USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 848 hydrogens (43 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 73 MET CE :methyl 158:sc= -0.445 (180deg=-1.43) USER MOD Set 1.2: A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 171:sc= 0.0628 (180deg=0.0449) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.898 K(o=-0.9,f=-3.4!) USER MOD Single : A 79 HIS : no HD1:sc= -1.87! K(o=-1.9!,f=-0.75) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 13:sc= -0.467! USER MOD Single : A 98 SER OG : rot -170:sc= -1.69 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 106 GLN : amide:sc= -0.856 K(o=-0.86,f=-2.1) USER MOD Single : A 107 HIS : no HD1:sc= -1.53 X(o=-1.5,f=-1.2) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 ASN : amide:sc= -0.418 K(o=-0.42,f=-2.1!) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 ASN : amide:sc= -0.314 K(o=-0.31,f=-1.6) USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 HIS : no HD1:sc= -1.32 K(o=-1.3,f=-2.2!) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 141 SER OG : rot 99:sc= 1.4 USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 GLN : amide:sc= -0.312 K(o=-0.31,f=-2.9!) USER MOD Single : A 145 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 153 GLN : amide:sc= -3.71! C(o=-3.7!,f=-2.9!) USER MOD Single : A 156 GLN : amide:sc= -0.108 K(o=-0.11,f=-0.89) USER MOD Single : A 157 GLN : amide:sc= -0.343 K(o=-0.34,f=-2.6) USER MOD Single : A 159 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 60 1.483 -1.158 0.932 1.00 63.13 N ATOM 2 CA TRP A 60 2.174 -0.841 -0.313 1.00 73.34 C ATOM 3 C TRP A 60 2.503 -2.110 -1.091 1.00 63.43 C ATOM 4 O TRP A 60 3.254 -2.075 -2.066 1.00 64.23 O ATOM 5 CB TRP A 60 3.455 -0.058 -0.025 1.00 3.22 C ATOM 6 CG TRP A 60 4.113 -0.448 1.264 1.00 32.41 C ATOM 7 CD1 TRP A 60 4.152 0.281 2.418 1.00 31.22 C ATOM 8 CD2 TRP A 60 4.827 -1.661 1.529 1.00 52.11 C ATOM 9 NE1 TRP A 60 4.847 -0.405 3.384 1.00 24.34 N ATOM 10 CE2 TRP A 60 5.271 -1.600 2.864 1.00 10.43 C ATOM 11 CE3 TRP A 60 5.132 -2.793 0.769 1.00 43.01 C ATOM 12 CZ2 TRP A 60 6.004 -2.627 3.452 1.00 5.43 C ATOM 13 CZ3 TRP A 60 5.861 -3.811 1.354 1.00 73.32 C ATOM 14 CH2 TRP A 60 6.289 -3.723 2.685 1.00 65.21 C ATOM 0 HA TRP A 60 1.510 -0.226 -0.921 1.00 73.34 H new ATOM 0 HB2 TRP A 60 4.158 -0.211 -0.844 1.00 3.22 H new ATOM 0 HB3 TRP A 60 3.223 1.007 0.001 1.00 3.22 H new ATOM 0 HD1 TRP A 60 3.702 1.254 2.552 1.00 31.22 H new ATOM 0 HE1 TRP A 60 5.020 -0.078 4.335 1.00 24.34 H new ATOM 0 HE3 TRP A 60 4.804 -2.871 -0.257 1.00 43.01 H new ATOM 0 HZ2 TRP A 60 6.336 -2.561 4.478 1.00 5.43 H new ATOM 0 HZ3 TRP A 60 6.105 -4.689 0.775 1.00 73.32 H new ATOM 0 HH2 TRP A 60 6.855 -4.537 3.114 1.00 65.21 H new ATOM 25 N PHE A 61 1.937 -3.231 -0.655 1.00 3.32 N ATOM 26 CA PHE A 61 2.172 -4.512 -1.311 1.00 2.24 C ATOM 27 C PHE A 61 0.988 -4.897 -2.192 1.00 34.01 C ATOM 28 O PHE A 61 -0.152 -4.517 -1.921 1.00 3.20 O ATOM 29 CB PHE A 61 2.423 -5.604 -0.269 1.00 5.34 C ATOM 30 CG PHE A 61 2.110 -6.987 -0.762 1.00 74.13 C ATOM 31 CD1 PHE A 61 2.791 -7.522 -1.843 1.00 61.53 C ATOM 32 CD2 PHE A 61 1.132 -7.752 -0.146 1.00 5.14 C ATOM 33 CE1 PHE A 61 2.505 -8.795 -2.300 1.00 20.41 C ATOM 34 CE2 PHE A 61 0.842 -9.025 -0.598 1.00 24.45 C ATOM 35 CZ PHE A 61 1.529 -9.547 -1.677 1.00 34.33 C ATOM 0 H PHE A 61 1.312 -3.278 0.150 1.00 3.32 H new ATOM 0 HA PHE A 61 3.055 -4.412 -1.942 1.00 2.24 H new ATOM 0 HB2 PHE A 61 3.467 -5.565 0.041 1.00 5.34 H new ATOM 0 HB3 PHE A 61 1.820 -5.397 0.615 1.00 5.34 H new ATOM 0 HD1 PHE A 61 3.555 -6.938 -2.335 1.00 61.53 H new ATOM 0 HD2 PHE A 61 0.591 -7.348 0.697 1.00 5.14 H new ATOM 0 HE1 PHE A 61 3.044 -9.201 -3.143 1.00 20.41 H new ATOM 0 HE2 PHE A 61 0.079 -9.612 -0.108 1.00 24.45 H new ATOM 0 HZ PHE A 61 1.303 -10.541 -2.032 1.00 34.33 H new ATOM 45 N PHE A 62 1.265 -5.654 -3.248 1.00 42.34 N ATOM 46 CA PHE A 62 0.224 -6.090 -4.171 1.00 52.24 C ATOM 47 C PHE A 62 0.413 -7.555 -4.552 1.00 32.45 C ATOM 48 O PHE A 62 1.512 -7.979 -4.907 1.00 74.14 O ATOM 49 CB PHE A 62 0.231 -5.220 -5.430 1.00 2.30 C ATOM 50 CG PHE A 62 -0.764 -4.095 -5.387 1.00 61.54 C ATOM 51 CD1 PHE A 62 -0.469 -2.916 -4.722 1.00 61.43 C ATOM 52 CD2 PHE A 62 -1.995 -4.218 -6.012 1.00 64.11 C ATOM 53 CE1 PHE A 62 -1.382 -1.880 -4.682 1.00 12.35 C ATOM 54 CE2 PHE A 62 -2.912 -3.185 -5.975 1.00 44.31 C ATOM 55 CZ PHE A 62 -2.606 -2.015 -5.308 1.00 4.40 C ATOM 0 H PHE A 62 2.202 -5.978 -3.486 1.00 42.34 H new ATOM 0 HA PHE A 62 -0.738 -5.984 -3.669 1.00 52.24 H new ATOM 0 HB2 PHE A 62 1.230 -4.806 -5.570 1.00 2.30 H new ATOM 0 HB3 PHE A 62 0.021 -5.847 -6.296 1.00 2.30 H new ATOM 0 HD1 PHE A 62 0.486 -2.806 -4.229 1.00 61.43 H new ATOM 0 HD2 PHE A 62 -2.240 -5.131 -6.534 1.00 64.11 H new ATOM 0 HE1 PHE A 62 -1.139 -0.965 -4.162 1.00 12.35 H new ATOM 0 HE2 PHE A 62 -3.867 -3.292 -6.467 1.00 44.31 H new ATOM 0 HZ PHE A 62 -3.322 -1.207 -5.276 1.00 4.40 H new ATOM 65 N GLY A 63 -0.668 -8.325 -4.472 1.00 73.54 N ATOM 66 CA GLY A 63 -0.601 -9.735 -4.810 1.00 73.21 C ATOM 67 C GLY A 63 -0.072 -9.971 -6.211 1.00 32.31 C ATOM 68 O GLY A 63 0.515 -9.077 -6.820 1.00 63.10 O ATOM 0 H GLY A 63 -1.589 -7.998 -4.179 1.00 73.54 H new ATOM 0 HA2 GLY A 63 0.039 -10.247 -4.092 1.00 73.21 H new ATOM 0 HA3 GLY A 63 -1.595 -10.174 -4.721 1.00 73.21 H new ATOM 72 N LYS A 64 -0.279 -11.180 -6.724 1.00 4.43 N ATOM 73 CA LYS A 64 0.182 -11.532 -8.061 1.00 72.44 C ATOM 74 C LYS A 64 -0.428 -10.606 -9.109 1.00 4.34 C ATOM 75 O LYS A 64 -1.561 -10.808 -9.545 1.00 13.30 O ATOM 76 CB LYS A 64 -0.177 -12.985 -8.380 1.00 73.50 C ATOM 77 CG LYS A 64 0.935 -13.970 -8.064 1.00 61.21 C ATOM 78 CD LYS A 64 1.123 -14.138 -6.566 1.00 12.54 C ATOM 79 CE LYS A 64 -0.176 -14.535 -5.882 1.00 74.51 C ATOM 80 NZ LYS A 64 0.055 -15.491 -4.763 1.00 43.53 N ATOM 0 H LYS A 64 -0.763 -11.932 -6.233 1.00 4.43 H new ATOM 0 HA LYS A 64 1.266 -11.417 -8.086 1.00 72.44 H new ATOM 0 HB2 LYS A 64 -1.068 -13.262 -7.816 1.00 73.50 H new ATOM 0 HB3 LYS A 64 -0.431 -13.064 -9.437 1.00 73.50 H new ATOM 0 HG2 LYS A 64 0.705 -14.936 -8.513 1.00 61.21 H new ATOM 0 HG3 LYS A 64 1.867 -13.624 -8.512 1.00 61.21 H new ATOM 0 HD2 LYS A 64 1.882 -14.897 -6.376 1.00 12.54 H new ATOM 0 HD3 LYS A 64 1.491 -13.206 -6.138 1.00 12.54 H new ATOM 0 HE2 LYS A 64 -0.673 -13.643 -5.501 1.00 74.51 H new ATOM 0 HE3 LYS A 64 -0.848 -14.986 -6.612 1.00 74.51 H new ATOM 0 HZ1 LYS A 64 -0.828 -15.619 -4.228 1.00 43.53 H new ATOM 0 HZ2 LYS A 64 0.363 -16.407 -5.147 1.00 43.53 H new ATOM 0 HZ3 LYS A 64 0.791 -15.115 -4.132 1.00 43.53 H new ATOM 94 N ILE A 65 0.332 -9.591 -9.508 1.00 72.31 N ATOM 95 CA ILE A 65 -0.133 -8.636 -10.506 1.00 34.01 C ATOM 96 C ILE A 65 0.882 -8.480 -11.633 1.00 31.00 C ATOM 97 O ILE A 65 2.089 -8.391 -11.407 1.00 31.41 O ATOM 98 CB ILE A 65 -0.405 -7.255 -9.880 1.00 21.31 C ATOM 99 CG1 ILE A 65 0.868 -6.705 -9.234 1.00 1.13 C ATOM 100 CG2 ILE A 65 -1.527 -7.349 -8.857 1.00 21.02 C ATOM 101 CD1 ILE A 65 1.221 -5.307 -9.690 1.00 5.30 C ATOM 0 H ILE A 65 1.272 -9.409 -9.155 1.00 72.31 H new ATOM 0 HA ILE A 65 -1.064 -9.032 -10.911 1.00 34.01 H new ATOM 0 HB ILE A 65 -0.716 -6.569 -10.668 1.00 21.31 H new ATOM 0 HG12 ILE A 65 0.745 -6.705 -8.151 1.00 1.13 H new ATOM 0 HG13 ILE A 65 1.699 -7.373 -9.461 1.00 1.13 H new ATOM 0 HG21 ILE A 65 -1.707 -6.365 -8.423 1.00 21.02 H new ATOM 0 HG22 ILE A 65 -2.435 -7.703 -9.345 1.00 21.02 H new ATOM 0 HG23 ILE A 65 -1.243 -8.046 -8.069 1.00 21.02 H new ATOM 0 HD11 ILE A 65 2.134 -4.981 -9.192 1.00 5.30 H new ATOM 0 HD12 ILE A 65 1.376 -5.304 -10.769 1.00 5.30 H new ATOM 0 HD13 ILE A 65 0.408 -4.626 -9.439 1.00 5.30 H new ATOM 113 N PRO A 66 0.383 -8.444 -12.878 1.00 3.44 N ATOM 114 CA PRO A 66 1.230 -8.296 -14.065 1.00 55.54 C ATOM 115 C PRO A 66 1.848 -6.905 -14.167 1.00 75.21 C ATOM 116 O PRO A 66 1.191 -5.902 -13.887 1.00 42.04 O ATOM 117 CB PRO A 66 0.259 -8.535 -15.225 1.00 20.44 C ATOM 118 CG PRO A 66 -1.079 -8.175 -14.679 1.00 35.23 C ATOM 119 CD PRO A 66 -1.045 -8.544 -13.221 1.00 52.32 C ATOM 0 HA PRO A 66 2.076 -8.983 -14.050 1.00 55.54 H new ATOM 0 HB2 PRO A 66 0.513 -7.919 -16.088 1.00 20.44 H new ATOM 0 HB3 PRO A 66 0.285 -9.573 -15.556 1.00 20.44 H new ATOM 0 HG2 PRO A 66 -1.280 -7.111 -14.808 1.00 35.23 H new ATOM 0 HG3 PRO A 66 -1.871 -8.714 -15.199 1.00 35.23 H new ATOM 0 HD2 PRO A 66 -1.651 -7.866 -12.620 1.00 52.32 H new ATOM 0 HD3 PRO A 66 -1.430 -9.550 -13.052 1.00 52.32 H new ATOM 127 N ARG A 67 3.113 -6.853 -14.570 1.00 21.35 N ATOM 128 CA ARG A 67 3.820 -5.585 -14.707 1.00 75.44 C ATOM 129 C ARG A 67 2.866 -4.476 -15.142 1.00 61.45 C ATOM 130 O ARG A 67 2.900 -3.369 -14.606 1.00 61.32 O ATOM 131 CB ARG A 67 4.959 -5.719 -15.719 1.00 72.44 C ATOM 132 CG ARG A 67 5.460 -7.145 -15.888 1.00 14.44 C ATOM 133 CD ARG A 67 6.675 -7.204 -16.799 1.00 44.01 C ATOM 134 NE ARG A 67 7.891 -6.764 -16.120 1.00 11.05 N ATOM 135 CZ ARG A 67 9.055 -6.590 -16.735 1.00 41.21 C ATOM 136 NH1 ARG A 67 9.161 -6.817 -18.037 1.00 53.32 N ATOM 137 NH2 ARG A 67 10.117 -6.187 -16.048 1.00 74.22 N ATOM 0 H ARG A 67 3.670 -7.674 -14.807 1.00 21.35 H new ATOM 0 HA ARG A 67 4.236 -5.322 -13.735 1.00 75.44 H new ATOM 0 HB2 ARG A 67 4.621 -5.345 -16.685 1.00 72.44 H new ATOM 0 HB3 ARG A 67 5.789 -5.086 -15.405 1.00 72.44 H new ATOM 0 HG2 ARG A 67 5.715 -7.560 -14.913 1.00 14.44 H new ATOM 0 HG3 ARG A 67 4.664 -7.765 -16.301 1.00 14.44 H new ATOM 0 HD2 ARG A 67 6.809 -8.224 -17.158 1.00 44.01 H new ATOM 0 HD3 ARG A 67 6.502 -6.578 -17.675 1.00 44.01 H new ATOM 0 HE ARG A 67 7.843 -6.580 -15.118 1.00 11.05 H new ATOM 0 HH11 ARG A 67 8.347 -7.126 -18.569 1.00 53.32 H new ATOM 0 HH12 ARG A 67 10.056 -6.683 -18.507 1.00 53.32 H new ATOM 0 HH21 ARG A 67 10.040 -6.011 -15.046 1.00 74.22 H new ATOM 0 HH22 ARG A 67 11.010 -6.054 -16.522 1.00 74.22 H new ATOM 151 N ALA A 68 2.017 -4.782 -16.118 1.00 42.13 N ATOM 152 CA ALA A 68 1.054 -3.812 -16.624 1.00 71.13 C ATOM 153 C ALA A 68 0.211 -3.234 -15.493 1.00 33.22 C ATOM 154 O ALA A 68 0.108 -2.017 -15.340 1.00 54.25 O ATOM 155 CB ALA A 68 0.161 -4.454 -17.676 1.00 31.45 C ATOM 0 H ALA A 68 1.977 -5.694 -16.574 1.00 42.13 H new ATOM 0 HA ALA A 68 1.608 -2.993 -17.084 1.00 71.13 H new ATOM 0 HB1 ALA A 68 -0.553 -3.718 -18.045 1.00 31.45 H new ATOM 0 HB2 ALA A 68 0.773 -4.812 -18.504 1.00 31.45 H new ATOM 0 HB3 ALA A 68 -0.377 -5.292 -17.234 1.00 31.45 H new ATOM 161 N LYS A 69 -0.392 -4.115 -14.701 1.00 50.31 N ATOM 162 CA LYS A 69 -1.226 -3.693 -13.582 1.00 55.13 C ATOM 163 C LYS A 69 -0.470 -2.731 -12.671 1.00 60.35 C ATOM 164 O LYS A 69 -0.985 -1.676 -12.303 1.00 44.25 O ATOM 165 CB LYS A 69 -1.694 -4.910 -12.781 1.00 11.12 C ATOM 166 CG LYS A 69 -3.012 -4.692 -12.058 1.00 30.31 C ATOM 167 CD LYS A 69 -4.187 -5.201 -12.876 1.00 13.32 C ATOM 168 CE LYS A 69 -5.489 -5.116 -12.093 1.00 61.33 C ATOM 169 NZ LYS A 69 -6.647 -4.801 -12.975 1.00 43.21 N ATOM 0 H LYS A 69 -0.318 -5.126 -14.814 1.00 50.31 H new ATOM 0 HA LYS A 69 -2.096 -3.175 -13.985 1.00 55.13 H new ATOM 0 HB2 LYS A 69 -1.795 -5.761 -13.455 1.00 11.12 H new ATOM 0 HB3 LYS A 69 -0.928 -5.171 -12.051 1.00 11.12 H new ATOM 0 HG2 LYS A 69 -2.989 -5.203 -11.095 1.00 30.31 H new ATOM 0 HG3 LYS A 69 -3.144 -3.630 -11.852 1.00 30.31 H new ATOM 0 HD2 LYS A 69 -4.274 -4.618 -13.793 1.00 13.32 H new ATOM 0 HD3 LYS A 69 -4.006 -6.234 -13.172 1.00 13.32 H new ATOM 0 HE2 LYS A 69 -5.668 -6.062 -11.582 1.00 61.33 H new ATOM 0 HE3 LYS A 69 -5.400 -4.350 -11.323 1.00 61.33 H new ATOM 0 HZ1 LYS A 69 -7.515 -4.752 -12.404 1.00 43.21 H new ATOM 0 HZ2 LYS A 69 -6.488 -3.886 -13.443 1.00 43.21 H new ATOM 0 HZ3 LYS A 69 -6.748 -5.545 -13.695 1.00 43.21 H new ATOM 183 N ALA A 70 0.755 -3.103 -12.313 1.00 14.02 N ATOM 184 CA ALA A 70 1.583 -2.272 -11.448 1.00 53.42 C ATOM 185 C ALA A 70 1.751 -0.872 -12.030 1.00 10.02 C ATOM 186 O ALA A 70 1.566 0.125 -11.333 1.00 52.32 O ATOM 187 CB ALA A 70 2.941 -2.923 -11.233 1.00 50.33 C ATOM 0 H ALA A 70 1.195 -3.974 -12.609 1.00 14.02 H new ATOM 0 HA ALA A 70 1.081 -2.179 -10.485 1.00 53.42 H new ATOM 0 HB1 ALA A 70 3.549 -2.291 -10.585 1.00 50.33 H new ATOM 0 HB2 ALA A 70 2.807 -3.899 -10.766 1.00 50.33 H new ATOM 0 HB3 ALA A 70 3.442 -3.046 -12.193 1.00 50.33 H new ATOM 193 N GLU A 71 2.104 -0.806 -13.310 1.00 33.41 N ATOM 194 CA GLU A 71 2.298 0.472 -13.983 1.00 42.24 C ATOM 195 C GLU A 71 1.045 1.337 -13.882 1.00 73.43 C ATOM 196 O GLU A 71 1.128 2.563 -13.823 1.00 32.22 O ATOM 197 CB GLU A 71 2.660 0.250 -15.453 1.00 65.32 C ATOM 198 CG GLU A 71 3.917 -0.582 -15.651 1.00 52.34 C ATOM 199 CD GLU A 71 3.950 -1.277 -16.998 1.00 75.44 C ATOM 200 OE1 GLU A 71 3.337 -0.752 -17.952 1.00 31.14 O ATOM 201 OE2 GLU A 71 4.587 -2.346 -17.099 1.00 70.34 O ATOM 0 H GLU A 71 2.261 -1.622 -13.901 1.00 33.41 H new ATOM 0 HA GLU A 71 3.118 0.992 -13.488 1.00 42.24 H new ATOM 0 HB2 GLU A 71 1.826 -0.242 -15.954 1.00 65.32 H new ATOM 0 HB3 GLU A 71 2.795 1.218 -15.935 1.00 65.32 H new ATOM 0 HG2 GLU A 71 4.792 0.061 -15.556 1.00 52.34 H new ATOM 0 HG3 GLU A 71 3.983 -1.328 -14.859 1.00 52.34 H new ATOM 208 N GLU A 72 -0.115 0.687 -13.864 1.00 51.12 N ATOM 209 CA GLU A 72 -1.386 1.397 -13.772 1.00 23.51 C ATOM 210 C GLU A 72 -1.629 1.894 -12.350 1.00 50.10 C ATOM 211 O GLU A 72 -2.049 3.032 -12.143 1.00 34.01 O ATOM 212 CB GLU A 72 -2.536 0.487 -14.210 1.00 2.23 C ATOM 213 CG GLU A 72 -2.586 0.248 -15.709 1.00 40.44 C ATOM 214 CD GLU A 72 -2.899 1.510 -16.491 1.00 31.42 C ATOM 215 OE1 GLU A 72 -3.847 2.225 -16.105 1.00 52.45 O ATOM 216 OE2 GLU A 72 -2.197 1.781 -17.487 1.00 61.41 O ATOM 0 H GLU A 72 -0.201 -0.328 -13.912 1.00 51.12 H new ATOM 0 HA GLU A 72 -1.341 2.259 -14.437 1.00 23.51 H new ATOM 0 HB2 GLU A 72 -2.443 -0.472 -13.701 1.00 2.23 H new ATOM 0 HB3 GLU A 72 -3.480 0.928 -13.889 1.00 2.23 H new ATOM 0 HG2 GLU A 72 -1.628 -0.153 -16.041 1.00 40.44 H new ATOM 0 HG3 GLU A 72 -3.341 -0.507 -15.928 1.00 40.44 H new ATOM 223 N MET A 73 -1.362 1.032 -11.374 1.00 50.31 N ATOM 224 CA MET A 73 -1.551 1.384 -9.972 1.00 13.14 C ATOM 225 C MET A 73 -0.773 2.648 -9.618 1.00 74.23 C ATOM 226 O MET A 73 -1.203 3.438 -8.777 1.00 4.32 O ATOM 227 CB MET A 73 -1.109 0.230 -9.070 1.00 2.00 C ATOM 228 CG MET A 73 -1.968 -1.016 -9.212 1.00 64.13 C ATOM 229 SD MET A 73 -3.731 -0.664 -9.073 1.00 65.24 S ATOM 230 CE MET A 73 -4.188 -0.538 -10.801 1.00 4.54 C ATOM 0 H MET A 73 -1.014 0.086 -11.528 1.00 50.31 H new ATOM 0 HA MET A 73 -2.612 1.575 -9.812 1.00 13.14 H new ATOM 0 HB2 MET A 73 -0.074 -0.024 -9.300 1.00 2.00 H new ATOM 0 HB3 MET A 73 -1.133 0.561 -8.032 1.00 2.00 H new ATOM 0 HG2 MET A 73 -1.769 -1.481 -10.177 1.00 64.13 H new ATOM 0 HG3 MET A 73 -1.684 -1.738 -8.446 1.00 64.13 H new ATOM 0 HE1 MET A 73 -5.259 -0.713 -10.908 1.00 4.54 H new ATOM 0 HE2 MET A 73 -3.945 0.458 -11.170 1.00 4.54 H new ATOM 0 HE3 MET A 73 -3.639 -1.282 -11.378 1.00 4.54 H new ATOM 240 N LEU A 74 0.372 2.832 -10.265 1.00 50.34 N ATOM 241 CA LEU A 74 1.210 4.001 -10.019 1.00 62.42 C ATOM 242 C LEU A 74 0.812 5.158 -10.929 1.00 41.03 C ATOM 243 O LEU A 74 0.706 6.301 -10.486 1.00 5.51 O ATOM 244 CB LEU A 74 2.684 3.650 -10.235 1.00 55.33 C ATOM 245 CG LEU A 74 3.141 2.302 -9.679 1.00 24.30 C ATOM 246 CD1 LEU A 74 4.395 1.826 -10.397 1.00 75.42 C ATOM 247 CD2 LEU A 74 3.388 2.399 -8.180 1.00 72.24 C ATOM 0 H LEU A 74 0.742 2.187 -10.964 1.00 50.34 H new ATOM 0 HA LEU A 74 1.064 4.311 -8.984 1.00 62.42 H new ATOM 0 HB2 LEU A 74 2.888 3.667 -11.306 1.00 55.33 H new ATOM 0 HB3 LEU A 74 3.293 4.432 -9.782 1.00 55.33 H new ATOM 0 HG LEU A 74 2.349 1.573 -9.851 1.00 24.30 H new ATOM 0 HD11 LEU A 74 4.706 0.865 -9.988 1.00 75.42 H new ATOM 0 HD12 LEU A 74 4.186 1.717 -11.461 1.00 75.42 H new ATOM 0 HD13 LEU A 74 5.193 2.555 -10.257 1.00 75.42 H new ATOM 0 HD21 LEU A 74 3.713 1.430 -7.801 1.00 72.24 H new ATOM 0 HD22 LEU A 74 4.162 3.142 -7.986 1.00 72.24 H new ATOM 0 HD23 LEU A 74 2.467 2.695 -7.678 1.00 72.24 H new ATOM 259 N SER A 75 0.590 4.853 -12.204 1.00 23.32 N ATOM 260 CA SER A 75 0.205 5.868 -13.177 1.00 60.21 C ATOM 261 C SER A 75 -1.045 6.612 -12.719 1.00 54.53 C ATOM 262 O SER A 75 -1.152 7.829 -12.879 1.00 22.33 O ATOM 263 CB SER A 75 -0.041 5.227 -14.544 1.00 73.51 C ATOM 264 OG SER A 75 -0.328 6.209 -15.524 1.00 41.12 O ATOM 0 H SER A 75 0.670 3.911 -12.587 1.00 23.32 H new ATOM 0 HA SER A 75 1.022 6.584 -13.262 1.00 60.21 H new ATOM 0 HB2 SER A 75 0.837 4.655 -14.844 1.00 73.51 H new ATOM 0 HB3 SER A 75 -0.871 4.524 -14.475 1.00 73.51 H new ATOM 0 HG SER A 75 -0.480 5.774 -16.389 1.00 41.12 H new ATOM 270 N LYS A 76 -1.991 5.873 -12.149 1.00 40.32 N ATOM 271 CA LYS A 76 -3.235 6.461 -11.666 1.00 61.11 C ATOM 272 C LYS A 76 -2.964 7.475 -10.559 1.00 62.13 C ATOM 273 O LYS A 76 -3.772 8.370 -10.315 1.00 1.22 O ATOM 274 CB LYS A 76 -4.174 5.367 -11.152 1.00 5.25 C ATOM 275 CG LYS A 76 -3.730 4.756 -9.834 1.00 34.24 C ATOM 276 CD LYS A 76 -4.884 4.071 -9.121 1.00 13.25 C ATOM 277 CE LYS A 76 -5.120 2.669 -9.660 1.00 62.22 C ATOM 278 NZ LYS A 76 -6.541 2.456 -10.051 1.00 42.34 N ATOM 0 H LYS A 76 -1.920 4.865 -12.010 1.00 40.32 H new ATOM 0 HA LYS A 76 -3.711 6.978 -12.499 1.00 61.11 H new ATOM 0 HB2 LYS A 76 -5.173 5.785 -11.031 1.00 5.25 H new ATOM 0 HB3 LYS A 76 -4.246 4.580 -11.902 1.00 5.25 H new ATOM 0 HG2 LYS A 76 -2.934 4.034 -10.016 1.00 34.24 H new ATOM 0 HG3 LYS A 76 -3.315 5.534 -9.193 1.00 34.24 H new ATOM 0 HD2 LYS A 76 -4.674 4.020 -8.053 1.00 13.25 H new ATOM 0 HD3 LYS A 76 -5.790 4.665 -9.240 1.00 13.25 H new ATOM 0 HE2 LYS A 76 -4.477 2.499 -10.523 1.00 62.22 H new ATOM 0 HE3 LYS A 76 -4.838 1.937 -8.903 1.00 62.22 H new ATOM 0 HZ1 LYS A 76 -6.660 1.488 -10.413 1.00 42.34 H new ATOM 0 HZ2 LYS A 76 -7.154 2.593 -9.222 1.00 42.34 H new ATOM 0 HZ3 LYS A 76 -6.803 3.138 -10.792 1.00 42.34 H new ATOM 292 N GLN A 77 -1.822 7.328 -9.895 1.00 42.33 N ATOM 293 CA GLN A 77 -1.445 8.233 -8.815 1.00 71.43 C ATOM 294 C GLN A 77 -1.214 9.645 -9.343 1.00 71.34 C ATOM 295 O GLN A 77 -1.064 9.851 -10.548 1.00 22.52 O ATOM 296 CB GLN A 77 -0.184 7.725 -8.113 1.00 53.33 C ATOM 297 CG GLN A 77 -0.275 6.272 -7.676 1.00 5.33 C ATOM 298 CD GLN A 77 -1.224 6.071 -6.511 1.00 40.50 C ATOM 299 OE1 GLN A 77 -1.575 7.021 -5.810 1.00 40.33 O ATOM 300 NE2 GLN A 77 -1.646 4.831 -6.298 1.00 23.51 N ATOM 0 H GLN A 77 -1.142 6.592 -10.085 1.00 42.33 H new ATOM 0 HA GLN A 77 -2.265 8.263 -8.097 1.00 71.43 H new ATOM 0 HB2 GLN A 77 0.667 7.841 -8.784 1.00 53.33 H new ATOM 0 HB3 GLN A 77 0.011 8.347 -7.239 1.00 53.33 H new ATOM 0 HG2 GLN A 77 -0.605 5.663 -8.518 1.00 5.33 H new ATOM 0 HG3 GLN A 77 0.717 5.918 -7.397 1.00 5.33 H new ATOM 0 HE21 GLN A 77 -1.330 4.074 -6.904 1.00 23.51 H new ATOM 0 HE22 GLN A 77 -2.287 4.635 -5.529 1.00 23.51 H new ATOM 309 N ARG A 78 -1.187 10.614 -8.435 1.00 34.15 N ATOM 310 CA ARG A 78 -0.976 12.007 -8.809 1.00 74.02 C ATOM 311 C ARG A 78 0.454 12.442 -8.503 1.00 71.30 C ATOM 312 O ARG A 78 1.024 13.277 -9.206 1.00 10.14 O ATOM 313 CB ARG A 78 -1.965 12.911 -8.071 1.00 2.33 C ATOM 314 CG ARG A 78 -3.357 12.316 -7.944 1.00 35.12 C ATOM 315 CD ARG A 78 -4.140 12.448 -9.241 1.00 12.11 C ATOM 316 NE ARG A 78 -5.540 12.792 -9.003 1.00 65.21 N ATOM 317 CZ ARG A 78 -6.406 13.056 -9.974 1.00 55.32 C ATOM 318 NH1 ARG A 78 -6.020 13.016 -11.242 1.00 3.43 N ATOM 319 NH2 ARG A 78 -7.664 13.361 -9.678 1.00 45.21 N ATOM 0 H ARG A 78 -1.309 10.460 -7.434 1.00 34.15 H new ATOM 0 HA ARG A 78 -1.143 12.098 -9.882 1.00 74.02 H new ATOM 0 HB2 ARG A 78 -1.577 13.122 -7.074 1.00 2.33 H new ATOM 0 HB3 ARG A 78 -2.033 13.864 -8.595 1.00 2.33 H new ATOM 0 HG2 ARG A 78 -3.280 11.264 -7.669 1.00 35.12 H new ATOM 0 HG3 ARG A 78 -3.896 12.817 -7.140 1.00 35.12 H new ATOM 0 HD2 ARG A 78 -3.680 13.213 -9.866 1.00 12.11 H new ATOM 0 HD3 ARG A 78 -4.086 11.510 -9.794 1.00 12.11 H new ATOM 0 HE ARG A 78 -5.870 12.831 -8.039 1.00 65.21 H new ATOM 0 HH11 ARG A 78 -5.055 12.782 -11.474 1.00 3.43 H new ATOM 0 HH12 ARG A 78 -6.688 13.219 -11.985 1.00 3.43 H new ATOM 0 HH21 ARG A 78 -7.965 13.393 -8.704 1.00 45.21 H new ATOM 0 HH22 ARG A 78 -8.329 13.564 -10.425 1.00 45.21 H new ATOM 333 N HIS A 79 1.028 11.870 -7.449 1.00 61.44 N ATOM 334 CA HIS A 79 2.392 12.198 -7.050 1.00 30.20 C ATOM 335 C HIS A 79 3.399 11.658 -8.061 1.00 50.32 C ATOM 336 O HIS A 79 3.023 11.178 -9.131 1.00 11.42 O ATOM 337 CB HIS A 79 2.690 11.629 -5.662 1.00 44.15 C ATOM 338 CG HIS A 79 1.466 11.416 -4.826 1.00 41.24 C ATOM 339 ND1 HIS A 79 1.336 10.373 -3.934 1.00 60.34 N ATOM 340 CD2 HIS A 79 0.313 12.121 -4.749 1.00 42.21 C ATOM 341 CE1 HIS A 79 0.155 10.444 -3.346 1.00 5.11 C ATOM 342 NE2 HIS A 79 -0.485 11.497 -3.822 1.00 63.43 N ATOM 0 H HIS A 79 0.570 11.178 -6.856 1.00 61.44 H new ATOM 0 HA HIS A 79 2.484 13.284 -7.017 1.00 30.20 H new ATOM 0 HB2 HIS A 79 3.214 10.680 -5.773 1.00 44.15 H new ATOM 0 HB3 HIS A 79 3.364 12.306 -5.138 1.00 44.15 H new ATOM 0 HD2 HIS A 79 0.067 13.009 -5.312 1.00 42.21 H new ATOM 0 HE1 HIS A 79 -0.223 9.758 -2.603 1.00 5.11 H new ATOM 0 HE2 HIS A 79 -1.420 11.798 -3.546 1.00 63.43 H new ATOM 350 N ASP A 80 4.679 11.741 -7.716 1.00 0.30 N ATOM 351 CA ASP A 80 5.740 11.261 -8.593 1.00 43.24 C ATOM 352 C ASP A 80 6.725 10.384 -7.826 1.00 12.41 C ATOM 353 O ASP A 80 7.367 10.836 -6.879 1.00 15.44 O ATOM 354 CB ASP A 80 6.477 12.440 -9.230 1.00 44.50 C ATOM 355 CG ASP A 80 5.553 13.336 -10.031 1.00 45.33 C ATOM 356 OD1 ASP A 80 5.245 12.986 -11.190 1.00 51.40 O ATOM 357 OD2 ASP A 80 5.138 14.387 -9.500 1.00 22.14 O ATOM 0 H ASP A 80 5.007 12.136 -6.835 1.00 0.30 H new ATOM 0 HA ASP A 80 5.283 10.660 -9.379 1.00 43.24 H new ATOM 0 HB2 ASP A 80 6.961 13.027 -8.449 1.00 44.50 H new ATOM 0 HB3 ASP A 80 7.266 12.063 -9.880 1.00 44.50 H new ATOM 362 N GLY A 81 6.838 9.126 -8.242 1.00 11.44 N ATOM 363 CA GLY A 81 7.745 8.206 -7.582 1.00 30.35 C ATOM 364 C GLY A 81 7.015 7.163 -6.758 1.00 42.20 C ATOM 365 O GLY A 81 7.557 6.640 -5.785 1.00 3.21 O ATOM 0 H GLY A 81 6.318 8.728 -9.024 1.00 11.44 H new ATOM 0 HA2 GLY A 81 8.360 7.707 -8.331 1.00 30.35 H new ATOM 0 HA3 GLY A 81 8.421 8.767 -6.936 1.00 30.35 H new ATOM 369 N ALA A 82 5.781 6.861 -7.148 1.00 11.44 N ATOM 370 CA ALA A 82 4.976 5.874 -6.439 1.00 11.43 C ATOM 371 C ALA A 82 5.664 4.513 -6.424 1.00 15.40 C ATOM 372 O ALA A 82 6.086 4.009 -7.464 1.00 44.05 O ATOM 373 CB ALA A 82 3.597 5.764 -7.072 1.00 40.54 C ATOM 0 H ALA A 82 5.317 7.286 -7.951 1.00 11.44 H new ATOM 0 HA ALA A 82 4.864 6.207 -5.407 1.00 11.43 H new ATOM 0 HB1 ALA A 82 3.007 5.023 -6.532 1.00 40.54 H new ATOM 0 HB2 ALA A 82 3.097 6.731 -7.025 1.00 40.54 H new ATOM 0 HB3 ALA A 82 3.698 5.459 -8.113 1.00 40.54 H new ATOM 379 N PHE A 83 5.773 3.924 -5.238 1.00 73.31 N ATOM 380 CA PHE A 83 6.411 2.621 -5.088 1.00 11.11 C ATOM 381 C PHE A 83 5.378 1.543 -4.774 1.00 24.53 C ATOM 382 O PHE A 83 4.465 1.755 -3.975 1.00 50.00 O ATOM 383 CB PHE A 83 7.466 2.671 -3.981 1.00 10.11 C ATOM 384 CG PHE A 83 6.919 2.358 -2.617 1.00 43.33 C ATOM 385 CD1 PHE A 83 6.078 3.251 -1.972 1.00 63.22 C ATOM 386 CD2 PHE A 83 7.246 1.172 -1.981 1.00 31.21 C ATOM 387 CE1 PHE A 83 5.575 2.966 -0.717 1.00 74.32 C ATOM 388 CE2 PHE A 83 6.745 0.881 -0.726 1.00 11.01 C ATOM 389 CZ PHE A 83 5.907 1.779 -0.094 1.00 23.13 C ATOM 0 H PHE A 83 5.428 4.328 -4.367 1.00 73.31 H new ATOM 0 HA PHE A 83 6.896 2.370 -6.031 1.00 11.11 H new ATOM 0 HB2 PHE A 83 8.261 1.964 -4.216 1.00 10.11 H new ATOM 0 HB3 PHE A 83 7.917 3.663 -3.964 1.00 10.11 H new ATOM 0 HD1 PHE A 83 5.813 4.180 -2.455 1.00 63.22 H new ATOM 0 HD2 PHE A 83 7.900 0.466 -2.471 1.00 31.21 H new ATOM 0 HE1 PHE A 83 4.923 3.671 -0.224 1.00 74.32 H new ATOM 0 HE2 PHE A 83 7.008 -0.047 -0.240 1.00 11.01 H new ATOM 0 HZ PHE A 83 5.512 1.553 0.886 1.00 23.13 H new ATOM 399 N LEU A 84 5.530 0.385 -5.408 1.00 35.15 N ATOM 400 CA LEU A 84 4.611 -0.728 -5.197 1.00 75.30 C ATOM 401 C LEU A 84 5.330 -2.065 -5.349 1.00 41.41 C ATOM 402 O LEU A 84 5.866 -2.374 -6.414 1.00 21.44 O ATOM 403 CB LEU A 84 3.446 -0.648 -6.185 1.00 51.24 C ATOM 404 CG LEU A 84 2.667 -1.944 -6.412 1.00 63.24 C ATOM 405 CD1 LEU A 84 1.194 -1.648 -6.645 1.00 32.22 C ATOM 406 CD2 LEU A 84 3.250 -2.717 -7.587 1.00 34.44 C ATOM 0 H LEU A 84 6.280 0.193 -6.072 1.00 35.15 H new ATOM 0 HA LEU A 84 4.223 -0.658 -4.181 1.00 75.30 H new ATOM 0 HB2 LEU A 84 2.750 0.114 -5.834 1.00 51.24 H new ATOM 0 HB3 LEU A 84 3.833 -0.308 -7.145 1.00 51.24 H new ATOM 0 HG LEU A 84 2.755 -2.560 -5.517 1.00 63.24 H new ATOM 0 HD11 LEU A 84 0.656 -2.582 -6.805 1.00 32.22 H new ATOM 0 HD12 LEU A 84 0.783 -1.137 -5.774 1.00 32.22 H new ATOM 0 HD13 LEU A 84 1.085 -1.012 -7.524 1.00 32.22 H new ATOM 0 HD21 LEU A 84 2.684 -3.637 -7.735 1.00 34.44 H new ATOM 0 HD22 LEU A 84 3.192 -2.107 -8.488 1.00 34.44 H new ATOM 0 HD23 LEU A 84 4.292 -2.962 -7.380 1.00 34.44 H new ATOM 418 N ILE A 85 5.336 -2.853 -4.279 1.00 51.43 N ATOM 419 CA ILE A 85 5.986 -4.157 -4.295 1.00 45.15 C ATOM 420 C ILE A 85 4.981 -5.269 -4.572 1.00 71.41 C ATOM 421 O ILE A 85 3.981 -5.405 -3.867 1.00 73.32 O ATOM 422 CB ILE A 85 6.701 -4.446 -2.962 1.00 62.12 C ATOM 423 CG1 ILE A 85 7.764 -3.381 -2.687 1.00 3.32 C ATOM 424 CG2 ILE A 85 7.327 -5.833 -2.987 1.00 12.34 C ATOM 425 CD1 ILE A 85 8.543 -3.619 -1.412 1.00 72.41 C ATOM 0 H ILE A 85 4.898 -2.611 -3.390 1.00 51.43 H new ATOM 0 HA ILE A 85 6.725 -4.131 -5.096 1.00 45.15 H new ATOM 0 HB ILE A 85 5.966 -4.415 -2.158 1.00 62.12 H new ATOM 0 HG12 ILE A 85 8.458 -3.347 -3.526 1.00 3.32 H new ATOM 0 HG13 ILE A 85 7.283 -2.405 -2.632 1.00 3.32 H new ATOM 0 HG21 ILE A 85 7.829 -6.023 -2.038 1.00 12.34 H new ATOM 0 HG22 ILE A 85 6.549 -6.581 -3.142 1.00 12.34 H new ATOM 0 HG23 ILE A 85 8.052 -5.890 -3.799 1.00 12.34 H new ATOM 0 HD11 ILE A 85 9.279 -2.825 -1.282 1.00 72.41 H new ATOM 0 HD12 ILE A 85 7.859 -3.623 -0.563 1.00 72.41 H new ATOM 0 HD13 ILE A 85 9.053 -4.580 -1.471 1.00 72.41 H new ATOM 437 N ARG A 86 5.254 -6.064 -5.602 1.00 22.14 N ATOM 438 CA ARG A 86 4.374 -7.166 -5.971 1.00 52.22 C ATOM 439 C ARG A 86 5.071 -8.509 -5.774 1.00 1.30 C ATOM 440 O ARG A 86 6.293 -8.605 -5.877 1.00 5.55 O ATOM 441 CB ARG A 86 3.924 -7.021 -7.426 1.00 62.43 C ATOM 442 CG ARG A 86 4.967 -7.476 -8.434 1.00 44.30 C ATOM 443 CD ARG A 86 4.914 -6.642 -9.705 1.00 23.40 C ATOM 444 NE ARG A 86 6.128 -5.852 -9.893 1.00 22.44 N ATOM 445 CZ ARG A 86 6.554 -5.429 -11.078 1.00 33.14 C ATOM 446 NH1 ARG A 86 5.867 -5.718 -12.174 1.00 71.23 N ATOM 447 NH2 ARG A 86 7.668 -4.715 -11.167 1.00 42.53 N ATOM 0 H ARG A 86 6.078 -5.965 -6.195 1.00 22.14 H new ATOM 0 HA ARG A 86 3.499 -7.132 -5.322 1.00 52.22 H new ATOM 0 HB2 ARG A 86 3.011 -7.598 -7.574 1.00 62.43 H new ATOM 0 HB3 ARG A 86 3.676 -5.977 -7.619 1.00 62.43 H new ATOM 0 HG2 ARG A 86 5.960 -7.402 -7.990 1.00 44.30 H new ATOM 0 HG3 ARG A 86 4.804 -8.526 -8.679 1.00 44.30 H new ATOM 0 HD2 ARG A 86 4.772 -7.298 -10.564 1.00 23.40 H new ATOM 0 HD3 ARG A 86 4.051 -5.977 -9.666 1.00 23.40 H new ATOM 0 HE ARG A 86 6.679 -5.612 -9.069 1.00 22.44 H new ATOM 0 HH11 ARG A 86 5.009 -6.266 -12.109 1.00 71.23 H new ATOM 0 HH12 ARG A 86 6.196 -5.392 -13.083 1.00 71.23 H new ATOM 0 HH21 ARG A 86 8.198 -4.490 -10.325 1.00 42.53 H new ATOM 0 HH22 ARG A 86 7.994 -4.391 -12.077 1.00 42.53 H new ATOM 461 N GLU A 87 4.284 -9.542 -5.490 1.00 25.10 N ATOM 462 CA GLU A 87 4.827 -10.879 -5.277 1.00 44.41 C ATOM 463 C GLU A 87 4.714 -11.720 -6.545 1.00 32.31 C ATOM 464 O GLU A 87 3.770 -11.570 -7.320 1.00 53.43 O ATOM 465 CB GLU A 87 4.098 -11.572 -4.125 1.00 11.15 C ATOM 466 CG GLU A 87 4.608 -12.974 -3.837 1.00 73.24 C ATOM 467 CD GLU A 87 3.495 -14.004 -3.803 1.00 11.32 C ATOM 468 OE1 GLU A 87 2.362 -13.641 -3.424 1.00 31.13 O ATOM 469 OE2 GLU A 87 3.758 -15.173 -4.155 1.00 51.35 O ATOM 0 H GLU A 87 3.270 -9.479 -5.402 1.00 25.10 H new ATOM 0 HA GLU A 87 5.882 -10.779 -5.021 1.00 44.41 H new ATOM 0 HB2 GLU A 87 4.200 -10.966 -3.225 1.00 11.15 H new ATOM 0 HB3 GLU A 87 3.034 -11.622 -4.357 1.00 11.15 H new ATOM 0 HG2 GLU A 87 5.335 -13.256 -4.598 1.00 73.24 H new ATOM 0 HG3 GLU A 87 5.130 -12.977 -2.880 1.00 73.24 H new ATOM 476 N SER A 88 5.683 -12.606 -6.749 1.00 25.32 N ATOM 477 CA SER A 88 5.696 -13.469 -7.924 1.00 73.22 C ATOM 478 C SER A 88 4.576 -14.503 -7.851 1.00 23.35 C ATOM 479 O SER A 88 4.021 -14.756 -6.782 1.00 73.32 O ATOM 480 CB SER A 88 7.048 -14.173 -8.052 1.00 70.12 C ATOM 481 OG SER A 88 8.089 -13.240 -8.283 1.00 51.34 O ATOM 0 H SER A 88 6.470 -12.745 -6.115 1.00 25.32 H new ATOM 0 HA SER A 88 5.535 -12.846 -8.804 1.00 73.22 H new ATOM 0 HB2 SER A 88 7.256 -14.736 -7.142 1.00 70.12 H new ATOM 0 HB3 SER A 88 7.011 -14.892 -8.871 1.00 70.12 H new ATOM 0 HG SER A 88 8.943 -13.715 -8.359 1.00 51.34 H new ATOM 487 N GLU A 89 4.251 -15.097 -8.995 1.00 25.23 N ATOM 488 CA GLU A 89 3.198 -16.103 -9.060 1.00 71.12 C ATOM 489 C GLU A 89 3.752 -17.492 -8.757 1.00 22.14 C ATOM 490 O GLU A 89 3.318 -18.153 -7.813 1.00 40.31 O ATOM 491 CB GLU A 89 2.540 -16.095 -10.442 1.00 31.34 C ATOM 492 CG GLU A 89 2.459 -14.714 -11.070 1.00 23.14 C ATOM 493 CD GLU A 89 1.103 -14.431 -11.685 1.00 35.40 C ATOM 494 OE1 GLU A 89 0.561 -15.329 -12.364 1.00 42.12 O ATOM 495 OE2 GLU A 89 0.582 -13.314 -11.488 1.00 3.51 O ATOM 0 H GLU A 89 4.701 -14.899 -9.888 1.00 25.23 H new ATOM 0 HA GLU A 89 2.449 -15.857 -8.307 1.00 71.12 H new ATOM 0 HB2 GLU A 89 3.100 -16.754 -11.105 1.00 31.34 H new ATOM 0 HB3 GLU A 89 1.534 -16.506 -10.358 1.00 31.34 H new ATOM 0 HG2 GLU A 89 2.674 -13.961 -10.312 1.00 23.14 H new ATOM 0 HG3 GLU A 89 3.228 -14.622 -11.837 1.00 23.14 H new ATOM 502 N SER A 90 4.714 -17.929 -9.564 1.00 13.51 N ATOM 503 CA SER A 90 5.325 -19.240 -9.385 1.00 70.32 C ATOM 504 C SER A 90 6.667 -19.121 -8.669 1.00 32.40 C ATOM 505 O SER A 90 7.560 -19.946 -8.860 1.00 32.32 O ATOM 506 CB SER A 90 5.516 -19.926 -10.739 1.00 71.24 C ATOM 507 OG SER A 90 4.390 -20.719 -11.073 1.00 14.12 O ATOM 0 H SER A 90 5.087 -17.394 -10.348 1.00 13.51 H new ATOM 0 HA SER A 90 4.657 -19.844 -8.770 1.00 70.32 H new ATOM 0 HB2 SER A 90 5.677 -19.174 -11.512 1.00 71.24 H new ATOM 0 HB3 SER A 90 6.409 -20.550 -10.711 1.00 71.24 H new ATOM 0 HG SER A 90 4.537 -21.145 -11.943 1.00 14.12 H new ATOM 513 N ALA A 91 6.800 -18.088 -7.844 1.00 23.33 N ATOM 514 CA ALA A 91 8.031 -17.861 -7.097 1.00 23.21 C ATOM 515 C ALA A 91 7.734 -17.365 -5.686 1.00 31.10 C ATOM 516 O ALA A 91 7.756 -16.166 -5.406 1.00 20.30 O ATOM 517 CB ALA A 91 8.919 -16.868 -7.832 1.00 12.52 C ATOM 0 H ALA A 91 6.071 -17.395 -7.676 1.00 23.33 H new ATOM 0 HA ALA A 91 8.558 -18.812 -7.016 1.00 23.21 H new ATOM 0 HB1 ALA A 91 9.835 -16.708 -7.263 1.00 12.52 H new ATOM 0 HB2 ALA A 91 9.168 -17.263 -8.817 1.00 12.52 H new ATOM 0 HB3 ALA A 91 8.391 -15.921 -7.944 1.00 12.52 H new ATOM 523 N PRO A 92 7.448 -18.307 -4.775 1.00 12.23 N ATOM 524 CA PRO A 92 7.140 -17.989 -3.377 1.00 41.52 C ATOM 525 C PRO A 92 8.361 -17.483 -2.616 1.00 34.15 C ATOM 526 O PRO A 92 9.443 -18.062 -2.704 1.00 12.54 O ATOM 527 CB PRO A 92 6.669 -19.327 -2.804 1.00 73.31 C ATOM 528 CG PRO A 92 7.318 -20.357 -3.663 1.00 1.20 C ATOM 529 CD PRO A 92 7.403 -19.755 -5.038 1.00 43.13 C ATOM 0 HA PRO A 92 6.402 -17.191 -3.293 1.00 41.52 H new ATOM 0 HB2 PRO A 92 6.966 -19.437 -1.761 1.00 73.31 H new ATOM 0 HB3 PRO A 92 5.583 -19.411 -2.837 1.00 73.31 H new ATOM 0 HG2 PRO A 92 8.309 -20.611 -3.286 1.00 1.20 H new ATOM 0 HG3 PRO A 92 6.735 -21.278 -3.676 1.00 1.20 H new ATOM 0 HD2 PRO A 92 8.291 -20.094 -5.571 1.00 43.13 H new ATOM 0 HD3 PRO A 92 6.542 -20.026 -5.649 1.00 43.13 H new ATOM 537 N GLY A 93 8.178 -16.400 -1.867 1.00 5.53 N ATOM 538 CA GLY A 93 9.274 -15.835 -1.100 1.00 53.00 C ATOM 539 C GLY A 93 10.057 -14.800 -1.884 1.00 21.55 C ATOM 540 O GLY A 93 11.053 -14.266 -1.396 1.00 11.43 O ATOM 0 H GLY A 93 7.291 -15.904 -1.777 1.00 5.53 H new ATOM 0 HA2 GLY A 93 8.880 -15.377 -0.192 1.00 53.00 H new ATOM 0 HA3 GLY A 93 9.946 -16.635 -0.788 1.00 53.00 H new ATOM 544 N ASP A 94 9.608 -14.519 -3.102 1.00 24.02 N ATOM 545 CA ASP A 94 10.275 -13.542 -3.955 1.00 73.02 C ATOM 546 C ASP A 94 9.519 -12.217 -3.957 1.00 12.00 C ATOM 547 O ASP A 94 8.294 -12.189 -4.078 1.00 71.23 O ATOM 548 CB ASP A 94 10.394 -14.077 -5.383 1.00 32.41 C ATOM 549 CG ASP A 94 11.836 -14.259 -5.815 1.00 13.22 C ATOM 550 OD1 ASP A 94 12.473 -13.253 -6.193 1.00 22.33 O ATOM 551 OD2 ASP A 94 12.327 -15.406 -5.774 1.00 50.10 O ATOM 0 H ASP A 94 8.786 -14.953 -3.521 1.00 24.02 H new ATOM 0 HA ASP A 94 11.274 -13.369 -3.555 1.00 73.02 H new ATOM 0 HB2 ASP A 94 9.873 -15.032 -5.455 1.00 32.41 H new ATOM 0 HB3 ASP A 94 9.897 -13.390 -6.068 1.00 32.41 H new ATOM 556 N PHE A 95 10.257 -11.120 -3.821 1.00 31.45 N ATOM 557 CA PHE A 95 9.656 -9.792 -3.804 1.00 42.33 C ATOM 558 C PHE A 95 10.268 -8.905 -4.885 1.00 73.12 C ATOM 559 O PHE A 95 11.476 -8.938 -5.120 1.00 75.04 O ATOM 560 CB PHE A 95 9.841 -9.142 -2.431 1.00 71.03 C ATOM 561 CG PHE A 95 8.791 -9.541 -1.434 1.00 3.45 C ATOM 562 CD1 PHE A 95 7.506 -9.029 -1.518 1.00 63.44 C ATOM 563 CD2 PHE A 95 9.090 -10.426 -0.410 1.00 51.14 C ATOM 564 CE1 PHE A 95 6.538 -9.394 -0.602 1.00 71.41 C ATOM 565 CE2 PHE A 95 8.126 -10.795 0.508 1.00 14.24 C ATOM 566 CZ PHE A 95 6.848 -10.277 0.413 1.00 25.53 C ATOM 0 H PHE A 95 11.272 -11.125 -3.721 1.00 31.45 H new ATOM 0 HA PHE A 95 8.590 -9.900 -4.006 1.00 42.33 H new ATOM 0 HB2 PHE A 95 10.823 -9.410 -2.040 1.00 71.03 H new ATOM 0 HB3 PHE A 95 9.829 -8.058 -2.546 1.00 71.03 H new ATOM 0 HD1 PHE A 95 7.258 -8.336 -2.309 1.00 63.44 H new ATOM 0 HD2 PHE A 95 10.088 -10.832 -0.329 1.00 51.14 H new ATOM 0 HE1 PHE A 95 5.540 -8.989 -0.680 1.00 71.41 H new ATOM 0 HE2 PHE A 95 8.371 -11.488 1.300 1.00 14.24 H new ATOM 0 HZ PHE A 95 6.094 -10.562 1.131 1.00 25.53 H new ATOM 576 N SER A 96 9.424 -8.114 -5.540 1.00 42.23 N ATOM 577 CA SER A 96 9.880 -7.221 -6.600 1.00 33.24 C ATOM 578 C SER A 96 9.203 -5.858 -6.490 1.00 22.13 C ATOM 579 O SER A 96 7.975 -5.761 -6.470 1.00 44.15 O ATOM 580 CB SER A 96 9.594 -7.836 -7.971 1.00 43.23 C ATOM 581 OG SER A 96 8.261 -7.581 -8.377 1.00 14.22 O ATOM 0 H SER A 96 8.422 -8.073 -5.356 1.00 42.23 H new ATOM 0 HA SER A 96 10.955 -7.083 -6.489 1.00 33.24 H new ATOM 0 HB2 SER A 96 10.286 -7.428 -8.708 1.00 43.23 H new ATOM 0 HB3 SER A 96 9.766 -8.912 -7.934 1.00 43.23 H new ATOM 0 HG SER A 96 7.870 -6.892 -7.800 1.00 14.22 H new ATOM 587 N LEU A 97 10.013 -4.807 -6.418 1.00 34.31 N ATOM 588 CA LEU A 97 9.494 -3.448 -6.310 1.00 30.01 C ATOM 589 C LEU A 97 9.248 -2.848 -7.690 1.00 44.44 C ATOM 590 O LEU A 97 9.832 -3.285 -8.682 1.00 25.45 O ATOM 591 CB LEU A 97 10.470 -2.569 -5.525 1.00 61.54 C ATOM 592 CG LEU A 97 10.055 -1.110 -5.334 1.00 61.25 C ATOM 593 CD1 LEU A 97 8.889 -1.010 -4.364 1.00 14.41 C ATOM 594 CD2 LEU A 97 11.233 -0.281 -4.844 1.00 13.32 C ATOM 0 H LEU A 97 11.031 -4.870 -6.432 1.00 34.31 H new ATOM 0 HA LEU A 97 8.544 -3.489 -5.778 1.00 30.01 H new ATOM 0 HB2 LEU A 97 10.619 -3.015 -4.542 1.00 61.54 H new ATOM 0 HB3 LEU A 97 11.434 -2.588 -6.033 1.00 61.54 H new ATOM 0 HG LEU A 97 9.734 -0.714 -6.297 1.00 61.25 H new ATOM 0 HD11 LEU A 97 8.607 0.036 -4.240 1.00 14.41 H new ATOM 0 HD12 LEU A 97 8.040 -1.571 -4.756 1.00 14.41 H new ATOM 0 HD13 LEU A 97 9.182 -1.423 -3.399 1.00 14.41 H new ATOM 0 HD21 LEU A 97 10.920 0.755 -4.713 1.00 13.32 H new ATOM 0 HD22 LEU A 97 11.585 -0.676 -3.891 1.00 13.32 H new ATOM 0 HD23 LEU A 97 12.039 -0.327 -5.576 1.00 13.32 H new ATOM 606 N SER A 98 8.382 -1.841 -7.747 1.00 32.32 N ATOM 607 CA SER A 98 8.058 -1.181 -9.006 1.00 73.30 C ATOM 608 C SER A 98 7.743 0.294 -8.781 1.00 10.54 C ATOM 609 O SER A 98 6.677 0.643 -8.273 1.00 2.52 O ATOM 610 CB SER A 98 6.868 -1.871 -9.677 1.00 23.45 C ATOM 611 OG SER A 98 7.170 -2.219 -11.017 1.00 34.12 O ATOM 0 H SER A 98 7.892 -1.464 -6.935 1.00 32.32 H new ATOM 0 HA SER A 98 8.927 -1.254 -9.659 1.00 73.30 H new ATOM 0 HB2 SER A 98 6.600 -2.767 -9.117 1.00 23.45 H new ATOM 0 HB3 SER A 98 6.001 -1.210 -9.656 1.00 23.45 H new ATOM 0 HG SER A 98 6.352 -2.512 -11.471 1.00 34.12 H new ATOM 617 N VAL A 99 8.679 1.158 -9.162 1.00 61.32 N ATOM 618 CA VAL A 99 8.503 2.596 -9.003 1.00 51.34 C ATOM 619 C VAL A 99 8.213 3.265 -10.342 1.00 54.42 C ATOM 620 O VAL A 99 8.663 2.803 -11.391 1.00 0.33 O ATOM 621 CB VAL A 99 9.749 3.248 -8.375 1.00 51.55 C ATOM 622 CG1 VAL A 99 10.205 4.438 -9.206 1.00 51.40 C ATOM 623 CG2 VAL A 99 9.465 3.667 -6.941 1.00 30.33 C ATOM 0 H VAL A 99 9.567 0.886 -9.583 1.00 61.32 H new ATOM 0 HA VAL A 99 7.652 2.739 -8.336 1.00 51.34 H new ATOM 0 HB VAL A 99 10.555 2.514 -8.362 1.00 51.55 H new ATOM 0 HG11 VAL A 99 11.086 4.886 -8.747 1.00 51.40 H new ATOM 0 HG12 VAL A 99 10.451 4.105 -10.214 1.00 51.40 H new ATOM 0 HG13 VAL A 99 9.405 5.177 -9.253 1.00 51.40 H new ATOM 0 HG21 VAL A 99 10.356 4.126 -6.513 1.00 30.33 H new ATOM 0 HG22 VAL A 99 8.645 4.385 -6.927 1.00 30.33 H new ATOM 0 HG23 VAL A 99 9.190 2.791 -6.354 1.00 30.33 H new ATOM 633 N LYS A 100 7.457 4.358 -10.300 1.00 21.41 N ATOM 634 CA LYS A 100 7.107 5.093 -11.509 1.00 11.51 C ATOM 635 C LYS A 100 8.072 6.252 -11.739 1.00 53.23 C ATOM 636 O LYS A 100 8.371 7.016 -10.821 1.00 60.20 O ATOM 637 CB LYS A 100 5.673 5.621 -11.412 1.00 65.15 C ATOM 638 CG LYS A 100 5.333 6.654 -12.473 1.00 32.14 C ATOM 639 CD LYS A 100 3.880 6.551 -12.905 1.00 13.34 C ATOM 640 CE LYS A 100 3.605 7.395 -14.140 1.00 74.42 C ATOM 641 NZ LYS A 100 3.082 8.743 -13.786 1.00 42.41 N ATOM 0 H LYS A 100 7.075 4.754 -9.441 1.00 21.41 H new ATOM 0 HA LYS A 100 7.180 4.409 -12.355 1.00 11.51 H new ATOM 0 HB2 LYS A 100 4.980 4.784 -11.496 1.00 65.15 H new ATOM 0 HB3 LYS A 100 5.523 6.061 -10.426 1.00 65.15 H new ATOM 0 HG2 LYS A 100 5.528 7.654 -12.085 1.00 32.14 H new ATOM 0 HG3 LYS A 100 5.982 6.516 -13.338 1.00 32.14 H new ATOM 0 HD2 LYS A 100 3.634 5.510 -13.112 1.00 13.34 H new ATOM 0 HD3 LYS A 100 3.233 6.875 -12.090 1.00 13.34 H new ATOM 0 HE2 LYS A 100 4.523 7.502 -14.718 1.00 74.42 H new ATOM 0 HE3 LYS A 100 2.885 6.882 -14.777 1.00 74.42 H new ATOM 0 HZ1 LYS A 100 2.907 9.287 -14.655 1.00 42.41 H new ATOM 0 HZ2 LYS A 100 2.193 8.642 -13.256 1.00 42.41 H new ATOM 0 HZ3 LYS A 100 3.780 9.243 -13.199 1.00 42.41 H new ATOM 655 N PHE A 101 8.554 6.378 -12.971 1.00 42.51 N ATOM 656 CA PHE A 101 9.485 7.445 -13.322 1.00 31.11 C ATOM 657 C PHE A 101 9.050 8.146 -14.605 1.00 53.14 C ATOM 658 O PHE A 101 9.289 7.653 -15.707 1.00 13.11 O ATOM 659 CB PHE A 101 10.898 6.883 -13.489 1.00 23.14 C ATOM 660 CG PHE A 101 11.598 6.624 -12.185 1.00 31.20 C ATOM 661 CD1 PHE A 101 11.742 7.634 -11.248 1.00 43.32 C ATOM 662 CD2 PHE A 101 12.112 5.370 -11.897 1.00 35.44 C ATOM 663 CE1 PHE A 101 12.385 7.399 -10.047 1.00 43.14 C ATOM 664 CE2 PHE A 101 12.755 5.128 -10.698 1.00 10.45 C ATOM 665 CZ PHE A 101 12.893 6.145 -9.772 1.00 61.43 C ATOM 0 H PHE A 101 8.316 5.755 -13.743 1.00 42.51 H new ATOM 0 HA PHE A 101 9.485 8.174 -12.512 1.00 31.11 H new ATOM 0 HB2 PHE A 101 10.846 5.953 -14.055 1.00 23.14 H new ATOM 0 HB3 PHE A 101 11.491 7.582 -14.078 1.00 23.14 H new ATOM 0 HD1 PHE A 101 11.347 8.617 -11.458 1.00 43.32 H new ATOM 0 HD2 PHE A 101 12.009 4.572 -12.618 1.00 35.44 H new ATOM 0 HE1 PHE A 101 12.490 8.195 -9.325 1.00 43.14 H new ATOM 0 HE2 PHE A 101 13.149 4.145 -10.485 1.00 10.45 H new ATOM 0 HZ PHE A 101 13.397 5.959 -8.835 1.00 61.43 H new ATOM 675 N GLY A 102 8.408 9.301 -14.454 1.00 30.24 N ATOM 676 CA GLY A 102 7.949 10.051 -15.608 1.00 15.45 C ATOM 677 C GLY A 102 7.022 9.243 -16.494 1.00 22.41 C ATOM 678 O GLY A 102 5.958 8.807 -16.057 1.00 10.02 O ATOM 0 H GLY A 102 8.198 9.730 -13.553 1.00 30.24 H new ATOM 0 HA2 GLY A 102 7.432 10.950 -15.271 1.00 15.45 H new ATOM 0 HA3 GLY A 102 8.810 10.378 -16.191 1.00 15.45 H new ATOM 682 N ASN A 103 7.427 9.043 -17.744 1.00 20.20 N ATOM 683 CA ASN A 103 6.624 8.283 -18.695 1.00 61.31 C ATOM 684 C ASN A 103 7.117 6.842 -18.795 1.00 4.53 C ATOM 685 O ASN A 103 6.828 6.142 -19.765 1.00 43.21 O ATOM 686 CB ASN A 103 6.667 8.945 -20.074 1.00 33.32 C ATOM 687 CG ASN A 103 5.295 9.391 -20.544 1.00 24.53 C ATOM 688 OD1 ASN A 103 4.330 8.628 -20.490 1.00 64.01 O ATOM 689 ND2 ASN A 103 5.204 10.631 -21.008 1.00 13.31 N ATOM 0 H ASN A 103 8.306 9.396 -18.122 1.00 20.20 H new ATOM 0 HA ASN A 103 5.595 8.272 -18.336 1.00 61.31 H new ATOM 0 HB2 ASN A 103 7.334 9.806 -20.040 1.00 33.32 H new ATOM 0 HB3 ASN A 103 7.086 8.245 -20.797 1.00 33.32 H new ATOM 0 HD21 ASN A 103 4.307 10.987 -21.339 1.00 13.31 H new ATOM 0 HD22 ASN A 103 6.031 11.228 -21.034 1.00 13.31 H new ATOM 696 N ASP A 104 7.862 6.407 -17.785 1.00 4.03 N ATOM 697 CA ASP A 104 8.395 5.050 -17.757 1.00 33.30 C ATOM 698 C ASP A 104 8.298 4.456 -16.355 1.00 14.41 C ATOM 699 O ASP A 104 8.474 5.158 -15.359 1.00 2.11 O ATOM 700 CB ASP A 104 9.850 5.040 -18.229 1.00 34.13 C ATOM 701 CG ASP A 104 9.984 4.638 -19.684 1.00 74.52 C ATOM 702 OD1 ASP A 104 9.537 5.411 -20.557 1.00 35.24 O ATOM 703 OD2 ASP A 104 10.535 3.549 -19.951 1.00 32.21 O ATOM 0 H ASP A 104 8.111 6.974 -16.975 1.00 4.03 H new ATOM 0 HA ASP A 104 7.798 4.438 -18.433 1.00 33.30 H new ATOM 0 HB2 ASP A 104 10.281 6.031 -18.088 1.00 34.13 H new ATOM 0 HB3 ASP A 104 10.425 4.351 -17.610 1.00 34.13 H new ATOM 708 N VAL A 105 8.015 3.159 -16.285 1.00 14.52 N ATOM 709 CA VAL A 105 7.894 2.471 -15.005 1.00 52.41 C ATOM 710 C VAL A 105 9.059 1.514 -14.784 1.00 4.13 C ATOM 711 O VAL A 105 9.210 0.528 -15.504 1.00 70.20 O ATOM 712 CB VAL A 105 6.573 1.684 -14.913 1.00 50.54 C ATOM 713 CG1 VAL A 105 6.425 1.047 -13.540 1.00 41.13 C ATOM 714 CG2 VAL A 105 5.391 2.591 -15.219 1.00 54.45 C ATOM 0 H VAL A 105 7.865 2.564 -17.100 1.00 14.52 H new ATOM 0 HA VAL A 105 7.906 3.238 -14.231 1.00 52.41 H new ATOM 0 HB VAL A 105 6.593 0.887 -15.656 1.00 50.54 H new ATOM 0 HG11 VAL A 105 5.486 0.495 -13.494 1.00 41.13 H new ATOM 0 HG12 VAL A 105 7.256 0.364 -13.364 1.00 41.13 H new ATOM 0 HG13 VAL A 105 6.427 1.825 -12.776 1.00 41.13 H new ATOM 0 HG21 VAL A 105 4.466 2.019 -15.150 1.00 54.45 H new ATOM 0 HG22 VAL A 105 5.366 3.410 -14.501 1.00 54.45 H new ATOM 0 HG23 VAL A 105 5.493 2.995 -16.226 1.00 54.45 H new ATOM 724 N GLN A 106 9.881 1.812 -13.782 1.00 51.33 N ATOM 725 CA GLN A 106 11.034 0.977 -13.466 1.00 52.42 C ATOM 726 C GLN A 106 10.743 0.079 -12.269 1.00 23.14 C ATOM 727 O GLN A 106 9.721 0.230 -11.599 1.00 52.32 O ATOM 728 CB GLN A 106 12.258 1.849 -13.180 1.00 30.10 C ATOM 729 CG GLN A 106 12.573 2.839 -14.289 1.00 54.35 C ATOM 730 CD GLN A 106 12.741 2.170 -15.639 1.00 73.31 C ATOM 731 OE1 GLN A 106 13.112 0.999 -15.722 1.00 71.41 O ATOM 732 NE2 GLN A 106 12.467 2.911 -16.706 1.00 44.23 N ATOM 0 H GLN A 106 9.770 2.625 -13.176 1.00 51.33 H new ATOM 0 HA GLN A 106 11.241 0.345 -14.329 1.00 52.42 H new ATOM 0 HB2 GLN A 106 12.095 2.396 -12.252 1.00 30.10 H new ATOM 0 HB3 GLN A 106 13.123 1.205 -13.023 1.00 30.10 H new ATOM 0 HG2 GLN A 106 11.773 3.576 -14.350 1.00 54.35 H new ATOM 0 HG3 GLN A 106 13.486 3.380 -14.040 1.00 54.35 H new ATOM 0 HE21 GLN A 106 12.162 3.878 -16.591 1.00 44.23 H new ATOM 0 HE22 GLN A 106 12.561 2.514 -17.641 1.00 44.23 H new ATOM 741 N HIS A 107 11.649 -0.857 -12.004 1.00 21.41 N ATOM 742 CA HIS A 107 11.490 -1.781 -10.886 1.00 51.21 C ATOM 743 C HIS A 107 12.840 -2.105 -10.252 1.00 55.45 C ATOM 744 O HIS A 107 13.890 -1.780 -10.806 1.00 4.34 O ATOM 745 CB HIS A 107 10.811 -3.068 -11.354 1.00 32.44 C ATOM 746 CG HIS A 107 10.843 -3.257 -12.839 1.00 62.40 C ATOM 747 ND1 HIS A 107 9.705 -3.317 -13.615 1.00 71.21 N ATOM 748 CD2 HIS A 107 11.885 -3.398 -13.691 1.00 64.41 C ATOM 749 CE1 HIS A 107 10.046 -3.489 -14.880 1.00 15.31 C ATOM 750 NE2 HIS A 107 11.363 -3.541 -14.953 1.00 43.31 N ATOM 0 H HIS A 107 12.501 -0.996 -12.548 1.00 21.41 H new ATOM 0 HA HIS A 107 10.863 -1.300 -10.136 1.00 51.21 H new ATOM 0 HB2 HIS A 107 11.297 -3.919 -10.877 1.00 32.44 H new ATOM 0 HB3 HIS A 107 9.774 -3.064 -11.019 1.00 32.44 H new ATOM 0 HD2 HIS A 107 12.932 -3.398 -13.427 1.00 64.41 H new ATOM 0 HE1 HIS A 107 9.363 -3.573 -15.713 1.00 15.31 H new ATOM 0 HE2 HIS A 107 11.905 -3.667 -15.808 1.00 43.31 H new ATOM 758 N PHE A 108 12.803 -2.746 -9.089 1.00 51.11 N ATOM 759 CA PHE A 108 14.023 -3.112 -8.379 1.00 40.03 C ATOM 760 C PHE A 108 13.911 -4.517 -7.794 1.00 11.42 C ATOM 761 O PHE A 108 13.042 -4.789 -6.965 1.00 72.24 O ATOM 762 CB PHE A 108 14.312 -2.104 -7.265 1.00 32.22 C ATOM 763 CG PHE A 108 14.515 -0.702 -7.763 1.00 3.24 C ATOM 764 CD1 PHE A 108 13.431 0.092 -8.101 1.00 20.41 C ATOM 765 CD2 PHE A 108 15.791 -0.177 -7.893 1.00 22.21 C ATOM 766 CE1 PHE A 108 13.615 1.383 -8.559 1.00 72.30 C ATOM 767 CE2 PHE A 108 15.981 1.113 -8.350 1.00 0.20 C ATOM 768 CZ PHE A 108 14.892 1.894 -8.685 1.00 33.34 C ATOM 0 H PHE A 108 11.942 -3.023 -8.618 1.00 51.11 H new ATOM 0 HA PHE A 108 14.847 -3.100 -9.093 1.00 40.03 H new ATOM 0 HB2 PHE A 108 13.485 -2.113 -6.555 1.00 32.22 H new ATOM 0 HB3 PHE A 108 15.202 -2.420 -6.722 1.00 32.22 H new ATOM 0 HD1 PHE A 108 12.430 -0.303 -8.005 1.00 20.41 H new ATOM 0 HD2 PHE A 108 16.647 -0.783 -7.634 1.00 22.21 H new ATOM 0 HE1 PHE A 108 12.761 1.992 -8.818 1.00 72.30 H new ATOM 0 HE2 PHE A 108 16.981 1.511 -8.445 1.00 0.20 H new ATOM 0 HZ PHE A 108 15.039 2.902 -9.045 1.00 33.34 H new ATOM 778 N LYS A 109 14.796 -5.406 -8.231 1.00 5.42 N ATOM 779 CA LYS A 109 14.800 -6.783 -7.751 1.00 54.52 C ATOM 780 C LYS A 109 15.231 -6.849 -6.290 1.00 2.33 C ATOM 781 O LYS A 109 16.282 -6.325 -5.918 1.00 34.41 O ATOM 782 CB LYS A 109 15.732 -7.641 -8.609 1.00 2.22 C ATOM 783 CG LYS A 109 15.000 -8.541 -9.589 1.00 64.11 C ATOM 784 CD LYS A 109 15.708 -9.875 -9.756 1.00 63.24 C ATOM 785 CE LYS A 109 15.481 -10.781 -8.556 1.00 23.11 C ATOM 786 NZ LYS A 109 14.983 -12.124 -8.961 1.00 74.53 N ATOM 0 H LYS A 109 15.521 -5.197 -8.918 1.00 5.42 H new ATOM 0 HA LYS A 109 13.785 -7.172 -7.829 1.00 54.52 H new ATOM 0 HB2 LYS A 109 16.406 -6.988 -9.163 1.00 2.22 H new ATOM 0 HB3 LYS A 109 16.350 -8.257 -7.955 1.00 2.22 H new ATOM 0 HG2 LYS A 109 13.982 -8.710 -9.239 1.00 64.11 H new ATOM 0 HG3 LYS A 109 14.926 -8.044 -10.556 1.00 64.11 H new ATOM 0 HD2 LYS A 109 15.348 -10.368 -10.659 1.00 63.24 H new ATOM 0 HD3 LYS A 109 16.777 -9.707 -9.889 1.00 63.24 H new ATOM 0 HE2 LYS A 109 16.414 -10.891 -8.003 1.00 23.11 H new ATOM 0 HE3 LYS A 109 14.763 -10.316 -7.881 1.00 23.11 H new ATOM 0 HZ1 LYS A 109 14.841 -12.711 -8.115 1.00 74.53 H new ATOM 0 HZ2 LYS A 109 14.080 -12.021 -9.467 1.00 74.53 H new ATOM 0 HZ3 LYS A 109 15.680 -12.579 -9.585 1.00 74.53 H new ATOM 800 N VAL A 110 14.415 -7.497 -5.465 1.00 15.41 N ATOM 801 CA VAL A 110 14.713 -7.633 -4.044 1.00 64.54 C ATOM 802 C VAL A 110 15.206 -9.039 -3.720 1.00 24.14 C ATOM 803 O VAL A 110 14.697 -10.026 -4.252 1.00 20.20 O ATOM 804 CB VAL A 110 13.478 -7.322 -3.178 1.00 45.54 C ATOM 805 CG1 VAL A 110 13.666 -7.858 -1.768 1.00 20.34 C ATOM 806 CG2 VAL A 110 13.208 -5.825 -3.157 1.00 11.33 C ATOM 0 H VAL A 110 13.542 -7.936 -5.756 1.00 15.41 H new ATOM 0 HA VAL A 110 15.498 -6.912 -3.815 1.00 64.54 H new ATOM 0 HB VAL A 110 12.613 -7.819 -3.617 1.00 45.54 H new ATOM 0 HG11 VAL A 110 12.783 -7.629 -1.171 1.00 20.34 H new ATOM 0 HG12 VAL A 110 13.808 -8.938 -1.805 1.00 20.34 H new ATOM 0 HG13 VAL A 110 14.541 -7.392 -1.315 1.00 20.34 H new ATOM 0 HG21 VAL A 110 12.332 -5.622 -2.541 1.00 11.33 H new ATOM 0 HG22 VAL A 110 14.072 -5.305 -2.742 1.00 11.33 H new ATOM 0 HG23 VAL A 110 13.026 -5.474 -4.173 1.00 11.33 H new ATOM 816 N LEU A 111 16.200 -9.123 -2.842 1.00 63.22 N ATOM 817 CA LEU A 111 16.763 -10.409 -2.445 1.00 21.13 C ATOM 818 C LEU A 111 16.637 -10.616 -0.939 1.00 23.33 C ATOM 819 O LEU A 111 16.361 -9.676 -0.194 1.00 32.03 O ATOM 820 CB LEU A 111 18.232 -10.496 -2.862 1.00 61.00 C ATOM 821 CG LEU A 111 18.496 -10.955 -4.296 1.00 63.15 C ATOM 822 CD1 LEU A 111 18.190 -9.836 -5.280 1.00 73.50 C ATOM 823 CD2 LEU A 111 19.936 -11.423 -4.450 1.00 62.10 C ATOM 0 H LEU A 111 16.632 -8.316 -2.392 1.00 63.22 H new ATOM 0 HA LEU A 111 16.202 -11.195 -2.950 1.00 21.13 H new ATOM 0 HB2 LEU A 111 18.686 -9.514 -2.726 1.00 61.00 H new ATOM 0 HB3 LEU A 111 18.742 -11.180 -2.183 1.00 61.00 H new ATOM 0 HG LEU A 111 17.836 -11.795 -4.515 1.00 63.15 H new ATOM 0 HD11 LEU A 111 18.384 -10.181 -6.296 1.00 73.50 H new ATOM 0 HD12 LEU A 111 17.143 -9.547 -5.189 1.00 73.50 H new ATOM 0 HD13 LEU A 111 18.824 -8.976 -5.062 1.00 73.50 H new ATOM 0 HD21 LEU A 111 20.106 -11.746 -5.477 1.00 62.10 H new ATOM 0 HD22 LEU A 111 20.613 -10.603 -4.211 1.00 62.10 H new ATOM 0 HD23 LEU A 111 20.122 -12.256 -3.772 1.00 62.10 H new ATOM 835 N ARG A 112 16.844 -11.853 -0.497 1.00 43.35 N ATOM 836 CA ARG A 112 16.755 -12.183 0.920 1.00 61.13 C ATOM 837 C ARG A 112 17.812 -13.214 1.305 1.00 34.41 C ATOM 838 O ARG A 112 18.013 -14.204 0.601 1.00 20.22 O ATOM 839 CB ARG A 112 15.361 -12.716 1.254 1.00 33.22 C ATOM 840 CG ARG A 112 14.959 -13.929 0.431 1.00 54.35 C ATOM 841 CD ARG A 112 14.067 -13.538 -0.737 1.00 54.24 C ATOM 842 NE ARG A 112 14.797 -13.521 -2.002 1.00 52.21 N ATOM 843 CZ ARG A 112 15.144 -14.618 -2.665 1.00 21.30 C ATOM 844 NH1 ARG A 112 14.829 -15.814 -2.186 1.00 11.31 N ATOM 845 NH2 ARG A 112 15.808 -14.521 -3.810 1.00 33.21 N ATOM 0 H ARG A 112 17.074 -12.643 -1.100 1.00 43.35 H new ATOM 0 HA ARG A 112 16.935 -11.273 1.492 1.00 61.13 H new ATOM 0 HB2 ARG A 112 15.325 -12.977 2.312 1.00 33.22 H new ATOM 0 HB3 ARG A 112 14.631 -11.922 1.096 1.00 33.22 H new ATOM 0 HG2 ARG A 112 15.853 -14.429 0.057 1.00 54.35 H new ATOM 0 HG3 ARG A 112 14.436 -14.644 1.066 1.00 54.35 H new ATOM 0 HD2 ARG A 112 13.235 -14.239 -0.808 1.00 54.24 H new ATOM 0 HD3 ARG A 112 13.639 -12.553 -0.552 1.00 54.24 H new ATOM 0 HE ARG A 112 15.054 -12.617 -2.398 1.00 52.21 H new ATOM 0 HH11 ARG A 112 14.319 -15.893 -1.306 1.00 11.31 H new ATOM 0 HH12 ARG A 112 15.097 -16.655 -2.697 1.00 11.31 H new ATOM 0 HH21 ARG A 112 16.052 -13.603 -4.182 1.00 33.21 H new ATOM 0 HH22 ARG A 112 16.074 -15.364 -4.318 1.00 33.21 H new ATOM 859 N ASP A 113 18.483 -12.975 2.426 1.00 62.10 N ATOM 860 CA ASP A 113 19.519 -13.883 2.906 1.00 53.05 C ATOM 861 C ASP A 113 19.339 -14.175 4.392 1.00 63.30 C ATOM 862 O ASP A 113 18.594 -13.484 5.085 1.00 24.24 O ATOM 863 CB ASP A 113 20.905 -13.288 2.654 1.00 41.02 C ATOM 864 CG ASP A 113 21.479 -12.617 3.886 1.00 44.31 C ATOM 865 OD1 ASP A 113 20.750 -11.834 4.530 1.00 51.42 O ATOM 866 OD2 ASP A 113 22.658 -12.875 4.207 1.00 61.22 O ATOM 0 H ASP A 113 18.328 -12.160 3.020 1.00 62.10 H new ATOM 0 HA ASP A 113 19.430 -14.820 2.357 1.00 53.05 H new ATOM 0 HB2 ASP A 113 21.582 -14.077 2.325 1.00 41.02 H new ATOM 0 HB3 ASP A 113 20.844 -12.562 1.843 1.00 41.02 H new ATOM 871 N GLY A 114 20.027 -15.206 4.875 1.00 41.13 N ATOM 872 CA GLY A 114 19.929 -15.572 6.275 1.00 31.44 C ATOM 873 C GLY A 114 18.678 -16.373 6.579 1.00 40.01 C ATOM 874 O GLY A 114 18.733 -17.379 7.285 1.00 62.30 O ATOM 0 H GLY A 114 20.650 -15.794 4.321 1.00 41.13 H new ATOM 0 HA2 GLY A 114 20.807 -16.153 6.558 1.00 31.44 H new ATOM 0 HA3 GLY A 114 19.935 -14.669 6.885 1.00 31.44 H new ATOM 878 N ALA A 115 17.546 -15.925 6.045 1.00 4.55 N ATOM 879 CA ALA A 115 16.277 -16.606 6.263 1.00 74.31 C ATOM 880 C ALA A 115 15.100 -15.688 5.952 1.00 51.34 C ATOM 881 O ALA A 115 13.985 -16.150 5.713 1.00 10.13 O ATOM 882 CB ALA A 115 16.188 -17.113 7.695 1.00 63.53 C ATOM 0 H ALA A 115 17.483 -15.093 5.458 1.00 4.55 H new ATOM 0 HA ALA A 115 16.230 -17.457 5.584 1.00 74.31 H new ATOM 0 HB1 ALA A 115 15.234 -17.620 7.843 1.00 63.53 H new ATOM 0 HB2 ALA A 115 17.003 -17.811 7.885 1.00 63.53 H new ATOM 0 HB3 ALA A 115 16.263 -16.272 8.384 1.00 63.53 H new ATOM 888 N GLY A 116 15.356 -14.383 5.956 1.00 1.12 N ATOM 889 CA GLY A 116 14.308 -13.420 5.674 1.00 74.13 C ATOM 890 C GLY A 116 14.852 -12.031 5.409 1.00 45.40 C ATOM 891 O GLY A 116 14.279 -11.268 4.631 1.00 71.12 O ATOM 0 H GLY A 116 16.271 -13.976 6.150 1.00 1.12 H new ATOM 0 HA2 GLY A 116 13.736 -13.754 4.808 1.00 74.13 H new ATOM 0 HA3 GLY A 116 13.618 -13.382 6.517 1.00 74.13 H new ATOM 895 N LYS A 117 15.963 -11.698 6.059 1.00 72.52 N ATOM 896 CA LYS A 117 16.586 -10.391 5.891 1.00 62.11 C ATOM 897 C LYS A 117 16.716 -10.036 4.413 1.00 14.22 C ATOM 898 O LYS A 117 17.408 -10.719 3.659 1.00 60.42 O ATOM 899 CB LYS A 117 17.966 -10.372 6.554 1.00 75.14 C ATOM 900 CG LYS A 117 17.913 -10.451 8.070 1.00 41.25 C ATOM 901 CD LYS A 117 18.786 -9.387 8.714 1.00 63.13 C ATOM 902 CE LYS A 117 20.072 -9.982 9.267 1.00 1.34 C ATOM 903 NZ LYS A 117 19.970 -10.263 10.726 1.00 31.11 N ATOM 0 H LYS A 117 16.450 -12.317 6.707 1.00 72.52 H new ATOM 0 HA LYS A 117 15.949 -9.648 6.370 1.00 62.11 H new ATOM 0 HB2 LYS A 117 18.553 -11.208 6.175 1.00 75.14 H new ATOM 0 HB3 LYS A 117 18.487 -9.459 6.264 1.00 75.14 H new ATOM 0 HG2 LYS A 117 16.883 -10.330 8.406 1.00 41.25 H new ATOM 0 HG3 LYS A 117 18.241 -11.438 8.396 1.00 41.25 H new ATOM 0 HD2 LYS A 117 19.026 -8.618 7.980 1.00 63.13 H new ATOM 0 HD3 LYS A 117 18.234 -8.899 9.518 1.00 63.13 H new ATOM 0 HE2 LYS A 117 20.304 -10.905 8.735 1.00 1.34 H new ATOM 0 HE3 LYS A 117 20.898 -9.294 9.086 1.00 1.34 H new ATOM 0 HZ1 LYS A 117 20.866 -10.668 11.065 1.00 31.11 H new ATOM 0 HZ2 LYS A 117 19.774 -9.379 11.237 1.00 31.11 H new ATOM 0 HZ3 LYS A 117 19.199 -10.939 10.896 1.00 31.11 H new ATOM 917 N TYR A 118 16.047 -8.963 4.007 1.00 54.42 N ATOM 918 CA TYR A 118 16.086 -8.517 2.619 1.00 63.30 C ATOM 919 C TYR A 118 17.226 -7.528 2.397 1.00 51.42 C ATOM 920 O TYR A 118 17.721 -6.910 3.340 1.00 35.32 O ATOM 921 CB TYR A 118 14.754 -7.874 2.229 1.00 22.34 C ATOM 922 CG TYR A 118 13.557 -8.763 2.479 1.00 12.04 C ATOM 923 CD1 TYR A 118 13.124 -9.666 1.516 1.00 23.10 C ATOM 924 CD2 TYR A 118 12.857 -8.699 3.678 1.00 3.01 C ATOM 925 CE1 TYR A 118 12.030 -10.480 1.740 1.00 43.34 C ATOM 926 CE2 TYR A 118 11.763 -9.510 3.911 1.00 43.41 C ATOM 927 CZ TYR A 118 11.354 -10.398 2.939 1.00 74.13 C ATOM 928 OH TYR A 118 10.263 -11.206 3.166 1.00 23.32 O ATOM 0 H TYR A 118 15.471 -8.385 4.619 1.00 54.42 H new ATOM 0 HA TYR A 118 16.258 -9.389 1.989 1.00 63.30 H new ATOM 0 HB2 TYR A 118 14.630 -6.946 2.788 1.00 22.34 H new ATOM 0 HB3 TYR A 118 14.784 -7.608 1.172 1.00 22.34 H new ATOM 0 HD1 TYR A 118 13.652 -9.733 0.576 1.00 23.10 H new ATOM 0 HD2 TYR A 118 13.174 -8.003 4.441 1.00 3.01 H new ATOM 0 HE1 TYR A 118 11.706 -11.176 0.980 1.00 43.34 H new ATOM 0 HE2 TYR A 118 11.231 -9.449 4.849 1.00 43.41 H new ATOM 0 HH TYR A 118 9.902 -11.025 4.059 1.00 23.32 H new ATOM 938 N PHE A 119 17.637 -7.381 1.142 1.00 65.43 N ATOM 939 CA PHE A 119 18.719 -6.467 0.793 1.00 31.34 C ATOM 940 C PHE A 119 18.840 -6.320 -0.721 1.00 24.25 C ATOM 941 O PHE A 119 18.249 -7.089 -1.480 1.00 11.20 O ATOM 942 CB PHE A 119 20.043 -6.964 1.377 1.00 62.53 C ATOM 943 CG PHE A 119 20.657 -8.090 0.595 1.00 24.40 C ATOM 944 CD1 PHE A 119 19.970 -9.279 0.411 1.00 24.54 C ATOM 945 CD2 PHE A 119 21.922 -7.960 0.044 1.00 2.23 C ATOM 946 CE1 PHE A 119 20.533 -10.317 -0.308 1.00 35.53 C ATOM 947 CE2 PHE A 119 22.489 -8.994 -0.676 1.00 61.01 C ATOM 948 CZ PHE A 119 21.794 -10.175 -0.851 1.00 41.33 C ATOM 0 H PHE A 119 17.237 -7.883 0.349 1.00 65.43 H new ATOM 0 HA PHE A 119 18.487 -5.490 1.217 1.00 31.34 H new ATOM 0 HB2 PHE A 119 20.748 -6.133 1.417 1.00 62.53 H new ATOM 0 HB3 PHE A 119 19.878 -7.292 2.403 1.00 62.53 H new ATOM 0 HD1 PHE A 119 18.983 -9.396 0.834 1.00 24.54 H new ATOM 0 HD2 PHE A 119 22.471 -7.040 0.179 1.00 2.23 H new ATOM 0 HE1 PHE A 119 19.986 -11.238 -0.445 1.00 35.53 H new ATOM 0 HE2 PHE A 119 23.475 -8.879 -1.102 1.00 61.01 H new ATOM 0 HZ PHE A 119 22.236 -10.985 -1.411 1.00 41.33 H new ATOM 958 N LEU A 120 19.610 -5.328 -1.152 1.00 44.44 N ATOM 959 CA LEU A 120 19.810 -5.078 -2.576 1.00 2.13 C ATOM 960 C LEU A 120 21.278 -4.792 -2.878 1.00 33.32 C ATOM 961 O LEU A 120 22.073 -5.713 -3.069 1.00 13.41 O ATOM 962 CB LEU A 120 18.945 -3.902 -3.034 1.00 22.33 C ATOM 963 CG LEU A 120 17.545 -4.255 -3.537 1.00 21.12 C ATOM 964 CD1 LEU A 120 16.668 -4.725 -2.387 1.00 75.32 C ATOM 965 CD2 LEU A 120 16.914 -3.061 -4.238 1.00 71.33 C ATOM 0 H LEU A 120 20.106 -4.683 -0.537 1.00 44.44 H new ATOM 0 HA LEU A 120 19.514 -5.974 -3.122 1.00 2.13 H new ATOM 0 HB2 LEU A 120 18.845 -3.205 -2.202 1.00 22.33 H new ATOM 0 HB3 LEU A 120 19.473 -3.376 -3.829 1.00 22.33 H new ATOM 0 HG LEU A 120 17.632 -5.069 -4.257 1.00 21.12 H new ATOM 0 HD11 LEU A 120 15.675 -4.972 -2.764 1.00 75.32 H new ATOM 0 HD12 LEU A 120 17.112 -5.608 -1.928 1.00 75.32 H new ATOM 0 HD13 LEU A 120 16.587 -3.932 -1.644 1.00 75.32 H new ATOM 0 HD21 LEU A 120 15.918 -3.330 -4.590 1.00 71.33 H new ATOM 0 HD22 LEU A 120 16.839 -2.227 -3.540 1.00 71.33 H new ATOM 0 HD23 LEU A 120 17.532 -2.769 -5.087 1.00 71.33 H new ATOM 977 N TRP A 121 21.630 -3.512 -2.917 1.00 72.42 N ATOM 978 CA TRP A 121 23.003 -3.106 -3.194 1.00 11.23 C ATOM 979 C TRP A 121 23.319 -1.770 -2.530 1.00 41.13 C ATOM 980 O TRP A 121 24.314 -1.123 -2.858 1.00 22.34 O ATOM 981 CB TRP A 121 23.233 -3.007 -4.703 1.00 23.14 C ATOM 982 CG TRP A 121 22.447 -1.909 -5.353 1.00 23.11 C ATOM 983 CD1 TRP A 121 21.517 -1.105 -4.759 1.00 50.31 C ATOM 984 CD2 TRP A 121 22.522 -1.497 -6.722 1.00 10.21 C ATOM 985 NE1 TRP A 121 21.009 -0.217 -5.677 1.00 32.03 N ATOM 986 CE2 TRP A 121 21.610 -0.436 -6.888 1.00 74.40 C ATOM 987 CE3 TRP A 121 23.272 -1.918 -7.823 1.00 60.40 C ATOM 988 CZ2 TRP A 121 21.428 0.205 -8.111 1.00 24.34 C ATOM 989 CZ3 TRP A 121 23.091 -1.281 -9.036 1.00 32.42 C ATOM 990 CH2 TRP A 121 22.176 -0.229 -9.172 1.00 12.23 C ATOM 0 H TRP A 121 20.984 -2.738 -2.760 1.00 72.42 H new ATOM 0 HA TRP A 121 23.670 -3.863 -2.781 1.00 11.23 H new ATOM 0 HB2 TRP A 121 24.294 -2.845 -4.892 1.00 23.14 H new ATOM 0 HB3 TRP A 121 22.968 -3.957 -5.167 1.00 23.14 H new ATOM 0 HD1 TRP A 121 21.224 -1.159 -3.721 1.00 50.31 H new ATOM 0 HE1 TRP A 121 20.299 0.491 -5.487 1.00 32.03 H new ATOM 0 HE3 TRP A 121 23.981 -2.727 -7.728 1.00 60.40 H new ATOM 0 HZ2 TRP A 121 20.722 1.015 -8.218 1.00 24.34 H new ATOM 0 HZ3 TRP A 121 23.665 -1.600 -9.894 1.00 32.42 H new ATOM 0 HH2 TRP A 121 22.058 0.249 -10.133 1.00 12.23 H new ATOM 1001 N VAL A 122 22.466 -1.361 -1.596 1.00 24.41 N ATOM 1002 CA VAL A 122 22.656 -0.103 -0.885 1.00 43.54 C ATOM 1003 C VAL A 122 22.485 -0.289 0.618 1.00 12.30 C ATOM 1004 O VAL A 122 23.119 0.401 1.416 1.00 2.13 O ATOM 1005 CB VAL A 122 21.668 0.973 -1.374 1.00 72.44 C ATOM 1006 CG1 VAL A 122 22.095 1.513 -2.731 1.00 15.34 C ATOM 1007 CG2 VAL A 122 20.256 0.409 -1.436 1.00 40.31 C ATOM 0 H VAL A 122 21.636 -1.883 -1.314 1.00 24.41 H new ATOM 0 HA VAL A 122 23.674 0.227 -1.093 1.00 43.54 H new ATOM 0 HB VAL A 122 21.675 1.799 -0.663 1.00 72.44 H new ATOM 0 HG11 VAL A 122 21.385 2.272 -3.060 1.00 15.34 H new ATOM 0 HG12 VAL A 122 23.088 1.955 -2.651 1.00 15.34 H new ATOM 0 HG13 VAL A 122 22.118 0.699 -3.456 1.00 15.34 H new ATOM 0 HG21 VAL A 122 19.570 1.182 -1.783 1.00 40.31 H new ATOM 0 HG22 VAL A 122 20.231 -0.435 -2.126 1.00 40.31 H new ATOM 0 HG23 VAL A 122 19.954 0.075 -0.443 1.00 40.31 H new ATOM 1017 N VAL A 123 21.623 -1.227 0.998 1.00 11.52 N ATOM 1018 CA VAL A 123 21.368 -1.505 2.406 1.00 25.55 C ATOM 1019 C VAL A 123 20.575 -2.796 2.576 1.00 24.45 C ATOM 1020 O VAL A 123 20.102 -3.381 1.602 1.00 43.35 O ATOM 1021 CB VAL A 123 20.600 -0.352 3.077 1.00 12.43 C ATOM 1022 CG1 VAL A 123 19.138 -0.367 2.656 1.00 23.42 C ATOM 1023 CG2 VAL A 123 20.728 -0.435 4.591 1.00 61.43 C ATOM 0 H VAL A 123 21.090 -1.807 0.350 1.00 11.52 H new ATOM 0 HA VAL A 123 22.340 -1.612 2.888 1.00 25.55 H new ATOM 0 HB VAL A 123 21.038 0.591 2.750 1.00 12.43 H new ATOM 0 HG11 VAL A 123 18.611 0.455 3.140 1.00 23.42 H new ATOM 0 HG12 VAL A 123 19.070 -0.254 1.574 1.00 23.42 H new ATOM 0 HG13 VAL A 123 18.684 -1.313 2.952 1.00 23.42 H new ATOM 0 HG21 VAL A 123 20.179 0.388 5.048 1.00 61.43 H new ATOM 0 HG22 VAL A 123 20.318 -1.383 4.939 1.00 61.43 H new ATOM 0 HG23 VAL A 123 21.779 -0.370 4.871 1.00 61.43 H new ATOM 1033 N LYS A 124 20.433 -3.237 3.822 1.00 70.01 N ATOM 1034 CA LYS A 124 19.695 -4.458 4.122 1.00 25.41 C ATOM 1035 C LYS A 124 18.899 -4.309 5.414 1.00 33.12 C ATOM 1036 O LYS A 124 19.192 -3.444 6.240 1.00 62.21 O ATOM 1037 CB LYS A 124 20.657 -5.644 4.237 1.00 14.23 C ATOM 1038 CG LYS A 124 21.674 -5.496 5.355 1.00 13.35 C ATOM 1039 CD LYS A 124 22.998 -6.147 4.994 1.00 2.04 C ATOM 1040 CE LYS A 124 23.036 -7.607 5.419 1.00 35.01 C ATOM 1041 NZ LYS A 124 24.140 -7.877 6.381 1.00 51.21 N ATOM 0 H LYS A 124 20.820 -2.766 4.640 1.00 70.01 H new ATOM 0 HA LYS A 124 18.997 -4.641 3.305 1.00 25.41 H new ATOM 0 HB2 LYS A 124 20.080 -6.554 4.400 1.00 14.23 H new ATOM 0 HB3 LYS A 124 21.185 -5.766 3.291 1.00 14.23 H new ATOM 0 HG2 LYS A 124 21.833 -4.438 5.566 1.00 13.35 H new ATOM 0 HG3 LYS A 124 21.282 -5.947 6.267 1.00 13.35 H new ATOM 0 HD2 LYS A 124 23.158 -6.076 3.918 1.00 2.04 H new ATOM 0 HD3 LYS A 124 23.813 -5.606 5.474 1.00 2.04 H new ATOM 0 HE2 LYS A 124 22.083 -7.877 5.875 1.00 35.01 H new ATOM 0 HE3 LYS A 124 23.159 -8.238 4.539 1.00 35.01 H new ATOM 0 HZ1 LYS A 124 24.132 -8.883 6.646 1.00 51.21 H new ATOM 0 HZ2 LYS A 124 25.051 -7.643 5.938 1.00 51.21 H new ATOM 0 HZ3 LYS A 124 24.009 -7.294 7.232 1.00 51.21 H new ATOM 1055 N PHE A 125 17.890 -5.158 5.584 1.00 64.13 N ATOM 1056 CA PHE A 125 17.052 -5.121 6.776 1.00 13.40 C ATOM 1057 C PHE A 125 16.431 -6.488 7.048 1.00 42.13 C ATOM 1058 O PHE A 125 16.617 -7.429 6.278 1.00 32.40 O ATOM 1059 CB PHE A 125 15.950 -4.070 6.618 1.00 61.53 C ATOM 1060 CG PHE A 125 16.448 -2.658 6.731 1.00 51.15 C ATOM 1061 CD1 PHE A 125 16.861 -2.150 7.952 1.00 74.30 C ATOM 1062 CD2 PHE A 125 16.504 -1.838 5.615 1.00 14.22 C ATOM 1063 CE1 PHE A 125 17.318 -0.851 8.059 1.00 42.45 C ATOM 1064 CE2 PHE A 125 16.961 -0.537 5.716 1.00 72.25 C ATOM 1065 CZ PHE A 125 17.370 -0.043 6.939 1.00 74.42 C ATOM 0 H PHE A 125 17.633 -5.880 4.911 1.00 64.13 H new ATOM 0 HA PHE A 125 17.682 -4.853 7.624 1.00 13.40 H new ATOM 0 HB2 PHE A 125 15.470 -4.201 5.648 1.00 61.53 H new ATOM 0 HB3 PHE A 125 15.186 -4.239 7.377 1.00 61.53 H new ATOM 0 HD1 PHE A 125 16.825 -2.777 8.831 1.00 74.30 H new ATOM 0 HD2 PHE A 125 16.187 -2.220 4.656 1.00 14.22 H new ATOM 0 HE1 PHE A 125 17.635 -0.467 9.017 1.00 42.45 H new ATOM 0 HE2 PHE A 125 16.998 0.092 4.839 1.00 72.25 H new ATOM 0 HZ PHE A 125 17.730 0.972 7.020 1.00 74.42 H new ATOM 1075 N ASN A 126 15.694 -6.588 8.149 1.00 31.20 N ATOM 1076 CA ASN A 126 15.047 -7.840 8.524 1.00 35.10 C ATOM 1077 C ASN A 126 13.749 -8.036 7.746 1.00 52.20 C ATOM 1078 O ASN A 126 13.487 -9.116 7.217 1.00 43.14 O ATOM 1079 CB ASN A 126 14.761 -7.861 10.027 1.00 1.40 C ATOM 1080 CG ASN A 126 15.803 -7.099 10.824 1.00 61.42 C ATOM 1081 OD1 ASN A 126 16.907 -7.593 11.055 1.00 72.31 O ATOM 1082 ND2 ASN A 126 15.456 -5.890 11.248 1.00 12.02 N ATOM 0 H ASN A 126 15.530 -5.818 8.797 1.00 31.20 H new ATOM 0 HA ASN A 126 15.725 -8.658 8.278 1.00 35.10 H new ATOM 0 HB2 ASN A 126 13.778 -7.429 10.213 1.00 1.40 H new ATOM 0 HB3 ASN A 126 14.726 -8.894 10.373 1.00 1.40 H new ATOM 0 HD21 ASN A 126 16.115 -5.330 11.789 1.00 12.02 H new ATOM 0 HD22 ASN A 126 14.530 -5.520 11.033 1.00 12.02 H new ATOM 1089 N SER A 127 12.940 -6.983 7.681 1.00 72.23 N ATOM 1090 CA SER A 127 11.668 -7.040 6.970 1.00 13.32 C ATOM 1091 C SER A 127 11.647 -6.046 5.813 1.00 2.40 C ATOM 1092 O SER A 127 12.575 -5.254 5.643 1.00 40.51 O ATOM 1093 CB SER A 127 10.511 -6.748 7.928 1.00 31.52 C ATOM 1094 OG SER A 127 10.252 -7.860 8.768 1.00 73.44 O ATOM 0 H SER A 127 13.143 -6.081 8.112 1.00 72.23 H new ATOM 0 HA SER A 127 11.551 -8.045 6.565 1.00 13.32 H new ATOM 0 HB2 SER A 127 10.750 -5.876 8.537 1.00 31.52 H new ATOM 0 HB3 SER A 127 9.615 -6.503 7.357 1.00 31.52 H new ATOM 0 HG SER A 127 9.510 -7.648 9.372 1.00 73.44 H new ATOM 1100 N LEU A 128 10.583 -6.093 5.020 1.00 53.03 N ATOM 1101 CA LEU A 128 10.439 -5.197 3.877 1.00 23.04 C ATOM 1102 C LEU A 128 10.089 -3.784 4.334 1.00 64.31 C ATOM 1103 O LEU A 128 10.630 -2.805 3.823 1.00 50.42 O ATOM 1104 CB LEU A 128 9.361 -5.720 2.926 1.00 2.34 C ATOM 1105 CG LEU A 128 9.767 -6.889 2.029 1.00 45.13 C ATOM 1106 CD1 LEU A 128 8.561 -7.429 1.276 1.00 0.35 C ATOM 1107 CD2 LEU A 128 10.857 -6.461 1.056 1.00 20.23 C ATOM 0 H LEU A 128 9.807 -6.742 5.147 1.00 53.03 H new ATOM 0 HA LEU A 128 11.393 -5.163 3.351 1.00 23.04 H new ATOM 0 HB2 LEU A 128 8.499 -6.026 3.519 1.00 2.34 H new ATOM 0 HB3 LEU A 128 9.035 -4.897 2.290 1.00 2.34 H new ATOM 0 HG LEU A 128 10.162 -7.685 2.660 1.00 45.13 H new ATOM 0 HD11 LEU A 128 8.870 -8.261 0.643 1.00 0.35 H new ATOM 0 HD12 LEU A 128 7.812 -7.774 1.989 1.00 0.35 H new ATOM 0 HD13 LEU A 128 8.136 -6.640 0.656 1.00 0.35 H new ATOM 0 HD21 LEU A 128 11.134 -7.306 0.425 1.00 20.23 H new ATOM 0 HD22 LEU A 128 10.488 -5.647 0.431 1.00 20.23 H new ATOM 0 HD23 LEU A 128 11.730 -6.123 1.614 1.00 20.23 H new ATOM 1119 N ASN A 129 9.183 -3.688 5.301 1.00 32.10 N ATOM 1120 CA ASN A 129 8.762 -2.395 5.828 1.00 12.01 C ATOM 1121 C ASN A 129 9.966 -1.496 6.090 1.00 44.03 C ATOM 1122 O ASN A 129 10.004 -0.348 5.648 1.00 75.10 O ATOM 1123 CB ASN A 129 7.962 -2.583 7.119 1.00 53.14 C ATOM 1124 CG ASN A 129 7.649 -1.266 7.802 1.00 40.30 C ATOM 1125 OD1 ASN A 129 7.693 -0.205 7.179 1.00 12.31 O ATOM 1126 ND2 ASN A 129 7.332 -1.328 9.090 1.00 75.31 N ATOM 0 H ASN A 129 8.726 -4.490 5.736 1.00 32.10 H new ATOM 0 HA ASN A 129 8.128 -1.916 5.082 1.00 12.01 H new ATOM 0 HB2 ASN A 129 7.031 -3.103 6.894 1.00 53.14 H new ATOM 0 HB3 ASN A 129 8.525 -3.219 7.803 1.00 53.14 H new ATOM 0 HD21 ASN A 129 7.113 -0.474 9.603 1.00 75.31 H new ATOM 0 HD22 ASN A 129 7.308 -2.230 9.566 1.00 75.31 H new ATOM 1133 N GLU A 130 10.949 -2.027 6.810 1.00 21.23 N ATOM 1134 CA GLU A 130 12.155 -1.272 7.131 1.00 71.34 C ATOM 1135 C GLU A 130 12.907 -0.885 5.861 1.00 44.32 C ATOM 1136 O GLU A 130 13.615 0.123 5.828 1.00 25.31 O ATOM 1137 CB GLU A 130 13.067 -2.090 8.048 1.00 51.05 C ATOM 1138 CG GLU A 130 12.879 -1.783 9.524 1.00 44.43 C ATOM 1139 CD GLU A 130 11.423 -1.812 9.945 1.00 21.34 C ATOM 1140 OE1 GLU A 130 10.798 -2.888 9.841 1.00 74.25 O ATOM 1141 OE2 GLU A 130 10.909 -0.761 10.380 1.00 41.42 O ATOM 0 H GLU A 130 10.934 -2.977 7.182 1.00 21.23 H new ATOM 0 HA GLU A 130 11.856 -0.360 7.648 1.00 71.34 H new ATOM 0 HB2 GLU A 130 12.881 -3.151 7.880 1.00 51.05 H new ATOM 0 HB3 GLU A 130 14.105 -1.902 7.776 1.00 51.05 H new ATOM 0 HG2 GLU A 130 13.439 -2.507 10.116 1.00 44.43 H new ATOM 0 HG3 GLU A 130 13.297 -0.801 9.743 1.00 44.43 H new ATOM 1148 N LEU A 131 12.750 -1.691 4.817 1.00 34.43 N ATOM 1149 CA LEU A 131 13.414 -1.434 3.544 1.00 30.52 C ATOM 1150 C LEU A 131 12.784 -0.242 2.832 1.00 10.43 C ATOM 1151 O LEU A 131 13.483 0.670 2.389 1.00 75.13 O ATOM 1152 CB LEU A 131 13.342 -2.673 2.650 1.00 72.23 C ATOM 1153 CG LEU A 131 14.653 -3.102 1.991 1.00 61.54 C ATOM 1154 CD1 LEU A 131 15.126 -4.432 2.558 1.00 15.02 C ATOM 1155 CD2 LEU A 131 14.486 -3.194 0.481 1.00 62.11 C ATOM 0 H LEU A 131 12.168 -2.529 4.827 1.00 34.43 H new ATOM 0 HA LEU A 131 14.459 -1.201 3.748 1.00 30.52 H new ATOM 0 HB2 LEU A 131 12.969 -3.506 3.246 1.00 72.23 H new ATOM 0 HB3 LEU A 131 12.608 -2.488 1.866 1.00 72.23 H new ATOM 0 HG LEU A 131 15.410 -2.348 2.208 1.00 61.54 H new ATOM 0 HD11 LEU A 131 16.060 -4.721 2.077 1.00 15.02 H new ATOM 0 HD12 LEU A 131 15.286 -4.334 3.632 1.00 15.02 H new ATOM 0 HD13 LEU A 131 14.371 -5.196 2.372 1.00 15.02 H new ATOM 0 HD21 LEU A 131 15.429 -3.501 0.029 1.00 62.11 H new ATOM 0 HD22 LEU A 131 13.715 -3.927 0.244 1.00 62.11 H new ATOM 0 HD23 LEU A 131 14.194 -2.220 0.087 1.00 62.11 H new ATOM 1167 N VAL A 132 11.459 -0.253 2.728 1.00 32.33 N ATOM 1168 CA VAL A 132 10.734 0.829 2.073 1.00 32.14 C ATOM 1169 C VAL A 132 10.906 2.142 2.829 1.00 64.13 C ATOM 1170 O VAL A 132 10.899 3.219 2.232 1.00 33.21 O ATOM 1171 CB VAL A 132 9.231 0.509 1.959 1.00 45.15 C ATOM 1172 CG1 VAL A 132 9.008 -0.682 1.039 1.00 33.14 C ATOM 1173 CG2 VAL A 132 8.635 0.251 3.334 1.00 24.01 C ATOM 0 H VAL A 132 10.866 -1.000 3.089 1.00 32.33 H new ATOM 0 HA VAL A 132 11.154 0.931 1.072 1.00 32.14 H new ATOM 0 HB VAL A 132 8.725 1.372 1.526 1.00 45.15 H new ATOM 0 HG11 VAL A 132 7.941 -0.894 0.970 1.00 33.14 H new ATOM 0 HG12 VAL A 132 9.397 -0.453 0.047 1.00 33.14 H new ATOM 0 HG13 VAL A 132 9.526 -1.553 1.440 1.00 33.14 H new ATOM 0 HG21 VAL A 132 7.573 0.027 3.234 1.00 24.01 H new ATOM 0 HG22 VAL A 132 9.142 -0.595 3.798 1.00 24.01 H new ATOM 0 HG23 VAL A 132 8.762 1.136 3.957 1.00 24.01 H new ATOM 1183 N ASP A 133 11.062 2.045 4.144 1.00 23.14 N ATOM 1184 CA ASP A 133 11.239 3.225 4.982 1.00 13.35 C ATOM 1185 C ASP A 133 12.565 3.914 4.679 1.00 44.25 C ATOM 1186 O ASP A 133 12.616 5.129 4.487 1.00 51.42 O ATOM 1187 CB ASP A 133 11.177 2.841 6.461 1.00 34.35 C ATOM 1188 CG ASP A 133 10.300 3.779 7.267 1.00 5.54 C ATOM 1189 OD1 ASP A 133 9.063 3.616 7.230 1.00 72.44 O ATOM 1190 OD2 ASP A 133 10.852 4.677 7.937 1.00 44.42 O ATOM 0 H ASP A 133 11.070 1.161 4.653 1.00 23.14 H new ATOM 0 HA ASP A 133 10.430 3.921 4.761 1.00 13.35 H new ATOM 0 HB2 ASP A 133 10.797 1.824 6.553 1.00 34.35 H new ATOM 0 HB3 ASP A 133 12.185 2.844 6.877 1.00 34.35 H new ATOM 1195 N TYR A 134 13.637 3.131 4.637 1.00 21.52 N ATOM 1196 CA TYR A 134 14.965 3.665 4.360 1.00 11.42 C ATOM 1197 C TYR A 134 15.108 4.031 2.886 1.00 3.41 C ATOM 1198 O TYR A 134 15.805 4.985 2.536 1.00 71.53 O ATOM 1199 CB TYR A 134 16.039 2.649 4.752 1.00 50.13 C ATOM 1200 CG TYR A 134 17.445 3.204 4.701 1.00 33.11 C ATOM 1201 CD1 TYR A 134 18.138 3.285 3.500 1.00 62.50 C ATOM 1202 CD2 TYR A 134 18.079 3.648 5.855 1.00 51.42 C ATOM 1203 CE1 TYR A 134 19.423 3.790 3.449 1.00 32.14 C ATOM 1204 CE2 TYR A 134 19.363 4.157 5.813 1.00 32.45 C ATOM 1205 CZ TYR A 134 20.031 4.225 4.609 1.00 73.24 C ATOM 1206 OH TYR A 134 21.310 4.730 4.562 1.00 12.22 O ATOM 0 H TYR A 134 13.612 2.123 4.791 1.00 21.52 H new ATOM 0 HA TYR A 134 15.096 4.569 4.955 1.00 11.42 H new ATOM 0 HB2 TYR A 134 15.836 2.289 5.761 1.00 50.13 H new ATOM 0 HB3 TYR A 134 15.973 1.788 4.087 1.00 50.13 H new ATOM 0 HD1 TYR A 134 17.664 2.947 2.590 1.00 62.50 H new ATOM 0 HD2 TYR A 134 17.560 3.594 6.800 1.00 51.42 H new ATOM 0 HE1 TYR A 134 19.948 3.844 2.507 1.00 32.14 H new ATOM 0 HE2 TYR A 134 19.841 4.500 6.719 1.00 32.45 H new ATOM 0 HH TYR A 134 21.591 4.993 5.463 1.00 12.22 H new ATOM 1216 N HIS A 135 14.443 3.267 2.026 1.00 60.21 N ATOM 1217 CA HIS A 135 14.494 3.510 0.589 1.00 42.03 C ATOM 1218 C HIS A 135 13.720 4.773 0.224 1.00 44.34 C ATOM 1219 O HIS A 135 14.123 5.525 -0.664 1.00 65.24 O ATOM 1220 CB HIS A 135 13.926 2.312 -0.173 1.00 45.12 C ATOM 1221 CG HIS A 135 14.976 1.369 -0.675 1.00 23.04 C ATOM 1222 ND1 HIS A 135 14.794 0.003 -0.735 1.00 5.50 N ATOM 1223 CD2 HIS A 135 16.225 1.602 -1.142 1.00 70.25 C ATOM 1224 CE1 HIS A 135 15.886 -0.563 -1.217 1.00 24.15 C ATOM 1225 NE2 HIS A 135 16.770 0.385 -1.472 1.00 54.14 N ATOM 0 H HIS A 135 13.862 2.474 2.299 1.00 60.21 H new ATOM 0 HA HIS A 135 15.537 3.650 0.306 1.00 42.03 H new ATOM 0 HB2 HIS A 135 13.243 1.768 0.479 1.00 45.12 H new ATOM 0 HB3 HIS A 135 13.340 2.674 -1.018 1.00 45.12 H new ATOM 0 HD2 HIS A 135 16.704 2.565 -1.237 1.00 70.25 H new ATOM 0 HE1 HIS A 135 16.031 -1.621 -1.376 1.00 24.15 H new ATOM 0 HE2 HIS A 135 17.705 0.237 -1.852 1.00 54.14 H new ATOM 1233 N ARG A 136 12.607 5.000 0.914 1.00 65.13 N ATOM 1234 CA ARG A 136 11.777 6.171 0.660 1.00 35.25 C ATOM 1235 C ARG A 136 12.418 7.428 1.239 1.00 4.42 C ATOM 1236 O ARG A 136 12.220 8.530 0.727 1.00 3.24 O ATOM 1237 CB ARG A 136 10.384 5.974 1.261 1.00 35.42 C ATOM 1238 CG ARG A 136 10.354 6.074 2.777 1.00 3.35 C ATOM 1239 CD ARG A 136 8.929 6.142 3.304 1.00 42.11 C ATOM 1240 NE ARG A 136 8.209 7.303 2.787 1.00 64.22 N ATOM 1241 CZ ARG A 136 7.535 7.299 1.642 1.00 4.51 C ATOM 1242 NH1 ARG A 136 7.489 6.202 0.899 1.00 10.15 N ATOM 1243 NH2 ARG A 136 6.906 8.395 1.238 1.00 15.44 N ATOM 0 H ARG A 136 12.260 4.389 1.653 1.00 65.13 H new ATOM 0 HA ARG A 136 11.687 6.294 -0.419 1.00 35.25 H new ATOM 0 HB2 ARG A 136 9.709 6.720 0.843 1.00 35.42 H new ATOM 0 HB3 ARG A 136 10.004 4.997 0.962 1.00 35.42 H new ATOM 0 HG2 ARG A 136 10.862 5.212 3.209 1.00 3.35 H new ATOM 0 HG3 ARG A 136 10.903 6.960 3.095 1.00 3.35 H new ATOM 0 HD2 ARG A 136 8.396 5.232 3.027 1.00 42.11 H new ATOM 0 HD3 ARG A 136 8.947 6.182 4.393 1.00 42.11 H new ATOM 0 HE ARG A 136 8.224 8.163 3.335 1.00 64.22 H new ATOM 0 HH11 ARG A 136 7.972 5.358 1.206 1.00 10.15 H new ATOM 0 HH12 ARG A 136 6.971 6.202 0.021 1.00 10.15 H new ATOM 0 HH21 ARG A 136 6.940 9.241 1.806 1.00 15.44 H new ATOM 0 HH22 ARG A 136 6.389 8.391 0.359 1.00 15.44 H new ATOM 1257 N SER A 137 13.187 7.255 2.309 1.00 4.24 N ATOM 1258 CA SER A 137 13.855 8.376 2.961 1.00 52.34 C ATOM 1259 C SER A 137 15.214 8.645 2.321 1.00 13.41 C ATOM 1260 O SER A 137 15.801 9.712 2.507 1.00 22.42 O ATOM 1261 CB SER A 137 14.028 8.096 4.455 1.00 41.14 C ATOM 1262 OG SER A 137 13.314 9.038 5.236 1.00 4.33 O ATOM 0 H SER A 137 13.363 6.349 2.743 1.00 4.24 H new ATOM 0 HA SER A 137 13.232 9.261 2.835 1.00 52.34 H new ATOM 0 HB2 SER A 137 13.677 7.089 4.683 1.00 41.14 H new ATOM 0 HB3 SER A 137 15.086 8.131 4.715 1.00 41.14 H new ATOM 0 HG SER A 137 13.439 8.836 6.187 1.00 4.33 H new ATOM 1268 N THR A 138 15.709 7.670 1.566 1.00 73.15 N ATOM 1269 CA THR A 138 16.998 7.799 0.899 1.00 42.12 C ATOM 1270 C THR A 138 16.846 7.706 -0.615 1.00 63.41 C ATOM 1271 O THR A 138 15.915 7.077 -1.117 1.00 55.33 O ATOM 1272 CB THR A 138 17.986 6.716 1.372 1.00 3.31 C ATOM 1273 OG1 THR A 138 19.331 7.189 1.239 1.00 5.05 O ATOM 1274 CG2 THR A 138 17.812 5.436 0.569 1.00 12.20 C ATOM 0 H THR A 138 15.236 6.781 1.401 1.00 73.15 H new ATOM 0 HA THR A 138 17.393 8.780 1.162 1.00 42.12 H new ATOM 0 HB THR A 138 17.779 6.499 2.420 1.00 3.31 H new ATOM 0 HG1 THR A 138 19.953 6.496 1.543 1.00 5.05 H new ATOM 0 HG21 THR A 138 18.520 4.686 0.921 1.00 12.20 H new ATOM 0 HG22 THR A 138 16.796 5.063 0.695 1.00 12.20 H new ATOM 0 HG23 THR A 138 17.995 5.641 -0.486 1.00 12.20 H new ATOM 1282 N SER A 139 17.768 8.334 -1.338 1.00 22.13 N ATOM 1283 CA SER A 139 17.735 8.324 -2.795 1.00 75.25 C ATOM 1284 C SER A 139 17.538 6.906 -3.325 1.00 2.35 C ATOM 1285 O SER A 139 17.781 5.928 -2.618 1.00 2.14 O ATOM 1286 CB SER A 139 19.027 8.917 -3.361 1.00 34.24 C ATOM 1287 OG SER A 139 20.152 8.144 -2.980 1.00 12.13 O ATOM 0 H SER A 139 18.547 8.856 -0.938 1.00 22.13 H new ATOM 0 HA SER A 139 16.892 8.935 -3.118 1.00 75.25 H new ATOM 0 HB2 SER A 139 18.964 8.963 -4.448 1.00 34.24 H new ATOM 0 HB3 SER A 139 19.148 9.940 -3.006 1.00 34.24 H new ATOM 0 HG SER A 139 20.965 8.542 -3.355 1.00 12.13 H new ATOM 1293 N VAL A 140 17.096 6.804 -4.574 1.00 63.30 N ATOM 1294 CA VAL A 140 16.868 5.507 -5.200 1.00 34.10 C ATOM 1295 C VAL A 140 17.253 5.533 -6.675 1.00 14.12 C ATOM 1296 O VAL A 140 17.770 4.552 -7.210 1.00 13.35 O ATOM 1297 CB VAL A 140 15.395 5.074 -5.073 1.00 10.13 C ATOM 1298 CG1 VAL A 140 15.039 4.814 -3.617 1.00 74.20 C ATOM 1299 CG2 VAL A 140 14.477 6.127 -5.675 1.00 33.20 C ATOM 0 H VAL A 140 16.889 7.604 -5.172 1.00 63.30 H new ATOM 0 HA VAL A 140 17.497 4.788 -4.676 1.00 34.10 H new ATOM 0 HB VAL A 140 15.258 4.145 -5.627 1.00 10.13 H new ATOM 0 HG11 VAL A 140 13.995 4.509 -3.547 1.00 74.20 H new ATOM 0 HG12 VAL A 140 15.676 4.022 -3.223 1.00 74.20 H new ATOM 0 HG13 VAL A 140 15.191 5.724 -3.037 1.00 74.20 H new ATOM 0 HG21 VAL A 140 13.440 5.805 -5.577 1.00 33.20 H new ATOM 0 HG22 VAL A 140 14.615 7.072 -5.150 1.00 33.20 H new ATOM 0 HG23 VAL A 140 14.717 6.259 -6.730 1.00 33.20 H new ATOM 1309 N SER A 141 16.997 6.663 -7.327 1.00 64.55 N ATOM 1310 CA SER A 141 17.314 6.816 -8.743 1.00 2.15 C ATOM 1311 C SER A 141 18.765 7.249 -8.931 1.00 10.15 C ATOM 1312 O SER A 141 19.238 8.176 -8.272 1.00 71.32 O ATOM 1313 CB SER A 141 16.377 7.838 -9.389 1.00 1.33 C ATOM 1314 OG SER A 141 15.710 7.282 -10.508 1.00 51.24 O ATOM 0 H SER A 141 16.572 7.485 -6.898 1.00 64.55 H new ATOM 0 HA SER A 141 17.176 5.850 -9.228 1.00 2.15 H new ATOM 0 HB2 SER A 141 15.644 8.178 -8.657 1.00 1.33 H new ATOM 0 HB3 SER A 141 16.947 8.713 -9.700 1.00 1.33 H new ATOM 0 HG SER A 141 14.811 6.996 -10.244 1.00 51.24 H new ATOM 1320 N ARG A 142 19.466 6.571 -9.834 1.00 12.43 N ATOM 1321 CA ARG A 142 20.863 6.884 -10.108 1.00 41.34 C ATOM 1322 C ARG A 142 20.978 7.950 -11.194 1.00 2.51 C ATOM 1323 O ARG A 142 22.010 8.071 -11.852 1.00 64.13 O ATOM 1324 CB ARG A 142 21.616 5.623 -10.536 1.00 32.13 C ATOM 1325 CG ARG A 142 21.445 4.457 -9.576 1.00 32.03 C ATOM 1326 CD ARG A 142 22.543 3.421 -9.756 1.00 61.12 C ATOM 1327 NE ARG A 142 22.423 2.712 -11.027 1.00 71.42 N ATOM 1328 CZ ARG A 142 23.366 1.913 -11.515 1.00 75.11 C ATOM 1329 NH1 ARG A 142 24.492 1.722 -10.842 1.00 14.54 N ATOM 1330 NH2 ARG A 142 23.182 1.302 -12.679 1.00 4.22 N ATOM 0 H ARG A 142 19.089 5.802 -10.388 1.00 12.43 H new ATOM 0 HA ARG A 142 21.309 7.272 -9.192 1.00 41.34 H new ATOM 0 HB2 ARG A 142 21.271 5.322 -11.525 1.00 32.13 H new ATOM 0 HB3 ARG A 142 22.677 5.856 -10.626 1.00 32.13 H new ATOM 0 HG2 ARG A 142 21.455 4.825 -8.550 1.00 32.03 H new ATOM 0 HG3 ARG A 142 20.473 3.991 -9.738 1.00 32.03 H new ATOM 0 HD2 ARG A 142 23.515 3.911 -9.704 1.00 61.12 H new ATOM 0 HD3 ARG A 142 22.503 2.704 -8.936 1.00 61.12 H new ATOM 0 HE ARG A 142 21.569 2.837 -11.570 1.00 71.42 H new ATOM 0 HH11 ARG A 142 24.637 2.189 -9.947 1.00 14.54 H new ATOM 0 HH12 ARG A 142 25.214 1.108 -11.219 1.00 14.54 H new ATOM 0 HH21 ARG A 142 22.316 1.446 -13.199 1.00 4.22 H new ATOM 0 HH22 ARG A 142 23.906 0.689 -13.053 1.00 4.22 H new ATOM 1344 N ASN A 143 19.911 8.721 -11.375 1.00 13.33 N ATOM 1345 CA ASN A 143 19.892 9.777 -12.381 1.00 34.30 C ATOM 1346 C ASN A 143 19.499 11.114 -11.760 1.00 22.24 C ATOM 1347 O ASN A 143 20.191 12.116 -11.934 1.00 1.51 O ATOM 1348 CB ASN A 143 18.918 9.419 -13.506 1.00 45.53 C ATOM 1349 CG ASN A 143 19.605 9.320 -14.855 1.00 24.54 C ATOM 1350 OD1 ASN A 143 19.657 8.249 -15.460 1.00 21.55 O ATOM 1351 ND2 ASN A 143 20.137 10.439 -15.332 1.00 25.22 N ATOM 0 H ASN A 143 19.048 8.635 -10.838 1.00 13.33 H new ATOM 0 HA ASN A 143 20.897 9.870 -12.793 1.00 34.30 H new ATOM 0 HB2 ASN A 143 18.435 8.469 -13.276 1.00 45.53 H new ATOM 0 HB3 ASN A 143 18.132 10.172 -13.556 1.00 45.53 H new ATOM 0 HD21 ASN A 143 20.613 10.433 -16.234 1.00 25.22 H new ATOM 0 HD22 ASN A 143 20.070 11.304 -14.796 1.00 25.22 H new ATOM 1358 N GLN A 144 18.385 11.119 -11.034 1.00 65.14 N ATOM 1359 CA GLN A 144 17.901 12.333 -10.387 1.00 64.43 C ATOM 1360 C GLN A 144 17.701 12.110 -8.892 1.00 24.41 C ATOM 1361 O GLN A 144 18.030 11.047 -8.365 1.00 11.34 O ATOM 1362 CB GLN A 144 16.589 12.788 -11.027 1.00 52.21 C ATOM 1363 CG GLN A 144 16.760 13.920 -12.028 1.00 23.42 C ATOM 1364 CD GLN A 144 16.889 13.423 -13.454 1.00 73.32 C ATOM 1365 OE1 GLN A 144 16.794 12.223 -13.717 1.00 54.50 O ATOM 1366 NE2 GLN A 144 17.106 14.344 -14.385 1.00 50.32 N ATOM 0 H GLN A 144 17.801 10.297 -10.879 1.00 65.14 H new ATOM 0 HA GLN A 144 18.652 13.111 -10.522 1.00 64.43 H new ATOM 0 HB2 GLN A 144 16.125 11.938 -11.528 1.00 52.21 H new ATOM 0 HB3 GLN A 144 15.904 13.109 -10.242 1.00 52.21 H new ATOM 0 HG2 GLN A 144 15.906 14.594 -11.958 1.00 23.42 H new ATOM 0 HG3 GLN A 144 17.646 14.499 -11.768 1.00 23.42 H new ATOM 0 HE21 GLN A 144 17.178 15.327 -14.123 1.00 50.32 H new ATOM 0 HE22 GLN A 144 17.201 14.069 -15.363 1.00 50.32 H new ATOM 1375 N GLN A 145 17.161 13.118 -8.215 1.00 62.02 N ATOM 1376 CA GLN A 145 16.919 13.031 -6.780 1.00 51.30 C ATOM 1377 C GLN A 145 15.428 12.906 -6.486 1.00 75.14 C ATOM 1378 O GLN A 145 14.743 13.905 -6.261 1.00 65.31 O ATOM 1379 CB GLN A 145 17.489 14.260 -6.070 1.00 51.40 C ATOM 1380 CG GLN A 145 18.763 13.977 -5.291 1.00 31.53 C ATOM 1381 CD GLN A 145 19.192 15.147 -4.428 1.00 64.21 C ATOM 1382 OE1 GLN A 145 18.528 16.183 -4.391 1.00 74.41 O ATOM 1383 NE2 GLN A 145 20.309 14.988 -3.728 1.00 24.12 N ATOM 0 H GLN A 145 16.883 14.004 -8.637 1.00 62.02 H new ATOM 0 HA GLN A 145 17.421 12.138 -6.406 1.00 51.30 H new ATOM 0 HB2 GLN A 145 17.690 15.036 -6.809 1.00 51.40 H new ATOM 0 HB3 GLN A 145 16.737 14.657 -5.388 1.00 51.40 H new ATOM 0 HG2 GLN A 145 18.611 13.101 -4.660 1.00 31.53 H new ATOM 0 HG3 GLN A 145 19.564 13.732 -5.989 1.00 31.53 H new ATOM 0 HE21 GLN A 145 20.828 14.112 -3.788 1.00 24.12 H new ATOM 0 HE22 GLN A 145 20.648 15.742 -3.130 1.00 24.12 H new ATOM 1392 N ILE A 146 14.930 11.674 -6.491 1.00 63.30 N ATOM 1393 CA ILE A 146 13.520 11.419 -6.224 1.00 62.44 C ATOM 1394 C ILE A 146 13.348 10.424 -5.082 1.00 20.25 C ATOM 1395 O ILE A 146 14.200 9.563 -4.859 1.00 43.53 O ATOM 1396 CB ILE A 146 12.800 10.878 -7.474 1.00 31.34 C ATOM 1397 CG1 ILE A 146 13.157 11.721 -8.700 1.00 35.33 C ATOM 1398 CG2 ILE A 146 11.295 10.864 -7.253 1.00 13.31 C ATOM 1399 CD1 ILE A 146 12.595 11.174 -9.993 1.00 70.53 C ATOM 0 H ILE A 146 15.482 10.837 -6.677 1.00 63.30 H new ATOM 0 HA ILE A 146 13.074 12.373 -5.942 1.00 62.44 H new ATOM 0 HB ILE A 146 13.131 9.855 -7.652 1.00 31.34 H new ATOM 0 HG12 ILE A 146 12.788 12.736 -8.553 1.00 35.33 H new ATOM 0 HG13 ILE A 146 14.242 11.786 -8.783 1.00 35.33 H new ATOM 0 HG21 ILE A 146 10.800 10.479 -8.145 1.00 13.31 H new ATOM 0 HG22 ILE A 146 11.058 10.225 -6.402 1.00 13.31 H new ATOM 0 HG23 ILE A 146 10.947 11.878 -7.054 1.00 13.31 H new ATOM 0 HD11 ILE A 146 12.887 11.822 -10.820 1.00 70.53 H new ATOM 0 HD12 ILE A 146 12.984 10.170 -10.163 1.00 70.53 H new ATOM 0 HD13 ILE A 146 11.508 11.135 -9.930 1.00 70.53 H new ATOM 1411 N PHE A 147 12.239 10.546 -4.360 1.00 12.21 N ATOM 1412 CA PHE A 147 11.954 9.657 -3.240 1.00 14.23 C ATOM 1413 C PHE A 147 10.714 8.812 -3.518 1.00 63.34 C ATOM 1414 O PHE A 147 9.893 9.155 -4.370 1.00 63.43 O ATOM 1415 CB PHE A 147 11.755 10.467 -1.957 1.00 34.44 C ATOM 1416 CG PHE A 147 12.970 11.247 -1.545 1.00 65.34 C ATOM 1417 CD1 PHE A 147 14.235 10.690 -1.650 1.00 41.55 C ATOM 1418 CD2 PHE A 147 12.849 12.536 -1.053 1.00 54.22 C ATOM 1419 CE1 PHE A 147 15.356 11.406 -1.273 1.00 61.23 C ATOM 1420 CE2 PHE A 147 13.966 13.256 -0.675 1.00 11.40 C ATOM 1421 CZ PHE A 147 15.221 12.690 -0.784 1.00 0.11 C ATOM 0 H PHE A 147 11.523 11.252 -4.531 1.00 12.21 H new ATOM 0 HA PHE A 147 12.806 8.989 -3.112 1.00 14.23 H new ATOM 0 HB2 PHE A 147 10.922 11.155 -2.097 1.00 34.44 H new ATOM 0 HB3 PHE A 147 11.477 9.790 -1.149 1.00 34.44 H new ATOM 0 HD1 PHE A 147 14.346 9.685 -2.031 1.00 41.55 H new ATOM 0 HD2 PHE A 147 11.870 12.984 -0.964 1.00 54.22 H new ATOM 0 HE1 PHE A 147 16.336 10.961 -1.361 1.00 61.23 H new ATOM 0 HE2 PHE A 147 13.858 14.261 -0.294 1.00 11.40 H new ATOM 0 HZ PHE A 147 16.095 13.251 -0.487 1.00 0.11 H new ATOM 1431 N LEU A 148 10.586 7.705 -2.795 1.00 71.10 N ATOM 1432 CA LEU A 148 9.447 6.809 -2.964 1.00 23.45 C ATOM 1433 C LEU A 148 8.178 7.426 -2.386 1.00 11.14 C ATOM 1434 O LEU A 148 8.029 7.538 -1.169 1.00 35.33 O ATOM 1435 CB LEU A 148 9.727 5.464 -2.289 1.00 0.51 C ATOM 1436 CG LEU A 148 11.036 4.777 -2.680 1.00 35.31 C ATOM 1437 CD1 LEU A 148 11.245 3.518 -1.852 1.00 41.31 C ATOM 1438 CD2 LEU A 148 11.042 4.447 -4.165 1.00 53.25 C ATOM 0 H LEU A 148 11.256 7.406 -2.087 1.00 71.10 H new ATOM 0 HA LEU A 148 9.297 6.649 -4.032 1.00 23.45 H new ATOM 0 HB2 LEU A 148 9.727 5.615 -1.210 1.00 0.51 H new ATOM 0 HB3 LEU A 148 8.903 4.788 -2.516 1.00 0.51 H new ATOM 0 HG LEU A 148 11.859 5.462 -2.477 1.00 35.31 H new ATOM 0 HD11 LEU A 148 12.181 3.042 -2.144 1.00 41.31 H new ATOM 0 HD12 LEU A 148 11.285 3.780 -0.795 1.00 41.31 H new ATOM 0 HD13 LEU A 148 10.419 2.828 -2.024 1.00 41.31 H new ATOM 0 HD21 LEU A 148 11.981 3.959 -4.425 1.00 53.25 H new ATOM 0 HD22 LEU A 148 10.211 3.780 -4.393 1.00 53.25 H new ATOM 0 HD23 LEU A 148 10.939 5.366 -4.742 1.00 53.25 H new ATOM 1450 N ARG A 149 7.266 7.824 -3.266 1.00 74.34 N ATOM 1451 CA ARG A 149 6.008 8.429 -2.844 1.00 23.13 C ATOM 1452 C ARG A 149 5.037 7.367 -2.338 1.00 33.33 C ATOM 1453 O ARG A 149 4.887 6.307 -2.947 1.00 1.31 O ATOM 1454 CB ARG A 149 5.376 9.204 -4.001 1.00 61.23 C ATOM 1455 CG ARG A 149 6.005 10.567 -4.237 1.00 45.03 C ATOM 1456 CD ARG A 149 5.733 11.515 -3.080 1.00 35.42 C ATOM 1457 NE ARG A 149 6.949 12.176 -2.615 1.00 70.22 N ATOM 1458 CZ ARG A 149 6.968 13.083 -1.645 1.00 54.32 C ATOM 1459 NH1 ARG A 149 5.841 13.435 -1.040 1.00 44.13 N ATOM 1460 NH2 ARG A 149 8.115 13.640 -1.278 1.00 54.42 N ATOM 0 H ARG A 149 7.374 7.739 -4.277 1.00 74.34 H new ATOM 0 HA ARG A 149 6.222 9.119 -2.028 1.00 23.13 H new ATOM 0 HB2 ARG A 149 5.460 8.612 -4.912 1.00 61.23 H new ATOM 0 HB3 ARG A 149 4.312 9.334 -3.802 1.00 61.23 H new ATOM 0 HG2 ARG A 149 7.081 10.454 -4.371 1.00 45.03 H new ATOM 0 HG3 ARG A 149 5.612 10.995 -5.159 1.00 45.03 H new ATOM 0 HD2 ARG A 149 5.008 12.267 -3.391 1.00 35.42 H new ATOM 0 HD3 ARG A 149 5.284 10.961 -2.256 1.00 35.42 H new ATOM 0 HE ARG A 149 7.833 11.927 -3.060 1.00 70.22 H new ATOM 0 HH11 ARG A 149 4.957 13.009 -1.320 1.00 44.13 H new ATOM 0 HH12 ARG A 149 5.858 14.132 -0.295 1.00 44.13 H new ATOM 0 HH21 ARG A 149 8.983 13.372 -1.741 1.00 54.42 H new ATOM 0 HH22 ARG A 149 8.128 14.336 -0.533 1.00 54.42 H new ATOM 1474 N ASP A 150 4.380 7.658 -1.220 1.00 74.45 N ATOM 1475 CA ASP A 150 3.422 6.728 -0.633 1.00 11.24 C ATOM 1476 C ASP A 150 2.283 6.434 -1.604 1.00 64.04 C ATOM 1477 O ASP A 150 1.482 7.313 -1.921 1.00 15.35 O ATOM 1478 CB ASP A 150 2.861 7.297 0.672 1.00 44.22 C ATOM 1479 CG ASP A 150 2.951 6.311 1.819 1.00 33.44 C ATOM 1480 OD1 ASP A 150 2.141 5.361 1.849 1.00 71.41 O ATOM 1481 OD2 ASP A 150 3.830 6.489 2.689 1.00 72.14 O ATOM 0 H ASP A 150 4.493 8.530 -0.703 1.00 74.45 H new ATOM 0 HA ASP A 150 3.944 5.795 -0.420 1.00 11.24 H new ATOM 0 HB2 ASP A 150 3.406 8.204 0.933 1.00 44.22 H new ATOM 0 HB3 ASP A 150 1.820 7.582 0.523 1.00 44.22 H new ATOM 1486 N ILE A 151 2.220 5.193 -2.075 1.00 40.11 N ATOM 1487 CA ILE A 151 1.180 4.784 -3.011 1.00 30.33 C ATOM 1488 C ILE A 151 -0.157 4.601 -2.301 1.00 31.53 C ATOM 1489 O ILE A 151 -0.203 4.206 -1.136 1.00 71.43 O ATOM 1490 CB ILE A 151 1.552 3.472 -3.727 1.00 52.23 C ATOM 1491 CG1 ILE A 151 0.845 3.388 -5.082 1.00 24.41 C ATOM 1492 CG2 ILE A 151 1.192 2.275 -2.861 1.00 23.34 C ATOM 1493 CD1 ILE A 151 1.060 2.071 -5.794 1.00 62.52 C ATOM 0 H ILE A 151 2.876 4.454 -1.824 1.00 40.11 H new ATOM 0 HA ILE A 151 1.090 5.579 -3.751 1.00 30.33 H new ATOM 0 HB ILE A 151 2.628 3.461 -3.898 1.00 52.23 H new ATOM 0 HG12 ILE A 151 -0.224 3.542 -4.935 1.00 24.41 H new ATOM 0 HG13 ILE A 151 1.200 4.198 -5.719 1.00 24.41 H new ATOM 0 HG21 ILE A 151 1.461 1.356 -3.381 1.00 23.34 H new ATOM 0 HG22 ILE A 151 1.736 2.331 -1.918 1.00 23.34 H new ATOM 0 HG23 ILE A 151 0.120 2.279 -2.662 1.00 23.34 H new ATOM 0 HD11 ILE A 151 0.531 2.082 -6.747 1.00 62.52 H new ATOM 0 HD12 ILE A 151 2.125 1.923 -5.972 1.00 62.52 H new ATOM 0 HD13 ILE A 151 0.679 1.257 -5.177 1.00 62.52 H new ATOM 1505 N GLU A 152 -1.243 4.889 -3.012 1.00 22.34 N ATOM 1506 CA GLU A 152 -2.581 4.754 -2.449 1.00 13.52 C ATOM 1507 C GLU A 152 -3.119 3.341 -2.655 1.00 0.30 C ATOM 1508 O GLU A 152 -3.783 3.059 -3.652 1.00 21.21 O ATOM 1509 CB GLU A 152 -3.531 5.771 -3.086 1.00 1.21 C ATOM 1510 CG GLU A 152 -3.546 7.116 -2.379 1.00 33.03 C ATOM 1511 CD GLU A 152 -4.821 7.895 -2.635 1.00 54.53 C ATOM 1512 OE1 GLU A 152 -5.870 7.522 -2.069 1.00 62.15 O ATOM 1513 OE2 GLU A 152 -4.770 8.880 -3.402 1.00 61.24 O ATOM 0 H GLU A 152 -1.222 5.217 -3.978 1.00 22.34 H new ATOM 0 HA GLU A 152 -2.518 4.947 -1.378 1.00 13.52 H new ATOM 0 HB2 GLU A 152 -3.245 5.920 -4.127 1.00 1.21 H new ATOM 0 HB3 GLU A 152 -4.541 5.360 -3.089 1.00 1.21 H new ATOM 0 HG2 GLU A 152 -3.429 6.960 -1.307 1.00 33.03 H new ATOM 0 HG3 GLU A 152 -2.691 7.706 -2.710 1.00 33.03 H new ATOM 1520 N GLN A 153 -2.826 2.459 -1.705 1.00 72.33 N ATOM 1521 CA GLN A 153 -3.279 1.075 -1.783 1.00 61.14 C ATOM 1522 C GLN A 153 -4.752 1.005 -2.170 1.00 55.22 C ATOM 1523 O GLN A 153 -5.534 1.898 -1.841 1.00 72.45 O ATOM 1524 CB GLN A 153 -3.056 0.367 -0.446 1.00 15.13 C ATOM 1525 CG GLN A 153 -3.366 -1.121 -0.486 1.00 1.33 C ATOM 1526 CD GLN A 153 -2.207 -1.944 -1.012 1.00 3.14 C ATOM 1527 OE1 GLN A 153 -1.233 -2.192 -0.300 1.00 2.50 O ATOM 1528 NE2 GLN A 153 -2.305 -2.373 -2.264 1.00 75.52 N ATOM 0 H GLN A 153 -2.278 2.678 -0.873 1.00 72.33 H new ATOM 0 HA GLN A 153 -2.696 0.571 -2.554 1.00 61.14 H new ATOM 0 HB2 GLN A 153 -2.019 0.505 -0.140 1.00 15.13 H new ATOM 0 HB3 GLN A 153 -3.679 0.839 0.314 1.00 15.13 H new ATOM 0 HG2 GLN A 153 -3.623 -1.462 0.517 1.00 1.33 H new ATOM 0 HG3 GLN A 153 -4.241 -1.289 -1.114 1.00 1.33 H new ATOM 0 HE21 GLN A 153 -3.130 -2.144 -2.818 1.00 75.52 H new ATOM 0 HE22 GLN A 153 -1.555 -2.932 -2.672 1.00 75.52 H new ATOM 1537 N VAL A 154 -5.126 -0.061 -2.871 1.00 45.00 N ATOM 1538 CA VAL A 154 -6.506 -0.248 -3.302 1.00 43.33 C ATOM 1539 C VAL A 154 -7.484 0.212 -2.228 1.00 13.53 C ATOM 1540 O VAL A 154 -7.426 -0.216 -1.075 1.00 4.11 O ATOM 1541 CB VAL A 154 -6.792 -1.722 -3.645 1.00 12.14 C ATOM 1542 CG1 VAL A 154 -6.252 -2.638 -2.557 1.00 3.40 C ATOM 1543 CG2 VAL A 154 -8.284 -1.942 -3.845 1.00 50.43 C ATOM 0 H VAL A 154 -4.492 -0.809 -3.152 1.00 45.00 H new ATOM 0 HA VAL A 154 -6.643 0.358 -4.197 1.00 43.33 H new ATOM 0 HB VAL A 154 -6.283 -1.965 -4.578 1.00 12.14 H new ATOM 0 HG11 VAL A 154 -6.463 -3.675 -2.817 1.00 3.40 H new ATOM 0 HG12 VAL A 154 -5.175 -2.499 -2.466 1.00 3.40 H new ATOM 0 HG13 VAL A 154 -6.730 -2.397 -1.608 1.00 3.40 H new ATOM 0 HG21 VAL A 154 -8.468 -2.989 -4.087 1.00 50.43 H new ATOM 0 HG22 VAL A 154 -8.816 -1.682 -2.930 1.00 50.43 H new ATOM 0 HG23 VAL A 154 -8.638 -1.313 -4.662 1.00 50.43 H new ATOM 1553 N PRO A 155 -8.408 1.106 -2.612 1.00 4.41 N ATOM 1554 CA PRO A 155 -9.418 1.644 -1.696 1.00 72.02 C ATOM 1555 C PRO A 155 -10.454 0.599 -1.298 1.00 33.50 C ATOM 1556 O PRO A 155 -10.753 -0.315 -2.066 1.00 73.31 O ATOM 1557 CB PRO A 155 -10.073 2.764 -2.509 1.00 33.33 C ATOM 1558 CG PRO A 155 -9.859 2.375 -3.931 1.00 20.02 C ATOM 1559 CD PRO A 155 -8.536 1.661 -3.970 1.00 73.31 C ATOM 0 HA PRO A 155 -8.979 1.981 -0.757 1.00 72.02 H new ATOM 0 HB2 PRO A 155 -11.135 2.852 -2.278 1.00 33.33 H new ATOM 0 HB3 PRO A 155 -9.618 3.730 -2.290 1.00 33.33 H new ATOM 0 HG2 PRO A 155 -10.662 1.728 -4.284 1.00 20.02 H new ATOM 0 HG3 PRO A 155 -9.848 3.252 -4.578 1.00 20.02 H new ATOM 0 HD2 PRO A 155 -8.525 0.877 -4.727 1.00 73.31 H new ATOM 0 HD3 PRO A 155 -7.718 2.343 -4.204 1.00 73.31 H new ATOM 1567 N GLN A 156 -10.998 0.740 -0.094 1.00 15.23 N ATOM 1568 CA GLN A 156 -12.001 -0.193 0.405 1.00 34.25 C ATOM 1569 C GLN A 156 -12.713 0.375 1.629 1.00 41.12 C ATOM 1570 O GLN A 156 -12.390 0.025 2.764 1.00 51.33 O ATOM 1571 CB GLN A 156 -11.352 -1.533 0.755 1.00 31.42 C ATOM 1572 CG GLN A 156 -12.353 -2.661 0.954 1.00 45.42 C ATOM 1573 CD GLN A 156 -12.087 -3.462 2.213 1.00 4.30 C ATOM 1574 OE1 GLN A 156 -10.951 -3.543 2.683 1.00 53.11 O ATOM 1575 NE2 GLN A 156 -13.135 -4.059 2.767 1.00 30.23 N ATOM 0 H GLN A 156 -10.761 1.491 0.554 1.00 15.23 H new ATOM 0 HA GLN A 156 -12.739 -0.349 -0.382 1.00 34.25 H new ATOM 0 HB2 GLN A 156 -10.659 -1.810 -0.039 1.00 31.42 H new ATOM 0 HB3 GLN A 156 -10.764 -1.416 1.665 1.00 31.42 H new ATOM 0 HG2 GLN A 156 -13.359 -2.245 0.999 1.00 45.42 H new ATOM 0 HG3 GLN A 156 -12.321 -3.326 0.091 1.00 45.42 H new ATOM 0 HE21 GLN A 156 -14.058 -3.965 2.344 1.00 30.23 H new ATOM 0 HE22 GLN A 156 -13.017 -4.612 3.616 1.00 30.23 H new ATOM 1584 N GLN A 157 -13.682 1.253 1.389 1.00 4.12 N ATOM 1585 CA GLN A 157 -14.438 1.870 2.472 1.00 3.34 C ATOM 1586 C GLN A 157 -15.611 2.677 1.926 1.00 32.04 C ATOM 1587 O GLN A 157 -15.438 3.680 1.234 1.00 62.02 O ATOM 1588 CB GLN A 157 -13.528 2.773 3.308 1.00 60.31 C ATOM 1589 CG GLN A 157 -14.283 3.670 4.275 1.00 53.44 C ATOM 1590 CD GLN A 157 -14.973 2.891 5.377 1.00 51.31 C ATOM 1591 OE1 GLN A 157 -14.777 1.684 5.516 1.00 64.31 O ATOM 1592 NE2 GLN A 157 -15.787 3.580 6.169 1.00 72.34 N ATOM 0 H GLN A 157 -13.962 1.553 0.455 1.00 4.12 H new ATOM 0 HA GLN A 157 -14.831 1.075 3.106 1.00 3.34 H new ATOM 0 HB2 GLN A 157 -12.831 2.152 3.871 1.00 60.31 H new ATOM 0 HB3 GLN A 157 -12.933 3.394 2.639 1.00 60.31 H new ATOM 0 HG2 GLN A 157 -13.589 4.384 4.720 1.00 53.44 H new ATOM 0 HG3 GLN A 157 -15.025 4.248 3.724 1.00 53.44 H new ATOM 0 HE21 GLN A 157 -15.920 4.580 6.018 1.00 72.34 H new ATOM 0 HE22 GLN A 157 -16.279 3.109 6.928 1.00 72.34 H new ATOM 1601 N PRO A 158 -16.835 2.230 2.244 1.00 55.41 N ATOM 1602 CA PRO A 158 -18.062 2.896 1.795 1.00 0.45 C ATOM 1603 C PRO A 158 -18.271 4.245 2.475 1.00 2.40 C ATOM 1604 O PRO A 158 -17.824 4.461 3.602 1.00 30.23 O ATOM 1605 CB PRO A 158 -19.166 1.917 2.201 1.00 71.22 C ATOM 1606 CG PRO A 158 -18.591 1.149 3.340 1.00 32.44 C ATOM 1607 CD PRO A 158 -17.117 1.041 3.066 1.00 43.33 C ATOM 0 HA PRO A 158 -18.039 3.116 0.728 1.00 0.45 H new ATOM 0 HB2 PRO A 158 -20.073 2.444 2.497 1.00 71.22 H new ATOM 0 HB3 PRO A 158 -19.435 1.259 1.375 1.00 71.22 H new ATOM 0 HG2 PRO A 158 -18.776 1.658 4.286 1.00 32.44 H new ATOM 0 HG3 PRO A 158 -19.047 0.162 3.415 1.00 32.44 H new ATOM 0 HD2 PRO A 158 -16.536 1.043 3.988 1.00 43.33 H new ATOM 0 HD3 PRO A 158 -16.873 0.120 2.537 1.00 43.33 H new ATOM 1615 N THR A 159 -18.953 5.152 1.783 1.00 54.42 N ATOM 1616 CA THR A 159 -19.221 6.481 2.319 1.00 21.22 C ATOM 1617 C THR A 159 -20.718 6.759 2.376 1.00 15.42 C ATOM 1618 O THR A 159 -21.501 5.940 1.898 1.00 55.10 O ATOM 1619 CB THR A 159 -18.538 7.575 1.477 1.00 74.24 C ATOM 1620 OG1 THR A 159 -17.119 7.387 1.487 1.00 2.34 O ATOM 1621 CG2 THR A 159 -18.876 8.959 2.010 1.00 33.44 C ATOM 0 H THR A 159 -19.330 4.990 0.849 1.00 54.42 H new ATOM 0 HA THR A 159 -18.812 6.503 3.329 1.00 21.22 H new ATOM 0 HB THR A 159 -18.906 7.498 0.454 1.00 74.24 H new ATOM 0 HG1 THR A 159 -16.693 8.086 0.948 1.00 2.34 H new ATOM 0 HG21 THR A 159 -18.382 9.715 1.399 1.00 33.44 H new ATOM 0 HG22 THR A 159 -19.955 9.110 1.972 1.00 33.44 H new ATOM 0 HG23 THR A 159 -18.533 9.045 3.041 1.00 33.44 H new TER 1629 THR A 159 HETATM 1630 CBR DTF A 174 21.712 -9.057 -8.365 1.00 40.55 C HETATM 1631 CAU DTF A 174 22.309 -7.797 -8.204 1.00 41.10 C HETATM 1632 CAL DTF A 174 22.915 -7.440 -7.006 1.00 50.32 C HETATM 1633 CAK DTF A 174 22.968 -8.343 -5.954 1.00 3.34 C HETATM 1634 CAS DTF A 174 22.396 -9.603 -6.071 1.00 11.22 C HETATM 1635 CBQ DTF A 174 21.751 -9.975 -7.254 1.00 41.34 C HETATM 1636 CAT DTF A 174 21.147 -11.223 -7.369 1.00 21.12 C HETATM 1637 CAM DTF A 174 20.527 -11.597 -8.553 1.00 21.44 C HETATM 1638 CAP DTF A 174 20.497 -10.731 -9.638 1.00 23.25 C HETATM 1639 CBP DTF A 174 21.074 -9.458 -9.566 1.00 33.31 C HETATM 1640 CBE DTF A 174 21.028 -8.598 -10.861 1.00 72.35 C HETATM 1641 CBT DTF A 174 20.171 -7.286 -10.782 1.00 21.43 C HETATM 1642 CAY DTF A 174 18.702 -7.605 -11.190 1.00 74.23 C HETATM 1643 CAI DTF A 174 17.725 -6.449 -11.300 1.00 41.14 C HETATM 1644 CAJ DTF A 174 16.778 -6.385 -12.243 1.00 70.31 C HETATM 1645 CBB DTF A 174 20.911 -6.115 -11.512 1.00 42.11 C HETATM 1646 NBG DTF A 174 20.418 -4.742 -11.228 1.00 12.14 N HETATM 1647 C DTF A 174 20.447 -4.164 -10.006 1.00 13.32 C HETATM 1648 O DTF A 174 20.995 -4.716 -9.048 1.00 34.55 O HETATM 1649 CA DTF A 174 19.801 -2.737 -9.813 1.00 11.42 C HETATM 1650 CB DTF A 174 19.273 -2.405 -8.385 1.00 13.02 C HETATM 1651 CG DTF A 174 18.167 -3.297 -7.804 1.00 2.41 C HETATM 1652 OD1 DTF A 174 16.985 -3.143 -8.088 1.00 44.24 O HETATM 1653 ND2 DTF A 174 18.508 -4.234 -6.960 1.00 72.51 N HETATM 1654 N DTF A 174 18.687 -2.374 -10.742 1.00 3.41 N HETATM 1655 CBM DTF A 174 18.754 -1.368 -11.635 1.00 54.04 C HETATM 1656 OAE DTF A 174 19.782 -0.687 -11.717 1.00 23.52 O HETATM 1657 CBV DTF A 174 17.468 -1.028 -12.531 1.00 25.41 C HETATM 1658 CAZ DTF A 174 17.889 -0.268 -13.845 1.00 4.10 C HETATM 1659 CAW DTF A 174 16.773 0.470 -14.636 1.00 42.52 C HETATM 1660 CAV DTF A 174 15.850 1.324 -13.733 1.00 22.32 C HETATM 1661 CAX DTF A 174 15.361 0.590 -12.465 1.00 24.22 C HETATM 1662 CBA DTF A 174 16.545 -0.068 -11.694 1.00 75.30 C HETATM 1663 NBI DTF A 174 16.566 -2.186 -12.858 1.00 51.41 N HETATM 1664 CBK DTF A 174 16.946 -3.333 -13.419 1.00 24.30 C HETATM 1665 OAC DTF A 174 18.094 -3.568 -13.790 1.00 61.23 O HETATM 1666 CBC DTF A 174 15.835 -4.379 -13.535 1.00 21.55 C HETATM 1667 CBS DTF A 174 15.679 -5.324 -12.305 1.00 21.04 C HETATM 1668 CBO DTF A 174 14.289 -6.021 -12.258 1.00 63.11 C HETATM 1669 CAR DTF A 174 13.497 -5.913 -11.106 1.00 31.53 C HETATM 1670 CAO DTF A 174 12.273 -6.573 -11.024 1.00 32.20 C HETATM 1671 CAQ DTF A 174 13.807 -6.777 -13.340 1.00 34.21 C HETATM 1672 CAN DTF A 174 12.586 -7.436 -13.256 1.00 61.01 C HETATM 1673 CBN DTF A 174 11.822 -7.352 -12.091 1.00 10.30 C HETATM 1674 CBF DTF A 174 10.524 -8.152 -11.971 1.00 70.24 C HETATM 1675 PBW DTF A 174 9.274 -7.692 -13.093 1.00 51.42 P HETATM 1676 OAG DTF A 174 9.566 -8.289 -14.484 1.00 72.41 O HETATM 1677 OAH DTF A 174 9.152 -6.157 -13.242 1.00 23.34 O HETATM 1678 OAF DTF A 174 7.877 -8.257 -12.583 1.00 52.35 O HETATM 0 HBT1 DTF A 174 20.072 -6.904 -9.766 1.00 21.43 H new HETATM 0 HBS1 DTF A 174 15.769 -4.674 -11.434 1.00 21.04 H new HETATM 0 HBF2 DTF A 174 10.751 -9.208 -12.115 1.00 70.24 H new HETATM 0 HBF1 DTF A 174 10.140 -8.044 -10.957 1.00 70.24 H new HETATM 0 HBE2 DTF A 174 22.049 -8.327 -11.130 1.00 72.35 H new HETATM 0 HBE1 DTF A 174 20.638 -9.215 -11.670 1.00 72.35 H new HETATM 0 HBC2 DTF A 174 14.889 -3.863 -13.699 1.00 21.55 H new HETATM 0 HBC1 DTF A 174 16.023 -4.988 -14.419 1.00 21.55 H new HETATM 0 HBB2 DTF A 174 21.967 -6.160 -11.247 1.00 42.11 H new HETATM 0 HBB1 DTF A 174 20.845 -6.286 -12.586 1.00 42.11 H new HETATM 0 HBA2 DTF A 174 16.137 -0.630 -10.854 1.00 75.30 H new HETATM 0 HBA1 DTF A 174 17.165 0.725 -11.276 1.00 75.30 H new HETATM 0 HAZ2 DTF A 174 18.653 0.463 -13.581 1.00 4.10 H new HETATM 0 HAZ1 DTF A 174 18.356 -0.989 -14.516 1.00 4.10 H new HETATM 0 HAY2 DTF A 174 18.726 -8.114 -12.153 1.00 74.23 H new HETATM 0 HAY1 DTF A 174 18.301 -8.313 -10.465 1.00 74.23 H new HETATM 0 HAX2 DTF A 174 14.846 1.294 -11.811 1.00 24.22 H new HETATM 0 HAX1 DTF A 174 14.636 -0.175 -12.743 1.00 24.22 H new HETATM 0 HAW2 DTF A 174 17.233 1.113 -15.386 1.00 42.52 H new HETATM 0 HAW1 DTF A 174 16.170 -0.263 -15.171 1.00 42.52 H new HETATM 0 HAV2 DTF A 174 16.384 2.227 -13.435 1.00 22.32 H new HETATM 0 HAV1 DTF A 174 14.984 1.642 -14.313 1.00 22.32 H new HETATM 0 HAU1 DTF A 174 22.297 -7.088 -9.032 1.00 41.10 H new HETATM 0 HAT1 DTF A 174 21.161 -11.911 -6.524 1.00 21.12 H new HETATM 0 HAS1 DTF A 174 22.450 -10.304 -5.238 1.00 11.22 H new HETATM 0 HAR1 DTF A 174 13.842 -5.308 -10.268 1.00 31.53 H new HETATM 0 HAQ1 DTF A 174 14.396 -6.847 -14.254 1.00 34.21 H new HETATM 0 HAP1 DTF A 174 20.015 -11.048 -10.563 1.00 23.25 H new HETATM 0 HAO1 DTF A 174 11.665 -6.481 -10.124 1.00 32.20 H new HETATM 0 HAN1 DTF A 174 12.224 -8.020 -14.102 1.00 61.01 H new HETATM 0 HAM1 DTF A 174 20.060 -12.579 -8.632 1.00 21.44 H new HETATM 0 HAL1 DTF A 174 23.350 -6.447 -6.892 1.00 50.32 H new HETATM 0 HAK1 DTF A 174 23.464 -8.060 -5.025 1.00 3.34 H new HETATM 0 HAJ1 DTF A 174 16.791 -7.145 -13.024 1.00 70.31 H new HETATM 0 HAI1 DTF A 174 17.798 -5.635 -10.579 1.00 41.14 H new HETATM 0 HB2 DTF A 174 20.120 -2.434 -7.700 1.00 13.02 H new HETATM 0 HB1 DTF A 174 18.905 -1.379 -8.394 1.00 13.02 H new HETATM 0 HAE DTF A 174 19.487 -4.357 -6.703 1.00 72.51 H new HETATM 0 HAD DTF A 174 17.795 -4.842 -6.558 1.00 72.51 H new HETATM 0 HAC DTF A 174 15.577 -2.084 -12.630 1.00 51.41 H new HETATM 0 HAB DTF A 174 17.827 -2.920 -10.697 1.00 3.41 H new HETATM 0 HAA DTF A 174 20.034 -4.202 -12.003 1.00 12.14 H new HETATM 0 HA1 DTF A 174 20.689 -2.147 -10.040 1.00 11.42 H new