USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 926 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 57 LYS NZ :NH3+ -149:sc= 0.348 (180deg=-0.423) USER MOD Set 2.1: A 46 HIS : no HD1:sc= 0.535 K(o=1.1,f=-3.4!) USER MOD Set 2.2: A 48 THR OG1 : rot 7:sc= 0.249 USER MOD Set 2.3: A 83 HIS : no HE2:sc= 0.361 K(o=1.1,f=-0.72) USER MOD Single : A 11 SER OG : rot 75:sc= 0.274 USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -169:sc= 0.0688 USER MOD Single : A 24 ASN : amide:sc= -0.429 K(o=-0.43,f=-5.7!) USER MOD Single : A 37 THR OG1 : rot 95:sc= 0.597 USER MOD Single : A 56 LYS NZ :NH3+ -146:sc= 0.482 (180deg=-1.96!) USER MOD Single : A 59 MET CE :methyl -172:sc= 0 (180deg=-0.0802) USER MOD Single : A 61 MET CE :methyl -165:sc= -0.0713 (180deg=-0.299) USER MOD Single : A 72 LYS NZ :NH3+ -162:sc= 0.329 (180deg=-0.408!) USER MOD Single : A 78 LYS NZ :NH3+ 172:sc= 0.844 (180deg=0.444) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 173:sc= -0.827 (180deg=-1) USER MOD Single : A 90 LYS NZ :NH3+ 177:sc= 0.845 (180deg=0.794) USER MOD Single : A 94 LYS NZ :NH3+ -178:sc= 2.24 (180deg=2.19) USER MOD Single : A 109 LYS NZ :NH3+ 163:sc= 1.49 (180deg=1.1) USER MOD Single : A 112 LYS NZ :NH3+ 167:sc= 1.22 (180deg=1.13) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 11.048 0.912 5.301 1.00 2.25 N ATOM 56 CA GLU A 5 9.946 0.029 4.928 1.00 2.91 C ATOM 57 C GLU A 5 8.681 0.379 5.731 1.00 2.07 C ATOM 58 O GLU A 5 8.704 1.262 6.595 1.00 2.37 O ATOM 59 CB GLU A 5 10.343 -1.439 5.154 1.00 4.72 C ATOM 60 CG GLU A 5 11.704 -1.771 4.533 1.00 6.08 C ATOM 61 CD GLU A 5 11.917 -3.279 4.423 1.00 7.94 C ATOM 62 OE1 GLU A 5 12.104 -3.911 5.482 1.00 8.52 O ATOM 63 OE2 GLU A 5 11.865 -3.793 3.278 1.00 9.26 O ATOM 0 HA GLU A 5 9.728 0.170 3.869 1.00 2.91 H new ATOM 0 HB2 GLU A 5 10.373 -1.645 6.224 1.00 4.72 H new ATOM 0 HB3 GLU A 5 9.581 -2.090 4.725 1.00 4.72 H new ATOM 0 HG2 GLU A 5 11.773 -1.320 3.543 1.00 6.08 H new ATOM 0 HG3 GLU A 5 12.498 -1.334 5.139 1.00 6.08 H new ATOM 70 N GLY A 6 7.569 -0.287 5.407 1.00 1.65 N ATOM 71 CA GLY A 6 6.251 -0.180 6.052 1.00 1.15 C ATOM 72 C GLY A 6 5.770 -1.552 6.537 1.00 1.04 C ATOM 73 O GLY A 6 6.542 -2.508 6.531 1.00 1.40 O ATOM 0 H GLY A 6 7.562 -0.958 4.639 1.00 1.65 H new ATOM 0 HA2 GLY A 6 6.308 0.509 6.895 1.00 1.15 H new ATOM 0 HA3 GLY A 6 5.529 0.236 5.349 1.00 1.15 H new ATOM 77 N TRP A 7 4.514 -1.652 7.000 1.00 0.93 N ATOM 78 CA TRP A 7 3.933 -2.913 7.501 1.00 0.86 C ATOM 79 C TRP A 7 2.658 -3.381 6.767 1.00 0.76 C ATOM 80 O TRP A 7 2.173 -2.747 5.823 1.00 0.82 O ATOM 81 CB TRP A 7 3.795 -2.861 9.040 1.00 1.08 C ATOM 82 CG TRP A 7 2.639 -2.154 9.695 1.00 1.08 C ATOM 83 CD1 TRP A 7 1.685 -2.767 10.438 1.00 1.54 C ATOM 84 CD2 TRP A 7 2.400 -0.718 9.871 1.00 1.25 C ATOM 85 NE1 TRP A 7 0.899 -1.830 11.077 1.00 1.80 N ATOM 86 CE2 TRP A 7 1.312 -0.549 10.783 1.00 1.61 C ATOM 87 CE3 TRP A 7 3.029 0.460 9.408 1.00 1.62 C ATOM 88 CZ2 TRP A 7 0.894 0.713 11.235 1.00 2.01 C ATOM 89 CZ3 TRP A 7 2.606 1.731 9.843 1.00 2.08 C ATOM 90 CH2 TRP A 7 1.553 1.860 10.763 1.00 2.17 C ATOM 0 H TRP A 7 3.870 -0.862 7.039 1.00 0.93 H new ATOM 0 HA TRP A 7 4.640 -3.706 7.256 1.00 0.86 H new ATOM 0 HB2 TRP A 7 3.779 -3.892 9.393 1.00 1.08 H new ATOM 0 HB3 TRP A 7 4.707 -2.406 9.426 1.00 1.08 H new ATOM 0 HD1 TRP A 7 1.558 -3.837 10.518 1.00 1.54 H new ATOM 0 HE1 TRP A 7 0.114 -2.056 11.688 1.00 1.80 H new ATOM 0 HE3 TRP A 7 3.848 0.384 8.708 1.00 1.62 H new ATOM 0 HZ2 TRP A 7 0.077 0.800 11.936 1.00 2.01 H new ATOM 0 HZ3 TRP A 7 3.097 2.616 9.465 1.00 2.08 H new ATOM 0 HH2 TRP A 7 1.251 2.838 11.107 1.00 2.17 H new ATOM 101 N VAL A 8 2.142 -4.539 7.186 1.00 0.89 N ATOM 102 CA VAL A 8 0.860 -5.138 6.782 1.00 0.99 C ATOM 103 C VAL A 8 0.015 -5.290 8.049 1.00 1.20 C ATOM 104 O VAL A 8 0.556 -5.608 9.108 1.00 1.47 O ATOM 105 CB VAL A 8 1.086 -6.509 6.089 1.00 1.03 C ATOM 106 CG1 VAL A 8 -0.204 -7.316 5.864 1.00 1.40 C ATOM 107 CG2 VAL A 8 1.760 -6.296 4.726 1.00 1.00 C ATOM 0 H VAL A 8 2.637 -5.123 7.860 1.00 0.89 H new ATOM 0 HA VAL A 8 0.348 -4.504 6.059 1.00 0.99 H new ATOM 0 HB VAL A 8 1.716 -7.083 6.768 1.00 1.03 H new ATOM 0 HG11 VAL A 8 0.038 -8.260 5.376 1.00 1.40 H new ATOM 0 HG12 VAL A 8 -0.680 -7.516 6.824 1.00 1.40 H new ATOM 0 HG13 VAL A 8 -0.885 -6.745 5.233 1.00 1.40 H new ATOM 0 HG21 VAL A 8 1.917 -7.260 4.243 1.00 1.00 H new ATOM 0 HG22 VAL A 8 1.122 -5.675 4.098 1.00 1.00 H new ATOM 0 HG23 VAL A 8 2.721 -5.801 4.869 1.00 1.00 H new ATOM 117 N ARG A 9 -1.297 -5.055 7.944 1.00 1.25 N ATOM 118 CA ARG A 9 -2.222 -5.136 9.083 1.00 1.45 C ATOM 119 C ARG A 9 -2.589 -6.605 9.390 1.00 1.31 C ATOM 120 O ARG A 9 -1.896 -7.288 10.137 1.00 2.32 O ATOM 121 CB ARG A 9 -3.452 -4.241 8.840 1.00 1.82 C ATOM 122 CG ARG A 9 -3.154 -2.737 8.707 1.00 2.57 C ATOM 123 CD ARG A 9 -2.643 -2.047 9.982 1.00 4.23 C ATOM 124 NE ARG A 9 -2.921 -0.597 9.916 1.00 5.01 N ATOM 125 CZ ARG A 9 -3.016 0.220 10.959 1.00 6.20 C ATOM 126 NH1 ARG A 9 -2.609 -0.118 12.154 1.00 7.30 N ATOM 127 NH2 ARG A 9 -3.538 1.416 10.821 1.00 6.82 N ATOM 0 H ARG A 9 -1.750 -4.803 7.066 1.00 1.25 H new ATOM 0 HA ARG A 9 -1.728 -4.753 9.976 1.00 1.45 H new ATOM 0 HB2 ARG A 9 -3.952 -4.577 7.932 1.00 1.82 H new ATOM 0 HB3 ARG A 9 -4.153 -4.384 9.662 1.00 1.82 H new ATOM 0 HG2 ARG A 9 -2.413 -2.600 7.919 1.00 2.57 H new ATOM 0 HG3 ARG A 9 -4.063 -2.232 8.381 1.00 2.57 H new ATOM 0 HD2 ARG A 9 -3.126 -2.479 10.858 1.00 4.23 H new ATOM 0 HD3 ARG A 9 -1.572 -2.216 10.093 1.00 4.23 H new ATOM 0 HE ARG A 9 -3.051 -0.189 8.990 1.00 5.01 H new ATOM 0 HH11 ARG A 9 -2.200 -1.039 12.312 1.00 7.30 H new ATOM 0 HH12 ARG A 9 -2.700 0.539 12.929 1.00 7.30 H new ATOM 0 HH21 ARG A 9 -3.874 1.724 9.908 1.00 6.82 H new ATOM 0 HH22 ARG A 9 -3.608 2.038 11.626 1.00 6.82 H new ATOM 141 N PHE A 10 -3.699 -7.106 8.831 1.00 0.90 N ATOM 142 CA PHE A 10 -4.265 -8.409 9.184 1.00 0.86 C ATOM 143 C PHE A 10 -5.232 -8.918 8.109 1.00 0.74 C ATOM 144 O PHE A 10 -5.909 -8.132 7.445 1.00 1.17 O ATOM 145 CB PHE A 10 -4.961 -8.294 10.555 1.00 1.32 C ATOM 146 CG PHE A 10 -5.752 -9.522 10.950 1.00 1.51 C ATOM 147 CD1 PHE A 10 -5.106 -10.615 11.559 1.00 1.62 C ATOM 148 CD2 PHE A 10 -7.120 -9.608 10.624 1.00 3.15 C ATOM 149 CE1 PHE A 10 -5.831 -11.781 11.853 1.00 1.76 C ATOM 150 CE2 PHE A 10 -7.836 -10.784 10.896 1.00 3.33 C ATOM 151 CZ PHE A 10 -7.195 -11.868 11.522 1.00 1.98 C ATOM 0 H PHE A 10 -4.232 -6.612 8.115 1.00 0.90 H new ATOM 0 HA PHE A 10 -3.460 -9.141 9.246 1.00 0.86 H new ATOM 0 HB2 PHE A 10 -4.207 -8.099 11.318 1.00 1.32 H new ATOM 0 HB3 PHE A 10 -5.630 -7.433 10.540 1.00 1.32 H new ATOM 0 HD1 PHE A 10 -4.055 -10.557 11.800 1.00 1.62 H new ATOM 0 HD2 PHE A 10 -7.618 -8.768 10.164 1.00 3.15 H new ATOM 0 HE1 PHE A 10 -5.340 -12.613 12.335 1.00 1.76 H new ATOM 0 HE2 PHE A 10 -8.879 -10.857 10.625 1.00 3.33 H new ATOM 0 HZ PHE A 10 -7.750 -12.767 11.748 1.00 1.98 H new ATOM 161 N SER A 11 -5.327 -10.245 7.986 1.00 0.68 N ATOM 162 CA SER A 11 -6.248 -10.930 7.078 1.00 0.82 C ATOM 163 C SER A 11 -7.180 -11.886 7.839 1.00 1.46 C ATOM 164 O SER A 11 -6.685 -12.793 8.520 1.00 2.53 O ATOM 165 CB SER A 11 -5.480 -11.784 6.050 1.00 2.27 C ATOM 166 OG SER A 11 -4.222 -11.237 5.743 1.00 3.99 O ATOM 0 H SER A 11 -4.751 -10.888 8.529 1.00 0.68 H new ATOM 0 HA SER A 11 -6.823 -10.148 6.583 1.00 0.82 H new ATOM 0 HB2 SER A 11 -5.350 -12.793 6.442 1.00 2.27 H new ATOM 0 HB3 SER A 11 -6.070 -11.870 5.138 1.00 2.27 H new ATOM 0 HG SER A 11 -3.605 -11.399 6.487 1.00 3.99 H new ATOM 172 N PRO A 12 -8.511 -11.800 7.658 1.00 2.10 N ATOM 173 CA PRO A 12 -9.366 -12.954 7.874 1.00 3.04 C ATOM 174 C PRO A 12 -9.119 -13.981 6.755 1.00 2.45 C ATOM 175 O PRO A 12 -8.845 -15.147 7.039 1.00 3.15 O ATOM 176 CB PRO A 12 -10.793 -12.397 7.877 1.00 4.00 C ATOM 177 CG PRO A 12 -10.718 -11.139 7.006 1.00 3.68 C ATOM 178 CD PRO A 12 -9.274 -10.661 7.152 1.00 2.76 C ATOM 0 HA PRO A 12 -9.171 -13.479 8.809 1.00 3.04 H new ATOM 0 HB2 PRO A 12 -11.501 -13.119 7.471 1.00 4.00 H new ATOM 0 HB3 PRO A 12 -11.124 -12.160 8.888 1.00 4.00 H new ATOM 0 HG2 PRO A 12 -10.960 -11.360 5.967 1.00 3.68 H new ATOM 0 HG3 PRO A 12 -11.424 -10.380 7.343 1.00 3.68 H new ATOM 0 HD2 PRO A 12 -8.878 -10.323 6.194 1.00 2.76 H new ATOM 0 HD3 PRO A 12 -9.212 -9.816 7.838 1.00 2.76 H new ATOM 186 N GLY A 13 -9.149 -13.512 5.500 1.00 1.42 N ATOM 187 CA GLY A 13 -9.454 -14.304 4.307 1.00 1.39 C ATOM 188 C GLY A 13 -10.839 -13.888 3.773 1.00 1.12 C ATOM 189 O GLY A 13 -11.727 -13.617 4.584 1.00 1.25 O ATOM 0 H GLY A 13 -8.954 -12.535 5.283 1.00 1.42 H new ATOM 0 HA2 GLY A 13 -8.692 -14.145 3.544 1.00 1.39 H new ATOM 0 HA3 GLY A 13 -9.446 -15.367 4.548 1.00 1.39 H new ATOM 193 N PRO A 14 -11.058 -13.800 2.446 1.00 0.94 N ATOM 194 CA PRO A 14 -10.155 -14.153 1.356 1.00 1.07 C ATOM 195 C PRO A 14 -9.216 -12.996 0.966 1.00 1.04 C ATOM 196 O PRO A 14 -8.643 -13.026 -0.119 1.00 1.01 O ATOM 197 CB PRO A 14 -11.106 -14.519 0.210 1.00 1.19 C ATOM 198 CG PRO A 14 -12.229 -13.496 0.377 1.00 1.04 C ATOM 199 CD PRO A 14 -12.329 -13.352 1.897 1.00 0.86 C ATOM 0 HA PRO A 14 -9.479 -14.963 1.628 1.00 1.07 H new ATOM 0 HB2 PRO A 14 -10.621 -14.435 -0.763 1.00 1.19 H new ATOM 0 HB3 PRO A 14 -11.472 -15.542 0.297 1.00 1.19 H new ATOM 0 HG2 PRO A 14 -11.988 -12.548 -0.105 1.00 1.04 H new ATOM 0 HG3 PRO A 14 -13.164 -13.847 -0.059 1.00 1.04 H new ATOM 0 HD2 PRO A 14 -12.527 -12.317 2.175 1.00 0.86 H new ATOM 0 HD3 PRO A 14 -13.152 -13.950 2.289 1.00 0.86 H new ATOM 207 N ASN A 15 -9.084 -11.952 1.795 1.00 1.05 N ATOM 208 CA ASN A 15 -8.356 -10.735 1.451 1.00 0.94 C ATOM 209 C ASN A 15 -7.590 -10.096 2.631 1.00 0.89 C ATOM 210 O ASN A 15 -7.730 -10.474 3.799 1.00 1.20 O ATOM 211 CB ASN A 15 -9.348 -9.743 0.807 1.00 1.12 C ATOM 212 CG ASN A 15 -10.309 -9.070 1.784 1.00 1.55 C ATOM 213 OD1 ASN A 15 -10.823 -9.680 2.710 1.00 2.26 O ATOM 214 ND2 ASN A 15 -10.576 -7.788 1.598 1.00 1.98 N ATOM 0 H ASN A 15 -9.486 -11.934 2.732 1.00 1.05 H new ATOM 0 HA ASN A 15 -7.572 -11.005 0.744 1.00 0.94 H new ATOM 0 HB2 ASN A 15 -8.781 -8.971 0.287 1.00 1.12 H new ATOM 0 HB3 ASN A 15 -9.931 -10.272 0.053 1.00 1.12 H new ATOM 0 HD21 ASN A 15 -11.214 -7.303 2.229 1.00 1.98 H new ATOM 0 HD22 ASN A 15 -10.144 -7.284 0.823 1.00 1.98 H new ATOM 221 N ALA A 16 -6.788 -9.091 2.267 1.00 0.62 N ATOM 222 CA ALA A 16 -5.870 -8.316 3.110 1.00 0.57 C ATOM 223 C ALA A 16 -5.562 -6.912 2.533 1.00 0.56 C ATOM 224 O ALA A 16 -6.110 -6.528 1.500 1.00 0.54 O ATOM 225 CB ALA A 16 -4.592 -9.143 3.305 1.00 0.59 C ATOM 0 H ALA A 16 -6.761 -8.772 1.298 1.00 0.62 H new ATOM 0 HA ALA A 16 -6.347 -8.128 4.072 1.00 0.57 H new ATOM 0 HB1 ALA A 16 -3.891 -8.588 3.929 1.00 0.59 H new ATOM 0 HB2 ALA A 16 -4.840 -10.088 3.789 1.00 0.59 H new ATOM 0 HB3 ALA A 16 -4.135 -9.341 2.335 1.00 0.59 H new ATOM 231 N ALA A 17 -4.689 -6.139 3.186 1.00 0.63 N ATOM 232 CA ALA A 17 -4.240 -4.808 2.761 1.00 0.61 C ATOM 233 C ALA A 17 -2.810 -4.542 3.273 1.00 0.59 C ATOM 234 O ALA A 17 -2.503 -4.901 4.412 1.00 0.73 O ATOM 235 CB ALA A 17 -5.194 -3.757 3.347 1.00 0.64 C ATOM 0 H ALA A 17 -4.258 -6.435 4.062 1.00 0.63 H new ATOM 0 HA ALA A 17 -4.240 -4.754 1.672 1.00 0.61 H new ATOM 0 HB1 ALA A 17 -4.872 -2.762 3.039 1.00 0.64 H new ATOM 0 HB2 ALA A 17 -6.205 -3.940 2.983 1.00 0.64 H new ATOM 0 HB3 ALA A 17 -5.183 -3.822 4.435 1.00 0.64 H new ATOM 241 N ALA A 18 -1.962 -3.892 2.474 1.00 0.66 N ATOM 242 CA ALA A 18 -0.588 -3.536 2.805 1.00 0.62 C ATOM 243 C ALA A 18 -0.375 -2.015 2.746 1.00 0.56 C ATOM 244 O ALA A 18 -1.056 -1.302 2.006 1.00 0.54 O ATOM 245 CB ALA A 18 0.343 -4.285 1.840 1.00 0.66 C ATOM 0 H ALA A 18 -2.230 -3.588 1.538 1.00 0.66 H new ATOM 0 HA ALA A 18 -0.361 -3.831 3.829 1.00 0.62 H new ATOM 0 HB1 ALA A 18 1.379 -4.035 2.067 1.00 0.66 H new ATOM 0 HB2 ALA A 18 0.196 -5.359 1.952 1.00 0.66 H new ATOM 0 HB3 ALA A 18 0.116 -3.993 0.815 1.00 0.66 H new ATOM 251 N TYR A 19 0.607 -1.555 3.525 1.00 0.74 N ATOM 252 CA TYR A 19 0.877 -0.143 3.852 1.00 0.70 C ATOM 253 C TYR A 19 2.393 0.165 3.842 1.00 0.72 C ATOM 254 O TYR A 19 2.987 0.544 4.855 1.00 1.14 O ATOM 255 CB TYR A 19 0.246 0.197 5.219 1.00 0.75 C ATOM 256 CG TYR A 19 -1.266 0.088 5.301 1.00 0.86 C ATOM 257 CD1 TYR A 19 -1.880 -1.164 5.504 1.00 2.02 C ATOM 258 CD2 TYR A 19 -2.062 1.244 5.202 1.00 1.82 C ATOM 259 CE1 TYR A 19 -3.279 -1.261 5.582 1.00 2.11 C ATOM 260 CE2 TYR A 19 -3.459 1.163 5.335 1.00 1.98 C ATOM 261 CZ TYR A 19 -4.074 -0.097 5.507 1.00 1.29 C ATOM 262 OH TYR A 19 -5.428 -0.200 5.586 1.00 1.56 O ATOM 0 H TYR A 19 1.273 -2.186 3.970 1.00 0.74 H new ATOM 0 HA TYR A 19 0.424 0.485 3.085 1.00 0.70 H new ATOM 0 HB2 TYR A 19 0.679 -0.463 5.971 1.00 0.75 H new ATOM 0 HB3 TYR A 19 0.532 1.215 5.486 1.00 0.75 H new ATOM 0 HD1 TYR A 19 -1.273 -2.052 5.600 1.00 2.02 H new ATOM 0 HD2 TYR A 19 -1.596 2.201 5.022 1.00 1.82 H new ATOM 0 HE1 TYR A 19 -3.747 -2.227 5.699 1.00 2.11 H new ATOM 0 HE2 TYR A 19 -4.060 2.060 5.306 1.00 1.98 H new ATOM 0 HH TYR A 19 -5.828 0.692 5.519 1.00 1.56 H new ATOM 272 N LEU A 20 3.049 -0.052 2.697 1.00 1.14 N ATOM 273 CA LEU A 20 4.491 0.173 2.526 1.00 1.11 C ATOM 274 C LEU A 20 4.918 1.663 2.540 1.00 0.91 C ATOM 275 O LEU A 20 4.085 2.570 2.441 1.00 0.73 O ATOM 276 CB LEU A 20 4.982 -0.654 1.320 1.00 1.23 C ATOM 277 CG LEU A 20 4.490 -0.233 -0.077 1.00 1.15 C ATOM 278 CD1 LEU A 20 5.359 0.881 -0.663 1.00 1.81 C ATOM 279 CD2 LEU A 20 4.508 -1.451 -1.008 1.00 1.79 C ATOM 0 H LEU A 20 2.590 -0.393 1.852 1.00 1.14 H new ATOM 0 HA LEU A 20 5.013 -0.193 3.410 1.00 1.11 H new ATOM 0 HB2 LEU A 20 6.072 -0.628 1.315 1.00 1.23 H new ATOM 0 HB3 LEU A 20 4.689 -1.691 1.482 1.00 1.23 H new ATOM 0 HG LEU A 20 3.474 0.151 0.017 1.00 1.15 H new ATOM 0 HD11 LEU A 20 4.984 1.154 -1.649 1.00 1.81 H new ATOM 0 HD12 LEU A 20 5.325 1.752 -0.008 1.00 1.81 H new ATOM 0 HD13 LEU A 20 6.388 0.532 -0.750 1.00 1.81 H new ATOM 0 HD21 LEU A 20 4.160 -1.157 -1.998 1.00 1.79 H new ATOM 0 HD22 LEU A 20 5.524 -1.839 -1.080 1.00 1.79 H new ATOM 0 HD23 LEU A 20 3.852 -2.224 -0.608 1.00 1.79 H new ATOM 291 N THR A 21 6.232 1.898 2.651 1.00 1.11 N ATOM 292 CA THR A 21 6.868 3.226 2.729 1.00 0.97 C ATOM 293 C THR A 21 7.469 3.617 1.375 1.00 1.19 C ATOM 294 O THR A 21 7.954 2.766 0.634 1.00 1.66 O ATOM 295 CB THR A 21 7.922 3.214 3.848 1.00 1.22 C ATOM 296 OG1 THR A 21 7.224 3.018 5.056 1.00 1.60 O ATOM 297 CG2 THR A 21 8.698 4.524 3.995 1.00 1.42 C ATOM 0 H THR A 21 6.912 1.139 2.691 1.00 1.11 H new ATOM 0 HA THR A 21 6.120 3.981 2.970 1.00 0.97 H new ATOM 0 HB THR A 21 8.645 2.435 3.606 1.00 1.22 H new ATOM 0 HG1 THR A 21 7.828 3.175 5.812 1.00 1.60 H new ATOM 0 HG21 THR A 21 9.420 4.430 4.806 1.00 1.42 H new ATOM 0 HG22 THR A 21 9.223 4.742 3.065 1.00 1.42 H new ATOM 0 HG23 THR A 21 8.004 5.335 4.219 1.00 1.42 H new ATOM 305 N LEU A 22 7.447 4.917 1.057 1.00 1.22 N ATOM 306 CA LEU A 22 8.106 5.496 -0.118 1.00 1.64 C ATOM 307 C LEU A 22 9.184 6.482 0.321 1.00 1.31 C ATOM 308 O LEU A 22 8.872 7.542 0.863 1.00 1.32 O ATOM 309 CB LEU A 22 7.109 6.268 -1.010 1.00 2.38 C ATOM 310 CG LEU A 22 6.222 5.485 -1.991 1.00 3.09 C ATOM 311 CD1 LEU A 22 7.085 4.699 -2.990 1.00 3.25 C ATOM 312 CD2 LEU A 22 5.213 4.590 -1.266 1.00 4.00 C ATOM 0 H LEU A 22 6.959 5.611 1.623 1.00 1.22 H new ATOM 0 HA LEU A 22 8.534 4.667 -0.682 1.00 1.64 H new ATOM 0 HB2 LEU A 22 6.450 6.835 -0.352 1.00 2.38 H new ATOM 0 HB3 LEU A 22 7.680 6.993 -1.590 1.00 2.38 H new ATOM 0 HG LEU A 22 5.633 6.206 -2.558 1.00 3.09 H new ATOM 0 HD11 LEU A 22 6.439 4.151 -3.676 1.00 3.25 H new ATOM 0 HD12 LEU A 22 7.710 5.391 -3.554 1.00 3.25 H new ATOM 0 HD13 LEU A 22 7.719 3.996 -2.449 1.00 3.25 H new ATOM 0 HD21 LEU A 22 4.608 4.056 -1.999 1.00 4.00 H new ATOM 0 HD22 LEU A 22 5.746 3.872 -0.643 1.00 4.00 H new ATOM 0 HD23 LEU A 22 4.566 5.204 -0.640 1.00 4.00 H new ATOM 324 N GLU A 23 10.433 6.198 -0.018 1.00 1.22 N ATOM 325 CA GLU A 23 11.515 7.177 0.014 1.00 1.16 C ATOM 326 C GLU A 23 12.115 7.225 -1.392 1.00 1.10 C ATOM 327 O GLU A 23 12.390 6.178 -1.970 1.00 1.36 O ATOM 328 CB GLU A 23 12.554 6.833 1.105 1.00 1.50 C ATOM 329 CG GLU A 23 11.905 6.397 2.434 1.00 2.77 C ATOM 330 CD GLU A 23 12.807 6.649 3.638 1.00 3.45 C ATOM 331 OE1 GLU A 23 13.753 5.863 3.872 1.00 3.91 O ATOM 332 OE2 GLU A 23 12.526 7.590 4.416 1.00 4.28 O ATOM 0 H GLU A 23 10.729 5.272 -0.327 1.00 1.22 H new ATOM 0 HA GLU A 23 11.144 8.166 0.284 1.00 1.16 H new ATOM 0 HB2 GLU A 23 13.202 6.035 0.744 1.00 1.50 H new ATOM 0 HB3 GLU A 23 13.188 7.702 1.283 1.00 1.50 H new ATOM 0 HG2 GLU A 23 10.966 6.934 2.569 1.00 2.77 H new ATOM 0 HG3 GLU A 23 11.660 5.336 2.384 1.00 2.77 H new ATOM 339 N ASN A 24 12.246 8.414 -1.983 1.00 0.89 N ATOM 340 CA ASN A 24 12.794 8.592 -3.328 1.00 0.78 C ATOM 341 C ASN A 24 14.287 8.972 -3.259 1.00 0.76 C ATOM 342 O ASN A 24 14.602 10.116 -2.926 1.00 0.85 O ATOM 343 CB ASN A 24 11.988 9.680 -4.062 1.00 0.76 C ATOM 344 CG ASN A 24 12.368 9.744 -5.538 1.00 0.73 C ATOM 345 OD1 ASN A 24 13.341 9.141 -5.972 1.00 1.36 O ATOM 346 ND2 ASN A 24 11.591 10.441 -6.340 1.00 0.85 N ATOM 0 H ASN A 24 11.972 9.289 -1.536 1.00 0.89 H new ATOM 0 HA ASN A 24 12.715 7.654 -3.878 1.00 0.78 H new ATOM 0 HB2 ASN A 24 10.922 9.474 -3.966 1.00 0.76 H new ATOM 0 HB3 ASN A 24 12.168 10.648 -3.595 1.00 0.76 H new ATOM 0 HD21 ASN A 24 11.796 10.484 -7.338 1.00 0.85 H new ATOM 0 HD22 ASN A 24 10.784 10.938 -5.963 1.00 0.85 H new ATOM 353 N PRO A 25 15.218 8.060 -3.586 1.00 0.81 N ATOM 354 CA PRO A 25 16.648 8.359 -3.583 1.00 0.92 C ATOM 355 C PRO A 25 17.164 9.009 -4.876 1.00 0.94 C ATOM 356 O PRO A 25 18.302 9.475 -4.885 1.00 1.09 O ATOM 357 CB PRO A 25 17.313 6.993 -3.380 1.00 1.08 C ATOM 358 CG PRO A 25 16.357 6.051 -4.115 1.00 1.07 C ATOM 359 CD PRO A 25 14.997 6.630 -3.763 1.00 0.92 C ATOM 0 HA PRO A 25 16.876 9.092 -2.809 1.00 0.92 H new ATOM 0 HB2 PRO A 25 18.317 6.963 -3.802 1.00 1.08 H new ATOM 0 HB3 PRO A 25 17.403 6.738 -2.324 1.00 1.08 H new ATOM 0 HG2 PRO A 25 16.533 6.051 -5.191 1.00 1.07 H new ATOM 0 HG3 PRO A 25 16.460 5.020 -3.775 1.00 1.07 H new ATOM 0 HD2 PRO A 25 14.272 6.440 -4.555 1.00 0.92 H new ATOM 0 HD3 PRO A 25 14.601 6.178 -2.853 1.00 0.92 H new ATOM 367 N GLY A 26 16.376 9.036 -5.958 1.00 0.88 N ATOM 368 CA GLY A 26 16.790 9.565 -7.246 1.00 0.94 C ATOM 369 C GLY A 26 16.510 11.055 -7.350 1.00 0.83 C ATOM 370 O GLY A 26 15.766 11.634 -6.566 1.00 1.20 O ATOM 0 H GLY A 26 15.419 8.683 -5.954 1.00 0.88 H new ATOM 0 HA2 GLY A 26 17.855 9.383 -7.391 1.00 0.94 H new ATOM 0 HA3 GLY A 26 16.265 9.038 -8.043 1.00 0.94 H new ATOM 374 N ASP A 27 17.103 11.656 -8.370 1.00 0.84 N ATOM 375 CA ASP A 27 16.945 13.051 -8.775 1.00 1.26 C ATOM 376 C ASP A 27 15.781 13.244 -9.768 1.00 1.25 C ATOM 377 O ASP A 27 15.498 14.347 -10.226 1.00 1.54 O ATOM 378 CB ASP A 27 18.294 13.483 -9.353 1.00 1.71 C ATOM 379 CG ASP A 27 19.240 13.855 -8.213 1.00 2.27 C ATOM 380 OD1 ASP A 27 19.024 14.911 -7.581 1.00 3.34 O ATOM 381 OD2 ASP A 27 20.091 13.016 -7.828 1.00 2.68 O ATOM 0 H ASP A 27 17.749 11.153 -8.978 1.00 0.84 H new ATOM 0 HA ASP A 27 16.676 13.677 -7.924 1.00 1.26 H new ATOM 0 HB2 ASP A 27 18.723 12.676 -9.947 1.00 1.71 H new ATOM 0 HB3 ASP A 27 18.160 14.334 -10.021 1.00 1.71 H new ATOM 386 N LEU A 28 15.075 12.150 -10.053 1.00 0.99 N ATOM 387 CA LEU A 28 13.867 12.077 -10.866 1.00 1.00 C ATOM 388 C LEU A 28 12.651 11.686 -10.005 1.00 0.83 C ATOM 389 O LEU A 28 12.820 11.059 -8.956 1.00 0.81 O ATOM 390 CB LEU A 28 14.149 11.138 -12.053 1.00 1.19 C ATOM 391 CG LEU A 28 14.444 9.655 -11.723 1.00 2.42 C ATOM 392 CD1 LEU A 28 13.171 8.804 -11.580 1.00 3.33 C ATOM 393 CD2 LEU A 28 15.297 9.040 -12.844 1.00 3.24 C ATOM 0 H LEU A 28 15.351 11.234 -9.698 1.00 0.99 H new ATOM 0 HA LEU A 28 13.601 13.050 -11.279 1.00 1.00 H new ATOM 0 HB2 LEU A 28 13.289 11.171 -12.722 1.00 1.19 H new ATOM 0 HB3 LEU A 28 14.999 11.537 -12.606 1.00 1.19 H new ATOM 0 HG LEU A 28 14.966 9.650 -10.766 1.00 2.42 H new ATOM 0 HD11 LEU A 28 13.445 7.775 -11.349 1.00 3.33 H new ATOM 0 HD12 LEU A 28 12.554 9.205 -10.776 1.00 3.33 H new ATOM 0 HD13 LEU A 28 12.610 8.829 -12.514 1.00 3.33 H new ATOM 0 HD21 LEU A 28 15.505 7.996 -12.612 1.00 3.24 H new ATOM 0 HD22 LEU A 28 14.756 9.101 -13.788 1.00 3.24 H new ATOM 0 HD23 LEU A 28 16.236 9.587 -12.928 1.00 3.24 H new ATOM 405 N PRO A 29 11.420 12.037 -10.417 1.00 0.83 N ATOM 406 CA PRO A 29 10.224 11.742 -9.642 1.00 0.75 C ATOM 407 C PRO A 29 9.798 10.283 -9.838 1.00 0.73 C ATOM 408 O PRO A 29 9.877 9.736 -10.940 1.00 0.87 O ATOM 409 CB PRO A 29 9.167 12.731 -10.132 1.00 0.81 C ATOM 410 CG PRO A 29 9.562 12.981 -11.591 1.00 0.91 C ATOM 411 CD PRO A 29 11.083 12.786 -11.619 1.00 0.92 C ATOM 0 HA PRO A 29 10.386 11.854 -8.570 1.00 0.75 H new ATOM 0 HB2 PRO A 29 8.162 12.316 -10.053 1.00 0.81 H new ATOM 0 HB3 PRO A 29 9.178 13.652 -9.549 1.00 0.81 H new ATOM 0 HG2 PRO A 29 9.061 12.284 -12.262 1.00 0.91 H new ATOM 0 HG3 PRO A 29 9.285 13.986 -11.910 1.00 0.91 H new ATOM 0 HD2 PRO A 29 11.389 12.244 -12.514 1.00 0.92 H new ATOM 0 HD3 PRO A 29 11.598 13.746 -11.636 1.00 0.92 H new ATOM 419 N LEU A 30 9.315 9.659 -8.762 1.00 0.67 N ATOM 420 CA LEU A 30 8.716 8.325 -8.795 1.00 0.67 C ATOM 421 C LEU A 30 7.195 8.448 -8.824 1.00 0.62 C ATOM 422 O LEU A 30 6.595 9.241 -8.106 1.00 0.70 O ATOM 423 CB LEU A 30 9.117 7.509 -7.560 1.00 0.75 C ATOM 424 CG LEU A 30 10.473 6.764 -7.565 1.00 0.91 C ATOM 425 CD1 LEU A 30 11.598 7.440 -8.362 1.00 1.81 C ATOM 426 CD2 LEU A 30 10.898 6.482 -6.116 1.00 2.59 C ATOM 0 H LEU A 30 9.330 10.073 -7.830 1.00 0.67 H new ATOM 0 HA LEU A 30 9.076 7.816 -9.689 1.00 0.67 H new ATOM 0 HB2 LEU A 30 9.115 8.184 -6.704 1.00 0.75 H new ATOM 0 HB3 LEU A 30 8.335 6.770 -7.385 1.00 0.75 H new ATOM 0 HG LEU A 30 10.305 5.832 -8.105 1.00 0.91 H new ATOM 0 HD11 LEU A 30 12.503 6.835 -8.299 1.00 1.81 H new ATOM 0 HD12 LEU A 30 11.298 7.536 -9.405 1.00 1.81 H new ATOM 0 HD13 LEU A 30 11.794 8.429 -7.948 1.00 1.81 H new ATOM 0 HD21 LEU A 30 11.853 5.957 -6.113 1.00 2.59 H new ATOM 0 HD22 LEU A 30 11.000 7.424 -5.577 1.00 2.59 H new ATOM 0 HD23 LEU A 30 10.143 5.865 -5.629 1.00 2.59 H new ATOM 438 N ARG A 31 6.596 7.545 -9.585 1.00 0.55 N ATOM 439 CA ARG A 31 5.151 7.386 -9.781 1.00 0.50 C ATOM 440 C ARG A 31 4.815 5.900 -9.759 1.00 0.46 C ATOM 441 O ARG A 31 5.180 5.180 -10.687 1.00 0.47 O ATOM 442 CB ARG A 31 4.720 8.037 -11.102 1.00 0.53 C ATOM 443 CG ARG A 31 3.193 7.995 -11.314 1.00 0.55 C ATOM 444 CD ARG A 31 2.592 9.338 -11.756 1.00 1.04 C ATOM 445 NE ARG A 31 3.029 9.758 -13.100 1.00 1.09 N ATOM 446 CZ ARG A 31 3.500 10.956 -13.442 1.00 1.04 C ATOM 447 NH1 ARG A 31 3.719 11.925 -12.584 1.00 2.35 N ATOM 448 NH2 ARG A 31 3.766 11.209 -14.706 1.00 2.08 N ATOM 0 H ARG A 31 7.132 6.859 -10.117 1.00 0.55 H new ATOM 0 HA ARG A 31 4.607 7.884 -8.979 1.00 0.50 H new ATOM 0 HB2 ARG A 31 5.057 9.073 -11.119 1.00 0.53 H new ATOM 0 HB3 ARG A 31 5.212 7.528 -11.931 1.00 0.53 H new ATOM 0 HG2 ARG A 31 2.960 7.239 -12.064 1.00 0.55 H new ATOM 0 HG3 ARG A 31 2.715 7.681 -10.386 1.00 0.55 H new ATOM 0 HD2 ARG A 31 1.505 9.264 -11.742 1.00 1.04 H new ATOM 0 HD3 ARG A 31 2.869 10.107 -11.035 1.00 1.04 H new ATOM 0 HE ARG A 31 2.964 9.061 -13.842 1.00 1.09 H new ATOM 0 HH11 ARG A 31 3.527 11.781 -11.593 1.00 2.35 H new ATOM 0 HH12 ARG A 31 4.081 12.821 -12.909 1.00 2.35 H new ATOM 0 HH21 ARG A 31 3.611 10.491 -15.413 1.00 2.08 H new ATOM 0 HH22 ARG A 31 4.127 12.123 -14.978 1.00 2.08 H new ATOM 462 N LEU A 32 4.207 5.446 -8.671 1.00 0.47 N ATOM 463 CA LEU A 32 3.944 4.059 -8.292 1.00 0.45 C ATOM 464 C LEU A 32 2.519 3.709 -8.745 1.00 0.44 C ATOM 465 O LEU A 32 1.562 4.185 -8.146 1.00 0.54 O ATOM 466 CB LEU A 32 4.111 4.003 -6.756 1.00 0.48 C ATOM 467 CG LEU A 32 4.393 2.633 -6.103 1.00 0.76 C ATOM 468 CD1 LEU A 32 3.917 2.661 -4.643 1.00 1.51 C ATOM 469 CD2 LEU A 32 3.765 1.440 -6.815 1.00 1.95 C ATOM 0 H LEU A 32 3.853 6.094 -7.967 1.00 0.47 H new ATOM 0 HA LEU A 32 4.618 3.338 -8.755 1.00 0.45 H new ATOM 0 HB2 LEU A 32 4.925 4.675 -6.485 1.00 0.48 H new ATOM 0 HB3 LEU A 32 3.203 4.405 -6.307 1.00 0.48 H new ATOM 0 HG LEU A 32 5.471 2.486 -6.175 1.00 0.76 H new ATOM 0 HD11 LEU A 32 4.114 1.695 -4.177 1.00 1.51 H new ATOM 0 HD12 LEU A 32 4.452 3.441 -4.101 1.00 1.51 H new ATOM 0 HD13 LEU A 32 2.847 2.867 -4.613 1.00 1.51 H new ATOM 0 HD21 LEU A 32 4.019 0.523 -6.282 1.00 1.95 H new ATOM 0 HD22 LEU A 32 2.682 1.559 -6.837 1.00 1.95 H new ATOM 0 HD23 LEU A 32 4.145 1.384 -7.835 1.00 1.95 H new ATOM 481 N VAL A 33 2.369 2.916 -9.805 1.00 0.41 N ATOM 482 CA VAL A 33 1.076 2.723 -10.499 1.00 0.41 C ATOM 483 C VAL A 33 0.419 1.370 -10.176 1.00 0.45 C ATOM 484 O VAL A 33 -0.788 1.210 -10.341 1.00 0.49 O ATOM 485 CB VAL A 33 1.228 2.887 -12.035 1.00 0.52 C ATOM 486 CG1 VAL A 33 1.921 4.214 -12.409 1.00 0.51 C ATOM 487 CG2 VAL A 33 2.018 1.749 -12.711 1.00 0.70 C ATOM 0 H VAL A 33 3.136 2.384 -10.215 1.00 0.41 H new ATOM 0 HA VAL A 33 0.415 3.504 -10.122 1.00 0.41 H new ATOM 0 HB VAL A 33 0.202 2.868 -12.402 1.00 0.52 H new ATOM 0 HG11 VAL A 33 2.006 4.287 -13.493 1.00 0.51 H new ATOM 0 HG12 VAL A 33 1.331 5.051 -12.034 1.00 0.51 H new ATOM 0 HG13 VAL A 33 2.916 4.243 -11.964 1.00 0.51 H new ATOM 0 HG21 VAL A 33 2.081 1.936 -13.783 1.00 0.70 H new ATOM 0 HG22 VAL A 33 3.023 1.704 -12.291 1.00 0.70 H new ATOM 0 HG23 VAL A 33 1.510 0.800 -12.537 1.00 0.70 H new ATOM 497 N GLY A 34 1.202 0.384 -9.723 1.00 0.50 N ATOM 498 CA GLY A 34 0.723 -0.930 -9.279 1.00 0.57 C ATOM 499 C GLY A 34 1.709 -1.624 -8.361 1.00 0.62 C ATOM 500 O GLY A 34 2.751 -1.073 -8.012 1.00 0.61 O ATOM 0 H GLY A 34 2.215 0.481 -9.653 1.00 0.50 H new ATOM 0 HA2 GLY A 34 -0.229 -0.811 -8.762 1.00 0.57 H new ATOM 0 HA3 GLY A 34 0.536 -1.559 -10.149 1.00 0.57 H new ATOM 504 N ALA A 35 1.396 -2.863 -8.000 1.00 0.69 N ATOM 505 CA ALA A 35 2.331 -3.723 -7.290 1.00 0.71 C ATOM 506 C ALA A 35 2.357 -5.157 -7.834 1.00 0.72 C ATOM 507 O ALA A 35 1.605 -5.518 -8.741 1.00 0.75 O ATOM 508 CB ALA A 35 2.007 -3.650 -5.791 1.00 0.72 C ATOM 0 H ALA A 35 0.492 -3.296 -8.190 1.00 0.69 H new ATOM 0 HA ALA A 35 3.347 -3.363 -7.453 1.00 0.71 H new ATOM 0 HB1 ALA A 35 2.697 -4.288 -5.238 1.00 0.72 H new ATOM 0 HB2 ALA A 35 2.109 -2.621 -5.446 1.00 0.72 H new ATOM 0 HB3 ALA A 35 0.985 -3.989 -5.623 1.00 0.72 H new ATOM 514 N ARG A 36 3.204 -5.977 -7.217 1.00 0.73 N ATOM 515 CA ARG A 36 3.191 -7.442 -7.252 1.00 0.71 C ATOM 516 C ARG A 36 3.642 -7.951 -5.873 1.00 0.68 C ATOM 517 O ARG A 36 4.279 -7.216 -5.117 1.00 0.77 O ATOM 518 CB ARG A 36 4.057 -7.948 -8.428 1.00 0.81 C ATOM 519 CG ARG A 36 4.474 -9.427 -8.321 1.00 1.63 C ATOM 520 CD ARG A 36 5.359 -9.887 -9.476 1.00 2.29 C ATOM 521 NE ARG A 36 4.612 -9.946 -10.750 1.00 2.56 N ATOM 522 CZ ARG A 36 5.099 -9.652 -11.949 1.00 3.93 C ATOM 523 NH1 ARG A 36 6.359 -9.304 -12.105 1.00 4.93 N ATOM 524 NH2 ARG A 36 4.318 -9.704 -13.011 1.00 4.96 N ATOM 0 H ARG A 36 3.966 -5.617 -6.643 1.00 0.73 H new ATOM 0 HA ARG A 36 2.192 -7.837 -7.437 1.00 0.71 H new ATOM 0 HB2 ARG A 36 3.505 -7.805 -9.357 1.00 0.81 H new ATOM 0 HB3 ARG A 36 4.955 -7.334 -8.493 1.00 0.81 H new ATOM 0 HG2 ARG A 36 5.005 -9.581 -7.381 1.00 1.63 H new ATOM 0 HG3 ARG A 36 3.579 -10.049 -8.287 1.00 1.63 H new ATOM 0 HD2 ARG A 36 6.203 -9.205 -9.581 1.00 2.29 H new ATOM 0 HD3 ARG A 36 5.770 -10.871 -9.250 1.00 2.29 H new ATOM 0 HE ARG A 36 3.636 -10.239 -10.704 1.00 2.56 H new ATOM 0 HH11 ARG A 36 6.979 -9.257 -11.296 1.00 4.93 H new ATOM 0 HH12 ARG A 36 6.715 -9.082 -13.034 1.00 4.93 H new ATOM 0 HH21 ARG A 36 3.338 -9.970 -12.911 1.00 4.96 H new ATOM 0 HH22 ARG A 36 4.694 -9.478 -13.932 1.00 4.96 H new ATOM 538 N THR A 37 3.300 -9.191 -5.529 1.00 0.62 N ATOM 539 CA THR A 37 3.715 -9.885 -4.307 1.00 0.66 C ATOM 540 C THR A 37 3.437 -11.374 -4.477 1.00 0.66 C ATOM 541 O THR A 37 2.442 -11.702 -5.126 1.00 0.58 O ATOM 542 CB THR A 37 3.020 -9.290 -3.084 1.00 0.67 C ATOM 543 OG1 THR A 37 3.356 -10.048 -1.968 1.00 0.82 O ATOM 544 CG2 THR A 37 1.494 -9.232 -3.149 1.00 0.59 C ATOM 0 H THR A 37 2.699 -9.767 -6.119 1.00 0.62 H new ATOM 0 HA THR A 37 4.784 -9.753 -4.139 1.00 0.66 H new ATOM 0 HB THR A 37 3.367 -8.258 -3.037 1.00 0.67 H new ATOM 0 HG1 THR A 37 4.115 -9.633 -1.508 1.00 0.82 H new ATOM 0 HG21 THR A 37 1.107 -8.793 -2.230 1.00 0.59 H new ATOM 0 HG22 THR A 37 1.189 -8.622 -3.999 1.00 0.59 H new ATOM 0 HG23 THR A 37 1.096 -10.240 -3.265 1.00 0.59 H new ATOM 552 N PRO A 38 4.263 -12.284 -3.932 1.00 0.85 N ATOM 553 CA PRO A 38 4.077 -13.714 -4.148 1.00 0.96 C ATOM 554 C PRO A 38 2.910 -14.312 -3.369 1.00 0.96 C ATOM 555 O PRO A 38 2.634 -15.497 -3.505 1.00 1.04 O ATOM 556 CB PRO A 38 5.414 -14.344 -3.776 1.00 1.14 C ATOM 557 CG PRO A 38 6.013 -13.394 -2.746 1.00 1.14 C ATOM 558 CD PRO A 38 5.485 -12.028 -3.175 1.00 0.98 C ATOM 0 HA PRO A 38 3.802 -13.915 -5.183 1.00 0.96 H new ATOM 0 HB2 PRO A 38 5.280 -15.344 -3.363 1.00 1.14 H new ATOM 0 HB3 PRO A 38 6.061 -14.444 -4.647 1.00 1.14 H new ATOM 0 HG2 PRO A 38 5.697 -13.647 -1.734 1.00 1.14 H new ATOM 0 HG3 PRO A 38 7.103 -13.425 -2.757 1.00 1.14 H new ATOM 0 HD2 PRO A 38 5.282 -11.399 -2.308 1.00 0.98 H new ATOM 0 HD3 PRO A 38 6.218 -11.501 -3.786 1.00 0.98 H new ATOM 566 N VAL A 39 2.241 -13.498 -2.551 1.00 0.96 N ATOM 567 CA VAL A 39 1.174 -13.931 -1.637 1.00 0.95 C ATOM 568 C VAL A 39 -0.255 -13.538 -2.031 1.00 0.94 C ATOM 569 O VAL A 39 -1.146 -13.701 -1.202 1.00 1.04 O ATOM 570 CB VAL A 39 1.459 -13.435 -0.203 1.00 1.01 C ATOM 571 CG1 VAL A 39 2.897 -13.738 0.242 1.00 1.33 C ATOM 572 CG2 VAL A 39 1.191 -11.931 -0.062 1.00 1.05 C ATOM 0 H VAL A 39 2.427 -12.496 -2.502 1.00 0.96 H new ATOM 0 HA VAL A 39 1.201 -15.019 -1.700 1.00 0.95 H new ATOM 0 HB VAL A 39 0.775 -13.982 0.445 1.00 1.01 H new ATOM 0 HG11 VAL A 39 3.049 -13.370 1.257 1.00 1.33 H new ATOM 0 HG12 VAL A 39 3.066 -14.814 0.217 1.00 1.33 H new ATOM 0 HG13 VAL A 39 3.598 -13.245 -0.431 1.00 1.33 H new ATOM 0 HG21 VAL A 39 1.402 -11.618 0.960 1.00 1.05 H new ATOM 0 HG22 VAL A 39 1.833 -11.381 -0.750 1.00 1.05 H new ATOM 0 HG23 VAL A 39 0.147 -11.724 -0.296 1.00 1.05 H new ATOM 582 N ALA A 40 -0.513 -13.056 -3.253 1.00 0.86 N ATOM 583 CA ALA A 40 -1.869 -12.716 -3.705 1.00 0.76 C ATOM 584 C ALA A 40 -2.142 -13.118 -5.163 1.00 0.91 C ATOM 585 O ALA A 40 -1.214 -13.268 -5.953 1.00 1.22 O ATOM 586 CB ALA A 40 -2.113 -11.222 -3.458 1.00 0.80 C ATOM 0 H ALA A 40 0.209 -12.891 -3.954 1.00 0.86 H new ATOM 0 HA ALA A 40 -2.581 -13.300 -3.122 1.00 0.76 H new ATOM 0 HB1 ALA A 40 -3.117 -10.958 -3.790 1.00 0.80 H new ATOM 0 HB2 ALA A 40 -2.015 -11.008 -2.394 1.00 0.80 H new ATOM 0 HB3 ALA A 40 -1.381 -10.637 -4.015 1.00 0.80 H new ATOM 592 N GLU A 41 -3.422 -13.301 -5.498 1.00 0.89 N ATOM 593 CA GLU A 41 -3.900 -13.550 -6.861 1.00 1.11 C ATOM 594 C GLU A 41 -4.148 -12.235 -7.624 1.00 1.20 C ATOM 595 O GLU A 41 -3.961 -12.148 -8.835 1.00 1.71 O ATOM 596 CB GLU A 41 -5.203 -14.366 -6.755 1.00 1.18 C ATOM 597 CG GLU A 41 -5.489 -15.182 -8.017 1.00 1.44 C ATOM 598 CD GLU A 41 -4.519 -16.357 -8.118 1.00 1.86 C ATOM 599 OE1 GLU A 41 -4.756 -17.382 -7.442 1.00 3.18 O ATOM 600 OE2 GLU A 41 -3.429 -16.203 -8.711 1.00 2.42 O ATOM 0 H GLU A 41 -4.175 -13.280 -4.810 1.00 0.89 H new ATOM 0 HA GLU A 41 -3.143 -14.099 -7.421 1.00 1.11 H new ATOM 0 HB2 GLU A 41 -5.138 -15.038 -5.899 1.00 1.18 H new ATOM 0 HB3 GLU A 41 -6.037 -13.690 -6.567 1.00 1.18 H new ATOM 0 HG2 GLU A 41 -6.515 -15.549 -7.996 1.00 1.44 H new ATOM 0 HG3 GLU A 41 -5.395 -14.547 -8.898 1.00 1.44 H new ATOM 607 N ARG A 42 -4.534 -11.177 -6.899 1.00 0.84 N ATOM 608 CA ARG A 42 -4.554 -9.794 -7.377 1.00 0.79 C ATOM 609 C ARG A 42 -4.082 -8.864 -6.257 1.00 0.76 C ATOM 610 O ARG A 42 -4.345 -9.108 -5.079 1.00 1.03 O ATOM 611 CB ARG A 42 -5.959 -9.378 -7.861 1.00 0.83 C ATOM 612 CG ARG A 42 -6.458 -10.183 -9.073 1.00 1.31 C ATOM 613 CD ARG A 42 -7.802 -9.659 -9.599 1.00 1.55 C ATOM 614 NE ARG A 42 -8.276 -10.496 -10.719 1.00 2.58 N ATOM 615 CZ ARG A 42 -9.361 -10.301 -11.466 1.00 3.47 C ATOM 616 NH1 ARG A 42 -10.180 -9.284 -11.275 1.00 3.91 N ATOM 617 NH2 ARG A 42 -9.637 -11.149 -12.438 1.00 4.61 N ATOM 0 H ARG A 42 -4.850 -11.266 -5.933 1.00 0.84 H new ATOM 0 HA ARG A 42 -3.880 -9.716 -8.230 1.00 0.79 H new ATOM 0 HB2 ARG A 42 -6.667 -9.497 -7.040 1.00 0.83 H new ATOM 0 HB3 ARG A 42 -5.946 -8.319 -8.119 1.00 0.83 H new ATOM 0 HG2 ARG A 42 -5.715 -10.138 -9.869 1.00 1.31 H new ATOM 0 HG3 ARG A 42 -6.562 -11.231 -8.794 1.00 1.31 H new ATOM 0 HD2 ARG A 42 -8.540 -9.661 -8.797 1.00 1.55 H new ATOM 0 HD3 ARG A 42 -7.693 -8.626 -9.929 1.00 1.55 H new ATOM 0 HE ARG A 42 -7.710 -11.314 -10.946 1.00 2.58 H new ATOM 0 HH11 ARG A 42 -9.992 -8.611 -10.532 1.00 3.91 H new ATOM 0 HH12 ARG A 42 -11.001 -9.171 -11.870 1.00 3.91 H new ATOM 0 HH21 ARG A 42 -9.022 -11.944 -12.611 1.00 4.61 H new ATOM 0 HH22 ARG A 42 -10.465 -11.010 -13.017 1.00 4.61 H new ATOM 631 N VAL A 43 -3.421 -7.784 -6.657 1.00 0.67 N ATOM 632 CA VAL A 43 -3.196 -6.569 -5.862 1.00 0.58 C ATOM 633 C VAL A 43 -3.861 -5.392 -6.580 1.00 0.70 C ATOM 634 O VAL A 43 -3.849 -5.340 -7.810 1.00 0.99 O ATOM 635 CB VAL A 43 -1.694 -6.306 -5.629 1.00 0.54 C ATOM 636 CG1 VAL A 43 -0.884 -6.011 -6.904 1.00 0.65 C ATOM 637 CG2 VAL A 43 -1.490 -5.166 -4.626 1.00 0.63 C ATOM 0 H VAL A 43 -3.006 -7.722 -7.587 1.00 0.67 H new ATOM 0 HA VAL A 43 -3.640 -6.698 -4.875 1.00 0.58 H new ATOM 0 HB VAL A 43 -1.309 -7.245 -5.231 1.00 0.54 H new ATOM 0 HG11 VAL A 43 0.160 -5.839 -6.640 1.00 0.65 H new ATOM 0 HG12 VAL A 43 -0.952 -6.861 -7.583 1.00 0.65 H new ATOM 0 HG13 VAL A 43 -1.285 -5.123 -7.393 1.00 0.65 H new ATOM 0 HG21 VAL A 43 -0.423 -4.999 -4.478 1.00 0.63 H new ATOM 0 HG22 VAL A 43 -1.950 -4.256 -5.011 1.00 0.63 H new ATOM 0 HG23 VAL A 43 -1.951 -5.431 -3.675 1.00 0.63 H new ATOM 647 N GLU A 44 -4.454 -4.482 -5.813 1.00 0.60 N ATOM 648 CA GLU A 44 -5.293 -3.384 -6.297 1.00 0.70 C ATOM 649 C GLU A 44 -4.976 -2.132 -5.465 1.00 0.65 C ATOM 650 O GLU A 44 -4.791 -2.238 -4.253 1.00 0.69 O ATOM 651 CB GLU A 44 -6.757 -3.825 -6.139 1.00 1.02 C ATOM 652 CG GLU A 44 -7.722 -3.230 -7.164 1.00 1.11 C ATOM 653 CD GLU A 44 -9.086 -3.899 -6.997 1.00 1.78 C ATOM 654 OE1 GLU A 44 -9.772 -3.525 -6.016 1.00 2.61 O ATOM 655 OE2 GLU A 44 -9.405 -4.788 -7.822 1.00 2.94 O ATOM 0 H GLU A 44 -4.361 -4.487 -4.797 1.00 0.60 H new ATOM 0 HA GLU A 44 -5.107 -3.146 -7.344 1.00 0.70 H new ATOM 0 HB2 GLU A 44 -6.803 -4.912 -6.206 1.00 1.02 H new ATOM 0 HB3 GLU A 44 -7.098 -3.553 -5.140 1.00 1.02 H new ATOM 0 HG2 GLU A 44 -7.809 -2.153 -7.021 1.00 1.11 H new ATOM 0 HG3 GLU A 44 -7.345 -3.388 -8.174 1.00 1.11 H new ATOM 662 N LEU A 45 -4.863 -0.953 -6.086 1.00 0.70 N ATOM 663 CA LEU A 45 -4.377 0.263 -5.422 1.00 0.66 C ATOM 664 C LEU A 45 -5.531 1.181 -4.990 1.00 0.56 C ATOM 665 O LEU A 45 -6.225 1.768 -5.825 1.00 0.49 O ATOM 666 CB LEU A 45 -3.382 0.957 -6.366 1.00 0.86 C ATOM 667 CG LEU A 45 -2.817 2.288 -5.836 1.00 0.66 C ATOM 668 CD1 LEU A 45 -2.084 2.191 -4.492 1.00 0.82 C ATOM 669 CD2 LEU A 45 -1.843 2.853 -6.872 1.00 0.92 C ATOM 0 H LEU A 45 -5.107 -0.814 -7.067 1.00 0.70 H new ATOM 0 HA LEU A 45 -3.864 0.003 -4.496 1.00 0.66 H new ATOM 0 HB2 LEU A 45 -2.552 0.277 -6.561 1.00 0.86 H new ATOM 0 HB3 LEU A 45 -3.875 1.141 -7.321 1.00 0.86 H new ATOM 0 HG LEU A 45 -3.680 2.932 -5.669 1.00 0.66 H new ATOM 0 HD11 LEU A 45 -1.723 3.178 -4.202 1.00 0.82 H new ATOM 0 HD12 LEU A 45 -2.768 1.817 -3.730 1.00 0.82 H new ATOM 0 HD13 LEU A 45 -1.239 1.509 -4.587 1.00 0.82 H new ATOM 0 HD21 LEU A 45 -1.434 3.797 -6.510 1.00 0.92 H new ATOM 0 HD22 LEU A 45 -1.031 2.144 -7.033 1.00 0.92 H new ATOM 0 HD23 LEU A 45 -2.369 3.022 -7.812 1.00 0.92 H new ATOM 681 N HIS A 46 -5.726 1.310 -3.675 1.00 0.62 N ATOM 682 CA HIS A 46 -6.810 2.077 -3.059 1.00 0.59 C ATOM 683 C HIS A 46 -6.312 3.228 -2.180 1.00 0.64 C ATOM 684 O HIS A 46 -5.244 3.165 -1.572 1.00 0.76 O ATOM 685 CB HIS A 46 -7.659 1.157 -2.163 1.00 0.61 C ATOM 686 CG HIS A 46 -8.428 0.035 -2.806 1.00 0.60 C ATOM 687 ND1 HIS A 46 -9.121 -0.921 -2.088 1.00 0.64 N ATOM 688 CD2 HIS A 46 -8.519 -0.289 -4.127 1.00 0.59 C ATOM 689 CE1 HIS A 46 -9.553 -1.833 -2.954 1.00 0.66 C ATOM 690 NE2 HIS A 46 -9.236 -1.471 -4.207 1.00 0.64 N ATOM 0 H HIS A 46 -5.114 0.869 -2.989 1.00 0.62 H new ATOM 0 HA HIS A 46 -7.388 2.493 -3.885 1.00 0.59 H new ATOM 0 HB2 HIS A 46 -6.997 0.719 -1.416 1.00 0.61 H new ATOM 0 HB3 HIS A 46 -8.373 1.783 -1.628 1.00 0.61 H new ATOM 0 HD2 HIS A 46 -8.109 0.271 -4.955 1.00 0.59 H new ATOM 0 HE1 HIS A 46 -10.083 -2.736 -2.687 1.00 0.66 H new ATOM 0 HE2 HIS A 46 -9.479 -1.974 -5.061 1.00 0.64 H new ATOM 698 N GLU A 47 -7.187 4.215 -2.030 1.00 0.60 N ATOM 699 CA GLU A 47 -7.172 5.210 -0.958 1.00 0.67 C ATOM 700 C GLU A 47 -8.180 4.879 0.156 1.00 0.71 C ATOM 701 O GLU A 47 -8.996 3.955 0.039 1.00 0.82 O ATOM 702 CB GLU A 47 -7.424 6.604 -1.541 1.00 0.66 C ATOM 703 CG GLU A 47 -8.873 6.849 -1.943 1.00 0.73 C ATOM 704 CD GLU A 47 -9.091 8.294 -2.363 1.00 0.88 C ATOM 705 OE1 GLU A 47 -8.754 8.648 -3.513 1.00 1.91 O ATOM 706 OE2 GLU A 47 -9.733 9.038 -1.598 1.00 1.80 O ATOM 0 H GLU A 47 -7.962 4.352 -2.679 1.00 0.60 H new ATOM 0 HA GLU A 47 -6.185 5.193 -0.495 1.00 0.67 H new ATOM 0 HB2 GLU A 47 -7.129 7.354 -0.807 1.00 0.66 H new ATOM 0 HB3 GLU A 47 -6.786 6.744 -2.414 1.00 0.66 H new ATOM 0 HG2 GLU A 47 -9.143 6.184 -2.764 1.00 0.73 H new ATOM 0 HG3 GLU A 47 -9.531 6.607 -1.108 1.00 0.73 H new ATOM 713 N THR A 48 -8.189 5.690 1.212 1.00 0.67 N ATOM 714 CA THR A 48 -9.244 5.761 2.230 1.00 0.63 C ATOM 715 C THR A 48 -9.358 7.228 2.618 1.00 0.62 C ATOM 716 O THR A 48 -8.340 7.911 2.723 1.00 0.77 O ATOM 717 CB THR A 48 -8.916 4.846 3.408 1.00 0.87 C ATOM 718 OG1 THR A 48 -9.045 3.551 2.867 1.00 1.20 O ATOM 719 CG2 THR A 48 -9.878 4.942 4.590 1.00 0.81 C ATOM 0 H THR A 48 -7.429 6.346 1.393 1.00 0.67 H new ATOM 0 HA THR A 48 -10.205 5.407 1.858 1.00 0.63 H new ATOM 0 HB THR A 48 -7.938 5.114 3.806 1.00 0.87 H new ATOM 0 HG1 THR A 48 -9.183 3.613 1.899 1.00 1.20 H new ATOM 0 HG21 THR A 48 -9.560 4.255 5.374 1.00 0.81 H new ATOM 0 HG22 THR A 48 -9.877 5.961 4.978 1.00 0.81 H new ATOM 0 HG23 THR A 48 -10.884 4.679 4.263 1.00 0.81 H new ATOM 727 N PHE A 49 -10.592 7.714 2.736 1.00 0.54 N ATOM 728 CA PHE A 49 -10.930 9.134 2.803 1.00 0.57 C ATOM 729 C PHE A 49 -12.015 9.433 3.836 1.00 0.54 C ATOM 730 O PHE A 49 -12.768 8.563 4.272 1.00 0.53 O ATOM 731 CB PHE A 49 -11.363 9.632 1.411 1.00 0.64 C ATOM 732 CG PHE A 49 -12.637 9.013 0.831 1.00 0.60 C ATOM 733 CD1 PHE A 49 -13.875 9.607 1.140 1.00 1.77 C ATOM 734 CD2 PHE A 49 -12.614 7.895 -0.032 1.00 1.97 C ATOM 735 CE1 PHE A 49 -15.072 9.078 0.637 1.00 1.88 C ATOM 736 CE2 PHE A 49 -13.819 7.358 -0.527 1.00 1.92 C ATOM 737 CZ PHE A 49 -15.051 7.941 -0.181 1.00 0.74 C ATOM 0 H PHE A 49 -11.412 7.109 2.789 1.00 0.54 H new ATOM 0 HA PHE A 49 -10.035 9.667 3.125 1.00 0.57 H new ATOM 0 HB2 PHE A 49 -11.501 10.712 1.463 1.00 0.64 H new ATOM 0 HB3 PHE A 49 -10.546 9.448 0.713 1.00 0.64 H new ATOM 0 HD1 PHE A 49 -13.903 10.482 1.773 1.00 1.77 H new ATOM 0 HD2 PHE A 49 -11.671 7.451 -0.313 1.00 1.97 H new ATOM 0 HE1 PHE A 49 -16.013 9.548 0.881 1.00 1.88 H new ATOM 0 HE2 PHE A 49 -13.796 6.494 -1.175 1.00 1.92 H new ATOM 0 HZ PHE A 49 -15.975 7.515 -0.544 1.00 0.74 H new ATOM 747 N MET A 50 -12.133 10.719 4.166 1.00 0.66 N ATOM 748 CA MET A 50 -13.207 11.277 4.978 1.00 0.71 C ATOM 749 C MET A 50 -14.265 11.923 4.074 1.00 0.69 C ATOM 750 O MET A 50 -13.937 12.570 3.083 1.00 0.72 O ATOM 751 CB MET A 50 -12.612 12.292 5.970 1.00 0.87 C ATOM 752 CG MET A 50 -13.727 12.817 6.875 1.00 1.79 C ATOM 753 SD MET A 50 -13.220 13.927 8.209 1.00 2.36 S ATOM 754 CE MET A 50 -14.012 15.450 7.628 1.00 3.69 C ATOM 0 H MET A 50 -11.459 11.422 3.864 1.00 0.66 H new ATOM 0 HA MET A 50 -13.698 10.487 5.546 1.00 0.71 H new ATOM 0 HB2 MET A 50 -11.832 11.821 6.568 1.00 0.87 H new ATOM 0 HB3 MET A 50 -12.146 13.116 5.431 1.00 0.87 H new ATOM 0 HG2 MET A 50 -14.455 13.339 6.254 1.00 1.79 H new ATOM 0 HG3 MET A 50 -14.240 11.963 7.317 1.00 1.79 H new ATOM 0 HE1 MET A 50 -13.808 16.257 8.331 1.00 3.69 H new ATOM 0 HE2 MET A 50 -13.617 15.714 6.647 1.00 3.69 H new ATOM 0 HE3 MET A 50 -15.089 15.295 7.555 1.00 3.69 H new ATOM 764 N ARG A 51 -15.536 11.783 4.455 1.00 0.73 N ATOM 765 CA ARG A 51 -16.696 12.427 3.832 1.00 0.75 C ATOM 766 C ARG A 51 -17.736 12.836 4.882 1.00 0.81 C ATOM 767 O ARG A 51 -17.963 12.123 5.863 1.00 0.79 O ATOM 768 CB ARG A 51 -17.342 11.499 2.779 1.00 0.83 C ATOM 769 CG ARG A 51 -17.517 10.046 3.259 1.00 2.02 C ATOM 770 CD ARG A 51 -18.501 9.224 2.424 1.00 2.62 C ATOM 771 NE ARG A 51 -18.575 7.855 2.963 1.00 4.68 N ATOM 772 CZ ARG A 51 -19.622 7.044 3.001 1.00 6.04 C ATOM 773 NH1 ARG A 51 -20.766 7.325 2.414 1.00 5.74 N ATOM 774 NH2 ARG A 51 -19.509 5.912 3.663 1.00 7.98 N ATOM 0 H ARG A 51 -15.798 11.190 5.243 1.00 0.73 H new ATOM 0 HA ARG A 51 -16.341 13.328 3.333 1.00 0.75 H new ATOM 0 HB2 ARG A 51 -18.317 11.901 2.502 1.00 0.83 H new ATOM 0 HB3 ARG A 51 -16.728 11.503 1.878 1.00 0.83 H new ATOM 0 HG2 ARG A 51 -16.546 9.552 3.246 1.00 2.02 H new ATOM 0 HG3 ARG A 51 -17.856 10.056 4.295 1.00 2.02 H new ATOM 0 HD2 ARG A 51 -19.487 9.688 2.443 1.00 2.62 H new ATOM 0 HD3 ARG A 51 -18.180 9.200 1.383 1.00 2.62 H new ATOM 0 HE ARG A 51 -17.710 7.484 3.357 1.00 4.68 H new ATOM 0 HH11 ARG A 51 -20.875 8.200 1.901 1.00 5.74 H new ATOM 0 HH12 ARG A 51 -21.544 6.668 2.472 1.00 5.74 H new ATOM 0 HH21 ARG A 51 -18.632 5.679 4.129 1.00 7.98 H new ATOM 0 HH22 ARG A 51 -20.298 5.268 3.710 1.00 7.98 H new ATOM 788 N GLU A 52 -18.410 13.955 4.653 1.00 1.00 N ATOM 789 CA GLU A 52 -19.686 14.278 5.250 1.00 1.06 C ATOM 790 C GLU A 52 -20.815 13.570 4.486 1.00 1.14 C ATOM 791 O GLU A 52 -20.765 13.483 3.262 1.00 1.29 O ATOM 792 CB GLU A 52 -19.842 15.806 5.184 1.00 1.30 C ATOM 793 CG GLU A 52 -20.170 16.384 6.550 1.00 1.73 C ATOM 794 CD GLU A 52 -19.081 16.186 7.609 1.00 2.30 C ATOM 795 OE1 GLU A 52 -17.878 16.091 7.288 1.00 3.67 O ATOM 796 OE2 GLU A 52 -19.435 16.106 8.807 1.00 2.39 O ATOM 0 H GLU A 52 -18.067 14.682 4.025 1.00 1.00 H new ATOM 0 HA GLU A 52 -19.736 13.942 6.286 1.00 1.06 H new ATOM 0 HB2 GLU A 52 -18.921 16.252 4.809 1.00 1.30 H new ATOM 0 HB3 GLU A 52 -20.632 16.063 4.478 1.00 1.30 H new ATOM 0 HG2 GLU A 52 -20.361 17.452 6.441 1.00 1.73 H new ATOM 0 HG3 GLU A 52 -21.093 15.930 6.909 1.00 1.73 H new ATOM 803 N VAL A 53 -21.827 13.077 5.199 1.00 1.21 N ATOM 804 CA VAL A 53 -23.086 12.540 4.662 1.00 1.42 C ATOM 805 C VAL A 53 -24.202 13.060 5.574 1.00 1.48 C ATOM 806 O VAL A 53 -24.119 12.872 6.782 1.00 1.91 O ATOM 807 CB VAL A 53 -23.069 10.991 4.643 1.00 1.65 C ATOM 808 CG1 VAL A 53 -24.388 10.421 4.092 1.00 1.94 C ATOM 809 CG2 VAL A 53 -21.918 10.426 3.792 1.00 2.45 C ATOM 0 H VAL A 53 -21.794 13.037 6.218 1.00 1.21 H new ATOM 0 HA VAL A 53 -23.237 12.861 3.631 1.00 1.42 H new ATOM 0 HB VAL A 53 -22.930 10.688 5.681 1.00 1.65 H new ATOM 0 HG11 VAL A 53 -24.342 9.332 4.093 1.00 1.94 H new ATOM 0 HG12 VAL A 53 -25.217 10.750 4.719 1.00 1.94 H new ATOM 0 HG13 VAL A 53 -24.541 10.777 3.073 1.00 1.94 H new ATOM 0 HG21 VAL A 53 -21.951 9.337 3.812 1.00 2.45 H new ATOM 0 HG22 VAL A 53 -22.021 10.773 2.764 1.00 2.45 H new ATOM 0 HG23 VAL A 53 -20.965 10.767 4.196 1.00 2.45 H new ATOM 819 N GLU A 54 -25.174 13.797 5.022 1.00 1.63 N ATOM 820 CA GLU A 54 -26.251 14.498 5.764 1.00 1.86 C ATOM 821 C GLU A 54 -25.739 15.594 6.733 1.00 1.99 C ATOM 822 O GLU A 54 -26.459 16.005 7.640 1.00 2.32 O ATOM 823 CB GLU A 54 -27.146 13.516 6.550 1.00 1.97 C ATOM 824 CG GLU A 54 -27.822 12.388 5.768 1.00 2.25 C ATOM 825 CD GLU A 54 -28.397 11.422 6.798 1.00 2.63 C ATOM 826 OE1 GLU A 54 -27.655 10.508 7.223 1.00 3.24 O ATOM 827 OE2 GLU A 54 -29.467 11.714 7.380 1.00 3.37 O ATOM 0 H GLU A 54 -25.242 13.932 4.013 1.00 1.63 H new ATOM 0 HA GLU A 54 -26.835 14.990 4.986 1.00 1.86 H new ATOM 0 HB2 GLU A 54 -26.539 13.063 7.334 1.00 1.97 H new ATOM 0 HB3 GLU A 54 -27.926 14.095 7.045 1.00 1.97 H new ATOM 0 HG2 GLU A 54 -28.609 12.781 5.125 1.00 2.25 H new ATOM 0 HG3 GLU A 54 -27.105 11.882 5.121 1.00 2.25 H new ATOM 834 N GLY A 55 -24.484 16.039 6.594 1.00 1.90 N ATOM 835 CA GLY A 55 -23.821 16.922 7.575 1.00 2.10 C ATOM 836 C GLY A 55 -23.176 16.172 8.750 1.00 1.92 C ATOM 837 O GLY A 55 -22.855 16.774 9.772 1.00 2.19 O ATOM 0 H GLY A 55 -23.894 15.799 5.797 1.00 1.90 H new ATOM 0 HA2 GLY A 55 -23.055 17.506 7.065 1.00 2.10 H new ATOM 0 HA3 GLY A 55 -24.553 17.629 7.966 1.00 2.10 H new ATOM 841 N LYS A 56 -22.981 14.860 8.604 1.00 1.59 N ATOM 842 CA LYS A 56 -22.408 13.929 9.573 1.00 1.54 C ATOM 843 C LYS A 56 -21.169 13.269 8.939 1.00 1.26 C ATOM 844 O LYS A 56 -21.252 12.637 7.881 1.00 1.10 O ATOM 845 CB LYS A 56 -23.440 12.830 9.937 1.00 1.60 C ATOM 846 CG LYS A 56 -24.899 13.283 10.157 1.00 1.86 C ATOM 847 CD LYS A 56 -25.841 12.067 10.140 1.00 1.89 C ATOM 848 CE LYS A 56 -27.312 12.506 10.099 1.00 2.23 C ATOM 849 NZ LYS A 56 -28.195 11.372 9.738 1.00 2.33 N ATOM 0 H LYS A 56 -23.240 14.387 7.738 1.00 1.59 H new ATOM 0 HA LYS A 56 -22.135 14.468 10.480 1.00 1.54 H new ATOM 0 HB2 LYS A 56 -23.433 12.083 9.143 1.00 1.60 H new ATOM 0 HB3 LYS A 56 -23.099 12.333 10.845 1.00 1.60 H new ATOM 0 HG2 LYS A 56 -24.985 13.806 11.109 1.00 1.86 H new ATOM 0 HG3 LYS A 56 -25.190 13.988 9.379 1.00 1.86 H new ATOM 0 HD2 LYS A 56 -25.620 11.444 9.273 1.00 1.89 H new ATOM 0 HD3 LYS A 56 -25.666 11.455 11.025 1.00 1.89 H new ATOM 0 HE2 LYS A 56 -27.604 12.904 11.071 1.00 2.23 H new ATOM 0 HE3 LYS A 56 -27.435 13.312 9.375 1.00 2.23 H new ATOM 0 HZ1 LYS A 56 -28.997 11.722 9.176 1.00 2.33 H new ATOM 0 HZ2 LYS A 56 -27.658 10.678 9.180 1.00 2.33 H new ATOM 0 HZ3 LYS A 56 -28.551 10.920 10.604 1.00 2.33 H new ATOM 863 N LYS A 57 -19.997 13.411 9.546 1.00 1.34 N ATOM 864 CA LYS A 57 -18.756 12.804 9.075 1.00 1.11 C ATOM 865 C LYS A 57 -18.710 11.285 9.283 1.00 1.01 C ATOM 866 O LYS A 57 -19.099 10.756 10.317 1.00 1.17 O ATOM 867 CB LYS A 57 -17.508 13.523 9.617 1.00 1.42 C ATOM 868 CG LYS A 57 -17.498 13.874 11.115 1.00 1.80 C ATOM 869 CD LYS A 57 -16.369 14.867 11.458 1.00 2.74 C ATOM 870 CE LYS A 57 -16.764 16.354 11.335 1.00 3.14 C ATOM 871 NZ LYS A 57 -17.082 16.788 9.951 1.00 3.73 N ATOM 0 H LYS A 57 -19.879 13.962 10.396 1.00 1.34 H new ATOM 0 HA LYS A 57 -18.744 12.947 7.994 1.00 1.11 H new ATOM 0 HB2 LYS A 57 -16.640 12.897 9.410 1.00 1.42 H new ATOM 0 HB3 LYS A 57 -17.377 14.446 9.052 1.00 1.42 H new ATOM 0 HG2 LYS A 57 -18.459 14.305 11.395 1.00 1.80 H new ATOM 0 HG3 LYS A 57 -17.374 12.964 11.702 1.00 1.80 H new ATOM 0 HD2 LYS A 57 -16.033 14.677 12.477 1.00 2.74 H new ATOM 0 HD3 LYS A 57 -15.521 14.674 10.801 1.00 2.74 H new ATOM 0 HE2 LYS A 57 -17.629 16.542 11.970 1.00 3.14 H new ATOM 0 HE3 LYS A 57 -15.948 16.968 11.718 1.00 3.14 H new ATOM 0 HZ1 LYS A 57 -16.827 17.789 9.834 1.00 3.73 H new ATOM 0 HZ2 LYS A 57 -16.543 16.212 9.274 1.00 3.73 H new ATOM 0 HZ3 LYS A 57 -18.100 16.667 9.775 1.00 3.73 H new ATOM 885 N VAL A 58 -18.172 10.620 8.269 1.00 0.94 N ATOM 886 CA VAL A 58 -17.913 9.175 8.162 1.00 1.05 C ATOM 887 C VAL A 58 -16.771 8.961 7.153 1.00 0.96 C ATOM 888 O VAL A 58 -16.362 9.904 6.476 1.00 1.12 O ATOM 889 CB VAL A 58 -19.220 8.419 7.796 1.00 1.17 C ATOM 890 CG1 VAL A 58 -19.716 8.750 6.377 1.00 2.04 C ATOM 891 CG2 VAL A 58 -19.102 6.894 7.960 1.00 2.52 C ATOM 0 H VAL A 58 -17.878 11.112 7.425 1.00 0.94 H new ATOM 0 HA VAL A 58 -17.592 8.760 9.117 1.00 1.05 H new ATOM 0 HB VAL A 58 -19.958 8.778 8.514 1.00 1.17 H new ATOM 0 HG11 VAL A 58 -20.632 8.195 6.173 1.00 2.04 H new ATOM 0 HG12 VAL A 58 -19.915 9.819 6.301 1.00 2.04 H new ATOM 0 HG13 VAL A 58 -18.953 8.471 5.650 1.00 2.04 H new ATOM 0 HG21 VAL A 58 -20.048 6.425 7.689 1.00 2.52 H new ATOM 0 HG22 VAL A 58 -18.311 6.518 7.311 1.00 2.52 H new ATOM 0 HG23 VAL A 58 -18.863 6.657 8.997 1.00 2.52 H new ATOM 901 N MET A 59 -16.220 7.753 7.043 1.00 0.81 N ATOM 902 CA MET A 59 -15.173 7.437 6.061 1.00 0.68 C ATOM 903 C MET A 59 -15.705 6.710 4.819 1.00 0.63 C ATOM 904 O MET A 59 -16.875 6.315 4.743 1.00 0.76 O ATOM 905 CB MET A 59 -14.020 6.668 6.730 1.00 0.77 C ATOM 906 CG MET A 59 -13.320 7.550 7.773 1.00 0.91 C ATOM 907 SD MET A 59 -11.654 7.014 8.239 1.00 2.46 S ATOM 908 CE MET A 59 -11.930 5.275 8.653 1.00 3.84 C ATOM 0 H MET A 59 -16.484 6.962 7.631 1.00 0.81 H new ATOM 0 HA MET A 59 -14.785 8.387 5.694 1.00 0.68 H new ATOM 0 HB2 MET A 59 -14.405 5.766 7.207 1.00 0.77 H new ATOM 0 HB3 MET A 59 -13.302 6.348 5.975 1.00 0.77 H new ATOM 0 HG2 MET A 59 -13.263 8.567 7.386 1.00 0.91 H new ATOM 0 HG3 MET A 59 -13.938 7.585 8.670 1.00 0.91 H new ATOM 0 HE1 MET A 59 -11.024 4.857 9.091 1.00 3.84 H new ATOM 0 HE2 MET A 59 -12.748 5.197 9.369 1.00 3.84 H new ATOM 0 HE3 MET A 59 -12.184 4.722 7.749 1.00 3.84 H new ATOM 918 N GLY A 60 -14.827 6.548 3.829 1.00 0.56 N ATOM 919 CA GLY A 60 -14.975 5.676 2.663 1.00 0.61 C ATOM 920 C GLY A 60 -13.614 5.221 2.131 1.00 0.55 C ATOM 921 O GLY A 60 -12.575 5.672 2.599 1.00 0.50 O ATOM 0 H GLY A 60 -13.940 7.052 3.819 1.00 0.56 H new ATOM 0 HA2 GLY A 60 -15.572 4.805 2.932 1.00 0.61 H new ATOM 0 HA3 GLY A 60 -15.516 6.204 1.878 1.00 0.61 H new ATOM 925 N MET A 61 -13.620 4.328 1.149 1.00 0.63 N ATOM 926 CA MET A 61 -12.444 3.814 0.432 1.00 0.57 C ATOM 927 C MET A 61 -12.776 3.778 -1.059 1.00 0.50 C ATOM 928 O MET A 61 -13.950 3.666 -1.411 1.00 0.55 O ATOM 929 CB MET A 61 -12.110 2.424 1.008 1.00 0.69 C ATOM 930 CG MET A 61 -11.274 1.485 0.120 1.00 0.77 C ATOM 931 SD MET A 61 -11.200 -0.260 0.643 1.00 0.71 S ATOM 932 CE MET A 61 -11.130 -0.087 2.439 1.00 1.16 C ATOM 0 H MET A 61 -14.489 3.917 0.808 1.00 0.63 H new ATOM 0 HA MET A 61 -11.565 4.446 0.558 1.00 0.57 H new ATOM 0 HB2 MET A 61 -11.577 2.566 1.948 1.00 0.69 H new ATOM 0 HB3 MET A 61 -13.047 1.921 1.246 1.00 0.69 H new ATOM 0 HG2 MET A 61 -11.676 1.523 -0.893 1.00 0.77 H new ATOM 0 HG3 MET A 61 -10.256 1.873 0.074 1.00 0.77 H new ATOM 0 HE1 MET A 61 -10.817 -1.032 2.884 1.00 1.16 H new ATOM 0 HE2 MET A 61 -10.415 0.693 2.702 1.00 1.16 H new ATOM 0 HE3 MET A 61 -12.116 0.183 2.817 1.00 1.16 H new ATOM 942 N ARG A 62 -11.769 3.869 -1.931 1.00 0.52 N ATOM 943 CA ARG A 62 -11.933 3.761 -3.388 1.00 0.54 C ATOM 944 C ARG A 62 -10.603 3.391 -4.069 1.00 0.50 C ATOM 945 O ARG A 62 -9.553 3.666 -3.481 1.00 0.47 O ATOM 946 CB ARG A 62 -12.552 5.060 -3.957 1.00 0.67 C ATOM 947 CG ARG A 62 -11.616 6.272 -3.933 1.00 1.55 C ATOM 948 CD ARG A 62 -12.224 7.487 -4.635 1.00 1.79 C ATOM 949 NE ARG A 62 -11.312 8.629 -4.511 1.00 2.83 N ATOM 950 CZ ARG A 62 -11.589 9.883 -4.212 1.00 3.72 C ATOM 951 NH1 ARG A 62 -12.813 10.364 -4.233 1.00 4.10 N ATOM 952 NH2 ARG A 62 -10.599 10.668 -3.863 1.00 4.69 N ATOM 0 H ARG A 62 -10.802 4.022 -1.644 1.00 0.52 H new ATOM 0 HA ARG A 62 -12.627 2.950 -3.606 1.00 0.54 H new ATOM 0 HB2 ARG A 62 -12.865 4.879 -4.985 1.00 0.67 H new ATOM 0 HB3 ARG A 62 -13.450 5.299 -3.388 1.00 0.67 H new ATOM 0 HG2 ARG A 62 -11.385 6.530 -2.899 1.00 1.55 H new ATOM 0 HG3 ARG A 62 -10.674 6.010 -4.414 1.00 1.55 H new ATOM 0 HD2 ARG A 62 -12.402 7.262 -5.687 1.00 1.79 H new ATOM 0 HD3 ARG A 62 -13.191 7.730 -4.193 1.00 1.79 H new ATOM 0 HE ARG A 62 -10.327 8.425 -4.679 1.00 2.83 H new ATOM 0 HH11 ARG A 62 -13.594 9.760 -4.488 1.00 4.10 H new ATOM 0 HH12 ARG A 62 -12.981 11.341 -3.994 1.00 4.10 H new ATOM 0 HH21 ARG A 62 -9.647 10.304 -3.829 1.00 4.69 H new ATOM 0 HH22 ARG A 62 -10.781 11.643 -3.626 1.00 4.69 H new ATOM 966 N PRO A 63 -10.616 2.785 -5.271 1.00 0.51 N ATOM 967 CA PRO A 63 -9.408 2.591 -6.061 1.00 0.47 C ATOM 968 C PRO A 63 -8.933 3.916 -6.665 1.00 0.47 C ATOM 969 O PRO A 63 -9.726 4.838 -6.845 1.00 0.51 O ATOM 970 CB PRO A 63 -9.772 1.559 -7.123 1.00 0.49 C ATOM 971 CG PRO A 63 -11.252 1.845 -7.372 1.00 0.53 C ATOM 972 CD PRO A 63 -11.764 2.235 -5.984 1.00 0.56 C ATOM 0 HA PRO A 63 -8.573 2.237 -5.457 1.00 0.47 H new ATOM 0 HB2 PRO A 63 -9.177 1.682 -8.028 1.00 0.49 H new ATOM 0 HB3 PRO A 63 -9.610 0.540 -6.771 1.00 0.49 H new ATOM 0 HG2 PRO A 63 -11.392 2.649 -8.095 1.00 0.53 H new ATOM 0 HG3 PRO A 63 -11.772 0.971 -7.763 1.00 0.53 H new ATOM 0 HD2 PRO A 63 -12.566 2.969 -6.056 1.00 0.56 H new ATOM 0 HD3 PRO A 63 -12.170 1.369 -5.461 1.00 0.56 H new ATOM 980 N VAL A 64 -7.633 3.995 -6.963 1.00 0.45 N ATOM 981 CA VAL A 64 -6.934 5.201 -7.458 1.00 0.43 C ATOM 982 C VAL A 64 -5.895 4.817 -8.532 1.00 0.40 C ATOM 983 O VAL A 64 -5.518 3.643 -8.587 1.00 0.46 O ATOM 984 CB VAL A 64 -6.281 5.996 -6.301 1.00 0.52 C ATOM 985 CG1 VAL A 64 -7.327 6.475 -5.289 1.00 0.85 C ATOM 986 CG2 VAL A 64 -5.168 5.230 -5.574 1.00 0.61 C ATOM 0 H VAL A 64 -7.008 3.195 -6.865 1.00 0.45 H new ATOM 0 HA VAL A 64 -7.675 5.856 -7.917 1.00 0.43 H new ATOM 0 HB VAL A 64 -5.814 6.858 -6.778 1.00 0.52 H new ATOM 0 HG11 VAL A 64 -6.834 7.029 -4.491 1.00 0.85 H new ATOM 0 HG12 VAL A 64 -8.047 7.123 -5.789 1.00 0.85 H new ATOM 0 HG13 VAL A 64 -7.845 5.614 -4.866 1.00 0.85 H new ATOM 0 HG21 VAL A 64 -4.759 5.851 -4.777 1.00 0.61 H new ATOM 0 HG22 VAL A 64 -5.576 4.314 -5.147 1.00 0.61 H new ATOM 0 HG23 VAL A 64 -4.377 4.980 -6.281 1.00 0.61 H new ATOM 996 N PRO A 65 -5.439 5.741 -9.407 1.00 0.44 N ATOM 997 CA PRO A 65 -4.653 5.383 -10.587 1.00 0.48 C ATOM 998 C PRO A 65 -3.167 5.176 -10.280 1.00 0.44 C ATOM 999 O PRO A 65 -2.522 4.418 -10.998 1.00 0.44 O ATOM 1000 CB PRO A 65 -4.885 6.524 -11.576 1.00 0.63 C ATOM 1001 CG PRO A 65 -5.057 7.741 -10.671 1.00 0.67 C ATOM 1002 CD PRO A 65 -5.745 7.166 -9.435 1.00 0.56 C ATOM 0 HA PRO A 65 -4.969 4.421 -10.991 1.00 0.48 H new ATOM 0 HB2 PRO A 65 -4.042 6.644 -12.257 1.00 0.63 H new ATOM 0 HB3 PRO A 65 -5.769 6.351 -12.190 1.00 0.63 H new ATOM 0 HG2 PRO A 65 -4.098 8.196 -10.422 1.00 0.67 H new ATOM 0 HG3 PRO A 65 -5.663 8.513 -11.146 1.00 0.67 H new ATOM 0 HD2 PRO A 65 -5.386 7.656 -8.530 1.00 0.56 H new ATOM 0 HD3 PRO A 65 -6.822 7.329 -9.481 1.00 0.56 H new ATOM 1010 N PHE A 66 -2.635 5.830 -9.237 1.00 0.46 N ATOM 1011 CA PHE A 66 -1.220 5.779 -8.830 1.00 0.47 C ATOM 1012 C PHE A 66 -0.953 6.597 -7.558 1.00 0.57 C ATOM 1013 O PHE A 66 -1.732 7.481 -7.206 1.00 0.62 O ATOM 1014 CB PHE A 66 -0.294 6.277 -9.955 1.00 0.50 C ATOM 1015 CG PHE A 66 -0.513 7.723 -10.337 1.00 0.63 C ATOM 1016 CD1 PHE A 66 0.108 8.739 -9.596 1.00 2.28 C ATOM 1017 CD2 PHE A 66 -1.373 8.052 -11.396 1.00 1.68 C ATOM 1018 CE1 PHE A 66 -0.142 10.089 -9.877 1.00 2.42 C ATOM 1019 CE2 PHE A 66 -1.610 9.405 -11.706 1.00 1.62 C ATOM 1020 CZ PHE A 66 -0.999 10.423 -10.941 1.00 0.90 C ATOM 0 H PHE A 66 -3.196 6.430 -8.632 1.00 0.46 H new ATOM 0 HA PHE A 66 -1.002 4.732 -8.620 1.00 0.47 H new ATOM 0 HB2 PHE A 66 0.742 6.147 -9.643 1.00 0.50 H new ATOM 0 HB3 PHE A 66 -0.442 5.653 -10.836 1.00 0.50 H new ATOM 0 HD1 PHE A 66 0.788 8.478 -8.798 1.00 2.28 H new ATOM 0 HD2 PHE A 66 -1.850 7.272 -11.970 1.00 1.68 H new ATOM 0 HE1 PHE A 66 0.318 10.865 -9.283 1.00 2.42 H new ATOM 0 HE2 PHE A 66 -2.259 9.664 -12.529 1.00 1.62 H new ATOM 0 HZ PHE A 66 -1.190 11.460 -11.174 1.00 0.90 H new ATOM 1030 N LEU A 67 0.208 6.366 -6.936 1.00 0.65 N ATOM 1031 CA LEU A 67 0.848 7.282 -5.981 1.00 0.77 C ATOM 1032 C LEU A 67 2.086 7.932 -6.612 1.00 0.79 C ATOM 1033 O LEU A 67 2.642 7.390 -7.562 1.00 0.66 O ATOM 1034 CB LEU A 67 1.286 6.523 -4.717 1.00 0.84 C ATOM 1035 CG LEU A 67 0.224 5.641 -4.041 1.00 0.83 C ATOM 1036 CD1 LEU A 67 0.814 5.145 -2.720 1.00 0.95 C ATOM 1037 CD2 LEU A 67 -1.092 6.367 -3.762 1.00 0.86 C ATOM 0 H LEU A 67 0.745 5.512 -7.086 1.00 0.65 H new ATOM 0 HA LEU A 67 0.121 8.050 -5.716 1.00 0.77 H new ATOM 0 HB2 LEU A 67 2.137 5.893 -4.976 1.00 0.84 H new ATOM 0 HB3 LEU A 67 1.639 7.252 -3.987 1.00 0.84 H new ATOM 0 HG LEU A 67 -0.019 4.826 -4.723 1.00 0.83 H new ATOM 0 HD11 LEU A 67 0.086 4.514 -2.211 1.00 0.95 H new ATOM 0 HD12 LEU A 67 1.718 4.569 -2.919 1.00 0.95 H new ATOM 0 HD13 LEU A 67 1.059 5.998 -2.088 1.00 0.95 H new ATOM 0 HD21 LEU A 67 -1.792 5.681 -3.284 1.00 0.86 H new ATOM 0 HD22 LEU A 67 -0.907 7.215 -3.102 1.00 0.86 H new ATOM 0 HD23 LEU A 67 -1.517 6.724 -4.700 1.00 0.86 H new ATOM 1049 N GLU A 68 2.562 9.056 -6.084 1.00 0.99 N ATOM 1050 CA GLU A 68 3.731 9.764 -6.612 1.00 0.99 C ATOM 1051 C GLU A 68 4.547 10.410 -5.494 1.00 0.82 C ATOM 1052 O GLU A 68 3.980 10.836 -4.491 1.00 0.80 O ATOM 1053 CB GLU A 68 3.268 10.783 -7.662 1.00 1.11 C ATOM 1054 CG GLU A 68 4.344 11.803 -8.087 1.00 1.04 C ATOM 1055 CD GLU A 68 4.059 12.408 -9.464 1.00 0.92 C ATOM 1056 OE1 GLU A 68 2.938 12.228 -9.986 1.00 2.04 O ATOM 1057 OE2 GLU A 68 4.998 12.949 -10.083 1.00 1.47 O ATOM 0 H GLU A 68 2.145 9.508 -5.270 1.00 0.99 H new ATOM 0 HA GLU A 68 4.399 9.051 -7.094 1.00 0.99 H new ATOM 0 HB2 GLU A 68 2.928 10.244 -8.546 1.00 1.11 H new ATOM 0 HB3 GLU A 68 2.408 11.325 -7.268 1.00 1.11 H new ATOM 0 HG2 GLU A 68 4.398 12.601 -7.346 1.00 1.04 H new ATOM 0 HG3 GLU A 68 5.319 11.315 -8.102 1.00 1.04 H new ATOM 1064 N VAL A 69 5.870 10.484 -5.684 1.00 0.82 N ATOM 1065 CA VAL A 69 6.797 11.144 -4.760 1.00 0.80 C ATOM 1066 C VAL A 69 7.935 11.866 -5.511 1.00 0.75 C ATOM 1067 O VAL A 69 8.573 11.246 -6.369 1.00 0.81 O ATOM 1068 CB VAL A 69 7.394 10.130 -3.744 1.00 0.95 C ATOM 1069 CG1 VAL A 69 8.323 10.787 -2.707 1.00 0.99 C ATOM 1070 CG2 VAL A 69 6.307 9.359 -2.983 1.00 1.14 C ATOM 0 H VAL A 69 6.333 10.080 -6.498 1.00 0.82 H new ATOM 0 HA VAL A 69 6.221 11.891 -4.214 1.00 0.80 H new ATOM 0 HB VAL A 69 7.976 9.443 -4.358 1.00 0.95 H new ATOM 0 HG11 VAL A 69 8.706 10.026 -2.028 1.00 0.99 H new ATOM 0 HG12 VAL A 69 9.156 11.269 -3.219 1.00 0.99 H new ATOM 0 HG13 VAL A 69 7.765 11.532 -2.139 1.00 0.99 H new ATOM 0 HG21 VAL A 69 6.775 8.664 -2.286 1.00 1.14 H new ATOM 0 HG22 VAL A 69 5.682 10.061 -2.431 1.00 1.14 H new ATOM 0 HG23 VAL A 69 5.691 8.804 -3.691 1.00 1.14 H new ATOM 1080 N PRO A 70 8.224 13.145 -5.188 1.00 0.75 N ATOM 1081 CA PRO A 70 9.288 13.929 -5.812 1.00 0.78 C ATOM 1082 C PRO A 70 10.693 13.473 -5.369 1.00 0.76 C ATOM 1083 O PRO A 70 10.818 12.795 -4.347 1.00 0.81 O ATOM 1084 CB PRO A 70 9.011 15.381 -5.402 1.00 0.88 C ATOM 1085 CG PRO A 70 8.345 15.236 -4.038 1.00 0.90 C ATOM 1086 CD PRO A 70 7.512 13.971 -4.216 1.00 0.83 C ATOM 0 HA PRO A 70 9.285 13.803 -6.895 1.00 0.78 H new ATOM 0 HB2 PRO A 70 9.930 15.965 -5.342 1.00 0.88 H new ATOM 0 HB3 PRO A 70 8.360 15.884 -6.117 1.00 0.88 H new ATOM 0 HG2 PRO A 70 9.077 15.132 -3.237 1.00 0.90 H new ATOM 0 HG3 PRO A 70 7.726 16.099 -3.794 1.00 0.90 H new ATOM 0 HD2 PRO A 70 7.397 13.445 -3.268 1.00 0.83 H new ATOM 0 HD3 PRO A 70 6.510 14.212 -4.570 1.00 0.83 H new ATOM 1094 N PRO A 71 11.756 13.840 -6.116 1.00 0.77 N ATOM 1095 CA PRO A 71 13.133 13.433 -5.842 1.00 0.76 C ATOM 1096 C PRO A 71 13.627 13.877 -4.462 1.00 0.84 C ATOM 1097 O PRO A 71 13.376 15.008 -4.051 1.00 0.98 O ATOM 1098 CB PRO A 71 13.967 14.019 -6.979 1.00 0.82 C ATOM 1099 CG PRO A 71 13.117 15.137 -7.568 1.00 0.88 C ATOM 1100 CD PRO A 71 11.700 14.635 -7.334 1.00 0.84 C ATOM 0 HA PRO A 71 13.217 12.347 -5.807 1.00 0.76 H new ATOM 0 HB2 PRO A 71 14.919 14.401 -6.611 1.00 0.82 H new ATOM 0 HB3 PRO A 71 14.196 13.262 -7.729 1.00 0.82 H new ATOM 0 HG2 PRO A 71 13.297 16.089 -7.069 1.00 0.88 H new ATOM 0 HG3 PRO A 71 13.324 15.288 -8.627 1.00 0.88 H new ATOM 0 HD2 PRO A 71 11.004 15.467 -7.226 1.00 0.84 H new ATOM 0 HD3 PRO A 71 11.353 14.036 -8.176 1.00 0.84 H new ATOM 1108 N LYS A 72 14.302 12.965 -3.739 1.00 0.83 N ATOM 1109 CA LYS A 72 14.869 13.147 -2.381 1.00 0.97 C ATOM 1110 C LYS A 72 13.820 13.341 -1.272 1.00 1.11 C ATOM 1111 O LYS A 72 14.152 13.365 -0.087 1.00 1.28 O ATOM 1112 CB LYS A 72 15.948 14.245 -2.392 1.00 1.12 C ATOM 1113 CG LYS A 72 17.304 13.783 -2.946 1.00 1.43 C ATOM 1114 CD LYS A 72 17.276 12.986 -4.262 1.00 1.36 C ATOM 1115 CE LYS A 72 18.653 12.553 -4.776 1.00 1.69 C ATOM 1116 NZ LYS A 72 19.485 13.692 -5.222 1.00 1.89 N ATOM 0 H LYS A 72 14.479 12.028 -4.102 1.00 0.83 H new ATOM 0 HA LYS A 72 15.347 12.204 -2.115 1.00 0.97 H new ATOM 0 HB2 LYS A 72 15.591 15.085 -2.988 1.00 1.12 H new ATOM 0 HB3 LYS A 72 16.089 14.612 -1.375 1.00 1.12 H new ATOM 0 HG2 LYS A 72 17.929 14.664 -3.094 1.00 1.43 H new ATOM 0 HG3 LYS A 72 17.791 13.171 -2.187 1.00 1.43 H new ATOM 0 HD2 LYS A 72 16.660 12.098 -4.120 1.00 1.36 H new ATOM 0 HD3 LYS A 72 16.791 13.591 -5.028 1.00 1.36 H new ATOM 0 HE2 LYS A 72 19.177 12.014 -3.987 1.00 1.69 H new ATOM 0 HE3 LYS A 72 18.524 11.857 -5.605 1.00 1.69 H new ATOM 0 HZ1 LYS A 72 20.255 13.343 -5.827 1.00 1.89 H new ATOM 0 HZ2 LYS A 72 18.898 14.361 -5.760 1.00 1.89 H new ATOM 0 HZ3 LYS A 72 19.887 14.174 -4.393 1.00 1.89 H new ATOM 1130 N GLY A 73 12.549 13.435 -1.656 1.00 1.15 N ATOM 1131 CA GLY A 73 11.378 13.446 -0.767 1.00 1.28 C ATOM 1132 C GLY A 73 10.982 12.041 -0.297 1.00 1.21 C ATOM 1133 O GLY A 73 11.440 11.037 -0.845 1.00 1.13 O ATOM 0 H GLY A 73 12.290 13.509 -2.640 1.00 1.15 H new ATOM 0 HA2 GLY A 73 11.592 14.069 0.102 1.00 1.28 H new ATOM 0 HA3 GLY A 73 10.536 13.902 -1.287 1.00 1.28 H new ATOM 1137 N ARG A 74 10.094 11.963 0.703 1.00 1.33 N ATOM 1138 CA ARG A 74 9.528 10.697 1.189 1.00 1.24 C ATOM 1139 C ARG A 74 8.063 10.840 1.604 1.00 1.52 C ATOM 1140 O ARG A 74 7.640 11.907 2.046 1.00 1.97 O ATOM 1141 CB ARG A 74 10.423 10.067 2.282 1.00 1.61 C ATOM 1142 CG ARG A 74 10.188 10.481 3.749 1.00 1.60 C ATOM 1143 CD ARG A 74 9.416 9.461 4.603 1.00 1.62 C ATOM 1144 NE ARG A 74 7.938 9.595 4.571 1.00 2.97 N ATOM 1145 CZ ARG A 74 7.227 10.566 5.144 1.00 4.24 C ATOM 1146 NH1 ARG A 74 7.813 11.587 5.726 1.00 4.67 N ATOM 1147 NH2 ARG A 74 5.906 10.565 5.160 1.00 5.87 N ATOM 0 H ARG A 74 9.746 12.782 1.201 1.00 1.33 H new ATOM 0 HA ARG A 74 9.520 9.993 0.357 1.00 1.24 H new ATOM 0 HB2 ARG A 74 10.311 8.985 2.220 1.00 1.61 H new ATOM 0 HB3 ARG A 74 11.460 10.295 2.034 1.00 1.61 H new ATOM 0 HG2 ARG A 74 11.155 10.664 4.217 1.00 1.60 H new ATOM 0 HG3 ARG A 74 9.644 11.426 3.760 1.00 1.60 H new ATOM 0 HD2 ARG A 74 9.681 8.458 4.269 1.00 1.62 H new ATOM 0 HD3 ARG A 74 9.750 9.551 5.637 1.00 1.62 H new ATOM 0 HE ARG A 74 7.419 8.878 4.064 1.00 2.97 H new ATOM 0 HH11 ARG A 74 8.831 11.648 5.745 1.00 4.67 H new ATOM 0 HH12 ARG A 74 7.250 12.319 6.159 1.00 4.67 H new ATOM 0 HH21 ARG A 74 5.391 9.801 4.723 1.00 5.87 H new ATOM 0 HH22 ARG A 74 5.401 11.328 5.610 1.00 5.87 H new ATOM 1161 N VAL A 75 7.317 9.741 1.494 1.00 1.57 N ATOM 1162 CA VAL A 75 5.877 9.585 1.788 1.00 2.14 C ATOM 1163 C VAL A 75 5.656 8.146 2.324 1.00 1.81 C ATOM 1164 O VAL A 75 6.609 7.392 2.515 1.00 2.43 O ATOM 1165 CB VAL A 75 5.000 9.942 0.542 1.00 2.84 C ATOM 1166 CG1 VAL A 75 3.483 9.947 0.823 1.00 3.56 C ATOM 1167 CG2 VAL A 75 5.325 11.341 -0.021 1.00 3.28 C ATOM 0 H VAL A 75 7.728 8.864 1.173 1.00 1.57 H new ATOM 0 HA VAL A 75 5.556 10.288 2.557 1.00 2.14 H new ATOM 0 HB VAL A 75 5.246 9.152 -0.168 1.00 2.84 H new ATOM 0 HG11 VAL A 75 2.945 10.203 -0.090 1.00 3.56 H new ATOM 0 HG12 VAL A 75 3.173 8.959 1.162 1.00 3.56 H new ATOM 0 HG13 VAL A 75 3.258 10.683 1.595 1.00 3.56 H new ATOM 0 HG21 VAL A 75 4.691 11.542 -0.884 1.00 3.28 H new ATOM 0 HG22 VAL A 75 5.143 12.093 0.746 1.00 3.28 H new ATOM 0 HG23 VAL A 75 6.372 11.377 -0.324 1.00 3.28 H new ATOM 1177 N GLU A 76 4.431 7.752 2.639 1.00 1.36 N ATOM 1178 CA GLU A 76 4.021 6.396 2.981 1.00 0.95 C ATOM 1179 C GLU A 76 2.594 6.187 2.476 1.00 0.86 C ATOM 1180 O GLU A 76 1.843 7.157 2.354 1.00 1.05 O ATOM 1181 CB GLU A 76 4.142 6.093 4.482 1.00 1.22 C ATOM 1182 CG GLU A 76 4.343 7.277 5.425 1.00 1.83 C ATOM 1183 CD GLU A 76 3.206 8.300 5.394 1.00 2.53 C ATOM 1184 OE1 GLU A 76 2.113 8.034 5.943 1.00 3.62 O ATOM 1185 OE2 GLU A 76 3.400 9.398 4.818 1.00 3.09 O ATOM 0 H GLU A 76 3.650 8.408 2.664 1.00 1.36 H new ATOM 0 HA GLU A 76 4.697 5.693 2.495 1.00 0.95 H new ATOM 0 HB2 GLU A 76 3.241 5.565 4.792 1.00 1.22 H new ATOM 0 HB3 GLU A 76 4.977 5.407 4.621 1.00 1.22 H new ATOM 0 HG2 GLU A 76 4.453 6.903 6.443 1.00 1.83 H new ATOM 0 HG3 GLU A 76 5.276 7.779 5.167 1.00 1.83 H new ATOM 1192 N LEU A 77 2.216 4.932 2.208 1.00 0.67 N ATOM 1193 CA LEU A 77 0.853 4.577 1.804 1.00 0.72 C ATOM 1194 C LEU A 77 -0.197 5.153 2.764 1.00 1.31 C ATOM 1195 O LEU A 77 -1.195 5.689 2.313 1.00 3.06 O ATOM 1196 CB LEU A 77 0.760 3.044 1.668 1.00 0.69 C ATOM 1197 CG LEU A 77 0.805 2.590 0.198 1.00 1.04 C ATOM 1198 CD1 LEU A 77 2.129 2.901 -0.515 1.00 0.82 C ATOM 1199 CD2 LEU A 77 0.546 1.088 0.100 1.00 1.64 C ATOM 0 H LEU A 77 2.848 4.134 2.266 1.00 0.67 H new ATOM 0 HA LEU A 77 0.632 5.026 0.836 1.00 0.72 H new ATOM 0 HB2 LEU A 77 1.581 2.581 2.215 1.00 0.69 H new ATOM 0 HB3 LEU A 77 -0.165 2.695 2.127 1.00 0.69 H new ATOM 0 HG LEU A 77 0.024 3.162 -0.304 1.00 1.04 H new ATOM 0 HD11 LEU A 77 2.079 2.549 -1.545 1.00 0.82 H new ATOM 0 HD12 LEU A 77 2.303 3.977 -0.507 1.00 0.82 H new ATOM 0 HD13 LEU A 77 2.947 2.398 0.001 1.00 0.82 H new ATOM 0 HD21 LEU A 77 0.581 0.780 -0.945 1.00 1.64 H new ATOM 0 HD22 LEU A 77 1.309 0.550 0.662 1.00 1.64 H new ATOM 0 HD23 LEU A 77 -0.437 0.861 0.513 1.00 1.64 H new ATOM 1211 N LYS A 78 0.101 5.142 4.067 1.00 0.90 N ATOM 1212 CA LYS A 78 -0.521 5.940 5.145 1.00 1.02 C ATOM 1213 C LYS A 78 -1.529 5.073 5.925 1.00 0.85 C ATOM 1214 O LYS A 78 -2.508 4.611 5.341 1.00 0.89 O ATOM 1215 CB LYS A 78 -1.138 7.255 4.613 1.00 1.65 C ATOM 1216 CG LYS A 78 -1.509 8.295 5.672 1.00 1.25 C ATOM 1217 CD LYS A 78 -1.679 9.704 5.068 1.00 1.98 C ATOM 1218 CE LYS A 78 -0.471 10.232 4.262 1.00 1.90 C ATOM 1219 NZ LYS A 78 0.786 10.186 5.042 1.00 2.33 N ATOM 0 H LYS A 78 0.835 4.534 4.429 1.00 0.90 H new ATOM 0 HA LYS A 78 0.257 6.250 5.843 1.00 1.02 H new ATOM 0 HB2 LYS A 78 -0.433 7.709 3.917 1.00 1.65 H new ATOM 0 HB3 LYS A 78 -2.034 7.009 4.044 1.00 1.65 H new ATOM 0 HG2 LYS A 78 -2.436 7.997 6.163 1.00 1.25 H new ATOM 0 HG3 LYS A 78 -0.736 8.321 6.440 1.00 1.25 H new ATOM 0 HD2 LYS A 78 -2.553 9.698 4.417 1.00 1.98 H new ATOM 0 HD3 LYS A 78 -1.888 10.404 5.877 1.00 1.98 H new ATOM 0 HE2 LYS A 78 -0.355 9.639 3.355 1.00 1.90 H new ATOM 0 HE3 LYS A 78 -0.665 11.258 3.950 1.00 1.90 H new ATOM 0 HZ1 LYS A 78 1.588 10.420 4.422 1.00 2.33 H new ATOM 0 HZ2 LYS A 78 0.737 10.875 5.820 1.00 2.33 H new ATOM 0 HZ3 LYS A 78 0.917 9.231 5.433 1.00 2.33 H new ATOM 1233 N PRO A 79 -1.327 4.841 7.239 1.00 1.22 N ATOM 1234 CA PRO A 79 -1.967 3.739 7.966 1.00 1.61 C ATOM 1235 C PRO A 79 -3.500 3.799 8.077 1.00 1.62 C ATOM 1236 O PRO A 79 -4.103 2.771 8.378 1.00 2.76 O ATOM 1237 CB PRO A 79 -1.288 3.699 9.341 1.00 2.15 C ATOM 1238 CG PRO A 79 -0.671 5.083 9.507 1.00 2.03 C ATOM 1239 CD PRO A 79 -0.308 5.459 8.076 1.00 1.75 C ATOM 0 HA PRO A 79 -1.825 2.820 7.397 1.00 1.61 H new ATOM 0 HB2 PRO A 79 -2.008 3.489 10.132 1.00 2.15 H new ATOM 0 HB3 PRO A 79 -0.528 2.919 9.385 1.00 2.15 H new ATOM 0 HG2 PRO A 79 -1.375 5.790 9.946 1.00 2.03 H new ATOM 0 HG3 PRO A 79 0.205 5.061 10.155 1.00 2.03 H new ATOM 0 HD2 PRO A 79 -0.297 6.541 7.946 1.00 1.75 H new ATOM 0 HD3 PRO A 79 0.686 5.096 7.815 1.00 1.75 H new ATOM 1247 N GLY A 80 -4.131 4.953 7.826 1.00 1.02 N ATOM 1248 CA GLY A 80 -5.592 5.097 7.688 1.00 1.48 C ATOM 1249 C GLY A 80 -6.072 5.528 6.293 1.00 1.76 C ATOM 1250 O GLY A 80 -7.245 5.844 6.141 1.00 2.75 O ATOM 0 H GLY A 80 -3.631 5.835 7.710 1.00 1.02 H new ATOM 0 HA2 GLY A 80 -6.061 4.146 7.940 1.00 1.48 H new ATOM 0 HA3 GLY A 80 -5.941 5.828 8.418 1.00 1.48 H new ATOM 1254 N GLY A 81 -5.171 5.591 5.305 1.00 1.23 N ATOM 1255 CA GLY A 81 -5.400 6.152 3.966 1.00 1.25 C ATOM 1256 C GLY A 81 -5.106 5.164 2.840 1.00 1.38 C ATOM 1257 O GLY A 81 -5.860 4.209 2.636 1.00 2.15 O ATOM 0 H GLY A 81 -4.221 5.237 5.421 1.00 1.23 H new ATOM 0 HA2 GLY A 81 -6.436 6.481 3.890 1.00 1.25 H new ATOM 0 HA3 GLY A 81 -4.774 7.035 3.838 1.00 1.25 H new ATOM 1261 N TYR A 82 -4.038 5.379 2.063 1.00 0.93 N ATOM 1262 CA TYR A 82 -3.775 4.504 0.917 1.00 0.98 C ATOM 1263 C TYR A 82 -3.273 3.139 1.354 1.00 0.99 C ATOM 1264 O TYR A 82 -2.619 2.955 2.379 1.00 1.08 O ATOM 1265 CB TYR A 82 -2.826 5.062 -0.157 1.00 1.13 C ATOM 1266 CG TYR A 82 -3.224 6.395 -0.713 1.00 1.02 C ATOM 1267 CD1 TYR A 82 -2.809 7.593 -0.102 1.00 1.62 C ATOM 1268 CD2 TYR A 82 -4.000 6.422 -1.876 1.00 2.11 C ATOM 1269 CE1 TYR A 82 -3.179 8.828 -0.666 1.00 1.68 C ATOM 1270 CE2 TYR A 82 -4.353 7.645 -2.447 1.00 2.01 C ATOM 1271 CZ TYR A 82 -3.947 8.859 -1.853 1.00 0.89 C ATOM 1272 OH TYR A 82 -4.301 10.043 -2.418 1.00 0.89 O ATOM 0 H TYR A 82 -3.360 6.129 2.201 1.00 0.93 H new ATOM 0 HA TYR A 82 -4.754 4.426 0.444 1.00 0.98 H new ATOM 0 HB2 TYR A 82 -1.826 5.145 0.269 1.00 1.13 H new ATOM 0 HB3 TYR A 82 -2.765 4.345 -0.976 1.00 1.13 H new ATOM 0 HD1 TYR A 82 -2.209 7.565 0.796 1.00 1.62 H new ATOM 0 HD2 TYR A 82 -4.325 5.498 -2.331 1.00 2.11 H new ATOM 0 HE1 TYR A 82 -2.877 9.751 -0.193 1.00 1.68 H new ATOM 0 HE2 TYR A 82 -4.942 7.663 -3.352 1.00 2.01 H new ATOM 0 HH TYR A 82 -4.826 9.875 -3.228 1.00 0.89 H new ATOM 1282 N HIS A 83 -3.641 2.157 0.548 1.00 0.92 N ATOM 1283 CA HIS A 83 -3.301 0.765 0.799 1.00 0.93 C ATOM 1284 C HIS A 83 -3.397 -0.063 -0.482 1.00 0.87 C ATOM 1285 O HIS A 83 -4.319 0.127 -1.282 1.00 0.97 O ATOM 1286 CB HIS A 83 -4.137 0.196 1.951 1.00 0.98 C ATOM 1287 CG HIS A 83 -5.614 0.209 1.709 1.00 0.92 C ATOM 1288 ND1 HIS A 83 -6.454 1.295 1.860 1.00 0.89 N ATOM 1289 CD2 HIS A 83 -6.346 -0.819 1.186 1.00 0.90 C ATOM 1290 CE1 HIS A 83 -7.659 0.934 1.397 1.00 0.84 C ATOM 1291 NE2 HIS A 83 -7.647 -0.352 1.015 1.00 0.86 N ATOM 0 H HIS A 83 -4.186 2.303 -0.302 1.00 0.92 H new ATOM 0 HA HIS A 83 -2.261 0.711 1.119 1.00 0.93 H new ATOM 0 HB2 HIS A 83 -3.821 -0.830 2.141 1.00 0.98 H new ATOM 0 HB3 HIS A 83 -3.924 0.767 2.855 1.00 0.98 H new ATOM 0 HD1 HIS A 83 -6.204 2.203 2.251 1.00 0.89 H new ATOM 0 HD2 HIS A 83 -5.984 -1.809 0.949 1.00 0.90 H new ATOM 0 HE1 HIS A 83 -8.518 1.586 1.340 1.00 0.84 H new ATOM 1299 N PHE A 84 -2.478 -1.013 -0.649 1.00 0.71 N ATOM 1300 CA PHE A 84 -2.618 -2.066 -1.641 1.00 0.72 C ATOM 1301 C PHE A 84 -3.559 -3.128 -1.072 1.00 0.85 C ATOM 1302 O PHE A 84 -3.192 -3.831 -0.134 1.00 1.25 O ATOM 1303 CB PHE A 84 -1.251 -2.671 -1.962 1.00 0.63 C ATOM 1304 CG PHE A 84 -0.390 -1.822 -2.873 1.00 0.59 C ATOM 1305 CD1 PHE A 84 -0.814 -1.565 -4.191 1.00 2.02 C ATOM 1306 CD2 PHE A 84 0.818 -1.274 -2.406 1.00 1.92 C ATOM 1307 CE1 PHE A 84 -0.042 -0.750 -5.031 1.00 2.07 C ATOM 1308 CE2 PHE A 84 1.569 -0.423 -3.235 1.00 1.89 C ATOM 1309 CZ PHE A 84 1.137 -0.160 -4.545 1.00 0.64 C ATOM 0 H PHE A 84 -1.620 -1.070 -0.100 1.00 0.71 H new ATOM 0 HA PHE A 84 -3.029 -1.665 -2.567 1.00 0.72 H new ATOM 0 HB2 PHE A 84 -0.714 -2.841 -1.029 1.00 0.63 H new ATOM 0 HB3 PHE A 84 -1.399 -3.646 -2.426 1.00 0.63 H new ATOM 0 HD1 PHE A 84 -1.735 -1.996 -4.555 1.00 2.02 H new ATOM 0 HD2 PHE A 84 1.168 -1.507 -1.411 1.00 1.92 H new ATOM 0 HE1 PHE A 84 -0.353 -0.576 -6.050 1.00 2.07 H new ATOM 0 HE2 PHE A 84 2.478 0.028 -2.865 1.00 1.89 H new ATOM 0 HZ PHE A 84 1.712 0.497 -5.180 1.00 0.64 H new ATOM 1319 N MET A 85 -4.749 -3.243 -1.651 1.00 0.58 N ATOM 1320 CA MET A 85 -5.787 -4.241 -1.363 1.00 0.50 C ATOM 1321 C MET A 85 -5.368 -5.560 -2.021 1.00 0.56 C ATOM 1322 O MET A 85 -5.157 -5.608 -3.232 1.00 0.64 O ATOM 1323 CB MET A 85 -7.134 -3.747 -1.890 1.00 0.45 C ATOM 1324 CG MET A 85 -8.322 -4.544 -1.320 1.00 0.73 C ATOM 1325 SD MET A 85 -9.261 -3.746 0.028 1.00 1.06 S ATOM 1326 CE MET A 85 -8.480 -4.555 1.448 1.00 0.83 C ATOM 0 H MET A 85 -5.040 -2.599 -2.386 1.00 0.58 H new ATOM 0 HA MET A 85 -5.896 -4.398 -0.290 1.00 0.50 H new ATOM 0 HB2 MET A 85 -7.254 -2.693 -1.638 1.00 0.45 H new ATOM 0 HB3 MET A 85 -7.142 -3.818 -2.978 1.00 0.45 H new ATOM 0 HG2 MET A 85 -9.012 -4.760 -2.136 1.00 0.73 H new ATOM 0 HG3 MET A 85 -7.949 -5.501 -0.956 1.00 0.73 H new ATOM 0 HE1 MET A 85 -8.841 -4.100 2.370 1.00 0.83 H new ATOM 0 HE2 MET A 85 -8.730 -5.616 1.445 1.00 0.83 H new ATOM 0 HE3 MET A 85 -7.398 -4.437 1.385 1.00 0.83 H new ATOM 1336 N LEU A 86 -5.217 -6.612 -1.218 1.00 0.61 N ATOM 1337 CA LEU A 86 -4.690 -7.915 -1.623 1.00 0.66 C ATOM 1338 C LEU A 86 -5.825 -8.937 -1.611 1.00 0.70 C ATOM 1339 O LEU A 86 -6.478 -9.115 -0.586 1.00 0.69 O ATOM 1340 CB LEU A 86 -3.574 -8.319 -0.643 1.00 0.62 C ATOM 1341 CG LEU A 86 -2.341 -7.396 -0.688 1.00 0.64 C ATOM 1342 CD1 LEU A 86 -1.432 -7.679 0.513 1.00 2.15 C ATOM 1343 CD2 LEU A 86 -1.552 -7.585 -1.982 1.00 2.21 C ATOM 0 H LEU A 86 -5.468 -6.579 -0.230 1.00 0.61 H new ATOM 0 HA LEU A 86 -4.276 -7.870 -2.630 1.00 0.66 H new ATOM 0 HB2 LEU A 86 -3.977 -8.322 0.370 1.00 0.62 H new ATOM 0 HB3 LEU A 86 -3.261 -9.339 -0.865 1.00 0.62 H new ATOM 0 HG LEU A 86 -2.693 -6.365 -0.649 1.00 0.64 H new ATOM 0 HD11 LEU A 86 -0.563 -7.023 0.474 1.00 2.15 H new ATOM 0 HD12 LEU A 86 -1.982 -7.498 1.436 1.00 2.15 H new ATOM 0 HD13 LEU A 86 -1.104 -8.718 0.484 1.00 2.15 H new ATOM 0 HD21 LEU A 86 -0.689 -6.920 -1.982 1.00 2.21 H new ATOM 0 HD22 LEU A 86 -1.213 -8.619 -2.054 1.00 2.21 H new ATOM 0 HD23 LEU A 86 -2.190 -7.352 -2.834 1.00 2.21 H new ATOM 1355 N LEU A 87 -6.079 -9.580 -2.753 1.00 0.81 N ATOM 1356 CA LEU A 87 -7.247 -10.432 -2.988 1.00 0.83 C ATOM 1357 C LEU A 87 -6.833 -11.884 -3.282 1.00 0.92 C ATOM 1358 O LEU A 87 -5.819 -12.159 -3.931 1.00 1.04 O ATOM 1359 CB LEU A 87 -8.068 -9.856 -4.164 1.00 0.89 C ATOM 1360 CG LEU A 87 -8.954 -8.612 -3.917 1.00 0.85 C ATOM 1361 CD1 LEU A 87 -10.061 -8.894 -2.893 1.00 2.19 C ATOM 1362 CD2 LEU A 87 -8.196 -7.352 -3.481 1.00 2.18 C ATOM 0 H LEU A 87 -5.461 -9.521 -3.562 1.00 0.81 H new ATOM 0 HA LEU A 87 -7.858 -10.444 -2.085 1.00 0.83 H new ATOM 0 HB2 LEU A 87 -7.370 -9.610 -4.964 1.00 0.89 H new ATOM 0 HB3 LEU A 87 -8.713 -10.652 -4.537 1.00 0.89 H new ATOM 0 HG LEU A 87 -9.382 -8.406 -4.898 1.00 0.85 H new ATOM 0 HD11 LEU A 87 -10.660 -7.995 -2.748 1.00 2.19 H new ATOM 0 HD12 LEU A 87 -10.698 -9.700 -3.258 1.00 2.19 H new ATOM 0 HD13 LEU A 87 -9.613 -9.188 -1.944 1.00 2.19 H new ATOM 0 HD21 LEU A 87 -8.903 -6.535 -3.333 1.00 2.18 H new ATOM 0 HD22 LEU A 87 -7.669 -7.549 -2.548 1.00 2.18 H new ATOM 0 HD23 LEU A 87 -7.477 -7.075 -4.252 1.00 2.18 H new ATOM 1374 N GLY A 88 -7.647 -12.821 -2.789 1.00 0.94 N ATOM 1375 CA GLY A 88 -7.554 -14.280 -2.989 1.00 1.15 C ATOM 1376 C GLY A 88 -6.543 -14.971 -2.068 1.00 1.42 C ATOM 1377 O GLY A 88 -6.844 -16.009 -1.490 1.00 2.93 O ATOM 0 H GLY A 88 -8.442 -12.571 -2.201 1.00 0.94 H new ATOM 0 HA2 GLY A 88 -8.537 -14.722 -2.829 1.00 1.15 H new ATOM 0 HA3 GLY A 88 -7.281 -14.478 -4.025 1.00 1.15 H new ATOM 1381 N LEU A 89 -5.374 -14.339 -1.922 1.00 0.54 N ATOM 1382 CA LEU A 89 -4.180 -14.746 -1.190 1.00 0.57 C ATOM 1383 C LEU A 89 -3.578 -16.103 -1.599 1.00 0.73 C ATOM 1384 O LEU A 89 -4.154 -16.892 -2.337 1.00 1.05 O ATOM 1385 CB LEU A 89 -4.419 -14.626 0.313 1.00 0.63 C ATOM 1386 CG LEU A 89 -5.041 -13.302 0.815 1.00 0.63 C ATOM 1387 CD1 LEU A 89 -5.071 -13.334 2.347 1.00 0.70 C ATOM 1388 CD2 LEU A 89 -4.286 -12.049 0.339 1.00 0.59 C ATOM 0 H LEU A 89 -5.231 -13.431 -2.364 1.00 0.54 H new ATOM 0 HA LEU A 89 -3.398 -14.045 -1.481 1.00 0.57 H new ATOM 0 HB2 LEU A 89 -5.069 -15.445 0.620 1.00 0.63 H new ATOM 0 HB3 LEU A 89 -3.465 -14.768 0.821 1.00 0.63 H new ATOM 0 HG LEU A 89 -6.044 -13.230 0.395 1.00 0.63 H new ATOM 0 HD11 LEU A 89 -5.507 -12.408 2.722 1.00 0.70 H new ATOM 0 HD12 LEU A 89 -5.672 -14.179 2.682 1.00 0.70 H new ATOM 0 HD13 LEU A 89 -4.055 -13.438 2.729 1.00 0.70 H new ATOM 0 HD21 LEU A 89 -4.778 -11.158 0.729 1.00 0.59 H new ATOM 0 HD22 LEU A 89 -3.258 -12.084 0.701 1.00 0.59 H new ATOM 0 HD23 LEU A 89 -4.286 -12.016 -0.751 1.00 0.59 H new ATOM 1400 N LYS A 90 -2.366 -16.354 -1.103 1.00 0.66 N ATOM 1401 CA LYS A 90 -1.626 -17.620 -1.228 1.00 0.73 C ATOM 1402 C LYS A 90 -1.217 -18.200 0.141 1.00 0.77 C ATOM 1403 O LYS A 90 -1.140 -19.408 0.330 1.00 0.81 O ATOM 1404 CB LYS A 90 -0.374 -17.387 -2.076 1.00 0.73 C ATOM 1405 CG LYS A 90 -0.570 -16.617 -3.398 1.00 0.76 C ATOM 1406 CD LYS A 90 -1.404 -17.402 -4.391 1.00 1.13 C ATOM 1407 CE LYS A 90 -1.443 -16.717 -5.764 1.00 1.18 C ATOM 1408 NZ LYS A 90 -2.155 -17.534 -6.775 1.00 1.76 N ATOM 0 H LYS A 90 -1.846 -15.651 -0.578 1.00 0.66 H new ATOM 0 HA LYS A 90 -2.287 -18.344 -1.704 1.00 0.73 H new ATOM 0 HB2 LYS A 90 0.352 -16.845 -1.470 1.00 0.73 H new ATOM 0 HB3 LYS A 90 0.066 -18.357 -2.308 1.00 0.73 H new ATOM 0 HG2 LYS A 90 -1.053 -15.662 -3.193 1.00 0.76 H new ATOM 0 HG3 LYS A 90 0.403 -16.395 -3.836 1.00 0.76 H new ATOM 0 HD2 LYS A 90 -0.995 -18.407 -4.497 1.00 1.13 H new ATOM 0 HD3 LYS A 90 -2.419 -17.510 -4.009 1.00 1.13 H new ATOM 0 HE2 LYS A 90 -1.933 -15.748 -5.671 1.00 1.18 H new ATOM 0 HE3 LYS A 90 -0.425 -16.528 -6.103 1.00 1.18 H new ATOM 0 HZ1 LYS A 90 -2.202 -17.012 -7.673 1.00 1.76 H new ATOM 0 HZ2 LYS A 90 -1.645 -18.428 -6.921 1.00 1.76 H new ATOM 0 HZ3 LYS A 90 -3.119 -17.736 -6.442 1.00 1.76 H new ATOM 1422 N ARG A 91 -0.981 -17.306 1.104 1.00 0.82 N ATOM 1423 CA ARG A 91 -0.849 -17.519 2.535 1.00 0.89 C ATOM 1424 C ARG A 91 -1.814 -16.545 3.243 1.00 0.96 C ATOM 1425 O ARG A 91 -1.992 -15.441 2.736 1.00 1.05 O ATOM 1426 CB ARG A 91 0.612 -17.343 2.942 1.00 1.11 C ATOM 1427 CG ARG A 91 1.364 -16.081 2.494 1.00 1.80 C ATOM 1428 CD ARG A 91 2.869 -16.226 2.784 1.00 2.83 C ATOM 1429 NE ARG A 91 3.242 -15.991 4.184 1.00 3.30 N ATOM 1430 CZ ARG A 91 4.429 -15.629 4.662 1.00 4.56 C ATOM 1431 NH1 ARG A 91 5.447 -15.206 3.950 1.00 5.76 N ATOM 1432 NH2 ARG A 91 4.626 -15.685 5.948 1.00 5.16 N ATOM 0 H ARG A 91 -0.867 -16.320 0.871 1.00 0.82 H new ATOM 0 HA ARG A 91 -1.122 -18.532 2.830 1.00 0.89 H new ATOM 0 HB2 ARG A 91 0.657 -17.384 4.030 1.00 1.11 H new ATOM 0 HB3 ARG A 91 1.164 -18.205 2.567 1.00 1.11 H new ATOM 0 HG2 ARG A 91 1.206 -15.914 1.428 1.00 1.80 H new ATOM 0 HG3 ARG A 91 0.968 -15.209 3.015 1.00 1.80 H new ATOM 0 HD2 ARG A 91 3.186 -17.229 2.500 1.00 2.83 H new ATOM 0 HD3 ARG A 91 3.417 -15.527 2.152 1.00 2.83 H new ATOM 0 HE ARG A 91 2.502 -16.121 4.873 1.00 3.30 H new ATOM 0 HH11 ARG A 91 5.365 -15.133 2.936 1.00 5.76 H new ATOM 0 HH12 ARG A 91 6.320 -14.951 4.411 1.00 5.76 H new ATOM 0 HH21 ARG A 91 3.878 -16.001 6.565 1.00 5.16 H new ATOM 0 HH22 ARG A 91 5.528 -15.412 6.338 1.00 5.16 H new ATOM 1446 N PRO A 92 -2.520 -16.931 4.321 1.00 1.05 N ATOM 1447 CA PRO A 92 -3.665 -16.180 4.847 1.00 1.34 C ATOM 1448 C PRO A 92 -3.262 -15.163 5.930 1.00 1.59 C ATOM 1449 O PRO A 92 -3.727 -15.255 7.065 1.00 2.79 O ATOM 1450 CB PRO A 92 -4.598 -17.276 5.364 1.00 1.66 C ATOM 1451 CG PRO A 92 -3.618 -18.306 5.930 1.00 1.35 C ATOM 1452 CD PRO A 92 -2.486 -18.262 4.904 1.00 1.13 C ATOM 0 HA PRO A 92 -4.142 -15.553 4.093 1.00 1.34 H new ATOM 0 HB2 PRO A 92 -5.279 -16.902 6.128 1.00 1.66 H new ATOM 0 HB3 PRO A 92 -5.212 -17.695 4.567 1.00 1.66 H new ATOM 0 HG2 PRO A 92 -3.274 -18.037 6.929 1.00 1.35 H new ATOM 0 HG3 PRO A 92 -4.065 -19.298 6.003 1.00 1.35 H new ATOM 0 HD2 PRO A 92 -1.523 -18.455 5.378 1.00 1.13 H new ATOM 0 HD3 PRO A 92 -2.624 -19.026 4.139 1.00 1.13 H new ATOM 1460 N LEU A 93 -2.384 -14.222 5.574 1.00 1.54 N ATOM 1461 CA LEU A 93 -1.508 -13.448 6.483 1.00 1.41 C ATOM 1462 C LEU A 93 -2.080 -13.116 7.873 1.00 1.56 C ATOM 1463 O LEU A 93 -2.923 -12.220 8.041 1.00 2.19 O ATOM 1464 CB LEU A 93 -0.992 -12.154 5.810 1.00 1.63 C ATOM 1465 CG LEU A 93 0.124 -12.257 4.757 1.00 2.07 C ATOM 1466 CD1 LEU A 93 1.203 -13.291 5.089 1.00 3.03 C ATOM 1467 CD2 LEU A 93 -0.434 -12.504 3.358 1.00 2.13 C ATOM 0 H LEU A 93 -2.251 -13.960 4.597 1.00 1.54 H new ATOM 0 HA LEU A 93 -0.687 -14.139 6.673 1.00 1.41 H new ATOM 0 HB2 LEU A 93 -1.845 -11.665 5.339 1.00 1.63 H new ATOM 0 HB3 LEU A 93 -0.640 -11.490 6.599 1.00 1.63 H new ATOM 0 HG LEU A 93 0.613 -11.283 4.776 1.00 2.07 H new ATOM 0 HD11 LEU A 93 1.952 -13.302 4.298 1.00 3.03 H new ATOM 0 HD12 LEU A 93 1.678 -13.030 6.035 1.00 3.03 H new ATOM 0 HD13 LEU A 93 0.748 -14.278 5.171 1.00 3.03 H new ATOM 0 HD21 LEU A 93 0.388 -12.570 2.645 1.00 2.13 H new ATOM 0 HD22 LEU A 93 -0.997 -13.437 3.350 1.00 2.13 H new ATOM 0 HD23 LEU A 93 -1.092 -11.681 3.078 1.00 2.13 H new ATOM 1479 N LYS A 94 -1.567 -13.819 8.879 1.00 1.41 N ATOM 1480 CA LYS A 94 -1.760 -13.557 10.303 1.00 1.49 C ATOM 1481 C LYS A 94 -0.539 -12.841 10.903 1.00 1.24 C ATOM 1482 O LYS A 94 0.522 -12.720 10.294 1.00 1.75 O ATOM 1483 CB LYS A 94 -2.035 -14.877 11.049 1.00 2.04 C ATOM 1484 CG LYS A 94 -3.148 -15.758 10.465 1.00 3.12 C ATOM 1485 CD LYS A 94 -4.494 -15.046 10.256 1.00 4.98 C ATOM 1486 CE LYS A 94 -5.536 -16.024 9.688 1.00 6.50 C ATOM 1487 NZ LYS A 94 -6.170 -15.484 8.465 1.00 8.13 N ATOM 0 H LYS A 94 -0.973 -14.631 8.714 1.00 1.41 H new ATOM 0 HA LYS A 94 -2.622 -12.900 10.419 1.00 1.49 H new ATOM 0 HB2 LYS A 94 -1.113 -15.458 11.072 1.00 2.04 H new ATOM 0 HB3 LYS A 94 -2.289 -14.642 12.082 1.00 2.04 H new ATOM 0 HG2 LYS A 94 -2.812 -16.156 9.508 1.00 3.12 H new ATOM 0 HG3 LYS A 94 -3.303 -16.609 11.128 1.00 3.12 H new ATOM 0 HD2 LYS A 94 -4.847 -14.638 11.203 1.00 4.98 H new ATOM 0 HD3 LYS A 94 -4.366 -14.205 9.574 1.00 4.98 H new ATOM 0 HE2 LYS A 94 -5.058 -16.977 9.462 1.00 6.50 H new ATOM 0 HE3 LYS A 94 -6.300 -16.221 10.440 1.00 6.50 H new ATOM 0 HZ1 LYS A 94 -6.892 -16.151 8.125 1.00 8.13 H new ATOM 0 HZ2 LYS A 94 -6.617 -14.570 8.680 1.00 8.13 H new ATOM 0 HZ3 LYS A 94 -5.447 -15.351 7.729 1.00 8.13 H new ATOM 1501 N ALA A 95 -0.703 -12.347 12.129 1.00 1.10 N ATOM 1502 CA ALA A 95 0.310 -11.574 12.837 1.00 1.07 C ATOM 1503 C ALA A 95 1.515 -12.454 13.191 1.00 1.20 C ATOM 1504 O ALA A 95 1.364 -13.568 13.689 1.00 1.34 O ATOM 1505 CB ALA A 95 -0.323 -10.906 14.064 1.00 1.11 C ATOM 0 H ALA A 95 -1.560 -12.476 12.666 1.00 1.10 H new ATOM 0 HA ALA A 95 0.691 -10.783 12.192 1.00 1.07 H new ATOM 0 HB1 ALA A 95 0.434 -10.328 14.594 1.00 1.11 H new ATOM 0 HB2 ALA A 95 -1.127 -10.244 13.743 1.00 1.11 H new ATOM 0 HB3 ALA A 95 -0.726 -11.671 14.728 1.00 1.11 H new ATOM 1511 N GLY A 96 2.699 -11.910 12.929 1.00 1.25 N ATOM 1512 CA GLY A 96 4.006 -12.562 13.077 1.00 1.43 C ATOM 1513 C GLY A 96 4.630 -13.035 11.759 1.00 1.34 C ATOM 1514 O GLY A 96 5.777 -13.468 11.779 1.00 1.52 O ATOM 0 H GLY A 96 2.783 -10.952 12.589 1.00 1.25 H new ATOM 0 HA2 GLY A 96 4.692 -11.867 13.561 1.00 1.43 H new ATOM 0 HA3 GLY A 96 3.898 -13.419 13.742 1.00 1.43 H new ATOM 1518 N GLU A 97 3.908 -12.942 10.638 1.00 1.33 N ATOM 1519 CA GLU A 97 4.425 -13.169 9.282 1.00 1.37 C ATOM 1520 C GLU A 97 5.130 -11.924 8.715 1.00 1.26 C ATOM 1521 O GLU A 97 5.232 -10.874 9.357 1.00 1.08 O ATOM 1522 CB GLU A 97 3.268 -13.596 8.355 1.00 1.39 C ATOM 1523 CG GLU A 97 2.734 -14.995 8.716 1.00 1.58 C ATOM 1524 CD GLU A 97 1.639 -15.544 7.794 1.00 1.99 C ATOM 1525 OE1 GLU A 97 1.976 -15.961 6.660 1.00 2.75 O ATOM 1526 OE2 GLU A 97 0.466 -15.608 8.220 1.00 2.93 O ATOM 0 H GLU A 97 2.917 -12.699 10.648 1.00 1.33 H new ATOM 0 HA GLU A 97 5.170 -13.963 9.335 1.00 1.37 H new ATOM 0 HB2 GLU A 97 2.459 -12.869 8.424 1.00 1.39 H new ATOM 0 HB3 GLU A 97 3.611 -13.593 7.320 1.00 1.39 H new ATOM 0 HG2 GLU A 97 3.570 -15.695 8.715 1.00 1.58 H new ATOM 0 HG3 GLU A 97 2.345 -14.964 9.734 1.00 1.58 H new ATOM 1533 N GLU A 98 5.540 -12.009 7.452 1.00 1.44 N ATOM 1534 CA GLU A 98 6.334 -11.068 6.699 1.00 1.23 C ATOM 1535 C GLU A 98 5.930 -11.208 5.227 1.00 1.28 C ATOM 1536 O GLU A 98 5.597 -12.284 4.739 1.00 1.66 O ATOM 1537 CB GLU A 98 7.845 -11.287 6.922 1.00 1.41 C ATOM 1538 CG GLU A 98 8.454 -12.559 6.308 1.00 3.05 C ATOM 1539 CD GLU A 98 7.855 -13.843 6.880 1.00 4.75 C ATOM 1540 OE1 GLU A 98 8.196 -14.183 8.029 1.00 5.06 O ATOM 1541 OE2 GLU A 98 7.032 -14.474 6.174 1.00 6.50 O ATOM 0 H GLU A 98 5.296 -12.820 6.884 1.00 1.44 H new ATOM 0 HA GLU A 98 6.144 -10.049 7.037 1.00 1.23 H new ATOM 0 HB2 GLU A 98 8.377 -10.425 6.519 1.00 1.41 H new ATOM 0 HB3 GLU A 98 8.032 -11.304 7.996 1.00 1.41 H new ATOM 0 HG2 GLU A 98 8.303 -12.543 5.229 1.00 3.05 H new ATOM 0 HG3 GLU A 98 9.531 -12.559 6.479 1.00 3.05 H new ATOM 1548 N VAL A 99 5.878 -10.088 4.534 1.00 1.02 N ATOM 1549 CA VAL A 99 5.296 -9.980 3.194 1.00 1.18 C ATOM 1550 C VAL A 99 6.097 -9.017 2.338 1.00 0.99 C ATOM 1551 O VAL A 99 6.279 -7.852 2.674 1.00 1.06 O ATOM 1552 CB VAL A 99 3.841 -9.489 3.231 1.00 1.38 C ATOM 1553 CG1 VAL A 99 3.157 -9.808 1.895 1.00 1.54 C ATOM 1554 CG2 VAL A 99 3.032 -10.076 4.398 1.00 1.74 C ATOM 0 H VAL A 99 6.245 -9.204 4.887 1.00 1.02 H new ATOM 0 HA VAL A 99 5.321 -10.983 2.767 1.00 1.18 H new ATOM 0 HB VAL A 99 3.871 -8.411 3.391 1.00 1.38 H new ATOM 0 HG11 VAL A 99 2.125 -9.459 1.922 1.00 1.54 H new ATOM 0 HG12 VAL A 99 3.688 -9.307 1.086 1.00 1.54 H new ATOM 0 HG13 VAL A 99 3.172 -10.885 1.727 1.00 1.54 H new ATOM 0 HG21 VAL A 99 2.014 -9.689 4.366 1.00 1.74 H new ATOM 0 HG22 VAL A 99 3.010 -11.163 4.315 1.00 1.74 H new ATOM 0 HG23 VAL A 99 3.498 -9.794 5.342 1.00 1.74 H new ATOM 1564 N GLU A 100 6.537 -9.519 1.201 1.00 0.84 N ATOM 1565 CA GLU A 100 7.350 -8.783 0.242 1.00 0.64 C ATOM 1566 C GLU A 100 6.485 -8.236 -0.892 1.00 0.68 C ATOM 1567 O GLU A 100 5.690 -8.965 -1.486 1.00 0.85 O ATOM 1568 CB GLU A 100 8.517 -9.652 -0.235 1.00 0.66 C ATOM 1569 CG GLU A 100 8.114 -10.939 -0.972 1.00 1.54 C ATOM 1570 CD GLU A 100 9.293 -11.900 -1.099 1.00 1.58 C ATOM 1571 OE1 GLU A 100 10.429 -11.399 -1.252 1.00 2.00 O ATOM 1572 OE2 GLU A 100 9.043 -13.119 -1.070 1.00 2.74 O ATOM 0 H GLU A 100 6.336 -10.475 0.907 1.00 0.84 H new ATOM 0 HA GLU A 100 7.792 -7.911 0.725 1.00 0.64 H new ATOM 0 HB2 GLU A 100 9.147 -9.056 -0.895 1.00 0.66 H new ATOM 0 HB3 GLU A 100 9.125 -9.922 0.628 1.00 0.66 H new ATOM 0 HG2 GLU A 100 7.300 -11.428 -0.436 1.00 1.54 H new ATOM 0 HG3 GLU A 100 7.737 -10.689 -1.964 1.00 1.54 H new ATOM 1579 N LEU A 101 6.632 -6.939 -1.172 1.00 0.66 N ATOM 1580 CA LEU A 101 5.932 -6.197 -2.220 1.00 0.64 C ATOM 1581 C LEU A 101 6.932 -5.626 -3.223 1.00 0.62 C ATOM 1582 O LEU A 101 7.947 -5.038 -2.850 1.00 0.69 O ATOM 1583 CB LEU A 101 5.119 -5.035 -1.611 1.00 0.67 C ATOM 1584 CG LEU A 101 3.670 -5.334 -1.186 1.00 0.78 C ATOM 1585 CD1 LEU A 101 2.715 -5.407 -2.382 1.00 2.37 C ATOM 1586 CD2 LEU A 101 3.506 -6.556 -0.274 1.00 2.52 C ATOM 0 H LEU A 101 7.276 -6.349 -0.646 1.00 0.66 H new ATOM 0 HA LEU A 101 5.256 -6.887 -2.726 1.00 0.64 H new ATOM 0 HB2 LEU A 101 5.658 -4.668 -0.738 1.00 0.67 H new ATOM 0 HB3 LEU A 101 5.097 -4.222 -2.337 1.00 0.67 H new ATOM 0 HG LEU A 101 3.391 -4.475 -0.576 1.00 0.78 H new ATOM 0 HD11 LEU A 101 1.706 -5.620 -2.029 1.00 2.37 H new ATOM 0 HD12 LEU A 101 2.721 -4.454 -2.911 1.00 2.37 H new ATOM 0 HD13 LEU A 101 3.038 -6.199 -3.058 1.00 2.37 H new ATOM 0 HD21 LEU A 101 2.452 -6.687 -0.028 1.00 2.52 H new ATOM 0 HD22 LEU A 101 3.872 -7.445 -0.788 1.00 2.52 H new ATOM 0 HD23 LEU A 101 4.077 -6.405 0.642 1.00 2.52 H new ATOM 1598 N ASP A 102 6.562 -5.736 -4.490 1.00 0.63 N ATOM 1599 CA ASP A 102 7.198 -5.122 -5.657 1.00 0.61 C ATOM 1600 C ASP A 102 6.433 -3.846 -6.025 1.00 0.66 C ATOM 1601 O ASP A 102 5.231 -3.910 -6.280 1.00 0.87 O ATOM 1602 CB ASP A 102 7.105 -6.076 -6.861 1.00 0.68 C ATOM 1603 CG ASP A 102 7.913 -7.367 -6.767 1.00 0.87 C ATOM 1604 OD1 ASP A 102 9.067 -7.318 -6.288 1.00 1.80 O ATOM 1605 OD2 ASP A 102 7.373 -8.390 -7.246 1.00 1.68 O ATOM 0 H ASP A 102 5.751 -6.296 -4.754 1.00 0.63 H new ATOM 0 HA ASP A 102 8.240 -4.905 -5.421 1.00 0.61 H new ATOM 0 HB2 ASP A 102 6.057 -6.338 -7.009 1.00 0.68 H new ATOM 0 HB3 ASP A 102 7.427 -5.535 -7.751 1.00 0.68 H new ATOM 1610 N LEU A 103 7.112 -2.701 -6.092 1.00 0.61 N ATOM 1611 CA LEU A 103 6.535 -1.409 -6.461 1.00 0.60 C ATOM 1612 C LEU A 103 6.726 -1.166 -7.963 1.00 0.59 C ATOM 1613 O LEU A 103 7.856 -1.020 -8.432 1.00 0.74 O ATOM 1614 CB LEU A 103 7.229 -0.294 -5.659 1.00 0.65 C ATOM 1615 CG LEU A 103 6.887 -0.201 -4.160 1.00 0.72 C ATOM 1616 CD1 LEU A 103 7.269 -1.441 -3.343 1.00 0.85 C ATOM 1617 CD2 LEU A 103 7.610 1.033 -3.605 1.00 0.99 C ATOM 0 H LEU A 103 8.109 -2.646 -5.885 1.00 0.61 H new ATOM 0 HA LEU A 103 5.469 -1.408 -6.235 1.00 0.60 H new ATOM 0 HB2 LEU A 103 8.307 -0.428 -5.754 1.00 0.65 H new ATOM 0 HB3 LEU A 103 6.984 0.661 -6.123 1.00 0.65 H new ATOM 0 HG LEU A 103 5.803 -0.127 -4.070 1.00 0.72 H new ATOM 0 HD11 LEU A 103 6.992 -1.289 -2.300 1.00 0.85 H new ATOM 0 HD12 LEU A 103 6.742 -2.311 -3.735 1.00 0.85 H new ATOM 0 HD13 LEU A 103 8.344 -1.606 -3.413 1.00 0.85 H new ATOM 0 HD21 LEU A 103 7.393 1.135 -2.542 1.00 0.99 H new ATOM 0 HD22 LEU A 103 8.685 0.919 -3.746 1.00 0.99 H new ATOM 0 HD23 LEU A 103 7.267 1.923 -4.132 1.00 0.99 H new ATOM 1629 N LEU A 104 5.628 -1.090 -8.720 1.00 0.51 N ATOM 1630 CA LEU A 104 5.665 -0.844 -10.159 1.00 0.51 C ATOM 1631 C LEU A 104 5.663 0.669 -10.413 1.00 0.49 C ATOM 1632 O LEU A 104 4.620 1.331 -10.336 1.00 0.61 O ATOM 1633 CB LEU A 104 4.495 -1.576 -10.850 1.00 0.55 C ATOM 1634 CG LEU A 104 4.446 -3.101 -10.607 1.00 0.61 C ATOM 1635 CD1 LEU A 104 3.235 -3.696 -11.340 1.00 0.76 C ATOM 1636 CD2 LEU A 104 5.724 -3.822 -11.064 1.00 0.72 C ATOM 0 H LEU A 104 4.685 -1.198 -8.347 1.00 0.51 H new ATOM 0 HA LEU A 104 6.581 -1.245 -10.593 1.00 0.51 H new ATOM 0 HB2 LEU A 104 3.558 -1.138 -10.506 1.00 0.55 H new ATOM 0 HB3 LEU A 104 4.556 -1.396 -11.923 1.00 0.55 H new ATOM 0 HG LEU A 104 4.360 -3.252 -9.531 1.00 0.61 H new ATOM 0 HD11 LEU A 104 3.199 -4.772 -11.169 1.00 0.76 H new ATOM 0 HD12 LEU A 104 2.320 -3.238 -10.963 1.00 0.76 H new ATOM 0 HD13 LEU A 104 3.325 -3.501 -12.409 1.00 0.76 H new ATOM 0 HD21 LEU A 104 5.629 -4.890 -10.867 1.00 0.72 H new ATOM 0 HD22 LEU A 104 5.870 -3.661 -12.132 1.00 0.72 H new ATOM 0 HD23 LEU A 104 6.580 -3.427 -10.517 1.00 0.72 H new ATOM 1648 N PHE A 105 6.836 1.226 -10.715 1.00 0.49 N ATOM 1649 CA PHE A 105 7.011 2.634 -11.055 1.00 0.52 C ATOM 1650 C PHE A 105 6.973 2.845 -12.581 1.00 0.53 C ATOM 1651 O PHE A 105 7.591 2.108 -13.351 1.00 0.71 O ATOM 1652 CB PHE A 105 8.326 3.153 -10.460 1.00 0.59 C ATOM 1653 CG PHE A 105 8.398 3.143 -8.944 1.00 0.59 C ATOM 1654 CD1 PHE A 105 7.709 4.122 -8.203 1.00 2.00 C ATOM 1655 CD2 PHE A 105 9.189 2.192 -8.270 1.00 1.66 C ATOM 1656 CE1 PHE A 105 7.841 4.176 -6.806 1.00 2.04 C ATOM 1657 CE2 PHE A 105 9.323 2.255 -6.874 1.00 1.64 C ATOM 1658 CZ PHE A 105 8.667 3.257 -6.143 1.00 0.71 C ATOM 0 H PHE A 105 7.708 0.698 -10.730 1.00 0.49 H new ATOM 0 HA PHE A 105 6.185 3.202 -10.627 1.00 0.52 H new ATOM 0 HB2 PHE A 105 9.146 2.550 -10.851 1.00 0.59 H new ATOM 0 HB3 PHE A 105 8.486 4.173 -10.809 1.00 0.59 H new ATOM 0 HD1 PHE A 105 7.076 4.835 -8.711 1.00 2.00 H new ATOM 0 HD2 PHE A 105 9.692 1.415 -8.827 1.00 1.66 H new ATOM 0 HE1 PHE A 105 7.306 4.926 -6.242 1.00 2.04 H new ATOM 0 HE2 PHE A 105 9.934 1.528 -6.360 1.00 1.64 H new ATOM 0 HZ PHE A 105 8.798 3.320 -5.073 1.00 0.71 H new ATOM 1668 N ALA A 106 6.269 3.894 -13.020 1.00 0.52 N ATOM 1669 CA ALA A 106 6.018 4.198 -14.429 1.00 0.56 C ATOM 1670 C ALA A 106 7.296 4.182 -15.299 1.00 1.30 C ATOM 1671 O ALA A 106 8.277 4.869 -15.006 1.00 2.04 O ATOM 1672 CB ALA A 106 5.282 5.542 -14.506 1.00 1.24 C ATOM 0 H ALA A 106 5.847 4.572 -12.386 1.00 0.52 H new ATOM 0 HA ALA A 106 5.396 3.408 -14.849 1.00 0.56 H new ATOM 0 HB1 ALA A 106 5.084 5.789 -15.549 1.00 1.24 H new ATOM 0 HB2 ALA A 106 4.339 5.472 -13.964 1.00 1.24 H new ATOM 0 HB3 ALA A 106 5.900 6.321 -14.059 1.00 1.24 H new ATOM 1678 N GLY A 107 7.273 3.393 -16.382 1.00 2.07 N ATOM 1679 CA GLY A 107 8.372 3.288 -17.353 1.00 2.99 C ATOM 1680 C GLY A 107 9.537 2.441 -16.843 1.00 2.65 C ATOM 1681 O GLY A 107 10.607 2.979 -16.555 1.00 3.71 O ATOM 0 H GLY A 107 6.476 2.799 -16.612 1.00 2.07 H new ATOM 0 HA2 GLY A 107 7.992 2.855 -18.278 1.00 2.99 H new ATOM 0 HA3 GLY A 107 8.734 4.287 -17.594 1.00 2.99 H new ATOM 1685 N GLY A 108 9.328 1.125 -16.739 1.00 1.54 N ATOM 1686 CA GLY A 108 10.396 0.120 -16.587 1.00 1.54 C ATOM 1687 C GLY A 108 11.126 0.097 -15.240 1.00 1.30 C ATOM 1688 O GLY A 108 12.105 -0.629 -15.099 1.00 1.61 O ATOM 0 H GLY A 108 8.394 0.716 -16.758 1.00 1.54 H new ATOM 0 HA2 GLY A 108 9.964 -0.866 -16.758 1.00 1.54 H new ATOM 0 HA3 GLY A 108 11.134 0.285 -17.372 1.00 1.54 H new ATOM 1692 N LYS A 109 10.696 0.879 -14.249 1.00 0.98 N ATOM 1693 CA LYS A 109 11.339 0.921 -12.932 1.00 0.96 C ATOM 1694 C LYS A 109 10.569 0.038 -11.949 1.00 0.87 C ATOM 1695 O LYS A 109 9.363 0.196 -11.787 1.00 0.86 O ATOM 1696 CB LYS A 109 11.438 2.379 -12.453 1.00 1.00 C ATOM 1697 CG LYS A 109 12.606 3.080 -13.161 1.00 1.27 C ATOM 1698 CD LYS A 109 12.629 4.607 -12.965 1.00 1.49 C ATOM 1699 CE LYS A 109 11.342 5.322 -13.411 1.00 2.68 C ATOM 1700 NZ LYS A 109 11.043 5.121 -14.851 1.00 3.52 N ATOM 0 H LYS A 109 9.893 1.501 -14.335 1.00 0.98 H new ATOM 0 HA LYS A 109 12.353 0.526 -12.997 1.00 0.96 H new ATOM 0 HB2 LYS A 109 10.506 2.904 -12.662 1.00 1.00 H new ATOM 0 HB3 LYS A 109 11.585 2.408 -11.373 1.00 1.00 H new ATOM 0 HG2 LYS A 109 13.544 2.662 -12.794 1.00 1.27 H new ATOM 0 HG3 LYS A 109 12.555 2.861 -14.228 1.00 1.27 H new ATOM 0 HD2 LYS A 109 12.805 4.824 -11.911 1.00 1.49 H new ATOM 0 HD3 LYS A 109 13.471 5.020 -13.520 1.00 1.49 H new ATOM 0 HE2 LYS A 109 10.504 4.958 -12.816 1.00 2.68 H new ATOM 0 HE3 LYS A 109 11.436 6.389 -13.209 1.00 2.68 H new ATOM 0 HZ1 LYS A 109 10.049 5.366 -15.037 1.00 3.52 H new ATOM 0 HZ2 LYS A 109 11.662 5.730 -15.423 1.00 3.52 H new ATOM 0 HZ3 LYS A 109 11.208 4.126 -15.104 1.00 3.52 H new ATOM 1714 N VAL A 110 11.273 -0.874 -11.288 1.00 0.96 N ATOM 1715 CA VAL A 110 10.702 -1.810 -10.300 1.00 0.85 C ATOM 1716 C VAL A 110 11.676 -1.956 -9.132 1.00 0.76 C ATOM 1717 O VAL A 110 12.889 -1.934 -9.347 1.00 0.84 O ATOM 1718 CB VAL A 110 10.376 -3.195 -10.925 1.00 0.92 C ATOM 1719 CG1 VAL A 110 9.725 -4.151 -9.906 1.00 1.69 C ATOM 1720 CG2 VAL A 110 9.431 -3.076 -12.135 1.00 2.20 C ATOM 0 H VAL A 110 12.277 -0.994 -11.420 1.00 0.96 H new ATOM 0 HA VAL A 110 9.757 -1.401 -9.944 1.00 0.85 H new ATOM 0 HB VAL A 110 11.336 -3.599 -11.247 1.00 0.92 H new ATOM 0 HG11 VAL A 110 9.515 -5.106 -10.386 1.00 1.69 H new ATOM 0 HG12 VAL A 110 10.405 -4.308 -9.069 1.00 1.69 H new ATOM 0 HG13 VAL A 110 8.795 -3.716 -9.541 1.00 1.69 H new ATOM 0 HG21 VAL A 110 9.231 -4.068 -12.539 1.00 2.20 H new ATOM 0 HG22 VAL A 110 8.494 -2.616 -11.821 1.00 2.20 H new ATOM 0 HG23 VAL A 110 9.898 -2.459 -12.902 1.00 2.20 H new ATOM 1730 N LEU A 111 11.145 -2.071 -7.912 1.00 0.68 N ATOM 1731 CA LEU A 111 11.905 -2.175 -6.663 1.00 0.66 C ATOM 1732 C LEU A 111 11.075 -2.948 -5.630 1.00 0.64 C ATOM 1733 O LEU A 111 9.882 -2.699 -5.495 1.00 0.87 O ATOM 1734 CB LEU A 111 12.273 -0.745 -6.215 1.00 0.81 C ATOM 1735 CG LEU A 111 13.052 -0.618 -4.885 1.00 1.01 C ATOM 1736 CD1 LEU A 111 13.926 0.645 -4.925 1.00 1.96 C ATOM 1737 CD2 LEU A 111 12.120 -0.513 -3.665 1.00 2.00 C ATOM 0 H LEU A 111 10.137 -2.095 -7.761 1.00 0.68 H new ATOM 0 HA LEU A 111 12.833 -2.733 -6.789 1.00 0.66 H new ATOM 0 HB2 LEU A 111 12.867 -0.282 -7.004 1.00 0.81 H new ATOM 0 HB3 LEU A 111 11.353 -0.167 -6.128 1.00 0.81 H new ATOM 0 HG LEU A 111 13.655 -1.520 -4.781 1.00 1.01 H new ATOM 0 HD11 LEU A 111 14.476 0.737 -3.988 1.00 1.96 H new ATOM 0 HD12 LEU A 111 14.630 0.574 -5.754 1.00 1.96 H new ATOM 0 HD13 LEU A 111 13.293 1.522 -5.061 1.00 1.96 H new ATOM 0 HD21 LEU A 111 12.717 -0.426 -2.757 1.00 2.00 H new ATOM 0 HD22 LEU A 111 11.485 0.367 -3.767 1.00 2.00 H new ATOM 0 HD23 LEU A 111 11.497 -1.405 -3.605 1.00 2.00 H new ATOM 1749 N LYS A 112 11.704 -3.881 -4.906 1.00 0.69 N ATOM 1750 CA LYS A 112 11.032 -4.705 -3.889 1.00 0.75 C ATOM 1751 C LYS A 112 11.320 -4.219 -2.453 1.00 0.83 C ATOM 1752 O LYS A 112 12.456 -3.866 -2.139 1.00 1.04 O ATOM 1753 CB LYS A 112 11.442 -6.177 -4.087 1.00 0.96 C ATOM 1754 CG LYS A 112 10.492 -7.148 -3.362 1.00 1.47 C ATOM 1755 CD LYS A 112 10.806 -8.617 -3.683 1.00 1.46 C ATOM 1756 CE LYS A 112 12.116 -9.107 -3.052 1.00 1.88 C ATOM 1757 NZ LYS A 112 11.988 -9.268 -1.585 1.00 3.24 N ATOM 0 H LYS A 112 12.698 -4.088 -5.008 1.00 0.69 H new ATOM 0 HA LYS A 112 9.954 -4.610 -4.020 1.00 0.75 H new ATOM 0 HB2 LYS A 112 11.453 -6.409 -5.152 1.00 0.96 H new ATOM 0 HB3 LYS A 112 12.458 -6.322 -3.719 1.00 0.96 H new ATOM 0 HG2 LYS A 112 10.565 -6.990 -2.286 1.00 1.47 H new ATOM 0 HG3 LYS A 112 9.463 -6.928 -3.647 1.00 1.47 H new ATOM 0 HD2 LYS A 112 9.985 -9.242 -3.332 1.00 1.46 H new ATOM 0 HD3 LYS A 112 10.862 -8.742 -4.764 1.00 1.46 H new ATOM 0 HE2 LYS A 112 12.402 -10.059 -3.499 1.00 1.88 H new ATOM 0 HE3 LYS A 112 12.914 -8.398 -3.273 1.00 1.88 H new ATOM 0 HZ1 LYS A 112 12.803 -9.802 -1.222 1.00 3.24 H new ATOM 0 HZ2 LYS A 112 11.959 -8.331 -1.134 1.00 3.24 H new ATOM 0 HZ3 LYS A 112 11.112 -9.784 -1.368 1.00 3.24 H new ATOM 1771 N VAL A 113 10.305 -4.248 -1.587 1.00 0.79 N ATOM 1772 CA VAL A 113 10.353 -3.922 -0.140 1.00 0.91 C ATOM 1773 C VAL A 113 9.729 -5.092 0.640 1.00 0.83 C ATOM 1774 O VAL A 113 9.012 -5.898 0.050 1.00 0.80 O ATOM 1775 CB VAL A 113 9.569 -2.620 0.180 1.00 1.09 C ATOM 1776 CG1 VAL A 113 9.849 -2.008 1.556 1.00 1.76 C ATOM 1777 CG2 VAL A 113 9.828 -1.489 -0.836 1.00 1.76 C ATOM 0 H VAL A 113 9.366 -4.514 -1.884 1.00 0.79 H new ATOM 0 HA VAL A 113 11.392 -3.766 0.149 1.00 0.91 H new ATOM 0 HB VAL A 113 8.539 -2.975 0.140 1.00 1.09 H new ATOM 0 HG11 VAL A 113 9.253 -1.104 1.680 1.00 1.76 H new ATOM 0 HG12 VAL A 113 9.587 -2.725 2.334 1.00 1.76 H new ATOM 0 HG13 VAL A 113 10.907 -1.758 1.635 1.00 1.76 H new ATOM 0 HG21 VAL A 113 9.251 -0.608 -0.555 1.00 1.76 H new ATOM 0 HG22 VAL A 113 10.889 -1.241 -0.841 1.00 1.76 H new ATOM 0 HG23 VAL A 113 9.527 -1.818 -1.831 1.00 1.76 H new ATOM 1787 N VAL A 114 9.972 -5.186 1.945 1.00 0.94 N ATOM 1788 CA VAL A 114 9.476 -6.258 2.833 1.00 0.90 C ATOM 1789 C VAL A 114 8.783 -5.657 4.063 1.00 0.89 C ATOM 1790 O VAL A 114 9.181 -4.622 4.582 1.00 1.05 O ATOM 1791 CB VAL A 114 10.607 -7.232 3.248 1.00 1.05 C ATOM 1792 CG1 VAL A 114 10.040 -8.440 4.021 1.00 1.95 C ATOM 1793 CG2 VAL A 114 11.364 -7.770 2.017 1.00 1.87 C ATOM 0 H VAL A 114 10.539 -4.498 2.440 1.00 0.94 H new ATOM 0 HA VAL A 114 8.744 -6.841 2.274 1.00 0.90 H new ATOM 0 HB VAL A 114 11.289 -6.666 3.883 1.00 1.05 H new ATOM 0 HG11 VAL A 114 10.855 -9.108 4.300 1.00 1.95 H new ATOM 0 HG12 VAL A 114 9.532 -8.091 4.920 1.00 1.95 H new ATOM 0 HG13 VAL A 114 9.332 -8.976 3.389 1.00 1.95 H new ATOM 0 HG21 VAL A 114 12.151 -8.450 2.342 1.00 1.87 H new ATOM 0 HG22 VAL A 114 10.670 -8.303 1.367 1.00 1.87 H new ATOM 0 HG23 VAL A 114 11.807 -6.938 1.470 1.00 1.87 H new ATOM 1803 N LEU A 115 7.684 -6.280 4.497 1.00 0.86 N ATOM 1804 CA LEU A 115 6.715 -5.706 5.436 1.00 0.98 C ATOM 1805 C LEU A 115 6.315 -6.763 6.488 1.00 0.84 C ATOM 1806 O LEU A 115 5.841 -7.826 6.082 1.00 0.89 O ATOM 1807 CB LEU A 115 5.458 -5.270 4.644 1.00 1.25 C ATOM 1808 CG LEU A 115 5.643 -4.521 3.304 1.00 1.14 C ATOM 1809 CD1 LEU A 115 4.273 -4.365 2.628 1.00 2.26 C ATOM 1810 CD2 LEU A 115 6.285 -3.136 3.452 1.00 1.94 C ATOM 0 H LEU A 115 7.437 -7.223 4.197 1.00 0.86 H new ATOM 0 HA LEU A 115 7.157 -4.849 5.944 1.00 0.98 H new ATOM 0 HB2 LEU A 115 4.868 -6.164 4.443 1.00 1.25 H new ATOM 0 HB3 LEU A 115 4.861 -4.634 5.297 1.00 1.25 H new ATOM 0 HG LEU A 115 6.326 -5.120 2.702 1.00 1.14 H new ATOM 0 HD11 LEU A 115 4.392 -3.838 1.682 1.00 2.26 H new ATOM 0 HD12 LEU A 115 3.844 -5.350 2.443 1.00 2.26 H new ATOM 0 HD13 LEU A 115 3.609 -3.796 3.279 1.00 2.26 H new ATOM 0 HD21 LEU A 115 6.382 -2.673 2.470 1.00 1.94 H new ATOM 0 HD22 LEU A 115 5.658 -2.511 4.088 1.00 1.94 H new ATOM 0 HD23 LEU A 115 7.272 -3.239 3.904 1.00 1.94 H new ATOM 1822 N PRO A 116 6.443 -6.526 7.807 1.00 0.75 N ATOM 1823 CA PRO A 116 5.946 -7.461 8.815 1.00 0.75 C ATOM 1824 C PRO A 116 4.414 -7.415 8.872 1.00 0.72 C ATOM 1825 O PRO A 116 3.817 -6.359 8.641 1.00 0.86 O ATOM 1826 CB PRO A 116 6.586 -7.014 10.133 1.00 0.88 C ATOM 1827 CG PRO A 116 6.779 -5.509 9.937 1.00 0.84 C ATOM 1828 CD PRO A 116 7.073 -5.377 8.444 1.00 0.81 C ATOM 0 HA PRO A 116 6.205 -8.496 8.591 1.00 0.75 H new ATOM 0 HB2 PRO A 116 5.943 -7.229 10.986 1.00 0.88 H new ATOM 0 HB3 PRO A 116 7.534 -7.521 10.312 1.00 0.88 H new ATOM 0 HG2 PRO A 116 5.887 -4.950 10.221 1.00 0.84 H new ATOM 0 HG3 PRO A 116 7.601 -5.128 10.543 1.00 0.84 H new ATOM 0 HD2 PRO A 116 6.672 -4.444 8.049 1.00 0.81 H new ATOM 0 HD3 PRO A 116 8.147 -5.368 8.257 1.00 0.81 H new ATOM 1836 N VAL A 117 3.771 -8.539 9.213 1.00 0.76 N ATOM 1837 CA VAL A 117 2.344 -8.569 9.557 1.00 0.76 C ATOM 1838 C VAL A 117 2.195 -8.370 11.065 1.00 0.85 C ATOM 1839 O VAL A 117 2.647 -9.197 11.860 1.00 0.93 O ATOM 1840 CB VAL A 117 1.646 -9.873 9.120 1.00 0.82 C ATOM 1841 CG1 VAL A 117 0.120 -9.743 9.296 1.00 0.90 C ATOM 1842 CG2 VAL A 117 1.930 -10.204 7.649 1.00 0.91 C ATOM 0 H VAL A 117 4.224 -9.452 9.258 1.00 0.76 H new ATOM 0 HA VAL A 117 1.854 -7.762 9.012 1.00 0.76 H new ATOM 0 HB VAL A 117 2.040 -10.672 9.748 1.00 0.82 H new ATOM 0 HG11 VAL A 117 -0.362 -10.669 8.984 1.00 0.90 H new ATOM 0 HG12 VAL A 117 -0.110 -9.549 10.344 1.00 0.90 H new ATOM 0 HG13 VAL A 117 -0.248 -8.919 8.685 1.00 0.90 H new ATOM 0 HG21 VAL A 117 1.421 -11.129 7.379 1.00 0.91 H new ATOM 0 HG22 VAL A 117 1.568 -9.393 7.017 1.00 0.91 H new ATOM 0 HG23 VAL A 117 3.004 -10.325 7.504 1.00 0.91 H new ATOM 1852 N GLU A 118 1.537 -7.283 11.458 1.00 1.03 N ATOM 1853 CA GLU A 118 1.210 -6.977 12.847 1.00 1.19 C ATOM 1854 C GLU A 118 -0.221 -6.445 12.892 1.00 1.32 C ATOM 1855 O GLU A 118 -0.534 -5.458 12.230 1.00 2.07 O ATOM 1856 CB GLU A 118 2.175 -5.930 13.435 1.00 1.64 C ATOM 1857 CG GLU A 118 3.605 -6.440 13.670 1.00 2.39 C ATOM 1858 CD GLU A 118 4.365 -5.472 14.577 1.00 3.10 C ATOM 1859 OE1 GLU A 118 3.994 -5.349 15.763 1.00 3.59 O ATOM 1860 OE2 GLU A 118 5.243 -4.718 14.108 1.00 4.04 O ATOM 0 H GLU A 118 1.208 -6.573 10.803 1.00 1.03 H new ATOM 0 HA GLU A 118 1.306 -7.883 13.446 1.00 1.19 H new ATOM 0 HB2 GLU A 118 2.215 -5.073 12.762 1.00 1.64 H new ATOM 0 HB3 GLU A 118 1.770 -5.573 14.382 1.00 1.64 H new ATOM 0 HG2 GLU A 118 3.576 -7.430 14.125 1.00 2.39 H new ATOM 0 HG3 GLU A 118 4.124 -6.542 12.717 1.00 2.39 H new