USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 944 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 48 THR OG1 : rot 3:sc= 0.222 USER MOD Set 1.2: A 83 HIS : no HD1:sc= 0 X(o=-0.1,f=-0.48) USER MOD Set 1.3: A 85 MET CE :methyl -160:sc= -0.327 (180deg=-0.699) USER MOD Single : A 11 SER OG : rot 57:sc= 0.654 USER MOD Single : A 15 ASN : amide:sc= -0.157 K(o=-0.16,f=-1.9!) USER MOD Single : A 19 TYR OH : rot 150:sc= 0 USER MOD Single : A 21 THR OG1 : rot 99:sc= 1.14 USER MOD Single : A 24 ASN : amide:sc= -0.255 K(o=-0.26,f=-2.1) USER MOD Single : A 37 THR OG1 : rot 87:sc= 0.817 USER MOD Single : A 46 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-0.15) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -165:sc= 1.09 (180deg=0.183) USER MOD Single : A 57 LYS NZ :NH3+ 149:sc= 0.946 (180deg=-0.507) USER MOD Single : A 59 MET CE :methyl -129:sc= 0 (180deg=-0.186) USER MOD Single : A 61 MET CE :methyl -178:sc= 0 (180deg=-0.0131) USER MOD Single : A 72 LYS NZ :NH3+ -117:sc= -0.045 (180deg=-0.458!) USER MOD Single : A 78 LYS NZ :NH3+ 147:sc= 2.21 (180deg=-0.501) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 153:sc= 0.556 (180deg=-1.58!) USER MOD Single : A 94 LYS NZ :NH3+ -141:sc= 1.71 (180deg=-1.28!) USER MOD Single : A 109 LYS NZ :NH3+ -141:sc= -0.201 (180deg=-1.46!) USER MOD Single : A 112 LYS NZ :NH3+ -151:sc= 0.909 (180deg=-0.923!) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 10.630 -2.992 -2.462 1.00 1.94 N ATOM 56 CA GLU A 5 11.026 -2.863 -1.054 1.00 1.46 C ATOM 57 C GLU A 5 9.777 -2.807 -0.135 1.00 1.29 C ATOM 58 O GLU A 5 9.451 -1.756 0.426 1.00 1.66 O ATOM 59 CB GLU A 5 12.001 -1.669 -0.865 1.00 3.14 C ATOM 60 CG GLU A 5 13.113 -1.521 -1.929 1.00 4.05 C ATOM 61 CD GLU A 5 12.694 -0.658 -3.129 1.00 5.71 C ATOM 62 OE1 GLU A 5 11.967 -1.184 -4.002 1.00 6.09 O ATOM 63 OE2 GLU A 5 13.061 0.540 -3.154 1.00 7.17 O ATOM 0 HA GLU A 5 11.580 -3.751 -0.750 1.00 1.46 H new ATOM 0 HB2 GLU A 5 11.417 -0.749 -0.850 1.00 3.14 H new ATOM 0 HB3 GLU A 5 12.473 -1.763 0.113 1.00 3.14 H new ATOM 0 HG2 GLU A 5 13.995 -1.081 -1.464 1.00 4.05 H new ATOM 0 HG3 GLU A 5 13.400 -2.511 -2.284 1.00 4.05 H new ATOM 70 N GLY A 6 9.009 -3.909 -0.059 1.00 1.03 N ATOM 71 CA GLY A 6 7.689 -3.960 0.589 1.00 0.90 C ATOM 72 C GLY A 6 7.461 -5.125 1.548 1.00 0.85 C ATOM 73 O GLY A 6 8.105 -6.165 1.434 1.00 0.94 O ATOM 0 H GLY A 6 9.295 -4.805 -0.454 1.00 1.03 H new ATOM 0 HA2 GLY A 6 7.538 -3.029 1.136 1.00 0.90 H new ATOM 0 HA3 GLY A 6 6.926 -4.000 -0.188 1.00 0.90 H new ATOM 77 N TRP A 7 6.483 -4.969 2.448 1.00 0.81 N ATOM 78 CA TRP A 7 6.120 -5.962 3.464 1.00 0.79 C ATOM 79 C TRP A 7 4.634 -5.892 3.838 1.00 0.70 C ATOM 80 O TRP A 7 4.081 -4.814 4.059 1.00 0.84 O ATOM 81 CB TRP A 7 6.987 -5.821 4.738 1.00 0.97 C ATOM 82 CG TRP A 7 6.898 -4.544 5.529 1.00 1.04 C ATOM 83 CD1 TRP A 7 6.364 -4.433 6.772 1.00 1.14 C ATOM 84 CD2 TRP A 7 7.386 -3.204 5.196 1.00 1.14 C ATOM 85 NE1 TRP A 7 6.467 -3.128 7.217 1.00 1.26 N ATOM 86 CE2 TRP A 7 7.057 -2.322 6.270 1.00 1.29 C ATOM 87 CE3 TRP A 7 8.087 -2.638 4.106 1.00 1.20 C ATOM 88 CZ2 TRP A 7 7.350 -0.951 6.236 1.00 1.50 C ATOM 89 CZ3 TRP A 7 8.378 -1.262 4.053 1.00 1.44 C ATOM 90 CH2 TRP A 7 8.002 -0.414 5.112 1.00 1.59 C ATOM 0 H TRP A 7 5.908 -4.127 2.490 1.00 0.81 H new ATOM 0 HA TRP A 7 6.313 -6.937 3.016 1.00 0.79 H new ATOM 0 HB2 TRP A 7 6.731 -6.643 5.406 1.00 0.97 H new ATOM 0 HB3 TRP A 7 8.028 -5.959 4.447 1.00 0.97 H new ATOM 0 HD1 TRP A 7 5.923 -5.245 7.331 1.00 1.14 H new ATOM 0 HE1 TRP A 7 6.147 -2.804 8.130 1.00 1.26 H new ATOM 0 HE3 TRP A 7 8.406 -3.276 3.296 1.00 1.20 H new ATOM 0 HZ2 TRP A 7 7.078 -0.314 7.065 1.00 1.50 H new ATOM 0 HZ3 TRP A 7 8.893 -0.854 3.195 1.00 1.44 H new ATOM 0 HH2 TRP A 7 8.213 0.644 5.061 1.00 1.59 H new ATOM 101 N VAL A 8 3.991 -7.050 3.964 1.00 0.63 N ATOM 102 CA VAL A 8 2.676 -7.139 4.628 1.00 0.65 C ATOM 103 C VAL A 8 2.896 -7.412 6.118 1.00 0.70 C ATOM 104 O VAL A 8 3.685 -8.285 6.471 1.00 0.77 O ATOM 105 CB VAL A 8 1.754 -8.176 3.953 1.00 0.71 C ATOM 106 CG1 VAL A 8 0.423 -8.333 4.715 1.00 0.84 C ATOM 107 CG2 VAL A 8 1.467 -7.702 2.517 1.00 0.78 C ATOM 0 H VAL A 8 4.350 -7.941 3.620 1.00 0.63 H new ATOM 0 HA VAL A 8 2.151 -6.190 4.525 1.00 0.65 H new ATOM 0 HB VAL A 8 2.253 -9.145 3.954 1.00 0.71 H new ATOM 0 HG11 VAL A 8 -0.200 -9.071 4.210 1.00 0.84 H new ATOM 0 HG12 VAL A 8 0.624 -8.663 5.734 1.00 0.84 H new ATOM 0 HG13 VAL A 8 -0.097 -7.375 4.740 1.00 0.84 H new ATOM 0 HG21 VAL A 8 0.816 -8.421 2.020 1.00 0.78 H new ATOM 0 HG22 VAL A 8 0.977 -6.729 2.546 1.00 0.78 H new ATOM 0 HG23 VAL A 8 2.404 -7.620 1.967 1.00 0.78 H new ATOM 117 N ARG A 9 2.224 -6.655 6.993 1.00 0.74 N ATOM 118 CA ARG A 9 2.460 -6.720 8.440 1.00 0.85 C ATOM 119 C ARG A 9 2.187 -8.117 9.031 1.00 1.21 C ATOM 120 O ARG A 9 1.119 -8.700 8.830 1.00 1.91 O ATOM 121 CB ARG A 9 1.752 -5.539 9.141 1.00 1.03 C ATOM 122 CG ARG A 9 1.041 -5.742 10.493 1.00 1.80 C ATOM 123 CD ARG A 9 -0.269 -6.548 10.503 1.00 3.38 C ATOM 124 NE ARG A 9 -1.155 -6.248 9.372 1.00 4.61 N ATOM 125 CZ ARG A 9 -2.302 -6.852 9.097 1.00 6.29 C ATOM 126 NH1 ARG A 9 -2.750 -7.909 9.750 1.00 6.86 N ATOM 127 NH2 ARG A 9 -3.049 -6.342 8.148 1.00 7.86 N ATOM 0 H ARG A 9 1.506 -5.984 6.720 1.00 0.74 H new ATOM 0 HA ARG A 9 3.524 -6.589 8.639 1.00 0.85 H new ATOM 0 HB2 ARG A 9 2.497 -4.757 9.284 1.00 1.03 H new ATOM 0 HB3 ARG A 9 1.011 -5.149 8.444 1.00 1.03 H new ATOM 0 HG2 ARG A 9 1.741 -6.233 11.169 1.00 1.80 H new ATOM 0 HG3 ARG A 9 0.831 -4.758 10.912 1.00 1.80 H new ATOM 0 HD2 ARG A 9 -0.031 -7.612 10.494 1.00 3.38 H new ATOM 0 HD3 ARG A 9 -0.801 -6.348 11.433 1.00 3.38 H new ATOM 0 HE ARG A 9 -0.860 -5.505 8.738 1.00 4.61 H new ATOM 0 HH11 ARG A 9 -2.204 -8.305 10.515 1.00 6.86 H new ATOM 0 HH12 ARG A 9 -3.642 -8.329 9.490 1.00 6.86 H new ATOM 0 HH21 ARG A 9 -2.741 -5.507 7.649 1.00 7.86 H new ATOM 0 HH22 ARG A 9 -3.939 -6.780 7.908 1.00 7.86 H new ATOM 141 N PHE A 10 3.128 -8.637 9.813 1.00 1.47 N ATOM 142 CA PHE A 10 2.912 -9.757 10.715 1.00 1.83 C ATOM 143 C PHE A 10 1.988 -9.356 11.882 1.00 1.80 C ATOM 144 O PHE A 10 2.396 -8.753 12.871 1.00 2.16 O ATOM 145 CB PHE A 10 4.262 -10.300 11.220 1.00 2.18 C ATOM 146 CG PHE A 10 4.151 -11.273 12.386 1.00 2.46 C ATOM 147 CD1 PHE A 10 3.074 -12.182 12.477 1.00 2.18 C ATOM 148 CD2 PHE A 10 5.087 -11.205 13.435 1.00 3.73 C ATOM 149 CE1 PHE A 10 2.900 -12.957 13.635 1.00 2.44 C ATOM 150 CE2 PHE A 10 4.934 -12.014 14.575 1.00 4.00 C ATOM 151 CZ PHE A 10 3.832 -12.879 14.681 1.00 3.07 C ATOM 0 H PHE A 10 4.084 -8.281 9.836 1.00 1.47 H new ATOM 0 HA PHE A 10 2.411 -10.555 10.168 1.00 1.83 H new ATOM 0 HB2 PHE A 10 4.772 -10.797 10.395 1.00 2.18 H new ATOM 0 HB3 PHE A 10 4.888 -9.460 11.522 1.00 2.18 H new ATOM 0 HD1 PHE A 10 2.382 -12.281 11.654 1.00 2.18 H new ATOM 0 HD2 PHE A 10 5.926 -10.529 13.364 1.00 3.73 H new ATOM 0 HE1 PHE A 10 2.047 -13.614 13.721 1.00 2.44 H new ATOM 0 HE2 PHE A 10 5.664 -11.970 15.370 1.00 4.00 H new ATOM 0 HZ PHE A 10 3.702 -13.483 15.567 1.00 3.07 H new ATOM 161 N SER A 11 0.730 -9.784 11.807 1.00 1.63 N ATOM 162 CA SER A 11 -0.186 -9.944 12.930 1.00 1.85 C ATOM 163 C SER A 11 -1.508 -10.556 12.444 1.00 1.69 C ATOM 164 O SER A 11 -1.974 -10.154 11.371 1.00 1.72 O ATOM 165 CB SER A 11 -0.481 -8.598 13.594 1.00 2.33 C ATOM 166 OG SER A 11 0.346 -8.403 14.719 1.00 3.47 O ATOM 0 H SER A 11 0.302 -10.041 10.917 1.00 1.63 H new ATOM 0 HA SER A 11 0.288 -10.603 13.657 1.00 1.85 H new ATOM 0 HB2 SER A 11 -0.324 -7.792 12.877 1.00 2.33 H new ATOM 0 HB3 SER A 11 -1.528 -8.558 13.895 1.00 2.33 H new ATOM 0 HG SER A 11 1.286 -8.462 14.448 1.00 3.47 H new ATOM 172 N PRO A 12 -2.126 -11.476 13.212 1.00 2.10 N ATOM 173 CA PRO A 12 -3.305 -12.232 12.795 1.00 2.57 C ATOM 174 C PRO A 12 -4.638 -11.474 12.952 1.00 2.56 C ATOM 175 O PRO A 12 -5.689 -12.063 12.711 1.00 3.70 O ATOM 176 CB PRO A 12 -3.273 -13.491 13.674 1.00 3.20 C ATOM 177 CG PRO A 12 -2.696 -12.969 14.985 1.00 3.16 C ATOM 178 CD PRO A 12 -1.645 -11.976 14.497 1.00 2.59 C ATOM 0 HA PRO A 12 -3.264 -12.443 11.726 1.00 2.57 H new ATOM 0 HB2 PRO A 12 -4.268 -13.916 13.810 1.00 3.20 H new ATOM 0 HB3 PRO A 12 -2.649 -14.272 13.240 1.00 3.20 H new ATOM 0 HG2 PRO A 12 -3.455 -12.489 15.602 1.00 3.16 H new ATOM 0 HG3 PRO A 12 -2.256 -13.767 15.584 1.00 3.16 H new ATOM 0 HD2 PRO A 12 -1.518 -11.161 15.210 1.00 2.59 H new ATOM 0 HD3 PRO A 12 -0.674 -12.458 14.389 1.00 2.59 H new ATOM 186 N GLY A 13 -4.629 -10.202 13.374 1.00 1.73 N ATOM 187 CA GLY A 13 -5.849 -9.431 13.649 1.00 1.65 C ATOM 188 C GLY A 13 -6.701 -9.184 12.392 1.00 1.47 C ATOM 189 O GLY A 13 -6.134 -8.982 11.316 1.00 1.77 O ATOM 0 H GLY A 13 -3.770 -9.676 13.535 1.00 1.73 H new ATOM 0 HA2 GLY A 13 -6.448 -9.962 14.389 1.00 1.65 H new ATOM 0 HA3 GLY A 13 -5.575 -8.472 14.089 1.00 1.65 H new ATOM 193 N PRO A 14 -8.047 -9.152 12.514 1.00 1.60 N ATOM 194 CA PRO A 14 -8.975 -9.103 11.379 1.00 1.68 C ATOM 195 C PRO A 14 -8.889 -7.804 10.569 1.00 1.13 C ATOM 196 O PRO A 14 -9.353 -7.772 9.431 1.00 1.25 O ATOM 197 CB PRO A 14 -10.369 -9.305 11.982 1.00 2.29 C ATOM 198 CG PRO A 14 -10.220 -8.773 13.406 1.00 2.45 C ATOM 199 CD PRO A 14 -8.793 -9.181 13.765 1.00 2.15 C ATOM 0 HA PRO A 14 -8.724 -9.877 10.654 1.00 1.68 H new ATOM 0 HB2 PRO A 14 -11.130 -8.757 11.426 1.00 2.29 H new ATOM 0 HB3 PRO A 14 -10.662 -10.355 11.974 1.00 2.29 H new ATOM 0 HG2 PRO A 14 -10.357 -7.693 13.452 1.00 2.45 H new ATOM 0 HG3 PRO A 14 -10.951 -9.216 14.083 1.00 2.45 H new ATOM 0 HD2 PRO A 14 -8.362 -8.495 14.494 1.00 2.15 H new ATOM 0 HD3 PRO A 14 -8.771 -10.175 14.211 1.00 2.15 H new ATOM 207 N ASN A 15 -8.254 -6.760 11.110 1.00 0.80 N ATOM 208 CA ASN A 15 -7.724 -5.642 10.346 1.00 0.68 C ATOM 209 C ASN A 15 -6.346 -5.190 10.873 1.00 0.98 C ATOM 210 O ASN A 15 -5.918 -5.603 11.953 1.00 1.14 O ATOM 211 CB ASN A 15 -8.763 -4.505 10.317 1.00 1.10 C ATOM 212 CG ASN A 15 -9.116 -3.886 11.672 1.00 1.84 C ATOM 213 OD1 ASN A 15 -8.390 -3.976 12.647 1.00 2.21 O ATOM 214 ND2 ASN A 15 -10.254 -3.219 11.762 1.00 2.83 N ATOM 0 H ASN A 15 -8.094 -6.673 12.114 1.00 0.80 H new ATOM 0 HA ASN A 15 -7.547 -5.960 9.318 1.00 0.68 H new ATOM 0 HB2 ASN A 15 -8.390 -3.715 9.665 1.00 1.10 H new ATOM 0 HB3 ASN A 15 -9.678 -4.887 9.864 1.00 1.10 H new ATOM 0 HD21 ASN A 15 -10.521 -2.783 12.644 1.00 2.83 H new ATOM 0 HD22 ASN A 15 -10.865 -3.141 10.949 1.00 2.83 H new ATOM 221 N ALA A 16 -5.673 -4.355 10.064 1.00 1.31 N ATOM 222 CA ALA A 16 -4.426 -3.600 10.290 1.00 2.02 C ATOM 223 C ALA A 16 -3.801 -3.203 8.937 1.00 1.40 C ATOM 224 O ALA A 16 -4.284 -3.610 7.878 1.00 0.82 O ATOM 225 CB ALA A 16 -3.444 -4.312 11.244 1.00 3.26 C ATOM 0 H ALA A 16 -6.031 -4.171 9.127 1.00 1.31 H new ATOM 0 HA ALA A 16 -4.678 -2.681 10.819 1.00 2.02 H new ATOM 0 HB1 ALA A 16 -2.549 -3.702 11.366 1.00 3.26 H new ATOM 0 HB2 ALA A 16 -3.920 -4.457 12.214 1.00 3.26 H new ATOM 0 HB3 ALA A 16 -3.169 -5.281 10.827 1.00 3.26 H new ATOM 231 N ALA A 17 -2.730 -2.410 8.957 1.00 2.07 N ATOM 232 CA ALA A 17 -2.071 -1.907 7.753 1.00 1.66 C ATOM 233 C ALA A 17 -1.228 -2.961 7.012 1.00 1.69 C ATOM 234 O ALA A 17 -1.006 -4.063 7.524 1.00 1.99 O ATOM 235 CB ALA A 17 -1.223 -0.695 8.155 1.00 1.53 C ATOM 0 H ALA A 17 -2.290 -2.095 9.822 1.00 2.07 H new ATOM 0 HA ALA A 17 -2.842 -1.625 7.036 1.00 1.66 H new ATOM 0 HB1 ALA A 17 -0.718 -0.297 7.275 1.00 1.53 H new ATOM 0 HB2 ALA A 17 -1.867 0.074 8.583 1.00 1.53 H new ATOM 0 HB3 ALA A 17 -0.481 -0.999 8.893 1.00 1.53 H new ATOM 241 N ALA A 18 -0.751 -2.590 5.825 1.00 1.57 N ATOM 242 CA ALA A 18 0.220 -3.276 4.976 1.00 1.59 C ATOM 243 C ALA A 18 0.912 -2.245 4.065 1.00 1.24 C ATOM 244 O ALA A 18 0.394 -1.137 3.865 1.00 1.30 O ATOM 245 CB ALA A 18 -0.498 -4.366 4.171 1.00 1.90 C ATOM 0 H ALA A 18 -1.064 -1.720 5.394 1.00 1.57 H new ATOM 0 HA ALA A 18 0.990 -3.758 5.579 1.00 1.59 H new ATOM 0 HB1 ALA A 18 0.221 -4.882 3.535 1.00 1.90 H new ATOM 0 HB2 ALA A 18 -0.956 -5.081 4.854 1.00 1.90 H new ATOM 0 HB3 ALA A 18 -1.270 -3.911 3.550 1.00 1.90 H new ATOM 251 N TYR A 19 2.081 -2.597 3.529 1.00 1.01 N ATOM 252 CA TYR A 19 3.015 -1.640 2.932 1.00 0.99 C ATOM 253 C TYR A 19 3.743 -2.210 1.710 1.00 1.04 C ATOM 254 O TYR A 19 3.915 -3.420 1.556 1.00 1.12 O ATOM 255 CB TYR A 19 4.063 -1.204 3.977 1.00 0.93 C ATOM 256 CG TYR A 19 3.535 -1.019 5.385 1.00 0.91 C ATOM 257 CD1 TYR A 19 2.946 0.198 5.780 1.00 2.04 C ATOM 258 CD2 TYR A 19 3.597 -2.094 6.287 1.00 1.75 C ATOM 259 CE1 TYR A 19 2.439 0.338 7.086 1.00 2.15 C ATOM 260 CE2 TYR A 19 3.116 -1.958 7.598 1.00 1.70 C ATOM 261 CZ TYR A 19 2.536 -0.736 8.004 1.00 1.04 C ATOM 262 OH TYR A 19 2.063 -0.586 9.271 1.00 1.18 O ATOM 0 H TYR A 19 2.410 -3.562 3.496 1.00 1.01 H new ATOM 0 HA TYR A 19 2.422 -0.787 2.602 1.00 0.99 H new ATOM 0 HB2 TYR A 19 4.860 -1.947 4.000 1.00 0.93 H new ATOM 0 HB3 TYR A 19 4.511 -0.266 3.649 1.00 0.93 H new ATOM 0 HD1 TYR A 19 2.884 1.021 5.083 1.00 2.04 H new ATOM 0 HD2 TYR A 19 4.019 -3.035 5.968 1.00 1.75 H new ATOM 0 HE1 TYR A 19 1.976 1.266 7.388 1.00 2.15 H new ATOM 0 HE2 TYR A 19 3.189 -2.782 8.292 1.00 1.70 H new ATOM 0 HH TYR A 19 1.757 -1.453 9.611 1.00 1.18 H new ATOM 272 N LEU A 20 4.241 -1.301 0.868 1.00 1.05 N ATOM 273 CA LEU A 20 5.081 -1.632 -0.276 1.00 1.07 C ATOM 274 C LEU A 20 5.878 -0.448 -0.810 1.00 1.16 C ATOM 275 O LEU A 20 5.504 0.714 -0.647 1.00 1.27 O ATOM 276 CB LEU A 20 4.301 -2.356 -1.398 1.00 1.05 C ATOM 277 CG LEU A 20 3.454 -1.480 -2.342 1.00 0.97 C ATOM 278 CD1 LEU A 20 2.908 -2.355 -3.474 1.00 1.31 C ATOM 279 CD2 LEU A 20 2.287 -0.811 -1.608 1.00 1.85 C ATOM 0 H LEU A 20 4.067 -0.301 0.967 1.00 1.05 H new ATOM 0 HA LEU A 20 5.817 -2.339 0.108 1.00 1.07 H new ATOM 0 HB2 LEU A 20 5.017 -2.912 -2.004 1.00 1.05 H new ATOM 0 HB3 LEU A 20 3.641 -3.088 -0.933 1.00 1.05 H new ATOM 0 HG LEU A 20 4.093 -0.690 -2.738 1.00 0.97 H new ATOM 0 HD11 LEU A 20 2.307 -1.745 -4.148 1.00 1.31 H new ATOM 0 HD12 LEU A 20 3.738 -2.795 -4.026 1.00 1.31 H new ATOM 0 HD13 LEU A 20 2.290 -3.149 -3.055 1.00 1.31 H new ATOM 0 HD21 LEU A 20 1.716 -0.203 -2.310 1.00 1.85 H new ATOM 0 HD22 LEU A 20 1.639 -1.576 -1.181 1.00 1.85 H new ATOM 0 HD23 LEU A 20 2.674 -0.177 -0.811 1.00 1.85 H new ATOM 291 N THR A 21 6.934 -0.795 -1.537 1.00 1.17 N ATOM 292 CA THR A 21 7.667 0.096 -2.427 1.00 1.22 C ATOM 293 C THR A 21 7.665 -0.540 -3.806 1.00 1.09 C ATOM 294 O THR A 21 7.662 -1.766 -3.938 1.00 1.44 O ATOM 295 CB THR A 21 9.086 0.287 -1.914 1.00 1.82 C ATOM 296 OG1 THR A 21 9.010 0.737 -0.585 1.00 2.23 O ATOM 297 CG2 THR A 21 9.923 1.290 -2.688 1.00 2.03 C ATOM 0 H THR A 21 7.317 -1.740 -1.522 1.00 1.17 H new ATOM 0 HA THR A 21 7.201 1.080 -2.471 1.00 1.22 H new ATOM 0 HB THR A 21 9.578 -0.679 -2.026 1.00 1.82 H new ATOM 0 HG1 THR A 21 9.143 -0.019 0.024 1.00 2.23 H new ATOM 0 HG21 THR A 21 10.917 1.354 -2.244 1.00 2.03 H new ATOM 0 HG22 THR A 21 10.009 0.968 -3.726 1.00 2.03 H new ATOM 0 HG23 THR A 21 9.445 2.269 -2.650 1.00 2.03 H new ATOM 305 N LEU A 22 7.655 0.303 -4.830 1.00 1.10 N ATOM 306 CA LEU A 22 7.549 -0.083 -6.230 1.00 1.52 C ATOM 307 C LEU A 22 8.523 0.713 -7.091 1.00 1.53 C ATOM 308 O LEU A 22 8.861 1.850 -6.774 1.00 1.43 O ATOM 309 CB LEU A 22 6.107 0.089 -6.714 1.00 1.79 C ATOM 310 CG LEU A 22 5.747 -1.086 -7.640 1.00 2.75 C ATOM 311 CD1 LEU A 22 5.399 -2.346 -6.834 1.00 4.34 C ATOM 312 CD2 LEU A 22 4.574 -0.677 -8.506 1.00 2.17 C ATOM 0 H LEU A 22 7.723 1.313 -4.703 1.00 1.10 H new ATOM 0 HA LEU A 22 7.818 -1.135 -6.324 1.00 1.52 H new ATOM 0 HB2 LEU A 22 5.426 0.121 -5.864 1.00 1.79 H new ATOM 0 HB3 LEU A 22 5.998 1.034 -7.245 1.00 1.79 H new ATOM 0 HG LEU A 22 6.609 -1.325 -8.263 1.00 2.75 H new ATOM 0 HD11 LEU A 22 5.149 -3.158 -7.517 1.00 4.34 H new ATOM 0 HD12 LEU A 22 6.255 -2.635 -6.224 1.00 4.34 H new ATOM 0 HD13 LEU A 22 4.546 -2.140 -6.188 1.00 4.34 H new ATOM 0 HD21 LEU A 22 4.307 -1.500 -9.169 1.00 2.17 H new ATOM 0 HD22 LEU A 22 3.722 -0.430 -7.872 1.00 2.17 H new ATOM 0 HD23 LEU A 22 4.848 0.194 -9.101 1.00 2.17 H new ATOM 324 N GLU A 23 8.921 0.125 -8.210 1.00 1.71 N ATOM 325 CA GLU A 23 9.655 0.749 -9.305 1.00 1.70 C ATOM 326 C GLU A 23 8.708 0.883 -10.495 1.00 1.45 C ATOM 327 O GLU A 23 8.004 -0.068 -10.838 1.00 1.49 O ATOM 328 CB GLU A 23 10.900 -0.079 -9.692 1.00 1.91 C ATOM 329 CG GLU A 23 10.664 -1.592 -9.571 1.00 1.98 C ATOM 330 CD GLU A 23 11.623 -2.469 -10.364 1.00 2.65 C ATOM 331 OE1 GLU A 23 12.843 -2.494 -10.105 1.00 2.95 O ATOM 332 OE2 GLU A 23 11.111 -3.318 -11.127 1.00 3.98 O ATOM 0 H GLU A 23 8.729 -0.860 -8.390 1.00 1.71 H new ATOM 0 HA GLU A 23 10.011 1.731 -8.992 1.00 1.70 H new ATOM 0 HB2 GLU A 23 11.186 0.160 -10.716 1.00 1.91 H new ATOM 0 HB3 GLU A 23 11.735 0.207 -9.053 1.00 1.91 H new ATOM 0 HG2 GLU A 23 10.730 -1.870 -8.519 1.00 1.98 H new ATOM 0 HG3 GLU A 23 9.646 -1.811 -9.895 1.00 1.98 H new ATOM 339 N ASN A 24 8.721 2.043 -11.149 1.00 1.32 N ATOM 340 CA ASN A 24 8.211 2.178 -12.509 1.00 1.25 C ATOM 341 C ASN A 24 9.382 2.228 -13.507 1.00 1.17 C ATOM 342 O ASN A 24 9.899 3.313 -13.766 1.00 0.97 O ATOM 343 CB ASN A 24 7.338 3.436 -12.626 1.00 1.23 C ATOM 344 CG ASN A 24 6.693 3.506 -14.002 1.00 1.23 C ATOM 345 OD1 ASN A 24 6.658 2.541 -14.755 1.00 1.30 O ATOM 346 ND2 ASN A 24 6.155 4.653 -14.359 1.00 1.22 N ATOM 0 H ASN A 24 9.083 2.910 -10.753 1.00 1.32 H new ATOM 0 HA ASN A 24 7.593 1.312 -12.746 1.00 1.25 H new ATOM 0 HB2 ASN A 24 6.567 3.424 -11.856 1.00 1.23 H new ATOM 0 HB3 ASN A 24 7.945 4.325 -12.456 1.00 1.23 H new ATOM 0 HD21 ASN A 24 5.704 4.743 -15.269 1.00 1.22 H new ATOM 0 HD22 ASN A 24 6.189 5.451 -13.725 1.00 1.22 H new ATOM 353 N PRO A 25 9.838 1.092 -14.064 1.00 1.41 N ATOM 354 CA PRO A 25 10.928 1.082 -15.038 1.00 1.42 C ATOM 355 C PRO A 25 10.500 1.541 -16.441 1.00 1.40 C ATOM 356 O PRO A 25 11.367 1.784 -17.282 1.00 1.38 O ATOM 357 CB PRO A 25 11.422 -0.369 -15.050 1.00 1.68 C ATOM 358 CG PRO A 25 10.157 -1.166 -14.725 1.00 1.85 C ATOM 359 CD PRO A 25 9.445 -0.268 -13.720 1.00 1.72 C ATOM 0 HA PRO A 25 11.705 1.792 -14.756 1.00 1.42 H new ATOM 0 HB2 PRO A 25 11.836 -0.646 -16.019 1.00 1.68 H new ATOM 0 HB3 PRO A 25 12.205 -0.535 -14.310 1.00 1.68 H new ATOM 0 HG2 PRO A 25 9.550 -1.341 -15.613 1.00 1.85 H new ATOM 0 HG3 PRO A 25 10.391 -2.142 -14.301 1.00 1.85 H new ATOM 0 HD2 PRO A 25 8.364 -0.391 -13.781 1.00 1.72 H new ATOM 0 HD3 PRO A 25 9.736 -0.514 -12.699 1.00 1.72 H new ATOM 367 N GLY A 26 9.194 1.679 -16.707 1.00 1.44 N ATOM 368 CA GLY A 26 8.668 2.090 -18.010 1.00 1.48 C ATOM 369 C GLY A 26 8.798 3.589 -18.265 1.00 1.35 C ATOM 370 O GLY A 26 9.029 4.383 -17.356 1.00 1.20 O ATOM 0 H GLY A 26 8.467 1.506 -16.013 1.00 1.44 H new ATOM 0 HA2 GLY A 26 9.195 1.547 -18.795 1.00 1.48 H new ATOM 0 HA3 GLY A 26 7.618 1.806 -18.076 1.00 1.48 H new ATOM 374 N ASP A 27 8.643 3.960 -19.533 1.00 1.49 N ATOM 375 CA ASP A 27 8.772 5.330 -20.057 1.00 1.44 C ATOM 376 C ASP A 27 7.457 6.135 -20.012 1.00 1.45 C ATOM 377 O ASP A 27 7.416 7.291 -20.424 1.00 1.46 O ATOM 378 CB ASP A 27 9.356 5.240 -21.478 1.00 1.53 C ATOM 379 CG ASP A 27 10.748 4.601 -21.436 1.00 2.01 C ATOM 380 OD1 ASP A 27 10.827 3.357 -21.316 1.00 2.90 O ATOM 381 OD2 ASP A 27 11.748 5.337 -21.303 1.00 2.52 O ATOM 0 H ASP A 27 8.413 3.286 -20.264 1.00 1.49 H new ATOM 0 HA ASP A 27 9.446 5.891 -19.410 1.00 1.44 H new ATOM 0 HB2 ASP A 27 8.696 4.650 -22.114 1.00 1.53 H new ATOM 0 HB3 ASP A 27 9.417 6.235 -21.918 1.00 1.53 H new ATOM 386 N LEU A 28 6.389 5.548 -19.461 1.00 1.50 N ATOM 387 CA LEU A 28 5.096 6.187 -19.221 1.00 1.49 C ATOM 388 C LEU A 28 4.688 6.060 -17.734 1.00 1.37 C ATOM 389 O LEU A 28 5.236 5.208 -17.028 1.00 1.33 O ATOM 390 CB LEU A 28 4.107 5.633 -20.266 1.00 1.61 C ATOM 391 CG LEU A 28 3.783 4.125 -20.222 1.00 1.80 C ATOM 392 CD1 LEU A 28 2.848 3.764 -19.059 1.00 2.21 C ATOM 393 CD2 LEU A 28 3.089 3.732 -21.534 1.00 1.85 C ATOM 0 H LEU A 28 6.405 4.574 -19.158 1.00 1.50 H new ATOM 0 HA LEU A 28 5.122 7.267 -19.367 1.00 1.49 H new ATOM 0 HB2 LEU A 28 3.170 6.180 -20.163 1.00 1.61 H new ATOM 0 HB3 LEU A 28 4.502 5.862 -21.256 1.00 1.61 H new ATOM 0 HG LEU A 28 4.722 3.589 -20.084 1.00 1.80 H new ATOM 0 HD11 LEU A 28 2.650 2.692 -19.071 1.00 2.21 H new ATOM 0 HD12 LEU A 28 3.320 4.035 -18.115 1.00 2.21 H new ATOM 0 HD13 LEU A 28 1.909 4.308 -19.165 1.00 2.21 H new ATOM 0 HD21 LEU A 28 2.854 2.668 -21.517 1.00 1.85 H new ATOM 0 HD22 LEU A 28 2.168 4.305 -21.645 1.00 1.85 H new ATOM 0 HD23 LEU A 28 3.751 3.944 -22.373 1.00 1.85 H new ATOM 405 N PRO A 29 3.767 6.898 -17.214 1.00 1.33 N ATOM 406 CA PRO A 29 3.565 7.060 -15.775 1.00 1.20 C ATOM 407 C PRO A 29 2.726 5.919 -15.160 1.00 1.31 C ATOM 408 O PRO A 29 2.036 5.177 -15.870 1.00 1.63 O ATOM 409 CB PRO A 29 2.867 8.416 -15.622 1.00 1.19 C ATOM 410 CG PRO A 29 2.080 8.563 -16.920 1.00 1.39 C ATOM 411 CD PRO A 29 2.960 7.859 -17.952 1.00 1.43 C ATOM 0 HA PRO A 29 4.513 7.022 -15.239 1.00 1.20 H new ATOM 0 HB2 PRO A 29 2.211 8.433 -14.751 1.00 1.19 H new ATOM 0 HB3 PRO A 29 3.586 9.225 -15.495 1.00 1.19 H new ATOM 0 HG2 PRO A 29 1.096 8.099 -16.848 1.00 1.39 H new ATOM 0 HG3 PRO A 29 1.920 9.610 -17.176 1.00 1.39 H new ATOM 0 HD2 PRO A 29 2.351 7.358 -18.705 1.00 1.43 H new ATOM 0 HD3 PRO A 29 3.592 8.575 -18.477 1.00 1.43 H new ATOM 419 N LEU A 30 2.729 5.825 -13.822 1.00 1.09 N ATOM 420 CA LEU A 30 1.772 5.023 -13.048 1.00 1.05 C ATOM 421 C LEU A 30 0.794 5.919 -12.289 1.00 0.80 C ATOM 422 O LEU A 30 1.119 7.034 -11.900 1.00 0.85 O ATOM 423 CB LEU A 30 2.471 4.095 -12.050 1.00 1.26 C ATOM 424 CG LEU A 30 3.346 3.029 -12.715 1.00 1.58 C ATOM 425 CD1 LEU A 30 3.967 2.175 -11.616 1.00 3.03 C ATOM 426 CD2 LEU A 30 2.632 2.115 -13.718 1.00 1.49 C ATOM 0 H LEU A 30 3.408 6.313 -13.238 1.00 1.09 H new ATOM 0 HA LEU A 30 1.229 4.412 -13.769 1.00 1.05 H new ATOM 0 HB2 LEU A 30 3.088 4.694 -11.380 1.00 1.26 H new ATOM 0 HB3 LEU A 30 1.718 3.603 -11.435 1.00 1.26 H new ATOM 0 HG LEU A 30 4.086 3.570 -13.304 1.00 1.58 H new ATOM 0 HD11 LEU A 30 4.596 1.406 -12.064 1.00 3.03 H new ATOM 0 HD12 LEU A 30 4.572 2.805 -10.964 1.00 3.03 H new ATOM 0 HD13 LEU A 30 3.177 1.702 -11.032 1.00 3.03 H new ATOM 0 HD21 LEU A 30 3.344 1.399 -14.128 1.00 1.49 H new ATOM 0 HD22 LEU A 30 1.828 1.579 -13.214 1.00 1.49 H new ATOM 0 HD23 LEU A 30 2.216 2.717 -14.526 1.00 1.49 H new ATOM 438 N ARG A 31 -0.379 5.356 -12.008 1.00 0.96 N ATOM 439 CA ARG A 31 -1.419 5.911 -11.134 1.00 0.81 C ATOM 440 C ARG A 31 -2.183 4.775 -10.460 1.00 0.69 C ATOM 441 O ARG A 31 -2.933 4.072 -11.128 1.00 0.66 O ATOM 442 CB ARG A 31 -2.332 6.850 -11.931 1.00 0.87 C ATOM 443 CG ARG A 31 -3.488 7.397 -11.076 1.00 0.72 C ATOM 444 CD ARG A 31 -3.984 8.735 -11.615 1.00 0.94 C ATOM 445 NE ARG A 31 -4.438 8.624 -13.012 1.00 1.77 N ATOM 446 CZ ARG A 31 -4.096 9.421 -14.019 1.00 2.14 C ATOM 447 NH1 ARG A 31 -3.257 10.427 -13.903 1.00 2.13 N ATOM 448 NH2 ARG A 31 -4.624 9.194 -15.204 1.00 3.67 N ATOM 0 H ARG A 31 -0.647 4.454 -12.402 1.00 0.96 H new ATOM 0 HA ARG A 31 -0.965 6.509 -10.344 1.00 0.81 H new ATOM 0 HB2 ARG A 31 -1.745 7.682 -12.320 1.00 0.87 H new ATOM 0 HB3 ARG A 31 -2.738 6.317 -12.790 1.00 0.87 H new ATOM 0 HG2 ARG A 31 -4.308 6.679 -11.066 1.00 0.72 H new ATOM 0 HG3 ARG A 31 -3.156 7.517 -10.045 1.00 0.72 H new ATOM 0 HD2 ARG A 31 -4.803 9.097 -10.994 1.00 0.94 H new ATOM 0 HD3 ARG A 31 -3.184 9.473 -11.550 1.00 0.94 H new ATOM 0 HE ARG A 31 -5.078 7.860 -13.228 1.00 1.77 H new ATOM 0 HH11 ARG A 31 -2.828 10.632 -13.001 1.00 2.13 H new ATOM 0 HH12 ARG A 31 -3.035 11.002 -14.715 1.00 2.13 H new ATOM 0 HH21 ARG A 31 -5.278 8.422 -15.331 1.00 3.67 H new ATOM 0 HH22 ARG A 31 -4.379 9.790 -15.994 1.00 3.67 H new ATOM 462 N LEU A 32 -1.916 4.551 -9.175 1.00 0.67 N ATOM 463 CA LEU A 32 -2.330 3.405 -8.362 1.00 0.61 C ATOM 464 C LEU A 32 -3.662 3.712 -7.668 1.00 0.56 C ATOM 465 O LEU A 32 -3.698 4.548 -6.771 1.00 0.66 O ATOM 466 CB LEU A 32 -1.195 3.154 -7.349 1.00 0.66 C ATOM 467 CG LEU A 32 -1.427 2.011 -6.333 1.00 0.63 C ATOM 468 CD1 LEU A 32 -1.315 0.634 -6.998 1.00 0.69 C ATOM 469 CD2 LEU A 32 -0.383 2.109 -5.211 1.00 0.82 C ATOM 0 H LEU A 32 -1.363 5.215 -8.633 1.00 0.67 H new ATOM 0 HA LEU A 32 -2.493 2.512 -8.966 1.00 0.61 H new ATOM 0 HB2 LEU A 32 -0.282 2.939 -7.904 1.00 0.66 H new ATOM 0 HB3 LEU A 32 -1.021 4.076 -6.794 1.00 0.66 H new ATOM 0 HG LEU A 32 -2.435 2.117 -5.931 1.00 0.63 H new ATOM 0 HD11 LEU A 32 -1.484 -0.144 -6.254 1.00 0.69 H new ATOM 0 HD12 LEU A 32 -2.062 0.549 -7.787 1.00 0.69 H new ATOM 0 HD13 LEU A 32 -0.320 0.517 -7.426 1.00 0.69 H new ATOM 0 HD21 LEU A 32 -0.544 1.305 -4.493 1.00 0.82 H new ATOM 0 HD22 LEU A 32 0.617 2.022 -5.636 1.00 0.82 H new ATOM 0 HD23 LEU A 32 -0.480 3.070 -4.707 1.00 0.82 H new ATOM 481 N VAL A 33 -4.728 3.019 -8.069 1.00 0.47 N ATOM 482 CA VAL A 33 -6.106 3.220 -7.566 1.00 0.48 C ATOM 483 C VAL A 33 -6.492 2.219 -6.469 1.00 0.51 C ATOM 484 O VAL A 33 -7.472 2.435 -5.761 1.00 0.59 O ATOM 485 CB VAL A 33 -7.160 3.167 -8.704 1.00 0.52 C ATOM 486 CG1 VAL A 33 -7.039 4.392 -9.621 1.00 0.64 C ATOM 487 CG2 VAL A 33 -7.071 1.900 -9.573 1.00 0.53 C ATOM 0 H VAL A 33 -4.666 2.281 -8.770 1.00 0.47 H new ATOM 0 HA VAL A 33 -6.106 4.219 -7.131 1.00 0.48 H new ATOM 0 HB VAL A 33 -8.125 3.156 -8.197 1.00 0.52 H new ATOM 0 HG11 VAL A 33 -7.788 4.331 -10.410 1.00 0.64 H new ATOM 0 HG12 VAL A 33 -7.198 5.300 -9.039 1.00 0.64 H new ATOM 0 HG13 VAL A 33 -6.044 4.416 -10.066 1.00 0.64 H new ATOM 0 HG21 VAL A 33 -7.839 1.934 -10.346 1.00 0.53 H new ATOM 0 HG22 VAL A 33 -6.088 1.847 -10.040 1.00 0.53 H new ATOM 0 HG23 VAL A 33 -7.224 1.019 -8.949 1.00 0.53 H new ATOM 497 N GLY A 34 -5.733 1.127 -6.306 1.00 0.50 N ATOM 498 CA GLY A 34 -5.943 0.155 -5.235 1.00 0.57 C ATOM 499 C GLY A 34 -5.044 -1.066 -5.368 1.00 0.51 C ATOM 500 O GLY A 34 -4.090 -1.068 -6.146 1.00 0.44 O ATOM 0 H GLY A 34 -4.952 0.896 -6.920 1.00 0.50 H new ATOM 0 HA2 GLY A 34 -5.759 0.634 -4.273 1.00 0.57 H new ATOM 0 HA3 GLY A 34 -6.985 -0.164 -5.238 1.00 0.57 H new ATOM 504 N ALA A 35 -5.376 -2.126 -4.633 1.00 0.60 N ATOM 505 CA ALA A 35 -4.815 -3.459 -4.830 1.00 0.53 C ATOM 506 C ALA A 35 -5.826 -4.553 -4.440 1.00 0.59 C ATOM 507 O ALA A 35 -6.873 -4.228 -3.882 1.00 0.83 O ATOM 508 CB ALA A 35 -3.487 -3.573 -4.080 1.00 0.68 C ATOM 0 H ALA A 35 -6.053 -2.081 -3.872 1.00 0.60 H new ATOM 0 HA ALA A 35 -4.607 -3.614 -5.889 1.00 0.53 H new ATOM 0 HB1 ALA A 35 -3.070 -4.569 -4.228 1.00 0.68 H new ATOM 0 HB2 ALA A 35 -2.789 -2.827 -4.460 1.00 0.68 H new ATOM 0 HB3 ALA A 35 -3.654 -3.404 -3.016 1.00 0.68 H new ATOM 514 N ARG A 36 -5.524 -5.834 -4.704 1.00 0.54 N ATOM 515 CA ARG A 36 -6.322 -6.976 -4.212 1.00 0.59 C ATOM 516 C ARG A 36 -5.473 -8.233 -4.063 1.00 0.55 C ATOM 517 O ARG A 36 -4.550 -8.456 -4.839 1.00 0.77 O ATOM 518 CB ARG A 36 -7.630 -7.200 -5.012 1.00 1.10 C ATOM 519 CG ARG A 36 -7.524 -7.381 -6.538 1.00 1.25 C ATOM 520 CD ARG A 36 -7.092 -8.765 -7.048 1.00 2.49 C ATOM 521 NE ARG A 36 -8.152 -9.792 -6.979 1.00 3.01 N ATOM 522 CZ ARG A 36 -8.096 -10.968 -7.603 1.00 4.15 C ATOM 523 NH1 ARG A 36 -7.029 -11.365 -8.264 1.00 5.06 N ATOM 524 NH2 ARG A 36 -9.128 -11.785 -7.576 1.00 5.07 N ATOM 0 H ARG A 36 -4.719 -6.111 -5.265 1.00 0.54 H new ATOM 0 HA ARG A 36 -6.660 -6.714 -3.209 1.00 0.59 H new ATOM 0 HB2 ARG A 36 -8.123 -8.083 -4.605 1.00 1.10 H new ATOM 0 HB3 ARG A 36 -8.287 -6.351 -4.822 1.00 1.10 H new ATOM 0 HG2 ARG A 36 -8.495 -7.147 -6.975 1.00 1.25 H new ATOM 0 HG3 ARG A 36 -6.817 -6.644 -6.918 1.00 1.25 H new ATOM 0 HD2 ARG A 36 -6.759 -8.672 -8.082 1.00 2.49 H new ATOM 0 HD3 ARG A 36 -6.235 -9.103 -6.466 1.00 2.49 H new ATOM 0 HE ARG A 36 -8.979 -9.588 -6.418 1.00 3.01 H new ATOM 0 HH11 ARG A 36 -6.206 -10.765 -8.311 1.00 5.06 H new ATOM 0 HH12 ARG A 36 -7.025 -12.273 -8.729 1.00 5.06 H new ATOM 0 HH21 ARG A 36 -9.976 -11.519 -7.076 1.00 5.07 H new ATOM 0 HH22 ARG A 36 -9.079 -12.684 -8.055 1.00 5.07 H new ATOM 538 N THR A 37 -5.765 -9.042 -3.044 1.00 0.47 N ATOM 539 CA THR A 37 -4.921 -10.140 -2.545 1.00 0.50 C ATOM 540 C THR A 37 -5.819 -11.324 -2.163 1.00 0.55 C ATOM 541 O THR A 37 -6.938 -11.061 -1.719 1.00 0.56 O ATOM 542 CB THR A 37 -4.132 -9.652 -1.334 1.00 0.54 C ATOM 543 OG1 THR A 37 -3.349 -10.720 -0.872 1.00 0.65 O ATOM 544 CG2 THR A 37 -4.962 -9.096 -0.175 1.00 0.59 C ATOM 0 H THR A 37 -6.634 -8.950 -2.517 1.00 0.47 H new ATOM 0 HA THR A 37 -4.219 -10.462 -3.315 1.00 0.50 H new ATOM 0 HB THR A 37 -3.540 -8.805 -1.680 1.00 0.54 H new ATOM 0 HG1 THR A 37 -2.499 -10.737 -1.359 1.00 0.65 H new ATOM 0 HG21 THR A 37 -4.298 -8.780 0.629 1.00 0.59 H new ATOM 0 HG22 THR A 37 -5.545 -8.242 -0.521 1.00 0.59 H new ATOM 0 HG23 THR A 37 -5.636 -9.869 0.194 1.00 0.59 H new ATOM 552 N PRO A 38 -5.379 -12.596 -2.261 1.00 0.68 N ATOM 553 CA PRO A 38 -6.164 -13.729 -1.777 1.00 0.79 C ATOM 554 C PRO A 38 -6.288 -13.770 -0.253 1.00 0.86 C ATOM 555 O PRO A 38 -7.189 -14.429 0.258 1.00 1.00 O ATOM 556 CB PRO A 38 -5.431 -14.965 -2.289 1.00 0.93 C ATOM 557 CG PRO A 38 -3.977 -14.524 -2.386 1.00 0.89 C ATOM 558 CD PRO A 38 -4.120 -13.071 -2.826 1.00 0.77 C ATOM 0 HA PRO A 38 -7.190 -13.662 -2.138 1.00 0.79 H new ATOM 0 HB2 PRO A 38 -5.547 -15.808 -1.607 1.00 0.93 H new ATOM 0 HB3 PRO A 38 -5.816 -15.283 -3.258 1.00 0.93 H new ATOM 0 HG2 PRO A 38 -3.458 -14.613 -1.431 1.00 0.89 H new ATOM 0 HG3 PRO A 38 -3.417 -15.117 -3.109 1.00 0.89 H new ATOM 0 HD2 PRO A 38 -3.282 -12.472 -2.469 1.00 0.77 H new ATOM 0 HD3 PRO A 38 -4.127 -12.992 -3.913 1.00 0.77 H new ATOM 566 N VAL A 39 -5.407 -13.077 0.475 1.00 0.83 N ATOM 567 CA VAL A 39 -5.406 -13.107 1.951 1.00 0.92 C ATOM 568 C VAL A 39 -6.591 -12.367 2.602 1.00 1.12 C ATOM 569 O VAL A 39 -6.708 -12.428 3.825 1.00 1.32 O ATOM 570 CB VAL A 39 -4.053 -12.673 2.592 1.00 0.81 C ATOM 571 CG1 VAL A 39 -2.879 -13.392 1.906 1.00 0.83 C ATOM 572 CG2 VAL A 39 -3.797 -11.159 2.617 1.00 0.82 C ATOM 0 H VAL A 39 -4.681 -12.485 0.070 1.00 0.83 H new ATOM 0 HA VAL A 39 -5.540 -14.165 2.177 1.00 0.92 H new ATOM 0 HB VAL A 39 -4.130 -12.971 3.638 1.00 0.81 H new ATOM 0 HG11 VAL A 39 -1.942 -13.078 2.365 1.00 0.83 H new ATOM 0 HG12 VAL A 39 -2.996 -14.470 2.020 1.00 0.83 H new ATOM 0 HG13 VAL A 39 -2.866 -13.139 0.846 1.00 0.83 H new ATOM 0 HG21 VAL A 39 -2.831 -10.961 3.082 1.00 0.82 H new ATOM 0 HG22 VAL A 39 -3.795 -10.774 1.597 1.00 0.82 H new ATOM 0 HG23 VAL A 39 -4.583 -10.666 3.189 1.00 0.82 H new ATOM 582 N ALA A 40 -7.476 -11.685 1.852 1.00 1.16 N ATOM 583 CA ALA A 40 -8.449 -10.748 2.424 1.00 1.23 C ATOM 584 C ALA A 40 -9.769 -10.606 1.649 1.00 1.22 C ATOM 585 O ALA A 40 -9.971 -11.221 0.602 1.00 1.48 O ATOM 586 CB ALA A 40 -7.743 -9.397 2.667 1.00 1.26 C ATOM 0 H ALA A 40 -7.533 -11.770 0.837 1.00 1.16 H new ATOM 0 HA ALA A 40 -8.786 -11.171 3.371 1.00 1.23 H new ATOM 0 HB1 ALA A 40 -8.452 -8.687 3.093 1.00 1.26 H new ATOM 0 HB2 ALA A 40 -6.913 -9.540 3.359 1.00 1.26 H new ATOM 0 HB3 ALA A 40 -7.365 -9.009 1.721 1.00 1.26 H new ATOM 592 N GLU A 41 -10.680 -9.840 2.252 1.00 1.08 N ATOM 593 CA GLU A 41 -12.040 -9.553 1.782 1.00 1.17 C ATOM 594 C GLU A 41 -12.145 -8.096 1.299 1.00 1.19 C ATOM 595 O GLU A 41 -12.717 -7.817 0.247 1.00 1.80 O ATOM 596 CB GLU A 41 -12.997 -9.788 2.965 1.00 1.19 C ATOM 597 CG GLU A 41 -14.468 -9.864 2.549 1.00 1.45 C ATOM 598 CD GLU A 41 -14.763 -11.214 1.905 1.00 2.25 C ATOM 599 OE1 GLU A 41 -14.860 -12.227 2.635 1.00 3.39 O ATOM 600 OE2 GLU A 41 -14.737 -11.316 0.659 1.00 2.59 O ATOM 0 H GLU A 41 -10.477 -9.374 3.136 1.00 1.08 H new ATOM 0 HA GLU A 41 -12.297 -10.201 0.944 1.00 1.17 H new ATOM 0 HB2 GLU A 41 -12.721 -10.715 3.468 1.00 1.19 H new ATOM 0 HB3 GLU A 41 -12.873 -8.983 3.689 1.00 1.19 H new ATOM 0 HG2 GLU A 41 -15.108 -9.721 3.420 1.00 1.45 H new ATOM 0 HG3 GLU A 41 -14.698 -9.061 1.849 1.00 1.45 H new ATOM 607 N ARG A 42 -11.551 -7.169 2.061 1.00 1.07 N ATOM 608 CA ARG A 42 -11.400 -5.756 1.708 1.00 1.12 C ATOM 609 C ARG A 42 -9.959 -5.273 1.876 1.00 1.11 C ATOM 610 O ARG A 42 -9.155 -5.896 2.569 1.00 1.71 O ATOM 611 CB ARG A 42 -12.386 -4.907 2.527 1.00 1.22 C ATOM 612 CG ARG A 42 -13.613 -4.552 1.677 1.00 2.04 C ATOM 613 CD ARG A 42 -14.352 -3.342 2.258 1.00 1.97 C ATOM 614 NE ARG A 42 -15.318 -2.779 1.293 1.00 2.79 N ATOM 615 CZ ARG A 42 -14.999 -2.051 0.223 1.00 4.02 C ATOM 616 NH1 ARG A 42 -13.755 -1.804 -0.104 1.00 4.82 N ATOM 617 NH2 ARG A 42 -15.934 -1.541 -0.552 1.00 5.16 N ATOM 0 H ARG A 42 -11.149 -7.392 2.972 1.00 1.07 H new ATOM 0 HA ARG A 42 -11.637 -5.640 0.650 1.00 1.12 H new ATOM 0 HB2 ARG A 42 -12.697 -5.455 3.417 1.00 1.22 H new ATOM 0 HB3 ARG A 42 -11.896 -3.996 2.869 1.00 1.22 H new ATOM 0 HG2 ARG A 42 -13.302 -4.336 0.655 1.00 2.04 H new ATOM 0 HG3 ARG A 42 -14.288 -5.407 1.631 1.00 2.04 H new ATOM 0 HD2 ARG A 42 -14.876 -3.637 3.167 1.00 1.97 H new ATOM 0 HD3 ARG A 42 -13.630 -2.575 2.540 1.00 1.97 H new ATOM 0 HE ARG A 42 -16.308 -2.962 1.458 1.00 2.79 H new ATOM 0 HH11 ARG A 42 -12.995 -2.173 0.467 1.00 4.82 H new ATOM 0 HH12 ARG A 42 -13.547 -1.243 -0.930 1.00 4.82 H new ATOM 0 HH21 ARG A 42 -16.918 -1.701 -0.337 1.00 5.16 H new ATOM 0 HH22 ARG A 42 -15.674 -0.986 -1.367 1.00 5.16 H new ATOM 631 N VAL A 43 -9.636 -4.147 1.245 1.00 0.88 N ATOM 632 CA VAL A 43 -8.293 -3.563 1.144 1.00 0.93 C ATOM 633 C VAL A 43 -8.392 -2.223 0.414 1.00 0.88 C ATOM 634 O VAL A 43 -8.976 -2.129 -0.662 1.00 1.18 O ATOM 635 CB VAL A 43 -7.207 -4.493 0.541 1.00 1.45 C ATOM 636 CG1 VAL A 43 -7.679 -5.218 -0.728 1.00 1.95 C ATOM 637 CG2 VAL A 43 -5.900 -3.748 0.207 1.00 1.34 C ATOM 0 H VAL A 43 -10.338 -3.585 0.764 1.00 0.88 H new ATOM 0 HA VAL A 43 -7.936 -3.409 2.162 1.00 0.93 H new ATOM 0 HB VAL A 43 -7.016 -5.225 1.326 1.00 1.45 H new ATOM 0 HG11 VAL A 43 -6.877 -5.853 -1.104 1.00 1.95 H new ATOM 0 HG12 VAL A 43 -8.549 -5.832 -0.494 1.00 1.95 H new ATOM 0 HG13 VAL A 43 -7.947 -4.484 -1.488 1.00 1.95 H new ATOM 0 HG21 VAL A 43 -5.178 -4.449 -0.211 1.00 1.34 H new ATOM 0 HG22 VAL A 43 -6.105 -2.962 -0.520 1.00 1.34 H new ATOM 0 HG23 VAL A 43 -5.491 -3.305 1.115 1.00 1.34 H new ATOM 647 N GLU A 44 -7.850 -1.188 1.051 1.00 0.71 N ATOM 648 CA GLU A 44 -8.097 0.223 0.730 1.00 0.67 C ATOM 649 C GLU A 44 -6.830 1.025 0.966 1.00 0.63 C ATOM 650 O GLU A 44 -6.157 0.867 1.984 1.00 0.68 O ATOM 651 CB GLU A 44 -9.200 0.880 1.578 1.00 0.70 C ATOM 652 CG GLU A 44 -10.187 -0.064 2.246 1.00 1.20 C ATOM 653 CD GLU A 44 -11.157 -0.753 1.287 1.00 2.85 C ATOM 654 OE1 GLU A 44 -11.777 -0.033 0.479 1.00 3.61 O ATOM 655 OE2 GLU A 44 -11.386 -1.985 1.408 1.00 4.45 O ATOM 0 H GLU A 44 -7.205 -1.308 1.832 1.00 0.71 H new ATOM 0 HA GLU A 44 -8.419 0.230 -0.311 1.00 0.67 H new ATOM 0 HB2 GLU A 44 -8.724 1.481 2.352 1.00 0.70 H new ATOM 0 HB3 GLU A 44 -9.759 1.565 0.941 1.00 0.70 H new ATOM 0 HG2 GLU A 44 -9.629 -0.827 2.788 1.00 1.20 H new ATOM 0 HG3 GLU A 44 -10.762 0.495 2.984 1.00 1.20 H new ATOM 662 N LEU A 45 -6.531 1.923 0.039 1.00 0.63 N ATOM 663 CA LEU A 45 -5.359 2.778 0.110 1.00 0.62 C ATOM 664 C LEU A 45 -5.660 4.077 0.850 1.00 0.56 C ATOM 665 O LEU A 45 -6.541 4.853 0.465 1.00 0.58 O ATOM 666 CB LEU A 45 -4.818 3.006 -1.305 1.00 0.66 C ATOM 667 CG LEU A 45 -3.338 3.413 -1.254 1.00 0.71 C ATOM 668 CD1 LEU A 45 -2.643 2.970 -2.528 1.00 0.71 C ATOM 669 CD2 LEU A 45 -3.136 4.921 -1.168 1.00 0.81 C ATOM 0 H LEU A 45 -7.102 2.079 -0.792 1.00 0.63 H new ATOM 0 HA LEU A 45 -4.581 2.285 0.693 1.00 0.62 H new ATOM 0 HB2 LEU A 45 -4.931 2.097 -1.895 1.00 0.66 H new ATOM 0 HB3 LEU A 45 -5.398 3.783 -1.802 1.00 0.66 H new ATOM 0 HG LEU A 45 -2.930 2.940 -0.361 1.00 0.71 H new ATOM 0 HD11 LEU A 45 -1.593 3.260 -2.489 1.00 0.71 H new ATOM 0 HD12 LEU A 45 -2.717 1.887 -2.625 1.00 0.71 H new ATOM 0 HD13 LEU A 45 -3.119 3.445 -3.386 1.00 0.71 H new ATOM 0 HD21 LEU A 45 -2.070 5.144 -1.135 1.00 0.81 H new ATOM 0 HD22 LEU A 45 -3.580 5.398 -2.042 1.00 0.81 H new ATOM 0 HD23 LEU A 45 -3.614 5.301 -0.265 1.00 0.81 H new ATOM 681 N HIS A 46 -4.878 4.320 1.895 1.00 0.54 N ATOM 682 CA HIS A 46 -4.873 5.540 2.686 1.00 0.52 C ATOM 683 C HIS A 46 -3.624 6.424 2.453 1.00 0.55 C ATOM 684 O HIS A 46 -2.530 5.948 2.133 1.00 0.57 O ATOM 685 CB HIS A 46 -4.999 5.187 4.183 1.00 0.58 C ATOM 686 CG HIS A 46 -6.325 4.675 4.708 1.00 0.58 C ATOM 687 ND1 HIS A 46 -6.695 4.765 6.054 1.00 0.62 N ATOM 688 CD2 HIS A 46 -7.353 4.078 4.026 1.00 0.60 C ATOM 689 CE1 HIS A 46 -7.899 4.187 6.153 1.00 0.67 C ATOM 690 NE2 HIS A 46 -8.314 3.754 4.954 1.00 0.65 N ATOM 0 H HIS A 46 -4.198 3.637 2.228 1.00 0.54 H new ATOM 0 HA HIS A 46 -5.730 6.129 2.359 1.00 0.52 H new ATOM 0 HB2 HIS A 46 -4.243 4.435 4.408 1.00 0.58 H new ATOM 0 HB3 HIS A 46 -4.741 6.079 4.754 1.00 0.58 H new ATOM 0 HD2 HIS A 46 -7.399 3.897 2.962 1.00 0.60 H new ATOM 0 HE1 HIS A 46 -8.458 4.084 7.071 1.00 0.67 H new ATOM 0 HE2 HIS A 46 -9.191 3.268 4.763 1.00 0.65 H new ATOM 698 N GLU A 47 -3.810 7.721 2.692 1.00 0.61 N ATOM 699 CA GLU A 47 -2.778 8.716 2.996 1.00 0.72 C ATOM 700 C GLU A 47 -2.566 8.834 4.518 1.00 0.76 C ATOM 701 O GLU A 47 -3.349 8.313 5.322 1.00 0.82 O ATOM 702 CB GLU A 47 -3.167 10.092 2.408 1.00 0.88 C ATOM 703 CG GLU A 47 -4.496 10.619 2.977 1.00 0.95 C ATOM 704 CD GLU A 47 -4.840 12.041 2.552 1.00 1.29 C ATOM 705 OE1 GLU A 47 -4.074 12.947 2.924 1.00 1.80 O ATOM 706 OE2 GLU A 47 -5.931 12.233 1.963 1.00 2.20 O ATOM 0 H GLU A 47 -4.743 8.133 2.678 1.00 0.61 H new ATOM 0 HA GLU A 47 -1.844 8.388 2.540 1.00 0.72 H new ATOM 0 HB2 GLU A 47 -2.375 10.811 2.618 1.00 0.88 H new ATOM 0 HB3 GLU A 47 -3.246 10.012 1.324 1.00 0.88 H new ATOM 0 HG2 GLU A 47 -5.301 9.954 2.664 1.00 0.95 H new ATOM 0 HG3 GLU A 47 -4.454 10.578 4.065 1.00 0.95 H new ATOM 713 N THR A 48 -1.526 9.561 4.932 1.00 0.86 N ATOM 714 CA THR A 48 -1.229 9.910 6.324 1.00 0.93 C ATOM 715 C THR A 48 -0.521 11.258 6.326 1.00 0.95 C ATOM 716 O THR A 48 0.564 11.400 5.771 1.00 1.01 O ATOM 717 CB THR A 48 -0.408 8.808 6.990 1.00 1.18 C ATOM 718 OG1 THR A 48 -1.219 7.658 7.020 1.00 1.51 O ATOM 719 CG2 THR A 48 0.016 9.155 8.416 1.00 1.19 C ATOM 0 H THR A 48 -0.839 9.939 4.280 1.00 0.86 H new ATOM 0 HA THR A 48 -2.144 9.995 6.910 1.00 0.93 H new ATOM 0 HB THR A 48 0.510 8.663 6.421 1.00 1.18 H new ATOM 0 HG1 THR A 48 -2.068 7.844 6.567 1.00 1.51 H new ATOM 0 HG21 THR A 48 0.596 8.332 8.834 1.00 1.19 H new ATOM 0 HG22 THR A 48 0.625 10.059 8.405 1.00 1.19 H new ATOM 0 HG23 THR A 48 -0.870 9.322 9.029 1.00 1.19 H new ATOM 727 N PHE A 49 -1.190 12.253 6.905 1.00 1.15 N ATOM 728 CA PHE A 49 -0.898 13.672 6.727 1.00 1.21 C ATOM 729 C PHE A 49 -0.539 14.375 8.041 1.00 1.21 C ATOM 730 O PHE A 49 -0.951 13.978 9.133 1.00 1.25 O ATOM 731 CB PHE A 49 -2.111 14.345 6.051 1.00 1.22 C ATOM 732 CG PHE A 49 -3.436 14.214 6.788 1.00 1.11 C ATOM 733 CD1 PHE A 49 -3.750 15.071 7.863 1.00 2.34 C ATOM 734 CD2 PHE A 49 -4.370 13.239 6.392 1.00 1.90 C ATOM 735 CE1 PHE A 49 -4.981 14.952 8.533 1.00 2.27 C ATOM 736 CE2 PHE A 49 -5.599 13.120 7.059 1.00 1.97 C ATOM 737 CZ PHE A 49 -5.906 13.977 8.122 1.00 1.09 C ATOM 0 H PHE A 49 -1.977 12.087 7.532 1.00 1.15 H new ATOM 0 HA PHE A 49 -0.016 13.763 6.093 1.00 1.21 H new ATOM 0 HB2 PHE A 49 -1.891 15.405 5.924 1.00 1.22 H new ATOM 0 HB3 PHE A 49 -2.228 13.922 5.053 1.00 1.22 H new ATOM 0 HD1 PHE A 49 -3.041 15.824 8.174 1.00 2.34 H new ATOM 0 HD2 PHE A 49 -4.140 12.578 5.570 1.00 1.90 H new ATOM 0 HE1 PHE A 49 -5.214 15.607 9.359 1.00 2.27 H new ATOM 0 HE2 PHE A 49 -6.309 12.366 6.752 1.00 1.97 H new ATOM 0 HZ PHE A 49 -6.856 13.889 8.628 1.00 1.09 H new ATOM 747 N MET A 50 0.178 15.495 7.913 1.00 1.23 N ATOM 748 CA MET A 50 0.285 16.530 8.949 1.00 1.22 C ATOM 749 C MET A 50 -0.751 17.638 8.713 1.00 1.16 C ATOM 750 O MET A 50 -1.230 17.813 7.591 1.00 1.54 O ATOM 751 CB MET A 50 1.715 17.093 9.010 1.00 1.45 C ATOM 752 CG MET A 50 2.155 17.813 7.726 1.00 2.25 C ATOM 753 SD MET A 50 3.662 18.789 7.932 1.00 2.95 S ATOM 754 CE MET A 50 3.768 19.482 6.263 1.00 3.52 C ATOM 0 H MET A 50 0.711 15.713 7.071 1.00 1.23 H new ATOM 0 HA MET A 50 0.070 16.078 9.917 1.00 1.22 H new ATOM 0 HB2 MET A 50 1.786 17.787 9.847 1.00 1.45 H new ATOM 0 HB3 MET A 50 2.408 16.277 9.213 1.00 1.45 H new ATOM 0 HG2 MET A 50 2.314 17.074 6.940 1.00 2.25 H new ATOM 0 HG3 MET A 50 1.350 18.467 7.391 1.00 2.25 H new ATOM 0 HE1 MET A 50 4.647 20.123 6.190 1.00 3.52 H new ATOM 0 HE2 MET A 50 3.848 18.673 5.537 1.00 3.52 H new ATOM 0 HE3 MET A 50 2.873 20.069 6.055 1.00 3.52 H new ATOM 764 N ARG A 51 -1.087 18.400 9.756 1.00 1.18 N ATOM 765 CA ARG A 51 -1.992 19.555 9.706 1.00 1.22 C ATOM 766 C ARG A 51 -1.808 20.431 10.949 1.00 1.28 C ATOM 767 O ARG A 51 -1.544 19.903 12.031 1.00 1.35 O ATOM 768 CB ARG A 51 -3.461 19.081 9.600 1.00 1.45 C ATOM 769 CG ARG A 51 -4.280 19.887 8.578 1.00 2.39 C ATOM 770 CD ARG A 51 -4.000 19.429 7.135 1.00 2.94 C ATOM 771 NE ARG A 51 -4.586 20.334 6.131 1.00 4.04 N ATOM 772 CZ ARG A 51 -5.864 20.468 5.790 1.00 4.82 C ATOM 773 NH1 ARG A 51 -6.825 19.780 6.375 1.00 5.00 N ATOM 774 NH2 ARG A 51 -6.190 21.328 4.850 1.00 5.96 N ATOM 0 H ARG A 51 -0.724 18.225 10.693 1.00 1.18 H new ATOM 0 HA ARG A 51 -1.750 20.147 8.823 1.00 1.22 H new ATOM 0 HB2 ARG A 51 -3.478 18.027 9.321 1.00 1.45 H new ATOM 0 HB3 ARG A 51 -3.934 19.159 10.579 1.00 1.45 H new ATOM 0 HG2 ARG A 51 -5.342 19.777 8.795 1.00 2.39 H new ATOM 0 HG3 ARG A 51 -4.043 20.946 8.676 1.00 2.39 H new ATOM 0 HD2 ARG A 51 -2.923 19.368 6.979 1.00 2.94 H new ATOM 0 HD3 ARG A 51 -4.400 18.425 6.992 1.00 2.94 H new ATOM 0 HE ARG A 51 -3.927 20.934 5.634 1.00 4.04 H new ATOM 0 HH11 ARG A 51 -6.599 19.117 7.117 1.00 5.00 H new ATOM 0 HH12 ARG A 51 -7.794 19.910 6.086 1.00 5.00 H new ATOM 0 HH21 ARG A 51 -5.466 21.882 4.392 1.00 5.96 H new ATOM 0 HH22 ARG A 51 -7.167 21.441 4.579 1.00 5.96 H new ATOM 788 N GLU A 52 -2.043 21.734 10.818 1.00 1.36 N ATOM 789 CA GLU A 52 -2.304 22.599 11.967 1.00 1.41 C ATOM 790 C GLU A 52 -3.818 22.709 12.168 1.00 1.53 C ATOM 791 O GLU A 52 -4.563 22.787 11.193 1.00 1.86 O ATOM 792 CB GLU A 52 -1.654 23.983 11.794 1.00 1.65 C ATOM 793 CG GLU A 52 -0.371 24.125 12.624 1.00 2.14 C ATOM 794 CD GLU A 52 0.804 23.294 12.103 1.00 2.73 C ATOM 795 OE1 GLU A 52 0.715 22.043 12.081 1.00 3.47 O ATOM 796 OE2 GLU A 52 1.877 23.864 11.815 1.00 3.53 O ATOM 0 H GLU A 52 -2.058 22.218 9.920 1.00 1.36 H new ATOM 0 HA GLU A 52 -1.854 22.159 12.857 1.00 1.41 H new ATOM 0 HB2 GLU A 52 -1.424 24.146 10.741 1.00 1.65 H new ATOM 0 HB3 GLU A 52 -2.364 24.756 12.089 1.00 1.65 H new ATOM 0 HG2 GLU A 52 -0.079 25.175 12.645 1.00 2.14 H new ATOM 0 HG3 GLU A 52 -0.582 23.832 13.653 1.00 2.14 H new ATOM 803 N VAL A 53 -4.250 22.701 13.429 1.00 1.44 N ATOM 804 CA VAL A 53 -5.659 22.774 13.855 1.00 1.66 C ATOM 805 C VAL A 53 -5.720 23.695 15.075 1.00 1.76 C ATOM 806 O VAL A 53 -5.083 23.407 16.083 1.00 2.62 O ATOM 807 CB VAL A 53 -6.220 21.372 14.206 1.00 1.74 C ATOM 808 CG1 VAL A 53 -7.697 21.457 14.626 1.00 2.54 C ATOM 809 CG2 VAL A 53 -6.103 20.385 13.029 1.00 2.38 C ATOM 0 H VAL A 53 -3.607 22.641 14.218 1.00 1.44 H new ATOM 0 HA VAL A 53 -6.272 23.163 13.042 1.00 1.66 H new ATOM 0 HB VAL A 53 -5.616 21.003 15.035 1.00 1.74 H new ATOM 0 HG11 VAL A 53 -8.065 20.460 14.867 1.00 2.54 H new ATOM 0 HG12 VAL A 53 -7.790 22.099 15.502 1.00 2.54 H new ATOM 0 HG13 VAL A 53 -8.285 21.873 13.808 1.00 2.54 H new ATOM 0 HG21 VAL A 53 -6.509 19.417 13.324 1.00 2.38 H new ATOM 0 HG22 VAL A 53 -6.662 20.768 12.176 1.00 2.38 H new ATOM 0 HG23 VAL A 53 -5.055 20.270 12.754 1.00 2.38 H new ATOM 819 N GLU A 54 -6.383 24.850 14.941 1.00 2.48 N ATOM 820 CA GLU A 54 -6.358 25.991 15.891 1.00 2.70 C ATOM 821 C GLU A 54 -4.956 26.649 15.995 1.00 2.49 C ATOM 822 O GLU A 54 -4.763 27.562 16.794 1.00 3.22 O ATOM 823 CB GLU A 54 -6.824 25.602 17.314 1.00 3.03 C ATOM 824 CG GLU A 54 -8.147 24.827 17.447 1.00 3.60 C ATOM 825 CD GLU A 54 -8.105 23.903 18.668 1.00 3.86 C ATOM 826 OE1 GLU A 54 -7.849 24.370 19.799 1.00 3.98 O ATOM 827 OE2 GLU A 54 -8.187 22.667 18.491 1.00 4.70 O ATOM 0 H GLU A 54 -6.981 25.032 14.135 1.00 2.48 H new ATOM 0 HA GLU A 54 -7.063 26.709 15.473 1.00 2.70 H new ATOM 0 HB2 GLU A 54 -6.037 25.003 17.773 1.00 3.03 H new ATOM 0 HB3 GLU A 54 -6.911 26.517 17.900 1.00 3.03 H new ATOM 0 HG2 GLU A 54 -8.978 25.527 17.541 1.00 3.60 H new ATOM 0 HG3 GLU A 54 -8.324 24.241 16.545 1.00 3.60 H new ATOM 834 N GLY A 55 -3.965 26.162 15.234 1.00 1.74 N ATOM 835 CA GLY A 55 -2.533 26.461 15.396 1.00 1.60 C ATOM 836 C GLY A 55 -1.741 25.348 16.098 1.00 1.60 C ATOM 837 O GLY A 55 -0.513 25.350 16.052 1.00 1.87 O ATOM 0 H GLY A 55 -4.145 25.524 14.459 1.00 1.74 H new ATOM 0 HA2 GLY A 55 -2.096 26.641 14.414 1.00 1.60 H new ATOM 0 HA3 GLY A 55 -2.427 27.384 15.966 1.00 1.60 H new ATOM 841 N LYS A 56 -2.403 24.355 16.701 1.00 1.66 N ATOM 842 CA LYS A 56 -1.770 23.166 17.270 1.00 1.93 C ATOM 843 C LYS A 56 -1.382 22.197 16.142 1.00 1.67 C ATOM 844 O LYS A 56 -2.179 21.968 15.226 1.00 1.36 O ATOM 845 CB LYS A 56 -2.750 22.495 18.253 1.00 2.30 C ATOM 846 CG LYS A 56 -3.205 23.395 19.425 1.00 2.90 C ATOM 847 CD LYS A 56 -4.716 23.310 19.691 1.00 3.93 C ATOM 848 CE LYS A 56 -5.170 22.080 20.483 1.00 3.81 C ATOM 849 NZ LYS A 56 -6.651 22.073 20.586 1.00 4.48 N ATOM 0 H LYS A 56 -3.417 24.358 16.808 1.00 1.66 H new ATOM 0 HA LYS A 56 -0.865 23.446 17.809 1.00 1.93 H new ATOM 0 HB2 LYS A 56 -3.631 22.168 17.701 1.00 2.30 H new ATOM 0 HB3 LYS A 56 -2.279 21.601 18.661 1.00 2.30 H new ATOM 0 HG2 LYS A 56 -2.665 23.108 20.328 1.00 2.90 H new ATOM 0 HG3 LYS A 56 -2.937 24.429 19.208 1.00 2.90 H new ATOM 0 HD2 LYS A 56 -5.025 24.205 20.232 1.00 3.93 H new ATOM 0 HD3 LYS A 56 -5.238 23.320 18.734 1.00 3.93 H new ATOM 0 HE2 LYS A 56 -4.825 21.171 19.991 1.00 3.81 H new ATOM 0 HE3 LYS A 56 -4.726 22.092 21.478 1.00 3.81 H new ATOM 0 HZ1 LYS A 56 -6.945 21.399 21.322 1.00 4.48 H new ATOM 0 HZ2 LYS A 56 -6.986 23.026 20.835 1.00 4.48 H new ATOM 0 HZ3 LYS A 56 -7.061 21.789 19.673 1.00 4.48 H new ATOM 863 N LYS A 57 -0.183 21.608 16.193 1.00 1.94 N ATOM 864 CA LYS A 57 0.263 20.624 15.191 1.00 1.85 C ATOM 865 C LYS A 57 -0.387 19.249 15.449 1.00 1.79 C ATOM 866 O LYS A 57 -0.302 18.735 16.561 1.00 2.18 O ATOM 867 CB LYS A 57 1.804 20.526 15.165 1.00 2.36 C ATOM 868 CG LYS A 57 2.485 21.900 15.005 1.00 2.81 C ATOM 869 CD LYS A 57 3.949 21.850 14.532 1.00 3.25 C ATOM 870 CE LYS A 57 4.201 21.147 13.183 1.00 3.25 C ATOM 871 NZ LYS A 57 3.424 21.735 12.065 1.00 3.73 N ATOM 0 H LYS A 57 0.504 21.795 16.923 1.00 1.94 H new ATOM 0 HA LYS A 57 -0.061 20.964 14.207 1.00 1.85 H new ATOM 0 HB2 LYS A 57 2.150 20.059 16.087 1.00 2.36 H new ATOM 0 HB3 LYS A 57 2.109 19.876 14.345 1.00 2.36 H new ATOM 0 HG2 LYS A 57 1.910 22.493 14.294 1.00 2.81 H new ATOM 0 HG3 LYS A 57 2.446 22.422 15.961 1.00 2.81 H new ATOM 0 HD2 LYS A 57 4.322 22.872 14.462 1.00 3.25 H new ATOM 0 HD3 LYS A 57 4.540 21.347 15.297 1.00 3.25 H new ATOM 0 HE2 LYS A 57 5.264 21.200 12.946 1.00 3.25 H new ATOM 0 HE3 LYS A 57 3.947 20.091 13.278 1.00 3.25 H new ATOM 0 HZ1 LYS A 57 3.959 21.633 11.179 1.00 3.73 H new ATOM 0 HZ2 LYS A 57 2.513 21.241 11.978 1.00 3.73 H new ATOM 0 HZ3 LYS A 57 3.255 22.744 12.253 1.00 3.73 H new ATOM 885 N VAL A 58 -1.032 18.669 14.438 1.00 1.51 N ATOM 886 CA VAL A 58 -1.828 17.427 14.499 1.00 1.60 C ATOM 887 C VAL A 58 -1.472 16.541 13.292 1.00 1.43 C ATOM 888 O VAL A 58 -1.010 17.044 12.268 1.00 1.35 O ATOM 889 CB VAL A 58 -3.342 17.768 14.526 1.00 1.75 C ATOM 890 CG1 VAL A 58 -4.270 16.541 14.463 1.00 2.14 C ATOM 891 CG2 VAL A 58 -3.708 18.569 15.789 1.00 2.15 C ATOM 0 H VAL A 58 -1.017 19.069 13.500 1.00 1.51 H new ATOM 0 HA VAL A 58 -1.596 16.879 15.412 1.00 1.60 H new ATOM 0 HB VAL A 58 -3.502 18.357 13.623 1.00 1.75 H new ATOM 0 HG11 VAL A 58 -5.309 16.869 14.487 1.00 2.14 H new ATOM 0 HG12 VAL A 58 -4.084 15.991 13.540 1.00 2.14 H new ATOM 0 HG13 VAL A 58 -4.075 15.893 15.317 1.00 2.14 H new ATOM 0 HG21 VAL A 58 -4.775 18.794 15.781 1.00 2.15 H new ATOM 0 HG22 VAL A 58 -3.468 17.981 16.675 1.00 2.15 H new ATOM 0 HG23 VAL A 58 -3.141 19.500 15.806 1.00 2.15 H new ATOM 901 N MET A 59 -1.676 15.224 13.398 1.00 1.66 N ATOM 902 CA MET A 59 -1.555 14.276 12.277 1.00 1.57 C ATOM 903 C MET A 59 -2.808 13.398 12.169 1.00 1.50 C ATOM 904 O MET A 59 -3.500 13.183 13.162 1.00 1.79 O ATOM 905 CB MET A 59 -0.291 13.419 12.439 1.00 1.67 C ATOM 906 CG MET A 59 0.972 14.232 12.115 1.00 2.31 C ATOM 907 SD MET A 59 2.480 13.685 12.950 1.00 2.82 S ATOM 908 CE MET A 59 2.086 14.265 14.618 1.00 3.58 C ATOM 0 H MET A 59 -1.934 14.776 14.277 1.00 1.66 H new ATOM 0 HA MET A 59 -1.467 14.843 11.350 1.00 1.57 H new ATOM 0 HB2 MET A 59 -0.232 13.041 13.460 1.00 1.67 H new ATOM 0 HB3 MET A 59 -0.348 12.552 11.781 1.00 1.67 H new ATOM 0 HG2 MET A 59 1.140 14.198 11.039 1.00 2.31 H new ATOM 0 HG3 MET A 59 0.790 15.274 12.376 1.00 2.31 H new ATOM 0 HE1 MET A 59 2.917 14.855 15.004 1.00 3.58 H new ATOM 0 HE2 MET A 59 1.188 14.881 14.586 1.00 3.58 H new ATOM 0 HE3 MET A 59 1.915 13.408 15.270 1.00 3.58 H new ATOM 918 N GLY A 60 -3.098 12.893 10.967 1.00 1.25 N ATOM 919 CA GLY A 60 -4.253 12.028 10.695 1.00 1.24 C ATOM 920 C GLY A 60 -4.062 11.130 9.475 1.00 1.06 C ATOM 921 O GLY A 60 -3.010 11.154 8.844 1.00 1.17 O ATOM 0 H GLY A 60 -2.528 13.076 10.141 1.00 1.25 H new ATOM 0 HA2 GLY A 60 -4.446 11.406 11.569 1.00 1.24 H new ATOM 0 HA3 GLY A 60 -5.136 12.649 10.545 1.00 1.24 H new ATOM 925 N MET A 61 -5.080 10.326 9.163 1.00 1.15 N ATOM 926 CA MET A 61 -5.091 9.351 8.062 1.00 0.97 C ATOM 927 C MET A 61 -6.428 9.417 7.319 1.00 0.90 C ATOM 928 O MET A 61 -7.412 9.941 7.847 1.00 1.12 O ATOM 929 CB MET A 61 -4.837 7.919 8.581 1.00 1.07 C ATOM 930 CG MET A 61 -3.591 7.796 9.468 1.00 1.43 C ATOM 931 SD MET A 61 -3.869 8.165 11.222 1.00 2.33 S ATOM 932 CE MET A 61 -2.177 8.575 11.708 1.00 2.88 C ATOM 0 H MET A 61 -5.954 10.334 9.688 1.00 1.15 H new ATOM 0 HA MET A 61 -4.285 9.605 7.373 1.00 0.97 H new ATOM 0 HB2 MET A 61 -5.708 7.587 9.146 1.00 1.07 H new ATOM 0 HB3 MET A 61 -4.734 7.246 7.729 1.00 1.07 H new ATOM 0 HG2 MET A 61 -3.199 6.783 9.382 1.00 1.43 H new ATOM 0 HG3 MET A 61 -2.823 8.468 9.087 1.00 1.43 H new ATOM 0 HE1 MET A 61 -2.148 8.796 12.775 1.00 2.88 H new ATOM 0 HE2 MET A 61 -1.522 7.730 11.495 1.00 2.88 H new ATOM 0 HE3 MET A 61 -1.838 9.446 11.147 1.00 2.88 H new ATOM 942 N ARG A 62 -6.483 8.896 6.089 1.00 0.71 N ATOM 943 CA ARG A 62 -7.661 9.015 5.211 1.00 0.71 C ATOM 944 C ARG A 62 -7.554 8.031 4.041 1.00 0.57 C ATOM 945 O ARG A 62 -6.492 8.017 3.429 1.00 0.56 O ATOM 946 CB ARG A 62 -7.712 10.454 4.644 1.00 0.83 C ATOM 947 CG ARG A 62 -9.086 11.128 4.747 1.00 1.69 C ATOM 948 CD ARG A 62 -9.043 12.592 4.274 1.00 1.76 C ATOM 949 NE ARG A 62 -8.458 12.732 2.929 1.00 2.53 N ATOM 950 CZ ARG A 62 -9.047 12.783 1.744 1.00 3.32 C ATOM 951 NH1 ARG A 62 -10.356 12.823 1.589 1.00 3.64 N ATOM 952 NH2 ARG A 62 -8.270 12.782 0.687 1.00 4.53 N ATOM 0 H ARG A 62 -5.711 8.377 5.669 1.00 0.71 H new ATOM 0 HA ARG A 62 -8.560 8.792 5.786 1.00 0.71 H new ATOM 0 HB2 ARG A 62 -6.980 11.066 5.172 1.00 0.83 H new ATOM 0 HB3 ARG A 62 -7.411 10.430 3.597 1.00 0.83 H new ATOM 0 HG2 ARG A 62 -9.808 10.574 4.148 1.00 1.69 H new ATOM 0 HG3 ARG A 62 -9.433 11.090 5.780 1.00 1.69 H new ATOM 0 HD2 ARG A 62 -10.054 13.000 4.272 1.00 1.76 H new ATOM 0 HD3 ARG A 62 -8.463 13.183 4.983 1.00 1.76 H new ATOM 0 HE ARG A 62 -7.441 12.800 2.907 1.00 2.53 H new ATOM 0 HH11 ARG A 62 -10.967 12.815 2.406 1.00 3.64 H new ATOM 0 HH12 ARG A 62 -10.758 12.862 0.652 1.00 3.64 H new ATOM 0 HH21 ARG A 62 -7.257 12.743 0.799 1.00 4.53 H new ATOM 0 HH22 ARG A 62 -8.679 12.820 -0.247 1.00 4.53 H new ATOM 966 N PRO A 63 -8.588 7.264 3.649 1.00 0.54 N ATOM 967 CA PRO A 63 -8.587 6.605 2.347 1.00 0.55 C ATOM 968 C PRO A 63 -8.629 7.646 1.221 1.00 0.58 C ATOM 969 O PRO A 63 -9.240 8.705 1.376 1.00 0.64 O ATOM 970 CB PRO A 63 -9.767 5.637 2.324 1.00 0.61 C ATOM 971 CG PRO A 63 -10.694 6.200 3.389 1.00 0.63 C ATOM 972 CD PRO A 63 -9.814 6.979 4.370 1.00 0.57 C ATOM 0 HA PRO A 63 -7.671 6.038 2.183 1.00 0.55 H new ATOM 0 HB2 PRO A 63 -10.247 5.609 1.346 1.00 0.61 H new ATOM 0 HB3 PRO A 63 -9.457 4.618 2.556 1.00 0.61 H new ATOM 0 HG2 PRO A 63 -11.446 6.851 2.943 1.00 0.63 H new ATOM 0 HG3 PRO A 63 -11.228 5.399 3.900 1.00 0.63 H new ATOM 0 HD2 PRO A 63 -10.303 7.899 4.691 1.00 0.57 H new ATOM 0 HD3 PRO A 63 -9.614 6.394 5.268 1.00 0.57 H new ATOM 980 N VAL A 64 -7.970 7.329 0.103 1.00 0.59 N ATOM 981 CA VAL A 64 -7.811 8.200 -1.080 1.00 0.54 C ATOM 982 C VAL A 64 -8.271 7.490 -2.358 1.00 0.49 C ATOM 983 O VAL A 64 -8.288 6.258 -2.383 1.00 0.50 O ATOM 984 CB VAL A 64 -6.345 8.666 -1.276 1.00 0.56 C ATOM 985 CG1 VAL A 64 -6.056 9.865 -0.372 1.00 0.66 C ATOM 986 CG2 VAL A 64 -5.298 7.565 -1.050 1.00 0.60 C ATOM 0 H VAL A 64 -7.512 6.425 -0.014 1.00 0.59 H new ATOM 0 HA VAL A 64 -8.436 9.074 -0.895 1.00 0.54 H new ATOM 0 HB VAL A 64 -6.254 8.949 -2.325 1.00 0.56 H new ATOM 0 HG11 VAL A 64 -5.025 10.188 -0.514 1.00 0.66 H new ATOM 0 HG12 VAL A 64 -6.730 10.683 -0.626 1.00 0.66 H new ATOM 0 HG13 VAL A 64 -6.207 9.580 0.669 1.00 0.66 H new ATOM 0 HG21 VAL A 64 -4.300 7.974 -1.207 1.00 0.60 H new ATOM 0 HG22 VAL A 64 -5.380 7.189 -0.030 1.00 0.60 H new ATOM 0 HG23 VAL A 64 -5.470 6.749 -1.752 1.00 0.60 H new ATOM 996 N PRO A 65 -8.616 8.234 -3.430 1.00 0.51 N ATOM 997 CA PRO A 65 -8.990 7.648 -4.711 1.00 0.56 C ATOM 998 C PRO A 65 -7.788 7.076 -5.475 1.00 0.52 C ATOM 999 O PRO A 65 -7.999 6.173 -6.279 1.00 0.63 O ATOM 1000 CB PRO A 65 -9.668 8.780 -5.488 1.00 0.65 C ATOM 1001 CG PRO A 65 -8.970 10.030 -4.961 1.00 0.60 C ATOM 1002 CD PRO A 65 -8.743 9.688 -3.488 1.00 0.55 C ATOM 0 HA PRO A 65 -9.653 6.794 -4.571 1.00 0.56 H new ATOM 0 HB2 PRO A 65 -9.534 8.667 -6.564 1.00 0.65 H new ATOM 0 HB3 PRO A 65 -10.742 8.809 -5.302 1.00 0.65 H new ATOM 0 HG2 PRO A 65 -8.032 10.221 -5.482 1.00 0.60 H new ATOM 0 HG3 PRO A 65 -9.588 10.920 -5.080 1.00 0.60 H new ATOM 0 HD2 PRO A 65 -7.844 10.174 -3.108 1.00 0.55 H new ATOM 0 HD3 PRO A 65 -9.575 10.032 -2.874 1.00 0.55 H new ATOM 1010 N PHE A 66 -6.554 7.555 -5.230 1.00 0.45 N ATOM 1011 CA PHE A 66 -5.331 7.072 -5.873 1.00 0.50 C ATOM 1012 C PHE A 66 -4.053 7.699 -5.291 1.00 0.53 C ATOM 1013 O PHE A 66 -4.083 8.723 -4.610 1.00 0.57 O ATOM 1014 CB PHE A 66 -5.366 7.226 -7.410 1.00 0.58 C ATOM 1015 CG PHE A 66 -5.572 8.623 -7.955 1.00 0.58 C ATOM 1016 CD1 PHE A 66 -4.471 9.478 -8.151 1.00 1.72 C ATOM 1017 CD2 PHE A 66 -6.858 9.039 -8.338 1.00 1.61 C ATOM 1018 CE1 PHE A 66 -4.657 10.742 -8.738 1.00 1.71 C ATOM 1019 CE2 PHE A 66 -7.047 10.308 -8.915 1.00 1.73 C ATOM 1020 CZ PHE A 66 -5.944 11.157 -9.119 1.00 0.86 C ATOM 0 H PHE A 66 -6.382 8.307 -4.562 1.00 0.45 H new ATOM 0 HA PHE A 66 -5.296 6.006 -5.648 1.00 0.50 H new ATOM 0 HB2 PHE A 66 -4.428 6.841 -7.811 1.00 0.58 H new ATOM 0 HB3 PHE A 66 -6.163 6.590 -7.796 1.00 0.58 H new ATOM 0 HD1 PHE A 66 -3.483 9.163 -7.850 1.00 1.72 H new ATOM 0 HD2 PHE A 66 -7.703 8.383 -8.189 1.00 1.61 H new ATOM 0 HE1 PHE A 66 -3.811 11.394 -8.896 1.00 1.71 H new ATOM 0 HE2 PHE A 66 -8.037 10.630 -9.201 1.00 1.73 H new ATOM 0 HZ PHE A 66 -6.087 12.128 -9.569 1.00 0.86 H new ATOM 1030 N LEU A 67 -2.923 7.087 -5.654 1.00 0.58 N ATOM 1031 CA LEU A 67 -1.596 7.700 -5.756 1.00 0.58 C ATOM 1032 C LEU A 67 -1.148 7.727 -7.221 1.00 0.57 C ATOM 1033 O LEU A 67 -1.741 7.047 -8.055 1.00 0.58 O ATOM 1034 CB LEU A 67 -0.590 6.869 -4.940 1.00 0.65 C ATOM 1035 CG LEU A 67 -0.323 7.381 -3.517 1.00 0.69 C ATOM 1036 CD1 LEU A 67 0.773 6.472 -2.950 1.00 1.10 C ATOM 1037 CD2 LEU A 67 0.188 8.832 -3.508 1.00 1.01 C ATOM 0 H LEU A 67 -2.908 6.097 -5.898 1.00 0.58 H new ATOM 0 HA LEU A 67 -1.640 8.719 -5.370 1.00 0.58 H new ATOM 0 HB2 LEU A 67 -0.955 5.844 -4.878 1.00 0.65 H new ATOM 0 HB3 LEU A 67 0.355 6.838 -5.481 1.00 0.65 H new ATOM 0 HG LEU A 67 -1.245 7.363 -2.936 1.00 0.69 H new ATOM 0 HD11 LEU A 67 1.013 6.782 -1.933 1.00 1.10 H new ATOM 0 HD12 LEU A 67 0.421 5.440 -2.941 1.00 1.10 H new ATOM 0 HD13 LEU A 67 1.665 6.546 -3.572 1.00 1.10 H new ATOM 0 HD21 LEU A 67 0.363 9.150 -2.480 1.00 1.01 H new ATOM 0 HD22 LEU A 67 1.120 8.893 -4.070 1.00 1.01 H new ATOM 0 HD23 LEU A 67 -0.556 9.483 -3.968 1.00 1.01 H new ATOM 1049 N GLU A 68 -0.059 8.423 -7.542 1.00 0.61 N ATOM 1050 CA GLU A 68 0.486 8.433 -8.905 1.00 0.65 C ATOM 1051 C GLU A 68 1.968 8.786 -8.956 1.00 0.79 C ATOM 1052 O GLU A 68 2.534 9.217 -7.955 1.00 0.86 O ATOM 1053 CB GLU A 68 -0.389 9.252 -9.871 1.00 0.67 C ATOM 1054 CG GLU A 68 -0.083 10.743 -9.994 1.00 0.86 C ATOM 1055 CD GLU A 68 -1.127 11.370 -10.931 1.00 1.05 C ATOM 1056 OE1 GLU A 68 -1.307 10.834 -12.053 1.00 1.89 O ATOM 1057 OE2 GLU A 68 -1.824 12.310 -10.505 1.00 1.89 O ATOM 0 H GLU A 68 0.467 8.990 -6.877 1.00 0.61 H new ATOM 0 HA GLU A 68 0.442 7.406 -9.268 1.00 0.65 H new ATOM 0 HB2 GLU A 68 -0.306 8.807 -10.862 1.00 0.67 H new ATOM 0 HB3 GLU A 68 -1.428 9.145 -9.560 1.00 0.67 H new ATOM 0 HG2 GLU A 68 -0.116 11.220 -9.015 1.00 0.86 H new ATOM 0 HG3 GLU A 68 0.922 10.894 -10.389 1.00 0.86 H new ATOM 1064 N VAL A 69 2.603 8.508 -10.098 1.00 0.85 N ATOM 1065 CA VAL A 69 4.058 8.388 -10.217 1.00 0.86 C ATOM 1066 C VAL A 69 4.505 8.696 -11.649 1.00 0.78 C ATOM 1067 O VAL A 69 3.852 8.232 -12.586 1.00 0.78 O ATOM 1068 CB VAL A 69 4.552 6.943 -9.902 1.00 0.90 C ATOM 1069 CG1 VAL A 69 6.036 6.922 -9.511 1.00 0.99 C ATOM 1070 CG2 VAL A 69 3.746 6.182 -8.830 1.00 0.90 C ATOM 0 H VAL A 69 2.112 8.358 -10.980 1.00 0.85 H new ATOM 0 HA VAL A 69 4.480 9.094 -9.502 1.00 0.86 H new ATOM 0 HB VAL A 69 4.392 6.416 -10.842 1.00 0.90 H new ATOM 0 HG11 VAL A 69 6.342 5.897 -9.299 1.00 0.99 H new ATOM 0 HG12 VAL A 69 6.634 7.317 -10.332 1.00 0.99 H new ATOM 0 HG13 VAL A 69 6.187 7.537 -8.624 1.00 0.99 H new ATOM 0 HG21 VAL A 69 4.174 5.190 -8.689 1.00 0.90 H new ATOM 0 HG22 VAL A 69 3.784 6.730 -7.889 1.00 0.90 H new ATOM 0 HG23 VAL A 69 2.709 6.087 -9.153 1.00 0.90 H new ATOM 1080 N PRO A 70 5.637 9.389 -11.857 1.00 0.74 N ATOM 1081 CA PRO A 70 6.250 9.503 -13.173 1.00 0.74 C ATOM 1082 C PRO A 70 6.873 8.173 -13.657 1.00 0.69 C ATOM 1083 O PRO A 70 6.974 7.207 -12.894 1.00 0.72 O ATOM 1084 CB PRO A 70 7.306 10.603 -13.024 1.00 0.89 C ATOM 1085 CG PRO A 70 7.726 10.490 -11.560 1.00 0.83 C ATOM 1086 CD PRO A 70 6.413 10.131 -10.869 1.00 0.83 C ATOM 0 HA PRO A 70 5.508 9.747 -13.933 1.00 0.74 H new ATOM 0 HB2 PRO A 70 8.148 10.446 -13.698 1.00 0.89 H new ATOM 0 HB3 PRO A 70 6.896 11.587 -13.250 1.00 0.89 H new ATOM 0 HG2 PRO A 70 8.485 9.722 -11.413 1.00 0.83 H new ATOM 0 HG3 PRO A 70 8.141 11.425 -11.183 1.00 0.83 H new ATOM 0 HD2 PRO A 70 6.591 9.528 -9.978 1.00 0.83 H new ATOM 0 HD3 PRO A 70 5.882 11.027 -10.547 1.00 0.83 H new ATOM 1094 N PRO A 71 7.309 8.123 -14.928 1.00 0.80 N ATOM 1095 CA PRO A 71 8.218 7.107 -15.445 1.00 0.88 C ATOM 1096 C PRO A 71 9.590 7.162 -14.774 1.00 0.86 C ATOM 1097 O PRO A 71 10.044 8.225 -14.357 1.00 0.87 O ATOM 1098 CB PRO A 71 8.277 7.326 -16.952 1.00 1.05 C ATOM 1099 CG PRO A 71 7.761 8.740 -17.196 1.00 1.07 C ATOM 1100 CD PRO A 71 6.923 9.060 -15.969 1.00 0.92 C ATOM 0 HA PRO A 71 7.859 6.102 -15.221 1.00 0.88 H new ATOM 0 HB2 PRO A 71 9.296 7.214 -17.322 1.00 1.05 H new ATOM 0 HB3 PRO A 71 7.665 6.592 -17.476 1.00 1.05 H new ATOM 0 HG2 PRO A 71 8.582 9.447 -17.310 1.00 1.07 H new ATOM 0 HG3 PRO A 71 7.166 8.793 -18.107 1.00 1.07 H new ATOM 0 HD2 PRO A 71 7.093 10.087 -15.645 1.00 0.92 H new ATOM 0 HD3 PRO A 71 5.860 8.968 -16.194 1.00 0.92 H new ATOM 1108 N LYS A 72 10.234 5.992 -14.651 1.00 0.90 N ATOM 1109 CA LYS A 72 11.570 5.777 -14.056 1.00 0.92 C ATOM 1110 C LYS A 72 11.620 5.982 -12.530 1.00 0.93 C ATOM 1111 O LYS A 72 12.649 5.753 -11.895 1.00 1.01 O ATOM 1112 CB LYS A 72 12.641 6.596 -14.799 1.00 0.93 C ATOM 1113 CG LYS A 72 12.529 6.509 -16.328 1.00 0.96 C ATOM 1114 CD LYS A 72 12.639 5.083 -16.896 1.00 1.07 C ATOM 1115 CE LYS A 72 12.293 5.102 -18.386 1.00 1.09 C ATOM 1116 NZ LYS A 72 12.404 3.765 -19.014 1.00 1.67 N ATOM 0 H LYS A 72 9.818 5.121 -14.980 1.00 0.90 H new ATOM 0 HA LYS A 72 11.799 4.720 -14.193 1.00 0.92 H new ATOM 0 HB2 LYS A 72 12.563 7.640 -14.496 1.00 0.93 H new ATOM 0 HB3 LYS A 72 13.628 6.248 -14.495 1.00 0.93 H new ATOM 0 HG2 LYS A 72 11.574 6.936 -16.635 1.00 0.96 H new ATOM 0 HG3 LYS A 72 13.311 7.125 -16.773 1.00 0.96 H new ATOM 0 HD2 LYS A 72 13.649 4.699 -16.751 1.00 1.07 H new ATOM 0 HD3 LYS A 72 11.963 4.414 -16.363 1.00 1.07 H new ATOM 0 HE2 LYS A 72 11.277 5.476 -18.515 1.00 1.09 H new ATOM 0 HE3 LYS A 72 12.957 5.797 -18.900 1.00 1.09 H new ATOM 0 HZ1 LYS A 72 13.144 3.785 -19.744 1.00 1.67 H new ATOM 0 HZ2 LYS A 72 12.651 3.061 -18.290 1.00 1.67 H new ATOM 0 HZ3 LYS A 72 11.495 3.509 -19.449 1.00 1.67 H new ATOM 1130 N GLY A 73 10.506 6.381 -11.919 1.00 0.93 N ATOM 1131 CA GLY A 73 10.367 6.660 -10.495 1.00 0.99 C ATOM 1132 C GLY A 73 10.086 5.394 -9.702 1.00 0.92 C ATOM 1133 O GLY A 73 9.027 4.783 -9.828 1.00 0.95 O ATOM 0 H GLY A 73 9.635 6.525 -12.430 1.00 0.93 H new ATOM 0 HA2 GLY A 73 11.279 7.127 -10.124 1.00 0.99 H new ATOM 0 HA3 GLY A 73 9.558 7.374 -10.341 1.00 0.99 H new ATOM 1137 N ARG A 74 11.028 5.052 -8.831 1.00 1.28 N ATOM 1138 CA ARG A 74 10.795 4.110 -7.721 1.00 1.31 C ATOM 1139 C ARG A 74 10.325 4.859 -6.469 1.00 1.39 C ATOM 1140 O ARG A 74 10.953 5.840 -6.069 1.00 1.67 O ATOM 1141 CB ARG A 74 11.963 3.113 -7.526 1.00 1.52 C ATOM 1142 CG ARG A 74 13.144 3.486 -6.610 1.00 1.87 C ATOM 1143 CD ARG A 74 12.962 3.074 -5.134 1.00 1.83 C ATOM 1144 NE ARG A 74 12.530 4.202 -4.293 1.00 3.53 N ATOM 1145 CZ ARG A 74 12.482 4.196 -2.967 1.00 5.00 C ATOM 1146 NH1 ARG A 74 12.735 3.130 -2.246 1.00 5.14 N ATOM 1147 NH2 ARG A 74 12.164 5.297 -2.326 1.00 6.82 N ATOM 0 H ARG A 74 11.980 5.416 -8.867 1.00 1.28 H new ATOM 0 HA ARG A 74 9.967 3.450 -7.980 1.00 1.31 H new ATOM 0 HB2 ARG A 74 11.538 2.184 -7.146 1.00 1.52 H new ATOM 0 HB3 ARG A 74 12.373 2.896 -8.512 1.00 1.52 H new ATOM 0 HG2 ARG A 74 14.049 3.018 -6.996 1.00 1.87 H new ATOM 0 HG3 ARG A 74 13.298 4.564 -6.657 1.00 1.87 H new ATOM 0 HD2 ARG A 74 12.226 2.272 -5.070 1.00 1.83 H new ATOM 0 HD3 ARG A 74 13.902 2.676 -4.751 1.00 1.83 H new ATOM 0 HE ARG A 74 12.244 5.058 -4.768 1.00 3.53 H new ATOM 0 HH11 ARG A 74 12.983 2.252 -2.703 1.00 5.14 H new ATOM 0 HH12 ARG A 74 12.684 3.179 -1.228 1.00 5.14 H new ATOM 0 HH21 ARG A 74 11.956 6.149 -2.847 1.00 6.82 H new ATOM 0 HH22 ARG A 74 12.125 5.301 -1.307 1.00 6.82 H new ATOM 1161 N VAL A 75 9.224 4.421 -5.860 1.00 1.17 N ATOM 1162 CA VAL A 75 8.442 5.178 -4.862 1.00 1.00 C ATOM 1163 C VAL A 75 7.765 4.258 -3.843 1.00 0.82 C ATOM 1164 O VAL A 75 7.579 3.071 -4.084 1.00 0.99 O ATOM 1165 CB VAL A 75 7.381 6.106 -5.502 1.00 1.35 C ATOM 1166 CG1 VAL A 75 8.018 7.222 -6.346 1.00 1.76 C ATOM 1167 CG2 VAL A 75 6.345 5.328 -6.326 1.00 1.43 C ATOM 0 H VAL A 75 8.832 3.499 -6.049 1.00 1.17 H new ATOM 0 HA VAL A 75 9.170 5.804 -4.346 1.00 1.00 H new ATOM 0 HB VAL A 75 6.856 6.576 -4.671 1.00 1.35 H new ATOM 0 HG11 VAL A 75 7.234 7.847 -6.774 1.00 1.76 H new ATOM 0 HG12 VAL A 75 8.664 7.832 -5.715 1.00 1.76 H new ATOM 0 HG13 VAL A 75 8.608 6.779 -7.148 1.00 1.76 H new ATOM 0 HG21 VAL A 75 5.623 6.024 -6.754 1.00 1.43 H new ATOM 0 HG22 VAL A 75 6.849 4.789 -7.128 1.00 1.43 H new ATOM 0 HG23 VAL A 75 5.826 4.618 -5.682 1.00 1.43 H new ATOM 1177 N GLU A 76 7.429 4.817 -2.681 1.00 0.99 N ATOM 1178 CA GLU A 76 7.556 4.133 -1.396 1.00 0.99 C ATOM 1179 C GLU A 76 6.427 4.580 -0.459 1.00 1.05 C ATOM 1180 O GLU A 76 6.382 5.752 -0.059 1.00 1.14 O ATOM 1181 CB GLU A 76 8.937 4.558 -0.875 1.00 1.48 C ATOM 1182 CG GLU A 76 9.385 4.048 0.493 1.00 2.17 C ATOM 1183 CD GLU A 76 10.453 5.013 1.006 1.00 2.71 C ATOM 1184 OE1 GLU A 76 11.495 5.143 0.322 1.00 2.87 O ATOM 1185 OE2 GLU A 76 10.117 5.770 1.947 1.00 4.07 O ATOM 0 H GLU A 76 7.058 5.764 -2.605 1.00 0.99 H new ATOM 0 HA GLU A 76 7.476 3.048 -1.470 1.00 0.99 H new ATOM 0 HB2 GLU A 76 9.680 4.241 -1.607 1.00 1.48 H new ATOM 0 HB3 GLU A 76 8.961 5.647 -0.847 1.00 1.48 H new ATOM 0 HG2 GLU A 76 8.542 4.005 1.183 1.00 2.17 H new ATOM 0 HG3 GLU A 76 9.785 3.037 0.415 1.00 2.17 H new ATOM 1192 N LEU A 77 5.528 3.654 -0.106 1.00 1.11 N ATOM 1193 CA LEU A 77 4.398 3.907 0.787 1.00 1.19 C ATOM 1194 C LEU A 77 4.889 3.872 2.243 1.00 1.39 C ATOM 1195 O LEU A 77 4.834 2.849 2.927 1.00 1.64 O ATOM 1196 CB LEU A 77 3.246 2.917 0.498 1.00 1.20 C ATOM 1197 CG LEU A 77 2.387 3.267 -0.736 1.00 1.03 C ATOM 1198 CD1 LEU A 77 3.057 2.886 -2.065 1.00 0.94 C ATOM 1199 CD2 LEU A 77 1.005 2.602 -0.625 1.00 1.16 C ATOM 0 H LEU A 77 5.569 2.691 -0.441 1.00 1.11 H new ATOM 0 HA LEU A 77 3.986 4.900 0.609 1.00 1.19 H new ATOM 0 HB2 LEU A 77 3.667 1.921 0.359 1.00 1.20 H new ATOM 0 HB3 LEU A 77 2.598 2.870 1.373 1.00 1.20 H new ATOM 0 HG LEU A 77 2.275 4.351 -0.744 1.00 1.03 H new ATOM 0 HD11 LEU A 77 2.403 3.158 -2.893 1.00 0.94 H new ATOM 0 HD12 LEU A 77 4.004 3.418 -2.161 1.00 0.94 H new ATOM 0 HD13 LEU A 77 3.241 1.812 -2.085 1.00 0.94 H new ATOM 0 HD21 LEU A 77 0.408 2.856 -1.501 1.00 1.16 H new ATOM 0 HD22 LEU A 77 1.125 1.520 -0.569 1.00 1.16 H new ATOM 0 HD23 LEU A 77 0.501 2.958 0.273 1.00 1.16 H new ATOM 1211 N LYS A 78 5.430 5.007 2.705 1.00 1.51 N ATOM 1212 CA LYS A 78 5.905 5.146 4.082 1.00 1.59 C ATOM 1213 C LYS A 78 4.699 5.221 5.046 1.00 1.30 C ATOM 1214 O LYS A 78 3.738 5.903 4.701 1.00 1.21 O ATOM 1215 CB LYS A 78 6.889 6.330 4.224 1.00 1.83 C ATOM 1216 CG LYS A 78 6.330 7.751 4.001 1.00 2.01 C ATOM 1217 CD LYS A 78 6.241 8.266 2.558 1.00 2.26 C ATOM 1218 CE LYS A 78 7.619 8.577 1.967 1.00 2.51 C ATOM 1219 NZ LYS A 78 8.212 7.432 1.247 1.00 2.76 N ATOM 0 H LYS A 78 5.549 5.846 2.138 1.00 1.51 H new ATOM 0 HA LYS A 78 6.480 4.263 4.359 1.00 1.59 H new ATOM 0 HB2 LYS A 78 7.320 6.291 5.224 1.00 1.83 H new ATOM 0 HB3 LYS A 78 7.706 6.175 3.519 1.00 1.83 H new ATOM 0 HG2 LYS A 78 5.330 7.789 4.433 1.00 2.01 H new ATOM 0 HG3 LYS A 78 6.948 8.447 4.568 1.00 2.01 H new ATOM 0 HD2 LYS A 78 5.742 7.521 1.939 1.00 2.26 H new ATOM 0 HD3 LYS A 78 5.626 9.165 2.533 1.00 2.26 H new ATOM 0 HE2 LYS A 78 7.533 9.422 1.285 1.00 2.51 H new ATOM 0 HE3 LYS A 78 8.291 8.882 2.769 1.00 2.51 H new ATOM 0 HZ1 LYS A 78 8.784 7.781 0.451 1.00 2.76 H new ATOM 0 HZ2 LYS A 78 8.817 6.889 1.896 1.00 2.76 H new ATOM 0 HZ3 LYS A 78 7.454 6.819 0.886 1.00 2.76 H new ATOM 1233 N PRO A 79 4.740 4.624 6.257 1.00 1.24 N ATOM 1234 CA PRO A 79 3.612 4.652 7.192 1.00 1.09 C ATOM 1235 C PRO A 79 3.196 6.083 7.570 1.00 1.11 C ATOM 1236 O PRO A 79 2.002 6.372 7.590 1.00 1.11 O ATOM 1237 CB PRO A 79 4.050 3.816 8.400 1.00 1.09 C ATOM 1238 CG PRO A 79 5.576 3.788 8.313 1.00 1.31 C ATOM 1239 CD PRO A 79 5.841 3.852 6.810 1.00 1.38 C ATOM 0 HA PRO A 79 2.714 4.233 6.739 1.00 1.09 H new ATOM 0 HB2 PRO A 79 3.714 4.264 9.335 1.00 1.09 H new ATOM 0 HB3 PRO A 79 3.632 2.810 8.359 1.00 1.09 H new ATOM 0 HG2 PRO A 79 6.025 4.632 8.837 1.00 1.31 H new ATOM 0 HG3 PRO A 79 5.988 2.881 8.756 1.00 1.31 H new ATOM 0 HD2 PRO A 79 6.799 4.328 6.600 1.00 1.38 H new ATOM 0 HD3 PRO A 79 5.878 2.853 6.375 1.00 1.38 H new ATOM 1247 N GLY A 80 4.159 6.999 7.762 1.00 1.26 N ATOM 1248 CA GLY A 80 3.913 8.444 7.825 1.00 1.34 C ATOM 1249 C GLY A 80 3.863 9.063 6.427 1.00 1.40 C ATOM 1250 O GLY A 80 4.728 9.859 6.076 1.00 1.80 O ATOM 0 H GLY A 80 5.141 6.751 7.879 1.00 1.26 H new ATOM 0 HA2 GLY A 80 2.972 8.632 8.342 1.00 1.34 H new ATOM 0 HA3 GLY A 80 4.699 8.923 8.409 1.00 1.34 H new ATOM 1254 N GLY A 81 2.904 8.624 5.608 1.00 1.13 N ATOM 1255 CA GLY A 81 2.726 9.061 4.219 1.00 1.20 C ATOM 1256 C GLY A 81 1.559 8.398 3.502 1.00 1.01 C ATOM 1257 O GLY A 81 0.583 9.057 3.180 1.00 1.02 O ATOM 0 H GLY A 81 2.210 7.936 5.900 1.00 1.13 H new ATOM 0 HA2 GLY A 81 2.580 10.141 4.205 1.00 1.20 H new ATOM 0 HA3 GLY A 81 3.642 8.856 3.665 1.00 1.20 H new ATOM 1261 N TYR A 82 1.677 7.102 3.219 1.00 0.94 N ATOM 1262 CA TYR A 82 0.755 6.310 2.394 1.00 0.77 C ATOM 1263 C TYR A 82 0.841 4.844 2.817 1.00 0.87 C ATOM 1264 O TYR A 82 1.921 4.369 3.155 1.00 1.05 O ATOM 1265 CB TYR A 82 1.104 6.468 0.907 1.00 0.71 C ATOM 1266 CG TYR A 82 1.115 7.911 0.453 1.00 0.68 C ATOM 1267 CD1 TYR A 82 -0.101 8.578 0.207 1.00 1.84 C ATOM 1268 CD2 TYR A 82 2.332 8.622 0.434 1.00 1.67 C ATOM 1269 CE1 TYR A 82 -0.111 9.972 0.006 1.00 1.96 C ATOM 1270 CE2 TYR A 82 2.330 10.013 0.240 1.00 1.66 C ATOM 1271 CZ TYR A 82 1.108 10.695 0.033 1.00 0.90 C ATOM 1272 OH TYR A 82 1.109 12.046 -0.122 1.00 1.06 O ATOM 0 H TYR A 82 2.454 6.545 3.574 1.00 0.94 H new ATOM 0 HA TYR A 82 -0.265 6.665 2.540 1.00 0.77 H new ATOM 0 HB2 TYR A 82 2.083 6.027 0.720 1.00 0.71 H new ATOM 0 HB3 TYR A 82 0.383 5.910 0.309 1.00 0.71 H new ATOM 0 HD1 TYR A 82 -1.025 8.021 0.173 1.00 1.84 H new ATOM 0 HD2 TYR A 82 3.266 8.097 0.569 1.00 1.67 H new ATOM 0 HE1 TYR A 82 -1.044 10.488 -0.168 1.00 1.96 H new ATOM 0 HE2 TYR A 82 3.260 10.561 0.249 1.00 1.66 H new ATOM 0 HH TYR A 82 2.029 12.380 -0.076 1.00 1.06 H new ATOM 1282 N HIS A 83 -0.266 4.112 2.808 1.00 0.79 N ATOM 1283 CA HIS A 83 -0.305 2.713 3.234 1.00 0.86 C ATOM 1284 C HIS A 83 -1.631 2.067 2.812 1.00 0.81 C ATOM 1285 O HIS A 83 -2.586 2.774 2.491 1.00 0.76 O ATOM 1286 CB HIS A 83 -0.063 2.598 4.755 1.00 0.94 C ATOM 1287 CG HIS A 83 -1.132 3.220 5.618 1.00 0.88 C ATOM 1288 ND1 HIS A 83 -1.181 4.517 6.091 1.00 1.05 N ATOM 1289 CD2 HIS A 83 -2.229 2.575 6.120 1.00 0.79 C ATOM 1290 CE1 HIS A 83 -2.287 4.641 6.841 1.00 1.05 C ATOM 1291 NE2 HIS A 83 -2.951 3.477 6.901 1.00 0.90 N ATOM 0 H HIS A 83 -1.170 4.472 2.503 1.00 0.79 H new ATOM 0 HA HIS A 83 0.500 2.169 2.739 1.00 0.86 H new ATOM 0 HB2 HIS A 83 0.025 1.543 5.015 1.00 0.94 H new ATOM 0 HB3 HIS A 83 0.893 3.066 4.992 1.00 0.94 H new ATOM 0 HD2 HIS A 83 -2.491 1.543 5.942 1.00 0.79 H new ATOM 0 HE1 HIS A 83 -2.599 5.552 7.329 1.00 1.05 H new ATOM 0 HE2 HIS A 83 -3.812 3.289 7.415 1.00 0.90 H new ATOM 1299 N PHE A 84 -1.708 0.738 2.857 1.00 0.87 N ATOM 1300 CA PHE A 84 -2.965 0.021 2.703 1.00 0.88 C ATOM 1301 C PHE A 84 -3.541 -0.320 4.073 1.00 0.94 C ATOM 1302 O PHE A 84 -2.837 -0.872 4.916 1.00 1.19 O ATOM 1303 CB PHE A 84 -2.738 -1.271 1.912 1.00 1.01 C ATOM 1304 CG PHE A 84 -2.601 -1.079 0.413 1.00 0.94 C ATOM 1305 CD1 PHE A 84 -3.694 -0.586 -0.325 1.00 2.02 C ATOM 1306 CD2 PHE A 84 -1.412 -1.427 -0.258 1.00 2.08 C ATOM 1307 CE1 PHE A 84 -3.611 -0.460 -1.719 1.00 2.08 C ATOM 1308 CE2 PHE A 84 -1.322 -1.276 -1.656 1.00 2.03 C ATOM 1309 CZ PHE A 84 -2.416 -0.779 -2.382 1.00 0.96 C ATOM 0 H PHE A 84 -0.900 0.132 3.001 1.00 0.87 H new ATOM 0 HA PHE A 84 -3.667 0.657 2.163 1.00 0.88 H new ATOM 0 HB2 PHE A 84 -1.837 -1.757 2.286 1.00 1.01 H new ATOM 0 HB3 PHE A 84 -3.569 -1.949 2.104 1.00 1.01 H new ATOM 0 HD1 PHE A 84 -4.602 -0.303 0.186 1.00 2.02 H new ATOM 0 HD2 PHE A 84 -0.570 -1.809 0.299 1.00 2.08 H new ATOM 0 HE1 PHE A 84 -4.466 -0.118 -2.282 1.00 2.08 H new ATOM 0 HE2 PHE A 84 -0.410 -1.543 -2.170 1.00 2.03 H new ATOM 0 HZ PHE A 84 -2.338 -0.642 -3.450 1.00 0.96 H new ATOM 1319 N MET A 85 -4.843 -0.117 4.251 1.00 0.73 N ATOM 1320 CA MET A 85 -5.645 -0.889 5.202 1.00 0.63 C ATOM 1321 C MET A 85 -5.991 -2.237 4.580 1.00 0.59 C ATOM 1322 O MET A 85 -6.452 -2.266 3.443 1.00 0.74 O ATOM 1323 CB MET A 85 -6.934 -0.120 5.543 1.00 0.77 C ATOM 1324 CG MET A 85 -6.721 0.878 6.682 1.00 0.89 C ATOM 1325 SD MET A 85 -6.348 0.084 8.269 1.00 1.17 S ATOM 1326 CE MET A 85 -4.603 0.536 8.391 1.00 1.03 C ATOM 0 H MET A 85 -5.375 0.588 3.740 1.00 0.73 H new ATOM 0 HA MET A 85 -5.078 -1.046 6.120 1.00 0.63 H new ATOM 0 HB2 MET A 85 -7.285 0.410 4.658 1.00 0.77 H new ATOM 0 HB3 MET A 85 -7.715 -0.827 5.822 1.00 0.77 H new ATOM 0 HG2 MET A 85 -5.904 1.550 6.419 1.00 0.89 H new ATOM 0 HG3 MET A 85 -7.616 1.491 6.791 1.00 0.89 H new ATOM 0 HE1 MET A 85 -4.102 -0.132 9.092 1.00 1.03 H new ATOM 0 HE2 MET A 85 -4.135 0.450 7.410 1.00 1.03 H new ATOM 0 HE3 MET A 85 -4.517 1.563 8.745 1.00 1.03 H new ATOM 1336 N LEU A 86 -5.806 -3.328 5.331 1.00 0.58 N ATOM 1337 CA LEU A 86 -6.375 -4.647 5.035 1.00 0.58 C ATOM 1338 C LEU A 86 -7.540 -4.906 5.996 1.00 0.51 C ATOM 1339 O LEU A 86 -7.436 -4.600 7.188 1.00 0.66 O ATOM 1340 CB LEU A 86 -5.319 -5.757 5.205 1.00 0.71 C ATOM 1341 CG LEU A 86 -4.013 -5.626 4.393 1.00 0.99 C ATOM 1342 CD1 LEU A 86 -3.239 -6.953 4.470 1.00 1.97 C ATOM 1343 CD2 LEU A 86 -4.245 -5.259 2.923 1.00 1.04 C ATOM 0 H LEU A 86 -5.243 -3.318 6.182 1.00 0.58 H new ATOM 0 HA LEU A 86 -6.719 -4.658 4.001 1.00 0.58 H new ATOM 0 HB2 LEU A 86 -5.055 -5.812 6.261 1.00 0.71 H new ATOM 0 HB3 LEU A 86 -5.784 -6.707 4.943 1.00 0.71 H new ATOM 0 HG LEU A 86 -3.443 -4.809 4.835 1.00 0.99 H new ATOM 0 HD11 LEU A 86 -2.315 -6.869 3.899 1.00 1.97 H new ATOM 0 HD12 LEU A 86 -3.003 -7.177 5.510 1.00 1.97 H new ATOM 0 HD13 LEU A 86 -3.850 -7.755 4.056 1.00 1.97 H new ATOM 0 HD21 LEU A 86 -3.286 -5.183 2.411 1.00 1.04 H new ATOM 0 HD22 LEU A 86 -4.851 -6.030 2.447 1.00 1.04 H new ATOM 0 HD23 LEU A 86 -4.764 -4.302 2.864 1.00 1.04 H new ATOM 1355 N LEU A 87 -8.632 -5.491 5.498 1.00 0.80 N ATOM 1356 CA LEU A 87 -9.867 -5.729 6.250 1.00 0.82 C ATOM 1357 C LEU A 87 -10.435 -7.125 5.965 1.00 0.91 C ATOM 1358 O LEU A 87 -10.492 -7.573 4.819 1.00 1.25 O ATOM 1359 CB LEU A 87 -10.880 -4.623 5.880 1.00 0.92 C ATOM 1360 CG LEU A 87 -10.834 -3.427 6.850 1.00 1.03 C ATOM 1361 CD1 LEU A 87 -11.344 -2.147 6.177 1.00 1.74 C ATOM 1362 CD2 LEU A 87 -11.695 -3.725 8.088 1.00 2.63 C ATOM 0 H LEU A 87 -8.683 -5.821 4.534 1.00 0.80 H new ATOM 0 HA LEU A 87 -9.658 -5.693 7.319 1.00 0.82 H new ATOM 0 HB2 LEU A 87 -10.676 -4.273 4.868 1.00 0.92 H new ATOM 0 HB3 LEU A 87 -11.886 -5.044 5.875 1.00 0.92 H new ATOM 0 HG LEU A 87 -9.796 -3.275 7.146 1.00 1.03 H new ATOM 0 HD11 LEU A 87 -11.300 -1.320 6.886 1.00 1.74 H new ATOM 0 HD12 LEU A 87 -10.721 -1.917 5.313 1.00 1.74 H new ATOM 0 HD13 LEU A 87 -12.375 -2.292 5.853 1.00 1.74 H new ATOM 0 HD21 LEU A 87 -11.658 -2.875 8.770 1.00 2.63 H new ATOM 0 HD22 LEU A 87 -12.726 -3.899 7.781 1.00 2.63 H new ATOM 0 HD23 LEU A 87 -11.312 -4.612 8.593 1.00 2.63 H new ATOM 1374 N GLY A 88 -10.875 -7.820 7.017 1.00 0.78 N ATOM 1375 CA GLY A 88 -11.466 -9.156 6.907 1.00 0.87 C ATOM 1376 C GLY A 88 -10.458 -10.165 6.366 1.00 0.92 C ATOM 1377 O GLY A 88 -10.791 -10.933 5.464 1.00 1.66 O ATOM 0 H GLY A 88 -10.831 -7.470 7.974 1.00 0.78 H new ATOM 0 HA2 GLY A 88 -11.820 -9.481 7.885 1.00 0.87 H new ATOM 0 HA3 GLY A 88 -12.335 -9.119 6.250 1.00 0.87 H new ATOM 1381 N LEU A 89 -9.205 -10.120 6.843 1.00 0.76 N ATOM 1382 CA LEU A 89 -8.120 -10.949 6.302 1.00 0.80 C ATOM 1383 C LEU A 89 -8.277 -12.454 6.597 1.00 0.90 C ATOM 1384 O LEU A 89 -7.734 -13.019 7.545 1.00 1.85 O ATOM 1385 CB LEU A 89 -6.718 -10.376 6.554 1.00 1.55 C ATOM 1386 CG LEU A 89 -6.432 -9.750 7.935 1.00 0.79 C ATOM 1387 CD1 LEU A 89 -5.026 -10.167 8.364 1.00 1.37 C ATOM 1388 CD2 LEU A 89 -6.488 -8.217 7.865 1.00 1.33 C ATOM 0 H LEU A 89 -8.918 -9.512 7.610 1.00 0.76 H new ATOM 0 HA LEU A 89 -8.229 -10.891 5.219 1.00 0.80 H new ATOM 0 HB2 LEU A 89 -5.996 -11.176 6.393 1.00 1.55 H new ATOM 0 HB3 LEU A 89 -6.526 -9.616 5.796 1.00 1.55 H new ATOM 0 HG LEU A 89 -7.184 -10.094 8.645 1.00 0.79 H new ATOM 0 HD11 LEU A 89 -4.800 -9.736 9.339 1.00 1.37 H new ATOM 0 HD12 LEU A 89 -4.972 -11.254 8.426 1.00 1.37 H new ATOM 0 HD13 LEU A 89 -4.301 -9.809 7.633 1.00 1.37 H new ATOM 0 HD21 LEU A 89 -6.283 -7.800 8.851 1.00 1.33 H new ATOM 0 HD22 LEU A 89 -5.742 -7.858 7.157 1.00 1.33 H new ATOM 0 HD23 LEU A 89 -7.479 -7.904 7.538 1.00 1.33 H new ATOM 1400 N LYS A 90 -9.000 -13.115 5.692 1.00 0.85 N ATOM 1401 CA LYS A 90 -9.328 -14.545 5.666 1.00 1.04 C ATOM 1402 C LYS A 90 -8.135 -15.499 5.420 1.00 0.83 C ATOM 1403 O LYS A 90 -8.303 -16.726 5.366 1.00 0.93 O ATOM 1404 CB LYS A 90 -10.536 -14.764 4.727 1.00 2.01 C ATOM 1405 CG LYS A 90 -10.461 -14.113 3.328 1.00 1.17 C ATOM 1406 CD LYS A 90 -11.796 -14.333 2.597 1.00 2.10 C ATOM 1407 CE LYS A 90 -11.948 -13.472 1.339 1.00 1.62 C ATOM 1408 NZ LYS A 90 -13.329 -13.553 0.805 1.00 2.09 N ATOM 0 H LYS A 90 -9.405 -12.627 4.893 1.00 0.85 H new ATOM 0 HA LYS A 90 -9.615 -14.837 6.676 1.00 1.04 H new ATOM 0 HB2 LYS A 90 -10.673 -15.837 4.595 1.00 2.01 H new ATOM 0 HB3 LYS A 90 -11.428 -14.388 5.229 1.00 2.01 H new ATOM 0 HG2 LYS A 90 -10.254 -13.047 3.420 1.00 1.17 H new ATOM 0 HG3 LYS A 90 -9.642 -14.548 2.755 1.00 1.17 H new ATOM 0 HD2 LYS A 90 -11.883 -15.384 2.322 1.00 2.10 H new ATOM 0 HD3 LYS A 90 -12.617 -14.114 3.280 1.00 2.10 H new ATOM 0 HE2 LYS A 90 -11.704 -12.435 1.572 1.00 1.62 H new ATOM 0 HE3 LYS A 90 -11.240 -13.803 0.579 1.00 1.62 H new ATOM 0 HZ1 LYS A 90 -13.552 -12.681 0.284 1.00 2.09 H new ATOM 0 HZ2 LYS A 90 -13.406 -14.368 0.164 1.00 2.09 H new ATOM 0 HZ3 LYS A 90 -13.999 -13.667 1.592 1.00 2.09 H new ATOM 1422 N ARG A 91 -6.914 -14.954 5.369 1.00 1.18 N ATOM 1423 CA ARG A 91 -5.691 -15.612 5.839 1.00 1.54 C ATOM 1424 C ARG A 91 -4.948 -14.678 6.829 1.00 1.53 C ATOM 1425 O ARG A 91 -4.318 -13.719 6.383 1.00 1.74 O ATOM 1426 CB ARG A 91 -4.787 -15.999 4.651 1.00 1.96 C ATOM 1427 CG ARG A 91 -5.372 -17.078 3.721 1.00 2.25 C ATOM 1428 CD ARG A 91 -5.527 -18.433 4.427 1.00 2.63 C ATOM 1429 NE ARG A 91 -6.024 -19.485 3.520 1.00 3.66 N ATOM 1430 CZ ARG A 91 -7.288 -19.871 3.361 1.00 5.24 C ATOM 1431 NH1 ARG A 91 -8.293 -19.259 3.955 1.00 6.31 N ATOM 1432 NH2 ARG A 91 -7.557 -20.902 2.586 1.00 6.26 N ATOM 0 H ARG A 91 -6.746 -14.022 4.991 1.00 1.18 H new ATOM 0 HA ARG A 91 -5.957 -16.532 6.359 1.00 1.54 H new ATOM 0 HB2 ARG A 91 -4.581 -15.105 4.063 1.00 1.96 H new ATOM 0 HB3 ARG A 91 -3.832 -16.352 5.039 1.00 1.96 H new ATOM 0 HG2 ARG A 91 -6.344 -16.749 3.353 1.00 2.25 H new ATOM 0 HG3 ARG A 91 -4.725 -17.195 2.852 1.00 2.25 H new ATOM 0 HD2 ARG A 91 -4.565 -18.737 4.839 1.00 2.63 H new ATOM 0 HD3 ARG A 91 -6.214 -18.326 5.266 1.00 2.63 H new ATOM 0 HE ARG A 91 -5.325 -19.968 2.955 1.00 3.66 H new ATOM 0 HH11 ARG A 91 -8.116 -18.459 4.562 1.00 6.31 H new ATOM 0 HH12 ARG A 91 -9.248 -19.586 3.807 1.00 6.31 H new ATOM 0 HH21 ARG A 91 -6.800 -21.397 2.114 1.00 6.26 H new ATOM 0 HH22 ARG A 91 -8.522 -21.206 2.458 1.00 6.26 H new ATOM 1446 N PRO A 92 -4.974 -14.951 8.151 1.00 1.45 N ATOM 1447 CA PRO A 92 -4.177 -14.219 9.135 1.00 1.38 C ATOM 1448 C PRO A 92 -2.683 -14.521 8.969 1.00 1.12 C ATOM 1449 O PRO A 92 -2.317 -15.648 8.630 1.00 1.26 O ATOM 1450 CB PRO A 92 -4.707 -14.654 10.502 1.00 1.68 C ATOM 1451 CG PRO A 92 -5.268 -16.049 10.251 1.00 1.76 C ATOM 1452 CD PRO A 92 -5.788 -15.962 8.820 1.00 1.65 C ATOM 0 HA PRO A 92 -4.268 -13.140 9.011 1.00 1.38 H new ATOM 0 HB2 PRO A 92 -3.915 -14.671 11.251 1.00 1.68 H new ATOM 0 HB3 PRO A 92 -5.476 -13.974 10.867 1.00 1.68 H new ATOM 0 HG2 PRO A 92 -4.501 -16.816 10.355 1.00 1.76 H new ATOM 0 HG3 PRO A 92 -6.063 -16.296 10.954 1.00 1.76 H new ATOM 0 HD2 PRO A 92 -5.704 -16.925 8.316 1.00 1.65 H new ATOM 0 HD3 PRO A 92 -6.842 -15.685 8.805 1.00 1.65 H new ATOM 1460 N LEU A 93 -1.826 -13.518 9.208 1.00 1.10 N ATOM 1461 CA LEU A 93 -0.367 -13.615 9.049 1.00 1.28 C ATOM 1462 C LEU A 93 0.283 -14.193 10.314 1.00 1.48 C ATOM 1463 O LEU A 93 0.086 -13.663 11.408 1.00 1.81 O ATOM 1464 CB LEU A 93 0.246 -12.238 8.686 1.00 1.43 C ATOM 1465 CG LEU A 93 -0.203 -11.575 7.360 1.00 1.63 C ATOM 1466 CD1 LEU A 93 -0.432 -12.571 6.209 1.00 2.07 C ATOM 1467 CD2 LEU A 93 -1.457 -10.707 7.539 1.00 1.81 C ATOM 0 H LEU A 93 -2.133 -12.598 9.524 1.00 1.10 H new ATOM 0 HA LEU A 93 -0.162 -14.298 8.224 1.00 1.28 H new ATOM 0 HB2 LEU A 93 0.022 -11.547 9.499 1.00 1.43 H new ATOM 0 HB3 LEU A 93 1.330 -12.352 8.654 1.00 1.43 H new ATOM 0 HG LEU A 93 0.638 -10.940 7.080 1.00 1.63 H new ATOM 0 HD11 LEU A 93 -0.744 -12.030 5.316 1.00 2.07 H new ATOM 0 HD12 LEU A 93 0.494 -13.108 6.003 1.00 2.07 H new ATOM 0 HD13 LEU A 93 -1.208 -13.282 6.492 1.00 2.07 H new ATOM 0 HD21 LEU A 93 -1.732 -10.264 6.582 1.00 1.81 H new ATOM 0 HD22 LEU A 93 -2.278 -11.325 7.903 1.00 1.81 H new ATOM 0 HD23 LEU A 93 -1.252 -9.915 8.260 1.00 1.81 H new ATOM 1479 N LYS A 94 1.077 -15.257 10.152 1.00 1.65 N ATOM 1480 CA LYS A 94 1.712 -16.008 11.254 1.00 2.10 C ATOM 1481 C LYS A 94 3.169 -15.598 11.497 1.00 2.62 C ATOM 1482 O LYS A 94 3.624 -15.686 12.633 1.00 4.70 O ATOM 1483 CB LYS A 94 1.682 -17.505 10.914 1.00 2.19 C ATOM 1484 CG LYS A 94 0.261 -18.062 10.708 1.00 2.82 C ATOM 1485 CD LYS A 94 0.221 -19.138 9.607 1.00 3.29 C ATOM 1486 CE LYS A 94 -0.997 -18.912 8.707 1.00 4.47 C ATOM 1487 NZ LYS A 94 -0.750 -17.775 7.796 1.00 4.95 N ATOM 0 H LYS A 94 1.305 -15.633 9.232 1.00 1.65 H new ATOM 0 HA LYS A 94 1.150 -15.785 12.161 1.00 2.10 H new ATOM 0 HB2 LYS A 94 2.265 -17.675 10.009 1.00 2.19 H new ATOM 0 HB3 LYS A 94 2.169 -18.061 11.715 1.00 2.19 H new ATOM 0 HG2 LYS A 94 -0.102 -18.486 11.644 1.00 2.82 H new ATOM 0 HG3 LYS A 94 -0.414 -17.247 10.445 1.00 2.82 H new ATOM 0 HD2 LYS A 94 1.135 -19.100 9.014 1.00 3.29 H new ATOM 0 HD3 LYS A 94 0.174 -20.130 10.056 1.00 3.29 H new ATOM 0 HE2 LYS A 94 -1.204 -19.813 8.129 1.00 4.47 H new ATOM 0 HE3 LYS A 94 -1.878 -18.715 9.317 1.00 4.47 H new ATOM 0 HZ1 LYS A 94 -1.621 -17.216 7.695 1.00 4.95 H new ATOM 0 HZ2 LYS A 94 0.004 -17.175 8.187 1.00 4.95 H new ATOM 0 HZ3 LYS A 94 -0.459 -18.134 6.864 1.00 4.95 H new ATOM 1501 N ALA A 95 3.830 -15.194 10.408 1.00 1.38 N ATOM 1502 CA ALA A 95 5.190 -14.649 10.219 1.00 1.33 C ATOM 1503 C ALA A 95 5.988 -15.524 9.242 1.00 1.17 C ATOM 1504 O ALA A 95 5.753 -16.729 9.163 1.00 1.38 O ATOM 1505 CB ALA A 95 5.978 -14.456 11.527 1.00 1.50 C ATOM 0 H ALA A 95 3.359 -15.248 9.505 1.00 1.38 H new ATOM 0 HA ALA A 95 5.054 -13.652 9.801 1.00 1.33 H new ATOM 0 HB1 ALA A 95 6.965 -14.053 11.301 1.00 1.50 H new ATOM 0 HB2 ALA A 95 5.443 -13.763 12.175 1.00 1.50 H new ATOM 0 HB3 ALA A 95 6.085 -15.416 12.032 1.00 1.50 H new ATOM 1511 N GLY A 96 6.931 -14.923 8.505 1.00 1.31 N ATOM 1512 CA GLY A 96 7.793 -15.650 7.564 1.00 1.50 C ATOM 1513 C GLY A 96 7.033 -16.261 6.385 1.00 1.54 C ATOM 1514 O GLY A 96 7.364 -17.364 5.963 1.00 1.94 O ATOM 0 H GLY A 96 7.118 -13.921 8.544 1.00 1.31 H new ATOM 0 HA2 GLY A 96 8.554 -14.970 7.182 1.00 1.50 H new ATOM 0 HA3 GLY A 96 8.314 -16.443 8.100 1.00 1.50 H new ATOM 1518 N GLU A 97 6.010 -15.566 5.873 1.00 1.39 N ATOM 1519 CA GLU A 97 5.204 -15.990 4.728 1.00 1.34 C ATOM 1520 C GLU A 97 5.370 -14.956 3.600 1.00 1.17 C ATOM 1521 O GLU A 97 6.166 -14.015 3.708 1.00 1.26 O ATOM 1522 CB GLU A 97 3.728 -16.134 5.162 1.00 1.51 C ATOM 1523 CG GLU A 97 3.525 -17.107 6.332 1.00 2.04 C ATOM 1524 CD GLU A 97 2.062 -17.218 6.740 1.00 1.92 C ATOM 1525 OE1 GLU A 97 1.330 -18.067 6.180 1.00 2.21 O ATOM 1526 OE2 GLU A 97 1.633 -16.484 7.670 1.00 2.91 O ATOM 0 H GLU A 97 5.714 -14.668 6.257 1.00 1.39 H new ATOM 0 HA GLU A 97 5.535 -16.960 4.358 1.00 1.34 H new ATOM 0 HB2 GLU A 97 3.343 -15.154 5.444 1.00 1.51 H new ATOM 0 HB3 GLU A 97 3.139 -16.474 4.310 1.00 1.51 H new ATOM 0 HG2 GLU A 97 3.898 -18.092 6.052 1.00 2.04 H new ATOM 0 HG3 GLU A 97 4.114 -16.774 7.186 1.00 2.04 H new ATOM 1533 N GLU A 98 4.583 -15.080 2.535 1.00 1.17 N ATOM 1534 CA GLU A 98 4.535 -14.122 1.434 1.00 1.13 C ATOM 1535 C GLU A 98 3.099 -13.950 0.929 1.00 0.93 C ATOM 1536 O GLU A 98 2.215 -14.746 1.242 1.00 1.20 O ATOM 1537 CB GLU A 98 5.526 -14.513 0.324 1.00 1.57 C ATOM 1538 CG GLU A 98 5.203 -15.838 -0.391 1.00 1.94 C ATOM 1539 CD GLU A 98 6.260 -16.240 -1.427 1.00 2.57 C ATOM 1540 OE1 GLU A 98 7.326 -15.581 -1.471 1.00 3.33 O ATOM 1541 OE2 GLU A 98 5.996 -17.218 -2.158 1.00 3.35 O ATOM 0 H GLU A 98 3.946 -15.867 2.410 1.00 1.17 H new ATOM 0 HA GLU A 98 4.854 -13.145 1.798 1.00 1.13 H new ATOM 0 HB2 GLU A 98 5.554 -13.714 -0.417 1.00 1.57 H new ATOM 0 HB3 GLU A 98 6.524 -14.583 0.756 1.00 1.57 H new ATOM 0 HG2 GLU A 98 5.112 -16.631 0.351 1.00 1.94 H new ATOM 0 HG3 GLU A 98 4.235 -15.750 -0.885 1.00 1.94 H new ATOM 1548 N VAL A 99 2.867 -12.859 0.202 1.00 0.79 N ATOM 1549 CA VAL A 99 1.548 -12.366 -0.194 1.00 0.70 C ATOM 1550 C VAL A 99 1.541 -12.043 -1.680 1.00 0.68 C ATOM 1551 O VAL A 99 2.253 -11.144 -2.121 1.00 0.76 O ATOM 1552 CB VAL A 99 1.174 -11.100 0.615 1.00 0.74 C ATOM 1553 CG1 VAL A 99 -0.093 -10.417 0.050 1.00 0.73 C ATOM 1554 CG2 VAL A 99 1.003 -11.482 2.100 1.00 0.84 C ATOM 0 H VAL A 99 3.625 -12.269 -0.142 1.00 0.79 H new ATOM 0 HA VAL A 99 0.813 -13.144 0.012 1.00 0.70 H new ATOM 0 HB VAL A 99 1.979 -10.371 0.528 1.00 0.74 H new ATOM 0 HG11 VAL A 99 -0.325 -9.532 0.643 1.00 0.73 H new ATOM 0 HG12 VAL A 99 0.082 -10.124 -0.985 1.00 0.73 H new ATOM 0 HG13 VAL A 99 -0.931 -11.112 0.093 1.00 0.73 H new ATOM 0 HG21 VAL A 99 0.739 -10.595 2.676 1.00 0.84 H new ATOM 0 HG22 VAL A 99 0.211 -12.225 2.196 1.00 0.84 H new ATOM 0 HG23 VAL A 99 1.937 -11.896 2.479 1.00 0.84 H new ATOM 1564 N GLU A 100 0.660 -12.737 -2.400 1.00 0.66 N ATOM 1565 CA GLU A 100 0.187 -12.402 -3.746 1.00 0.73 C ATOM 1566 C GLU A 100 -0.675 -11.135 -3.711 1.00 0.66 C ATOM 1567 O GLU A 100 -1.557 -11.002 -2.857 1.00 0.76 O ATOM 1568 CB GLU A 100 -0.676 -13.565 -4.275 1.00 0.98 C ATOM 1569 CG GLU A 100 0.112 -14.564 -5.122 1.00 1.12 C ATOM 1570 CD GLU A 100 0.074 -14.166 -6.593 1.00 1.84 C ATOM 1571 OE1 GLU A 100 0.813 -13.244 -7.006 1.00 3.08 O ATOM 1572 OE2 GLU A 100 -0.704 -14.776 -7.363 1.00 2.41 O ATOM 0 H GLU A 100 0.234 -13.592 -2.043 1.00 0.66 H new ATOM 0 HA GLU A 100 1.049 -12.233 -4.391 1.00 0.73 H new ATOM 0 HB2 GLU A 100 -1.125 -14.089 -3.431 1.00 0.98 H new ATOM 0 HB3 GLU A 100 -1.494 -13.160 -4.870 1.00 0.98 H new ATOM 0 HG2 GLU A 100 1.145 -14.606 -4.777 1.00 1.12 H new ATOM 0 HG3 GLU A 100 -0.306 -15.563 -4.999 1.00 1.12 H new ATOM 1579 N LEU A 101 -0.462 -10.222 -4.661 1.00 0.71 N ATOM 1580 CA LEU A 101 -1.134 -8.918 -4.706 1.00 0.63 C ATOM 1581 C LEU A 101 -1.184 -8.328 -6.123 1.00 0.64 C ATOM 1582 O LEU A 101 -0.153 -8.118 -6.760 1.00 0.70 O ATOM 1583 CB LEU A 101 -0.415 -7.961 -3.732 1.00 0.69 C ATOM 1584 CG LEU A 101 -1.159 -7.699 -2.421 1.00 1.13 C ATOM 1585 CD1 LEU A 101 -0.206 -7.048 -1.434 1.00 1.59 C ATOM 1586 CD2 LEU A 101 -2.339 -6.735 -2.616 1.00 1.45 C ATOM 0 H LEU A 101 0.190 -10.368 -5.432 1.00 0.71 H new ATOM 0 HA LEU A 101 -2.172 -9.053 -4.402 1.00 0.63 H new ATOM 0 HB2 LEU A 101 0.567 -8.373 -3.500 1.00 0.69 H new ATOM 0 HB3 LEU A 101 -0.250 -7.009 -4.236 1.00 0.69 H new ATOM 0 HG LEU A 101 -1.533 -8.657 -2.060 1.00 1.13 H new ATOM 0 HD11 LEU A 101 -0.728 -6.857 -0.496 1.00 1.59 H new ATOM 0 HD12 LEU A 101 0.638 -7.713 -1.251 1.00 1.59 H new ATOM 0 HD13 LEU A 101 0.156 -6.106 -1.845 1.00 1.59 H new ATOM 0 HD21 LEU A 101 -2.840 -6.576 -1.661 1.00 1.45 H new ATOM 0 HD22 LEU A 101 -1.971 -5.782 -2.996 1.00 1.45 H new ATOM 0 HD23 LEU A 101 -3.044 -7.162 -3.329 1.00 1.45 H new ATOM 1598 N ASP A 102 -2.390 -8.010 -6.587 1.00 0.61 N ATOM 1599 CA ASP A 102 -2.666 -7.296 -7.840 1.00 0.60 C ATOM 1600 C ASP A 102 -2.723 -5.785 -7.597 1.00 0.56 C ATOM 1601 O ASP A 102 -3.710 -5.287 -7.054 1.00 0.64 O ATOM 1602 CB ASP A 102 -4.023 -7.736 -8.396 1.00 0.76 C ATOM 1603 CG ASP A 102 -4.032 -9.139 -8.996 1.00 1.00 C ATOM 1604 OD1 ASP A 102 -3.499 -9.309 -10.112 1.00 1.99 O ATOM 1605 OD2 ASP A 102 -4.653 -10.023 -8.363 1.00 1.99 O ATOM 0 H ASP A 102 -3.242 -8.252 -6.081 1.00 0.61 H new ATOM 0 HA ASP A 102 -1.867 -7.527 -8.545 1.00 0.60 H new ATOM 0 HB2 ASP A 102 -4.762 -7.691 -7.596 1.00 0.76 H new ATOM 0 HB3 ASP A 102 -4.337 -7.025 -9.160 1.00 0.76 H new ATOM 1610 N LEU A 103 -1.693 -5.040 -8.006 1.00 0.54 N ATOM 1611 CA LEU A 103 -1.657 -3.579 -7.901 1.00 0.53 C ATOM 1612 C LEU A 103 -2.438 -2.939 -9.059 1.00 0.56 C ATOM 1613 O LEU A 103 -2.077 -3.112 -10.225 1.00 0.67 O ATOM 1614 CB LEU A 103 -0.191 -3.113 -7.870 1.00 0.64 C ATOM 1615 CG LEU A 103 0.696 -3.817 -6.822 1.00 0.80 C ATOM 1616 CD1 LEU A 103 2.110 -3.238 -6.918 1.00 1.12 C ATOM 1617 CD2 LEU A 103 0.162 -3.675 -5.389 1.00 1.22 C ATOM 0 H LEU A 103 -0.852 -5.438 -8.424 1.00 0.54 H new ATOM 0 HA LEU A 103 -2.139 -3.260 -6.977 1.00 0.53 H new ATOM 0 HB2 LEU A 103 0.245 -3.269 -8.857 1.00 0.64 H new ATOM 0 HB3 LEU A 103 -0.171 -2.040 -7.679 1.00 0.64 H new ATOM 0 HG LEU A 103 0.695 -4.885 -7.042 1.00 0.80 H new ATOM 0 HD11 LEU A 103 2.753 -3.724 -6.184 1.00 1.12 H new ATOM 0 HD12 LEU A 103 2.507 -3.411 -7.918 1.00 1.12 H new ATOM 0 HD13 LEU A 103 2.079 -2.167 -6.720 1.00 1.12 H new ATOM 0 HD21 LEU A 103 0.830 -4.191 -4.699 1.00 1.22 H new ATOM 0 HD22 LEU A 103 0.111 -2.619 -5.123 1.00 1.22 H new ATOM 0 HD23 LEU A 103 -0.834 -4.114 -5.327 1.00 1.22 H new ATOM 1629 N LEU A 104 -3.508 -2.202 -8.740 1.00 0.51 N ATOM 1630 CA LEU A 104 -4.504 -1.706 -9.701 1.00 0.52 C ATOM 1631 C LEU A 104 -4.158 -0.290 -10.170 1.00 0.52 C ATOM 1632 O LEU A 104 -4.032 0.629 -9.351 1.00 0.50 O ATOM 1633 CB LEU A 104 -5.912 -1.698 -9.066 1.00 0.51 C ATOM 1634 CG LEU A 104 -6.370 -2.982 -8.361 1.00 0.53 C ATOM 1635 CD1 LEU A 104 -7.802 -2.818 -7.836 1.00 0.56 C ATOM 1636 CD2 LEU A 104 -6.275 -4.225 -9.256 1.00 0.58 C ATOM 0 H LEU A 104 -3.712 -1.926 -7.780 1.00 0.51 H new ATOM 0 HA LEU A 104 -4.495 -2.377 -10.560 1.00 0.52 H new ATOM 0 HB2 LEU A 104 -5.952 -0.883 -8.343 1.00 0.51 H new ATOM 0 HB3 LEU A 104 -6.634 -1.466 -9.849 1.00 0.51 H new ATOM 0 HG LEU A 104 -5.687 -3.141 -7.527 1.00 0.53 H new ATOM 0 HD11 LEU A 104 -8.114 -3.736 -7.338 1.00 0.56 H new ATOM 0 HD12 LEU A 104 -7.837 -1.991 -7.127 1.00 0.56 H new ATOM 0 HD13 LEU A 104 -8.473 -2.611 -8.669 1.00 0.56 H new ATOM 0 HD21 LEU A 104 -6.613 -5.100 -8.701 1.00 0.58 H new ATOM 0 HD22 LEU A 104 -6.904 -4.089 -10.136 1.00 0.58 H new ATOM 0 HD23 LEU A 104 -5.241 -4.370 -9.568 1.00 0.58 H new ATOM 1648 N PHE A 105 -4.075 -0.077 -11.486 1.00 0.58 N ATOM 1649 CA PHE A 105 -3.656 1.199 -12.062 1.00 0.63 C ATOM 1650 C PHE A 105 -4.701 1.804 -13.023 1.00 0.71 C ATOM 1651 O PHE A 105 -5.295 1.113 -13.850 1.00 0.89 O ATOM 1652 CB PHE A 105 -2.305 0.999 -12.764 1.00 0.70 C ATOM 1653 CG PHE A 105 -1.161 0.593 -11.852 1.00 0.65 C ATOM 1654 CD1 PHE A 105 -0.494 1.560 -11.077 1.00 1.84 C ATOM 1655 CD2 PHE A 105 -0.762 -0.755 -11.771 1.00 1.61 C ATOM 1656 CE1 PHE A 105 0.553 1.188 -10.219 1.00 1.84 C ATOM 1657 CE2 PHE A 105 0.281 -1.123 -10.906 1.00 1.67 C ATOM 1658 CZ PHE A 105 0.942 -0.158 -10.131 1.00 0.78 C ATOM 0 H PHE A 105 -4.298 -0.788 -12.182 1.00 0.58 H new ATOM 0 HA PHE A 105 -3.557 1.921 -11.252 1.00 0.63 H new ATOM 0 HB2 PHE A 105 -2.423 0.238 -13.535 1.00 0.70 H new ATOM 0 HB3 PHE A 105 -2.035 1.926 -13.270 1.00 0.70 H new ATOM 0 HD1 PHE A 105 -0.790 2.597 -11.143 1.00 1.84 H new ATOM 0 HD2 PHE A 105 -1.257 -1.503 -12.372 1.00 1.61 H new ATOM 0 HE1 PHE A 105 1.059 1.937 -9.627 1.00 1.84 H new ATOM 0 HE2 PHE A 105 0.577 -2.159 -10.836 1.00 1.67 H new ATOM 0 HZ PHE A 105 1.745 -0.449 -9.471 1.00 0.78 H new ATOM 1668 N ALA A 106 -4.892 3.125 -12.952 1.00 0.72 N ATOM 1669 CA ALA A 106 -5.872 3.862 -13.756 1.00 0.76 C ATOM 1670 C ALA A 106 -5.534 3.850 -15.263 1.00 1.78 C ATOM 1671 O ALA A 106 -4.657 4.592 -15.706 1.00 2.75 O ATOM 1672 CB ALA A 106 -5.966 5.298 -13.217 1.00 1.75 C ATOM 0 H ALA A 106 -4.359 3.724 -12.321 1.00 0.72 H new ATOM 0 HA ALA A 106 -6.838 3.366 -13.666 1.00 0.76 H new ATOM 0 HB1 ALA A 106 -6.692 5.860 -13.805 1.00 1.75 H new ATOM 0 HB2 ALA A 106 -6.283 5.275 -12.174 1.00 1.75 H new ATOM 0 HB3 ALA A 106 -4.990 5.778 -13.289 1.00 1.75 H new ATOM 1678 N GLY A 107 -6.266 3.041 -16.040 1.00 2.31 N ATOM 1679 CA GLY A 107 -6.150 2.944 -17.502 1.00 3.50 C ATOM 1680 C GLY A 107 -5.526 1.628 -17.968 1.00 3.34 C ATOM 1681 O GLY A 107 -4.351 1.593 -18.322 1.00 4.73 O ATOM 0 H GLY A 107 -6.977 2.417 -15.658 1.00 2.31 H new ATOM 0 HA2 GLY A 107 -7.140 3.047 -17.947 1.00 3.50 H new ATOM 0 HA3 GLY A 107 -5.547 3.775 -17.869 1.00 3.50 H new ATOM 1685 N GLY A 108 -6.324 0.551 -17.979 1.00 1.96 N ATOM 1686 CA GLY A 108 -5.982 -0.743 -18.598 1.00 1.95 C ATOM 1687 C GLY A 108 -4.893 -1.563 -17.895 1.00 1.51 C ATOM 1688 O GLY A 108 -4.549 -2.643 -18.364 1.00 1.68 O ATOM 0 H GLY A 108 -7.248 0.553 -17.548 1.00 1.96 H new ATOM 0 HA2 GLY A 108 -6.887 -1.348 -18.649 1.00 1.95 H new ATOM 0 HA3 GLY A 108 -5.663 -0.558 -19.624 1.00 1.95 H new ATOM 1692 N LYS A 109 -4.323 -1.072 -16.795 1.00 1.22 N ATOM 1693 CA LYS A 109 -3.147 -1.660 -16.156 1.00 1.18 C ATOM 1694 C LYS A 109 -3.470 -2.315 -14.805 1.00 1.01 C ATOM 1695 O LYS A 109 -4.040 -1.687 -13.921 1.00 1.00 O ATOM 1696 CB LYS A 109 -2.102 -0.538 -16.005 1.00 1.20 C ATOM 1697 CG LYS A 109 -1.253 -0.394 -17.272 1.00 1.50 C ATOM 1698 CD LYS A 109 -0.812 1.042 -17.580 1.00 3.13 C ATOM 1699 CE LYS A 109 0.165 1.606 -16.542 1.00 3.98 C ATOM 1700 NZ LYS A 109 0.638 2.951 -16.955 1.00 5.74 N ATOM 0 H LYS A 109 -4.671 -0.242 -16.316 1.00 1.22 H new ATOM 0 HA LYS A 109 -2.761 -2.468 -16.777 1.00 1.18 H new ATOM 0 HB2 LYS A 109 -2.606 0.405 -15.793 1.00 1.20 H new ATOM 0 HB3 LYS A 109 -1.456 -0.752 -15.154 1.00 1.20 H new ATOM 0 HG2 LYS A 109 -0.366 -1.020 -17.173 1.00 1.50 H new ATOM 0 HG3 LYS A 109 -1.821 -0.777 -18.120 1.00 1.50 H new ATOM 0 HD2 LYS A 109 -0.343 1.069 -18.564 1.00 3.13 H new ATOM 0 HD3 LYS A 109 -1.692 1.684 -17.629 1.00 3.13 H new ATOM 0 HE2 LYS A 109 -0.323 1.668 -15.569 1.00 3.98 H new ATOM 0 HE3 LYS A 109 1.015 0.933 -16.430 1.00 3.98 H new ATOM 0 HZ1 LYS A 109 1.648 3.050 -16.726 1.00 5.74 H new ATOM 0 HZ2 LYS A 109 0.503 3.067 -17.980 1.00 5.74 H new ATOM 0 HZ3 LYS A 109 0.095 3.680 -16.450 1.00 5.74 H new ATOM 1714 N VAL A 110 -2.988 -3.538 -14.607 1.00 0.98 N ATOM 1715 CA VAL A 110 -2.807 -4.186 -13.309 1.00 0.93 C ATOM 1716 C VAL A 110 -1.476 -4.934 -13.354 1.00 1.02 C ATOM 1717 O VAL A 110 -1.174 -5.566 -14.367 1.00 1.14 O ATOM 1718 CB VAL A 110 -4.003 -5.105 -12.966 1.00 0.93 C ATOM 1719 CG1 VAL A 110 -4.360 -6.106 -14.079 1.00 1.07 C ATOM 1720 CG2 VAL A 110 -3.793 -5.866 -11.651 1.00 0.93 C ATOM 0 H VAL A 110 -2.699 -4.134 -15.383 1.00 0.98 H new ATOM 0 HA VAL A 110 -2.777 -3.448 -12.508 1.00 0.93 H new ATOM 0 HB VAL A 110 -4.844 -4.420 -12.857 1.00 0.93 H new ATOM 0 HG11 VAL A 110 -5.208 -6.714 -13.763 1.00 1.07 H new ATOM 0 HG12 VAL A 110 -4.621 -5.563 -14.987 1.00 1.07 H new ATOM 0 HG13 VAL A 110 -3.504 -6.751 -14.276 1.00 1.07 H new ATOM 0 HG21 VAL A 110 -4.659 -6.497 -11.454 1.00 0.93 H new ATOM 0 HG22 VAL A 110 -2.901 -6.488 -11.729 1.00 0.93 H new ATOM 0 HG23 VAL A 110 -3.669 -5.154 -10.835 1.00 0.93 H new ATOM 1730 N LEU A 111 -0.658 -4.803 -12.304 1.00 1.01 N ATOM 1731 CA LEU A 111 0.619 -5.504 -12.181 1.00 1.02 C ATOM 1732 C LEU A 111 0.562 -6.368 -10.923 1.00 0.90 C ATOM 1733 O LEU A 111 0.569 -5.853 -9.806 1.00 0.98 O ATOM 1734 CB LEU A 111 1.807 -4.517 -12.127 1.00 1.12 C ATOM 1735 CG LEU A 111 1.932 -3.547 -13.322 1.00 1.40 C ATOM 1736 CD1 LEU A 111 3.079 -2.557 -13.065 1.00 1.99 C ATOM 1737 CD2 LEU A 111 2.189 -4.282 -14.646 1.00 1.73 C ATOM 0 H LEU A 111 -0.869 -4.200 -11.509 1.00 1.01 H new ATOM 0 HA LEU A 111 0.780 -6.130 -13.059 1.00 1.02 H new ATOM 0 HB2 LEU A 111 1.724 -3.929 -11.213 1.00 1.12 H new ATOM 0 HB3 LEU A 111 2.730 -5.093 -12.053 1.00 1.12 H new ATOM 0 HG LEU A 111 0.982 -3.020 -13.412 1.00 1.40 H new ATOM 0 HD11 LEU A 111 3.166 -1.873 -13.909 1.00 1.99 H new ATOM 0 HD12 LEU A 111 2.873 -1.989 -12.158 1.00 1.99 H new ATOM 0 HD13 LEU A 111 4.013 -3.106 -12.945 1.00 1.99 H new ATOM 0 HD21 LEU A 111 2.269 -3.556 -15.455 1.00 1.73 H new ATOM 0 HD22 LEU A 111 3.117 -4.849 -14.573 1.00 1.73 H new ATOM 0 HD23 LEU A 111 1.363 -4.963 -14.850 1.00 1.73 H new ATOM 1749 N LYS A 112 0.513 -7.689 -11.095 1.00 0.92 N ATOM 1750 CA LYS A 112 0.531 -8.619 -9.968 1.00 0.98 C ATOM 1751 C LYS A 112 1.963 -8.821 -9.447 1.00 0.98 C ATOM 1752 O LYS A 112 2.868 -9.132 -10.224 1.00 1.23 O ATOM 1753 CB LYS A 112 -0.154 -9.929 -10.379 1.00 1.26 C ATOM 1754 CG LYS A 112 -0.585 -10.746 -9.148 1.00 1.57 C ATOM 1755 CD LYS A 112 -1.433 -11.968 -9.533 1.00 1.61 C ATOM 1756 CE LYS A 112 -0.663 -12.975 -10.395 1.00 1.66 C ATOM 1757 NZ LYS A 112 0.351 -13.688 -9.590 1.00 2.47 N ATOM 0 H LYS A 112 0.460 -8.140 -12.008 1.00 0.92 H new ATOM 0 HA LYS A 112 -0.033 -8.203 -9.133 1.00 0.98 H new ATOM 0 HB2 LYS A 112 -1.026 -9.708 -10.995 1.00 1.26 H new ATOM 0 HB3 LYS A 112 0.527 -10.521 -10.991 1.00 1.26 H new ATOM 0 HG2 LYS A 112 0.300 -11.076 -8.605 1.00 1.57 H new ATOM 0 HG3 LYS A 112 -1.155 -10.109 -8.472 1.00 1.57 H new ATOM 0 HD2 LYS A 112 -1.781 -12.463 -8.627 1.00 1.61 H new ATOM 0 HD3 LYS A 112 -2.318 -11.635 -10.074 1.00 1.61 H new ATOM 0 HE2 LYS A 112 -1.358 -13.693 -10.832 1.00 1.66 H new ATOM 0 HE3 LYS A 112 -0.178 -12.457 -11.222 1.00 1.66 H new ATOM 0 HZ1 LYS A 112 1.146 -13.966 -10.200 1.00 2.47 H new ATOM 0 HZ2 LYS A 112 0.696 -13.063 -8.834 1.00 2.47 H new ATOM 0 HZ3 LYS A 112 -0.075 -14.538 -9.169 1.00 2.47 H new ATOM 1771 N VAL A 113 2.174 -8.641 -8.145 1.00 0.84 N ATOM 1772 CA VAL A 113 3.465 -8.790 -7.451 1.00 0.88 C ATOM 1773 C VAL A 113 3.333 -9.763 -6.276 1.00 0.83 C ATOM 1774 O VAL A 113 2.226 -9.994 -5.791 1.00 0.81 O ATOM 1775 CB VAL A 113 4.026 -7.431 -6.954 1.00 0.93 C ATOM 1776 CG1 VAL A 113 4.244 -6.446 -8.115 1.00 1.14 C ATOM 1777 CG2 VAL A 113 3.174 -6.770 -5.855 1.00 1.11 C ATOM 0 H VAL A 113 1.421 -8.375 -7.511 1.00 0.84 H new ATOM 0 HA VAL A 113 4.172 -9.192 -8.177 1.00 0.88 H new ATOM 0 HB VAL A 113 4.989 -7.673 -6.504 1.00 0.93 H new ATOM 0 HG11 VAL A 113 4.637 -5.507 -7.726 1.00 1.14 H new ATOM 0 HG12 VAL A 113 4.954 -6.871 -8.824 1.00 1.14 H new ATOM 0 HG13 VAL A 113 3.295 -6.261 -8.618 1.00 1.14 H new ATOM 0 HG21 VAL A 113 3.630 -5.825 -5.560 1.00 1.11 H new ATOM 0 HG22 VAL A 113 2.169 -6.585 -6.235 1.00 1.11 H new ATOM 0 HG23 VAL A 113 3.118 -7.432 -4.991 1.00 1.11 H new ATOM 1787 N VAL A 114 4.474 -10.273 -5.804 1.00 0.91 N ATOM 1788 CA VAL A 114 4.601 -10.961 -4.515 1.00 0.83 C ATOM 1789 C VAL A 114 5.442 -10.093 -3.576 1.00 0.86 C ATOM 1790 O VAL A 114 6.452 -9.532 -4.000 1.00 1.06 O ATOM 1791 CB VAL A 114 5.176 -12.392 -4.673 1.00 1.01 C ATOM 1792 CG1 VAL A 114 6.599 -12.422 -5.261 1.00 1.58 C ATOM 1793 CG2 VAL A 114 5.128 -13.154 -3.341 1.00 1.93 C ATOM 0 H VAL A 114 5.354 -10.218 -6.317 1.00 0.91 H new ATOM 0 HA VAL A 114 3.611 -11.095 -4.079 1.00 0.83 H new ATOM 0 HB VAL A 114 4.533 -12.893 -5.397 1.00 1.01 H new ATOM 0 HG11 VAL A 114 6.937 -13.455 -5.343 1.00 1.58 H new ATOM 0 HG12 VAL A 114 6.594 -11.962 -6.249 1.00 1.58 H new ATOM 0 HG13 VAL A 114 7.274 -11.870 -4.607 1.00 1.58 H new ATOM 0 HG21 VAL A 114 5.537 -14.155 -3.479 1.00 1.93 H new ATOM 0 HG22 VAL A 114 5.718 -12.621 -2.595 1.00 1.93 H new ATOM 0 HG23 VAL A 114 4.095 -13.228 -3.001 1.00 1.93 H new ATOM 1803 N LEU A 115 5.016 -9.955 -2.318 1.00 0.81 N ATOM 1804 CA LEU A 115 5.762 -9.292 -1.237 1.00 0.90 C ATOM 1805 C LEU A 115 5.848 -10.245 -0.032 1.00 0.90 C ATOM 1806 O LEU A 115 4.891 -10.988 0.195 1.00 0.98 O ATOM 1807 CB LEU A 115 5.041 -7.999 -0.806 1.00 0.99 C ATOM 1808 CG LEU A 115 4.843 -6.959 -1.924 1.00 1.17 C ATOM 1809 CD1 LEU A 115 3.919 -5.850 -1.414 1.00 1.55 C ATOM 1810 CD2 LEU A 115 6.177 -6.350 -2.385 1.00 1.59 C ATOM 0 H LEU A 115 4.112 -10.313 -2.010 1.00 0.81 H new ATOM 0 HA LEU A 115 6.761 -9.040 -1.593 1.00 0.90 H new ATOM 0 HB2 LEU A 115 4.065 -8.264 -0.400 1.00 0.99 H new ATOM 0 HB3 LEU A 115 5.608 -7.537 0.002 1.00 0.99 H new ATOM 0 HG LEU A 115 4.399 -7.462 -2.783 1.00 1.17 H new ATOM 0 HD11 LEU A 115 3.773 -5.108 -2.199 1.00 1.55 H new ATOM 0 HD12 LEU A 115 2.956 -6.278 -1.135 1.00 1.55 H new ATOM 0 HD13 LEU A 115 4.369 -5.373 -0.544 1.00 1.55 H new ATOM 0 HD21 LEU A 115 5.991 -5.622 -3.174 1.00 1.59 H new ATOM 0 HD22 LEU A 115 6.662 -5.856 -1.543 1.00 1.59 H new ATOM 0 HD23 LEU A 115 6.825 -7.139 -2.765 1.00 1.59 H new ATOM 1822 N PRO A 116 6.929 -10.210 0.769 1.00 0.89 N ATOM 1823 CA PRO A 116 7.042 -10.998 1.991 1.00 0.91 C ATOM 1824 C PRO A 116 6.136 -10.459 3.107 1.00 0.87 C ATOM 1825 O PRO A 116 5.722 -9.297 3.104 1.00 0.89 O ATOM 1826 CB PRO A 116 8.519 -10.912 2.391 1.00 1.00 C ATOM 1827 CG PRO A 116 8.934 -9.539 1.863 1.00 0.99 C ATOM 1828 CD PRO A 116 8.141 -9.430 0.562 1.00 0.93 C ATOM 0 HA PRO A 116 6.721 -12.027 1.828 1.00 0.91 H new ATOM 0 HB2 PRO A 116 8.651 -10.987 3.470 1.00 1.00 H new ATOM 0 HB3 PRO A 116 9.107 -11.713 1.942 1.00 1.00 H new ATOM 0 HG2 PRO A 116 8.679 -8.742 2.561 1.00 0.99 H new ATOM 0 HG3 PRO A 116 10.008 -9.479 1.689 1.00 0.99 H new ATOM 0 HD2 PRO A 116 7.903 -8.391 0.335 1.00 0.93 H new ATOM 0 HD3 PRO A 116 8.716 -9.817 -0.280 1.00 0.93 H new ATOM 1836 N VAL A 117 5.875 -11.303 4.103 1.00 0.91 N ATOM 1837 CA VAL A 117 5.311 -10.932 5.397 1.00 0.93 C ATOM 1838 C VAL A 117 6.460 -10.642 6.365 1.00 1.06 C ATOM 1839 O VAL A 117 7.379 -11.451 6.469 1.00 1.26 O ATOM 1840 CB VAL A 117 4.434 -12.080 5.940 1.00 0.99 C ATOM 1841 CG1 VAL A 117 3.989 -11.870 7.390 1.00 1.13 C ATOM 1842 CG2 VAL A 117 3.188 -12.264 5.061 1.00 0.96 C ATOM 0 H VAL A 117 6.058 -12.303 4.027 1.00 0.91 H new ATOM 0 HA VAL A 117 4.687 -10.045 5.290 1.00 0.93 H new ATOM 0 HB VAL A 117 5.060 -12.972 5.913 1.00 0.99 H new ATOM 0 HG11 VAL A 117 3.376 -12.713 7.708 1.00 1.13 H new ATOM 0 HG12 VAL A 117 4.866 -11.796 8.033 1.00 1.13 H new ATOM 0 HG13 VAL A 117 3.407 -10.951 7.463 1.00 1.13 H new ATOM 0 HG21 VAL A 117 2.580 -13.077 5.457 1.00 0.96 H new ATOM 0 HG22 VAL A 117 2.605 -11.343 5.059 1.00 0.96 H new ATOM 0 HG23 VAL A 117 3.493 -12.503 4.042 1.00 0.96 H new ATOM 1852 N GLU A 118 6.374 -9.536 7.113 1.00 1.01 N ATOM 1853 CA GLU A 118 7.284 -9.205 8.216 1.00 1.07 C ATOM 1854 C GLU A 118 6.616 -8.198 9.165 1.00 1.36 C ATOM 1855 O GLU A 118 5.752 -7.437 8.736 1.00 1.84 O ATOM 1856 CB GLU A 118 8.628 -8.687 7.657 1.00 1.35 C ATOM 1857 CG GLU A 118 9.728 -8.456 8.706 1.00 1.76 C ATOM 1858 CD GLU A 118 9.941 -9.679 9.599 1.00 2.71 C ATOM 1859 OE1 GLU A 118 10.634 -10.617 9.151 1.00 3.95 O ATOM 1860 OE2 GLU A 118 9.354 -9.681 10.705 1.00 3.57 O ATOM 0 H GLU A 118 5.653 -8.830 6.965 1.00 1.01 H new ATOM 0 HA GLU A 118 7.501 -10.102 8.797 1.00 1.07 H new ATOM 0 HB2 GLU A 118 8.996 -9.401 6.920 1.00 1.35 H new ATOM 0 HB3 GLU A 118 8.447 -7.750 7.131 1.00 1.35 H new ATOM 0 HG2 GLU A 118 10.662 -8.209 8.202 1.00 1.76 H new ATOM 0 HG3 GLU A 118 9.463 -7.598 9.324 1.00 1.76 H new ATOM 1867 N ALA A 119 7.032 -8.198 10.438 1.00 1.35 N ATOM 1868 CA ALA A 119 6.665 -7.313 11.558 1.00 1.76 C ATOM 1869 C ALA A 119 5.598 -6.232 11.295 1.00 1.86 C ATOM 1870 O ALA A 119 4.414 -6.541 11.153 1.00 3.53 O ATOM 1871 CB ALA A 119 7.980 -6.812 12.172 1.00 3.34 C ATOM 0 H ALA A 119 7.710 -8.895 10.745 1.00 1.35 H new ATOM 0 HA ALA A 119 6.100 -7.897 12.284 1.00 1.76 H new ATOM 0 HB1 ALA A 119 7.761 -6.150 13.010 1.00 3.34 H new ATOM 0 HB2 ALA A 119 8.564 -7.662 12.525 1.00 3.34 H new ATOM 0 HB3 ALA A 119 8.549 -6.268 11.418 1.00 3.34 H new ATOM 1877 N ARG A 120 6.011 -4.967 11.343 1.00 1.64 N ATOM 1878 CA ARG A 120 5.199 -3.767 11.109 1.00 2.06 C ATOM 1879 C ARG A 120 6.054 -2.528 10.855 1.00 2.33 C ATOM 1880 O ARG A 120 5.847 -1.964 9.766 1.00 3.43 O ATOM 1881 CB ARG A 120 4.170 -3.568 12.244 1.00 3.68 C ATOM 1882 CG ARG A 120 3.186 -2.424 11.929 1.00 5.66 C ATOM 1883 CD ARG A 120 3.279 -1.231 12.897 1.00 7.10 C ATOM 1884 NE ARG A 120 4.642 -0.690 12.898 1.00 6.59 N ATOM 1885 CZ ARG A 120 5.332 -0.180 13.888 1.00 7.49 C ATOM 1886 NH1 ARG A 120 4.775 0.321 14.953 1.00 9.12 N ATOM 1887 NH2 ARG A 120 6.626 -0.200 13.800 1.00 7.13 N ATOM 1888 OXT ARG A 120 6.739 -2.042 11.788 1.00 3.24 O ATOM 0 H ARG A 120 6.980 -4.735 11.559 1.00 1.64 H new ATOM 0 HA ARG A 120 4.634 -3.922 10.190 1.00 2.06 H new ATOM 0 HB2 ARG A 120 3.615 -4.493 12.398 1.00 3.68 H new ATOM 0 HB3 ARG A 120 4.693 -3.352 13.175 1.00 3.68 H new ATOM 0 HG2 ARG A 120 3.370 -2.070 10.915 1.00 5.66 H new ATOM 0 HG3 ARG A 120 2.170 -2.817 11.950 1.00 5.66 H new ATOM 0 HD2 ARG A 120 2.572 -0.456 12.601 1.00 7.10 H new ATOM 0 HD3 ARG A 120 3.004 -1.546 13.903 1.00 7.10 H new ATOM 0 HE ARG A 120 5.122 -0.714 11.998 1.00 6.59 H new ATOM 0 HH11 ARG A 120 3.759 0.327 15.042 1.00 9.12 H new ATOM 0 HH12 ARG A 120 5.355 0.707 15.698 1.00 9.12 H new ATOM 0 HH21 ARG A 120 7.075 -0.604 12.978 1.00 7.13 H new ATOM 0 HH22 ARG A 120 7.194 0.189 14.553 1.00 7.13 H new