USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 593 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 45 HIS : no HE2:sc= -0.0833 K(o=1.6,f=-13!) USER MOD Set 1.2: A 47 LYS NZ :NH3+ 140:sc= 1.7 (180deg=-0.0382) USER MOD Set 2.1: A 14 THR OG1 : rot 88:sc= 0.988 USER MOD Set 2.2: A 42 ASN : amide:sc= 0.867 K(o=1.9,f=1.2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 153:sc= 0.603 (180deg=-0.847!) USER MOD Single : A 13 MET CE :methyl -169:sc= -0.292 (180deg=-0.435) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -1.36 X(o=-1.4,f=-1.5) USER MOD Single : A 21 LYS NZ :NH3+ -139:sc= 1.27 (180deg=1.03) USER MOD Single : A 24 SER OG : rot 84:sc= 1.04 USER MOD Single : A 25 SER OG : rot 150:sc= 0 USER MOD Single : A 27 THR OG1 : rot -76:sc= 0.627 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HE2:sc= 0.143 K(o=0.14,f=-4.6!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 22:sc= -1.19 USER MOD Single : A 36 SER OG : rot 52:sc= 1.24 USER MOD Single : A 41 THR OG1 : rot -150:sc= -0.0682 USER MOD Single : A 43 LYS NZ :NH3+ 158:sc= 0.712 (180deg=-0.396!) USER MOD Single : A 48 TYR OH : rot 151:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.0363 K(o=-0.036,f=-0.61) USER MOD Single : A 61 THR OG1 : rot 77:sc= 1.23 USER MOD Single : A 64 SER OG : rot 72:sc= 1.05 USER MOD Single : A 70 SER OG : rot 180:sc= 0.639 USER MOD Single : A 73 LYS NZ :NH3+ -175:sc= -0.356! (180deg=-0.779!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.126 -13.325 -5.872 1.00 5.86 N ATOM 2 CA MET A 1 -14.346 -12.851 -7.247 1.00 4.51 C ATOM 3 C MET A 1 -14.551 -11.340 -7.225 1.00 3.43 C ATOM 4 O MET A 1 -15.086 -10.827 -6.249 1.00 4.24 O ATOM 5 CB MET A 1 -15.552 -13.541 -7.899 1.00 5.06 C ATOM 6 CG MET A 1 -15.305 -15.027 -8.185 1.00 6.11 C ATOM 7 SD MET A 1 -16.669 -15.840 -9.055 1.00 6.97 S ATOM 8 CE MET A 1 -15.982 -17.500 -9.239 1.00 8.30 C ATOM 0 H1 MET A 1 -14.433 -14.315 -5.793 1.00 5.86 H new ATOM 0 H2 MET A 1 -13.115 -13.256 -5.639 1.00 5.86 H new ATOM 0 H3 MET A 1 -14.674 -12.739 -5.211 1.00 5.86 H new ATOM 0 HA MET A 1 -13.469 -13.100 -7.844 1.00 4.51 H new ATOM 0 HB2 MET A 1 -16.419 -13.441 -7.246 1.00 5.06 H new ATOM 0 HB3 MET A 1 -15.795 -13.032 -8.832 1.00 5.06 H new ATOM 0 HG2 MET A 1 -14.397 -15.127 -8.779 1.00 6.11 H new ATOM 0 HG3 MET A 1 -15.128 -15.544 -7.242 1.00 6.11 H new ATOM 0 HE1 MET A 1 -16.699 -18.135 -9.759 1.00 8.30 H new ATOM 0 HE2 MET A 1 -15.058 -17.450 -9.815 1.00 8.30 H new ATOM 0 HE3 MET A 1 -15.774 -17.919 -8.254 1.00 8.30 H new ATOM 20 N GLY A 2 -14.152 -10.651 -8.300 1.00 2.63 N ATOM 21 CA GLY A 2 -14.141 -9.197 -8.347 1.00 2.73 C ATOM 22 C GLY A 2 -12.823 -8.694 -7.765 1.00 2.21 C ATOM 23 O GLY A 2 -12.476 -9.037 -6.637 1.00 2.84 O ATOM 0 H GLY A 2 -13.828 -11.093 -9.160 1.00 2.63 H new ATOM 0 HA2 GLY A 2 -14.255 -8.852 -9.375 1.00 2.73 H new ATOM 0 HA3 GLY A 2 -14.981 -8.795 -7.781 1.00 2.73 H new ATOM 27 N ASP A 3 -12.070 -7.919 -8.547 1.00 2.02 N ATOM 28 CA ASP A 3 -10.852 -7.268 -8.100 1.00 1.65 C ATOM 29 C ASP A 3 -11.212 -6.043 -7.255 1.00 1.54 C ATOM 30 O ASP A 3 -12.383 -5.770 -6.986 1.00 2.24 O ATOM 31 CB ASP A 3 -10.038 -6.860 -9.337 1.00 1.58 C ATOM 32 CG ASP A 3 -10.802 -5.845 -10.176 1.00 2.44 C ATOM 33 OD1 ASP A 3 -11.886 -6.241 -10.663 1.00 3.85 O ATOM 34 OD2 ASP A 3 -10.303 -4.706 -10.292 1.00 2.89 O ATOM 0 H ASP A 3 -12.298 -7.727 -9.522 1.00 2.02 H new ATOM 0 HA ASP A 3 -10.256 -7.943 -7.486 1.00 1.65 H new ATOM 0 HB2 ASP A 3 -9.083 -6.436 -9.026 1.00 1.58 H new ATOM 0 HB3 ASP A 3 -9.815 -7.741 -9.938 1.00 1.58 H new ATOM 39 N GLY A 4 -10.197 -5.290 -6.837 1.00 1.27 N ATOM 40 CA GLY A 4 -10.375 -4.043 -6.125 1.00 1.41 C ATOM 41 C GLY A 4 -9.045 -3.306 -6.099 1.00 1.22 C ATOM 42 O GLY A 4 -7.989 -3.925 -6.238 1.00 1.65 O ATOM 0 H GLY A 4 -9.219 -5.538 -6.989 1.00 1.27 H new ATOM 0 HA2 GLY A 4 -11.136 -3.434 -6.613 1.00 1.41 H new ATOM 0 HA3 GLY A 4 -10.722 -4.233 -5.109 1.00 1.41 H new ATOM 46 N VAL A 5 -9.097 -1.982 -5.932 1.00 0.95 N ATOM 47 CA VAL A 5 -7.931 -1.146 -5.714 1.00 0.97 C ATOM 48 C VAL A 5 -8.306 -0.152 -4.624 1.00 0.88 C ATOM 49 O VAL A 5 -9.456 0.283 -4.568 1.00 1.20 O ATOM 50 CB VAL A 5 -7.460 -0.456 -7.014 1.00 1.33 C ATOM 51 CG1 VAL A 5 -7.452 -1.426 -8.202 1.00 2.39 C ATOM 52 CG2 VAL A 5 -8.281 0.778 -7.411 1.00 2.04 C ATOM 0 H VAL A 5 -9.972 -1.458 -5.946 1.00 0.95 H new ATOM 0 HA VAL A 5 -7.077 -1.746 -5.398 1.00 0.97 H new ATOM 0 HB VAL A 5 -6.449 -0.123 -6.781 1.00 1.33 H new ATOM 0 HG11 VAL A 5 -7.115 -0.903 -9.097 1.00 2.39 H new ATOM 0 HG12 VAL A 5 -6.777 -2.255 -7.990 1.00 2.39 H new ATOM 0 HG13 VAL A 5 -8.459 -1.811 -8.364 1.00 2.39 H new ATOM 0 HG21 VAL A 5 -7.882 1.199 -8.334 1.00 2.04 H new ATOM 0 HG22 VAL A 5 -9.321 0.489 -7.564 1.00 2.04 H new ATOM 0 HG23 VAL A 5 -8.224 1.523 -6.618 1.00 2.04 H new ATOM 62 N LEU A 6 -7.360 0.193 -3.752 1.00 0.68 N ATOM 63 CA LEU A 6 -7.552 1.176 -2.717 1.00 0.68 C ATOM 64 C LEU A 6 -6.224 1.908 -2.589 1.00 0.73 C ATOM 65 O LEU A 6 -5.171 1.268 -2.670 1.00 0.89 O ATOM 66 CB LEU A 6 -7.927 0.440 -1.429 1.00 0.82 C ATOM 67 CG LEU A 6 -8.110 1.369 -0.228 1.00 1.74 C ATOM 68 CD1 LEU A 6 -9.349 2.256 -0.396 1.00 3.01 C ATOM 69 CD2 LEU A 6 -8.255 0.534 1.047 1.00 2.15 C ATOM 0 H LEU A 6 -6.426 -0.217 -3.755 1.00 0.68 H new ATOM 0 HA LEU A 6 -8.347 1.889 -2.934 1.00 0.68 H new ATOM 0 HB2 LEU A 6 -8.850 -0.116 -1.593 1.00 0.82 H new ATOM 0 HB3 LEU A 6 -7.152 -0.291 -1.198 1.00 0.82 H new ATOM 0 HG LEU A 6 -7.233 2.012 -0.158 1.00 1.74 H new ATOM 0 HD11 LEU A 6 -9.452 2.905 0.474 1.00 3.01 H new ATOM 0 HD12 LEU A 6 -9.241 2.866 -1.293 1.00 3.01 H new ATOM 0 HD13 LEU A 6 -10.236 1.629 -0.488 1.00 3.01 H new ATOM 0 HD21 LEU A 6 -8.385 1.196 1.903 1.00 2.15 H new ATOM 0 HD22 LEU A 6 -9.123 -0.119 0.958 1.00 2.15 H new ATOM 0 HD23 LEU A 6 -7.360 -0.071 1.190 1.00 2.15 H new ATOM 81 N GLU A 7 -6.293 3.229 -2.401 1.00 0.71 N ATOM 82 CA GLU A 7 -5.139 4.060 -2.112 1.00 0.83 C ATOM 83 C GLU A 7 -5.170 4.469 -0.652 1.00 0.84 C ATOM 84 O GLU A 7 -6.216 4.894 -0.154 1.00 1.11 O ATOM 85 CB GLU A 7 -5.095 5.329 -2.957 1.00 0.99 C ATOM 86 CG GLU A 7 -5.451 5.131 -4.430 1.00 0.91 C ATOM 87 CD GLU A 7 -5.190 6.439 -5.148 1.00 1.43 C ATOM 88 OE1 GLU A 7 -5.698 7.479 -4.672 1.00 2.79 O ATOM 89 OE2 GLU A 7 -4.364 6.438 -6.085 1.00 2.08 O ATOM 0 H GLU A 7 -7.168 3.751 -2.448 1.00 0.71 H new ATOM 0 HA GLU A 7 -4.256 3.466 -2.347 1.00 0.83 H new ATOM 0 HB2 GLU A 7 -5.781 6.059 -2.527 1.00 0.99 H new ATOM 0 HB3 GLU A 7 -4.094 5.756 -2.894 1.00 0.99 H new ATOM 0 HG2 GLU A 7 -4.852 4.331 -4.864 1.00 0.91 H new ATOM 0 HG3 GLU A 7 -6.496 4.839 -4.535 1.00 0.91 H new ATOM 96 N LEU A 8 -4.015 4.384 -0.001 1.00 0.74 N ATOM 97 CA LEU A 8 -3.790 4.834 1.356 1.00 0.76 C ATOM 98 C LEU A 8 -2.640 5.834 1.333 1.00 0.77 C ATOM 99 O LEU A 8 -1.646 5.634 0.636 1.00 0.72 O ATOM 100 CB LEU A 8 -3.527 3.659 2.318 1.00 0.85 C ATOM 101 CG LEU A 8 -2.878 2.439 1.642 1.00 0.81 C ATOM 102 CD1 LEU A 8 -1.976 1.674 2.608 1.00 1.18 C ATOM 103 CD2 LEU A 8 -3.945 1.462 1.118 1.00 1.36 C ATOM 0 H LEU A 8 -3.180 3.982 -0.427 1.00 0.74 H new ATOM 0 HA LEU A 8 -4.687 5.320 1.739 1.00 0.76 H new ATOM 0 HB2 LEU A 8 -2.882 4.001 3.127 1.00 0.85 H new ATOM 0 HB3 LEU A 8 -4.470 3.353 2.770 1.00 0.85 H new ATOM 0 HG LEU A 8 -2.284 2.827 0.814 1.00 0.81 H new ATOM 0 HD11 LEU A 8 -1.535 0.819 2.095 1.00 1.18 H new ATOM 0 HD12 LEU A 8 -1.183 2.332 2.964 1.00 1.18 H new ATOM 0 HD13 LEU A 8 -2.565 1.324 3.456 1.00 1.18 H new ATOM 0 HD21 LEU A 8 -3.457 0.610 0.645 1.00 1.36 H new ATOM 0 HD22 LEU A 8 -4.559 1.114 1.949 1.00 1.36 H new ATOM 0 HD23 LEU A 8 -4.576 1.969 0.388 1.00 1.36 H new ATOM 115 N VAL A 9 -2.803 6.925 2.078 1.00 0.88 N ATOM 116 CA VAL A 9 -1.807 7.975 2.207 1.00 0.92 C ATOM 117 C VAL A 9 -0.813 7.511 3.267 1.00 0.85 C ATOM 118 O VAL A 9 -1.189 7.320 4.427 1.00 0.92 O ATOM 119 CB VAL A 9 -2.464 9.323 2.545 1.00 1.09 C ATOM 120 CG1 VAL A 9 -1.414 10.442 2.530 1.00 1.12 C ATOM 121 CG2 VAL A 9 -3.542 9.673 1.510 1.00 1.40 C ATOM 0 H VAL A 9 -3.650 7.103 2.618 1.00 0.88 H new ATOM 0 HA VAL A 9 -1.282 8.146 1.267 1.00 0.92 H new ATOM 0 HB VAL A 9 -2.912 9.235 3.535 1.00 1.09 H new ATOM 0 HG11 VAL A 9 -1.891 11.392 2.771 1.00 1.12 H new ATOM 0 HG12 VAL A 9 -0.642 10.226 3.268 1.00 1.12 H new ATOM 0 HG13 VAL A 9 -0.962 10.504 1.540 1.00 1.12 H new ATOM 0 HG21 VAL A 9 -3.995 10.630 1.766 1.00 1.40 H new ATOM 0 HG22 VAL A 9 -3.089 9.739 0.521 1.00 1.40 H new ATOM 0 HG23 VAL A 9 -4.308 8.898 1.507 1.00 1.40 H new ATOM 131 N VAL A 10 0.430 7.287 2.845 1.00 0.83 N ATOM 132 CA VAL A 10 1.482 6.601 3.570 1.00 0.68 C ATOM 133 C VAL A 10 2.500 7.628 4.049 1.00 0.69 C ATOM 134 O VAL A 10 3.524 7.869 3.409 1.00 0.69 O ATOM 135 CB VAL A 10 2.086 5.509 2.673 1.00 0.59 C ATOM 136 CG1 VAL A 10 1.189 4.269 2.713 1.00 0.76 C ATOM 137 CG2 VAL A 10 2.250 5.939 1.210 1.00 0.82 C ATOM 0 H VAL A 10 0.743 7.603 1.927 1.00 0.83 H new ATOM 0 HA VAL A 10 1.095 6.098 4.456 1.00 0.68 H new ATOM 0 HB VAL A 10 3.082 5.302 3.066 1.00 0.59 H new ATOM 0 HG11 VAL A 10 1.614 3.492 2.078 1.00 0.76 H new ATOM 0 HG12 VAL A 10 1.120 3.903 3.737 1.00 0.76 H new ATOM 0 HG13 VAL A 10 0.194 4.528 2.352 1.00 0.76 H new ATOM 0 HG21 VAL A 10 2.682 5.119 0.636 1.00 0.82 H new ATOM 0 HG22 VAL A 10 1.276 6.199 0.796 1.00 0.82 H new ATOM 0 HG23 VAL A 10 2.909 6.805 1.157 1.00 0.82 H new ATOM 147 N ARG A 11 2.218 8.241 5.198 1.00 0.80 N ATOM 148 CA ARG A 11 3.053 9.319 5.690 1.00 0.89 C ATOM 149 C ARG A 11 4.301 8.691 6.297 1.00 0.81 C ATOM 150 O ARG A 11 4.204 7.838 7.181 1.00 0.99 O ATOM 151 CB ARG A 11 2.311 10.200 6.704 1.00 1.15 C ATOM 152 CG ARG A 11 1.195 11.039 6.055 1.00 1.12 C ATOM 153 CD ARG A 11 -0.157 10.320 6.026 1.00 1.76 C ATOM 154 NE ARG A 11 -0.647 10.087 7.390 1.00 2.71 N ATOM 155 CZ ARG A 11 -1.392 9.052 7.808 1.00 4.03 C ATOM 156 NH1 ARG A 11 -1.782 8.083 6.982 1.00 4.86 N ATOM 157 NH2 ARG A 11 -1.754 8.988 9.088 1.00 5.11 N ATOM 0 H ARG A 11 1.425 8.008 5.795 1.00 0.80 H new ATOM 0 HA ARG A 11 3.327 9.982 4.869 1.00 0.89 H new ATOM 0 HB2 ARG A 11 1.880 9.569 7.481 1.00 1.15 H new ATOM 0 HB3 ARG A 11 3.024 10.865 7.192 1.00 1.15 H new ATOM 0 HG2 ARG A 11 1.090 11.977 6.601 1.00 1.12 H new ATOM 0 HG3 ARG A 11 1.486 11.294 5.036 1.00 1.12 H new ATOM 0 HD2 ARG A 11 -0.881 10.917 5.471 1.00 1.76 H new ATOM 0 HD3 ARG A 11 -0.058 9.369 5.502 1.00 1.76 H new ATOM 0 HE ARG A 11 -0.395 10.783 8.092 1.00 2.71 H new ATOM 0 HH11 ARG A 11 -1.515 8.113 5.998 1.00 4.86 H new ATOM 0 HH12 ARG A 11 -2.348 7.311 7.333 1.00 4.86 H new ATOM 0 HH21 ARG A 11 -1.465 9.720 9.737 1.00 5.11 H new ATOM 0 HH22 ARG A 11 -2.320 8.207 9.419 1.00 5.11 H new ATOM 171 N GLY A 12 5.461 9.093 5.772 1.00 0.69 N ATOM 172 CA GLY A 12 6.760 8.567 6.147 1.00 0.73 C ATOM 173 C GLY A 12 7.539 8.119 4.913 1.00 0.72 C ATOM 174 O GLY A 12 8.755 8.289 4.871 1.00 0.95 O ATOM 0 H GLY A 12 5.515 9.815 5.054 1.00 0.69 H new ATOM 0 HA2 GLY A 12 7.325 9.329 6.683 1.00 0.73 H new ATOM 0 HA3 GLY A 12 6.634 7.726 6.829 1.00 0.73 H new ATOM 178 N MET A 13 6.863 7.544 3.911 1.00 0.73 N ATOM 179 CA MET A 13 7.537 6.944 2.776 1.00 1.03 C ATOM 180 C MET A 13 7.727 8.056 1.739 1.00 1.34 C ATOM 181 O MET A 13 6.741 8.633 1.282 1.00 1.83 O ATOM 182 CB MET A 13 6.709 5.720 2.333 1.00 1.57 C ATOM 183 CG MET A 13 5.637 5.999 1.288 1.00 1.16 C ATOM 184 SD MET A 13 6.261 5.958 -0.411 1.00 1.15 S ATOM 185 CE MET A 13 4.918 6.840 -1.210 1.00 1.29 C ATOM 0 H MET A 13 5.845 7.487 3.873 1.00 0.73 H new ATOM 0 HA MET A 13 8.533 6.551 2.982 1.00 1.03 H new ATOM 0 HB2 MET A 13 7.390 4.966 1.938 1.00 1.57 H new ATOM 0 HB3 MET A 13 6.231 5.288 3.213 1.00 1.57 H new ATOM 0 HG2 MET A 13 4.839 5.264 1.392 1.00 1.16 H new ATOM 0 HG3 MET A 13 5.197 6.977 1.482 1.00 1.16 H new ATOM 0 HE1 MET A 13 5.017 6.751 -2.292 1.00 1.29 H new ATOM 0 HE2 MET A 13 3.965 6.413 -0.897 1.00 1.29 H new ATOM 0 HE3 MET A 13 4.955 7.892 -0.927 1.00 1.29 H new ATOM 195 N THR A 14 8.964 8.474 1.445 1.00 1.15 N ATOM 196 CA THR A 14 9.134 9.701 0.668 1.00 1.60 C ATOM 197 C THR A 14 10.487 9.807 -0.058 1.00 1.07 C ATOM 198 O THR A 14 10.919 10.903 -0.411 1.00 1.13 O ATOM 199 CB THR A 14 8.749 10.917 1.548 1.00 2.57 C ATOM 200 OG1 THR A 14 8.171 11.952 0.778 1.00 3.85 O ATOM 201 CG2 THR A 14 9.890 11.451 2.420 1.00 2.63 C ATOM 0 H THR A 14 9.826 8.003 1.720 1.00 1.15 H new ATOM 0 HA THR A 14 8.443 9.682 -0.175 1.00 1.60 H new ATOM 0 HB THR A 14 8.001 10.538 2.244 1.00 2.57 H new ATOM 0 HG1 THR A 14 7.203 11.810 0.713 1.00 3.85 H new ATOM 0 HG21 THR A 14 9.535 12.301 3.003 1.00 2.63 H new ATOM 0 HG22 THR A 14 10.231 10.665 3.094 1.00 2.63 H new ATOM 0 HG23 THR A 14 10.717 11.767 1.784 1.00 2.63 H new ATOM 209 N CYS A 15 11.135 8.678 -0.371 1.00 0.88 N ATOM 210 CA CYS A 15 12.187 8.637 -1.379 1.00 0.86 C ATOM 211 C CYS A 15 12.139 7.276 -2.062 1.00 0.78 C ATOM 212 O CYS A 15 11.477 6.362 -1.565 1.00 0.70 O ATOM 213 CB CYS A 15 13.567 8.941 -0.776 1.00 0.96 C ATOM 214 SG CYS A 15 14.394 7.568 0.069 1.00 1.27 S ATOM 0 H CYS A 15 10.943 7.777 0.067 1.00 0.88 H new ATOM 0 HA CYS A 15 12.018 9.417 -2.122 1.00 0.86 H new ATOM 0 HB2 CYS A 15 14.219 9.294 -1.575 1.00 0.96 H new ATOM 0 HB3 CYS A 15 13.458 9.762 -0.068 1.00 0.96 H new ATOM 219 N ALA A 16 12.848 7.143 -3.187 1.00 0.86 N ATOM 220 CA ALA A 16 12.907 5.924 -3.987 1.00 0.89 C ATOM 221 C ALA A 16 13.177 4.686 -3.129 1.00 0.83 C ATOM 222 O ALA A 16 12.635 3.611 -3.389 1.00 0.85 O ATOM 223 CB ALA A 16 13.983 6.076 -5.066 1.00 1.06 C ATOM 0 H ALA A 16 13.410 7.902 -3.573 1.00 0.86 H new ATOM 0 HA ALA A 16 11.934 5.778 -4.456 1.00 0.89 H new ATOM 0 HB1 ALA A 16 14.029 5.166 -5.665 1.00 1.06 H new ATOM 0 HB2 ALA A 16 13.737 6.921 -5.709 1.00 1.06 H new ATOM 0 HB3 ALA A 16 14.950 6.248 -4.594 1.00 1.06 H new ATOM 229 N SER A 17 14.012 4.834 -2.096 1.00 0.83 N ATOM 230 CA SER A 17 14.254 3.747 -1.168 1.00 0.86 C ATOM 231 C SER A 17 12.944 3.319 -0.505 1.00 0.78 C ATOM 232 O SER A 17 12.600 2.141 -0.513 1.00 1.01 O ATOM 233 CB SER A 17 15.338 4.107 -0.146 1.00 0.89 C ATOM 234 OG SER A 17 15.783 2.934 0.509 1.00 1.89 O ATOM 0 H SER A 17 14.524 5.692 -1.890 1.00 0.83 H new ATOM 0 HA SER A 17 14.637 2.893 -1.726 1.00 0.86 H new ATOM 0 HB2 SER A 17 16.174 4.596 -0.645 1.00 0.89 H new ATOM 0 HB3 SER A 17 14.944 4.815 0.583 1.00 0.89 H new ATOM 0 HG SER A 17 16.477 3.166 1.161 1.00 1.89 H new ATOM 240 N CYS A 18 12.181 4.267 0.037 1.00 0.58 N ATOM 241 CA CYS A 18 10.909 3.951 0.661 1.00 0.54 C ATOM 242 C CYS A 18 9.939 3.345 -0.353 1.00 0.55 C ATOM 243 O CYS A 18 9.241 2.383 -0.034 1.00 0.62 O ATOM 244 CB CYS A 18 10.316 5.198 1.308 1.00 0.56 C ATOM 245 SG CYS A 18 11.358 6.013 2.543 1.00 0.71 S ATOM 0 H CYS A 18 12.426 5.257 0.054 1.00 0.58 H new ATOM 0 HA CYS A 18 11.080 3.207 1.439 1.00 0.54 H new ATOM 0 HB2 CYS A 18 10.085 5.918 0.522 1.00 0.56 H new ATOM 0 HB3 CYS A 18 9.371 4.926 1.779 1.00 0.56 H new ATOM 250 N VAL A 19 9.906 3.893 -1.573 1.00 0.53 N ATOM 251 CA VAL A 19 9.074 3.370 -2.647 1.00 0.48 C ATOM 252 C VAL A 19 9.341 1.881 -2.779 1.00 0.47 C ATOM 253 O VAL A 19 8.444 1.059 -2.586 1.00 0.43 O ATOM 254 CB VAL A 19 9.349 4.099 -3.977 1.00 0.56 C ATOM 255 CG1 VAL A 19 8.546 3.530 -5.154 1.00 0.58 C ATOM 256 CG2 VAL A 19 9.033 5.585 -3.839 1.00 0.65 C ATOM 0 H VAL A 19 10.457 4.710 -1.837 1.00 0.53 H new ATOM 0 HA VAL A 19 8.024 3.538 -2.407 1.00 0.48 H new ATOM 0 HB VAL A 19 10.406 3.947 -4.194 1.00 0.56 H new ATOM 0 HG11 VAL A 19 8.785 4.087 -6.060 1.00 0.58 H new ATOM 0 HG12 VAL A 19 8.802 2.480 -5.295 1.00 0.58 H new ATOM 0 HG13 VAL A 19 7.480 3.619 -4.944 1.00 0.58 H new ATOM 0 HG21 VAL A 19 9.231 6.089 -4.785 1.00 0.65 H new ATOM 0 HG22 VAL A 19 7.983 5.711 -3.574 1.00 0.65 H new ATOM 0 HG23 VAL A 19 9.658 6.019 -3.059 1.00 0.65 H new ATOM 266 N HIS A 20 10.591 1.531 -3.086 1.00 0.56 N ATOM 267 CA HIS A 20 10.919 0.158 -3.359 1.00 0.61 C ATOM 268 C HIS A 20 10.767 -0.716 -2.110 1.00 0.61 C ATOM 269 O HIS A 20 10.394 -1.882 -2.243 1.00 0.63 O ATOM 270 CB HIS A 20 12.221 0.069 -4.165 1.00 0.73 C ATOM 271 CG HIS A 20 13.546 0.456 -3.551 1.00 0.78 C ATOM 272 ND1 HIS A 20 14.656 0.835 -4.274 1.00 0.90 N ATOM 273 CD2 HIS A 20 13.955 0.280 -2.258 1.00 0.80 C ATOM 274 CE1 HIS A 20 15.700 0.895 -3.430 1.00 0.98 C ATOM 275 NE2 HIS A 20 15.324 0.563 -2.185 1.00 0.91 N ATOM 0 H HIS A 20 11.375 2.181 -3.148 1.00 0.56 H new ATOM 0 HA HIS A 20 10.190 -0.298 -4.029 1.00 0.61 H new ATOM 0 HB2 HIS A 20 12.316 -0.962 -4.505 1.00 0.73 H new ATOM 0 HB3 HIS A 20 12.089 0.686 -5.054 1.00 0.73 H new ATOM 0 HD2 HIS A 20 13.328 -0.025 -1.433 1.00 0.80 H new ATOM 0 HE1 HIS A 20 16.704 1.172 -3.715 1.00 0.98 H new ATOM 0 HE2 HIS A 20 15.915 0.525 -1.355 1.00 0.91 H new ATOM 283 N LYS A 21 10.967 -0.156 -0.906 1.00 0.63 N ATOM 284 CA LYS A 21 10.667 -0.804 0.352 1.00 0.70 C ATOM 285 C LYS A 21 9.223 -1.291 0.331 1.00 0.59 C ATOM 286 O LYS A 21 8.980 -2.489 0.483 1.00 0.70 O ATOM 287 CB LYS A 21 10.901 0.186 1.504 1.00 0.89 C ATOM 288 CG LYS A 21 11.247 -0.518 2.807 1.00 1.04 C ATOM 289 CD LYS A 21 11.128 0.496 3.955 1.00 1.92 C ATOM 290 CE LYS A 21 11.598 -0.055 5.307 1.00 2.56 C ATOM 291 NZ LYS A 21 11.361 0.914 6.401 1.00 3.79 N ATOM 0 H LYS A 21 11.351 0.782 -0.793 1.00 0.63 H new ATOM 0 HA LYS A 21 11.321 -1.663 0.501 1.00 0.70 H new ATOM 0 HB2 LYS A 21 11.708 0.868 1.236 1.00 0.89 H new ATOM 0 HB3 LYS A 21 10.006 0.792 1.647 1.00 0.89 H new ATOM 0 HG2 LYS A 21 10.574 -1.359 2.973 1.00 1.04 H new ATOM 0 HG3 LYS A 21 12.258 -0.923 2.762 1.00 1.04 H new ATOM 0 HD2 LYS A 21 11.713 1.382 3.709 1.00 1.92 H new ATOM 0 HD3 LYS A 21 10.089 0.814 4.042 1.00 1.92 H new ATOM 0 HE2 LYS A 21 11.073 -0.985 5.524 1.00 2.56 H new ATOM 0 HE3 LYS A 21 12.660 -0.293 5.254 1.00 2.56 H new ATOM 0 HZ1 LYS A 21 12.178 0.919 7.044 1.00 3.79 H new ATOM 0 HZ2 LYS A 21 11.230 1.865 6.000 1.00 3.79 H new ATOM 0 HZ3 LYS A 21 10.507 0.640 6.928 1.00 3.79 H new ATOM 305 N ILE A 22 8.264 -0.374 0.142 1.00 0.44 N ATOM 306 CA ILE A 22 6.868 -0.783 0.120 1.00 0.39 C ATOM 307 C ILE A 22 6.658 -1.756 -1.027 1.00 0.45 C ATOM 308 O ILE A 22 6.227 -2.883 -0.796 1.00 0.59 O ATOM 309 CB ILE A 22 5.879 0.394 0.042 1.00 0.40 C ATOM 310 CG1 ILE A 22 6.147 1.365 1.198 1.00 0.46 C ATOM 311 CG2 ILE A 22 4.455 -0.182 0.115 1.00 0.75 C ATOM 312 CD1 ILE A 22 5.110 2.474 1.349 1.00 0.70 C ATOM 0 H ILE A 22 8.428 0.624 0.007 1.00 0.44 H new ATOM 0 HA ILE A 22 6.653 -1.270 1.071 1.00 0.39 H new ATOM 0 HB ILE A 22 5.998 0.947 -0.890 1.00 0.40 H new ATOM 0 HG12 ILE A 22 6.192 0.798 2.128 1.00 0.46 H new ATOM 0 HG13 ILE A 22 7.127 1.819 1.054 1.00 0.46 H new ATOM 0 HG21 ILE A 22 3.731 0.631 0.062 1.00 0.75 H new ATOM 0 HG22 ILE A 22 4.296 -0.865 -0.719 1.00 0.75 H new ATOM 0 HG23 ILE A 22 4.328 -0.720 1.054 1.00 0.75 H new ATOM 0 HD11 ILE A 22 5.380 3.112 2.190 1.00 0.70 H new ATOM 0 HD12 ILE A 22 5.079 3.070 0.437 1.00 0.70 H new ATOM 0 HD13 ILE A 22 4.129 2.033 1.528 1.00 0.70 H new ATOM 324 N GLU A 23 6.945 -1.327 -2.255 1.00 0.44 N ATOM 325 CA GLU A 23 6.552 -2.083 -3.426 1.00 0.51 C ATOM 326 C GLU A 23 7.055 -3.526 -3.337 1.00 0.57 C ATOM 327 O GLU A 23 6.248 -4.454 -3.418 1.00 0.62 O ATOM 328 CB GLU A 23 6.971 -1.350 -4.708 1.00 0.66 C ATOM 329 CG GLU A 23 6.178 -0.039 -4.833 1.00 1.34 C ATOM 330 CD GLU A 23 6.476 0.736 -6.111 1.00 1.64 C ATOM 331 OE1 GLU A 23 7.510 0.432 -6.742 1.00 2.01 O ATOM 332 OE2 GLU A 23 5.653 1.625 -6.434 1.00 2.63 O ATOM 0 H GLU A 23 7.447 -0.462 -2.457 1.00 0.44 H new ATOM 0 HA GLU A 23 5.465 -2.154 -3.465 1.00 0.51 H new ATOM 0 HB2 GLU A 23 8.040 -1.140 -4.686 1.00 0.66 H new ATOM 0 HB3 GLU A 23 6.788 -1.982 -5.577 1.00 0.66 H new ATOM 0 HG2 GLU A 23 5.112 -0.264 -4.795 1.00 1.34 H new ATOM 0 HG3 GLU A 23 6.401 0.594 -3.974 1.00 1.34 H new ATOM 339 N SER A 24 8.357 -3.706 -3.091 1.00 0.61 N ATOM 340 CA SER A 24 8.963 -5.025 -2.964 1.00 0.71 C ATOM 341 C SER A 24 8.371 -5.805 -1.788 1.00 0.73 C ATOM 342 O SER A 24 8.109 -6.999 -1.898 1.00 0.86 O ATOM 343 CB SER A 24 10.482 -4.905 -2.805 1.00 0.83 C ATOM 344 OG SER A 24 11.020 -4.043 -3.786 1.00 2.39 O ATOM 0 H SER A 24 9.017 -2.937 -2.975 1.00 0.61 H new ATOM 0 HA SER A 24 8.743 -5.577 -3.878 1.00 0.71 H new ATOM 0 HB2 SER A 24 10.720 -4.526 -1.811 1.00 0.83 H new ATOM 0 HB3 SER A 24 10.940 -5.890 -2.889 1.00 0.83 H new ATOM 0 HG SER A 24 10.944 -3.114 -3.482 1.00 2.39 H new ATOM 350 N SER A 25 8.198 -5.150 -0.635 1.00 0.68 N ATOM 351 CA SER A 25 7.681 -5.825 0.548 1.00 0.75 C ATOM 352 C SER A 25 6.240 -6.294 0.326 1.00 0.73 C ATOM 353 O SER A 25 5.842 -7.342 0.828 1.00 0.79 O ATOM 354 CB SER A 25 7.821 -4.910 1.767 1.00 0.79 C ATOM 355 OG SER A 25 7.536 -5.624 2.953 1.00 1.00 O ATOM 0 H SER A 25 8.408 -4.161 -0.501 1.00 0.68 H new ATOM 0 HA SER A 25 8.269 -6.723 0.739 1.00 0.75 H new ATOM 0 HB2 SER A 25 8.832 -4.506 1.812 1.00 0.79 H new ATOM 0 HB3 SER A 25 7.143 -4.062 1.673 1.00 0.79 H new ATOM 0 HG SER A 25 8.054 -5.247 3.694 1.00 1.00 H new ATOM 361 N LEU A 26 5.446 -5.527 -0.421 1.00 0.73 N ATOM 362 CA LEU A 26 4.071 -5.880 -0.736 1.00 0.78 C ATOM 363 C LEU A 26 4.006 -7.058 -1.712 1.00 0.82 C ATOM 364 O LEU A 26 3.248 -7.997 -1.453 1.00 0.89 O ATOM 365 CB LEU A 26 3.316 -4.642 -1.240 1.00 0.74 C ATOM 366 CG LEU A 26 2.719 -3.766 -0.116 1.00 0.80 C ATOM 367 CD1 LEU A 26 1.350 -4.283 0.334 1.00 1.70 C ATOM 368 CD2 LEU A 26 3.593 -3.625 1.141 1.00 1.54 C ATOM 0 H LEU A 26 5.745 -4.639 -0.825 1.00 0.73 H new ATOM 0 HA LEU A 26 3.572 -6.219 0.172 1.00 0.78 H new ATOM 0 HB2 LEU A 26 3.995 -4.034 -1.838 1.00 0.74 H new ATOM 0 HB3 LEU A 26 2.511 -4.964 -1.901 1.00 0.74 H new ATOM 0 HG LEU A 26 2.646 -2.783 -0.581 1.00 0.80 H new ATOM 0 HD11 LEU A 26 0.961 -3.642 1.125 1.00 1.70 H new ATOM 0 HD12 LEU A 26 0.662 -4.274 -0.511 1.00 1.70 H new ATOM 0 HD13 LEU A 26 1.451 -5.302 0.709 1.00 1.70 H new ATOM 0 HD21 LEU A 26 3.085 -2.992 1.868 1.00 1.54 H new ATOM 0 HD22 LEU A 26 3.767 -4.609 1.576 1.00 1.54 H new ATOM 0 HD23 LEU A 26 4.548 -3.174 0.871 1.00 1.54 H new ATOM 380 N THR A 27 4.769 -7.031 -2.816 1.00 0.82 N ATOM 381 CA THR A 27 4.724 -8.060 -3.860 1.00 0.91 C ATOM 382 C THR A 27 5.267 -9.413 -3.380 1.00 1.15 C ATOM 383 O THR A 27 6.332 -9.870 -3.788 1.00 1.84 O ATOM 384 CB THR A 27 5.431 -7.561 -5.128 1.00 1.03 C ATOM 385 OG1 THR A 27 6.607 -6.865 -4.779 1.00 1.73 O ATOM 386 CG2 THR A 27 4.500 -6.618 -5.892 1.00 1.13 C ATOM 0 H THR A 27 5.439 -6.287 -3.008 1.00 0.82 H new ATOM 0 HA THR A 27 3.677 -8.240 -4.106 1.00 0.91 H new ATOM 0 HB THR A 27 5.687 -8.416 -5.753 1.00 1.03 H new ATOM 0 HG1 THR A 27 6.373 -5.976 -4.441 1.00 1.73 H new ATOM 0 HG21 THR A 27 5.001 -6.263 -6.793 1.00 1.13 H new ATOM 0 HG22 THR A 27 3.590 -7.150 -6.169 1.00 1.13 H new ATOM 0 HG23 THR A 27 4.245 -5.768 -5.260 1.00 1.13 H new ATOM 394 N LYS A 28 4.474 -10.073 -2.537 1.00 1.18 N ATOM 395 CA LYS A 28 4.737 -11.361 -1.915 1.00 1.32 C ATOM 396 C LYS A 28 3.492 -11.860 -1.177 1.00 1.07 C ATOM 397 O LYS A 28 3.216 -13.058 -1.201 1.00 1.16 O ATOM 398 CB LYS A 28 5.971 -11.309 -0.994 1.00 1.66 C ATOM 399 CG LYS A 28 5.885 -10.256 0.121 1.00 1.74 C ATOM 400 CD LYS A 28 5.505 -10.858 1.483 1.00 2.43 C ATOM 401 CE LYS A 28 5.350 -9.729 2.513 1.00 3.13 C ATOM 402 NZ LYS A 28 5.020 -10.229 3.862 1.00 4.18 N ATOM 0 H LYS A 28 3.571 -9.692 -2.254 1.00 1.18 H new ATOM 0 HA LYS A 28 4.970 -12.078 -2.703 1.00 1.32 H new ATOM 0 HB2 LYS A 28 6.113 -12.290 -0.541 1.00 1.66 H new ATOM 0 HB3 LYS A 28 6.854 -11.107 -1.600 1.00 1.66 H new ATOM 0 HG2 LYS A 28 6.845 -9.748 0.209 1.00 1.74 H new ATOM 0 HG3 LYS A 28 5.149 -9.501 -0.155 1.00 1.74 H new ATOM 0 HD2 LYS A 28 4.574 -11.419 1.398 1.00 2.43 H new ATOM 0 HD3 LYS A 28 6.272 -11.561 1.809 1.00 2.43 H new ATOM 0 HE2 LYS A 28 6.276 -9.155 2.559 1.00 3.13 H new ATOM 0 HE3 LYS A 28 4.568 -9.046 2.182 1.00 3.13 H new ATOM 0 HZ1 LYS A 28 4.927 -9.426 4.517 1.00 4.18 H new ATOM 0 HZ2 LYS A 28 4.123 -10.754 3.828 1.00 4.18 H new ATOM 0 HZ3 LYS A 28 5.778 -10.860 4.193 1.00 4.18 H new ATOM 416 N HIS A 29 2.736 -10.978 -0.504 1.00 0.91 N ATOM 417 CA HIS A 29 1.532 -11.432 0.177 1.00 0.96 C ATOM 418 C HIS A 29 0.464 -11.795 -0.858 1.00 0.84 C ATOM 419 O HIS A 29 0.195 -11.022 -1.780 1.00 1.25 O ATOM 420 CB HIS A 29 1.040 -10.419 1.220 1.00 1.20 C ATOM 421 CG HIS A 29 0.279 -9.232 0.686 1.00 0.98 C ATOM 422 ND1 HIS A 29 -1.063 -9.211 0.369 1.00 1.72 N ATOM 423 CD2 HIS A 29 0.739 -7.946 0.623 1.00 1.14 C ATOM 424 CE1 HIS A 29 -1.399 -7.934 0.122 1.00 2.45 C ATOM 425 NE2 HIS A 29 -0.336 -7.126 0.265 1.00 2.10 N ATOM 0 H HIS A 29 2.934 -9.981 -0.422 1.00 0.91 H new ATOM 0 HA HIS A 29 1.766 -12.332 0.746 1.00 0.96 H new ATOM 0 HB2 HIS A 29 0.403 -10.943 1.932 1.00 1.20 H new ATOM 0 HB3 HIS A 29 1.903 -10.051 1.775 1.00 1.20 H new ATOM 0 HD1 HIS A 29 -1.686 -10.017 0.329 1.00 1.72 H new ATOM 0 HD2 HIS A 29 1.751 -7.622 0.815 1.00 1.14 H new ATOM 0 HE1 HIS A 29 -2.389 -7.602 -0.154 1.00 2.45 H new ATOM 433 N ARG A 30 -0.159 -12.966 -0.701 1.00 0.87 N ATOM 434 CA ARG A 30 -1.313 -13.320 -1.512 1.00 1.04 C ATOM 435 C ARG A 30 -2.380 -12.233 -1.381 1.00 1.20 C ATOM 436 O ARG A 30 -2.462 -11.545 -0.362 1.00 2.49 O ATOM 437 CB ARG A 30 -1.861 -14.698 -1.118 1.00 1.37 C ATOM 438 CG ARG A 30 -1.009 -15.815 -1.733 1.00 2.05 C ATOM 439 CD ARG A 30 -1.569 -17.194 -1.356 1.00 2.57 C ATOM 440 NE ARG A 30 -1.084 -18.253 -2.259 1.00 3.73 N ATOM 441 CZ ARG A 30 0.145 -18.795 -2.256 1.00 4.74 C ATOM 442 NH1 ARG A 30 1.058 -18.371 -1.376 1.00 5.25 N ATOM 443 NH2 ARG A 30 0.454 -19.754 -3.137 1.00 6.07 N ATOM 0 H ARG A 30 0.118 -13.676 -0.023 1.00 0.87 H new ATOM 0 HA ARG A 30 -1.009 -13.385 -2.557 1.00 1.04 H new ATOM 0 HB2 ARG A 30 -1.869 -14.795 -0.032 1.00 1.37 H new ATOM 0 HB3 ARG A 30 -2.893 -14.794 -1.454 1.00 1.37 H new ATOM 0 HG2 ARG A 30 -0.989 -15.709 -2.818 1.00 2.05 H new ATOM 0 HG3 ARG A 30 0.020 -15.727 -1.385 1.00 2.05 H new ATOM 0 HD2 ARG A 30 -1.284 -17.433 -0.331 1.00 2.57 H new ATOM 0 HD3 ARG A 30 -2.658 -17.163 -1.385 1.00 2.57 H new ATOM 0 HE ARG A 30 -1.744 -18.608 -2.951 1.00 3.73 H new ATOM 0 HH11 ARG A 30 0.821 -17.637 -0.708 1.00 5.25 H new ATOM 0 HH12 ARG A 30 1.992 -18.781 -1.372 1.00 5.25 H new ATOM 0 HH21 ARG A 30 -0.243 -20.072 -3.810 1.00 6.07 H new ATOM 0 HH22 ARG A 30 1.387 -20.166 -3.136 1.00 6.07 H new ATOM 457 N GLY A 31 -3.158 -12.052 -2.446 1.00 0.85 N ATOM 458 CA GLY A 31 -4.119 -10.975 -2.555 1.00 0.87 C ATOM 459 C GLY A 31 -3.565 -9.856 -3.417 1.00 0.78 C ATOM 460 O GLY A 31 -4.312 -9.287 -4.205 1.00 1.02 O ATOM 0 H GLY A 31 -3.133 -12.661 -3.264 1.00 0.85 H new ATOM 0 HA2 GLY A 31 -5.047 -11.350 -2.987 1.00 0.87 H new ATOM 0 HA3 GLY A 31 -4.360 -10.593 -1.563 1.00 0.87 H new ATOM 464 N ILE A 32 -2.275 -9.519 -3.296 1.00 0.74 N ATOM 465 CA ILE A 32 -1.769 -8.351 -3.992 1.00 0.67 C ATOM 466 C ILE A 32 -1.583 -8.687 -5.470 1.00 0.76 C ATOM 467 O ILE A 32 -0.728 -9.488 -5.842 1.00 1.06 O ATOM 468 CB ILE A 32 -0.518 -7.788 -3.285 1.00 0.71 C ATOM 469 CG1 ILE A 32 -0.690 -6.285 -3.037 1.00 0.88 C ATOM 470 CG2 ILE A 32 0.827 -8.059 -3.959 1.00 1.12 C ATOM 471 CD1 ILE A 32 -0.683 -5.446 -4.315 1.00 1.92 C ATOM 0 H ILE A 32 -1.588 -10.027 -2.738 1.00 0.74 H new ATOM 0 HA ILE A 32 -2.490 -7.535 -3.955 1.00 0.67 H new ATOM 0 HB ILE A 32 -0.464 -8.344 -2.349 1.00 0.71 H new ATOM 0 HG12 ILE A 32 -1.629 -6.118 -2.509 1.00 0.88 H new ATOM 0 HG13 ILE A 32 0.110 -5.940 -2.382 1.00 0.88 H new ATOM 0 HG21 ILE A 32 1.627 -7.614 -3.367 1.00 1.12 H new ATOM 0 HG22 ILE A 32 0.986 -9.135 -4.033 1.00 1.12 H new ATOM 0 HG23 ILE A 32 0.828 -7.622 -4.958 1.00 1.12 H new ATOM 0 HD11 ILE A 32 -0.809 -4.394 -4.060 1.00 1.92 H new ATOM 0 HD12 ILE A 32 0.266 -5.582 -4.834 1.00 1.92 H new ATOM 0 HD13 ILE A 32 -1.500 -5.763 -4.963 1.00 1.92 H new ATOM 483 N LEU A 33 -2.412 -8.075 -6.313 1.00 0.64 N ATOM 484 CA LEU A 33 -2.295 -8.182 -7.751 1.00 0.78 C ATOM 485 C LEU A 33 -1.198 -7.228 -8.226 1.00 0.73 C ATOM 486 O LEU A 33 -0.351 -7.617 -9.026 1.00 0.81 O ATOM 487 CB LEU A 33 -3.648 -7.877 -8.409 1.00 0.99 C ATOM 488 CG LEU A 33 -4.813 -8.740 -7.892 1.00 1.20 C ATOM 489 CD1 LEU A 33 -6.099 -8.317 -8.611 1.00 2.04 C ATOM 490 CD2 LEU A 33 -4.565 -10.237 -8.116 1.00 1.97 C ATOM 0 H LEU A 33 -3.188 -7.488 -6.007 1.00 0.64 H new ATOM 0 HA LEU A 33 -2.018 -9.196 -8.039 1.00 0.78 H new ATOM 0 HB2 LEU A 33 -3.889 -6.827 -8.246 1.00 0.99 H new ATOM 0 HB3 LEU A 33 -3.556 -8.020 -9.486 1.00 0.99 H new ATOM 0 HG LEU A 33 -4.903 -8.582 -6.817 1.00 1.20 H new ATOM 0 HD11 LEU A 33 -6.932 -8.922 -8.253 1.00 2.04 H new ATOM 0 HD12 LEU A 33 -6.300 -7.265 -8.408 1.00 2.04 H new ATOM 0 HD13 LEU A 33 -5.980 -8.463 -9.685 1.00 2.04 H new ATOM 0 HD21 LEU A 33 -5.413 -10.807 -7.736 1.00 1.97 H new ATOM 0 HD22 LEU A 33 -4.446 -10.431 -9.182 1.00 1.97 H new ATOM 0 HD23 LEU A 33 -3.660 -10.539 -7.589 1.00 1.97 H new ATOM 502 N TYR A 34 -1.204 -5.973 -7.751 1.00 0.66 N ATOM 503 CA TYR A 34 -0.199 -4.991 -8.129 1.00 0.70 C ATOM 504 C TYR A 34 -0.125 -3.913 -7.053 1.00 0.61 C ATOM 505 O TYR A 34 -1.157 -3.371 -6.665 1.00 0.86 O ATOM 506 CB TYR A 34 -0.571 -4.394 -9.491 1.00 0.83 C ATOM 507 CG TYR A 34 0.317 -3.256 -9.952 1.00 0.98 C ATOM 508 CD1 TYR A 34 -0.011 -1.931 -9.615 1.00 2.05 C ATOM 509 CD2 TYR A 34 1.455 -3.516 -10.737 1.00 1.71 C ATOM 510 CE1 TYR A 34 0.736 -0.866 -10.139 1.00 2.28 C ATOM 511 CE2 TYR A 34 2.245 -2.451 -11.204 1.00 1.83 C ATOM 512 CZ TYR A 34 1.888 -1.126 -10.898 1.00 1.53 C ATOM 513 OH TYR A 34 2.630 -0.083 -11.365 1.00 1.87 O ATOM 0 H TYR A 34 -1.905 -5.621 -7.099 1.00 0.66 H new ATOM 0 HA TYR A 34 0.782 -5.458 -8.214 1.00 0.70 H new ATOM 0 HB2 TYR A 34 -0.540 -5.186 -10.239 1.00 0.83 H new ATOM 0 HB3 TYR A 34 -1.600 -4.038 -9.446 1.00 0.83 H new ATOM 0 HD1 TYR A 34 -0.840 -1.733 -8.951 1.00 2.05 H new ATOM 0 HD2 TYR A 34 1.722 -4.534 -10.981 1.00 1.71 H new ATOM 0 HE1 TYR A 34 0.425 0.153 -9.959 1.00 2.28 H new ATOM 0 HE2 TYR A 34 3.125 -2.650 -11.797 1.00 1.83 H new ATOM 0 HH TYR A 34 3.395 -0.427 -11.871 1.00 1.87 H new ATOM 523 N CYS A 35 1.075 -3.579 -6.585 1.00 0.52 N ATOM 524 CA CYS A 35 1.323 -2.374 -5.801 1.00 0.49 C ATOM 525 C CYS A 35 1.845 -1.299 -6.742 1.00 0.55 C ATOM 526 O CYS A 35 2.508 -1.617 -7.729 1.00 0.90 O ATOM 527 CB CYS A 35 2.381 -2.622 -4.715 1.00 0.65 C ATOM 528 SG CYS A 35 3.941 -3.122 -5.485 1.00 2.76 S ATOM 0 H CYS A 35 1.910 -4.143 -6.741 1.00 0.52 H new ATOM 0 HA CYS A 35 0.394 -2.072 -5.317 1.00 0.49 H new ATOM 0 HB2 CYS A 35 2.529 -1.718 -4.125 1.00 0.65 H new ATOM 0 HB3 CYS A 35 2.038 -3.397 -4.030 1.00 0.65 H new ATOM 0 HG CYS A 35 3.962 -2.722 -6.722 1.00 2.76 H new ATOM 534 N SER A 36 1.610 -0.030 -6.412 1.00 0.54 N ATOM 535 CA SER A 36 2.644 0.970 -6.627 1.00 0.84 C ATOM 536 C SER A 36 2.414 2.131 -5.670 1.00 0.69 C ATOM 537 O SER A 36 1.272 2.380 -5.274 1.00 0.95 O ATOM 538 CB SER A 36 2.750 1.427 -8.086 1.00 1.25 C ATOM 539 OG SER A 36 3.816 2.347 -8.235 1.00 2.35 O ATOM 0 H SER A 36 0.741 0.319 -6.008 1.00 0.54 H new ATOM 0 HA SER A 36 3.611 0.515 -6.413 1.00 0.84 H new ATOM 0 HB2 SER A 36 2.911 0.565 -8.734 1.00 1.25 H new ATOM 0 HB3 SER A 36 1.814 1.890 -8.398 1.00 1.25 H new ATOM 0 HG SER A 36 4.632 1.967 -7.848 1.00 2.35 H new ATOM 545 N VAL A 37 3.491 2.811 -5.273 1.00 0.62 N ATOM 546 CA VAL A 37 3.440 3.943 -4.367 1.00 0.63 C ATOM 547 C VAL A 37 4.170 5.138 -4.981 1.00 0.72 C ATOM 548 O VAL A 37 5.174 4.969 -5.668 1.00 0.88 O ATOM 549 CB VAL A 37 3.984 3.517 -2.990 1.00 0.79 C ATOM 550 CG1 VAL A 37 3.492 2.127 -2.569 1.00 1.91 C ATOM 551 CG2 VAL A 37 5.504 3.411 -2.970 1.00 1.35 C ATOM 0 H VAL A 37 4.436 2.581 -5.581 1.00 0.62 H new ATOM 0 HA VAL A 37 2.412 4.270 -4.210 1.00 0.63 H new ATOM 0 HB VAL A 37 3.624 4.295 -2.316 1.00 0.79 H new ATOM 0 HG11 VAL A 37 3.905 1.876 -1.592 1.00 1.91 H new ATOM 0 HG12 VAL A 37 2.403 2.128 -2.514 1.00 1.91 H new ATOM 0 HG13 VAL A 37 3.818 1.388 -3.301 1.00 1.91 H new ATOM 0 HG21 VAL A 37 5.835 3.108 -1.977 1.00 1.35 H new ATOM 0 HG22 VAL A 37 5.827 2.670 -3.702 1.00 1.35 H new ATOM 0 HG23 VAL A 37 5.940 4.379 -3.217 1.00 1.35 H new ATOM 561 N ALA A 38 3.657 6.351 -4.750 1.00 0.76 N ATOM 562 CA ALA A 38 4.237 7.582 -5.267 1.00 0.86 C ATOM 563 C ALA A 38 4.322 8.634 -4.171 1.00 0.91 C ATOM 564 O ALA A 38 3.356 8.882 -3.448 1.00 0.89 O ATOM 565 CB ALA A 38 3.430 8.127 -6.439 1.00 0.91 C ATOM 0 H ALA A 38 2.817 6.501 -4.191 1.00 0.76 H new ATOM 0 HA ALA A 38 5.241 7.348 -5.620 1.00 0.86 H new ATOM 0 HB1 ALA A 38 3.890 9.046 -6.801 1.00 0.91 H new ATOM 0 HB2 ALA A 38 3.411 7.390 -7.242 1.00 0.91 H new ATOM 0 HB3 ALA A 38 2.411 8.335 -6.113 1.00 0.91 H new ATOM 571 N LEU A 39 5.495 9.258 -4.074 1.00 0.98 N ATOM 572 CA LEU A 39 5.818 10.216 -3.026 1.00 1.04 C ATOM 573 C LEU A 39 5.180 11.578 -3.289 1.00 1.06 C ATOM 574 O LEU A 39 4.864 12.293 -2.344 1.00 1.05 O ATOM 575 CB LEU A 39 7.331 10.274 -2.783 1.00 1.21 C ATOM 576 CG LEU A 39 8.178 10.779 -3.963 1.00 1.42 C ATOM 577 CD1 LEU A 39 8.395 12.295 -3.883 1.00 2.47 C ATOM 578 CD2 LEU A 39 9.545 10.090 -3.909 1.00 1.61 C ATOM 0 H LEU A 39 6.258 9.107 -4.734 1.00 0.98 H new ATOM 0 HA LEU A 39 5.376 9.870 -2.092 1.00 1.04 H new ATOM 0 HB2 LEU A 39 7.518 10.918 -1.924 1.00 1.21 H new ATOM 0 HB3 LEU A 39 7.676 9.276 -2.514 1.00 1.21 H new ATOM 0 HG LEU A 39 7.654 10.551 -4.891 1.00 1.42 H new ATOM 0 HD11 LEU A 39 8.997 12.622 -4.731 1.00 2.47 H new ATOM 0 HD12 LEU A 39 7.431 12.802 -3.906 1.00 2.47 H new ATOM 0 HD13 LEU A 39 8.912 12.540 -2.955 1.00 2.47 H new ATOM 0 HD21 LEU A 39 10.160 10.436 -4.740 1.00 1.61 H new ATOM 0 HD22 LEU A 39 10.037 10.332 -2.967 1.00 1.61 H new ATOM 0 HD23 LEU A 39 9.412 9.011 -3.982 1.00 1.61 H new ATOM 590 N ALA A 40 4.927 11.917 -4.559 1.00 1.13 N ATOM 591 CA ALA A 40 4.332 13.188 -4.966 1.00 1.25 C ATOM 592 C ALA A 40 3.106 13.556 -4.122 1.00 1.19 C ATOM 593 O ALA A 40 2.965 14.698 -3.695 1.00 1.28 O ATOM 594 CB ALA A 40 3.969 13.125 -6.452 1.00 1.42 C ATOM 0 H ALA A 40 5.136 11.301 -5.345 1.00 1.13 H new ATOM 0 HA ALA A 40 5.069 13.974 -4.800 1.00 1.25 H new ATOM 0 HB1 ALA A 40 3.525 14.072 -6.758 1.00 1.42 H new ATOM 0 HB2 ALA A 40 4.869 12.939 -7.039 1.00 1.42 H new ATOM 0 HB3 ALA A 40 3.255 12.319 -6.618 1.00 1.42 H new ATOM 600 N THR A 41 2.226 12.580 -3.883 1.00 1.12 N ATOM 601 CA THR A 41 1.056 12.710 -3.019 1.00 1.14 C ATOM 602 C THR A 41 1.148 11.747 -1.824 1.00 0.99 C ATOM 603 O THR A 41 0.145 11.467 -1.172 1.00 1.08 O ATOM 604 CB THR A 41 -0.197 12.455 -3.871 1.00 1.37 C ATOM 605 OG1 THR A 41 0.064 11.454 -4.838 1.00 1.93 O ATOM 606 CG2 THR A 41 -0.624 13.729 -4.606 1.00 2.69 C ATOM 0 H THR A 41 2.313 11.652 -4.298 1.00 1.12 H new ATOM 0 HA THR A 41 1.004 13.714 -2.599 1.00 1.14 H new ATOM 0 HB THR A 41 -0.993 12.134 -3.199 1.00 1.37 H new ATOM 0 HG1 THR A 41 -0.489 11.613 -5.631 1.00 1.93 H new ATOM 0 HG21 THR A 41 -1.513 13.524 -5.203 1.00 2.69 H new ATOM 0 HG22 THR A 41 -0.847 14.511 -3.880 1.00 2.69 H new ATOM 0 HG23 THR A 41 0.183 14.060 -5.259 1.00 2.69 H new ATOM 614 N ASN A 42 2.359 11.257 -1.536 1.00 0.91 N ATOM 615 CA ASN A 42 2.684 10.235 -0.544 1.00 0.77 C ATOM 616 C ASN A 42 1.587 9.174 -0.437 1.00 0.75 C ATOM 617 O ASN A 42 1.070 8.915 0.651 1.00 0.76 O ATOM 618 CB ASN A 42 3.051 10.866 0.809 1.00 0.73 C ATOM 619 CG ASN A 42 4.251 11.809 0.697 1.00 0.89 C ATOM 620 OD1 ASN A 42 5.404 11.384 0.704 1.00 1.92 O ATOM 621 ND2 ASN A 42 3.995 13.110 0.593 1.00 2.42 N ATOM 0 H ASN A 42 3.191 11.588 -2.024 1.00 0.91 H new ATOM 0 HA ASN A 42 3.573 9.707 -0.888 1.00 0.77 H new ATOM 0 HB2 ASN A 42 2.193 11.416 1.197 1.00 0.73 H new ATOM 0 HB3 ASN A 42 3.276 10.078 1.527 1.00 0.73 H new ATOM 0 HD21 ASN A 42 4.763 13.776 0.517 1.00 2.42 H new ATOM 0 HD22 ASN A 42 3.030 13.441 0.589 1.00 2.42 H new ATOM 628 N LYS A 43 1.241 8.554 -1.572 1.00 0.78 N ATOM 629 CA LYS A 43 0.184 7.558 -1.655 1.00 0.72 C ATOM 630 C LYS A 43 0.789 6.199 -1.970 1.00 0.72 C ATOM 631 O LYS A 43 1.790 6.117 -2.679 1.00 0.87 O ATOM 632 CB LYS A 43 -0.883 7.950 -2.691 1.00 0.81 C ATOM 633 CG LYS A 43 -0.355 8.091 -4.129 1.00 1.53 C ATOM 634 CD LYS A 43 -1.481 7.999 -5.172 1.00 1.34 C ATOM 635 CE LYS A 43 -2.557 9.081 -4.995 1.00 1.37 C ATOM 636 NZ LYS A 43 -3.603 8.981 -6.029 1.00 1.66 N ATOM 0 H LYS A 43 1.697 8.737 -2.466 1.00 0.78 H new ATOM 0 HA LYS A 43 -0.320 7.504 -0.690 1.00 0.72 H new ATOM 0 HB2 LYS A 43 -1.674 7.201 -2.680 1.00 0.81 H new ATOM 0 HB3 LYS A 43 -1.335 8.895 -2.389 1.00 0.81 H new ATOM 0 HG2 LYS A 43 0.158 9.047 -4.234 1.00 1.53 H new ATOM 0 HG3 LYS A 43 0.382 7.311 -4.322 1.00 1.53 H new ATOM 0 HD2 LYS A 43 -1.051 8.083 -6.170 1.00 1.34 H new ATOM 0 HD3 LYS A 43 -1.948 7.016 -5.107 1.00 1.34 H new ATOM 0 HE2 LYS A 43 -3.010 8.986 -4.008 1.00 1.37 H new ATOM 0 HE3 LYS A 43 -2.094 10.067 -5.040 1.00 1.37 H new ATOM 0 HZ1 LYS A 43 -4.471 9.444 -5.691 1.00 1.66 H new ATOM 0 HZ2 LYS A 43 -3.277 9.449 -6.899 1.00 1.66 H new ATOM 0 HZ3 LYS A 43 -3.800 7.979 -6.228 1.00 1.66 H new ATOM 650 N ALA A 44 0.156 5.141 -1.471 1.00 0.70 N ATOM 651 CA ALA A 44 0.392 3.772 -1.874 1.00 0.78 C ATOM 652 C ALA A 44 -0.940 3.239 -2.367 1.00 0.87 C ATOM 653 O ALA A 44 -1.912 3.339 -1.619 1.00 1.00 O ATOM 654 CB ALA A 44 0.899 2.967 -0.675 1.00 0.90 C ATOM 0 H ALA A 44 -0.560 5.224 -0.749 1.00 0.70 H new ATOM 0 HA ALA A 44 1.146 3.699 -2.657 1.00 0.78 H new ATOM 0 HB1 ALA A 44 1.077 1.935 -0.978 1.00 0.90 H new ATOM 0 HB2 ALA A 44 1.829 3.404 -0.311 1.00 0.90 H new ATOM 0 HB3 ALA A 44 0.153 2.988 0.119 1.00 0.90 H new ATOM 660 N HIS A 45 -1.012 2.701 -3.592 1.00 0.89 N ATOM 661 CA HIS A 45 -2.181 1.977 -4.029 1.00 1.05 C ATOM 662 C HIS A 45 -1.808 0.507 -4.066 1.00 0.85 C ATOM 663 O HIS A 45 -0.758 0.135 -4.598 1.00 0.87 O ATOM 664 CB HIS A 45 -2.751 2.541 -5.333 1.00 1.32 C ATOM 665 CG HIS A 45 -2.081 2.113 -6.608 1.00 1.23 C ATOM 666 ND1 HIS A 45 -1.658 2.962 -7.603 1.00 1.89 N ATOM 667 CD2 HIS A 45 -2.111 0.847 -7.129 1.00 1.45 C ATOM 668 CE1 HIS A 45 -1.423 2.216 -8.694 1.00 2.65 C ATOM 669 NE2 HIS A 45 -1.694 0.919 -8.461 1.00 2.44 N ATOM 0 H HIS A 45 -0.268 2.761 -4.287 1.00 0.89 H new ATOM 0 HA HIS A 45 -3.011 2.097 -3.333 1.00 1.05 H new ATOM 0 HB2 HIS A 45 -3.803 2.262 -5.392 1.00 1.32 H new ATOM 0 HB3 HIS A 45 -2.712 3.629 -5.278 1.00 1.32 H new ATOM 0 HD1 HIS A 45 -1.544 3.973 -7.526 1.00 1.89 H new ATOM 0 HD2 HIS A 45 -2.405 -0.049 -6.603 1.00 1.45 H new ATOM 0 HE1 HIS A 45 -1.064 2.606 -9.635 1.00 2.65 H new ATOM 677 N ILE A 46 -2.649 -0.309 -3.439 1.00 0.80 N ATOM 678 CA ILE A 46 -2.458 -1.739 -3.330 1.00 0.75 C ATOM 679 C ILE A 46 -3.675 -2.345 -4.019 1.00 0.79 C ATOM 680 O ILE A 46 -4.795 -2.226 -3.522 1.00 1.21 O ATOM 681 CB ILE A 46 -2.336 -2.133 -1.845 1.00 0.87 C ATOM 682 CG1 ILE A 46 -1.017 -1.679 -1.192 1.00 0.86 C ATOM 683 CG2 ILE A 46 -2.336 -3.654 -1.670 1.00 1.11 C ATOM 684 CD1 ILE A 46 -0.845 -0.172 -1.002 1.00 1.04 C ATOM 0 H ILE A 46 -3.501 0.020 -2.984 1.00 0.80 H new ATOM 0 HA ILE A 46 -1.542 -2.099 -3.799 1.00 0.75 H new ATOM 0 HB ILE A 46 -3.191 -1.645 -1.377 1.00 0.87 H new ATOM 0 HG12 ILE A 46 -0.933 -2.160 -0.217 1.00 0.86 H new ATOM 0 HG13 ILE A 46 -0.189 -2.045 -1.800 1.00 0.86 H new ATOM 0 HG21 ILE A 46 -2.249 -3.898 -0.611 1.00 1.11 H new ATOM 0 HG22 ILE A 46 -3.266 -4.065 -2.062 1.00 1.11 H new ATOM 0 HG23 ILE A 46 -1.493 -4.083 -2.212 1.00 1.11 H new ATOM 0 HD11 ILE A 46 0.119 0.028 -0.534 1.00 1.04 H new ATOM 0 HD12 ILE A 46 -0.888 0.324 -1.972 1.00 1.04 H new ATOM 0 HD13 ILE A 46 -1.643 0.208 -0.364 1.00 1.04 H new ATOM 696 N LYS A 47 -3.473 -2.974 -5.177 1.00 0.50 N ATOM 697 CA LYS A 47 -4.539 -3.656 -5.877 1.00 0.51 C ATOM 698 C LYS A 47 -4.684 -5.047 -5.259 1.00 0.48 C ATOM 699 O LYS A 47 -4.271 -6.037 -5.859 1.00 0.81 O ATOM 700 CB LYS A 47 -4.251 -3.677 -7.386 1.00 0.57 C ATOM 701 CG LYS A 47 -3.982 -2.274 -7.969 1.00 0.63 C ATOM 702 CD LYS A 47 -4.261 -2.334 -9.484 1.00 0.78 C ATOM 703 CE LYS A 47 -4.192 -0.984 -10.214 1.00 1.83 C ATOM 704 NZ LYS A 47 -2.811 -0.516 -10.440 1.00 3.76 N ATOM 0 H LYS A 47 -2.568 -3.020 -5.646 1.00 0.50 H new ATOM 0 HA LYS A 47 -5.492 -3.137 -5.769 1.00 0.51 H new ATOM 0 HB2 LYS A 47 -3.388 -4.315 -7.577 1.00 0.57 H new ATOM 0 HB3 LYS A 47 -5.099 -4.124 -7.906 1.00 0.57 H new ATOM 0 HG2 LYS A 47 -4.622 -1.532 -7.491 1.00 0.63 H new ATOM 0 HG3 LYS A 47 -2.951 -1.973 -7.782 1.00 0.63 H new ATOM 0 HD2 LYS A 47 -3.544 -3.015 -9.943 1.00 0.78 H new ATOM 0 HD3 LYS A 47 -5.251 -2.763 -9.639 1.00 0.78 H new ATOM 0 HE2 LYS A 47 -4.701 -1.071 -11.174 1.00 1.83 H new ATOM 0 HE3 LYS A 47 -4.732 -0.236 -9.633 1.00 1.83 H new ATOM 0 HZ1 LYS A 47 -2.739 -0.090 -11.386 1.00 3.76 H new ATOM 0 HZ2 LYS A 47 -2.563 0.193 -9.721 1.00 3.76 H new ATOM 0 HZ3 LYS A 47 -2.156 -1.321 -10.372 1.00 3.76 H new ATOM 718 N TYR A 48 -5.187 -5.109 -4.022 1.00 1.02 N ATOM 719 CA TYR A 48 -5.438 -6.366 -3.330 1.00 0.89 C ATOM 720 C TYR A 48 -6.820 -6.934 -3.658 1.00 0.87 C ATOM 721 O TYR A 48 -7.794 -6.187 -3.720 1.00 1.24 O ATOM 722 CB TYR A 48 -5.235 -6.247 -1.815 1.00 0.95 C ATOM 723 CG TYR A 48 -6.195 -5.328 -1.078 1.00 1.12 C ATOM 724 CD1 TYR A 48 -5.880 -3.970 -0.893 1.00 2.34 C ATOM 725 CD2 TYR A 48 -7.356 -5.856 -0.483 1.00 1.89 C ATOM 726 CE1 TYR A 48 -6.697 -3.155 -0.093 1.00 2.54 C ATOM 727 CE2 TYR A 48 -8.183 -5.036 0.303 1.00 1.95 C ATOM 728 CZ TYR A 48 -7.849 -3.689 0.504 1.00 1.56 C ATOM 729 OH TYR A 48 -8.630 -2.911 1.303 1.00 1.84 O ATOM 0 H TYR A 48 -5.431 -4.283 -3.475 1.00 1.02 H new ATOM 0 HA TYR A 48 -4.695 -7.072 -3.701 1.00 0.89 H new ATOM 0 HB2 TYR A 48 -5.313 -7.243 -1.380 1.00 0.95 H new ATOM 0 HB3 TYR A 48 -4.219 -5.898 -1.632 1.00 0.95 H new ATOM 0 HD1 TYR A 48 -5.005 -3.552 -1.369 1.00 2.34 H new ATOM 0 HD2 TYR A 48 -7.612 -6.895 -0.631 1.00 1.89 H new ATOM 0 HE1 TYR A 48 -6.439 -2.118 0.063 1.00 2.54 H new ATOM 0 HE2 TYR A 48 -9.076 -5.443 0.753 1.00 1.95 H new ATOM 0 HH TYR A 48 -9.556 -3.229 1.265 1.00 1.84 H new ATOM 739 N ASP A 49 -6.904 -8.261 -3.804 1.00 0.60 N ATOM 740 CA ASP A 49 -8.163 -8.996 -3.891 1.00 0.68 C ATOM 741 C ASP A 49 -8.984 -8.693 -2.630 1.00 0.75 C ATOM 742 O ASP A 49 -8.567 -9.102 -1.542 1.00 0.76 O ATOM 743 CB ASP A 49 -7.900 -10.511 -3.972 1.00 0.76 C ATOM 744 CG ASP A 49 -7.236 -10.959 -5.267 1.00 1.48 C ATOM 745 OD1 ASP A 49 -7.742 -10.558 -6.336 1.00 2.43 O ATOM 746 OD2 ASP A 49 -6.252 -11.724 -5.164 1.00 2.30 O ATOM 0 H ASP A 49 -6.082 -8.862 -3.866 1.00 0.60 H new ATOM 0 HA ASP A 49 -8.702 -8.690 -4.788 1.00 0.68 H new ATOM 0 HB2 ASP A 49 -7.270 -10.805 -3.133 1.00 0.76 H new ATOM 0 HB3 ASP A 49 -8.847 -11.040 -3.860 1.00 0.76 H new ATOM 751 N PRO A 50 -10.124 -7.987 -2.720 1.00 0.93 N ATOM 752 CA PRO A 50 -10.812 -7.424 -1.563 1.00 1.17 C ATOM 753 C PRO A 50 -11.680 -8.471 -0.847 1.00 1.29 C ATOM 754 O PRO A 50 -12.847 -8.219 -0.552 1.00 1.65 O ATOM 755 CB PRO A 50 -11.636 -6.269 -2.147 1.00 1.43 C ATOM 756 CG PRO A 50 -12.029 -6.811 -3.522 1.00 1.33 C ATOM 757 CD PRO A 50 -10.763 -7.551 -3.952 1.00 1.04 C ATOM 0 HA PRO A 50 -10.124 -7.081 -0.790 1.00 1.17 H new ATOM 0 HB2 PRO A 50 -12.509 -6.042 -1.535 1.00 1.43 H new ATOM 0 HB3 PRO A 50 -11.053 -5.351 -2.223 1.00 1.43 H new ATOM 0 HG2 PRO A 50 -12.890 -7.477 -3.466 1.00 1.33 H new ATOM 0 HG3 PRO A 50 -12.289 -6.011 -4.216 1.00 1.33 H new ATOM 0 HD2 PRO A 50 -11.004 -8.401 -4.590 1.00 1.04 H new ATOM 0 HD3 PRO A 50 -10.104 -6.899 -4.525 1.00 1.04 H new ATOM 765 N GLU A 51 -11.106 -9.645 -0.570 1.00 1.28 N ATOM 766 CA GLU A 51 -11.799 -10.804 -0.030 1.00 1.35 C ATOM 767 C GLU A 51 -10.940 -11.446 1.060 1.00 1.19 C ATOM 768 O GLU A 51 -11.332 -11.504 2.222 1.00 1.75 O ATOM 769 CB GLU A 51 -12.100 -11.795 -1.168 1.00 1.53 C ATOM 770 CG GLU A 51 -12.831 -11.112 -2.329 1.00 2.56 C ATOM 771 CD GLU A 51 -13.262 -12.113 -3.385 1.00 2.93 C ATOM 772 OE1 GLU A 51 -12.383 -12.613 -4.122 1.00 3.17 O ATOM 773 OE2 GLU A 51 -14.477 -12.383 -3.517 1.00 3.86 O ATOM 0 H GLU A 51 -10.112 -9.814 -0.723 1.00 1.28 H new ATOM 0 HA GLU A 51 -12.746 -10.504 0.418 1.00 1.35 H new ATOM 0 HB2 GLU A 51 -11.168 -12.230 -1.529 1.00 1.53 H new ATOM 0 HB3 GLU A 51 -12.708 -12.615 -0.786 1.00 1.53 H new ATOM 0 HG2 GLU A 51 -13.706 -10.584 -1.949 1.00 2.56 H new ATOM 0 HG3 GLU A 51 -12.179 -10.364 -2.780 1.00 2.56 H new ATOM 780 N ILE A 52 -9.760 -11.938 0.674 1.00 0.73 N ATOM 781 CA ILE A 52 -8.867 -12.664 1.570 1.00 0.72 C ATOM 782 C ILE A 52 -8.104 -11.747 2.519 1.00 0.71 C ATOM 783 O ILE A 52 -7.658 -12.193 3.574 1.00 1.04 O ATOM 784 CB ILE A 52 -7.928 -13.583 0.775 1.00 0.94 C ATOM 785 CG1 ILE A 52 -7.099 -12.841 -0.288 1.00 1.25 C ATOM 786 CG2 ILE A 52 -8.743 -14.728 0.154 1.00 1.64 C ATOM 787 CD1 ILE A 52 -6.031 -13.753 -0.899 1.00 1.93 C ATOM 0 H ILE A 52 -9.399 -11.841 -0.275 1.00 0.73 H new ATOM 0 HA ILE A 52 -9.492 -13.290 2.207 1.00 0.72 H new ATOM 0 HB ILE A 52 -7.197 -13.989 1.474 1.00 0.94 H new ATOM 0 HG12 ILE A 52 -7.758 -12.472 -1.074 1.00 1.25 H new ATOM 0 HG13 ILE A 52 -6.622 -11.970 0.162 1.00 1.25 H new ATOM 0 HG21 ILE A 52 -8.079 -15.382 -0.411 1.00 1.64 H new ATOM 0 HG22 ILE A 52 -9.229 -15.299 0.945 1.00 1.64 H new ATOM 0 HG23 ILE A 52 -9.500 -14.316 -0.513 1.00 1.64 H new ATOM 0 HD11 ILE A 52 -5.463 -13.198 -1.646 1.00 1.93 H new ATOM 0 HD12 ILE A 52 -5.358 -14.100 -0.115 1.00 1.93 H new ATOM 0 HD13 ILE A 52 -6.511 -14.610 -1.371 1.00 1.93 H new ATOM 799 N ILE A 53 -7.933 -10.483 2.140 1.00 0.73 N ATOM 800 CA ILE A 53 -7.203 -9.502 2.922 1.00 0.81 C ATOM 801 C ILE A 53 -7.940 -8.167 2.854 1.00 0.71 C ATOM 802 O ILE A 53 -8.534 -7.851 1.824 1.00 0.76 O ATOM 803 CB ILE A 53 -5.759 -9.453 2.400 1.00 0.99 C ATOM 804 CG1 ILE A 53 -4.880 -8.686 3.390 1.00 1.30 C ATOM 805 CG2 ILE A 53 -5.656 -8.865 0.985 1.00 1.02 C ATOM 806 CD1 ILE A 53 -3.401 -8.935 3.119 1.00 1.06 C ATOM 0 H ILE A 53 -8.306 -10.111 1.266 1.00 0.73 H new ATOM 0 HA ILE A 53 -7.151 -9.766 3.978 1.00 0.81 H new ATOM 0 HB ILE A 53 -5.400 -10.479 2.321 1.00 0.99 H new ATOM 0 HG12 ILE A 53 -5.091 -7.619 3.318 1.00 1.30 H new ATOM 0 HG13 ILE A 53 -5.123 -8.991 4.408 1.00 1.30 H new ATOM 0 HG21 ILE A 53 -4.613 -8.856 0.670 1.00 1.02 H new ATOM 0 HG22 ILE A 53 -6.238 -9.475 0.294 1.00 1.02 H new ATOM 0 HG23 ILE A 53 -6.044 -7.846 0.985 1.00 1.02 H new ATOM 0 HD11 ILE A 53 -2.800 -8.377 3.838 1.00 1.06 H new ATOM 0 HD12 ILE A 53 -3.187 -9.999 3.216 1.00 1.06 H new ATOM 0 HD13 ILE A 53 -3.156 -8.607 2.109 1.00 1.06 H new ATOM 818 N GLY A 54 -7.949 -7.421 3.961 1.00 0.73 N ATOM 819 CA GLY A 54 -8.718 -6.198 4.118 1.00 0.72 C ATOM 820 C GLY A 54 -7.823 -4.979 4.353 1.00 0.75 C ATOM 821 O GLY A 54 -6.606 -5.101 4.517 1.00 0.87 O ATOM 0 H GLY A 54 -7.406 -7.662 4.790 1.00 0.73 H new ATOM 0 HA2 GLY A 54 -9.324 -6.035 3.227 1.00 0.72 H new ATOM 0 HA3 GLY A 54 -9.406 -6.308 4.956 1.00 0.72 H new ATOM 825 N PRO A 55 -8.429 -3.783 4.410 1.00 0.70 N ATOM 826 CA PRO A 55 -7.706 -2.538 4.601 1.00 0.70 C ATOM 827 C PRO A 55 -6.968 -2.539 5.939 1.00 0.81 C ATOM 828 O PRO A 55 -5.838 -2.073 6.003 1.00 0.84 O ATOM 829 CB PRO A 55 -8.753 -1.424 4.508 1.00 0.70 C ATOM 830 CG PRO A 55 -10.066 -2.123 4.863 1.00 0.73 C ATOM 831 CD PRO A 55 -9.862 -3.544 4.336 1.00 0.70 C ATOM 0 HA PRO A 55 -6.934 -2.394 3.845 1.00 0.70 H new ATOM 0 HB2 PRO A 55 -8.534 -0.611 5.200 1.00 0.70 H new ATOM 0 HB3 PRO A 55 -8.788 -0.991 3.508 1.00 0.70 H new ATOM 0 HG2 PRO A 55 -10.248 -2.115 5.938 1.00 0.73 H new ATOM 0 HG3 PRO A 55 -10.920 -1.638 4.391 1.00 0.73 H new ATOM 0 HD2 PRO A 55 -10.412 -4.268 4.937 1.00 0.70 H new ATOM 0 HD3 PRO A 55 -10.223 -3.639 3.312 1.00 0.70 H new ATOM 839 N ARG A 56 -7.585 -3.088 6.992 1.00 0.89 N ATOM 840 CA ARG A 56 -6.945 -3.332 8.282 1.00 0.92 C ATOM 841 C ARG A 56 -5.575 -3.988 8.088 1.00 0.89 C ATOM 842 O ARG A 56 -4.562 -3.551 8.636 1.00 0.84 O ATOM 843 CB ARG A 56 -7.849 -4.267 9.105 1.00 0.91 C ATOM 844 CG ARG A 56 -7.245 -4.617 10.474 1.00 2.10 C ATOM 845 CD ARG A 56 -7.927 -5.839 11.097 1.00 2.62 C ATOM 846 NE ARG A 56 -7.605 -7.073 10.354 1.00 4.10 N ATOM 847 CZ ARG A 56 -8.096 -8.293 10.614 1.00 5.37 C ATOM 848 NH1 ARG A 56 -8.938 -8.474 11.638 1.00 5.26 N ATOM 849 NH2 ARG A 56 -7.732 -9.316 9.841 1.00 7.19 N ATOM 0 H ARG A 56 -8.562 -3.379 6.967 1.00 0.89 H new ATOM 0 HA ARG A 56 -6.802 -2.384 8.801 1.00 0.92 H new ATOM 0 HB2 ARG A 56 -8.820 -3.793 9.251 1.00 0.91 H new ATOM 0 HB3 ARG A 56 -8.024 -5.185 8.543 1.00 0.91 H new ATOM 0 HG2 ARG A 56 -6.179 -4.813 10.362 1.00 2.10 H new ATOM 0 HG3 ARG A 56 -7.344 -3.763 11.145 1.00 2.10 H new ATOM 0 HD2 ARG A 56 -7.611 -5.944 12.135 1.00 2.62 H new ATOM 0 HD3 ARG A 56 -9.007 -5.690 11.107 1.00 2.62 H new ATOM 0 HE ARG A 56 -6.952 -6.990 9.575 1.00 4.10 H new ATOM 0 HH11 ARG A 56 -9.208 -7.683 12.223 1.00 5.26 H new ATOM 0 HH12 ARG A 56 -9.310 -9.403 11.834 1.00 5.26 H new ATOM 0 HH21 ARG A 56 -7.088 -9.165 9.064 1.00 7.19 H new ATOM 0 HH22 ARG A 56 -8.097 -10.250 10.026 1.00 7.19 H new ATOM 863 N ASP A 57 -5.569 -5.088 7.338 1.00 0.92 N ATOM 864 CA ASP A 57 -4.406 -5.940 7.221 1.00 0.94 C ATOM 865 C ASP A 57 -3.331 -5.166 6.474 1.00 0.81 C ATOM 866 O ASP A 57 -2.184 -5.108 6.914 1.00 0.73 O ATOM 867 CB ASP A 57 -4.795 -7.229 6.497 1.00 1.12 C ATOM 868 CG ASP A 57 -6.021 -7.886 7.111 1.00 1.91 C ATOM 869 OD1 ASP A 57 -6.081 -7.965 8.358 1.00 2.93 O ATOM 870 OD2 ASP A 57 -6.928 -8.244 6.333 1.00 2.58 O ATOM 0 H ASP A 57 -6.374 -5.406 6.798 1.00 0.92 H new ATOM 0 HA ASP A 57 -4.017 -6.222 8.199 1.00 0.94 H new ATOM 0 HB2 ASP A 57 -4.990 -7.009 5.447 1.00 1.12 H new ATOM 0 HB3 ASP A 57 -3.958 -7.927 6.526 1.00 1.12 H new ATOM 875 N ILE A 58 -3.714 -4.525 5.367 1.00 0.82 N ATOM 876 CA ILE A 58 -2.833 -3.627 4.638 1.00 0.75 C ATOM 877 C ILE A 58 -2.266 -2.539 5.551 1.00 0.66 C ATOM 878 O ILE A 58 -1.059 -2.302 5.532 1.00 0.61 O ATOM 879 CB ILE A 58 -3.564 -3.070 3.407 1.00 0.69 C ATOM 880 CG1 ILE A 58 -3.845 -4.191 2.395 1.00 0.65 C ATOM 881 CG2 ILE A 58 -2.793 -1.915 2.750 1.00 0.73 C ATOM 882 CD1 ILE A 58 -2.576 -4.905 1.919 1.00 2.04 C ATOM 0 H ILE A 58 -4.643 -4.618 4.956 1.00 0.82 H new ATOM 0 HA ILE A 58 -1.968 -4.182 4.276 1.00 0.75 H new ATOM 0 HB ILE A 58 -4.516 -2.662 3.748 1.00 0.69 H new ATOM 0 HG12 ILE A 58 -4.517 -4.920 2.848 1.00 0.65 H new ATOM 0 HG13 ILE A 58 -4.364 -3.772 1.533 1.00 0.65 H new ATOM 0 HG21 ILE A 58 -3.348 -1.553 1.884 1.00 0.73 H new ATOM 0 HG22 ILE A 58 -2.671 -1.104 3.468 1.00 0.73 H new ATOM 0 HG23 ILE A 58 -1.812 -2.267 2.431 1.00 0.73 H new ATOM 0 HD11 ILE A 58 -2.843 -5.685 1.206 1.00 2.04 H new ATOM 0 HD12 ILE A 58 -1.913 -4.186 1.438 1.00 2.04 H new ATOM 0 HD13 ILE A 58 -2.068 -5.352 2.773 1.00 2.04 H new ATOM 894 N ILE A 59 -3.105 -1.898 6.365 1.00 0.66 N ATOM 895 CA ILE A 59 -2.656 -0.897 7.319 1.00 0.58 C ATOM 896 C ILE A 59 -1.550 -1.487 8.192 1.00 0.47 C ATOM 897 O ILE A 59 -0.460 -0.930 8.253 1.00 0.43 O ATOM 898 CB ILE A 59 -3.839 -0.323 8.127 1.00 0.71 C ATOM 899 CG1 ILE A 59 -4.554 0.769 7.308 1.00 0.94 C ATOM 900 CG2 ILE A 59 -3.431 0.247 9.496 1.00 0.72 C ATOM 901 CD1 ILE A 59 -6.028 0.878 7.701 1.00 0.98 C ATOM 0 H ILE A 59 -4.112 -2.061 6.378 1.00 0.66 H new ATOM 0 HA ILE A 59 -2.230 -0.046 6.787 1.00 0.58 H new ATOM 0 HB ILE A 59 -4.510 -1.159 8.322 1.00 0.71 H new ATOM 0 HG12 ILE A 59 -4.061 1.728 7.467 1.00 0.94 H new ATOM 0 HG13 ILE A 59 -4.474 0.541 6.245 1.00 0.94 H new ATOM 0 HG21 ILE A 59 -4.313 0.632 10.007 1.00 0.72 H new ATOM 0 HG22 ILE A 59 -2.978 -0.541 10.098 1.00 0.72 H new ATOM 0 HG23 ILE A 59 -2.712 1.054 9.355 1.00 0.72 H new ATOM 0 HD11 ILE A 59 -6.506 1.656 7.107 1.00 0.98 H new ATOM 0 HD12 ILE A 59 -6.525 -0.075 7.518 1.00 0.98 H new ATOM 0 HD13 ILE A 59 -6.105 1.130 8.759 1.00 0.98 H new ATOM 913 N HIS A 60 -1.800 -2.628 8.839 1.00 0.47 N ATOM 914 CA HIS A 60 -0.821 -3.232 9.738 1.00 0.46 C ATOM 915 C HIS A 60 0.458 -3.587 8.975 1.00 0.45 C ATOM 916 O HIS A 60 1.574 -3.359 9.446 1.00 0.52 O ATOM 917 CB HIS A 60 -1.421 -4.477 10.399 1.00 0.57 C ATOM 918 CG HIS A 60 -2.655 -4.207 11.222 1.00 0.99 C ATOM 919 ND1 HIS A 60 -3.093 -2.982 11.672 1.00 2.41 N ATOM 920 CD2 HIS A 60 -3.531 -5.151 11.681 1.00 1.40 C ATOM 921 CE1 HIS A 60 -4.216 -3.190 12.380 1.00 2.60 C ATOM 922 NE2 HIS A 60 -4.522 -4.497 12.421 1.00 1.85 N ATOM 0 H HIS A 60 -2.672 -3.150 8.755 1.00 0.47 H new ATOM 0 HA HIS A 60 -0.563 -2.513 10.516 1.00 0.46 H new ATOM 0 HB2 HIS A 60 -1.667 -5.203 9.624 1.00 0.57 H new ATOM 0 HB3 HIS A 60 -0.666 -4.935 11.037 1.00 0.57 H new ATOM 0 HD2 HIS A 60 -3.469 -6.215 11.504 1.00 1.40 H new ATOM 0 HE1 HIS A 60 -4.795 -2.410 12.853 1.00 2.60 H new ATOM 0 HE2 HIS A 60 -5.316 -4.926 12.896 1.00 1.85 H new ATOM 930 N THR A 61 0.278 -4.148 7.781 1.00 0.52 N ATOM 931 CA THR A 61 1.369 -4.572 6.919 1.00 0.69 C ATOM 932 C THR A 61 2.275 -3.380 6.604 1.00 0.72 C ATOM 933 O THR A 61 3.491 -3.472 6.749 1.00 0.91 O ATOM 934 CB THR A 61 0.787 -5.227 5.659 1.00 0.85 C ATOM 935 OG1 THR A 61 0.062 -6.382 6.026 1.00 0.96 O ATOM 936 CG2 THR A 61 1.859 -5.658 4.651 1.00 1.09 C ATOM 0 H THR A 61 -0.645 -4.321 7.383 1.00 0.52 H new ATOM 0 HA THR A 61 1.989 -5.315 7.420 1.00 0.69 H new ATOM 0 HB THR A 61 0.155 -4.475 5.186 1.00 0.85 H new ATOM 0 HG1 THR A 61 -0.805 -6.119 6.400 1.00 0.96 H new ATOM 0 HG21 THR A 61 1.381 -6.114 3.784 1.00 1.09 H new ATOM 0 HG22 THR A 61 2.431 -4.786 4.334 1.00 1.09 H new ATOM 0 HG23 THR A 61 2.528 -6.381 5.118 1.00 1.09 H new ATOM 944 N ILE A 62 1.693 -2.256 6.184 1.00 0.59 N ATOM 945 CA ILE A 62 2.451 -1.055 5.868 1.00 0.61 C ATOM 946 C ILE A 62 3.059 -0.459 7.145 1.00 0.65 C ATOM 947 O ILE A 62 4.233 -0.092 7.138 1.00 0.81 O ATOM 948 CB ILE A 62 1.563 -0.063 5.103 1.00 0.50 C ATOM 949 CG1 ILE A 62 1.107 -0.600 3.733 1.00 0.65 C ATOM 950 CG2 ILE A 62 2.256 1.296 4.952 1.00 0.51 C ATOM 951 CD1 ILE A 62 2.163 -0.471 2.636 1.00 1.47 C ATOM 0 H ILE A 62 0.686 -2.157 6.055 1.00 0.59 H new ATOM 0 HA ILE A 62 3.286 -1.303 5.213 1.00 0.61 H new ATOM 0 HB ILE A 62 0.663 0.069 5.703 1.00 0.50 H new ATOM 0 HG12 ILE A 62 0.832 -1.650 3.838 1.00 0.65 H new ATOM 0 HG13 ILE A 62 0.209 -0.065 3.424 1.00 0.65 H new ATOM 0 HG21 ILE A 62 1.604 1.978 4.406 1.00 0.51 H new ATOM 0 HG22 ILE A 62 2.468 1.708 5.939 1.00 0.51 H new ATOM 0 HG23 ILE A 62 3.189 1.170 4.403 1.00 0.51 H new ATOM 0 HD11 ILE A 62 1.768 -0.870 1.702 1.00 1.47 H new ATOM 0 HD12 ILE A 62 2.421 0.579 2.501 1.00 1.47 H new ATOM 0 HD13 ILE A 62 3.054 -1.030 2.921 1.00 1.47 H new ATOM 963 N GLU A 63 2.298 -0.396 8.245 1.00 0.56 N ATOM 964 CA GLU A 63 2.803 0.078 9.532 1.00 0.63 C ATOM 965 C GLU A 63 4.074 -0.674 9.923 1.00 0.71 C ATOM 966 O GLU A 63 5.056 -0.071 10.346 1.00 0.77 O ATOM 967 CB GLU A 63 1.731 -0.033 10.635 1.00 0.64 C ATOM 968 CG GLU A 63 1.430 1.345 11.236 1.00 1.60 C ATOM 969 CD GLU A 63 2.638 1.913 11.975 1.00 3.63 C ATOM 970 OE1 GLU A 63 2.914 1.389 13.075 1.00 4.26 O ATOM 971 OE2 GLU A 63 3.273 2.834 11.417 1.00 5.16 O ATOM 0 H GLU A 63 1.316 -0.673 8.264 1.00 0.56 H new ATOM 0 HA GLU A 63 3.051 1.134 9.424 1.00 0.63 H new ATOM 0 HB2 GLU A 63 0.819 -0.462 10.221 1.00 0.64 H new ATOM 0 HB3 GLU A 63 2.075 -0.710 11.417 1.00 0.64 H new ATOM 0 HG2 GLU A 63 1.133 2.031 10.443 1.00 1.60 H new ATOM 0 HG3 GLU A 63 0.587 1.267 11.922 1.00 1.60 H new ATOM 978 N SER A 64 4.092 -1.993 9.713 1.00 0.75 N ATOM 979 CA SER A 64 5.273 -2.811 9.970 1.00 0.84 C ATOM 980 C SER A 64 6.528 -2.307 9.234 1.00 0.84 C ATOM 981 O SER A 64 7.642 -2.612 9.654 1.00 1.13 O ATOM 982 CB SER A 64 4.991 -4.275 9.621 1.00 0.95 C ATOM 983 OG SER A 64 3.839 -4.748 10.296 1.00 1.67 O ATOM 0 H SER A 64 3.291 -2.519 9.362 1.00 0.75 H new ATOM 0 HA SER A 64 5.488 -2.729 11.035 1.00 0.84 H new ATOM 0 HB2 SER A 64 4.852 -4.375 8.545 1.00 0.95 H new ATOM 0 HB3 SER A 64 5.851 -4.888 9.890 1.00 0.95 H new ATOM 0 HG SER A 64 3.039 -4.343 9.901 1.00 1.67 H new ATOM 989 N LEU A 65 6.373 -1.559 8.134 1.00 0.67 N ATOM 990 CA LEU A 65 7.482 -0.988 7.374 1.00 0.73 C ATOM 991 C LEU A 65 7.916 0.378 7.923 1.00 0.73 C ATOM 992 O LEU A 65 8.961 0.887 7.509 1.00 0.95 O ATOM 993 CB LEU A 65 7.117 -0.877 5.886 1.00 0.76 C ATOM 994 CG LEU A 65 6.441 -2.134 5.315 1.00 0.76 C ATOM 995 CD1 LEU A 65 6.210 -1.950 3.813 1.00 1.00 C ATOM 996 CD2 LEU A 65 7.253 -3.412 5.552 1.00 0.94 C ATOM 0 H LEU A 65 5.458 -1.333 7.745 1.00 0.67 H new ATOM 0 HA LEU A 65 8.329 -1.666 7.482 1.00 0.73 H new ATOM 0 HB2 LEU A 65 6.452 -0.024 5.748 1.00 0.76 H new ATOM 0 HB3 LEU A 65 8.022 -0.672 5.314 1.00 0.76 H new ATOM 0 HG LEU A 65 5.494 -2.254 5.841 1.00 0.76 H new ATOM 0 HD11 LEU A 65 5.731 -2.841 3.407 1.00 1.00 H new ATOM 0 HD12 LEU A 65 5.568 -1.085 3.647 1.00 1.00 H new ATOM 0 HD13 LEU A 65 7.166 -1.793 3.314 1.00 1.00 H new ATOM 0 HD21 LEU A 65 6.723 -4.264 5.126 1.00 0.94 H new ATOM 0 HD22 LEU A 65 8.229 -3.317 5.076 1.00 0.94 H new ATOM 0 HD23 LEU A 65 7.385 -3.566 6.623 1.00 0.94 H new ATOM 1008 N GLY A 66 7.145 0.962 8.845 1.00 0.70 N ATOM 1009 CA GLY A 66 7.470 2.193 9.549 1.00 0.77 C ATOM 1010 C GLY A 66 6.982 3.436 8.808 1.00 0.73 C ATOM 1011 O GLY A 66 7.686 4.444 8.782 1.00 0.82 O ATOM 0 H GLY A 66 6.246 0.571 9.127 1.00 0.70 H new ATOM 0 HA2 GLY A 66 7.024 2.168 10.543 1.00 0.77 H new ATOM 0 HA3 GLY A 66 8.550 2.256 9.686 1.00 0.77 H new ATOM 1015 N PHE A 67 5.780 3.376 8.226 1.00 0.64 N ATOM 1016 CA PHE A 67 5.117 4.492 7.564 1.00 0.62 C ATOM 1017 C PHE A 67 3.632 4.375 7.898 1.00 0.60 C ATOM 1018 O PHE A 67 3.136 3.253 7.895 1.00 0.75 O ATOM 1019 CB PHE A 67 5.291 4.383 6.043 1.00 0.65 C ATOM 1020 CG PHE A 67 6.671 3.995 5.538 1.00 0.66 C ATOM 1021 CD1 PHE A 67 7.776 4.827 5.793 1.00 2.01 C ATOM 1022 CD2 PHE A 67 6.821 2.888 4.681 1.00 1.82 C ATOM 1023 CE1 PHE A 67 9.005 4.591 5.156 1.00 2.00 C ATOM 1024 CE2 PHE A 67 8.042 2.668 4.020 1.00 1.81 C ATOM 1025 CZ PHE A 67 9.134 3.520 4.256 1.00 0.62 C ATOM 0 H PHE A 67 5.228 2.519 8.205 1.00 0.64 H new ATOM 0 HA PHE A 67 5.537 5.442 7.895 1.00 0.62 H new ATOM 0 HB2 PHE A 67 4.575 3.651 5.671 1.00 0.65 H new ATOM 0 HB3 PHE A 67 5.025 5.343 5.601 1.00 0.65 H new ATOM 0 HD1 PHE A 67 7.679 5.652 6.483 1.00 2.01 H new ATOM 0 HD2 PHE A 67 5.997 2.207 4.531 1.00 1.82 H new ATOM 0 HE1 PHE A 67 9.850 5.232 5.358 1.00 2.00 H new ATOM 0 HE2 PHE A 67 8.141 1.843 3.330 1.00 1.81 H new ATOM 0 HZ PHE A 67 10.071 3.352 3.746 1.00 0.62 H new ATOM 1035 N GLU A 68 2.923 5.481 8.149 1.00 0.76 N ATOM 1036 CA GLU A 68 1.544 5.453 8.620 1.00 0.86 C ATOM 1037 C GLU A 68 0.583 5.482 7.428 1.00 0.78 C ATOM 1038 O GLU A 68 0.558 6.493 6.718 1.00 0.87 O ATOM 1039 CB GLU A 68 1.293 6.664 9.529 1.00 1.17 C ATOM 1040 CG GLU A 68 0.453 6.271 10.742 1.00 2.05 C ATOM 1041 CD GLU A 68 -0.952 5.799 10.380 1.00 3.91 C ATOM 1042 OE1 GLU A 68 -1.558 6.459 9.506 1.00 4.19 O ATOM 1043 OE2 GLU A 68 -1.404 4.809 10.985 1.00 5.57 O ATOM 0 H GLU A 68 3.296 6.423 8.029 1.00 0.76 H new ATOM 0 HA GLU A 68 1.372 4.536 9.184 1.00 0.86 H new ATOM 0 HB2 GLU A 68 2.245 7.079 9.860 1.00 1.17 H new ATOM 0 HB3 GLU A 68 0.783 7.446 8.967 1.00 1.17 H new ATOM 0 HG2 GLU A 68 0.965 5.478 11.288 1.00 2.05 H new ATOM 0 HG3 GLU A 68 0.379 7.125 11.415 1.00 2.05 H new ATOM 1050 N PRO A 69 -0.187 4.412 7.179 1.00 0.69 N ATOM 1051 CA PRO A 69 -1.147 4.339 6.094 1.00 0.72 C ATOM 1052 C PRO A 69 -2.530 4.795 6.564 1.00 0.97 C ATOM 1053 O PRO A 69 -2.980 4.436 7.649 1.00 1.66 O ATOM 1054 CB PRO A 69 -1.194 2.858 5.738 1.00 0.57 C ATOM 1055 CG PRO A 69 -0.996 2.175 7.085 1.00 0.56 C ATOM 1056 CD PRO A 69 -0.149 3.147 7.897 1.00 0.66 C ATOM 0 HA PRO A 69 -0.868 4.976 5.255 1.00 0.72 H new ATOM 0 HB2 PRO A 69 -2.145 2.583 5.282 1.00 0.57 H new ATOM 0 HB3 PRO A 69 -0.411 2.588 5.030 1.00 0.57 H new ATOM 0 HG2 PRO A 69 -1.951 1.980 7.573 1.00 0.56 H new ATOM 0 HG3 PRO A 69 -0.494 1.214 6.971 1.00 0.56 H new ATOM 0 HD2 PRO A 69 -0.545 3.260 8.906 1.00 0.66 H new ATOM 0 HD3 PRO A 69 0.874 2.785 7.995 1.00 0.66 H new ATOM 1064 N SER A 70 -3.265 5.539 5.735 1.00 0.93 N ATOM 1065 CA SER A 70 -4.681 5.771 5.993 1.00 1.38 C ATOM 1066 C SER A 70 -5.425 5.830 4.664 1.00 1.07 C ATOM 1067 O SER A 70 -5.016 6.569 3.771 1.00 0.94 O ATOM 1068 CB SER A 70 -4.869 7.037 6.831 1.00 2.07 C ATOM 1069 OG SER A 70 -4.007 7.005 7.956 1.00 2.71 O ATOM 0 H SER A 70 -2.906 5.985 4.891 1.00 0.93 H new ATOM 0 HA SER A 70 -5.099 4.950 6.575 1.00 1.38 H new ATOM 0 HB2 SER A 70 -4.658 7.919 6.226 1.00 2.07 H new ATOM 0 HB3 SER A 70 -5.906 7.116 7.159 1.00 2.07 H new ATOM 0 HG SER A 70 -4.132 7.819 8.487 1.00 2.71 H new ATOM 1075 N LEU A 71 -6.464 5.004 4.520 1.00 1.10 N ATOM 1076 CA LEU A 71 -7.222 4.836 3.292 1.00 0.98 C ATOM 1077 C LEU A 71 -7.897 6.138 2.854 1.00 0.99 C ATOM 1078 O LEU A 71 -8.467 6.842 3.685 1.00 1.22 O ATOM 1079 CB LEU A 71 -8.214 3.673 3.440 1.00 1.24 C ATOM 1080 CG LEU A 71 -9.412 3.882 4.386 1.00 1.58 C ATOM 1081 CD1 LEU A 71 -10.365 2.691 4.227 1.00 1.85 C ATOM 1082 CD2 LEU A 71 -9.030 4.012 5.866 1.00 2.55 C ATOM 0 H LEU A 71 -6.806 4.419 5.282 1.00 1.10 H new ATOM 0 HA LEU A 71 -6.530 4.580 2.490 1.00 0.98 H new ATOM 0 HB2 LEU A 71 -8.603 3.434 2.450 1.00 1.24 H new ATOM 0 HB3 LEU A 71 -7.661 2.799 3.784 1.00 1.24 H new ATOM 0 HG LEU A 71 -9.875 4.828 4.104 1.00 1.58 H new ATOM 0 HD11 LEU A 71 -11.221 2.819 4.889 1.00 1.85 H new ATOM 0 HD12 LEU A 71 -10.710 2.636 3.194 1.00 1.85 H new ATOM 0 HD13 LEU A 71 -9.842 1.770 4.484 1.00 1.85 H new ATOM 0 HD21 LEU A 71 -9.931 4.157 6.463 1.00 2.55 H new ATOM 0 HD22 LEU A 71 -8.521 3.105 6.191 1.00 2.55 H new ATOM 0 HD23 LEU A 71 -8.367 4.867 5.997 1.00 2.55 H new ATOM 1094 N VAL A 72 -7.827 6.452 1.555 1.00 1.64 N ATOM 1095 CA VAL A 72 -8.495 7.606 0.956 1.00 1.81 C ATOM 1096 C VAL A 72 -9.079 7.265 -0.421 1.00 1.98 C ATOM 1097 O VAL A 72 -10.255 7.530 -0.651 1.00 2.79 O ATOM 1098 CB VAL A 72 -7.555 8.827 0.890 1.00 1.94 C ATOM 1099 CG1 VAL A 72 -8.287 10.036 0.288 1.00 2.55 C ATOM 1100 CG2 VAL A 72 -7.057 9.241 2.281 1.00 2.37 C ATOM 0 H VAL A 72 -7.295 5.900 0.882 1.00 1.64 H new ATOM 0 HA VAL A 72 -9.331 7.874 1.603 1.00 1.81 H new ATOM 0 HB VAL A 72 -6.708 8.532 0.270 1.00 1.94 H new ATOM 0 HG11 VAL A 72 -7.609 10.889 0.249 1.00 2.55 H new ATOM 0 HG12 VAL A 72 -8.623 9.793 -0.720 1.00 2.55 H new ATOM 0 HG13 VAL A 72 -9.148 10.285 0.908 1.00 2.55 H new ATOM 0 HG21 VAL A 72 -6.398 10.104 2.189 1.00 2.37 H new ATOM 0 HG22 VAL A 72 -7.909 9.500 2.910 1.00 2.37 H new ATOM 0 HG23 VAL A 72 -6.510 8.413 2.733 1.00 2.37 H new ATOM 1110 N LYS A 73 -8.271 6.715 -1.341 1.00 1.83 N ATOM 1111 CA LYS A 73 -8.631 6.592 -2.759 1.00 2.20 C ATOM 1112 C LYS A 73 -8.955 7.975 -3.352 1.00 2.50 C ATOM 1113 O LYS A 73 -10.118 8.356 -3.487 1.00 3.25 O ATOM 1114 CB LYS A 73 -9.697 5.491 -2.953 1.00 2.69 C ATOM 1115 CG LYS A 73 -10.307 5.412 -4.363 1.00 3.52 C ATOM 1116 CD LYS A 73 -11.732 6.003 -4.383 1.00 3.76 C ATOM 1117 CE LYS A 73 -12.073 6.730 -5.689 1.00 4.66 C ATOM 1118 NZ LYS A 73 -11.144 7.843 -5.947 1.00 5.27 N ATOM 0 H LYS A 73 -7.347 6.343 -1.120 1.00 1.83 H new ATOM 0 HA LYS A 73 -7.783 6.243 -3.348 1.00 2.20 H new ATOM 0 HB2 LYS A 73 -9.248 4.527 -2.714 1.00 2.69 H new ATOM 0 HB3 LYS A 73 -10.501 5.655 -2.235 1.00 2.69 H new ATOM 0 HG2 LYS A 73 -9.675 5.953 -5.067 1.00 3.52 H new ATOM 0 HG3 LYS A 73 -10.335 4.374 -4.693 1.00 3.52 H new ATOM 0 HD2 LYS A 73 -12.452 5.200 -4.224 1.00 3.76 H new ATOM 0 HD3 LYS A 73 -11.841 6.698 -3.550 1.00 3.76 H new ATOM 0 HE2 LYS A 73 -12.036 6.025 -6.519 1.00 4.66 H new ATOM 0 HE3 LYS A 73 -13.093 7.111 -5.639 1.00 4.66 H new ATOM 0 HZ1 LYS A 73 -11.453 8.365 -6.792 1.00 5.27 H new ATOM 0 HZ2 LYS A 73 -11.134 8.484 -5.128 1.00 5.27 H new ATOM 0 HZ3 LYS A 73 -10.187 7.467 -6.104 1.00 5.27 H new ATOM 1132 N ILE A 74 -7.920 8.736 -3.723 1.00 3.55 N ATOM 1133 CA ILE A 74 -8.073 10.125 -4.145 1.00 4.64 C ATOM 1134 C ILE A 74 -8.689 10.145 -5.550 1.00 5.44 C ATOM 1135 O ILE A 74 -9.915 10.238 -5.647 1.00 5.28 O ATOM 1136 CB ILE A 74 -6.742 10.890 -3.987 1.00 6.17 C ATOM 1137 CG1 ILE A 74 -6.327 10.914 -2.504 1.00 7.03 C ATOM 1138 CG2 ILE A 74 -6.868 12.330 -4.514 1.00 7.18 C ATOM 1139 CD1 ILE A 74 -4.941 11.524 -2.270 1.00 8.88 C ATOM 0 H ILE A 74 -6.956 8.404 -3.738 1.00 3.55 H new ATOM 0 HA ILE A 74 -8.766 10.668 -3.502 1.00 4.64 H new ATOM 0 HB ILE A 74 -5.980 10.375 -4.572 1.00 6.17 H new ATOM 0 HG12 ILE A 74 -7.066 11.480 -1.937 1.00 7.03 H new ATOM 0 HG13 ILE A 74 -6.338 9.896 -2.115 1.00 7.03 H new ATOM 0 HG21 ILE A 74 -5.916 12.847 -4.391 1.00 7.18 H new ATOM 0 HG22 ILE A 74 -7.135 12.309 -5.570 1.00 7.18 H new ATOM 0 HG23 ILE A 74 -7.642 12.856 -3.954 1.00 7.18 H new ATOM 0 HD11 ILE A 74 -4.712 11.509 -1.204 1.00 8.88 H new ATOM 0 HD12 ILE A 74 -4.192 10.944 -2.810 1.00 8.88 H new ATOM 0 HD13 ILE A 74 -4.931 12.553 -2.629 1.00 8.88 H new ATOM 1151 N GLU A 75 -7.885 10.019 -6.612 1.00 6.92 N ATOM 1152 CA GLU A 75 -8.371 9.792 -7.969 1.00 8.18 C ATOM 1153 C GLU A 75 -9.354 8.619 -7.945 1.00 8.10 C ATOM 1154 O GLU A 75 -10.544 8.815 -8.280 1.00 8.24 O ATOM 1155 CB GLU A 75 -7.210 9.504 -8.935 1.00 10.02 C ATOM 1156 CG GLU A 75 -6.170 10.634 -9.037 1.00 11.20 C ATOM 1157 CD GLU A 75 -5.053 10.474 -8.020 1.00 11.92 C ATOM 1158 OE1 GLU A 75 -5.305 10.730 -6.823 1.00 11.59 O ATOM 1159 OE2 GLU A 75 -3.958 9.990 -8.383 1.00 13.10 O ATOM 1160 OXT GLU A 75 -8.993 7.563 -7.375 1.00 8.25 O ATOM 0 H GLU A 75 -6.868 10.073 -6.548 1.00 6.92 H new ATOM 0 HA GLU A 75 -8.873 10.691 -8.326 1.00 8.18 H new ATOM 0 HB2 GLU A 75 -6.706 8.591 -8.616 1.00 10.02 H new ATOM 0 HB3 GLU A 75 -7.618 9.313 -9.927 1.00 10.02 H new ATOM 0 HG2 GLU A 75 -5.747 10.647 -10.041 1.00 11.20 H new ATOM 0 HG3 GLU A 75 -6.663 11.595 -8.886 1.00 11.20 H new TER 1167 GLU A 75 HETATM 1168 CU CU1 A 76 13.137 6.830 1.651 1.00 0.64 CU