USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 937 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 77 GLN : amide:sc= -2.61! C(o=-6.6!,f=-15!) USER MOD Set 1.2: A 79 HIS : no HE2:sc= -4.02! C(o=-6.6!,f=-7.7!) USER MOD Single : A 1 MET CE :methyl -165:sc= 0 (180deg=-0.225) USER MOD Single : A 1 MET N :NH3+ 144:sc= 0.0461 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 167:sc= -1.77 (180deg=-2.57) USER MOD Single : A 14 LYS NZ :NH3+ 160:sc= -0.0261 (180deg=-0.251) USER MOD Single : A 16 SER OG : rot 73:sc= 0.422 USER MOD Single : A 19 ASN : amide:sc= -1.85! C(o=-1.9!,f=-8.6!) USER MOD Single : A 20 THR OG1 : rot -71:sc= 0.136 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 174:sc= -6.41! (180deg=-6.54!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.337 USER MOD Single : A 42 ASN : amide:sc= -0.368 X(o=-0.37,f=-0.003) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 148:sc= -2.26 (180deg=-6.24!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -132:sc= -1.34! USER MOD Single : A 54 THR OG1 : rot 44:sc= -2.28! USER MOD Single : A 56 THR OG1 : rot 94:sc= 0 USER MOD Single : A 57 SER OG : rot 22:sc= 0.51 USER MOD Single : A 59 CYS SG : rot 90:sc= -0.24! USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 179:sc= 0 (180deg=-0.000108) USER MOD Single : A 70 LYS NZ :NH3+ -162:sc= 0.996 (180deg=0.655) USER MOD Single : A 72 THR OG1 : rot -59:sc= 1.23 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0148 USER MOD Single : A 75 LYS NZ :NH3+ -144:sc= -0.221 (180deg=-1.19!) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 82 GLN : amide:sc= -0.318 K(o=-0.32,f=-2.4!) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HD1:sc= -0.102 X(o=-0.1,f=-0.47) USER MOD Single : A 109 HIS : no HD1:sc= -0.177 K(o=-0.18,f=-0.72) USER MOD Single : A 110 HIS : no HD1:sc= -0.354 K(o=-0.35,f=-1.6) USER MOD Single : A 111 HIS : no HD1:sc= -0.415 X(o=-0.42,f=-0.67) USER MOD Single : A 112 HIS : no HD1:sc= -0.416 X(o=-0.42,f=-0.57) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.274 12.808 0.289 1.00 0.00 N ATOM 2 CA MET A 1 -15.878 13.045 0.753 1.00 0.00 C ATOM 3 C MET A 1 -15.873 13.241 2.270 1.00 0.00 C ATOM 4 O MET A 1 -16.817 13.749 2.843 1.00 0.00 O ATOM 5 CB MET A 1 -15.321 14.299 0.075 1.00 0.00 C ATOM 6 CG MET A 1 -13.803 14.349 0.260 1.00 0.00 C ATOM 7 SD MET A 1 -13.306 16.029 0.715 1.00 0.00 S ATOM 8 CE MET A 1 -13.747 16.825 -0.848 1.00 0.00 C ATOM 0 H1 MET A 1 -17.412 13.257 -0.639 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.444 11.785 0.208 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.942 13.217 0.974 1.00 0.00 H new ATOM 0 HA MET A 1 -15.258 12.187 0.495 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.568 14.291 -0.987 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.780 15.191 0.503 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.497 13.645 1.034 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.304 14.047 -0.661 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.286 17.812 -0.897 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.391 16.217 -1.679 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.830 16.927 -0.911 1.00 0.00 H new ATOM 20 N GLU A 2 -14.818 12.843 2.927 1.00 0.00 N ATOM 21 CA GLU A 2 -14.755 13.008 4.406 1.00 0.00 C ATOM 22 C GLU A 2 -13.495 12.324 4.949 1.00 0.00 C ATOM 23 O GLU A 2 -12.639 12.974 5.514 1.00 0.00 O ATOM 24 CB GLU A 2 -15.996 12.381 5.045 1.00 0.00 C ATOM 25 CG GLU A 2 -16.844 13.473 5.701 1.00 0.00 C ATOM 26 CD GLU A 2 -16.005 14.219 6.741 1.00 0.00 C ATOM 27 OE1 GLU A 2 -15.125 13.600 7.316 1.00 0.00 O ATOM 28 OE2 GLU A 2 -16.256 15.395 6.942 1.00 0.00 O ATOM 0 H GLU A 2 -13.997 12.411 2.503 1.00 0.00 H new ATOM 0 HA GLU A 2 -14.720 14.070 4.649 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -16.581 11.857 4.289 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -15.700 11.641 5.788 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -17.207 14.169 4.945 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -17.721 13.031 6.175 1.00 0.00 H new ATOM 35 N PRO A 3 -13.416 11.028 4.760 1.00 0.00 N ATOM 36 CA PRO A 3 -12.274 10.255 5.226 1.00 0.00 C ATOM 37 C PRO A 3 -11.041 10.564 4.372 1.00 0.00 C ATOM 38 O PRO A 3 -11.109 10.614 3.160 1.00 0.00 O ATOM 39 CB PRO A 3 -12.699 8.802 5.049 1.00 0.00 C ATOM 40 CG PRO A 3 -13.763 8.870 3.912 1.00 0.00 C ATOM 41 CD PRO A 3 -14.460 10.251 4.074 1.00 0.00 C ATOM 0 HA PRO A 3 -12.006 10.484 6.257 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.856 8.168 4.773 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.119 8.392 5.968 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -13.295 8.779 2.932 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -14.482 8.055 3.999 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -14.732 10.688 3.113 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -15.374 10.182 4.663 1.00 0.00 H new ATOM 49 N LYS A 4 -9.915 10.768 4.996 1.00 0.00 N ATOM 50 CA LYS A 4 -8.679 11.069 4.222 1.00 0.00 C ATOM 51 C LYS A 4 -7.823 9.805 4.126 1.00 0.00 C ATOM 52 O LYS A 4 -6.805 9.683 4.776 1.00 0.00 O ATOM 53 CB LYS A 4 -7.890 12.171 4.931 1.00 0.00 C ATOM 54 CG LYS A 4 -8.690 13.476 4.890 1.00 0.00 C ATOM 55 CD LYS A 4 -8.090 14.411 3.838 1.00 0.00 C ATOM 56 CE LYS A 4 -8.223 15.860 4.308 1.00 0.00 C ATOM 57 NZ LYS A 4 -8.004 16.779 3.155 1.00 0.00 N ATOM 0 H LYS A 4 -9.797 10.739 6.009 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.946 11.404 3.220 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.693 11.885 5.964 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.923 12.309 4.448 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.733 13.268 4.654 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.674 13.955 5.869 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -7.041 14.166 3.674 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.601 14.278 2.884 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.212 16.025 4.736 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -7.497 16.067 5.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -8.094 17.765 3.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -7.051 16.627 2.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -8.713 16.587 2.419 1.00 0.00 H new ATOM 71 N ARG A 5 -8.229 8.860 3.321 1.00 0.00 N ATOM 72 CA ARG A 5 -7.440 7.603 3.183 1.00 0.00 C ATOM 73 C ARG A 5 -7.430 6.857 4.520 1.00 0.00 C ATOM 74 O ARG A 5 -7.253 7.443 5.569 1.00 0.00 O ATOM 75 CB ARG A 5 -6.004 7.941 2.776 1.00 0.00 C ATOM 76 CG ARG A 5 -6.016 8.719 1.459 1.00 0.00 C ATOM 77 CD ARG A 5 -5.653 10.181 1.726 1.00 0.00 C ATOM 78 NE ARG A 5 -5.892 10.986 0.494 1.00 0.00 N ATOM 79 CZ ARG A 5 -5.291 12.134 0.338 1.00 0.00 C ATOM 80 NH1 ARG A 5 -4.087 12.177 -0.167 1.00 0.00 N ATOM 81 NH2 ARG A 5 -5.892 13.239 0.686 1.00 0.00 N ATOM 0 H ARG A 5 -9.075 8.905 2.752 1.00 0.00 H new ATOM 0 HA ARG A 5 -7.894 6.973 2.418 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -5.524 8.532 3.555 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -5.421 7.026 2.665 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -5.306 8.279 0.758 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -7.001 8.657 0.996 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -6.251 10.571 2.550 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -4.608 10.258 2.027 1.00 0.00 H new ATOM 0 HE ARG A 5 -6.525 10.640 -0.227 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -3.617 11.314 -0.439 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -3.617 13.074 -0.289 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -6.832 13.206 1.080 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -5.422 14.136 0.564 1.00 0.00 H new ATOM 95 N ILE A 6 -7.616 5.564 4.489 1.00 0.00 N ATOM 96 CA ILE A 6 -7.615 4.779 5.757 1.00 0.00 C ATOM 97 C ILE A 6 -6.297 5.018 6.501 1.00 0.00 C ATOM 98 O ILE A 6 -6.270 5.610 7.563 1.00 0.00 O ATOM 99 CB ILE A 6 -7.760 3.287 5.431 1.00 0.00 C ATOM 100 CG1 ILE A 6 -9.211 2.987 5.046 1.00 0.00 C ATOM 101 CG2 ILE A 6 -7.379 2.449 6.654 1.00 0.00 C ATOM 102 CD1 ILE A 6 -9.342 1.507 4.676 1.00 0.00 C ATOM 0 H ILE A 6 -7.768 5.018 3.641 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.448 5.095 6.385 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.100 3.037 4.601 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -9.876 3.226 5.876 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -9.513 3.612 4.205 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.484 1.390 6.417 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.346 2.658 6.931 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.036 2.701 7.487 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -10.374 1.291 4.401 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -8.688 1.283 3.833 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -9.057 0.892 5.530 1.00 0.00 H new ATOM 114 N ARG A 7 -5.206 4.561 5.952 1.00 0.00 N ATOM 115 CA ARG A 7 -3.890 4.760 6.624 1.00 0.00 C ATOM 116 C ARG A 7 -2.988 5.626 5.744 1.00 0.00 C ATOM 117 O ARG A 7 -3.073 5.598 4.533 1.00 0.00 O ATOM 118 CB ARG A 7 -3.229 3.404 6.856 1.00 0.00 C ATOM 119 CG ARG A 7 -3.318 3.052 8.339 1.00 0.00 C ATOM 120 CD ARG A 7 -2.001 3.411 9.022 1.00 0.00 C ATOM 121 NE ARG A 7 -2.178 4.654 9.827 1.00 0.00 N ATOM 122 CZ ARG A 7 -2.467 4.569 11.097 1.00 0.00 C ATOM 123 NH1 ARG A 7 -3.548 3.945 11.481 1.00 0.00 N ATOM 124 NH2 ARG A 7 -1.677 5.110 11.985 1.00 0.00 N ATOM 0 H ARG A 7 -5.168 4.058 5.066 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.044 5.259 7.581 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.722 2.638 6.257 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.187 3.435 6.539 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.142 3.593 8.804 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.526 1.989 8.461 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.678 2.592 9.665 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.220 3.557 8.275 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.074 5.568 9.386 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.167 3.524 10.788 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -3.773 3.879 12.474 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.833 5.599 11.686 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -1.904 5.043 12.977 1.00 0.00 H new ATOM 138 N GLU A 8 -2.124 6.399 6.344 1.00 0.00 N ATOM 139 CA GLU A 8 -1.216 7.269 5.546 1.00 0.00 C ATOM 140 C GLU A 8 0.010 7.618 6.387 1.00 0.00 C ATOM 141 O GLU A 8 -0.101 7.975 7.543 1.00 0.00 O ATOM 142 CB GLU A 8 -1.942 8.555 5.159 1.00 0.00 C ATOM 143 CG GLU A 8 -2.686 9.105 6.377 1.00 0.00 C ATOM 144 CD GLU A 8 -4.192 9.053 6.123 1.00 0.00 C ATOM 145 OE1 GLU A 8 -4.762 7.985 6.277 1.00 0.00 O ATOM 146 OE2 GLU A 8 -4.749 10.081 5.780 1.00 0.00 O ATOM 0 H GLU A 8 -2.008 6.465 7.355 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.910 6.741 4.643 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.228 9.292 4.792 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.644 8.360 4.348 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.436 8.521 7.263 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.375 10.131 6.573 1.00 0.00 H new ATOM 153 N GLY A 9 1.176 7.521 5.819 1.00 0.00 N ATOM 154 CA GLY A 9 2.403 7.848 6.584 1.00 0.00 C ATOM 155 C GLY A 9 3.543 8.122 5.610 1.00 0.00 C ATOM 156 O GLY A 9 3.337 8.599 4.512 1.00 0.00 O ATOM 0 H GLY A 9 1.331 7.228 4.854 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.231 8.720 7.215 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.664 7.022 7.245 1.00 0.00 H new ATOM 160 N TYR A 10 4.743 7.822 6.002 1.00 0.00 N ATOM 161 CA TYR A 10 5.905 8.067 5.102 1.00 0.00 C ATOM 162 C TYR A 10 6.880 6.890 5.170 1.00 0.00 C ATOM 163 O TYR A 10 7.783 6.868 5.982 1.00 0.00 O ATOM 164 CB TYR A 10 6.627 9.343 5.542 1.00 0.00 C ATOM 165 CG TYR A 10 7.075 9.196 6.977 1.00 0.00 C ATOM 166 CD1 TYR A 10 6.122 9.116 8.002 1.00 0.00 C ATOM 167 CD2 TYR A 10 8.441 9.142 7.285 1.00 0.00 C ATOM 168 CE1 TYR A 10 6.536 8.980 9.334 1.00 0.00 C ATOM 169 CE2 TYR A 10 8.854 9.005 8.618 1.00 0.00 C ATOM 170 CZ TYR A 10 7.901 8.924 9.642 1.00 0.00 C ATOM 171 OH TYR A 10 8.308 8.790 10.954 1.00 0.00 O ATOM 0 H TYR A 10 4.974 7.416 6.909 1.00 0.00 H new ATOM 0 HA TYR A 10 5.545 8.176 4.079 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.487 9.528 4.898 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.964 10.202 5.443 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.069 9.159 7.765 1.00 0.00 H new ATOM 0 HD2 TYR A 10 9.176 9.206 6.496 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.802 8.918 10.124 1.00 0.00 H new ATOM 0 HE2 TYR A 10 9.907 8.962 8.855 1.00 0.00 H new ATOM 0 HH TYR A 10 9.287 8.766 10.992 1.00 0.00 H new ATOM 181 N LEU A 11 6.718 5.921 4.310 1.00 0.00 N ATOM 182 CA LEU A 11 7.656 4.762 4.318 1.00 0.00 C ATOM 183 C LEU A 11 8.344 4.678 2.957 1.00 0.00 C ATOM 184 O LEU A 11 7.916 5.289 2.001 1.00 0.00 O ATOM 185 CB LEU A 11 6.900 3.454 4.569 1.00 0.00 C ATOM 186 CG LEU A 11 5.681 3.687 5.466 1.00 0.00 C ATOM 187 CD1 LEU A 11 6.049 4.627 6.614 1.00 0.00 C ATOM 188 CD2 LEU A 11 4.550 4.294 4.635 1.00 0.00 C ATOM 0 H LEU A 11 5.981 5.881 3.606 1.00 0.00 H new ATOM 0 HA LEU A 11 8.387 4.905 5.114 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.580 3.027 3.619 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.566 2.729 5.036 1.00 0.00 H new ATOM 0 HG LEU A 11 5.352 2.736 5.885 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.176 4.787 7.247 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.850 4.183 7.205 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.384 5.582 6.209 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.681 4.461 5.271 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.878 5.244 4.212 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.284 3.611 3.829 1.00 0.00 H new ATOM 200 N VAL A 12 9.402 3.924 2.857 1.00 0.00 N ATOM 201 CA VAL A 12 10.105 3.809 1.546 1.00 0.00 C ATOM 202 C VAL A 12 9.435 2.717 0.710 1.00 0.00 C ATOM 203 O VAL A 12 9.188 1.627 1.180 1.00 0.00 O ATOM 204 CB VAL A 12 11.581 3.469 1.784 1.00 0.00 C ATOM 205 CG1 VAL A 12 11.694 2.419 2.889 1.00 0.00 C ATOM 206 CG2 VAL A 12 12.204 2.921 0.495 1.00 0.00 C ATOM 0 H VAL A 12 9.810 3.384 3.620 1.00 0.00 H new ATOM 0 HA VAL A 12 10.046 4.755 1.009 1.00 0.00 H new ATOM 0 HB VAL A 12 12.111 4.373 2.084 1.00 0.00 H new ATOM 0 HG11 VAL A 12 12.744 2.179 3.057 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.260 2.811 3.809 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.159 1.518 2.591 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.253 2.681 0.671 1.00 0.00 H new ATOM 0 HG22 VAL A 12 11.672 2.020 0.188 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.130 3.671 -0.292 1.00 0.00 H new ATOM 216 N LYS A 13 9.134 3.008 -0.527 1.00 0.00 N ATOM 217 CA LYS A 13 8.472 1.994 -1.397 1.00 0.00 C ATOM 218 C LYS A 13 9.210 1.907 -2.734 1.00 0.00 C ATOM 219 O LYS A 13 9.811 2.862 -3.186 1.00 0.00 O ATOM 220 CB LYS A 13 7.019 2.409 -1.644 1.00 0.00 C ATOM 221 CG LYS A 13 6.092 1.208 -1.434 1.00 0.00 C ATOM 222 CD LYS A 13 5.015 1.195 -2.524 1.00 0.00 C ATOM 223 CE LYS A 13 3.901 0.206 -2.159 1.00 0.00 C ATOM 224 NZ LYS A 13 3.834 0.048 -0.681 1.00 0.00 N ATOM 0 H LYS A 13 9.319 3.906 -0.973 1.00 0.00 H new ATOM 0 HA LYS A 13 8.496 1.021 -0.905 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.742 3.216 -0.966 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.908 2.792 -2.658 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.667 0.282 -1.465 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.627 1.262 -0.450 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.598 2.195 -2.645 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.459 0.917 -3.480 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.945 0.564 -2.540 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.090 -0.759 -2.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.953 -0.440 -0.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.648 -0.511 -0.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.855 0.985 -0.230 1.00 0.00 H new ATOM 238 N LYS A 14 9.167 0.771 -3.375 1.00 0.00 N ATOM 239 CA LYS A 14 9.863 0.628 -4.684 1.00 0.00 C ATOM 240 C LYS A 14 9.120 1.446 -5.743 1.00 0.00 C ATOM 241 O LYS A 14 7.931 1.289 -5.939 1.00 0.00 O ATOM 242 CB LYS A 14 9.875 -0.846 -5.098 1.00 0.00 C ATOM 243 CG LYS A 14 11.244 -1.453 -4.789 1.00 0.00 C ATOM 244 CD LYS A 14 11.991 -1.721 -6.097 1.00 0.00 C ATOM 245 CE LYS A 14 11.453 -3.000 -6.744 1.00 0.00 C ATOM 246 NZ LYS A 14 10.743 -2.656 -8.009 1.00 0.00 N ATOM 0 H LYS A 14 8.680 -0.064 -3.049 1.00 0.00 H new ATOM 0 HA LYS A 14 10.888 0.988 -4.594 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.096 -1.390 -4.565 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.657 -0.937 -6.162 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.821 -0.774 -4.161 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.124 -2.381 -4.230 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.868 -0.878 -6.777 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.059 -1.821 -5.904 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.272 -3.689 -6.950 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.774 -3.508 -6.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.676 -3.502 -8.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.787 -2.312 -7.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.270 -1.914 -8.512 1.00 0.00 H new ATOM 260 N GLY A 15 9.808 2.317 -6.428 1.00 0.00 N ATOM 261 CA GLY A 15 9.135 3.141 -7.472 1.00 0.00 C ATOM 262 C GLY A 15 10.146 4.098 -8.105 1.00 0.00 C ATOM 263 O GLY A 15 10.738 4.922 -7.438 1.00 0.00 O ATOM 0 H GLY A 15 10.806 2.494 -6.311 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.703 2.495 -8.236 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.313 3.705 -7.030 1.00 0.00 H new ATOM 267 N SER A 16 10.345 3.998 -9.391 1.00 0.00 N ATOM 268 CA SER A 16 11.314 4.903 -10.071 1.00 0.00 C ATOM 269 C SER A 16 11.661 4.333 -11.447 1.00 0.00 C ATOM 270 O SER A 16 11.073 4.698 -12.445 1.00 0.00 O ATOM 271 CB SER A 16 12.586 5.018 -9.229 1.00 0.00 C ATOM 272 OG SER A 16 12.664 6.325 -8.676 1.00 0.00 O ATOM 0 H SER A 16 9.877 3.327 -10.001 1.00 0.00 H new ATOM 0 HA SER A 16 10.868 5.891 -10.188 1.00 0.00 H new ATOM 0 HB2 SER A 16 12.578 4.273 -8.433 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.463 4.818 -9.844 1.00 0.00 H new ATOM 0 HG SER A 16 12.005 6.415 -7.956 1.00 0.00 H new ATOM 278 N VAL A 17 12.607 3.437 -11.509 1.00 0.00 N ATOM 279 CA VAL A 17 12.984 2.846 -12.824 1.00 0.00 C ATOM 280 C VAL A 17 13.257 1.348 -12.645 1.00 0.00 C ATOM 281 O VAL A 17 12.779 0.527 -13.402 1.00 0.00 O ATOM 282 CB VAL A 17 14.235 3.549 -13.361 1.00 0.00 C ATOM 283 CG1 VAL A 17 15.247 3.737 -12.230 1.00 0.00 C ATOM 284 CG2 VAL A 17 14.864 2.707 -14.476 1.00 0.00 C ATOM 0 H VAL A 17 13.134 3.089 -10.708 1.00 0.00 H new ATOM 0 HA VAL A 17 12.170 2.980 -13.536 1.00 0.00 H new ATOM 0 HB VAL A 17 13.953 4.524 -13.760 1.00 0.00 H new ATOM 0 HG11 VAL A 17 16.135 4.237 -12.616 1.00 0.00 H new ATOM 0 HG12 VAL A 17 14.803 4.344 -11.441 1.00 0.00 H new ATOM 0 HG13 VAL A 17 15.526 2.764 -11.826 1.00 0.00 H new ATOM 0 HG21 VAL A 17 15.753 3.211 -14.855 1.00 0.00 H new ATOM 0 HG22 VAL A 17 15.141 1.729 -14.081 1.00 0.00 H new ATOM 0 HG23 VAL A 17 14.146 2.581 -15.286 1.00 0.00 H new ATOM 294 N PHE A 18 14.018 0.985 -11.647 1.00 0.00 N ATOM 295 CA PHE A 18 14.311 -0.459 -11.422 1.00 0.00 C ATOM 296 C PHE A 18 14.282 -0.756 -9.922 1.00 0.00 C ATOM 297 O PHE A 18 13.922 0.085 -9.123 1.00 0.00 O ATOM 298 CB PHE A 18 15.693 -0.804 -11.984 1.00 0.00 C ATOM 299 CG PHE A 18 16.666 0.311 -11.678 1.00 0.00 C ATOM 300 CD1 PHE A 18 17.139 0.491 -10.372 1.00 0.00 C ATOM 301 CD2 PHE A 18 17.097 1.164 -12.703 1.00 0.00 C ATOM 302 CE1 PHE A 18 18.044 1.523 -10.090 1.00 0.00 C ATOM 303 CE2 PHE A 18 18.002 2.196 -12.422 1.00 0.00 C ATOM 304 CZ PHE A 18 18.476 2.376 -11.115 1.00 0.00 C ATOM 0 H PHE A 18 14.448 1.625 -10.980 1.00 0.00 H new ATOM 0 HA PHE A 18 13.558 -1.061 -11.930 1.00 0.00 H new ATOM 0 HB2 PHE A 18 16.049 -1.738 -11.550 1.00 0.00 H new ATOM 0 HB3 PHE A 18 15.629 -0.957 -13.061 1.00 0.00 H new ATOM 0 HD1 PHE A 18 16.806 -0.166 -9.582 1.00 0.00 H new ATOM 0 HD2 PHE A 18 16.731 1.026 -13.710 1.00 0.00 H new ATOM 0 HE1 PHE A 18 18.409 1.661 -9.083 1.00 0.00 H new ATOM 0 HE2 PHE A 18 18.334 2.853 -13.212 1.00 0.00 H new ATOM 0 HZ PHE A 18 19.174 3.171 -10.898 1.00 0.00 H new ATOM 314 N ASN A 19 14.656 -1.945 -9.535 1.00 0.00 N ATOM 315 CA ASN A 19 14.649 -2.293 -8.086 1.00 0.00 C ATOM 316 C ASN A 19 15.324 -1.174 -7.291 1.00 0.00 C ATOM 317 O ASN A 19 16.526 -1.163 -7.118 1.00 0.00 O ATOM 318 CB ASN A 19 15.414 -3.600 -7.873 1.00 0.00 C ATOM 319 CG ASN A 19 16.832 -3.455 -8.427 1.00 0.00 C ATOM 320 OD1 ASN A 19 17.043 -2.789 -9.423 1.00 0.00 O ATOM 321 ND2 ASN A 19 17.821 -4.052 -7.822 1.00 0.00 N ATOM 0 H ASN A 19 14.966 -2.690 -10.159 1.00 0.00 H new ATOM 0 HA ASN A 19 13.621 -2.413 -7.745 1.00 0.00 H new ATOM 0 HB2 ASN A 19 15.450 -3.844 -6.811 1.00 0.00 H new ATOM 0 HB3 ASN A 19 14.899 -4.421 -8.372 1.00 0.00 H new ATOM 0 HD21 ASN A 19 18.770 -3.960 -8.184 1.00 0.00 H new ATOM 0 HD22 ASN A 19 17.645 -4.611 -6.987 1.00 0.00 H new ATOM 328 N THR A 20 14.562 -0.232 -6.808 1.00 0.00 N ATOM 329 CA THR A 20 15.166 0.883 -6.030 1.00 0.00 C ATOM 330 C THR A 20 14.410 1.065 -4.715 1.00 0.00 C ATOM 331 O THR A 20 13.256 0.708 -4.594 1.00 0.00 O ATOM 332 CB THR A 20 15.081 2.175 -6.842 1.00 0.00 C ATOM 333 OG1 THR A 20 13.726 2.428 -7.187 1.00 0.00 O ATOM 334 CG2 THR A 20 15.919 2.039 -8.115 1.00 0.00 C ATOM 0 H THR A 20 13.549 -0.187 -6.919 1.00 0.00 H new ATOM 0 HA THR A 20 16.209 0.648 -5.819 1.00 0.00 H new ATOM 0 HB THR A 20 15.465 3.003 -6.247 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.435 1.783 -7.865 1.00 0.00 H new ATOM 0 HG21 THR A 20 15.857 2.962 -8.692 1.00 0.00 H new ATOM 0 HG22 THR A 20 16.958 1.848 -7.848 1.00 0.00 H new ATOM 0 HG23 THR A 20 15.540 1.211 -8.713 1.00 0.00 H new ATOM 342 N TRP A 21 15.057 1.622 -3.729 1.00 0.00 N ATOM 343 CA TRP A 21 14.384 1.832 -2.418 1.00 0.00 C ATOM 344 C TRP A 21 14.514 3.300 -2.010 1.00 0.00 C ATOM 345 O TRP A 21 15.603 3.813 -1.850 1.00 0.00 O ATOM 346 CB TRP A 21 15.050 0.952 -1.361 1.00 0.00 C ATOM 347 CG TRP A 21 14.276 -0.315 -1.212 1.00 0.00 C ATOM 348 CD1 TRP A 21 13.776 -1.044 -2.235 1.00 0.00 C ATOM 349 CD2 TRP A 21 13.905 -1.013 0.010 1.00 0.00 C ATOM 350 NE1 TRP A 21 13.118 -2.146 -1.718 1.00 0.00 N ATOM 351 CE2 TRP A 21 13.172 -2.172 -0.339 1.00 0.00 C ATOM 352 CE3 TRP A 21 14.133 -0.756 1.376 1.00 0.00 C ATOM 353 CZ2 TRP A 21 12.680 -3.045 0.634 1.00 0.00 C ATOM 354 CZ3 TRP A 21 13.641 -1.634 2.357 1.00 0.00 C ATOM 355 CH2 TRP A 21 12.916 -2.775 1.986 1.00 0.00 C ATOM 0 H TRP A 21 16.025 1.941 -3.775 1.00 0.00 H new ATOM 0 HA TRP A 21 13.330 1.569 -2.502 1.00 0.00 H new ATOM 0 HB2 TRP A 21 16.078 0.732 -1.650 1.00 0.00 H new ATOM 0 HB3 TRP A 21 15.093 1.479 -0.408 1.00 0.00 H new ATOM 0 HD1 TRP A 21 13.874 -0.805 -3.284 1.00 0.00 H new ATOM 0 HE1 TRP A 21 12.650 -2.852 -2.286 1.00 0.00 H new ATOM 0 HE3 TRP A 21 14.689 0.121 1.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 12.121 -3.923 0.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 13.822 -1.429 3.402 1.00 0.00 H new ATOM 0 HH2 TRP A 21 12.540 -3.446 2.744 1.00 0.00 H new ATOM 366 N LYS A 22 13.415 3.982 -1.841 1.00 0.00 N ATOM 367 CA LYS A 22 13.493 5.416 -1.444 1.00 0.00 C ATOM 368 C LYS A 22 12.269 5.788 -0.591 1.00 0.00 C ATOM 369 O LYS A 22 11.150 5.487 -0.960 1.00 0.00 O ATOM 370 CB LYS A 22 13.518 6.288 -2.703 1.00 0.00 C ATOM 371 CG LYS A 22 14.338 5.594 -3.792 1.00 0.00 C ATOM 372 CD LYS A 22 14.298 6.431 -5.074 1.00 0.00 C ATOM 373 CE LYS A 22 15.530 7.336 -5.133 1.00 0.00 C ATOM 374 NZ LYS A 22 15.137 8.736 -4.807 1.00 0.00 N ATOM 0 H LYS A 22 12.472 3.612 -1.960 1.00 0.00 H new ATOM 0 HA LYS A 22 14.400 5.581 -0.862 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.502 6.464 -3.056 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.950 7.262 -2.474 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.368 5.467 -3.460 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.939 4.598 -3.983 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.272 5.778 -5.946 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.390 7.033 -5.099 1.00 0.00 H new ATOM 0 HE2 LYS A 22 16.285 6.986 -4.429 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.977 7.295 -6.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 15.975 9.350 -4.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 14.431 9.068 -5.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.730 8.769 -3.851 1.00 0.00 H new ATOM 388 N PRO A 23 12.516 6.440 0.524 1.00 0.00 N ATOM 389 CA PRO A 23 11.446 6.863 1.418 1.00 0.00 C ATOM 390 C PRO A 23 10.406 7.670 0.635 1.00 0.00 C ATOM 391 O PRO A 23 10.725 8.319 -0.342 1.00 0.00 O ATOM 392 CB PRO A 23 12.138 7.743 2.455 1.00 0.00 C ATOM 393 CG PRO A 23 13.617 7.252 2.425 1.00 0.00 C ATOM 394 CD PRO A 23 13.874 6.792 0.964 1.00 0.00 C ATOM 0 HA PRO A 23 10.922 6.025 1.877 1.00 0.00 H new ATOM 0 HB2 PRO A 23 12.061 8.800 2.199 1.00 0.00 H new ATOM 0 HB3 PRO A 23 11.695 7.621 3.444 1.00 0.00 H new ATOM 0 HG2 PRO A 23 14.301 8.051 2.711 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.773 6.433 3.127 1.00 0.00 H new ATOM 0 HD2 PRO A 23 14.310 7.584 0.355 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.554 5.942 0.915 1.00 0.00 H new ATOM 402 N MET A 24 9.168 7.640 1.047 1.00 0.00 N ATOM 403 CA MET A 24 8.129 8.412 0.311 1.00 0.00 C ATOM 404 C MET A 24 6.832 8.451 1.116 1.00 0.00 C ATOM 405 O MET A 24 6.637 7.695 2.050 1.00 0.00 O ATOM 406 CB MET A 24 7.850 7.746 -1.036 1.00 0.00 C ATOM 407 CG MET A 24 7.303 6.335 -0.815 1.00 0.00 C ATOM 408 SD MET A 24 7.537 5.356 -2.319 1.00 0.00 S ATOM 409 CE MET A 24 6.010 5.854 -3.154 1.00 0.00 C ATOM 0 H MET A 24 8.833 7.117 1.856 1.00 0.00 H new ATOM 0 HA MET A 24 8.494 9.427 0.158 1.00 0.00 H new ATOM 0 HB2 MET A 24 7.133 8.339 -1.603 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.765 7.702 -1.627 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.815 5.862 0.023 1.00 0.00 H new ATOM 0 HG3 MET A 24 6.245 6.380 -0.558 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.997 5.444 -4.164 1.00 0.00 H new ATOM 0 HE2 MET A 24 5.152 5.477 -2.598 1.00 0.00 H new ATOM 0 HE3 MET A 24 5.961 6.942 -3.204 1.00 0.00 H new ATOM 419 N TRP A 25 5.933 9.319 0.740 1.00 0.00 N ATOM 420 CA TRP A 25 4.636 9.406 1.454 1.00 0.00 C ATOM 421 C TRP A 25 3.658 8.461 0.783 1.00 0.00 C ATOM 422 O TRP A 25 3.707 8.246 -0.412 1.00 0.00 O ATOM 423 CB TRP A 25 4.098 10.833 1.385 1.00 0.00 C ATOM 424 CG TRP A 25 2.826 10.930 2.164 1.00 0.00 C ATOM 425 CD1 TRP A 25 1.582 10.905 1.632 1.00 0.00 C ATOM 426 CD2 TRP A 25 2.654 11.062 3.604 1.00 0.00 C ATOM 427 NE1 TRP A 25 0.656 11.030 2.655 1.00 0.00 N ATOM 428 CE2 TRP A 25 1.269 11.127 3.889 1.00 0.00 C ATOM 429 CE3 TRP A 25 3.559 11.134 4.676 1.00 0.00 C ATOM 430 CZ2 TRP A 25 0.801 11.262 5.198 1.00 0.00 C ATOM 431 CZ3 TRP A 25 3.092 11.267 5.995 1.00 0.00 C ATOM 432 CH2 TRP A 25 1.715 11.332 6.254 1.00 0.00 C ATOM 0 H TRP A 25 6.045 9.973 -0.035 1.00 0.00 H new ATOM 0 HA TRP A 25 4.769 9.133 2.501 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.835 11.529 1.785 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.923 11.116 0.347 1.00 0.00 H new ATOM 0 HD1 TRP A 25 1.349 10.804 0.582 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -0.354 11.048 2.514 1.00 0.00 H new ATOM 0 HE3 TRP A 25 4.621 11.087 4.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -0.260 11.312 5.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 3.796 11.319 6.812 1.00 0.00 H new ATOM 0 HH2 TRP A 25 1.361 11.436 7.269 1.00 0.00 H new ATOM 443 N VAL A 26 2.787 7.872 1.538 1.00 0.00 N ATOM 444 CA VAL A 26 1.834 6.918 0.926 1.00 0.00 C ATOM 445 C VAL A 26 0.527 6.894 1.724 1.00 0.00 C ATOM 446 O VAL A 26 0.527 6.865 2.938 1.00 0.00 O ATOM 447 CB VAL A 26 2.495 5.539 0.910 1.00 0.00 C ATOM 448 CG1 VAL A 26 3.304 5.349 2.191 1.00 0.00 C ATOM 449 CG2 VAL A 26 1.435 4.440 0.798 1.00 0.00 C ATOM 0 H VAL A 26 2.692 8.007 2.545 1.00 0.00 H new ATOM 0 HA VAL A 26 1.589 7.219 -0.092 1.00 0.00 H new ATOM 0 HB VAL A 26 3.157 5.473 0.046 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.776 4.366 2.181 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.072 6.120 2.254 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.642 5.425 3.054 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.922 3.465 0.788 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.758 4.499 1.650 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.869 4.573 -0.124 1.00 0.00 H new ATOM 459 N VAL A 27 -0.587 6.906 1.043 1.00 0.00 N ATOM 460 CA VAL A 27 -1.898 6.882 1.750 1.00 0.00 C ATOM 461 C VAL A 27 -2.737 5.721 1.220 1.00 0.00 C ATOM 462 O VAL A 27 -3.297 5.790 0.143 1.00 0.00 O ATOM 463 CB VAL A 27 -2.645 8.189 1.491 1.00 0.00 C ATOM 464 CG1 VAL A 27 -2.038 9.309 2.340 1.00 0.00 C ATOM 465 CG2 VAL A 27 -2.521 8.547 0.012 1.00 0.00 C ATOM 0 H VAL A 27 -0.645 6.931 0.025 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.727 6.762 2.820 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.695 8.069 1.757 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.574 10.239 2.152 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.120 9.050 3.396 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.988 9.436 2.078 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.052 9.479 -0.182 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.469 8.668 -0.246 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.954 7.750 -0.593 1.00 0.00 H new ATOM 475 N LEU A 28 -2.835 4.657 1.964 1.00 0.00 N ATOM 476 CA LEU A 28 -3.645 3.502 1.498 1.00 0.00 C ATOM 477 C LEU A 28 -5.128 3.812 1.710 1.00 0.00 C ATOM 478 O LEU A 28 -5.600 3.912 2.826 1.00 0.00 O ATOM 479 CB LEU A 28 -3.259 2.255 2.289 1.00 0.00 C ATOM 480 CG LEU A 28 -3.455 2.511 3.783 1.00 0.00 C ATOM 481 CD1 LEU A 28 -4.449 1.494 4.350 1.00 0.00 C ATOM 482 CD2 LEU A 28 -2.111 2.366 4.500 1.00 0.00 C ATOM 0 H LEU A 28 -2.389 4.538 2.874 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.458 3.324 0.439 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.869 1.409 1.972 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.220 1.993 2.088 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.843 3.518 3.934 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.589 1.677 5.415 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.405 1.594 3.836 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.062 0.486 4.202 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.246 2.548 5.566 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.725 1.358 4.350 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.403 3.089 4.095 1.00 0.00 H new ATOM 494 N LEU A 29 -5.862 3.972 0.644 1.00 0.00 N ATOM 495 CA LEU A 29 -7.312 4.284 0.775 1.00 0.00 C ATOM 496 C LEU A 29 -8.113 2.979 0.829 1.00 0.00 C ATOM 497 O LEU A 29 -7.648 1.933 0.421 1.00 0.00 O ATOM 498 CB LEU A 29 -7.763 5.115 -0.426 1.00 0.00 C ATOM 499 CG LEU A 29 -6.729 6.209 -0.704 1.00 0.00 C ATOM 500 CD1 LEU A 29 -5.714 5.700 -1.729 1.00 0.00 C ATOM 501 CD2 LEU A 29 -7.435 7.445 -1.263 1.00 0.00 C ATOM 0 H LEU A 29 -5.519 3.900 -0.314 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.482 4.850 1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.877 4.476 -1.302 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.737 5.562 -0.228 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.216 6.468 0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.977 6.478 -1.928 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.212 4.816 -1.336 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.229 5.443 -2.654 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.700 8.225 -1.462 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.946 7.184 -2.189 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.162 7.808 -0.537 1.00 0.00 H new ATOM 513 N GLU A 30 -9.314 3.034 1.338 1.00 0.00 N ATOM 514 CA GLU A 30 -10.148 1.803 1.435 1.00 0.00 C ATOM 515 C GLU A 30 -10.604 1.364 0.043 1.00 0.00 C ATOM 516 O GLU A 30 -11.055 0.255 -0.147 1.00 0.00 O ATOM 517 CB GLU A 30 -11.374 2.090 2.304 1.00 0.00 C ATOM 518 CG GLU A 30 -12.264 3.123 1.611 1.00 0.00 C ATOM 519 CD GLU A 30 -13.661 3.092 2.235 1.00 0.00 C ATOM 520 OE1 GLU A 30 -13.748 3.189 3.449 1.00 0.00 O ATOM 521 OE2 GLU A 30 -14.619 2.971 1.490 1.00 0.00 O ATOM 0 H GLU A 30 -9.755 3.883 1.692 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.555 1.005 1.882 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.933 1.170 2.476 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.062 2.461 3.280 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.831 4.118 1.712 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.326 2.909 0.544 1.00 0.00 H new ATOM 528 N ASP A 31 -10.495 2.223 -0.933 1.00 0.00 N ATOM 529 CA ASP A 31 -10.928 1.840 -2.307 1.00 0.00 C ATOM 530 C ASP A 31 -9.709 1.757 -3.227 1.00 0.00 C ATOM 531 O ASP A 31 -9.833 1.582 -4.422 1.00 0.00 O ATOM 532 CB ASP A 31 -11.900 2.893 -2.841 1.00 0.00 C ATOM 533 CG ASP A 31 -13.335 2.487 -2.498 1.00 0.00 C ATOM 534 OD1 ASP A 31 -13.753 2.748 -1.382 1.00 0.00 O ATOM 535 OD2 ASP A 31 -13.991 1.923 -3.358 1.00 0.00 O ATOM 0 H ASP A 31 -10.127 3.170 -0.840 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.421 0.868 -2.275 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.673 3.866 -2.406 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.787 2.992 -3.921 1.00 0.00 H new ATOM 540 N GLY A 32 -8.531 1.883 -2.681 1.00 0.00 N ATOM 541 CA GLY A 32 -7.307 1.811 -3.531 1.00 0.00 C ATOM 542 C GLY A 32 -6.100 2.292 -2.726 1.00 0.00 C ATOM 543 O GLY A 32 -6.162 2.416 -1.522 1.00 0.00 O ATOM 0 H GLY A 32 -8.362 2.032 -1.686 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.147 0.788 -3.871 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.433 2.427 -4.422 1.00 0.00 H new ATOM 547 N ILE A 33 -5.005 2.566 -3.381 1.00 0.00 N ATOM 548 CA ILE A 33 -3.799 3.046 -2.648 1.00 0.00 C ATOM 549 C ILE A 33 -3.055 4.059 -3.515 1.00 0.00 C ATOM 550 O ILE A 33 -2.649 3.765 -4.621 1.00 0.00 O ATOM 551 CB ILE A 33 -2.877 1.863 -2.335 1.00 0.00 C ATOM 552 CG1 ILE A 33 -3.489 1.021 -1.212 1.00 0.00 C ATOM 553 CG2 ILE A 33 -1.511 2.385 -1.884 1.00 0.00 C ATOM 554 CD1 ILE A 33 -3.795 -0.383 -1.735 1.00 0.00 C ATOM 0 H ILE A 33 -4.893 2.478 -4.391 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.105 3.517 -1.714 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.759 1.251 -3.229 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.800 0.964 -0.369 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.402 1.491 -0.847 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.855 1.543 -1.661 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.071 2.987 -2.679 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.632 2.997 -0.990 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.231 -0.982 -0.935 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.500 -0.317 -2.564 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.873 -0.852 -2.079 1.00 0.00 H new ATOM 566 N GLU A 34 -2.871 5.250 -3.020 1.00 0.00 N ATOM 567 CA GLU A 34 -2.153 6.284 -3.813 1.00 0.00 C ATOM 568 C GLU A 34 -1.024 6.861 -2.966 1.00 0.00 C ATOM 569 O GLU A 34 -1.257 7.487 -1.950 1.00 0.00 O ATOM 570 CB GLU A 34 -3.122 7.403 -4.198 1.00 0.00 C ATOM 571 CG GLU A 34 -4.446 6.796 -4.667 1.00 0.00 C ATOM 572 CD GLU A 34 -5.579 7.795 -4.423 1.00 0.00 C ATOM 573 OE1 GLU A 34 -5.290 8.887 -3.964 1.00 0.00 O ATOM 574 OE2 GLU A 34 -6.716 7.450 -4.700 1.00 0.00 O ATOM 0 H GLU A 34 -3.188 5.552 -2.099 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.746 5.835 -4.719 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.293 8.059 -3.345 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.690 8.015 -4.990 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.389 6.546 -5.726 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.643 5.868 -4.131 1.00 0.00 H new ATOM 581 N PHE A 35 0.200 6.655 -3.361 1.00 0.00 N ATOM 582 CA PHE A 35 1.328 7.198 -2.554 1.00 0.00 C ATOM 583 C PHE A 35 2.179 8.139 -3.411 1.00 0.00 C ATOM 584 O PHE A 35 2.343 7.939 -4.598 1.00 0.00 O ATOM 585 CB PHE A 35 2.184 6.041 -2.030 1.00 0.00 C ATOM 586 CG PHE A 35 2.496 5.083 -3.153 1.00 0.00 C ATOM 587 CD1 PHE A 35 3.404 5.454 -4.154 1.00 0.00 C ATOM 588 CD2 PHE A 35 1.882 3.825 -3.196 1.00 0.00 C ATOM 589 CE1 PHE A 35 3.697 4.566 -5.198 1.00 0.00 C ATOM 590 CE2 PHE A 35 2.175 2.937 -4.241 1.00 0.00 C ATOM 591 CZ PHE A 35 3.083 3.309 -5.241 1.00 0.00 C ATOM 0 H PHE A 35 0.468 6.139 -4.199 1.00 0.00 H new ATOM 0 HA PHE A 35 0.930 7.760 -1.709 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.109 6.427 -1.602 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.656 5.519 -1.231 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.878 6.424 -4.121 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.183 3.539 -2.424 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.397 4.852 -5.969 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.701 1.967 -4.275 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.309 2.625 -6.046 1.00 0.00 H new ATOM 601 N TYR A 36 2.717 9.168 -2.812 1.00 0.00 N ATOM 602 CA TYR A 36 3.555 10.133 -3.579 1.00 0.00 C ATOM 603 C TYR A 36 4.867 10.362 -2.830 1.00 0.00 C ATOM 604 O TYR A 36 5.188 9.661 -1.891 1.00 0.00 O ATOM 605 CB TYR A 36 2.827 11.479 -3.709 1.00 0.00 C ATOM 606 CG TYR A 36 1.328 11.279 -3.669 1.00 0.00 C ATOM 607 CD1 TYR A 36 0.701 10.846 -2.492 1.00 0.00 C ATOM 608 CD2 TYR A 36 0.563 11.538 -4.813 1.00 0.00 C ATOM 609 CE1 TYR A 36 -0.690 10.670 -2.463 1.00 0.00 C ATOM 610 CE2 TYR A 36 -0.826 11.362 -4.784 1.00 0.00 C ATOM 611 CZ TYR A 36 -1.453 10.927 -3.611 1.00 0.00 C ATOM 612 OH TYR A 36 -2.821 10.754 -3.582 1.00 0.00 O ATOM 0 H TYR A 36 2.611 9.382 -1.820 1.00 0.00 H new ATOM 0 HA TYR A 36 3.747 9.724 -4.571 1.00 0.00 H new ATOM 0 HB2 TYR A 36 3.132 12.143 -2.901 1.00 0.00 H new ATOM 0 HB3 TYR A 36 3.110 11.963 -4.644 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.289 10.648 -1.608 1.00 0.00 H new ATOM 0 HD2 TYR A 36 1.045 11.874 -5.719 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.173 10.337 -1.557 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.414 11.562 -5.668 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.197 10.976 -4.459 1.00 0.00 H new ATOM 622 N LYS A 37 5.619 11.354 -3.224 1.00 0.00 N ATOM 623 CA LYS A 37 6.897 11.643 -2.519 1.00 0.00 C ATOM 624 C LYS A 37 6.576 12.426 -1.246 1.00 0.00 C ATOM 625 O LYS A 37 7.137 12.187 -0.195 1.00 0.00 O ATOM 626 CB LYS A 37 7.806 12.479 -3.423 1.00 0.00 C ATOM 627 CG LYS A 37 9.107 11.718 -3.686 1.00 0.00 C ATOM 628 CD LYS A 37 9.866 12.390 -4.832 1.00 0.00 C ATOM 629 CE LYS A 37 11.158 13.010 -4.296 1.00 0.00 C ATOM 630 NZ LYS A 37 10.884 14.398 -3.824 1.00 0.00 N ATOM 0 H LYS A 37 5.402 11.975 -4.003 1.00 0.00 H new ATOM 0 HA LYS A 37 7.408 10.713 -2.270 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.301 12.693 -4.365 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.022 13.438 -2.952 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.722 11.705 -2.786 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.890 10.680 -3.938 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.096 11.659 -5.608 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.245 13.159 -5.292 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.551 12.407 -3.478 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.919 13.023 -5.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.762 14.820 -3.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.527 14.970 -4.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.171 14.373 -3.067 1.00 0.00 H new ATOM 644 N LYS A 38 5.659 13.352 -1.336 1.00 0.00 N ATOM 645 CA LYS A 38 5.272 14.149 -0.140 1.00 0.00 C ATOM 646 C LYS A 38 3.831 13.794 0.230 1.00 0.00 C ATOM 647 O LYS A 38 3.227 12.932 -0.375 1.00 0.00 O ATOM 648 CB LYS A 38 5.367 15.641 -0.466 1.00 0.00 C ATOM 649 CG LYS A 38 6.504 16.270 0.341 1.00 0.00 C ATOM 650 CD LYS A 38 7.778 16.299 -0.508 1.00 0.00 C ATOM 651 CE LYS A 38 8.867 15.471 0.176 1.00 0.00 C ATOM 652 NZ LYS A 38 9.556 16.309 1.199 1.00 0.00 N ATOM 0 H LYS A 38 5.159 13.591 -2.193 1.00 0.00 H new ATOM 0 HA LYS A 38 5.939 13.926 0.693 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.544 15.780 -1.532 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.424 16.136 -0.232 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.233 17.281 0.644 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.675 15.699 1.254 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.574 15.901 -1.502 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.117 17.327 -0.640 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.429 14.591 0.646 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.585 15.114 -0.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.297 15.748 1.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.986 17.136 0.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.866 16.629 1.908 1.00 0.00 H new ATOM 666 N LYS A 39 3.267 14.442 1.212 1.00 0.00 N ATOM 667 CA LYS A 39 1.865 14.113 1.591 1.00 0.00 C ATOM 668 C LYS A 39 1.005 14.038 0.324 1.00 0.00 C ATOM 669 O LYS A 39 -0.013 13.376 0.294 1.00 0.00 O ATOM 670 CB LYS A 39 1.318 15.178 2.553 1.00 0.00 C ATOM 671 CG LYS A 39 -0.218 15.197 2.501 1.00 0.00 C ATOM 672 CD LYS A 39 -0.783 15.527 3.883 1.00 0.00 C ATOM 673 CE LYS A 39 -0.080 14.667 4.927 1.00 0.00 C ATOM 674 NZ LYS A 39 -1.070 14.179 5.929 1.00 0.00 N ATOM 0 H LYS A 39 3.711 15.177 1.763 1.00 0.00 H new ATOM 0 HA LYS A 39 1.838 13.148 2.098 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.653 14.968 3.569 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.711 16.158 2.284 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.557 15.936 1.775 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.591 14.228 2.168 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.637 16.584 4.106 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.857 15.342 3.904 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.410 13.821 4.445 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.699 15.246 5.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.586 13.593 6.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.518 14.992 6.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.798 13.611 5.450 1.00 0.00 H new ATOM 688 N SER A 40 1.408 14.706 -0.722 1.00 0.00 N ATOM 689 CA SER A 40 0.614 14.664 -1.982 1.00 0.00 C ATOM 690 C SER A 40 1.553 14.825 -3.177 1.00 0.00 C ATOM 691 O SER A 40 1.502 14.068 -4.127 1.00 0.00 O ATOM 692 CB SER A 40 -0.408 15.802 -1.988 1.00 0.00 C ATOM 693 OG SER A 40 -0.821 16.068 -0.655 1.00 0.00 O ATOM 0 H SER A 40 2.252 15.278 -0.758 1.00 0.00 H new ATOM 0 HA SER A 40 0.093 13.709 -2.047 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.029 16.697 -2.431 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.268 15.531 -2.600 1.00 0.00 H new ATOM 0 HG SER A 40 -1.475 16.798 -0.655 1.00 0.00 H new ATOM 699 N ASP A 41 2.409 15.810 -3.138 1.00 0.00 N ATOM 700 CA ASP A 41 3.352 16.027 -4.268 1.00 0.00 C ATOM 701 C ASP A 41 2.558 16.314 -5.544 1.00 0.00 C ATOM 702 O ASP A 41 3.093 16.333 -6.635 1.00 0.00 O ATOM 703 CB ASP A 41 4.208 14.771 -4.437 1.00 0.00 C ATOM 704 CG ASP A 41 4.915 14.791 -5.793 1.00 0.00 C ATOM 705 OD1 ASP A 41 5.458 15.825 -6.141 1.00 0.00 O ATOM 706 OD2 ASP A 41 4.901 13.770 -6.461 1.00 0.00 O ATOM 0 H ASP A 41 2.495 16.475 -2.369 1.00 0.00 H new ATOM 0 HA ASP A 41 4.001 16.879 -4.066 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.945 14.714 -3.636 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.582 13.882 -4.358 1.00 0.00 H new ATOM 711 N ASN A 42 1.278 16.542 -5.419 1.00 0.00 N ATOM 712 CA ASN A 42 0.450 16.824 -6.622 1.00 0.00 C ATOM 713 C ASN A 42 0.822 15.846 -7.741 1.00 0.00 C ATOM 714 O ASN A 42 0.602 16.111 -8.906 1.00 0.00 O ATOM 715 CB ASN A 42 0.703 18.259 -7.092 1.00 0.00 C ATOM 716 CG ASN A 42 0.191 19.236 -6.033 1.00 0.00 C ATOM 717 OD1 ASN A 42 0.885 20.159 -5.654 1.00 0.00 O ATOM 718 ND2 ASN A 42 -1.004 19.071 -5.533 1.00 0.00 N ATOM 0 H ASN A 42 0.772 16.545 -4.534 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.604 16.705 -6.372 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.768 18.415 -7.263 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.198 18.437 -8.042 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.354 19.716 -4.825 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.587 18.297 -5.850 1.00 0.00 H new ATOM 725 N SER A 43 1.385 14.716 -7.399 1.00 0.00 N ATOM 726 CA SER A 43 1.767 13.729 -8.450 1.00 0.00 C ATOM 727 C SER A 43 2.190 12.414 -7.785 1.00 0.00 C ATOM 728 O SER A 43 3.281 12.314 -7.260 1.00 0.00 O ATOM 729 CB SER A 43 2.936 14.285 -9.263 1.00 0.00 C ATOM 730 OG SER A 43 2.933 13.689 -10.554 1.00 0.00 O ATOM 0 H SER A 43 1.596 14.436 -6.441 1.00 0.00 H new ATOM 0 HA SER A 43 0.917 13.547 -9.107 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.852 15.368 -9.349 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.878 14.078 -8.756 1.00 0.00 H new ATOM 0 HG SER A 43 3.680 14.044 -11.080 1.00 0.00 H new ATOM 736 N PRO A 44 1.314 11.439 -7.819 1.00 0.00 N ATOM 737 CA PRO A 44 1.589 10.143 -7.219 1.00 0.00 C ATOM 738 C PRO A 44 2.614 9.372 -8.054 1.00 0.00 C ATOM 739 O PRO A 44 2.635 9.459 -9.267 1.00 0.00 O ATOM 740 CB PRO A 44 0.243 9.429 -7.222 1.00 0.00 C ATOM 741 CG PRO A 44 -0.525 10.105 -8.400 1.00 0.00 C ATOM 742 CD PRO A 44 -0.005 11.570 -8.455 1.00 0.00 C ATOM 0 HA PRO A 44 2.009 10.228 -6.217 1.00 0.00 H new ATOM 0 HB2 PRO A 44 0.358 8.357 -7.381 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -0.281 9.557 -6.275 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -0.335 9.587 -9.340 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -1.602 10.078 -8.233 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.068 11.941 -9.477 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -0.655 12.256 -7.913 1.00 0.00 H new ATOM 750 N LYS A 45 3.460 8.613 -7.415 1.00 0.00 N ATOM 751 CA LYS A 45 4.478 7.831 -8.170 1.00 0.00 C ATOM 752 C LYS A 45 3.894 6.462 -8.518 1.00 0.00 C ATOM 753 O LYS A 45 4.287 5.833 -9.479 1.00 0.00 O ATOM 754 CB LYS A 45 5.727 7.642 -7.308 1.00 0.00 C ATOM 755 CG LYS A 45 6.010 8.922 -6.523 1.00 0.00 C ATOM 756 CD LYS A 45 6.613 9.972 -7.458 1.00 0.00 C ATOM 757 CE LYS A 45 8.086 9.646 -7.707 1.00 0.00 C ATOM 758 NZ LYS A 45 8.579 10.437 -8.870 1.00 0.00 N ATOM 0 H LYS A 45 3.490 8.500 -6.402 1.00 0.00 H new ATOM 0 HA LYS A 45 4.747 8.365 -9.081 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.584 6.807 -6.622 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.581 7.394 -7.938 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.089 9.300 -6.080 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.696 8.714 -5.702 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.069 9.989 -8.402 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.518 10.964 -7.017 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.676 9.877 -6.820 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.206 8.580 -7.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.581 10.216 -9.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.023 10.196 -9.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.478 11.452 -8.667 1.00 0.00 H new ATOM 772 N GLY A 46 2.958 5.998 -7.737 1.00 0.00 N ATOM 773 CA GLY A 46 2.348 4.670 -8.017 1.00 0.00 C ATOM 774 C GLY A 46 1.106 4.479 -7.144 1.00 0.00 C ATOM 775 O GLY A 46 1.035 4.960 -6.027 1.00 0.00 O ATOM 0 H GLY A 46 2.590 6.481 -6.918 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.078 4.598 -9.071 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.070 3.878 -7.818 1.00 0.00 H new ATOM 779 N MET A 47 0.130 3.777 -7.646 1.00 0.00 N ATOM 780 CA MET A 47 -1.108 3.546 -6.854 1.00 0.00 C ATOM 781 C MET A 47 -1.495 2.070 -6.947 1.00 0.00 C ATOM 782 O MET A 47 -1.644 1.525 -8.022 1.00 0.00 O ATOM 783 CB MET A 47 -2.245 4.403 -7.415 1.00 0.00 C ATOM 784 CG MET A 47 -1.729 5.816 -7.693 1.00 0.00 C ATOM 785 SD MET A 47 -2.759 6.594 -8.963 1.00 0.00 S ATOM 786 CE MET A 47 -3.113 8.123 -8.061 1.00 0.00 C ATOM 0 H MET A 47 0.137 3.352 -8.573 1.00 0.00 H new ATOM 0 HA MET A 47 -0.930 3.817 -5.813 1.00 0.00 H new ATOM 0 HB2 MET A 47 -2.631 3.958 -8.332 1.00 0.00 H new ATOM 0 HB3 MET A 47 -3.072 4.439 -6.705 1.00 0.00 H new ATOM 0 HG2 MET A 47 -1.750 6.409 -6.779 1.00 0.00 H new ATOM 0 HG3 MET A 47 -0.691 5.777 -8.024 1.00 0.00 H new ATOM 0 HE1 MET A 47 -3.220 8.946 -8.768 1.00 0.00 H new ATOM 0 HE2 MET A 47 -4.038 8.007 -7.497 1.00 0.00 H new ATOM 0 HE3 MET A 47 -2.294 8.338 -7.374 1.00 0.00 H new ATOM 796 N ILE A 48 -1.663 1.419 -5.831 1.00 0.00 N ATOM 797 CA ILE A 48 -2.044 -0.018 -5.864 1.00 0.00 C ATOM 798 C ILE A 48 -3.573 -0.129 -5.876 1.00 0.00 C ATOM 799 O ILE A 48 -4.244 0.582 -5.155 1.00 0.00 O ATOM 800 CB ILE A 48 -1.489 -0.724 -4.626 1.00 0.00 C ATOM 801 CG1 ILE A 48 -0.014 -0.354 -4.452 1.00 0.00 C ATOM 802 CG2 ILE A 48 -1.617 -2.239 -4.798 1.00 0.00 C ATOM 803 CD1 ILE A 48 0.241 0.051 -3.000 1.00 0.00 C ATOM 0 H ILE A 48 -1.553 1.819 -4.899 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.633 -0.487 -6.758 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.052 -0.412 -3.746 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.619 -1.200 -4.721 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.248 0.466 -5.121 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.221 -2.740 -3.915 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.667 -2.503 -4.925 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.055 -2.554 -5.677 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.291 0.315 -2.875 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.381 0.909 -2.747 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.005 -0.782 -2.341 1.00 0.00 H new ATOM 815 N PRO A 49 -4.082 -1.012 -6.699 1.00 0.00 N ATOM 816 CA PRO A 49 -5.518 -1.211 -6.814 1.00 0.00 C ATOM 817 C PRO A 49 -6.062 -1.889 -5.555 1.00 0.00 C ATOM 818 O PRO A 49 -5.392 -2.684 -4.925 1.00 0.00 O ATOM 819 CB PRO A 49 -5.684 -2.117 -8.029 1.00 0.00 C ATOM 820 CG PRO A 49 -4.320 -2.869 -8.108 1.00 0.00 C ATOM 821 CD PRO A 49 -3.259 -1.870 -7.566 1.00 0.00 C ATOM 0 HA PRO A 49 -6.063 -0.273 -6.923 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.517 -2.808 -7.904 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.879 -1.543 -8.935 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.340 -3.781 -7.511 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.094 -3.163 -9.133 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.467 -2.373 -7.012 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.780 -1.306 -8.366 1.00 0.00 H new ATOM 829 N LEU A 50 -7.273 -1.581 -5.185 1.00 0.00 N ATOM 830 CA LEU A 50 -7.865 -2.204 -3.968 1.00 0.00 C ATOM 831 C LEU A 50 -8.550 -3.519 -4.349 1.00 0.00 C ATOM 832 O LEU A 50 -9.446 -3.981 -3.670 1.00 0.00 O ATOM 833 CB LEU A 50 -8.895 -1.245 -3.366 1.00 0.00 C ATOM 834 CG LEU A 50 -8.519 -0.920 -1.916 1.00 0.00 C ATOM 835 CD1 LEU A 50 -8.791 -2.137 -1.036 1.00 0.00 C ATOM 836 CD2 LEU A 50 -7.034 -0.555 -1.834 1.00 0.00 C ATOM 0 H LEU A 50 -7.880 -0.923 -5.674 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.081 -2.405 -3.238 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.939 -0.328 -3.954 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.888 -1.694 -3.402 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.117 -0.076 -1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.524 -1.907 -0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.849 -2.395 -1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.195 -2.980 -1.386 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.772 -0.325 -0.801 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.433 -1.395 -2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.838 0.315 -2.460 1.00 0.00 H new ATOM 848 N LYS A 51 -8.139 -4.128 -5.429 1.00 0.00 N ATOM 849 CA LYS A 51 -8.771 -5.406 -5.848 1.00 0.00 C ATOM 850 C LYS A 51 -7.802 -6.192 -6.742 1.00 0.00 C ATOM 851 O LYS A 51 -7.488 -5.782 -7.841 1.00 0.00 O ATOM 852 CB LYS A 51 -10.054 -5.095 -6.627 1.00 0.00 C ATOM 853 CG LYS A 51 -10.487 -6.326 -7.425 1.00 0.00 C ATOM 854 CD LYS A 51 -12.009 -6.331 -7.578 1.00 0.00 C ATOM 855 CE LYS A 51 -12.394 -7.130 -8.824 1.00 0.00 C ATOM 856 NZ LYS A 51 -12.385 -6.231 -10.012 1.00 0.00 N ATOM 0 H LYS A 51 -7.392 -3.793 -6.038 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.010 -6.005 -4.969 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.846 -4.800 -5.939 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.887 -4.254 -7.300 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.013 -6.320 -8.407 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.160 -7.234 -6.918 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.472 -6.770 -6.694 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.380 -5.309 -7.659 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.695 -7.953 -8.972 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.383 -7.571 -8.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.647 -6.773 -10.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.069 -5.460 -9.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.433 -5.831 -10.137 1.00 0.00 H new ATOM 870 N GLY A 52 -7.340 -7.326 -6.286 1.00 0.00 N ATOM 871 CA GLY A 52 -6.409 -8.140 -7.120 1.00 0.00 C ATOM 872 C GLY A 52 -4.956 -7.862 -6.727 1.00 0.00 C ATOM 873 O GLY A 52 -4.067 -7.907 -7.553 1.00 0.00 O ATOM 0 H GLY A 52 -7.567 -7.723 -5.374 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.630 -9.200 -6.993 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.558 -7.907 -8.174 1.00 0.00 H new ATOM 877 N SER A 53 -4.701 -7.582 -5.479 1.00 0.00 N ATOM 878 CA SER A 53 -3.296 -7.310 -5.056 1.00 0.00 C ATOM 879 C SER A 53 -2.793 -8.471 -4.201 1.00 0.00 C ATOM 880 O SER A 53 -3.539 -9.365 -3.853 1.00 0.00 O ATOM 881 CB SER A 53 -3.242 -6.015 -4.247 1.00 0.00 C ATOM 882 OG SER A 53 -4.494 -5.350 -4.343 1.00 0.00 O ATOM 0 H SER A 53 -5.399 -7.530 -4.737 1.00 0.00 H new ATOM 0 HA SER A 53 -2.665 -7.206 -5.938 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.012 -6.233 -3.204 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.446 -5.372 -4.621 1.00 0.00 H new ATOM 0 HG SER A 53 -4.347 -4.404 -4.554 1.00 0.00 H new ATOM 888 N THR A 54 -1.530 -8.481 -3.871 1.00 0.00 N ATOM 889 CA THR A 54 -0.994 -9.600 -3.061 1.00 0.00 C ATOM 890 C THR A 54 0.032 -9.072 -2.055 1.00 0.00 C ATOM 891 O THR A 54 1.108 -8.649 -2.416 1.00 0.00 O ATOM 892 CB THR A 54 -0.328 -10.591 -4.010 1.00 0.00 C ATOM 893 OG1 THR A 54 -0.400 -10.085 -5.335 1.00 0.00 O ATOM 894 CG2 THR A 54 -1.056 -11.929 -3.940 1.00 0.00 C ATOM 0 H THR A 54 -0.852 -7.764 -4.128 1.00 0.00 H new ATOM 0 HA THR A 54 -1.798 -10.086 -2.509 1.00 0.00 H new ATOM 0 HB THR A 54 0.715 -10.730 -3.724 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.171 -9.132 -5.334 1.00 0.00 H new ATOM 0 HG21 THR A 54 -0.581 -12.638 -4.618 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.011 -12.315 -2.922 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.098 -11.792 -4.230 1.00 0.00 H new ATOM 902 N LEU A 55 -0.293 -9.101 -0.790 1.00 0.00 N ATOM 903 CA LEU A 55 0.665 -8.602 0.240 1.00 0.00 C ATOM 904 C LEU A 55 1.569 -9.757 0.682 1.00 0.00 C ATOM 905 O LEU A 55 1.104 -10.834 1.001 1.00 0.00 O ATOM 906 CB LEU A 55 -0.125 -8.070 1.443 1.00 0.00 C ATOM 907 CG LEU A 55 0.823 -7.457 2.480 1.00 0.00 C ATOM 908 CD1 LEU A 55 1.576 -8.567 3.214 1.00 0.00 C ATOM 909 CD2 LEU A 55 1.827 -6.534 1.787 1.00 0.00 C ATOM 0 H LEU A 55 -1.180 -9.448 -0.425 1.00 0.00 H new ATOM 0 HA LEU A 55 1.277 -7.801 -0.173 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.844 -7.321 1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.696 -8.880 1.897 1.00 0.00 H new ATOM 0 HG LEU A 55 0.238 -6.881 3.197 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.248 -8.126 3.950 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.863 -9.218 3.719 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.155 -9.150 2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.497 -6.102 2.530 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.408 -7.106 1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.292 -5.735 1.273 1.00 0.00 H new ATOM 921 N THR A 56 2.857 -9.543 0.699 1.00 0.00 N ATOM 922 CA THR A 56 3.791 -10.630 1.116 1.00 0.00 C ATOM 923 C THR A 56 4.470 -10.239 2.430 1.00 0.00 C ATOM 924 O THR A 56 5.406 -9.466 2.450 1.00 0.00 O ATOM 925 CB THR A 56 4.855 -10.834 0.032 1.00 0.00 C ATOM 926 OG1 THR A 56 4.274 -11.500 -1.081 1.00 0.00 O ATOM 927 CG2 THR A 56 6.007 -11.677 0.588 1.00 0.00 C ATOM 0 H THR A 56 3.304 -8.663 0.442 1.00 0.00 H new ATOM 0 HA THR A 56 3.233 -11.556 1.255 1.00 0.00 H new ATOM 0 HB THR A 56 5.240 -9.864 -0.282 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.975 -10.838 -1.739 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.761 -11.819 -0.187 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.454 -11.165 1.440 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.627 -12.648 0.907 1.00 0.00 H new ATOM 935 N SER A 57 4.007 -10.764 3.530 1.00 0.00 N ATOM 936 CA SER A 57 4.631 -10.416 4.836 1.00 0.00 C ATOM 937 C SER A 57 4.867 -11.692 5.654 1.00 0.00 C ATOM 938 O SER A 57 3.964 -12.484 5.836 1.00 0.00 O ATOM 939 CB SER A 57 3.697 -9.486 5.610 1.00 0.00 C ATOM 940 OG SER A 57 2.454 -10.142 5.823 1.00 0.00 O ATOM 0 H SER A 57 3.225 -11.417 3.581 1.00 0.00 H new ATOM 0 HA SER A 57 5.585 -9.919 4.659 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.146 -9.213 6.565 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.543 -8.561 5.054 1.00 0.00 H new ATOM 0 HG SER A 57 2.581 -11.112 5.759 1.00 0.00 H new ATOM 946 N PRO A 58 6.077 -11.841 6.135 1.00 0.00 N ATOM 947 CA PRO A 58 7.139 -10.877 5.901 1.00 0.00 C ATOM 948 C PRO A 58 7.729 -11.072 4.500 1.00 0.00 C ATOM 949 O PRO A 58 7.321 -11.946 3.761 1.00 0.00 O ATOM 950 CB PRO A 58 8.177 -11.195 6.952 1.00 0.00 C ATOM 951 CG PRO A 58 7.960 -12.716 7.238 1.00 0.00 C ATOM 952 CD PRO A 58 6.451 -12.995 6.964 1.00 0.00 C ATOM 0 HA PRO A 58 6.788 -9.847 5.960 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.186 -10.995 6.592 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.035 -10.594 7.850 1.00 0.00 H new ATOM 0 HG2 PRO A 58 8.593 -13.328 6.595 1.00 0.00 H new ATOM 0 HG3 PRO A 58 8.221 -12.960 8.268 1.00 0.00 H new ATOM 0 HD2 PRO A 58 6.298 -13.940 6.442 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.870 -13.042 7.885 1.00 0.00 H new ATOM 960 N CYS A 59 8.696 -10.273 4.134 1.00 0.00 N ATOM 961 CA CYS A 59 9.320 -10.423 2.789 1.00 0.00 C ATOM 962 C CYS A 59 10.699 -11.067 2.957 1.00 0.00 C ATOM 963 O CYS A 59 11.186 -11.219 4.059 1.00 0.00 O ATOM 964 CB CYS A 59 9.470 -9.048 2.134 1.00 0.00 C ATOM 965 SG CYS A 59 10.339 -9.221 0.557 1.00 0.00 S ATOM 0 H CYS A 59 9.080 -9.523 4.709 1.00 0.00 H new ATOM 0 HA CYS A 59 8.692 -11.050 2.156 1.00 0.00 H new ATOM 0 HB2 CYS A 59 8.489 -8.601 1.973 1.00 0.00 H new ATOM 0 HB3 CYS A 59 10.021 -8.378 2.793 1.00 0.00 H new ATOM 0 HG CYS A 59 9.476 -9.421 -0.394 1.00 0.00 H new ATOM 971 N GLN A 60 11.336 -11.452 1.883 1.00 0.00 N ATOM 972 CA GLN A 60 12.678 -12.088 2.017 1.00 0.00 C ATOM 973 C GLN A 60 13.550 -11.745 0.809 1.00 0.00 C ATOM 974 O GLN A 60 13.078 -11.655 -0.307 1.00 0.00 O ATOM 975 CB GLN A 60 12.515 -13.607 2.114 1.00 0.00 C ATOM 976 CG GLN A 60 12.338 -14.011 3.579 1.00 0.00 C ATOM 977 CD GLN A 60 13.701 -14.352 4.185 1.00 0.00 C ATOM 978 OE1 GLN A 60 14.525 -13.481 4.382 1.00 0.00 O ATOM 979 NE2 GLN A 60 13.975 -15.591 4.490 1.00 0.00 N ATOM 0 H GLN A 60 10.989 -11.355 0.929 1.00 0.00 H new ATOM 0 HA GLN A 60 13.160 -11.711 2.919 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.652 -13.928 1.531 1.00 0.00 H new ATOM 0 HB3 GLN A 60 13.388 -14.104 1.692 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.873 -13.198 4.137 1.00 0.00 H new ATOM 0 HG3 GLN A 60 11.671 -14.870 3.652 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.283 -16.322 4.325 1.00 0.00 H new ATOM 0 HE22 GLN A 60 14.881 -15.828 4.894 1.00 0.00 H new ATOM 988 N ASP A 61 14.826 -11.559 1.038 1.00 0.00 N ATOM 989 CA ASP A 61 15.768 -11.225 -0.071 1.00 0.00 C ATOM 990 C ASP A 61 15.741 -9.719 -0.335 1.00 0.00 C ATOM 991 O ASP A 61 16.761 -9.060 -0.319 1.00 0.00 O ATOM 992 CB ASP A 61 15.372 -11.981 -1.343 1.00 0.00 C ATOM 993 CG ASP A 61 16.576 -12.064 -2.283 1.00 0.00 C ATOM 994 OD1 ASP A 61 17.357 -12.988 -2.133 1.00 0.00 O ATOM 995 OD2 ASP A 61 16.695 -11.203 -3.138 1.00 0.00 O ATOM 0 H ASP A 61 15.259 -11.626 1.959 1.00 0.00 H new ATOM 0 HA ASP A 61 16.776 -11.522 0.218 1.00 0.00 H new ATOM 0 HB2 ASP A 61 15.025 -12.983 -1.090 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.545 -11.473 -1.838 1.00 0.00 H new ATOM 1000 N PHE A 62 14.584 -9.165 -0.567 1.00 0.00 N ATOM 1001 CA PHE A 62 14.507 -7.698 -0.815 1.00 0.00 C ATOM 1002 C PHE A 62 14.193 -7.002 0.504 1.00 0.00 C ATOM 1003 O PHE A 62 14.916 -6.133 0.951 1.00 0.00 O ATOM 1004 CB PHE A 62 13.402 -7.396 -1.832 1.00 0.00 C ATOM 1005 CG PHE A 62 13.691 -6.079 -2.523 1.00 0.00 C ATOM 1006 CD1 PHE A 62 14.597 -5.168 -1.959 1.00 0.00 C ATOM 1007 CD2 PHE A 62 13.051 -5.771 -3.731 1.00 0.00 C ATOM 1008 CE1 PHE A 62 14.862 -3.953 -2.603 1.00 0.00 C ATOM 1009 CE2 PHE A 62 13.317 -4.555 -4.375 1.00 0.00 C ATOM 1010 CZ PHE A 62 14.221 -3.647 -3.811 1.00 0.00 C ATOM 0 H PHE A 62 13.693 -9.661 -0.596 1.00 0.00 H new ATOM 0 HA PHE A 62 15.456 -7.339 -1.214 1.00 0.00 H new ATOM 0 HB2 PHE A 62 13.342 -8.198 -2.567 1.00 0.00 H new ATOM 0 HB3 PHE A 62 12.435 -7.350 -1.331 1.00 0.00 H new ATOM 0 HD1 PHE A 62 15.090 -5.404 -1.028 1.00 0.00 H new ATOM 0 HD2 PHE A 62 12.353 -6.471 -4.166 1.00 0.00 H new ATOM 0 HE1 PHE A 62 15.560 -3.252 -2.169 1.00 0.00 H new ATOM 0 HE2 PHE A 62 12.824 -4.318 -5.307 1.00 0.00 H new ATOM 0 HZ PHE A 62 14.425 -2.710 -4.307 1.00 0.00 H new ATOM 1020 N GLY A 63 13.128 -7.396 1.145 1.00 0.00 N ATOM 1021 CA GLY A 63 12.775 -6.781 2.451 1.00 0.00 C ATOM 1022 C GLY A 63 13.409 -7.615 3.564 1.00 0.00 C ATOM 1023 O GLY A 63 12.851 -7.776 4.630 1.00 0.00 O ATOM 0 H GLY A 63 12.487 -8.119 0.819 1.00 0.00 H new ATOM 0 HA2 GLY A 63 13.135 -5.753 2.496 1.00 0.00 H new ATOM 0 HA3 GLY A 63 11.692 -6.746 2.573 1.00 0.00 H new ATOM 1027 N LYS A 64 14.572 -8.153 3.312 1.00 0.00 N ATOM 1028 CA LYS A 64 15.252 -8.987 4.340 1.00 0.00 C ATOM 1029 C LYS A 64 15.637 -8.112 5.537 1.00 0.00 C ATOM 1030 O LYS A 64 16.049 -8.602 6.570 1.00 0.00 O ATOM 1031 CB LYS A 64 16.506 -9.624 3.724 1.00 0.00 C ATOM 1032 CG LYS A 64 17.625 -8.584 3.621 1.00 0.00 C ATOM 1033 CD LYS A 64 18.785 -8.991 4.533 1.00 0.00 C ATOM 1034 CE LYS A 64 19.148 -7.823 5.450 1.00 0.00 C ATOM 1035 NZ LYS A 64 20.631 -7.693 5.526 1.00 0.00 N ATOM 0 H LYS A 64 15.081 -8.049 2.434 1.00 0.00 H new ATOM 0 HA LYS A 64 14.580 -9.775 4.681 1.00 0.00 H new ATOM 0 HB2 LYS A 64 16.835 -10.464 4.335 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.274 -10.020 2.735 1.00 0.00 H new ATOM 0 HG2 LYS A 64 17.969 -8.505 2.590 1.00 0.00 H new ATOM 0 HG3 LYS A 64 17.250 -7.601 3.908 1.00 0.00 H new ATOM 0 HD2 LYS A 64 18.506 -9.861 5.128 1.00 0.00 H new ATOM 0 HD3 LYS A 64 19.649 -9.279 3.934 1.00 0.00 H new ATOM 0 HE2 LYS A 64 18.710 -6.900 5.071 1.00 0.00 H new ATOM 0 HE3 LYS A 64 18.735 -7.986 6.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 20.878 -6.898 6.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 21.037 -8.571 5.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 21.013 -7.518 4.575 1.00 0.00 H new ATOM 1049 N ARG A 65 15.502 -6.819 5.408 1.00 0.00 N ATOM 1050 CA ARG A 65 15.854 -5.915 6.539 1.00 0.00 C ATOM 1051 C ARG A 65 14.740 -5.952 7.589 1.00 0.00 C ATOM 1052 O ARG A 65 14.836 -5.335 8.631 1.00 0.00 O ATOM 1053 CB ARG A 65 16.019 -4.487 6.016 1.00 0.00 C ATOM 1054 CG ARG A 65 17.086 -4.463 4.921 1.00 0.00 C ATOM 1055 CD ARG A 65 17.969 -3.224 5.093 1.00 0.00 C ATOM 1056 NE ARG A 65 17.108 -2.034 5.338 1.00 0.00 N ATOM 1057 CZ ARG A 65 17.415 -0.884 4.804 1.00 0.00 C ATOM 1058 NH1 ARG A 65 18.247 -0.084 5.412 1.00 0.00 N ATOM 1059 NH2 ARG A 65 16.889 -0.534 3.661 1.00 0.00 N ATOM 0 H ARG A 65 15.163 -6.351 4.568 1.00 0.00 H new ATOM 0 HA ARG A 65 16.789 -6.245 6.992 1.00 0.00 H new ATOM 0 HB2 ARG A 65 15.071 -4.121 5.622 1.00 0.00 H new ATOM 0 HB3 ARG A 65 16.304 -3.821 6.830 1.00 0.00 H new ATOM 0 HG2 ARG A 65 17.695 -5.366 4.972 1.00 0.00 H new ATOM 0 HG3 ARG A 65 16.614 -4.452 3.939 1.00 0.00 H new ATOM 0 HD2 ARG A 65 18.657 -3.367 5.926 1.00 0.00 H new ATOM 0 HD3 ARG A 65 18.576 -3.070 4.201 1.00 0.00 H new ATOM 0 HE ARG A 65 16.277 -2.118 5.924 1.00 0.00 H new ATOM 0 HH11 ARG A 65 18.657 -0.358 6.305 1.00 0.00 H new ATOM 0 HH12 ARG A 65 18.487 0.815 4.995 1.00 0.00 H new ATOM 0 HH21 ARG A 65 16.238 -1.160 3.186 1.00 0.00 H new ATOM 0 HH22 ARG A 65 17.129 0.365 3.243 1.00 0.00 H new ATOM 1073 N MET A 66 13.685 -6.674 7.322 1.00 0.00 N ATOM 1074 CA MET A 66 12.564 -6.757 8.302 1.00 0.00 C ATOM 1075 C MET A 66 11.727 -5.478 8.243 1.00 0.00 C ATOM 1076 O MET A 66 12.086 -4.515 7.595 1.00 0.00 O ATOM 1077 CB MET A 66 13.130 -6.928 9.713 1.00 0.00 C ATOM 1078 CG MET A 66 14.316 -7.893 9.673 1.00 0.00 C ATOM 1079 SD MET A 66 13.985 -9.300 10.763 1.00 0.00 S ATOM 1080 CE MET A 66 12.842 -10.173 9.665 1.00 0.00 C ATOM 0 H MET A 66 13.551 -7.211 6.465 1.00 0.00 H new ATOM 0 HA MET A 66 11.935 -7.612 8.054 1.00 0.00 H new ATOM 0 HB2 MET A 66 13.446 -5.963 10.109 1.00 0.00 H new ATOM 0 HB3 MET A 66 12.359 -7.310 10.382 1.00 0.00 H new ATOM 0 HG2 MET A 66 14.482 -8.240 8.653 1.00 0.00 H new ATOM 0 HG3 MET A 66 15.226 -7.382 9.988 1.00 0.00 H new ATOM 0 HE1 MET A 66 12.518 -11.100 10.139 1.00 0.00 H new ATOM 0 HE2 MET A 66 11.974 -9.544 9.469 1.00 0.00 H new ATOM 0 HE3 MET A 66 13.344 -10.402 8.725 1.00 0.00 H new ATOM 1090 N PHE A 67 10.613 -5.465 8.920 1.00 0.00 N ATOM 1091 CA PHE A 67 9.741 -4.256 8.917 1.00 0.00 C ATOM 1092 C PHE A 67 9.415 -3.855 7.474 1.00 0.00 C ATOM 1093 O PHE A 67 9.053 -2.728 7.204 1.00 0.00 O ATOM 1094 CB PHE A 67 10.456 -3.094 9.618 1.00 0.00 C ATOM 1095 CG PHE A 67 11.430 -3.633 10.640 1.00 0.00 C ATOM 1096 CD1 PHE A 67 11.040 -4.666 11.504 1.00 0.00 C ATOM 1097 CD2 PHE A 67 12.724 -3.100 10.726 1.00 0.00 C ATOM 1098 CE1 PHE A 67 11.944 -5.165 12.452 1.00 0.00 C ATOM 1099 CE2 PHE A 67 13.627 -3.599 11.673 1.00 0.00 C ATOM 1100 CZ PHE A 67 13.238 -4.632 12.536 1.00 0.00 C ATOM 0 H PHE A 67 10.266 -6.245 9.479 1.00 0.00 H new ATOM 0 HA PHE A 67 8.817 -4.485 9.448 1.00 0.00 H new ATOM 0 HB2 PHE A 67 10.984 -2.485 8.885 1.00 0.00 H new ATOM 0 HB3 PHE A 67 9.726 -2.446 10.104 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.043 -5.077 11.439 1.00 0.00 H new ATOM 0 HD2 PHE A 67 13.025 -2.304 10.061 1.00 0.00 H new ATOM 0 HE1 PHE A 67 11.644 -5.960 13.118 1.00 0.00 H new ATOM 0 HE2 PHE A 67 14.623 -3.188 11.738 1.00 0.00 H new ATOM 0 HZ PHE A 67 13.935 -5.018 13.266 1.00 0.00 H new ATOM 1110 N VAL A 68 9.545 -4.762 6.545 1.00 0.00 N ATOM 1111 CA VAL A 68 9.245 -4.421 5.125 1.00 0.00 C ATOM 1112 C VAL A 68 8.523 -5.590 4.450 1.00 0.00 C ATOM 1113 O VAL A 68 8.909 -6.733 4.588 1.00 0.00 O ATOM 1114 CB VAL A 68 10.554 -4.144 4.390 1.00 0.00 C ATOM 1115 CG1 VAL A 68 11.523 -5.306 4.617 1.00 0.00 C ATOM 1116 CG2 VAL A 68 10.279 -3.999 2.890 1.00 0.00 C ATOM 0 H VAL A 68 9.846 -5.723 6.707 1.00 0.00 H new ATOM 0 HA VAL A 68 8.606 -3.538 5.092 1.00 0.00 H new ATOM 0 HB VAL A 68 10.994 -3.222 4.771 1.00 0.00 H new ATOM 0 HG11 VAL A 68 12.458 -5.108 4.092 1.00 0.00 H new ATOM 0 HG12 VAL A 68 11.721 -5.411 5.684 1.00 0.00 H new ATOM 0 HG13 VAL A 68 11.082 -6.227 4.237 1.00 0.00 H new ATOM 0 HG21 VAL A 68 11.214 -3.801 2.366 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.838 -4.921 2.510 1.00 0.00 H new ATOM 0 HG23 VAL A 68 9.589 -3.172 2.725 1.00 0.00 H new ATOM 1126 N PHE A 69 7.480 -5.311 3.715 1.00 0.00 N ATOM 1127 CA PHE A 69 6.740 -6.411 3.027 1.00 0.00 C ATOM 1128 C PHE A 69 6.823 -6.218 1.510 1.00 0.00 C ATOM 1129 O PHE A 69 7.427 -5.282 1.025 1.00 0.00 O ATOM 1130 CB PHE A 69 5.272 -6.406 3.465 1.00 0.00 C ATOM 1131 CG PHE A 69 4.599 -5.132 3.010 1.00 0.00 C ATOM 1132 CD1 PHE A 69 4.341 -4.912 1.648 1.00 0.00 C ATOM 1133 CD2 PHE A 69 4.226 -4.168 3.954 1.00 0.00 C ATOM 1134 CE1 PHE A 69 3.713 -3.730 1.234 1.00 0.00 C ATOM 1135 CE2 PHE A 69 3.598 -2.988 3.540 1.00 0.00 C ATOM 1136 CZ PHE A 69 3.341 -2.768 2.179 1.00 0.00 C ATOM 0 H PHE A 69 7.109 -4.374 3.561 1.00 0.00 H new ATOM 0 HA PHE A 69 7.191 -7.366 3.296 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.756 -7.269 3.045 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.208 -6.493 4.550 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.627 -5.655 0.918 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.423 -4.335 5.003 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.516 -3.562 0.186 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.311 -2.245 4.270 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.856 -1.857 1.861 1.00 0.00 H new ATOM 1146 N LYS A 70 6.219 -7.099 0.760 1.00 0.00 N ATOM 1147 CA LYS A 70 6.260 -6.972 -0.724 1.00 0.00 C ATOM 1148 C LYS A 70 4.854 -7.181 -1.296 1.00 0.00 C ATOM 1149 O LYS A 70 4.321 -8.271 -1.269 1.00 0.00 O ATOM 1150 CB LYS A 70 7.207 -8.035 -1.293 1.00 0.00 C ATOM 1151 CG LYS A 70 6.998 -8.164 -2.805 1.00 0.00 C ATOM 1152 CD LYS A 70 7.734 -9.404 -3.315 1.00 0.00 C ATOM 1153 CE LYS A 70 6.718 -10.486 -3.683 1.00 0.00 C ATOM 1154 NZ LYS A 70 7.080 -11.078 -5.001 1.00 0.00 N ATOM 0 H LYS A 70 5.698 -7.902 1.112 1.00 0.00 H new ATOM 0 HA LYS A 70 6.616 -5.978 -0.997 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.241 -7.763 -1.082 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.024 -8.994 -0.809 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.934 -8.240 -3.031 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.369 -7.273 -3.312 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.340 -9.148 -4.184 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.416 -9.776 -2.550 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.702 -11.261 -2.916 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.716 -10.059 -3.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.257 -11.577 -5.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.371 -10.322 -5.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.865 -11.749 -4.876 1.00 0.00 H new ATOM 1168 N ILE A 71 4.255 -6.150 -1.825 1.00 0.00 N ATOM 1169 CA ILE A 71 2.892 -6.303 -2.405 1.00 0.00 C ATOM 1170 C ILE A 71 3.017 -6.692 -3.879 1.00 0.00 C ATOM 1171 O ILE A 71 4.064 -6.574 -4.479 1.00 0.00 O ATOM 1172 CB ILE A 71 2.126 -4.977 -2.273 1.00 0.00 C ATOM 1173 CG1 ILE A 71 1.509 -4.892 -0.876 1.00 0.00 C ATOM 1174 CG2 ILE A 71 1.008 -4.895 -3.322 1.00 0.00 C ATOM 1175 CD1 ILE A 71 0.827 -3.535 -0.698 1.00 0.00 C ATOM 0 H ILE A 71 4.649 -5.211 -1.881 1.00 0.00 H new ATOM 0 HA ILE A 71 2.347 -7.081 -1.871 1.00 0.00 H new ATOM 0 HB ILE A 71 2.820 -4.151 -2.431 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.785 -5.695 -0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 71 2.281 -5.025 -0.118 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.476 -3.950 -3.214 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.441 -4.956 -4.321 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.312 -5.721 -3.177 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.388 -3.476 0.298 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.563 -2.740 -0.818 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.044 -3.420 -1.447 1.00 0.00 H new ATOM 1187 N THR A 72 1.949 -7.152 -4.461 1.00 0.00 N ATOM 1188 CA THR A 72 1.984 -7.548 -5.891 1.00 0.00 C ATOM 1189 C THR A 72 0.634 -7.200 -6.510 1.00 0.00 C ATOM 1190 O THR A 72 -0.289 -7.991 -6.500 1.00 0.00 O ATOM 1191 CB THR A 72 2.238 -9.053 -6.005 1.00 0.00 C ATOM 1192 OG1 THR A 72 3.606 -9.321 -5.730 1.00 0.00 O ATOM 1193 CG2 THR A 72 1.899 -9.527 -7.420 1.00 0.00 C ATOM 0 H THR A 72 1.046 -7.271 -4.003 1.00 0.00 H new ATOM 0 HA THR A 72 2.784 -7.022 -6.412 1.00 0.00 H new ATOM 0 HB THR A 72 1.610 -9.582 -5.288 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.169 -8.833 -6.367 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.081 -10.599 -7.498 1.00 0.00 H new ATOM 0 HG22 THR A 72 0.850 -9.321 -7.631 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.525 -9.000 -8.140 1.00 0.00 H new ATOM 1201 N THR A 73 0.507 -6.016 -7.035 1.00 0.00 N ATOM 1202 CA THR A 73 -0.790 -5.612 -7.640 1.00 0.00 C ATOM 1203 C THR A 73 -1.244 -6.690 -8.619 1.00 0.00 C ATOM 1204 O THR A 73 -0.464 -7.510 -9.062 1.00 0.00 O ATOM 1205 CB THR A 73 -0.626 -4.281 -8.377 1.00 0.00 C ATOM 1206 OG1 THR A 73 -0.068 -4.516 -9.662 1.00 0.00 O ATOM 1207 CG2 THR A 73 0.296 -3.357 -7.579 1.00 0.00 C ATOM 0 H THR A 73 1.244 -5.311 -7.072 1.00 0.00 H new ATOM 0 HA THR A 73 -1.537 -5.493 -6.855 1.00 0.00 H new ATOM 0 HB THR A 73 -1.602 -3.807 -8.485 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.035 -3.664 -10.135 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.409 -2.411 -8.108 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.136 -3.173 -6.595 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.272 -3.828 -7.464 1.00 0.00 H new ATOM 1215 N THR A 74 -2.501 -6.701 -8.953 1.00 0.00 N ATOM 1216 CA THR A 74 -3.016 -7.731 -9.900 1.00 0.00 C ATOM 1217 C THR A 74 -2.197 -7.703 -11.193 1.00 0.00 C ATOM 1218 O THR A 74 -2.221 -8.636 -11.972 1.00 0.00 O ATOM 1219 CB THR A 74 -4.486 -7.443 -10.213 1.00 0.00 C ATOM 1220 OG1 THR A 74 -4.813 -7.986 -11.485 1.00 0.00 O ATOM 1221 CG2 THR A 74 -4.725 -5.933 -10.223 1.00 0.00 C ATOM 0 H THR A 74 -3.199 -6.040 -8.611 1.00 0.00 H new ATOM 0 HA THR A 74 -2.928 -8.717 -9.445 1.00 0.00 H new ATOM 0 HB THR A 74 -5.115 -7.900 -9.449 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.755 -7.804 -11.686 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.773 -5.732 -10.446 1.00 0.00 H new ATOM 0 HG22 THR A 74 -4.476 -5.519 -9.246 1.00 0.00 H new ATOM 0 HG23 THR A 74 -4.097 -5.470 -10.984 1.00 0.00 H new ATOM 1229 N LYS A 75 -1.468 -6.645 -11.432 1.00 0.00 N ATOM 1230 CA LYS A 75 -0.650 -6.569 -12.676 1.00 0.00 C ATOM 1231 C LYS A 75 0.729 -7.187 -12.423 1.00 0.00 C ATOM 1232 O LYS A 75 1.692 -6.875 -13.094 1.00 0.00 O ATOM 1233 CB LYS A 75 -0.479 -5.105 -13.088 1.00 0.00 C ATOM 1234 CG LYS A 75 -1.773 -4.600 -13.728 1.00 0.00 C ATOM 1235 CD LYS A 75 -1.459 -3.978 -15.090 1.00 0.00 C ATOM 1236 CE LYS A 75 -2.766 -3.658 -15.817 1.00 0.00 C ATOM 1237 NZ LYS A 75 -3.586 -4.897 -15.928 1.00 0.00 N ATOM 0 H LYS A 75 -1.404 -5.832 -10.820 1.00 0.00 H new ATOM 0 HA LYS A 75 -1.155 -7.116 -13.472 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.230 -4.498 -12.217 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.349 -5.008 -13.791 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.478 -5.423 -13.846 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.248 -3.863 -13.080 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.871 -3.070 -14.960 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.858 -4.665 -15.686 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.318 -2.890 -15.275 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.555 -3.258 -16.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.091 -4.899 -16.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.965 -5.730 -15.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.275 -4.928 -15.149 1.00 0.00 H new ATOM 1251 N GLN A 76 0.831 -8.062 -11.459 1.00 0.00 N ATOM 1252 CA GLN A 76 2.147 -8.695 -11.166 1.00 0.00 C ATOM 1253 C GLN A 76 3.186 -7.606 -10.887 1.00 0.00 C ATOM 1254 O GLN A 76 4.359 -7.773 -11.155 1.00 0.00 O ATOM 1255 CB GLN A 76 2.591 -9.527 -12.370 1.00 0.00 C ATOM 1256 CG GLN A 76 2.304 -11.007 -12.105 1.00 0.00 C ATOM 1257 CD GLN A 76 3.524 -11.843 -12.493 1.00 0.00 C ATOM 1258 OE1 GLN A 76 4.598 -11.656 -11.956 1.00 0.00 O ATOM 1259 NE2 GLN A 76 3.405 -12.764 -13.409 1.00 0.00 N ATOM 0 H GLN A 76 0.061 -8.365 -10.863 1.00 0.00 H new ATOM 0 HA GLN A 76 2.054 -9.340 -10.293 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.064 -9.199 -13.266 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.655 -9.380 -12.554 1.00 0.00 H new ATOM 0 HG2 GLN A 76 2.066 -11.159 -11.052 1.00 0.00 H new ATOM 0 HG3 GLN A 76 1.434 -11.327 -12.678 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.504 -12.921 -13.860 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.213 -13.327 -13.674 1.00 0.00 H new ATOM 1268 N GLN A 77 2.765 -6.493 -10.349 1.00 0.00 N ATOM 1269 CA GLN A 77 3.733 -5.399 -10.053 1.00 0.00 C ATOM 1270 C GLN A 77 4.170 -5.493 -8.590 1.00 0.00 C ATOM 1271 O GLN A 77 3.461 -5.081 -7.693 1.00 0.00 O ATOM 1272 CB GLN A 77 3.064 -4.044 -10.301 1.00 0.00 C ATOM 1273 CG GLN A 77 3.919 -3.224 -11.269 1.00 0.00 C ATOM 1274 CD GLN A 77 5.329 -3.063 -10.698 1.00 0.00 C ATOM 1275 OE1 GLN A 77 5.583 -3.426 -9.566 1.00 0.00 O ATOM 1276 NE2 GLN A 77 6.262 -2.530 -11.437 1.00 0.00 N ATOM 0 H GLN A 77 1.795 -6.295 -10.102 1.00 0.00 H new ATOM 0 HA GLN A 77 4.604 -5.496 -10.701 1.00 0.00 H new ATOM 0 HB2 GLN A 77 2.066 -4.189 -10.714 1.00 0.00 H new ATOM 0 HB3 GLN A 77 2.945 -3.507 -9.360 1.00 0.00 H new ATOM 0 HG2 GLN A 77 3.963 -3.718 -12.239 1.00 0.00 H new ATOM 0 HG3 GLN A 77 3.467 -2.245 -11.430 1.00 0.00 H new ATOM 0 HE21 GLN A 77 6.049 -2.226 -12.387 1.00 0.00 H new ATOM 0 HE22 GLN A 77 7.205 -2.418 -11.065 1.00 0.00 H new ATOM 1285 N ASP A 78 5.328 -6.037 -8.342 1.00 0.00 N ATOM 1286 CA ASP A 78 5.805 -6.164 -6.936 1.00 0.00 C ATOM 1287 C ASP A 78 6.145 -4.781 -6.375 1.00 0.00 C ATOM 1288 O ASP A 78 6.495 -3.872 -7.101 1.00 0.00 O ATOM 1289 CB ASP A 78 7.050 -7.050 -6.896 1.00 0.00 C ATOM 1290 CG ASP A 78 6.663 -8.492 -7.231 1.00 0.00 C ATOM 1291 OD1 ASP A 78 5.499 -8.721 -7.516 1.00 0.00 O ATOM 1292 OD2 ASP A 78 7.537 -9.342 -7.198 1.00 0.00 O ATOM 0 H ASP A 78 5.965 -6.399 -9.051 1.00 0.00 H new ATOM 0 HA ASP A 78 5.018 -6.614 -6.331 1.00 0.00 H new ATOM 0 HB2 ASP A 78 7.791 -6.686 -7.608 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.509 -7.006 -5.908 1.00 0.00 H new ATOM 1297 N HIS A 79 6.047 -4.621 -5.084 1.00 0.00 N ATOM 1298 CA HIS A 79 6.366 -3.305 -4.462 1.00 0.00 C ATOM 1299 C HIS A 79 6.894 -3.535 -3.045 1.00 0.00 C ATOM 1300 O HIS A 79 6.142 -3.777 -2.124 1.00 0.00 O ATOM 1301 CB HIS A 79 5.099 -2.449 -4.404 1.00 0.00 C ATOM 1302 CG HIS A 79 4.646 -2.129 -5.801 1.00 0.00 C ATOM 1303 ND1 HIS A 79 5.348 -1.265 -6.628 1.00 0.00 N ATOM 1304 CD2 HIS A 79 3.565 -2.551 -6.533 1.00 0.00 C ATOM 1305 CE1 HIS A 79 4.687 -1.195 -7.797 1.00 0.00 C ATOM 1306 NE2 HIS A 79 3.593 -1.961 -7.793 1.00 0.00 N ATOM 0 H HIS A 79 5.758 -5.349 -4.430 1.00 0.00 H new ATOM 0 HA HIS A 79 7.122 -2.791 -5.055 1.00 0.00 H new ATOM 0 HB2 HIS A 79 4.313 -2.980 -3.868 1.00 0.00 H new ATOM 0 HB3 HIS A 79 5.294 -1.529 -3.854 1.00 0.00 H new ATOM 0 HD1 HIS A 79 6.209 -0.772 -6.392 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.807 -3.237 -6.184 1.00 0.00 H new ATOM 0 HE1 HIS A 79 5.002 -0.593 -8.636 1.00 0.00 H new ATOM 1314 N PHE A 80 8.184 -3.465 -2.865 1.00 0.00 N ATOM 1315 CA PHE A 80 8.760 -3.686 -1.508 1.00 0.00 C ATOM 1316 C PHE A 80 8.866 -2.351 -0.771 1.00 0.00 C ATOM 1317 O PHE A 80 9.474 -1.415 -1.252 1.00 0.00 O ATOM 1318 CB PHE A 80 10.157 -4.300 -1.640 1.00 0.00 C ATOM 1319 CG PHE A 80 10.134 -5.399 -2.676 1.00 0.00 C ATOM 1320 CD1 PHE A 80 10.211 -5.081 -4.038 1.00 0.00 C ATOM 1321 CD2 PHE A 80 10.041 -6.736 -2.273 1.00 0.00 C ATOM 1322 CE1 PHE A 80 10.192 -6.101 -4.997 1.00 0.00 C ATOM 1323 CE2 PHE A 80 10.022 -7.757 -3.233 1.00 0.00 C ATOM 1324 CZ PHE A 80 10.098 -7.440 -4.595 1.00 0.00 C ATOM 0 H PHE A 80 8.864 -3.264 -3.598 1.00 0.00 H new ATOM 0 HA PHE A 80 8.113 -4.361 -0.948 1.00 0.00 H new ATOM 0 HB2 PHE A 80 10.877 -3.533 -1.926 1.00 0.00 H new ATOM 0 HB3 PHE A 80 10.482 -4.699 -0.679 1.00 0.00 H new ATOM 0 HD1 PHE A 80 10.285 -4.049 -4.348 1.00 0.00 H new ATOM 0 HD2 PHE A 80 9.984 -6.981 -1.223 1.00 0.00 H new ATOM 0 HE1 PHE A 80 10.250 -5.856 -6.047 1.00 0.00 H new ATOM 0 HE2 PHE A 80 9.949 -8.789 -2.922 1.00 0.00 H new ATOM 0 HZ PHE A 80 10.084 -8.227 -5.335 1.00 0.00 H new ATOM 1334 N PHE A 81 8.292 -2.254 0.398 1.00 0.00 N ATOM 1335 CA PHE A 81 8.380 -0.976 1.155 1.00 0.00 C ATOM 1336 C PHE A 81 8.621 -1.278 2.637 1.00 0.00 C ATOM 1337 O PHE A 81 8.061 -2.200 3.197 1.00 0.00 O ATOM 1338 CB PHE A 81 7.086 -0.151 0.932 1.00 0.00 C ATOM 1339 CG PHE A 81 6.267 0.022 2.204 1.00 0.00 C ATOM 1340 CD1 PHE A 81 6.821 0.647 3.334 1.00 0.00 C ATOM 1341 CD2 PHE A 81 4.941 -0.431 2.242 1.00 0.00 C ATOM 1342 CE1 PHE A 81 6.048 0.812 4.493 1.00 0.00 C ATOM 1343 CE2 PHE A 81 4.173 -0.263 3.400 1.00 0.00 C ATOM 1344 CZ PHE A 81 4.727 0.358 4.526 1.00 0.00 C ATOM 0 H PHE A 81 7.770 -3.000 0.858 1.00 0.00 H new ATOM 0 HA PHE A 81 9.218 -0.379 0.796 1.00 0.00 H new ATOM 0 HB2 PHE A 81 7.350 0.831 0.540 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.474 -0.642 0.176 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.841 1.000 3.310 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.511 -0.911 1.375 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.475 1.291 5.362 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.152 -0.613 3.425 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.134 0.486 5.419 1.00 0.00 H new ATOM 1354 N GLN A 82 9.450 -0.496 3.273 1.00 0.00 N ATOM 1355 CA GLN A 82 9.732 -0.716 4.717 1.00 0.00 C ATOM 1356 C GLN A 82 9.176 0.460 5.521 1.00 0.00 C ATOM 1357 O GLN A 82 9.319 1.607 5.142 1.00 0.00 O ATOM 1358 CB GLN A 82 11.245 -0.809 4.934 1.00 0.00 C ATOM 1359 CG GLN A 82 11.530 -1.200 6.386 1.00 0.00 C ATOM 1360 CD GLN A 82 12.696 -0.366 6.921 1.00 0.00 C ATOM 1361 OE1 GLN A 82 13.396 0.277 6.164 1.00 0.00 O ATOM 1362 NE2 GLN A 82 12.936 -0.348 8.204 1.00 0.00 N ATOM 0 H GLN A 82 9.946 0.289 2.851 1.00 0.00 H new ATOM 0 HA GLN A 82 9.261 -1.643 5.045 1.00 0.00 H new ATOM 0 HB2 GLN A 82 11.675 -1.546 4.257 1.00 0.00 H new ATOM 0 HB3 GLN A 82 11.715 0.147 4.705 1.00 0.00 H new ATOM 0 HG2 GLN A 82 10.643 -1.038 6.998 1.00 0.00 H new ATOM 0 HG3 GLN A 82 11.770 -2.261 6.447 1.00 0.00 H new ATOM 0 HE21 GLN A 82 12.349 -0.887 8.840 1.00 0.00 H new ATOM 0 HE22 GLN A 82 13.711 0.205 8.570 1.00 0.00 H new ATOM 1371 N ALA A 83 8.542 0.183 6.628 1.00 0.00 N ATOM 1372 CA ALA A 83 7.974 1.281 7.459 1.00 0.00 C ATOM 1373 C ALA A 83 9.030 1.763 8.457 1.00 0.00 C ATOM 1374 O ALA A 83 9.829 2.628 8.156 1.00 0.00 O ATOM 1375 CB ALA A 83 6.755 0.761 8.220 1.00 0.00 C ATOM 0 H ALA A 83 8.393 -0.758 6.993 1.00 0.00 H new ATOM 0 HA ALA A 83 7.677 2.109 6.816 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.337 1.563 8.829 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.003 0.415 7.510 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.054 -0.066 8.864 1.00 0.00 H new ATOM 1381 N ALA A 84 9.044 1.214 9.642 1.00 0.00 N ATOM 1382 CA ALA A 84 10.056 1.651 10.647 1.00 0.00 C ATOM 1383 C ALA A 84 10.485 0.465 11.502 1.00 0.00 C ATOM 1384 O ALA A 84 11.642 0.308 11.835 1.00 0.00 O ATOM 1385 CB ALA A 84 9.454 2.732 11.547 1.00 0.00 C ATOM 0 H ALA A 84 8.402 0.486 9.956 1.00 0.00 H new ATOM 0 HA ALA A 84 10.924 2.052 10.124 1.00 0.00 H new ATOM 0 HB1 ALA A 84 10.195 3.049 12.280 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.155 3.586 10.940 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.582 2.331 12.063 1.00 0.00 H new ATOM 1391 N PHE A 85 9.559 -0.368 11.858 1.00 0.00 N ATOM 1392 CA PHE A 85 9.902 -1.551 12.700 1.00 0.00 C ATOM 1393 C PHE A 85 8.816 -2.616 12.560 1.00 0.00 C ATOM 1394 O PHE A 85 7.809 -2.416 11.910 1.00 0.00 O ATOM 1395 CB PHE A 85 10.016 -1.147 14.181 1.00 0.00 C ATOM 1396 CG PHE A 85 9.912 0.353 14.334 1.00 0.00 C ATOM 1397 CD1 PHE A 85 11.053 1.152 14.191 1.00 0.00 C ATOM 1398 CD2 PHE A 85 8.674 0.945 14.621 1.00 0.00 C ATOM 1399 CE1 PHE A 85 10.959 2.542 14.334 1.00 0.00 C ATOM 1400 CE2 PHE A 85 8.579 2.335 14.766 1.00 0.00 C ATOM 1401 CZ PHE A 85 9.721 3.134 14.622 1.00 0.00 C ATOM 0 H PHE A 85 8.574 -0.286 11.605 1.00 0.00 H new ATOM 0 HA PHE A 85 10.860 -1.947 12.362 1.00 0.00 H new ATOM 0 HB2 PHE A 85 9.228 -1.632 14.757 1.00 0.00 H new ATOM 0 HB3 PHE A 85 10.967 -1.494 14.586 1.00 0.00 H new ATOM 0 HD1 PHE A 85 12.007 0.696 13.970 1.00 0.00 H new ATOM 0 HD2 PHE A 85 7.793 0.329 14.730 1.00 0.00 H new ATOM 0 HE1 PHE A 85 11.839 3.157 14.223 1.00 0.00 H new ATOM 0 HE2 PHE A 85 7.626 2.791 14.989 1.00 0.00 H new ATOM 0 HZ PHE A 85 9.648 4.206 14.733 1.00 0.00 H new ATOM 1411 N LEU A 86 9.018 -3.746 13.173 1.00 0.00 N ATOM 1412 CA LEU A 86 8.009 -4.838 13.091 1.00 0.00 C ATOM 1413 C LEU A 86 6.629 -4.290 13.465 1.00 0.00 C ATOM 1414 O LEU A 86 5.658 -4.506 12.773 1.00 0.00 O ATOM 1415 CB LEU A 86 8.404 -5.961 14.064 1.00 0.00 C ATOM 1416 CG LEU A 86 7.171 -6.788 14.450 1.00 0.00 C ATOM 1417 CD1 LEU A 86 7.608 -8.176 14.909 1.00 0.00 C ATOM 1418 CD2 LEU A 86 6.425 -6.092 15.592 1.00 0.00 C ATOM 0 H LEU A 86 9.844 -3.963 13.731 1.00 0.00 H new ATOM 0 HA LEU A 86 7.973 -5.231 12.075 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.153 -6.605 13.602 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.859 -5.534 14.958 1.00 0.00 H new ATOM 0 HG LEU A 86 6.515 -6.879 13.585 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.730 -8.762 15.183 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.140 -8.676 14.100 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.266 -8.083 15.773 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.549 -6.680 15.866 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.085 -6.000 16.455 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.110 -5.100 15.269 1.00 0.00 H new ATOM 1430 N GLU A 87 6.530 -3.606 14.568 1.00 0.00 N ATOM 1431 CA GLU A 87 5.208 -3.072 14.993 1.00 0.00 C ATOM 1432 C GLU A 87 4.541 -2.331 13.830 1.00 0.00 C ATOM 1433 O GLU A 87 3.529 -2.757 13.308 1.00 0.00 O ATOM 1434 CB GLU A 87 5.402 -2.107 16.164 1.00 0.00 C ATOM 1435 CG GLU A 87 4.455 -2.487 17.304 1.00 0.00 C ATOM 1436 CD GLU A 87 4.713 -1.576 18.504 1.00 0.00 C ATOM 1437 OE1 GLU A 87 5.870 -1.365 18.825 1.00 0.00 O ATOM 1438 OE2 GLU A 87 3.747 -1.105 19.083 1.00 0.00 O ATOM 0 H GLU A 87 7.307 -3.393 15.194 1.00 0.00 H new ATOM 0 HA GLU A 87 4.571 -3.902 15.300 1.00 0.00 H new ATOM 0 HB2 GLU A 87 6.435 -2.141 16.509 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.207 -1.084 15.842 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.419 -2.392 16.978 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.607 -3.529 17.585 1.00 0.00 H new ATOM 1445 N GLU A 88 5.095 -1.220 13.426 1.00 0.00 N ATOM 1446 CA GLU A 88 4.488 -0.447 12.304 1.00 0.00 C ATOM 1447 C GLU A 88 4.465 -1.308 11.041 1.00 0.00 C ATOM 1448 O GLU A 88 3.800 -0.990 10.075 1.00 0.00 O ATOM 1449 CB GLU A 88 5.318 0.814 12.048 1.00 0.00 C ATOM 1450 CG GLU A 88 4.502 1.801 11.211 1.00 0.00 C ATOM 1451 CD GLU A 88 4.799 3.230 11.672 1.00 0.00 C ATOM 1452 OE1 GLU A 88 5.434 3.378 12.702 1.00 0.00 O ATOM 1453 OE2 GLU A 88 4.385 4.150 10.985 1.00 0.00 O ATOM 0 H GLU A 88 5.942 -0.814 13.824 1.00 0.00 H new ATOM 0 HA GLU A 88 3.468 -0.165 12.567 1.00 0.00 H new ATOM 0 HB2 GLU A 88 5.603 1.273 12.995 1.00 0.00 H new ATOM 0 HB3 GLU A 88 6.241 0.556 11.528 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.749 1.690 10.155 1.00 0.00 H new ATOM 0 HG3 GLU A 88 3.438 1.588 11.314 1.00 0.00 H new ATOM 1460 N ARG A 89 5.185 -2.396 11.039 1.00 0.00 N ATOM 1461 CA ARG A 89 5.201 -3.272 9.836 1.00 0.00 C ATOM 1462 C ARG A 89 3.871 -4.016 9.723 1.00 0.00 C ATOM 1463 O ARG A 89 3.140 -3.853 8.768 1.00 0.00 O ATOM 1464 CB ARG A 89 6.340 -4.287 9.958 1.00 0.00 C ATOM 1465 CG ARG A 89 6.444 -5.095 8.662 1.00 0.00 C ATOM 1466 CD ARG A 89 5.673 -6.407 8.815 1.00 0.00 C ATOM 1467 NE ARG A 89 6.540 -7.547 8.402 1.00 0.00 N ATOM 1468 CZ ARG A 89 7.083 -8.315 9.307 1.00 0.00 C ATOM 1469 NH1 ARG A 89 6.404 -9.309 9.811 1.00 0.00 N ATOM 1470 NH2 ARG A 89 8.305 -8.091 9.705 1.00 0.00 N ATOM 0 H ARG A 89 5.762 -2.715 11.817 1.00 0.00 H new ATOM 0 HA ARG A 89 5.350 -2.659 8.947 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.281 -3.772 10.155 1.00 0.00 H new ATOM 0 HB3 ARG A 89 6.159 -4.954 10.801 1.00 0.00 H new ATOM 0 HG2 ARG A 89 6.041 -4.519 7.829 1.00 0.00 H new ATOM 0 HG3 ARG A 89 7.489 -5.300 8.432 1.00 0.00 H new ATOM 0 HD2 ARG A 89 5.355 -6.535 9.850 1.00 0.00 H new ATOM 0 HD3 ARG A 89 4.770 -6.384 8.204 1.00 0.00 H new ATOM 0 HE ARG A 89 6.709 -7.727 7.412 1.00 0.00 H new ATOM 0 HH11 ARG A 89 5.449 -9.485 9.498 1.00 0.00 H new ATOM 0 HH12 ARG A 89 6.828 -9.909 10.518 1.00 0.00 H new ATOM 0 HH21 ARG A 89 8.836 -7.316 9.309 1.00 0.00 H new ATOM 0 HH22 ARG A 89 8.729 -8.691 10.412 1.00 0.00 H new ATOM 1484 N ASP A 90 3.550 -4.834 10.689 1.00 0.00 N ATOM 1485 CA ASP A 90 2.268 -5.588 10.629 1.00 0.00 C ATOM 1486 C ASP A 90 1.095 -4.609 10.683 1.00 0.00 C ATOM 1487 O ASP A 90 -0.030 -4.957 10.381 1.00 0.00 O ATOM 1488 CB ASP A 90 2.185 -6.554 11.814 1.00 0.00 C ATOM 1489 CG ASP A 90 1.274 -7.730 11.452 1.00 0.00 C ATOM 1490 OD1 ASP A 90 1.606 -8.445 10.521 1.00 0.00 O ATOM 1491 OD2 ASP A 90 0.261 -7.894 12.112 1.00 0.00 O ATOM 0 H ASP A 90 4.120 -5.012 11.516 1.00 0.00 H new ATOM 0 HA ASP A 90 2.224 -6.153 9.698 1.00 0.00 H new ATOM 0 HB2 ASP A 90 3.180 -6.917 12.071 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.798 -6.037 12.692 1.00 0.00 H new ATOM 1496 N ALA A 91 1.345 -3.386 11.062 1.00 0.00 N ATOM 1497 CA ALA A 91 0.241 -2.388 11.125 1.00 0.00 C ATOM 1498 C ALA A 91 -0.043 -1.871 9.713 1.00 0.00 C ATOM 1499 O ALA A 91 -1.178 -1.798 9.282 1.00 0.00 O ATOM 1500 CB ALA A 91 0.656 -1.222 12.024 1.00 0.00 C ATOM 0 H ALA A 91 2.264 -3.035 11.330 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.655 -2.854 11.534 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.152 -0.492 12.070 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.867 -1.593 13.027 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.550 -0.749 11.617 1.00 0.00 H new ATOM 1506 N TRP A 92 0.983 -1.521 8.989 1.00 0.00 N ATOM 1507 CA TRP A 92 0.791 -1.014 7.605 1.00 0.00 C ATOM 1508 C TRP A 92 0.363 -2.174 6.697 1.00 0.00 C ATOM 1509 O TRP A 92 -0.310 -1.983 5.703 1.00 0.00 O ATOM 1510 CB TRP A 92 2.116 -0.442 7.103 1.00 0.00 C ATOM 1511 CG TRP A 92 2.048 1.051 7.084 1.00 0.00 C ATOM 1512 CD1 TRP A 92 2.409 1.858 8.108 1.00 0.00 C ATOM 1513 CD2 TRP A 92 1.603 1.928 6.009 1.00 0.00 C ATOM 1514 NE1 TRP A 92 2.214 3.174 7.731 1.00 0.00 N ATOM 1515 CE2 TRP A 92 1.718 3.269 6.447 1.00 0.00 C ATOM 1516 CE3 TRP A 92 1.114 1.692 4.711 1.00 0.00 C ATOM 1517 CZ2 TRP A 92 1.362 4.338 5.624 1.00 0.00 C ATOM 1518 CZ3 TRP A 92 0.755 2.765 3.878 1.00 0.00 C ATOM 1519 CH2 TRP A 92 0.877 4.086 4.335 1.00 0.00 C ATOM 0 H TRP A 92 1.953 -1.565 9.301 1.00 0.00 H new ATOM 0 HA TRP A 92 0.023 -0.240 7.594 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.932 -0.770 7.747 1.00 0.00 H new ATOM 0 HB3 TRP A 92 2.329 -0.818 6.102 1.00 0.00 H new ATOM 0 HD1 TRP A 92 2.788 1.528 9.064 1.00 0.00 H new ATOM 0 HE1 TRP A 92 2.413 3.976 8.329 1.00 0.00 H new ATOM 0 HE3 TRP A 92 1.014 0.678 4.352 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 1.460 5.353 5.979 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 0.384 2.572 2.882 1.00 0.00 H new ATOM 0 HH2 TRP A 92 0.597 4.908 3.693 1.00 0.00 H new ATOM 1530 N VAL A 93 0.758 -3.374 7.031 1.00 0.00 N ATOM 1531 CA VAL A 93 0.386 -4.551 6.192 1.00 0.00 C ATOM 1532 C VAL A 93 -1.057 -4.963 6.487 1.00 0.00 C ATOM 1533 O VAL A 93 -1.793 -5.354 5.605 1.00 0.00 O ATOM 1534 CB VAL A 93 1.323 -5.723 6.510 1.00 0.00 C ATOM 1535 CG1 VAL A 93 2.763 -5.220 6.619 1.00 0.00 C ATOM 1536 CG2 VAL A 93 0.911 -6.372 7.832 1.00 0.00 C ATOM 0 H VAL A 93 1.324 -3.590 7.851 1.00 0.00 H new ATOM 0 HA VAL A 93 0.477 -4.283 5.139 1.00 0.00 H new ATOM 0 HB VAL A 93 1.255 -6.459 5.709 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.424 -6.056 6.845 1.00 0.00 H new ATOM 0 HG12 VAL A 93 3.062 -4.766 5.674 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.830 -4.479 7.415 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.580 -7.204 8.053 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.971 -5.635 8.633 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.112 -6.740 7.753 1.00 0.00 H new ATOM 1546 N ARG A 94 -1.463 -4.896 7.726 1.00 0.00 N ATOM 1547 CA ARG A 94 -2.853 -5.300 8.075 1.00 0.00 C ATOM 1548 C ARG A 94 -3.840 -4.227 7.616 1.00 0.00 C ATOM 1549 O ARG A 94 -5.020 -4.478 7.476 1.00 0.00 O ATOM 1550 CB ARG A 94 -2.968 -5.489 9.590 1.00 0.00 C ATOM 1551 CG ARG A 94 -2.848 -4.136 10.293 1.00 0.00 C ATOM 1552 CD ARG A 94 -3.951 -4.007 11.344 1.00 0.00 C ATOM 1553 NE ARG A 94 -3.781 -2.727 12.089 1.00 0.00 N ATOM 1554 CZ ARG A 94 -3.279 -2.734 13.293 1.00 0.00 C ATOM 1555 NH1 ARG A 94 -3.751 -3.553 14.192 1.00 0.00 N ATOM 1556 NH2 ARG A 94 -2.304 -1.922 13.598 1.00 0.00 N ATOM 0 H ARG A 94 -0.892 -4.579 8.510 1.00 0.00 H new ATOM 0 HA ARG A 94 -3.088 -6.238 7.573 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -3.923 -5.953 9.836 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -2.186 -6.162 9.942 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.869 -4.045 10.764 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -2.928 -3.328 9.566 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -4.930 -4.034 10.865 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -3.911 -4.850 12.034 1.00 0.00 H new ATOM 0 HE ARG A 94 -4.057 -1.845 11.657 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -4.513 -4.188 13.954 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -3.358 -3.558 15.133 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -1.935 -1.282 12.895 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -1.911 -1.927 14.539 1.00 0.00 H new ATOM 1570 N ASP A 95 -3.374 -3.032 7.381 1.00 0.00 N ATOM 1571 CA ASP A 95 -4.298 -1.958 6.936 1.00 0.00 C ATOM 1572 C ASP A 95 -4.449 -2.009 5.415 1.00 0.00 C ATOM 1573 O ASP A 95 -5.543 -2.097 4.897 1.00 0.00 O ATOM 1574 CB ASP A 95 -3.737 -0.604 7.359 1.00 0.00 C ATOM 1575 CG ASP A 95 -4.561 -0.058 8.526 1.00 0.00 C ATOM 1576 OD1 ASP A 95 -5.768 0.038 8.378 1.00 0.00 O ATOM 1577 OD2 ASP A 95 -3.971 0.252 9.547 1.00 0.00 O ATOM 0 H ASP A 95 -2.397 -2.756 7.478 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.276 -2.102 7.394 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -2.692 -0.706 7.653 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -3.766 0.092 6.521 1.00 0.00 H new ATOM 1582 N ILE A 96 -3.362 -1.969 4.690 1.00 0.00 N ATOM 1583 CA ILE A 96 -3.472 -2.032 3.205 1.00 0.00 C ATOM 1584 C ILE A 96 -3.991 -3.421 2.817 1.00 0.00 C ATOM 1585 O ILE A 96 -4.719 -3.580 1.856 1.00 0.00 O ATOM 1586 CB ILE A 96 -2.093 -1.772 2.566 1.00 0.00 C ATOM 1587 CG1 ILE A 96 -1.873 -0.258 2.449 1.00 0.00 C ATOM 1588 CG2 ILE A 96 -2.038 -2.399 1.169 1.00 0.00 C ATOM 1589 CD1 ILE A 96 -0.409 0.043 2.097 1.00 0.00 C ATOM 0 H ILE A 96 -2.413 -1.896 5.058 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.162 -1.269 2.844 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.316 -2.216 3.189 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.530 0.154 1.683 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.135 0.228 3.389 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.061 -2.211 0.724 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.201 -3.474 1.246 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.813 -1.959 0.542 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.268 1.121 2.017 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.241 -0.351 2.878 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.160 -0.427 1.146 1.00 0.00 H new ATOM 1601 N ASN A 97 -3.626 -4.426 3.568 1.00 0.00 N ATOM 1602 CA ASN A 97 -4.099 -5.805 3.256 1.00 0.00 C ATOM 1603 C ASN A 97 -5.557 -5.954 3.692 1.00 0.00 C ATOM 1604 O ASN A 97 -6.374 -6.489 2.973 1.00 0.00 O ATOM 1605 CB ASN A 97 -3.240 -6.826 4.004 1.00 0.00 C ATOM 1606 CG ASN A 97 -3.717 -8.240 3.664 1.00 0.00 C ATOM 1607 OD1 ASN A 97 -4.330 -8.899 4.478 1.00 0.00 O ATOM 1608 ND2 ASN A 97 -3.458 -8.737 2.485 1.00 0.00 N ATOM 0 H ASN A 97 -3.020 -4.351 4.385 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.018 -5.980 2.183 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.192 -6.708 3.728 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -3.307 -6.656 5.079 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -3.771 -9.679 2.249 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -2.943 -8.184 1.800 1.00 0.00 H new ATOM 1615 N LYS A 98 -5.894 -5.485 4.863 1.00 0.00 N ATOM 1616 CA LYS A 98 -7.303 -5.603 5.331 1.00 0.00 C ATOM 1617 C LYS A 98 -8.205 -4.789 4.403 1.00 0.00 C ATOM 1618 O LYS A 98 -9.370 -5.091 4.228 1.00 0.00 O ATOM 1619 CB LYS A 98 -7.417 -5.064 6.759 1.00 0.00 C ATOM 1620 CG LYS A 98 -8.864 -5.192 7.242 1.00 0.00 C ATOM 1621 CD LYS A 98 -9.045 -6.531 7.960 1.00 0.00 C ATOM 1622 CE LYS A 98 -9.648 -6.294 9.345 1.00 0.00 C ATOM 1623 NZ LYS A 98 -9.224 -7.387 10.266 1.00 0.00 N ATOM 0 H LYS A 98 -5.256 -5.027 5.514 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.609 -6.649 5.318 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.751 -5.617 7.422 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.103 -4.021 6.791 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.108 -4.370 7.915 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.548 -5.125 6.396 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.695 -7.183 7.376 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.085 -7.038 8.053 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -9.323 -5.329 9.735 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -10.736 -6.261 9.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -9.634 -7.226 11.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -9.555 -8.301 9.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -8.187 -7.398 10.337 1.00 0.00 H new ATOM 1637 N ALA A 99 -7.673 -3.761 3.803 1.00 0.00 N ATOM 1638 CA ALA A 99 -8.491 -2.926 2.880 1.00 0.00 C ATOM 1639 C ALA A 99 -8.782 -3.722 1.607 1.00 0.00 C ATOM 1640 O ALA A 99 -9.915 -3.844 1.185 1.00 0.00 O ATOM 1641 CB ALA A 99 -7.719 -1.654 2.525 1.00 0.00 C ATOM 0 H ALA A 99 -6.704 -3.462 3.913 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.430 -2.655 3.363 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -8.317 -1.042 1.849 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -7.508 -1.091 3.434 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -6.781 -1.922 2.038 1.00 0.00 H new ATOM 1647 N ILE A 100 -7.767 -4.269 0.994 1.00 0.00 N ATOM 1648 CA ILE A 100 -7.988 -5.063 -0.247 1.00 0.00 C ATOM 1649 C ILE A 100 -8.969 -6.204 0.058 1.00 0.00 C ATOM 1650 O ILE A 100 -9.955 -6.385 -0.627 1.00 0.00 O ATOM 1651 CB ILE A 100 -6.633 -5.607 -0.744 1.00 0.00 C ATOM 1652 CG1 ILE A 100 -6.069 -4.651 -1.795 1.00 0.00 C ATOM 1653 CG2 ILE A 100 -6.800 -6.998 -1.371 1.00 0.00 C ATOM 1654 CD1 ILE A 100 -4.825 -3.956 -1.240 1.00 0.00 C ATOM 0 H ILE A 100 -6.796 -4.200 1.299 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.417 -4.440 -1.032 1.00 0.00 H new ATOM 0 HB ILE A 100 -5.954 -5.686 0.105 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.817 -5.200 -2.703 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.820 -3.910 -2.068 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.831 -7.361 -1.714 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.203 -7.686 -0.628 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.485 -6.936 -2.217 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -4.424 -3.275 -1.990 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.091 -3.394 -0.345 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.072 -4.703 -0.989 1.00 0.00 H new ATOM 1666 N LYS A 101 -8.708 -6.970 1.081 1.00 0.00 N ATOM 1667 CA LYS A 101 -9.631 -8.090 1.423 1.00 0.00 C ATOM 1668 C LYS A 101 -10.998 -7.523 1.794 1.00 0.00 C ATOM 1669 O LYS A 101 -11.993 -8.219 1.803 1.00 0.00 O ATOM 1670 CB LYS A 101 -9.067 -8.885 2.603 1.00 0.00 C ATOM 1671 CG LYS A 101 -9.234 -10.383 2.338 1.00 0.00 C ATOM 1672 CD LYS A 101 -10.662 -10.809 2.687 1.00 0.00 C ATOM 1673 CE LYS A 101 -10.890 -10.644 4.191 1.00 0.00 C ATOM 1674 NZ LYS A 101 -11.049 -11.987 4.819 1.00 0.00 N ATOM 0 H LYS A 101 -7.899 -6.870 1.693 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.731 -8.752 0.563 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -8.013 -8.646 2.746 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.584 -8.608 3.522 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.023 -10.603 1.292 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.519 -10.950 2.933 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.379 -10.205 2.131 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.825 -11.846 2.395 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.049 -10.117 4.642 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.779 -10.039 4.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -11.204 -11.876 5.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -11.865 -12.474 4.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -10.189 -12.549 4.658 1.00 0.00 H new ATOM 1688 N CYS A 102 -11.053 -6.259 2.094 1.00 0.00 N ATOM 1689 CA CYS A 102 -12.355 -5.635 2.458 1.00 0.00 C ATOM 1690 C CYS A 102 -13.118 -5.290 1.179 1.00 0.00 C ATOM 1691 O CYS A 102 -14.334 -5.298 1.144 1.00 0.00 O ATOM 1692 CB CYS A 102 -12.105 -4.358 3.265 1.00 0.00 C ATOM 1693 SG CYS A 102 -13.686 -3.680 3.827 1.00 0.00 S ATOM 0 H CYS A 102 -10.252 -5.628 2.103 1.00 0.00 H new ATOM 0 HA CYS A 102 -12.940 -6.331 3.060 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -11.466 -4.575 4.121 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -11.580 -3.625 2.653 1.00 0.00 H new ATOM 0 HG CYS A 102 -13.474 -2.597 4.514 1.00 0.00 H new ATOM 1699 N ILE A 103 -12.411 -4.994 0.123 1.00 0.00 N ATOM 1700 CA ILE A 103 -13.084 -4.655 -1.160 1.00 0.00 C ATOM 1701 C ILE A 103 -13.830 -5.895 -1.672 1.00 0.00 C ATOM 1702 O ILE A 103 -14.916 -5.802 -2.208 1.00 0.00 O ATOM 1703 CB ILE A 103 -12.017 -4.175 -2.171 1.00 0.00 C ATOM 1704 CG1 ILE A 103 -12.320 -2.732 -2.581 1.00 0.00 C ATOM 1705 CG2 ILE A 103 -11.993 -5.056 -3.428 1.00 0.00 C ATOM 1706 CD1 ILE A 103 -11.822 -1.775 -1.499 1.00 0.00 C ATOM 0 H ILE A 103 -11.392 -4.973 0.095 1.00 0.00 H new ATOM 0 HA ILE A 103 -13.810 -3.853 -1.022 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.042 -4.240 -1.687 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.837 -2.505 -3.532 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -13.392 -2.603 -2.729 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -11.231 -4.688 -4.115 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.763 -6.084 -3.148 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -12.968 -5.022 -3.915 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -12.039 -0.748 -1.793 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -12.325 -1.997 -0.558 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -10.746 -1.897 -1.373 1.00 0.00 H new ATOM 1718 N GLU A 104 -13.252 -7.055 -1.509 1.00 0.00 N ATOM 1719 CA GLU A 104 -13.928 -8.297 -1.982 1.00 0.00 C ATOM 1720 C GLU A 104 -15.183 -8.539 -1.143 1.00 0.00 C ATOM 1721 O GLU A 104 -16.023 -9.352 -1.477 1.00 0.00 O ATOM 1722 CB GLU A 104 -12.975 -9.485 -1.838 1.00 0.00 C ATOM 1723 CG GLU A 104 -11.615 -9.125 -2.442 1.00 0.00 C ATOM 1724 CD GLU A 104 -11.402 -9.920 -3.732 1.00 0.00 C ATOM 1725 OE1 GLU A 104 -11.008 -11.071 -3.637 1.00 0.00 O ATOM 1726 OE2 GLU A 104 -11.637 -9.365 -4.792 1.00 0.00 O ATOM 0 H GLU A 104 -12.342 -7.196 -1.069 1.00 0.00 H new ATOM 0 HA GLU A 104 -14.207 -8.186 -3.030 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -12.860 -9.747 -0.786 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.388 -10.359 -2.341 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.569 -8.056 -2.650 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -10.819 -9.346 -1.731 1.00 0.00 H new ATOM 1733 N GLY A 105 -15.317 -7.831 -0.058 1.00 0.00 N ATOM 1734 CA GLY A 105 -16.516 -8.003 0.811 1.00 0.00 C ATOM 1735 C GLY A 105 -17.270 -6.676 0.898 1.00 0.00 C ATOM 1736 O GLY A 105 -18.205 -6.528 1.659 1.00 0.00 O ATOM 0 H GLY A 105 -14.645 -7.136 0.267 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -17.166 -8.778 0.405 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -16.214 -8.329 1.806 1.00 0.00 H new ATOM 1740 N LEU A 106 -16.870 -5.710 0.118 1.00 0.00 N ATOM 1741 CA LEU A 106 -17.557 -4.390 0.145 1.00 0.00 C ATOM 1742 C LEU A 106 -18.489 -4.292 -1.058 1.00 0.00 C ATOM 1743 O LEU A 106 -18.380 -3.402 -1.879 1.00 0.00 O ATOM 1744 CB LEU A 106 -16.516 -3.271 0.084 1.00 0.00 C ATOM 1745 CG LEU A 106 -16.394 -2.612 1.459 1.00 0.00 C ATOM 1746 CD1 LEU A 106 -15.266 -1.580 1.429 1.00 0.00 C ATOM 1747 CD2 LEU A 106 -17.712 -1.915 1.812 1.00 0.00 C ATOM 0 H LEU A 106 -16.093 -5.779 -0.540 1.00 0.00 H new ATOM 0 HA LEU A 106 -18.134 -4.291 1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -15.551 -3.674 -0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -16.806 -2.531 -0.662 1.00 0.00 H new ATOM 0 HG LEU A 106 -16.174 -3.373 2.208 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -15.177 -1.109 2.408 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -14.327 -2.074 1.178 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -15.488 -0.820 0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -17.624 -1.446 2.792 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -17.933 -1.154 1.064 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -18.518 -2.649 1.832 1.00 0.00 H new ATOM 1759 N GLU A 107 -19.402 -5.210 -1.165 1.00 0.00 N ATOM 1760 CA GLU A 107 -20.352 -5.195 -2.311 1.00 0.00 C ATOM 1761 C GLU A 107 -21.649 -4.497 -1.895 1.00 0.00 C ATOM 1762 O GLU A 107 -22.708 -4.763 -2.429 1.00 0.00 O ATOM 1763 CB GLU A 107 -20.659 -6.633 -2.737 1.00 0.00 C ATOM 1764 CG GLU A 107 -19.360 -7.336 -3.136 1.00 0.00 C ATOM 1765 CD GLU A 107 -19.593 -8.847 -3.202 1.00 0.00 C ATOM 1766 OE1 GLU A 107 -20.049 -9.310 -4.234 1.00 0.00 O ATOM 1767 OE2 GLU A 107 -19.310 -9.514 -2.221 1.00 0.00 O ATOM 0 H GLU A 107 -19.534 -5.976 -0.505 1.00 0.00 H new ATOM 0 HA GLU A 107 -19.904 -4.656 -3.146 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -21.140 -7.171 -1.920 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -21.357 -6.634 -3.574 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -19.018 -6.968 -4.103 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -18.576 -7.110 -2.414 1.00 0.00 H new ATOM 1774 N HIS A 108 -21.576 -3.601 -0.950 1.00 0.00 N ATOM 1775 CA HIS A 108 -22.804 -2.885 -0.504 1.00 0.00 C ATOM 1776 C HIS A 108 -23.094 -1.728 -1.464 1.00 0.00 C ATOM 1777 O HIS A 108 -22.702 -0.603 -1.230 1.00 0.00 O ATOM 1778 CB HIS A 108 -22.591 -2.335 0.907 1.00 0.00 C ATOM 1779 CG HIS A 108 -22.841 -3.426 1.912 1.00 0.00 C ATOM 1780 ND1 HIS A 108 -22.907 -4.762 1.552 1.00 0.00 N ATOM 1781 CD2 HIS A 108 -23.043 -3.392 3.270 1.00 0.00 C ATOM 1782 CE1 HIS A 108 -23.140 -5.472 2.671 1.00 0.00 C ATOM 1783 NE2 HIS A 108 -23.232 -4.686 3.747 1.00 0.00 N ATOM 0 H HIS A 108 -20.718 -3.334 -0.467 1.00 0.00 H new ATOM 0 HA HIS A 108 -23.647 -3.576 -0.500 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -21.575 -1.955 1.011 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -23.265 -1.497 1.088 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -23.054 -2.498 3.875 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -23.240 -6.547 2.696 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -23.404 -4.972 4.711 1.00 0.00 H new ATOM 1791 N HIS A 109 -23.777 -1.996 -2.543 1.00 0.00 N ATOM 1792 CA HIS A 109 -24.088 -0.910 -3.516 1.00 0.00 C ATOM 1793 C HIS A 109 -25.464 -1.159 -4.140 1.00 0.00 C ATOM 1794 O HIS A 109 -25.686 -0.890 -5.303 1.00 0.00 O ATOM 1795 CB HIS A 109 -23.026 -0.893 -4.617 1.00 0.00 C ATOM 1796 CG HIS A 109 -23.035 0.447 -5.302 1.00 0.00 C ATOM 1797 ND1 HIS A 109 -23.627 0.640 -6.541 1.00 0.00 N ATOM 1798 CD2 HIS A 109 -22.528 1.668 -4.935 1.00 0.00 C ATOM 1799 CE1 HIS A 109 -23.463 1.934 -6.872 1.00 0.00 C ATOM 1800 NE2 HIS A 109 -22.799 2.605 -5.928 1.00 0.00 N ATOM 0 H HIS A 109 -24.133 -2.919 -2.793 1.00 0.00 H new ATOM 0 HA HIS A 109 -24.093 0.049 -2.999 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -22.042 -1.089 -4.191 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -23.224 -1.684 -5.340 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -21.999 1.871 -4.016 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -23.824 2.376 -7.789 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -22.545 3.593 -5.933 1.00 0.00 H new ATOM 1808 N HIS A 110 -26.390 -1.669 -3.375 1.00 0.00 N ATOM 1809 CA HIS A 110 -27.750 -1.932 -3.926 1.00 0.00 C ATOM 1810 C HIS A 110 -28.648 -0.722 -3.658 1.00 0.00 C ATOM 1811 O HIS A 110 -29.091 -0.500 -2.549 1.00 0.00 O ATOM 1812 CB HIS A 110 -28.345 -3.169 -3.251 1.00 0.00 C ATOM 1813 CG HIS A 110 -27.665 -4.403 -3.777 1.00 0.00 C ATOM 1814 ND1 HIS A 110 -26.290 -4.478 -3.939 1.00 0.00 N ATOM 1815 CD2 HIS A 110 -28.157 -5.620 -4.181 1.00 0.00 C ATOM 1816 CE1 HIS A 110 -26.005 -5.702 -4.422 1.00 0.00 C ATOM 1817 NE2 HIS A 110 -27.107 -6.438 -4.588 1.00 0.00 N ATOM 0 H HIS A 110 -26.264 -1.915 -2.393 1.00 0.00 H new ATOM 0 HA HIS A 110 -27.681 -2.104 -5.000 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -28.218 -3.103 -2.170 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -29.417 -3.221 -3.443 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -29.200 -5.900 -4.183 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -25.007 -6.047 -4.648 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -27.166 -7.394 -4.938 1.00 0.00 H new ATOM 1825 N HIS A 111 -28.919 0.062 -4.664 1.00 0.00 N ATOM 1826 CA HIS A 111 -29.787 1.257 -4.464 1.00 0.00 C ATOM 1827 C HIS A 111 -31.253 0.820 -4.397 1.00 0.00 C ATOM 1828 O HIS A 111 -31.562 -0.298 -4.034 1.00 0.00 O ATOM 1829 CB HIS A 111 -29.600 2.228 -5.631 1.00 0.00 C ATOM 1830 CG HIS A 111 -29.528 3.635 -5.103 1.00 0.00 C ATOM 1831 ND1 HIS A 111 -30.081 3.997 -3.885 1.00 0.00 N ATOM 1832 CD2 HIS A 111 -28.972 4.781 -5.617 1.00 0.00 C ATOM 1833 CE1 HIS A 111 -29.849 5.310 -3.707 1.00 0.00 C ATOM 1834 NE2 HIS A 111 -29.177 5.837 -4.734 1.00 0.00 N ATOM 0 H HIS A 111 -28.577 -0.073 -5.616 1.00 0.00 H new ATOM 0 HA HIS A 111 -29.511 1.751 -3.532 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -28.689 1.986 -6.178 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -30.428 2.133 -6.334 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -28.455 4.852 -6.562 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -30.167 5.870 -2.840 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -28.878 6.806 -4.847 1.00 0.00 H new ATOM 1842 N HIS A 112 -32.156 1.695 -4.745 1.00 0.00 N ATOM 1843 CA HIS A 112 -33.601 1.334 -4.705 1.00 0.00 C ATOM 1844 C HIS A 112 -34.430 2.489 -5.273 1.00 0.00 C ATOM 1845 O HIS A 112 -34.787 3.414 -4.572 1.00 0.00 O ATOM 1846 CB HIS A 112 -34.023 1.069 -3.258 1.00 0.00 C ATOM 1847 CG HIS A 112 -34.790 -0.224 -3.191 1.00 0.00 C ATOM 1848 ND1 HIS A 112 -35.524 -0.705 -4.263 1.00 0.00 N ATOM 1849 CD2 HIS A 112 -34.943 -1.147 -2.186 1.00 0.00 C ATOM 1850 CE1 HIS A 112 -36.081 -1.869 -3.883 1.00 0.00 C ATOM 1851 NE2 HIS A 112 -35.760 -2.185 -2.625 1.00 0.00 N ATOM 0 H HIS A 112 -31.955 2.646 -5.056 1.00 0.00 H new ATOM 0 HA HIS A 112 -33.767 0.437 -5.302 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -33.145 1.017 -2.615 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -34.639 1.890 -2.891 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -34.497 -1.078 -1.205 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -36.711 -2.475 -4.518 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -36.051 -3.009 -2.100 1.00 0.00 H new ATOM 1859 N HIS A 113 -34.737 2.440 -6.540 1.00 0.00 N ATOM 1860 CA HIS A 113 -35.540 3.535 -7.154 1.00 0.00 C ATOM 1861 C HIS A 113 -37.012 3.360 -6.774 1.00 0.00 C ATOM 1862 O HIS A 113 -37.352 3.664 -5.642 1.00 0.00 O ATOM 1863 CB HIS A 113 -35.397 3.479 -8.676 1.00 0.00 C ATOM 1864 CG HIS A 113 -33.970 3.763 -9.057 1.00 0.00 C ATOM 1865 ND1 HIS A 113 -33.438 5.042 -9.030 1.00 0.00 N ATOM 1866 CD2 HIS A 113 -32.951 2.943 -9.479 1.00 0.00 C ATOM 1867 CE1 HIS A 113 -32.155 4.957 -9.427 1.00 0.00 C ATOM 1868 NE2 HIS A 113 -31.807 3.699 -9.713 1.00 0.00 N ATOM 1869 OXT HIS A 113 -37.775 2.926 -7.621 1.00 0.00 O ATOM 0 H HIS A 113 -34.467 1.690 -7.176 1.00 0.00 H new ATOM 0 HA HIS A 113 -35.182 4.498 -6.790 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -35.694 2.497 -9.044 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -36.061 4.208 -9.141 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -33.027 1.874 -9.609 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -31.488 5.803 -9.505 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -30.898 3.365 -10.034 1.00 0.00 H new TER 1877 HIS A 113