336 1.00 0.00 C ATOM 983 C ASN A 63 -11.716 3.068 10.636 1.00 0.00 C ATOM 984 O ASN A 63 -12.855 2.619 10.773 1.00 0.00 O ATOM 985 CB ASN A 63 -12.405 4.837 12.276 1.00 0.00 C ATOM 986 CG ASN A 63 -12.729 3.853 13.396 1.00 0.00 C ATOM 987 OD1 ASN A 63 -13.701 4.042 14.128 1.00 0.00 O ATOM 988 ND2 ASN A 63 -11.915 2.809 13.558 1.00 0.00 N ATOM 0 H ASN A 63 -10.003 5.707 10.378 1.00 0.00 H new ATOM 0 HA ASN A 63 -10.398 4.152 11.923 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -12.111 5.790 12.716 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -13.308 5.020 11.693 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -12.089 2.138 14.306 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -11.118 2.682 12.934 1.00 0.00 H new ATOM 995 N PHE A 64 -10.790 2.479 9.890 1.00 0.00 N ATOM 996 CA PHE A 64 -11.058 1.242 9.169 1.00 0.00 C ATOM 997 C PHE A 64 -9.917 0.248 9.353 1.00 0.00 C ATOM 998 O PHE A 64 -9.565 -0.491 8.435 1.00 0.00 O ATOM 999 CB PHE A 64 -11.290 1.533 7.683 1.00 0.00 C ATOM 1000 CG PHE A 64 -10.247 2.426 7.065 1.00 0.00 C ATOM 1001 CD1 PHE A 64 -8.954 1.972 6.852 1.00 0.00 C ATOM 1002 CD2 PHE A 64 -10.565 3.724 6.698 1.00 0.00 C ATOM 1003 CE1 PHE A 64 -8.001 2.798 6.287 1.00 0.00 C ATOM 1004 CE2 PHE A 64 -9.615 4.551 6.132 1.00 0.00 C ATOM 1005 CZ PHE A 64 -8.331 4.088 5.927 1.00 0.00 C ATOM 0 H PHE A 64 -9.844 2.840 9.769 1.00 0.00 H new ATOM 0 HA PHE A 64 -11.963 0.794 9.579 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -11.315 0.589 7.138 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -12.269 1.997 7.562 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -8.689 0.963 7.131 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -11.568 4.093 6.857 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.997 2.433 6.127 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -9.877 5.560 5.850 1.00 0.00 H new ATOM 0 HZ PHE A 64 -7.587 4.734 5.486 1.00 0.00 H new ATOM 1015 N GLY A 65 -9.351 0.233 10.555 1.00 0.00 N ATOM 1016 CA GLY A 65 -8.259 -0.675 10.852 1.00 0.00 C ATOM 1017 C GLY A 65 -8.703 -1.867 11.676 1.00 0.00 C ATOM 1018 O GLY A 65 -8.108 -2.942 11.593 1.00 0.00 O ATOM 0 H GLY A 65 -9.630 0.835 11.330 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.819 -1.026 9.919 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.479 -0.136 11.390 1.00 0.00 H new ATOM 1022 N SER A 66 -9.749 -1.680 12.477 1.00 0.00 N ATOM 1023 CA SER A 66 -10.265 -2.752 13.320 1.00 0.00 C ATOM 1024 C SER A 66 -11.690 -3.127 12.928 1.00 0.00 C ATOM 1025 O SER A 66 -12.465 -3.610 13.753 1.00 0.00 O ATOM 1026 CB SER A 66 -10.217 -2.342 14.793 1.00 0.00 C ATOM 1027 OG SER A 66 -10.715 -3.374 15.626 1.00 0.00 O ATOM 0 H SER A 66 -10.254 -0.798 12.559 1.00 0.00 H new ATOM 0 HA SER A 66 -9.631 -3.626 13.173 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.191 -2.106 15.075 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.804 -1.436 14.941 1.00 0.00 H new ATOM 0 HG SER A 66 -11.503 -3.780 15.208 1.00 0.00 H new ATOM 1033 N TYR A 67 -12.025 -2.907 11.663 1.00 0.00 N ATOM 1034 CA TYR A 67 -13.353 -3.227 11.154 1.00 0.00 C ATOM 1035 C TYR A 67 -13.273 -3.836 9.755 1.00 0.00 C ATOM 1036 O TYR A 67 -14.275 -3.915 9.044 1.00 0.00 O ATOM 1037 CB TYR A 67 -14.238 -1.976 11.123 1.00 0.00 C ATOM 1038 CG TYR A 67 -14.478 -1.355 12.481 1.00 0.00 C ATOM 1039 CD1 TYR A 67 -13.439 -0.772 13.195 1.00 0.00 C ATOM 1040 CD2 TYR A 67 -15.746 -1.355 13.049 1.00 0.00 C ATOM 1041 CE1 TYR A 67 -13.657 -0.206 14.438 1.00 0.00 C ATOM 1042 CE2 TYR A 67 -15.971 -0.790 14.291 1.00 0.00 C ATOM 1043 CZ TYR A 67 -14.924 -0.217 14.980 1.00 0.00 C ATOM 1044 OH TYR A 67 -15.146 0.347 16.215 1.00 0.00 O ATOM 0 H TYR A 67 -11.394 -2.507 10.969 1.00 0.00 H new ATOM 0 HA TYR A 67 -13.797 -3.959 11.828 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -13.776 -1.233 10.472 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -15.199 -2.235 10.679 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -12.445 -0.760 12.773 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -16.569 -1.803 12.512 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -12.838 0.242 14.981 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -16.963 -0.798 14.719 1.00 0.00 H new ATOM 0 HH TYR A 67 -16.093 0.256 16.451 1.00 0.00 H new ATOM 1054 N VAL A 68 -12.076 -4.262 9.364 1.00 0.00 N ATOM 1055 CA VAL A 68 -11.865 -4.858 8.052 1.00 0.00 C ATOM 1056 C VAL A 68 -11.655 -6.368 8.146 1.00 0.00 C ATOM 1057 O VAL A 68 -11.480 -7.040 7.129 1.00 0.00 O ATOM 1058 CB VAL A 68 -10.647 -4.235 7.352 1.00 0.00 C ATOM 1059 CG1 VAL A 68 -10.511 -4.765 5.932 1.00 0.00 C ATOM 1060 CG2 VAL A 68 -10.744 -2.719 7.358 1.00 0.00 C ATOM 0 H VAL A 68 -11.236 -4.205 9.940 1.00 0.00 H new ATOM 0 HA VAL A 68 -12.765 -4.659 7.471 1.00 0.00 H new ATOM 0 HB VAL A 68 -9.752 -4.520 7.905 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.642 -4.310 5.456 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -10.386 -5.847 5.958 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -11.408 -4.517 5.364 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.872 -2.297 6.858 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.648 -2.410 6.834 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -10.781 -2.361 8.387 1.00 0.00 H new ATOM 1070 N THR A 69 -11.671 -6.898 9.362 1.00 0.00 N ATOM 1071 CA THR A 69 -11.482 -8.325 9.571 1.00 0.00 C ATOM 1072 C THR A 69 -12.646 -9.105 8.996 1.00 0.00 C ATOM 1073 O THR A 69 -12.521 -9.756 7.958 1.00 0.00 O ATOM 1074 CB THR A 69 -11.327 -8.628 11.064 1.00 0.00 C ATOM 1075 OG1 THR A 69 -10.211 -7.942 11.602 1.00 0.00 O ATOM 1076 CG2 THR A 69 -11.148 -10.102 11.362 1.00 0.00 C ATOM 0 H THR A 69 -11.813 -6.361 10.217 1.00 0.00 H new ATOM 0 HA THR A 69 -10.572 -8.631 9.055 1.00 0.00 H new ATOM 0 HB THR A 69 -12.256 -8.292 11.524 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.130 -8.147 12.557 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.044 -10.246 12.437 1.00 0.00 H new ATOM 0 HG22 THR A 69 -12.017 -10.654 11.004 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.253 -10.469 10.859 1.00 0.00 H new ATOM 1084 N HIS A 70 -13.777 -9.038 9.682 1.00 0.00 N ATOM 1085 CA HIS A 70 -14.986 -9.744 9.260 1.00 0.00 C ATOM 1086 C HIS A 70 -14.673 -11.165 8.780 1.00 0.00 C ATOM 1087 O HIS A 70 -15.435 -11.746 8.010 1.00 0.00 O ATOM 1088 CB HIS A 70 -15.698 -8.964 8.154 1.00 0.00 C ATOM 1089 CG HIS A 70 -14.863 -8.766 6.928 1.00 0.00 C ATOM 1090 ND1 HIS A 70 -14.384 -9.811 6.166 1.00 0.00 N ATOM 1091 CD2 HIS A 70 -14.417 -7.634 6.333 1.00 0.00 C ATOM 1092 CE1 HIS A 70 -13.679 -9.331 5.157 1.00 0.00 C ATOM 1093 NE2 HIS A 70 -13.685 -8.013 5.236 1.00 0.00 N ATOM 0 H HIS A 70 -13.887 -8.498 10.541 1.00 0.00 H new ATOM 0 HA HIS A 70 -15.642 -9.820 10.127 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -16.612 -9.491 7.880 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -15.996 -7.990 8.542 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -14.603 -6.622 6.661 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -13.183 -9.917 4.397 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -13.220 -7.379 4.586 1.00 0.00 H new ATOM 1102 N GLU A 71 -13.544 -11.714 9.237 1.00 0.00 N ATOM 1103 CA GLU A 71 -13.131 -13.063 8.851 1.00 0.00 C ATOM 1104 C GLU A 71 -12.717 -13.111 7.382 1.00 0.00 C ATOM 1105 O GLU A 71 -13.116 -14.011 6.642 1.00 0.00 O ATOM 1106 CB GLU A 71 -14.254 -14.069 9.115 1.00 0.00 C ATOM 1107 CG GLU A 71 -14.717 -14.099 10.562 1.00 0.00 C ATOM 1108 CD GLU A 71 -15.832 -15.099 10.799 1.00 0.00 C ATOM 1109 OE1 GLU A 71 -16.899 -14.957 10.165 1.00 0.00 O ATOM 1110 OE2 GLU A 71 -15.638 -16.024 11.614 1.00 0.00 O ATOM 0 H GLU A 71 -12.901 -11.244 9.874 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.268 -13.334 9.460 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -15.103 -13.829 8.476 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -13.913 -15.064 8.831 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -13.872 -14.345 11.205 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -15.059 -13.105 10.851 1.00 0.00 H new ATOM 1117 N THR A 72 -11.912 -12.136 6.969 1.00 0.00 N ATOM 1118 CA THR A 72 -11.438 -12.062 5.592 1.00 0.00 C ATOM 1119 C THR A 72 -10.573 -13.262 5.248 1.00 0.00 C ATOM 1120 O THR A 72 -10.804 -13.940 4.248 1.00 0.00 O ATOM 1121 CB THR A 72 -10.642 -10.773 5.382 1.00 0.00 C ATOM 1122 OG1 THR A 72 -10.259 -10.633 4.026 1.00 0.00 O ATOM 1123 CG2 THR A 72 -9.384 -10.684 6.223 1.00 0.00 C ATOM 0 H THR A 72 -11.574 -11.385 7.571 1.00 0.00 H new ATOM 0 HA THR A 72 -12.306 -12.064 4.933 1.00 0.00 H new ATOM 0 HB THR A 72 -11.317 -9.975 5.691 1.00 0.00 H new ATOM 0 HG1 THR A 72 -9.308 -10.848 3.931 1.00 0.00 H new ATOM 0 HG21 THR A 72 -8.875 -9.742 6.018 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.648 -10.731 7.279 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.723 -11.515 5.977 1.00 0.00 H new ATOM 1131 N LYS A 73 -9.572 -13.498 6.090 1.00 0.00 N ATOM 1132 CA LYS A 73 -8.623 -14.603 5.922 1.00 0.00 C ATOM 1133 C LYS A 73 -7.402 -14.142 5.136 1.00 0.00 C ATOM 1134 O LYS A 73 -7.351 -14.276 3.914 1.00 0.00 O ATOM 1135 CB LYS A 73 -9.266 -15.817 5.239 1.00 0.00 C ATOM 1136 CG LYS A 73 -10.516 -16.320 5.945 1.00 0.00 C ATOM 1137 CD LYS A 73 -10.223 -16.714 7.383 1.00 0.00 C ATOM 1138 CE LYS A 73 -11.475 -17.198 8.095 1.00 0.00 C ATOM 1139 NZ LYS A 73 -12.069 -18.391 7.429 1.00 0.00 N ATOM 0 H LYS A 73 -9.392 -12.926 6.915 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.311 -14.915 6.919 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.520 -15.554 4.212 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.536 -16.625 5.190 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.282 -15.544 5.928 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.919 -17.178 5.407 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.468 -17.500 7.399 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.807 -15.860 7.917 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.232 -17.443 9.129 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.211 -16.394 8.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.779 -18.821 8.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.522 -18.102 6.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.321 -19.085 7.227 1.00 0.00 H new ATOM 1153 N HIS A 74 -6.435 -13.585 5.864 1.00 0.00 N ATOM 1154 CA HIS A 74 -5.187 -13.066 5.292 1.00 0.00 C ATOM 1155 C HIS A 74 -5.368 -11.618 4.866 1.00 0.00 C ATOM 1156 O HIS A 74 -6.216 -11.310 4.028 1.00 0.00 O ATOM 1157 CB HIS A 74 -4.694 -13.912 4.108 1.00 0.00 C ATOM 1158 CG HIS A 74 -4.253 -15.294 4.491 1.00 0.00 C ATOM 1159 ND1 HIS A 74 -5.089 -16.225 5.075 1.00 0.00 N ATOM 1160 CD2 HIS A 74 -3.049 -15.901 4.366 1.00 0.00 C ATOM 1161 CE1 HIS A 74 -4.417 -17.341 5.292 1.00 0.00 C ATOM 1162 NE2 HIS A 74 -3.179 -17.170 4.870 1.00 0.00 N ATOM 0 H HIS A 74 -6.494 -13.479 6.877 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.425 -13.123 6.069 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -5.493 -13.987 3.370 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -3.863 -13.396 3.627 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -2.153 -15.467 3.947 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -4.814 -18.241 5.739 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -2.437 -17.869 4.912 1.00 0.00 H new ATOM 1171 N PHE A 75 -4.583 -10.724 5.462 1.00 0.00 N ATOM 1172 CA PHE A 75 -4.688 -9.307 5.145 1.00 0.00 C ATOM 1173 C PHE A 75 -3.559 -8.498 5.774 1.00 0.00 C ATOM 1174 O PHE A 75 -2.625 -9.052 6.352 1.00 0.00 O ATOM 1175 CB PHE A 75 -6.040 -8.772 5.633 1.00 0.00 C ATOM 1176 CG PHE A 75 -6.261 -8.866 7.126 1.00 0.00 C ATOM 1177 CD1 PHE A 75 -5.294 -9.388 7.977 1.00 0.00 C ATOM 1178 CD2 PHE A 75 -7.454 -8.421 7.676 1.00 0.00 C ATOM 1179 CE1 PHE A 75 -5.517 -9.464 9.339 1.00 0.00 C ATOM 1180 CE2 PHE A 75 -7.680 -8.495 9.036 1.00 0.00 C ATOM 1181 CZ PHE A 75 -6.712 -9.017 9.869 1.00 0.00 C ATOM 0 H PHE A 75 -3.875 -10.954 6.159 1.00 0.00 H new ATOM 0 HA PHE A 75 -4.609 -9.200 4.063 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -6.131 -7.728 5.332 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -6.835 -9.320 5.128 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.357 -9.738 7.569 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -8.217 -8.011 7.031 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.757 -9.873 9.989 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -8.615 -8.144 9.448 1.00 0.00 H new ATOM 0 HZ PHE A 75 -6.888 -9.076 10.933 1.00 0.00 H new ATOM 1191 N ILE A 76 -3.670 -7.179 5.669 1.00 0.00 N ATOM 1192 CA ILE A 76 -2.684 -6.274 6.237 1.00 0.00 C ATOM 1193 C ILE A 76 -3.250 -4.870 6.355 1.00 0.00 C ATOM 1194 O ILE A 76 -4.183 -4.492 5.645 1.00 0.00 O ATOM 1195 CB ILE A 76 -1.373 -6.247 5.425 1.00 0.00 C ATOM 1196 CG1 ILE A 76 -0.467 -5.092 5.865 1.00 0.00 C ATOM 1197 CG2 ILE A 76 -1.660 -6.159 3.935 1.00 0.00 C ATOM 1198 CD1 ILE A 76 0.867 -5.068 5.154 1.00 0.00 C ATOM 0 H ILE A 76 -4.441 -6.712 5.191 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.446 -6.653 7.231 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.846 -7.181 5.621 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.982 -4.148 5.686 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.296 -5.164 6.939 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.720 -6.141 3.384 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.246 -7.025 3.626 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.220 -5.248 3.726 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.456 -4.225 5.515 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.402 -5.996 5.353 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.706 -4.965 4.081 1.00 0.00 H new ATOM 1210 N TYR A 77 -2.676 -4.113 7.270 1.00 0.00 N ATOM 1211 CA TYR A 77 -3.108 -2.743 7.520 1.00 0.00 C ATOM 1212 C TYR A 77 -1.915 -1.857 7.847 1.00 0.00 C ATOM 1213 O TYR A 77 -1.175 -2.123 8.796 1.00 0.00 O ATOM 1214 CB TYR A 77 -4.111 -2.727 8.675 1.00 0.00 C ATOM 1215 CG TYR A 77 -4.809 -1.401 8.866 1.00 0.00 C ATOM 1216 CD1 TYR A 77 -5.535 -0.829 7.831 1.00 0.00 C ATOM 1217 CD2 TYR A 77 -4.756 -0.730 10.080 1.00 0.00 C ATOM 1218 CE1 TYR A 77 -6.188 0.375 7.999 1.00 0.00 C ATOM 1219 CE2 TYR A 77 -5.405 0.476 10.258 1.00 0.00 C ATOM 1220 CZ TYR A 77 -6.121 1.025 9.215 1.00 0.00 C ATOM 1221 OH TYR A 77 -6.773 2.224 9.389 1.00 0.00 O ATOM 0 H TYR A 77 -1.903 -4.423 7.859 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.586 -2.353 6.621 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -4.861 -3.499 8.502 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -3.592 -2.988 9.597 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -5.590 -1.334 6.878 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.198 -1.158 10.899 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.749 0.807 7.183 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.352 0.986 11.208 1.00 0.00 H new ATOM 0 HH TYR A 77 -7.347 2.399 8.615 1.00 0.00 H new ATOM 1231 N PHE A 78 -1.726 -0.807 7.057 1.00 0.00 N ATOM 1232 CA PHE A 78 -0.605 0.105 7.277 1.00 0.00 C ATOM 1233 C PHE A 78 -0.947 1.535 6.867 1.00 0.00 C ATOM 1234 O PHE A 78 -1.914 1.772 6.143 1.00 0.00 O ATOM 1235 CB PHE A 78 0.636 -0.382 6.522 1.00 0.00 C ATOM 1236 CG PHE A 78 0.447 -0.482 5.035 1.00 0.00 C ATOM 1237 CD1 PHE A 78 0.272 0.655 4.266 1.00 0.00 C ATOM 1238 CD2 PHE A 78 0.445 -1.717 4.410 1.00 0.00 C ATOM 1239 CE1 PHE A 78 0.099 0.563 2.898 1.00 0.00 C ATOM 1240 CE2 PHE A 78 0.271 -1.817 3.042 1.00 0.00 C ATOM 1241 CZ PHE A 78 0.099 -0.675 2.284 1.00 0.00 C ATOM 0 H PHE A 78 -2.325 -0.566 6.267 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.393 0.111 8.346 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.463 0.297 6.728 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.923 -1.360 6.908 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.271 1.625 4.740 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.581 -2.613 4.998 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.036 1.458 2.309 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.270 -2.787 2.567 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.035 -0.749 1.215 1.00 0.00 H new ATOM 1251 N TYR A 79 -0.147 2.485 7.348 1.00 0.00 N ATOM 1252 CA TYR A 79 -0.357 3.900 7.048 1.00 0.00 C ATOM 1253 C TYR A 79 0.720 4.438 6.111 1.00 0.00 C ATOM 1254 O TYR A 79 1.791 3.849 5.966 1.00 0.00 O ATOM 1255 CB TYR A 79 -0.353 4.723 8.340 1.00 0.00 C ATOM 1256 CG TYR A 79 -1.493 4.419 9.292 1.00 0.00 C ATOM 1257 CD1 TYR A 79 -2.521 3.552 8.940 1.00 0.00 C ATOM 1258 CD2 TYR A 79 -1.539 5.012 10.550 1.00 0.00 C ATOM 1259 CE1 TYR A 79 -3.559 3.286 9.812 1.00 0.00 C ATOM 1260 CE2 TYR A 79 -2.574 4.747 11.426 1.00 0.00 C ATOM 1261 CZ TYR A 79 -3.581 3.884 11.053 1.00 0.00 C ATOM 1262 OH TYR A 79 -4.614 3.620 11.923 1.00 0.00 O ATOM 0 H TYR A 79 0.656 2.299 7.949 1.00 0.00 H new ATOM 0 HA TYR A 79 -1.325 3.989 6.555 1.00 0.00 H new ATOM 0 HB2 TYR A 79 0.590 4.553 8.859 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -0.388 5.781 8.080 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.508 3.079 7.969 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -0.753 5.691 10.846 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -4.351 2.611 9.522 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.594 5.215 12.399 1.00 0.00 H new ATOM 0 HH TYR A 79 -4.478 4.121 12.754 1.00 0.00 H new ATOM 1272 N LEU A 80 0.427 5.579 5.495 1.00 0.00 N ATOM 1273 CA LEU A 80 1.357 6.239 4.585 1.00 0.00 C ATOM 1274 C LEU A 80 1.419 7.726 4.915 1.00 0.00 C ATOM 1275 O LEU A 80 0.755 8.541 4.271 1.00 0.00 O ATOM 1276 CB LEU A 80 0.924 6.051 3.127 1.00 0.00 C ATOM 1277 CG LEU A 80 0.698 4.602 2.688 1.00 0.00 C ATOM 1278 CD1 LEU A 80 -0.543 4.027 3.355 1.00 0.00 C ATOM 1279 CD2 LEU A 80 0.580 4.520 1.172 1.00 0.00 C ATOM 0 H LEU A 80 -0.459 6.071 5.612 1.00 0.00 H new ATOM 0 HA LEU A 80 2.342 5.790 4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.002 6.609 2.965 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.682 6.494 2.481 1.00 0.00 H new ATOM 0 HG LEU A 80 1.557 4.008 3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.686 2.996 3.030 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.419 4.052 4.438 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.414 4.620 3.076 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.420 3.484 0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.262 5.127 0.839 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.498 4.890 0.715 1.00 0.00 H new ATOM 1291 N GLY A 81 2.196 8.076 5.935 1.00 0.00 N ATOM 1292 CA GLY A 81 2.296 9.465 6.341 1.00 0.00 C ATOM 1293 C GLY A 81 1.019 9.935 7.013 1.00 0.00 C ATOM 1294 O GLY A 81 0.978 10.119 8.229 1.00 0.00 O ATOM 0 H GLY A 81 2.756 7.425 6.486 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.136 9.587 7.025 1.00 0.00 H new ATOM 0 HA3 GLY A 81 2.502 10.087 5.470 1.00 0.00 H new ATOM 1298 N GLN A 82 -0.031 10.103 6.215 1.00 0.00 N ATOM 1299 CA GLN A 82 -1.329 10.527 6.728 1.00 0.00 C ATOM 1300 C GLN A 82 -2.460 9.691 6.130 1.00 0.00 C ATOM 1301 O GLN A 82 -3.627 9.878 6.475 1.00 0.00 O ATOM 1302 CB GLN A 82 -1.578 12.010 6.439 1.00 0.00 C ATOM 1303 CG GLN A 82 -1.524 12.373 4.962 1.00 0.00 C ATOM 1304 CD GLN A 82 -0.138 12.210 4.367 1.00 0.00 C ATOM 1305 OE1 GLN A 82 0.820 12.840 4.814 1.00 0.00 O ATOM 1306 NE2 GLN A 82 -0.027 11.363 3.351 1.00 0.00 N ATOM 0 H GLN A 82 -0.008 9.951 5.207 1.00 0.00 H new ATOM 0 HA GLN A 82 -1.314 10.375 7.807 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.555 12.287 6.835 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -0.837 12.603 6.975 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -2.226 11.746 4.413 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.850 13.405 4.834 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -0.848 10.862 3.013 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.880 11.213 2.908 1.00 0.00 H new ATOM 1315 N VAL A 83 -2.113 8.764 5.237 1.00 0.00 N ATOM 1316 CA VAL A 83 -3.100 7.905 4.603 1.00 0.00 C ATOM 1317 C VAL A 83 -3.143 6.552 5.304 1.00 0.00 C ATOM 1318 O VAL A 83 -2.181 6.155 5.958 1.00 0.00 O ATOM 1319 CB VAL A 83 -2.778 7.687 3.109 1.00 0.00 C ATOM 1320 CG1 VAL A 83 -3.965 7.092 2.370 1.00 0.00 C ATOM 1321 CG2 VAL A 83 -2.337 8.990 2.458 1.00 0.00 C ATOM 0 H VAL A 83 -1.153 8.592 4.939 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.068 8.399 4.684 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.955 6.975 3.046 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.707 6.951 1.321 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.224 6.130 2.813 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.817 7.768 2.446 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.115 8.814 1.405 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.135 9.727 2.542 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.444 9.363 2.960 1.00 0.00 H new ATOM 1331 N ALA A 84 -4.256 5.848 5.168 1.00 0.00 N ATOM 1332 CA ALA A 84 -4.404 4.543 5.791 1.00 0.00 C ATOM 1333 C ALA A 84 -4.858 3.505 4.776 1.00 0.00 C ATOM 1334 O ALA A 84 -5.936 3.623 4.194 1.00 0.00 O ATOM 1335 CB ALA A 84 -5.380 4.619 6.954 1.00 0.00 C ATOM 0 H ALA A 84 -5.068 6.158 4.633 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.431 4.235 6.175 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -5.480 3.634 7.410 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -5.008 5.326 7.696 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -6.353 4.951 6.592 1.00 0.00 H new ATOM 1341 N ILE A 85 -4.036 2.482 4.574 1.00 0.00 N ATOM 1342 CA ILE A 85 -4.359 1.422 3.634 1.00 0.00 C ATOM 1343 C ILE A 85 -4.772 0.164 4.368 1.00 0.00 C ATOM 1344 O ILE A 85 -4.323 -0.099 5.484 1.00 0.00 O ATOM 1345 CB ILE A 85 -3.182 1.115 2.684 1.00 0.00 C ATOM 1346 CG1 ILE A 85 -3.149 2.148 1.563 1.00 0.00 C ATOM 1347 CG2 ILE A 85 -3.289 -0.292 2.105 1.00 0.00 C ATOM 1348 CD1 ILE A 85 -2.022 1.941 0.575 1.00 0.00 C ATOM 0 H ILE A 85 -3.141 2.366 5.050 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.194 1.774 3.029 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.255 1.168 3.255 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.098 2.120 1.028 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.058 3.142 2.000 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.445 -0.477 1.440 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.279 -1.021 2.916 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.219 -0.385 1.545 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.064 2.714 -0.192 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.066 1.999 1.096 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.122 0.961 0.109 1.00 0.00 H new ATOM 1360 N LEU A 86 -5.636 -0.608 3.733 1.00 0.00 N ATOM 1361 CA LEU A 86 -6.116 -1.841 4.336 1.00 0.00 C ATOM 1362 C LEU A 86 -6.338 -2.937 3.293 1.00 0.00 C ATOM 1363 O LEU A 86 -7.408 -3.033 2.692 1.00 0.00 O ATOM 1364 CB LEU A 86 -7.418 -1.587 5.108 1.00 0.00 C ATOM 1365 CG LEU A 86 -8.535 -0.900 4.314 1.00 0.00 C ATOM 1366 CD1 LEU A 86 -9.841 -0.939 5.088 1.00 0.00 C ATOM 1367 CD2 LEU A 86 -8.155 0.538 3.997 1.00 0.00 C ATOM 0 H LEU A 86 -6.017 -0.407 2.809 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.346 -2.186 5.026 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.793 -2.542 5.477 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.189 -0.976 5.981 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.671 -1.440 3.377 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.622 -0.447 4.509 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -10.124 -1.975 5.272 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.715 -0.423 6.040 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.959 1.011 3.433 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.993 1.085 4.926 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.240 0.550 3.404 1.00 0.00 H new ATOM 1379 N LEU A 87 -5.329 -3.779 3.104 1.00 0.00 N ATOM 1380 CA LEU A 87 -5.418 -4.890 2.162 1.00 0.00 C ATOM 1381 C LEU A 87 -5.983 -6.111 2.874 1.00 0.00 C ATOM 1382 O LEU A 87 -5.844 -6.237 4.088 1.00 0.00 O ATOM 1383 CB LEU A 87 -4.037 -5.190 1.568 1.00 0.00 C ATOM 1384 CG LEU A 87 -3.949 -6.441 0.688 1.00 0.00 C ATOM 1385 CD1 LEU A 87 -2.694 -6.393 -0.170 1.00 0.00 C ATOM 1386 CD2 LEU A 87 -3.951 -7.701 1.543 1.00 0.00 C ATOM 0 H LEU A 87 -4.436 -3.714 3.592 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.085 -4.623 1.342 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.721 -4.330 0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.325 -5.293 2.386 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.822 -6.465 0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.643 -7.288 -0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.723 -5.510 -0.808 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.815 -6.347 0.473 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.888 -8.578 0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.095 -7.684 2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.871 -7.744 2.125 1.00 0.00 H new ATOM 1398 N PHE A 88 -6.630 -7.000 2.127 1.00 0.00 N ATOM 1399 CA PHE A 88 -7.222 -8.200 2.712 1.00 0.00 C ATOM 1400 C PHE A 88 -7.911 -9.049 1.650 1.00 0.00 C ATOM 1401 O PHE A 88 -8.416 -8.525 0.658 1.00 0.00 O ATOM 1402 CB PHE A 88 -8.241 -7.821 3.794 1.00 0.00 C ATOM 1403 CG PHE A 88 -9.399 -7.005 3.284 1.00 0.00 C ATOM 1404 CD1 PHE A 88 -9.216 -5.695 2.869 1.00 0.00 C ATOM 1405 CD2 PHE A 88 -10.669 -7.552 3.217 1.00 0.00 C ATOM 1406 CE1 PHE A 88 -10.278 -4.946 2.399 1.00 0.00 C ATOM 1407 CE2 PHE A 88 -11.735 -6.808 2.748 1.00 0.00 C ATOM 1408 CZ PHE A 88 -11.540 -5.504 2.339 1.00 0.00 C ATOM 0 H PHE A 88 -6.758 -6.914 1.119 1.00 0.00 H new ATOM 0 HA PHE A 88 -6.414 -8.781 3.157 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -8.625 -8.732 4.252 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -7.732 -7.260 4.578 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -8.231 -5.254 2.914 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.828 -8.572 3.535 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -10.121 -3.926 2.079 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.721 -7.247 2.701 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.372 -4.921 1.973 1.00 0.00 H new ATOM 1418 N LYS A 89 -7.945 -10.360 1.873 1.00 0.00 N ATOM 1419 CA LYS A 89 -8.589 -11.270 0.939 1.00 0.00 C ATOM 1420 C LYS A 89 -9.882 -11.807 1.539 1.00 0.00 C ATOM 1421 O LYS A 89 -9.865 -12.738 2.341 1.00 0.00 O ATOM 1422 CB LYS A 89 -7.660 -12.430 0.598 1.00 0.00 C ATOM 1423 CG LYS A 89 -8.252 -13.415 -0.387 1.00 0.00 C ATOM 1424 CD LYS A 89 -8.222 -12.853 -1.793 1.00 0.00 C ATOM 1425 CE LYS A 89 -6.796 -12.779 -2.322 1.00 0.00 C ATOM 1426 NZ LYS A 89 -6.139 -14.115 -2.331 1.00 0.00 N ATOM 0 H LYS A 89 -7.535 -10.812 2.690 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.818 -10.722 0.025 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.732 -12.032 0.187 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.401 -12.958 1.516 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.694 -14.351 -0.353 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.279 -13.646 -0.105 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -8.826 -13.478 -2.451 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.668 -11.859 -1.800 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -6.804 -12.371 -3.333 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -6.215 -12.093 -1.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.533 -14.198 -3.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -5.559 -14.223 -1.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -6.865 -14.859 -2.353 1.00 0.00 H new ATOM 1440 N SER A 90 -10.998 -11.206 1.153 1.00 0.00 N ATOM 1441 CA SER A 90 -12.303 -11.614 1.663 1.00 0.00 C ATOM 1442 C SER A 90 -12.968 -12.630 0.741 1.00 0.00 C ATOM 1443 O SER A 90 -14.195 -12.704 0.662 1.00 0.00 O ATOM 1444 CB SER A 90 -13.209 -10.399 1.820 1.00 0.00 C ATOM 1445 OG SER A 90 -13.421 -9.754 0.577 1.00 0.00 O ATOM 0 H SER A 90 -11.028 -10.433 0.488 1.00 0.00 H new ATOM 0 HA SER A 90 -12.147 -12.083 2.635 1.00 0.00 H new ATOM 0 HB2 SER A 90 -14.166 -10.708 2.240 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.762 -9.698 2.525 1.00 0.00 H new ATOM 0 HG SER A 90 -14.006 -8.979 0.706 1.00 0.00 H new ATOM 1451 N GLY A 91 -12.151 -13.407 0.052 1.00 0.00 N ATOM 1452 CA GLY A 91 -12.668 -14.412 -0.857 1.00 0.00 C ATOM 1453 C GLY A 91 -12.687 -13.937 -2.298 1.00 0.00 C ATOM 1454 O GLY A 91 -12.919 -14.773 -3.195 1.00 0.00 O ATOM 1455 OXT GLY A 91 -12.471 -12.728 -2.526 1.00 0.00 O ATOM 0 H GLY A 91 -11.133 -13.361 0.104 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -12.058 -15.313 -0.783 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -13.679 -14.685 -0.555 1.00 0.00 H new TER 1459 GLY A 91