USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 781 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: B 107 THR OG1 : rot 117:sc= 0.591 USER MOD Set 1.2: B 109 THR OG1 : rot 180:sc= 0.505 USER MOD Set 2.1: A 25 MET CE :methyl -178:sc= -7.03! (180deg=-7.08!) USER MOD Set 2.2: B 149 GLN : amide:sc= 0.102 X(o=-6.9,f=-7.1) USER MOD Set 3.1: A 6 MET CE :methyl 158:sc= -1.13 (180deg=-1.85!) USER MOD Set 3.2: A 15 MET CE :methyl -137:sc= -14.3! (180deg=-18.1!) USER MOD Set 4.1: A 13 THR OG1 : rot -76:sc= 1.09 USER MOD Set 4.2: B 168 HIS :FLIP no HE2:sc= 0.00866 F(o=0.36,f=1.1) USER MOD Set 5.1: A 9 CYS SG : rot 128:sc= 0.585 USER MOD Set 5.2: A 10 GLN : amide:sc= -0.859 K(o=-19,f=-23!) USER MOD Set 5.3: A 11 HIS :FLIP no HD1:sc= -8.6! C(o=-21!,f=-19!) USER MOD Set 5.4: A 12 CYS SG : rot -59:sc= -1.77 USER MOD Set 5.5: A 16 ASN :FLIP amide:sc= -6.93! C(o=-19!,f=-19!) USER MOD Set 5.6: A 23 CYS SG : rot 119:sc= 0.298! USER MOD Set 5.7: A 26 CYS SG : rot -56:sc= -1.79! USER MOD Single : A 17 GLN :FLIP amide:sc= -0.0108 F(o=-1.5,f=-0.011) USER MOD Single : A 20 THR OG1 : rot 80:sc= -0.589 USER MOD Single : A 22 HIS : no HD1:sc= -4.27 K(o=-4.3,f=-5.9!) USER MOD Single : A 27 SER OG : rot -48:sc= 0.161 USER MOD Single : A 31 THR OG1 : rot -42:sc= 0.976 USER MOD Single : B 101 MET CE :methyl -166:sc= -0.897 (180deg=-1.32) USER MOD Single : B 102 GLN : amide:sc=-0.000198 X(o=-0.0002,f=0) USER MOD Single : B 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 112 THR OG1 : rot 180:sc= 0 USER MOD Single : B 114 THR OG1 : rot -96:sc= 0.712 USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 122 THR OG1 : rot -171:sc= -1 USER MOD Single : B 125 ASN : amide:sc= -0.204 X(o=-0.2,f=-0.00068) USER MOD Single : B 127 LYS NZ :NH3+ -163:sc= 1.12 (180deg=0.902) USER MOD Single : B 129 LYS NZ :NH3+ 156:sc= -0.119 (180deg=-0.561) USER MOD Single : B 131 GLN : amide:sc= -0.957 K(o=-0.96,f=-3.6!) USER MOD Single : B 133 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0415) USER MOD Single : B 140 GLN :FLIP amide:sc= -0.0763 F(o=-1.2,f=-0.076) USER MOD Single : B 141 GLN : amide:sc= -7.71! C(o=-7.7!,f=-11!) USER MOD Single : B 148 LYS NZ :NH3+ -174:sc= 1.5 (180deg=1.38) USER MOD Single : B 155 THR OG1 : rot 180:sc= -0.977 USER MOD Single : B 157 SER OG : rot 180:sc= 0 USER MOD Single : B 159 TYR OH : rot 132:sc= 0.346 USER MOD Single : B 160 ASN : amide:sc= -0.57 X(o=-0.57,f=-0.71) USER MOD Single : B 162 GLN : amide:sc=-0.00834 X(o=-0.0083,f=-0.11) USER MOD Single : B 163 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0372) USER MOD Single : B 165 SER OG : rot 120:sc= -0.754 USER MOD Single : B 166 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 56 N MET A 6 0.535 -15.290 10.390 1.00 0.00 N ATOM 57 CA MET A 6 -0.067 -14.310 9.503 1.00 0.00 C ATOM 58 C MET A 6 -0.388 -14.940 8.154 1.00 0.00 C ATOM 59 O MET A 6 0.005 -16.080 7.891 1.00 0.00 O ATOM 60 CB MET A 6 0.873 -13.120 9.303 1.00 0.00 C ATOM 61 CG MET A 6 1.790 -12.820 10.484 1.00 0.00 C ATOM 62 SD MET A 6 3.539 -12.840 10.031 1.00 0.00 S ATOM 63 CE MET A 6 3.488 -12.050 8.419 1.00 0.00 C ATOM 0 HA MET A 6 -0.992 -13.959 9.961 1.00 0.00 H new ATOM 0 HB2 MET A 6 1.488 -13.306 8.422 1.00 0.00 H new ATOM 0 HB3 MET A 6 0.274 -12.234 9.093 1.00 0.00 H new ATOM 0 HG2 MET A 6 1.537 -11.843 10.896 1.00 0.00 H new ATOM 0 HG3 MET A 6 1.614 -13.554 11.271 1.00 0.00 H new ATOM 0 HE1 MET A 6 4.470 -11.639 8.184 1.00 0.00 H new ATOM 0 HE2 MET A 6 3.211 -12.784 7.663 1.00 0.00 H new ATOM 0 HE3 MET A 6 2.752 -11.246 8.431 1.00 0.00 H new ATOM 73 N TRP A 7 -1.083 -14.200 7.285 1.00 0.00 N ATOM 74 CA TRP A 7 -1.407 -14.730 5.965 1.00 0.00 C ATOM 75 C TRP A 7 -1.360 -13.650 4.905 1.00 0.00 C ATOM 76 O TRP A 7 -2.091 -12.660 4.958 1.00 0.00 O ATOM 77 CB TRP A 7 -2.764 -15.430 5.940 1.00 0.00 C ATOM 78 CG TRP A 7 -3.935 -14.570 6.307 1.00 0.00 C ATOM 79 CD1 TRP A 7 -4.452 -14.370 7.558 1.00 0.00 C ATOM 80 CD2 TRP A 7 -4.751 -13.800 5.408 1.00 0.00 C ATOM 81 NE1 TRP A 7 -5.538 -13.520 7.484 1.00 0.00 N ATOM 82 CE2 TRP A 7 -5.733 -13.150 6.184 1.00 0.00 C ATOM 83 CE3 TRP A 7 -4.746 -13.580 4.025 1.00 0.00 C ATOM 84 CZ2 TRP A 7 -6.693 -12.310 5.632 1.00 0.00 C ATOM 85 CZ3 TRP A 7 -5.705 -12.750 3.475 1.00 0.00 C ATOM 86 CH2 TRP A 7 -6.666 -12.120 4.278 1.00 0.00 C ATOM 0 H TRP A 7 -1.423 -13.256 7.468 1.00 0.00 H new ATOM 0 HA TRP A 7 -0.643 -15.474 5.739 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -2.929 -15.832 4.940 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -2.729 -16.279 6.623 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -4.069 -14.811 8.466 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -6.105 -13.216 8.276 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -4.004 -14.052 3.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -7.434 -11.825 6.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -5.714 -12.584 2.408 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -7.399 -11.473 3.819 1.00 0.00 H new ATOM 97 N ALA A 8 -0.489 -13.870 3.939 1.00 0.00 N ATOM 98 CA ALA A 8 -0.315 -12.940 2.832 1.00 0.00 C ATOM 99 C ALA A 8 -1.552 -12.930 1.946 1.00 0.00 C ATOM 100 O ALA A 8 -1.962 -13.960 1.417 1.00 0.00 O ATOM 101 CB ALA A 8 0.918 -13.310 2.020 1.00 0.00 C ATOM 0 H ALA A 8 0.115 -14.691 3.896 1.00 0.00 H new ATOM 0 HA ALA A 8 -0.175 -11.939 3.239 1.00 0.00 H new ATOM 0 HB1 ALA A 8 1.036 -12.606 1.196 1.00 0.00 H new ATOM 0 HB2 ALA A 8 1.800 -13.271 2.659 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.803 -14.318 1.622 1.00 0.00 H new ATOM 107 N CYS A 9 -2.147 -11.750 1.791 1.00 0.00 N ATOM 108 CA CYS A 9 -3.344 -11.600 0.973 1.00 0.00 C ATOM 109 C CYS A 9 -3.176 -12.280 -0.383 1.00 0.00 C ATOM 110 O CYS A 9 -2.055 -12.490 -0.844 1.00 0.00 O ATOM 111 CB CYS A 9 -3.664 -10.120 0.763 1.00 0.00 C ATOM 112 SG CYS A 9 -5.383 -9.810 0.309 1.00 0.00 S ATOM 0 H CYS A 9 -1.819 -10.885 2.221 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.167 -12.079 1.503 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -3.434 -9.574 1.678 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -3.014 -9.723 -0.017 1.00 0.00 H new ATOM 0 HG CYS A 9 -5.889 -8.920 1.110 1.00 0.00 H new ATOM 117 N GLN A 10 -4.294 -12.610 -1.016 1.00 0.00 N ATOM 118 CA GLN A 10 -4.267 -13.260 -2.319 1.00 0.00 C ATOM 119 C GLN A 10 -4.772 -12.340 -3.425 1.00 0.00 C ATOM 120 O GLN A 10 -4.991 -12.770 -4.555 1.00 0.00 O ATOM 121 CB GLN A 10 -5.112 -14.540 -2.285 1.00 0.00 C ATOM 122 CG GLN A 10 -6.560 -14.300 -1.893 1.00 0.00 C ATOM 123 CD GLN A 10 -6.764 -14.290 -0.390 1.00 0.00 C ATOM 124 OE1 GLN A 10 -6.512 -15.290 0.287 1.00 0.00 O ATOM 125 NE2 GLN A 10 -7.225 -13.160 0.138 1.00 0.00 N ATOM 0 H GLN A 10 -5.230 -12.438 -0.649 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.229 -13.508 -2.540 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.083 -15.011 -3.268 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.665 -15.242 -1.581 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -6.892 -13.348 -2.307 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -7.186 -15.075 -2.336 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -7.419 -12.359 -0.462 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -7.384 -13.095 1.143 1.00 0.00 H new ATOM 134 N HIS A 11 -4.959 -11.060 -3.100 1.00 0.00 N ATOM 135 CA HIS A 11 -5.441 -10.090 -4.079 1.00 0.00 C ATOM 136 C HIS A 11 -4.583 -8.829 -4.084 1.00 0.00 C ATOM 137 O HIS A 11 -4.078 -8.415 -5.128 1.00 0.00 O ATOM 138 CB HIS A 11 -6.894 -9.717 -3.787 1.00 0.00 C ATOM 139 CG HIS A 11 -7.761 -10.880 -3.446 1.00 0.00 C ATOM 140 ND1 HIS A 11 -8.465 -11.150 -2.328 1.00 0.00 N flip ATOM 141 CD2 HIS A 11 -7.988 -11.930 -4.305 1.00 0.00 C flip ATOM 142 CE1 HIS A 11 -9.103 -12.350 -2.524 1.00 0.00 C flip ATOM 143 NE2 HIS A 11 -8.800 -12.800 -3.726 1.00 0.00 N flip ATOM 0 H HIS A 11 -4.785 -10.674 -2.172 1.00 0.00 H new ATOM 0 HA HIS A 11 -5.374 -10.556 -5.062 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -6.917 -9.005 -2.962 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -7.310 -9.209 -4.657 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -7.570 -12.029 -5.296 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -9.747 -12.844 -1.811 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -9.135 -13.670 -4.139 1.00 0.00 H new ATOM 152 N CYS A 12 -4.429 -8.215 -2.914 1.00 0.00 N ATOM 153 CA CYS A 12 -3.640 -6.994 -2.791 1.00 0.00 C ATOM 154 C CYS A 12 -2.217 -7.299 -2.315 1.00 0.00 C ATOM 155 O CYS A 12 -1.342 -6.435 -2.357 1.00 0.00 O ATOM 156 CB CYS A 12 -4.343 -6.005 -1.852 1.00 0.00 C ATOM 157 SG CYS A 12 -4.064 -6.293 -0.090 1.00 0.00 S ATOM 0 H CYS A 12 -4.839 -8.543 -2.040 1.00 0.00 H new ATOM 0 HA CYS A 12 -3.558 -6.534 -3.776 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -4.011 -4.996 -2.097 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -5.415 -6.043 -2.046 1.00 0.00 H new ATOM 0 HG CYS A 12 -4.473 -7.486 0.225 1.00 0.00 H new ATOM 162 N THR A 13 -1.996 -8.539 -1.884 1.00 0.00 N ATOM 163 CA THR A 13 -0.683 -8.986 -1.421 1.00 0.00 C ATOM 164 C THR A 13 -0.315 -8.401 -0.058 1.00 0.00 C ATOM 165 O THR A 13 0.864 -8.302 0.281 1.00 0.00 O ATOM 166 CB THR A 13 0.405 -8.640 -2.446 1.00 0.00 C ATOM 167 OG1 THR A 13 0.914 -7.337 -2.224 1.00 0.00 O ATOM 168 CG2 THR A 13 -0.074 -8.706 -3.881 1.00 0.00 C ATOM 0 H THR A 13 -2.717 -9.259 -1.846 1.00 0.00 H new ATOM 0 HA THR A 13 -0.745 -10.069 -1.311 1.00 0.00 H new ATOM 0 HB THR A 13 1.178 -9.395 -2.303 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.268 -6.674 -2.547 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.747 -8.450 -4.551 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.421 -9.715 -4.103 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.893 -8.001 -4.024 1.00 0.00 H new ATOM 176 N PHE A 14 -1.319 -8.027 0.728 1.00 0.00 N ATOM 177 CA PHE A 14 -1.073 -7.471 2.055 1.00 0.00 C ATOM 178 C PHE A 14 -0.979 -8.579 3.095 1.00 0.00 C ATOM 179 O PHE A 14 -1.683 -9.583 3.014 1.00 0.00 O ATOM 180 CB PHE A 14 -2.179 -6.489 2.449 1.00 0.00 C ATOM 181 CG PHE A 14 -2.115 -6.068 3.892 1.00 0.00 C ATOM 182 CD1 PHE A 14 -1.067 -5.291 4.356 1.00 0.00 C ATOM 183 CD2 PHE A 14 -3.102 -6.457 4.784 1.00 0.00 C ATOM 184 CE1 PHE A 14 -1.004 -4.908 5.682 1.00 0.00 C ATOM 185 CE2 PHE A 14 -3.044 -6.078 6.111 1.00 0.00 C ATOM 186 CZ PHE A 14 -1.994 -5.302 6.561 1.00 0.00 C ATOM 0 H PHE A 14 -2.304 -8.098 0.473 1.00 0.00 H new ATOM 0 HA PHE A 14 -0.124 -6.936 2.019 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -2.112 -5.604 1.816 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.149 -6.947 2.254 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.290 -4.981 3.673 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.926 -7.063 4.438 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.182 -4.301 6.031 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.819 -6.388 6.796 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.947 -5.004 7.598 1.00 0.00 H new ATOM 196 N MET A 15 -0.114 -8.380 4.077 1.00 0.00 N ATOM 197 CA MET A 15 0.071 -9.342 5.137 1.00 0.00 C ATOM 198 C MET A 15 -0.974 -9.130 6.222 1.00 0.00 C ATOM 199 O MET A 15 -0.916 -8.165 6.984 1.00 0.00 O ATOM 200 CB MET A 15 1.473 -9.183 5.706 1.00 0.00 C ATOM 201 CG MET A 15 2.497 -10.200 5.205 1.00 0.00 C ATOM 202 SD MET A 15 1.872 -11.890 5.106 1.00 0.00 S ATOM 203 CE MET A 15 0.756 -11.930 6.502 1.00 0.00 C ATOM 0 H MET A 15 0.474 -7.550 4.156 1.00 0.00 H new ATOM 0 HA MET A 15 -0.047 -10.352 4.745 1.00 0.00 H new ATOM 0 HB2 MET A 15 1.833 -8.182 5.469 1.00 0.00 H new ATOM 0 HB3 MET A 15 1.417 -9.252 6.792 1.00 0.00 H new ATOM 0 HG2 MET A 15 2.843 -9.894 4.218 1.00 0.00 H new ATOM 0 HG3 MET A 15 3.363 -10.183 5.866 1.00 0.00 H new ATOM 0 HE1 MET A 15 0.880 -12.870 7.040 1.00 0.00 H new ATOM 0 HE2 MET A 15 0.979 -11.098 7.170 1.00 0.00 H new ATOM 0 HE3 MET A 15 -0.272 -11.847 6.149 1.00 0.00 H new ATOM 213 N ASN A 16 -1.936 -10.030 6.268 1.00 0.00 N ATOM 214 CA ASN A 16 -3.021 -9.961 7.235 1.00 0.00 C ATOM 215 C ASN A 16 -2.650 -10.670 8.532 1.00 0.00 C ATOM 216 O ASN A 16 -1.579 -11.260 8.639 1.00 0.00 O ATOM 217 CB ASN A 16 -4.276 -10.580 6.636 1.00 0.00 C ATOM 218 CG ASN A 16 -4.531 -10.120 5.215 1.00 0.00 C ATOM 219 OD1 ASN A 16 -3.890 -10.780 4.254 1.00 0.00 O flip ATOM 220 ND2 ASN A 16 -5.296 -9.194 4.984 1.00 0.00 N flip ATOM 0 H ASN A 16 -1.990 -10.830 5.638 1.00 0.00 H new ATOM 0 HA ASN A 16 -3.209 -8.914 7.471 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -4.184 -11.666 6.651 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -5.135 -10.324 7.257 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -5.766 -8.717 5.753 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -5.464 -8.899 4.022 1.00 0.00 H new ATOM 227 N GLN A 17 -3.543 -10.600 9.514 1.00 0.00 N ATOM 228 CA GLN A 17 -3.306 -11.240 10.807 1.00 0.00 C ATOM 229 C GLN A 17 -3.850 -12.670 10.805 1.00 0.00 C ATOM 230 O GLN A 17 -4.541 -13.060 9.883 1.00 0.00 O ATOM 231 CB GLN A 17 -3.952 -10.440 11.934 1.00 0.00 C ATOM 232 CG GLN A 17 -3.787 -8.939 11.779 1.00 0.00 C ATOM 233 CD GLN A 17 -2.373 -8.474 12.074 1.00 0.00 C ATOM 234 OE1 GLN A 17 -1.433 -8.846 11.212 1.00 0.00 O flip ATOM 235 NE2 GLN A 17 -2.128 -7.788 13.067 1.00 0.00 N flip ATOM 0 H GLN A 17 -4.434 -10.109 9.442 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.229 -11.271 10.975 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.015 -10.679 11.976 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.518 -10.750 12.885 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -4.056 -8.651 10.763 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -4.480 -8.430 12.449 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.880 -7.525 13.703 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -1.173 -7.483 13.253 1.00 0.00 H new ATOM 244 N PRO A 18 -3.534 -13.460 11.831 1.00 0.00 N ATOM 245 CA PRO A 18 -3.991 -14.850 11.922 1.00 0.00 C ATOM 246 C PRO A 18 -5.491 -14.960 12.181 1.00 0.00 C ATOM 247 O PRO A 18 -6.106 -15.980 11.856 1.00 0.00 O ATOM 248 CB PRO A 18 -3.206 -15.420 13.107 1.00 0.00 C ATOM 249 CG PRO A 18 -2.156 -14.400 13.428 1.00 0.00 C ATOM 250 CD PRO A 18 -2.698 -13.080 12.970 1.00 0.00 C ATOM 0 HA PRO A 18 -3.823 -15.384 10.987 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -3.859 -15.592 13.963 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.755 -16.379 12.853 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.944 -14.383 14.497 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -1.220 -14.633 12.921 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -3.276 -12.586 13.751 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -1.903 -12.394 12.679 1.00 0.00 H new ATOM 258 N GLY A 19 -6.076 -13.920 12.768 1.00 0.00 N ATOM 259 CA GLY A 19 -7.499 -13.950 13.058 1.00 0.00 C ATOM 260 C GLY A 19 -8.305 -13.090 12.101 1.00 0.00 C ATOM 261 O GLY A 19 -9.476 -12.800 12.350 1.00 0.00 O ATOM 0 H GLY A 19 -5.596 -13.064 13.046 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.856 -14.979 13.006 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.666 -13.606 14.079 1.00 0.00 H new ATOM 265 N THR A 20 -7.680 -12.680 11.003 1.00 0.00 N ATOM 266 CA THR A 20 -8.350 -11.850 10.013 1.00 0.00 C ATOM 267 C THR A 20 -8.979 -12.690 8.913 1.00 0.00 C ATOM 268 O THR A 20 -8.340 -12.980 7.902 1.00 0.00 O ATOM 269 CB THR A 20 -7.358 -10.850 9.395 1.00 0.00 C ATOM 270 OG1 THR A 20 -6.055 -11.060 9.908 1.00 0.00 O ATOM 271 CG2 THR A 20 -7.721 -9.412 9.641 1.00 0.00 C ATOM 0 H THR A 20 -6.712 -12.909 10.778 1.00 0.00 H new ATOM 0 HA THR A 20 -9.145 -11.307 10.524 1.00 0.00 H new ATOM 0 HB THR A 20 -7.397 -11.033 8.321 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.640 -11.819 9.447 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.977 -8.764 9.177 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.701 -9.205 9.211 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.748 -9.222 10.714 1.00 0.00 H new ATOM 279 N GLY A 21 -10.240 -13.080 9.104 1.00 0.00 N ATOM 280 CA GLY A 21 -10.920 -13.870 8.096 1.00 0.00 C ATOM 281 C GLY A 21 -10.760 -13.270 6.714 1.00 0.00 C ATOM 282 O GLY A 21 -10.430 -13.970 5.754 1.00 0.00 O ATOM 0 H GLY A 21 -10.796 -12.864 9.932 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -10.524 -14.885 8.100 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -11.980 -13.940 8.342 1.00 0.00 H new ATOM 286 N HIS A 22 -10.960 -11.960 6.634 1.00 0.00 N ATOM 287 CA HIS A 22 -10.810 -11.230 5.398 1.00 0.00 C ATOM 288 C HIS A 22 -9.630 -10.270 5.523 1.00 0.00 C ATOM 289 O HIS A 22 -8.968 -10.230 6.560 1.00 0.00 O ATOM 290 CB HIS A 22 -12.080 -10.440 5.090 1.00 0.00 C ATOM 291 CG HIS A 22 -13.300 -11.280 4.942 1.00 0.00 C ATOM 292 ND1 HIS A 22 -13.670 -12.260 5.840 1.00 0.00 N ATOM 293 CD2 HIS A 22 -14.250 -11.270 3.989 1.00 0.00 C ATOM 294 CE1 HIS A 22 -14.800 -12.810 5.439 1.00 0.00 C ATOM 295 NE2 HIS A 22 -15.170 -12.230 4.317 1.00 0.00 N ATOM 0 H HIS A 22 -11.231 -11.381 7.429 1.00 0.00 H new ATOM 0 HA HIS A 22 -10.631 -11.936 4.587 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -12.246 -9.715 5.887 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -11.928 -9.874 4.171 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -14.281 -10.624 3.124 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -15.331 -13.602 5.946 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -16.006 -12.458 3.779 1.00 0.00 H new ATOM 304 N CYS A 23 -9.372 -9.512 4.477 1.00 0.00 N ATOM 305 CA CYS A 23 -8.272 -8.558 4.497 1.00 0.00 C ATOM 306 C CYS A 23 -8.745 -7.210 5.030 1.00 0.00 C ATOM 307 O CYS A 23 -9.844 -6.757 4.711 1.00 0.00 O ATOM 308 CB CYS A 23 -7.684 -8.393 3.097 1.00 0.00 C ATOM 309 SG CYS A 23 -6.226 -7.323 3.017 1.00 0.00 S ATOM 0 H CYS A 23 -9.902 -9.534 3.606 1.00 0.00 H new ATOM 0 HA CYS A 23 -7.496 -8.942 5.159 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -7.419 -9.377 2.710 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.453 -7.988 2.439 1.00 0.00 H new ATOM 0 HG CYS A 23 -5.210 -8.006 2.579 1.00 0.00 H new ATOM 314 N GLU A 24 -7.908 -6.573 5.842 1.00 0.00 N ATOM 315 CA GLU A 24 -8.244 -5.272 6.418 1.00 0.00 C ATOM 316 C GLU A 24 -7.813 -4.131 5.501 1.00 0.00 C ATOM 317 O GLU A 24 -7.730 -2.978 5.926 1.00 0.00 O ATOM 318 CB GLU A 24 -7.587 -5.101 7.787 1.00 0.00 C ATOM 319 CG GLU A 24 -6.180 -5.672 7.875 1.00 0.00 C ATOM 320 CD GLU A 24 -5.369 -5.054 8.997 1.00 0.00 C ATOM 321 OE1 GLU A 24 -5.247 -3.811 9.026 1.00 0.00 O ATOM 322 OE2 GLU A 24 -4.856 -5.813 9.846 1.00 0.00 O ATOM 0 H GLU A 24 -6.994 -6.933 6.117 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.327 -5.237 6.532 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.553 -4.039 8.032 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.211 -5.582 8.540 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.238 -6.750 8.025 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.666 -5.509 6.928 1.00 0.00 H new ATOM 329 N MET A 25 -7.539 -4.457 4.245 1.00 0.00 N ATOM 330 CA MET A 25 -7.115 -3.464 3.268 1.00 0.00 C ATOM 331 C MET A 25 -8.045 -3.454 2.061 1.00 0.00 C ATOM 332 O MET A 25 -8.665 -2.435 1.758 1.00 0.00 O ATOM 333 CB MET A 25 -5.679 -3.738 2.819 1.00 0.00 C ATOM 334 CG MET A 25 -4.749 -4.121 3.957 1.00 0.00 C ATOM 335 SD MET A 25 -4.664 -2.860 5.242 1.00 0.00 S ATOM 336 CE MET A 25 -3.113 -2.065 4.831 1.00 0.00 C ATOM 0 H MET A 25 -7.603 -5.406 3.878 1.00 0.00 H new ATOM 0 HA MET A 25 -7.158 -2.484 3.744 1.00 0.00 H new ATOM 0 HB2 MET A 25 -5.685 -4.539 2.080 1.00 0.00 H new ATOM 0 HB3 MET A 25 -5.286 -2.850 2.323 1.00 0.00 H new ATOM 0 HG2 MET A 25 -5.087 -5.059 4.397 1.00 0.00 H new ATOM 0 HG3 MET A 25 -3.749 -4.297 3.560 1.00 0.00 H new ATOM 0 HE1 MET A 25 -2.901 -1.282 5.559 1.00 0.00 H new ATOM 0 HE2 MET A 25 -2.311 -2.803 4.847 1.00 0.00 H new ATOM 0 HE3 MET A 25 -3.182 -1.626 3.836 1.00 0.00 H new ATOM 346 N CYS A 26 -8.154 -4.593 1.376 1.00 0.00 N ATOM 347 CA CYS A 26 -9.029 -4.686 0.214 1.00 0.00 C ATOM 348 C CYS A 26 -10.430 -5.102 0.639 1.00 0.00 C ATOM 349 O CYS A 26 -11.400 -4.908 -0.098 1.00 0.00 O ATOM 350 CB CYS A 26 -8.464 -5.658 -0.825 1.00 0.00 C ATOM 351 SG CYS A 26 -8.111 -7.307 -0.189 1.00 0.00 S ATOM 0 H CYS A 26 -7.653 -5.452 1.604 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.086 -3.701 -0.250 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -9.174 -5.744 -1.648 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -7.547 -5.237 -1.237 1.00 0.00 H new ATOM 0 HG CYS A 26 -7.293 -7.218 0.818 1.00 0.00 H new ATOM 356 N SER A 27 -10.530 -5.671 1.840 1.00 0.00 N ATOM 357 CA SER A 27 -11.800 -6.114 2.387 1.00 0.00 C ATOM 358 C SER A 27 -12.240 -7.443 1.779 1.00 0.00 C ATOM 359 O SER A 27 -13.400 -7.831 1.892 1.00 0.00 O ATOM 360 CB SER A 27 -12.890 -5.056 2.170 1.00 0.00 C ATOM 361 OG SER A 27 -13.970 -5.246 3.063 1.00 0.00 O ATOM 0 H SER A 27 -9.733 -5.835 2.455 1.00 0.00 H new ATOM 0 HA SER A 27 -11.655 -6.259 3.458 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.468 -4.061 2.311 1.00 0.00 H new ATOM 0 HB3 SER A 27 -13.251 -5.107 1.143 1.00 0.00 H new ATOM 0 HG SER A 27 -14.241 -6.188 3.052 1.00 0.00 H new ATOM 367 N LEU A 28 -11.300 -8.145 1.144 1.00 0.00 N ATOM 368 CA LEU A 28 -11.610 -9.432 0.540 1.00 0.00 C ATOM 369 C LEU A 28 -11.460 -10.540 1.559 1.00 0.00 C ATOM 370 O LEU A 28 -10.790 -10.380 2.572 1.00 0.00 O ATOM 371 CB LEU A 28 -10.720 -9.709 -0.669 1.00 0.00 C ATOM 372 CG LEU A 28 -11.280 -9.211 -2.001 1.00 0.00 C ATOM 373 CD1 LEU A 28 -10.520 -7.995 -2.474 1.00 0.00 C ATOM 374 CD2 LEU A 28 -11.240 -10.310 -3.050 1.00 0.00 C ATOM 0 H LEU A 28 -10.331 -7.845 1.038 1.00 0.00 H new ATOM 0 HA LEU A 28 -12.644 -9.398 0.197 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -9.748 -9.244 -0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -10.551 -10.783 -0.740 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.321 -8.928 -1.848 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.933 -7.655 -3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.609 -7.200 -1.734 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.469 -8.252 -2.606 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.644 -9.931 -3.989 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.209 -10.631 -3.201 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.838 -11.157 -2.713 1.00 0.00 H new ATOM 386 N PRO A 29 -12.080 -11.690 1.298 1.00 0.00 N ATOM 387 CA PRO A 29 -12.030 -12.840 2.189 1.00 0.00 C ATOM 388 C PRO A 29 -10.820 -13.720 1.939 1.00 0.00 C ATOM 389 O PRO A 29 -10.510 -14.070 0.799 1.00 0.00 O ATOM 390 CB PRO A 29 -13.320 -13.590 1.880 1.00 0.00 C ATOM 391 CG PRO A 29 -13.730 -13.170 0.497 1.00 0.00 C ATOM 392 CD PRO A 29 -12.900 -11.970 0.108 1.00 0.00 C ATOM 0 HA PRO A 29 -11.941 -12.539 3.233 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -13.165 -14.668 1.929 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -14.095 -13.346 2.606 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -13.576 -13.985 -0.210 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -14.791 -12.923 0.473 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -12.278 -12.182 -0.762 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -13.529 -11.118 -0.150 1.00 0.00 H new ATOM 400 N ARG A 30 -10.130 -14.070 3.019 1.00 0.00 N ATOM 401 CA ARG A 30 -8.953 -14.910 2.920 1.00 0.00 C ATOM 402 C ARG A 30 -9.299 -16.270 2.322 1.00 0.00 C ATOM 403 O ARG A 30 -10.390 -16.780 2.520 1.00 0.00 O ATOM 404 CB ARG A 30 -8.305 -15.080 4.295 1.00 0.00 C ATOM 405 CG ARG A 30 -7.122 -16.040 4.304 1.00 0.00 C ATOM 406 CD ARG A 30 -6.765 -16.470 5.717 1.00 0.00 C ATOM 407 NE ARG A 30 -5.578 -17.320 5.748 1.00 0.00 N ATOM 408 CZ ARG A 30 -5.555 -18.570 5.314 1.00 0.00 C ATOM 409 NH1 ARG A 30 -6.652 -19.130 4.818 1.00 0.00 N ATOM 410 NH2 ARG A 30 -4.432 -19.280 5.377 1.00 0.00 N ATOM 0 H ARG A 30 -10.368 -13.784 3.968 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.242 -14.421 2.255 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -7.972 -14.105 4.652 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.057 -15.438 4.999 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.360 -16.919 3.704 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.260 -15.561 3.839 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.594 -15.587 6.332 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.606 -17.006 6.156 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.716 -16.927 6.126 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -7.520 -18.596 4.770 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -6.627 -20.094 4.485 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -3.585 -18.861 5.761 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.418 -20.243 5.042 1.00 0.00 H new ATOM 424 N THR A 31 -8.348 -16.840 1.588 1.00 0.00 N ATOM 425 CA THR A 31 -8.539 -18.150 0.955 1.00 0.00 C ATOM 426 C THR A 31 -9.904 -18.240 0.276 1.00 0.00 C ATOM 427 O THR A 31 -10.340 -19.370 -0.012 1.00 0.00 O ATOM 428 CB THR A 31 -8.387 -19.270 1.986 1.00 0.00 C ATOM 429 OG1 THR A 31 -8.402 -20.540 1.352 1.00 0.00 O ATOM 430 CG2 THR A 31 -9.472 -19.270 3.040 1.00 0.00 C ATOM 431 OXT THR A 31 -10.520 -17.180 0.039 1.00 0.00 O ATOM 0 H THR A 31 -7.435 -16.419 1.414 1.00 0.00 H new ATOM 0 HA THR A 31 -7.771 -18.268 0.191 1.00 0.00 H new ATOM 0 HB THR A 31 -7.431 -19.082 2.476 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.094 -20.551 0.658 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.302 -20.090 3.738 1.00 0.00 H new ATOM 0 HG22 THR A 31 -9.454 -18.324 3.581 1.00 0.00 H new ATOM 0 HG23 THR A 31 -10.444 -19.396 2.562 1.00 0.00 H new ATOM 440 N MET B 101 13.651 9.782 -6.784 1.00 0.00 N ATOM 441 CA MET B 101 13.387 8.459 -7.409 1.00 0.00 C ATOM 442 C MET B 101 11.921 8.313 -7.798 1.00 0.00 C ATOM 443 O MET B 101 11.118 9.224 -7.597 1.00 0.00 O ATOM 444 CB MET B 101 13.776 7.351 -6.424 1.00 0.00 C ATOM 445 CG MET B 101 13.632 7.741 -4.962 1.00 0.00 C ATOM 446 SD MET B 101 13.906 6.354 -3.845 1.00 0.00 S ATOM 447 CE MET B 101 12.227 5.773 -3.628 1.00 0.00 C ATOM 0 HA MET B 101 13.984 8.379 -8.317 1.00 0.00 H new ATOM 0 HB2 MET B 101 13.158 6.474 -6.618 1.00 0.00 H new ATOM 0 HB3 MET B 101 14.810 7.060 -6.611 1.00 0.00 H new ATOM 0 HG2 MET B 101 14.342 8.535 -4.730 1.00 0.00 H new ATOM 0 HG3 MET B 101 12.634 8.146 -4.794 1.00 0.00 H new ATOM 0 HE1 MET B 101 12.186 5.086 -2.783 1.00 0.00 H new ATOM 0 HE2 MET B 101 11.570 6.622 -3.438 1.00 0.00 H new ATOM 0 HE3 MET B 101 11.901 5.257 -4.531 1.00 0.00 H new ATOM 459 N GLN B 102 11.580 7.155 -8.353 1.00 0.00 N ATOM 460 CA GLN B 102 10.211 6.876 -8.770 1.00 0.00 C ATOM 461 C GLN B 102 9.719 5.567 -8.167 1.00 0.00 C ATOM 462 O GLN B 102 10.509 4.677 -7.859 1.00 0.00 O ATOM 463 CB GLN B 102 10.113 6.815 -10.290 1.00 0.00 C ATOM 464 CG GLN B 102 11.335 6.206 -10.960 1.00 0.00 C ATOM 465 CD GLN B 102 11.140 5.997 -12.450 1.00 0.00 C ATOM 466 OE1 GLN B 102 10.804 6.929 -13.180 1.00 0.00 O ATOM 467 NE2 GLN B 102 11.351 4.769 -12.910 1.00 0.00 N ATOM 0 H GLN B 102 12.235 6.392 -8.525 1.00 0.00 H new ATOM 0 HA GLN B 102 9.579 7.687 -8.409 1.00 0.00 H new ATOM 0 HB2 GLN B 102 9.232 6.235 -10.565 1.00 0.00 H new ATOM 0 HB3 GLN B 102 9.963 7.823 -10.676 1.00 0.00 H new ATOM 0 HG2 GLN B 102 12.195 6.855 -10.797 1.00 0.00 H new ATOM 0 HG3 GLN B 102 11.564 5.250 -10.490 1.00 0.00 H new ATOM 0 HE21 GLN B 102 11.629 4.025 -12.270 1.00 0.00 H new ATOM 0 HE22 GLN B 102 11.235 4.570 -13.904 1.00 0.00 H new ATOM 476 N ILE B 103 8.408 5.458 -7.999 1.00 0.00 N ATOM 477 CA ILE B 103 7.809 4.257 -7.432 1.00 0.00 C ATOM 478 C ILE B 103 6.574 3.830 -8.219 1.00 0.00 C ATOM 479 O ILE B 103 5.879 4.662 -8.803 1.00 0.00 O ATOM 480 CB ILE B 103 7.422 4.466 -5.955 1.00 0.00 C ATOM 481 CG1 ILE B 103 6.321 5.522 -5.830 1.00 0.00 C ATOM 482 CG2 ILE B 103 8.641 4.872 -5.143 1.00 0.00 C ATOM 483 CD1 ILE B 103 5.717 5.601 -4.445 1.00 0.00 C ATOM 0 H ILE B 103 7.739 6.187 -8.247 1.00 0.00 H new ATOM 0 HA ILE B 103 8.561 3.470 -7.494 1.00 0.00 H new ATOM 0 HB ILE B 103 7.039 3.524 -5.562 1.00 0.00 H new ATOM 0 HG12 ILE B 103 6.731 6.496 -6.095 1.00 0.00 H new ATOM 0 HG13 ILE B 103 5.533 5.301 -6.550 1.00 0.00 H new ATOM 0 HG21 ILE B 103 8.353 5.016 -4.102 1.00 0.00 H new ATOM 0 HG22 ILE B 103 9.397 4.089 -5.205 1.00 0.00 H new ATOM 0 HG23 ILE B 103 9.049 5.802 -5.539 1.00 0.00 H new ATOM 0 HD11 ILE B 103 4.944 6.369 -4.428 1.00 0.00 H new ATOM 0 HD12 ILE B 103 5.277 4.638 -4.184 1.00 0.00 H new ATOM 0 HD13 ILE B 103 6.494 5.852 -3.723 1.00 0.00 H new ATOM 495 N PHE B 104 6.307 2.529 -8.227 1.00 0.00 N ATOM 496 CA PHE B 104 5.154 1.990 -8.939 1.00 0.00 C ATOM 497 C PHE B 104 4.014 1.680 -7.974 1.00 0.00 C ATOM 498 O PHE B 104 4.237 1.153 -6.884 1.00 0.00 O ATOM 499 CB PHE B 104 5.545 0.727 -9.706 1.00 0.00 C ATOM 500 CG PHE B 104 6.697 0.929 -10.650 1.00 0.00 C ATOM 501 CD1 PHE B 104 6.594 1.818 -11.700 1.00 0.00 C ATOM 502 CD2 PHE B 104 7.881 0.230 -10.470 1.00 0.00 C ATOM 503 CE1 PHE B 104 7.651 2.006 -12.570 1.00 0.00 C ATOM 504 CE2 PHE B 104 8.942 0.415 -11.340 1.00 0.00 C ATOM 505 CZ PHE B 104 8.827 1.304 -12.390 1.00 0.00 C ATOM 0 H PHE B 104 6.873 1.828 -7.749 1.00 0.00 H new ATOM 0 HA PHE B 104 4.812 2.745 -9.647 1.00 0.00 H new ATOM 0 HB2 PHE B 104 5.803 -0.056 -8.993 1.00 0.00 H new ATOM 0 HB3 PHE B 104 4.682 0.372 -10.270 1.00 0.00 H new ATOM 0 HD1 PHE B 104 5.678 2.372 -11.843 1.00 0.00 H new ATOM 0 HD2 PHE B 104 7.976 -0.462 -9.647 1.00 0.00 H new ATOM 0 HE1 PHE B 104 7.558 2.702 -13.391 1.00 0.00 H new ATOM 0 HE2 PHE B 104 9.860 -0.136 -11.197 1.00 0.00 H new ATOM 0 HZ PHE B 104 9.654 1.450 -13.069 1.00 0.00 H new ATOM 515 N VAL B 105 2.793 2.010 -8.382 1.00 0.00 N ATOM 516 CA VAL B 105 1.617 1.765 -7.555 1.00 0.00 C ATOM 517 C VAL B 105 0.646 0.817 -8.249 1.00 0.00 C ATOM 518 O VAL B 105 -0.021 1.194 -9.213 1.00 0.00 O ATOM 519 CB VAL B 105 0.884 3.078 -7.218 1.00 0.00 C ATOM 520 CG1 VAL B 105 -0.216 2.830 -6.198 1.00 0.00 C ATOM 521 CG2 VAL B 105 1.866 4.123 -6.712 1.00 0.00 C ATOM 0 H VAL B 105 2.592 2.448 -9.281 1.00 0.00 H new ATOM 0 HA VAL B 105 1.969 1.307 -6.631 1.00 0.00 H new ATOM 0 HB VAL B 105 0.422 3.459 -8.129 1.00 0.00 H new ATOM 0 HG11 VAL B 105 -0.722 3.769 -5.973 1.00 0.00 H new ATOM 0 HG12 VAL B 105 -0.935 2.119 -6.604 1.00 0.00 H new ATOM 0 HG13 VAL B 105 0.219 2.424 -5.285 1.00 0.00 H new ATOM 0 HG21 VAL B 105 1.330 5.043 -6.479 1.00 0.00 H new ATOM 0 HG22 VAL B 105 2.360 3.753 -5.813 1.00 0.00 H new ATOM 0 HG23 VAL B 105 2.613 4.323 -7.480 1.00 0.00 H new ATOM 531 N LYS B 106 0.574 -0.415 -7.756 1.00 0.00 N ATOM 532 CA LYS B 106 -0.313 -1.419 -8.334 1.00 0.00 C ATOM 533 C LYS B 106 -1.664 -1.436 -7.624 1.00 0.00 C ATOM 534 O LYS B 106 -1.744 -1.704 -6.425 1.00 0.00 O ATOM 535 CB LYS B 106 0.333 -2.803 -8.256 1.00 0.00 C ATOM 536 CG LYS B 106 -0.178 -3.773 -9.309 1.00 0.00 C ATOM 537 CD LYS B 106 -0.198 -5.201 -8.787 1.00 0.00 C ATOM 538 CE LYS B 106 -0.236 -6.209 -9.925 1.00 0.00 C ATOM 539 NZ LYS B 106 1.123 -6.718 -10.260 1.00 0.00 N ATOM 0 H LYS B 106 1.119 -0.742 -6.958 1.00 0.00 H new ATOM 0 HA LYS B 106 -0.479 -1.158 -9.379 1.00 0.00 H new ATOM 0 HB2 LYS B 106 1.412 -2.698 -8.364 1.00 0.00 H new ATOM 0 HB3 LYS B 106 0.152 -3.224 -7.267 1.00 0.00 H new ATOM 0 HG2 LYS B 106 -1.183 -3.482 -9.616 1.00 0.00 H new ATOM 0 HG3 LYS B 106 0.455 -3.717 -10.195 1.00 0.00 H new ATOM 0 HD2 LYS B 106 0.685 -5.377 -8.172 1.00 0.00 H new ATOM 0 HD3 LYS B 106 -1.067 -5.343 -8.145 1.00 0.00 H new ATOM 0 HE2 LYS B 106 -0.879 -7.045 -9.649 1.00 0.00 H new ATOM 0 HE3 LYS B 106 -0.678 -5.745 -10.807 1.00 0.00 H new ATOM 0 HZ1 LYS B 106 1.055 -7.402 -11.040 1.00 0.00 H new ATOM 0 HZ2 LYS B 106 1.730 -5.924 -10.548 1.00 0.00 H new ATOM 0 HZ3 LYS B 106 1.535 -7.183 -9.426 1.00 0.00 H new ATOM 553 N THR B 107 -2.723 -1.154 -8.375 1.00 0.00 N ATOM 554 CA THR B 107 -4.074 -1.141 -7.823 1.00 0.00 C ATOM 555 C THR B 107 -4.740 -2.502 -7.989 1.00 0.00 C ATOM 556 O THR B 107 -4.381 -3.274 -8.878 1.00 0.00 O ATOM 557 CB THR B 107 -4.916 -0.063 -8.508 1.00 0.00 C ATOM 558 OG1 THR B 107 -4.663 -0.040 -9.902 1.00 0.00 O ATOM 559 CG2 THR B 107 -4.658 1.329 -7.972 1.00 0.00 C ATOM 0 H THR B 107 -2.672 -0.931 -9.369 1.00 0.00 H new ATOM 0 HA THR B 107 -4.004 -0.917 -6.759 1.00 0.00 H new ATOM 0 HB THR B 107 -5.952 -0.329 -8.298 1.00 0.00 H new ATOM 0 HG1 THR B 107 -5.483 -0.268 -10.387 1.00 0.00 H new ATOM 0 HG21 THR B 107 -5.287 2.045 -8.501 1.00 0.00 H new ATOM 0 HG22 THR B 107 -4.891 1.358 -6.908 1.00 0.00 H new ATOM 0 HG23 THR B 107 -3.610 1.588 -8.121 1.00 0.00 H new ATOM 567 N LEU B 108 -5.718 -2.787 -7.133 1.00 0.00 N ATOM 568 CA LEU B 108 -6.438 -4.054 -7.196 1.00 0.00 C ATOM 569 C LEU B 108 -7.213 -4.177 -8.507 1.00 0.00 C ATOM 570 O LEU B 108 -7.701 -5.255 -8.849 1.00 0.00 O ATOM 571 CB LEU B 108 -7.403 -4.187 -6.013 1.00 0.00 C ATOM 572 CG LEU B 108 -6.761 -4.537 -4.666 1.00 0.00 C ATOM 573 CD1 LEU B 108 -7.824 -4.975 -3.669 1.00 0.00 C ATOM 574 CD2 LEU B 108 -5.708 -5.625 -4.831 1.00 0.00 C ATOM 0 H LEU B 108 -6.029 -2.160 -6.391 1.00 0.00 H new ATOM 0 HA LEU B 108 -5.702 -4.856 -7.147 1.00 0.00 H new ATOM 0 HB2 LEU B 108 -7.945 -3.248 -5.903 1.00 0.00 H new ATOM 0 HB3 LEU B 108 -8.140 -4.954 -6.253 1.00 0.00 H new ATOM 0 HG LEU B 108 -6.269 -3.643 -4.282 1.00 0.00 H new ATOM 0 HD11 LEU B 108 -7.352 -5.220 -2.718 1.00 0.00 H new ATOM 0 HD12 LEU B 108 -8.540 -4.166 -3.521 1.00 0.00 H new ATOM 0 HD13 LEU B 108 -8.343 -5.853 -4.053 1.00 0.00 H new ATOM 0 HD21 LEU B 108 -5.268 -5.855 -3.861 1.00 0.00 H new ATOM 0 HD22 LEU B 108 -6.173 -6.522 -5.241 1.00 0.00 H new ATOM 0 HD23 LEU B 108 -4.929 -5.278 -5.510 1.00 0.00 H new ATOM 586 N THR B 109 -7.327 -3.069 -9.237 1.00 0.00 N ATOM 587 CA THR B 109 -8.047 -3.064 -10.500 1.00 0.00 C ATOM 588 C THR B 109 -7.194 -3.654 -11.620 1.00 0.00 C ATOM 589 O THR B 109 -7.713 -4.041 -12.670 1.00 0.00 O ATOM 590 CB THR B 109 -8.470 -1.640 -10.860 1.00 0.00 C ATOM 591 OG1 THR B 109 -7.356 -0.765 -10.840 1.00 0.00 O ATOM 592 CG2 THR B 109 -9.517 -1.071 -9.935 1.00 0.00 C ATOM 0 H THR B 109 -6.930 -2.167 -8.973 1.00 0.00 H new ATOM 0 HA THR B 109 -8.936 -3.684 -10.385 1.00 0.00 H new ATOM 0 HB THR B 109 -8.898 -1.713 -11.860 1.00 0.00 H new ATOM 0 HG1 THR B 109 -7.647 0.141 -11.075 1.00 0.00 H new ATOM 0 HG21 THR B 109 -9.769 -0.058 -10.250 1.00 0.00 H new ATOM 0 HG22 THR B 109 -10.410 -1.695 -9.969 1.00 0.00 H new ATOM 0 HG23 THR B 109 -9.129 -1.048 -8.917 1.00 0.00 H new ATOM 600 N GLY B 110 -5.884 -3.723 -11.400 1.00 0.00 N ATOM 601 CA GLY B 110 -4.990 -4.269 -12.400 1.00 0.00 C ATOM 602 C GLY B 110 -4.227 -3.192 -13.150 1.00 0.00 C ATOM 603 O GLY B 110 -3.839 -3.382 -14.300 1.00 0.00 O ATOM 0 H GLY B 110 -5.427 -3.409 -10.544 1.00 0.00 H new ATOM 0 HA2 GLY B 110 -4.281 -4.943 -11.919 1.00 0.00 H new ATOM 0 HA3 GLY B 110 -5.565 -4.864 -13.110 1.00 0.00 H new ATOM 607 N LYS B 111 -4.011 -2.059 -12.490 1.00 0.00 N ATOM 608 CA LYS B 111 -3.290 -0.948 -13.090 1.00 0.00 C ATOM 609 C LYS B 111 -2.097 -0.544 -12.240 1.00 0.00 C ATOM 610 O LYS B 111 -2.161 -0.561 -11.010 1.00 0.00 O ATOM 611 CB LYS B 111 -4.223 0.248 -13.290 1.00 0.00 C ATOM 612 CG LYS B 111 -4.766 0.365 -14.710 1.00 0.00 C ATOM 613 CD LYS B 111 -5.466 1.696 -14.930 1.00 0.00 C ATOM 614 CE LYS B 111 -5.190 2.247 -16.320 1.00 0.00 C ATOM 615 NZ LYS B 111 -5.251 3.735 -16.350 1.00 0.00 N ATOM 0 H LYS B 111 -4.327 -1.888 -11.536 1.00 0.00 H new ATOM 0 HA LYS B 111 -2.920 -1.275 -14.062 1.00 0.00 H new ATOM 0 HB2 LYS B 111 -5.059 0.167 -12.595 1.00 0.00 H new ATOM 0 HB3 LYS B 111 -3.687 1.163 -13.038 1.00 0.00 H new ATOM 0 HG2 LYS B 111 -3.948 0.260 -15.423 1.00 0.00 H new ATOM 0 HG3 LYS B 111 -5.463 -0.450 -14.903 1.00 0.00 H new ATOM 0 HD2 LYS B 111 -6.540 1.570 -14.794 1.00 0.00 H new ATOM 0 HD3 LYS B 111 -5.131 2.413 -14.180 1.00 0.00 H new ATOM 0 HE2 LYS B 111 -4.206 1.917 -16.652 1.00 0.00 H new ATOM 0 HE3 LYS B 111 -5.917 1.840 -17.023 1.00 0.00 H new ATOM 0 HZ1 LYS B 111 -5.057 4.071 -17.315 1.00 0.00 H new ATOM 0 HZ2 LYS B 111 -6.198 4.050 -16.057 1.00 0.00 H new ATOM 0 HZ3 LYS B 111 -4.540 4.125 -15.699 1.00 0.00 H new ATOM 629 N THR B 112 -1.010 -0.184 -12.910 1.00 0.00 N ATOM 630 CA THR B 112 0.210 0.224 -12.220 1.00 0.00 C ATOM 631 C THR B 112 0.549 1.675 -12.560 1.00 0.00 C ATOM 632 O THR B 112 0.694 2.035 -13.730 1.00 0.00 O ATOM 633 CB THR B 112 1.358 -0.707 -12.630 1.00 0.00 C ATOM 634 OG1 THR B 112 1.257 -1.944 -11.940 1.00 0.00 O ATOM 635 CG2 THR B 112 2.736 -0.142 -12.340 1.00 0.00 C ATOM 0 H THR B 112 -0.947 -0.166 -13.928 1.00 0.00 H new ATOM 0 HA THR B 112 0.059 0.154 -11.143 1.00 0.00 H new ATOM 0 HB THR B 112 1.257 -0.831 -13.708 1.00 0.00 H new ATOM 0 HG1 THR B 112 1.994 -2.531 -12.211 1.00 0.00 H new ATOM 0 HG21 THR B 112 3.496 -0.856 -12.657 1.00 0.00 H new ATOM 0 HG22 THR B 112 2.868 0.793 -12.884 1.00 0.00 H new ATOM 0 HG23 THR B 112 2.836 0.043 -11.270 1.00 0.00 H new ATOM 643 N ILE B 113 0.673 2.504 -11.530 1.00 0.00 N ATOM 644 CA ILE B 113 0.992 3.914 -11.720 1.00 0.00 C ATOM 645 C ILE B 113 2.409 4.226 -11.250 1.00 0.00 C ATOM 646 O ILE B 113 2.808 3.864 -10.150 1.00 0.00 O ATOM 647 CB ILE B 113 0.015 4.839 -10.960 1.00 0.00 C ATOM 648 CG1 ILE B 113 -1.368 4.194 -10.840 1.00 0.00 C ATOM 649 CG2 ILE B 113 -0.082 6.185 -11.660 1.00 0.00 C ATOM 650 CD1 ILE B 113 -2.390 5.074 -10.150 1.00 0.00 C ATOM 0 H ILE B 113 0.558 2.225 -10.556 1.00 0.00 H new ATOM 0 HA ILE B 113 0.902 4.102 -12.790 1.00 0.00 H new ATOM 0 HB ILE B 113 0.401 4.994 -9.953 1.00 0.00 H new ATOM 0 HG12 ILE B 113 -1.731 3.944 -11.837 1.00 0.00 H new ATOM 0 HG13 ILE B 113 -1.276 3.258 -10.290 1.00 0.00 H new ATOM 0 HG21 ILE B 113 -0.773 6.829 -11.116 1.00 0.00 H new ATOM 0 HG22 ILE B 113 0.903 6.652 -11.689 1.00 0.00 H new ATOM 0 HG23 ILE B 113 -0.445 6.041 -12.678 1.00 0.00 H new ATOM 0 HD11 ILE B 113 -3.346 4.552 -10.101 1.00 0.00 H new ATOM 0 HD12 ILE B 113 -2.050 5.304 -9.140 1.00 0.00 H new ATOM 0 HD13 ILE B 113 -2.511 6.000 -10.712 1.00 0.00 H new ATOM 662 N THR B 114 3.156 4.915 -12.100 1.00 0.00 N ATOM 663 CA THR B 114 4.523 5.299 -11.790 1.00 0.00 C ATOM 664 C THR B 114 4.569 6.758 -11.360 1.00 0.00 C ATOM 665 O THR B 114 4.037 7.633 -12.040 1.00 0.00 O ATOM 666 CB THR B 114 5.437 5.077 -12.990 1.00 0.00 C ATOM 667 OG1 THR B 114 5.109 3.869 -13.660 1.00 0.00 O ATOM 668 CG2 THR B 114 6.904 5.015 -12.630 1.00 0.00 C ATOM 0 H THR B 114 2.833 5.221 -13.018 1.00 0.00 H new ATOM 0 HA THR B 114 4.878 4.673 -10.971 1.00 0.00 H new ATOM 0 HB THR B 114 5.275 5.943 -13.632 1.00 0.00 H new ATOM 0 HG1 THR B 114 5.700 3.152 -13.349 1.00 0.00 H new ATOM 0 HG21 THR B 114 7.494 4.855 -13.533 1.00 0.00 H new ATOM 0 HG22 THR B 114 7.204 5.953 -12.162 1.00 0.00 H new ATOM 0 HG23 THR B 114 7.074 4.192 -11.935 1.00 0.00 H new ATOM 676 N LEU B 115 5.196 7.014 -10.220 1.00 0.00 N ATOM 677 CA LEU B 115 5.297 8.366 -9.699 1.00 0.00 C ATOM 678 C LEU B 115 6.732 8.692 -9.308 1.00 0.00 C ATOM 679 O LEU B 115 7.611 7.833 -9.365 1.00 0.00 O ATOM 680 CB LEU B 115 4.372 8.526 -8.492 1.00 0.00 C ATOM 681 CG LEU B 115 2.881 8.377 -8.802 1.00 0.00 C ATOM 682 CD1 LEU B 115 2.155 7.706 -7.646 1.00 0.00 C ATOM 683 CD2 LEU B 115 2.262 9.733 -9.107 1.00 0.00 C ATOM 0 H LEU B 115 5.641 6.303 -9.640 1.00 0.00 H new ATOM 0 HA LEU B 115 4.992 9.062 -10.481 1.00 0.00 H new ATOM 0 HB2 LEU B 115 4.648 7.787 -7.740 1.00 0.00 H new ATOM 0 HB3 LEU B 115 4.541 9.508 -8.050 1.00 0.00 H new ATOM 0 HG LEU B 115 2.777 7.744 -9.683 1.00 0.00 H new ATOM 0 HD11 LEU B 115 1.096 7.610 -7.888 1.00 0.00 H new ATOM 0 HD12 LEU B 115 2.579 6.717 -7.475 1.00 0.00 H new ATOM 0 HD13 LEU B 115 2.268 8.310 -6.746 1.00 0.00 H new ATOM 0 HD21 LEU B 115 1.201 9.608 -9.325 1.00 0.00 H new ATOM 0 HD22 LEU B 115 2.380 10.389 -8.245 1.00 0.00 H new ATOM 0 HD23 LEU B 115 2.760 10.175 -9.970 1.00 0.00 H new ATOM 695 N GLU B 116 6.959 9.937 -8.911 1.00 0.00 N ATOM 696 CA GLU B 116 8.286 10.380 -8.509 1.00 0.00 C ATOM 697 C GLU B 116 8.305 10.758 -7.035 1.00 0.00 C ATOM 698 O GLU B 116 7.666 11.724 -6.619 1.00 0.00 O ATOM 699 CB GLU B 116 8.732 11.570 -9.356 1.00 0.00 C ATOM 700 CG GLU B 116 10.202 11.919 -9.189 1.00 0.00 C ATOM 701 CD GLU B 116 10.641 13.046 -10.100 1.00 0.00 C ATOM 702 OE1 GLU B 116 11.056 12.758 -11.240 1.00 0.00 O ATOM 703 OE2 GLU B 116 10.572 14.218 -9.675 1.00 0.00 O ATOM 0 H GLU B 116 6.240 10.658 -8.859 1.00 0.00 H new ATOM 0 HA GLU B 116 8.979 9.554 -8.666 1.00 0.00 H new ATOM 0 HB2 GLU B 116 8.536 11.352 -10.406 1.00 0.00 H new ATOM 0 HB3 GLU B 116 8.129 12.439 -9.093 1.00 0.00 H new ATOM 0 HG2 GLU B 116 10.389 12.201 -8.153 1.00 0.00 H new ATOM 0 HG3 GLU B 116 10.807 11.035 -9.393 1.00 0.00 H new ATOM 710 N VAL B 117 9.046 9.988 -6.255 1.00 0.00 N ATOM 711 CA VAL B 117 9.164 10.227 -4.828 1.00 0.00 C ATOM 712 C VAL B 117 10.619 10.127 -4.402 1.00 0.00 C ATOM 713 O VAL B 117 11.500 9.917 -5.234 1.00 0.00 O ATOM 714 CB VAL B 117 8.329 9.220 -4.018 1.00 0.00 C ATOM 715 CG1 VAL B 117 6.845 9.419 -4.285 1.00 0.00 C ATOM 716 CG2 VAL B 117 8.752 7.795 -4.340 1.00 0.00 C ATOM 0 H VAL B 117 9.579 9.186 -6.591 1.00 0.00 H new ATOM 0 HA VAL B 117 8.786 11.230 -4.628 1.00 0.00 H new ATOM 0 HB VAL B 117 8.509 9.396 -2.957 1.00 0.00 H new ATOM 0 HG11 VAL B 117 6.271 8.698 -3.703 1.00 0.00 H new ATOM 0 HG12 VAL B 117 6.556 10.430 -3.997 1.00 0.00 H new ATOM 0 HG13 VAL B 117 6.643 9.272 -5.346 1.00 0.00 H new ATOM 0 HG21 VAL B 117 8.151 7.097 -3.758 1.00 0.00 H new ATOM 0 HG22 VAL B 117 8.604 7.603 -5.403 1.00 0.00 H new ATOM 0 HG23 VAL B 117 9.805 7.663 -4.090 1.00 0.00 H new ATOM 726 N GLU B 118 10.872 10.276 -3.111 1.00 0.00 N ATOM 727 CA GLU B 118 12.227 10.196 -2.601 1.00 0.00 C ATOM 728 C GLU B 118 12.301 9.256 -1.402 1.00 0.00 C ATOM 729 O GLU B 118 11.289 8.978 -0.758 1.00 0.00 O ATOM 730 CB GLU B 118 12.727 11.585 -2.203 1.00 0.00 C ATOM 731 CG GLU B 118 13.781 12.147 -3.142 1.00 0.00 C ATOM 732 CD GLU B 118 13.678 13.651 -3.301 1.00 0.00 C ATOM 733 OE1 GLU B 118 12.684 14.118 -3.896 1.00 0.00 O ATOM 734 OE2 GLU B 118 14.591 14.362 -2.831 1.00 0.00 O ATOM 0 H GLU B 118 10.160 10.452 -2.403 1.00 0.00 H new ATOM 0 HA GLU B 118 12.864 9.800 -3.392 1.00 0.00 H new ATOM 0 HB2 GLU B 118 11.880 12.270 -2.170 1.00 0.00 H new ATOM 0 HB3 GLU B 118 13.139 11.538 -1.195 1.00 0.00 H new ATOM 0 HG2 GLU B 118 14.771 11.892 -2.765 1.00 0.00 H new ATOM 0 HG3 GLU B 118 13.681 11.674 -4.119 1.00 0.00 H new ATOM 741 N PRO B 119 13.506 8.761 -1.078 1.00 0.00 N ATOM 742 CA PRO B 119 13.706 7.859 0.056 1.00 0.00 C ATOM 743 C PRO B 119 13.700 8.598 1.392 1.00 0.00 C ATOM 744 O PRO B 119 13.807 7.983 2.452 1.00 0.00 O ATOM 745 CB PRO B 119 15.082 7.263 -0.219 1.00 0.00 C ATOM 746 CG PRO B 119 15.808 8.330 -0.963 1.00 0.00 C ATOM 747 CD PRO B 119 14.770 9.050 -1.784 1.00 0.00 C ATOM 0 HA PRO B 119 12.911 7.118 0.140 1.00 0.00 H new ATOM 0 HB2 PRO B 119 15.595 7.005 0.707 1.00 0.00 H new ATOM 0 HB3 PRO B 119 15.008 6.349 -0.808 1.00 0.00 H new ATOM 0 HG2 PRO B 119 16.305 9.015 -0.276 1.00 0.00 H new ATOM 0 HG3 PRO B 119 16.581 7.902 -1.601 1.00 0.00 H new ATOM 0 HD2 PRO B 119 14.968 10.121 -1.830 1.00 0.00 H new ATOM 0 HD3 PRO B 119 14.748 8.686 -2.811 1.00 0.00 H new ATOM 755 N SER B 120 13.573 9.920 1.334 1.00 0.00 N ATOM 756 CA SER B 120 13.552 10.739 2.539 1.00 0.00 C ATOM 757 C SER B 120 12.156 11.301 2.789 1.00 0.00 C ATOM 758 O SER B 120 11.808 11.642 3.919 1.00 0.00 O ATOM 759 CB SER B 120 14.561 11.882 2.422 1.00 0.00 C ATOM 760 OG SER B 120 15.131 12.191 3.682 1.00 0.00 O ATOM 0 H SER B 120 13.483 10.446 0.465 1.00 0.00 H new ATOM 0 HA SER B 120 13.827 10.107 3.383 1.00 0.00 H new ATOM 0 HB2 SER B 120 15.349 11.605 1.721 1.00 0.00 H new ATOM 0 HB3 SER B 120 14.069 12.766 2.016 1.00 0.00 H new ATOM 0 HG SER B 120 15.774 12.924 3.579 1.00 0.00 H new ATOM 766 N ASP B 121 11.361 11.395 1.727 1.00 0.00 N ATOM 767 CA ASP B 121 10.005 11.916 1.834 1.00 0.00 C ATOM 768 C ASP B 121 9.167 11.059 2.780 1.00 0.00 C ATOM 769 O ASP B 121 9.703 10.253 3.540 1.00 0.00 O ATOM 770 CB ASP B 121 9.349 11.971 0.453 1.00 0.00 C ATOM 771 CG ASP B 121 8.519 13.225 0.257 1.00 0.00 C ATOM 772 OD1 ASP B 121 7.718 13.553 1.157 1.00 0.00 O ATOM 773 OD2 ASP B 121 8.669 13.877 -0.798 1.00 0.00 O ATOM 0 H ASP B 121 11.633 11.117 0.784 1.00 0.00 H new ATOM 0 HA ASP B 121 10.058 12.925 2.242 1.00 0.00 H new ATOM 0 HB2 ASP B 121 10.121 11.926 -0.315 1.00 0.00 H new ATOM 0 HB3 ASP B 121 8.715 11.094 0.320 1.00 0.00 H new ATOM 778 N THR B 122 7.851 11.237 2.725 1.00 0.00 N ATOM 779 CA THR B 122 6.941 10.480 3.571 1.00 0.00 C ATOM 780 C THR B 122 5.838 9.845 2.734 1.00 0.00 C ATOM 781 O THR B 122 5.560 10.284 1.618 1.00 0.00 O ATOM 782 CB THR B 122 6.330 11.387 4.640 1.00 0.00 C ATOM 783 OG1 THR B 122 5.901 12.612 4.072 1.00 0.00 O ATOM 784 CG2 THR B 122 7.288 11.714 5.765 1.00 0.00 C ATOM 0 H THR B 122 7.392 11.901 2.101 1.00 0.00 H new ATOM 0 HA THR B 122 7.507 9.688 4.062 1.00 0.00 H new ATOM 0 HB THR B 122 5.490 10.826 5.050 1.00 0.00 H new ATOM 0 HG1 THR B 122 5.645 13.232 4.786 1.00 0.00 H new ATOM 0 HG21 THR B 122 6.792 12.361 6.489 1.00 0.00 H new ATOM 0 HG22 THR B 122 7.601 10.792 6.256 1.00 0.00 H new ATOM 0 HG23 THR B 122 8.162 12.225 5.362 1.00 0.00 H new ATOM 792 N ILE B 123 5.212 8.810 3.279 1.00 0.00 N ATOM 793 CA ILE B 123 4.138 8.116 2.580 1.00 0.00 C ATOM 794 C ILE B 123 2.985 9.067 2.278 1.00 0.00 C ATOM 795 O ILE B 123 2.283 8.911 1.279 1.00 0.00 O ATOM 796 CB ILE B 123 3.609 6.923 3.400 1.00 0.00 C ATOM 797 CG1 ILE B 123 4.766 6.030 3.853 1.00 0.00 C ATOM 798 CG2 ILE B 123 2.603 6.123 2.586 1.00 0.00 C ATOM 799 CD1 ILE B 123 5.628 5.531 2.713 1.00 0.00 C ATOM 0 H ILE B 123 5.429 8.433 4.202 1.00 0.00 H new ATOM 0 HA ILE B 123 4.555 7.741 1.645 1.00 0.00 H new ATOM 0 HB ILE B 123 3.105 7.309 4.286 1.00 0.00 H new ATOM 0 HG12 ILE B 123 5.390 6.585 4.553 1.00 0.00 H new ATOM 0 HG13 ILE B 123 4.363 5.174 4.395 1.00 0.00 H new ATOM 0 HG21 ILE B 123 2.239 5.284 3.180 1.00 0.00 H new ATOM 0 HG22 ILE B 123 1.765 6.764 2.312 1.00 0.00 H new ATOM 0 HG23 ILE B 123 3.083 5.747 1.683 1.00 0.00 H new ATOM 0 HD11 ILE B 123 6.428 4.905 3.109 1.00 0.00 H new ATOM 0 HD12 ILE B 123 5.018 4.948 2.024 1.00 0.00 H new ATOM 0 HD13 ILE B 123 6.060 6.381 2.185 1.00 0.00 H new ATOM 811 N GLU B 124 2.798 10.056 3.147 1.00 0.00 N ATOM 812 CA GLU B 124 1.734 11.036 2.973 1.00 0.00 C ATOM 813 C GLU B 124 1.936 11.827 1.685 1.00 0.00 C ATOM 814 O GLU B 124 0.972 12.207 1.021 1.00 0.00 O ATOM 815 CB GLU B 124 1.682 11.982 4.174 1.00 0.00 C ATOM 816 CG GLU B 124 2.897 12.889 4.292 1.00 0.00 C ATOM 817 CD GLU B 124 2.687 14.020 5.279 1.00 0.00 C ATOM 818 OE1 GLU B 124 2.858 13.787 6.494 1.00 0.00 O ATOM 819 OE2 GLU B 124 2.350 15.139 4.837 1.00 0.00 O ATOM 0 H GLU B 124 3.371 10.199 3.979 1.00 0.00 H new ATOM 0 HA GLU B 124 0.785 10.504 2.904 1.00 0.00 H new ATOM 0 HB2 GLU B 124 0.786 12.598 4.101 1.00 0.00 H new ATOM 0 HB3 GLU B 124 1.590 11.392 5.086 1.00 0.00 H new ATOM 0 HG2 GLU B 124 3.759 12.297 4.601 1.00 0.00 H new ATOM 0 HG3 GLU B 124 3.131 13.306 3.312 1.00 0.00 H new ATOM 826 N ASN B 125 3.196 12.063 1.334 1.00 0.00 N ATOM 827 CA ASN B 125 3.521 12.798 0.119 1.00 0.00 C ATOM 828 C ASN B 125 3.238 11.942 -1.109 1.00 0.00 C ATOM 829 O ASN B 125 2.739 12.434 -2.121 1.00 0.00 O ATOM 830 CB ASN B 125 4.989 13.232 0.134 1.00 0.00 C ATOM 831 CG ASN B 125 5.162 14.696 -0.221 1.00 0.00 C ATOM 832 OD1 ASN B 125 4.783 15.132 -1.308 1.00 0.00 O ATOM 833 ND2 ASN B 125 5.739 15.463 0.697 1.00 0.00 N ATOM 0 H ASN B 125 4.006 11.756 1.873 1.00 0.00 H new ATOM 0 HA ASN B 125 2.895 13.689 0.076 1.00 0.00 H new ATOM 0 HB2 ASN B 125 5.409 13.048 1.123 1.00 0.00 H new ATOM 0 HB3 ASN B 125 5.553 12.621 -0.571 1.00 0.00 H new ATOM 0 HD21 ASN B 125 5.883 16.456 0.514 1.00 0.00 H new ATOM 0 HD22 ASN B 125 6.038 15.059 1.585 1.00 0.00 H new ATOM 840 N VAL B 126 3.552 10.655 -1.007 1.00 0.00 N ATOM 841 CA VAL B 126 3.321 9.724 -2.103 1.00 0.00 C ATOM 842 C VAL B 126 1.828 9.533 -2.335 1.00 0.00 C ATOM 843 O VAL B 126 1.367 9.483 -3.475 1.00 0.00 O ATOM 844 CB VAL B 126 3.968 8.354 -1.823 1.00 0.00 C ATOM 845 CG1 VAL B 126 3.837 7.443 -3.035 1.00 0.00 C ATOM 846 CG2 VAL B 126 5.428 8.521 -1.426 1.00 0.00 C ATOM 0 H VAL B 126 3.967 10.234 -0.176 1.00 0.00 H new ATOM 0 HA VAL B 126 3.779 10.152 -2.995 1.00 0.00 H new ATOM 0 HB VAL B 126 3.442 7.889 -0.990 1.00 0.00 H new ATOM 0 HG11 VAL B 126 4.300 6.480 -2.818 1.00 0.00 H new ATOM 0 HG12 VAL B 126 2.782 7.295 -3.266 1.00 0.00 H new ATOM 0 HG13 VAL B 126 4.335 7.901 -3.890 1.00 0.00 H new ATOM 0 HG21 VAL B 126 5.867 7.542 -1.233 1.00 0.00 H new ATOM 0 HG22 VAL B 126 5.972 9.009 -2.235 1.00 0.00 H new ATOM 0 HG23 VAL B 126 5.493 9.132 -0.526 1.00 0.00 H new ATOM 856 N LYS B 127 1.076 9.437 -1.243 1.00 0.00 N ATOM 857 CA LYS B 127 -0.367 9.264 -1.324 1.00 0.00 C ATOM 858 C LYS B 127 -1.020 10.530 -1.863 1.00 0.00 C ATOM 859 O LYS B 127 -1.987 10.469 -2.621 1.00 0.00 O ATOM 860 CB LYS B 127 -0.938 8.916 0.053 1.00 0.00 C ATOM 861 CG LYS B 127 -1.680 7.589 0.084 1.00 0.00 C ATOM 862 CD LYS B 127 -1.236 6.726 1.255 1.00 0.00 C ATOM 863 CE LYS B 127 -2.170 6.878 2.445 1.00 0.00 C ATOM 864 NZ LYS B 127 -1.490 6.557 3.730 1.00 0.00 N ATOM 0 H LYS B 127 1.444 9.476 -0.292 1.00 0.00 H new ATOM 0 HA LYS B 127 -0.582 8.443 -2.007 1.00 0.00 H new ATOM 0 HB2 LYS B 127 -0.124 8.885 0.778 1.00 0.00 H new ATOM 0 HB3 LYS B 127 -1.616 9.710 0.368 1.00 0.00 H new ATOM 0 HG2 LYS B 127 -2.752 7.773 0.153 1.00 0.00 H new ATOM 0 HG3 LYS B 127 -1.508 7.053 -0.849 1.00 0.00 H new ATOM 0 HD2 LYS B 127 -1.205 5.681 0.947 1.00 0.00 H new ATOM 0 HD3 LYS B 127 -0.223 7.002 1.548 1.00 0.00 H new ATOM 0 HE2 LYS B 127 -2.549 7.899 2.480 1.00 0.00 H new ATOM 0 HE3 LYS B 127 -3.031 6.222 2.316 1.00 0.00 H new ATOM 0 HZ1 LYS B 127 -2.203 6.390 4.468 1.00 0.00 H new ATOM 0 HZ2 LYS B 127 -0.909 5.703 3.611 1.00 0.00 H new ATOM 0 HZ3 LYS B 127 -0.882 7.353 4.010 1.00 0.00 H new ATOM 878 N ALA B 128 -0.472 11.678 -1.477 1.00 0.00 N ATOM 879 CA ALA B 128 -0.990 12.958 -1.935 1.00 0.00 C ATOM 880 C ALA B 128 -0.837 13.077 -3.445 1.00 0.00 C ATOM 881 O ALA B 128 -1.650 13.711 -4.118 1.00 0.00 O ATOM 882 CB ALA B 128 -0.272 14.099 -1.232 1.00 0.00 C ATOM 0 H ALA B 128 0.329 11.746 -0.849 1.00 0.00 H new ATOM 0 HA ALA B 128 -2.050 13.016 -1.690 1.00 0.00 H new ATOM 0 HB1 ALA B 128 -0.669 15.051 -1.584 1.00 0.00 H new ATOM 0 HB2 ALA B 128 -0.426 14.017 -0.156 1.00 0.00 H new ATOM 0 HB3 ALA B 128 0.794 14.048 -1.451 1.00 0.00 H new ATOM 888 N LYS B 129 0.211 12.450 -3.971 1.00 0.00 N ATOM 889 CA LYS B 129 0.478 12.466 -5.401 1.00 0.00 C ATOM 890 C LYS B 129 -0.541 11.616 -6.142 1.00 0.00 C ATOM 891 O LYS B 129 -1.200 12.083 -7.071 1.00 0.00 O ATOM 892 CB LYS B 129 1.888 11.949 -5.675 1.00 0.00 C ATOM 893 CG LYS B 129 2.805 13.001 -6.260 1.00 0.00 C ATOM 894 CD LYS B 129 4.225 12.847 -5.743 1.00 0.00 C ATOM 895 CE LYS B 129 5.013 14.136 -5.890 1.00 0.00 C ATOM 896 NZ LYS B 129 4.453 15.230 -5.049 1.00 0.00 N ATOM 0 H LYS B 129 0.891 11.923 -3.423 1.00 0.00 H new ATOM 0 HA LYS B 129 0.399 13.493 -5.758 1.00 0.00 H new ATOM 0 HB2 LYS B 129 2.319 11.577 -4.745 1.00 0.00 H new ATOM 0 HB3 LYS B 129 1.831 11.104 -6.361 1.00 0.00 H new ATOM 0 HG2 LYS B 129 2.802 12.925 -7.347 1.00 0.00 H new ATOM 0 HG3 LYS B 129 2.430 13.993 -6.009 1.00 0.00 H new ATOM 0 HD2 LYS B 129 4.201 12.551 -4.694 1.00 0.00 H new ATOM 0 HD3 LYS B 129 4.727 12.048 -6.288 1.00 0.00 H new ATOM 0 HE2 LYS B 129 6.052 13.960 -5.611 1.00 0.00 H new ATOM 0 HE3 LYS B 129 5.011 14.445 -6.935 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 5.196 15.929 -4.849 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 3.671 15.691 -5.555 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 4.100 14.834 -4.154 1.00 0.00 H new ATOM 910 N ILE B 130 -0.677 10.366 -5.712 1.00 0.00 N ATOM 911 CA ILE B 130 -1.630 9.451 -6.321 1.00 0.00 C ATOM 912 C ILE B 130 -3.038 10.037 -6.274 1.00 0.00 C ATOM 913 O ILE B 130 -3.915 9.639 -7.041 1.00 0.00 O ATOM 914 CB ILE B 130 -1.626 8.080 -5.614 1.00 0.00 C ATOM 915 CG1 ILE B 130 -0.211 7.499 -5.585 1.00 0.00 C ATOM 916 CG2 ILE B 130 -2.581 7.120 -6.308 1.00 0.00 C ATOM 917 CD1 ILE B 130 0.055 6.615 -4.387 1.00 0.00 C ATOM 0 H ILE B 130 -0.138 9.965 -4.944 1.00 0.00 H new ATOM 0 HA ILE B 130 -1.327 9.309 -7.358 1.00 0.00 H new ATOM 0 HB ILE B 130 -1.964 8.220 -4.587 1.00 0.00 H new ATOM 0 HG12 ILE B 130 -0.045 6.923 -6.495 1.00 0.00 H new ATOM 0 HG13 ILE B 130 0.509 8.317 -5.590 1.00 0.00 H new ATOM 0 HG21 ILE B 130 -2.565 6.158 -5.796 1.00 0.00 H new ATOM 0 HG22 ILE B 130 -3.591 7.529 -6.281 1.00 0.00 H new ATOM 0 HG23 ILE B 130 -2.272 6.985 -7.344 1.00 0.00 H new ATOM 0 HD11 ILE B 130 1.077 6.238 -4.432 1.00 0.00 H new ATOM 0 HD12 ILE B 130 -0.079 7.192 -3.472 1.00 0.00 H new ATOM 0 HD13 ILE B 130 -0.641 5.776 -4.392 1.00 0.00 H new ATOM 929 N GLN B 131 -3.242 10.997 -5.374 1.00 0.00 N ATOM 930 CA GLN B 131 -4.537 11.650 -5.231 1.00 0.00 C ATOM 931 C GLN B 131 -4.716 12.711 -6.309 1.00 0.00 C ATOM 932 O GLN B 131 -5.772 12.812 -6.932 1.00 0.00 O ATOM 933 CB GLN B 131 -4.662 12.287 -3.846 1.00 0.00 C ATOM 934 CG GLN B 131 -6.054 12.172 -3.246 1.00 0.00 C ATOM 935 CD GLN B 131 -6.852 13.455 -3.377 1.00 0.00 C ATOM 936 OE1 GLN B 131 -7.220 13.862 -4.479 1.00 0.00 O ATOM 937 NE2 GLN B 131 -7.124 14.100 -2.248 1.00 0.00 N ATOM 0 H GLN B 131 -2.525 11.338 -4.734 1.00 0.00 H new ATOM 0 HA GLN B 131 -5.317 10.897 -5.344 1.00 0.00 H new ATOM 0 HB2 GLN B 131 -3.945 11.816 -3.173 1.00 0.00 H new ATOM 0 HB3 GLN B 131 -4.391 13.341 -3.914 1.00 0.00 H new ATOM 0 HG2 GLN B 131 -6.592 11.362 -3.738 1.00 0.00 H new ATOM 0 HG3 GLN B 131 -5.971 11.906 -2.192 1.00 0.00 H new ATOM 0 HE21 GLN B 131 -6.799 13.726 -1.356 1.00 0.00 H new ATOM 0 HE22 GLN B 131 -7.658 14.969 -2.273 1.00 0.00 H new ATOM 946 N ASP B 132 -3.670 13.499 -6.526 1.00 0.00 N ATOM 947 CA ASP B 132 -3.705 14.552 -7.533 1.00 0.00 C ATOM 948 C ASP B 132 -3.874 13.963 -8.932 1.00 0.00 C ATOM 949 O ASP B 132 -4.298 14.654 -9.859 1.00 0.00 O ATOM 950 CB ASP B 132 -2.425 15.388 -7.471 1.00 0.00 C ATOM 951 CG ASP B 132 -2.681 16.858 -7.737 1.00 0.00 C ATOM 952 OD1 ASP B 132 -2.705 17.252 -8.922 1.00 0.00 O ATOM 953 OD2 ASP B 132 -2.859 17.616 -6.760 1.00 0.00 O ATOM 0 H ASP B 132 -2.788 13.429 -6.019 1.00 0.00 H new ATOM 0 HA ASP B 132 -4.561 15.193 -7.322 1.00 0.00 H new ATOM 0 HB2 ASP B 132 -1.967 15.274 -6.488 1.00 0.00 H new ATOM 0 HB3 ASP B 132 -1.711 15.008 -8.202 1.00 0.00 H new ATOM 958 N LYS B 133 -3.538 12.683 -9.081 1.00 0.00 N ATOM 959 CA LYS B 133 -3.651 12.008 -10.360 1.00 0.00 C ATOM 960 C LYS B 133 -4.992 11.288 -10.490 1.00 0.00 C ATOM 961 O LYS B 133 -5.671 11.405 -11.510 1.00 0.00 O ATOM 962 CB LYS B 133 -2.503 11.010 -10.540 1.00 0.00 C ATOM 963 CG LYS B 133 -1.624 11.299 -11.740 1.00 0.00 C ATOM 964 CD LYS B 133 -2.306 10.895 -13.040 1.00 0.00 C ATOM 965 CE LYS B 133 -1.292 10.572 -14.130 1.00 0.00 C ATOM 966 NZ LYS B 133 -0.649 9.246 -13.910 1.00 0.00 N ATOM 0 H LYS B 133 -3.185 12.096 -8.325 1.00 0.00 H new ATOM 0 HA LYS B 133 -3.593 12.765 -11.142 1.00 0.00 H new ATOM 0 HB2 LYS B 133 -1.887 11.013 -9.641 1.00 0.00 H new ATOM 0 HB3 LYS B 133 -2.918 10.007 -10.638 1.00 0.00 H new ATOM 0 HG2 LYS B 133 -1.383 12.362 -11.769 1.00 0.00 H new ATOM 0 HG3 LYS B 133 -0.681 10.761 -11.640 1.00 0.00 H new ATOM 0 HD2 LYS B 133 -2.940 10.026 -12.864 1.00 0.00 H new ATOM 0 HD3 LYS B 133 -2.957 11.702 -13.376 1.00 0.00 H new ATOM 0 HE2 LYS B 133 -1.787 10.580 -15.101 1.00 0.00 H new ATOM 0 HE3 LYS B 133 -0.527 11.348 -14.156 1.00 0.00 H new ATOM 0 HZ1 LYS B 133 -0.096 8.985 -14.751 1.00 0.00 H new ATOM 0 HZ2 LYS B 133 -0.019 9.298 -13.084 1.00 0.00 H new ATOM 0 HZ3 LYS B 133 -1.382 8.528 -13.741 1.00 0.00 H new ATOM 980 N GLU B 134 -5.364 10.539 -9.465 1.00 0.00 N ATOM 981 CA GLU B 134 -6.620 9.796 -9.473 1.00 0.00 C ATOM 982 C GLU B 134 -7.665 10.470 -8.588 1.00 0.00 C ATOM 983 O GLU B 134 -8.799 10.694 -9.011 1.00 0.00 O ATOM 984 CB GLU B 134 -6.385 8.357 -9.005 1.00 0.00 C ATOM 985 CG GLU B 134 -6.554 7.324 -10.100 1.00 0.00 C ATOM 986 CD GLU B 134 -7.989 6.859 -10.250 1.00 0.00 C ATOM 987 OE1 GLU B 134 -8.744 7.492 -11.020 1.00 0.00 O ATOM 988 OE2 GLU B 134 -8.359 5.860 -9.601 1.00 0.00 O ATOM 0 H GLU B 134 -4.814 10.427 -8.613 1.00 0.00 H new ATOM 0 HA GLU B 134 -6.998 9.783 -10.495 1.00 0.00 H new ATOM 0 HB2 GLU B 134 -5.378 8.278 -8.595 1.00 0.00 H new ATOM 0 HB3 GLU B 134 -7.078 8.131 -8.194 1.00 0.00 H new ATOM 0 HG2 GLU B 134 -6.212 7.744 -11.046 1.00 0.00 H new ATOM 0 HG3 GLU B 134 -5.919 6.465 -9.884 1.00 0.00 H new ATOM 995 N GLY B 135 -7.277 10.786 -7.357 1.00 0.00 N ATOM 996 CA GLY B 135 -8.195 11.427 -6.433 1.00 0.00 C ATOM 997 C GLY B 135 -8.608 10.510 -5.300 1.00 0.00 C ATOM 998 O GLY B 135 -9.722 10.609 -4.786 1.00 0.00 O ATOM 0 H GLY B 135 -6.345 10.610 -6.983 1.00 0.00 H new ATOM 0 HA2 GLY B 135 -7.727 12.321 -6.021 1.00 0.00 H new ATOM 0 HA3 GLY B 135 -9.083 11.753 -6.975 1.00 0.00 H new ATOM 1002 N ILE B 136 -7.708 9.614 -4.910 1.00 0.00 N ATOM 1003 CA ILE B 136 -7.982 8.673 -3.831 1.00 0.00 C ATOM 1004 C ILE B 136 -7.512 9.229 -2.487 1.00 0.00 C ATOM 1005 O ILE B 136 -6.351 9.612 -2.341 1.00 0.00 O ATOM 1006 CB ILE B 136 -7.295 7.317 -4.081 1.00 0.00 C ATOM 1007 CG1 ILE B 136 -7.600 6.818 -5.494 1.00 0.00 C ATOM 1008 CG2 ILE B 136 -7.742 6.297 -3.045 1.00 0.00 C ATOM 1009 CD1 ILE B 136 -6.600 5.804 -6.006 1.00 0.00 C ATOM 0 H ILE B 136 -6.781 9.520 -5.326 1.00 0.00 H new ATOM 0 HA ILE B 136 -9.062 8.525 -3.804 1.00 0.00 H new ATOM 0 HB ILE B 136 -6.217 7.451 -3.989 1.00 0.00 H new ATOM 0 HG12 ILE B 136 -8.595 6.373 -5.507 1.00 0.00 H new ATOM 0 HG13 ILE B 136 -7.623 7.669 -6.174 1.00 0.00 H new ATOM 0 HG21 ILE B 136 -7.248 5.344 -3.235 1.00 0.00 H new ATOM 0 HG22 ILE B 136 -7.477 6.650 -2.049 1.00 0.00 H new ATOM 0 HG23 ILE B 136 -8.822 6.164 -3.108 1.00 0.00 H new ATOM 0 HD11 ILE B 136 -6.879 5.494 -7.013 1.00 0.00 H new ATOM 0 HD12 ILE B 136 -5.606 6.251 -6.026 1.00 0.00 H new ATOM 0 HD13 ILE B 136 -6.594 4.935 -5.348 1.00 0.00 H new ATOM 1021 N PRO B 137 -8.406 9.284 -1.482 1.00 0.00 N ATOM 1022 CA PRO B 137 -8.065 9.800 -0.152 1.00 0.00 C ATOM 1023 C PRO B 137 -6.926 9.019 0.501 1.00 0.00 C ATOM 1024 O PRO B 137 -6.857 7.796 0.385 1.00 0.00 O ATOM 1025 CB PRO B 137 -9.358 9.628 0.657 1.00 0.00 C ATOM 1026 CG PRO B 137 -10.180 8.655 -0.118 1.00 0.00 C ATOM 1027 CD PRO B 137 -9.811 8.852 -1.558 1.00 0.00 C ATOM 0 HA PRO B 137 -7.717 10.832 -0.203 1.00 0.00 H new ATOM 0 HB2 PRO B 137 -9.148 9.255 1.659 1.00 0.00 H new ATOM 0 HB3 PRO B 137 -9.879 10.578 0.773 1.00 0.00 H new ATOM 0 HG2 PRO B 137 -9.976 7.633 0.200 1.00 0.00 H new ATOM 0 HG3 PRO B 137 -11.244 8.832 0.039 1.00 0.00 H new ATOM 0 HD2 PRO B 137 -9.920 7.932 -2.132 1.00 0.00 H new ATOM 0 HD3 PRO B 137 -10.439 9.603 -2.037 1.00 0.00 H new ATOM 1035 N PRO B 138 -6.018 9.718 1.205 1.00 0.00 N ATOM 1036 CA PRO B 138 -4.883 9.080 1.882 1.00 0.00 C ATOM 1037 C PRO B 138 -5.327 8.232 3.064 1.00 0.00 C ATOM 1038 O PRO B 138 -4.739 7.191 3.357 1.00 0.00 O ATOM 1039 CB PRO B 138 -4.048 10.265 2.368 1.00 0.00 C ATOM 1040 CG PRO B 138 -5.021 11.384 2.500 1.00 0.00 C ATOM 1041 CD PRO B 138 -6.029 11.179 1.405 1.00 0.00 C ATOM 0 HA PRO B 138 -4.343 8.401 1.222 1.00 0.00 H new ATOM 0 HB2 PRO B 138 -3.566 10.045 3.320 1.00 0.00 H new ATOM 0 HB3 PRO B 138 -3.257 10.509 1.659 1.00 0.00 H new ATOM 0 HG2 PRO B 138 -5.499 11.373 3.479 1.00 0.00 H new ATOM 0 HG3 PRO B 138 -4.524 12.349 2.399 1.00 0.00 H new ATOM 0 HD2 PRO B 138 -7.017 11.538 1.695 1.00 0.00 H new ATOM 0 HD3 PRO B 138 -5.750 11.712 0.496 1.00 0.00 H new ATOM 1049 N ASP B 139 -6.372 8.691 3.737 1.00 0.00 N ATOM 1050 CA ASP B 139 -6.911 7.984 4.893 1.00 0.00 C ATOM 1051 C ASP B 139 -7.484 6.635 4.476 1.00 0.00 C ATOM 1052 O ASP B 139 -7.448 5.670 5.238 1.00 0.00 O ATOM 1053 CB ASP B 139 -7.994 8.824 5.573 1.00 0.00 C ATOM 1054 CG ASP B 139 -7.414 9.882 6.491 1.00 0.00 C ATOM 1055 OD1 ASP B 139 -6.888 10.891 5.975 1.00 0.00 O ATOM 1056 OD2 ASP B 139 -7.485 9.702 7.725 1.00 0.00 O ATOM 0 H ASP B 139 -6.866 9.552 3.503 1.00 0.00 H new ATOM 0 HA ASP B 139 -6.099 7.815 5.600 1.00 0.00 H new ATOM 0 HB2 ASP B 139 -8.608 9.305 4.812 1.00 0.00 H new ATOM 0 HB3 ASP B 139 -8.651 8.170 6.146 1.00 0.00 H new ATOM 1061 N GLN B 140 -8.007 6.578 3.257 1.00 0.00 N ATOM 1062 CA GLN B 140 -8.585 5.351 2.728 1.00 0.00 C ATOM 1063 C GLN B 140 -7.530 4.529 1.992 1.00 0.00 C ATOM 1064 O GLN B 140 -7.648 3.309 1.878 1.00 0.00 O ATOM 1065 CB GLN B 140 -9.746 5.678 1.788 1.00 0.00 C ATOM 1066 CG GLN B 140 -10.960 4.799 1.998 1.00 0.00 C ATOM 1067 CD GLN B 140 -12.210 5.382 1.375 1.00 0.00 C ATOM 1068 OE1 GLN B 140 -12.590 4.862 0.214 1.00 0.00 O flip ATOM 1069 NE2 GLN B 140 -12.830 6.289 1.931 1.00 0.00 N flip ATOM 0 H GLN B 140 -8.042 7.370 2.616 1.00 0.00 H new ATOM 0 HA GLN B 140 -8.960 4.760 3.564 1.00 0.00 H new ATOM 0 HB2 GLN B 140 -10.033 6.720 1.928 1.00 0.00 H new ATOM 0 HB3 GLN B 140 -9.408 5.576 0.757 1.00 0.00 H new ATOM 0 HG2 GLN B 140 -10.770 3.814 1.571 1.00 0.00 H new ATOM 0 HG3 GLN B 140 -11.122 4.657 3.067 1.00 0.00 H new ATOM 0 HE21 GLN B 140 -12.502 6.659 2.823 1.00 0.00 H new ATOM 0 HE22 GLN B 140 -13.672 6.670 1.499 1.00 0.00 H new ATOM 1078 N GLN B 141 -6.499 5.207 1.494 1.00 0.00 N ATOM 1079 CA GLN B 141 -5.425 4.540 0.768 1.00 0.00 C ATOM 1080 C GLN B 141 -4.670 3.572 1.674 1.00 0.00 C ATOM 1081 O GLN B 141 -4.291 3.918 2.793 1.00 0.00 O ATOM 1082 CB GLN B 141 -4.457 5.573 0.189 1.00 0.00 C ATOM 1083 CG GLN B 141 -4.835 6.048 -1.204 1.00 0.00 C ATOM 1084 CD GLN B 141 -3.644 6.566 -1.986 1.00 0.00 C ATOM 1085 OE1 GLN B 141 -2.699 5.828 -2.262 1.00 0.00 O ATOM 1086 NE2 GLN B 141 -3.684 7.844 -2.347 1.00 0.00 N ATOM 0 H GLN B 141 -6.386 6.217 1.581 1.00 0.00 H new ATOM 0 HA GLN B 141 -5.872 3.970 -0.047 1.00 0.00 H new ATOM 0 HB2 GLN B 141 -4.414 6.433 0.858 1.00 0.00 H new ATOM 0 HB3 GLN B 141 -3.456 5.143 0.158 1.00 0.00 H new ATOM 0 HG2 GLN B 141 -5.295 5.226 -1.752 1.00 0.00 H new ATOM 0 HG3 GLN B 141 -5.584 6.836 -1.124 1.00 0.00 H new ATOM 0 HE21 GLN B 141 -4.488 8.420 -2.097 1.00 0.00 H new ATOM 0 HE22 GLN B 141 -2.911 8.249 -2.875 1.00 0.00 H new ATOM 1095 N ARG B 142 -4.448 2.359 1.177 1.00 0.00 N ATOM 1096 CA ARG B 142 -3.731 1.338 1.931 1.00 0.00 C ATOM 1097 C ARG B 142 -2.509 0.865 1.152 1.00 0.00 C ATOM 1098 O ARG B 142 -2.628 0.110 0.187 1.00 0.00 O ATOM 1099 CB ARG B 142 -4.653 0.155 2.238 1.00 0.00 C ATOM 1100 CG ARG B 142 -5.102 0.096 3.689 1.00 0.00 C ATOM 1101 CD ARG B 142 -5.997 1.271 4.047 1.00 0.00 C ATOM 1102 NE ARG B 142 -5.291 2.274 4.841 1.00 0.00 N ATOM 1103 CZ ARG B 142 -5.897 3.148 5.643 1.00 0.00 C ATOM 1104 NH1 ARG B 142 -7.220 3.150 5.758 1.00 0.00 N ATOM 1105 NH2 ARG B 142 -5.178 4.025 6.331 1.00 0.00 N ATOM 0 H ARG B 142 -4.756 2.059 0.252 1.00 0.00 H new ATOM 0 HA ARG B 142 -3.398 1.773 2.873 1.00 0.00 H new ATOM 0 HB2 ARG B 142 -5.532 0.214 1.596 1.00 0.00 H new ATOM 0 HB3 ARG B 142 -4.137 -0.772 1.988 1.00 0.00 H new ATOM 0 HG2 ARG B 142 -5.637 -0.837 3.867 1.00 0.00 H new ATOM 0 HG3 ARG B 142 -4.228 0.092 4.341 1.00 0.00 H new ATOM 0 HD2 ARG B 142 -6.374 1.731 3.134 1.00 0.00 H new ATOM 0 HD3 ARG B 142 -6.862 0.911 4.604 1.00 0.00 H new ATOM 0 HE ARG B 142 -4.274 2.307 4.777 1.00 0.00 H new ATOM 0 HH11 ARG B 142 -7.779 2.479 5.230 1.00 0.00 H new ATOM 0 HH12 ARG B 142 -7.677 3.822 6.374 1.00 0.00 H new ATOM 0 HH21 ARG B 142 -4.162 4.030 6.246 1.00 0.00 H new ATOM 0 HH22 ARG B 142 -5.642 4.694 6.945 1.00 0.00 H new ATOM 1119 N LEU B 143 -1.336 1.324 1.571 1.00 0.00 N ATOM 1120 CA LEU B 143 -0.091 0.961 0.912 1.00 0.00 C ATOM 1121 C LEU B 143 0.457 -0.353 1.457 1.00 0.00 C ATOM 1122 O LEU B 143 0.662 -0.507 2.661 1.00 0.00 O ATOM 1123 CB LEU B 143 0.945 2.074 1.080 1.00 0.00 C ATOM 1124 CG LEU B 143 0.966 3.112 -0.044 1.00 0.00 C ATOM 1125 CD1 LEU B 143 2.079 4.125 0.183 1.00 0.00 C ATOM 1126 CD2 LEU B 143 1.129 2.430 -1.395 1.00 0.00 C ATOM 0 H LEU B 143 -1.223 1.951 2.368 1.00 0.00 H new ATOM 0 HA LEU B 143 -0.300 0.828 -0.150 1.00 0.00 H new ATOM 0 HB2 LEU B 143 0.757 2.586 2.024 1.00 0.00 H new ATOM 0 HB3 LEU B 143 1.934 1.621 1.155 1.00 0.00 H new ATOM 0 HG LEU B 143 0.015 3.644 -0.040 1.00 0.00 H new ATOM 0 HD11 LEU B 143 2.078 4.855 -0.627 1.00 0.00 H new ATOM 0 HD12 LEU B 143 1.918 4.636 1.132 1.00 0.00 H new ATOM 0 HD13 LEU B 143 3.040 3.611 0.206 1.00 0.00 H new ATOM 0 HD21 LEU B 143 1.142 3.183 -2.183 1.00 0.00 H new ATOM 0 HD22 LEU B 143 2.065 1.872 -1.410 1.00 0.00 H new ATOM 0 HD23 LEU B 143 0.297 1.746 -1.560 1.00 0.00 H new ATOM 1138 N ILE B 144 0.687 -1.294 0.553 1.00 0.00 N ATOM 1139 CA ILE B 144 1.209 -2.606 0.916 1.00 0.00 C ATOM 1140 C ILE B 144 2.654 -2.772 0.456 1.00 0.00 C ATOM 1141 O ILE B 144 2.951 -2.652 -0.733 1.00 0.00 O ATOM 1142 CB ILE B 144 0.355 -3.729 0.296 1.00 0.00 C ATOM 1143 CG1 ILE B 144 -1.135 -3.484 0.563 1.00 0.00 C ATOM 1144 CG2 ILE B 144 0.784 -5.082 0.838 1.00 0.00 C ATOM 1145 CD1 ILE B 144 -1.450 -3.127 2.001 1.00 0.00 C ATOM 0 H ILE B 144 0.519 -1.173 -0.446 1.00 0.00 H new ATOM 0 HA ILE B 144 1.169 -2.677 2.003 1.00 0.00 H new ATOM 0 HB ILE B 144 0.511 -3.727 -0.783 1.00 0.00 H new ATOM 0 HG12 ILE B 144 -1.483 -2.680 -0.085 1.00 0.00 H new ATOM 0 HG13 ILE B 144 -1.695 -4.378 0.290 1.00 0.00 H new ATOM 0 HG21 ILE B 144 0.171 -5.864 0.390 1.00 0.00 H new ATOM 0 HG22 ILE B 144 1.832 -5.257 0.593 1.00 0.00 H new ATOM 0 HG23 ILE B 144 0.658 -5.097 1.921 1.00 0.00 H new ATOM 0 HD11 ILE B 144 -2.523 -2.969 2.110 1.00 0.00 H new ATOM 0 HD12 ILE B 144 -1.135 -3.940 2.655 1.00 0.00 H new ATOM 0 HD13 ILE B 144 -0.919 -2.215 2.274 1.00 0.00 H new ATOM 1157 N PHE B 145 3.551 -3.047 1.400 1.00 0.00 N ATOM 1158 CA PHE B 145 4.963 -3.223 1.074 1.00 0.00 C ATOM 1159 C PHE B 145 5.629 -4.260 1.978 1.00 0.00 C ATOM 1160 O PHE B 145 5.637 -4.123 3.201 1.00 0.00 O ATOM 1161 CB PHE B 145 5.700 -1.887 1.183 1.00 0.00 C ATOM 1162 CG PHE B 145 7.157 -1.972 0.823 1.00 0.00 C ATOM 1163 CD1 PHE B 145 7.559 -1.935 -0.503 1.00 0.00 C ATOM 1164 CD2 PHE B 145 8.122 -2.090 1.810 1.00 0.00 C ATOM 1165 CE1 PHE B 145 8.898 -2.013 -0.837 1.00 0.00 C ATOM 1166 CE2 PHE B 145 9.463 -2.168 1.481 1.00 0.00 C ATOM 1167 CZ PHE B 145 9.851 -2.130 0.156 1.00 0.00 C ATOM 0 H PHE B 145 3.327 -3.152 2.390 1.00 0.00 H new ATOM 0 HA PHE B 145 5.021 -3.588 0.049 1.00 0.00 H new ATOM 0 HB2 PHE B 145 5.215 -1.160 0.531 1.00 0.00 H new ATOM 0 HB3 PHE B 145 5.608 -1.513 2.203 1.00 0.00 H new ATOM 0 HD1 PHE B 145 6.818 -1.844 -1.284 1.00 0.00 H new ATOM 0 HD2 PHE B 145 7.824 -2.121 2.848 1.00 0.00 H new ATOM 0 HE1 PHE B 145 9.199 -1.982 -1.874 1.00 0.00 H new ATOM 0 HE2 PHE B 145 10.206 -2.259 2.259 1.00 0.00 H new ATOM 0 HZ PHE B 145 10.898 -2.192 -0.103 1.00 0.00 H new ATOM 1177 N ALA B 146 6.205 -5.286 1.357 1.00 0.00 N ATOM 1178 CA ALA B 146 6.902 -6.346 2.083 1.00 0.00 C ATOM 1179 C ALA B 146 6.039 -6.972 3.177 1.00 0.00 C ATOM 1180 O ALA B 146 6.546 -7.349 4.234 1.00 0.00 O ATOM 1181 CB ALA B 146 8.192 -5.805 2.681 1.00 0.00 C ATOM 0 H ALA B 146 6.203 -5.407 0.344 1.00 0.00 H new ATOM 0 HA ALA B 146 7.129 -7.133 1.364 1.00 0.00 H new ATOM 0 HB1 ALA B 146 8.705 -6.601 3.220 1.00 0.00 H new ATOM 0 HB2 ALA B 146 8.835 -5.434 1.883 1.00 0.00 H new ATOM 0 HB3 ALA B 146 7.961 -4.991 3.369 1.00 0.00 H new ATOM 1187 N GLY B 147 4.740 -7.090 2.924 1.00 0.00 N ATOM 1188 CA GLY B 147 3.851 -7.679 3.902 1.00 0.00 C ATOM 1189 C GLY B 147 3.597 -6.759 5.073 1.00 0.00 C ATOM 1190 O GLY B 147 3.431 -7.213 6.205 1.00 0.00 O ATOM 0 H GLY B 147 4.290 -6.788 2.060 1.00 0.00 H new ATOM 0 HA2 GLY B 147 2.903 -7.927 3.425 1.00 0.00 H new ATOM 0 HA3 GLY B 147 4.280 -8.614 4.263 1.00 0.00 H new ATOM 1194 N LYS B 148 3.568 -5.464 4.805 1.00 0.00 N ATOM 1195 CA LYS B 148 3.330 -4.483 5.846 1.00 0.00 C ATOM 1196 C LYS B 148 2.567 -3.286 5.305 1.00 0.00 C ATOM 1197 O LYS B 148 2.794 -2.845 4.178 1.00 0.00 O ATOM 1198 CB LYS B 148 4.649 -4.021 6.445 1.00 0.00 C ATOM 1199 CG LYS B 148 5.327 -5.066 7.317 1.00 0.00 C ATOM 1200 CD LYS B 148 6.644 -5.530 6.716 1.00 0.00 C ATOM 1201 CE LYS B 148 7.063 -6.882 7.268 1.00 0.00 C ATOM 1202 NZ LYS B 148 6.224 -7.988 6.727 1.00 0.00 N ATOM 0 H LYS B 148 3.707 -5.069 3.875 1.00 0.00 H new ATOM 0 HA LYS B 148 2.727 -4.956 6.621 1.00 0.00 H new ATOM 0 HB2 LYS B 148 5.326 -3.741 5.638 1.00 0.00 H new ATOM 0 HB3 LYS B 148 4.473 -3.124 7.039 1.00 0.00 H new ATOM 0 HG2 LYS B 148 5.506 -4.652 8.309 1.00 0.00 H new ATOM 0 HG3 LYS B 148 4.663 -5.921 7.443 1.00 0.00 H new ATOM 0 HD2 LYS B 148 6.548 -5.592 5.632 1.00 0.00 H new ATOM 0 HD3 LYS B 148 7.420 -4.794 6.926 1.00 0.00 H new ATOM 0 HE2 LYS B 148 8.109 -7.066 7.022 1.00 0.00 H new ATOM 0 HE3 LYS B 148 6.989 -6.869 8.355 1.00 0.00 H new ATOM 0 HZ1 LYS B 148 6.474 -8.878 7.203 1.00 0.00 H new ATOM 0 HZ2 LYS B 148 5.220 -7.776 6.894 1.00 0.00 H new ATOM 0 HZ3 LYS B 148 6.392 -8.083 5.705 1.00 0.00 H new ATOM 1216 N GLN B 149 1.674 -2.754 6.122 1.00 0.00 N ATOM 1217 CA GLN B 149 0.885 -1.589 5.733 1.00 0.00 C ATOM 1218 C GLN B 149 1.648 -0.302 6.037 1.00 0.00 C ATOM 1219 O GLN B 149 1.931 0.007 7.194 1.00 0.00 O ATOM 1220 CB GLN B 149 -0.469 -1.585 6.446 1.00 0.00 C ATOM 1221 CG GLN B 149 -0.369 -1.536 7.962 1.00 0.00 C ATOM 1222 CD GLN B 149 -1.727 -1.534 8.637 1.00 0.00 C ATOM 1223 OE1 GLN B 149 -1.979 -0.745 9.547 1.00 0.00 O ATOM 1224 NE2 GLN B 149 -2.612 -2.421 8.193 1.00 0.00 N ATOM 0 H GLN B 149 1.475 -3.107 7.058 1.00 0.00 H new ATOM 0 HA GLN B 149 0.706 -1.644 4.659 1.00 0.00 H new ATOM 0 HB2 GLN B 149 -1.047 -0.727 6.102 1.00 0.00 H new ATOM 0 HB3 GLN B 149 -1.023 -2.478 6.157 1.00 0.00 H new ATOM 0 HG2 GLN B 149 0.205 -2.394 8.312 1.00 0.00 H new ATOM 0 HG3 GLN B 149 0.181 -0.642 8.257 1.00 0.00 H new ATOM 0 HE21 GLN B 149 -2.361 -3.057 7.436 1.00 0.00 H new ATOM 0 HE22 GLN B 149 -3.542 -2.466 8.609 1.00 0.00 H new ATOM 1233 N LEU B 150 1.988 0.441 4.989 1.00 0.00 N ATOM 1234 CA LEU B 150 2.728 1.690 5.141 1.00 0.00 C ATOM 1235 C LEU B 150 1.892 2.743 5.861 1.00 0.00 C ATOM 1236 O LEU B 150 0.667 2.765 5.746 1.00 0.00 O ATOM 1237 CB LEU B 150 3.169 2.218 3.774 1.00 0.00 C ATOM 1238 CG LEU B 150 3.878 1.198 2.879 1.00 0.00 C ATOM 1239 CD1 LEU B 150 4.447 1.877 1.640 1.00 0.00 C ATOM 1240 CD2 LEU B 150 4.979 0.484 3.651 1.00 0.00 C ATOM 0 H LEU B 150 1.763 0.200 4.024 1.00 0.00 H new ATOM 0 HA LEU B 150 3.611 1.483 5.746 1.00 0.00 H new ATOM 0 HB2 LEU B 150 2.292 2.592 3.247 1.00 0.00 H new ATOM 0 HB3 LEU B 150 3.835 3.067 3.928 1.00 0.00 H new ATOM 0 HG LEU B 150 3.147 0.456 2.558 1.00 0.00 H new ATOM 0 HD11 LEU B 150 4.947 1.136 1.016 1.00 0.00 H new ATOM 0 HD12 LEU B 150 3.638 2.340 1.075 1.00 0.00 H new ATOM 0 HD13 LEU B 150 5.164 2.641 1.941 1.00 0.00 H new ATOM 0 HD21 LEU B 150 5.472 -0.237 2.999 1.00 0.00 H new ATOM 0 HD22 LEU B 150 5.709 1.213 4.002 1.00 0.00 H new ATOM 0 HD23 LEU B 150 4.546 -0.036 4.505 1.00 0.00 H new ATOM 1252 N GLU B 151 2.566 3.619 6.602 1.00 0.00 N ATOM 1253 CA GLU B 151 1.897 4.678 7.338 1.00 0.00 C ATOM 1254 C GLU B 151 2.169 6.031 6.695 1.00 0.00 C ATOM 1255 O GLU B 151 3.259 6.281 6.180 1.00 0.00 O ATOM 1256 CB GLU B 151 2.357 4.687 8.796 1.00 0.00 C ATOM 1257 CG GLU B 151 1.353 4.069 9.756 1.00 0.00 C ATOM 1258 CD GLU B 151 1.852 4.049 11.187 1.00 0.00 C ATOM 1259 OE1 GLU B 151 2.137 5.136 11.733 1.00 0.00 O ATOM 1260 OE2 GLU B 151 1.958 2.946 11.763 1.00 0.00 O ATOM 0 H GLU B 151 3.581 3.612 6.706 1.00 0.00 H new ATOM 0 HA GLU B 151 0.824 4.489 7.310 1.00 0.00 H new ATOM 0 HB2 GLU B 151 3.301 4.147 8.874 1.00 0.00 H new ATOM 0 HB3 GLU B 151 2.552 5.715 9.100 1.00 0.00 H new ATOM 0 HG2 GLU B 151 0.419 4.628 9.709 1.00 0.00 H new ATOM 0 HG3 GLU B 151 1.131 3.050 9.438 1.00 0.00 H new ATOM 1267 N ASP B 152 1.167 6.893 6.730 1.00 0.00 N ATOM 1268 CA ASP B 152 1.267 8.226 6.154 1.00 0.00 C ATOM 1269 C ASP B 152 2.280 9.085 6.908 1.00 0.00 C ATOM 1270 O ASP B 152 2.842 10.029 6.352 1.00 0.00 O ATOM 1271 CB ASP B 152 -0.107 8.897 6.175 1.00 0.00 C ATOM 1272 CG ASP B 152 -0.432 9.603 4.874 1.00 0.00 C ATOM 1273 OD1 ASP B 152 -0.445 8.930 3.822 1.00 0.00 O ATOM 1274 OD2 ASP B 152 -0.677 10.827 4.908 1.00 0.00 O ATOM 0 H ASP B 152 0.263 6.691 7.157 1.00 0.00 H new ATOM 0 HA ASP B 152 1.613 8.129 5.125 1.00 0.00 H new ATOM 0 HB2 ASP B 152 -0.871 8.146 6.377 1.00 0.00 H new ATOM 0 HB3 ASP B 152 -0.143 9.616 6.993 1.00 0.00 H new ATOM 1279 N GLY B 153 2.507 8.757 8.176 1.00 0.00 N ATOM 1280 CA GLY B 153 3.447 9.517 8.980 1.00 0.00 C ATOM 1281 C GLY B 153 4.864 8.974 8.913 1.00 0.00 C ATOM 1282 O GLY B 153 5.788 9.578 9.458 1.00 0.00 O ATOM 0 H GLY B 153 2.058 7.980 8.661 1.00 0.00 H new ATOM 0 HA2 GLY B 153 3.446 10.555 8.646 1.00 0.00 H new ATOM 0 HA3 GLY B 153 3.113 9.516 10.017 1.00 0.00 H new ATOM 1286 N ARG B 154 5.041 7.833 8.253 1.00 0.00 N ATOM 1287 CA ARG B 154 6.343 7.218 8.129 1.00 0.00 C ATOM 1288 C ARG B 154 7.111 7.791 6.947 1.00 0.00 C ATOM 1289 O ARG B 154 6.684 8.757 6.316 1.00 0.00 O ATOM 1290 CB ARG B 154 6.180 5.715 7.960 1.00 0.00 C ATOM 1291 CG ARG B 154 6.398 4.930 9.241 1.00 0.00 C ATOM 1292 CD ARG B 154 5.375 5.302 10.303 1.00 0.00 C ATOM 1293 NE ARG B 154 5.974 5.385 11.633 1.00 0.00 N ATOM 1294 CZ ARG B 154 5.390 5.975 12.674 1.00 0.00 C ATOM 1295 NH1 ARG B 154 4.193 6.534 12.543 1.00 0.00 N ATOM 1296 NH2 ARG B 154 6.003 6.006 13.849 1.00 0.00 N ATOM 0 H ARG B 154 4.288 7.319 7.796 1.00 0.00 H new ATOM 0 HA ARG B 154 6.911 7.428 9.035 1.00 0.00 H new ATOM 0 HB2 ARG B 154 5.179 5.507 7.583 1.00 0.00 H new ATOM 0 HB3 ARG B 154 6.884 5.365 7.205 1.00 0.00 H new ATOM 0 HG2 ARG B 154 6.334 3.862 9.030 1.00 0.00 H new ATOM 0 HG3 ARG B 154 7.402 5.120 9.619 1.00 0.00 H new ATOM 0 HD2 ARG B 154 4.921 6.260 10.049 1.00 0.00 H new ATOM 0 HD3 ARG B 154 4.575 4.562 10.311 1.00 0.00 H new ATOM 0 HE ARG B 154 6.894 4.966 11.772 1.00 0.00 H new ATOM 0 HH11 ARG B 154 3.716 6.513 11.642 1.00 0.00 H new ATOM 0 HH12 ARG B 154 3.750 6.985 13.344 1.00 0.00 H new ATOM 0 HH21 ARG B 154 6.923 5.578 13.956 1.00 0.00 H new ATOM 0 HH22 ARG B 154 5.555 6.458 14.646 1.00 0.00 H new ATOM 1310 N THR B 155 8.248 7.178 6.657 1.00 0.00 N ATOM 1311 CA THR B 155 9.095 7.606 5.551 1.00 0.00 C ATOM 1312 C THR B 155 9.346 6.453 4.584 1.00 0.00 C ATOM 1313 O THR B 155 9.272 5.284 4.963 1.00 0.00 O ATOM 1314 CB THR B 155 10.426 8.149 6.078 1.00 0.00 C ATOM 1315 OG1 THR B 155 10.672 7.684 7.393 1.00 0.00 O ATOM 1316 CG2 THR B 155 10.484 9.661 6.108 1.00 0.00 C ATOM 0 H THR B 155 8.609 6.377 7.175 1.00 0.00 H new ATOM 0 HA THR B 155 8.577 8.401 5.014 1.00 0.00 H new ATOM 0 HB THR B 155 11.183 7.785 5.383 1.00 0.00 H new ATOM 0 HG1 THR B 155 11.528 8.040 7.711 1.00 0.00 H new ATOM 0 HG21 THR B 155 11.453 9.980 6.491 1.00 0.00 H new ATOM 0 HG22 THR B 155 10.347 10.050 5.099 1.00 0.00 H new ATOM 0 HG23 THR B 155 9.694 10.043 6.755 1.00 0.00 H new ATOM 1324 N LEU B 156 9.645 6.791 3.334 1.00 0.00 N ATOM 1325 CA LEU B 156 9.910 5.787 2.312 1.00 0.00 C ATOM 1326 C LEU B 156 11.099 4.919 2.709 1.00 0.00 C ATOM 1327 O LEU B 156 11.106 3.710 2.475 1.00 0.00 O ATOM 1328 CB LEU B 156 10.174 6.464 0.965 1.00 0.00 C ATOM 1329 CG LEU B 156 8.977 6.501 0.012 1.00 0.00 C ATOM 1330 CD1 LEU B 156 9.379 7.105 -1.325 1.00 0.00 C ATOM 1331 CD2 LEU B 156 8.407 5.105 -0.184 1.00 0.00 C ATOM 0 H LEU B 156 9.710 7.754 3.005 1.00 0.00 H new ATOM 0 HA LEU B 156 9.033 5.147 2.219 1.00 0.00 H new ATOM 0 HB2 LEU B 156 10.505 7.486 1.148 1.00 0.00 H new ATOM 0 HB3 LEU B 156 10.996 5.947 0.471 1.00 0.00 H new ATOM 0 HG LEU B 156 8.204 7.129 0.455 1.00 0.00 H new ATOM 0 HD11 LEU B 156 8.516 7.123 -1.990 1.00 0.00 H new ATOM 0 HD12 LEU B 156 9.740 8.122 -1.171 1.00 0.00 H new ATOM 0 HD13 LEU B 156 10.170 6.503 -1.773 1.00 0.00 H new ATOM 0 HD21 LEU B 156 7.557 5.151 -0.865 1.00 0.00 H new ATOM 0 HD22 LEU B 156 9.174 4.455 -0.605 1.00 0.00 H new ATOM 0 HD23 LEU B 156 8.081 4.707 0.777 1.00 0.00 H new ATOM 1343 N SER B 157 12.097 5.544 3.323 1.00 0.00 N ATOM 1344 CA SER B 157 13.286 4.834 3.769 1.00 0.00 C ATOM 1345 C SER B 157 13.003 4.092 5.071 1.00 0.00 C ATOM 1346 O SER B 157 13.684 3.123 5.405 1.00 0.00 O ATOM 1347 CB SER B 157 14.453 5.808 3.956 1.00 0.00 C ATOM 1348 OG SER B 157 15.390 5.315 4.899 1.00 0.00 O ATOM 0 H SER B 157 12.104 6.544 3.523 1.00 0.00 H new ATOM 0 HA SER B 157 13.561 4.107 3.005 1.00 0.00 H new ATOM 0 HB2 SER B 157 14.949 5.972 2.999 1.00 0.00 H new ATOM 0 HB3 SER B 157 14.073 6.774 4.288 1.00 0.00 H new ATOM 0 HG SER B 157 16.124 5.957 4.997 1.00 0.00 H new ATOM 1354 N ASP B 158 11.982 4.545 5.798 1.00 0.00 N ATOM 1355 CA ASP B 158 11.604 3.909 7.052 1.00 0.00 C ATOM 1356 C ASP B 158 11.220 2.456 6.804 1.00 0.00 C ATOM 1357 O ASP B 158 11.433 1.589 7.651 1.00 0.00 O ATOM 1358 CB ASP B 158 10.436 4.659 7.697 1.00 0.00 C ATOM 1359 CG ASP B 158 10.755 5.131 9.102 1.00 0.00 C ATOM 1360 OD1 ASP B 158 11.692 5.943 9.256 1.00 0.00 O ATOM 1361 OD2 ASP B 158 10.069 4.689 10.047 1.00 0.00 O ATOM 0 H ASP B 158 11.406 5.346 5.539 1.00 0.00 H new ATOM 0 HA ASP B 158 12.456 3.940 7.731 1.00 0.00 H new ATOM 0 HB2 ASP B 158 10.174 5.518 7.079 1.00 0.00 H new ATOM 0 HB3 ASP B 158 9.562 4.009 7.725 1.00 0.00 H new ATOM 1366 N TYR B 159 10.657 2.202 5.627 1.00 0.00 N ATOM 1367 CA TYR B 159 10.245 0.863 5.244 1.00 0.00 C ATOM 1368 C TYR B 159 11.320 0.181 4.399 1.00 0.00 C ATOM 1369 O TYR B 159 11.248 -1.022 4.154 1.00 0.00 O ATOM 1370 CB TYR B 159 8.930 0.928 4.469 1.00 0.00 C ATOM 1371 CG TYR B 159 7.710 0.718 5.335 1.00 0.00 C ATOM 1372 CD1 TYR B 159 7.134 1.778 6.025 1.00 0.00 C ATOM 1373 CD2 TYR B 159 7.135 -0.539 5.465 1.00 0.00 C ATOM 1374 CE1 TYR B 159 6.020 1.590 6.820 1.00 0.00 C ATOM 1375 CE2 TYR B 159 6.021 -0.735 6.258 1.00 0.00 C ATOM 1376 CZ TYR B 159 5.467 0.332 6.933 1.00 0.00 C ATOM 1377 OH TYR B 159 4.358 0.140 7.725 1.00 0.00 O ATOM 0 H TYR B 159 10.476 2.914 4.920 1.00 0.00 H new ATOM 0 HA TYR B 159 10.101 0.274 6.150 1.00 0.00 H new ATOM 0 HB2 TYR B 159 8.854 1.898 3.978 1.00 0.00 H new ATOM 0 HB3 TYR B 159 8.943 0.173 3.683 1.00 0.00 H new ATOM 0 HD1 TYR B 159 7.564 2.765 5.938 1.00 0.00 H new ATOM 0 HD2 TYR B 159 7.566 -1.377 4.938 1.00 0.00 H new ATOM 0 HE1 TYR B 159 5.585 2.424 7.350 1.00 0.00 H new ATOM 0 HE2 TYR B 159 5.586 -1.719 6.349 1.00 0.00 H new ATOM 0 HH TYR B 159 3.687 -0.374 7.229 1.00 0.00 H new ATOM 1387 N ASN B 160 12.310 0.964 3.955 1.00 0.00 N ATOM 1388 CA ASN B 160 13.410 0.459 3.134 1.00 0.00 C ATOM 1389 C ASN B 160 13.002 0.397 1.668 1.00 0.00 C ATOM 1390 O ASN B 160 13.194 -0.617 0.996 1.00 0.00 O ATOM 1391 CB ASN B 160 13.875 -0.916 3.616 1.00 0.00 C ATOM 1392 CG ASN B 160 15.069 -1.431 2.835 1.00 0.00 C ATOM 1393 OD1 ASN B 160 16.037 -0.705 2.609 1.00 0.00 O ATOM 1394 ND2 ASN B 160 15.005 -2.690 2.417 1.00 0.00 N ATOM 0 H ASN B 160 12.369 1.962 4.155 1.00 0.00 H new ATOM 0 HA ASN B 160 14.245 1.152 3.234 1.00 0.00 H new ATOM 0 HB2 ASN B 160 14.134 -0.859 4.673 1.00 0.00 H new ATOM 0 HB3 ASN B 160 13.053 -1.626 3.527 1.00 0.00 H new ATOM 0 HD21 ASN B 160 15.778 -3.091 1.886 1.00 0.00 H new ATOM 0 HD22 ASN B 160 14.183 -3.256 2.627 1.00 0.00 H new ATOM 1401 N ILE B 161 12.442 1.497 1.184 1.00 0.00 N ATOM 1402 CA ILE B 161 12.004 1.593 -0.200 1.00 0.00 C ATOM 1403 C ILE B 161 13.073 2.271 -1.054 1.00 0.00 C ATOM 1404 O ILE B 161 13.693 3.245 -0.629 1.00 0.00 O ATOM 1405 CB ILE B 161 10.678 2.378 -0.301 1.00 0.00 C ATOM 1406 CG1 ILE B 161 9.541 1.578 0.337 1.00 0.00 C ATOM 1407 CG2 ILE B 161 10.348 2.709 -1.751 1.00 0.00 C ATOM 1408 CD1 ILE B 161 8.585 2.427 1.147 1.00 0.00 C ATOM 0 H ILE B 161 12.280 2.340 1.734 1.00 0.00 H new ATOM 0 HA ILE B 161 11.841 0.582 -0.573 1.00 0.00 H new ATOM 0 HB ILE B 161 10.795 3.317 0.240 1.00 0.00 H new ATOM 0 HG12 ILE B 161 8.984 1.065 -0.447 1.00 0.00 H new ATOM 0 HG13 ILE B 161 9.966 0.808 0.981 1.00 0.00 H new ATOM 0 HG21 ILE B 161 9.410 3.262 -1.794 1.00 0.00 H new ATOM 0 HG22 ILE B 161 11.147 3.317 -2.176 1.00 0.00 H new ATOM 0 HG23 ILE B 161 10.251 1.786 -2.322 1.00 0.00 H new ATOM 0 HD11 ILE B 161 7.805 1.794 1.570 1.00 0.00 H new ATOM 0 HD12 ILE B 161 9.129 2.919 1.953 1.00 0.00 H new ATOM 0 HD13 ILE B 161 8.132 3.180 0.502 1.00 0.00 H new ATOM 1420 N GLN B 162 13.288 1.746 -2.255 1.00 0.00 N ATOM 1421 CA GLN B 162 14.289 2.299 -3.160 1.00 0.00 C ATOM 1422 C GLN B 162 13.650 2.790 -4.455 1.00 0.00 C ATOM 1423 O GLN B 162 12.426 2.816 -4.587 1.00 0.00 O ATOM 1424 CB GLN B 162 15.359 1.252 -3.472 1.00 0.00 C ATOM 1425 CG GLN B 162 15.851 0.500 -2.245 1.00 0.00 C ATOM 1426 CD GLN B 162 16.340 1.428 -1.151 1.00 0.00 C ATOM 1427 OE1 GLN B 162 17.031 2.411 -1.417 1.00 0.00 O ATOM 1428 NE2 GLN B 162 15.984 1.119 0.090 1.00 0.00 N ATOM 0 H GLN B 162 12.784 0.940 -2.624 1.00 0.00 H new ATOM 0 HA GLN B 162 14.755 3.150 -2.664 1.00 0.00 H new ATOM 0 HB2 GLN B 162 14.957 0.537 -4.189 1.00 0.00 H new ATOM 0 HB3 GLN B 162 16.206 1.742 -3.951 1.00 0.00 H new ATOM 0 HG2 GLN B 162 15.044 -0.121 -1.856 1.00 0.00 H new ATOM 0 HG3 GLN B 162 16.659 -0.172 -2.535 1.00 0.00 H new ATOM 0 HE21 GLN B 162 15.410 0.294 0.266 1.00 0.00 H new ATOM 0 HE22 GLN B 162 16.284 1.706 0.868 1.00 0.00 H new ATOM 1437 N LYS B 163 14.491 3.179 -5.408 1.00 0.00 N ATOM 1438 CA LYS B 163 14.015 3.674 -6.696 1.00 0.00 C ATOM 1439 C LYS B 163 13.338 2.563 -7.492 1.00 0.00 C ATOM 1440 O LYS B 163 13.735 1.400 -7.416 1.00 0.00 O ATOM 1441 CB LYS B 163 15.177 4.257 -7.507 1.00 0.00 C ATOM 1442 CG LYS B 163 16.197 5.010 -6.667 1.00 0.00 C ATOM 1443 CD LYS B 163 16.907 6.080 -7.481 1.00 0.00 C ATOM 1444 CE LYS B 163 18.276 5.610 -7.945 1.00 0.00 C ATOM 1445 NZ LYS B 163 18.178 4.615 -9.049 1.00 0.00 N ATOM 0 H LYS B 163 15.506 3.161 -5.313 1.00 0.00 H new ATOM 0 HA LYS B 163 13.283 4.459 -6.503 1.00 0.00 H new ATOM 0 HB2 LYS B 163 15.682 3.447 -8.034 1.00 0.00 H new ATOM 0 HB3 LYS B 163 14.777 4.930 -8.265 1.00 0.00 H new ATOM 0 HG2 LYS B 163 15.699 5.471 -5.814 1.00 0.00 H new ATOM 0 HG3 LYS B 163 16.930 4.309 -6.267 1.00 0.00 H new ATOM 0 HD2 LYS B 163 16.299 6.344 -8.346 1.00 0.00 H new ATOM 0 HD3 LYS B 163 17.015 6.983 -6.881 1.00 0.00 H new ATOM 0 HE2 LYS B 163 18.860 6.467 -8.280 1.00 0.00 H new ATOM 0 HE3 LYS B 163 18.812 5.168 -7.105 1.00 0.00 H new ATOM 0 HZ1 LYS B 163 19.132 4.384 -9.393 1.00 0.00 H new ATOM 0 HZ2 LYS B 163 17.718 3.751 -8.698 1.00 0.00 H new ATOM 0 HZ3 LYS B 163 17.616 5.015 -9.828 1.00 0.00 H new ATOM 1459 N GLU B 164 12.317 2.932 -8.259 1.00 0.00 N ATOM 1460 CA GLU B 164 11.584 1.971 -9.075 1.00 0.00 C ATOM 1461 C GLU B 164 10.885 0.929 -8.207 1.00 0.00 C ATOM 1462 O GLU B 164 10.626 -0.189 -8.654 1.00 0.00 O ATOM 1463 CB GLU B 164 12.531 1.284 -10.060 1.00 0.00 C ATOM 1464 CG GLU B 164 12.131 1.470 -11.510 1.00 0.00 C ATOM 1465 CD GLU B 164 12.214 0.183 -12.310 1.00 0.00 C ATOM 1466 OE1 GLU B 164 13.269 -0.483 -12.260 1.00 0.00 O ATOM 1467 OE2 GLU B 164 11.223 -0.160 -12.990 1.00 0.00 O ATOM 0 H GLU B 164 11.978 3.891 -8.332 1.00 0.00 H new ATOM 0 HA GLU B 164 10.821 2.515 -9.632 1.00 0.00 H new ATOM 0 HB2 GLU B 164 13.539 1.674 -9.916 1.00 0.00 H new ATOM 0 HB3 GLU B 164 12.567 0.218 -9.835 1.00 0.00 H new ATOM 0 HG2 GLU B 164 11.113 1.856 -11.555 1.00 0.00 H new ATOM 0 HG3 GLU B 164 12.777 2.220 -11.967 1.00 0.00 H new ATOM 1474 N SER B 165 10.578 1.299 -6.968 1.00 0.00 N ATOM 1475 CA SER B 165 9.904 0.390 -6.049 1.00 0.00 C ATOM 1476 C SER B 165 8.546 -0.026 -6.606 1.00 0.00 C ATOM 1477 O SER B 165 8.100 0.494 -7.628 1.00 0.00 O ATOM 1478 CB SER B 165 9.732 1.049 -4.679 1.00 0.00 C ATOM 1479 OG SER B 165 8.772 0.360 -3.897 1.00 0.00 O ATOM 0 H SER B 165 10.784 2.219 -6.578 1.00 0.00 H new ATOM 0 HA SER B 165 10.520 -0.502 -5.935 1.00 0.00 H new ATOM 0 HB2 SER B 165 10.688 1.063 -4.156 1.00 0.00 H new ATOM 0 HB3 SER B 165 9.424 2.087 -4.808 1.00 0.00 H new ATOM 0 HG SER B 165 9.194 0.033 -3.075 1.00 0.00 H new ATOM 1485 N THR B 166 7.894 -0.966 -5.931 1.00 0.00 N ATOM 1486 CA THR B 166 6.589 -1.449 -6.366 1.00 0.00 C ATOM 1487 C THR B 166 5.644 -1.622 -5.181 1.00 0.00 C ATOM 1488 O THR B 166 5.775 -2.566 -4.402 1.00 0.00 O ATOM 1489 CB THR B 166 6.736 -2.775 -7.112 1.00 0.00 C ATOM 1490 OG1 THR B 166 7.651 -2.647 -8.186 1.00 0.00 O ATOM 1491 CG2 THR B 166 5.432 -3.291 -7.679 1.00 0.00 C ATOM 0 H THR B 166 8.247 -1.408 -5.082 1.00 0.00 H new ATOM 0 HA THR B 166 6.163 -0.705 -7.039 1.00 0.00 H new ATOM 0 HB THR B 166 7.096 -3.486 -6.368 1.00 0.00 H new ATOM 0 HG1 THR B 166 7.733 -3.506 -8.650 1.00 0.00 H new ATOM 0 HG21 THR B 166 5.608 -4.235 -8.195 1.00 0.00 H new ATOM 0 HG22 THR B 166 4.720 -3.448 -6.869 1.00 0.00 H new ATOM 0 HG23 THR B 166 5.027 -2.563 -8.382 1.00 0.00 H new ATOM 1499 N LEU B 167 4.690 -0.705 -5.056 1.00 0.00 N ATOM 1500 CA LEU B 167 3.718 -0.756 -3.971 1.00 0.00 C ATOM 1501 C LEU B 167 2.341 -1.144 -4.500 1.00 0.00 C ATOM 1502 O LEU B 167 2.108 -1.143 -5.709 1.00 0.00 O ATOM 1503 CB LEU B 167 3.643 0.597 -3.262 1.00 0.00 C ATOM 1504 CG LEU B 167 4.951 1.067 -2.623 1.00 0.00 C ATOM 1505 CD1 LEU B 167 5.881 1.649 -3.676 1.00 0.00 C ATOM 1506 CD2 LEU B 167 4.672 2.089 -1.532 1.00 0.00 C ATOM 0 H LEU B 167 4.570 0.082 -5.693 1.00 0.00 H new ATOM 0 HA LEU B 167 4.042 -1.513 -3.257 1.00 0.00 H new ATOM 0 HB2 LEU B 167 3.317 1.349 -3.981 1.00 0.00 H new ATOM 0 HB3 LEU B 167 2.877 0.542 -2.488 1.00 0.00 H new ATOM 0 HG LEU B 167 5.443 0.206 -2.171 1.00 0.00 H new ATOM 0 HD11 LEU B 167 6.806 1.978 -3.203 1.00 0.00 H new ATOM 0 HD12 LEU B 167 6.106 0.888 -4.423 1.00 0.00 H new ATOM 0 HD13 LEU B 167 5.398 2.499 -4.158 1.00 0.00 H new ATOM 0 HD21 LEU B 167 5.613 2.413 -1.088 1.00 0.00 H new ATOM 0 HD22 LEU B 167 4.159 2.949 -1.962 1.00 0.00 H new ATOM 0 HD23 LEU B 167 4.044 1.638 -0.763 1.00 0.00 H new ATOM 1518 N HIS B 168 1.432 -1.475 -3.590 1.00 0.00 N ATOM 1519 CA HIS B 168 0.079 -1.864 -3.970 1.00 0.00 C ATOM 1520 C HIS B 168 -0.953 -0.958 -3.307 1.00 0.00 C ATOM 1521 O HIS B 168 -1.082 -0.940 -2.083 1.00 0.00 O ATOM 1522 CB HIS B 168 -0.183 -3.322 -3.587 1.00 0.00 C ATOM 1523 CG HIS B 168 0.933 -4.249 -3.956 1.00 0.00 C ATOM 1524 ND1 HIS B 168 2.173 -4.395 -3.433 1.00 0.00 N flip ATOM 1525 CD2 HIS B 168 0.840 -5.168 -4.980 1.00 0.00 C flip ATOM 1526 CE1 HIS B 168 2.799 -5.390 -4.143 1.00 0.00 C flip ATOM 1527 NE2 HIS B 168 1.974 -5.841 -5.069 1.00 0.00 N flip ATOM 0 H HIS B 168 1.607 -1.482 -2.585 1.00 0.00 H new ATOM 0 HA HIS B 168 -0.012 -1.759 -5.051 1.00 0.00 H new ATOM 0 HB2 HIS B 168 -0.353 -3.381 -2.512 1.00 0.00 H new ATOM 0 HB3 HIS B 168 -1.099 -3.658 -4.074 1.00 0.00 H new ATOM 0 HD1 HIS B 168 2.569 -3.865 -2.657 1.00 0.00 H new ATOM 0 HD2 HIS B 168 -0.024 -5.315 -5.611 1.00 0.00 H new ATOM 0 HE1 HIS B 168 3.804 -5.746 -3.971 1.00 0.00 H new ATOM 1536 N LEU B 169 -1.684 -0.208 -4.124 1.00 0.00 N ATOM 1537 CA LEU B 169 -2.704 0.700 -3.619 1.00 0.00 C ATOM 1538 C LEU B 169 -4.030 -0.024 -3.446 1.00 0.00 C ATOM 1539 O LEU B 169 -4.475 -0.756 -4.329 1.00 0.00 O ATOM 1540 CB LEU B 169 -2.860 1.888 -4.572 1.00 0.00 C ATOM 1541 CG LEU B 169 -4.125 2.729 -4.383 1.00 0.00 C ATOM 1542 CD1 LEU B 169 -4.017 3.593 -3.135 1.00 0.00 C ATOM 1543 CD2 LEU B 169 -4.368 3.587 -5.614 1.00 0.00 C ATOM 0 H LEU B 169 -1.588 -0.212 -5.139 1.00 0.00 H new ATOM 0 HA LEU B 169 -2.392 1.070 -2.642 1.00 0.00 H new ATOM 0 HB2 LEU B 169 -1.993 2.538 -4.457 1.00 0.00 H new ATOM 0 HB3 LEU B 169 -2.844 1.514 -5.596 1.00 0.00 H new ATOM 0 HG LEU B 169 -4.974 2.058 -4.253 1.00 0.00 H new ATOM 0 HD11 LEU B 169 -4.927 4.182 -3.020 1.00 0.00 H new ATOM 0 HD12 LEU B 169 -3.885 2.955 -2.261 1.00 0.00 H new ATOM 0 HD13 LEU B 169 -3.161 4.262 -3.228 1.00 0.00 H new ATOM 0 HD21 LEU B 169 -5.270 4.182 -5.471 1.00 0.00 H new ATOM 0 HD22 LEU B 169 -3.517 4.250 -5.769 1.00 0.00 H new ATOM 0 HD23 LEU B 169 -4.492 2.945 -6.486 1.00 0.00 H new ATOM 1555 N VAL B 170 -4.647 0.182 -2.292 1.00 0.00 N ATOM 1556 CA VAL B 170 -5.916 -0.452 -1.980 1.00 0.00 C ATOM 1557 C VAL B 170 -6.817 0.491 -1.184 1.00 0.00 C ATOM 1558 O VAL B 170 -6.380 1.117 -0.219 1.00 0.00 O ATOM 1559 CB VAL B 170 -5.680 -1.753 -1.187 1.00 0.00 C ATOM 1560 CG1 VAL B 170 -6.950 -2.218 -0.483 1.00 0.00 C ATOM 1561 CG2 VAL B 170 -5.145 -2.840 -2.107 1.00 0.00 C ATOM 0 H VAL B 170 -4.286 0.787 -1.554 1.00 0.00 H new ATOM 0 HA VAL B 170 -6.416 -0.692 -2.918 1.00 0.00 H new ATOM 0 HB VAL B 170 -4.937 -1.547 -0.417 1.00 0.00 H new ATOM 0 HG11 VAL B 170 -6.746 -3.137 0.066 1.00 0.00 H new ATOM 0 HG12 VAL B 170 -7.284 -1.447 0.212 1.00 0.00 H new ATOM 0 HG13 VAL B 170 -7.729 -2.402 -1.223 1.00 0.00 H new ATOM 0 HG21 VAL B 170 -4.983 -3.753 -1.535 1.00 0.00 H new ATOM 0 HG22 VAL B 170 -5.867 -3.033 -2.901 1.00 0.00 H new ATOM 0 HG23 VAL B 170 -4.202 -2.514 -2.545 1.00 0.00 H new ATOM 1571 N LEU B 171 -8.076 0.588 -1.598 1.00 0.00 N ATOM 1572 CA LEU B 171 -9.036 1.449 -0.931 1.00 0.00 C ATOM 1573 C LEU B 171 -9.752 0.698 0.187 1.00 0.00 C ATOM 1574 O LEU B 171 -10.400 -0.316 -0.053 1.00 0.00 O ATOM 1575 CB LEU B 171 -10.050 1.976 -1.944 1.00 0.00 C ATOM 1576 CG LEU B 171 -9.671 3.299 -2.608 1.00 0.00 C ATOM 1577 CD1 LEU B 171 -10.700 3.684 -3.657 1.00 0.00 C ATOM 1578 CD2 LEU B 171 -9.531 4.397 -1.565 1.00 0.00 C ATOM 0 H LEU B 171 -8.453 0.077 -2.396 1.00 0.00 H new ATOM 0 HA LEU B 171 -8.500 2.289 -0.489 1.00 0.00 H new ATOM 0 HB2 LEU B 171 -10.190 1.224 -2.720 1.00 0.00 H new ATOM 0 HB3 LEU B 171 -11.010 2.100 -1.444 1.00 0.00 H new ATOM 0 HG LEU B 171 -8.709 3.172 -3.104 1.00 0.00 H new ATOM 0 HD11 LEU B 171 -10.413 4.629 -4.119 1.00 0.00 H new ATOM 0 HD12 LEU B 171 -10.750 2.907 -4.420 1.00 0.00 H new ATOM 0 HD13 LEU B 171 -11.677 3.793 -3.186 1.00 0.00 H new ATOM 0 HD21 LEU B 171 -9.261 5.332 -2.055 1.00 0.00 H new ATOM 0 HD22 LEU B 171 -10.478 4.523 -1.040 1.00 0.00 H new ATOM 0 HD23 LEU B 171 -8.754 4.124 -0.851 1.00 0.00 H new ATOM 1590 N ARG B 172 -9.621 1.204 1.407 1.00 0.00 N ATOM 1591 CA ARG B 172 -10.250 0.582 2.566 1.00 0.00 C ATOM 1592 C ARG B 172 -11.510 1.339 2.969 1.00 0.00 C ATOM 1593 O ARG B 172 -11.440 2.328 3.700 1.00 0.00 O ATOM 1594 CB ARG B 172 -9.275 0.533 3.741 1.00 0.00 C ATOM 1595 CG ARG B 172 -9.597 -0.553 4.755 1.00 0.00 C ATOM 1596 CD ARG B 172 -10.580 -0.065 5.799 1.00 0.00 C ATOM 1597 NE ARG B 172 -9.973 0.859 6.749 1.00 0.00 N ATOM 1598 CZ ARG B 172 -10.500 1.170 7.930 1.00 0.00 C ATOM 1599 NH1 ARG B 172 -11.650 0.633 8.310 1.00 0.00 N ATOM 1600 NH2 ARG B 172 -9.878 2.020 8.733 1.00 0.00 N ATOM 0 H ARG B 172 -9.084 2.045 1.620 1.00 0.00 H new ATOM 0 HA ARG B 172 -10.528 -0.436 2.293 1.00 0.00 H new ATOM 0 HB2 ARG B 172 -8.267 0.374 3.359 1.00 0.00 H new ATOM 0 HB3 ARG B 172 -9.277 1.500 4.244 1.00 0.00 H new ATOM 0 HG2 ARG B 172 -10.011 -1.420 4.241 1.00 0.00 H new ATOM 0 HG3 ARG B 172 -8.679 -0.880 5.243 1.00 0.00 H new ATOM 0 HD2 ARG B 172 -11.417 0.427 5.303 1.00 0.00 H new ATOM 0 HD3 ARG B 172 -10.987 -0.920 6.338 1.00 0.00 H new ATOM 0 HE ARG B 172 -9.087 1.295 6.492 1.00 0.00 H new ATOM 0 HH11 ARG B 172 -12.135 -0.022 7.696 1.00 0.00 H new ATOM 0 HH12 ARG B 172 -12.051 0.874 9.216 1.00 0.00 H new ATOM 0 HH21 ARG B 172 -8.993 2.438 8.446 1.00 0.00 H new ATOM 0 HH22 ARG B 172 -10.284 2.257 9.638 1.00 0.00 H new