USER MOD reduce.3.24.130724 H: found=0, std=0, add=1052, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1050 hydrogens (6 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 NoAdj-H: A 15 TPO H2 : A 15 TPO N : A 14 THR C :(H bumps) USER MOD Set 1.1: A 89 HIS : no HE2:sc= 0.811 K(o=1.9,f=-1.8) USER MOD Set 1.2: A 110 THR OG1 : rot -88:sc= 1.11 USER MOD Set 2.1: A 36 SER OG : rot -56:sc= 1.2 USER MOD Set 2.2: A 123 GLN : amide:sc= 1.1 K(o=2.3,f=0.85) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 165:sc= 2.33 (180deg=1.34) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc=-0.000246 K(o=-0.00025,f=-1.8) USER MOD Single : A 5 ASN : amide:sc= 0.101 X(o=0.1,f=-0.0037) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.695 X(o=-0.7,f=-1) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 140:sc= -0.453 (180deg=-1.46) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -81:sc= 1.23 USER MOD Single : A 30 THR OG1 : rot 18:sc= 0.054 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -79:sc= 0.542 USER MOD Single : A 41 ASN : amide:sc= 0.0066 K(o=0.0066,f=-3.9!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -2.24! C(o=-2.2!,f=-4.2!) USER MOD Single : A 65 GLN : amide:sc= -0.771 K(o=-0.77,f=-0.2) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 161:sc= -0.901 USER MOD Single : A 73 HIS : no HE2:sc= -2.88 K(o=-2.9,f=-8.9!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 100:sc= -0.685! USER MOD Single : A 86 SER OG : rot -141:sc= 0.852 USER MOD Single : A 95 ASN : amide:sc= -0.354 K(o=-0.35,f=-1.1) USER MOD Single : A 106 SER OG : rot 180:sc= 0.662 USER MOD Single : A 108 ASN : amide:sc= -0.637 K(o=-0.64,f=-3.1!) USER MOD Single : A 111 TYR OH : rot 151:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -4.3! C(o=-4.3!,f=-3.2!) USER MOD Single : A 118 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 GLN : amide:sc= -0.0773 K(o=-0.077,f=-1.5) USER MOD Single : A 122 MET CE :methyl -109:sc= -1.06 (180deg=-2.07) USER MOD Single : A 124 THR OG1 : rot 165:sc= 0.227 USER MOD Single : A 129 GLN : amide:sc= -0.452 K(o=-0.45,f=-2) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 38.090 9.889 1.204 1.00 11.00 N ATOM 2 CA MET A 1 39.483 9.432 1.168 1.00 43.05 C ATOM 3 C MET A 1 39.527 8.024 0.626 1.00 63.30 C ATOM 4 O MET A 1 39.852 7.802 -0.533 1.00 44.55 O ATOM 5 CB MET A 1 40.160 9.464 2.563 1.00 12.34 C ATOM 6 CG MET A 1 40.263 10.831 3.224 1.00 44.24 C ATOM 7 SD MET A 1 38.663 11.526 3.678 1.00 21.13 S ATOM 8 CE MET A 1 39.183 13.067 4.414 1.00 41.41 C ATOM 0 H1 MET A 1 38.019 10.738 1.800 1.00 11.00 H new ATOM 0 H2 MET A 1 37.774 10.115 0.239 1.00 11.00 H new ATOM 0 H3 MET A 1 37.488 9.138 1.598 1.00 11.00 H new ATOM 0 HA MET A 1 40.035 10.117 0.524 1.00 43.05 H new ATOM 0 HB2 MET A 1 39.607 8.802 3.229 1.00 12.34 H new ATOM 0 HB3 MET A 1 41.165 9.052 2.467 1.00 12.34 H new ATOM 0 HG2 MET A 1 40.882 10.749 4.117 1.00 44.24 H new ATOM 0 HG3 MET A 1 40.770 11.517 2.546 1.00 44.24 H new ATOM 0 HE1 MET A 1 38.308 13.623 4.750 1.00 41.41 H new ATOM 0 HE2 MET A 1 39.832 12.863 5.265 1.00 41.41 H new ATOM 0 HE3 MET A 1 39.727 13.657 3.676 1.00 41.41 H new ATOM 20 N SER A 2 39.189 7.070 1.457 1.00 72.12 N ATOM 21 CA SER A 2 39.153 5.683 1.065 1.00 13.34 C ATOM 22 C SER A 2 37.924 5.067 1.699 1.00 63.12 C ATOM 23 O SER A 2 37.833 3.854 1.900 1.00 34.14 O ATOM 24 CB SER A 2 40.430 4.991 1.552 1.00 72.31 C ATOM 25 OG SER A 2 41.581 5.710 1.114 1.00 64.11 O ATOM 0 H SER A 2 38.930 7.234 2.430 1.00 72.12 H new ATOM 0 HA SER A 2 39.103 5.572 -0.018 1.00 13.34 H new ATOM 0 HB2 SER A 2 40.425 4.928 2.640 1.00 72.31 H new ATOM 0 HB3 SER A 2 40.465 3.970 1.173 1.00 72.31 H new ATOM 0 HG SER A 2 42.390 5.258 1.433 1.00 64.11 H new ATOM 31 N ASP A 3 36.964 5.940 1.960 1.00 11.53 N ATOM 32 CA ASP A 3 35.724 5.629 2.644 1.00 0.32 C ATOM 33 C ASP A 3 34.972 4.537 1.918 1.00 5.44 C ATOM 34 O ASP A 3 35.030 4.438 0.682 1.00 23.42 O ATOM 35 CB ASP A 3 34.839 6.883 2.723 1.00 43.24 C ATOM 36 CG ASP A 3 35.487 8.050 3.452 1.00 73.14 C ATOM 37 OD1 ASP A 3 36.504 8.619 2.951 1.00 73.04 O ATOM 38 OD2 ASP A 3 34.967 8.469 4.508 1.00 65.24 O ATOM 0 H ASP A 3 37.032 6.921 1.690 1.00 11.53 H new ATOM 0 HA ASP A 3 35.967 5.285 3.649 1.00 0.32 H new ATOM 0 HB2 ASP A 3 34.580 7.197 1.712 1.00 43.24 H new ATOM 0 HB3 ASP A 3 33.906 6.626 3.225 1.00 43.24 H new ATOM 43 N ASN A 4 34.302 3.715 2.660 1.00 0.00 N ATOM 44 CA ASN A 4 33.523 2.638 2.093 1.00 71.34 C ATOM 45 C ASN A 4 32.115 3.146 1.868 1.00 63.03 C ATOM 46 O ASN A 4 31.672 4.058 2.569 1.00 11.43 O ATOM 47 CB ASN A 4 33.517 1.424 3.052 1.00 22.34 C ATOM 48 CG ASN A 4 32.742 0.223 2.515 1.00 25.12 C ATOM 49 OD1 ASN A 4 32.641 0.025 1.308 1.00 33.04 O ATOM 50 ND2 ASN A 4 32.213 -0.586 3.393 1.00 4.23 N ATOM 0 H ASN A 4 34.273 3.763 3.678 1.00 0.00 H new ATOM 0 HA ASN A 4 33.956 2.313 1.147 1.00 71.34 H new ATOM 0 HB2 ASN A 4 34.546 1.123 3.249 1.00 22.34 H new ATOM 0 HB3 ASN A 4 33.085 1.727 4.006 1.00 22.34 H new ATOM 0 HD21 ASN A 4 31.698 -1.410 3.082 1.00 4.23 H new ATOM 0 HD22 ASN A 4 32.314 -0.394 4.390 1.00 4.23 H new ATOM 57 N ASN A 5 31.404 2.582 0.921 1.00 62.43 N ATOM 58 CA ASN A 5 30.034 3.001 0.635 1.00 54.22 C ATOM 59 C ASN A 5 29.077 2.212 1.549 1.00 54.41 C ATOM 60 O ASN A 5 28.068 1.651 1.112 1.00 71.11 O ATOM 61 CB ASN A 5 29.700 2.745 -0.845 1.00 10.32 C ATOM 62 CG ASN A 5 28.494 3.550 -1.340 1.00 73.10 C ATOM 63 OD1 ASN A 5 28.653 4.655 -1.845 1.00 13.45 O ATOM 64 ND2 ASN A 5 27.304 3.029 -1.188 1.00 61.10 N ATOM 0 H ASN A 5 31.745 1.826 0.327 1.00 62.43 H new ATOM 0 HA ASN A 5 29.924 4.068 0.826 1.00 54.22 H new ATOM 0 HB2 ASN A 5 30.569 2.993 -1.455 1.00 10.32 H new ATOM 0 HB3 ASN A 5 29.503 1.683 -0.988 1.00 10.32 H new ATOM 0 HD21 ASN A 5 26.479 3.545 -1.493 1.00 61.10 H new ATOM 0 HD22 ASN A 5 27.201 2.107 -0.764 1.00 61.10 H new ATOM 71 N GLY A 6 29.415 2.169 2.822 1.00 70.13 N ATOM 72 CA GLY A 6 28.601 1.480 3.792 1.00 74.43 C ATOM 73 C GLY A 6 27.481 2.368 4.251 1.00 72.04 C ATOM 74 O GLY A 6 26.425 1.898 4.653 1.00 12.11 O ATOM 0 H GLY A 6 30.253 2.606 3.206 1.00 70.13 H new ATOM 0 HA2 GLY A 6 28.196 0.567 3.355 1.00 74.43 H new ATOM 0 HA3 GLY A 6 29.212 1.182 4.644 1.00 74.43 H new ATOM 78 N THR A 7 27.737 3.645 4.234 1.00 53.31 N ATOM 79 CA THR A 7 26.752 4.623 4.527 1.00 15.53 C ATOM 80 C THR A 7 26.734 5.694 3.424 1.00 71.11 C ATOM 81 O THR A 7 27.692 6.471 3.262 1.00 41.24 O ATOM 82 CB THR A 7 26.981 5.229 5.931 1.00 0.14 C ATOM 83 OG1 THR A 7 26.862 4.162 6.897 1.00 62.11 O ATOM 84 CG2 THR A 7 25.951 6.313 6.251 1.00 33.30 C ATOM 0 H THR A 7 28.654 4.033 4.011 1.00 53.31 H new ATOM 0 HA THR A 7 25.770 4.151 4.546 1.00 15.53 H new ATOM 0 HB THR A 7 27.968 5.690 5.964 1.00 0.14 H new ATOM 0 HG1 THR A 7 27.005 4.519 7.798 1.00 62.11 H new ATOM 0 HG21 THR A 7 26.144 6.716 7.245 1.00 33.30 H new ATOM 0 HG22 THR A 7 26.025 7.113 5.515 1.00 33.30 H new ATOM 0 HG23 THR A 7 24.950 5.884 6.221 1.00 33.30 H new ATOM 92 N PRO A 8 25.679 5.673 2.599 1.00 42.44 N ATOM 93 CA PRO A 8 25.445 6.659 1.546 1.00 71.11 C ATOM 94 C PRO A 8 25.217 8.045 2.128 1.00 20.25 C ATOM 95 O PRO A 8 24.788 8.178 3.279 1.00 25.51 O ATOM 96 CB PRO A 8 24.169 6.170 0.847 1.00 24.43 C ATOM 97 CG PRO A 8 24.047 4.744 1.232 1.00 45.22 C ATOM 98 CD PRO A 8 24.617 4.647 2.609 1.00 22.04 C ATOM 0 HA PRO A 8 26.298 6.744 0.873 1.00 71.11 H new ATOM 0 HB2 PRO A 8 23.298 6.742 1.168 1.00 24.43 H new ATOM 0 HB3 PRO A 8 24.243 6.282 -0.235 1.00 24.43 H new ATOM 0 HG2 PRO A 8 23.006 4.422 1.216 1.00 45.22 H new ATOM 0 HG3 PRO A 8 24.590 4.103 0.537 1.00 45.22 H new ATOM 0 HD2 PRO A 8 23.866 4.850 3.372 1.00 22.04 H new ATOM 0 HD3 PRO A 8 25.017 3.653 2.812 1.00 22.04 H new ATOM 106 N GLU A 9 25.506 9.060 1.356 1.00 22.13 N ATOM 107 CA GLU A 9 25.304 10.418 1.798 1.00 4.35 C ATOM 108 C GLU A 9 23.814 10.704 1.720 1.00 11.22 C ATOM 109 O GLU A 9 23.204 10.577 0.650 1.00 31.22 O ATOM 110 CB GLU A 9 26.068 11.414 0.899 1.00 21.35 C ATOM 111 CG GLU A 9 27.584 11.502 1.111 1.00 40.34 C ATOM 112 CD GLU A 9 28.319 10.188 0.989 1.00 1.34 C ATOM 113 OE1 GLU A 9 28.115 9.450 0.005 1.00 62.23 O ATOM 114 OE2 GLU A 9 29.156 9.890 1.862 1.00 64.21 O ATOM 0 H GLU A 9 25.884 8.972 0.413 1.00 22.13 H new ATOM 0 HA GLU A 9 25.678 10.535 2.815 1.00 4.35 H new ATOM 0 HB2 GLU A 9 25.884 11.145 -0.141 1.00 21.35 H new ATOM 0 HB3 GLU A 9 25.644 12.406 1.052 1.00 21.35 H new ATOM 0 HG2 GLU A 9 27.998 12.202 0.385 1.00 40.34 H new ATOM 0 HG3 GLU A 9 27.775 11.918 2.100 1.00 40.34 H new ATOM 121 N PRO A 10 23.204 11.052 2.867 1.00 31.50 N ATOM 122 CA PRO A 10 21.761 11.224 2.983 1.00 12.40 C ATOM 123 C PRO A 10 21.216 12.302 2.065 1.00 33.33 C ATOM 124 O PRO A 10 21.699 13.456 2.050 1.00 51.50 O ATOM 125 CB PRO A 10 21.537 11.601 4.456 1.00 35.44 C ATOM 126 CG PRO A 10 22.860 12.081 4.938 1.00 55.24 C ATOM 127 CD PRO A 10 23.889 11.329 4.150 1.00 22.20 C ATOM 0 HA PRO A 10 21.236 10.316 2.686 1.00 12.40 H new ATOM 0 HB2 PRO A 10 20.777 12.376 4.553 1.00 35.44 H new ATOM 0 HB3 PRO A 10 21.194 10.743 5.035 1.00 35.44 H new ATOM 0 HG2 PRO A 10 22.963 13.156 4.787 1.00 55.24 H new ATOM 0 HG3 PRO A 10 22.976 11.896 6.006 1.00 55.24 H new ATOM 0 HD2 PRO A 10 24.793 11.920 4.003 1.00 22.20 H new ATOM 0 HD3 PRO A 10 24.187 10.409 4.653 1.00 22.20 H new ATOM 135 N GLN A 11 20.260 11.927 1.281 1.00 60.33 N ATOM 136 CA GLN A 11 19.595 12.837 0.419 1.00 24.11 C ATOM 137 C GLN A 11 18.393 13.346 1.155 1.00 23.51 C ATOM 138 O GLN A 11 17.674 12.573 1.777 1.00 73.01 O ATOM 139 CB GLN A 11 19.180 12.151 -0.876 1.00 51.44 C ATOM 140 CG GLN A 11 20.336 11.505 -1.623 1.00 14.31 C ATOM 141 CD GLN A 11 19.907 10.877 -2.925 1.00 71.31 C ATOM 142 OE1 GLN A 11 18.974 11.340 -3.576 1.00 43.11 O ATOM 143 NE2 GLN A 11 20.560 9.816 -3.308 1.00 23.13 N ATOM 0 H GLN A 11 19.917 10.968 1.223 1.00 60.33 H new ATOM 0 HA GLN A 11 20.257 13.659 0.147 1.00 24.11 H new ATOM 0 HB2 GLN A 11 18.434 11.389 -0.650 1.00 51.44 H new ATOM 0 HB3 GLN A 11 18.702 12.883 -1.527 1.00 51.44 H new ATOM 0 HG2 GLN A 11 21.101 12.256 -1.821 1.00 14.31 H new ATOM 0 HG3 GLN A 11 20.793 10.744 -0.990 1.00 14.31 H new ATOM 0 HE21 GLN A 11 21.330 9.459 -2.742 1.00 23.13 H new ATOM 0 HE22 GLN A 11 20.301 9.343 -4.174 1.00 23.13 H new ATOM 152 N VAL A 12 18.199 14.623 1.146 1.00 25.10 N ATOM 153 CA VAL A 12 17.092 15.184 1.852 1.00 10.54 C ATOM 154 C VAL A 12 16.111 15.780 0.873 1.00 12.44 C ATOM 155 O VAL A 12 16.472 16.640 0.048 1.00 51.31 O ATOM 156 CB VAL A 12 17.532 16.267 2.888 1.00 44.41 C ATOM 157 CG1 VAL A 12 16.328 16.824 3.645 1.00 1.03 C ATOM 158 CG2 VAL A 12 18.552 15.701 3.872 1.00 5.02 C ATOM 0 H VAL A 12 18.790 15.297 0.660 1.00 25.10 H new ATOM 0 HA VAL A 12 16.619 14.376 2.410 1.00 10.54 H new ATOM 0 HB VAL A 12 17.999 17.081 2.333 1.00 44.41 H new ATOM 0 HG11 VAL A 12 16.663 17.576 4.359 1.00 1.03 H new ATOM 0 HG12 VAL A 12 15.633 17.279 2.939 1.00 1.03 H new ATOM 0 HG13 VAL A 12 15.827 16.015 4.177 1.00 1.03 H new ATOM 0 HG21 VAL A 12 18.841 16.476 4.582 1.00 5.02 H new ATOM 0 HG22 VAL A 12 18.111 14.862 4.410 1.00 5.02 H new ATOM 0 HG23 VAL A 12 19.433 15.361 3.328 1.00 5.02 H new ATOM 168 N GLU A 13 14.910 15.296 0.929 1.00 25.52 N ATOM 169 CA GLU A 13 13.840 15.829 0.156 1.00 32.55 C ATOM 170 C GLU A 13 12.995 16.653 1.110 1.00 70.55 C ATOM 171 O GLU A 13 12.678 16.192 2.212 1.00 21.31 O ATOM 172 CB GLU A 13 13.001 14.716 -0.479 1.00 54.25 C ATOM 173 CG GLU A 13 13.762 13.762 -1.393 1.00 73.51 C ATOM 174 CD GLU A 13 14.437 14.460 -2.552 1.00 74.32 C ATOM 175 OE1 GLU A 13 13.757 15.189 -3.309 1.00 41.43 O ATOM 176 OE2 GLU A 13 15.654 14.307 -2.714 1.00 61.04 O ATOM 0 H GLU A 13 14.645 14.509 1.522 1.00 25.52 H new ATOM 0 HA GLU A 13 14.223 16.435 -0.665 1.00 32.55 H new ATOM 0 HB2 GLU A 13 12.536 14.135 0.318 1.00 54.25 H new ATOM 0 HB3 GLU A 13 12.194 15.174 -1.051 1.00 54.25 H new ATOM 0 HG2 GLU A 13 14.514 13.232 -0.809 1.00 73.51 H new ATOM 0 HG3 GLU A 13 13.072 13.012 -1.780 1.00 73.51 H new ATOM 183 N THR A 14 12.650 17.840 0.718 1.00 1.24 N ATOM 184 CA THR A 14 11.967 18.760 1.602 1.00 23.13 C ATOM 185 C THR A 14 10.462 18.452 1.674 1.00 42.45 C ATOM 186 O THR A 14 9.791 18.388 0.649 1.00 73.30 O ATOM 187 CB THR A 14 12.187 20.207 1.119 1.00 54.50 C ATOM 188 OG1 THR A 14 13.605 20.417 0.896 1.00 53.33 O ATOM 189 CG2 THR A 14 11.688 21.209 2.158 1.00 24.15 C ATOM 0 H THR A 14 12.828 18.206 -0.217 1.00 1.24 H new ATOM 0 HA THR A 14 12.382 18.643 2.603 1.00 23.13 H new ATOM 0 HB THR A 14 11.628 20.359 0.195 1.00 54.50 H new ATOM 0 HG1 THR A 14 13.755 21.335 0.587 1.00 53.33 H new ATOM 0 HG21 THR A 14 11.854 22.223 1.795 1.00 24.15 H new ATOM 0 HG22 THR A 14 10.623 21.055 2.330 1.00 24.15 H new ATOM 0 HG23 THR A 14 12.231 21.065 3.092 1.00 24.15 H new HETATM 197 N TPO A 15 9.947 18.280 2.876 1.00 31.01 N HETATM 198 CA TPO A 15 8.541 17.993 3.070 1.00 63.31 C HETATM 199 CB TPO A 15 8.311 16.872 4.122 1.00 25.44 C HETATM 200 CG2 TPO A 15 6.834 16.473 4.185 1.00 32.13 C HETATM 201 OG1 TPO A 15 9.027 15.674 3.788 1.00 3.32 O HETATM 202 P TPO A 15 9.417 14.517 4.857 1.00 11.13 P HETATM 203 O1P TPO A 15 10.925 14.490 5.090 1.00 12.32 O HETATM 204 O2P TPO A 15 9.033 13.134 4.298 1.00 0.11 O HETATM 205 O3P TPO A 15 8.698 14.746 6.187 1.00 1.14 O HETATM 206 C TPO A 15 7.848 19.225 3.606 1.00 14.15 C HETATM 207 O TPO A 15 8.344 19.868 4.524 1.00 23.31 O HETATM 0 HG23 TPO A 15 6.234 17.340 4.462 1.00 32.13 H new HETATM 0 HG22 TPO A 15 6.514 16.107 3.209 1.00 32.13 H new HETATM 0 HG21 TPO A 15 6.701 15.687 4.929 1.00 32.13 H new HETATM 0 HB TPO A 15 8.658 17.281 5.071 1.00 25.44 H new HETATM 0 HA TPO A 15 8.148 17.678 2.103 1.00 63.31 H new HETATM 0 H TPO A 15 10.650 17.765 3.405 1.00 31.01 H new ATOM 214 N SER A 16 6.755 19.576 3.013 1.00 75.14 N ATOM 215 CA SER A 16 5.912 20.597 3.537 1.00 42.24 C ATOM 216 C SER A 16 4.779 19.877 4.272 1.00 0.13 C ATOM 217 O SER A 16 4.461 18.733 3.938 1.00 21.52 O ATOM 218 CB SER A 16 5.374 21.478 2.396 1.00 22.24 C ATOM 219 OG SER A 16 4.675 22.620 2.889 1.00 21.15 O ATOM 0 H SER A 16 6.420 19.159 2.145 1.00 75.14 H new ATOM 0 HA SER A 16 6.449 21.260 4.215 1.00 42.24 H new ATOM 0 HB2 SER A 16 6.203 21.803 1.767 1.00 22.24 H new ATOM 0 HB3 SER A 16 4.708 20.889 1.766 1.00 22.24 H new ATOM 0 HG SER A 16 4.350 23.155 2.135 1.00 21.15 H new ATOM 225 N VAL A 17 4.197 20.497 5.260 1.00 45.43 N ATOM 226 CA VAL A 17 3.145 19.845 6.015 1.00 50.50 C ATOM 227 C VAL A 17 1.836 19.985 5.260 1.00 2.33 C ATOM 228 O VAL A 17 1.396 21.105 4.939 1.00 22.32 O ATOM 229 CB VAL A 17 3.006 20.441 7.444 1.00 0.52 C ATOM 230 CG1 VAL A 17 1.893 19.750 8.230 1.00 54.52 C ATOM 231 CG2 VAL A 17 4.324 20.329 8.195 1.00 55.13 C ATOM 0 H VAL A 17 4.425 21.443 5.565 1.00 45.43 H new ATOM 0 HA VAL A 17 3.403 18.792 6.128 1.00 50.50 H new ATOM 0 HB VAL A 17 2.743 21.494 7.341 1.00 0.52 H new ATOM 0 HG11 VAL A 17 1.822 20.190 9.225 1.00 54.52 H new ATOM 0 HG12 VAL A 17 0.945 19.879 7.708 1.00 54.52 H new ATOM 0 HG13 VAL A 17 2.117 18.687 8.319 1.00 54.52 H new ATOM 0 HG21 VAL A 17 4.211 20.751 9.194 1.00 55.13 H new ATOM 0 HG22 VAL A 17 4.610 19.280 8.274 1.00 55.13 H new ATOM 0 HG23 VAL A 17 5.098 20.876 7.656 1.00 55.13 H new ATOM 241 N PHE A 18 1.234 18.860 4.950 1.00 11.12 N ATOM 242 CA PHE A 18 0.027 18.841 4.174 1.00 21.21 C ATOM 243 C PHE A 18 -1.159 18.993 5.100 1.00 51.22 C ATOM 244 O PHE A 18 -1.526 18.061 5.812 1.00 32.33 O ATOM 245 CB PHE A 18 -0.093 17.511 3.425 1.00 60.42 C ATOM 246 CG PHE A 18 -1.041 17.529 2.258 1.00 3.13 C ATOM 247 CD1 PHE A 18 -2.409 17.417 2.427 1.00 64.34 C ATOM 248 CD2 PHE A 18 -0.548 17.645 0.991 1.00 11.03 C ATOM 249 CE1 PHE A 18 -3.255 17.425 1.339 1.00 21.14 C ATOM 250 CE2 PHE A 18 -1.374 17.657 -0.098 1.00 14.21 C ATOM 251 CZ PHE A 18 -2.735 17.548 0.072 1.00 33.24 C ATOM 0 H PHE A 18 1.570 17.938 5.230 1.00 11.12 H new ATOM 0 HA PHE A 18 0.050 19.659 3.454 1.00 21.21 H new ATOM 0 HB2 PHE A 18 0.895 17.220 3.068 1.00 60.42 H new ATOM 0 HB3 PHE A 18 -0.417 16.743 4.127 1.00 60.42 H new ATOM 0 HD1 PHE A 18 -2.819 17.322 3.422 1.00 64.34 H new ATOM 0 HD2 PHE A 18 0.519 17.729 0.845 1.00 11.03 H new ATOM 0 HE1 PHE A 18 -4.322 17.335 1.481 1.00 21.14 H new ATOM 0 HE2 PHE A 18 -0.959 17.752 -1.091 1.00 14.21 H new ATOM 0 HZ PHE A 18 -3.392 17.559 -0.785 1.00 33.24 H new ATOM 261 N ARG A 19 -1.753 20.140 5.107 1.00 20.12 N ATOM 262 CA ARG A 19 -2.916 20.340 5.906 1.00 44.14 C ATOM 263 C ARG A 19 -4.049 20.781 5.032 1.00 22.24 C ATOM 264 O ARG A 19 -3.959 21.794 4.331 1.00 74.31 O ATOM 265 CB ARG A 19 -2.675 21.276 7.103 1.00 31.31 C ATOM 266 CG ARG A 19 -2.206 22.684 6.783 1.00 1.31 C ATOM 267 CD ARG A 19 -2.080 23.469 8.068 1.00 62.21 C ATOM 268 NE ARG A 19 -1.722 24.868 7.872 1.00 64.14 N ATOM 269 CZ ARG A 19 -1.983 25.839 8.754 1.00 72.31 C ATOM 270 NH1 ARG A 19 -2.609 25.555 9.904 1.00 11.02 N ATOM 271 NH2 ARG A 19 -1.616 27.084 8.498 1.00 1.21 N ATOM 0 H ARG A 19 -1.453 20.953 4.569 1.00 20.12 H new ATOM 0 HA ARG A 19 -3.186 19.388 6.363 1.00 44.14 H new ATOM 0 HB2 ARG A 19 -3.602 21.347 7.672 1.00 31.31 H new ATOM 0 HB3 ARG A 19 -1.936 20.811 7.755 1.00 31.31 H new ATOM 0 HG2 ARG A 19 -1.247 22.652 6.267 1.00 1.31 H new ATOM 0 HG3 ARG A 19 -2.913 23.172 6.112 1.00 1.31 H new ATOM 0 HD2 ARG A 19 -3.026 23.418 8.608 1.00 62.21 H new ATOM 0 HD3 ARG A 19 -1.327 22.996 8.699 1.00 62.21 H new ATOM 0 HE ARG A 19 -1.243 25.123 7.008 1.00 64.14 H new ATOM 0 HH11 ARG A 19 -2.888 24.596 10.109 1.00 11.02 H new ATOM 0 HH12 ARG A 19 -2.806 26.298 10.574 1.00 11.02 H new ATOM 0 HH21 ARG A 19 -1.133 27.305 7.627 1.00 1.21 H new ATOM 0 HH22 ARG A 19 -1.816 27.823 9.172 1.00 1.21 H new ATOM 285 N ALA A 20 -5.089 19.997 5.035 1.00 53.02 N ATOM 286 CA ALA A 20 -6.204 20.202 4.163 1.00 11.42 C ATOM 287 C ALA A 20 -7.416 19.488 4.735 1.00 14.22 C ATOM 288 O ALA A 20 -7.422 19.130 5.921 1.00 14.10 O ATOM 289 CB ALA A 20 -5.851 19.650 2.782 1.00 62.21 C ATOM 0 H ALA A 20 -5.185 19.189 5.651 1.00 53.02 H new ATOM 0 HA ALA A 20 -6.435 21.263 4.073 1.00 11.42 H new ATOM 0 HB1 ALA A 20 -6.692 19.799 2.105 1.00 62.21 H new ATOM 0 HB2 ALA A 20 -4.976 20.172 2.394 1.00 62.21 H new ATOM 0 HB3 ALA A 20 -5.633 18.585 2.861 1.00 62.21 H new ATOM 295 N ASP A 21 -8.402 19.241 3.884 1.00 44.11 N ATOM 296 CA ASP A 21 -9.689 18.589 4.230 1.00 42.14 C ATOM 297 C ASP A 21 -9.527 17.267 5.006 1.00 2.02 C ATOM 298 O ASP A 21 -10.435 16.864 5.753 1.00 63.03 O ATOM 299 CB ASP A 21 -10.525 18.338 2.955 1.00 62.43 C ATOM 300 CG ASP A 21 -9.872 17.362 1.986 1.00 32.33 C ATOM 301 OD1 ASP A 21 -8.976 17.779 1.200 1.00 23.31 O ATOM 302 OD2 ASP A 21 -10.231 16.162 1.985 1.00 53.02 O ATOM 0 H ASP A 21 -8.341 19.491 2.897 1.00 44.11 H new ATOM 0 HA ASP A 21 -10.205 19.283 4.893 1.00 42.14 H new ATOM 0 HB2 ASP A 21 -11.504 17.954 3.241 1.00 62.43 H new ATOM 0 HB3 ASP A 21 -10.691 19.287 2.446 1.00 62.43 H new ATOM 307 N LEU A 22 -8.360 16.636 4.887 1.00 34.32 N ATOM 308 CA LEU A 22 -8.080 15.355 5.530 1.00 24.11 C ATOM 309 C LEU A 22 -8.273 15.386 7.051 1.00 32.12 C ATOM 310 O LEU A 22 -8.677 14.403 7.630 1.00 55.13 O ATOM 311 CB LEU A 22 -6.659 14.840 5.146 1.00 45.31 C ATOM 312 CG LEU A 22 -5.429 15.767 5.422 1.00 31.41 C ATOM 313 CD1 LEU A 22 -5.044 15.836 6.894 1.00 70.01 C ATOM 314 CD2 LEU A 22 -4.244 15.329 4.609 1.00 2.41 C ATOM 0 H LEU A 22 -7.580 17.001 4.340 1.00 34.32 H new ATOM 0 HA LEU A 22 -8.819 14.649 5.150 1.00 24.11 H new ATOM 0 HB2 LEU A 22 -6.492 13.902 5.675 1.00 45.31 H new ATOM 0 HB3 LEU A 22 -6.667 14.608 4.081 1.00 45.31 H new ATOM 0 HG LEU A 22 -5.735 16.770 5.124 1.00 31.41 H new ATOM 0 HD11 LEU A 22 -4.184 16.495 7.015 1.00 70.01 H new ATOM 0 HD12 LEU A 22 -5.883 16.224 7.472 1.00 70.01 H new ATOM 0 HD13 LEU A 22 -4.789 14.838 7.250 1.00 70.01 H new ATOM 0 HD21 LEU A 22 -3.399 15.986 4.815 1.00 2.41 H new ATOM 0 HD22 LEU A 22 -3.980 14.305 4.873 1.00 2.41 H new ATOM 0 HD23 LEU A 22 -4.492 15.378 3.549 1.00 2.41 H new ATOM 326 N LEU A 23 -8.040 16.530 7.678 1.00 42.35 N ATOM 327 CA LEU A 23 -8.137 16.631 9.115 1.00 12.52 C ATOM 328 C LEU A 23 -9.539 16.999 9.607 1.00 43.30 C ATOM 329 O LEU A 23 -9.764 17.138 10.803 1.00 33.43 O ATOM 330 CB LEU A 23 -7.021 17.538 9.695 1.00 3.41 C ATOM 331 CG LEU A 23 -6.710 18.881 8.987 1.00 13.11 C ATOM 332 CD1 LEU A 23 -7.861 19.867 9.073 1.00 23.44 C ATOM 333 CD2 LEU A 23 -5.439 19.495 9.553 1.00 74.13 C ATOM 0 H LEU A 23 -7.783 17.398 7.208 1.00 42.35 H new ATOM 0 HA LEU A 23 -7.966 15.630 9.512 1.00 12.52 H new ATOM 0 HB2 LEU A 23 -7.282 17.762 10.729 1.00 3.41 H new ATOM 0 HB3 LEU A 23 -6.100 16.955 9.718 1.00 3.41 H new ATOM 0 HG LEU A 23 -6.563 18.658 7.930 1.00 13.11 H new ATOM 0 HD11 LEU A 23 -7.589 20.790 8.561 1.00 23.44 H new ATOM 0 HD12 LEU A 23 -8.744 19.437 8.601 1.00 23.44 H new ATOM 0 HD13 LEU A 23 -8.078 20.083 10.119 1.00 23.44 H new ATOM 0 HD21 LEU A 23 -5.233 20.438 9.046 1.00 74.13 H new ATOM 0 HD22 LEU A 23 -5.567 19.677 10.620 1.00 74.13 H new ATOM 0 HD23 LEU A 23 -4.605 18.811 9.399 1.00 74.13 H new ATOM 345 N LYS A 24 -10.465 17.173 8.681 1.00 43.25 N ATOM 346 CA LYS A 24 -11.847 17.446 9.038 1.00 4.12 C ATOM 347 C LYS A 24 -12.719 16.237 8.747 1.00 62.25 C ATOM 348 O LYS A 24 -13.514 15.793 9.583 1.00 5.32 O ATOM 349 CB LYS A 24 -12.391 18.645 8.263 1.00 54.11 C ATOM 350 CG LYS A 24 -11.708 19.958 8.563 1.00 23.51 C ATOM 351 CD LYS A 24 -12.345 21.087 7.785 1.00 73.33 C ATOM 352 CE LYS A 24 -11.713 22.416 8.134 1.00 12.12 C ATOM 353 NZ LYS A 24 -12.375 23.537 7.443 1.00 14.54 N ATOM 0 H LYS A 24 -10.286 17.130 7.678 1.00 43.25 H new ATOM 0 HA LYS A 24 -11.870 17.671 10.104 1.00 4.12 H new ATOM 0 HB2 LYS A 24 -12.301 18.441 7.196 1.00 54.11 H new ATOM 0 HB3 LYS A 24 -13.454 18.747 8.480 1.00 54.11 H new ATOM 0 HG2 LYS A 24 -11.768 20.168 9.631 1.00 23.51 H new ATOM 0 HG3 LYS A 24 -10.650 19.888 8.310 1.00 23.51 H new ATOM 0 HD2 LYS A 24 -12.240 20.901 6.716 1.00 73.33 H new ATOM 0 HD3 LYS A 24 -13.413 21.122 7.999 1.00 73.33 H new ATOM 0 HE2 LYS A 24 -11.766 22.571 9.212 1.00 12.12 H new ATOM 0 HE3 LYS A 24 -10.657 22.397 7.866 1.00 12.12 H new ATOM 0 HZ1 LYS A 24 -11.913 24.430 7.708 1.00 14.54 H new ATOM 0 HZ2 LYS A 24 -12.303 23.402 6.414 1.00 14.54 H new ATOM 0 HZ3 LYS A 24 -13.377 23.571 7.718 1.00 14.54 H new ATOM 367 N GLU A 25 -12.523 15.694 7.560 1.00 54.52 N ATOM 368 CA GLU A 25 -13.318 14.601 7.020 1.00 61.24 C ATOM 369 C GLU A 25 -13.074 13.282 7.759 1.00 70.30 C ATOM 370 O GLU A 25 -13.980 12.451 7.879 1.00 35.32 O ATOM 371 CB GLU A 25 -12.953 14.424 5.551 1.00 41.21 C ATOM 372 CG GLU A 25 -13.240 15.628 4.664 1.00 33.42 C ATOM 373 CD GLU A 25 -14.695 15.793 4.331 1.00 42.14 C ATOM 374 OE1 GLU A 25 -15.153 15.195 3.339 1.00 51.13 O ATOM 375 OE2 GLU A 25 -15.405 16.556 5.025 1.00 3.50 O ATOM 0 H GLU A 25 -11.788 16.007 6.926 1.00 54.52 H new ATOM 0 HA GLU A 25 -14.371 14.853 7.143 1.00 61.24 H new ATOM 0 HB2 GLU A 25 -11.891 14.187 5.483 1.00 41.21 H new ATOM 0 HB3 GLU A 25 -13.497 13.565 5.158 1.00 41.21 H new ATOM 0 HG2 GLU A 25 -12.885 16.530 5.163 1.00 33.42 H new ATOM 0 HG3 GLU A 25 -12.672 15.531 3.739 1.00 33.42 H new ATOM 382 N MET A 26 -11.860 13.100 8.262 1.00 15.21 N ATOM 383 CA MET A 26 -11.460 11.832 8.898 1.00 24.12 C ATOM 384 C MET A 26 -12.352 11.396 10.060 1.00 63.44 C ATOM 385 O MET A 26 -12.701 10.224 10.162 1.00 51.44 O ATOM 386 CB MET A 26 -9.946 11.786 9.259 1.00 74.31 C ATOM 387 CG MET A 26 -9.394 12.930 10.141 1.00 0.00 C ATOM 388 SD MET A 26 -9.973 12.957 11.849 1.00 20.22 S ATOM 389 CE MET A 26 -9.380 11.369 12.428 1.00 60.21 C ATOM 0 H MET A 26 -11.128 13.810 8.246 1.00 15.21 H new ATOM 0 HA MET A 26 -11.622 11.080 8.125 1.00 24.12 H new ATOM 0 HB2 MET A 26 -9.749 10.842 9.767 1.00 74.31 H new ATOM 0 HB3 MET A 26 -9.377 11.772 8.329 1.00 74.31 H new ATOM 0 HG2 MET A 26 -8.306 12.865 10.148 1.00 0.00 H new ATOM 0 HG3 MET A 26 -9.654 13.880 9.674 1.00 0.00 H new ATOM 0 HE1 MET A 26 -8.999 11.471 13.444 1.00 60.21 H new ATOM 0 HE2 MET A 26 -10.199 10.649 12.419 1.00 60.21 H new ATOM 0 HE3 MET A 26 -8.581 11.018 11.774 1.00 60.21 H new ATOM 399 N GLU A 27 -12.788 12.334 10.869 1.00 53.32 N ATOM 400 CA GLU A 27 -13.571 11.995 12.037 1.00 62.13 C ATOM 401 C GLU A 27 -15.026 11.742 11.660 1.00 11.14 C ATOM 402 O GLU A 27 -15.676 10.858 12.208 1.00 54.24 O ATOM 403 CB GLU A 27 -13.456 13.082 13.096 1.00 10.23 C ATOM 404 CG GLU A 27 -14.062 12.699 14.430 1.00 13.11 C ATOM 405 CD GLU A 27 -13.946 13.790 15.440 1.00 72.41 C ATOM 406 OE1 GLU A 27 -12.898 13.905 16.107 1.00 22.04 O ATOM 407 OE2 GLU A 27 -14.911 14.557 15.598 1.00 74.54 O ATOM 0 H GLU A 27 -12.616 13.331 10.742 1.00 53.32 H new ATOM 0 HA GLU A 27 -13.173 11.073 12.460 1.00 62.13 H new ATOM 0 HB2 GLU A 27 -12.403 13.325 13.242 1.00 10.23 H new ATOM 0 HB3 GLU A 27 -13.944 13.986 12.731 1.00 10.23 H new ATOM 0 HG2 GLU A 27 -15.113 12.447 14.290 1.00 13.11 H new ATOM 0 HG3 GLU A 27 -13.568 11.804 14.807 1.00 13.11 H new ATOM 414 N SER A 28 -15.516 12.487 10.699 1.00 33.25 N ATOM 415 CA SER A 28 -16.881 12.345 10.231 1.00 21.35 C ATOM 416 C SER A 28 -17.075 10.997 9.507 1.00 21.32 C ATOM 417 O SER A 28 -18.150 10.373 9.566 1.00 2.41 O ATOM 418 CB SER A 28 -17.179 13.505 9.301 1.00 33.12 C ATOM 419 OG SER A 28 -16.917 14.740 9.959 1.00 54.13 O ATOM 0 H SER A 28 -14.983 13.210 10.217 1.00 33.25 H new ATOM 0 HA SER A 28 -17.569 12.357 11.076 1.00 21.35 H new ATOM 0 HB2 SER A 28 -16.568 13.426 8.402 1.00 33.12 H new ATOM 0 HB3 SER A 28 -18.221 13.468 8.983 1.00 33.12 H new ATOM 0 HG SER A 28 -17.111 15.483 9.350 1.00 54.13 H new ATOM 425 N SER A 29 -16.025 10.540 8.866 1.00 61.23 N ATOM 426 CA SER A 29 -16.054 9.310 8.130 1.00 3.41 C ATOM 427 C SER A 29 -15.830 8.086 9.034 1.00 34.30 C ATOM 428 O SER A 29 -16.058 6.941 8.609 1.00 43.42 O ATOM 429 CB SER A 29 -15.072 9.366 6.969 1.00 15.02 C ATOM 430 OG SER A 29 -13.785 9.746 7.411 1.00 13.11 O ATOM 0 H SER A 29 -15.124 11.018 8.844 1.00 61.23 H new ATOM 0 HA SER A 29 -17.054 9.188 7.713 1.00 3.41 H new ATOM 0 HB2 SER A 29 -15.021 8.391 6.484 1.00 15.02 H new ATOM 0 HB3 SER A 29 -15.428 10.075 6.221 1.00 15.02 H new ATOM 0 HG SER A 29 -13.747 10.721 7.507 1.00 13.11 H new ATOM 436 N THR A 30 -15.325 8.317 10.249 1.00 50.21 N ATOM 437 CA THR A 30 -15.114 7.249 11.214 1.00 74.35 C ATOM 438 C THR A 30 -16.463 6.532 11.473 1.00 43.22 C ATOM 439 O THR A 30 -17.530 7.168 11.471 1.00 75.40 O ATOM 440 CB THR A 30 -14.572 7.825 12.540 1.00 74.13 C ATOM 441 OG1 THR A 30 -13.459 8.694 12.273 1.00 23.25 O ATOM 442 CG2 THR A 30 -14.114 6.717 13.481 1.00 54.35 C ATOM 0 H THR A 30 -15.055 9.242 10.583 1.00 50.21 H new ATOM 0 HA THR A 30 -14.385 6.542 10.816 1.00 74.35 H new ATOM 0 HB THR A 30 -15.381 8.378 13.017 1.00 74.13 H new ATOM 0 HG1 THR A 30 -13.469 8.957 11.329 1.00 23.25 H new ATOM 0 HG21 THR A 30 -13.738 7.157 14.405 1.00 54.35 H new ATOM 0 HG22 THR A 30 -14.955 6.061 13.707 1.00 54.35 H new ATOM 0 HG23 THR A 30 -13.321 6.140 13.005 1.00 54.35 H new ATOM 450 N GLY A 31 -16.420 5.241 11.644 1.00 23.20 N ATOM 451 CA GLY A 31 -17.621 4.488 11.821 1.00 34.03 C ATOM 452 C GLY A 31 -17.657 3.353 10.855 1.00 3.44 C ATOM 453 O GLY A 31 -17.848 2.207 11.240 1.00 14.43 O ATOM 0 H GLY A 31 -15.562 4.690 11.664 1.00 23.20 H new ATOM 0 HA2 GLY A 31 -17.676 4.110 12.842 1.00 34.03 H new ATOM 0 HA3 GLY A 31 -18.489 5.131 11.672 1.00 34.03 H new ATOM 457 N THR A 32 -17.460 3.658 9.594 1.00 14.21 N ATOM 458 CA THR A 32 -17.390 2.622 8.605 1.00 51.32 C ATOM 459 C THR A 32 -15.982 2.025 8.676 1.00 10.54 C ATOM 460 O THR A 32 -14.997 2.740 8.461 1.00 34.41 O ATOM 461 CB THR A 32 -17.623 3.238 7.217 1.00 11.31 C ATOM 462 OG1 THR A 32 -18.763 4.118 7.290 1.00 2.34 O ATOM 463 CG2 THR A 32 -17.893 2.159 6.179 1.00 42.40 C ATOM 0 H THR A 32 -17.347 4.607 9.236 1.00 14.21 H new ATOM 0 HA THR A 32 -18.143 1.854 8.780 1.00 51.32 H new ATOM 0 HB THR A 32 -16.729 3.786 6.919 1.00 11.31 H new ATOM 0 HG1 THR A 32 -18.923 4.520 6.411 1.00 2.34 H new ATOM 0 HG21 THR A 32 -18.054 2.623 5.206 1.00 42.40 H new ATOM 0 HG22 THR A 32 -17.038 1.486 6.123 1.00 42.40 H new ATOM 0 HG23 THR A 32 -18.781 1.594 6.464 1.00 42.40 H new ATOM 471 N ALA A 33 -15.882 0.761 8.961 1.00 23.03 N ATOM 472 CA ALA A 33 -14.597 0.153 9.163 1.00 24.24 C ATOM 473 C ALA A 33 -14.424 -1.092 8.313 1.00 23.44 C ATOM 474 O ALA A 33 -15.397 -1.796 8.045 1.00 70.11 O ATOM 475 CB ALA A 33 -14.406 -0.172 10.639 1.00 63.31 C ATOM 0 H ALA A 33 -16.676 0.128 9.059 1.00 23.03 H new ATOM 0 HA ALA A 33 -13.833 0.865 8.851 1.00 24.24 H new ATOM 0 HB1 ALA A 33 -13.429 -0.633 10.787 1.00 63.31 H new ATOM 0 HB2 ALA A 33 -14.466 0.746 11.224 1.00 63.31 H new ATOM 0 HB3 ALA A 33 -15.185 -0.861 10.964 1.00 63.31 H new ATOM 481 N PRO A 34 -13.194 -1.345 7.823 1.00 34.23 N ATOM 482 CA PRO A 34 -12.853 -2.594 7.120 1.00 24.32 C ATOM 483 C PRO A 34 -13.016 -3.803 8.044 1.00 54.22 C ATOM 484 O PRO A 34 -12.833 -3.695 9.267 1.00 34.12 O ATOM 485 CB PRO A 34 -11.372 -2.417 6.776 1.00 14.44 C ATOM 486 CG PRO A 34 -11.149 -0.953 6.796 1.00 12.05 C ATOM 487 CD PRO A 34 -12.050 -0.423 7.862 1.00 53.45 C ATOM 0 HA PRO A 34 -13.490 -2.770 6.253 1.00 24.32 H new ATOM 0 HB2 PRO A 34 -10.735 -2.924 7.501 1.00 14.44 H new ATOM 0 HB3 PRO A 34 -11.140 -2.839 5.798 1.00 14.44 H new ATOM 0 HG2 PRO A 34 -10.107 -0.718 7.012 1.00 12.05 H new ATOM 0 HG3 PRO A 34 -11.382 -0.508 5.829 1.00 12.05 H new ATOM 0 HD2 PRO A 34 -11.564 -0.425 8.838 1.00 53.45 H new ATOM 0 HD3 PRO A 34 -12.353 0.604 7.659 1.00 53.45 H new ATOM 495 N ALA A 35 -13.344 -4.927 7.478 1.00 65.31 N ATOM 496 CA ALA A 35 -13.565 -6.124 8.242 1.00 22.31 C ATOM 497 C ALA A 35 -12.403 -7.081 8.064 1.00 22.52 C ATOM 498 O ALA A 35 -11.658 -6.999 7.077 1.00 24.42 O ATOM 499 CB ALA A 35 -14.861 -6.790 7.805 1.00 71.02 C ATOM 0 H ALA A 35 -13.467 -5.042 6.472 1.00 65.31 H new ATOM 0 HA ALA A 35 -13.642 -5.858 9.296 1.00 22.31 H new ATOM 0 HB1 ALA A 35 -15.020 -7.696 8.390 1.00 71.02 H new ATOM 0 HB2 ALA A 35 -15.694 -6.105 7.964 1.00 71.02 H new ATOM 0 HB3 ALA A 35 -14.800 -7.047 6.747 1.00 71.02 H new ATOM 505 N SER A 36 -12.245 -7.970 9.004 1.00 52.31 N ATOM 506 CA SER A 36 -11.225 -8.969 8.954 1.00 30.44 C ATOM 507 C SER A 36 -11.663 -10.073 7.986 1.00 35.11 C ATOM 508 O SER A 36 -12.367 -11.002 8.371 1.00 11.14 O ATOM 509 CB SER A 36 -11.014 -9.532 10.362 1.00 21.54 C ATOM 510 OG SER A 36 -10.736 -8.477 11.288 1.00 34.45 O ATOM 0 H SER A 36 -12.832 -8.018 9.837 1.00 52.31 H new ATOM 0 HA SER A 36 -10.285 -8.545 8.602 1.00 30.44 H new ATOM 0 HB2 SER A 36 -11.903 -10.077 10.679 1.00 21.54 H new ATOM 0 HB3 SER A 36 -10.189 -10.244 10.355 1.00 21.54 H new ATOM 0 HG SER A 36 -9.958 -7.967 10.979 1.00 34.45 H new ATOM 516 N THR A 37 -11.311 -9.923 6.726 1.00 4.44 N ATOM 517 CA THR A 37 -11.719 -10.863 5.714 1.00 21.21 C ATOM 518 C THR A 37 -10.869 -12.141 5.727 1.00 14.01 C ATOM 519 O THR A 37 -11.112 -13.048 6.535 1.00 22.43 O ATOM 520 CB THR A 37 -11.736 -10.201 4.317 1.00 54.44 C ATOM 521 OG1 THR A 37 -10.482 -9.518 4.108 1.00 65.44 O ATOM 522 CG2 THR A 37 -12.883 -9.204 4.205 1.00 40.30 C ATOM 0 H THR A 37 -10.739 -9.152 6.381 1.00 4.44 H new ATOM 0 HA THR A 37 -12.738 -11.169 5.951 1.00 21.21 H new ATOM 0 HB THR A 37 -11.876 -10.973 3.560 1.00 54.44 H new ATOM 0 HG1 THR A 37 -10.496 -8.658 4.578 1.00 65.44 H new ATOM 0 HG21 THR A 37 -12.875 -8.750 3.214 1.00 40.30 H new ATOM 0 HG22 THR A 37 -13.830 -9.720 4.361 1.00 40.30 H new ATOM 0 HG23 THR A 37 -12.765 -8.427 4.960 1.00 40.30 H new ATOM 530 N GLY A 38 -9.847 -12.182 4.910 1.00 13.12 N ATOM 531 CA GLY A 38 -8.995 -13.343 4.839 1.00 71.55 C ATOM 532 C GLY A 38 -7.563 -12.987 5.107 1.00 64.31 C ATOM 533 O GLY A 38 -6.702 -13.120 4.235 1.00 72.31 O ATOM 0 H GLY A 38 -9.584 -11.422 4.282 1.00 13.12 H new ATOM 0 HA2 GLY A 38 -9.329 -14.086 5.563 1.00 71.55 H new ATOM 0 HA3 GLY A 38 -9.080 -13.799 3.853 1.00 71.55 H new ATOM 537 N ALA A 39 -7.331 -12.417 6.259 1.00 60.12 N ATOM 538 CA ALA A 39 -5.995 -12.082 6.694 1.00 64.22 C ATOM 539 C ALA A 39 -5.401 -13.209 7.524 1.00 63.01 C ATOM 540 O ALA A 39 -4.299 -13.679 7.271 1.00 25.32 O ATOM 541 CB ALA A 39 -6.014 -10.798 7.497 1.00 33.50 C ATOM 0 H ALA A 39 -8.062 -12.170 6.926 1.00 60.12 H new ATOM 0 HA ALA A 39 -5.372 -11.939 5.811 1.00 64.22 H new ATOM 0 HB1 ALA A 39 -5.001 -10.556 7.820 1.00 33.50 H new ATOM 0 HB2 ALA A 39 -6.402 -9.988 6.879 1.00 33.50 H new ATOM 0 HB3 ALA A 39 -6.653 -10.925 8.371 1.00 33.50 H new ATOM 547 N GLU A 40 -6.210 -13.683 8.461 1.00 4.21 N ATOM 548 CA GLU A 40 -5.805 -14.625 9.518 1.00 12.10 C ATOM 549 C GLU A 40 -5.482 -16.036 9.020 1.00 50.15 C ATOM 550 O GLU A 40 -5.133 -16.914 9.817 1.00 20.40 O ATOM 551 CB GLU A 40 -6.913 -14.698 10.546 1.00 14.34 C ATOM 552 CG GLU A 40 -8.215 -15.256 9.990 1.00 21.01 C ATOM 553 CD GLU A 40 -9.352 -15.119 10.944 1.00 53.45 C ATOM 554 OE1 GLU A 40 -9.558 -16.031 11.784 1.00 61.03 O ATOM 555 OE2 GLU A 40 -10.052 -14.093 10.889 1.00 70.15 O ATOM 0 H GLU A 40 -7.194 -13.422 8.516 1.00 4.21 H new ATOM 0 HA GLU A 40 -4.877 -14.240 9.942 1.00 12.10 H new ATOM 0 HB2 GLU A 40 -6.586 -15.320 11.379 1.00 14.34 H new ATOM 0 HB3 GLU A 40 -7.095 -13.700 10.945 1.00 14.34 H new ATOM 0 HG2 GLU A 40 -8.460 -14.740 9.062 1.00 21.01 H new ATOM 0 HG3 GLU A 40 -8.078 -16.309 9.742 1.00 21.01 H new ATOM 562 N ASN A 41 -5.602 -16.265 7.750 1.00 12.31 N ATOM 563 CA ASN A 41 -5.302 -17.562 7.210 1.00 24.40 C ATOM 564 C ASN A 41 -3.824 -17.643 6.912 1.00 42.32 C ATOM 565 O ASN A 41 -3.225 -18.711 7.021 1.00 63.33 O ATOM 566 CB ASN A 41 -6.157 -17.889 5.965 1.00 30.41 C ATOM 567 CG ASN A 41 -5.952 -16.958 4.772 1.00 25.35 C ATOM 568 OD1 ASN A 41 -5.609 -15.785 4.920 1.00 65.31 O ATOM 569 ND2 ASN A 41 -6.179 -17.469 3.589 1.00 72.31 N ATOM 0 H ASN A 41 -5.905 -15.573 7.064 1.00 12.31 H new ATOM 0 HA ASN A 41 -5.559 -18.317 7.953 1.00 24.40 H new ATOM 0 HB2 ASN A 41 -5.937 -18.909 5.651 1.00 30.41 H new ATOM 0 HB3 ASN A 41 -7.209 -17.863 6.249 1.00 30.41 H new ATOM 0 HD21 ASN A 41 -6.073 -16.891 2.755 1.00 72.31 H new ATOM 0 HD22 ASN A 41 -6.462 -18.445 3.501 1.00 72.31 H new ATOM 576 N LEU A 42 -3.240 -16.471 6.617 1.00 25.35 N ATOM 577 CA LEU A 42 -1.820 -16.301 6.310 1.00 14.25 C ATOM 578 C LEU A 42 -1.338 -17.317 5.256 1.00 21.34 C ATOM 579 O LEU A 42 -0.717 -18.333 5.589 1.00 2.40 O ATOM 580 CB LEU A 42 -0.974 -16.365 7.591 1.00 51.50 C ATOM 581 CG LEU A 42 -1.293 -15.316 8.672 1.00 34.10 C ATOM 582 CD1 LEU A 42 -0.417 -15.517 9.896 1.00 30.40 C ATOM 583 CD2 LEU A 42 -1.127 -13.903 8.131 1.00 43.45 C ATOM 0 H LEU A 42 -3.761 -15.595 6.586 1.00 25.35 H new ATOM 0 HA LEU A 42 -1.690 -15.311 5.874 1.00 14.25 H new ATOM 0 HB2 LEU A 42 -1.092 -17.356 8.030 1.00 51.50 H new ATOM 0 HB3 LEU A 42 0.075 -16.262 7.314 1.00 51.50 H new ATOM 0 HG LEU A 42 -2.334 -15.450 8.965 1.00 34.10 H new ATOM 0 HD11 LEU A 42 -0.661 -14.764 10.646 1.00 30.40 H new ATOM 0 HD12 LEU A 42 -0.592 -16.510 10.309 1.00 30.40 H new ATOM 0 HD13 LEU A 42 0.631 -15.421 9.613 1.00 30.40 H new ATOM 0 HD21 LEU A 42 -1.359 -13.183 8.916 1.00 43.45 H new ATOM 0 HD22 LEU A 42 -0.099 -13.759 7.799 1.00 43.45 H new ATOM 0 HD23 LEU A 42 -1.804 -13.753 7.290 1.00 43.45 H new ATOM 595 N PRO A 43 -1.669 -17.087 3.978 1.00 41.25 N ATOM 596 CA PRO A 43 -1.346 -18.018 2.920 1.00 52.31 C ATOM 597 C PRO A 43 0.043 -17.814 2.300 1.00 3.24 C ATOM 598 O PRO A 43 0.963 -18.571 2.576 1.00 31.23 O ATOM 599 CB PRO A 43 -2.446 -17.785 1.890 1.00 11.35 C ATOM 600 CG PRO A 43 -3.015 -16.419 2.183 1.00 12.22 C ATOM 601 CD PRO A 43 -2.411 -15.925 3.475 1.00 61.44 C ATOM 0 HA PRO A 43 -1.302 -19.038 3.302 1.00 52.31 H new ATOM 0 HB2 PRO A 43 -2.047 -17.831 0.877 1.00 11.35 H new ATOM 0 HB3 PRO A 43 -3.217 -18.552 1.964 1.00 11.35 H new ATOM 0 HG2 PRO A 43 -2.788 -15.730 1.369 1.00 12.22 H new ATOM 0 HG3 PRO A 43 -4.101 -16.469 2.265 1.00 12.22 H new ATOM 0 HD2 PRO A 43 -1.754 -15.071 3.309 1.00 61.44 H new ATOM 0 HD3 PRO A 43 -3.179 -15.604 4.179 1.00 61.44 H new ATOM 609 N ALA A 44 0.188 -16.769 1.487 1.00 70.44 N ATOM 610 CA ALA A 44 1.431 -16.508 0.776 1.00 31.45 C ATOM 611 C ALA A 44 2.534 -16.023 1.702 1.00 24.01 C ATOM 612 O ALA A 44 3.714 -16.307 1.491 1.00 3.43 O ATOM 613 CB ALA A 44 1.193 -15.491 -0.329 1.00 72.44 C ATOM 0 H ALA A 44 -0.548 -16.087 1.306 1.00 70.44 H new ATOM 0 HA ALA A 44 1.763 -17.452 0.343 1.00 31.45 H new ATOM 0 HB1 ALA A 44 2.128 -15.301 -0.856 1.00 72.44 H new ATOM 0 HB2 ALA A 44 0.454 -15.881 -1.029 1.00 72.44 H new ATOM 0 HB3 ALA A 44 0.826 -14.561 0.105 1.00 72.44 H new ATOM 619 N GLY A 45 2.147 -15.298 2.731 1.00 64.23 N ATOM 620 CA GLY A 45 3.127 -14.729 3.629 1.00 24.33 C ATOM 621 C GLY A 45 3.630 -13.401 3.103 1.00 45.45 C ATOM 622 O GLY A 45 4.563 -12.816 3.639 1.00 41.31 O ATOM 0 H GLY A 45 1.176 -15.092 2.963 1.00 64.23 H new ATOM 0 HA2 GLY A 45 2.686 -14.591 4.616 1.00 24.33 H new ATOM 0 HA3 GLY A 45 3.963 -15.419 3.747 1.00 24.33 H new ATOM 626 N SER A 46 2.992 -12.946 2.053 1.00 3.21 N ATOM 627 CA SER A 46 3.298 -11.701 1.402 1.00 71.23 C ATOM 628 C SER A 46 1.970 -10.984 1.190 1.00 74.10 C ATOM 629 O SER A 46 0.911 -11.607 1.357 1.00 21.32 O ATOM 630 CB SER A 46 3.993 -11.986 0.062 1.00 12.44 C ATOM 631 OG SER A 46 5.142 -12.809 0.260 1.00 24.42 O ATOM 0 H SER A 46 2.221 -13.450 1.616 1.00 3.21 H new ATOM 0 HA SER A 46 3.970 -11.083 1.997 1.00 71.23 H new ATOM 0 HB2 SER A 46 3.298 -12.479 -0.617 1.00 12.44 H new ATOM 0 HB3 SER A 46 4.287 -11.048 -0.409 1.00 12.44 H new ATOM 0 HG SER A 46 5.572 -12.983 -0.603 1.00 24.42 H new ATOM 637 N ALA A 47 1.998 -9.716 0.849 1.00 70.14 N ATOM 638 CA ALA A 47 0.777 -8.945 0.697 1.00 20.51 C ATOM 639 C ALA A 47 0.957 -7.896 -0.361 1.00 4.05 C ATOM 640 O ALA A 47 2.077 -7.525 -0.661 1.00 53.33 O ATOM 641 CB ALA A 47 0.409 -8.294 2.010 1.00 61.33 C ATOM 0 H ALA A 47 2.854 -9.192 0.670 1.00 70.14 H new ATOM 0 HA ALA A 47 -0.027 -9.616 0.396 1.00 20.51 H new ATOM 0 HB1 ALA A 47 -0.508 -7.718 1.886 1.00 61.33 H new ATOM 0 HB2 ALA A 47 0.255 -9.063 2.767 1.00 61.33 H new ATOM 0 HB3 ALA A 47 1.214 -7.631 2.326 1.00 61.33 H new ATOM 647 N LEU A 48 -0.118 -7.441 -0.936 1.00 60.54 N ATOM 648 CA LEU A 48 -0.067 -6.422 -1.937 1.00 1.23 C ATOM 649 C LEU A 48 -1.031 -5.306 -1.601 1.00 23.14 C ATOM 650 O LEU A 48 -2.143 -5.542 -1.138 1.00 42.32 O ATOM 651 CB LEU A 48 -0.257 -6.983 -3.400 1.00 21.24 C ATOM 652 CG LEU A 48 -1.594 -7.690 -3.835 1.00 41.14 C ATOM 653 CD1 LEU A 48 -2.012 -8.844 -2.935 1.00 34.02 C ATOM 654 CD2 LEU A 48 -2.739 -6.707 -4.077 1.00 34.14 C ATOM 0 H LEU A 48 -1.059 -7.770 -0.721 1.00 60.54 H new ATOM 0 HA LEU A 48 0.939 -6.003 -1.931 1.00 1.23 H new ATOM 0 HB2 LEU A 48 -0.101 -6.148 -4.084 1.00 21.24 H new ATOM 0 HB3 LEU A 48 0.551 -7.694 -3.576 1.00 21.24 H new ATOM 0 HG LEU A 48 -1.358 -8.143 -4.798 1.00 41.14 H new ATOM 0 HD11 LEU A 48 -2.942 -9.275 -3.305 1.00 34.02 H new ATOM 0 HD12 LEU A 48 -1.233 -9.606 -2.936 1.00 34.02 H new ATOM 0 HD13 LEU A 48 -2.161 -8.478 -1.919 1.00 34.02 H new ATOM 0 HD21 LEU A 48 -3.633 -7.256 -4.374 1.00 34.14 H new ATOM 0 HD22 LEU A 48 -2.942 -6.152 -3.161 1.00 34.14 H new ATOM 0 HD23 LEU A 48 -2.460 -6.012 -4.869 1.00 34.14 H new ATOM 666 N LEU A 49 -0.598 -4.111 -1.781 1.00 4.10 N ATOM 667 CA LEU A 49 -1.434 -2.980 -1.525 1.00 64.22 C ATOM 668 C LEU A 49 -1.818 -2.347 -2.835 1.00 11.43 C ATOM 669 O LEU A 49 -0.993 -2.252 -3.748 1.00 4.44 O ATOM 670 CB LEU A 49 -0.763 -1.993 -0.520 1.00 70.32 C ATOM 671 CG LEU A 49 0.646 -1.432 -0.856 1.00 42.52 C ATOM 672 CD1 LEU A 49 0.599 -0.317 -1.893 1.00 25.52 C ATOM 673 CD2 LEU A 49 1.339 -0.955 0.401 1.00 71.34 C ATOM 0 H LEU A 49 0.341 -3.883 -2.108 1.00 4.10 H new ATOM 0 HA LEU A 49 -2.354 -3.297 -1.034 1.00 64.22 H new ATOM 0 HB2 LEU A 49 -1.435 -1.144 -0.391 1.00 70.32 H new ATOM 0 HB3 LEU A 49 -0.697 -2.497 0.444 1.00 70.32 H new ATOM 0 HG LEU A 49 1.218 -2.250 -1.293 1.00 42.52 H new ATOM 0 HD11 LEU A 49 1.610 0.039 -2.091 1.00 25.52 H new ATOM 0 HD12 LEU A 49 0.161 -0.697 -2.816 1.00 25.52 H new ATOM 0 HD13 LEU A 49 -0.008 0.506 -1.515 1.00 25.52 H new ATOM 0 HD21 LEU A 49 2.325 -0.565 0.147 1.00 71.34 H new ATOM 0 HD22 LEU A 49 0.746 -0.168 0.867 1.00 71.34 H new ATOM 0 HD23 LEU A 49 1.446 -1.788 1.096 1.00 71.34 H new ATOM 685 N VAL A 50 -3.045 -1.980 -2.966 1.00 73.14 N ATOM 686 CA VAL A 50 -3.503 -1.379 -4.177 1.00 2.55 C ATOM 687 C VAL A 50 -3.890 0.065 -3.926 1.00 34.44 C ATOM 688 O VAL A 50 -4.610 0.380 -2.959 1.00 22.12 O ATOM 689 CB VAL A 50 -4.668 -2.193 -4.849 1.00 32.02 C ATOM 690 CG1 VAL A 50 -5.895 -2.308 -3.949 1.00 54.31 C ATOM 691 CG2 VAL A 50 -5.041 -1.610 -6.210 1.00 15.25 C ATOM 0 H VAL A 50 -3.758 -2.085 -2.244 1.00 73.14 H new ATOM 0 HA VAL A 50 -2.680 -1.396 -4.892 1.00 2.55 H new ATOM 0 HB VAL A 50 -4.291 -3.204 -5.003 1.00 32.02 H new ATOM 0 HG11 VAL A 50 -6.669 -2.879 -4.461 1.00 54.31 H new ATOM 0 HG12 VAL A 50 -5.621 -2.815 -3.024 1.00 54.31 H new ATOM 0 HG13 VAL A 50 -6.272 -1.312 -3.718 1.00 54.31 H new ATOM 0 HG21 VAL A 50 -5.849 -2.196 -6.648 1.00 15.25 H new ATOM 0 HG22 VAL A 50 -5.367 -0.577 -6.086 1.00 15.25 H new ATOM 0 HG23 VAL A 50 -4.173 -1.640 -6.869 1.00 15.25 H new ATOM 701 N VAL A 51 -3.365 0.946 -4.733 1.00 53.04 N ATOM 702 CA VAL A 51 -3.691 2.334 -4.611 1.00 30.22 C ATOM 703 C VAL A 51 -4.983 2.551 -5.360 1.00 72.15 C ATOM 704 O VAL A 51 -5.058 2.326 -6.572 1.00 73.42 O ATOM 705 CB VAL A 51 -2.565 3.235 -5.183 1.00 50.24 C ATOM 706 CG1 VAL A 51 -2.860 4.707 -4.929 1.00 22.54 C ATOM 707 CG2 VAL A 51 -1.217 2.850 -4.584 1.00 15.51 C ATOM 0 H VAL A 51 -2.709 0.724 -5.482 1.00 53.04 H new ATOM 0 HA VAL A 51 -3.799 2.605 -3.561 1.00 30.22 H new ATOM 0 HB VAL A 51 -2.524 3.080 -6.261 1.00 50.24 H new ATOM 0 HG11 VAL A 51 -2.055 5.316 -5.340 1.00 22.54 H new ATOM 0 HG12 VAL A 51 -3.801 4.978 -5.409 1.00 22.54 H new ATOM 0 HG13 VAL A 51 -2.936 4.883 -3.856 1.00 22.54 H new ATOM 0 HG21 VAL A 51 -0.439 3.492 -4.996 1.00 15.51 H new ATOM 0 HG22 VAL A 51 -1.252 2.972 -3.501 1.00 15.51 H new ATOM 0 HG23 VAL A 51 -0.995 1.810 -4.825 1.00 15.51 H new ATOM 717 N LYS A 52 -5.982 2.966 -4.640 1.00 41.30 N ATOM 718 CA LYS A 52 -7.313 3.107 -5.170 1.00 53.42 C ATOM 719 C LYS A 52 -7.537 4.541 -5.618 1.00 51.21 C ATOM 720 O LYS A 52 -8.269 4.809 -6.571 1.00 14.23 O ATOM 721 CB LYS A 52 -8.317 2.677 -4.099 1.00 11.54 C ATOM 722 CG LYS A 52 -9.748 2.571 -4.567 1.00 0.24 C ATOM 723 CD LYS A 52 -10.619 1.993 -3.471 1.00 0.24 C ATOM 724 CE LYS A 52 -12.022 1.753 -3.965 1.00 62.31 C ATOM 725 NZ LYS A 52 -12.856 1.074 -2.960 1.00 51.23 N ATOM 0 H LYS A 52 -5.899 3.220 -3.656 1.00 41.30 H new ATOM 0 HA LYS A 52 -7.449 2.469 -6.043 1.00 53.42 H new ATOM 0 HB2 LYS A 52 -8.009 1.710 -3.702 1.00 11.54 H new ATOM 0 HB3 LYS A 52 -8.273 3.389 -3.275 1.00 11.54 H new ATOM 0 HG2 LYS A 52 -10.118 3.556 -4.853 1.00 0.24 H new ATOM 0 HG3 LYS A 52 -9.802 1.940 -5.454 1.00 0.24 H new ATOM 0 HD2 LYS A 52 -10.189 1.056 -3.117 1.00 0.24 H new ATOM 0 HD3 LYS A 52 -10.641 2.675 -2.621 1.00 0.24 H new ATOM 0 HE2 LYS A 52 -12.480 2.706 -4.231 1.00 62.31 H new ATOM 0 HE3 LYS A 52 -11.988 1.151 -4.873 1.00 62.31 H new ATOM 0 HZ1 LYS A 52 -13.812 0.929 -3.343 1.00 51.23 H new ATOM 0 HZ2 LYS A 52 -12.435 0.153 -2.724 1.00 51.23 H new ATOM 0 HZ3 LYS A 52 -12.911 1.659 -2.102 1.00 51.23 H new ATOM 739 N ARG A 53 -6.899 5.456 -4.935 1.00 53.20 N ATOM 740 CA ARG A 53 -6.956 6.853 -5.302 1.00 25.21 C ATOM 741 C ARG A 53 -5.601 7.477 -5.094 1.00 11.24 C ATOM 742 O ARG A 53 -4.928 7.180 -4.101 1.00 41.22 O ATOM 743 CB ARG A 53 -8.012 7.642 -4.515 1.00 4.44 C ATOM 744 CG ARG A 53 -8.001 9.120 -4.885 1.00 20.04 C ATOM 745 CD ARG A 53 -8.912 9.967 -4.047 1.00 30.01 C ATOM 746 NE ARG A 53 -8.679 11.386 -4.339 1.00 35.45 N ATOM 747 CZ ARG A 53 -9.296 12.408 -3.760 1.00 23.51 C ATOM 748 NH1 ARG A 53 -10.268 12.195 -2.887 1.00 72.44 N ATOM 749 NH2 ARG A 53 -8.947 13.651 -4.072 1.00 13.53 N ATOM 0 H ARG A 53 -6.328 5.259 -4.113 1.00 53.20 H new ATOM 0 HA ARG A 53 -7.247 6.897 -6.351 1.00 25.21 H new ATOM 0 HB2 ARG A 53 -9.000 7.225 -4.712 1.00 4.44 H new ATOM 0 HB3 ARG A 53 -7.827 7.533 -3.446 1.00 4.44 H new ATOM 0 HG2 ARG A 53 -6.983 9.499 -4.793 1.00 20.04 H new ATOM 0 HG3 ARG A 53 -8.287 9.224 -5.932 1.00 20.04 H new ATOM 0 HD2 ARG A 53 -9.952 9.710 -4.250 1.00 30.01 H new ATOM 0 HD3 ARG A 53 -8.736 9.770 -2.989 1.00 30.01 H new ATOM 0 HE ARG A 53 -7.981 11.606 -5.050 1.00 35.45 H new ATOM 0 HH11 ARG A 53 -10.546 11.241 -2.656 1.00 72.44 H new ATOM 0 HH12 ARG A 53 -10.739 12.985 -2.445 1.00 72.44 H new ATOM 0 HH21 ARG A 53 -8.207 13.817 -4.754 1.00 13.53 H new ATOM 0 HH22 ARG A 53 -9.419 14.440 -3.629 1.00 13.53 H new ATOM 763 N GLY A 54 -5.212 8.297 -6.026 1.00 50.21 N ATOM 764 CA GLY A 54 -3.970 8.992 -5.975 1.00 12.41 C ATOM 765 C GLY A 54 -3.426 9.110 -7.370 1.00 64.52 C ATOM 766 O GLY A 54 -3.976 8.497 -8.281 1.00 3.10 O ATOM 0 H GLY A 54 -5.765 8.502 -6.858 1.00 50.21 H new ATOM 0 HA2 GLY A 54 -4.108 9.981 -5.539 1.00 12.41 H new ATOM 0 HA3 GLY A 54 -3.264 8.458 -5.338 1.00 12.41 H new ATOM 770 N PRO A 55 -2.393 9.897 -7.603 1.00 72.52 N ATOM 771 CA PRO A 55 -1.777 10.000 -8.931 1.00 5.44 C ATOM 772 C PRO A 55 -1.307 8.625 -9.448 1.00 24.41 C ATOM 773 O PRO A 55 -1.538 8.273 -10.605 1.00 2.43 O ATOM 774 CB PRO A 55 -0.597 10.938 -8.692 1.00 1.40 C ATOM 775 CG PRO A 55 -1.027 11.756 -7.529 1.00 34.40 C ATOM 776 CD PRO A 55 -1.766 10.814 -6.638 1.00 21.23 C ATOM 0 HA PRO A 55 -2.467 10.364 -9.692 1.00 5.44 H new ATOM 0 HB2 PRO A 55 0.317 10.385 -8.476 1.00 1.40 H new ATOM 0 HB3 PRO A 55 -0.395 11.558 -9.565 1.00 1.40 H new ATOM 0 HG2 PRO A 55 -0.170 12.192 -7.016 1.00 34.40 H new ATOM 0 HG3 PRO A 55 -1.665 12.582 -7.843 1.00 34.40 H new ATOM 0 HD2 PRO A 55 -1.097 10.291 -5.955 1.00 21.23 H new ATOM 0 HD3 PRO A 55 -2.507 11.329 -6.026 1.00 21.23 H new ATOM 784 N ASN A 56 -0.707 7.828 -8.569 1.00 51.34 N ATOM 785 CA ASN A 56 -0.245 6.486 -8.931 1.00 22.24 C ATOM 786 C ASN A 56 -1.319 5.403 -8.658 1.00 11.23 C ATOM 787 O ASN A 56 -1.002 4.216 -8.507 1.00 53.35 O ATOM 788 CB ASN A 56 1.080 6.156 -8.224 1.00 73.01 C ATOM 789 CG ASN A 56 0.983 6.174 -6.719 1.00 14.22 C ATOM 790 OD1 ASN A 56 1.155 7.217 -6.090 1.00 40.44 O ATOM 791 ND2 ASN A 56 0.733 5.040 -6.135 1.00 54.31 N ATOM 0 H ASN A 56 -0.528 8.086 -7.599 1.00 51.34 H new ATOM 0 HA ASN A 56 -0.066 6.483 -10.006 1.00 22.24 H new ATOM 0 HB2 ASN A 56 1.418 5.171 -8.546 1.00 73.01 H new ATOM 0 HB3 ASN A 56 1.839 6.872 -8.539 1.00 73.01 H new ATOM 0 HD21 ASN A 56 0.673 4.992 -5.118 1.00 54.31 H new ATOM 0 HD22 ASN A 56 0.597 4.198 -6.694 1.00 54.31 H new ATOM 798 N ALA A 57 -2.582 5.820 -8.606 1.00 62.11 N ATOM 799 CA ALA A 57 -3.719 4.916 -8.402 1.00 23.25 C ATOM 800 C ALA A 57 -3.841 3.930 -9.533 1.00 23.33 C ATOM 801 O ALA A 57 -3.491 4.238 -10.681 1.00 41.33 O ATOM 802 CB ALA A 57 -5.016 5.668 -8.251 1.00 21.41 C ATOM 0 H ALA A 57 -2.850 6.799 -8.704 1.00 62.11 H new ATOM 0 HA ALA A 57 -3.524 4.376 -7.475 1.00 23.25 H new ATOM 0 HB1 ALA A 57 -5.832 4.960 -8.102 1.00 21.41 H new ATOM 0 HB2 ALA A 57 -4.952 6.335 -7.391 1.00 21.41 H new ATOM 0 HB3 ALA A 57 -5.204 6.254 -9.151 1.00 21.41 H new ATOM 808 N GLY A 58 -4.259 2.744 -9.204 1.00 3.24 N ATOM 809 CA GLY A 58 -4.419 1.713 -10.183 1.00 62.15 C ATOM 810 C GLY A 58 -3.306 0.729 -10.090 1.00 74.53 C ATOM 811 O GLY A 58 -3.418 -0.401 -10.564 1.00 21.52 O ATOM 0 H GLY A 58 -4.498 2.465 -8.252 1.00 3.24 H new ATOM 0 HA2 GLY A 58 -5.373 1.207 -10.034 1.00 62.15 H new ATOM 0 HA3 GLY A 58 -4.443 2.151 -11.181 1.00 62.15 H new ATOM 815 N ALA A 59 -2.230 1.153 -9.470 1.00 71.12 N ATOM 816 CA ALA A 59 -1.079 0.317 -9.304 1.00 5.41 C ATOM 817 C ALA A 59 -1.187 -0.473 -8.024 1.00 72.34 C ATOM 818 O ALA A 59 -1.734 0.016 -7.012 1.00 65.52 O ATOM 819 CB ALA A 59 0.194 1.151 -9.297 1.00 33.52 C ATOM 0 H ALA A 59 -2.134 2.086 -9.070 1.00 71.12 H new ATOM 0 HA ALA A 59 -1.035 -0.376 -10.144 1.00 5.41 H new ATOM 0 HB1 ALA A 59 1.057 0.497 -9.170 1.00 33.52 H new ATOM 0 HB2 ALA A 59 0.282 1.688 -10.241 1.00 33.52 H new ATOM 0 HB3 ALA A 59 0.156 1.866 -8.475 1.00 33.52 H new ATOM 825 N ARG A 60 -0.703 -1.678 -8.063 1.00 13.32 N ATOM 826 CA ARG A 60 -0.665 -2.514 -6.902 1.00 44.12 C ATOM 827 C ARG A 60 0.773 -2.863 -6.618 1.00 21.42 C ATOM 828 O ARG A 60 1.533 -3.210 -7.529 1.00 31.01 O ATOM 829 CB ARG A 60 -1.522 -3.780 -7.082 1.00 1.50 C ATOM 830 CG ARG A 60 -1.166 -4.617 -8.306 1.00 3.42 C ATOM 831 CD ARG A 60 -1.986 -5.891 -8.373 1.00 32.41 C ATOM 832 NE ARG A 60 -3.434 -5.636 -8.457 1.00 12.41 N ATOM 833 CZ ARG A 60 -4.374 -6.589 -8.368 1.00 71.23 C ATOM 834 NH1 ARG A 60 -4.023 -7.865 -8.213 1.00 64.32 N ATOM 835 NH2 ARG A 60 -5.666 -6.268 -8.437 1.00 4.23 N ATOM 0 H ARG A 60 -0.322 -2.110 -8.905 1.00 13.32 H new ATOM 0 HA ARG A 60 -1.090 -1.976 -6.055 1.00 44.12 H new ATOM 0 HB2 ARG A 60 -1.422 -4.401 -6.192 1.00 1.50 H new ATOM 0 HB3 ARG A 60 -2.570 -3.487 -7.150 1.00 1.50 H new ATOM 0 HG2 ARG A 60 -1.332 -4.030 -9.209 1.00 3.42 H new ATOM 0 HG3 ARG A 60 -0.106 -4.868 -8.279 1.00 3.42 H new ATOM 0 HD2 ARG A 60 -1.674 -6.473 -9.240 1.00 32.41 H new ATOM 0 HD3 ARG A 60 -1.779 -6.497 -7.491 1.00 32.41 H new ATOM 0 HE ARG A 60 -3.742 -4.673 -8.591 1.00 12.41 H new ATOM 0 HH11 ARG A 60 -3.037 -8.120 -8.162 1.00 64.32 H new ATOM 0 HH12 ARG A 60 -4.741 -8.587 -8.146 1.00 64.32 H new ATOM 0 HH21 ARG A 60 -5.944 -5.294 -8.558 1.00 4.23 H new ATOM 0 HH22 ARG A 60 -6.377 -6.996 -8.369 1.00 4.23 H new ATOM 849 N PHE A 61 1.155 -2.773 -5.395 1.00 64.31 N ATOM 850 CA PHE A 61 2.511 -3.013 -5.024 1.00 72.04 C ATOM 851 C PHE A 61 2.589 -4.195 -4.106 1.00 63.23 C ATOM 852 O PHE A 61 1.902 -4.243 -3.082 1.00 0.01 O ATOM 853 CB PHE A 61 3.129 -1.777 -4.371 1.00 65.04 C ATOM 854 CG PHE A 61 3.162 -0.557 -5.265 1.00 52.14 C ATOM 855 CD1 PHE A 61 4.132 -0.426 -6.245 1.00 12.31 C ATOM 856 CD2 PHE A 61 2.222 0.455 -5.123 1.00 41.34 C ATOM 857 CE1 PHE A 61 4.165 0.687 -7.064 1.00 10.44 C ATOM 858 CE2 PHE A 61 2.251 1.569 -5.939 1.00 43.41 C ATOM 859 CZ PHE A 61 3.223 1.686 -6.910 1.00 22.44 C ATOM 0 H PHE A 61 0.539 -2.531 -4.619 1.00 64.31 H new ATOM 0 HA PHE A 61 3.083 -3.231 -5.926 1.00 72.04 H new ATOM 0 HB2 PHE A 61 2.567 -1.537 -3.468 1.00 65.04 H new ATOM 0 HB3 PHE A 61 4.147 -2.014 -4.060 1.00 65.04 H new ATOM 0 HD1 PHE A 61 4.872 -1.203 -6.371 1.00 12.31 H new ATOM 0 HD2 PHE A 61 1.458 0.370 -4.364 1.00 41.34 H new ATOM 0 HE1 PHE A 61 4.927 0.776 -7.824 1.00 10.44 H new ATOM 0 HE2 PHE A 61 1.513 2.348 -5.817 1.00 43.41 H new ATOM 0 HZ PHE A 61 3.248 2.557 -7.549 1.00 22.44 H new ATOM 869 N LEU A 62 3.391 -5.144 -4.484 1.00 71.43 N ATOM 870 CA LEU A 62 3.573 -6.343 -3.727 1.00 42.33 C ATOM 871 C LEU A 62 4.694 -6.144 -2.736 1.00 50.54 C ATOM 872 O LEU A 62 5.808 -5.762 -3.107 1.00 21.43 O ATOM 873 CB LEU A 62 3.898 -7.518 -4.663 1.00 13.15 C ATOM 874 CG LEU A 62 4.107 -8.892 -4.006 1.00 42.54 C ATOM 875 CD1 LEU A 62 2.830 -9.390 -3.344 1.00 1.23 C ATOM 876 CD2 LEU A 62 4.606 -9.894 -5.030 1.00 25.14 C ATOM 0 H LEU A 62 3.945 -5.106 -5.340 1.00 71.43 H new ATOM 0 HA LEU A 62 2.652 -6.572 -3.190 1.00 42.33 H new ATOM 0 HB2 LEU A 62 3.089 -7.608 -5.388 1.00 13.15 H new ATOM 0 HB3 LEU A 62 4.800 -7.268 -5.221 1.00 13.15 H new ATOM 0 HG LEU A 62 4.861 -8.782 -3.227 1.00 42.54 H new ATOM 0 HD11 LEU A 62 3.012 -10.364 -2.889 1.00 1.23 H new ATOM 0 HD12 LEU A 62 2.519 -8.683 -2.575 1.00 1.23 H new ATOM 0 HD13 LEU A 62 2.043 -9.481 -4.093 1.00 1.23 H new ATOM 0 HD21 LEU A 62 4.750 -10.863 -4.551 1.00 25.14 H new ATOM 0 HD22 LEU A 62 3.874 -9.991 -5.831 1.00 25.14 H new ATOM 0 HD23 LEU A 62 5.554 -9.550 -5.444 1.00 25.14 H new ATOM 888 N LEU A 63 4.392 -6.366 -1.502 1.00 14.10 N ATOM 889 CA LEU A 63 5.352 -6.285 -0.453 1.00 51.22 C ATOM 890 C LEU A 63 6.022 -7.640 -0.382 1.00 3.25 C ATOM 891 O LEU A 63 5.407 -8.626 0.064 1.00 2.52 O ATOM 892 CB LEU A 63 4.642 -5.969 0.864 1.00 60.04 C ATOM 893 CG LEU A 63 3.718 -4.737 0.865 1.00 35.22 C ATOM 894 CD1 LEU A 63 3.041 -4.577 2.213 1.00 25.22 C ATOM 895 CD2 LEU A 63 4.482 -3.473 0.504 1.00 2.04 C ATOM 0 H LEU A 63 3.454 -6.613 -1.188 1.00 14.10 H new ATOM 0 HA LEU A 63 6.085 -5.499 -0.634 1.00 51.22 H new ATOM 0 HB2 LEU A 63 4.052 -6.839 1.151 1.00 60.04 H new ATOM 0 HB3 LEU A 63 5.399 -5.829 1.635 1.00 60.04 H new ATOM 0 HG LEU A 63 2.952 -4.897 0.106 1.00 35.22 H new ATOM 0 HD11 LEU A 63 2.393 -3.701 2.193 1.00 25.22 H new ATOM 0 HD12 LEU A 63 2.446 -5.464 2.429 1.00 25.22 H new ATOM 0 HD13 LEU A 63 3.798 -4.451 2.987 1.00 25.22 H new ATOM 0 HD21 LEU A 63 3.802 -2.621 0.513 1.00 2.04 H new ATOM 0 HD22 LEU A 63 5.278 -3.309 1.230 1.00 2.04 H new ATOM 0 HD23 LEU A 63 4.914 -3.581 -0.491 1.00 2.04 H new ATOM 907 N ASP A 64 7.234 -7.711 -0.873 1.00 55.32 N ATOM 908 CA ASP A 64 7.929 -8.984 -0.996 1.00 53.33 C ATOM 909 C ASP A 64 9.070 -9.112 -0.002 1.00 54.25 C ATOM 910 O ASP A 64 9.471 -10.220 0.362 1.00 52.24 O ATOM 911 CB ASP A 64 8.437 -9.167 -2.440 1.00 64.11 C ATOM 912 CG ASP A 64 9.185 -10.468 -2.664 1.00 41.43 C ATOM 913 OD1 ASP A 64 8.546 -11.504 -2.913 1.00 2.41 O ATOM 914 OD2 ASP A 64 10.438 -10.475 -2.631 1.00 11.04 O ATOM 0 H ASP A 64 7.768 -6.904 -1.197 1.00 55.32 H new ATOM 0 HA ASP A 64 7.217 -9.776 -0.763 1.00 53.33 H new ATOM 0 HB2 ASP A 64 7.588 -9.124 -3.122 1.00 64.11 H new ATOM 0 HB3 ASP A 64 9.092 -8.333 -2.694 1.00 64.11 H new ATOM 919 N GLN A 65 9.552 -7.999 0.492 1.00 42.40 N ATOM 920 CA GLN A 65 10.686 -8.029 1.390 1.00 22.51 C ATOM 921 C GLN A 65 10.259 -7.730 2.809 1.00 35.25 C ATOM 922 O GLN A 65 9.243 -7.060 3.018 1.00 52.34 O ATOM 923 CB GLN A 65 11.782 -7.053 0.943 1.00 23.30 C ATOM 924 CG GLN A 65 11.376 -5.594 0.888 1.00 14.04 C ATOM 925 CD GLN A 65 12.480 -4.698 0.348 1.00 2.55 C ATOM 926 OE1 GLN A 65 12.211 -3.677 -0.274 1.00 1.24 O ATOM 927 NE2 GLN A 65 13.718 -5.052 0.597 1.00 52.01 N ATOM 0 H GLN A 65 9.184 -7.069 0.292 1.00 42.40 H new ATOM 0 HA GLN A 65 11.101 -9.037 1.359 1.00 22.51 H new ATOM 0 HB2 GLN A 65 12.629 -7.151 1.622 1.00 23.30 H new ATOM 0 HB3 GLN A 65 12.129 -7.353 -0.046 1.00 23.30 H new ATOM 0 HG2 GLN A 65 10.490 -5.491 0.261 1.00 14.04 H new ATOM 0 HG3 GLN A 65 11.099 -5.260 1.888 1.00 14.04 H new ATOM 0 HE21 GLN A 65 13.909 -5.908 1.118 1.00 52.01 H new ATOM 0 HE22 GLN A 65 14.490 -4.471 0.270 1.00 52.01 H new ATOM 936 N PRO A 66 11.041 -8.225 3.812 1.00 1.35 N ATOM 937 CA PRO A 66 10.747 -8.039 5.240 1.00 71.41 C ATOM 938 C PRO A 66 10.519 -6.585 5.643 1.00 24.41 C ATOM 939 O PRO A 66 9.847 -6.311 6.637 1.00 62.15 O ATOM 940 CB PRO A 66 11.992 -8.585 5.940 1.00 2.44 C ATOM 941 CG PRO A 66 12.526 -9.600 5.000 1.00 45.11 C ATOM 942 CD PRO A 66 12.256 -9.062 3.626 1.00 35.43 C ATOM 0 HA PRO A 66 9.818 -8.543 5.508 1.00 71.41 H new ATOM 0 HB2 PRO A 66 12.720 -7.796 6.129 1.00 2.44 H new ATOM 0 HB3 PRO A 66 11.744 -9.028 6.905 1.00 2.44 H new ATOM 0 HG2 PRO A 66 13.593 -9.756 5.157 1.00 45.11 H new ATOM 0 HG3 PRO A 66 12.038 -10.564 5.146 1.00 45.11 H new ATOM 0 HD2 PRO A 66 13.095 -8.474 3.253 1.00 35.43 H new ATOM 0 HD3 PRO A 66 12.085 -9.864 2.908 1.00 35.43 H new ATOM 950 N THR A 67 11.077 -5.653 4.922 1.00 34.40 N ATOM 951 CA THR A 67 10.820 -4.277 5.224 1.00 60.54 C ATOM 952 C THR A 67 10.680 -3.483 3.933 1.00 5.33 C ATOM 953 O THR A 67 11.595 -3.413 3.129 1.00 54.54 O ATOM 954 CB THR A 67 11.942 -3.689 6.127 1.00 53.02 C ATOM 955 OG1 THR A 67 12.046 -4.491 7.328 1.00 65.12 O ATOM 956 CG2 THR A 67 11.634 -2.244 6.522 1.00 45.13 C ATOM 0 H THR A 67 11.703 -5.819 4.134 1.00 34.40 H new ATOM 0 HA THR A 67 9.884 -4.206 5.778 1.00 60.54 H new ATOM 0 HB THR A 67 12.878 -3.703 5.569 1.00 53.02 H new ATOM 0 HG1 THR A 67 12.752 -4.129 7.903 1.00 65.12 H new ATOM 0 HG21 THR A 67 12.436 -1.860 7.153 1.00 45.13 H new ATOM 0 HG22 THR A 67 11.553 -1.631 5.624 1.00 45.13 H new ATOM 0 HG23 THR A 67 10.693 -2.210 7.071 1.00 45.13 H new ATOM 964 N THR A 68 9.543 -2.885 3.759 1.00 73.05 N ATOM 965 CA THR A 68 9.279 -2.105 2.602 1.00 34.13 C ATOM 966 C THR A 68 9.058 -0.662 3.017 1.00 51.51 C ATOM 967 O THR A 68 8.117 -0.358 3.753 1.00 2.04 O ATOM 968 CB THR A 68 8.040 -2.645 1.846 1.00 70.01 C ATOM 969 OG1 THR A 68 8.238 -4.044 1.547 1.00 54.13 O ATOM 970 CG2 THR A 68 7.831 -1.885 0.540 1.00 72.23 C ATOM 0 H THR A 68 8.770 -2.928 4.423 1.00 73.05 H new ATOM 0 HA THR A 68 10.133 -2.164 1.927 1.00 34.13 H new ATOM 0 HB THR A 68 7.162 -2.511 2.477 1.00 70.01 H new ATOM 0 HG1 THR A 68 7.455 -4.391 1.070 1.00 54.13 H new ATOM 0 HG21 THR A 68 6.956 -2.280 0.025 1.00 72.23 H new ATOM 0 HG22 THR A 68 7.679 -0.827 0.755 1.00 72.23 H new ATOM 0 HG23 THR A 68 8.709 -2.003 -0.094 1.00 72.23 H new ATOM 978 N THR A 69 9.940 0.197 2.607 1.00 51.54 N ATOM 979 CA THR A 69 9.832 1.586 2.892 1.00 13.54 C ATOM 980 C THR A 69 8.990 2.268 1.827 1.00 43.04 C ATOM 981 O THR A 69 9.124 1.970 0.622 1.00 42.24 O ATOM 982 CB THR A 69 11.236 2.206 2.997 1.00 32.31 C ATOM 983 OG1 THR A 69 12.112 1.532 2.067 1.00 3.43 O ATOM 984 CG2 THR A 69 11.786 2.063 4.411 1.00 41.02 C ATOM 0 H THR A 69 10.763 -0.054 2.059 1.00 51.54 H new ATOM 0 HA THR A 69 9.332 1.730 3.850 1.00 13.54 H new ATOM 0 HB THR A 69 11.176 3.268 2.759 1.00 32.31 H new ATOM 0 HG1 THR A 69 12.897 2.092 1.893 1.00 3.43 H new ATOM 0 HG21 THR A 69 12.780 2.508 4.462 1.00 41.02 H new ATOM 0 HG22 THR A 69 11.124 2.572 5.112 1.00 41.02 H new ATOM 0 HG23 THR A 69 11.848 1.007 4.672 1.00 41.02 H new ATOM 992 N ALA A 70 8.103 3.133 2.261 1.00 3.51 N ATOM 993 CA ALA A 70 7.208 3.801 1.370 1.00 61.14 C ATOM 994 C ALA A 70 7.422 5.293 1.418 1.00 12.12 C ATOM 995 O ALA A 70 7.546 5.899 2.508 1.00 12.31 O ATOM 996 CB ALA A 70 5.774 3.472 1.738 1.00 13.22 C ATOM 0 H ALA A 70 7.988 3.387 3.242 1.00 3.51 H new ATOM 0 HA ALA A 70 7.408 3.457 0.355 1.00 61.14 H new ATOM 0 HB1 ALA A 70 5.096 3.984 1.055 1.00 13.22 H new ATOM 0 HB2 ALA A 70 5.617 2.396 1.665 1.00 13.22 H new ATOM 0 HB3 ALA A 70 5.576 3.799 2.759 1.00 13.22 H new ATOM 1002 N GLY A 71 7.465 5.872 0.260 1.00 43.25 N ATOM 1003 CA GLY A 71 7.642 7.279 0.125 1.00 31.54 C ATOM 1004 C GLY A 71 8.646 7.549 -0.946 1.00 32.03 C ATOM 1005 O GLY A 71 9.186 6.610 -1.530 1.00 33.55 O ATOM 0 H GLY A 71 7.377 5.374 -0.626 1.00 43.25 H new ATOM 0 HA2 GLY A 71 6.693 7.755 -0.122 1.00 31.54 H new ATOM 0 HA3 GLY A 71 7.977 7.707 1.070 1.00 31.54 H new ATOM 1009 N ARG A 72 8.895 8.782 -1.224 1.00 30.00 N ATOM 1010 CA ARG A 72 9.867 9.133 -2.220 1.00 63.04 C ATOM 1011 C ARG A 72 11.249 9.166 -1.582 1.00 61.12 C ATOM 1012 O ARG A 72 11.515 9.988 -0.736 1.00 21.42 O ATOM 1013 CB ARG A 72 9.479 10.509 -2.778 1.00 4.14 C ATOM 1014 CG ARG A 72 10.565 11.270 -3.515 1.00 22.42 C ATOM 1015 CD ARG A 72 10.017 12.575 -4.052 1.00 44.34 C ATOM 1016 NE ARG A 72 11.073 13.522 -4.415 1.00 74.30 N ATOM 1017 CZ ARG A 72 10.889 14.655 -5.110 1.00 61.24 C ATOM 1018 NH1 ARG A 72 9.694 14.946 -5.652 1.00 3.22 N ATOM 1019 NH2 ARG A 72 11.889 15.507 -5.232 1.00 44.43 N ATOM 0 H ARG A 72 8.438 9.576 -0.775 1.00 30.00 H new ATOM 0 HA ARG A 72 9.891 8.404 -3.030 1.00 63.04 H new ATOM 0 HB2 ARG A 72 8.635 10.377 -3.455 1.00 4.14 H new ATOM 0 HB3 ARG A 72 9.130 11.127 -1.951 1.00 4.14 H new ATOM 0 HG2 ARG A 72 11.401 11.467 -2.843 1.00 22.42 H new ATOM 0 HG3 ARG A 72 10.951 10.664 -4.335 1.00 22.42 H new ATOM 0 HD2 ARG A 72 9.399 12.373 -4.927 1.00 44.34 H new ATOM 0 HD3 ARG A 72 9.369 13.029 -3.302 1.00 44.34 H new ATOM 0 HE ARG A 72 12.023 13.303 -4.116 1.00 74.30 H new ATOM 0 HH11 ARG A 72 8.912 14.302 -5.538 1.00 3.22 H new ATOM 0 HH12 ARG A 72 9.569 15.811 -6.178 1.00 3.22 H new ATOM 0 HH21 ARG A 72 12.790 15.301 -4.800 1.00 44.43 H new ATOM 0 HH22 ARG A 72 11.761 16.372 -5.758 1.00 44.43 H new ATOM 1033 N HIS A 73 12.128 8.310 -2.045 1.00 61.12 N ATOM 1034 CA HIS A 73 13.496 8.222 -1.545 1.00 34.24 C ATOM 1035 C HIS A 73 14.181 7.090 -2.279 1.00 5.11 C ATOM 1036 O HIS A 73 13.528 6.100 -2.612 1.00 65.11 O ATOM 1037 CB HIS A 73 13.542 7.932 -0.016 1.00 22.41 C ATOM 1038 CG HIS A 73 14.438 8.874 0.754 1.00 70.54 C ATOM 1039 ND1 HIS A 73 15.469 8.486 1.604 1.00 71.44 N ATOM 1040 CD2 HIS A 73 14.393 10.223 0.834 1.00 73.01 C ATOM 1041 CE1 HIS A 73 15.980 9.589 2.156 1.00 41.34 C ATOM 1042 NE2 HIS A 73 15.359 10.672 1.722 1.00 60.01 N ATOM 0 H HIS A 73 11.920 7.643 -2.788 1.00 61.12 H new ATOM 0 HA HIS A 73 13.993 9.177 -1.714 1.00 34.24 H new ATOM 0 HB2 HIS A 73 12.531 7.995 0.387 1.00 22.41 H new ATOM 0 HB3 HIS A 73 13.885 6.909 0.141 1.00 22.41 H new ATOM 0 HD1 HIS A 73 15.779 7.529 1.775 1.00 71.44 H new ATOM 0 HD2 HIS A 73 13.708 10.855 0.289 1.00 73.01 H new ATOM 0 HE1 HIS A 73 16.795 9.595 2.865 1.00 41.34 H new ATOM 1050 N PRO A 74 15.490 7.208 -2.554 1.00 64.02 N ATOM 1051 CA PRO A 74 16.267 6.167 -3.264 1.00 53.15 C ATOM 1052 C PRO A 74 16.312 4.813 -2.529 1.00 42.20 C ATOM 1053 O PRO A 74 16.674 3.789 -3.119 1.00 63.45 O ATOM 1054 CB PRO A 74 17.678 6.758 -3.321 1.00 0.15 C ATOM 1055 CG PRO A 74 17.490 8.220 -3.170 1.00 44.10 C ATOM 1056 CD PRO A 74 16.326 8.392 -2.256 1.00 71.34 C ATOM 0 HA PRO A 74 15.818 5.945 -4.232 1.00 53.15 H new ATOM 0 HB2 PRO A 74 18.306 6.357 -2.525 1.00 0.15 H new ATOM 0 HB3 PRO A 74 18.168 6.519 -4.265 1.00 0.15 H new ATOM 0 HG2 PRO A 74 18.383 8.688 -2.756 1.00 44.10 H new ATOM 0 HG3 PRO A 74 17.301 8.691 -4.135 1.00 44.10 H new ATOM 0 HD2 PRO A 74 16.634 8.416 -1.211 1.00 71.34 H new ATOM 0 HD3 PRO A 74 15.793 9.322 -2.452 1.00 71.34 H new ATOM 1064 N GLU A 75 15.958 4.815 -1.261 1.00 62.35 N ATOM 1065 CA GLU A 75 15.985 3.604 -0.451 1.00 74.23 C ATOM 1066 C GLU A 75 14.574 3.064 -0.217 1.00 64.31 C ATOM 1067 O GLU A 75 14.383 2.114 0.557 1.00 12.44 O ATOM 1068 CB GLU A 75 16.646 3.899 0.882 1.00 15.35 C ATOM 1069 CG GLU A 75 15.879 4.902 1.715 1.00 2.54 C ATOM 1070 CD GLU A 75 16.640 5.350 2.904 1.00 34.43 C ATOM 1071 OE1 GLU A 75 16.592 4.673 3.953 1.00 22.14 O ATOM 1072 OE2 GLU A 75 17.274 6.401 2.822 1.00 64.45 O ATOM 0 H GLU A 75 15.645 5.647 -0.761 1.00 62.35 H new ATOM 0 HA GLU A 75 16.555 2.846 -0.988 1.00 74.23 H new ATOM 0 HB2 GLU A 75 16.747 2.971 1.444 1.00 15.35 H new ATOM 0 HB3 GLU A 75 17.653 4.276 0.706 1.00 15.35 H new ATOM 0 HG2 GLU A 75 15.630 5.767 1.099 1.00 2.54 H new ATOM 0 HG3 GLU A 75 14.937 4.458 2.036 1.00 2.54 H new ATOM 1079 N SER A 76 13.605 3.657 -0.851 1.00 45.32 N ATOM 1080 CA SER A 76 12.246 3.227 -0.701 1.00 71.25 C ATOM 1081 C SER A 76 11.847 2.374 -1.891 1.00 73.11 C ATOM 1082 O SER A 76 12.007 2.793 -3.043 1.00 64.40 O ATOM 1083 CB SER A 76 11.338 4.439 -0.556 1.00 5.13 C ATOM 1084 OG SER A 76 11.750 5.244 0.549 1.00 74.30 O ATOM 0 H SER A 76 13.733 4.447 -1.483 1.00 45.32 H new ATOM 0 HA SER A 76 12.146 2.621 0.199 1.00 71.25 H new ATOM 0 HB2 SER A 76 11.361 5.029 -1.472 1.00 5.13 H new ATOM 0 HB3 SER A 76 10.308 4.114 -0.412 1.00 5.13 H new ATOM 0 HG SER A 76 11.157 6.020 0.627 1.00 74.30 H new ATOM 1090 N ASP A 77 11.371 1.169 -1.610 1.00 10.14 N ATOM 1091 CA ASP A 77 10.973 0.220 -2.659 1.00 33.33 C ATOM 1092 C ASP A 77 9.789 0.742 -3.439 1.00 1.22 C ATOM 1093 O ASP A 77 9.804 0.769 -4.676 1.00 54.23 O ATOM 1094 CB ASP A 77 10.656 -1.168 -2.062 1.00 73.42 C ATOM 1095 CG ASP A 77 10.163 -2.195 -3.090 1.00 72.13 C ATOM 1096 OD1 ASP A 77 10.772 -2.318 -4.187 1.00 14.23 O ATOM 1097 OD2 ASP A 77 9.156 -2.896 -2.823 1.00 2.21 O ATOM 0 H ASP A 77 11.248 0.817 -0.661 1.00 10.14 H new ATOM 0 HA ASP A 77 11.814 0.112 -3.344 1.00 33.33 H new ATOM 0 HB2 ASP A 77 11.552 -1.556 -1.577 1.00 73.42 H new ATOM 0 HB3 ASP A 77 9.898 -1.054 -1.287 1.00 73.42 H new ATOM 1102 N ILE A 78 8.779 1.188 -2.738 1.00 2.41 N ATOM 1103 CA ILE A 78 7.614 1.682 -3.402 1.00 72.54 C ATOM 1104 C ILE A 78 7.417 3.163 -3.113 1.00 54.14 C ATOM 1105 O ILE A 78 7.504 3.613 -1.956 1.00 10.15 O ATOM 1106 CB ILE A 78 6.330 0.801 -3.131 1.00 54.32 C ATOM 1107 CG1 ILE A 78 5.840 0.818 -1.666 1.00 34.05 C ATOM 1108 CG2 ILE A 78 6.583 -0.635 -3.560 1.00 10.41 C ATOM 1109 CD1 ILE A 78 4.879 1.948 -1.338 1.00 72.44 C ATOM 0 H ILE A 78 8.744 1.217 -1.719 1.00 2.41 H new ATOM 0 HA ILE A 78 7.779 1.591 -4.476 1.00 72.54 H new ATOM 0 HB ILE A 78 5.536 1.253 -3.725 1.00 54.32 H new ATOM 0 HG12 ILE A 78 5.352 -0.132 -1.448 1.00 34.05 H new ATOM 0 HG13 ILE A 78 6.705 0.891 -1.007 1.00 34.05 H new ATOM 0 HG21 ILE A 78 5.693 -1.234 -3.369 1.00 10.41 H new ATOM 0 HG22 ILE A 78 6.817 -0.661 -4.624 1.00 10.41 H new ATOM 0 HG23 ILE A 78 7.422 -1.041 -2.994 1.00 10.41 H new ATOM 0 HD11 ILE A 78 4.586 1.884 -0.290 1.00 72.44 H new ATOM 0 HD12 ILE A 78 5.367 2.905 -1.520 1.00 72.44 H new ATOM 0 HD13 ILE A 78 3.993 1.867 -1.968 1.00 72.44 H new ATOM 1121 N PHE A 79 7.217 3.925 -4.150 1.00 32.43 N ATOM 1122 CA PHE A 79 7.042 5.340 -4.007 1.00 11.41 C ATOM 1123 C PHE A 79 5.698 5.786 -4.535 1.00 12.44 C ATOM 1124 O PHE A 79 5.188 5.251 -5.525 1.00 4.32 O ATOM 1125 CB PHE A 79 8.210 6.146 -4.639 1.00 60.11 C ATOM 1126 CG PHE A 79 8.508 5.853 -6.093 1.00 35.51 C ATOM 1127 CD1 PHE A 79 7.828 6.513 -7.108 1.00 31.44 C ATOM 1128 CD2 PHE A 79 9.485 4.931 -6.437 1.00 43.52 C ATOM 1129 CE1 PHE A 79 8.117 6.257 -8.433 1.00 33.54 C ATOM 1130 CE2 PHE A 79 9.777 4.670 -7.762 1.00 41.42 C ATOM 1131 CZ PHE A 79 9.092 5.332 -8.762 1.00 25.51 C ATOM 0 H PHE A 79 7.171 3.586 -5.111 1.00 32.43 H new ATOM 0 HA PHE A 79 7.061 5.557 -2.939 1.00 11.41 H new ATOM 0 HB2 PHE A 79 7.986 7.208 -4.542 1.00 60.11 H new ATOM 0 HB3 PHE A 79 9.113 5.956 -4.058 1.00 60.11 H new ATOM 0 HD1 PHE A 79 7.064 7.235 -6.858 1.00 31.44 H new ATOM 0 HD2 PHE A 79 10.024 4.410 -5.660 1.00 43.52 H new ATOM 0 HE1 PHE A 79 7.582 6.779 -9.213 1.00 33.54 H new ATOM 0 HE2 PHE A 79 10.540 3.949 -8.015 1.00 41.42 H new ATOM 0 HZ PHE A 79 9.317 5.128 -9.798 1.00 25.51 H new ATOM 1141 N LEU A 80 5.129 6.736 -3.857 1.00 54.22 N ATOM 1142 CA LEU A 80 3.854 7.312 -4.211 1.00 53.12 C ATOM 1143 C LEU A 80 4.128 8.673 -4.776 1.00 1.22 C ATOM 1144 O LEU A 80 5.046 9.378 -4.296 1.00 5.40 O ATOM 1145 CB LEU A 80 2.977 7.459 -2.954 1.00 31.02 C ATOM 1146 CG LEU A 80 2.716 6.184 -2.135 1.00 33.24 C ATOM 1147 CD1 LEU A 80 1.895 6.510 -0.901 1.00 70.14 C ATOM 1148 CD2 LEU A 80 2.012 5.125 -2.970 1.00 12.23 C ATOM 0 H LEU A 80 5.544 7.147 -3.020 1.00 54.22 H new ATOM 0 HA LEU A 80 3.333 6.678 -4.929 1.00 53.12 H new ATOM 0 HB2 LEU A 80 3.444 8.194 -2.298 1.00 31.02 H new ATOM 0 HB3 LEU A 80 2.014 7.870 -3.258 1.00 31.02 H new ATOM 0 HG LEU A 80 3.680 5.782 -1.825 1.00 33.24 H new ATOM 0 HD11 LEU A 80 1.718 5.598 -0.331 1.00 70.14 H new ATOM 0 HD12 LEU A 80 2.437 7.226 -0.282 1.00 70.14 H new ATOM 0 HD13 LEU A 80 0.940 6.941 -1.203 1.00 70.14 H new ATOM 0 HD21 LEU A 80 1.842 4.236 -2.362 1.00 12.23 H new ATOM 0 HD22 LEU A 80 1.056 5.514 -3.320 1.00 12.23 H new ATOM 0 HD23 LEU A 80 2.633 4.865 -3.827 1.00 12.23 H new ATOM 1160 N ASP A 81 3.419 9.039 -5.796 1.00 2.40 N ATOM 1161 CA ASP A 81 3.587 10.351 -6.351 1.00 41.31 C ATOM 1162 C ASP A 81 2.603 11.234 -5.659 1.00 33.43 C ATOM 1163 O ASP A 81 1.413 11.044 -5.792 1.00 44.32 O ATOM 1164 CB ASP A 81 3.365 10.349 -7.861 1.00 25.52 C ATOM 1165 CG ASP A 81 3.490 11.728 -8.450 1.00 64.51 C ATOM 1166 OD1 ASP A 81 4.454 12.438 -8.126 1.00 13.32 O ATOM 1167 OD2 ASP A 81 2.641 12.124 -9.271 1.00 40.03 O ATOM 0 H ASP A 81 2.723 8.456 -6.261 1.00 2.40 H new ATOM 0 HA ASP A 81 4.605 10.709 -6.198 1.00 41.31 H new ATOM 0 HB2 ASP A 81 4.090 9.686 -8.333 1.00 25.52 H new ATOM 0 HB3 ASP A 81 2.375 9.949 -8.082 1.00 25.52 H new ATOM 1172 N ASP A 82 3.096 12.188 -4.948 1.00 60.43 N ATOM 1173 CA ASP A 82 2.279 12.979 -4.043 1.00 22.13 C ATOM 1174 C ASP A 82 2.261 14.420 -4.519 1.00 44.15 C ATOM 1175 O ASP A 82 3.106 14.830 -5.329 1.00 64.33 O ATOM 1176 CB ASP A 82 2.915 12.872 -2.637 1.00 4.32 C ATOM 1177 CG ASP A 82 2.104 13.410 -1.447 1.00 15.03 C ATOM 1178 OD1 ASP A 82 1.633 14.572 -1.478 1.00 25.35 O ATOM 1179 OD2 ASP A 82 2.029 12.694 -0.430 1.00 31.33 O ATOM 0 H ASP A 82 4.080 12.457 -4.965 1.00 60.43 H new ATOM 0 HA ASP A 82 1.250 12.619 -4.014 1.00 22.13 H new ATOM 0 HB2 ASP A 82 3.135 11.821 -2.447 1.00 4.32 H new ATOM 0 HB3 ASP A 82 3.869 13.398 -2.659 1.00 4.32 H new ATOM 1184 N VAL A 83 1.336 15.177 -4.009 1.00 34.12 N ATOM 1185 CA VAL A 83 1.164 16.577 -4.340 1.00 33.35 C ATOM 1186 C VAL A 83 2.286 17.362 -3.646 1.00 35.25 C ATOM 1187 O VAL A 83 2.796 18.375 -4.159 1.00 10.13 O ATOM 1188 CB VAL A 83 -0.211 17.079 -3.812 1.00 15.34 C ATOM 1189 CG1 VAL A 83 -0.486 18.517 -4.219 1.00 10.23 C ATOM 1190 CG2 VAL A 83 -1.342 16.159 -4.255 1.00 31.20 C ATOM 0 H VAL A 83 0.655 14.836 -3.330 1.00 34.12 H new ATOM 0 HA VAL A 83 1.200 16.717 -5.420 1.00 33.35 H new ATOM 0 HB VAL A 83 -0.163 17.055 -2.723 1.00 15.34 H new ATOM 0 HG11 VAL A 83 -1.456 18.826 -3.829 1.00 10.23 H new ATOM 0 HG12 VAL A 83 0.291 19.165 -3.814 1.00 10.23 H new ATOM 0 HG13 VAL A 83 -0.491 18.593 -5.306 1.00 10.23 H new ATOM 0 HG21 VAL A 83 -2.290 16.536 -3.871 1.00 31.20 H new ATOM 0 HG22 VAL A 83 -1.379 16.127 -5.344 1.00 31.20 H new ATOM 0 HG23 VAL A 83 -1.167 15.155 -3.868 1.00 31.20 H new ATOM 1200 N THR A 84 2.676 16.852 -2.509 1.00 11.23 N ATOM 1201 CA THR A 84 3.714 17.402 -1.686 1.00 2.12 C ATOM 1202 C THR A 84 4.859 16.359 -1.653 1.00 55.53 C ATOM 1203 O THR A 84 4.693 15.263 -2.165 1.00 34.11 O ATOM 1204 CB THR A 84 3.113 17.661 -0.284 1.00 22.54 C ATOM 1205 OG1 THR A 84 1.918 18.432 -0.465 1.00 41.20 O ATOM 1206 CG2 THR A 84 4.047 18.444 0.612 1.00 74.12 C ATOM 0 H THR A 84 2.261 16.007 -2.117 1.00 11.23 H new ATOM 0 HA THR A 84 4.110 18.346 -2.061 1.00 2.12 H new ATOM 0 HB THR A 84 2.926 16.699 0.193 1.00 22.54 H new ATOM 0 HG1 THR A 84 1.137 17.843 -0.410 1.00 41.20 H new ATOM 0 HG21 THR A 84 3.576 18.598 1.583 1.00 74.12 H new ATOM 0 HG22 THR A 84 4.976 17.889 0.743 1.00 74.12 H new ATOM 0 HG23 THR A 84 4.263 19.410 0.157 1.00 74.12 H new ATOM 1214 N VAL A 85 5.999 16.684 -1.119 1.00 50.43 N ATOM 1215 CA VAL A 85 7.085 15.732 -1.134 1.00 52.41 C ATOM 1216 C VAL A 85 7.104 14.884 0.142 1.00 63.24 C ATOM 1217 O VAL A 85 7.587 15.309 1.195 1.00 62.31 O ATOM 1218 CB VAL A 85 8.460 16.416 -1.371 1.00 55.32 C ATOM 1219 CG1 VAL A 85 9.580 15.398 -1.416 1.00 71.24 C ATOM 1220 CG2 VAL A 85 8.440 17.226 -2.659 1.00 42.32 C ATOM 0 H VAL A 85 6.205 17.579 -0.675 1.00 50.43 H new ATOM 0 HA VAL A 85 6.907 15.065 -1.978 1.00 52.41 H new ATOM 0 HB VAL A 85 8.643 17.088 -0.533 1.00 55.32 H new ATOM 0 HG11 VAL A 85 10.529 15.908 -1.583 1.00 71.24 H new ATOM 0 HG12 VAL A 85 9.620 14.859 -0.470 1.00 71.24 H new ATOM 0 HG13 VAL A 85 9.399 14.693 -2.228 1.00 71.24 H new ATOM 0 HG21 VAL A 85 9.412 17.697 -2.808 1.00 42.32 H new ATOM 0 HG22 VAL A 85 8.224 16.567 -3.500 1.00 42.32 H new ATOM 0 HG23 VAL A 85 7.670 17.995 -2.593 1.00 42.32 H new ATOM 1230 N SER A 86 6.558 13.706 0.040 1.00 15.04 N ATOM 1231 CA SER A 86 6.537 12.757 1.118 1.00 41.30 C ATOM 1232 C SER A 86 7.689 11.751 0.963 1.00 44.42 C ATOM 1233 O SER A 86 7.578 10.755 0.244 1.00 42.14 O ATOM 1234 CB SER A 86 5.166 12.073 1.141 1.00 12.00 C ATOM 1235 OG SER A 86 4.706 11.825 -0.196 1.00 41.43 O ATOM 0 H SER A 86 6.106 13.371 -0.811 1.00 15.04 H new ATOM 0 HA SER A 86 6.686 13.260 2.074 1.00 41.30 H new ATOM 0 HB2 SER A 86 5.231 11.133 1.690 1.00 12.00 H new ATOM 0 HB3 SER A 86 4.448 12.701 1.668 1.00 12.00 H new ATOM 0 HG SER A 86 3.741 11.988 -0.245 1.00 41.43 H new ATOM 1241 N ARG A 87 8.828 12.058 1.572 1.00 65.52 N ATOM 1242 CA ARG A 87 9.988 11.197 1.416 1.00 32.20 C ATOM 1243 C ARG A 87 9.970 9.980 2.333 1.00 3.11 C ATOM 1244 O ARG A 87 10.236 8.861 1.905 1.00 33.24 O ATOM 1245 CB ARG A 87 11.334 11.945 1.514 1.00 11.21 C ATOM 1246 CG ARG A 87 11.737 12.473 2.871 1.00 21.43 C ATOM 1247 CD ARG A 87 13.158 12.992 2.841 1.00 51.23 C ATOM 1248 NE ARG A 87 13.601 13.533 4.124 1.00 20.31 N ATOM 1249 CZ ARG A 87 14.848 13.395 4.622 1.00 23.40 C ATOM 1250 NH1 ARG A 87 15.760 12.660 3.979 1.00 13.23 N ATOM 1251 NH2 ARG A 87 15.177 13.983 5.757 1.00 41.12 N ATOM 0 H ARG A 87 8.970 12.876 2.164 1.00 65.52 H new ATOM 0 HA ARG A 87 9.906 10.828 0.394 1.00 32.20 H new ATOM 0 HB2 ARG A 87 12.119 11.273 1.167 1.00 11.21 H new ATOM 0 HB3 ARG A 87 11.304 12.785 0.821 1.00 11.21 H new ATOM 0 HG2 ARG A 87 11.059 13.271 3.172 1.00 21.43 H new ATOM 0 HG3 ARG A 87 11.649 11.682 3.616 1.00 21.43 H new ATOM 0 HD2 ARG A 87 13.827 12.184 2.545 1.00 51.23 H new ATOM 0 HD3 ARG A 87 13.238 13.768 2.080 1.00 51.23 H new ATOM 0 HE ARG A 87 12.921 14.050 4.682 1.00 20.31 H new ATOM 0 HH11 ARG A 87 15.517 12.197 3.103 1.00 13.23 H new ATOM 0 HH12 ARG A 87 16.700 12.562 4.364 1.00 13.23 H new ATOM 0 HH21 ARG A 87 14.488 14.543 6.260 1.00 41.12 H new ATOM 0 HH22 ARG A 87 16.120 13.877 6.132 1.00 41.12 H new ATOM 1265 N ARG A 88 9.645 10.188 3.571 1.00 41.54 N ATOM 1266 CA ARG A 88 9.664 9.119 4.522 1.00 41.23 C ATOM 1267 C ARG A 88 8.319 9.099 5.173 1.00 44.34 C ATOM 1268 O ARG A 88 8.091 9.808 6.148 1.00 23.55 O ATOM 1269 CB ARG A 88 10.770 9.368 5.560 1.00 64.42 C ATOM 1270 CG ARG A 88 11.210 8.146 6.351 1.00 4.21 C ATOM 1271 CD ARG A 88 11.912 7.152 5.440 1.00 51.33 C ATOM 1272 NE ARG A 88 12.562 6.060 6.178 1.00 75.23 N ATOM 1273 CZ ARG A 88 13.835 5.661 5.983 1.00 42.40 C ATOM 1274 NH1 ARG A 88 14.626 6.322 5.133 1.00 11.20 N ATOM 1275 NH2 ARG A 88 14.319 4.632 6.664 1.00 0.31 N ATOM 0 H ARG A 88 9.362 11.092 3.949 1.00 41.54 H new ATOM 0 HA ARG A 88 9.871 8.161 4.045 1.00 41.23 H new ATOM 0 HB2 ARG A 88 11.639 9.780 5.048 1.00 64.42 H new ATOM 0 HB3 ARG A 88 10.423 10.127 6.261 1.00 64.42 H new ATOM 0 HG2 ARG A 88 11.880 8.448 7.156 1.00 4.21 H new ATOM 0 HG3 ARG A 88 10.344 7.675 6.816 1.00 4.21 H new ATOM 0 HD2 ARG A 88 11.187 6.732 4.743 1.00 51.33 H new ATOM 0 HD3 ARG A 88 12.659 7.677 4.845 1.00 51.33 H new ATOM 0 HE ARG A 88 12.013 5.571 6.885 1.00 75.23 H new ATOM 0 HH11 ARG A 88 14.268 7.133 4.628 1.00 11.20 H new ATOM 0 HH12 ARG A 88 15.588 6.016 4.989 1.00 11.20 H new ATOM 0 HH21 ARG A 88 13.728 4.142 7.336 1.00 0.31 H new ATOM 0 HH22 ARG A 88 15.282 4.330 6.516 1.00 0.31 H new ATOM 1289 N HIS A 89 7.407 8.389 4.571 1.00 23.24 N ATOM 1290 CA HIS A 89 6.042 8.398 5.036 1.00 21.42 C ATOM 1291 C HIS A 89 5.709 7.163 5.886 1.00 22.01 C ATOM 1292 O HIS A 89 5.273 7.289 7.028 1.00 41.45 O ATOM 1293 CB HIS A 89 5.104 8.531 3.825 1.00 43.32 C ATOM 1294 CG HIS A 89 3.650 8.588 4.158 1.00 75.45 C ATOM 1295 ND1 HIS A 89 2.832 7.531 3.894 1.00 61.33 N ATOM 1296 CD2 HIS A 89 2.919 9.592 4.707 1.00 24.13 C ATOM 1297 CE1 HIS A 89 1.638 7.900 4.283 1.00 10.54 C ATOM 1298 NE2 HIS A 89 1.634 9.140 4.780 1.00 24.01 N ATOM 0 H HIS A 89 7.580 7.797 3.759 1.00 23.24 H new ATOM 0 HA HIS A 89 5.900 9.255 5.695 1.00 21.42 H new ATOM 0 HB2 HIS A 89 5.371 9.433 3.275 1.00 43.32 H new ATOM 0 HB3 HIS A 89 5.276 7.687 3.157 1.00 43.32 H new ATOM 0 HD1 HIS A 89 3.095 6.637 3.479 1.00 61.33 H new ATOM 0 HD2 HIS A 89 3.283 10.558 5.024 1.00 24.13 H new ATOM 0 HE1 HIS A 89 0.760 7.276 4.211 1.00 10.54 H new ATOM 1306 N ALA A 90 5.980 5.985 5.375 1.00 20.42 N ATOM 1307 CA ALA A 90 5.605 4.782 6.091 1.00 44.12 C ATOM 1308 C ALA A 90 6.592 3.663 5.846 1.00 51.11 C ATOM 1309 O ALA A 90 7.403 3.718 4.907 1.00 4.41 O ATOM 1310 CB ALA A 90 4.200 4.342 5.680 1.00 40.34 C ATOM 0 H ALA A 90 6.450 5.831 4.483 1.00 20.42 H new ATOM 0 HA ALA A 90 5.614 5.010 7.157 1.00 44.12 H new ATOM 0 HB1 ALA A 90 3.928 3.437 6.224 1.00 40.34 H new ATOM 0 HB2 ALA A 90 3.488 5.133 5.914 1.00 40.34 H new ATOM 0 HB3 ALA A 90 4.180 4.141 4.609 1.00 40.34 H new ATOM 1316 N GLU A 91 6.540 2.678 6.695 1.00 13.44 N ATOM 1317 CA GLU A 91 7.341 1.493 6.579 1.00 65.11 C ATOM 1318 C GLU A 91 6.474 0.275 6.868 1.00 44.14 C ATOM 1319 O GLU A 91 5.670 0.268 7.806 1.00 14.14 O ATOM 1320 CB GLU A 91 8.568 1.538 7.509 1.00 54.11 C ATOM 1321 CG GLU A 91 8.236 1.750 8.977 1.00 53.25 C ATOM 1322 CD GLU A 91 9.451 1.714 9.860 1.00 12.31 C ATOM 1323 OE1 GLU A 91 10.253 2.672 9.843 1.00 61.42 O ATOM 1324 OE2 GLU A 91 9.633 0.725 10.611 1.00 62.34 O ATOM 0 H GLU A 91 5.924 2.676 7.508 1.00 13.44 H new ATOM 0 HA GLU A 91 7.726 1.429 5.561 1.00 65.11 H new ATOM 0 HB2 GLU A 91 9.122 0.605 7.405 1.00 54.11 H new ATOM 0 HB3 GLU A 91 9.229 2.339 7.179 1.00 54.11 H new ATOM 0 HG2 GLU A 91 7.734 2.710 9.096 1.00 53.25 H new ATOM 0 HG3 GLU A 91 7.534 0.981 9.301 1.00 53.25 H new ATOM 1331 N PHE A 92 6.591 -0.706 6.040 1.00 32.44 N ATOM 1332 CA PHE A 92 5.831 -1.919 6.168 1.00 22.23 C ATOM 1333 C PHE A 92 6.770 -3.052 6.520 1.00 25.44 C ATOM 1334 O PHE A 92 7.732 -3.309 5.791 1.00 0.53 O ATOM 1335 CB PHE A 92 5.124 -2.253 4.835 1.00 4.31 C ATOM 1336 CG PHE A 92 4.121 -1.228 4.354 1.00 3.12 C ATOM 1337 CD1 PHE A 92 4.534 -0.016 3.814 1.00 34.24 C ATOM 1338 CD2 PHE A 92 2.767 -1.479 4.447 1.00 31.25 C ATOM 1339 CE1 PHE A 92 3.615 0.918 3.383 1.00 33.23 C ATOM 1340 CE2 PHE A 92 1.842 -0.548 4.017 1.00 20.14 C ATOM 1341 CZ PHE A 92 2.268 0.652 3.485 1.00 63.54 C ATOM 0 H PHE A 92 7.224 -0.696 5.241 1.00 32.44 H new ATOM 0 HA PHE A 92 5.081 -1.788 6.948 1.00 22.23 H new ATOM 0 HB2 PHE A 92 5.883 -2.382 4.064 1.00 4.31 H new ATOM 0 HB3 PHE A 92 4.615 -3.210 4.944 1.00 4.31 H new ATOM 0 HD1 PHE A 92 5.589 0.198 3.731 1.00 34.24 H new ATOM 0 HD2 PHE A 92 2.426 -2.416 4.862 1.00 31.25 H new ATOM 0 HE1 PHE A 92 3.951 1.856 2.966 1.00 33.23 H new ATOM 0 HE2 PHE A 92 0.786 -0.759 4.097 1.00 20.14 H new ATOM 0 HZ PHE A 92 1.546 1.381 3.149 1.00 63.54 H new ATOM 1351 N ARG A 93 6.528 -3.705 7.617 1.00 41.32 N ATOM 1352 CA ARG A 93 7.316 -4.854 7.977 1.00 12.34 C ATOM 1353 C ARG A 93 6.540 -6.096 7.700 1.00 21.15 C ATOM 1354 O ARG A 93 5.453 -6.291 8.240 1.00 24.21 O ATOM 1355 CB ARG A 93 7.743 -4.879 9.441 1.00 23.15 C ATOM 1356 CG ARG A 93 8.722 -3.812 9.864 1.00 60.04 C ATOM 1357 CD ARG A 93 9.247 -4.126 11.256 1.00 35.10 C ATOM 1358 NE ARG A 93 10.059 -5.365 11.277 1.00 2.51 N ATOM 1359 CZ ARG A 93 9.871 -6.420 12.102 1.00 72.33 C ATOM 1360 NH1 ARG A 93 8.765 -6.535 12.842 1.00 61.05 N ATOM 1361 NH2 ARG A 93 10.774 -7.397 12.130 1.00 22.23 N ATOM 0 H ARG A 93 5.792 -3.465 8.281 1.00 41.32 H new ATOM 0 HA ARG A 93 8.222 -4.795 7.375 1.00 12.34 H new ATOM 0 HB2 ARG A 93 6.850 -4.791 10.060 1.00 23.15 H new ATOM 0 HB3 ARG A 93 8.184 -5.853 9.653 1.00 23.15 H new ATOM 0 HG2 ARG A 93 9.549 -3.761 9.155 1.00 60.04 H new ATOM 0 HG3 ARG A 93 8.237 -2.836 9.859 1.00 60.04 H new ATOM 0 HD2 ARG A 93 9.850 -3.291 11.613 1.00 35.10 H new ATOM 0 HD3 ARG A 93 8.409 -4.230 11.945 1.00 35.10 H new ATOM 0 HE ARG A 93 10.828 -5.428 10.610 1.00 2.51 H new ATOM 0 HH11 ARG A 93 8.041 -5.818 12.792 1.00 61.05 H new ATOM 0 HH12 ARG A 93 8.644 -7.339 13.457 1.00 61.05 H new ATOM 0 HH21 ARG A 93 11.599 -7.346 11.533 1.00 22.23 H new ATOM 0 HH22 ARG A 93 10.641 -8.197 12.749 1.00 22.23 H new ATOM 1375 N ILE A 94 7.067 -6.905 6.854 1.00 44.21 N ATOM 1376 CA ILE A 94 6.479 -8.162 6.558 1.00 61.01 C ATOM 1377 C ILE A 94 7.376 -9.163 7.223 1.00 44.45 C ATOM 1378 O ILE A 94 8.525 -9.347 6.818 1.00 25.31 O ATOM 1379 CB ILE A 94 6.428 -8.451 5.008 1.00 44.33 C ATOM 1380 CG1 ILE A 94 5.608 -7.391 4.222 1.00 70.41 C ATOM 1381 CG2 ILE A 94 5.880 -9.842 4.731 1.00 63.05 C ATOM 1382 CD1 ILE A 94 6.272 -6.029 4.066 1.00 23.00 C ATOM 0 H ILE A 94 7.928 -6.712 6.342 1.00 44.21 H new ATOM 0 HA ILE A 94 5.447 -8.199 6.906 1.00 61.01 H new ATOM 0 HB ILE A 94 7.457 -8.392 4.654 1.00 44.33 H new ATOM 0 HG12 ILE A 94 5.394 -7.787 3.229 1.00 70.41 H new ATOM 0 HG13 ILE A 94 4.650 -7.253 4.724 1.00 70.41 H new ATOM 0 HG21 ILE A 94 5.855 -10.016 3.655 1.00 63.05 H new ATOM 0 HG22 ILE A 94 6.520 -10.586 5.204 1.00 63.05 H new ATOM 0 HG23 ILE A 94 4.871 -9.922 5.135 1.00 63.05 H new ATOM 0 HD11 ILE A 94 5.615 -5.366 3.503 1.00 23.00 H new ATOM 0 HD12 ILE A 94 6.461 -5.602 5.051 1.00 23.00 H new ATOM 0 HD13 ILE A 94 7.216 -6.143 3.533 1.00 23.00 H new ATOM 1394 N ASN A 95 6.889 -9.798 8.224 1.00 63.41 N ATOM 1395 CA ASN A 95 7.715 -10.683 8.983 1.00 40.42 C ATOM 1396 C ASN A 95 6.988 -11.954 9.264 1.00 73.44 C ATOM 1397 O ASN A 95 5.935 -11.947 9.912 1.00 32.24 O ATOM 1398 CB ASN A 95 8.159 -9.997 10.288 1.00 41.51 C ATOM 1399 CG ASN A 95 9.040 -10.873 11.160 1.00 31.35 C ATOM 1400 OD1 ASN A 95 8.555 -11.592 12.025 1.00 52.13 O ATOM 1401 ND2 ASN A 95 10.324 -10.816 10.948 1.00 74.23 N ATOM 0 H ASN A 95 5.923 -9.727 8.543 1.00 63.41 H new ATOM 0 HA ASN A 95 8.606 -10.927 8.404 1.00 40.42 H new ATOM 0 HB2 ASN A 95 8.698 -9.082 10.043 1.00 41.51 H new ATOM 0 HB3 ASN A 95 7.275 -9.705 10.855 1.00 41.51 H new ATOM 0 HD21 ASN A 95 10.959 -11.381 11.511 1.00 74.23 H new ATOM 0 HD22 ASN A 95 10.694 -10.206 10.219 1.00 74.23 H new ATOM 1408 N GLU A 96 7.538 -13.038 8.747 1.00 41.10 N ATOM 1409 CA GLU A 96 7.027 -14.401 8.925 1.00 11.10 C ATOM 1410 C GLU A 96 5.532 -14.501 8.572 1.00 15.51 C ATOM 1411 O GLU A 96 4.755 -15.208 9.230 1.00 63.14 O ATOM 1412 CB GLU A 96 7.315 -14.904 10.345 1.00 20.22 C ATOM 1413 CG GLU A 96 8.771 -14.726 10.751 1.00 13.01 C ATOM 1414 CD GLU A 96 9.151 -15.509 11.967 1.00 4.54 C ATOM 1415 OE1 GLU A 96 8.816 -15.102 13.104 1.00 34.20 O ATOM 1416 OE2 GLU A 96 9.822 -16.548 11.817 1.00 74.52 O ATOM 0 H GLU A 96 8.380 -13.001 8.172 1.00 41.10 H new ATOM 0 HA GLU A 96 7.554 -15.052 8.227 1.00 11.10 H new ATOM 0 HB2 GLU A 96 6.678 -14.370 11.050 1.00 20.22 H new ATOM 0 HB3 GLU A 96 7.050 -15.959 10.412 1.00 20.22 H new ATOM 0 HG2 GLU A 96 9.411 -15.026 9.921 1.00 13.01 H new ATOM 0 HG3 GLU A 96 8.962 -13.669 10.935 1.00 13.01 H new ATOM 1423 N GLY A 97 5.156 -13.809 7.518 1.00 40.11 N ATOM 1424 CA GLY A 97 3.792 -13.823 7.042 1.00 43.33 C ATOM 1425 C GLY A 97 2.879 -12.806 7.704 1.00 31.22 C ATOM 1426 O GLY A 97 1.746 -12.654 7.290 1.00 14.10 O ATOM 0 H GLY A 97 5.786 -13.223 6.970 1.00 40.11 H new ATOM 0 HA2 GLY A 97 3.795 -13.643 5.967 1.00 43.33 H new ATOM 0 HA3 GLY A 97 3.377 -14.819 7.198 1.00 43.33 H new ATOM 1430 N GLU A 98 3.366 -12.099 8.707 1.00 53.42 N ATOM 1431 CA GLU A 98 2.560 -11.087 9.370 1.00 53.24 C ATOM 1432 C GLU A 98 2.984 -9.722 8.885 1.00 63.21 C ATOM 1433 O GLU A 98 4.150 -9.530 8.520 1.00 3.40 O ATOM 1434 CB GLU A 98 2.677 -11.184 10.885 1.00 2.22 C ATOM 1435 CG GLU A 98 2.224 -12.517 11.434 1.00 23.03 C ATOM 1436 CD GLU A 98 2.024 -12.480 12.922 1.00 23.34 C ATOM 1437 OE1 GLU A 98 1.120 -11.772 13.385 1.00 14.50 O ATOM 1438 OE2 GLU A 98 2.751 -13.184 13.660 1.00 53.30 O ATOM 0 H GLU A 98 4.310 -12.205 9.080 1.00 53.42 H new ATOM 0 HA GLU A 98 1.512 -11.253 9.120 1.00 53.24 H new ATOM 0 HB2 GLU A 98 3.714 -11.013 11.174 1.00 2.22 H new ATOM 0 HB3 GLU A 98 2.084 -10.391 11.340 1.00 2.22 H new ATOM 0 HG2 GLU A 98 1.291 -12.809 10.951 1.00 23.03 H new ATOM 0 HG3 GLU A 98 2.963 -13.279 11.187 1.00 23.03 H new ATOM 1445 N PHE A 99 2.062 -8.782 8.864 1.00 20.12 N ATOM 1446 CA PHE A 99 2.336 -7.489 8.265 1.00 62.33 C ATOM 1447 C PHE A 99 2.087 -6.358 9.266 1.00 32.21 C ATOM 1448 O PHE A 99 0.951 -6.149 9.718 1.00 43.22 O ATOM 1449 CB PHE A 99 1.408 -7.287 7.051 1.00 32.32 C ATOM 1450 CG PHE A 99 1.232 -8.522 6.197 1.00 41.24 C ATOM 1451 CD1 PHE A 99 2.258 -8.989 5.400 1.00 11.44 C ATOM 1452 CD2 PHE A 99 0.037 -9.228 6.224 1.00 41.54 C ATOM 1453 CE1 PHE A 99 2.100 -10.131 4.642 1.00 51.31 C ATOM 1454 CE2 PHE A 99 -0.127 -10.372 5.470 1.00 2.51 C ATOM 1455 CZ PHE A 99 0.906 -10.824 4.676 1.00 60.41 C ATOM 0 H PHE A 99 1.124 -8.885 9.251 1.00 20.12 H new ATOM 0 HA PHE A 99 3.382 -7.466 7.959 1.00 62.33 H new ATOM 0 HB2 PHE A 99 0.430 -6.961 7.405 1.00 32.32 H new ATOM 0 HB3 PHE A 99 1.807 -6.484 6.432 1.00 32.32 H new ATOM 0 HD1 PHE A 99 3.196 -8.454 5.369 1.00 11.44 H new ATOM 0 HD2 PHE A 99 -0.775 -8.877 6.843 1.00 41.54 H new ATOM 0 HE1 PHE A 99 2.911 -10.483 4.022 1.00 51.31 H new ATOM 0 HE2 PHE A 99 -1.062 -10.912 5.502 1.00 2.51 H new ATOM 0 HZ PHE A 99 0.782 -11.718 4.082 1.00 60.41 H new ATOM 1465 N GLU A 100 3.122 -5.630 9.588 1.00 60.51 N ATOM 1466 CA GLU A 100 3.018 -4.500 10.490 1.00 52.14 C ATOM 1467 C GLU A 100 3.209 -3.236 9.688 1.00 64.55 C ATOM 1468 O GLU A 100 4.197 -3.110 8.960 1.00 74.14 O ATOM 1469 CB GLU A 100 4.107 -4.526 11.562 1.00 1.13 C ATOM 1470 CG GLU A 100 4.208 -5.796 12.377 1.00 1.11 C ATOM 1471 CD GLU A 100 5.231 -5.649 13.474 1.00 23.31 C ATOM 1472 OE1 GLU A 100 6.409 -5.321 13.178 1.00 33.40 O ATOM 1473 OE2 GLU A 100 4.866 -5.789 14.666 1.00 10.23 O ATOM 0 H GLU A 100 4.064 -5.798 9.236 1.00 60.51 H new ATOM 0 HA GLU A 100 2.043 -4.544 10.974 1.00 52.14 H new ATOM 0 HB2 GLU A 100 5.068 -4.351 11.079 1.00 1.13 H new ATOM 0 HB3 GLU A 100 3.937 -3.693 12.244 1.00 1.13 H new ATOM 0 HG2 GLU A 100 3.236 -6.034 12.810 1.00 1.11 H new ATOM 0 HG3 GLU A 100 4.481 -6.629 11.729 1.00 1.11 H new ATOM 1480 N VAL A 101 2.300 -2.317 9.793 1.00 74.51 N ATOM 1481 CA VAL A 101 2.444 -1.074 9.086 1.00 62.15 C ATOM 1482 C VAL A 101 2.721 0.017 10.087 1.00 33.54 C ATOM 1483 O VAL A 101 1.948 0.219 11.036 1.00 24.32 O ATOM 1484 CB VAL A 101 1.167 -0.734 8.286 1.00 32.23 C ATOM 1485 CG1 VAL A 101 1.331 0.567 7.502 1.00 32.10 C ATOM 1486 CG2 VAL A 101 0.813 -1.877 7.358 1.00 15.44 C ATOM 0 H VAL A 101 1.454 -2.399 10.357 1.00 74.51 H new ATOM 0 HA VAL A 101 3.268 -1.162 8.378 1.00 62.15 H new ATOM 0 HB VAL A 101 0.351 -0.590 8.994 1.00 32.23 H new ATOM 0 HG11 VAL A 101 0.415 0.777 6.950 1.00 32.10 H new ATOM 0 HG12 VAL A 101 1.534 1.385 8.193 1.00 32.10 H new ATOM 0 HG13 VAL A 101 2.161 0.468 6.803 1.00 32.10 H new ATOM 0 HG21 VAL A 101 -0.089 -1.626 6.799 1.00 15.44 H new ATOM 0 HG22 VAL A 101 1.635 -2.049 6.663 1.00 15.44 H new ATOM 0 HG23 VAL A 101 0.638 -2.780 7.943 1.00 15.44 H new ATOM 1496 N VAL A 102 3.819 0.694 9.904 1.00 54.41 N ATOM 1497 CA VAL A 102 4.198 1.766 10.776 1.00 72.24 C ATOM 1498 C VAL A 102 4.317 3.070 9.996 1.00 62.14 C ATOM 1499 O VAL A 102 4.937 3.118 8.928 1.00 62.43 O ATOM 1500 CB VAL A 102 5.525 1.456 11.538 1.00 21.31 C ATOM 1501 CG1 VAL A 102 5.913 2.600 12.470 1.00 31.35 C ATOM 1502 CG2 VAL A 102 5.398 0.154 12.326 1.00 53.42 C ATOM 0 H VAL A 102 4.477 0.517 9.145 1.00 54.41 H new ATOM 0 HA VAL A 102 3.413 1.874 11.524 1.00 72.24 H new ATOM 0 HB VAL A 102 6.315 1.345 10.795 1.00 21.31 H new ATOM 0 HG11 VAL A 102 6.841 2.351 12.985 1.00 31.35 H new ATOM 0 HG12 VAL A 102 6.053 3.511 11.889 1.00 31.35 H new ATOM 0 HG13 VAL A 102 5.122 2.756 13.204 1.00 31.35 H new ATOM 0 HG21 VAL A 102 6.332 -0.046 12.851 1.00 53.42 H new ATOM 0 HG22 VAL A 102 4.588 0.244 13.049 1.00 53.42 H new ATOM 0 HG23 VAL A 102 5.184 -0.666 11.641 1.00 53.42 H new ATOM 1512 N ASP A 103 3.709 4.093 10.518 1.00 41.23 N ATOM 1513 CA ASP A 103 3.812 5.429 9.974 1.00 30.10 C ATOM 1514 C ASP A 103 5.011 6.093 10.576 1.00 21.04 C ATOM 1515 O ASP A 103 5.202 6.059 11.804 1.00 43.33 O ATOM 1516 CB ASP A 103 2.562 6.251 10.283 1.00 52.32 C ATOM 1517 CG ASP A 103 2.801 7.750 10.141 1.00 20.31 C ATOM 1518 OD1 ASP A 103 2.987 8.243 9.025 1.00 54.35 O ATOM 1519 OD2 ASP A 103 2.831 8.444 11.177 1.00 14.33 O ATOM 0 H ASP A 103 3.117 4.030 11.346 1.00 41.23 H new ATOM 0 HA ASP A 103 3.910 5.365 8.890 1.00 30.10 H new ATOM 0 HB2 ASP A 103 1.757 5.949 9.612 1.00 52.32 H new ATOM 0 HB3 ASP A 103 2.229 6.034 11.298 1.00 52.32 H new ATOM 1524 N VAL A 104 5.821 6.674 9.749 1.00 43.11 N ATOM 1525 CA VAL A 104 7.028 7.306 10.207 1.00 63.44 C ATOM 1526 C VAL A 104 7.142 8.711 9.670 1.00 64.51 C ATOM 1527 O VAL A 104 8.202 9.349 9.794 1.00 63.33 O ATOM 1528 CB VAL A 104 8.306 6.489 9.832 1.00 31.14 C ATOM 1529 CG1 VAL A 104 8.321 5.164 10.559 1.00 32.24 C ATOM 1530 CG2 VAL A 104 8.405 6.264 8.326 1.00 12.33 C ATOM 0 H VAL A 104 5.670 6.726 8.742 1.00 43.11 H new ATOM 0 HA VAL A 104 6.964 7.343 11.294 1.00 63.44 H new ATOM 0 HB VAL A 104 9.172 7.073 10.142 1.00 31.14 H new ATOM 0 HG11 VAL A 104 9.218 4.609 10.285 1.00 32.24 H new ATOM 0 HG12 VAL A 104 8.317 5.339 11.635 1.00 32.24 H new ATOM 0 HG13 VAL A 104 7.439 4.587 10.282 1.00 32.24 H new ATOM 0 HG21 VAL A 104 9.306 5.693 8.102 1.00 12.33 H new ATOM 0 HG22 VAL A 104 7.530 5.712 7.982 1.00 12.33 H new ATOM 0 HG23 VAL A 104 8.450 7.227 7.816 1.00 12.33 H new ATOM 1540 N GLY A 105 6.073 9.210 9.096 1.00 43.13 N ATOM 1541 CA GLY A 105 6.122 10.515 8.540 1.00 55.35 C ATOM 1542 C GLY A 105 4.776 11.072 8.250 1.00 64.50 C ATOM 1543 O GLY A 105 4.471 11.416 7.099 1.00 62.42 O ATOM 0 H GLY A 105 5.177 8.730 9.009 1.00 43.13 H new ATOM 0 HA2 GLY A 105 6.643 11.179 9.230 1.00 55.35 H new ATOM 0 HA3 GLY A 105 6.705 10.490 7.619 1.00 55.35 H new ATOM 1547 N SER A 106 3.965 11.196 9.262 1.00 52.31 N ATOM 1548 CA SER A 106 2.677 11.770 9.084 1.00 71.22 C ATOM 1549 C SER A 106 2.790 13.285 9.067 1.00 50.43 C ATOM 1550 O SER A 106 2.586 13.960 10.074 1.00 52.21 O ATOM 1551 CB SER A 106 1.659 11.290 10.139 1.00 23.12 C ATOM 1552 OG SER A 106 0.336 11.780 9.864 1.00 64.34 O ATOM 0 H SER A 106 4.180 10.905 10.216 1.00 52.31 H new ATOM 0 HA SER A 106 2.291 11.430 8.123 1.00 71.22 H new ATOM 0 HB2 SER A 106 1.646 10.200 10.162 1.00 23.12 H new ATOM 0 HB3 SER A 106 1.973 11.626 11.127 1.00 23.12 H new ATOM 0 HG SER A 106 -0.283 11.455 10.551 1.00 64.34 H new ATOM 1558 N LEU A 107 3.277 13.783 7.966 1.00 73.13 N ATOM 1559 CA LEU A 107 3.282 15.196 7.692 1.00 62.23 C ATOM 1560 C LEU A 107 2.213 15.444 6.661 1.00 50.22 C ATOM 1561 O LEU A 107 1.668 16.541 6.544 1.00 40.41 O ATOM 1562 CB LEU A 107 4.656 15.691 7.158 1.00 75.24 C ATOM 1563 CG LEU A 107 5.865 15.707 8.132 1.00 32.44 C ATOM 1564 CD1 LEU A 107 5.567 16.513 9.381 1.00 41.54 C ATOM 1565 CD2 LEU A 107 6.352 14.309 8.488 1.00 4.21 C ATOM 0 H LEU A 107 3.687 13.215 7.224 1.00 73.13 H new ATOM 0 HA LEU A 107 3.095 15.745 8.615 1.00 62.23 H new ATOM 0 HB2 LEU A 107 4.925 15.067 6.305 1.00 75.24 H new ATOM 0 HB3 LEU A 107 4.520 16.705 6.781 1.00 75.24 H new ATOM 0 HG LEU A 107 6.678 16.199 7.598 1.00 32.44 H new ATOM 0 HD11 LEU A 107 6.437 16.501 10.038 1.00 41.54 H new ATOM 0 HD12 LEU A 107 5.336 17.542 9.104 1.00 41.54 H new ATOM 0 HD13 LEU A 107 4.714 16.077 9.900 1.00 41.54 H new ATOM 0 HD21 LEU A 107 7.198 14.381 9.171 1.00 4.21 H new ATOM 0 HD22 LEU A 107 5.545 13.754 8.967 1.00 4.21 H new ATOM 0 HD23 LEU A 107 6.661 13.790 7.581 1.00 4.21 H new ATOM 1577 N ASN A 108 1.885 14.382 5.952 1.00 45.22 N ATOM 1578 CA ASN A 108 0.911 14.422 4.880 1.00 10.01 C ATOM 1579 C ASN A 108 -0.415 13.837 5.332 1.00 13.24 C ATOM 1580 O ASN A 108 -1.350 13.723 4.549 1.00 22.25 O ATOM 1581 CB ASN A 108 1.429 13.709 3.605 1.00 25.11 C ATOM 1582 CG ASN A 108 2.625 14.417 2.956 1.00 53.43 C ATOM 1583 OD1 ASN A 108 3.440 15.055 3.631 1.00 75.23 O ATOM 1584 ND2 ASN A 108 2.757 14.303 1.663 1.00 31.30 N ATOM 0 H ASN A 108 2.291 13.459 6.105 1.00 45.22 H new ATOM 0 HA ASN A 108 0.751 15.469 4.622 1.00 10.01 H new ATOM 0 HB2 ASN A 108 1.714 12.688 3.859 1.00 25.11 H new ATOM 0 HB3 ASN A 108 0.618 13.642 2.880 1.00 25.11 H new ATOM 0 HD21 ASN A 108 3.545 14.745 1.190 1.00 31.30 H new ATOM 0 HD22 ASN A 108 2.072 13.772 1.125 1.00 31.30 H new ATOM 1591 N GLY A 109 -0.481 13.463 6.603 1.00 34.32 N ATOM 1592 CA GLY A 109 -1.704 12.926 7.162 1.00 20.31 C ATOM 1593 C GLY A 109 -1.874 11.448 6.902 1.00 2.23 C ATOM 1594 O GLY A 109 -2.604 11.054 5.994 1.00 55.10 O ATOM 0 H GLY A 109 0.297 13.523 7.260 1.00 34.32 H new ATOM 0 HA2 GLY A 109 -1.714 13.103 8.237 1.00 20.31 H new ATOM 0 HA3 GLY A 109 -2.555 13.463 6.743 1.00 20.31 H new ATOM 1598 N THR A 110 -1.168 10.636 7.648 1.00 34.45 N ATOM 1599 CA THR A 110 -1.321 9.212 7.537 1.00 22.44 C ATOM 1600 C THR A 110 -2.464 8.753 8.457 1.00 4.23 C ATOM 1601 O THR A 110 -2.491 9.093 9.650 1.00 42.00 O ATOM 1602 CB THR A 110 -0.036 8.523 7.996 1.00 32.45 C ATOM 1603 OG1 THR A 110 1.094 9.234 7.467 1.00 23.44 O ATOM 1604 CG2 THR A 110 0.001 7.080 7.503 1.00 42.35 C ATOM 0 H THR A 110 -0.482 10.940 8.339 1.00 34.45 H new ATOM 0 HA THR A 110 -1.537 8.955 6.500 1.00 22.44 H new ATOM 0 HB THR A 110 -0.004 8.523 9.086 1.00 32.45 H new ATOM 0 HG1 THR A 110 1.318 8.879 6.581 1.00 23.44 H new ATOM 0 HG21 THR A 110 0.922 6.604 7.839 1.00 42.35 H new ATOM 0 HG22 THR A 110 -0.855 6.537 7.904 1.00 42.35 H new ATOM 0 HG23 THR A 110 -0.038 7.067 6.414 1.00 42.35 H new ATOM 1612 N TYR A 111 -3.388 8.002 7.924 1.00 14.43 N ATOM 1613 CA TYR A 111 -4.473 7.466 8.703 1.00 21.35 C ATOM 1614 C TYR A 111 -4.699 6.004 8.354 1.00 64.02 C ATOM 1615 O TYR A 111 -4.635 5.619 7.198 1.00 53.11 O ATOM 1616 CB TYR A 111 -5.770 8.248 8.461 1.00 20.31 C ATOM 1617 CG TYR A 111 -5.741 9.706 8.865 1.00 15.22 C ATOM 1618 CD1 TYR A 111 -5.991 10.086 10.170 1.00 22.53 C ATOM 1619 CD2 TYR A 111 -5.486 10.697 7.934 1.00 1.13 C ATOM 1620 CE1 TYR A 111 -5.989 11.412 10.538 1.00 1.23 C ATOM 1621 CE2 TYR A 111 -5.477 12.024 8.290 1.00 20.33 C ATOM 1622 CZ TYR A 111 -5.731 12.378 9.593 1.00 14.25 C ATOM 1623 OH TYR A 111 -5.739 13.702 9.950 1.00 31.45 O ATOM 0 H TYR A 111 -3.411 7.744 6.938 1.00 14.43 H new ATOM 0 HA TYR A 111 -4.201 7.556 9.755 1.00 21.35 H new ATOM 0 HB2 TYR A 111 -6.016 8.188 7.401 1.00 20.31 H new ATOM 0 HB3 TYR A 111 -6.577 7.755 9.004 1.00 20.31 H new ATOM 0 HD1 TYR A 111 -6.191 9.329 10.914 1.00 22.53 H new ATOM 0 HD2 TYR A 111 -5.290 10.422 6.908 1.00 1.13 H new ATOM 0 HE1 TYR A 111 -6.189 11.692 11.562 1.00 1.23 H new ATOM 0 HE2 TYR A 111 -5.272 12.784 7.550 1.00 20.33 H new ATOM 0 HH TYR A 111 -5.121 14.200 9.375 1.00 31.45 H new ATOM 1633 N VAL A 112 -4.972 5.209 9.336 1.00 70.35 N ATOM 1634 CA VAL A 112 -5.294 3.815 9.133 1.00 71.52 C ATOM 1635 C VAL A 112 -6.751 3.667 9.518 1.00 13.23 C ATOM 1636 O VAL A 112 -7.114 3.959 10.659 1.00 61.15 O ATOM 1637 CB VAL A 112 -4.413 2.880 10.012 1.00 4.31 C ATOM 1638 CG1 VAL A 112 -4.794 1.419 9.809 1.00 63.15 C ATOM 1639 CG2 VAL A 112 -2.933 3.084 9.707 1.00 25.02 C ATOM 0 H VAL A 112 -4.981 5.501 10.313 1.00 70.35 H new ATOM 0 HA VAL A 112 -5.107 3.528 8.098 1.00 71.52 H new ATOM 0 HB VAL A 112 -4.593 3.141 11.055 1.00 4.31 H new ATOM 0 HG11 VAL A 112 -4.163 0.788 10.435 1.00 63.15 H new ATOM 0 HG12 VAL A 112 -5.839 1.274 10.084 1.00 63.15 H new ATOM 0 HG13 VAL A 112 -4.653 1.148 8.763 1.00 63.15 H new ATOM 0 HG21 VAL A 112 -2.338 2.420 10.333 1.00 25.02 H new ATOM 0 HG22 VAL A 112 -2.743 2.859 8.657 1.00 25.02 H new ATOM 0 HG23 VAL A 112 -2.659 4.119 9.912 1.00 25.02 H new ATOM 1649 N ASN A 113 -7.584 3.239 8.567 1.00 23.42 N ATOM 1650 CA ASN A 113 -9.073 3.204 8.723 1.00 1.14 C ATOM 1651 C ASN A 113 -9.553 4.613 9.049 1.00 72.50 C ATOM 1652 O ASN A 113 -10.529 4.812 9.772 1.00 3.23 O ATOM 1653 CB ASN A 113 -9.526 2.258 9.881 1.00 75.11 C ATOM 1654 CG ASN A 113 -9.233 0.775 9.687 1.00 43.11 C ATOM 1655 OD1 ASN A 113 -9.972 -0.078 10.179 1.00 44.15 O ATOM 1656 ND2 ASN A 113 -8.181 0.453 9.004 1.00 21.21 N ATOM 0 H ASN A 113 -7.263 2.903 7.659 1.00 23.42 H new ATOM 0 HA ASN A 113 -9.499 2.829 7.792 1.00 1.14 H new ATOM 0 HB2 ASN A 113 -9.043 2.586 10.801 1.00 75.11 H new ATOM 0 HB3 ASN A 113 -10.600 2.380 10.024 1.00 75.11 H new ATOM 0 HD21 ASN A 113 -7.946 -0.529 8.862 1.00 21.21 H new ATOM 0 HD22 ASN A 113 -7.587 1.182 8.608 1.00 21.21 H new ATOM 1663 N ARG A 114 -8.880 5.586 8.412 1.00 70.43 N ATOM 1664 CA ARG A 114 -9.131 7.034 8.560 1.00 53.35 C ATOM 1665 C ARG A 114 -8.928 7.536 10.005 1.00 21.41 C ATOM 1666 O ARG A 114 -9.287 8.650 10.343 1.00 34.13 O ATOM 1667 CB ARG A 114 -10.488 7.422 7.979 1.00 42.34 C ATOM 1668 CG ARG A 114 -10.590 7.066 6.501 1.00 43.02 C ATOM 1669 CD ARG A 114 -11.942 7.396 5.914 1.00 60.43 C ATOM 1670 NE ARG A 114 -13.034 6.794 6.684 1.00 64.51 N ATOM 1671 CZ ARG A 114 -13.480 5.530 6.568 1.00 63.44 C ATOM 1672 NH1 ARG A 114 -12.900 4.672 5.725 1.00 55.35 N ATOM 1673 NH2 ARG A 114 -14.503 5.133 7.298 1.00 20.03 N ATOM 0 H ARG A 114 -8.123 5.383 7.759 1.00 70.43 H new ATOM 0 HA ARG A 114 -8.373 7.551 7.972 1.00 53.35 H new ATOM 0 HB2 ARG A 114 -11.279 6.914 8.531 1.00 42.34 H new ATOM 0 HB3 ARG A 114 -10.646 8.493 8.107 1.00 42.34 H new ATOM 0 HG2 ARG A 114 -9.818 7.601 5.948 1.00 43.02 H new ATOM 0 HG3 ARG A 114 -10.393 6.002 6.373 1.00 43.02 H new ATOM 0 HD2 ARG A 114 -12.071 8.478 5.886 1.00 60.43 H new ATOM 0 HD3 ARG A 114 -11.986 7.043 4.884 1.00 60.43 H new ATOM 0 HE ARG A 114 -13.499 7.388 7.371 1.00 64.51 H new ATOM 0 HH11 ARG A 114 -12.107 4.972 5.158 1.00 55.35 H new ATOM 0 HH12 ARG A 114 -13.250 3.717 5.649 1.00 55.35 H new ATOM 0 HH21 ARG A 114 -14.950 5.782 7.945 1.00 20.03 H new ATOM 0 HH22 ARG A 114 -14.847 4.176 7.216 1.00 20.03 H new ATOM 1687 N GLU A 115 -8.293 6.707 10.810 1.00 12.20 N ATOM 1688 CA GLU A 115 -7.947 7.014 12.185 1.00 24.14 C ATOM 1689 C GLU A 115 -6.448 7.255 12.282 1.00 53.43 C ATOM 1690 O GLU A 115 -5.667 6.584 11.585 1.00 23.34 O ATOM 1691 CB GLU A 115 -8.338 5.834 13.074 1.00 71.22 C ATOM 1692 CG GLU A 115 -9.811 5.763 13.404 1.00 21.11 C ATOM 1693 CD GLU A 115 -10.179 6.715 14.512 1.00 65.44 C ATOM 1694 OE1 GLU A 115 -10.199 7.939 14.303 1.00 32.22 O ATOM 1695 OE2 GLU A 115 -10.406 6.238 15.648 1.00 4.43 O ATOM 0 H GLU A 115 -7.995 5.776 10.518 1.00 12.20 H new ATOM 0 HA GLU A 115 -8.479 7.908 12.512 1.00 24.14 H new ATOM 0 HB2 GLU A 115 -8.044 4.909 12.579 1.00 71.22 H new ATOM 0 HB3 GLU A 115 -7.772 5.892 14.004 1.00 71.22 H new ATOM 0 HG2 GLU A 115 -10.395 5.997 12.514 1.00 21.11 H new ATOM 0 HG3 GLU A 115 -10.070 4.746 13.697 1.00 21.11 H new ATOM 1702 N PRO A 116 -6.006 8.211 13.109 1.00 0.52 N ATOM 1703 CA PRO A 116 -4.584 8.478 13.280 1.00 11.30 C ATOM 1704 C PRO A 116 -3.925 7.300 13.985 1.00 22.21 C ATOM 1705 O PRO A 116 -4.323 6.918 15.083 1.00 3.44 O ATOM 1706 CB PRO A 116 -4.547 9.734 14.164 1.00 22.31 C ATOM 1707 CG PRO A 116 -5.865 9.754 14.866 1.00 31.30 C ATOM 1708 CD PRO A 116 -6.848 9.085 13.946 1.00 64.24 C ATOM 0 HA PRO A 116 -4.053 8.620 12.339 1.00 11.30 H new ATOM 0 HB2 PRO A 116 -3.722 9.691 14.875 1.00 22.31 H new ATOM 0 HB3 PRO A 116 -4.406 10.634 13.565 1.00 22.31 H new ATOM 0 HG2 PRO A 116 -5.805 9.228 15.819 1.00 31.30 H new ATOM 0 HG3 PRO A 116 -6.172 10.777 15.085 1.00 31.30 H new ATOM 0 HD2 PRO A 116 -7.591 8.512 14.502 1.00 64.24 H new ATOM 0 HD3 PRO A 116 -7.392 9.813 13.344 1.00 64.24 H new ATOM 1716 N ARG A 117 -2.935 6.728 13.373 1.00 63.04 N ATOM 1717 CA ARG A 117 -2.334 5.553 13.918 1.00 11.23 C ATOM 1718 C ARG A 117 -0.861 5.582 13.585 1.00 14.32 C ATOM 1719 O ARG A 117 -0.490 6.008 12.490 1.00 14.14 O ATOM 1720 CB ARG A 117 -2.993 4.313 13.285 1.00 53.11 C ATOM 1721 CG ARG A 117 -2.798 3.022 14.058 1.00 41.14 C ATOM 1722 CD ARG A 117 -3.592 3.037 15.359 1.00 32.54 C ATOM 1723 NE ARG A 117 -5.053 3.064 15.124 1.00 43.34 N ATOM 1724 CZ ARG A 117 -5.949 3.806 15.812 1.00 15.10 C ATOM 1725 NH1 ARG A 117 -5.547 4.741 16.660 1.00 14.45 N ATOM 1726 NH2 ARG A 117 -7.242 3.630 15.610 1.00 73.40 N ATOM 0 H ARG A 117 -2.527 7.056 12.497 1.00 63.04 H new ATOM 0 HA ARG A 117 -2.469 5.513 14.999 1.00 11.23 H new ATOM 0 HB2 ARG A 117 -4.062 4.500 13.182 1.00 53.11 H new ATOM 0 HB3 ARG A 117 -2.594 4.181 12.279 1.00 53.11 H new ATOM 0 HG2 ARG A 117 -3.113 2.177 13.446 1.00 41.14 H new ATOM 0 HG3 ARG A 117 -1.739 2.881 14.276 1.00 41.14 H new ATOM 0 HD2 ARG A 117 -3.337 2.156 15.948 1.00 32.54 H new ATOM 0 HD3 ARG A 117 -3.305 3.908 15.948 1.00 32.54 H new ATOM 0 HE ARG A 117 -5.415 2.471 14.378 1.00 43.34 H new ATOM 0 HH11 ARG A 117 -4.551 4.908 16.800 1.00 14.45 H new ATOM 0 HH12 ARG A 117 -6.234 5.294 17.173 1.00 14.45 H new ATOM 0 HH21 ARG A 117 -7.563 2.935 14.936 1.00 73.40 H new ATOM 0 HH22 ARG A 117 -7.920 4.189 16.128 1.00 73.40 H new ATOM 1740 N ASN A 118 -0.034 5.182 14.512 1.00 24.20 N ATOM 1741 CA ASN A 118 1.405 5.155 14.287 1.00 42.12 C ATOM 1742 C ASN A 118 1.839 3.780 13.860 1.00 41.13 C ATOM 1743 O ASN A 118 2.653 3.635 12.967 1.00 33.14 O ATOM 1744 CB ASN A 118 2.188 5.588 15.532 1.00 71.10 C ATOM 1745 CG ASN A 118 1.990 7.050 15.892 1.00 15.13 C ATOM 1746 OD1 ASN A 118 1.053 7.404 16.614 1.00 4.15 O ATOM 1747 ND2 ASN A 118 2.868 7.902 15.424 1.00 60.22 N ATOM 0 H ASN A 118 -0.323 4.867 15.438 1.00 24.20 H new ATOM 0 HA ASN A 118 1.624 5.869 13.493 1.00 42.12 H new ATOM 0 HB2 ASN A 118 1.884 4.969 16.376 1.00 71.10 H new ATOM 0 HB3 ASN A 118 3.249 5.403 15.367 1.00 71.10 H new ATOM 0 HD21 ASN A 118 2.790 8.893 15.654 1.00 60.22 H new ATOM 0 HD22 ASN A 118 3.630 7.575 14.830 1.00 60.22 H new ATOM 1754 N ALA A 119 1.288 2.770 14.489 1.00 32.21 N ATOM 1755 CA ALA A 119 1.608 1.401 14.159 1.00 64.33 C ATOM 1756 C ALA A 119 0.348 0.581 14.215 1.00 14.41 C ATOM 1757 O ALA A 119 -0.476 0.779 15.110 1.00 62.22 O ATOM 1758 CB ALA A 119 2.651 0.846 15.119 1.00 75.33 C ATOM 0 H ALA A 119 0.607 2.873 15.242 1.00 32.21 H new ATOM 0 HA ALA A 119 2.027 1.358 13.154 1.00 64.33 H new ATOM 0 HB1 ALA A 119 2.878 -0.186 14.853 1.00 75.33 H new ATOM 0 HB2 ALA A 119 3.559 1.445 15.055 1.00 75.33 H new ATOM 0 HB3 ALA A 119 2.264 0.881 16.137 1.00 75.33 H new ATOM 1764 N GLN A 120 0.161 -0.284 13.245 1.00 61.02 N ATOM 1765 CA GLN A 120 -1.009 -1.128 13.209 1.00 52.10 C ATOM 1766 C GLN A 120 -0.659 -2.426 12.461 1.00 51.41 C ATOM 1767 O GLN A 120 0.103 -2.396 11.490 1.00 20.34 O ATOM 1768 CB GLN A 120 -2.155 -0.382 12.475 1.00 34.32 C ATOM 1769 CG GLN A 120 -3.562 -0.619 13.047 1.00 61.32 C ATOM 1770 CD GLN A 120 -3.959 -2.070 13.080 1.00 51.13 C ATOM 1771 OE1 GLN A 120 -3.706 -2.776 14.066 1.00 42.32 O ATOM 1772 NE2 GLN A 120 -4.590 -2.526 12.052 1.00 1.01 N ATOM 0 H GLN A 120 0.807 -0.421 12.468 1.00 61.02 H new ATOM 0 HA GLN A 120 -1.334 -1.368 14.221 1.00 52.10 H new ATOM 0 HB2 GLN A 120 -1.945 0.687 12.500 1.00 34.32 H new ATOM 0 HB3 GLN A 120 -2.151 -0.683 11.427 1.00 34.32 H new ATOM 0 HG2 GLN A 120 -3.607 -0.215 14.058 1.00 61.32 H new ATOM 0 HG3 GLN A 120 -4.287 -0.066 12.450 1.00 61.32 H new ATOM 0 HE21 GLN A 120 -4.781 -1.915 11.258 1.00 1.01 H new ATOM 0 HE22 GLN A 120 -4.899 -3.498 12.033 1.00 1.01 H new ATOM 1781 N VAL A 121 -1.181 -3.543 12.919 1.00 72.43 N ATOM 1782 CA VAL A 121 -1.004 -4.814 12.232 1.00 60.34 C ATOM 1783 C VAL A 121 -2.117 -4.900 11.204 1.00 63.04 C ATOM 1784 O VAL A 121 -3.298 -4.973 11.557 1.00 12.41 O ATOM 1785 CB VAL A 121 -1.089 -6.012 13.209 1.00 2.25 C ATOM 1786 CG1 VAL A 121 -0.813 -7.323 12.488 1.00 53.24 C ATOM 1787 CG2 VAL A 121 -0.125 -5.828 14.366 1.00 11.31 C ATOM 0 H VAL A 121 -1.737 -3.601 13.772 1.00 72.43 H new ATOM 0 HA VAL A 121 -0.018 -4.860 11.771 1.00 60.34 H new ATOM 0 HB VAL A 121 -2.103 -6.051 13.607 1.00 2.25 H new ATOM 0 HG11 VAL A 121 -0.879 -8.149 13.196 1.00 53.24 H new ATOM 0 HG12 VAL A 121 -1.549 -7.465 11.696 1.00 53.24 H new ATOM 0 HG13 VAL A 121 0.187 -7.296 12.054 1.00 53.24 H new ATOM 0 HG21 VAL A 121 -0.200 -6.680 15.041 1.00 11.31 H new ATOM 0 HG22 VAL A 121 0.893 -5.757 13.983 1.00 11.31 H new ATOM 0 HG23 VAL A 121 -0.375 -4.915 14.906 1.00 11.31 H new ATOM 1797 N MET A 122 -1.756 -4.896 9.960 1.00 54.03 N ATOM 1798 CA MET A 122 -2.731 -4.688 8.921 1.00 30.22 C ATOM 1799 C MET A 122 -3.285 -5.986 8.342 1.00 12.15 C ATOM 1800 O MET A 122 -2.601 -7.016 8.298 1.00 31.24 O ATOM 1801 CB MET A 122 -2.163 -3.738 7.882 1.00 64.23 C ATOM 1802 CG MET A 122 -3.149 -3.242 6.852 1.00 22.34 C ATOM 1803 SD MET A 122 -2.543 -1.785 5.995 1.00 21.15 S ATOM 1804 CE MET A 122 -2.622 -0.574 7.320 1.00 65.10 C ATOM 0 H MET A 122 -0.799 -5.033 9.633 1.00 54.03 H new ATOM 0 HA MET A 122 -3.610 -4.216 9.359 1.00 30.22 H new ATOM 0 HB2 MET A 122 -1.736 -2.877 8.396 1.00 64.23 H new ATOM 0 HB3 MET A 122 -1.344 -4.239 7.365 1.00 64.23 H new ATOM 0 HG2 MET A 122 -3.347 -4.033 6.129 1.00 22.34 H new ATOM 0 HG3 MET A 122 -4.096 -3.010 7.338 1.00 22.34 H new ATOM 0 HE1 MET A 122 -3.429 0.131 7.121 1.00 65.10 H new ATOM 0 HE2 MET A 122 -2.809 -1.082 8.266 1.00 65.10 H new ATOM 0 HE3 MET A 122 -1.676 -0.035 7.378 1.00 65.10 H new ATOM 1814 N GLN A 123 -4.534 -5.913 7.919 1.00 23.43 N ATOM 1815 CA GLN A 123 -5.324 -7.041 7.479 1.00 41.33 C ATOM 1816 C GLN A 123 -5.888 -6.805 6.084 1.00 51.40 C ATOM 1817 O GLN A 123 -5.954 -5.674 5.620 1.00 52.35 O ATOM 1818 CB GLN A 123 -6.468 -7.252 8.450 1.00 45.44 C ATOM 1819 CG GLN A 123 -6.029 -7.630 9.852 1.00 14.45 C ATOM 1820 CD GLN A 123 -7.170 -7.606 10.828 1.00 25.54 C ATOM 1821 OE1 GLN A 123 -8.321 -7.817 10.456 1.00 55.24 O ATOM 1822 NE2 GLN A 123 -6.870 -7.381 12.078 1.00 45.11 N ATOM 0 H GLN A 123 -5.043 -5.030 7.872 1.00 23.43 H new ATOM 0 HA GLN A 123 -4.683 -7.922 7.447 1.00 41.33 H new ATOM 0 HB2 GLN A 123 -7.061 -6.339 8.500 1.00 45.44 H new ATOM 0 HB3 GLN A 123 -7.120 -8.034 8.062 1.00 45.44 H new ATOM 0 HG2 GLN A 123 -5.587 -8.626 9.837 1.00 14.45 H new ATOM 0 HG3 GLN A 123 -5.253 -6.942 10.186 1.00 14.45 H new ATOM 0 HE21 GLN A 123 -5.901 -7.210 12.347 1.00 45.11 H new ATOM 0 HE22 GLN A 123 -7.604 -7.376 12.786 1.00 45.11 H new ATOM 1831 N THR A 124 -6.231 -7.877 5.412 1.00 53.43 N ATOM 1832 CA THR A 124 -6.845 -7.831 4.103 1.00 34.03 C ATOM 1833 C THR A 124 -8.164 -7.025 4.160 1.00 4.22 C ATOM 1834 O THR A 124 -9.053 -7.320 4.969 1.00 5.43 O ATOM 1835 CB THR A 124 -7.178 -9.271 3.675 1.00 4.12 C ATOM 1836 OG1 THR A 124 -6.036 -10.093 3.924 1.00 55.14 O ATOM 1837 CG2 THR A 124 -7.530 -9.345 2.196 1.00 1.22 C ATOM 0 H THR A 124 -6.090 -8.824 5.764 1.00 53.43 H new ATOM 0 HA THR A 124 -6.161 -7.357 3.399 1.00 34.03 H new ATOM 0 HB THR A 124 -8.041 -9.614 4.246 1.00 4.12 H new ATOM 0 HG1 THR A 124 -6.298 -11.037 3.885 1.00 55.14 H new ATOM 0 HG21 THR A 124 -7.760 -10.376 1.928 1.00 1.22 H new ATOM 0 HG22 THR A 124 -8.398 -8.716 1.997 1.00 1.22 H new ATOM 0 HG23 THR A 124 -6.685 -8.995 1.603 1.00 1.22 H new ATOM 1845 N GLY A 125 -8.254 -6.011 3.328 1.00 71.02 N ATOM 1846 CA GLY A 125 -9.437 -5.189 3.254 1.00 14.13 C ATOM 1847 C GLY A 125 -9.280 -3.900 4.022 1.00 13.32 C ATOM 1848 O GLY A 125 -10.113 -2.992 3.899 1.00 1.55 O ATOM 0 H GLY A 125 -7.511 -5.735 2.686 1.00 71.02 H new ATOM 0 HA2 GLY A 125 -9.657 -4.964 2.210 1.00 14.13 H new ATOM 0 HA3 GLY A 125 -10.289 -5.744 3.647 1.00 14.13 H new ATOM 1852 N ASP A 126 -8.198 -3.807 4.787 1.00 53.34 N ATOM 1853 CA ASP A 126 -7.917 -2.626 5.598 1.00 23.54 C ATOM 1854 C ASP A 126 -7.518 -1.485 4.676 1.00 75.12 C ATOM 1855 O ASP A 126 -6.964 -1.726 3.583 1.00 21.34 O ATOM 1856 CB ASP A 126 -6.796 -2.920 6.602 1.00 12.02 C ATOM 1857 CG ASP A 126 -6.661 -1.868 7.674 1.00 4.21 C ATOM 1858 OD1 ASP A 126 -6.019 -0.851 7.454 1.00 42.13 O ATOM 1859 OD2 ASP A 126 -7.236 -2.059 8.772 1.00 64.22 O ATOM 0 H ASP A 126 -7.495 -4.542 4.863 1.00 53.34 H new ATOM 0 HA ASP A 126 -8.807 -2.348 6.162 1.00 23.54 H new ATOM 0 HB2 ASP A 126 -6.983 -3.885 7.072 1.00 12.02 H new ATOM 0 HB3 ASP A 126 -5.851 -3.005 6.066 1.00 12.02 H new ATOM 1864 N GLU A 127 -7.784 -0.268 5.086 1.00 13.41 N ATOM 1865 CA GLU A 127 -7.537 0.859 4.237 1.00 63.12 C ATOM 1866 C GLU A 127 -6.633 1.882 4.895 1.00 12.41 C ATOM 1867 O GLU A 127 -6.785 2.226 6.094 1.00 51.34 O ATOM 1868 CB GLU A 127 -8.839 1.523 3.780 1.00 15.31 C ATOM 1869 CG GLU A 127 -9.690 2.111 4.899 1.00 2.13 C ATOM 1870 CD GLU A 127 -10.889 2.855 4.378 1.00 21.35 C ATOM 1871 OE1 GLU A 127 -10.772 4.070 4.056 1.00 24.53 O ATOM 1872 OE2 GLU A 127 -11.972 2.272 4.287 1.00 4.54 O ATOM 0 H GLU A 127 -8.171 -0.039 6.002 1.00 13.41 H new ATOM 0 HA GLU A 127 -7.023 0.471 3.358 1.00 63.12 H new ATOM 0 HB2 GLU A 127 -8.596 2.317 3.074 1.00 15.31 H new ATOM 0 HB3 GLU A 127 -9.434 0.787 3.240 1.00 15.31 H new ATOM 0 HG2 GLU A 127 -10.022 1.309 5.559 1.00 2.13 H new ATOM 0 HG3 GLU A 127 -9.080 2.786 5.499 1.00 2.13 H new ATOM 1879 N ILE A 128 -5.727 2.380 4.121 1.00 12.54 N ATOM 1880 CA ILE A 128 -4.829 3.395 4.551 1.00 42.51 C ATOM 1881 C ILE A 128 -5.269 4.660 3.849 1.00 13.11 C ATOM 1882 O ILE A 128 -5.421 4.677 2.614 1.00 20.42 O ATOM 1883 CB ILE A 128 -3.329 3.132 4.145 1.00 24.32 C ATOM 1884 CG1 ILE A 128 -2.839 1.708 4.486 1.00 43.12 C ATOM 1885 CG2 ILE A 128 -2.413 4.153 4.809 1.00 40.33 C ATOM 1886 CD1 ILE A 128 -3.282 0.621 3.513 1.00 1.34 C ATOM 0 H ILE A 128 -5.589 2.086 3.154 1.00 12.54 H new ATOM 0 HA ILE A 128 -4.860 3.442 5.640 1.00 42.51 H new ATOM 0 HB ILE A 128 -3.289 3.233 3.060 1.00 24.32 H new ATOM 0 HG12 ILE A 128 -1.750 1.715 4.527 1.00 43.12 H new ATOM 0 HG13 ILE A 128 -3.194 1.448 5.483 1.00 43.12 H new ATOM 0 HG21 ILE A 128 -1.380 3.958 4.519 1.00 40.33 H new ATOM 0 HG22 ILE A 128 -2.696 5.157 4.491 1.00 40.33 H new ATOM 0 HG23 ILE A 128 -2.506 4.075 5.892 1.00 40.33 H new ATOM 0 HD11 ILE A 128 -2.888 -0.342 3.839 1.00 1.34 H new ATOM 0 HD12 ILE A 128 -4.371 0.577 3.487 1.00 1.34 H new ATOM 0 HD13 ILE A 128 -2.905 0.849 2.516 1.00 1.34 H new ATOM 1898 N GLN A 129 -5.499 5.681 4.594 1.00 0.25 N ATOM 1899 CA GLN A 129 -5.879 6.926 4.029 1.00 4.33 C ATOM 1900 C GLN A 129 -4.696 7.845 4.203 1.00 21.40 C ATOM 1901 O GLN A 129 -4.105 7.924 5.276 1.00 53.52 O ATOM 1902 CB GLN A 129 -7.184 7.458 4.687 1.00 73.15 C ATOM 1903 CG GLN A 129 -7.880 8.627 3.953 1.00 73.21 C ATOM 1904 CD GLN A 129 -7.197 9.973 4.112 1.00 52.41 C ATOM 1905 OE1 GLN A 129 -6.589 10.250 5.116 1.00 0.10 O ATOM 1906 NE2 GLN A 129 -7.301 10.815 3.121 1.00 4.34 N ATOM 0 H GLN A 129 -5.429 5.678 5.612 1.00 0.25 H new ATOM 0 HA GLN A 129 -6.120 6.842 2.969 1.00 4.33 H new ATOM 0 HB2 GLN A 129 -7.891 6.632 4.767 1.00 73.15 H new ATOM 0 HB3 GLN A 129 -6.952 7.778 5.703 1.00 73.15 H new ATOM 0 HG2 GLN A 129 -7.938 8.388 2.891 1.00 73.21 H new ATOM 0 HG3 GLN A 129 -8.904 8.709 4.318 1.00 73.21 H new ATOM 0 HE21 GLN A 129 -7.821 10.555 2.283 1.00 4.34 H new ATOM 0 HE22 GLN A 129 -6.862 11.734 3.184 1.00 4.34 H new ATOM 1915 N ILE A 130 -4.319 8.439 3.141 1.00 1.40 N ATOM 1916 CA ILE A 130 -3.186 9.312 3.056 1.00 32.24 C ATOM 1917 C ILE A 130 -3.715 10.515 2.349 1.00 43.43 C ATOM 1918 O ILE A 130 -4.576 10.339 1.530 1.00 62.31 O ATOM 1919 CB ILE A 130 -2.024 8.665 2.237 1.00 34.33 C ATOM 1920 CG1 ILE A 130 -1.632 7.306 2.842 1.00 71.15 C ATOM 1921 CG2 ILE A 130 -0.817 9.600 2.171 1.00 5.34 C ATOM 1922 CD1 ILE A 130 -0.599 6.537 2.039 1.00 43.11 C ATOM 0 H ILE A 130 -4.808 8.334 2.252 1.00 1.40 H new ATOM 0 HA ILE A 130 -2.767 9.539 4.036 1.00 32.24 H new ATOM 0 HB ILE A 130 -2.374 8.499 1.218 1.00 34.33 H new ATOM 0 HG12 ILE A 130 -1.245 7.468 3.848 1.00 71.15 H new ATOM 0 HG13 ILE A 130 -2.528 6.693 2.940 1.00 71.15 H new ATOM 0 HG21 ILE A 130 -0.021 9.127 1.596 1.00 5.34 H new ATOM 0 HG22 ILE A 130 -1.106 10.534 1.690 1.00 5.34 H new ATOM 0 HG23 ILE A 130 -0.461 9.807 3.180 1.00 5.34 H new ATOM 0 HD11 ILE A 130 -0.381 5.592 2.537 1.00 43.11 H new ATOM 0 HD12 ILE A 130 -0.988 6.340 1.040 1.00 43.11 H new ATOM 0 HD13 ILE A 130 0.315 7.126 1.963 1.00 43.11 H new ATOM 1934 N GLY A 131 -3.349 11.706 2.776 1.00 64.03 N ATOM 1935 CA GLY A 131 -3.865 12.958 2.175 1.00 42.31 C ATOM 1936 C GLY A 131 -4.095 12.929 0.644 1.00 15.43 C ATOM 1937 O GLY A 131 -3.160 13.071 -0.132 1.00 41.43 O ATOM 0 H GLY A 131 -2.692 11.853 3.542 1.00 64.03 H new ATOM 0 HA2 GLY A 131 -4.808 13.209 2.660 1.00 42.31 H new ATOM 0 HA3 GLY A 131 -3.166 13.763 2.403 1.00 42.31 H new ATOM 1941 N LYS A 132 -5.386 12.726 0.251 1.00 2.13 N ATOM 1942 CA LYS A 132 -5.869 12.692 -1.159 1.00 42.24 C ATOM 1943 C LYS A 132 -5.550 11.368 -1.869 1.00 12.11 C ATOM 1944 O LYS A 132 -5.706 11.230 -3.083 1.00 23.32 O ATOM 1945 CB LYS A 132 -5.408 13.919 -1.961 1.00 5.00 C ATOM 1946 CG LYS A 132 -5.914 15.232 -1.373 1.00 12.22 C ATOM 1947 CD LYS A 132 -5.458 16.441 -2.164 1.00 52.13 C ATOM 1948 CE LYS A 132 -6.025 16.450 -3.569 1.00 73.32 C ATOM 1949 NZ LYS A 132 -5.681 17.691 -4.278 1.00 3.21 N ATOM 0 H LYS A 132 -6.137 12.578 0.925 1.00 2.13 H new ATOM 0 HA LYS A 132 -6.957 12.745 -1.109 1.00 42.24 H new ATOM 0 HB2 LYS A 132 -4.319 13.937 -1.995 1.00 5.00 H new ATOM 0 HB3 LYS A 132 -5.758 13.828 -2.989 1.00 5.00 H new ATOM 0 HG2 LYS A 132 -7.003 15.215 -1.340 1.00 12.22 H new ATOM 0 HG3 LYS A 132 -5.565 15.323 -0.344 1.00 12.22 H new ATOM 0 HD2 LYS A 132 -5.763 17.350 -1.645 1.00 52.13 H new ATOM 0 HD3 LYS A 132 -4.369 16.452 -2.213 1.00 52.13 H new ATOM 0 HE2 LYS A 132 -5.641 15.594 -4.124 1.00 73.32 H new ATOM 0 HE3 LYS A 132 -7.109 16.342 -3.526 1.00 73.32 H new ATOM 0 HZ1 LYS A 132 -6.084 17.666 -5.237 1.00 3.21 H new ATOM 0 HZ2 LYS A 132 -6.069 18.505 -3.760 1.00 3.21 H new ATOM 0 HZ3 LYS A 132 -4.647 17.781 -4.339 1.00 3.21 H new ATOM 1963 N PHE A 133 -5.183 10.401 -1.078 1.00 15.13 N ATOM 1964 CA PHE A 133 -4.871 9.049 -1.497 1.00 42.21 C ATOM 1965 C PHE A 133 -5.754 8.070 -0.739 1.00 25.14 C ATOM 1966 O PHE A 133 -6.154 8.325 0.401 1.00 41.11 O ATOM 1967 CB PHE A 133 -3.441 8.697 -1.126 1.00 54.31 C ATOM 1968 CG PHE A 133 -2.343 9.241 -1.969 1.00 14.23 C ATOM 1969 CD1 PHE A 133 -1.822 10.501 -1.737 1.00 74.44 C ATOM 1970 CD2 PHE A 133 -1.794 8.462 -2.969 1.00 24.50 C ATOM 1971 CE1 PHE A 133 -0.777 10.974 -2.496 1.00 24.03 C ATOM 1972 CE2 PHE A 133 -0.748 8.925 -3.722 1.00 62.13 C ATOM 1973 CZ PHE A 133 -0.240 10.181 -3.486 1.00 2.30 C ATOM 0 H PHE A 133 -5.086 10.533 -0.071 1.00 15.13 H new ATOM 0 HA PHE A 133 -5.023 8.989 -2.575 1.00 42.21 H new ATOM 0 HB2 PHE A 133 -3.271 9.030 -0.102 1.00 54.31 H new ATOM 0 HB3 PHE A 133 -3.354 7.610 -1.127 1.00 54.31 H new ATOM 0 HD1 PHE A 133 -2.239 11.118 -0.954 1.00 74.44 H new ATOM 0 HD2 PHE A 133 -2.194 7.477 -3.159 1.00 24.50 H new ATOM 0 HE1 PHE A 133 -0.380 11.962 -2.317 1.00 24.03 H new ATOM 0 HE2 PHE A 133 -0.324 8.306 -4.498 1.00 62.13 H new ATOM 0 HZ PHE A 133 0.584 10.547 -4.080 1.00 2.30 H new ATOM 1983 N ARG A 134 -6.044 6.961 -1.353 1.00 62.41 N ATOM 1984 CA ARG A 134 -6.791 5.888 -0.714 1.00 13.34 C ATOM 1985 C ARG A 134 -6.098 4.599 -1.100 1.00 2.54 C ATOM 1986 O ARG A 134 -5.953 4.321 -2.294 1.00 2.32 O ATOM 1987 CB ARG A 134 -8.259 5.838 -1.210 1.00 2.04 C ATOM 1988 CG ARG A 134 -9.058 7.137 -1.063 1.00 52.21 C ATOM 1989 CD ARG A 134 -9.226 7.585 0.381 1.00 2.22 C ATOM 1990 NE ARG A 134 -10.049 6.669 1.180 1.00 74.12 N ATOM 1991 CZ ARG A 134 -11.217 7.003 1.755 1.00 12.31 C ATOM 1992 NH1 ARG A 134 -11.798 8.166 1.465 1.00 3.13 N ATOM 1993 NH2 ARG A 134 -11.820 6.168 2.598 1.00 34.02 N ATOM 0 H ARG A 134 -5.773 6.762 -2.316 1.00 62.41 H new ATOM 0 HA ARG A 134 -6.817 6.044 0.364 1.00 13.34 H new ATOM 0 HB2 ARG A 134 -8.258 5.552 -2.262 1.00 2.04 H new ATOM 0 HB3 ARG A 134 -8.780 5.050 -0.666 1.00 2.04 H new ATOM 0 HG2 ARG A 134 -8.559 7.927 -1.625 1.00 52.21 H new ATOM 0 HG3 ARG A 134 -10.043 7.001 -1.510 1.00 52.21 H new ATOM 0 HD2 ARG A 134 -8.243 7.676 0.843 1.00 2.22 H new ATOM 0 HD3 ARG A 134 -9.678 8.577 0.396 1.00 2.22 H new ATOM 0 HE ARG A 134 -9.712 5.715 1.307 1.00 74.12 H new ATOM 0 HH11 ARG A 134 -11.357 8.806 0.805 1.00 3.13 H new ATOM 0 HH12 ARG A 134 -12.684 8.417 1.903 1.00 3.13 H new ATOM 0 HH21 ARG A 134 -11.396 5.266 2.813 1.00 34.02 H new ATOM 0 HH22 ARG A 134 -12.706 6.431 3.029 1.00 34.02 H new ATOM 2007 N LEU A 135 -5.617 3.856 -0.141 1.00 53.11 N ATOM 2008 CA LEU A 135 -4.920 2.607 -0.416 1.00 52.14 C ATOM 2009 C LEU A 135 -5.601 1.468 0.304 1.00 3.32 C ATOM 2010 O LEU A 135 -5.969 1.601 1.465 1.00 55.40 O ATOM 2011 CB LEU A 135 -3.422 2.657 -0.003 1.00 32.20 C ATOM 2012 CG LEU A 135 -2.448 3.542 -0.826 1.00 44.04 C ATOM 2013 CD1 LEU A 135 -2.746 5.027 -0.685 1.00 44.12 C ATOM 2014 CD2 LEU A 135 -1.011 3.253 -0.427 1.00 60.53 C ATOM 0 H LEU A 135 -5.691 4.088 0.850 1.00 53.11 H new ATOM 0 HA LEU A 135 -4.959 2.450 -1.494 1.00 52.14 H new ATOM 0 HB2 LEU A 135 -3.376 2.992 1.033 1.00 32.20 H new ATOM 0 HB3 LEU A 135 -3.039 1.637 -0.025 1.00 32.20 H new ATOM 0 HG LEU A 135 -2.593 3.286 -1.876 1.00 44.04 H new ATOM 0 HD11 LEU A 135 -2.035 5.599 -1.281 1.00 44.12 H new ATOM 0 HD12 LEU A 135 -3.758 5.230 -1.034 1.00 44.12 H new ATOM 0 HD13 LEU A 135 -2.659 5.318 0.362 1.00 44.12 H new ATOM 0 HD21 LEU A 135 -0.338 3.880 -1.012 1.00 60.53 H new ATOM 0 HD22 LEU A 135 -0.878 3.467 0.633 1.00 60.53 H new ATOM 0 HD23 LEU A 135 -0.785 2.204 -0.616 1.00 60.53 H new ATOM 2026 N VAL A 136 -5.773 0.365 -0.377 1.00 64.42 N ATOM 2027 CA VAL A 136 -6.401 -0.799 0.206 1.00 4.05 C ATOM 2028 C VAL A 136 -5.366 -1.906 0.306 1.00 11.33 C ATOM 2029 O VAL A 136 -4.643 -2.185 -0.664 1.00 21.23 O ATOM 2030 CB VAL A 136 -7.631 -1.282 -0.628 1.00 4.14 C ATOM 2031 CG1 VAL A 136 -8.298 -2.499 0.014 1.00 20.45 C ATOM 2032 CG2 VAL A 136 -8.643 -0.155 -0.793 1.00 11.41 C ATOM 0 H VAL A 136 -5.484 0.245 -1.348 1.00 64.42 H new ATOM 0 HA VAL A 136 -6.774 -0.535 1.195 1.00 4.05 H new ATOM 0 HB VAL A 136 -7.266 -1.576 -1.612 1.00 4.14 H new ATOM 0 HG11 VAL A 136 -9.150 -2.809 -0.592 1.00 20.45 H new ATOM 0 HG12 VAL A 136 -7.580 -3.317 0.076 1.00 20.45 H new ATOM 0 HG13 VAL A 136 -8.640 -2.240 1.016 1.00 20.45 H new ATOM 0 HG21 VAL A 136 -9.492 -0.511 -1.376 1.00 11.41 H new ATOM 0 HG22 VAL A 136 -8.988 0.171 0.188 1.00 11.41 H new ATOM 0 HG23 VAL A 136 -8.174 0.683 -1.309 1.00 11.41 H new ATOM 2042 N PHE A 137 -5.264 -2.495 1.461 1.00 5.25 N ATOM 2043 CA PHE A 137 -4.298 -3.530 1.712 1.00 72.25 C ATOM 2044 C PHE A 137 -4.936 -4.896 1.526 1.00 73.41 C ATOM 2045 O PHE A 137 -6.026 -5.157 2.038 1.00 11.21 O ATOM 2046 CB PHE A 137 -3.779 -3.382 3.137 1.00 33.22 C ATOM 2047 CG PHE A 137 -2.680 -4.331 3.532 1.00 23.02 C ATOM 2048 CD1 PHE A 137 -1.356 -3.987 3.330 1.00 11.23 C ATOM 2049 CD2 PHE A 137 -2.968 -5.547 4.137 1.00 15.05 C ATOM 2050 CE1 PHE A 137 -0.344 -4.835 3.718 1.00 24.23 C ATOM 2051 CE2 PHE A 137 -1.961 -6.394 4.527 1.00 20.45 C ATOM 2052 CZ PHE A 137 -0.647 -6.038 4.317 1.00 74.24 C ATOM 0 H PHE A 137 -5.852 -2.271 2.263 1.00 5.25 H new ATOM 0 HA PHE A 137 -3.470 -3.439 1.009 1.00 72.25 H new ATOM 0 HB2 PHE A 137 -3.418 -2.362 3.269 1.00 33.22 H new ATOM 0 HB3 PHE A 137 -4.614 -3.516 3.824 1.00 33.22 H new ATOM 0 HD1 PHE A 137 -1.114 -3.044 2.863 1.00 11.23 H new ATOM 0 HD2 PHE A 137 -3.997 -5.830 4.303 1.00 15.05 H new ATOM 0 HE1 PHE A 137 0.687 -4.558 3.553 1.00 24.23 H new ATOM 0 HE2 PHE A 137 -2.198 -7.337 4.997 1.00 20.45 H new ATOM 0 HZ PHE A 137 0.147 -6.703 4.622 1.00 74.24 H new ATOM 2062 N LEU A 138 -4.276 -5.753 0.795 1.00 43.11 N ATOM 2063 CA LEU A 138 -4.747 -7.097 0.582 1.00 60.10 C ATOM 2064 C LEU A 138 -3.611 -8.060 0.840 1.00 24.05 C ATOM 2065 O LEU A 138 -2.480 -7.805 0.453 1.00 13.11 O ATOM 2066 CB LEU A 138 -5.243 -7.271 -0.862 1.00 0.13 C ATOM 2067 CG LEU A 138 -6.404 -6.373 -1.301 1.00 23.35 C ATOM 2068 CD1 LEU A 138 -6.663 -6.532 -2.786 1.00 51.23 C ATOM 2069 CD2 LEU A 138 -7.668 -6.693 -0.514 1.00 64.03 C ATOM 0 H LEU A 138 -3.394 -5.540 0.329 1.00 43.11 H new ATOM 0 HA LEU A 138 -5.575 -7.297 1.262 1.00 60.10 H new ATOM 0 HB2 LEU A 138 -4.403 -7.095 -1.534 1.00 0.13 H new ATOM 0 HB3 LEU A 138 -5.546 -8.309 -0.995 1.00 0.13 H new ATOM 0 HG LEU A 138 -6.125 -5.339 -1.099 1.00 23.35 H new ATOM 0 HD11 LEU A 138 -7.491 -5.887 -3.082 1.00 51.23 H new ATOM 0 HD12 LEU A 138 -5.769 -6.253 -3.343 1.00 51.23 H new ATOM 0 HD13 LEU A 138 -6.916 -7.570 -3.002 1.00 51.23 H new ATOM 0 HD21 LEU A 138 -8.477 -6.042 -0.845 1.00 64.03 H new ATOM 0 HD22 LEU A 138 -7.948 -7.733 -0.682 1.00 64.03 H new ATOM 0 HD23 LEU A 138 -7.485 -6.533 0.549 1.00 64.03 H new ATOM 2081 N ALA A 139 -3.885 -9.132 1.520 1.00 63.51 N ATOM 2082 CA ALA A 139 -2.876 -10.143 1.722 1.00 63.23 C ATOM 2083 C ALA A 139 -2.753 -10.956 0.453 1.00 35.43 C ATOM 2084 O ALA A 139 -3.711 -11.026 -0.331 1.00 63.04 O ATOM 2085 CB ALA A 139 -3.212 -11.042 2.902 1.00 30.12 C ATOM 0 H ALA A 139 -4.790 -9.334 1.944 1.00 63.51 H new ATOM 0 HA ALA A 139 -1.927 -9.659 1.952 1.00 63.23 H new ATOM 0 HB1 ALA A 139 -2.429 -11.791 3.023 1.00 30.12 H new ATOM 0 HB2 ALA A 139 -3.283 -10.441 3.809 1.00 30.12 H new ATOM 0 HB3 ALA A 139 -4.165 -11.539 2.721 1.00 30.12 H new ATOM 2091 N GLY A 140 -1.580 -11.525 0.229 1.00 32.11 N ATOM 2092 CA GLY A 140 -1.349 -12.337 -0.936 1.00 55.21 C ATOM 2093 C GLY A 140 -2.289 -13.513 -0.960 1.00 45.05 C ATOM 2094 O GLY A 140 -2.414 -14.209 0.059 1.00 43.41 O ATOM 0 H GLY A 140 -0.774 -11.434 0.847 1.00 32.11 H new ATOM 0 HA2 GLY A 140 -1.486 -11.738 -1.836 1.00 55.21 H new ATOM 0 HA3 GLY A 140 -0.318 -12.689 -0.941 1.00 55.21 H new ATOM 2098 N PRO A 141 -2.967 -13.752 -2.097 1.00 5.43 N ATOM 2099 CA PRO A 141 -3.984 -14.798 -2.223 1.00 44.42 C ATOM 2100 C PRO A 141 -3.467 -16.201 -1.881 1.00 71.22 C ATOM 2101 O PRO A 141 -2.247 -16.476 -1.929 1.00 0.33 O ATOM 2102 CB PRO A 141 -4.417 -14.718 -3.695 1.00 22.54 C ATOM 2103 CG PRO A 141 -3.330 -13.970 -4.381 1.00 31.13 C ATOM 2104 CD PRO A 141 -2.791 -13.017 -3.364 1.00 4.04 C ATOM 0 HA PRO A 141 -4.799 -14.637 -1.517 1.00 44.42 H new ATOM 0 HB2 PRO A 141 -4.542 -15.713 -4.123 1.00 22.54 H new ATOM 0 HB3 PRO A 141 -5.373 -14.205 -3.797 1.00 22.54 H new ATOM 0 HG2 PRO A 141 -2.552 -14.647 -4.735 1.00 31.13 H new ATOM 0 HG3 PRO A 141 -3.711 -13.438 -5.253 1.00 31.13 H new ATOM 0 HD2 PRO A 141 -1.744 -12.777 -3.550 1.00 4.04 H new ATOM 0 HD3 PRO A 141 -3.338 -12.074 -3.364 1.00 4.04 H new ATOM 2112 N ALA A 142 -4.399 -17.086 -1.587 1.00 0.43 N ATOM 2113 CA ALA A 142 -4.139 -18.452 -1.160 1.00 71.01 C ATOM 2114 C ALA A 142 -3.822 -19.357 -2.349 1.00 51.55 C ATOM 2115 O ALA A 142 -4.386 -20.446 -2.502 1.00 31.11 O ATOM 2116 CB ALA A 142 -5.339 -18.972 -0.378 1.00 14.03 C ATOM 0 H ALA A 142 -5.394 -16.869 -1.640 1.00 0.43 H new ATOM 0 HA ALA A 142 -3.261 -18.458 -0.514 1.00 71.01 H new ATOM 0 HB1 ALA A 142 -5.148 -19.996 -0.056 1.00 14.03 H new ATOM 0 HB2 ALA A 142 -5.505 -18.342 0.496 1.00 14.03 H new ATOM 0 HB3 ALA A 142 -6.224 -18.951 -1.013 1.00 14.03 H new ATOM 2122 N GLU A 143 -2.935 -18.881 -3.171 1.00 62.22 N ATOM 2123 CA GLU A 143 -2.439 -19.574 -4.289 1.00 13.34 C ATOM 2124 C GLU A 143 -1.428 -20.586 -3.801 1.00 14.54 C ATOM 2125 O GLU A 143 -0.270 -20.205 -3.543 1.00 35.81 O ATOM 2126 CB GLU A 143 -1.777 -18.574 -5.228 1.00 11.22 C ATOM 2127 CG GLU A 143 -2.720 -17.533 -5.815 1.00 61.54 C ATOM 2128 CD GLU A 143 -3.725 -18.117 -6.779 1.00 4.51 C ATOM 2129 OE1 GLU A 143 -4.664 -18.804 -6.345 1.00 60.01 O ATOM 2130 OE2 GLU A 143 -3.590 -17.897 -8.008 1.00 13.55 O ATOM 2131 OXT GLU A 143 -1.782 -21.758 -3.632 1.00 35.81 O ATOM 0 H GLU A 143 -2.527 -17.952 -3.062 1.00 62.22 H new ATOM 0 HA GLU A 143 -3.239 -20.086 -4.824 1.00 13.34 H new ATOM 0 HB2 GLU A 143 -0.982 -18.061 -4.688 1.00 11.22 H new ATOM 0 HB3 GLU A 143 -1.306 -19.120 -6.045 1.00 11.22 H new ATOM 0 HG2 GLU A 143 -3.251 -17.035 -5.004 1.00 61.54 H new ATOM 0 HG3 GLU A 143 -2.135 -16.770 -6.328 1.00 61.54 H new TER 2138 GLU A 143