USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 944 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 204 GLN : amide:sc= 0.203 K(o=0.25,f=-5.5!) USER MOD Set 1.2: A 213 MET CE :methyl -171:sc= -0.689 (180deg=-0.711) USER MOD Set 1.3: B 121 THR OG1 : rot 44:sc= 0.737 USER MOD Set 2.1: A 217 LYS NZ :NH3+ -168:sc= 2.37 (180deg=1.09) USER MOD Set 2.2: B 117 SER OG : rot 180:sc= 1.02 USER MOD Set 3.1: A 195 THR OG1 : rot 81:sc= 0.837 USER MOD Set 3.2: A 198 GLN : amide:sc= 0.672 K(o=1.5,f=0.033) USER MOD Set 4.1: A 171 ASN : amide:sc= 0.987 K(o=2.2,f=-6.6!) USER MOD Set 4.2: A 174 LYS NZ :NH3+ -172:sc= 1.25 (180deg=0) USER MOD Set 5.1: A 163 THR OG1 : rot -160:sc= -0.0956 USER MOD Set 5.2: A 166 GLN : amide:sc= 0 X(o=-0.096,f=-0.096) USER MOD Single : A 158 GLN : amide:sc= -1.21 K(o=-1.2,f=-4.1!) USER MOD Single : A 161 GLN : amide:sc= -0.0325 K(o=-0.033,f=-4.7!) USER MOD Single : A 165 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 167 GLN : amide:sc= -0.283 X(o=-0.28,f=-0.38) USER MOD Single : A 168 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 172 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.27) USER MOD Single : A 173 MET CE :methyl -129:sc= 0 (180deg=-0.354) USER MOD Single : A 180 LYS NZ :NH3+ -164:sc= -0.0499 (180deg=-0.343) USER MOD Single : A 181 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 184 GLN : amide:sc= 0.342 X(o=0.34,f=0) USER MOD Single : A 188 ASN : amide:sc= -0.0657 K(o=-0.066,f=-1.6!) USER MOD Single : A 192 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 194 ASN : amide:sc= -0.286 X(o=-0.29,f=-0.13) USER MOD Single : A 197 GLN : amide:sc= 1.07 K(o=1.1,f=-1.4!) USER MOD Single : A 200 THR OG1 : rot -87:sc= 1.2 USER MOD Single : A 205 GLN : amide:sc= -2.19! C(o=-2.2!,f=-7.1!) USER MOD Single : A 206 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 209 THR OG1 : rot -84:sc= 1.24 USER MOD Single : A 211 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 220 TYR OH : rot 180:sc= -0.0173 USER MOD Single : A 221 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 223 HIS : no HD1:sc= 0.76 K(o=0.76,f=-6!) USER MOD Single : A 224 GLN : amide:sc=-0.00987 X(o=-0.0099,f=-0.025) USER MOD Single : A 225 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 233 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 234 GLN : amide:sc= -0.0675 X(o=-0.067,f=-0.15) USER MOD Single : A 235 GLN : amide:sc= 0.56 K(o=0.56,f=-0.17) USER MOD Single : A 236 GLN : amide:sc= -0.283 X(o=-0.28,f=-0.72) USER MOD Single : A 238 GLN : amide:sc= -0.205 X(o=-0.2,f=-0.14) USER MOD Single : B 101 SER OG : rot 29:sc= 0.3 USER MOD Single : B 102 THR OG1 : rot 180:sc= 0.0581 USER MOD Single : B 104 SER OG : rot 180:sc= -0.0458 USER MOD Single : B 105 THR OG1 : rot 180:sc= 0 USER MOD Single : B 107 MET CE :methyl 162:sc= -0.065 (180deg=-0.425) USER MOD Single : B 110 TYR OH : rot 180:sc= 0 USER MOD Single : B 112 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 116 ASN : amide:sc= 1.31 K(o=1.3,f=-0.055) USER MOD Single : B 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 122 SER OG : rot 78:sc= 0.0241 USER MOD Single : B 126 ASN : amide:sc= -0.423 X(o=-0.42,f=-0.014) USER MOD Single : B 131 THR OG1 : rot 180:sc= 0.0885 USER MOD Single : B 132 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 158 -10.877 -10.851 -13.897 1.00 14.62 N ATOM 2 CA GLN A 158 -11.387 -9.965 -14.968 1.00 14.18 C ATOM 3 C GLN A 158 -12.908 -9.853 -14.882 1.00 13.66 C ATOM 4 O GLN A 158 -13.453 -8.752 -14.782 1.00 13.66 O ATOM 5 CB GLN A 158 -10.983 -10.490 -16.355 1.00 14.24 C ATOM 6 CG GLN A 158 -9.587 -11.098 -16.415 1.00 14.52 C ATOM 7 CD GLN A 158 -8.510 -10.162 -15.902 1.00 14.67 C ATOM 8 OE1 GLN A 158 -8.228 -10.127 -14.705 1.00 14.57 O ATOM 9 NE2 GLN A 158 -7.902 -9.405 -16.798 1.00 15.07 N ATOM 0 HA GLN A 158 -10.945 -8.979 -14.828 1.00 14.18 H new ATOM 0 HB2 GLN A 158 -11.707 -11.241 -16.671 1.00 14.24 H new ATOM 0 HB3 GLN A 158 -11.040 -9.670 -17.071 1.00 14.24 H new ATOM 0 HG2 GLN A 158 -9.571 -12.017 -15.829 1.00 14.52 H new ATOM 0 HG3 GLN A 158 -9.361 -11.373 -17.445 1.00 14.52 H new ATOM 0 HE21 GLN A 158 -8.167 -9.466 -17.781 1.00 15.07 H new ATOM 0 HE22 GLN A 158 -7.168 -8.760 -16.507 1.00 15.07 H new ATOM 20 N ARG A 159 -13.591 -10.996 -14.903 1.00 13.39 N ATOM 21 CA ARG A 159 -15.050 -11.012 -14.834 1.00 13.07 C ATOM 22 C ARG A 159 -15.539 -10.637 -13.436 1.00 12.59 C ATOM 23 O ARG A 159 -16.501 -9.889 -13.292 1.00 12.86 O ATOM 24 CB ARG A 159 -15.608 -12.382 -15.249 1.00 13.30 C ATOM 25 CG ARG A 159 -14.996 -13.555 -14.501 1.00 13.64 C ATOM 26 CD ARG A 159 -15.460 -14.889 -15.063 1.00 14.11 C ATOM 27 NE ARG A 159 -15.171 -15.021 -16.491 1.00 14.43 N ATOM 28 CZ ARG A 159 -15.559 -16.058 -17.234 1.00 14.90 C ATOM 29 NH1 ARG A 159 -16.215 -17.068 -16.682 1.00 15.09 N1+ ATOM 30 NH2 ARG A 159 -15.275 -16.088 -18.529 1.00 15.34 N ATOM 0 H ARG A 159 -13.160 -11.918 -14.967 1.00 13.39 H new ATOM 0 HA ARG A 159 -15.421 -10.265 -15.536 1.00 13.07 H new ATOM 0 HB2 ARG A 159 -16.686 -12.386 -15.090 1.00 13.30 H new ATOM 0 HB3 ARG A 159 -15.443 -12.521 -16.317 1.00 13.30 H new ATOM 0 HG2 ARG A 159 -13.909 -13.495 -14.558 1.00 13.64 H new ATOM 0 HG3 ARG A 159 -15.263 -13.492 -13.446 1.00 13.64 H new ATOM 0 HD2 ARG A 159 -14.973 -15.699 -14.520 1.00 14.11 H new ATOM 0 HD3 ARG A 159 -16.532 -14.996 -14.900 1.00 14.11 H new ATOM 0 HE ARG A 159 -14.642 -14.276 -16.945 1.00 14.43 H new ATOM 0 HH11 ARG A 159 -16.426 -17.055 -15.684 1.00 15.09 H new ATOM 0 HH12 ARG A 159 -16.510 -17.859 -17.255 1.00 15.09 H new ATOM 0 HH21 ARG A 159 -14.760 -15.318 -18.956 1.00 15.34 H new ATOM 0 HH22 ARG A 159 -15.572 -16.881 -19.098 1.00 15.34 H new ATOM 44 N ARG A 160 -14.869 -11.149 -12.414 1.00 12.05 N ATOM 45 CA ARG A 160 -15.243 -10.857 -11.038 1.00 11.74 C ATOM 46 C ARG A 160 -14.118 -10.130 -10.313 1.00 11.04 C ATOM 47 O ARG A 160 -14.330 -9.074 -9.715 1.00 10.84 O ATOM 48 CB ARG A 160 -15.596 -12.145 -10.296 1.00 11.99 C ATOM 49 CG ARG A 160 -17.075 -12.495 -10.345 1.00 12.34 C ATOM 50 CD ARG A 160 -17.909 -11.512 -9.538 1.00 12.69 C ATOM 51 NE ARG A 160 -19.231 -12.046 -9.213 1.00 12.85 N ATOM 52 CZ ARG A 160 -19.807 -11.937 -8.011 1.00 13.18 C ATOM 53 NH1 ARG A 160 -19.192 -11.286 -7.030 1.00 13.36 N1+ ATOM 54 NH2 ARG A 160 -21.001 -12.473 -7.793 1.00 13.51 N ATOM 0 H ARG A 160 -14.064 -11.768 -12.511 1.00 12.05 H new ATOM 0 HA ARG A 160 -16.119 -10.208 -11.057 1.00 11.74 H new ATOM 0 HB2 ARG A 160 -15.023 -12.968 -10.723 1.00 11.99 H new ATOM 0 HB3 ARG A 160 -15.289 -12.049 -9.255 1.00 11.99 H new ATOM 0 HG2 ARG A 160 -17.415 -12.497 -11.381 1.00 12.34 H new ATOM 0 HG3 ARG A 160 -17.224 -13.503 -9.958 1.00 12.34 H new ATOM 0 HD2 ARG A 160 -17.383 -11.263 -8.616 1.00 12.69 H new ATOM 0 HD3 ARG A 160 -18.022 -10.586 -10.101 1.00 12.69 H new ATOM 0 HE ARG A 160 -19.745 -12.531 -9.948 1.00 12.85 H new ATOM 0 HH11 ARG A 160 -18.276 -10.867 -7.192 1.00 13.36 H new ATOM 0 HH12 ARG A 160 -19.635 -11.206 -6.115 1.00 13.36 H new ATOM 0 HH21 ARG A 160 -21.482 -12.970 -8.543 1.00 13.51 H new ATOM 0 HH22 ARG A 160 -21.438 -12.388 -6.875 1.00 13.51 H new ATOM 68 N GLN A 161 -12.924 -10.702 -10.361 1.00 10.86 N ATOM 69 CA GLN A 161 -11.768 -10.101 -9.715 1.00 10.36 C ATOM 70 C GLN A 161 -11.165 -9.017 -10.596 1.00 9.86 C ATOM 71 O GLN A 161 -11.328 -9.043 -11.820 1.00 10.18 O ATOM 72 CB GLN A 161 -10.714 -11.159 -9.377 1.00 10.81 C ATOM 73 CG GLN A 161 -11.039 -11.952 -8.118 1.00 11.07 C ATOM 74 CD GLN A 161 -11.767 -13.253 -8.406 1.00 11.46 C ATOM 75 OE1 GLN A 161 -12.474 -13.381 -9.407 1.00 11.66 O ATOM 76 NE2 GLN A 161 -11.607 -14.225 -7.522 1.00 11.77 N ATOM 0 H GLN A 161 -12.731 -11.581 -10.841 1.00 10.86 H new ATOM 0 HA GLN A 161 -12.104 -9.646 -8.783 1.00 10.36 H new ATOM 0 HB2 GLN A 161 -10.618 -11.847 -10.217 1.00 10.81 H new ATOM 0 HB3 GLN A 161 -9.747 -10.672 -9.252 1.00 10.81 H new ATOM 0 HG2 GLN A 161 -10.114 -12.170 -7.584 1.00 11.07 H new ATOM 0 HG3 GLN A 161 -11.651 -11.338 -7.457 1.00 11.07 H new ATOM 0 HE21 GLN A 161 -11.013 -14.079 -6.706 1.00 11.77 H new ATOM 0 HE22 GLN A 161 -12.078 -15.120 -7.657 1.00 11.77 H new ATOM 85 N LEU A 162 -10.464 -8.084 -9.957 1.00 9.29 N ATOM 86 CA LEU A 162 -9.827 -6.953 -10.629 1.00 8.96 C ATOM 87 C LEU A 162 -10.865 -6.001 -11.203 1.00 8.97 C ATOM 88 O LEU A 162 -11.170 -6.017 -12.397 1.00 9.41 O ATOM 89 CB LEU A 162 -8.858 -7.389 -11.730 1.00 8.70 C ATOM 90 CG LEU A 162 -7.572 -8.064 -11.248 1.00 8.71 C ATOM 91 CD1 LEU A 162 -6.650 -8.345 -12.422 1.00 8.87 C ATOM 92 CD2 LEU A 162 -6.868 -7.200 -10.208 1.00 8.59 C ATOM 0 H LEU A 162 -10.320 -8.091 -8.947 1.00 9.29 H new ATOM 0 HA LEU A 162 -9.246 -6.435 -9.866 1.00 8.96 H new ATOM 0 HB2 LEU A 162 -9.379 -8.075 -12.398 1.00 8.70 H new ATOM 0 HB3 LEU A 162 -8.588 -6.513 -12.320 1.00 8.70 H new ATOM 0 HG LEU A 162 -7.835 -9.013 -10.780 1.00 8.71 H new ATOM 0 HD11 LEU A 162 -5.740 -8.825 -12.063 1.00 8.87 H new ATOM 0 HD12 LEU A 162 -7.153 -9.004 -13.130 1.00 8.87 H new ATOM 0 HD13 LEU A 162 -6.395 -7.408 -12.917 1.00 8.87 H new ATOM 0 HD21 LEU A 162 -5.956 -7.698 -9.878 1.00 8.59 H new ATOM 0 HD22 LEU A 162 -6.616 -6.235 -10.647 1.00 8.59 H new ATOM 0 HD23 LEU A 162 -7.528 -7.049 -9.354 1.00 8.59 H new ATOM 104 N THR A 163 -11.407 -5.184 -10.330 1.00 8.60 N ATOM 105 CA THR A 163 -12.401 -4.200 -10.702 1.00 8.65 C ATOM 106 C THR A 163 -11.718 -2.965 -11.272 1.00 8.24 C ATOM 107 O THR A 163 -10.710 -2.528 -10.734 1.00 7.76 O ATOM 108 CB THR A 163 -13.235 -3.799 -9.480 1.00 8.64 C ATOM 109 OG1 THR A 163 -12.638 -4.345 -8.292 1.00 8.49 O ATOM 110 CG2 THR A 163 -14.659 -4.296 -9.619 1.00 8.89 C ATOM 0 H THR A 163 -11.171 -5.182 -9.338 1.00 8.60 H new ATOM 0 HA THR A 163 -13.057 -4.636 -11.456 1.00 8.65 H new ATOM 0 HB THR A 163 -13.257 -2.711 -9.410 1.00 8.64 H new ATOM 0 HG1 THR A 163 -13.304 -4.372 -7.574 1.00 8.49 H new ATOM 0 HG21 THR A 163 -15.235 -4.001 -8.742 1.00 8.89 H new ATOM 0 HG22 THR A 163 -15.110 -3.862 -10.511 1.00 8.89 H new ATOM 0 HG23 THR A 163 -14.658 -5.383 -9.704 1.00 8.89 H new ATOM 118 N PRO A 164 -12.239 -2.400 -12.370 1.00 8.51 N ATOM 119 CA PRO A 164 -11.659 -1.205 -12.998 1.00 8.32 C ATOM 120 C PRO A 164 -11.358 -0.085 -11.997 1.00 7.84 C ATOM 121 O PRO A 164 -10.279 0.510 -12.024 1.00 7.58 O ATOM 122 CB PRO A 164 -12.746 -0.764 -13.976 1.00 8.84 C ATOM 123 CG PRO A 164 -13.478 -2.010 -14.323 1.00 9.21 C ATOM 124 CD PRO A 164 -13.421 -2.894 -13.106 1.00 9.12 C ATOM 0 HA PRO A 164 -10.698 -1.423 -13.463 1.00 8.32 H new ATOM 0 HB2 PRO A 164 -13.411 -0.029 -13.522 1.00 8.84 H new ATOM 0 HB3 PRO A 164 -12.315 -0.299 -14.863 1.00 8.84 H new ATOM 0 HG2 PRO A 164 -14.511 -1.790 -14.594 1.00 9.21 H new ATOM 0 HG3 PRO A 164 -13.021 -2.502 -15.181 1.00 9.21 H new ATOM 0 HD2 PRO A 164 -14.329 -2.811 -12.508 1.00 9.12 H new ATOM 0 HD3 PRO A 164 -13.313 -3.944 -13.378 1.00 9.12 H new ATOM 132 N GLN A 165 -12.309 0.176 -11.103 1.00 7.83 N ATOM 133 CA GLN A 165 -12.156 1.228 -10.099 1.00 7.51 C ATOM 134 C GLN A 165 -11.064 0.893 -9.081 1.00 6.97 C ATOM 135 O GLN A 165 -10.312 1.774 -8.653 1.00 6.65 O ATOM 136 CB GLN A 165 -13.484 1.460 -9.366 1.00 7.82 C ATOM 137 CG GLN A 165 -14.611 1.934 -10.271 1.00 8.09 C ATOM 138 CD GLN A 165 -15.955 1.965 -9.567 1.00 8.36 C ATOM 139 OE1 GLN A 165 -16.041 2.229 -8.365 1.00 8.55 O ATOM 140 NE2 GLN A 165 -17.017 1.685 -10.308 1.00 8.64 N ATOM 0 H GLN A 165 -13.195 -0.327 -11.053 1.00 7.83 H new ATOM 0 HA GLN A 165 -11.860 2.136 -10.625 1.00 7.51 H new ATOM 0 HB2 GLN A 165 -13.787 0.532 -8.880 1.00 7.82 H new ATOM 0 HB3 GLN A 165 -13.329 2.197 -8.578 1.00 7.82 H new ATOM 0 HG2 GLN A 165 -14.377 2.932 -10.643 1.00 8.09 H new ATOM 0 HG3 GLN A 165 -14.675 1.277 -11.139 1.00 8.09 H new ATOM 0 HE21 GLN A 165 -16.905 1.472 -11.299 1.00 8.64 H new ATOM 0 HE22 GLN A 165 -17.946 1.683 -9.887 1.00 8.64 H new ATOM 149 N GLN A 166 -10.964 -0.383 -8.717 1.00 6.95 N ATOM 150 CA GLN A 166 -9.982 -0.828 -7.733 1.00 6.50 C ATOM 151 C GLN A 166 -8.608 -1.028 -8.357 1.00 6.28 C ATOM 152 O GLN A 166 -7.590 -0.669 -7.763 1.00 5.88 O ATOM 153 CB GLN A 166 -10.437 -2.129 -7.069 1.00 6.71 C ATOM 154 CG GLN A 166 -11.470 -1.927 -5.975 1.00 6.96 C ATOM 155 CD GLN A 166 -11.276 -2.888 -4.820 1.00 7.29 C ATOM 156 OE1 GLN A 166 -10.562 -2.588 -3.863 1.00 7.56 O ATOM 157 NE2 GLN A 166 -11.903 -4.050 -4.898 1.00 7.52 N ATOM 0 H GLN A 166 -11.552 -1.128 -9.090 1.00 6.95 H new ATOM 0 HA GLN A 166 -9.904 -0.044 -6.980 1.00 6.50 H new ATOM 0 HB2 GLN A 166 -10.852 -2.790 -7.831 1.00 6.71 H new ATOM 0 HB3 GLN A 166 -9.568 -2.635 -6.647 1.00 6.71 H new ATOM 0 HG2 GLN A 166 -11.411 -0.903 -5.607 1.00 6.96 H new ATOM 0 HG3 GLN A 166 -12.469 -2.059 -6.392 1.00 6.96 H new ATOM 0 HE21 GLN A 166 -12.486 -4.262 -5.708 1.00 7.52 H new ATOM 0 HE22 GLN A 166 -11.804 -4.735 -4.148 1.00 7.52 H new ATOM 166 N GLN A 167 -8.586 -1.613 -9.548 1.00 6.66 N ATOM 167 CA GLN A 167 -7.350 -1.872 -10.271 1.00 6.68 C ATOM 168 C GLN A 167 -6.501 -0.609 -10.418 1.00 6.51 C ATOM 169 O GLN A 167 -5.281 -0.656 -10.270 1.00 6.41 O ATOM 170 CB GLN A 167 -7.669 -2.451 -11.647 1.00 7.28 C ATOM 171 CG GLN A 167 -6.515 -3.223 -12.237 1.00 7.57 C ATOM 172 CD GLN A 167 -6.883 -3.972 -13.499 1.00 8.01 C ATOM 173 OE1 GLN A 167 -7.810 -3.599 -14.218 1.00 8.31 O ATOM 174 NE2 GLN A 167 -6.144 -5.030 -13.786 1.00 8.31 N ATOM 0 H GLN A 167 -9.425 -1.921 -10.039 1.00 6.66 H new ATOM 0 HA GLN A 167 -6.770 -2.592 -9.694 1.00 6.68 H new ATOM 0 HB2 GLN A 167 -8.536 -3.106 -11.568 1.00 7.28 H new ATOM 0 HB3 GLN A 167 -7.942 -1.641 -12.323 1.00 7.28 H new ATOM 0 HG2 GLN A 167 -5.699 -2.534 -12.456 1.00 7.57 H new ATOM 0 HG3 GLN A 167 -6.144 -3.932 -11.497 1.00 7.57 H new ATOM 0 HE21 GLN A 167 -5.385 -5.306 -13.163 1.00 8.31 H new ATOM 0 HE22 GLN A 167 -6.333 -5.570 -14.630 1.00 8.31 H new ATOM 183 N GLN A 168 -7.157 0.512 -10.672 1.00 6.59 N ATOM 184 CA GLN A 168 -6.468 1.788 -10.850 1.00 6.60 C ATOM 185 C GLN A 168 -5.855 2.281 -9.547 1.00 6.15 C ATOM 186 O GLN A 168 -4.939 3.105 -9.542 1.00 6.21 O ATOM 187 CB GLN A 168 -7.446 2.830 -11.380 1.00 6.88 C ATOM 188 CG GLN A 168 -7.826 2.631 -12.833 1.00 7.43 C ATOM 189 CD GLN A 168 -6.855 3.301 -13.780 1.00 7.81 C ATOM 190 OE1 GLN A 168 -6.991 4.484 -14.089 1.00 8.12 O ATOM 191 NE2 GLN A 168 -5.877 2.549 -14.247 1.00 8.10 N ATOM 0 H GLN A 168 -8.172 0.568 -10.761 1.00 6.59 H new ATOM 0 HA GLN A 168 -5.661 1.636 -11.566 1.00 6.60 H new ATOM 0 HB2 GLN A 168 -8.350 2.808 -10.772 1.00 6.88 H new ATOM 0 HB3 GLN A 168 -7.006 3.820 -11.262 1.00 6.88 H new ATOM 0 HG2 GLN A 168 -7.866 1.564 -13.052 1.00 7.43 H new ATOM 0 HG3 GLN A 168 -8.827 3.029 -13.002 1.00 7.43 H new ATOM 0 HE21 GLN A 168 -5.804 1.572 -13.962 1.00 8.10 H new ATOM 0 HE22 GLN A 168 -5.193 2.944 -14.893 1.00 8.10 H new ATOM 200 N LEU A 169 -6.387 1.800 -8.443 1.00 5.81 N ATOM 201 CA LEU A 169 -5.906 2.194 -7.134 1.00 5.44 C ATOM 202 C LEU A 169 -4.760 1.302 -6.663 1.00 5.18 C ATOM 203 O LEU A 169 -3.698 1.788 -6.277 1.00 5.07 O ATOM 204 CB LEU A 169 -7.052 2.151 -6.122 1.00 5.36 C ATOM 205 CG LEU A 169 -8.210 3.119 -6.394 1.00 5.65 C ATOM 206 CD1 LEU A 169 -9.400 2.786 -5.511 1.00 5.76 C ATOM 207 CD2 LEU A 169 -7.776 4.560 -6.168 1.00 5.82 C ATOM 0 H LEU A 169 -7.157 1.132 -8.426 1.00 5.81 H new ATOM 0 HA LEU A 169 -5.525 3.212 -7.211 1.00 5.44 H new ATOM 0 HB2 LEU A 169 -7.449 1.136 -6.092 1.00 5.36 H new ATOM 0 HB3 LEU A 169 -6.648 2.364 -5.132 1.00 5.36 H new ATOM 0 HG LEU A 169 -8.505 3.008 -7.437 1.00 5.65 H new ATOM 0 HD11 LEU A 169 -10.212 3.483 -5.717 1.00 5.76 H new ATOM 0 HD12 LEU A 169 -9.733 1.769 -5.718 1.00 5.76 H new ATOM 0 HD13 LEU A 169 -9.110 2.867 -4.463 1.00 5.76 H new ATOM 0 HD21 LEU A 169 -8.614 5.228 -6.367 1.00 5.82 H new ATOM 0 HD22 LEU A 169 -7.450 4.684 -5.135 1.00 5.82 H new ATOM 0 HD23 LEU A 169 -6.952 4.801 -6.840 1.00 5.82 H new ATOM 219 N VAL A 170 -4.994 -0.006 -6.695 1.00 5.20 N ATOM 220 CA VAL A 170 -4.009 -0.983 -6.233 1.00 5.06 C ATOM 221 C VAL A 170 -2.739 -1.002 -7.083 1.00 5.34 C ATOM 222 O VAL A 170 -1.652 -1.248 -6.567 1.00 5.28 O ATOM 223 CB VAL A 170 -4.599 -2.409 -6.176 1.00 5.24 C ATOM 224 CG1 VAL A 170 -5.635 -2.520 -5.062 1.00 5.25 C ATOM 225 CG2 VAL A 170 -5.195 -2.815 -7.519 1.00 5.42 C ATOM 0 H VAL A 170 -5.862 -0.418 -7.038 1.00 5.20 H new ATOM 0 HA VAL A 170 -3.738 -0.661 -5.227 1.00 5.06 H new ATOM 0 HB VAL A 170 -3.785 -3.100 -5.954 1.00 5.24 H new ATOM 0 HG11 VAL A 170 -6.038 -3.533 -5.039 1.00 5.25 H new ATOM 0 HG12 VAL A 170 -5.165 -2.295 -4.105 1.00 5.25 H new ATOM 0 HG13 VAL A 170 -6.443 -1.812 -5.245 1.00 5.25 H new ATOM 0 HG21 VAL A 170 -5.602 -3.824 -7.446 1.00 5.42 H new ATOM 0 HG22 VAL A 170 -5.991 -2.121 -7.789 1.00 5.42 H new ATOM 0 HG23 VAL A 170 -4.419 -2.791 -8.284 1.00 5.42 H new ATOM 235 N ASN A 171 -2.873 -0.734 -8.376 1.00 5.77 N ATOM 236 CA ASN A 171 -1.725 -0.738 -9.288 1.00 6.24 C ATOM 237 C ASN A 171 -0.716 0.341 -8.919 1.00 6.25 C ATOM 238 O ASN A 171 0.459 0.259 -9.281 1.00 6.59 O ATOM 239 CB ASN A 171 -2.181 -0.529 -10.733 1.00 6.76 C ATOM 240 CG ASN A 171 -1.162 -1.022 -11.742 1.00 7.31 C ATOM 241 OD1 ASN A 171 -0.401 -1.952 -11.478 1.00 7.47 O ATOM 242 ND2 ASN A 171 -1.143 -0.397 -12.906 1.00 7.80 N ATOM 0 H ASN A 171 -3.763 -0.511 -8.821 1.00 5.77 H new ATOM 0 HA ASN A 171 -1.244 -1.712 -9.196 1.00 6.24 H new ATOM 0 HB2 ASN A 171 -3.125 -1.050 -10.891 1.00 6.76 H new ATOM 0 HB3 ASN A 171 -2.370 0.531 -10.901 1.00 6.76 H new ATOM 0 HD21 ASN A 171 -0.480 -0.681 -13.627 1.00 7.80 H new ATOM 0 HD22 ASN A 171 -1.792 0.370 -13.084 1.00 7.80 H new ATOM 249 N GLN A 172 -1.174 1.356 -8.196 1.00 6.00 N ATOM 250 CA GLN A 172 -0.309 2.457 -7.793 1.00 6.13 C ATOM 251 C GLN A 172 0.528 2.104 -6.565 1.00 5.80 C ATOM 252 O GLN A 172 1.541 2.748 -6.295 1.00 6.06 O ATOM 253 CB GLN A 172 -1.137 3.711 -7.519 1.00 6.13 C ATOM 254 CG GLN A 172 -1.865 4.239 -8.748 1.00 6.58 C ATOM 255 CD GLN A 172 -0.934 4.501 -9.916 1.00 6.95 C ATOM 256 OE1 GLN A 172 -0.708 3.629 -10.756 1.00 7.27 O ATOM 257 NE2 GLN A 172 -0.389 5.701 -9.983 1.00 7.22 N ATOM 0 H GLN A 172 -2.139 1.439 -7.877 1.00 6.00 H new ATOM 0 HA GLN A 172 0.377 2.650 -8.618 1.00 6.13 H new ATOM 0 HB2 GLN A 172 -1.867 3.491 -6.740 1.00 6.13 H new ATOM 0 HB3 GLN A 172 -0.482 4.491 -7.131 1.00 6.13 H new ATOM 0 HG2 GLN A 172 -2.626 3.520 -9.050 1.00 6.58 H new ATOM 0 HG3 GLN A 172 -2.384 5.162 -8.489 1.00 6.58 H new ATOM 0 HE21 GLN A 172 -0.600 6.398 -9.268 1.00 7.22 H new ATOM 0 HE22 GLN A 172 0.243 5.932 -10.749 1.00 7.22 H new ATOM 266 N MET A 173 0.111 1.078 -5.828 1.00 5.33 N ATOM 267 CA MET A 173 0.824 0.658 -4.617 1.00 5.03 C ATOM 268 C MET A 173 2.037 -0.220 -4.950 1.00 5.21 C ATOM 269 O MET A 173 2.470 -1.033 -4.134 1.00 5.01 O ATOM 270 CB MET A 173 -0.126 -0.091 -3.678 1.00 4.54 C ATOM 271 CG MET A 173 -0.241 0.528 -2.290 1.00 4.49 C ATOM 272 SD MET A 173 1.318 0.520 -1.384 1.00 4.57 S ATOM 273 CE MET A 173 0.840 1.350 0.130 1.00 4.49 C ATOM 0 H MET A 173 -0.715 0.521 -6.045 1.00 5.33 H new ATOM 0 HA MET A 173 1.190 1.556 -4.119 1.00 5.03 H new ATOM 0 HB2 MET A 173 -1.116 -0.126 -4.132 1.00 4.54 H new ATOM 0 HB3 MET A 173 0.216 -1.121 -3.578 1.00 4.54 H new ATOM 0 HG2 MET A 173 -0.595 1.555 -2.384 1.00 4.49 H new ATOM 0 HG3 MET A 173 -0.991 -0.016 -1.716 1.00 4.49 H new ATOM 0 HE1 MET A 173 1.539 2.161 0.337 1.00 4.49 H new ATOM 0 HE2 MET A 173 -0.165 1.757 0.020 1.00 4.49 H new ATOM 0 HE3 MET A 173 0.855 0.638 0.956 1.00 4.49 H new ATOM 283 N LYS A 174 2.573 -0.064 -6.152 1.00 5.68 N ATOM 284 CA LYS A 174 3.734 -0.836 -6.574 1.00 6.02 C ATOM 285 C LYS A 174 5.009 -0.034 -6.361 1.00 6.49 C ATOM 286 O LYS A 174 5.856 -0.387 -5.538 1.00 6.55 O ATOM 287 CB LYS A 174 3.607 -1.244 -8.041 1.00 6.45 C ATOM 288 CG LYS A 174 2.621 -2.374 -8.268 1.00 6.44 C ATOM 289 CD LYS A 174 2.350 -2.581 -9.749 1.00 6.92 C ATOM 290 CE LYS A 174 1.634 -3.895 -9.999 1.00 7.15 C ATOM 291 NZ LYS A 174 1.296 -4.081 -11.435 1.00 7.76 N1+ ATOM 0 H LYS A 174 2.223 0.590 -6.852 1.00 5.68 H new ATOM 0 HA LYS A 174 3.782 -1.740 -5.967 1.00 6.02 H new ATOM 0 HB2 LYS A 174 3.297 -0.378 -8.626 1.00 6.45 H new ATOM 0 HB3 LYS A 174 4.586 -1.546 -8.413 1.00 6.45 H new ATOM 0 HG2 LYS A 174 3.014 -3.294 -7.836 1.00 6.44 H new ATOM 0 HG3 LYS A 174 1.686 -2.153 -7.752 1.00 6.44 H new ATOM 0 HD2 LYS A 174 1.746 -1.757 -10.129 1.00 6.92 H new ATOM 0 HD3 LYS A 174 3.291 -2.567 -10.299 1.00 6.92 H new ATOM 0 HE2 LYS A 174 2.263 -4.720 -9.665 1.00 7.15 H new ATOM 0 HE3 LYS A 174 0.721 -3.929 -9.404 1.00 7.15 H new ATOM 0 HZ1 LYS A 174 0.692 -4.921 -11.544 1.00 7.76 H new ATOM 0 HZ2 LYS A 174 0.789 -3.242 -11.784 1.00 7.76 H new ATOM 0 HZ3 LYS A 174 2.170 -4.210 -11.983 1.00 7.76 H new ATOM 305 N VAL A 175 5.148 1.050 -7.105 1.00 6.90 N ATOM 306 CA VAL A 175 6.312 1.901 -6.978 1.00 7.46 C ATOM 307 C VAL A 175 5.986 3.056 -6.052 1.00 7.44 C ATOM 308 O VAL A 175 5.635 4.154 -6.484 1.00 7.78 O ATOM 309 CB VAL A 175 6.784 2.442 -8.343 1.00 8.18 C ATOM 310 CG1 VAL A 175 8.063 3.250 -8.186 1.00 8.62 C ATOM 311 CG2 VAL A 175 6.989 1.299 -9.322 1.00 8.33 C ATOM 0 H VAL A 175 4.469 1.359 -7.801 1.00 6.90 H new ATOM 0 HA VAL A 175 7.125 1.303 -6.566 1.00 7.46 H new ATOM 0 HB VAL A 175 6.012 3.101 -8.739 1.00 8.18 H new ATOM 0 HG11 VAL A 175 8.380 3.623 -9.160 1.00 8.62 H new ATOM 0 HG12 VAL A 175 7.882 4.091 -7.517 1.00 8.62 H new ATOM 0 HG13 VAL A 175 8.845 2.616 -7.769 1.00 8.62 H new ATOM 0 HG21 VAL A 175 7.322 1.696 -10.281 1.00 8.33 H new ATOM 0 HG22 VAL A 175 7.743 0.616 -8.931 1.00 8.33 H new ATOM 0 HG23 VAL A 175 6.049 0.763 -9.458 1.00 8.33 H new ATOM 321 N ALA A 176 6.083 2.780 -4.771 1.00 7.10 N ATOM 322 CA ALA A 176 5.810 3.769 -3.749 1.00 7.14 C ATOM 323 C ALA A 176 6.855 3.695 -2.644 1.00 7.24 C ATOM 324 O ALA A 176 7.022 2.652 -2.016 1.00 6.92 O ATOM 325 CB ALA A 176 4.416 3.555 -3.183 1.00 6.59 C ATOM 0 H ALA A 176 6.353 1.866 -4.407 1.00 7.10 H new ATOM 0 HA ALA A 176 5.858 4.762 -4.196 1.00 7.14 H new ATOM 0 HB1 ALA A 176 4.217 4.302 -2.415 1.00 6.59 H new ATOM 0 HB2 ALA A 176 3.680 3.651 -3.982 1.00 6.59 H new ATOM 0 HB3 ALA A 176 4.350 2.559 -2.746 1.00 6.59 H new ATOM 331 N PRO A 177 7.624 4.772 -2.440 1.00 7.75 N ATOM 332 CA PRO A 177 8.641 4.832 -1.393 1.00 7.96 C ATOM 333 C PRO A 177 8.044 5.214 -0.043 1.00 7.58 C ATOM 334 O PRO A 177 7.214 6.122 0.049 1.00 7.42 O ATOM 335 CB PRO A 177 9.603 5.926 -1.882 1.00 8.76 C ATOM 336 CG PRO A 177 9.016 6.488 -3.143 1.00 8.86 C ATOM 337 CD PRO A 177 7.591 6.016 -3.216 1.00 8.23 C ATOM 0 HA PRO A 177 9.124 3.868 -1.236 1.00 7.96 H new ATOM 0 HB2 PRO A 177 9.718 6.705 -1.128 1.00 8.76 H new ATOM 0 HB3 PRO A 177 10.595 5.514 -2.068 1.00 8.76 H new ATOM 0 HG2 PRO A 177 9.061 7.577 -3.137 1.00 8.86 H new ATOM 0 HG3 PRO A 177 9.579 6.151 -4.013 1.00 8.86 H new ATOM 0 HD2 PRO A 177 6.901 6.743 -2.787 1.00 8.23 H new ATOM 0 HD3 PRO A 177 7.274 5.844 -4.244 1.00 8.23 H new ATOM 345 N ILE A 178 8.471 4.519 1.001 1.00 7.53 N ATOM 346 CA ILE A 178 7.990 4.772 2.350 1.00 7.29 C ATOM 347 C ILE A 178 8.588 6.069 2.901 1.00 7.90 C ATOM 348 O ILE A 178 9.799 6.282 2.824 1.00 8.45 O ATOM 349 CB ILE A 178 8.354 3.604 3.289 1.00 7.03 C ATOM 350 CG1 ILE A 178 8.034 2.265 2.620 1.00 6.56 C ATOM 351 CG2 ILE A 178 7.619 3.721 4.614 1.00 6.79 C ATOM 352 CD1 ILE A 178 9.035 1.174 2.940 1.00 6.69 C ATOM 0 H ILE A 178 9.157 3.767 0.937 1.00 7.53 H new ATOM 0 HA ILE A 178 6.905 4.867 2.303 1.00 7.29 H new ATOM 0 HB ILE A 178 9.424 3.651 3.490 1.00 7.03 H new ATOM 0 HG12 ILE A 178 7.042 1.940 2.933 1.00 6.56 H new ATOM 0 HG13 ILE A 178 7.997 2.407 1.540 1.00 6.56 H new ATOM 0 HG21 ILE A 178 7.894 2.885 5.257 1.00 6.79 H new ATOM 0 HG22 ILE A 178 7.892 4.658 5.100 1.00 6.79 H new ATOM 0 HG23 ILE A 178 6.544 3.704 4.436 1.00 6.79 H new ATOM 0 HD11 ILE A 178 8.745 0.254 2.432 1.00 6.69 H new ATOM 0 HD12 ILE A 178 10.026 1.478 2.602 1.00 6.69 H new ATOM 0 HD13 ILE A 178 9.056 1.003 4.016 1.00 6.69 H new ATOM 364 N PRO A 179 7.741 6.961 3.441 1.00 7.89 N ATOM 365 CA PRO A 179 8.186 8.237 4.010 1.00 8.51 C ATOM 366 C PRO A 179 8.987 8.054 5.297 1.00 8.75 C ATOM 367 O PRO A 179 8.858 7.035 5.982 1.00 8.38 O ATOM 368 CB PRO A 179 6.875 8.975 4.294 1.00 8.36 C ATOM 369 CG PRO A 179 5.858 7.907 4.449 1.00 7.74 C ATOM 370 CD PRO A 179 6.277 6.799 3.525 1.00 7.36 C ATOM 0 HA PRO A 179 8.855 8.772 3.336 1.00 8.51 H new ATOM 0 HB2 PRO A 179 6.951 9.581 5.197 1.00 8.36 H new ATOM 0 HB3 PRO A 179 6.617 9.650 3.478 1.00 8.36 H new ATOM 0 HG2 PRO A 179 5.812 7.558 5.481 1.00 7.74 H new ATOM 0 HG3 PRO A 179 4.864 8.274 4.192 1.00 7.74 H new ATOM 0 HD2 PRO A 179 6.003 5.821 3.920 1.00 7.36 H new ATOM 0 HD3 PRO A 179 5.805 6.891 2.547 1.00 7.36 H new ATOM 378 N LYS A 180 9.787 9.059 5.636 1.00 9.42 N ATOM 379 CA LYS A 180 10.623 9.019 6.830 1.00 9.77 C ATOM 380 C LYS A 180 9.783 8.872 8.093 1.00 9.52 C ATOM 381 O LYS A 180 10.198 8.220 9.052 1.00 9.52 O ATOM 382 CB LYS A 180 11.472 10.286 6.935 1.00 10.55 C ATOM 383 CG LYS A 180 12.445 10.470 5.784 1.00 10.96 C ATOM 384 CD LYS A 180 13.233 11.760 5.933 1.00 11.55 C ATOM 385 CE LYS A 180 14.276 11.907 4.842 1.00 12.03 C ATOM 386 NZ LYS A 180 15.281 10.813 4.878 1.00 12.47 N1+ ATOM 0 H LYS A 180 9.874 9.919 5.095 1.00 9.42 H new ATOM 0 HA LYS A 180 11.274 8.150 6.740 1.00 9.77 H new ATOM 0 HB2 LYS A 180 10.811 11.152 6.982 1.00 10.55 H new ATOM 0 HB3 LYS A 180 12.031 10.261 7.870 1.00 10.55 H new ATOM 0 HG2 LYS A 180 13.131 9.624 5.745 1.00 10.96 H new ATOM 0 HG3 LYS A 180 11.899 10.481 4.841 1.00 10.96 H new ATOM 0 HD2 LYS A 180 12.551 12.609 5.901 1.00 11.55 H new ATOM 0 HD3 LYS A 180 13.720 11.779 6.908 1.00 11.55 H new ATOM 0 HE2 LYS A 180 13.784 11.915 3.869 1.00 12.03 H new ATOM 0 HE3 LYS A 180 14.781 12.867 4.951 1.00 12.03 H new ATOM 0 HZ1 LYS A 180 16.110 11.085 4.312 1.00 12.47 H new ATOM 0 HZ2 LYS A 180 15.573 10.643 5.861 1.00 12.47 H new ATOM 0 HZ3 LYS A 180 14.864 9.945 4.486 1.00 12.47 H new ATOM 400 N GLN A 181 8.605 9.483 8.090 1.00 9.38 N ATOM 401 CA GLN A 181 7.703 9.420 9.234 1.00 9.25 C ATOM 402 C GLN A 181 7.286 7.985 9.535 1.00 8.64 C ATOM 403 O GLN A 181 7.158 7.595 10.694 1.00 8.66 O ATOM 404 CB GLN A 181 6.460 10.274 8.984 1.00 9.25 C ATOM 405 CG GLN A 181 6.659 11.748 9.285 1.00 9.84 C ATOM 406 CD GLN A 181 5.354 12.514 9.281 1.00 9.79 C ATOM 407 OE1 GLN A 181 4.943 13.063 8.258 1.00 9.75 O ATOM 408 NE2 GLN A 181 4.685 12.543 10.423 1.00 9.99 N ATOM 0 H GLN A 181 8.251 10.030 7.305 1.00 9.38 H new ATOM 0 HA GLN A 181 8.241 9.811 10.097 1.00 9.25 H new ATOM 0 HB2 GLN A 181 6.158 10.163 7.943 1.00 9.25 H new ATOM 0 HB3 GLN A 181 5.641 9.895 9.596 1.00 9.25 H new ATOM 0 HG2 GLN A 181 7.139 11.857 10.258 1.00 9.84 H new ATOM 0 HG3 GLN A 181 7.334 12.180 8.546 1.00 9.84 H new ATOM 0 HE21 GLN A 181 5.062 12.075 11.247 1.00 9.99 H new ATOM 0 HE22 GLN A 181 3.793 13.034 10.479 1.00 9.99 H new ATOM 417 N LEU A 182 7.093 7.198 8.488 1.00 8.14 N ATOM 418 CA LEU A 182 6.669 5.813 8.647 1.00 7.55 C ATOM 419 C LEU A 182 7.864 4.893 8.878 1.00 7.61 C ATOM 420 O LEU A 182 7.734 3.839 9.501 1.00 7.33 O ATOM 421 CB LEU A 182 5.881 5.363 7.417 1.00 6.99 C ATOM 422 CG LEU A 182 4.360 5.540 7.512 1.00 6.82 C ATOM 423 CD1 LEU A 182 3.989 6.997 7.750 1.00 6.67 C ATOM 424 CD2 LEU A 182 3.691 5.026 6.244 1.00 6.66 C ATOM 0 H LEU A 182 7.223 7.493 7.520 1.00 8.14 H new ATOM 0 HA LEU A 182 6.026 5.752 9.525 1.00 7.55 H new ATOM 0 HB2 LEU A 182 6.242 5.919 6.552 1.00 6.99 H new ATOM 0 HB3 LEU A 182 6.097 4.311 7.233 1.00 6.99 H new ATOM 0 HG LEU A 182 4.005 4.959 8.363 1.00 6.82 H new ATOM 0 HD11 LEU A 182 2.905 7.091 7.813 1.00 6.67 H new ATOM 0 HD12 LEU A 182 4.437 7.339 8.683 1.00 6.67 H new ATOM 0 HD13 LEU A 182 4.359 7.606 6.925 1.00 6.67 H new ATOM 0 HD21 LEU A 182 2.612 5.157 6.323 1.00 6.66 H new ATOM 0 HD22 LEU A 182 4.062 5.585 5.385 1.00 6.66 H new ATOM 0 HD23 LEU A 182 3.920 3.968 6.115 1.00 6.66 H new ATOM 436 N LEU A 183 9.031 5.316 8.402 1.00 8.04 N ATOM 437 CA LEU A 183 10.258 4.534 8.553 1.00 8.24 C ATOM 438 C LEU A 183 10.649 4.398 10.021 1.00 8.55 C ATOM 439 O LEU A 183 11.428 3.524 10.384 1.00 8.54 O ATOM 440 CB LEU A 183 11.408 5.173 7.766 1.00 8.80 C ATOM 441 CG LEU A 183 11.361 4.967 6.250 1.00 8.62 C ATOM 442 CD1 LEU A 183 12.511 5.705 5.579 1.00 9.31 C ATOM 443 CD2 LEU A 183 11.412 3.486 5.907 1.00 8.25 C ATOM 0 H LEU A 183 9.155 6.199 7.906 1.00 8.04 H new ATOM 0 HA LEU A 183 10.064 3.538 8.154 1.00 8.24 H new ATOM 0 HB2 LEU A 183 11.414 6.244 7.970 1.00 8.80 H new ATOM 0 HB3 LEU A 183 12.349 4.772 8.141 1.00 8.80 H new ATOM 0 HG LEU A 183 10.421 5.374 5.878 1.00 8.62 H new ATOM 0 HD11 LEU A 183 12.464 5.549 4.501 1.00 9.31 H new ATOM 0 HD12 LEU A 183 12.435 6.771 5.795 1.00 9.31 H new ATOM 0 HD13 LEU A 183 13.459 5.325 5.960 1.00 9.31 H new ATOM 0 HD21 LEU A 183 11.377 3.362 4.825 1.00 8.25 H new ATOM 0 HD22 LEU A 183 12.336 3.055 6.292 1.00 8.25 H new ATOM 0 HD23 LEU A 183 10.559 2.979 6.358 1.00 8.25 H new ATOM 455 N GLN A 184 10.104 5.267 10.863 1.00 8.87 N ATOM 456 CA GLN A 184 10.398 5.233 12.294 1.00 9.25 C ATOM 457 C GLN A 184 9.728 4.035 12.959 1.00 8.85 C ATOM 458 O GLN A 184 10.126 3.615 14.043 1.00 9.14 O ATOM 459 CB GLN A 184 9.926 6.517 12.962 1.00 9.76 C ATOM 460 CG GLN A 184 10.363 7.772 12.233 1.00 10.33 C ATOM 461 CD GLN A 184 9.851 9.028 12.892 1.00 10.90 C ATOM 462 OE1 GLN A 184 10.554 9.664 13.675 1.00 11.17 O ATOM 463 NE2 GLN A 184 8.614 9.381 12.602 1.00 11.29 N ATOM 0 H GLN A 184 9.457 6.004 10.582 1.00 8.87 H new ATOM 0 HA GLN A 184 11.478 5.141 12.413 1.00 9.25 H new ATOM 0 HB2 GLN A 184 8.838 6.505 13.028 1.00 9.76 H new ATOM 0 HB3 GLN A 184 10.307 6.548 13.983 1.00 9.76 H new ATOM 0 HG2 GLN A 184 11.452 7.804 12.192 1.00 10.33 H new ATOM 0 HG3 GLN A 184 10.006 7.734 11.204 1.00 10.33 H new ATOM 0 HE21 GLN A 184 8.065 8.825 11.946 1.00 11.29 H new ATOM 0 HE22 GLN A 184 8.206 10.210 13.033 1.00 11.29 H new ATOM 472 N ARG A 185 8.710 3.495 12.302 1.00 8.24 N ATOM 473 CA ARG A 185 7.986 2.346 12.827 1.00 7.89 C ATOM 474 C ARG A 185 8.738 1.063 12.501 1.00 7.66 C ATOM 475 O ARG A 185 8.628 0.059 13.205 1.00 7.54 O ATOM 476 CB ARG A 185 6.566 2.312 12.258 1.00 7.40 C ATOM 477 CG ARG A 185 5.644 3.349 12.884 1.00 7.66 C ATOM 478 CD ARG A 185 4.728 3.987 11.853 1.00 7.53 C ATOM 479 NE ARG A 185 4.940 5.430 11.747 1.00 7.91 N ATOM 480 CZ ARG A 185 3.974 6.319 11.511 1.00 8.28 C ATOM 481 NH1 ARG A 185 2.702 5.935 11.445 1.00 8.35 N1+ ATOM 482 NH2 ARG A 185 4.282 7.603 11.381 1.00 8.81 N ATOM 0 H ARG A 185 8.367 3.835 11.404 1.00 8.24 H new ATOM 0 HA ARG A 185 7.914 2.433 13.911 1.00 7.89 H new ATOM 0 HB2 ARG A 185 6.609 2.476 11.181 1.00 7.40 H new ATOM 0 HB3 ARG A 185 6.143 1.319 12.412 1.00 7.40 H new ATOM 0 HG2 ARG A 185 5.043 2.878 13.662 1.00 7.66 H new ATOM 0 HG3 ARG A 185 6.242 4.122 13.367 1.00 7.66 H new ATOM 0 HD2 ARG A 185 4.898 3.524 10.881 1.00 7.53 H new ATOM 0 HD3 ARG A 185 3.690 3.792 12.121 1.00 7.53 H new ATOM 0 HE ARG A 185 5.891 5.780 11.861 1.00 7.91 H new ATOM 0 HH11 ARG A 185 2.458 4.953 11.575 1.00 8.35 H new ATOM 0 HH12 ARG A 185 1.970 6.622 11.264 1.00 8.35 H new ATOM 0 HH21 ARG A 185 5.253 7.905 11.462 1.00 8.81 H new ATOM 0 HH22 ARG A 185 3.548 8.288 11.200 1.00 8.81 H new ATOM 496 N ILE A 186 9.511 1.110 11.427 1.00 7.69 N ATOM 497 CA ILE A 186 10.317 -0.022 11.004 1.00 7.57 C ATOM 498 C ILE A 186 11.749 0.446 10.760 1.00 8.20 C ATOM 499 O ILE A 186 12.138 0.741 9.633 1.00 8.43 O ATOM 500 CB ILE A 186 9.760 -0.688 9.726 1.00 7.11 C ATOM 501 CG1 ILE A 186 9.173 0.364 8.774 1.00 6.84 C ATOM 502 CG2 ILE A 186 8.715 -1.734 10.089 1.00 6.83 C ATOM 503 CD1 ILE A 186 8.894 -0.168 7.385 1.00 6.52 C ATOM 0 H ILE A 186 9.596 1.931 10.827 1.00 7.69 H new ATOM 0 HA ILE A 186 10.291 -0.769 11.798 1.00 7.57 H new ATOM 0 HB ILE A 186 10.581 -1.185 9.209 1.00 7.11 H new ATOM 0 HG12 ILE A 186 8.247 0.751 9.199 1.00 6.84 H new ATOM 0 HG13 ILE A 186 9.865 1.203 8.701 1.00 6.84 H new ATOM 0 HG21 ILE A 186 8.331 -2.195 9.179 1.00 6.83 H new ATOM 0 HG22 ILE A 186 9.169 -2.498 10.720 1.00 6.83 H new ATOM 0 HG23 ILE A 186 7.896 -1.258 10.628 1.00 6.83 H new ATOM 0 HD11 ILE A 186 8.481 0.629 6.766 1.00 6.52 H new ATOM 0 HD12 ILE A 186 9.822 -0.529 6.940 1.00 6.52 H new ATOM 0 HD13 ILE A 186 8.178 -0.988 7.446 1.00 6.52 H new ATOM 515 N PRO A 187 12.549 0.516 11.826 1.00 8.55 N ATOM 516 CA PRO A 187 13.925 0.972 11.752 1.00 9.18 C ATOM 517 C PRO A 187 14.931 -0.166 11.599 1.00 9.19 C ATOM 518 O PRO A 187 14.575 -1.344 11.692 1.00 8.73 O ATOM 519 CB PRO A 187 14.095 1.650 13.109 1.00 9.56 C ATOM 520 CG PRO A 187 13.214 0.881 14.044 1.00 9.11 C ATOM 521 CD PRO A 187 12.178 0.167 13.206 1.00 8.45 C ATOM 0 HA PRO A 187 14.108 1.607 10.885 1.00 9.18 H new ATOM 0 HB2 PRO A 187 15.135 1.623 13.435 1.00 9.56 H new ATOM 0 HB3 PRO A 187 13.802 2.699 13.065 1.00 9.56 H new ATOM 0 HG2 PRO A 187 13.799 0.166 14.622 1.00 9.11 H new ATOM 0 HG3 PRO A 187 12.735 1.551 14.758 1.00 9.11 H new ATOM 0 HD2 PRO A 187 12.205 -0.911 13.368 1.00 8.45 H new ATOM 0 HD3 PRO A 187 11.169 0.501 13.446 1.00 8.45 H new ATOM 529 N ASN A 188 16.187 0.211 11.366 1.00 9.77 N ATOM 530 CA ASN A 188 17.285 -0.739 11.212 1.00 9.94 C ATOM 531 C ASN A 188 17.046 -1.684 10.048 1.00 9.83 C ATOM 532 O ASN A 188 17.003 -2.904 10.216 1.00 9.99 O ATOM 533 CB ASN A 188 17.508 -1.535 12.498 1.00 9.66 C ATOM 534 CG ASN A 188 18.214 -0.724 13.564 1.00 9.91 C ATOM 535 OD1 ASN A 188 18.953 0.215 13.261 1.00 10.35 O ATOM 536 ND2 ASN A 188 17.991 -1.073 14.818 1.00 9.83 N ATOM 0 H ASN A 188 16.472 1.187 11.279 1.00 9.77 H new ATOM 0 HA ASN A 188 18.184 -0.159 11.000 1.00 9.94 H new ATOM 0 HB2 ASN A 188 16.547 -1.876 12.882 1.00 9.66 H new ATOM 0 HB3 ASN A 188 18.096 -2.425 12.274 1.00 9.66 H new ATOM 0 HD21 ASN A 188 18.437 -0.559 15.578 1.00 9.83 H new ATOM 0 HD22 ASN A 188 17.372 -1.857 15.027 1.00 9.83 H new ATOM 543 N ILE A 189 16.900 -1.114 8.864 1.00 9.66 N ATOM 544 CA ILE A 189 16.679 -1.913 7.671 1.00 9.64 C ATOM 545 C ILE A 189 17.989 -2.079 6.909 1.00 9.96 C ATOM 546 O ILE A 189 18.579 -1.097 6.460 1.00 9.97 O ATOM 547 CB ILE A 189 15.613 -1.284 6.744 1.00 9.24 C ATOM 548 CG1 ILE A 189 15.723 0.245 6.752 1.00 9.23 C ATOM 549 CG2 ILE A 189 14.219 -1.732 7.171 1.00 9.06 C ATOM 550 CD1 ILE A 189 14.827 0.932 5.741 1.00 9.09 C ATOM 0 H ILE A 189 16.930 -0.107 8.703 1.00 9.66 H new ATOM 0 HA ILE A 189 16.309 -2.887 7.991 1.00 9.64 H new ATOM 0 HB ILE A 189 15.789 -1.626 5.724 1.00 9.24 H new ATOM 0 HG12 ILE A 189 15.477 0.612 7.749 1.00 9.23 H new ATOM 0 HG13 ILE A 189 16.758 0.526 6.555 1.00 9.23 H new ATOM 0 HG21 ILE A 189 13.475 -1.284 6.512 1.00 9.06 H new ATOM 0 HG22 ILE A 189 14.151 -2.818 7.109 1.00 9.06 H new ATOM 0 HG23 ILE A 189 14.033 -1.415 8.197 1.00 9.06 H new ATOM 0 HD11 ILE A 189 14.963 2.011 5.809 1.00 9.09 H new ATOM 0 HD12 ILE A 189 15.087 0.596 4.737 1.00 9.09 H new ATOM 0 HD13 ILE A 189 13.786 0.683 5.949 1.00 9.09 H new ATOM 562 N PRO A 190 18.451 -3.329 6.749 1.00 10.38 N ATOM 563 CA PRO A 190 19.704 -3.642 6.046 1.00 10.85 C ATOM 564 C PRO A 190 19.800 -3.068 4.617 1.00 10.73 C ATOM 565 O PRO A 190 20.800 -2.425 4.296 1.00 11.03 O ATOM 566 CB PRO A 190 19.741 -5.172 6.029 1.00 11.43 C ATOM 567 CG PRO A 190 18.882 -5.588 7.167 1.00 11.22 C ATOM 568 CD PRO A 190 17.809 -4.542 7.287 1.00 10.57 C ATOM 0 HA PRO A 190 20.552 -3.183 6.554 1.00 10.85 H new ATOM 0 HB2 PRO A 190 19.364 -5.566 5.085 1.00 11.43 H new ATOM 0 HB3 PRO A 190 20.759 -5.544 6.146 1.00 11.43 H new ATOM 0 HG2 PRO A 190 18.448 -6.572 6.988 1.00 11.22 H new ATOM 0 HG3 PRO A 190 19.462 -5.658 8.087 1.00 11.22 H new ATOM 0 HD2 PRO A 190 16.920 -4.812 6.718 1.00 10.57 H new ATOM 0 HD3 PRO A 190 17.496 -4.405 8.322 1.00 10.57 H new ATOM 576 N PRO A 191 18.786 -3.267 3.732 1.00 10.37 N ATOM 577 CA PRO A 191 18.845 -2.740 2.363 1.00 10.30 C ATOM 578 C PRO A 191 18.789 -1.216 2.328 1.00 10.68 C ATOM 579 O PRO A 191 19.386 -0.585 1.457 1.00 10.94 O ATOM 580 CB PRO A 191 17.605 -3.334 1.691 1.00 9.89 C ATOM 581 CG PRO A 191 16.671 -3.637 2.802 1.00 9.82 C ATOM 582 CD PRO A 191 17.530 -4.005 3.977 1.00 10.13 C ATOM 0 HA PRO A 191 19.779 -3.005 1.868 1.00 10.30 H new ATOM 0 HB2 PRO A 191 17.163 -2.630 0.986 1.00 9.89 H new ATOM 0 HB3 PRO A 191 17.854 -4.234 1.129 1.00 9.89 H new ATOM 0 HG2 PRO A 191 16.045 -2.775 3.031 1.00 9.82 H new ATOM 0 HG3 PRO A 191 16.002 -4.455 2.537 1.00 9.82 H new ATOM 0 HD2 PRO A 191 17.069 -3.710 4.919 1.00 10.13 H new ATOM 0 HD3 PRO A 191 17.700 -5.080 4.028 1.00 10.13 H new ATOM 590 N ASN A 192 18.066 -0.640 3.290 1.00 10.83 N ATOM 591 CA ASN A 192 17.914 0.811 3.405 1.00 11.33 C ATOM 592 C ASN A 192 17.334 1.412 2.128 1.00 11.24 C ATOM 593 O ASN A 192 17.795 2.448 1.645 1.00 11.75 O ATOM 594 CB ASN A 192 19.256 1.472 3.736 1.00 11.90 C ATOM 595 CG ASN A 192 19.118 2.570 4.775 1.00 12.46 C ATOM 596 OD1 ASN A 192 18.811 3.718 4.451 1.00 12.68 O ATOM 597 ND2 ASN A 192 19.346 2.222 6.033 1.00 12.84 N ATOM 0 H ASN A 192 17.570 -1.165 4.010 1.00 10.83 H new ATOM 0 HA ASN A 192 17.216 1.004 4.219 1.00 11.33 H new ATOM 0 HB2 ASN A 192 19.951 0.715 4.101 1.00 11.90 H new ATOM 0 HB3 ASN A 192 19.687 1.889 2.826 1.00 11.90 H new ATOM 0 HD21 ASN A 192 19.270 2.916 6.776 1.00 12.84 H new ATOM 0 HD22 ASN A 192 19.598 1.260 6.258 1.00 12.84 H new ATOM 604 N ILE A 193 16.321 0.755 1.589 1.00 10.63 N ATOM 605 CA ILE A 193 15.661 1.213 0.374 1.00 10.51 C ATOM 606 C ILE A 193 14.281 1.770 0.724 1.00 9.90 C ATOM 607 O ILE A 193 13.709 1.404 1.747 1.00 9.52 O ATOM 608 CB ILE A 193 15.536 0.069 -0.660 1.00 10.37 C ATOM 609 CG1 ILE A 193 16.893 -0.615 -0.848 1.00 10.58 C ATOM 610 CG2 ILE A 193 15.030 0.598 -1.990 1.00 10.81 C ATOM 611 CD1 ILE A 193 16.820 -1.915 -1.616 1.00 10.26 C ATOM 0 H ILE A 193 15.934 -0.105 1.977 1.00 10.63 H new ATOM 0 HA ILE A 193 16.266 2.000 -0.076 1.00 10.51 H new ATOM 0 HB ILE A 193 14.817 -0.659 -0.285 1.00 10.37 H new ATOM 0 HG12 ILE A 193 17.564 0.067 -1.370 1.00 10.58 H new ATOM 0 HG13 ILE A 193 17.332 -0.807 0.131 1.00 10.58 H new ATOM 0 HG21 ILE A 193 14.950 -0.224 -2.702 1.00 10.81 H new ATOM 0 HG22 ILE A 193 14.050 1.054 -1.851 1.00 10.81 H new ATOM 0 HG23 ILE A 193 15.726 1.344 -2.374 1.00 10.81 H new ATOM 0 HD11 ILE A 193 17.820 -2.340 -1.708 1.00 10.26 H new ATOM 0 HD12 ILE A 193 16.176 -2.616 -1.085 1.00 10.26 H new ATOM 0 HD13 ILE A 193 16.412 -1.728 -2.609 1.00 10.26 H new ATOM 623 N ASN A 194 13.751 2.656 -0.113 1.00 9.87 N ATOM 624 CA ASN A 194 12.456 3.268 0.161 1.00 9.35 C ATOM 625 C ASN A 194 11.331 2.701 -0.697 1.00 8.86 C ATOM 626 O ASN A 194 10.188 2.660 -0.253 1.00 8.57 O ATOM 627 CB ASN A 194 12.524 4.784 -0.042 1.00 9.78 C ATOM 628 CG ASN A 194 13.321 5.489 1.035 1.00 10.10 C ATOM 629 OD1 ASN A 194 14.539 5.646 0.919 1.00 10.43 O ATOM 630 ND2 ASN A 194 12.644 5.930 2.085 1.00 10.17 N ATOM 0 H ASN A 194 14.193 2.964 -0.979 1.00 9.87 H new ATOM 0 HA ASN A 194 12.227 3.034 1.201 1.00 9.35 H new ATOM 0 HB2 ASN A 194 12.970 4.995 -1.014 1.00 9.78 H new ATOM 0 HB3 ASN A 194 11.512 5.188 -0.061 1.00 9.78 H new ATOM 0 HD21 ASN A 194 13.130 6.420 2.836 1.00 10.17 H new ATOM 0 HD22 ASN A 194 11.637 5.779 2.142 1.00 10.17 H new ATOM 637 N THR A 195 11.632 2.246 -1.906 1.00 8.88 N ATOM 638 CA THR A 195 10.585 1.728 -2.784 1.00 8.49 C ATOM 639 C THR A 195 10.066 0.381 -2.293 1.00 7.92 C ATOM 640 O THR A 195 10.850 -0.533 -2.030 1.00 8.08 O ATOM 641 CB THR A 195 11.118 1.574 -4.224 1.00 9.05 C ATOM 642 OG1 THR A 195 12.438 1.013 -4.184 1.00 9.80 O ATOM 643 CG2 THR A 195 11.156 2.912 -4.948 1.00 8.98 C ATOM 0 H THR A 195 12.573 2.223 -2.298 1.00 8.88 H new ATOM 0 HA THR A 195 9.763 2.444 -2.772 1.00 8.49 H new ATOM 0 HB THR A 195 10.444 0.913 -4.769 1.00 9.05 H new ATOM 0 HG1 THR A 195 12.377 0.041 -4.071 1.00 9.80 H new ATOM 0 HG21 THR A 195 11.536 2.768 -5.959 1.00 8.98 H new ATOM 0 HG22 THR A 195 10.150 3.329 -4.995 1.00 8.98 H new ATOM 0 HG23 THR A 195 11.809 3.599 -4.409 1.00 8.98 H new ATOM 651 N TRP A 196 8.737 0.251 -2.253 1.00 7.29 N ATOM 652 CA TRP A 196 8.062 -0.960 -1.769 1.00 6.73 C ATOM 653 C TRP A 196 8.498 -2.229 -2.492 1.00 7.00 C ATOM 654 O TRP A 196 8.684 -3.257 -1.852 1.00 6.84 O ATOM 655 CB TRP A 196 6.540 -0.810 -1.864 1.00 6.14 C ATOM 656 CG TRP A 196 5.919 -0.393 -0.568 1.00 5.65 C ATOM 657 CD1 TRP A 196 5.141 0.703 -0.347 1.00 5.54 C ATOM 658 CD2 TRP A 196 6.033 -1.064 0.696 1.00 5.33 C ATOM 659 NE1 TRP A 196 4.765 0.757 0.970 1.00 5.20 N ATOM 660 CE2 TRP A 196 5.298 -0.317 1.633 1.00 5.06 C ATOM 661 CE3 TRP A 196 6.686 -2.225 1.123 1.00 5.33 C ATOM 662 CZ2 TRP A 196 5.193 -0.694 2.970 1.00 4.84 C ATOM 663 CZ3 TRP A 196 6.584 -2.600 2.448 1.00 5.05 C ATOM 664 CH2 TRP A 196 5.840 -1.833 3.359 1.00 4.82 C ATOM 0 H TRP A 196 8.096 0.984 -2.556 1.00 7.29 H new ATOM 0 HA TRP A 196 8.360 -1.068 -0.726 1.00 6.73 H new ATOM 0 HB2 TRP A 196 6.299 -0.074 -2.631 1.00 6.14 H new ATOM 0 HB3 TRP A 196 6.105 -1.757 -2.183 1.00 6.14 H new ATOM 0 HD1 TRP A 196 4.861 1.425 -1.100 1.00 5.54 H new ATOM 0 HE1 TRP A 196 4.182 1.481 1.389 1.00 5.20 H new ATOM 0 HE3 TRP A 196 7.261 -2.819 0.427 1.00 5.33 H new ATOM 0 HZ2 TRP A 196 4.621 -0.107 3.674 1.00 4.84 H new ATOM 0 HZ3 TRP A 196 7.083 -3.495 2.788 1.00 5.05 H new ATOM 0 HH2 TRP A 196 5.778 -2.150 4.389 1.00 4.82 H new ATOM 675 N GLN A 197 8.663 -2.158 -3.805 1.00 7.47 N ATOM 676 CA GLN A 197 9.069 -3.327 -4.586 1.00 7.85 C ATOM 677 C GLN A 197 10.395 -3.902 -4.086 1.00 8.27 C ATOM 678 O GLN A 197 10.595 -5.112 -4.087 1.00 8.37 O ATOM 679 CB GLN A 197 9.169 -2.974 -6.073 1.00 8.38 C ATOM 680 CG GLN A 197 7.838 -3.051 -6.806 1.00 8.33 C ATOM 681 CD GLN A 197 7.997 -2.974 -8.311 1.00 8.43 C ATOM 682 OE1 GLN A 197 7.890 -1.903 -8.910 1.00 8.59 O ATOM 683 NE2 GLN A 197 8.273 -4.108 -8.933 1.00 8.60 N ATOM 0 H GLN A 197 8.524 -1.309 -4.354 1.00 7.47 H new ATOM 0 HA GLN A 197 8.303 -4.091 -4.457 1.00 7.85 H new ATOM 0 HB2 GLN A 197 9.572 -1.966 -6.173 1.00 8.38 H new ATOM 0 HB3 GLN A 197 9.878 -3.649 -6.552 1.00 8.38 H new ATOM 0 HG2 GLN A 197 7.337 -3.983 -6.544 1.00 8.33 H new ATOM 0 HG3 GLN A 197 7.195 -2.238 -6.470 1.00 8.33 H new ATOM 0 HE21 GLN A 197 8.354 -4.975 -8.401 1.00 8.60 H new ATOM 0 HE22 GLN A 197 8.405 -4.116 -9.944 1.00 8.60 H new ATOM 692 N GLN A 198 11.299 -3.028 -3.667 1.00 8.57 N ATOM 693 CA GLN A 198 12.594 -3.456 -3.157 1.00 9.03 C ATOM 694 C GLN A 198 12.530 -3.731 -1.652 1.00 8.61 C ATOM 695 O GLN A 198 13.323 -4.506 -1.118 1.00 8.82 O ATOM 696 CB GLN A 198 13.656 -2.401 -3.460 1.00 9.66 C ATOM 697 CG GLN A 198 13.877 -2.178 -4.949 1.00 10.19 C ATOM 698 CD GLN A 198 15.070 -1.289 -5.238 1.00 10.85 C ATOM 699 OE1 GLN A 198 16.189 -1.765 -5.416 1.00 11.11 O ATOM 700 NE2 GLN A 198 14.835 0.011 -5.284 1.00 11.29 N ATOM 0 H GLN A 198 11.160 -2.018 -3.670 1.00 8.57 H new ATOM 0 HA GLN A 198 12.866 -4.385 -3.658 1.00 9.03 H new ATOM 0 HB2 GLN A 198 13.363 -1.458 -2.998 1.00 9.66 H new ATOM 0 HB3 GLN A 198 14.598 -2.702 -3.001 1.00 9.66 H new ATOM 0 HG2 GLN A 198 14.020 -3.141 -5.439 1.00 10.19 H new ATOM 0 HG3 GLN A 198 12.982 -1.730 -5.382 1.00 10.19 H new ATOM 0 HE21 GLN A 198 13.891 0.364 -5.130 1.00 11.29 H new ATOM 0 HE22 GLN A 198 15.598 0.661 -5.473 1.00 11.29 H new ATOM 709 N VAL A 199 11.589 -3.080 -0.972 1.00 8.07 N ATOM 710 CA VAL A 199 11.416 -3.258 0.467 1.00 7.70 C ATOM 711 C VAL A 199 10.759 -4.607 0.784 1.00 7.32 C ATOM 712 O VAL A 199 11.125 -5.273 1.751 1.00 7.31 O ATOM 713 CB VAL A 199 10.570 -2.115 1.088 1.00 7.25 C ATOM 714 CG1 VAL A 199 10.357 -2.347 2.578 1.00 7.19 C ATOM 715 CG2 VAL A 199 11.223 -0.756 0.856 1.00 7.41 C ATOM 0 H VAL A 199 10.934 -2.423 -1.396 1.00 8.07 H new ATOM 0 HA VAL A 199 12.412 -3.233 0.908 1.00 7.70 H new ATOM 0 HB VAL A 199 9.599 -2.117 0.592 1.00 7.25 H new ATOM 0 HG11 VAL A 199 9.761 -1.533 2.991 1.00 7.19 H new ATOM 0 HG12 VAL A 199 9.834 -3.292 2.728 1.00 7.19 H new ATOM 0 HG13 VAL A 199 11.323 -2.383 3.082 1.00 7.19 H new ATOM 0 HG21 VAL A 199 10.607 0.025 1.302 1.00 7.41 H new ATOM 0 HG22 VAL A 199 12.212 -0.744 1.314 1.00 7.41 H new ATOM 0 HG23 VAL A 199 11.317 -0.576 -0.215 1.00 7.41 H new ATOM 725 N THR A 200 9.816 -5.026 -0.055 1.00 7.10 N ATOM 726 CA THR A 200 9.111 -6.292 0.150 1.00 6.83 C ATOM 727 C THR A 200 10.065 -7.484 0.031 1.00 7.39 C ATOM 728 O THR A 200 9.800 -8.565 0.558 1.00 7.30 O ATOM 729 CB THR A 200 7.953 -6.450 -0.855 1.00 6.60 C ATOM 730 OG1 THR A 200 8.303 -5.834 -2.097 1.00 6.76 O ATOM 731 CG2 THR A 200 6.666 -5.832 -0.314 1.00 6.11 C ATOM 0 H THR A 200 9.521 -4.509 -0.883 1.00 7.10 H new ATOM 0 HA THR A 200 8.701 -6.274 1.160 1.00 6.83 H new ATOM 0 HB THR A 200 7.779 -7.515 -1.011 1.00 6.60 H new ATOM 0 HG1 THR A 200 8.067 -4.883 -2.069 1.00 6.76 H new ATOM 0 HG21 THR A 200 5.867 -5.958 -1.044 1.00 6.11 H new ATOM 0 HG22 THR A 200 6.388 -6.326 0.617 1.00 6.11 H new ATOM 0 HG23 THR A 200 6.823 -4.769 -0.128 1.00 6.11 H new ATOM 739 N ALA A 201 11.188 -7.262 -0.650 1.00 8.02 N ATOM 740 CA ALA A 201 12.209 -8.291 -0.846 1.00 8.63 C ATOM 741 C ALA A 201 12.837 -8.714 0.483 1.00 8.64 C ATOM 742 O ALA A 201 13.403 -9.802 0.590 1.00 8.93 O ATOM 743 CB ALA A 201 13.288 -7.783 -1.794 1.00 9.32 C ATOM 0 H ALA A 201 11.416 -6.366 -1.081 1.00 8.02 H new ATOM 0 HA ALA A 201 11.726 -9.165 -1.283 1.00 8.63 H new ATOM 0 HB1 ALA A 201 14.043 -8.556 -1.933 1.00 9.32 H new ATOM 0 HB2 ALA A 201 12.840 -7.536 -2.756 1.00 9.32 H new ATOM 0 HB3 ALA A 201 13.754 -6.893 -1.371 1.00 9.32 H new ATOM 749 N LEU A 202 12.738 -7.838 1.483 1.00 8.38 N ATOM 750 CA LEU A 202 13.297 -8.084 2.816 1.00 8.45 C ATOM 751 C LEU A 202 12.949 -9.476 3.356 1.00 8.04 C ATOM 752 O LEU A 202 13.800 -10.153 3.939 1.00 8.27 O ATOM 753 CB LEU A 202 12.787 -7.024 3.793 1.00 8.32 C ATOM 754 CG LEU A 202 13.700 -5.813 3.989 1.00 8.50 C ATOM 755 CD1 LEU A 202 12.908 -4.630 4.524 1.00 8.35 C ATOM 756 CD2 LEU A 202 14.836 -6.159 4.938 1.00 9.03 C ATOM 0 H LEU A 202 12.268 -6.937 1.394 1.00 8.38 H new ATOM 0 HA LEU A 202 14.382 -8.030 2.722 1.00 8.45 H new ATOM 0 HB2 LEU A 202 11.816 -6.672 3.445 1.00 8.32 H new ATOM 0 HB3 LEU A 202 12.626 -7.496 4.762 1.00 8.32 H new ATOM 0 HG LEU A 202 14.122 -5.538 3.023 1.00 8.50 H new ATOM 0 HD11 LEU A 202 13.573 -3.777 4.657 1.00 8.35 H new ATOM 0 HD12 LEU A 202 12.121 -4.369 3.816 1.00 8.35 H new ATOM 0 HD13 LEU A 202 12.461 -4.895 5.482 1.00 8.35 H new ATOM 0 HD21 LEU A 202 15.479 -5.288 5.069 1.00 9.03 H new ATOM 0 HD22 LEU A 202 14.426 -6.456 5.903 1.00 9.03 H new ATOM 0 HD23 LEU A 202 15.419 -6.981 4.523 1.00 9.03 H new ATOM 768 N ALA A 203 11.712 -9.909 3.154 1.00 7.51 N ATOM 769 CA ALA A 203 11.284 -11.215 3.641 1.00 7.19 C ATOM 770 C ALA A 203 11.805 -12.335 2.749 1.00 7.64 C ATOM 771 O ALA A 203 12.193 -13.393 3.236 1.00 7.71 O ATOM 772 CB ALA A 203 9.770 -11.278 3.741 1.00 6.60 C ATOM 0 H ALA A 203 10.992 -9.381 2.661 1.00 7.51 H new ATOM 0 HA ALA A 203 11.706 -11.354 4.637 1.00 7.19 H new ATOM 0 HB1 ALA A 203 9.470 -12.260 4.106 1.00 6.60 H new ATOM 0 HB2 ALA A 203 9.419 -10.511 4.432 1.00 6.60 H new ATOM 0 HB3 ALA A 203 9.333 -11.108 2.757 1.00 6.60 H new ATOM 778 N GLN A 204 11.828 -12.090 1.446 1.00 8.03 N ATOM 779 CA GLN A 204 12.302 -13.081 0.487 1.00 8.56 C ATOM 780 C GLN A 204 13.802 -13.315 0.640 1.00 9.11 C ATOM 781 O GLN A 204 14.314 -14.373 0.274 1.00 9.51 O ATOM 782 CB GLN A 204 11.986 -12.644 -0.949 1.00 8.89 C ATOM 783 CG GLN A 204 10.538 -12.878 -1.363 1.00 8.56 C ATOM 784 CD GLN A 204 9.590 -11.817 -0.831 1.00 8.93 C ATOM 785 OE1 GLN A 204 9.050 -11.942 0.269 1.00 9.22 O ATOM 786 NE2 GLN A 204 9.381 -10.768 -1.610 1.00 9.16 N ATOM 0 H GLN A 204 11.523 -11.211 1.027 1.00 8.03 H new ATOM 0 HA GLN A 204 11.781 -14.016 0.692 1.00 8.56 H new ATOM 0 HB2 GLN A 204 12.217 -11.584 -1.054 1.00 8.89 H new ATOM 0 HB3 GLN A 204 12.641 -13.182 -1.634 1.00 8.89 H new ATOM 0 HG2 GLN A 204 10.476 -12.900 -2.451 1.00 8.56 H new ATOM 0 HG3 GLN A 204 10.217 -13.856 -1.005 1.00 8.56 H new ATOM 0 HE21 GLN A 204 9.848 -10.703 -2.514 1.00 9.16 H new ATOM 0 HE22 GLN A 204 8.753 -10.024 -1.306 1.00 9.16 H new ATOM 795 N GLN A 205 14.503 -12.324 1.174 1.00 9.17 N ATOM 796 CA GLN A 205 15.942 -12.433 1.380 1.00 9.72 C ATOM 797 C GLN A 205 16.247 -12.928 2.787 1.00 9.52 C ATOM 798 O GLN A 205 17.410 -13.009 3.185 1.00 9.93 O ATOM 799 CB GLN A 205 16.634 -11.090 1.131 1.00 10.00 C ATOM 800 CG GLN A 205 16.645 -10.671 -0.331 1.00 10.36 C ATOM 801 CD GLN A 205 17.441 -11.613 -1.222 1.00 10.95 C ATOM 802 OE1 GLN A 205 17.498 -12.823 -0.989 1.00 11.13 O ATOM 803 NE2 GLN A 205 18.064 -11.067 -2.251 1.00 11.44 N ATOM 0 H GLN A 205 14.100 -11.436 1.472 1.00 9.17 H new ATOM 0 HA GLN A 205 16.329 -13.157 0.663 1.00 9.72 H new ATOM 0 HB2 GLN A 205 16.134 -10.319 1.717 1.00 10.00 H new ATOM 0 HB3 GLN A 205 17.661 -11.148 1.491 1.00 10.00 H new ATOM 0 HG2 GLN A 205 15.619 -10.619 -0.694 1.00 10.36 H new ATOM 0 HG3 GLN A 205 17.063 -9.667 -0.411 1.00 10.36 H new ATOM 0 HE21 GLN A 205 17.995 -10.062 -2.414 1.00 11.44 H new ATOM 0 HE22 GLN A 205 18.614 -11.650 -2.882 1.00 11.44 H new ATOM 812 N LYS A 206 15.186 -13.249 3.527 1.00 8.93 N ATOM 813 CA LYS A 206 15.293 -13.758 4.896 1.00 8.75 C ATOM 814 C LYS A 206 15.918 -12.729 5.839 1.00 8.72 C ATOM 815 O LYS A 206 16.609 -13.086 6.794 1.00 8.89 O ATOM 816 CB LYS A 206 16.094 -15.067 4.920 1.00 9.26 C ATOM 817 CG LYS A 206 15.390 -16.218 4.216 1.00 9.36 C ATOM 818 CD LYS A 206 16.002 -16.519 2.855 1.00 9.64 C ATOM 819 CE LYS A 206 15.026 -17.271 1.965 1.00 9.95 C ATOM 820 NZ LYS A 206 15.720 -18.005 0.875 1.00 10.29 N1+ ATOM 0 H LYS A 206 14.226 -13.164 3.194 1.00 8.93 H new ATOM 0 HA LYS A 206 14.282 -13.956 5.253 1.00 8.75 H new ATOM 0 HB2 LYS A 206 17.063 -14.900 4.449 1.00 9.26 H new ATOM 0 HB3 LYS A 206 16.287 -15.347 5.955 1.00 9.26 H new ATOM 0 HG2 LYS A 206 15.441 -17.110 4.841 1.00 9.36 H new ATOM 0 HG3 LYS A 206 14.335 -15.975 4.092 1.00 9.36 H new ATOM 0 HD2 LYS A 206 16.295 -15.587 2.371 1.00 9.64 H new ATOM 0 HD3 LYS A 206 16.909 -17.110 2.984 1.00 9.64 H new ATOM 0 HE2 LYS A 206 14.453 -17.975 2.569 1.00 9.95 H new ATOM 0 HE3 LYS A 206 14.314 -16.568 1.533 1.00 9.95 H new ATOM 0 HZ1 LYS A 206 15.019 -18.504 0.291 1.00 10.29 H new ATOM 0 HZ2 LYS A 206 16.246 -17.331 0.283 1.00 10.29 H new ATOM 0 HZ3 LYS A 206 16.381 -18.694 1.287 1.00 10.29 H new ATOM 834 N LEU A 207 15.657 -11.455 5.579 1.00 8.58 N ATOM 835 CA LEU A 207 16.189 -10.383 6.409 1.00 8.66 C ATOM 836 C LEU A 207 15.131 -9.904 7.393 1.00 8.06 C ATOM 837 O LEU A 207 15.436 -9.549 8.530 1.00 8.10 O ATOM 838 CB LEU A 207 16.652 -9.212 5.539 1.00 9.02 C ATOM 839 CG LEU A 207 17.706 -9.557 4.485 1.00 9.66 C ATOM 840 CD1 LEU A 207 17.902 -8.390 3.526 1.00 9.96 C ATOM 841 CD2 LEU A 207 19.020 -9.924 5.153 1.00 10.21 C ATOM 0 H LEU A 207 15.080 -11.139 4.800 1.00 8.58 H new ATOM 0 HA LEU A 207 17.044 -10.771 6.964 1.00 8.66 H new ATOM 0 HB2 LEU A 207 15.783 -8.789 5.035 1.00 9.02 H new ATOM 0 HB3 LEU A 207 17.053 -8.434 6.189 1.00 9.02 H new ATOM 0 HG LEU A 207 17.357 -10.417 3.913 1.00 9.66 H new ATOM 0 HD11 LEU A 207 18.655 -8.652 2.783 1.00 9.96 H new ATOM 0 HD12 LEU A 207 16.960 -8.168 3.025 1.00 9.96 H new ATOM 0 HD13 LEU A 207 18.232 -7.513 4.083 1.00 9.96 H new ATOM 0 HD21 LEU A 207 19.760 -10.167 4.391 1.00 10.21 H new ATOM 0 HD22 LEU A 207 19.374 -9.081 5.747 1.00 10.21 H new ATOM 0 HD23 LEU A 207 18.870 -10.787 5.801 1.00 10.21 H new ATOM 853 N LEU A 208 13.882 -9.900 6.940 1.00 7.59 N ATOM 854 CA LEU A 208 12.757 -9.468 7.762 1.00 7.05 C ATOM 855 C LEU A 208 12.441 -10.519 8.817 1.00 6.95 C ATOM 856 O LEU A 208 12.193 -11.681 8.496 1.00 6.96 O ATOM 857 CB LEU A 208 11.527 -9.227 6.879 1.00 6.63 C ATOM 858 CG LEU A 208 10.573 -8.132 7.361 1.00 6.34 C ATOM 859 CD1 LEU A 208 11.281 -6.783 7.399 1.00 6.60 C ATOM 860 CD2 LEU A 208 9.346 -8.065 6.464 1.00 5.96 C ATOM 0 H LEU A 208 13.622 -10.194 5.999 1.00 7.59 H new ATOM 0 HA LEU A 208 13.025 -8.538 8.263 1.00 7.05 H new ATOM 0 HB2 LEU A 208 11.867 -8.972 5.875 1.00 6.63 H new ATOM 0 HB3 LEU A 208 10.970 -10.161 6.800 1.00 6.63 H new ATOM 0 HG LEU A 208 10.249 -8.378 8.372 1.00 6.34 H new ATOM 0 HD11 LEU A 208 10.586 -6.017 7.744 1.00 6.60 H new ATOM 0 HD12 LEU A 208 12.130 -6.837 8.081 1.00 6.60 H new ATOM 0 HD13 LEU A 208 11.634 -6.529 6.399 1.00 6.60 H new ATOM 0 HD21 LEU A 208 8.677 -7.281 6.820 1.00 5.96 H new ATOM 0 HD22 LEU A 208 9.654 -7.843 5.442 1.00 5.96 H new ATOM 0 HD23 LEU A 208 8.826 -9.023 6.486 1.00 5.96 H new ATOM 872 N THR A 209 12.456 -10.110 10.072 1.00 6.97 N ATOM 873 CA THR A 209 12.170 -11.017 11.165 1.00 7.00 C ATOM 874 C THR A 209 10.666 -11.061 11.430 1.00 6.57 C ATOM 875 O THR A 209 9.924 -10.209 10.929 1.00 6.24 O ATOM 876 CB THR A 209 12.908 -10.582 12.447 1.00 7.40 C ATOM 877 OG1 THR A 209 12.400 -9.320 12.904 1.00 7.39 O ATOM 878 CG2 THR A 209 14.407 -10.478 12.199 1.00 7.89 C ATOM 0 H THR A 209 12.664 -9.153 10.359 1.00 6.97 H new ATOM 0 HA THR A 209 12.518 -12.010 10.882 1.00 7.00 H new ATOM 0 HB THR A 209 12.736 -11.337 13.214 1.00 7.40 H new ATOM 0 HG1 THR A 209 12.846 -8.593 12.421 1.00 7.39 H new ATOM 0 HG21 THR A 209 14.907 -10.170 13.117 1.00 7.89 H new ATOM 0 HG22 THR A 209 14.792 -11.448 11.884 1.00 7.89 H new ATOM 0 HG23 THR A 209 14.596 -9.742 11.418 1.00 7.89 H new ATOM 886 N PRO A 210 10.181 -12.049 12.205 1.00 6.66 N ATOM 887 CA PRO A 210 8.756 -12.163 12.533 1.00 6.45 C ATOM 888 C PRO A 210 8.255 -10.936 13.290 1.00 6.38 C ATOM 889 O PRO A 210 7.050 -10.680 13.362 1.00 6.16 O ATOM 890 CB PRO A 210 8.679 -13.411 13.420 1.00 6.85 C ATOM 891 CG PRO A 210 9.923 -14.172 13.133 1.00 7.16 C ATOM 892 CD PRO A 210 10.967 -13.144 12.806 1.00 7.08 C ATOM 0 HA PRO A 210 8.134 -12.234 11.641 1.00 6.45 H new ATOM 0 HB2 PRO A 210 8.617 -13.141 14.474 1.00 6.85 H new ATOM 0 HB3 PRO A 210 7.793 -14.003 13.190 1.00 6.85 H new ATOM 0 HG2 PRO A 210 10.221 -14.772 13.993 1.00 7.16 H new ATOM 0 HG3 PRO A 210 9.777 -14.859 12.300 1.00 7.16 H new ATOM 0 HD2 PRO A 210 11.502 -12.815 13.697 1.00 7.08 H new ATOM 0 HD3 PRO A 210 11.713 -13.533 12.112 1.00 7.08 H new ATOM 900 N GLN A 211 9.192 -10.169 13.842 1.00 6.66 N ATOM 901 CA GLN A 211 8.862 -8.962 14.583 1.00 6.77 C ATOM 902 C GLN A 211 8.599 -7.804 13.624 1.00 6.45 C ATOM 903 O GLN A 211 7.672 -7.017 13.822 1.00 6.38 O ATOM 904 CB GLN A 211 10.000 -8.596 15.535 1.00 7.30 C ATOM 905 CG GLN A 211 9.562 -7.720 16.696 1.00 7.72 C ATOM 906 CD GLN A 211 10.711 -6.961 17.323 1.00 8.30 C ATOM 907 OE1 GLN A 211 10.948 -5.798 16.999 1.00 8.70 O ATOM 908 NE2 GLN A 211 11.444 -7.615 18.210 1.00 8.61 N ATOM 0 H GLN A 211 10.191 -10.367 13.787 1.00 6.66 H new ATOM 0 HA GLN A 211 7.960 -9.152 15.164 1.00 6.77 H new ATOM 0 HB2 GLN A 211 10.443 -9.511 15.928 1.00 7.30 H new ATOM 0 HB3 GLN A 211 10.780 -8.080 14.975 1.00 7.30 H new ATOM 0 HG2 GLN A 211 8.811 -7.011 16.347 1.00 7.72 H new ATOM 0 HG3 GLN A 211 9.086 -8.341 17.455 1.00 7.72 H new ATOM 0 HE21 GLN A 211 11.213 -8.579 18.451 1.00 8.61 H new ATOM 0 HE22 GLN A 211 12.239 -7.155 18.653 1.00 8.61 H new ATOM 917 N ASP A 212 9.407 -7.717 12.568 1.00 6.37 N ATOM 918 CA ASP A 212 9.261 -6.645 11.589 1.00 6.18 C ATOM 919 C ASP A 212 8.070 -6.917 10.686 1.00 5.63 C ATOM 920 O ASP A 212 7.397 -5.994 10.238 1.00 5.44 O ATOM 921 CB ASP A 212 10.518 -6.505 10.721 1.00 6.44 C ATOM 922 CG ASP A 212 11.807 -6.443 11.513 1.00 7.03 C ATOM 923 OD1 ASP A 212 11.965 -5.521 12.342 1.00 7.38 O ATOM 924 OD2 ASP A 212 12.680 -7.318 11.295 1.00 7.34 O1- ATOM 0 H ASP A 212 10.164 -8.372 12.371 1.00 6.37 H new ATOM 0 HA ASP A 212 9.108 -5.717 12.141 1.00 6.18 H new ATOM 0 HB2 ASP A 212 10.567 -7.348 10.031 1.00 6.44 H new ATOM 0 HB3 ASP A 212 10.431 -5.603 10.116 1.00 6.44 H new ATOM 929 N MET A 213 7.821 -8.197 10.434 1.00 5.47 N ATOM 930 CA MET A 213 6.720 -8.635 9.576 1.00 5.06 C ATOM 931 C MET A 213 5.386 -8.008 9.973 1.00 4.94 C ATOM 932 O MET A 213 4.718 -7.372 9.157 1.00 4.64 O ATOM 933 CB MET A 213 6.600 -10.155 9.631 1.00 5.15 C ATOM 934 CG MET A 213 6.975 -10.840 8.333 1.00 5.33 C ATOM 935 SD MET A 213 5.858 -10.413 6.982 1.00 5.56 S ATOM 936 CE MET A 213 6.661 -11.240 5.612 1.00 5.57 C ATOM 0 H MET A 213 8.375 -8.963 10.818 1.00 5.47 H new ATOM 0 HA MET A 213 6.950 -8.306 8.562 1.00 5.06 H new ATOM 0 HB2 MET A 213 7.239 -10.533 10.429 1.00 5.15 H new ATOM 0 HB3 MET A 213 5.575 -10.421 9.890 1.00 5.15 H new ATOM 0 HG2 MET A 213 7.993 -10.563 8.060 1.00 5.33 H new ATOM 0 HG3 MET A 213 6.967 -11.920 8.480 1.00 5.33 H new ATOM 0 HE1 MET A 213 6.185 -10.942 4.678 1.00 5.57 H new ATOM 0 HE2 MET A 213 7.715 -10.963 5.587 1.00 5.57 H new ATOM 0 HE3 MET A 213 6.573 -12.319 5.736 1.00 5.57 H new ATOM 946 N GLU A 214 5.011 -8.177 11.230 1.00 5.29 N ATOM 947 CA GLU A 214 3.748 -7.652 11.735 1.00 5.44 C ATOM 948 C GLU A 214 3.752 -6.125 11.796 1.00 5.41 C ATOM 949 O GLU A 214 2.717 -5.488 11.604 1.00 5.42 O ATOM 950 CB GLU A 214 3.454 -8.236 13.116 1.00 6.00 C ATOM 951 CG GLU A 214 3.120 -9.719 13.081 1.00 6.18 C ATOM 952 CD GLU A 214 1.822 -10.005 12.353 1.00 6.23 C ATOM 953 OE1 GLU A 214 0.770 -9.461 12.760 1.00 6.43 O ATOM 954 OE2 GLU A 214 1.839 -10.778 11.373 1.00 6.40 O1- ATOM 0 H GLU A 214 5.565 -8.677 11.925 1.00 5.29 H new ATOM 0 HA GLU A 214 2.962 -7.950 11.041 1.00 5.44 H new ATOM 0 HB2 GLU A 214 4.319 -8.080 13.761 1.00 6.00 H new ATOM 0 HB3 GLU A 214 2.621 -7.693 13.563 1.00 6.00 H new ATOM 0 HG2 GLU A 214 3.932 -10.260 12.595 1.00 6.18 H new ATOM 0 HG3 GLU A 214 3.051 -10.097 14.101 1.00 6.18 H new ATOM 961 N ALA A 215 4.923 -5.546 12.036 1.00 5.51 N ATOM 962 CA ALA A 215 5.052 -4.097 12.133 1.00 5.66 C ATOM 963 C ALA A 215 4.904 -3.428 10.769 1.00 5.27 C ATOM 964 O ALA A 215 4.336 -2.339 10.660 1.00 5.33 O ATOM 965 CB ALA A 215 6.385 -3.723 12.763 1.00 6.08 C ATOM 0 H ALA A 215 5.796 -6.057 12.167 1.00 5.51 H new ATOM 0 HA ALA A 215 4.245 -3.735 12.771 1.00 5.66 H new ATOM 0 HB1 ALA A 215 6.465 -2.638 12.828 1.00 6.08 H new ATOM 0 HB2 ALA A 215 6.448 -4.152 13.763 1.00 6.08 H new ATOM 0 HB3 ALA A 215 7.199 -4.111 12.150 1.00 6.08 H new ATOM 971 N ALA A 216 5.392 -4.094 9.727 1.00 4.95 N ATOM 972 CA ALA A 216 5.328 -3.558 8.375 1.00 4.66 C ATOM 973 C ALA A 216 3.894 -3.538 7.870 1.00 4.31 C ATOM 974 O ALA A 216 3.534 -2.728 7.012 1.00 4.17 O ATOM 975 CB ALA A 216 6.211 -4.374 7.440 1.00 4.61 C ATOM 0 H ALA A 216 5.837 -5.009 9.795 1.00 4.95 H new ATOM 0 HA ALA A 216 5.696 -2.532 8.395 1.00 4.66 H new ATOM 0 HB1 ALA A 216 6.153 -3.962 6.433 1.00 4.61 H new ATOM 0 HB2 ALA A 216 7.243 -4.336 7.789 1.00 4.61 H new ATOM 0 HB3 ALA A 216 5.870 -5.409 7.428 1.00 4.61 H new ATOM 981 N LYS A 217 3.072 -4.425 8.422 1.00 4.31 N ATOM 982 CA LYS A 217 1.676 -4.513 8.034 1.00 4.20 C ATOM 983 C LYS A 217 0.938 -3.225 8.387 1.00 4.42 C ATOM 984 O LYS A 217 0.087 -2.761 7.629 1.00 4.34 O ATOM 985 CB LYS A 217 1.006 -5.719 8.696 1.00 4.47 C ATOM 986 CG LYS A 217 1.495 -7.050 8.147 1.00 4.63 C ATOM 987 CD LYS A 217 0.822 -8.227 8.836 1.00 5.07 C ATOM 988 CE LYS A 217 1.291 -9.549 8.254 1.00 5.46 C ATOM 989 NZ LYS A 217 0.748 -10.714 9.000 1.00 5.88 N1+ ATOM 0 H LYS A 217 3.353 -5.092 9.140 1.00 4.31 H new ATOM 0 HA LYS A 217 1.629 -4.648 6.953 1.00 4.20 H new ATOM 0 HB2 LYS A 217 1.191 -5.686 9.770 1.00 4.47 H new ATOM 0 HB3 LYS A 217 -0.073 -5.650 8.556 1.00 4.47 H new ATOM 0 HG2 LYS A 217 1.299 -7.095 7.076 1.00 4.63 H new ATOM 0 HG3 LYS A 217 2.575 -7.122 8.277 1.00 4.63 H new ATOM 0 HD2 LYS A 217 1.040 -8.199 9.904 1.00 5.07 H new ATOM 0 HD3 LYS A 217 -0.260 -8.144 8.729 1.00 5.07 H new ATOM 0 HE2 LYS A 217 0.985 -9.613 7.210 1.00 5.46 H new ATOM 0 HE3 LYS A 217 2.380 -9.585 8.270 1.00 5.46 H new ATOM 0 HZ1 LYS A 217 1.246 -11.578 8.705 1.00 5.88 H new ATOM 0 HZ2 LYS A 217 0.885 -10.567 10.020 1.00 5.88 H new ATOM 0 HZ3 LYS A 217 -0.267 -10.813 8.798 1.00 5.88 H new ATOM 1003 N GLU A 218 1.286 -2.643 9.533 1.00 0.00 N ATOM 1004 CA GLU A 218 0.674 -1.389 9.962 1.00 0.00 C ATOM 1005 C GLU A 218 1.103 -0.246 9.074 1.00 0.00 C ATOM 1006 O GLU A 218 0.287 0.551 8.619 1.00 0.00 O ATOM 1007 CB GLU A 218 1.053 -1.099 11.443 1.00 0.00 C ATOM 1008 CG GLU A 218 0.495 -2.111 12.496 1.00 0.00 C ATOM 1009 CD GLU A 218 0.794 -1.863 13.963 1.00 0.00 C ATOM 1010 OE1 GLU A 218 1.966 -1.723 14.363 1.00 0.00 O ATOM 1011 OE2 GLU A 218 -0.190 -1.794 14.728 1.00 0.00 O1- ATOM 0 H GLU A 218 1.983 -3.017 10.176 1.00 0.00 H new ATOM 0 HA GLU A 218 -0.409 -1.486 9.882 1.00 0.00 H new ATOM 0 HB2 GLU A 218 2.140 -1.081 11.524 1.00 0.00 H new ATOM 0 HB3 GLU A 218 0.698 -0.101 11.701 1.00 0.00 H new ATOM 0 HG2 GLU A 218 -0.588 -2.148 12.379 1.00 0.00 H new ATOM 0 HG3 GLU A 218 0.877 -3.100 12.242 1.00 0.00 H new ATOM 1018 N VAL A 219 2.410 -0.182 8.831 1.00 4.99 N ATOM 1019 CA VAL A 219 3.000 0.855 7.996 1.00 5.07 C ATOM 1020 C VAL A 219 2.346 0.880 6.616 1.00 4.71 C ATOM 1021 O VAL A 219 1.995 1.941 6.096 1.00 4.89 O ATOM 1022 CB VAL A 219 4.520 0.632 7.843 1.00 5.20 C ATOM 1023 CG1 VAL A 219 5.140 1.695 6.953 1.00 5.47 C ATOM 1024 CG2 VAL A 219 5.198 0.617 9.207 1.00 5.63 C ATOM 0 H VAL A 219 3.086 -0.847 9.207 1.00 4.99 H new ATOM 0 HA VAL A 219 2.828 1.813 8.486 1.00 5.07 H new ATOM 0 HB VAL A 219 4.672 -0.337 7.368 1.00 5.20 H new ATOM 0 HG11 VAL A 219 6.211 1.514 6.862 1.00 5.47 H new ATOM 0 HG12 VAL A 219 4.680 1.656 5.965 1.00 5.47 H new ATOM 0 HG13 VAL A 219 4.974 2.679 7.392 1.00 5.47 H new ATOM 0 HG21 VAL A 219 6.269 0.459 9.079 1.00 5.63 H new ATOM 0 HG22 VAL A 219 5.029 1.570 9.708 1.00 5.63 H new ATOM 0 HG23 VAL A 219 4.782 -0.189 9.811 1.00 5.63 H new ATOM 1034 N TYR A 220 2.163 -0.303 6.056 1.00 4.28 N ATOM 1035 CA TYR A 220 1.556 -0.468 4.741 1.00 4.00 C ATOM 1036 C TYR A 220 0.169 0.165 4.672 1.00 4.14 C ATOM 1037 O TYR A 220 -0.166 0.849 3.703 1.00 4.18 O ATOM 1038 CB TYR A 220 1.475 -1.959 4.428 1.00 3.69 C ATOM 1039 CG TYR A 220 0.842 -2.298 3.094 1.00 3.55 C ATOM 1040 CD1 TYR A 220 1.525 -2.088 1.901 1.00 3.97 C ATOM 1041 CD2 TYR A 220 -0.431 -2.849 3.032 1.00 3.52 C ATOM 1042 CE1 TYR A 220 0.951 -2.414 0.685 1.00 4.12 C ATOM 1043 CE2 TYR A 220 -1.010 -3.182 1.821 1.00 3.66 C ATOM 1044 CZ TYR A 220 -0.315 -2.962 0.652 1.00 3.85 C ATOM 1045 OH TYR A 220 -0.890 -3.301 -0.551 1.00 4.23 O ATOM 0 H TYR A 220 2.431 -1.181 6.500 1.00 4.28 H new ATOM 0 HA TYR A 220 2.174 0.041 4.002 1.00 4.00 H new ATOM 0 HB2 TYR A 220 2.482 -2.376 4.452 1.00 3.69 H new ATOM 0 HB3 TYR A 220 0.908 -2.451 5.218 1.00 3.69 H new ATOM 0 HD1 TYR A 220 2.518 -1.664 1.924 1.00 3.97 H new ATOM 0 HD2 TYR A 220 -0.979 -3.021 3.947 1.00 3.52 H new ATOM 0 HE1 TYR A 220 1.491 -2.240 -0.234 1.00 4.12 H new ATOM 0 HE2 TYR A 220 -2.000 -3.612 1.792 1.00 3.66 H new ATOM 0 HH TYR A 220 -1.782 -3.675 -0.393 1.00 4.23 H new ATOM 1055 N LYS A 221 -0.629 -0.048 5.710 1.00 4.37 N ATOM 1056 CA LYS A 221 -1.986 0.483 5.755 1.00 4.73 C ATOM 1057 C LYS A 221 -1.986 2.002 5.899 1.00 5.09 C ATOM 1058 O LYS A 221 -2.801 2.691 5.284 1.00 5.27 O ATOM 1059 CB LYS A 221 -2.767 -0.159 6.897 1.00 5.11 C ATOM 1060 CG LYS A 221 -2.906 -1.665 6.743 1.00 5.12 C ATOM 1061 CD LYS A 221 -3.822 -2.256 7.797 1.00 5.57 C ATOM 1062 CE LYS A 221 -3.984 -3.758 7.615 1.00 5.79 C ATOM 1063 NZ LYS A 221 -4.928 -4.339 8.604 1.00 6.17 N1+ ATOM 0 H LYS A 221 -0.360 -0.586 6.534 1.00 4.37 H new ATOM 0 HA LYS A 221 -2.473 0.238 4.811 1.00 4.73 H new ATOM 0 HB2 LYS A 221 -2.268 0.060 7.841 1.00 5.11 H new ATOM 0 HB3 LYS A 221 -3.759 0.289 6.949 1.00 5.11 H new ATOM 0 HG2 LYS A 221 -3.297 -1.895 5.752 1.00 5.12 H new ATOM 0 HG3 LYS A 221 -1.923 -2.130 6.814 1.00 5.12 H new ATOM 0 HD2 LYS A 221 -3.419 -2.050 8.788 1.00 5.57 H new ATOM 0 HD3 LYS A 221 -4.798 -1.774 7.744 1.00 5.57 H new ATOM 0 HE2 LYS A 221 -4.343 -3.965 6.607 1.00 5.79 H new ATOM 0 HE3 LYS A 221 -3.012 -4.242 7.713 1.00 5.79 H new ATOM 0 HZ1 LYS A 221 -5.010 -5.364 8.445 1.00 6.17 H new ATOM 0 HZ2 LYS A 221 -4.574 -4.165 9.566 1.00 6.17 H new ATOM 0 HZ3 LYS A 221 -5.862 -3.896 8.494 1.00 6.17 H new ATOM 1077 N ILE A 222 -1.072 2.520 6.708 1.00 5.30 N ATOM 1078 CA ILE A 222 -0.971 3.960 6.926 1.00 5.78 C ATOM 1079 C ILE A 222 -0.451 4.658 5.669 1.00 5.68 C ATOM 1080 O ILE A 222 -0.913 5.747 5.308 1.00 6.01 O ATOM 1081 CB ILE A 222 -0.057 4.267 8.132 1.00 6.15 C ATOM 1082 CG1 ILE A 222 -0.647 3.638 9.397 1.00 6.30 C ATOM 1083 CG2 ILE A 222 0.121 5.771 8.315 1.00 6.74 C ATOM 1084 CD1 ILE A 222 0.393 3.211 10.411 1.00 6.53 C ATOM 0 H ILE A 222 -0.389 1.966 7.225 1.00 5.30 H new ATOM 0 HA ILE A 222 -1.968 4.342 7.146 1.00 5.78 H new ATOM 0 HB ILE A 222 0.927 3.837 7.943 1.00 6.15 H new ATOM 0 HG12 ILE A 222 -1.324 4.353 9.865 1.00 6.30 H new ATOM 0 HG13 ILE A 222 -1.244 2.770 9.115 1.00 6.30 H new ATOM 0 HG21 ILE A 222 0.769 5.959 9.171 1.00 6.74 H new ATOM 0 HG22 ILE A 222 0.572 6.196 7.418 1.00 6.74 H new ATOM 0 HG23 ILE A 222 -0.851 6.234 8.487 1.00 6.74 H new ATOM 0 HD11 ILE A 222 -0.102 2.775 11.279 1.00 6.53 H new ATOM 0 HD12 ILE A 222 1.057 2.472 9.962 1.00 6.53 H new ATOM 0 HD13 ILE A 222 0.975 4.078 10.723 1.00 6.53 H new ATOM 1096 N HIS A 223 0.492 4.010 4.990 1.00 5.31 N ATOM 1097 CA HIS A 223 1.074 4.544 3.762 1.00 5.36 C ATOM 1098 C HIS A 223 0.019 4.621 2.664 1.00 5.26 C ATOM 1099 O HIS A 223 0.028 5.533 1.836 1.00 5.59 O ATOM 1100 CB HIS A 223 2.240 3.656 3.313 1.00 5.11 C ATOM 1101 CG HIS A 223 3.095 4.254 2.240 1.00 5.45 C ATOM 1102 ND1 HIS A 223 3.885 3.466 1.442 1.00 5.42 N ATOM 1103 CD2 HIS A 223 3.259 5.550 1.885 1.00 5.95 C ATOM 1104 CE1 HIS A 223 4.514 4.293 0.627 1.00 5.92 C ATOM 1105 NE2 HIS A 223 4.166 5.566 0.857 1.00 6.23 N ATOM 0 H HIS A 223 0.872 3.107 5.273 1.00 5.31 H new ATOM 0 HA HIS A 223 1.445 5.550 3.956 1.00 5.36 H new ATOM 0 HB2 HIS A 223 2.866 3.434 4.178 1.00 5.11 H new ATOM 0 HB3 HIS A 223 1.841 2.707 2.956 1.00 5.11 H new ATOM 0 HD2 HIS A 223 2.770 6.406 2.326 1.00 5.95 H new ATOM 0 HE1 HIS A 223 5.220 3.982 -0.129 1.00 5.92 H new ATOM 0 HE2 HIS A 223 4.510 6.389 0.362 1.00 6.23 H new ATOM 1113 N GLN A 224 -0.894 3.658 2.679 1.00 4.91 N ATOM 1114 CA GLN A 224 -1.977 3.593 1.705 1.00 4.90 C ATOM 1115 C GLN A 224 -2.823 4.862 1.751 1.00 5.38 C ATOM 1116 O GLN A 224 -3.338 5.314 0.728 1.00 5.57 O ATOM 1117 CB GLN A 224 -2.840 2.355 1.989 1.00 4.63 C ATOM 1118 CG GLN A 224 -4.089 2.233 1.129 1.00 4.79 C ATOM 1119 CD GLN A 224 -5.346 2.678 1.859 1.00 4.97 C ATOM 1120 OE1 GLN A 224 -5.928 1.922 2.635 1.00 5.09 O ATOM 1121 NE2 GLN A 224 -5.772 3.905 1.608 1.00 5.38 N ATOM 0 H GLN A 224 -0.905 2.902 3.364 1.00 4.91 H new ATOM 0 HA GLN A 224 -1.553 3.514 0.704 1.00 4.90 H new ATOM 0 HB2 GLN A 224 -2.229 1.464 1.845 1.00 4.63 H new ATOM 0 HB3 GLN A 224 -3.139 2.371 3.037 1.00 4.63 H new ATOM 0 HG2 GLN A 224 -3.965 2.833 0.227 1.00 4.79 H new ATOM 0 HG3 GLN A 224 -4.206 1.198 0.809 1.00 4.79 H new ATOM 0 HE21 GLN A 224 -5.259 4.500 0.957 1.00 5.38 H new ATOM 0 HE22 GLN A 224 -6.613 4.256 2.065 1.00 5.38 H new ATOM 1130 N GLN A 225 -2.947 5.442 2.935 1.00 5.66 N ATOM 1131 CA GLN A 225 -3.733 6.653 3.112 1.00 6.22 C ATOM 1132 C GLN A 225 -2.965 7.869 2.601 1.00 6.53 C ATOM 1133 O GLN A 225 -3.549 8.799 2.047 1.00 6.88 O ATOM 1134 CB GLN A 225 -4.096 6.823 4.586 1.00 6.56 C ATOM 1135 CG GLN A 225 -5.078 7.953 4.853 1.00 6.94 C ATOM 1136 CD GLN A 225 -5.745 7.838 6.210 1.00 7.36 C ATOM 1137 OE1 GLN A 225 -5.169 7.302 7.155 1.00 7.76 O ATOM 1138 NE2 GLN A 225 -6.965 8.337 6.314 1.00 7.56 N ATOM 0 H GLN A 225 -2.512 5.093 3.789 1.00 5.66 H new ATOM 0 HA GLN A 225 -4.652 6.567 2.532 1.00 6.22 H new ATOM 0 HB2 GLN A 225 -4.522 5.890 4.955 1.00 6.56 H new ATOM 0 HB3 GLN A 225 -3.185 7.005 5.156 1.00 6.56 H new ATOM 0 HG2 GLN A 225 -4.554 8.907 4.789 1.00 6.94 H new ATOM 0 HG3 GLN A 225 -5.842 7.956 4.076 1.00 6.94 H new ATOM 0 HE21 GLN A 225 -7.408 8.774 5.506 1.00 7.56 H new ATOM 0 HE22 GLN A 225 -7.463 8.285 7.203 1.00 7.56 H new ATOM 1147 N LEU A 226 -1.650 7.844 2.768 1.00 6.49 N ATOM 1148 CA LEU A 226 -0.799 8.940 2.325 1.00 6.92 C ATOM 1149 C LEU A 226 -0.802 9.043 0.803 1.00 6.85 C ATOM 1150 O LEU A 226 -0.876 10.139 0.243 1.00 7.28 O ATOM 1151 CB LEU A 226 0.634 8.737 2.821 1.00 7.02 C ATOM 1152 CG LEU A 226 1.634 9.801 2.362 1.00 7.62 C ATOM 1153 CD1 LEU A 226 1.676 10.957 3.349 1.00 7.93 C ATOM 1154 CD2 LEU A 226 3.017 9.194 2.183 1.00 8.09 C ATOM 0 H LEU A 226 -1.148 7.074 3.209 1.00 6.49 H new ATOM 0 HA LEU A 226 -1.196 9.865 2.743 1.00 6.92 H new ATOM 0 HB2 LEU A 226 0.625 8.714 3.911 1.00 7.02 H new ATOM 0 HB3 LEU A 226 0.984 7.761 2.484 1.00 7.02 H new ATOM 0 HG LEU A 226 1.305 10.188 1.398 1.00 7.62 H new ATOM 0 HD11 LEU A 226 2.393 11.703 3.005 1.00 7.93 H new ATOM 0 HD12 LEU A 226 0.687 11.410 3.421 1.00 7.93 H new ATOM 0 HD13 LEU A 226 1.978 10.588 4.329 1.00 7.93 H new ATOM 0 HD21 LEU A 226 3.714 9.966 1.856 1.00 8.09 H new ATOM 0 HD22 LEU A 226 3.356 8.776 3.131 1.00 8.09 H new ATOM 0 HD23 LEU A 226 2.973 8.404 1.433 1.00 8.09 H new ATOM 1166 N LEU A 227 -0.734 7.890 0.142 1.00 6.38 N ATOM 1167 CA LEU A 227 -0.723 7.840 -1.315 1.00 6.38 C ATOM 1168 C LEU A 227 -2.012 8.411 -1.892 1.00 6.51 C ATOM 1169 O LEU A 227 -2.011 9.001 -2.973 1.00 6.81 O ATOM 1170 CB LEU A 227 -0.519 6.407 -1.807 1.00 5.94 C ATOM 1171 CG LEU A 227 0.837 5.783 -1.464 1.00 5.92 C ATOM 1172 CD1 LEU A 227 0.949 4.394 -2.066 1.00 5.56 C ATOM 1173 CD2 LEU A 227 1.975 6.671 -1.954 1.00 6.51 C ATOM 0 H LEU A 227 -0.686 6.977 0.594 1.00 6.38 H new ATOM 0 HA LEU A 227 0.111 8.451 -1.661 1.00 6.38 H new ATOM 0 HB2 LEU A 227 -1.305 5.781 -1.386 1.00 5.94 H new ATOM 0 HB3 LEU A 227 -0.644 6.391 -2.890 1.00 5.94 H new ATOM 0 HG LEU A 227 0.912 5.697 -0.380 1.00 5.92 H new ATOM 0 HD11 LEU A 227 1.918 3.965 -1.813 1.00 5.56 H new ATOM 0 HD12 LEU A 227 0.156 3.760 -1.668 1.00 5.56 H new ATOM 0 HD13 LEU A 227 0.853 4.458 -3.150 1.00 5.56 H new ATOM 0 HD21 LEU A 227 2.930 6.211 -1.701 1.00 6.51 H new ATOM 0 HD22 LEU A 227 1.904 6.790 -3.035 1.00 6.51 H new ATOM 0 HD23 LEU A 227 1.905 7.648 -1.477 1.00 6.51 H new ATOM 1185 N PHE A 228 -3.108 8.245 -1.160 1.00 6.38 N ATOM 1186 CA PHE A 228 -4.399 8.753 -1.597 1.00 6.62 C ATOM 1187 C PHE A 228 -4.368 10.276 -1.680 1.00 7.17 C ATOM 1188 O PHE A 228 -4.871 10.868 -2.635 1.00 7.44 O ATOM 1189 CB PHE A 228 -5.500 8.297 -0.634 1.00 6.57 C ATOM 1190 CG PHE A 228 -6.888 8.614 -1.101 1.00 6.89 C ATOM 1191 CD1 PHE A 228 -7.472 7.886 -2.120 1.00 7.26 C ATOM 1192 CD2 PHE A 228 -7.608 9.636 -0.510 1.00 7.04 C ATOM 1193 CE1 PHE A 228 -8.750 8.174 -2.547 1.00 7.64 C ATOM 1194 CE2 PHE A 228 -8.888 9.928 -0.930 1.00 7.43 C ATOM 1195 CZ PHE A 228 -9.461 9.197 -1.952 1.00 7.67 C ATOM 0 H PHE A 228 -3.126 7.762 -0.262 1.00 6.38 H new ATOM 0 HA PHE A 228 -4.614 8.355 -2.589 1.00 6.62 H new ATOM 0 HB2 PHE A 228 -5.415 7.221 -0.485 1.00 6.57 H new ATOM 0 HB3 PHE A 228 -5.338 8.767 0.336 1.00 6.57 H new ATOM 0 HD1 PHE A 228 -6.921 7.083 -2.587 1.00 7.26 H new ATOM 0 HD2 PHE A 228 -7.163 10.211 0.289 1.00 7.04 H new ATOM 0 HE1 PHE A 228 -9.195 7.600 -3.346 1.00 7.64 H new ATOM 0 HE2 PHE A 228 -9.442 10.727 -0.460 1.00 7.43 H new ATOM 0 HZ PHE A 228 -10.463 9.425 -2.285 1.00 7.67 H new ATOM 1205 N LYS A 229 -3.745 10.899 -0.689 1.00 7.38 N ATOM 1206 CA LYS A 229 -3.647 12.353 -0.639 1.00 7.96 C ATOM 1207 C LYS A 229 -2.726 12.870 -1.741 1.00 8.17 C ATOM 1208 O LYS A 229 -2.946 13.947 -2.296 1.00 8.60 O ATOM 1209 CB LYS A 229 -3.115 12.808 0.719 1.00 8.19 C ATOM 1210 CG LYS A 229 -3.744 12.093 1.903 1.00 8.20 C ATOM 1211 CD LYS A 229 -3.166 12.588 3.214 1.00 8.62 C ATOM 1212 CE LYS A 229 -3.561 11.694 4.374 1.00 8.81 C ATOM 1213 NZ LYS A 229 -3.230 12.317 5.678 1.00 9.36 N1+ ATOM 0 H LYS A 229 -3.299 10.420 0.093 1.00 7.38 H new ATOM 0 HA LYS A 229 -4.647 12.761 -0.789 1.00 7.96 H new ATOM 0 HB2 LYS A 229 -2.037 12.652 0.745 1.00 8.19 H new ATOM 0 HB3 LYS A 229 -3.285 13.880 0.823 1.00 8.19 H new ATOM 0 HG2 LYS A 229 -4.822 12.251 1.895 1.00 8.20 H new ATOM 0 HG3 LYS A 229 -3.579 11.019 1.812 1.00 8.20 H new ATOM 0 HD2 LYS A 229 -2.079 12.629 3.140 1.00 8.62 H new ATOM 0 HD3 LYS A 229 -3.512 13.604 3.404 1.00 8.62 H new ATOM 0 HE2 LYS A 229 -4.631 11.489 4.329 1.00 8.81 H new ATOM 0 HE3 LYS A 229 -3.049 10.736 4.287 1.00 8.81 H new ATOM 0 HZ1 LYS A 229 -3.513 11.679 6.449 1.00 9.36 H new ATOM 0 HZ2 LYS A 229 -2.206 12.490 5.730 1.00 9.36 H new ATOM 0 HZ3 LYS A 229 -3.739 13.219 5.771 1.00 9.36 H new ATOM 1227 N ALA A 230 -1.693 12.093 -2.050 1.00 7.94 N ATOM 1228 CA ALA A 230 -0.732 12.465 -3.082 1.00 8.24 C ATOM 1229 C ALA A 230 -1.391 12.506 -4.454 1.00 8.26 C ATOM 1230 O ALA A 230 -0.998 13.286 -5.323 1.00 8.69 O ATOM 1231 CB ALA A 230 0.441 11.494 -3.082 1.00 8.09 C ATOM 0 H ALA A 230 -1.500 11.199 -1.599 1.00 7.94 H new ATOM 0 HA ALA A 230 -0.361 13.465 -2.859 1.00 8.24 H new ATOM 0 HB1 ALA A 230 1.152 11.782 -3.857 1.00 8.09 H new ATOM 0 HB2 ALA A 230 0.934 11.519 -2.110 1.00 8.09 H new ATOM 0 HB3 ALA A 230 0.078 10.485 -3.279 1.00 8.09 H new ATOM 1237 N ARG A 231 -2.401 11.664 -4.642 1.00 7.86 N ATOM 1238 CA ARG A 231 -3.120 11.608 -5.909 1.00 7.92 C ATOM 1239 C ARG A 231 -4.158 12.723 -5.990 1.00 8.29 C ATOM 1240 O ARG A 231 -4.586 13.104 -7.082 1.00 8.56 O ATOM 1241 CB ARG A 231 -3.803 10.248 -6.085 1.00 7.47 C ATOM 1242 CG ARG A 231 -2.833 9.093 -6.251 1.00 7.27 C ATOM 1243 CD ARG A 231 -3.550 7.808 -6.645 1.00 7.20 C ATOM 1244 NE ARG A 231 -4.120 7.888 -7.994 1.00 7.43 N ATOM 1245 CZ ARG A 231 -4.659 6.851 -8.643 1.00 7.64 C ATOM 1246 NH1 ARG A 231 -4.719 5.654 -8.064 1.00 7.67 N1+ ATOM 1247 NH2 ARG A 231 -5.128 7.009 -9.875 1.00 8.09 N ATOM 0 H ARG A 231 -2.740 11.012 -3.935 1.00 7.86 H new ATOM 0 HA ARG A 231 -2.395 11.744 -6.712 1.00 7.92 H new ATOM 0 HB2 ARG A 231 -4.438 10.056 -5.220 1.00 7.47 H new ATOM 0 HB3 ARG A 231 -4.456 10.290 -6.957 1.00 7.47 H new ATOM 0 HG2 ARG A 231 -2.094 9.345 -7.011 1.00 7.27 H new ATOM 0 HG3 ARG A 231 -2.291 8.936 -5.319 1.00 7.27 H new ATOM 0 HD2 ARG A 231 -2.851 6.973 -6.596 1.00 7.20 H new ATOM 0 HD3 ARG A 231 -4.344 7.601 -5.928 1.00 7.20 H new ATOM 0 HE ARG A 231 -4.104 8.792 -8.467 1.00 7.43 H new ATOM 0 HH11 ARG A 231 -4.353 5.525 -7.121 1.00 7.67 H new ATOM 0 HH12 ARG A 231 -5.131 4.866 -8.563 1.00 7.67 H new ATOM 0 HH21 ARG A 231 -5.077 7.922 -10.327 1.00 8.09 H new ATOM 0 HH22 ARG A 231 -5.539 6.217 -10.370 1.00 8.09 H new ATOM 1261 N LEU A 232 -4.561 13.241 -4.836 1.00 8.38 N ATOM 1262 CA LEU A 232 -5.554 14.306 -4.780 1.00 8.81 C ATOM 1263 C LEU A 232 -4.955 15.644 -5.198 1.00 9.30 C ATOM 1264 O LEU A 232 -5.592 16.409 -5.923 1.00 9.67 O ATOM 1265 CB LEU A 232 -6.151 14.415 -3.375 1.00 8.85 C ATOM 1266 CG LEU A 232 -6.920 13.181 -2.896 1.00 8.92 C ATOM 1267 CD1 LEU A 232 -7.415 13.384 -1.474 1.00 8.90 C ATOM 1268 CD2 LEU A 232 -8.082 12.874 -3.830 1.00 9.12 C ATOM 0 H LEU A 232 -4.215 12.940 -3.925 1.00 8.38 H new ATOM 0 HA LEU A 232 -6.348 14.053 -5.482 1.00 8.81 H new ATOM 0 HB2 LEU A 232 -5.345 14.617 -2.670 1.00 8.85 H new ATOM 0 HB3 LEU A 232 -6.821 15.274 -3.348 1.00 8.85 H new ATOM 0 HG LEU A 232 -6.242 12.328 -2.907 1.00 8.92 H new ATOM 0 HD11 LEU A 232 -7.960 12.498 -1.148 1.00 8.90 H new ATOM 0 HD12 LEU A 232 -6.564 13.550 -0.813 1.00 8.90 H new ATOM 0 HD13 LEU A 232 -8.076 14.250 -1.439 1.00 8.90 H new ATOM 0 HD21 LEU A 232 -8.615 11.993 -3.471 1.00 9.12 H new ATOM 0 HD22 LEU A 232 -8.763 13.725 -3.855 1.00 9.12 H new ATOM 0 HD23 LEU A 232 -7.702 12.684 -4.834 1.00 9.12 H new ATOM 1280 N GLN A 233 -3.732 15.907 -4.740 1.00 9.34 N ATOM 1281 CA GLN A 233 -3.016 17.152 -5.049 1.00 9.87 C ATOM 1282 C GLN A 233 -3.723 18.354 -4.432 1.00 9.87 C ATOM 1283 O GLN A 233 -4.629 18.939 -5.028 1.00 9.75 O ATOM 1284 CB GLN A 233 -2.866 17.343 -6.559 1.00 10.25 C ATOM 1285 CG GLN A 233 -1.902 16.369 -7.206 1.00 10.67 C ATOM 1286 CD GLN A 233 -1.756 16.606 -8.693 1.00 11.24 C ATOM 1287 OE1 GLN A 233 -2.442 15.985 -9.504 1.00 11.55 O ATOM 1288 NE2 GLN A 233 -0.874 17.521 -9.063 1.00 11.55 N ATOM 0 H GLN A 233 -3.207 15.266 -4.145 1.00 9.34 H new ATOM 0 HA GLN A 233 -2.020 17.075 -4.614 1.00 9.87 H new ATOM 0 HB2 GLN A 233 -3.844 17.237 -7.028 1.00 10.25 H new ATOM 0 HB3 GLN A 233 -2.527 18.360 -6.755 1.00 10.25 H new ATOM 0 HG2 GLN A 233 -0.926 16.457 -6.729 1.00 10.67 H new ATOM 0 HG3 GLN A 233 -2.250 15.350 -7.035 1.00 10.67 H new ATOM 0 HE21 GLN A 233 -0.325 18.014 -8.359 1.00 11.55 H new ATOM 0 HE22 GLN A 233 -0.744 17.733 -10.052 1.00 11.55 H new ATOM 1297 N GLN A 234 -3.296 18.722 -3.232 1.00 10.20 N ATOM 1298 CA GLN A 234 -3.888 19.845 -2.515 1.00 10.43 C ATOM 1299 C GLN A 234 -3.229 21.168 -2.902 1.00 10.93 C ATOM 1300 O GLN A 234 -3.592 22.226 -2.383 1.00 11.18 O ATOM 1301 CB GLN A 234 -3.764 19.628 -1.007 1.00 10.71 C ATOM 1302 CG GLN A 234 -4.585 18.457 -0.488 1.00 10.40 C ATOM 1303 CD GLN A 234 -6.078 18.675 -0.647 1.00 10.40 C ATOM 1304 OE1 GLN A 234 -6.673 18.290 -1.657 1.00 10.46 O ATOM 1305 NE2 GLN A 234 -6.694 19.303 0.344 1.00 10.55 N ATOM 0 H GLN A 234 -2.538 18.257 -2.732 1.00 10.20 H new ATOM 0 HA GLN A 234 -4.941 19.898 -2.792 1.00 10.43 H new ATOM 0 HB2 GLN A 234 -2.716 19.464 -0.757 1.00 10.71 H new ATOM 0 HB3 GLN A 234 -4.076 20.536 -0.491 1.00 10.71 H new ATOM 0 HG2 GLN A 234 -4.295 17.551 -1.020 1.00 10.40 H new ATOM 0 HG3 GLN A 234 -4.355 18.296 0.565 1.00 10.40 H new ATOM 0 HE21 GLN A 234 -6.166 19.605 1.163 1.00 10.55 H new ATOM 0 HE22 GLN A 234 -7.696 19.484 0.288 1.00 10.55 H new ATOM 1314 N GLN A 235 -2.257 21.110 -3.802 1.00 11.20 N ATOM 1315 CA GLN A 235 -1.559 22.307 -4.254 1.00 11.76 C ATOM 1316 C GLN A 235 -1.511 22.348 -5.775 1.00 11.96 C ATOM 1317 O GLN A 235 -0.494 22.027 -6.386 1.00 12.27 O ATOM 1318 CB GLN A 235 -0.141 22.365 -3.677 1.00 12.22 C ATOM 1319 CG GLN A 235 -0.099 22.687 -2.192 1.00 12.26 C ATOM 1320 CD GLN A 235 -0.534 24.108 -1.890 1.00 12.74 C ATOM 1321 OE1 GLN A 235 0.285 25.024 -1.826 1.00 13.00 O ATOM 1322 NE2 GLN A 235 -1.829 24.305 -1.701 1.00 13.02 N ATOM 0 H GLN A 235 -1.933 20.245 -4.235 1.00 11.20 H new ATOM 0 HA GLN A 235 -2.109 23.177 -3.895 1.00 11.76 H new ATOM 0 HB2 GLN A 235 0.350 21.407 -3.846 1.00 12.22 H new ATOM 0 HB3 GLN A 235 0.432 23.117 -4.219 1.00 12.22 H new ATOM 0 HG2 GLN A 235 -0.744 21.992 -1.655 1.00 12.26 H new ATOM 0 HG3 GLN A 235 0.914 22.534 -1.820 1.00 12.26 H new ATOM 0 HE21 GLN A 235 -2.478 23.521 -1.762 1.00 13.02 H new ATOM 0 HE22 GLN A 235 -2.178 25.241 -1.494 1.00 13.02 H new ATOM 1331 N GLN A 236 -2.627 22.726 -6.377 1.00 11.97 N ATOM 1332 CA GLN A 236 -2.735 22.802 -7.828 1.00 12.36 C ATOM 1333 C GLN A 236 -2.476 24.231 -8.310 1.00 12.79 C ATOM 1334 O GLN A 236 -2.599 25.186 -7.540 1.00 12.91 O ATOM 1335 CB GLN A 236 -4.130 22.344 -8.264 1.00 12.49 C ATOM 1336 CG GLN A 236 -4.199 21.838 -9.695 1.00 12.78 C ATOM 1337 CD GLN A 236 -3.300 20.642 -9.934 1.00 13.04 C ATOM 1338 OE1 GLN A 236 -2.140 20.790 -10.310 1.00 13.08 O ATOM 1339 NE2 GLN A 236 -3.825 19.449 -9.711 1.00 13.40 N ATOM 0 H GLN A 236 -3.478 22.987 -5.880 1.00 11.97 H new ATOM 0 HA GLN A 236 -1.985 22.148 -8.273 1.00 12.36 H new ATOM 0 HB2 GLN A 236 -4.467 21.553 -7.594 1.00 12.49 H new ATOM 0 HB3 GLN A 236 -4.825 23.176 -8.150 1.00 12.49 H new ATOM 0 HG2 GLN A 236 -5.228 21.567 -9.932 1.00 12.78 H new ATOM 0 HG3 GLN A 236 -3.916 22.642 -10.375 1.00 12.78 H new ATOM 0 HE21 GLN A 236 -4.793 19.368 -9.399 1.00 13.40 H new ATOM 0 HE22 GLN A 236 -3.262 18.610 -9.851 1.00 13.40 H new ATOM 1348 N ALA A 237 -2.119 24.379 -9.578 1.00 13.20 N ATOM 1349 CA ALA A 237 -1.861 25.696 -10.151 1.00 13.80 C ATOM 1350 C ALA A 237 -3.091 26.192 -10.901 1.00 14.33 C ATOM 1351 O ALA A 237 -3.035 27.165 -11.652 1.00 14.81 O ATOM 1352 CB ALA A 237 -0.647 25.652 -11.068 1.00 14.21 C ATOM 0 H ALA A 237 -2.001 23.604 -10.231 1.00 13.20 H new ATOM 0 HA ALA A 237 -1.646 26.394 -9.342 1.00 13.80 H new ATOM 0 HB1 ALA A 237 -0.470 26.643 -11.486 1.00 14.21 H new ATOM 0 HB2 ALA A 237 0.228 25.337 -10.499 1.00 14.21 H new ATOM 0 HB3 ALA A 237 -0.828 24.944 -11.877 1.00 14.21 H new ATOM 1358 N GLN A 238 -4.199 25.505 -10.685 1.00 14.40 N ATOM 1359 CA GLN A 238 -5.456 25.851 -11.321 1.00 15.05 C ATOM 1360 C GLN A 238 -6.202 26.865 -10.468 1.00 15.31 C ATOM 1361 O GLN A 238 -6.663 27.882 -11.018 1.00 15.61 O ATOM 1362 CB GLN A 238 -6.309 24.594 -11.526 1.00 15.30 C ATOM 1363 CG GLN A 238 -7.520 24.810 -12.423 1.00 15.63 C ATOM 1364 CD GLN A 238 -7.138 25.126 -13.855 1.00 15.81 C ATOM 1365 OE1 GLN A 238 -6.913 24.222 -14.666 1.00 15.98 O ATOM 1366 NE2 GLN A 238 -7.073 26.405 -14.180 1.00 15.93 N ATOM 1367 OXT GLN A 238 -6.304 26.649 -9.239 1.00 15.35 O1- ATOM 0 H GLN A 238 -4.252 24.696 -10.067 1.00 14.40 H new ATOM 0 HA GLN A 238 -5.253 26.292 -12.297 1.00 15.05 H new ATOM 0 HB2 GLN A 238 -5.686 23.810 -11.956 1.00 15.30 H new ATOM 0 HB3 GLN A 238 -6.648 24.235 -10.554 1.00 15.30 H new ATOM 0 HG2 GLN A 238 -8.143 23.916 -12.406 1.00 15.63 H new ATOM 0 HG3 GLN A 238 -8.122 25.626 -12.023 1.00 15.63 H new ATOM 0 HE21 GLN A 238 -7.267 27.120 -13.479 1.00 15.93 H new ATOM 0 HE22 GLN A 238 -6.829 26.677 -15.132 1.00 15.93 H new TER 1376 GLN A 238 ATOM 1377 N SER B 101 -32.854 -23.762 11.273 1.00 35.36 N ATOM 1378 CA SER B 101 -31.434 -23.606 11.647 1.00 34.91 C ATOM 1379 C SER B 101 -30.882 -22.273 11.148 1.00 34.43 C ATOM 1380 O SER B 101 -30.870 -21.997 9.946 1.00 34.37 O ATOM 1381 CB SER B 101 -30.622 -24.765 11.076 1.00 35.00 C ATOM 1382 OG SER B 101 -31.279 -26.002 11.297 1.00 35.49 O ATOM 0 HA SER B 101 -31.357 -23.615 12.734 1.00 34.91 H new ATOM 0 HB2 SER B 101 -30.470 -24.616 10.007 1.00 35.00 H new ATOM 0 HB3 SER B 101 -29.635 -24.785 11.539 1.00 35.00 H new ATOM 0 HG SER B 101 -32.247 -25.856 11.333 1.00 35.49 H new ATOM 1390 N THR B 102 -30.426 -21.451 12.077 1.00 34.15 N ATOM 1391 CA THR B 102 -29.879 -20.148 11.748 1.00 33.76 C ATOM 1392 C THR B 102 -28.400 -20.257 11.387 1.00 33.28 C ATOM 1393 O THR B 102 -27.863 -19.419 10.665 1.00 33.22 O ATOM 1394 CB THR B 102 -30.058 -19.180 12.926 1.00 33.83 C ATOM 1395 OG1 THR B 102 -30.796 -19.837 13.971 1.00 34.21 O ATOM 1396 CG2 THR B 102 -30.798 -17.925 12.485 1.00 33.72 C ATOM 0 H THR B 102 -30.425 -21.667 13.074 1.00 34.15 H new ATOM 0 HA THR B 102 -30.421 -19.762 10.885 1.00 33.76 H new ATOM 0 HB THR B 102 -29.075 -18.887 13.294 1.00 33.83 H new ATOM 0 HG1 THR B 102 -30.911 -19.223 14.726 1.00 34.21 H new ATOM 0 HG21 THR B 102 -30.914 -17.253 13.335 1.00 33.72 H new ATOM 0 HG22 THR B 102 -30.230 -17.424 11.701 1.00 33.72 H new ATOM 0 HG23 THR B 102 -31.781 -18.198 12.102 1.00 33.72 H new ATOM 1404 N ASP B 103 -27.754 -21.297 11.894 1.00 33.03 N ATOM 1405 CA ASP B 103 -26.340 -21.533 11.629 1.00 32.64 C ATOM 1406 C ASP B 103 -26.155 -22.126 10.234 1.00 32.11 C ATOM 1407 O ASP B 103 -26.785 -23.126 9.889 1.00 31.91 O ATOM 1408 CB ASP B 103 -25.760 -22.476 12.687 1.00 32.81 C ATOM 1409 CG ASP B 103 -24.370 -22.969 12.338 1.00 32.63 C ATOM 1410 OD1 ASP B 103 -23.393 -22.230 12.580 1.00 32.53 O1- ATOM 1411 OD2 ASP B 103 -24.246 -24.107 11.833 1.00 32.67 O ATOM 0 H ASP B 103 -28.189 -21.996 12.496 1.00 33.03 H new ATOM 0 HA ASP B 103 -25.809 -20.582 11.675 1.00 32.64 H new ATOM 0 HB2 ASP B 103 -25.727 -21.961 13.647 1.00 32.81 H new ATOM 0 HB3 ASP B 103 -26.424 -23.332 12.807 1.00 32.81 H new ATOM 1416 N SER B 104 -25.313 -21.496 9.430 1.00 31.97 N ATOM 1417 CA SER B 104 -25.056 -21.963 8.075 1.00 31.54 C ATOM 1418 C SER B 104 -23.655 -21.562 7.612 1.00 31.14 C ATOM 1419 O SER B 104 -23.204 -20.442 7.873 1.00 31.23 O ATOM 1420 CB SER B 104 -26.106 -21.398 7.113 1.00 31.91 C ATOM 1421 OG SER B 104 -27.416 -21.805 7.487 1.00 32.43 O ATOM 0 H SER B 104 -24.794 -20.658 9.692 1.00 31.97 H new ATOM 0 HA SER B 104 -25.118 -23.051 8.075 1.00 31.54 H new ATOM 0 HB2 SER B 104 -26.048 -20.310 7.106 1.00 31.91 H new ATOM 0 HB3 SER B 104 -25.893 -21.735 6.099 1.00 31.91 H new ATOM 0 HG SER B 104 -28.067 -21.430 6.858 1.00 32.43 H new ATOM 1427 N THR B 105 -22.982 -22.495 6.940 1.00 30.79 N ATOM 1428 CA THR B 105 -21.637 -22.282 6.408 1.00 30.46 C ATOM 1429 C THR B 105 -20.602 -22.092 7.519 1.00 29.85 C ATOM 1430 O THR B 105 -20.412 -20.985 8.027 1.00 29.61 O ATOM 1431 CB THR B 105 -21.593 -21.080 5.441 1.00 30.44 C ATOM 1432 OG1 THR B 105 -22.653 -21.192 4.480 1.00 30.93 O ATOM 1433 CG2 THR B 105 -20.256 -21.010 4.714 1.00 30.50 C ATOM 0 H THR B 105 -23.356 -23.424 6.748 1.00 30.79 H new ATOM 0 HA THR B 105 -21.380 -23.186 5.855 1.00 30.46 H new ATOM 0 HB THR B 105 -21.717 -20.169 6.026 1.00 30.44 H new ATOM 0 HG1 THR B 105 -22.623 -20.426 3.869 1.00 30.93 H new ATOM 0 HG21 THR B 105 -20.253 -20.154 4.039 1.00 30.50 H new ATOM 0 HG22 THR B 105 -19.452 -20.902 5.441 1.00 30.50 H new ATOM 0 HG23 THR B 105 -20.106 -21.924 4.140 1.00 30.50 H new ATOM 1441 N PRO B 106 -19.929 -23.183 7.914 1.00 29.68 N ATOM 1442 CA PRO B 106 -18.900 -23.148 8.957 1.00 29.20 C ATOM 1443 C PRO B 106 -17.667 -22.364 8.517 1.00 28.60 C ATOM 1444 O PRO B 106 -17.158 -22.555 7.410 1.00 28.39 O ATOM 1445 CB PRO B 106 -18.538 -24.625 9.171 1.00 29.37 C ATOM 1446 CG PRO B 106 -19.594 -25.415 8.478 1.00 29.85 C ATOM 1447 CD PRO B 106 -20.123 -24.538 7.382 1.00 30.05 C ATOM 0 HA PRO B 106 -19.258 -22.653 9.860 1.00 29.20 H new ATOM 0 HB2 PRO B 106 -17.553 -24.848 8.761 1.00 29.37 H new ATOM 0 HB3 PRO B 106 -18.504 -24.868 10.233 1.00 29.37 H new ATOM 0 HG2 PRO B 106 -19.185 -26.340 8.072 1.00 29.85 H new ATOM 0 HG3 PRO B 106 -20.388 -25.694 9.170 1.00 29.85 H new ATOM 0 HD2 PRO B 106 -19.579 -24.686 6.449 1.00 30.05 H new ATOM 0 HD3 PRO B 106 -21.173 -24.743 7.174 1.00 30.05 H new ATOM 1455 N MET B 107 -17.191 -21.485 9.389 1.00 28.40 N ATOM 1456 CA MET B 107 -16.019 -20.673 9.101 1.00 27.90 C ATOM 1457 C MET B 107 -14.756 -21.408 9.527 1.00 27.40 C ATOM 1458 O MET B 107 -14.471 -21.522 10.718 1.00 27.53 O ATOM 1459 CB MET B 107 -16.116 -19.329 9.827 1.00 28.12 C ATOM 1460 CG MET B 107 -14.991 -18.363 9.491 1.00 28.42 C ATOM 1461 SD MET B 107 -15.019 -17.827 7.768 1.00 28.81 S ATOM 1462 CE MET B 107 -16.530 -16.863 7.730 1.00 29.25 C ATOM 0 H MET B 107 -17.603 -21.317 10.307 1.00 28.40 H new ATOM 0 HA MET B 107 -15.975 -20.489 8.028 1.00 27.90 H new ATOM 0 HB2 MET B 107 -17.069 -18.862 9.579 1.00 28.12 H new ATOM 0 HB3 MET B 107 -16.119 -19.508 10.902 1.00 28.12 H new ATOM 0 HG2 MET B 107 -15.063 -17.490 10.139 1.00 28.42 H new ATOM 0 HG3 MET B 107 -14.034 -18.840 9.703 1.00 28.42 H new ATOM 0 HE1 MET B 107 -16.526 -16.215 6.854 1.00 29.25 H new ATOM 0 HE2 MET B 107 -17.388 -17.533 7.681 1.00 29.25 H new ATOM 0 HE3 MET B 107 -16.596 -16.254 8.632 1.00 29.25 H new ATOM 1472 N PHE B 108 -14.017 -21.919 8.554 1.00 26.90 N ATOM 1473 CA PHE B 108 -12.792 -22.658 8.832 1.00 26.45 C ATOM 1474 C PHE B 108 -11.575 -21.736 8.827 1.00 25.50 C ATOM 1475 O PHE B 108 -10.561 -22.031 9.460 1.00 25.24 O ATOM 1476 CB PHE B 108 -12.593 -23.773 7.802 1.00 26.78 C ATOM 1477 CG PHE B 108 -13.707 -24.780 7.764 1.00 27.55 C ATOM 1478 CD1 PHE B 108 -13.845 -25.719 8.773 1.00 28.09 C ATOM 1479 CD2 PHE B 108 -14.611 -24.791 6.715 1.00 27.83 C ATOM 1480 CE1 PHE B 108 -14.866 -26.647 8.735 1.00 28.87 C ATOM 1481 CE2 PHE B 108 -15.633 -25.715 6.674 1.00 28.61 C ATOM 1482 CZ PHE B 108 -15.761 -26.646 7.686 1.00 29.12 C ATOM 0 H PHE B 108 -14.244 -21.836 7.563 1.00 26.90 H new ATOM 0 HA PHE B 108 -12.891 -23.096 9.825 1.00 26.45 H new ATOM 0 HB2 PHE B 108 -12.489 -23.325 6.814 1.00 26.78 H new ATOM 0 HB3 PHE B 108 -11.658 -24.290 8.018 1.00 26.78 H new ATOM 0 HD1 PHE B 108 -13.147 -25.725 9.597 1.00 28.09 H new ATOM 0 HD2 PHE B 108 -14.514 -24.067 5.920 1.00 27.83 H new ATOM 0 HE1 PHE B 108 -14.964 -27.374 9.527 1.00 28.87 H new ATOM 0 HE2 PHE B 108 -16.333 -25.711 5.851 1.00 28.61 H new ATOM 0 HZ PHE B 108 -16.560 -27.372 7.656 1.00 29.12 H new ATOM 1492 N GLU B 109 -11.684 -20.628 8.107 1.00 25.08 N ATOM 1493 CA GLU B 109 -10.595 -19.664 8.006 1.00 24.24 C ATOM 1494 C GLU B 109 -10.249 -19.062 9.365 1.00 23.47 C ATOM 1495 O GLU B 109 -11.126 -18.597 10.097 1.00 23.64 O ATOM 1496 CB GLU B 109 -10.959 -18.544 7.027 1.00 24.33 C ATOM 1497 CG GLU B 109 -11.191 -19.023 5.604 1.00 24.89 C ATOM 1498 CD GLU B 109 -12.640 -19.370 5.335 1.00 25.22 C ATOM 1499 OE1 GLU B 109 -13.404 -18.468 4.941 1.00 25.35 O ATOM 1500 OE2 GLU B 109 -13.025 -20.549 5.518 1.00 25.44 O1- ATOM 0 H GLU B 109 -12.520 -20.373 7.581 1.00 25.08 H new ATOM 0 HA GLU B 109 -9.721 -20.200 7.636 1.00 24.24 H new ATOM 0 HB2 GLU B 109 -11.859 -18.042 7.382 1.00 24.33 H new ATOM 0 HB3 GLU B 109 -10.160 -17.802 7.025 1.00 24.33 H new ATOM 0 HG2 GLU B 109 -10.872 -18.248 4.907 1.00 24.89 H new ATOM 0 HG3 GLU B 109 -10.570 -19.899 5.414 1.00 24.89 H new ATOM 1507 N TYR B 110 -8.961 -19.074 9.689 1.00 22.72 N ATOM 1508 CA TYR B 110 -8.476 -18.520 10.947 1.00 22.00 C ATOM 1509 C TYR B 110 -8.040 -17.075 10.733 1.00 21.09 C ATOM 1510 O TYR B 110 -7.974 -16.607 9.594 1.00 20.78 O ATOM 1511 CB TYR B 110 -7.301 -19.342 11.476 1.00 21.98 C ATOM 1512 CG TYR B 110 -7.519 -20.834 11.424 1.00 22.41 C ATOM 1513 CD1 TYR B 110 -8.401 -21.458 12.296 1.00 22.68 C ATOM 1514 CD2 TYR B 110 -6.833 -21.620 10.508 1.00 22.67 C ATOM 1515 CE1 TYR B 110 -8.594 -22.823 12.255 1.00 23.17 C ATOM 1516 CE2 TYR B 110 -7.022 -22.986 10.462 1.00 23.17 C ATOM 1517 CZ TYR B 110 -7.903 -23.581 11.337 1.00 23.41 C ATOM 1518 OH TYR B 110 -8.095 -24.940 11.295 1.00 24.00 O ATOM 0 H TYR B 110 -8.230 -19.464 9.094 1.00 22.72 H new ATOM 0 HA TYR B 110 -9.282 -18.553 11.680 1.00 22.00 H new ATOM 0 HB2 TYR B 110 -6.410 -19.096 10.898 1.00 21.98 H new ATOM 0 HB3 TYR B 110 -7.103 -19.050 12.507 1.00 21.98 H new ATOM 0 HD1 TYR B 110 -8.944 -20.866 13.017 1.00 22.68 H new ATOM 0 HD2 TYR B 110 -6.141 -21.155 9.821 1.00 22.67 H new ATOM 0 HE1 TYR B 110 -9.284 -23.295 12.939 1.00 23.17 H new ATOM 0 HE2 TYR B 110 -6.482 -23.585 9.744 1.00 23.17 H new ATOM 0 HH TYR B 110 -7.534 -25.328 10.591 1.00 24.00 H new ATOM 1528 N GLU B 111 -7.744 -16.364 11.813 1.00 20.77 N ATOM 1529 CA GLU B 111 -7.318 -14.973 11.704 1.00 19.99 C ATOM 1530 C GLU B 111 -6.313 -14.581 12.785 1.00 19.16 C ATOM 1531 O GLU B 111 -5.656 -13.548 12.677 1.00 19.28 O ATOM 1532 CB GLU B 111 -8.531 -14.030 11.749 1.00 20.31 C ATOM 1533 CG GLU B 111 -9.672 -14.506 12.640 1.00 20.68 C ATOM 1534 CD GLU B 111 -9.296 -14.560 14.107 1.00 20.91 C ATOM 1535 OE1 GLU B 111 -8.884 -13.517 14.661 1.00 21.02 O1- ATOM 1536 OE2 GLU B 111 -9.410 -15.647 14.706 1.00 21.10 O ATOM 0 H GLU B 111 -7.790 -16.722 12.767 1.00 20.77 H new ATOM 0 HA GLU B 111 -6.816 -14.874 10.741 1.00 19.99 H new ATOM 0 HB2 GLU B 111 -8.201 -13.051 12.096 1.00 20.31 H new ATOM 0 HB3 GLU B 111 -8.910 -13.898 10.735 1.00 20.31 H new ATOM 0 HG2 GLU B 111 -10.526 -13.840 12.514 1.00 20.68 H new ATOM 0 HG3 GLU B 111 -9.990 -15.497 12.316 1.00 20.68 H new ATOM 1543 N ASN B 112 -6.188 -15.400 13.820 1.00 18.42 N ATOM 1544 CA ASN B 112 -5.264 -15.096 14.907 1.00 17.65 C ATOM 1545 C ASN B 112 -3.881 -15.662 14.623 1.00 16.89 C ATOM 1546 O ASN B 112 -3.696 -16.879 14.613 1.00 16.78 O ATOM 1547 CB ASN B 112 -5.791 -15.641 16.234 1.00 17.58 C ATOM 1548 CG ASN B 112 -5.684 -14.625 17.354 1.00 17.23 C ATOM 1549 OD1 ASN B 112 -4.628 -14.460 17.963 1.00 17.01 O ATOM 1550 ND2 ASN B 112 -6.784 -13.941 17.638 1.00 17.33 N ATOM 0 H ASN B 112 -6.708 -16.271 13.931 1.00 18.42 H new ATOM 0 HA ASN B 112 -5.184 -14.011 14.981 1.00 17.65 H new ATOM 0 HB2 ASN B 112 -6.833 -15.939 16.114 1.00 17.58 H new ATOM 0 HB3 ASN B 112 -5.232 -16.537 16.504 1.00 17.58 H new ATOM 0 HD21 ASN B 112 -6.775 -13.248 18.386 1.00 17.33 H new ATOM 0 HD22 ASN B 112 -7.640 -14.108 17.108 1.00 17.33 H new ATOM 1557 N LEU B 113 -2.921 -14.764 14.391 1.00 16.49 N ATOM 1558 CA LEU B 113 -1.534 -15.137 14.100 1.00 15.86 C ATOM 1559 C LEU B 113 -1.447 -16.017 12.856 1.00 15.11 C ATOM 1560 O LEU B 113 -1.413 -17.243 12.947 1.00 15.28 O ATOM 1561 CB LEU B 113 -0.894 -15.848 15.300 1.00 16.39 C ATOM 1562 CG LEU B 113 -0.363 -14.924 16.398 1.00 16.71 C ATOM 1563 CD1 LEU B 113 -0.215 -15.685 17.704 1.00 17.03 C ATOM 1564 CD2 LEU B 113 0.969 -14.320 15.982 1.00 17.03 C ATOM 0 H LEU B 113 -3.083 -13.757 14.399 1.00 16.49 H new ATOM 0 HA LEU B 113 -0.981 -14.218 13.906 1.00 15.86 H new ATOM 0 HB2 LEU B 113 -1.631 -16.521 15.739 1.00 16.39 H new ATOM 0 HB3 LEU B 113 -0.072 -16.467 14.939 1.00 16.39 H new ATOM 0 HG LEU B 113 -1.079 -14.116 16.548 1.00 16.71 H new ATOM 0 HD11 LEU B 113 0.164 -15.014 18.475 1.00 17.03 H new ATOM 0 HD12 LEU B 113 -1.185 -16.077 18.009 1.00 17.03 H new ATOM 0 HD13 LEU B 113 0.483 -16.511 17.567 1.00 17.03 H new ATOM 0 HD21 LEU B 113 1.334 -13.665 16.773 1.00 17.03 H new ATOM 0 HD22 LEU B 113 1.692 -15.117 15.808 1.00 17.03 H new ATOM 0 HD23 LEU B 113 0.837 -13.744 15.066 1.00 17.03 H new ATOM 1576 N GLU B 114 -1.408 -15.381 11.695 1.00 14.37 N ATOM 1577 CA GLU B 114 -1.331 -16.104 10.433 1.00 13.68 C ATOM 1578 C GLU B 114 0.118 -16.355 10.032 1.00 13.12 C ATOM 1579 O GLU B 114 1.031 -15.641 10.461 1.00 13.03 O ATOM 1580 CB GLU B 114 -2.047 -15.328 9.327 1.00 13.43 C ATOM 1581 CG GLU B 114 -3.285 -16.029 8.790 1.00 13.57 C ATOM 1582 CD GLU B 114 -2.987 -17.391 8.194 1.00 13.68 C ATOM 1583 OE1 GLU B 114 -1.893 -17.565 7.612 1.00 13.83 O ATOM 1584 OE2 GLU B 114 -3.849 -18.291 8.304 1.00 13.80 O1- ATOM 0 H GLU B 114 -1.428 -14.366 11.600 1.00 14.37 H new ATOM 0 HA GLU B 114 -1.824 -17.067 10.571 1.00 13.68 H new ATOM 0 HB2 GLU B 114 -2.333 -14.348 9.710 1.00 13.43 H new ATOM 0 HB3 GLU B 114 -1.351 -15.159 8.505 1.00 13.43 H new ATOM 0 HG2 GLU B 114 -4.009 -16.143 9.597 1.00 13.57 H new ATOM 0 HG3 GLU B 114 -3.750 -15.401 8.030 1.00 13.57 H new ATOM 1591 N ASP B 115 0.314 -17.364 9.196 1.00 12.91 N ATOM 1592 CA ASP B 115 1.637 -17.744 8.715 1.00 12.53 C ATOM 1593 C ASP B 115 1.811 -17.287 7.270 1.00 11.84 C ATOM 1594 O ASP B 115 2.922 -17.215 6.748 1.00 11.73 O ATOM 1595 CB ASP B 115 1.821 -19.266 8.824 1.00 13.18 C ATOM 1596 CG ASP B 115 3.141 -19.742 8.248 1.00 13.20 C ATOM 1597 OD1 ASP B 115 4.207 -19.361 8.786 1.00 13.30 O ATOM 1598 OD2 ASP B 115 3.119 -20.504 7.256 1.00 13.29 O1- ATOM 0 H ASP B 115 -0.441 -17.945 8.830 1.00 12.91 H new ATOM 0 HA ASP B 115 2.395 -17.260 9.330 1.00 12.53 H new ATOM 0 HB2 ASP B 115 1.760 -19.560 9.872 1.00 13.18 H new ATOM 0 HB3 ASP B 115 1.003 -19.764 8.305 1.00 13.18 H new ATOM 1603 N ASN B 116 0.699 -16.930 6.637 1.00 11.51 N ATOM 1604 CA ASN B 116 0.706 -16.480 5.244 1.00 10.99 C ATOM 1605 C ASN B 116 1.201 -15.038 5.113 1.00 10.00 C ATOM 1606 O ASN B 116 0.904 -14.359 4.133 1.00 9.54 O ATOM 1607 CB ASN B 116 -0.694 -16.601 4.633 1.00 11.43 C ATOM 1608 CG ASN B 116 -1.035 -18.024 4.239 1.00 11.80 C ATOM 1609 OD1 ASN B 116 -0.759 -18.456 3.116 1.00 12.04 O ATOM 1610 ND2 ASN B 116 -1.639 -18.764 5.155 1.00 12.05 N ATOM 0 H ASN B 116 -0.226 -16.943 7.067 1.00 11.51 H new ATOM 0 HA ASN B 116 1.397 -17.126 4.702 1.00 10.99 H new ATOM 0 HB2 ASN B 116 -1.432 -16.239 5.349 1.00 11.43 H new ATOM 0 HB3 ASN B 116 -0.760 -15.959 3.755 1.00 11.43 H new ATOM 0 HD21 ASN B 116 -1.894 -19.729 4.944 1.00 12.05 H new ATOM 0 HD22 ASN B 116 -1.850 -18.369 6.072 1.00 12.05 H new ATOM 1617 N SER B 117 1.976 -14.582 6.085 1.00 9.85 N ATOM 1618 CA SER B 117 2.508 -13.228 6.064 1.00 9.09 C ATOM 1619 C SER B 117 3.569 -13.085 4.971 1.00 8.48 C ATOM 1620 O SER B 117 3.700 -12.027 4.361 1.00 7.94 O ATOM 1621 CB SER B 117 3.095 -12.876 7.435 1.00 9.58 C ATOM 1622 OG SER B 117 2.137 -13.074 8.465 1.00 10.42 O ATOM 0 H SER B 117 2.251 -15.131 6.900 1.00 9.85 H new ATOM 0 HA SER B 117 1.697 -12.535 5.842 1.00 9.09 H new ATOM 0 HB2 SER B 117 3.974 -13.492 7.627 1.00 9.58 H new ATOM 0 HB3 SER B 117 3.427 -11.838 7.437 1.00 9.58 H new ATOM 0 HG SER B 117 2.535 -12.845 9.331 1.00 10.42 H new ATOM 1628 N LYS B 118 4.301 -14.168 4.714 1.00 8.71 N ATOM 1629 CA LYS B 118 5.344 -14.172 3.688 1.00 8.32 C ATOM 1630 C LYS B 118 4.742 -13.966 2.295 1.00 7.50 C ATOM 1631 O LYS B 118 5.427 -13.549 1.357 1.00 7.07 O ATOM 1632 CB LYS B 118 6.121 -15.490 3.744 1.00 9.09 C ATOM 1633 CG LYS B 118 7.257 -15.580 2.735 1.00 9.49 C ATOM 1634 CD LYS B 118 8.012 -16.894 2.854 1.00 10.17 C ATOM 1635 CE LYS B 118 8.977 -17.086 1.699 1.00 10.68 C ATOM 1636 NZ LYS B 118 9.879 -18.243 1.922 1.00 11.16 N1+ ATOM 0 H LYS B 118 4.191 -15.056 5.203 1.00 8.71 H new ATOM 0 HA LYS B 118 6.027 -13.346 3.884 1.00 8.32 H new ATOM 0 HB2 LYS B 118 6.528 -15.618 4.747 1.00 9.09 H new ATOM 0 HB3 LYS B 118 5.430 -16.315 3.573 1.00 9.09 H new ATOM 0 HG2 LYS B 118 6.856 -15.481 1.726 1.00 9.49 H new ATOM 0 HG3 LYS B 118 7.946 -14.749 2.888 1.00 9.49 H new ATOM 0 HD2 LYS B 118 8.561 -16.916 3.796 1.00 10.17 H new ATOM 0 HD3 LYS B 118 7.303 -17.722 2.879 1.00 10.17 H new ATOM 0 HE2 LYS B 118 8.415 -17.235 0.777 1.00 10.68 H new ATOM 0 HE3 LYS B 118 9.571 -16.182 1.567 1.00 10.68 H new ATOM 0 HZ1 LYS B 118 10.523 -18.342 1.112 1.00 11.16 H new ATOM 0 HZ2 LYS B 118 10.433 -18.089 2.788 1.00 11.16 H new ATOM 0 HZ3 LYS B 118 9.313 -19.110 2.022 1.00 11.16 H new ATOM 1650 N GLU B 119 3.451 -14.242 2.167 1.00 7.48 N ATOM 1651 CA GLU B 119 2.766 -14.085 0.894 1.00 6.99 C ATOM 1652 C GLU B 119 2.463 -12.617 0.623 1.00 6.13 C ATOM 1653 O GLU B 119 2.264 -12.212 -0.522 1.00 5.77 O ATOM 1654 CB GLU B 119 1.472 -14.900 0.880 1.00 7.65 C ATOM 1655 CG GLU B 119 1.701 -16.400 0.965 1.00 8.43 C ATOM 1656 CD GLU B 119 2.662 -16.902 -0.096 1.00 9.01 C ATOM 1657 OE1 GLU B 119 3.886 -16.849 0.135 1.00 9.34 O ATOM 1658 OE2 GLU B 119 2.193 -17.349 -1.166 1.00 9.37 O1- ATOM 0 H GLU B 119 2.859 -14.575 2.928 1.00 7.48 H new ATOM 0 HA GLU B 119 3.423 -14.454 0.106 1.00 6.99 H new ATOM 0 HB2 GLU B 119 0.846 -14.588 1.716 1.00 7.65 H new ATOM 0 HB3 GLU B 119 0.920 -14.676 -0.033 1.00 7.65 H new ATOM 0 HG2 GLU B 119 2.092 -16.649 1.952 1.00 8.43 H new ATOM 0 HG3 GLU B 119 0.747 -16.916 0.860 1.00 8.43 H new ATOM 1665 N TRP B 120 2.443 -11.824 1.687 1.00 6.01 N ATOM 1666 CA TRP B 120 2.172 -10.399 1.577 1.00 5.38 C ATOM 1667 C TRP B 120 3.366 -9.677 0.959 1.00 4.90 C ATOM 1668 O TRP B 120 3.204 -8.743 0.172 1.00 4.43 O ATOM 1669 CB TRP B 120 1.841 -9.808 2.954 1.00 5.80 C ATOM 1670 CG TRP B 120 1.790 -8.313 2.966 1.00 5.98 C ATOM 1671 CD1 TRP B 120 0.805 -7.524 2.449 1.00 6.39 C ATOM 1672 CD2 TRP B 120 2.773 -7.430 3.512 1.00 6.18 C ATOM 1673 NE1 TRP B 120 1.117 -6.202 2.636 1.00 6.78 N ATOM 1674 CE2 TRP B 120 2.322 -6.119 3.285 1.00 6.64 C ATOM 1675 CE3 TRP B 120 3.996 -7.622 4.168 1.00 6.35 C ATOM 1676 CZ2 TRP B 120 3.046 -5.007 3.691 1.00 7.17 C ATOM 1677 CZ3 TRP B 120 4.712 -6.512 4.572 1.00 6.93 C ATOM 1678 CH2 TRP B 120 4.236 -5.220 4.328 1.00 7.28 C ATOM 0 H TRP B 120 2.612 -12.147 2.640 1.00 6.01 H new ATOM 0 HA TRP B 120 1.309 -10.260 0.926 1.00 5.38 H new ATOM 0 HB2 TRP B 120 0.879 -10.199 3.287 1.00 5.80 H new ATOM 0 HB3 TRP B 120 2.588 -10.144 3.674 1.00 5.80 H new ATOM 0 HD1 TRP B 120 -0.089 -7.887 1.964 1.00 6.39 H new ATOM 0 HE1 TRP B 120 0.546 -5.410 2.341 1.00 6.78 H new ATOM 0 HE3 TRP B 120 4.371 -8.617 4.354 1.00 6.35 H new ATOM 0 HZ2 TRP B 120 2.681 -4.007 3.510 1.00 7.17 H new ATOM 0 HZ3 TRP B 120 5.654 -6.644 5.084 1.00 6.93 H new ATOM 0 HH2 TRP B 120 4.822 -4.372 4.650 1.00 7.28 H new ATOM 1689 N THR B 121 4.567 -10.128 1.294 1.00 5.33 N ATOM 1690 CA THR B 121 5.780 -9.518 0.768 1.00 5.34 C ATOM 1691 C THR B 121 5.977 -9.861 -0.709 1.00 5.03 C ATOM 1692 O THR B 121 6.894 -9.361 -1.360 1.00 5.08 O ATOM 1693 CB THR B 121 7.011 -9.945 1.584 1.00 6.28 C ATOM 1694 OG1 THR B 121 6.781 -11.235 2.171 1.00 6.81 O ATOM 1695 CG2 THR B 121 7.305 -8.928 2.680 1.00 6.77 C ATOM 0 H THR B 121 4.727 -10.912 1.926 1.00 5.33 H new ATOM 0 HA THR B 121 5.667 -8.437 0.855 1.00 5.34 H new ATOM 0 HB THR B 121 7.870 -9.997 0.916 1.00 6.28 H new ATOM 0 HG1 THR B 121 6.374 -11.829 1.506 1.00 6.81 H new ATOM 0 HG21 THR B 121 8.179 -9.247 3.247 1.00 6.77 H new ATOM 0 HG22 THR B 121 7.499 -7.954 2.230 1.00 6.77 H new ATOM 0 HG23 THR B 121 6.447 -8.854 3.348 1.00 6.77 H new ATOM 1703 N SER B 122 5.110 -10.721 -1.227 1.00 5.01 N ATOM 1704 CA SER B 122 5.148 -11.118 -2.627 1.00 4.99 C ATOM 1705 C SER B 122 3.835 -10.721 -3.303 1.00 4.55 C ATOM 1706 O SER B 122 3.461 -11.263 -4.342 1.00 4.76 O ATOM 1707 CB SER B 122 5.370 -12.630 -2.742 1.00 5.61 C ATOM 1708 OG SER B 122 6.281 -13.091 -1.752 1.00 6.23 O ATOM 0 H SER B 122 4.363 -11.161 -0.690 1.00 5.01 H new ATOM 0 HA SER B 122 5.975 -10.610 -3.124 1.00 4.99 H new ATOM 0 HB2 SER B 122 4.418 -13.150 -2.634 1.00 5.61 H new ATOM 0 HB3 SER B 122 5.754 -12.870 -3.734 1.00 5.61 H new ATOM 0 HG SER B 122 5.821 -13.157 -0.889 1.00 6.23 H new ATOM 1714 N LEU B 123 3.146 -9.758 -2.694 1.00 4.24 N ATOM 1715 CA LEU B 123 1.856 -9.279 -3.189 1.00 4.22 C ATOM 1716 C LEU B 123 1.967 -8.578 -4.543 1.00 4.10 C ATOM 1717 O LEU B 123 1.358 -9.006 -5.521 1.00 4.50 O ATOM 1718 CB LEU B 123 1.228 -8.331 -2.161 1.00 4.40 C ATOM 1719 CG LEU B 123 -0.087 -7.668 -2.584 1.00 5.14 C ATOM 1720 CD1 LEU B 123 -1.210 -8.694 -2.674 1.00 5.74 C ATOM 1721 CD2 LEU B 123 -0.459 -6.557 -1.611 1.00 5.71 C ATOM 0 H LEU B 123 3.464 -9.289 -1.846 1.00 4.24 H new ATOM 0 HA LEU B 123 1.220 -10.153 -3.333 1.00 4.22 H new ATOM 0 HB2 LEU B 123 1.053 -8.888 -1.240 1.00 4.40 H new ATOM 0 HB3 LEU B 123 1.950 -7.548 -1.928 1.00 4.40 H new ATOM 0 HG LEU B 123 0.055 -7.233 -3.573 1.00 5.14 H new ATOM 0 HD11 LEU B 123 -2.133 -8.198 -2.976 1.00 5.74 H new ATOM 0 HD12 LEU B 123 -0.949 -9.455 -3.410 1.00 5.74 H new ATOM 0 HD13 LEU B 123 -1.352 -9.164 -1.701 1.00 5.74 H new ATOM 0 HD21 LEU B 123 -1.395 -6.096 -1.926 1.00 5.71 H new ATOM 0 HD22 LEU B 123 -0.578 -6.974 -0.611 1.00 5.71 H new ATOM 0 HD23 LEU B 123 0.330 -5.805 -1.599 1.00 5.71 H new ATOM 1733 N PHE B 124 2.732 -7.498 -4.601 1.00 4.01 N ATOM 1734 CA PHE B 124 2.866 -6.744 -5.842 1.00 4.44 C ATOM 1735 C PHE B 124 4.146 -7.088 -6.591 1.00 4.95 C ATOM 1736 O PHE B 124 4.193 -6.998 -7.819 1.00 5.55 O ATOM 1737 CB PHE B 124 2.805 -5.244 -5.560 1.00 4.64 C ATOM 1738 CG PHE B 124 1.416 -4.753 -5.249 1.00 4.77 C ATOM 1739 CD1 PHE B 124 0.380 -4.939 -6.155 1.00 4.93 C ATOM 1740 CD2 PHE B 124 1.142 -4.106 -4.055 1.00 5.23 C ATOM 1741 CE1 PHE B 124 -0.896 -4.492 -5.874 1.00 5.43 C ATOM 1742 CE2 PHE B 124 -0.132 -3.657 -3.769 1.00 5.76 C ATOM 1743 CZ PHE B 124 -1.153 -3.851 -4.680 1.00 5.82 C ATOM 0 H PHE B 124 3.264 -7.126 -3.814 1.00 4.01 H new ATOM 0 HA PHE B 124 2.030 -7.026 -6.483 1.00 4.44 H new ATOM 0 HB2 PHE B 124 3.461 -5.012 -4.721 1.00 4.64 H new ATOM 0 HB3 PHE B 124 3.189 -4.703 -6.425 1.00 4.64 H new ATOM 0 HD1 PHE B 124 0.575 -5.440 -7.092 1.00 4.93 H new ATOM 0 HD2 PHE B 124 1.935 -3.951 -3.339 1.00 5.23 H new ATOM 0 HE1 PHE B 124 -1.692 -4.644 -6.588 1.00 5.43 H new ATOM 0 HE2 PHE B 124 -0.331 -3.154 -2.834 1.00 5.76 H new ATOM 0 HZ PHE B 124 -2.150 -3.501 -4.457 1.00 5.82 H new ATOM 1753 N ASP B 125 5.177 -7.483 -5.862 1.00 4.98 N ATOM 1754 CA ASP B 125 6.448 -7.820 -6.487 1.00 5.65 C ATOM 1755 C ASP B 125 6.744 -9.307 -6.359 1.00 5.72 C ATOM 1756 O ASP B 125 6.619 -9.887 -5.278 1.00 6.24 O ATOM 1757 CB ASP B 125 7.586 -7.009 -5.862 1.00 5.98 C ATOM 1758 CG ASP B 125 8.887 -7.153 -6.627 1.00 6.71 C ATOM 1759 OD1 ASP B 125 9.592 -8.167 -6.423 1.00 7.12 O1- ATOM 1760 OD2 ASP B 125 9.211 -6.255 -7.435 1.00 7.13 O ATOM 0 H ASP B 125 5.161 -7.578 -4.847 1.00 4.98 H new ATOM 0 HA ASP B 125 6.373 -7.572 -7.546 1.00 5.65 H new ATOM 0 HB2 ASP B 125 7.302 -5.957 -5.828 1.00 5.98 H new ATOM 0 HB3 ASP B 125 7.736 -7.332 -4.832 1.00 5.98 H new ATOM 1765 N ASN B 126 7.130 -9.917 -7.470 1.00 5.46 N ATOM 1766 CA ASN B 126 7.458 -11.337 -7.503 1.00 5.77 C ATOM 1767 C ASN B 126 8.241 -11.655 -8.770 1.00 5.90 C ATOM 1768 O ASN B 126 7.765 -12.369 -9.652 1.00 6.04 O ATOM 1769 CB ASN B 126 6.187 -12.189 -7.438 1.00 5.95 C ATOM 1770 CG ASN B 126 6.481 -13.651 -7.148 1.00 6.52 C ATOM 1771 OD1 ASN B 126 5.989 -14.544 -7.839 1.00 6.97 O ATOM 1772 ND2 ASN B 126 7.271 -13.906 -6.113 1.00 6.79 N ATOM 0 H ASN B 126 7.225 -9.446 -8.370 1.00 5.46 H new ATOM 0 HA ASN B 126 8.071 -11.574 -6.634 1.00 5.77 H new ATOM 0 HB2 ASN B 126 5.528 -11.794 -6.665 1.00 5.95 H new ATOM 0 HB3 ASN B 126 5.652 -12.110 -8.384 1.00 5.95 H new ATOM 0 HD21 ASN B 126 7.491 -14.871 -5.865 1.00 6.79 H new ATOM 0 HD22 ASN B 126 7.659 -13.137 -5.566 1.00 6.79 H new ATOM 1779 N ASP B 127 9.439 -11.099 -8.864 1.00 6.22 N ATOM 1780 CA ASP B 127 10.291 -11.308 -10.030 1.00 6.72 C ATOM 1781 C ASP B 127 10.992 -12.662 -9.972 1.00 7.18 C ATOM 1782 O ASP B 127 11.137 -13.341 -10.990 1.00 7.47 O ATOM 1783 CB ASP B 127 11.330 -10.189 -10.125 1.00 7.18 C ATOM 1784 CG ASP B 127 12.240 -10.333 -11.329 1.00 7.84 C ATOM 1785 OD1 ASP B 127 11.740 -10.272 -12.470 1.00 8.20 O ATOM 1786 OD2 ASP B 127 13.464 -10.483 -11.140 1.00 8.25 O1- ATOM 0 H ASP B 127 9.846 -10.498 -8.147 1.00 6.22 H new ATOM 0 HA ASP B 127 9.657 -11.293 -10.916 1.00 6.72 H new ATOM 0 HB2 ASP B 127 10.818 -9.228 -10.175 1.00 7.18 H new ATOM 0 HB3 ASP B 127 11.934 -10.182 -9.218 1.00 7.18 H new ATOM 1791 N ILE B 128 11.413 -13.055 -8.776 1.00 7.53 N ATOM 1792 CA ILE B 128 12.111 -14.320 -8.588 1.00 8.22 C ATOM 1793 C ILE B 128 11.157 -15.513 -8.641 1.00 8.70 C ATOM 1794 O ILE B 128 10.019 -15.432 -8.173 1.00 8.87 O ATOM 1795 CB ILE B 128 12.866 -14.352 -7.240 1.00 8.70 C ATOM 1796 CG1 ILE B 128 11.928 -13.979 -6.084 1.00 8.64 C ATOM 1797 CG2 ILE B 128 14.064 -13.417 -7.285 1.00 8.97 C ATOM 1798 CD1 ILE B 128 12.499 -14.286 -4.715 1.00 9.43 C ATOM 0 H ILE B 128 11.283 -12.515 -7.921 1.00 7.53 H new ATOM 0 HA ILE B 128 12.823 -14.398 -9.409 1.00 8.22 H new ATOM 0 HB ILE B 128 13.226 -15.366 -7.068 1.00 8.70 H new ATOM 0 HG12 ILE B 128 11.699 -12.915 -6.142 1.00 8.64 H new ATOM 0 HG13 ILE B 128 10.986 -14.515 -6.204 1.00 8.64 H new ATOM 0 HG21 ILE B 128 14.587 -13.449 -6.329 1.00 8.97 H new ATOM 0 HG22 ILE B 128 14.741 -13.731 -8.080 1.00 8.97 H new ATOM 0 HG23 ILE B 128 13.724 -12.400 -7.479 1.00 8.97 H new ATOM 0 HD11 ILE B 128 11.781 -13.996 -3.948 1.00 9.43 H new ATOM 0 HD12 ILE B 128 12.702 -15.354 -4.637 1.00 9.43 H new ATOM 0 HD13 ILE B 128 13.425 -13.729 -4.574 1.00 9.43 H new ATOM 1810 N PRO B 129 11.609 -16.633 -9.226 1.00 9.15 N ATOM 1811 CA PRO B 129 10.810 -17.848 -9.324 1.00 9.85 C ATOM 1812 C PRO B 129 10.881 -18.662 -8.034 1.00 10.63 C ATOM 1813 O PRO B 129 11.943 -19.161 -7.651 1.00 11.00 O ATOM 1814 CB PRO B 129 11.460 -18.599 -10.482 1.00 10.26 C ATOM 1815 CG PRO B 129 12.889 -18.167 -10.484 1.00 9.98 C ATOM 1816 CD PRO B 129 12.937 -16.796 -9.854 1.00 9.29 C ATOM 0 HA PRO B 129 9.750 -17.649 -9.483 1.00 9.85 H new ATOM 0 HB2 PRO B 129 11.376 -19.677 -10.347 1.00 10.26 H new ATOM 0 HB3 PRO B 129 10.975 -18.357 -11.428 1.00 10.26 H new ATOM 0 HG2 PRO B 129 13.505 -18.870 -9.924 1.00 9.98 H new ATOM 0 HG3 PRO B 129 13.282 -18.138 -11.500 1.00 9.98 H new ATOM 0 HD2 PRO B 129 13.737 -16.725 -9.117 1.00 9.29 H new ATOM 0 HD3 PRO B 129 13.122 -16.022 -10.599 1.00 9.29 H new ATOM 1824 N VAL B 130 9.751 -18.780 -7.357 1.00 11.05 N ATOM 1825 CA VAL B 130 9.689 -19.516 -6.105 1.00 11.95 C ATOM 1826 C VAL B 130 9.543 -21.014 -6.357 1.00 12.59 C ATOM 1827 O VAL B 130 10.279 -21.825 -5.793 1.00 12.77 O ATOM 1828 CB VAL B 130 8.520 -19.023 -5.228 1.00 12.34 C ATOM 1829 CG1 VAL B 130 8.517 -19.729 -3.885 1.00 12.40 C ATOM 1830 CG2 VAL B 130 8.593 -17.515 -5.036 1.00 12.18 C ATOM 0 H VAL B 130 8.863 -18.375 -7.654 1.00 11.05 H new ATOM 0 HA VAL B 130 10.625 -19.336 -5.577 1.00 11.95 H new ATOM 0 HB VAL B 130 7.588 -19.262 -5.741 1.00 12.34 H new ATOM 0 HG11 VAL B 130 7.684 -19.365 -3.284 1.00 12.40 H new ATOM 0 HG12 VAL B 130 8.411 -20.803 -4.039 1.00 12.40 H new ATOM 0 HG13 VAL B 130 9.454 -19.527 -3.366 1.00 12.40 H new ATOM 0 HG21 VAL B 130 7.760 -17.187 -4.415 1.00 12.18 H new ATOM 0 HG22 VAL B 130 9.533 -17.255 -4.549 1.00 12.18 H new ATOM 0 HG23 VAL B 130 8.538 -17.022 -6.006 1.00 12.18 H new ATOM 1840 N THR B 131 8.604 -21.369 -7.214 1.00 13.10 N ATOM 1841 CA THR B 131 8.352 -22.762 -7.540 1.00 13.88 C ATOM 1842 C THR B 131 9.161 -23.194 -8.761 1.00 14.63 C ATOM 1843 O THR B 131 8.787 -22.903 -9.896 1.00 14.78 O ATOM 1844 CB THR B 131 6.853 -22.980 -7.809 1.00 14.08 C ATOM 1845 OG1 THR B 131 6.244 -21.739 -8.200 1.00 14.22 O ATOM 1846 CG2 THR B 131 6.159 -23.525 -6.569 1.00 14.14 C ATOM 0 H THR B 131 7.999 -20.707 -7.700 1.00 13.10 H new ATOM 0 HA THR B 131 8.660 -23.369 -6.688 1.00 13.88 H new ATOM 0 HB THR B 131 6.747 -23.707 -8.614 1.00 14.08 H new ATOM 0 HG1 THR B 131 5.290 -21.883 -8.372 1.00 14.22 H new ATOM 0 HG21 THR B 131 5.100 -23.672 -6.780 1.00 14.14 H new ATOM 0 HG22 THR B 131 6.609 -24.477 -6.289 1.00 14.14 H new ATOM 0 HG23 THR B 131 6.270 -22.816 -5.749 1.00 14.14 H new ATOM 1854 N THR B 132 10.276 -23.872 -8.526 1.00 15.25 N ATOM 1855 CA THR B 132 11.127 -24.340 -9.611 1.00 16.11 C ATOM 1856 C THR B 132 11.056 -25.855 -9.759 1.00 16.43 C ATOM 1857 O THR B 132 11.253 -26.595 -8.793 1.00 16.63 O ATOM 1858 CB THR B 132 12.590 -23.922 -9.387 1.00 16.66 C ATOM 1859 OG1 THR B 132 12.810 -23.644 -7.995 1.00 16.38 O ATOM 1860 CG2 THR B 132 12.937 -22.695 -10.217 1.00 17.36 C ATOM 0 H THR B 132 10.612 -24.110 -7.593 1.00 15.25 H new ATOM 0 HA THR B 132 10.758 -23.878 -10.526 1.00 16.11 H new ATOM 0 HB THR B 132 13.233 -24.744 -9.701 1.00 16.66 H new ATOM 0 HG1 THR B 132 13.744 -23.380 -7.858 1.00 16.38 H new ATOM 0 HG21 THR B 132 13.977 -22.419 -10.041 1.00 17.36 H new ATOM 0 HG22 THR B 132 12.795 -22.919 -11.274 1.00 17.36 H new ATOM 0 HG23 THR B 132 12.289 -21.867 -9.931 1.00 17.36 H new ATOM 1868 N ASP B 133 10.768 -26.312 -10.971 1.00 16.62 N ATOM 1869 CA ASP B 133 10.674 -27.743 -11.252 1.00 17.09 C ATOM 1870 C ASP B 133 11.810 -28.184 -12.167 1.00 18.05 C ATOM 1871 O ASP B 133 12.298 -27.403 -12.982 1.00 18.48 O ATOM 1872 CB ASP B 133 9.319 -28.072 -11.894 1.00 16.97 C ATOM 1873 CG ASP B 133 9.165 -29.546 -12.216 1.00 16.91 C ATOM 1874 OD1 ASP B 133 9.108 -30.365 -11.272 1.00 16.99 O1- ATOM 1875 OD2 ASP B 133 9.107 -29.894 -13.417 1.00 16.92 O ATOM 0 H ASP B 133 10.595 -25.713 -11.778 1.00 16.62 H new ATOM 0 HA ASP B 133 10.757 -28.285 -10.310 1.00 17.09 H new ATOM 0 HB2 ASP B 133 8.519 -27.766 -11.220 1.00 16.97 H new ATOM 0 HB3 ASP B 133 9.205 -27.491 -12.809 1.00 16.97 H new ATOM 1880 N ASP B 134 12.243 -29.428 -12.015 1.00 18.48 N ATOM 1881 CA ASP B 134 13.320 -29.971 -12.831 1.00 19.48 C ATOM 1882 C ASP B 134 12.807 -31.142 -13.646 1.00 20.00 C ATOM 1883 O ASP B 134 12.372 -32.137 -13.034 1.00 20.13 O ATOM 1884 CB ASP B 134 14.499 -30.420 -11.960 1.00 19.84 C ATOM 1885 CG ASP B 134 15.566 -31.165 -12.750 1.00 20.68 C ATOM 1886 OD1 ASP B 134 16.311 -30.520 -13.512 1.00 21.19 O1- ATOM 1887 OD2 ASP B 134 15.675 -32.403 -12.598 1.00 20.91 O ATOM 1888 OXT ASP B 134 12.821 -31.056 -14.891 1.00 20.39 O1- ATOM 0 H ASP B 134 11.863 -30.082 -11.331 1.00 18.48 H new ATOM 0 HA ASP B 134 13.670 -29.186 -13.501 1.00 19.48 H new ATOM 0 HB2 ASP B 134 14.948 -29.547 -11.486 1.00 19.84 H new ATOM 0 HB3 ASP B 134 14.130 -31.063 -11.161 1.00 19.84 H new TER 1893 ASP B 134