USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 945 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 CYS SG : rot -151:sc= -0.0638 USER MOD Set 1.2: A 88 THR OG1 : rot 180:sc= -1.87! USER MOD Set 1.3: A 119 HIS : no HD1:sc= 0.56 K(o=1.4,f=-8.5!) USER MOD Set 1.4: A 131 HIS : no HD1:sc= 1.86 K(o=1.4,f=-15!) USER MOD Set 1.5: A 141 SER OG : rot -141:sc= 0.956 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -111:sc= -0.584 (180deg=-2.73!) USER MOD Single : A 47 GLN : amide:sc= -2.65! C(o=-2.6!,f=-4!) USER MOD Single : A 48 TYR OH : rot 20:sc= 0.486 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.64 USER MOD Single : A 61 SER OG : rot -169:sc= 0.717 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.504 USER MOD Single : A 63 LYS NZ :NH3+ -111:sc= -0.99 (180deg=-3.2!) USER MOD Single : A 64 LYS NZ :NH3+ -162:sc= -0.0799 (180deg=-0.416) USER MOD Single : A 69 SER OG : rot 13:sc= 0.997 USER MOD Single : A 73 GLN : amide:sc= -0.196 K(o=-0.2,f=-2.5!) USER MOD Single : A 75 THR OG1 : rot 69:sc= 0.0568 USER MOD Single : A 79 GLN : amide:sc= -4.11! C(o=-4.1!,f=-6.1!) USER MOD Single : A 87 SER OG : rot -70:sc= -0.527 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 1.14 K(o=1.1,f=-1.8) USER MOD Single : A 92 GLN : amide:sc= -3.04 K(o=-3,f=-15!) USER MOD Single : A 94 MET CE :methyl -162:sc= -0.0984 (180deg=-0.543) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot -113:sc= 0.653 USER MOD Single : A 99 SER OG : rot 180:sc= -0.0964 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 105 THR OG1 : rot -80:sc= 0.286 USER MOD Single : A 123 TYR OH : rot 180:sc= 0.694 USER MOD Single : A 126 ASN : amide:sc= -0.202 K(o=-0.2,f=-2.7!) USER MOD Single : A 127 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 GLN :FLIP amide:sc= 0 F(o=-0.91,f=0) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 180:sc= -0.806 USER MOD Single : A 143 MET CE :methyl -169:sc= -0.0263 (180deg=-0.278) USER MOD Single : A 144 ASN : amide:sc= -1.02 K(o=-1,f=-6.6!) USER MOD Single : A 147 TYR OH : rot 180:sc= 0 USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 TYR OH : rot 30:sc= 0.905 USER MOD Single : A 153 ASN : amide:sc= -1.39! C(o=-1.4!,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 50 N ASP A 39 -10.215 -13.793 3.201 1.00 31.20 N ATOM 51 CA ASP A 39 -9.893 -13.103 1.949 1.00 43.23 C ATOM 52 C ASP A 39 -9.032 -11.864 2.224 1.00 1.45 C ATOM 53 O ASP A 39 -9.501 -10.896 2.830 1.00 63.33 O ATOM 54 CB ASP A 39 -11.171 -12.673 1.216 1.00 30.43 C ATOM 55 CG ASP A 39 -12.091 -13.833 0.893 1.00 53.21 C ATOM 56 OD1 ASP A 39 -11.798 -14.587 -0.059 1.00 0.53 O ATOM 57 OD2 ASP A 39 -13.129 -13.982 1.572 1.00 73.23 O ATOM 0 HA ASP A 39 -9.338 -13.800 1.321 1.00 43.23 H new ATOM 0 HB2 ASP A 39 -11.709 -11.951 1.830 1.00 30.43 H new ATOM 0 HB3 ASP A 39 -10.898 -12.165 0.291 1.00 30.43 H new ATOM 62 N VAL A 40 -7.776 -11.895 1.778 1.00 72.21 N ATOM 63 CA VAL A 40 -6.861 -10.761 1.954 1.00 55.25 C ATOM 64 C VAL A 40 -7.507 -9.443 1.491 1.00 64.01 C ATOM 65 O VAL A 40 -7.539 -8.464 2.235 1.00 12.51 O ATOM 66 CB VAL A 40 -5.530 -10.981 1.188 1.00 32.01 C ATOM 67 CG1 VAL A 40 -4.612 -9.769 1.315 1.00 31.21 C ATOM 68 CG2 VAL A 40 -4.820 -12.243 1.680 1.00 53.03 C ATOM 0 H VAL A 40 -7.366 -12.692 1.292 1.00 72.21 H new ATOM 0 HA VAL A 40 -6.645 -10.693 3.020 1.00 55.25 H new ATOM 0 HB VAL A 40 -5.774 -11.111 0.134 1.00 32.01 H new ATOM 0 HG11 VAL A 40 -3.688 -9.954 0.768 1.00 31.21 H new ATOM 0 HG12 VAL A 40 -5.109 -8.891 0.902 1.00 31.21 H new ATOM 0 HG13 VAL A 40 -4.383 -9.595 2.366 1.00 31.21 H new ATOM 0 HG21 VAL A 40 -3.890 -12.376 1.128 1.00 53.03 H new ATOM 0 HG22 VAL A 40 -4.600 -12.146 2.743 1.00 53.03 H new ATOM 0 HG23 VAL A 40 -5.463 -13.108 1.520 1.00 53.03 H new ATOM 78 N LYS A 41 -8.051 -9.440 0.273 1.00 2.51 N ATOM 79 CA LYS A 41 -8.724 -8.256 -0.282 1.00 11.44 C ATOM 80 C LYS A 41 -9.845 -7.756 0.645 1.00 64.31 C ATOM 81 O LYS A 41 -9.970 -6.555 0.894 1.00 44.22 O ATOM 82 CB LYS A 41 -9.297 -8.576 -1.668 1.00 41.41 C ATOM 83 CG LYS A 41 -9.973 -7.389 -2.350 1.00 41.11 C ATOM 84 CD LYS A 41 -10.526 -7.767 -3.721 1.00 53.50 C ATOM 85 CE LYS A 41 -11.140 -6.569 -4.433 1.00 62.31 C ATOM 86 NZ LYS A 41 -11.646 -6.929 -5.784 1.00 3.14 N ATOM 0 H LYS A 41 -8.040 -10.245 -0.353 1.00 2.51 H new ATOM 0 HA LYS A 41 -7.981 -7.463 -0.370 1.00 11.44 H new ATOM 0 HB2 LYS A 41 -8.492 -8.939 -2.307 1.00 41.41 H new ATOM 0 HB3 LYS A 41 -10.019 -9.387 -1.573 1.00 41.41 H new ATOM 0 HG2 LYS A 41 -10.782 -7.020 -1.720 1.00 41.11 H new ATOM 0 HG3 LYS A 41 -9.256 -6.575 -2.458 1.00 41.11 H new ATOM 0 HD2 LYS A 41 -9.726 -8.183 -4.333 1.00 53.50 H new ATOM 0 HD3 LYS A 41 -11.279 -8.547 -3.607 1.00 53.50 H new ATOM 0 HE2 LYS A 41 -11.958 -6.170 -3.833 1.00 62.31 H new ATOM 0 HE3 LYS A 41 -10.395 -5.778 -4.523 1.00 62.31 H new ATOM 0 HZ1 LYS A 41 -12.056 -6.087 -6.237 1.00 3.14 H new ATOM 0 HZ2 LYS A 41 -10.861 -7.286 -6.365 1.00 3.14 H new ATOM 0 HZ3 LYS A 41 -12.375 -7.665 -5.697 1.00 3.14 H new ATOM 100 N SER A 42 -10.654 -8.685 1.157 1.00 24.20 N ATOM 101 CA SER A 42 -11.740 -8.348 2.092 1.00 41.22 C ATOM 102 C SER A 42 -11.189 -7.674 3.355 1.00 52.43 C ATOM 103 O SER A 42 -11.766 -6.715 3.862 1.00 73.32 O ATOM 104 CB SER A 42 -12.532 -9.609 2.474 1.00 53.33 C ATOM 105 OG SER A 42 -13.524 -9.329 3.452 1.00 1.44 O ATOM 0 H SER A 42 -10.581 -9.679 0.942 1.00 24.20 H new ATOM 0 HA SER A 42 -12.408 -7.648 1.591 1.00 41.22 H new ATOM 0 HB2 SER A 42 -13.005 -10.025 1.585 1.00 53.33 H new ATOM 0 HB3 SER A 42 -11.848 -10.367 2.856 1.00 53.33 H new ATOM 0 HG SER A 42 -14.009 -10.152 3.671 1.00 1.44 H new ATOM 111 N ARG A 43 -10.054 -8.170 3.842 1.00 1.21 N ATOM 112 CA ARG A 43 -9.388 -7.595 5.016 1.00 54.22 C ATOM 113 C ARG A 43 -8.835 -6.185 4.728 1.00 71.31 C ATOM 114 O ARG A 43 -8.956 -5.282 5.557 1.00 70.21 O ATOM 115 CB ARG A 43 -8.261 -8.532 5.477 1.00 51.42 C ATOM 116 CG ARG A 43 -8.759 -9.834 6.109 1.00 14.44 C ATOM 117 CD ARG A 43 -8.924 -9.721 7.628 1.00 74.21 C ATOM 118 NE ARG A 43 -9.813 -8.628 8.040 1.00 71.31 N ATOM 119 CZ ARG A 43 -10.157 -8.399 9.284 1.00 70.43 C ATOM 120 NH1 ARG A 43 -9.727 -9.166 10.234 1.00 71.12 N ATOM 121 NH2 ARG A 43 -10.924 -7.400 9.580 1.00 33.23 N ATOM 0 H ARG A 43 -9.571 -8.974 3.441 1.00 1.21 H new ATOM 0 HA ARG A 43 -10.127 -7.494 5.811 1.00 54.22 H new ATOM 0 HB2 ARG A 43 -7.629 -8.773 4.622 1.00 51.42 H new ATOM 0 HB3 ARG A 43 -7.635 -8.005 6.198 1.00 51.42 H new ATOM 0 HG2 ARG A 43 -9.714 -10.109 5.662 1.00 14.44 H new ATOM 0 HG3 ARG A 43 -8.058 -10.637 5.881 1.00 14.44 H new ATOM 0 HD2 ARG A 43 -9.315 -10.662 8.014 1.00 74.21 H new ATOM 0 HD3 ARG A 43 -7.944 -9.573 8.082 1.00 74.21 H new ATOM 0 HE ARG A 43 -10.184 -8.012 7.317 1.00 71.31 H new ATOM 0 HH11 ARG A 43 -9.117 -9.954 10.017 1.00 71.12 H new ATOM 0 HH12 ARG A 43 -9.998 -8.982 11.200 1.00 71.12 H new ATOM 0 HH21 ARG A 43 -11.266 -6.784 8.843 1.00 33.23 H new ATOM 0 HH22 ARG A 43 -11.187 -7.229 10.551 1.00 33.23 H new ATOM 135 N ILE A 44 -8.233 -6.003 3.552 1.00 33.42 N ATOM 136 CA ILE A 44 -7.690 -4.695 3.155 1.00 40.32 C ATOM 137 C ILE A 44 -8.811 -3.650 3.013 1.00 3.13 C ATOM 138 O ILE A 44 -8.689 -2.520 3.488 1.00 4.23 O ATOM 139 CB ILE A 44 -6.910 -4.786 1.816 1.00 24.11 C ATOM 140 CG1 ILE A 44 -5.865 -5.911 1.878 1.00 53.32 C ATOM 141 CG2 ILE A 44 -6.232 -3.451 1.499 1.00 63.23 C ATOM 142 CD1 ILE A 44 -5.220 -6.216 0.541 1.00 23.54 C ATOM 0 H ILE A 44 -8.107 -6.739 2.857 1.00 33.42 H new ATOM 0 HA ILE A 44 -7.005 -4.385 3.944 1.00 40.32 H new ATOM 0 HB ILE A 44 -7.620 -5.013 1.020 1.00 24.11 H new ATOM 0 HG12 ILE A 44 -5.089 -5.635 2.592 1.00 53.32 H new ATOM 0 HG13 ILE A 44 -6.340 -6.816 2.257 1.00 53.32 H new ATOM 0 HG21 ILE A 44 -5.690 -3.533 0.557 1.00 63.23 H new ATOM 0 HG22 ILE A 44 -6.988 -2.670 1.416 1.00 63.23 H new ATOM 0 HG23 ILE A 44 -5.535 -3.198 2.298 1.00 63.23 H new ATOM 0 HD11 ILE A 44 -4.494 -7.020 0.662 1.00 23.54 H new ATOM 0 HD12 ILE A 44 -5.986 -6.523 -0.171 1.00 23.54 H new ATOM 0 HD13 ILE A 44 -4.715 -5.324 0.169 1.00 23.54 H new ATOM 154 N MET A 45 -9.906 -4.038 2.357 1.00 12.25 N ATOM 155 CA MET A 45 -11.080 -3.164 2.216 1.00 22.23 C ATOM 156 C MET A 45 -11.735 -2.902 3.582 1.00 53.44 C ATOM 157 O MET A 45 -12.226 -1.804 3.848 1.00 33.20 O ATOM 158 CB MET A 45 -12.101 -3.785 1.252 1.00 13.14 C ATOM 159 CG MET A 45 -11.596 -3.975 -0.181 1.00 40.22 C ATOM 160 SD MET A 45 -11.229 -2.421 -1.039 1.00 1.51 S ATOM 161 CE MET A 45 -9.536 -2.102 -0.536 1.00 54.33 C ATOM 0 H MET A 45 -10.008 -4.951 1.914 1.00 12.25 H new ATOM 0 HA MET A 45 -10.744 -2.212 1.806 1.00 22.23 H new ATOM 0 HB2 MET A 45 -12.409 -4.754 1.645 1.00 13.14 H new ATOM 0 HB3 MET A 45 -12.989 -3.153 1.229 1.00 13.14 H new ATOM 0 HG2 MET A 45 -10.696 -4.589 -0.161 1.00 40.22 H new ATOM 0 HG3 MET A 45 -12.345 -4.526 -0.750 1.00 40.22 H new ATOM 0 HE1 MET A 45 -9.510 -1.235 0.124 1.00 54.33 H new ATOM 0 HE2 MET A 45 -9.143 -2.971 -0.009 1.00 54.33 H new ATOM 0 HE3 MET A 45 -8.925 -1.906 -1.417 1.00 54.33 H new ATOM 171 N ASP A 46 -11.729 -3.924 4.438 1.00 51.11 N ATOM 172 CA ASP A 46 -12.231 -3.813 5.813 1.00 40.01 C ATOM 173 C ASP A 46 -11.531 -2.665 6.564 1.00 63.43 C ATOM 174 O ASP A 46 -12.178 -1.838 7.206 1.00 43.50 O ATOM 175 CB ASP A 46 -12.004 -5.152 6.530 1.00 55.21 C ATOM 176 CG ASP A 46 -12.567 -5.186 7.937 1.00 50.25 C ATOM 177 OD1 ASP A 46 -13.764 -5.494 8.090 1.00 21.23 O ATOM 178 OD2 ASP A 46 -11.805 -4.938 8.893 1.00 74.21 O ATOM 0 H ASP A 46 -11.377 -4.852 4.201 1.00 51.11 H new ATOM 0 HA ASP A 46 -13.297 -3.585 5.793 1.00 40.01 H new ATOM 0 HB2 ASP A 46 -12.460 -5.951 5.945 1.00 55.21 H new ATOM 0 HB3 ASP A 46 -10.934 -5.357 6.570 1.00 55.21 H new ATOM 183 N GLN A 47 -10.204 -2.628 6.465 1.00 23.23 N ATOM 184 CA GLN A 47 -9.405 -1.539 7.040 1.00 22.22 C ATOM 185 C GLN A 47 -9.695 -0.215 6.329 1.00 72.21 C ATOM 186 O GLN A 47 -9.925 0.815 6.968 1.00 0.11 O ATOM 187 CB GLN A 47 -7.911 -1.864 6.914 1.00 11.32 C ATOM 188 CG GLN A 47 -6.980 -0.814 7.525 1.00 41.53 C ATOM 189 CD GLN A 47 -6.958 -0.842 9.047 1.00 52.43 C ATOM 190 OE1 GLN A 47 -7.928 -1.214 9.697 1.00 32.05 O ATOM 191 NE2 GLN A 47 -5.848 -0.438 9.635 1.00 32.21 N ATOM 0 H GLN A 47 -9.653 -3.343 5.990 1.00 23.23 H new ATOM 0 HA GLN A 47 -9.674 -1.440 8.092 1.00 22.22 H new ATOM 0 HB2 GLN A 47 -7.719 -2.824 7.393 1.00 11.32 H new ATOM 0 HB3 GLN A 47 -7.665 -1.979 5.858 1.00 11.32 H new ATOM 0 HG2 GLN A 47 -5.969 -0.973 7.151 1.00 41.53 H new ATOM 0 HG3 GLN A 47 -7.291 0.176 7.191 1.00 41.53 H new ATOM 0 HE21 GLN A 47 -5.054 -0.133 9.072 1.00 32.21 H new ATOM 0 HE22 GLN A 47 -5.784 -0.431 10.653 1.00 32.21 H new ATOM 200 N TYR A 48 -9.683 -0.249 4.997 1.00 71.41 N ATOM 201 CA TYR A 48 -9.926 0.950 4.193 1.00 24.44 C ATOM 202 C TYR A 48 -11.269 1.603 4.553 1.00 22.30 C ATOM 203 O TYR A 48 -11.402 2.825 4.505 1.00 75.33 O ATOM 204 CB TYR A 48 -9.877 0.614 2.693 1.00 74.33 C ATOM 205 CG TYR A 48 -10.077 1.818 1.787 1.00 32.34 C ATOM 206 CD1 TYR A 48 -9.429 3.021 2.047 1.00 42.45 C ATOM 207 CD2 TYR A 48 -10.919 1.758 0.679 1.00 11.52 C ATOM 208 CE1 TYR A 48 -9.612 4.123 1.236 1.00 14.14 C ATOM 209 CE2 TYR A 48 -11.105 2.859 -0.137 1.00 42.04 C ATOM 210 CZ TYR A 48 -10.449 4.039 0.148 1.00 62.41 C ATOM 211 OH TYR A 48 -10.635 5.143 -0.654 1.00 60.12 O ATOM 0 H TYR A 48 -9.508 -1.093 4.451 1.00 71.41 H new ATOM 0 HA TYR A 48 -9.135 1.666 4.417 1.00 24.44 H new ATOM 0 HB2 TYR A 48 -8.915 0.155 2.464 1.00 74.33 H new ATOM 0 HB3 TYR A 48 -10.645 -0.127 2.471 1.00 74.33 H new ATOM 0 HD1 TYR A 48 -8.770 3.094 2.900 1.00 42.45 H new ATOM 0 HD2 TYR A 48 -11.435 0.837 0.453 1.00 11.52 H new ATOM 0 HE1 TYR A 48 -9.100 5.048 1.455 1.00 14.14 H new ATOM 0 HE2 TYR A 48 -11.760 2.796 -0.993 1.00 42.04 H new ATOM 0 HH TYR A 48 -9.894 5.771 -0.523 1.00 60.12 H new ATOM 221 N ALA A 49 -12.255 0.791 4.932 1.00 64.40 N ATOM 222 CA ALA A 49 -13.560 1.304 5.365 1.00 31.45 C ATOM 223 C ALA A 49 -13.417 2.330 6.505 1.00 21.42 C ATOM 224 O ALA A 49 -14.195 3.278 6.607 1.00 65.41 O ATOM 225 CB ALA A 49 -14.460 0.152 5.794 1.00 45.13 C ATOM 0 H ALA A 49 -12.178 -0.226 4.949 1.00 64.40 H new ATOM 0 HA ALA A 49 -14.016 1.816 4.518 1.00 31.45 H new ATOM 0 HB1 ALA A 49 -15.426 0.544 6.113 1.00 45.13 H new ATOM 0 HB2 ALA A 49 -14.604 -0.529 4.955 1.00 45.13 H new ATOM 0 HB3 ALA A 49 -13.995 -0.385 6.621 1.00 45.13 H new ATOM 231 N ASP A 50 -12.413 2.129 7.353 1.00 3.02 N ATOM 232 CA ASP A 50 -12.114 3.053 8.452 1.00 22.45 C ATOM 233 C ASP A 50 -11.236 4.236 7.997 1.00 44.21 C ATOM 234 O ASP A 50 -11.206 5.283 8.648 1.00 73.43 O ATOM 235 CB ASP A 50 -11.417 2.291 9.585 1.00 50.34 C ATOM 236 CG ASP A 50 -12.379 1.414 10.365 1.00 73.23 C ATOM 237 OD1 ASP A 50 -12.774 0.347 9.855 1.00 34.11 O ATOM 238 OD2 ASP A 50 -12.764 1.804 11.489 1.00 41.45 O ATOM 0 H ASP A 50 -11.785 1.327 7.302 1.00 3.02 H new ATOM 0 HA ASP A 50 -13.059 3.467 8.804 1.00 22.45 H new ATOM 0 HB2 ASP A 50 -10.621 1.673 9.169 1.00 50.34 H new ATOM 0 HB3 ASP A 50 -10.946 3.003 10.263 1.00 50.34 H new ATOM 243 N TRP A 51 -10.530 4.065 6.879 1.00 32.41 N ATOM 244 CA TRP A 51 -9.575 5.077 6.391 1.00 63.43 C ATOM 245 C TRP A 51 -10.016 5.718 5.057 1.00 71.05 C ATOM 246 O TRP A 51 -9.209 6.344 4.362 1.00 14.14 O ATOM 247 CB TRP A 51 -8.186 4.437 6.233 1.00 73.23 C ATOM 248 CG TRP A 51 -7.583 3.982 7.534 1.00 43.42 C ATOM 249 CD1 TRP A 51 -7.912 2.867 8.251 1.00 74.41 C ATOM 250 CD2 TRP A 51 -6.547 4.640 8.276 1.00 21.23 C ATOM 251 NE1 TRP A 51 -7.149 2.794 9.389 1.00 65.45 N ATOM 252 CE2 TRP A 51 -6.300 3.866 9.425 1.00 11.41 C ATOM 253 CE3 TRP A 51 -5.801 5.805 8.077 1.00 54.14 C ATOM 254 CZ2 TRP A 51 -5.344 4.221 10.372 1.00 60.33 C ATOM 255 CZ3 TRP A 51 -4.852 6.156 9.017 1.00 53.54 C ATOM 256 CH2 TRP A 51 -4.629 5.367 10.153 1.00 42.14 C ATOM 0 H TRP A 51 -10.597 3.236 6.289 1.00 32.41 H new ATOM 0 HA TRP A 51 -9.540 5.877 7.131 1.00 63.43 H new ATOM 0 HB2 TRP A 51 -8.262 3.584 5.559 1.00 73.23 H new ATOM 0 HB3 TRP A 51 -7.515 5.156 5.762 1.00 73.23 H new ATOM 0 HD1 TRP A 51 -8.664 2.147 7.964 1.00 74.41 H new ATOM 0 HE1 TRP A 51 -7.206 2.059 10.094 1.00 65.45 H new ATOM 0 HE3 TRP A 51 -5.964 6.420 7.204 1.00 54.14 H new ATOM 0 HZ2 TRP A 51 -5.173 3.614 11.248 1.00 60.33 H new ATOM 0 HZ3 TRP A 51 -4.271 7.055 8.874 1.00 53.54 H new ATOM 0 HH2 TRP A 51 -3.879 5.669 10.869 1.00 42.14 H new ATOM 267 N LYS A 52 -11.297 5.585 4.710 1.00 14.03 N ATOM 268 CA LYS A 52 -11.829 6.180 3.471 1.00 3.20 C ATOM 269 C LYS A 52 -11.729 7.715 3.470 1.00 3.12 C ATOM 270 O LYS A 52 -12.428 8.401 4.222 1.00 34.03 O ATOM 271 CB LYS A 52 -13.290 5.757 3.242 1.00 4.31 C ATOM 272 CG LYS A 52 -13.456 4.292 2.846 1.00 60.01 C ATOM 273 CD LYS A 52 -14.918 3.927 2.579 1.00 13.02 C ATOM 274 CE LYS A 52 -15.784 4.088 3.824 1.00 24.23 C ATOM 275 NZ LYS A 52 -17.197 3.696 3.575 1.00 73.44 N ATOM 0 H LYS A 52 -11.986 5.075 5.262 1.00 14.03 H new ATOM 0 HA LYS A 52 -11.211 5.804 2.656 1.00 3.20 H new ATOM 0 HB2 LYS A 52 -13.859 5.943 4.153 1.00 4.31 H new ATOM 0 HB3 LYS A 52 -13.722 6.385 2.463 1.00 4.31 H new ATOM 0 HG2 LYS A 52 -12.864 4.089 1.953 1.00 60.01 H new ATOM 0 HG3 LYS A 52 -13.064 3.656 3.640 1.00 60.01 H new ATOM 0 HD2 LYS A 52 -15.309 4.558 1.781 1.00 13.02 H new ATOM 0 HD3 LYS A 52 -14.976 2.897 2.228 1.00 13.02 H new ATOM 0 HE2 LYS A 52 -15.376 3.479 4.631 1.00 24.23 H new ATOM 0 HE3 LYS A 52 -15.749 5.125 4.158 1.00 24.23 H new ATOM 0 HZ1 LYS A 52 -17.751 3.821 4.447 1.00 73.44 H new ATOM 0 HZ2 LYS A 52 -17.596 4.294 2.823 1.00 73.44 H new ATOM 0 HZ3 LYS A 52 -17.234 2.699 3.281 1.00 73.44 H new ATOM 289 N GLY A 53 -10.850 8.245 2.624 1.00 34.32 N ATOM 290 CA GLY A 53 -10.744 9.689 2.447 1.00 51.31 C ATOM 291 C GLY A 53 -9.772 10.374 3.409 1.00 0.15 C ATOM 292 O GLY A 53 -9.886 11.574 3.654 1.00 34.53 O ATOM 0 H GLY A 53 -10.204 7.699 2.053 1.00 34.32 H new ATOM 0 HA2 GLY A 53 -10.429 9.895 1.424 1.00 51.31 H new ATOM 0 HA3 GLY A 53 -11.732 10.132 2.572 1.00 51.31 H new ATOM 296 N VAL A 54 -8.826 9.622 3.969 1.00 70.52 N ATOM 297 CA VAL A 54 -7.791 10.211 4.831 1.00 71.44 C ATOM 298 C VAL A 54 -6.663 10.837 3.989 1.00 54.12 C ATOM 299 O VAL A 54 -5.998 10.148 3.217 1.00 31.33 O ATOM 300 CB VAL A 54 -7.194 9.157 5.801 1.00 43.04 C ATOM 301 CG1 VAL A 54 -6.075 9.765 6.648 1.00 22.33 C ATOM 302 CG2 VAL A 54 -8.291 8.570 6.692 1.00 51.22 C ATOM 0 H VAL A 54 -8.751 8.612 3.846 1.00 70.52 H new ATOM 0 HA VAL A 54 -8.270 10.993 5.420 1.00 71.44 H new ATOM 0 HB VAL A 54 -6.764 8.351 5.207 1.00 43.04 H new ATOM 0 HG11 VAL A 54 -5.673 9.006 7.319 1.00 22.33 H new ATOM 0 HG12 VAL A 54 -5.281 10.129 5.995 1.00 22.33 H new ATOM 0 HG13 VAL A 54 -6.472 10.594 7.234 1.00 22.33 H new ATOM 0 HG21 VAL A 54 -7.856 7.832 7.367 1.00 51.22 H new ATOM 0 HG22 VAL A 54 -8.752 9.367 7.275 1.00 51.22 H new ATOM 0 HG23 VAL A 54 -9.048 8.091 6.070 1.00 51.22 H new ATOM 312 N ARG A 55 -6.462 12.145 4.128 1.00 53.41 N ATOM 313 CA ARG A 55 -5.449 12.860 3.338 1.00 0.33 C ATOM 314 C ARG A 55 -4.010 12.526 3.773 1.00 25.02 C ATOM 315 O ARG A 55 -3.773 12.006 4.865 1.00 44.12 O ATOM 316 CB ARG A 55 -5.667 14.377 3.421 1.00 13.02 C ATOM 317 CG ARG A 55 -5.718 14.919 4.849 1.00 3.00 C ATOM 318 CD ARG A 55 -5.210 16.355 4.929 1.00 33.24 C ATOM 319 NE ARG A 55 -3.764 16.428 4.699 1.00 51.02 N ATOM 320 CZ ARG A 55 -2.957 17.238 5.331 1.00 14.23 C ATOM 321 NH1 ARG A 55 -3.422 18.107 6.175 1.00 71.43 N ATOM 322 NH2 ARG A 55 -1.683 17.182 5.107 1.00 22.40 N ATOM 0 H ARG A 55 -6.983 12.735 4.777 1.00 53.41 H new ATOM 0 HA ARG A 55 -5.571 12.524 2.308 1.00 0.33 H new ATOM 0 HB2 ARG A 55 -4.865 14.879 2.881 1.00 13.02 H new ATOM 0 HB3 ARG A 55 -6.599 14.628 2.914 1.00 13.02 H new ATOM 0 HG2 ARG A 55 -6.743 14.875 5.218 1.00 3.00 H new ATOM 0 HG3 ARG A 55 -5.117 14.284 5.500 1.00 3.00 H new ATOM 0 HD2 ARG A 55 -5.728 16.967 4.190 1.00 33.24 H new ATOM 0 HD3 ARG A 55 -5.445 16.771 5.909 1.00 33.24 H new ATOM 0 HE ARG A 55 -3.361 15.805 3.999 1.00 51.02 H new ATOM 0 HH11 ARG A 55 -4.425 18.162 6.350 1.00 71.43 H new ATOM 0 HH12 ARG A 55 -2.784 18.735 6.664 1.00 71.43 H new ATOM 0 HH21 ARG A 55 -1.312 16.507 4.439 1.00 22.40 H new ATOM 0 HH22 ARG A 55 -1.050 17.813 5.599 1.00 22.40 H new ATOM 336 N TYR A 56 -3.053 12.858 2.906 1.00 33.31 N ATOM 337 CA TYR A 56 -1.631 12.577 3.152 1.00 3.32 C ATOM 338 C TYR A 56 -1.011 13.583 4.138 1.00 33.04 C ATOM 339 O TYR A 56 -1.112 14.799 3.955 1.00 53.03 O ATOM 340 CB TYR A 56 -0.863 12.604 1.822 1.00 65.44 C ATOM 341 CG TYR A 56 0.587 12.147 1.913 1.00 11.14 C ATOM 342 CD1 TYR A 56 1.610 13.038 2.228 1.00 73.54 C ATOM 343 CD2 TYR A 56 0.929 10.820 1.672 1.00 4.15 C ATOM 344 CE1 TYR A 56 2.926 12.618 2.300 1.00 42.13 C ATOM 345 CE2 TYR A 56 2.243 10.395 1.741 1.00 30.34 C ATOM 346 CZ TYR A 56 3.236 11.297 2.055 1.00 75.42 C ATOM 347 OH TYR A 56 4.544 10.872 2.126 1.00 64.23 O ATOM 0 H TYR A 56 -3.236 13.326 2.018 1.00 33.31 H new ATOM 0 HA TYR A 56 -1.557 11.587 3.603 1.00 3.32 H new ATOM 0 HB2 TYR A 56 -1.385 11.971 1.104 1.00 65.44 H new ATOM 0 HB3 TYR A 56 -0.885 13.619 1.426 1.00 65.44 H new ATOM 0 HD1 TYR A 56 1.372 14.074 2.419 1.00 73.54 H new ATOM 0 HD2 TYR A 56 0.154 10.109 1.427 1.00 4.15 H new ATOM 0 HE1 TYR A 56 3.707 13.322 2.547 1.00 42.13 H new ATOM 0 HE2 TYR A 56 2.490 9.361 1.550 1.00 30.34 H new ATOM 0 HH TYR A 56 4.588 9.913 1.927 1.00 64.23 H new ATOM 357 N ARG A 57 -0.387 13.061 5.190 1.00 44.24 N ATOM 358 CA ARG A 57 0.370 13.876 6.147 1.00 53.42 C ATOM 359 C ARG A 57 1.680 13.166 6.528 1.00 12.34 C ATOM 360 O ARG A 57 1.671 12.217 7.313 1.00 13.35 O ATOM 361 CB ARG A 57 -0.470 14.147 7.401 1.00 1.15 C ATOM 362 CG ARG A 57 0.239 14.997 8.452 1.00 24.22 C ATOM 363 CD ARG A 57 -0.518 15.018 9.778 1.00 12.24 C ATOM 364 NE ARG A 57 -1.798 15.726 9.698 1.00 13.41 N ATOM 365 CZ ARG A 57 -2.287 16.462 10.662 1.00 63.14 C ATOM 366 NH1 ARG A 57 -1.612 16.668 11.745 1.00 13.34 N ATOM 367 NH2 ARG A 57 -3.448 17.010 10.536 1.00 3.31 N ATOM 0 H ARG A 57 -0.389 12.064 5.407 1.00 44.24 H new ATOM 0 HA ARG A 57 0.611 14.830 5.678 1.00 53.42 H new ATOM 0 HB2 ARG A 57 -1.393 14.647 7.107 1.00 1.15 H new ATOM 0 HB3 ARG A 57 -0.753 13.194 7.849 1.00 1.15 H new ATOM 0 HG2 ARG A 57 1.244 14.608 8.615 1.00 24.22 H new ATOM 0 HG3 ARG A 57 0.348 16.016 8.081 1.00 24.22 H new ATOM 0 HD2 ARG A 57 -0.696 13.993 10.104 1.00 12.24 H new ATOM 0 HD3 ARG A 57 0.105 15.490 10.538 1.00 12.24 H new ATOM 0 HE ARG A 57 -2.341 15.640 8.839 1.00 13.41 H new ATOM 0 HH11 ARG A 57 -0.686 16.254 11.855 1.00 13.34 H new ATOM 0 HH12 ARG A 57 -2.005 17.244 12.489 1.00 13.34 H new ATOM 0 HH21 ARG A 57 -3.988 16.870 9.682 1.00 3.31 H new ATOM 0 HH22 ARG A 57 -3.826 17.583 11.290 1.00 3.31 H new ATOM 381 N LEU A 58 2.800 13.619 5.963 1.00 2.14 N ATOM 382 CA LEU A 58 4.097 12.972 6.203 1.00 74.42 C ATOM 383 C LEU A 58 4.613 13.242 7.627 1.00 14.11 C ATOM 384 O LEU A 58 4.600 14.382 8.102 1.00 24.53 O ATOM 385 CB LEU A 58 5.129 13.446 5.169 1.00 41.12 C ATOM 386 CG LEU A 58 6.485 12.715 5.208 1.00 54.34 C ATOM 387 CD1 LEU A 58 6.298 11.212 4.995 1.00 51.21 C ATOM 388 CD2 LEU A 58 7.440 13.290 4.162 1.00 41.11 C ATOM 0 H LEU A 58 2.839 14.426 5.340 1.00 2.14 H new ATOM 0 HA LEU A 58 3.952 11.897 6.099 1.00 74.42 H new ATOM 0 HB2 LEU A 58 4.701 13.330 4.173 1.00 41.12 H new ATOM 0 HB3 LEU A 58 5.305 14.511 5.318 1.00 41.12 H new ATOM 0 HG LEU A 58 6.923 12.869 6.194 1.00 54.34 H new ATOM 0 HD11 LEU A 58 7.268 10.717 5.026 1.00 51.21 H new ATOM 0 HD12 LEU A 58 5.659 10.810 5.782 1.00 51.21 H new ATOM 0 HD13 LEU A 58 5.833 11.037 4.025 1.00 51.21 H new ATOM 0 HD21 LEU A 58 8.391 12.759 4.207 1.00 41.11 H new ATOM 0 HD22 LEU A 58 7.006 13.173 3.169 1.00 41.11 H new ATOM 0 HD23 LEU A 58 7.605 14.349 4.363 1.00 41.11 H new ATOM 400 N GLY A 59 5.054 12.188 8.313 1.00 20.35 N ATOM 401 CA GLY A 59 5.579 12.333 9.669 1.00 73.23 C ATOM 402 C GLY A 59 4.499 12.244 10.744 1.00 51.15 C ATOM 403 O GLY A 59 4.682 11.586 11.769 1.00 53.24 O ATOM 0 H GLY A 59 5.058 11.233 7.956 1.00 20.35 H new ATOM 0 HA2 GLY A 59 6.325 11.559 9.848 1.00 73.23 H new ATOM 0 HA3 GLY A 59 6.089 13.293 9.754 1.00 73.23 H new ATOM 407 N GLY A 60 3.373 12.916 10.517 1.00 42.43 N ATOM 408 CA GLY A 60 2.259 12.878 11.458 1.00 73.41 C ATOM 409 C GLY A 60 1.246 11.792 11.127 1.00 14.54 C ATOM 410 O GLY A 60 0.077 12.086 10.896 1.00 0.24 O ATOM 0 H GLY A 60 3.209 13.492 9.691 1.00 42.43 H new ATOM 0 HA2 GLY A 60 2.645 12.715 12.464 1.00 73.41 H new ATOM 0 HA3 GLY A 60 1.759 13.846 11.462 1.00 73.41 H new ATOM 414 N SER A 61 1.688 10.538 11.126 1.00 42.15 N ATOM 415 CA SER A 61 0.845 9.416 10.695 1.00 4.25 C ATOM 416 C SER A 61 -0.330 9.170 11.657 1.00 3.45 C ATOM 417 O SER A 61 -0.136 8.795 12.814 1.00 33.01 O ATOM 418 CB SER A 61 1.686 8.136 10.551 1.00 15.14 C ATOM 419 OG SER A 61 2.223 7.712 11.796 1.00 42.10 O ATOM 0 H SER A 61 2.627 10.268 11.419 1.00 42.15 H new ATOM 0 HA SER A 61 0.425 9.684 9.725 1.00 4.25 H new ATOM 0 HB2 SER A 61 1.069 7.341 10.132 1.00 15.14 H new ATOM 0 HB3 SER A 61 2.499 8.313 9.846 1.00 15.14 H new ATOM 0 HG SER A 61 2.886 7.006 11.643 1.00 42.10 H new ATOM 425 N THR A 62 -1.546 9.403 11.165 1.00 61.12 N ATOM 426 CA THR A 62 -2.781 9.183 11.939 1.00 64.45 C ATOM 427 C THR A 62 -4.009 9.169 11.018 1.00 74.30 C ATOM 428 O THR A 62 -3.910 9.489 9.836 1.00 61.20 O ATOM 429 CB THR A 62 -2.982 10.271 13.026 1.00 73.32 C ATOM 430 OG1 THR A 62 -4.283 10.149 13.627 1.00 21.45 O ATOM 431 CG2 THR A 62 -2.818 11.672 12.445 1.00 13.21 C ATOM 0 H THR A 62 -1.710 9.750 10.220 1.00 61.12 H new ATOM 0 HA THR A 62 -2.675 8.214 12.427 1.00 64.45 H new ATOM 0 HB THR A 62 -2.217 10.120 13.787 1.00 73.32 H new ATOM 0 HG1 THR A 62 -4.393 10.841 14.312 1.00 21.45 H new ATOM 0 HG21 THR A 62 -2.965 12.412 13.232 1.00 13.21 H new ATOM 0 HG22 THR A 62 -1.816 11.779 12.029 1.00 13.21 H new ATOM 0 HG23 THR A 62 -3.556 11.828 11.658 1.00 13.21 H new ATOM 439 N LYS A 63 -5.177 8.810 11.550 1.00 64.11 N ATOM 440 CA LYS A 63 -6.407 8.792 10.745 1.00 31.34 C ATOM 441 C LYS A 63 -6.861 10.219 10.384 1.00 4.14 C ATOM 442 O LYS A 63 -7.700 10.417 9.505 1.00 54.10 O ATOM 443 CB LYS A 63 -7.524 8.029 11.475 1.00 62.04 C ATOM 444 CG LYS A 63 -8.801 7.883 10.649 1.00 12.41 C ATOM 445 CD LYS A 63 -9.818 6.932 11.283 1.00 42.21 C ATOM 446 CE LYS A 63 -9.356 5.473 11.257 1.00 45.13 C ATOM 447 NZ LYS A 63 -8.449 5.140 12.386 1.00 51.15 N ATOM 0 H LYS A 63 -5.302 8.530 12.523 1.00 64.11 H new ATOM 0 HA LYS A 63 -6.189 8.269 9.814 1.00 31.34 H new ATOM 0 HB2 LYS A 63 -7.160 7.038 11.745 1.00 62.04 H new ATOM 0 HB3 LYS A 63 -7.759 8.547 12.405 1.00 62.04 H new ATOM 0 HG2 LYS A 63 -9.259 8.864 10.522 1.00 12.41 H new ATOM 0 HG3 LYS A 63 -8.544 7.520 9.654 1.00 12.41 H new ATOM 0 HD2 LYS A 63 -9.998 7.234 12.315 1.00 42.21 H new ATOM 0 HD3 LYS A 63 -10.768 7.018 10.756 1.00 42.21 H new ATOM 0 HE2 LYS A 63 -10.228 4.819 11.291 1.00 45.13 H new ATOM 0 HE3 LYS A 63 -8.845 5.274 10.315 1.00 45.13 H new ATOM 0 HZ1 LYS A 63 -7.490 4.970 12.022 1.00 51.15 H new ATOM 0 HZ2 LYS A 63 -8.428 5.932 13.060 1.00 51.15 H new ATOM 0 HZ3 LYS A 63 -8.793 4.285 12.867 1.00 51.15 H new ATOM 461 N LYS A 64 -6.293 11.212 11.067 1.00 43.11 N ATOM 462 CA LYS A 64 -6.541 12.625 10.744 1.00 32.54 C ATOM 463 C LYS A 64 -5.589 13.112 9.636 1.00 54.40 C ATOM 464 O LYS A 64 -5.610 14.282 9.252 1.00 32.13 O ATOM 465 CB LYS A 64 -6.365 13.507 11.994 1.00 0.00 C ATOM 466 CG LYS A 64 -7.473 13.370 13.042 1.00 32.03 C ATOM 467 CD LYS A 64 -7.534 11.973 13.663 1.00 20.14 C ATOM 468 CE LYS A 64 -8.523 11.919 14.821 1.00 32.34 C ATOM 469 NZ LYS A 64 -8.118 12.820 15.933 1.00 64.31 N ATOM 0 H LYS A 64 -5.656 11.068 11.850 1.00 43.11 H new ATOM 0 HA LYS A 64 -7.568 12.707 10.389 1.00 32.54 H new ATOM 0 HB2 LYS A 64 -5.411 13.263 12.461 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.309 14.549 11.680 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.314 14.106 13.830 1.00 32.03 H new ATOM 0 HG3 LYS A 64 -8.433 13.599 12.580 1.00 32.03 H new ATOM 0 HD2 LYS A 64 -7.823 11.248 12.902 1.00 20.14 H new ATOM 0 HD3 LYS A 64 -6.543 11.687 14.016 1.00 20.14 H new ATOM 0 HE2 LYS A 64 -9.514 12.201 14.466 1.00 32.34 H new ATOM 0 HE3 LYS A 64 -8.596 10.896 15.190 1.00 32.34 H new ATOM 0 HZ1 LYS A 64 -8.617 12.544 16.803 1.00 64.31 H new ATOM 0 HZ2 LYS A 64 -7.092 12.745 16.084 1.00 64.31 H new ATOM 0 HZ3 LYS A 64 -8.362 13.802 15.691 1.00 64.31 H new ATOM 483 N GLY A 65 -4.761 12.201 9.131 1.00 34.12 N ATOM 484 CA GLY A 65 -3.738 12.542 8.148 1.00 20.20 C ATOM 485 C GLY A 65 -2.542 11.605 8.251 1.00 63.31 C ATOM 486 O GLY A 65 -1.921 11.514 9.306 1.00 31.33 O ATOM 0 H GLY A 65 -4.780 11.214 9.389 1.00 34.12 H new ATOM 0 HA2 GLY A 65 -4.161 12.487 7.145 1.00 20.20 H new ATOM 0 HA3 GLY A 65 -3.412 13.571 8.301 1.00 20.20 H new ATOM 490 N ILE A 66 -2.210 10.902 7.173 1.00 62.43 N ATOM 491 CA ILE A 66 -1.175 9.864 7.246 1.00 50.22 C ATOM 492 C ILE A 66 -0.415 9.699 5.919 1.00 3.02 C ATOM 493 O ILE A 66 -0.896 10.100 4.858 1.00 62.42 O ATOM 494 CB ILE A 66 -1.814 8.507 7.650 1.00 71.50 C ATOM 495 CG1 ILE A 66 -0.742 7.452 7.958 1.00 74.52 C ATOM 496 CG2 ILE A 66 -2.762 8.011 6.555 1.00 64.43 C ATOM 497 CD1 ILE A 66 -1.304 6.171 8.539 1.00 4.50 C ATOM 0 H ILE A 66 -2.631 11.025 6.252 1.00 62.43 H new ATOM 0 HA ILE A 66 -0.455 10.180 8.001 1.00 50.22 H new ATOM 0 HB ILE A 66 -2.391 8.669 8.561 1.00 71.50 H new ATOM 0 HG12 ILE A 66 -0.199 7.219 7.042 1.00 74.52 H new ATOM 0 HG13 ILE A 66 -0.020 7.873 8.658 1.00 74.52 H new ATOM 0 HG21 ILE A 66 -3.200 7.059 6.856 1.00 64.43 H new ATOM 0 HG22 ILE A 66 -3.555 8.743 6.401 1.00 64.43 H new ATOM 0 HG23 ILE A 66 -2.207 7.877 5.626 1.00 64.43 H new ATOM 0 HD11 ILE A 66 -0.491 5.471 8.732 1.00 4.50 H new ATOM 0 HD12 ILE A 66 -1.822 6.391 9.472 1.00 4.50 H new ATOM 0 HD13 ILE A 66 -2.004 5.727 7.831 1.00 4.50 H new ATOM 509 N ASP A 67 0.787 9.133 5.996 1.00 23.13 N ATOM 510 CA ASP A 67 1.587 8.818 4.812 1.00 65.35 C ATOM 511 C ASP A 67 1.401 7.349 4.374 1.00 35.52 C ATOM 512 O ASP A 67 0.750 6.559 5.060 1.00 41.50 O ATOM 513 CB ASP A 67 3.060 9.103 5.106 1.00 42.14 C ATOM 514 CG ASP A 67 3.541 8.369 6.340 1.00 54.25 C ATOM 515 OD1 ASP A 67 3.293 8.860 7.462 1.00 0.35 O ATOM 516 OD2 ASP A 67 4.152 7.292 6.196 1.00 71.53 O ATOM 0 H ASP A 67 1.234 8.880 6.877 1.00 23.13 H new ATOM 0 HA ASP A 67 1.248 9.448 3.990 1.00 65.35 H new ATOM 0 HB2 ASP A 67 3.665 8.808 4.249 1.00 42.14 H new ATOM 0 HB3 ASP A 67 3.202 10.175 5.243 1.00 42.14 H new ATOM 521 N CYS A 68 1.997 6.989 3.235 1.00 71.02 N ATOM 522 CA CYS A 68 1.850 5.638 2.669 1.00 54.30 C ATOM 523 C CYS A 68 2.471 4.552 3.564 1.00 5.32 C ATOM 524 O CYS A 68 1.804 3.574 3.917 1.00 43.52 O ATOM 525 CB CYS A 68 2.471 5.577 1.266 1.00 43.34 C ATOM 526 SG CYS A 68 4.197 6.108 1.186 1.00 71.02 S ATOM 0 H CYS A 68 2.587 7.612 2.683 1.00 71.02 H new ATOM 0 HA CYS A 68 0.781 5.435 2.607 1.00 54.30 H new ATOM 0 HB2 CYS A 68 2.401 4.554 0.896 1.00 43.34 H new ATOM 0 HB3 CYS A 68 1.881 6.200 0.594 1.00 43.34 H new ATOM 0 HG CYS A 68 4.445 6.603 0.010 1.00 71.02 H new ATOM 532 N SER A 69 3.742 4.720 3.930 1.00 23.44 N ATOM 533 CA SER A 69 4.445 3.739 4.777 1.00 54.13 C ATOM 534 C SER A 69 3.747 3.544 6.131 1.00 43.04 C ATOM 535 O SER A 69 3.644 2.422 6.632 1.00 40.32 O ATOM 536 CB SER A 69 5.910 4.151 4.988 1.00 23.41 C ATOM 537 OG SER A 69 6.032 5.520 5.352 1.00 2.33 O ATOM 0 H SER A 69 4.310 5.522 3.657 1.00 23.44 H new ATOM 0 HA SER A 69 4.419 2.785 4.251 1.00 54.13 H new ATOM 0 HB2 SER A 69 6.353 3.528 5.765 1.00 23.41 H new ATOM 0 HB3 SER A 69 6.473 3.968 4.073 1.00 23.41 H new ATOM 0 HG SER A 69 5.151 5.874 5.594 1.00 2.33 H new ATOM 543 N GLY A 70 3.257 4.636 6.712 1.00 63.20 N ATOM 544 CA GLY A 70 2.513 4.552 7.964 1.00 20.41 C ATOM 545 C GLY A 70 1.175 3.830 7.811 1.00 64.01 C ATOM 546 O GLY A 70 0.744 3.083 8.702 1.00 72.41 O ATOM 0 H GLY A 70 3.360 5.580 6.340 1.00 63.20 H new ATOM 0 HA2 GLY A 70 3.118 4.032 8.707 1.00 20.41 H new ATOM 0 HA3 GLY A 70 2.336 5.558 8.344 1.00 20.41 H new ATOM 550 N PHE A 71 0.510 4.064 6.684 1.00 34.14 N ATOM 551 CA PHE A 71 -0.763 3.405 6.385 1.00 41.23 C ATOM 552 C PHE A 71 -0.591 1.885 6.265 1.00 42.21 C ATOM 553 O PHE A 71 -1.270 1.120 6.952 1.00 43.24 O ATOM 554 CB PHE A 71 -1.363 3.981 5.092 1.00 43.35 C ATOM 555 CG PHE A 71 -2.629 3.288 4.641 1.00 11.24 C ATOM 556 CD1 PHE A 71 -3.820 3.455 5.339 1.00 0.34 C ATOM 557 CD2 PHE A 71 -2.625 2.464 3.521 1.00 45.35 C ATOM 558 CE1 PHE A 71 -4.976 2.817 4.926 1.00 44.12 C ATOM 559 CE2 PHE A 71 -3.780 1.825 3.106 1.00 30.40 C ATOM 560 CZ PHE A 71 -4.955 2.002 3.809 1.00 21.31 C ATOM 0 H PHE A 71 0.830 4.706 5.959 1.00 34.14 H new ATOM 0 HA PHE A 71 -1.447 3.597 7.212 1.00 41.23 H new ATOM 0 HB2 PHE A 71 -1.574 5.040 5.241 1.00 43.35 H new ATOM 0 HB3 PHE A 71 -0.620 3.913 4.297 1.00 43.35 H new ATOM 0 HD1 PHE A 71 -3.843 4.089 6.213 1.00 0.34 H new ATOM 0 HD2 PHE A 71 -1.709 2.321 2.968 1.00 45.35 H new ATOM 0 HE1 PHE A 71 -5.895 2.955 5.476 1.00 44.12 H new ATOM 0 HE2 PHE A 71 -3.762 1.189 2.233 1.00 30.40 H new ATOM 0 HZ PHE A 71 -5.858 1.504 3.487 1.00 21.31 H new ATOM 570 N VAL A 72 0.333 1.451 5.408 1.00 74.22 N ATOM 571 CA VAL A 72 0.535 0.022 5.149 1.00 61.34 C ATOM 572 C VAL A 72 0.935 -0.752 6.423 1.00 43.40 C ATOM 573 O VAL A 72 0.402 -1.832 6.688 1.00 62.25 O ATOM 574 CB VAL A 72 1.587 -0.213 4.030 1.00 33.05 C ATOM 575 CG1 VAL A 72 2.967 0.293 4.441 1.00 63.53 C ATOM 576 CG2 VAL A 72 1.644 -1.687 3.644 1.00 31.41 C ATOM 0 H VAL A 72 0.953 2.066 4.881 1.00 74.22 H new ATOM 0 HA VAL A 72 -0.426 -0.365 4.810 1.00 61.34 H new ATOM 0 HB VAL A 72 1.274 0.360 3.158 1.00 33.05 H new ATOM 0 HG11 VAL A 72 3.676 0.112 3.634 1.00 63.53 H new ATOM 0 HG12 VAL A 72 2.916 1.362 4.646 1.00 63.53 H new ATOM 0 HG13 VAL A 72 3.295 -0.233 5.337 1.00 63.53 H new ATOM 0 HG21 VAL A 72 2.387 -1.829 2.859 1.00 31.41 H new ATOM 0 HG22 VAL A 72 1.919 -2.281 4.516 1.00 31.41 H new ATOM 0 HG23 VAL A 72 0.667 -2.006 3.281 1.00 31.41 H new ATOM 586 N GLN A 73 1.853 -0.196 7.222 1.00 14.42 N ATOM 587 CA GLN A 73 2.282 -0.859 8.463 1.00 23.22 C ATOM 588 C GLN A 73 1.093 -1.045 9.427 1.00 54.23 C ATOM 589 O GLN A 73 0.990 -2.061 10.117 1.00 13.35 O ATOM 590 CB GLN A 73 3.415 -0.075 9.155 1.00 50.11 C ATOM 591 CG GLN A 73 2.986 1.265 9.741 1.00 43.53 C ATOM 592 CD GLN A 73 4.105 1.982 10.487 1.00 60.30 C ATOM 593 OE1 GLN A 73 4.839 2.779 9.919 1.00 72.54 O ATOM 594 NE2 GLN A 73 4.247 1.702 11.767 1.00 55.11 N ATOM 0 H GLN A 73 2.308 0.698 7.037 1.00 14.42 H new ATOM 0 HA GLN A 73 2.667 -1.842 8.193 1.00 23.22 H new ATOM 0 HB2 GLN A 73 3.831 -0.690 9.953 1.00 50.11 H new ATOM 0 HB3 GLN A 73 4.215 0.097 8.434 1.00 50.11 H new ATOM 0 HG2 GLN A 73 2.625 1.907 8.937 1.00 43.53 H new ATOM 0 HG3 GLN A 73 2.149 1.105 10.421 1.00 43.53 H new ATOM 0 HE21 GLN A 73 3.621 1.033 12.215 1.00 55.11 H new ATOM 0 HE22 GLN A 73 4.983 2.154 12.309 1.00 55.11 H new ATOM 603 N ARG A 74 0.192 -0.059 9.462 1.00 31.10 N ATOM 604 CA ARG A 74 -1.017 -0.149 10.293 1.00 10.23 C ATOM 605 C ARG A 74 -2.005 -1.199 9.760 1.00 32.05 C ATOM 606 O ARG A 74 -2.469 -2.057 10.510 1.00 14.41 O ATOM 607 CB ARG A 74 -1.695 1.221 10.401 1.00 35.03 C ATOM 608 CG ARG A 74 -0.937 2.197 11.298 1.00 34.22 C ATOM 609 CD ARG A 74 -1.567 3.584 11.298 1.00 60.25 C ATOM 610 NE ARG A 74 -0.917 4.480 12.252 1.00 4.11 N ATOM 611 CZ ARG A 74 0.192 5.130 12.021 1.00 21.11 C ATOM 612 NH1 ARG A 74 0.836 4.975 10.906 1.00 20.41 N ATOM 613 NH2 ARG A 74 0.669 5.922 12.920 1.00 23.14 N ATOM 0 H ARG A 74 0.274 0.807 8.929 1.00 31.10 H new ATOM 0 HA ARG A 74 -0.707 -0.470 11.287 1.00 10.23 H new ATOM 0 HB2 ARG A 74 -1.790 1.652 9.404 1.00 35.03 H new ATOM 0 HB3 ARG A 74 -2.705 1.090 10.789 1.00 35.03 H new ATOM 0 HG2 ARG A 74 -0.915 1.810 12.317 1.00 34.22 H new ATOM 0 HG3 ARG A 74 0.097 2.269 10.962 1.00 34.22 H new ATOM 0 HD2 ARG A 74 -1.503 4.011 10.297 1.00 60.25 H new ATOM 0 HD3 ARG A 74 -2.626 3.501 11.542 1.00 60.25 H new ATOM 0 HE ARG A 74 -1.360 4.607 13.162 1.00 4.11 H new ATOM 0 HH11 ARG A 74 0.478 4.338 10.194 1.00 20.41 H new ATOM 0 HH12 ARG A 74 1.701 5.490 10.741 1.00 20.41 H new ATOM 0 HH21 ARG A 74 0.180 6.039 13.808 1.00 23.14 H new ATOM 0 HH22 ARG A 74 1.535 6.431 12.743 1.00 23.14 H new ATOM 627 N THR A 75 -2.317 -1.139 8.470 1.00 55.12 N ATOM 628 CA THR A 75 -3.248 -2.101 7.852 1.00 43.33 C ATOM 629 C THR A 75 -2.832 -3.552 8.136 1.00 10.35 C ATOM 630 O THR A 75 -3.643 -4.374 8.566 1.00 23.41 O ATOM 631 CB THR A 75 -3.347 -1.887 6.320 1.00 63.32 C ATOM 632 OG1 THR A 75 -3.794 -0.552 6.042 1.00 44.24 O ATOM 633 CG2 THR A 75 -4.304 -2.886 5.675 1.00 52.35 C ATOM 0 H THR A 75 -1.945 -0.440 7.827 1.00 55.12 H new ATOM 0 HA THR A 75 -4.225 -1.921 8.300 1.00 43.33 H new ATOM 0 HB THR A 75 -2.354 -2.043 5.898 1.00 63.32 H new ATOM 0 HG1 THR A 75 -3.091 0.086 6.285 1.00 44.24 H new ATOM 0 HG21 THR A 75 -4.348 -2.706 4.601 1.00 52.35 H new ATOM 0 HG22 THR A 75 -3.949 -3.900 5.859 1.00 52.35 H new ATOM 0 HG23 THR A 75 -5.299 -2.766 6.104 1.00 52.35 H new ATOM 641 N PHE A 76 -1.557 -3.856 7.925 1.00 63.33 N ATOM 642 CA PHE A 76 -1.046 -5.213 8.133 1.00 55.32 C ATOM 643 C PHE A 76 -1.005 -5.617 9.621 1.00 42.43 C ATOM 644 O PHE A 76 -1.271 -6.774 9.952 1.00 2.44 O ATOM 645 CB PHE A 76 0.337 -5.364 7.486 1.00 62.22 C ATOM 646 CG PHE A 76 0.271 -5.551 5.986 1.00 52.10 C ATOM 647 CD1 PHE A 76 -0.040 -4.489 5.148 1.00 61.32 C ATOM 648 CD2 PHE A 76 0.504 -6.796 5.416 1.00 11.35 C ATOM 649 CE1 PHE A 76 -0.114 -4.666 3.779 1.00 22.04 C ATOM 650 CE2 PHE A 76 0.432 -6.975 4.047 1.00 0.34 C ATOM 651 CZ PHE A 76 0.122 -5.909 3.229 1.00 40.31 C ATOM 0 H PHE A 76 -0.856 -3.185 7.610 1.00 63.33 H new ATOM 0 HA PHE A 76 -1.745 -5.896 7.649 1.00 55.32 H new ATOM 0 HB2 PHE A 76 0.935 -4.481 7.710 1.00 62.22 H new ATOM 0 HB3 PHE A 76 0.849 -6.217 7.931 1.00 62.22 H new ATOM 0 HD1 PHE A 76 -0.226 -3.513 5.571 1.00 61.32 H new ATOM 0 HD2 PHE A 76 0.745 -7.636 6.051 1.00 11.35 H new ATOM 0 HE1 PHE A 76 -0.357 -3.830 3.139 1.00 22.04 H new ATOM 0 HE2 PHE A 76 0.618 -7.949 3.619 1.00 0.34 H new ATOM 0 HZ PHE A 76 0.064 -6.047 2.159 1.00 40.31 H new ATOM 661 N ARG A 77 -0.687 -4.680 10.519 1.00 71.32 N ATOM 662 CA ARG A 77 -0.640 -4.995 11.958 1.00 63.33 C ATOM 663 C ARG A 77 -2.048 -5.285 12.511 1.00 25.34 C ATOM 664 O ARG A 77 -2.210 -6.087 13.430 1.00 55.13 O ATOM 665 CB ARG A 77 0.010 -3.859 12.767 1.00 62.42 C ATOM 666 CG ARG A 77 -0.902 -2.656 12.992 1.00 70.22 C ATOM 667 CD ARG A 77 -0.289 -1.641 13.945 1.00 32.13 C ATOM 668 NE ARG A 77 0.106 -2.247 15.218 1.00 44.50 N ATOM 669 CZ ARG A 77 -0.664 -2.330 16.274 1.00 33.24 C ATOM 670 NH1 ARG A 77 -1.909 -1.976 16.222 1.00 4.03 N ATOM 671 NH2 ARG A 77 -0.193 -2.822 17.371 1.00 15.14 N ATOM 0 H ARG A 77 -0.461 -3.713 10.286 1.00 71.32 H new ATOM 0 HA ARG A 77 -0.027 -5.890 12.065 1.00 63.33 H new ATOM 0 HB2 ARG A 77 0.324 -4.250 13.735 1.00 62.42 H new ATOM 0 HB3 ARG A 77 0.910 -3.528 12.250 1.00 62.42 H new ATOM 0 HG2 ARG A 77 -1.109 -2.175 12.036 1.00 70.22 H new ATOM 0 HG3 ARG A 77 -1.857 -2.996 13.391 1.00 70.22 H new ATOM 0 HD2 ARG A 77 0.583 -1.185 13.476 1.00 32.13 H new ATOM 0 HD3 ARG A 77 -1.006 -0.841 14.132 1.00 32.13 H new ATOM 0 HE ARG A 77 1.048 -2.632 15.287 1.00 44.50 H new ATOM 0 HH11 ARG A 77 -2.304 -1.626 15.349 1.00 4.03 H new ATOM 0 HH12 ARG A 77 -2.495 -2.047 17.054 1.00 4.03 H new ATOM 0 HH21 ARG A 77 0.774 -3.143 17.412 1.00 15.14 H new ATOM 0 HH22 ARG A 77 -0.788 -2.889 18.197 1.00 15.14 H new ATOM 685 N GLU A 78 -3.060 -4.627 11.946 1.00 44.05 N ATOM 686 CA GLU A 78 -4.449 -4.825 12.377 1.00 72.45 C ATOM 687 C GLU A 78 -5.001 -6.170 11.876 1.00 1.15 C ATOM 688 O GLU A 78 -5.343 -7.054 12.666 1.00 51.35 O ATOM 689 CB GLU A 78 -5.336 -3.679 11.861 1.00 71.44 C ATOM 690 CG GLU A 78 -4.912 -2.291 12.332 1.00 61.24 C ATOM 691 CD GLU A 78 -5.032 -2.107 13.837 1.00 42.34 C ATOM 692 OE1 GLU A 78 -6.163 -1.918 14.329 1.00 63.30 O ATOM 693 OE2 GLU A 78 -3.995 -2.141 14.532 1.00 23.34 O ATOM 0 H GLU A 78 -2.947 -3.952 11.189 1.00 44.05 H new ATOM 0 HA GLU A 78 -4.461 -4.831 13.467 1.00 72.45 H new ATOM 0 HB2 GLU A 78 -5.333 -3.696 10.771 1.00 71.44 H new ATOM 0 HB3 GLU A 78 -6.363 -3.859 12.179 1.00 71.44 H new ATOM 0 HG2 GLU A 78 -3.880 -2.112 12.032 1.00 61.24 H new ATOM 0 HG3 GLU A 78 -5.524 -1.541 11.831 1.00 61.24 H new ATOM 700 N GLN A 79 -5.065 -6.325 10.553 1.00 12.31 N ATOM 701 CA GLN A 79 -5.648 -7.525 9.936 1.00 74.14 C ATOM 702 C GLN A 79 -4.755 -8.769 10.093 1.00 1.00 C ATOM 703 O GLN A 79 -5.245 -9.854 10.408 1.00 55.42 O ATOM 704 CB GLN A 79 -5.920 -7.291 8.440 1.00 74.03 C ATOM 705 CG GLN A 79 -7.083 -6.351 8.126 1.00 72.53 C ATOM 706 CD GLN A 79 -6.864 -4.927 8.600 1.00 21.14 C ATOM 707 OE1 GLN A 79 -6.240 -4.129 7.920 1.00 14.21 O ATOM 708 NE2 GLN A 79 -7.408 -4.583 9.749 1.00 4.13 N ATOM 0 H GLN A 79 -4.721 -5.636 9.884 1.00 12.31 H new ATOM 0 HA GLN A 79 -6.583 -7.713 10.463 1.00 74.14 H new ATOM 0 HB2 GLN A 79 -5.016 -6.889 7.982 1.00 74.03 H new ATOM 0 HB3 GLN A 79 -6.115 -8.254 7.968 1.00 74.03 H new ATOM 0 HG2 GLN A 79 -7.252 -6.344 7.049 1.00 72.53 H new ATOM 0 HG3 GLN A 79 -7.989 -6.743 8.588 1.00 72.53 H new ATOM 0 HE21 GLN A 79 -7.924 -5.272 10.296 1.00 4.13 H new ATOM 0 HE22 GLN A 79 -7.313 -3.627 10.092 1.00 4.13 H new ATOM 717 N PHE A 80 -3.452 -8.616 9.855 1.00 15.23 N ATOM 718 CA PHE A 80 -2.534 -9.767 9.804 1.00 31.51 C ATOM 719 C PHE A 80 -1.552 -9.807 10.986 1.00 30.41 C ATOM 720 O PHE A 80 -0.762 -10.742 11.106 1.00 71.21 O ATOM 721 CB PHE A 80 -1.747 -9.740 8.484 1.00 2.11 C ATOM 722 CG PHE A 80 -2.629 -9.694 7.258 1.00 45.21 C ATOM 723 CD1 PHE A 80 -3.273 -10.837 6.806 1.00 22.44 C ATOM 724 CD2 PHE A 80 -2.814 -8.506 6.561 1.00 42.04 C ATOM 725 CE1 PHE A 80 -4.084 -10.798 5.688 1.00 12.42 C ATOM 726 CE2 PHE A 80 -3.623 -8.462 5.439 1.00 72.13 C ATOM 727 CZ PHE A 80 -4.259 -9.610 5.003 1.00 32.41 C ATOM 0 H PHE A 80 -3.005 -7.713 9.695 1.00 15.23 H new ATOM 0 HA PHE A 80 -3.148 -10.666 9.868 1.00 31.51 H new ATOM 0 HB2 PHE A 80 -1.088 -8.872 8.481 1.00 2.11 H new ATOM 0 HB3 PHE A 80 -1.111 -10.623 8.431 1.00 2.11 H new ATOM 0 HD1 PHE A 80 -3.139 -11.769 7.335 1.00 22.44 H new ATOM 0 HD2 PHE A 80 -2.321 -7.607 6.899 1.00 42.04 H new ATOM 0 HE1 PHE A 80 -4.581 -11.695 5.349 1.00 12.42 H new ATOM 0 HE2 PHE A 80 -3.757 -7.533 4.905 1.00 72.13 H new ATOM 0 HZ PHE A 80 -4.892 -9.578 4.128 1.00 32.41 H new ATOM 737 N GLY A 81 -1.589 -8.793 11.851 1.00 52.23 N ATOM 738 CA GLY A 81 -0.660 -8.736 12.979 1.00 60.35 C ATOM 739 C GLY A 81 0.801 -8.582 12.546 1.00 53.13 C ATOM 740 O GLY A 81 1.720 -8.911 13.295 1.00 11.33 O ATOM 0 H GLY A 81 -2.242 -8.011 11.794 1.00 52.23 H new ATOM 0 HA2 GLY A 81 -0.932 -7.900 13.624 1.00 60.35 H new ATOM 0 HA3 GLY A 81 -0.763 -9.644 13.573 1.00 60.35 H new ATOM 744 N LEU A 82 1.010 -8.069 11.335 1.00 63.51 N ATOM 745 CA LEU A 82 2.355 -7.922 10.768 1.00 61.43 C ATOM 746 C LEU A 82 2.912 -6.506 11.008 1.00 22.43 C ATOM 747 O LEU A 82 2.319 -5.513 10.582 1.00 64.50 O ATOM 748 CB LEU A 82 2.320 -8.229 9.266 1.00 13.52 C ATOM 749 CG LEU A 82 3.683 -8.202 8.553 1.00 31.34 C ATOM 750 CD1 LEU A 82 4.599 -9.300 9.083 1.00 33.32 C ATOM 751 CD2 LEU A 82 3.496 -8.344 7.049 1.00 75.14 C ATOM 0 H LEU A 82 0.262 -7.745 10.722 1.00 63.51 H new ATOM 0 HA LEU A 82 3.016 -8.630 11.268 1.00 61.43 H new ATOM 0 HB2 LEU A 82 1.875 -9.214 9.124 1.00 13.52 H new ATOM 0 HB3 LEU A 82 1.661 -7.509 8.781 1.00 13.52 H new ATOM 0 HG LEU A 82 4.155 -7.241 8.758 1.00 31.34 H new ATOM 0 HD11 LEU A 82 5.556 -9.259 8.562 1.00 33.32 H new ATOM 0 HD12 LEU A 82 4.761 -9.155 10.151 1.00 33.32 H new ATOM 0 HD13 LEU A 82 4.136 -10.272 8.915 1.00 33.32 H new ATOM 0 HD21 LEU A 82 4.469 -8.323 6.558 1.00 75.14 H new ATOM 0 HD22 LEU A 82 3.000 -9.290 6.832 1.00 75.14 H new ATOM 0 HD23 LEU A 82 2.885 -7.521 6.679 1.00 75.14 H new ATOM 763 N GLU A 83 4.057 -6.423 11.684 1.00 23.32 N ATOM 764 CA GLU A 83 4.654 -5.130 12.045 1.00 30.14 C ATOM 765 C GLU A 83 5.749 -4.709 11.049 1.00 21.53 C ATOM 766 O GLU A 83 6.825 -5.306 11.001 1.00 51.41 O ATOM 767 CB GLU A 83 5.248 -5.202 13.459 1.00 63.34 C ATOM 768 CG GLU A 83 4.263 -5.681 14.521 1.00 22.44 C ATOM 769 CD GLU A 83 4.873 -5.716 15.914 1.00 1.14 C ATOM 770 OE1 GLU A 83 5.574 -6.699 16.242 1.00 10.53 O ATOM 771 OE2 GLU A 83 4.658 -4.758 16.687 1.00 31.12 O ATOM 0 H GLU A 83 4.593 -7.234 11.994 1.00 23.32 H new ATOM 0 HA GLU A 83 3.862 -4.382 12.013 1.00 30.14 H new ATOM 0 HB2 GLU A 83 6.108 -5.871 13.447 1.00 63.34 H new ATOM 0 HB3 GLU A 83 5.616 -4.215 13.738 1.00 63.34 H new ATOM 0 HG2 GLU A 83 3.393 -5.024 14.526 1.00 22.44 H new ATOM 0 HG3 GLU A 83 3.909 -6.678 14.259 1.00 22.44 H new ATOM 778 N LEU A 84 5.469 -3.674 10.263 1.00 30.24 N ATOM 779 CA LEU A 84 6.449 -3.129 9.315 1.00 22.02 C ATOM 780 C LEU A 84 7.176 -1.905 9.906 1.00 31.21 C ATOM 781 O LEU A 84 6.633 -1.212 10.768 1.00 63.34 O ATOM 782 CB LEU A 84 5.749 -2.742 8.002 1.00 24.03 C ATOM 783 CG LEU A 84 5.066 -3.901 7.252 1.00 73.20 C ATOM 784 CD1 LEU A 84 4.400 -3.397 5.975 1.00 65.20 C ATOM 785 CD2 LEU A 84 6.070 -5.013 6.940 1.00 63.12 C ATOM 0 H LEU A 84 4.570 -3.191 10.260 1.00 30.24 H new ATOM 0 HA LEU A 84 7.193 -3.900 9.115 1.00 22.02 H new ATOM 0 HB2 LEU A 84 5.000 -1.981 8.220 1.00 24.03 H new ATOM 0 HB3 LEU A 84 6.484 -2.285 7.339 1.00 24.03 H new ATOM 0 HG LEU A 84 4.293 -4.316 7.898 1.00 73.20 H new ATOM 0 HD11 LEU A 84 3.923 -4.231 5.460 1.00 65.20 H new ATOM 0 HD12 LEU A 84 3.648 -2.649 6.227 1.00 65.20 H new ATOM 0 HD13 LEU A 84 5.152 -2.951 5.324 1.00 65.20 H new ATOM 0 HD21 LEU A 84 5.565 -5.821 6.410 1.00 63.12 H new ATOM 0 HD22 LEU A 84 6.871 -4.615 6.317 1.00 63.12 H new ATOM 0 HD23 LEU A 84 6.490 -5.396 7.870 1.00 63.12 H new ATOM 797 N PRO A 85 8.424 -1.633 9.467 1.00 41.43 N ATOM 798 CA PRO A 85 9.179 -0.445 9.913 1.00 63.14 C ATOM 799 C PRO A 85 8.464 0.882 9.582 1.00 3.52 C ATOM 800 O PRO A 85 7.425 0.896 8.919 1.00 2.51 O ATOM 801 CB PRO A 85 10.520 -0.557 9.168 1.00 2.22 C ATOM 802 CG PRO A 85 10.271 -1.517 8.049 1.00 0.35 C ATOM 803 CD PRO A 85 9.207 -2.461 8.534 1.00 33.20 C ATOM 0 HA PRO A 85 9.290 -0.426 10.997 1.00 63.14 H new ATOM 0 HB2 PRO A 85 10.842 0.413 8.790 1.00 2.22 H new ATOM 0 HB3 PRO A 85 11.308 -0.919 9.829 1.00 2.22 H new ATOM 0 HG2 PRO A 85 9.945 -0.992 7.151 1.00 0.35 H new ATOM 0 HG3 PRO A 85 11.182 -2.057 7.790 1.00 0.35 H new ATOM 0 HD2 PRO A 85 8.594 -2.833 7.713 1.00 33.20 H new ATOM 0 HD3 PRO A 85 9.636 -3.331 9.031 1.00 33.20 H new ATOM 811 N ARG A 86 9.040 1.997 10.032 1.00 73.13 N ATOM 812 CA ARG A 86 8.340 3.293 10.017 1.00 64.35 C ATOM 813 C ARG A 86 8.405 4.021 8.661 1.00 22.01 C ATOM 814 O ARG A 86 7.635 4.952 8.421 1.00 10.52 O ATOM 815 CB ARG A 86 8.906 4.194 11.126 1.00 13.40 C ATOM 816 CG ARG A 86 8.963 3.515 12.492 1.00 34.33 C ATOM 817 CD ARG A 86 7.602 2.970 12.917 1.00 2.00 C ATOM 818 NE ARG A 86 7.712 2.069 14.062 1.00 62.35 N ATOM 819 CZ ARG A 86 7.487 0.785 14.010 1.00 42.22 C ATOM 820 NH1 ARG A 86 7.100 0.225 12.908 1.00 14.10 N ATOM 821 NH2 ARG A 86 7.635 0.061 15.068 1.00 31.54 N ATOM 0 H ARG A 86 9.986 2.035 10.411 1.00 73.13 H new ATOM 0 HA ARG A 86 7.286 3.080 10.194 1.00 64.35 H new ATOM 0 HB2 ARG A 86 9.910 4.514 10.846 1.00 13.40 H new ATOM 0 HB3 ARG A 86 8.294 5.093 11.201 1.00 13.40 H new ATOM 0 HG2 ARG A 86 9.686 2.700 12.462 1.00 34.33 H new ATOM 0 HG3 ARG A 86 9.317 4.228 13.237 1.00 34.33 H new ATOM 0 HD2 ARG A 86 6.941 3.799 13.169 1.00 2.00 H new ATOM 0 HD3 ARG A 86 7.145 2.441 12.081 1.00 2.00 H new ATOM 0 HE ARG A 86 7.982 2.470 14.960 1.00 62.35 H new ATOM 0 HH11 ARG A 86 6.968 0.789 12.068 1.00 14.10 H new ATOM 0 HH12 ARG A 86 6.927 -0.780 12.880 1.00 14.10 H new ATOM 0 HH21 ARG A 86 7.928 0.493 15.945 1.00 31.54 H new ATOM 0 HH22 ARG A 86 7.459 -0.943 15.028 1.00 31.54 H new ATOM 835 N SER A 87 9.324 3.625 7.781 1.00 44.42 N ATOM 836 CA SER A 87 9.446 4.269 6.460 1.00 63.11 C ATOM 837 C SER A 87 9.493 3.240 5.325 1.00 51.14 C ATOM 838 O SER A 87 10.034 2.142 5.489 1.00 3.41 O ATOM 839 CB SER A 87 10.703 5.147 6.392 1.00 23.34 C ATOM 840 OG SER A 87 11.884 4.362 6.418 1.00 70.45 O ATOM 0 H SER A 87 9.990 2.871 7.949 1.00 44.42 H new ATOM 0 HA SER A 87 8.559 4.889 6.332 1.00 63.11 H new ATOM 0 HB2 SER A 87 10.682 5.745 5.481 1.00 23.34 H new ATOM 0 HB3 SER A 87 10.708 5.843 7.231 1.00 23.34 H new ATOM 0 HG SER A 87 11.998 3.972 7.310 1.00 70.45 H new ATOM 846 N THR A 88 8.939 3.611 4.167 1.00 64.41 N ATOM 847 CA THR A 88 8.924 2.737 2.984 1.00 51.24 C ATOM 848 C THR A 88 10.332 2.245 2.639 1.00 2.12 C ATOM 849 O THR A 88 10.526 1.080 2.290 1.00 73.33 O ATOM 850 CB THR A 88 8.341 3.463 1.746 1.00 10.40 C ATOM 851 OG1 THR A 88 7.049 4.003 2.053 1.00 2.32 O ATOM 852 CG2 THR A 88 8.226 2.521 0.551 1.00 25.15 C ATOM 0 H THR A 88 8.492 4.516 4.021 1.00 64.41 H new ATOM 0 HA THR A 88 8.290 1.887 3.236 1.00 51.24 H new ATOM 0 HB THR A 88 9.024 4.271 1.484 1.00 10.40 H new ATOM 0 HG1 THR A 88 6.690 4.461 1.265 1.00 2.32 H new ATOM 0 HG21 THR A 88 7.814 3.062 -0.301 1.00 25.15 H new ATOM 0 HG22 THR A 88 9.213 2.138 0.294 1.00 25.15 H new ATOM 0 HG23 THR A 88 7.569 1.689 0.805 1.00 25.15 H new ATOM 860 N TYR A 89 11.312 3.142 2.762 1.00 44.11 N ATOM 861 CA TYR A 89 12.715 2.816 2.475 1.00 50.33 C ATOM 862 C TYR A 89 13.141 1.525 3.192 1.00 31.15 C ATOM 863 O TYR A 89 13.797 0.659 2.610 1.00 64.20 O ATOM 864 CB TYR A 89 13.637 3.966 2.912 1.00 53.42 C ATOM 865 CG TYR A 89 13.194 5.340 2.445 1.00 12.41 C ATOM 866 CD1 TYR A 89 12.761 5.552 1.142 1.00 60.53 C ATOM 867 CD2 TYR A 89 13.203 6.426 3.318 1.00 22.22 C ATOM 868 CE1 TYR A 89 12.354 6.804 0.720 1.00 23.13 C ATOM 869 CE2 TYR A 89 12.797 7.678 2.903 1.00 2.23 C ATOM 870 CZ TYR A 89 12.374 7.863 1.605 1.00 71.43 C ATOM 871 OH TYR A 89 11.968 9.112 1.191 1.00 43.22 O ATOM 0 H TYR A 89 11.161 4.106 3.060 1.00 44.11 H new ATOM 0 HA TYR A 89 12.804 2.668 1.399 1.00 50.33 H new ATOM 0 HB2 TYR A 89 13.702 3.969 4.000 1.00 53.42 H new ATOM 0 HB3 TYR A 89 14.641 3.774 2.534 1.00 53.42 H new ATOM 0 HD1 TYR A 89 12.742 4.725 0.447 1.00 60.53 H new ATOM 0 HD2 TYR A 89 13.533 6.286 4.337 1.00 22.22 H new ATOM 0 HE1 TYR A 89 12.022 6.953 -0.297 1.00 23.13 H new ATOM 0 HE2 TYR A 89 12.811 8.509 3.593 1.00 2.23 H new ATOM 0 HH TYR A 89 12.043 9.744 1.936 1.00 43.22 H new ATOM 881 N GLU A 90 12.741 1.406 4.455 1.00 23.24 N ATOM 882 CA GLU A 90 13.066 0.239 5.280 1.00 14.42 C ATOM 883 C GLU A 90 12.154 -0.955 4.946 1.00 30.42 C ATOM 884 O GLU A 90 12.607 -2.098 4.872 1.00 73.44 O ATOM 885 CB GLU A 90 12.914 0.603 6.763 1.00 55.24 C ATOM 886 CG GLU A 90 13.658 1.870 7.161 1.00 2.33 C ATOM 887 CD GLU A 90 13.395 2.271 8.605 1.00 55.42 C ATOM 888 OE1 GLU A 90 12.297 2.805 8.890 1.00 53.01 O ATOM 889 OE2 GLU A 90 14.278 2.048 9.461 1.00 54.04 O ATOM 0 H GLU A 90 12.184 2.112 4.937 1.00 23.24 H new ATOM 0 HA GLU A 90 14.095 -0.051 5.070 1.00 14.42 H new ATOM 0 HB2 GLU A 90 11.855 0.727 6.991 1.00 55.24 H new ATOM 0 HB3 GLU A 90 13.276 -0.226 7.371 1.00 55.24 H new ATOM 0 HG2 GLU A 90 14.728 1.719 7.018 1.00 2.33 H new ATOM 0 HG3 GLU A 90 13.360 2.685 6.501 1.00 2.33 H new ATOM 896 N GLN A 91 10.865 -0.675 4.737 1.00 64.12 N ATOM 897 CA GLN A 91 9.862 -1.725 4.491 1.00 52.03 C ATOM 898 C GLN A 91 10.218 -2.595 3.273 1.00 43.23 C ATOM 899 O GLN A 91 9.896 -3.786 3.236 1.00 52.31 O ATOM 900 CB GLN A 91 8.469 -1.101 4.304 1.00 72.41 C ATOM 901 CG GLN A 91 8.010 -0.263 5.496 1.00 64.54 C ATOM 902 CD GLN A 91 6.644 0.375 5.295 1.00 73.04 C ATOM 903 OE1 GLN A 91 6.231 0.649 4.176 1.00 10.22 O ATOM 904 NE2 GLN A 91 5.944 0.644 6.382 1.00 22.10 N ATOM 0 H GLN A 91 10.486 0.272 4.732 1.00 64.12 H new ATOM 0 HA GLN A 91 9.854 -2.374 5.367 1.00 52.03 H new ATOM 0 HB2 GLN A 91 8.477 -0.475 3.412 1.00 72.41 H new ATOM 0 HB3 GLN A 91 7.744 -1.896 4.129 1.00 72.41 H new ATOM 0 HG2 GLN A 91 7.981 -0.894 6.385 1.00 64.54 H new ATOM 0 HG3 GLN A 91 8.744 0.520 5.685 1.00 64.54 H new ATOM 0 HE21 GLN A 91 6.316 0.403 7.301 1.00 22.10 H new ATOM 0 HE22 GLN A 91 5.031 1.093 6.303 1.00 22.10 H new ATOM 913 N GLN A 92 10.891 -1.996 2.287 1.00 1.43 N ATOM 914 CA GLN A 92 11.303 -2.718 1.071 1.00 12.24 C ATOM 915 C GLN A 92 12.202 -3.926 1.394 1.00 64.41 C ATOM 916 O GLN A 92 12.149 -4.948 0.709 1.00 1.44 O ATOM 917 CB GLN A 92 12.044 -1.774 0.109 1.00 50.00 C ATOM 918 CG GLN A 92 11.280 -0.494 -0.209 1.00 74.30 C ATOM 919 CD GLN A 92 11.994 0.393 -1.220 1.00 74.13 C ATOM 920 OE1 GLN A 92 11.752 0.313 -2.420 1.00 13.22 O ATOM 921 NE2 GLN A 92 12.891 1.230 -0.741 1.00 2.13 N ATOM 0 H GLN A 92 11.164 -1.013 2.303 1.00 1.43 H new ATOM 0 HA GLN A 92 10.394 -3.088 0.597 1.00 12.24 H new ATOM 0 HB2 GLN A 92 13.008 -1.512 0.544 1.00 50.00 H new ATOM 0 HB3 GLN A 92 12.247 -2.305 -0.821 1.00 50.00 H new ATOM 0 HG2 GLN A 92 10.294 -0.753 -0.595 1.00 74.30 H new ATOM 0 HG3 GLN A 92 11.125 0.068 0.712 1.00 74.30 H new ATOM 0 HE21 GLN A 92 13.067 1.270 0.263 1.00 2.13 H new ATOM 0 HE22 GLN A 92 13.410 1.838 -1.374 1.00 2.13 H new ATOM 930 N GLU A 93 13.021 -3.806 2.439 1.00 30.41 N ATOM 931 CA GLU A 93 13.962 -4.875 2.817 1.00 74.41 C ATOM 932 C GLU A 93 13.236 -6.098 3.408 1.00 13.51 C ATOM 933 O GLU A 93 13.740 -7.220 3.340 1.00 13.23 O ATOM 934 CB GLU A 93 14.978 -4.350 3.845 1.00 12.32 C ATOM 935 CG GLU A 93 15.769 -3.129 3.384 1.00 24.00 C ATOM 936 CD GLU A 93 16.811 -2.693 4.406 1.00 53.42 C ATOM 937 OE1 GLU A 93 16.426 -2.133 5.455 1.00 15.22 O ATOM 938 OE2 GLU A 93 18.021 -2.909 4.167 1.00 61.23 O ATOM 0 H GLU A 93 13.056 -2.983 3.041 1.00 30.41 H new ATOM 0 HA GLU A 93 14.476 -5.187 1.908 1.00 74.41 H new ATOM 0 HB2 GLU A 93 14.449 -4.099 4.765 1.00 12.32 H new ATOM 0 HB3 GLU A 93 15.677 -5.150 4.088 1.00 12.32 H new ATOM 0 HG2 GLU A 93 16.263 -3.355 2.439 1.00 24.00 H new ATOM 0 HG3 GLU A 93 15.082 -2.304 3.195 1.00 24.00 H new ATOM 945 N MET A 94 12.050 -5.873 3.970 1.00 24.33 N ATOM 946 CA MET A 94 11.310 -6.920 4.692 1.00 55.53 C ATOM 947 C MET A 94 10.779 -8.021 3.755 1.00 72.23 C ATOM 948 O MET A 94 10.877 -9.211 4.061 1.00 12.54 O ATOM 949 CB MET A 94 10.137 -6.294 5.461 1.00 31.32 C ATOM 950 CG MET A 94 10.552 -5.229 6.468 1.00 10.32 C ATOM 951 SD MET A 94 11.576 -5.885 7.802 1.00 42.33 S ATOM 952 CE MET A 94 10.439 -7.027 8.590 1.00 2.21 C ATOM 0 H MET A 94 11.574 -4.971 3.942 1.00 24.33 H new ATOM 0 HA MET A 94 12.010 -7.388 5.384 1.00 55.53 H new ATOM 0 HB2 MET A 94 9.442 -5.852 4.746 1.00 31.32 H new ATOM 0 HB3 MET A 94 9.597 -7.083 5.984 1.00 31.32 H new ATOM 0 HG2 MET A 94 11.099 -4.441 5.951 1.00 10.32 H new ATOM 0 HG3 MET A 94 9.659 -4.771 6.894 1.00 10.32 H new ATOM 0 HE1 MET A 94 10.797 -7.264 9.592 1.00 2.21 H new ATOM 0 HE2 MET A 94 9.452 -6.570 8.656 1.00 2.21 H new ATOM 0 HE3 MET A 94 10.376 -7.942 8.001 1.00 2.21 H new ATOM 962 N GLY A 95 10.218 -7.620 2.616 1.00 13.13 N ATOM 963 CA GLY A 95 9.541 -8.574 1.738 1.00 41.11 C ATOM 964 C GLY A 95 10.353 -8.988 0.517 1.00 53.33 C ATOM 965 O GLY A 95 11.288 -8.297 0.109 1.00 53.44 O ATOM 0 H GLY A 95 10.217 -6.656 2.282 1.00 13.13 H new ATOM 0 HA2 GLY A 95 9.292 -9.466 2.313 1.00 41.11 H new ATOM 0 HA3 GLY A 95 8.600 -8.137 1.403 1.00 41.11 H new ATOM 969 N LYS A 96 9.977 -10.124 -0.075 1.00 52.21 N ATOM 970 CA LYS A 96 10.642 -10.643 -1.278 1.00 41.11 C ATOM 971 C LYS A 96 9.964 -10.137 -2.559 1.00 4.53 C ATOM 972 O LYS A 96 8.747 -9.953 -2.598 1.00 71.14 O ATOM 973 CB LYS A 96 10.652 -12.177 -1.258 1.00 25.52 C ATOM 974 CG LYS A 96 11.476 -12.769 -0.122 1.00 14.22 C ATOM 975 CD LYS A 96 12.956 -12.413 -0.247 1.00 30.34 C ATOM 976 CE LYS A 96 13.772 -12.963 0.917 1.00 44.55 C ATOM 977 NZ LYS A 96 15.229 -12.734 0.735 1.00 52.34 N ATOM 0 H LYS A 96 9.210 -10.707 0.260 1.00 52.21 H new ATOM 0 HA LYS A 96 11.668 -10.276 -1.275 1.00 41.11 H new ATOM 0 HB2 LYS A 96 9.626 -12.537 -1.177 1.00 25.52 H new ATOM 0 HB3 LYS A 96 11.044 -12.541 -2.208 1.00 25.52 H new ATOM 0 HG2 LYS A 96 11.094 -12.405 0.832 1.00 14.22 H new ATOM 0 HG3 LYS A 96 11.362 -13.853 -0.118 1.00 14.22 H new ATOM 0 HD2 LYS A 96 13.347 -12.809 -1.184 1.00 30.34 H new ATOM 0 HD3 LYS A 96 13.067 -11.329 -0.288 1.00 30.34 H new ATOM 0 HE2 LYS A 96 13.444 -12.492 1.844 1.00 44.55 H new ATOM 0 HE3 LYS A 96 13.583 -14.032 1.019 1.00 44.55 H new ATOM 0 HZ1 LYS A 96 15.746 -13.123 1.549 1.00 52.34 H new ATOM 0 HZ2 LYS A 96 15.548 -13.205 -0.136 1.00 52.34 H new ATOM 0 HZ3 LYS A 96 15.414 -11.713 0.664 1.00 52.34 H new ATOM 991 N SER A 97 10.761 -9.944 -3.605 1.00 74.13 N ATOM 992 CA SER A 97 10.289 -9.312 -4.853 1.00 21.45 C ATOM 993 C SER A 97 9.435 -10.248 -5.725 1.00 1.55 C ATOM 994 O SER A 97 9.610 -11.465 -5.716 1.00 43.34 O ATOM 995 CB SER A 97 11.482 -8.808 -5.676 1.00 24.00 C ATOM 996 OG SER A 97 12.279 -7.900 -4.932 1.00 3.22 O ATOM 0 H SER A 97 11.744 -10.215 -3.622 1.00 74.13 H new ATOM 0 HA SER A 97 9.653 -8.480 -4.550 1.00 21.45 H new ATOM 0 HB2 SER A 97 12.091 -9.655 -5.992 1.00 24.00 H new ATOM 0 HB3 SER A 97 11.121 -8.320 -6.581 1.00 24.00 H new ATOM 0 HG SER A 97 12.212 -7.006 -5.328 1.00 3.22 H new ATOM 1002 N VAL A 98 8.514 -9.650 -6.486 1.00 72.23 N ATOM 1003 CA VAL A 98 7.674 -10.381 -7.449 1.00 41.55 C ATOM 1004 C VAL A 98 7.433 -9.563 -8.732 1.00 21.10 C ATOM 1005 O VAL A 98 7.188 -8.353 -8.683 1.00 4.53 O ATOM 1006 CB VAL A 98 6.296 -10.780 -6.848 1.00 20.30 C ATOM 1007 CG1 VAL A 98 6.388 -12.098 -6.084 1.00 63.51 C ATOM 1008 CG2 VAL A 98 5.753 -9.671 -5.948 1.00 34.12 C ATOM 0 H VAL A 98 8.327 -8.648 -6.455 1.00 72.23 H new ATOM 0 HA VAL A 98 8.228 -11.287 -7.693 1.00 41.55 H new ATOM 0 HB VAL A 98 5.601 -10.920 -7.676 1.00 20.30 H new ATOM 0 HG11 VAL A 98 5.410 -12.351 -5.675 1.00 63.51 H new ATOM 0 HG12 VAL A 98 6.714 -12.888 -6.760 1.00 63.51 H new ATOM 0 HG13 VAL A 98 7.106 -11.997 -5.270 1.00 63.51 H new ATOM 0 HG21 VAL A 98 4.789 -9.973 -5.540 1.00 34.12 H new ATOM 0 HG22 VAL A 98 6.452 -9.490 -5.132 1.00 34.12 H new ATOM 0 HG23 VAL A 98 5.630 -8.758 -6.530 1.00 34.12 H new ATOM 1018 N SER A 99 7.508 -10.239 -9.877 1.00 21.11 N ATOM 1019 CA SER A 99 7.256 -9.606 -11.181 1.00 64.13 C ATOM 1020 C SER A 99 5.750 -9.475 -11.471 1.00 70.44 C ATOM 1021 O SER A 99 4.914 -9.960 -10.709 1.00 71.13 O ATOM 1022 CB SER A 99 7.938 -10.404 -12.303 1.00 45.21 C ATOM 1023 OG SER A 99 7.692 -9.816 -13.571 1.00 11.44 O ATOM 0 H SER A 99 7.742 -11.230 -9.933 1.00 21.11 H new ATOM 0 HA SER A 99 7.678 -8.602 -11.143 1.00 64.13 H new ATOM 0 HB2 SER A 99 9.012 -10.448 -12.121 1.00 45.21 H new ATOM 0 HB3 SER A 99 7.572 -11.431 -12.298 1.00 45.21 H new ATOM 0 HG SER A 99 8.138 -10.342 -14.267 1.00 11.44 H new ATOM 1029 N ARG A 100 5.415 -8.842 -12.596 1.00 44.35 N ATOM 1030 CA ARG A 100 4.015 -8.549 -12.962 1.00 25.33 C ATOM 1031 C ARG A 100 3.124 -9.806 -12.964 1.00 3.32 C ATOM 1032 O ARG A 100 2.050 -9.818 -12.359 1.00 13.55 O ATOM 1033 CB ARG A 100 3.959 -7.859 -14.340 1.00 44.11 C ATOM 1034 CG ARG A 100 4.195 -6.350 -14.299 1.00 63.15 C ATOM 1035 CD ARG A 100 5.505 -5.981 -13.614 1.00 63.04 C ATOM 1036 NE ARG A 100 6.678 -6.510 -14.305 1.00 74.32 N ATOM 1037 CZ ARG A 100 7.865 -6.613 -13.762 1.00 32.41 C ATOM 1038 NH1 ARG A 100 8.057 -6.314 -12.516 1.00 31.32 N ATOM 1039 NH2 ARG A 100 8.863 -7.033 -14.464 1.00 4.12 N ATOM 0 H ARG A 100 6.097 -8.516 -13.281 1.00 44.35 H new ATOM 0 HA ARG A 100 3.621 -7.879 -12.198 1.00 25.33 H new ATOM 0 HB2 ARG A 100 4.705 -8.314 -14.991 1.00 44.11 H new ATOM 0 HB3 ARG A 100 2.985 -8.050 -14.789 1.00 44.11 H new ATOM 0 HG2 ARG A 100 4.198 -5.959 -15.316 1.00 63.15 H new ATOM 0 HG3 ARG A 100 3.368 -5.871 -13.776 1.00 63.15 H new ATOM 0 HD2 ARG A 100 5.584 -4.896 -13.554 1.00 63.04 H new ATOM 0 HD3 ARG A 100 5.492 -6.357 -12.591 1.00 63.04 H new ATOM 0 HE ARG A 100 6.565 -6.818 -15.271 1.00 74.32 H new ATOM 0 HH11 ARG A 100 7.277 -5.993 -11.943 1.00 31.32 H new ATOM 0 HH12 ARG A 100 8.988 -6.400 -12.109 1.00 31.32 H new ATOM 0 HH21 ARG A 100 8.728 -7.285 -15.443 1.00 4.12 H new ATOM 0 HH22 ARG A 100 9.787 -7.113 -14.040 1.00 4.12 H new ATOM 1053 N SER A 101 3.573 -10.858 -13.641 1.00 65.45 N ATOM 1054 CA SER A 101 2.797 -12.109 -13.739 1.00 54.14 C ATOM 1055 C SER A 101 2.738 -12.863 -12.401 1.00 52.41 C ATOM 1056 O SER A 101 1.913 -13.762 -12.225 1.00 3.25 O ATOM 1057 CB SER A 101 3.395 -13.028 -14.816 1.00 43.34 C ATOM 1058 OG SER A 101 3.413 -12.392 -16.084 1.00 0.13 O ATOM 0 H SER A 101 4.467 -10.879 -14.132 1.00 65.45 H new ATOM 0 HA SER A 101 1.780 -11.830 -14.013 1.00 54.14 H new ATOM 0 HB2 SER A 101 4.409 -13.310 -14.534 1.00 43.34 H new ATOM 0 HB3 SER A 101 2.813 -13.948 -14.876 1.00 43.34 H new ATOM 0 HG SER A 101 3.800 -12.999 -16.749 1.00 0.13 H new ATOM 1064 N ASN A 102 3.605 -12.488 -11.460 1.00 70.21 N ATOM 1065 CA ASN A 102 3.716 -13.185 -10.170 1.00 51.23 C ATOM 1066 C ASN A 102 3.022 -12.418 -9.030 1.00 41.53 C ATOM 1067 O ASN A 102 3.084 -12.828 -7.868 1.00 11.34 O ATOM 1068 CB ASN A 102 5.196 -13.409 -9.834 1.00 71.42 C ATOM 1069 CG ASN A 102 5.893 -14.265 -10.876 1.00 4.25 C ATOM 1070 OD1 ASN A 102 5.279 -15.124 -11.500 1.00 40.22 O ATOM 1071 ND2 ASN A 102 7.178 -14.042 -11.075 1.00 55.14 N ATOM 0 H ASN A 102 4.246 -11.701 -11.564 1.00 70.21 H new ATOM 0 HA ASN A 102 3.207 -14.144 -10.266 1.00 51.23 H new ATOM 0 HB2 ASN A 102 5.701 -12.446 -9.760 1.00 71.42 H new ATOM 0 HB3 ASN A 102 5.278 -13.888 -8.858 1.00 71.42 H new ATOM 0 HD21 ASN A 102 7.690 -14.592 -11.765 1.00 55.14 H new ATOM 0 HD22 ASN A 102 7.659 -13.320 -10.539 1.00 55.14 H new ATOM 1078 N LEU A 103 2.355 -11.314 -9.367 1.00 3.40 N ATOM 1079 CA LEU A 103 1.637 -10.502 -8.374 1.00 60.21 C ATOM 1080 C LEU A 103 0.376 -11.217 -7.864 1.00 14.43 C ATOM 1081 O LEU A 103 -0.360 -11.836 -8.638 1.00 32.24 O ATOM 1082 CB LEU A 103 1.242 -9.146 -8.978 1.00 21.30 C ATOM 1083 CG LEU A 103 2.408 -8.268 -9.463 1.00 11.11 C ATOM 1084 CD1 LEU A 103 1.897 -6.943 -10.023 1.00 3.20 C ATOM 1085 CD2 LEU A 103 3.407 -8.026 -8.336 1.00 54.44 C ATOM 0 H LEU A 103 2.295 -10.958 -10.321 1.00 3.40 H new ATOM 0 HA LEU A 103 2.311 -10.348 -7.531 1.00 60.21 H new ATOM 0 HB2 LEU A 103 0.572 -9.325 -9.819 1.00 21.30 H new ATOM 0 HB3 LEU A 103 0.676 -8.588 -8.232 1.00 21.30 H new ATOM 0 HG LEU A 103 2.919 -8.800 -10.265 1.00 11.11 H new ATOM 0 HD11 LEU A 103 2.741 -6.340 -10.359 1.00 3.20 H new ATOM 0 HD12 LEU A 103 1.231 -7.136 -10.864 1.00 3.20 H new ATOM 0 HD13 LEU A 103 1.354 -6.405 -9.246 1.00 3.20 H new ATOM 0 HD21 LEU A 103 4.223 -7.403 -8.701 1.00 54.44 H new ATOM 0 HD22 LEU A 103 2.907 -7.522 -7.509 1.00 54.44 H new ATOM 0 HD23 LEU A 103 3.805 -8.980 -7.992 1.00 54.44 H new ATOM 1097 N ARG A 104 0.128 -11.129 -6.560 1.00 0.54 N ATOM 1098 CA ARG A 104 -1.077 -11.702 -5.949 1.00 41.31 C ATOM 1099 C ARG A 104 -1.729 -10.700 -4.979 1.00 14.24 C ATOM 1100 O ARG A 104 -1.195 -9.617 -4.733 1.00 13.22 O ATOM 1101 CB ARG A 104 -0.733 -13.010 -5.214 1.00 53.41 C ATOM 1102 CG ARG A 104 -0.199 -14.111 -6.130 1.00 14.35 C ATOM 1103 CD ARG A 104 0.144 -15.379 -5.356 1.00 12.23 C ATOM 1104 NE ARG A 104 -1.025 -15.970 -4.705 1.00 53.33 N ATOM 1105 CZ ARG A 104 -0.966 -16.922 -3.813 1.00 41.01 C ATOM 1106 NH1 ARG A 104 0.174 -17.429 -3.464 1.00 62.45 N ATOM 1107 NH2 ARG A 104 -2.054 -17.376 -3.281 1.00 42.13 N ATOM 0 H ARG A 104 0.749 -10.663 -5.898 1.00 0.54 H new ATOM 0 HA ARG A 104 -1.790 -11.922 -6.743 1.00 41.31 H new ATOM 0 HB2 ARG A 104 0.009 -12.799 -4.444 1.00 53.41 H new ATOM 0 HB3 ARG A 104 -1.625 -13.375 -4.705 1.00 53.41 H new ATOM 0 HG2 ARG A 104 -0.943 -14.341 -6.892 1.00 14.35 H new ATOM 0 HG3 ARG A 104 0.689 -13.752 -6.650 1.00 14.35 H new ATOM 0 HD2 ARG A 104 0.585 -16.108 -6.036 1.00 12.23 H new ATOM 0 HD3 ARG A 104 0.898 -15.149 -4.603 1.00 12.23 H new ATOM 0 HE ARG A 104 -1.946 -15.616 -4.964 1.00 53.33 H new ATOM 0 HH11 ARG A 104 1.036 -17.085 -3.887 1.00 62.45 H new ATOM 0 HH12 ARG A 104 0.209 -18.172 -2.766 1.00 62.45 H new ATOM 0 HH21 ARG A 104 -2.957 -16.991 -3.558 1.00 42.13 H new ATOM 0 HH22 ARG A 104 -2.009 -18.120 -2.584 1.00 42.13 H new ATOM 1121 N THR A 105 -2.893 -11.056 -4.445 1.00 11.21 N ATOM 1122 CA THR A 105 -3.608 -10.180 -3.509 1.00 21.45 C ATOM 1123 C THR A 105 -2.900 -10.118 -2.148 1.00 30.20 C ATOM 1124 O THR A 105 -2.986 -11.054 -1.351 1.00 54.12 O ATOM 1125 CB THR A 105 -5.069 -10.648 -3.292 1.00 63.33 C ATOM 1126 OG1 THR A 105 -5.730 -10.820 -4.558 1.00 30.21 O ATOM 1127 CG2 THR A 105 -5.849 -9.642 -2.452 1.00 60.53 C ATOM 0 H THR A 105 -3.364 -11.940 -4.640 1.00 11.21 H new ATOM 0 HA THR A 105 -3.614 -9.187 -3.959 1.00 21.45 H new ATOM 0 HB THR A 105 -5.037 -11.600 -2.762 1.00 63.33 H new ATOM 0 HG1 THR A 105 -6.019 -9.947 -4.897 1.00 30.21 H new ATOM 0 HG21 THR A 105 -6.871 -9.996 -2.316 1.00 60.53 H new ATOM 0 HG22 THR A 105 -5.370 -9.532 -1.479 1.00 60.53 H new ATOM 0 HG23 THR A 105 -5.864 -8.678 -2.960 1.00 60.53 H new ATOM 1135 N GLY A 106 -2.198 -9.016 -1.889 1.00 53.13 N ATOM 1136 CA GLY A 106 -1.478 -8.853 -0.625 1.00 34.14 C ATOM 1137 C GLY A 106 -0.046 -8.353 -0.801 1.00 30.42 C ATOM 1138 O GLY A 106 0.602 -7.956 0.170 1.00 53.12 O ATOM 0 H GLY A 106 -2.112 -8.228 -2.531 1.00 53.13 H new ATOM 0 HA2 GLY A 106 -2.024 -8.153 0.007 1.00 34.14 H new ATOM 0 HA3 GLY A 106 -1.459 -9.808 -0.101 1.00 34.14 H new ATOM 1142 N ASP A 107 0.455 -8.384 -2.034 1.00 23.11 N ATOM 1143 CA ASP A 107 1.801 -7.887 -2.338 1.00 55.34 C ATOM 1144 C ASP A 107 1.872 -6.351 -2.248 1.00 11.31 C ATOM 1145 O ASP A 107 0.902 -5.647 -2.543 1.00 2.00 O ATOM 1146 CB ASP A 107 2.239 -8.350 -3.733 1.00 62.43 C ATOM 1147 CG ASP A 107 2.460 -9.851 -3.802 1.00 64.33 C ATOM 1148 OD1 ASP A 107 1.495 -10.595 -4.068 1.00 11.14 O ATOM 1149 OD2 ASP A 107 3.604 -10.296 -3.588 1.00 44.12 O ATOM 0 H ASP A 107 -0.050 -8.748 -2.842 1.00 23.11 H new ATOM 0 HA ASP A 107 2.480 -8.300 -1.592 1.00 55.34 H new ATOM 0 HB2 ASP A 107 1.482 -8.063 -4.462 1.00 62.43 H new ATOM 0 HB3 ASP A 107 3.160 -7.837 -4.011 1.00 62.43 H new ATOM 1154 N LEU A 108 3.029 -5.836 -1.837 1.00 1.04 N ATOM 1155 CA LEU A 108 3.244 -4.390 -1.749 1.00 1.01 C ATOM 1156 C LEU A 108 3.897 -3.859 -3.029 1.00 61.23 C ATOM 1157 O LEU A 108 4.972 -4.312 -3.421 1.00 34.42 O ATOM 1158 CB LEU A 108 4.127 -4.052 -0.539 1.00 31.12 C ATOM 1159 CG LEU A 108 3.569 -4.483 0.824 1.00 62.34 C ATOM 1160 CD1 LEU A 108 4.473 -3.991 1.953 1.00 52.54 C ATOM 1161 CD2 LEU A 108 2.142 -3.972 1.008 1.00 12.33 C ATOM 0 H LEU A 108 3.834 -6.398 -1.559 1.00 1.04 H new ATOM 0 HA LEU A 108 2.272 -3.912 -1.627 1.00 1.01 H new ATOM 0 HB2 LEU A 108 5.101 -4.521 -0.679 1.00 31.12 H new ATOM 0 HB3 LEU A 108 4.292 -2.975 -0.521 1.00 31.12 H new ATOM 0 HG LEU A 108 3.545 -5.572 0.857 1.00 62.34 H new ATOM 0 HD11 LEU A 108 4.062 -4.306 2.912 1.00 52.54 H new ATOM 0 HD12 LEU A 108 5.471 -4.412 1.830 1.00 52.54 H new ATOM 0 HD13 LEU A 108 4.533 -2.903 1.923 1.00 52.54 H new ATOM 0 HD21 LEU A 108 1.765 -4.288 1.980 1.00 12.33 H new ATOM 0 HD22 LEU A 108 2.135 -2.883 0.953 1.00 12.33 H new ATOM 0 HD23 LEU A 108 1.506 -4.379 0.222 1.00 12.33 H new ATOM 1173 N VAL A 109 3.252 -2.897 -3.674 1.00 54.54 N ATOM 1174 CA VAL A 109 3.775 -2.321 -4.916 1.00 14.30 C ATOM 1175 C VAL A 109 4.558 -1.024 -4.643 1.00 31.52 C ATOM 1176 O VAL A 109 4.005 -0.032 -4.164 1.00 21.23 O ATOM 1177 CB VAL A 109 2.644 -2.066 -5.949 1.00 3.40 C ATOM 1178 CG1 VAL A 109 2.176 -3.383 -6.567 1.00 70.32 C ATOM 1179 CG2 VAL A 109 1.467 -1.335 -5.305 1.00 53.25 C ATOM 0 H VAL A 109 2.367 -2.496 -3.363 1.00 54.54 H new ATOM 0 HA VAL A 109 4.461 -3.052 -5.344 1.00 14.30 H new ATOM 0 HB VAL A 109 3.047 -1.432 -6.739 1.00 3.40 H new ATOM 0 HG11 VAL A 109 1.383 -3.185 -7.288 1.00 70.32 H new ATOM 0 HG12 VAL A 109 3.013 -3.866 -7.071 1.00 70.32 H new ATOM 0 HG13 VAL A 109 1.797 -4.039 -5.783 1.00 70.32 H new ATOM 0 HG21 VAL A 109 0.690 -1.169 -6.051 1.00 53.25 H new ATOM 0 HG22 VAL A 109 1.066 -1.938 -4.490 1.00 53.25 H new ATOM 0 HG23 VAL A 109 1.805 -0.375 -4.914 1.00 53.25 H new ATOM 1189 N LEU A 110 5.858 -1.062 -4.941 1.00 50.34 N ATOM 1190 CA LEU A 110 6.767 0.061 -4.679 1.00 65.31 C ATOM 1191 C LEU A 110 6.878 0.989 -5.899 1.00 24.24 C ATOM 1192 O LEU A 110 7.269 0.559 -6.990 1.00 23.42 O ATOM 1193 CB LEU A 110 8.156 -0.482 -4.312 1.00 71.01 C ATOM 1194 CG LEU A 110 8.181 -1.471 -3.132 1.00 43.43 C ATOM 1195 CD1 LEU A 110 9.566 -2.095 -2.974 1.00 3.23 C ATOM 1196 CD2 LEU A 110 7.748 -0.779 -1.841 1.00 14.20 C ATOM 0 H LEU A 110 6.312 -1.869 -5.370 1.00 50.34 H new ATOM 0 HA LEU A 110 6.363 0.642 -3.850 1.00 65.31 H new ATOM 0 HB2 LEU A 110 8.579 -0.975 -5.187 1.00 71.01 H new ATOM 0 HB3 LEU A 110 8.807 0.360 -4.074 1.00 71.01 H new ATOM 0 HG LEU A 110 7.473 -2.272 -3.345 1.00 43.43 H new ATOM 0 HD11 LEU A 110 9.558 -2.790 -2.134 1.00 3.23 H new ATOM 0 HD12 LEU A 110 9.830 -2.631 -3.886 1.00 3.23 H new ATOM 0 HD13 LEU A 110 10.300 -1.310 -2.789 1.00 3.23 H new ATOM 0 HD21 LEU A 110 7.772 -1.494 -1.019 1.00 14.20 H new ATOM 0 HD22 LEU A 110 8.427 0.046 -1.625 1.00 14.20 H new ATOM 0 HD23 LEU A 110 6.735 -0.394 -1.957 1.00 14.20 H new ATOM 1208 N PHE A 111 6.545 2.260 -5.709 1.00 71.43 N ATOM 1209 CA PHE A 111 6.596 3.247 -6.792 1.00 41.22 C ATOM 1210 C PHE A 111 7.656 4.325 -6.543 1.00 43.33 C ATOM 1211 O PHE A 111 8.186 4.466 -5.441 1.00 51.04 O ATOM 1212 CB PHE A 111 5.232 3.926 -6.965 1.00 61.25 C ATOM 1213 CG PHE A 111 4.113 2.966 -7.254 1.00 64.33 C ATOM 1214 CD1 PHE A 111 3.942 2.443 -8.526 1.00 4.42 C ATOM 1215 CD2 PHE A 111 3.239 2.577 -6.252 1.00 24.32 C ATOM 1216 CE1 PHE A 111 2.922 1.553 -8.791 1.00 52.11 C ATOM 1217 CE2 PHE A 111 2.220 1.688 -6.513 1.00 2.14 C ATOM 1218 CZ PHE A 111 2.061 1.175 -7.785 1.00 5.21 C ATOM 0 H PHE A 111 6.235 2.637 -4.813 1.00 71.43 H new ATOM 0 HA PHE A 111 6.863 2.703 -7.698 1.00 41.22 H new ATOM 0 HB2 PHE A 111 4.996 4.484 -6.059 1.00 61.25 H new ATOM 0 HB3 PHE A 111 5.297 4.650 -7.777 1.00 61.25 H new ATOM 0 HD1 PHE A 111 4.615 2.736 -9.319 1.00 4.42 H new ATOM 0 HD2 PHE A 111 3.358 2.975 -5.255 1.00 24.32 H new ATOM 0 HE1 PHE A 111 2.799 1.153 -9.787 1.00 52.11 H new ATOM 0 HE2 PHE A 111 1.546 1.392 -5.723 1.00 2.14 H new ATOM 0 HZ PHE A 111 1.262 0.478 -7.991 1.00 5.21 H new ATOM 1228 N ARG A 112 7.954 5.079 -7.592 1.00 53.30 N ATOM 1229 CA ARG A 112 8.815 6.257 -7.498 1.00 30.21 C ATOM 1230 C ARG A 112 7.951 7.529 -7.547 1.00 62.20 C ATOM 1231 O ARG A 112 7.393 7.864 -8.589 1.00 73.21 O ATOM 1232 CB ARG A 112 9.831 6.243 -8.649 1.00 54.22 C ATOM 1233 CG ARG A 112 10.765 5.033 -8.611 1.00 15.04 C ATOM 1234 CD ARG A 112 11.444 4.787 -9.955 1.00 32.25 C ATOM 1235 NE ARG A 112 12.220 5.938 -10.413 1.00 1.30 N ATOM 1236 CZ ARG A 112 12.631 6.098 -11.642 1.00 61.43 C ATOM 1237 NH1 ARG A 112 12.362 5.213 -12.549 1.00 54.05 N ATOM 1238 NH2 ARG A 112 13.321 7.143 -11.961 1.00 52.43 N ATOM 0 H ARG A 112 7.607 4.894 -8.533 1.00 53.30 H new ATOM 0 HA ARG A 112 9.360 6.244 -6.554 1.00 30.21 H new ATOM 0 HB2 ARG A 112 9.295 6.251 -9.598 1.00 54.22 H new ATOM 0 HB3 ARG A 112 10.426 7.155 -8.611 1.00 54.22 H new ATOM 0 HG2 ARG A 112 11.525 5.187 -7.845 1.00 15.04 H new ATOM 0 HG3 ARG A 112 10.198 4.147 -8.325 1.00 15.04 H new ATOM 0 HD2 ARG A 112 12.100 3.921 -9.873 1.00 32.25 H new ATOM 0 HD3 ARG A 112 10.687 4.544 -10.701 1.00 32.25 H new ATOM 0 HE ARG A 112 12.455 6.660 -9.731 1.00 1.30 H new ATOM 0 HH11 ARG A 112 11.824 4.381 -12.306 1.00 54.05 H new ATOM 0 HH12 ARG A 112 12.688 5.348 -13.506 1.00 54.05 H new ATOM 0 HH21 ARG A 112 13.544 7.842 -11.253 1.00 52.43 H new ATOM 0 HH22 ARG A 112 13.642 7.268 -12.921 1.00 52.43 H new ATOM 1252 N ALA A 113 7.844 8.238 -6.429 1.00 3.44 N ATOM 1253 CA ALA A 113 6.912 9.372 -6.334 1.00 63.45 C ATOM 1254 C ALA A 113 7.586 10.691 -6.729 1.00 31.04 C ATOM 1255 O ALA A 113 8.609 11.075 -6.155 1.00 52.34 O ATOM 1256 CB ALA A 113 6.341 9.470 -4.927 1.00 42.34 C ATOM 0 H ALA A 113 8.381 8.056 -5.581 1.00 3.44 H new ATOM 0 HA ALA A 113 6.098 9.193 -7.036 1.00 63.45 H new ATOM 0 HB1 ALA A 113 5.653 10.314 -4.871 1.00 42.34 H new ATOM 0 HB2 ALA A 113 5.808 8.550 -4.686 1.00 42.34 H new ATOM 0 HB3 ALA A 113 7.153 9.616 -4.214 1.00 42.34 H new ATOM 1301 N ARG A 118 10.593 6.799 -2.467 1.00 55.44 N ATOM 1302 CA ARG A 118 9.959 5.474 -2.526 1.00 0.25 C ATOM 1303 C ARG A 118 8.536 5.503 -1.944 1.00 64.52 C ATOM 1304 O ARG A 118 8.329 5.871 -0.788 1.00 32.23 O ATOM 1305 CB ARG A 118 10.812 4.451 -1.761 1.00 50.03 C ATOM 1306 CG ARG A 118 12.189 4.202 -2.374 1.00 74.34 C ATOM 1307 CD ARG A 118 12.097 3.471 -3.713 1.00 22.25 C ATOM 1308 NE ARG A 118 13.424 3.193 -4.271 1.00 62.31 N ATOM 1309 CZ ARG A 118 13.831 2.014 -4.667 1.00 31.51 C ATOM 1310 NH1 ARG A 118 13.091 0.964 -4.510 1.00 31.35 N ATOM 1311 NH2 ARG A 118 15.002 1.877 -5.191 1.00 71.31 N ATOM 0 HA ARG A 118 9.889 5.183 -3.574 1.00 0.25 H new ATOM 0 HB2 ARG A 118 10.940 4.796 -0.735 1.00 50.03 H new ATOM 0 HB3 ARG A 118 10.271 3.506 -1.714 1.00 50.03 H new ATOM 0 HG2 ARG A 118 12.700 5.154 -2.515 1.00 74.34 H new ATOM 0 HG3 ARG A 118 12.793 3.616 -1.682 1.00 74.34 H new ATOM 0 HD2 ARG A 118 11.555 2.535 -3.580 1.00 22.25 H new ATOM 0 HD3 ARG A 118 11.525 4.074 -4.418 1.00 22.25 H new ATOM 0 HE ARG A 118 14.076 3.973 -4.357 1.00 62.31 H new ATOM 0 HH11 ARG A 118 12.174 1.047 -4.071 1.00 31.35 H new ATOM 0 HH12 ARG A 118 13.425 0.053 -4.825 1.00 31.35 H new ATOM 0 HH21 ARG A 118 15.611 2.688 -5.297 1.00 71.31 H new ATOM 0 HH22 ARG A 118 15.318 0.958 -5.499 1.00 71.31 H new ATOM 1325 N HIS A 119 7.564 5.102 -2.757 1.00 20.53 N ATOM 1326 CA HIS A 119 6.158 5.037 -2.345 1.00 34.42 C ATOM 1327 C HIS A 119 5.684 3.573 -2.311 1.00 4.41 C ATOM 1328 O HIS A 119 6.257 2.720 -2.987 1.00 70.44 O ATOM 1329 CB HIS A 119 5.304 5.861 -3.322 1.00 41.32 C ATOM 1330 CG HIS A 119 3.874 6.026 -2.905 1.00 2.54 C ATOM 1331 ND1 HIS A 119 3.493 7.024 -2.043 1.00 32.25 N ATOM 1332 CD2 HIS A 119 2.779 5.317 -3.268 1.00 2.13 C ATOM 1333 CE1 HIS A 119 2.187 6.905 -1.906 1.00 71.13 C ATOM 1334 NE2 HIS A 119 1.709 5.885 -2.627 1.00 12.11 N ATOM 0 H HIS A 119 7.725 4.812 -3.722 1.00 20.53 H new ATOM 0 HA HIS A 119 6.051 5.452 -1.343 1.00 34.42 H new ATOM 0 HB2 HIS A 119 5.753 6.848 -3.435 1.00 41.32 H new ATOM 0 HB3 HIS A 119 5.332 5.384 -4.302 1.00 41.32 H new ATOM 0 HD2 HIS A 119 2.754 4.467 -3.934 1.00 2.13 H new ATOM 0 HE1 HIS A 119 1.579 7.550 -1.289 1.00 71.13 H new ATOM 0 HE2 HIS A 119 0.735 5.587 -2.688 1.00 12.11 H new ATOM 1342 N VAL A 120 4.647 3.277 -1.527 1.00 31.22 N ATOM 1343 CA VAL A 120 4.146 1.898 -1.418 1.00 61.31 C ATOM 1344 C VAL A 120 2.609 1.838 -1.376 1.00 21.20 C ATOM 1345 O VAL A 120 1.952 2.647 -0.715 1.00 34.24 O ATOM 1346 CB VAL A 120 4.723 1.181 -0.168 1.00 53.21 C ATOM 1347 CG1 VAL A 120 4.283 1.876 1.120 1.00 31.44 C ATOM 1348 CG2 VAL A 120 4.325 -0.298 -0.151 1.00 51.33 C ATOM 0 H VAL A 120 4.140 3.960 -0.963 1.00 31.22 H new ATOM 0 HA VAL A 120 4.485 1.381 -2.316 1.00 61.31 H new ATOM 0 HB VAL A 120 5.810 1.239 -0.225 1.00 53.21 H new ATOM 0 HG11 VAL A 120 4.703 1.351 1.978 1.00 31.44 H new ATOM 0 HG12 VAL A 120 4.637 2.907 1.116 1.00 31.44 H new ATOM 0 HG13 VAL A 120 3.195 1.866 1.185 1.00 31.44 H new ATOM 0 HG21 VAL A 120 4.742 -0.777 0.735 1.00 51.33 H new ATOM 0 HG22 VAL A 120 3.238 -0.382 -0.131 1.00 51.33 H new ATOM 0 HG23 VAL A 120 4.711 -0.789 -1.044 1.00 51.33 H new ATOM 1358 N GLY A 121 2.048 0.872 -2.100 1.00 44.11 N ATOM 1359 CA GLY A 121 0.610 0.624 -2.070 1.00 3.02 C ATOM 1360 C GLY A 121 0.284 -0.852 -1.875 1.00 64.14 C ATOM 1361 O GLY A 121 1.099 -1.720 -2.193 1.00 42.42 O ATOM 0 H GLY A 121 2.569 0.248 -2.715 1.00 44.11 H new ATOM 0 HA2 GLY A 121 0.160 1.203 -1.264 1.00 3.02 H new ATOM 0 HA3 GLY A 121 0.163 0.973 -3.001 1.00 3.02 H new ATOM 1365 N ILE A 122 -0.902 -1.148 -1.351 1.00 30.32 N ATOM 1366 CA ILE A 122 -1.314 -2.537 -1.108 1.00 73.41 C ATOM 1367 C ILE A 122 -2.087 -3.101 -2.313 1.00 71.33 C ATOM 1368 O ILE A 122 -3.220 -2.690 -2.586 1.00 62.45 O ATOM 1369 CB ILE A 122 -2.190 -2.648 0.164 1.00 12.52 C ATOM 1370 CG1 ILE A 122 -1.525 -1.908 1.338 1.00 24.53 C ATOM 1371 CG2 ILE A 122 -2.425 -4.117 0.519 1.00 3.03 C ATOM 1372 CD1 ILE A 122 -2.367 -1.881 2.598 1.00 51.44 C ATOM 0 H ILE A 122 -1.597 -0.450 -1.085 1.00 30.32 H new ATOM 0 HA ILE A 122 -0.406 -3.122 -0.962 1.00 73.41 H new ATOM 0 HB ILE A 122 -3.155 -2.182 -0.034 1.00 12.52 H new ATOM 0 HG12 ILE A 122 -0.569 -2.383 1.561 1.00 24.53 H new ATOM 0 HG13 ILE A 122 -1.309 -0.884 1.034 1.00 24.53 H new ATOM 0 HG21 ILE A 122 -3.042 -4.181 1.415 1.00 3.03 H new ATOM 0 HG22 ILE A 122 -2.933 -4.614 -0.307 1.00 3.03 H new ATOM 0 HG23 ILE A 122 -1.468 -4.605 0.703 1.00 3.03 H new ATOM 0 HD11 ILE A 122 -1.833 -1.343 3.381 1.00 51.44 H new ATOM 0 HD12 ILE A 122 -3.313 -1.379 2.393 1.00 51.44 H new ATOM 0 HD13 ILE A 122 -2.562 -2.902 2.927 1.00 51.44 H new ATOM 1384 N TYR A 123 -1.469 -4.044 -3.027 1.00 0.11 N ATOM 1385 CA TYR A 123 -2.041 -4.593 -4.264 1.00 75.02 C ATOM 1386 C TYR A 123 -3.223 -5.539 -3.980 1.00 23.42 C ATOM 1387 O TYR A 123 -3.055 -6.606 -3.384 1.00 71.45 O ATOM 1388 CB TYR A 123 -0.951 -5.334 -5.058 1.00 40.40 C ATOM 1389 CG TYR A 123 -1.381 -5.757 -6.451 1.00 13.05 C ATOM 1390 CD1 TYR A 123 -1.499 -4.822 -7.472 1.00 32.14 C ATOM 1391 CD2 TYR A 123 -1.668 -7.089 -6.749 1.00 74.43 C ATOM 1392 CE1 TYR A 123 -1.886 -5.195 -8.742 1.00 13.52 C ATOM 1393 CE2 TYR A 123 -2.058 -7.468 -8.020 1.00 24.10 C ATOM 1394 CZ TYR A 123 -2.164 -6.518 -9.012 1.00 54.22 C ATOM 1395 OH TYR A 123 -2.556 -6.887 -10.280 1.00 65.52 O ATOM 0 H TYR A 123 -0.568 -4.447 -2.770 1.00 0.11 H new ATOM 0 HA TYR A 123 -2.422 -3.759 -4.853 1.00 75.02 H new ATOM 0 HB2 TYR A 123 -0.075 -4.691 -5.139 1.00 40.40 H new ATOM 0 HB3 TYR A 123 -0.647 -6.219 -4.499 1.00 40.40 H new ATOM 0 HD1 TYR A 123 -1.284 -3.784 -7.267 1.00 32.14 H new ATOM 0 HD2 TYR A 123 -1.584 -7.837 -5.974 1.00 74.43 H new ATOM 0 HE1 TYR A 123 -1.971 -4.453 -9.522 1.00 13.52 H new ATOM 0 HE2 TYR A 123 -2.278 -8.503 -8.234 1.00 24.10 H new ATOM 0 HH TYR A 123 -2.713 -7.854 -10.306 1.00 65.52 H new ATOM 1405 N ILE A 124 -4.419 -5.143 -4.420 1.00 42.23 N ATOM 1406 CA ILE A 124 -5.623 -5.963 -4.236 1.00 13.45 C ATOM 1407 C ILE A 124 -5.922 -6.829 -5.478 1.00 61.23 C ATOM 1408 O ILE A 124 -6.448 -7.937 -5.359 1.00 74.54 O ATOM 1409 CB ILE A 124 -6.864 -5.090 -3.899 1.00 71.34 C ATOM 1410 CG1 ILE A 124 -7.156 -4.090 -5.032 1.00 2.31 C ATOM 1411 CG2 ILE A 124 -6.658 -4.362 -2.568 1.00 0.11 C ATOM 1412 CD1 ILE A 124 -8.344 -3.185 -4.764 1.00 32.42 C ATOM 0 H ILE A 124 -4.582 -4.261 -4.906 1.00 42.23 H new ATOM 0 HA ILE A 124 -5.420 -6.624 -3.393 1.00 13.45 H new ATOM 0 HB ILE A 124 -7.729 -5.746 -3.802 1.00 71.34 H new ATOM 0 HG12 ILE A 124 -6.272 -3.474 -5.196 1.00 2.31 H new ATOM 0 HG13 ILE A 124 -7.334 -4.643 -5.954 1.00 2.31 H new ATOM 0 HG21 ILE A 124 -7.536 -3.755 -2.346 1.00 0.11 H new ATOM 0 HG22 ILE A 124 -6.511 -5.093 -1.773 1.00 0.11 H new ATOM 0 HG23 ILE A 124 -5.780 -3.720 -2.637 1.00 0.11 H new ATOM 0 HD11 ILE A 124 -8.485 -2.510 -5.608 1.00 32.42 H new ATOM 0 HD12 ILE A 124 -9.240 -3.791 -4.631 1.00 32.42 H new ATOM 0 HD13 ILE A 124 -8.162 -2.603 -3.860 1.00 32.42 H new ATOM 1424 N GLY A 125 -5.590 -6.317 -6.669 1.00 63.12 N ATOM 1425 CA GLY A 125 -5.794 -7.083 -7.900 1.00 73.51 C ATOM 1426 C GLY A 125 -6.116 -6.213 -9.119 1.00 24.24 C ATOM 1427 O GLY A 125 -6.547 -5.070 -8.976 1.00 22.33 O ATOM 0 H GLY A 125 -5.185 -5.390 -6.804 1.00 63.12 H new ATOM 0 HA2 GLY A 125 -4.897 -7.666 -8.108 1.00 73.51 H new ATOM 0 HA3 GLY A 125 -6.607 -7.792 -7.746 1.00 73.51 H new ATOM 1431 N ASN A 126 -5.903 -6.768 -10.320 1.00 4.04 N ATOM 1432 CA ASN A 126 -6.173 -6.064 -11.591 1.00 72.35 C ATOM 1433 C ASN A 126 -5.462 -4.700 -11.665 1.00 64.22 C ATOM 1434 O ASN A 126 -6.064 -3.695 -12.048 1.00 60.51 O ATOM 1435 CB ASN A 126 -7.685 -5.890 -11.796 1.00 32.01 C ATOM 1436 CG ASN A 126 -8.407 -7.216 -11.973 1.00 13.34 C ATOM 1437 OD1 ASN A 126 -8.001 -8.239 -11.436 1.00 73.23 O ATOM 1438 ND2 ASN A 126 -9.482 -7.210 -12.736 1.00 41.23 N ATOM 0 H ASN A 126 -5.540 -7.713 -10.443 1.00 4.04 H new ATOM 0 HA ASN A 126 -5.771 -6.682 -12.394 1.00 72.35 H new ATOM 0 HB2 ASN A 126 -8.106 -5.363 -10.940 1.00 32.01 H new ATOM 0 HB3 ASN A 126 -7.860 -5.266 -12.672 1.00 32.01 H new ATOM 0 HD21 ASN A 126 -10.001 -8.074 -12.893 1.00 41.23 H new ATOM 0 HD22 ASN A 126 -9.795 -6.341 -13.169 1.00 41.23 H new ATOM 1445 N ASN A 127 -4.173 -4.681 -11.308 1.00 52.40 N ATOM 1446 CA ASN A 127 -3.359 -3.449 -11.296 1.00 62.42 C ATOM 1447 C ASN A 127 -3.819 -2.452 -10.220 1.00 30.54 C ATOM 1448 O ASN A 127 -3.222 -1.390 -10.064 1.00 61.30 O ATOM 1449 CB ASN A 127 -3.363 -2.755 -12.669 1.00 33.02 C ATOM 1450 CG ASN A 127 -2.870 -3.656 -13.784 1.00 31.43 C ATOM 1451 OD1 ASN A 127 -1.669 -3.791 -14.005 1.00 15.53 O ATOM 1452 ND2 ASN A 127 -3.786 -4.258 -14.511 1.00 72.55 N ATOM 0 H ASN A 127 -3.661 -5.514 -11.019 1.00 52.40 H new ATOM 0 HA ASN A 127 -2.343 -3.765 -11.057 1.00 62.42 H new ATOM 0 HB2 ASN A 127 -4.375 -2.420 -12.899 1.00 33.02 H new ATOM 0 HB3 ASN A 127 -2.736 -1.865 -12.623 1.00 33.02 H new ATOM 0 HD21 ASN A 127 -3.508 -4.859 -15.286 1.00 72.55 H new ATOM 0 HD22 ASN A 127 -4.775 -4.123 -14.299 1.00 72.55 H new ATOM 1459 N GLN A 128 -4.868 -2.799 -9.477 1.00 34.34 N ATOM 1460 CA GLN A 128 -5.443 -1.898 -8.473 1.00 70.43 C ATOM 1461 C GLN A 128 -4.800 -2.084 -7.095 1.00 74.10 C ATOM 1462 O GLN A 128 -4.497 -3.205 -6.673 1.00 43.10 O ATOM 1463 CB GLN A 128 -6.958 -2.107 -8.377 1.00 15.51 C ATOM 1464 CG GLN A 128 -7.694 -1.777 -9.668 1.00 50.30 C ATOM 1465 CD GLN A 128 -9.191 -2.030 -9.590 1.00 74.20 C ATOM 1466 OE1 GLN A 128 -9.599 -3.006 -8.802 1.00 72.50 O flip ATOM 1467 NE2 GLN A 128 -9.976 -1.356 -10.246 1.00 14.12 N flip ATOM 0 H GLN A 128 -5.340 -3.700 -9.550 1.00 34.34 H new ATOM 0 HA GLN A 128 -5.236 -0.878 -8.797 1.00 70.43 H new ATOM 0 HB2 GLN A 128 -7.158 -3.144 -8.107 1.00 15.51 H new ATOM 0 HB3 GLN A 128 -7.353 -1.486 -7.573 1.00 15.51 H new ATOM 0 HG2 GLN A 128 -7.522 -0.730 -9.918 1.00 50.30 H new ATOM 0 HG3 GLN A 128 -7.274 -2.372 -10.479 1.00 50.30 H new ATOM 0 HE21 GLN A 128 -9.628 -0.608 -10.846 1.00 14.12 H new ATOM 0 HE22 GLN A 128 -10.977 -1.543 -10.192 1.00 14.12 H new ATOM 1476 N PHE A 129 -4.615 -0.970 -6.397 1.00 43.11 N ATOM 1477 CA PHE A 129 -3.956 -0.958 -5.088 1.00 15.43 C ATOM 1478 C PHE A 129 -4.391 0.256 -4.257 1.00 35.52 C ATOM 1479 O PHE A 129 -4.656 1.332 -4.801 1.00 53.11 O ATOM 1480 CB PHE A 129 -2.429 -0.950 -5.270 1.00 61.14 C ATOM 1481 CG PHE A 129 -1.952 0.109 -6.227 1.00 71.32 C ATOM 1482 CD1 PHE A 129 -1.867 -0.158 -7.582 1.00 43.34 C ATOM 1483 CD2 PHE A 129 -1.605 1.377 -5.777 1.00 52.11 C ATOM 1484 CE1 PHE A 129 -1.453 0.807 -8.470 1.00 22.12 C ATOM 1485 CE2 PHE A 129 -1.183 2.349 -6.664 1.00 64.23 C ATOM 1486 CZ PHE A 129 -1.109 2.064 -8.012 1.00 53.51 C ATOM 0 H PHE A 129 -4.915 -0.049 -6.718 1.00 43.11 H new ATOM 0 HA PHE A 129 -4.253 -1.859 -4.551 1.00 15.43 H new ATOM 0 HB2 PHE A 129 -1.955 -0.795 -4.301 1.00 61.14 H new ATOM 0 HB3 PHE A 129 -2.107 -1.927 -5.630 1.00 61.14 H new ATOM 0 HD1 PHE A 129 -2.130 -1.140 -7.948 1.00 43.34 H new ATOM 0 HD2 PHE A 129 -1.666 1.605 -4.723 1.00 52.11 H new ATOM 0 HE1 PHE A 129 -1.397 0.582 -9.525 1.00 22.12 H new ATOM 0 HE2 PHE A 129 -0.912 3.330 -6.303 1.00 64.23 H new ATOM 0 HZ PHE A 129 -0.783 2.823 -8.708 1.00 53.51 H new ATOM 1496 N VAL A 130 -4.465 0.082 -2.941 1.00 53.31 N ATOM 1497 CA VAL A 130 -4.829 1.176 -2.033 1.00 62.55 C ATOM 1498 C VAL A 130 -3.575 1.813 -1.401 1.00 55.22 C ATOM 1499 O VAL A 130 -2.670 1.111 -0.941 1.00 1.45 O ATOM 1500 CB VAL A 130 -5.797 0.693 -0.919 1.00 42.30 C ATOM 1501 CG1 VAL A 130 -5.165 -0.414 -0.082 1.00 40.34 C ATOM 1502 CG2 VAL A 130 -6.247 1.860 -0.039 1.00 51.23 C ATOM 0 H VAL A 130 -4.278 -0.806 -2.475 1.00 53.31 H new ATOM 0 HA VAL A 130 -5.342 1.930 -2.629 1.00 62.55 H new ATOM 0 HB VAL A 130 -6.681 0.279 -1.403 1.00 42.30 H new ATOM 0 HG11 VAL A 130 -5.866 -0.732 0.690 1.00 40.34 H new ATOM 0 HG12 VAL A 130 -4.922 -1.261 -0.723 1.00 40.34 H new ATOM 0 HG13 VAL A 130 -4.254 -0.041 0.387 1.00 40.34 H new ATOM 0 HG21 VAL A 130 -6.924 1.494 0.733 1.00 51.23 H new ATOM 0 HG22 VAL A 130 -5.377 2.319 0.430 1.00 51.23 H new ATOM 0 HG23 VAL A 130 -6.762 2.600 -0.652 1.00 51.23 H new ATOM 1512 N HIS A 131 -3.524 3.144 -1.393 1.00 11.40 N ATOM 1513 CA HIS A 131 -2.361 3.876 -0.873 1.00 63.31 C ATOM 1514 C HIS A 131 -2.732 5.318 -0.487 1.00 5.54 C ATOM 1515 O HIS A 131 -3.787 5.821 -0.874 1.00 31.02 O ATOM 1516 CB HIS A 131 -1.248 3.907 -1.928 1.00 64.54 C ATOM 1517 CG HIS A 131 -1.601 4.721 -3.137 1.00 23.04 C ATOM 1518 ND1 HIS A 131 -1.017 5.940 -3.369 1.00 44.30 N ATOM 1519 CD2 HIS A 131 -2.488 4.461 -4.128 1.00 24.03 C ATOM 1520 CE1 HIS A 131 -1.551 6.395 -4.484 1.00 21.41 C ATOM 1521 NE2 HIS A 131 -2.448 5.534 -4.982 1.00 3.41 N ATOM 0 H HIS A 131 -4.274 3.742 -1.740 1.00 11.40 H new ATOM 0 HA HIS A 131 -2.014 3.357 0.020 1.00 63.31 H new ATOM 0 HB2 HIS A 131 -0.341 4.311 -1.478 1.00 64.54 H new ATOM 0 HB3 HIS A 131 -1.022 2.887 -2.238 1.00 64.54 H new ATOM 0 HD2 HIS A 131 -3.106 3.581 -4.226 1.00 24.03 H new ATOM 0 HE1 HIS A 131 -1.298 7.341 -4.939 1.00 21.41 H new ATOM 0 HE2 HIS A 131 -2.997 5.653 -5.834 1.00 3.41 H new ATOM 1529 N ALA A 132 -1.857 5.977 0.266 1.00 52.40 N ATOM 1530 CA ALA A 132 -2.070 7.375 0.654 1.00 1.10 C ATOM 1531 C ALA A 132 -1.433 8.343 -0.360 1.00 53.31 C ATOM 1532 O ALA A 132 -0.234 8.625 -0.303 1.00 50.34 O ATOM 1533 CB ALA A 132 -1.521 7.626 2.055 1.00 13.31 C ATOM 0 H ALA A 132 -0.992 5.569 0.622 1.00 52.40 H new ATOM 0 HA ALA A 132 -3.144 7.562 0.660 1.00 1.10 H new ATOM 0 HB1 ALA A 132 -1.686 8.668 2.329 1.00 13.31 H new ATOM 0 HB2 ALA A 132 -2.031 6.978 2.767 1.00 13.31 H new ATOM 0 HB3 ALA A 132 -0.452 7.412 2.071 1.00 13.31 H new ATOM 1539 N SER A 133 -2.240 8.825 -1.304 1.00 55.00 N ATOM 1540 CA SER A 133 -1.779 9.797 -2.309 1.00 32.44 C ATOM 1541 C SER A 133 -1.510 11.174 -1.686 1.00 31.55 C ATOM 1542 O SER A 133 -2.254 11.630 -0.818 1.00 40.42 O ATOM 1543 CB SER A 133 -2.812 9.939 -3.436 1.00 31.15 C ATOM 1544 OG SER A 133 -2.433 10.953 -4.356 1.00 63.14 O ATOM 0 H SER A 133 -3.221 8.561 -1.399 1.00 55.00 H new ATOM 0 HA SER A 133 -0.843 9.417 -2.718 1.00 32.44 H new ATOM 0 HB2 SER A 133 -2.915 8.989 -3.960 1.00 31.15 H new ATOM 0 HB3 SER A 133 -3.787 10.176 -3.011 1.00 31.15 H new ATOM 0 HG SER A 133 -3.107 11.021 -5.064 1.00 63.14 H new ATOM 1550 N THR A 134 -0.459 11.844 -2.168 1.00 15.51 N ATOM 1551 CA THR A 134 -0.020 13.138 -1.617 1.00 65.20 C ATOM 1552 C THR A 134 -1.155 14.173 -1.560 1.00 24.43 C ATOM 1553 O THR A 134 -1.282 14.917 -0.583 1.00 63.04 O ATOM 1554 CB THR A 134 1.151 13.735 -2.436 1.00 43.13 C ATOM 1555 OG1 THR A 134 0.756 13.916 -3.807 1.00 23.00 O ATOM 1556 CG2 THR A 134 2.383 12.833 -2.374 1.00 71.32 C ATOM 0 H THR A 134 0.111 11.511 -2.946 1.00 15.51 H new ATOM 0 HA THR A 134 0.309 12.926 -0.600 1.00 65.20 H new ATOM 0 HB THR A 134 1.406 14.701 -2.000 1.00 43.13 H new ATOM 0 HG1 THR A 134 1.503 14.295 -4.315 1.00 23.00 H new ATOM 0 HG21 THR A 134 3.189 13.277 -2.958 1.00 71.32 H new ATOM 0 HG22 THR A 134 2.703 12.725 -1.338 1.00 71.32 H new ATOM 0 HG23 THR A 134 2.137 11.853 -2.782 1.00 71.32 H new ATOM 1564 N SER A 135 -1.973 14.221 -2.610 1.00 1.34 N ATOM 1565 CA SER A 135 -3.098 15.172 -2.684 1.00 72.33 C ATOM 1566 C SER A 135 -4.452 14.467 -2.523 1.00 10.50 C ATOM 1567 O SER A 135 -5.327 14.940 -1.800 1.00 20.31 O ATOM 1568 CB SER A 135 -3.073 15.930 -4.022 1.00 53.33 C ATOM 1569 OG SER A 135 -4.108 16.904 -4.102 1.00 63.35 O ATOM 0 H SER A 135 -1.884 13.615 -3.426 1.00 1.34 H new ATOM 0 HA SER A 135 -2.979 15.876 -1.860 1.00 72.33 H new ATOM 0 HB2 SER A 135 -2.106 16.418 -4.144 1.00 53.33 H new ATOM 0 HB3 SER A 135 -3.178 15.221 -4.843 1.00 53.33 H new ATOM 0 HG SER A 135 -4.058 17.365 -4.965 1.00 63.35 H new ATOM 1575 N SER A 136 -4.617 13.332 -3.201 1.00 22.42 N ATOM 1576 CA SER A 136 -5.907 12.619 -3.230 1.00 31.33 C ATOM 1577 C SER A 136 -6.188 11.842 -1.934 1.00 22.24 C ATOM 1578 O SER A 136 -7.336 11.485 -1.658 1.00 52.10 O ATOM 1579 CB SER A 136 -5.942 11.654 -4.421 1.00 52.41 C ATOM 1580 OG SER A 136 -5.738 12.339 -5.650 1.00 1.34 O ATOM 0 H SER A 136 -3.877 12.881 -3.740 1.00 22.42 H new ATOM 0 HA SER A 136 -6.685 13.376 -3.330 1.00 31.33 H new ATOM 0 HB2 SER A 136 -5.173 10.891 -4.296 1.00 52.41 H new ATOM 0 HB3 SER A 136 -6.902 11.138 -4.445 1.00 52.41 H new ATOM 0 HG SER A 136 -5.764 11.697 -6.390 1.00 1.34 H new ATOM 1586 N GLY A 137 -5.145 11.572 -1.150 1.00 62.23 N ATOM 1587 CA GLY A 137 -5.312 10.831 0.099 1.00 70.44 C ATOM 1588 C GLY A 137 -5.377 9.317 -0.095 1.00 25.40 C ATOM 1589 O GLY A 137 -5.006 8.799 -1.152 1.00 13.11 O ATOM 0 H GLY A 137 -4.186 11.852 -1.354 1.00 62.23 H new ATOM 0 HA2 GLY A 137 -4.484 11.069 0.767 1.00 70.44 H new ATOM 0 HA3 GLY A 137 -6.225 11.166 0.592 1.00 70.44 H new ATOM 1593 N VAL A 138 -5.838 8.603 0.930 1.00 25.13 N ATOM 1594 CA VAL A 138 -5.956 7.144 0.870 1.00 62.54 C ATOM 1595 C VAL A 138 -6.996 6.712 -0.182 1.00 43.01 C ATOM 1596 O VAL A 138 -8.204 6.702 0.076 1.00 4.53 O ATOM 1597 CB VAL A 138 -6.327 6.546 2.252 1.00 75.43 C ATOM 1598 CG1 VAL A 138 -6.419 5.023 2.181 1.00 61.21 C ATOM 1599 CG2 VAL A 138 -5.317 6.976 3.315 1.00 61.44 C ATOM 0 H VAL A 138 -6.137 9.011 1.816 1.00 25.13 H new ATOM 0 HA VAL A 138 -4.980 6.757 0.578 1.00 62.54 H new ATOM 0 HB VAL A 138 -7.307 6.931 2.534 1.00 75.43 H new ATOM 0 HG11 VAL A 138 -6.680 4.628 3.163 1.00 61.21 H new ATOM 0 HG12 VAL A 138 -7.185 4.738 1.460 1.00 61.21 H new ATOM 0 HG13 VAL A 138 -5.458 4.615 1.870 1.00 61.21 H new ATOM 0 HG21 VAL A 138 -5.596 6.546 4.277 1.00 61.44 H new ATOM 0 HG22 VAL A 138 -4.323 6.626 3.035 1.00 61.44 H new ATOM 0 HG23 VAL A 138 -5.311 8.063 3.392 1.00 61.44 H new ATOM 1609 N ILE A 139 -6.512 6.375 -1.376 1.00 24.53 N ATOM 1610 CA ILE A 139 -7.375 5.976 -2.494 1.00 1.45 C ATOM 1611 C ILE A 139 -6.914 4.653 -3.121 1.00 21.51 C ATOM 1612 O ILE A 139 -5.874 4.104 -2.756 1.00 0.34 O ATOM 1613 CB ILE A 139 -7.395 7.058 -3.606 1.00 13.40 C ATOM 1614 CG1 ILE A 139 -5.979 7.270 -4.179 1.00 62.25 C ATOM 1615 CG2 ILE A 139 -7.969 8.370 -3.074 1.00 24.34 C ATOM 1616 CD1 ILE A 139 -5.936 8.187 -5.386 1.00 33.25 C ATOM 0 H ILE A 139 -5.517 6.370 -1.598 1.00 24.53 H new ATOM 0 HA ILE A 139 -8.375 5.853 -2.079 1.00 1.45 H new ATOM 0 HB ILE A 139 -8.041 6.710 -4.412 1.00 13.40 H new ATOM 0 HG12 ILE A 139 -5.340 7.683 -3.398 1.00 62.25 H new ATOM 0 HG13 ILE A 139 -5.561 6.302 -4.455 1.00 62.25 H new ATOM 0 HG21 ILE A 139 -7.974 9.114 -3.870 1.00 24.34 H new ATOM 0 HG22 ILE A 139 -8.988 8.206 -2.725 1.00 24.34 H new ATOM 0 HG23 ILE A 139 -7.355 8.727 -2.247 1.00 24.34 H new ATOM 0 HD11 ILE A 139 -4.907 8.286 -5.731 1.00 33.25 H new ATOM 0 HD12 ILE A 139 -6.547 7.766 -6.184 1.00 33.25 H new ATOM 0 HD13 ILE A 139 -6.323 9.168 -5.111 1.00 33.25 H new ATOM 1628 N ILE A 140 -7.699 4.150 -4.070 1.00 55.15 N ATOM 1629 CA ILE A 140 -7.331 2.957 -4.834 1.00 34.30 C ATOM 1630 C ILE A 140 -6.951 3.334 -6.274 1.00 41.21 C ATOM 1631 O ILE A 140 -7.817 3.647 -7.094 1.00 60.12 O ATOM 1632 CB ILE A 140 -8.490 1.925 -4.863 1.00 60.12 C ATOM 1633 CG1 ILE A 140 -8.893 1.529 -3.431 1.00 74.52 C ATOM 1634 CG2 ILE A 140 -8.096 0.689 -5.674 1.00 43.55 C ATOM 1635 CD1 ILE A 140 -10.063 0.566 -3.362 1.00 22.05 C ATOM 0 H ILE A 140 -8.600 4.552 -4.331 1.00 55.15 H new ATOM 0 HA ILE A 140 -6.472 2.505 -4.338 1.00 34.30 H new ATOM 0 HB ILE A 140 -9.349 2.388 -5.348 1.00 60.12 H new ATOM 0 HG12 ILE A 140 -8.034 1.077 -2.935 1.00 74.52 H new ATOM 0 HG13 ILE A 140 -9.145 2.431 -2.873 1.00 74.52 H new ATOM 0 HG21 ILE A 140 -8.923 -0.021 -5.681 1.00 43.55 H new ATOM 0 HG22 ILE A 140 -7.863 0.984 -6.697 1.00 43.55 H new ATOM 0 HG23 ILE A 140 -7.221 0.222 -5.223 1.00 43.55 H new ATOM 0 HD11 ILE A 140 -10.284 0.337 -2.320 1.00 22.05 H new ATOM 0 HD12 ILE A 140 -10.937 1.022 -3.827 1.00 22.05 H new ATOM 0 HD13 ILE A 140 -9.809 -0.353 -3.890 1.00 22.05 H new ATOM 1647 N SER A 141 -5.656 3.329 -6.573 1.00 51.22 N ATOM 1648 CA SER A 141 -5.170 3.653 -7.924 1.00 53.03 C ATOM 1649 C SER A 141 -4.914 2.379 -8.739 1.00 43.44 C ATOM 1650 O SER A 141 -5.238 1.274 -8.301 1.00 54.11 O ATOM 1651 CB SER A 141 -3.891 4.502 -7.849 1.00 60.32 C ATOM 1652 OG SER A 141 -4.137 5.754 -7.223 1.00 61.32 O ATOM 0 H SER A 141 -4.919 3.105 -5.904 1.00 51.22 H new ATOM 0 HA SER A 141 -5.945 4.230 -8.428 1.00 53.03 H new ATOM 0 HB2 SER A 141 -3.125 3.960 -7.295 1.00 60.32 H new ATOM 0 HB3 SER A 141 -3.502 4.666 -8.854 1.00 60.32 H new ATOM 0 HG SER A 141 -3.627 6.454 -7.681 1.00 61.32 H new ATOM 1658 N SER A 142 -4.343 2.530 -9.933 1.00 12.41 N ATOM 1659 CA SER A 142 -4.094 1.374 -10.809 1.00 73.11 C ATOM 1660 C SER A 142 -2.837 1.566 -11.672 1.00 4.52 C ATOM 1661 O SER A 142 -2.632 2.629 -12.255 1.00 24.51 O ATOM 1662 CB SER A 142 -5.304 1.128 -11.720 1.00 3.34 C ATOM 1663 OG SER A 142 -6.507 1.001 -10.973 1.00 34.13 O ATOM 0 H SER A 142 -4.046 3.427 -10.317 1.00 12.41 H new ATOM 0 HA SER A 142 -3.933 0.510 -10.164 1.00 73.11 H new ATOM 0 HB2 SER A 142 -5.400 1.951 -12.428 1.00 3.34 H new ATOM 0 HB3 SER A 142 -5.141 0.223 -12.305 1.00 3.34 H new ATOM 0 HG SER A 142 -7.257 0.847 -11.585 1.00 34.13 H new ATOM 1669 N MET A 143 -2.006 0.523 -11.772 1.00 21.05 N ATOM 1670 CA MET A 143 -0.786 0.578 -12.600 1.00 42.53 C ATOM 1671 C MET A 143 -1.105 0.495 -14.104 1.00 54.10 C ATOM 1672 O MET A 143 -0.199 0.411 -14.934 1.00 14.20 O ATOM 1673 CB MET A 143 0.196 -0.535 -12.210 1.00 3.42 C ATOM 1674 CG MET A 143 0.713 -0.423 -10.783 1.00 20.45 C ATOM 1675 SD MET A 143 2.110 -1.515 -10.452 1.00 33.34 S ATOM 1676 CE MET A 143 1.412 -3.108 -10.869 1.00 2.24 C ATOM 0 H MET A 143 -2.150 -0.367 -11.295 1.00 21.05 H new ATOM 0 HA MET A 143 -0.319 1.544 -12.409 1.00 42.53 H new ATOM 0 HB2 MET A 143 -0.295 -1.500 -12.334 1.00 3.42 H new ATOM 0 HB3 MET A 143 1.043 -0.517 -12.896 1.00 3.42 H new ATOM 0 HG2 MET A 143 1.011 0.608 -10.590 1.00 20.45 H new ATOM 0 HG3 MET A 143 -0.095 -0.656 -10.090 1.00 20.45 H new ATOM 0 HE1 MET A 143 2.083 -3.898 -10.533 1.00 2.24 H new ATOM 0 HE2 MET A 143 0.445 -3.221 -10.379 1.00 2.24 H new ATOM 0 HE3 MET A 143 1.282 -3.177 -11.949 1.00 2.24 H new ATOM 1686 N ASN A 144 -2.390 0.496 -14.452 1.00 10.05 N ATOM 1687 CA ASN A 144 -2.807 0.634 -15.852 1.00 35.55 C ATOM 1688 C ASN A 144 -2.882 2.124 -16.240 1.00 43.51 C ATOM 1689 O ASN A 144 -3.100 2.467 -17.403 1.00 34.25 O ATOM 1690 CB ASN A 144 -4.150 -0.078 -16.098 1.00 54.25 C ATOM 1691 CG ASN A 144 -5.245 0.369 -15.149 1.00 41.45 C ATOM 1692 OD1 ASN A 144 -5.279 1.513 -14.712 1.00 21.31 O ATOM 1693 ND2 ASN A 144 -6.140 -0.535 -14.809 1.00 62.33 N ATOM 0 H ASN A 144 -3.160 0.403 -13.790 1.00 10.05 H new ATOM 0 HA ASN A 144 -2.062 0.154 -16.487 1.00 35.55 H new ATOM 0 HB2 ASN A 144 -4.469 0.107 -17.124 1.00 54.25 H new ATOM 0 HB3 ASN A 144 -4.007 -1.154 -15.997 1.00 54.25 H new ATOM 0 HD21 ASN A 144 -6.891 -0.291 -14.163 1.00 62.33 H new ATOM 0 HD22 ASN A 144 -6.082 -1.479 -15.192 1.00 62.33 H new ATOM 1700 N GLU A 145 -2.711 3.001 -15.248 1.00 3.02 N ATOM 1701 CA GLU A 145 -2.575 4.444 -15.480 1.00 53.12 C ATOM 1702 C GLU A 145 -1.153 4.775 -15.956 1.00 21.00 C ATOM 1703 O GLU A 145 -0.180 4.251 -15.408 1.00 34.53 O ATOM 1704 CB GLU A 145 -2.875 5.219 -14.187 1.00 44.31 C ATOM 1705 CG GLU A 145 -4.301 5.060 -13.670 1.00 74.25 C ATOM 1706 CD GLU A 145 -5.318 5.844 -14.483 1.00 55.21 C ATOM 1707 OE1 GLU A 145 -5.786 5.333 -15.520 1.00 52.03 O ATOM 1708 OE2 GLU A 145 -5.664 6.975 -14.076 1.00 1.23 O ATOM 0 H GLU A 145 -2.663 2.734 -14.265 1.00 3.02 H new ATOM 0 HA GLU A 145 -3.288 4.738 -16.250 1.00 53.12 H new ATOM 0 HB2 GLU A 145 -2.182 4.890 -13.412 1.00 44.31 H new ATOM 0 HB3 GLU A 145 -2.681 6.278 -14.360 1.00 44.31 H new ATOM 0 HG2 GLU A 145 -4.570 4.004 -13.682 1.00 74.25 H new ATOM 0 HG3 GLU A 145 -4.344 5.388 -12.631 1.00 74.25 H new ATOM 1715 N PRO A 146 -1.003 5.652 -16.966 1.00 12.20 N ATOM 1716 CA PRO A 146 0.316 5.995 -17.521 1.00 22.30 C ATOM 1717 C PRO A 146 1.336 6.422 -16.447 1.00 64.12 C ATOM 1718 O PRO A 146 2.473 5.948 -16.445 1.00 30.03 O ATOM 1719 CB PRO A 146 0.023 7.147 -18.505 1.00 30.41 C ATOM 1720 CG PRO A 146 -1.387 7.567 -18.233 1.00 1.40 C ATOM 1721 CD PRO A 146 -2.087 6.366 -17.657 1.00 51.14 C ATOM 0 HA PRO A 146 0.780 5.131 -17.998 1.00 22.30 H new ATOM 0 HB2 PRO A 146 0.714 7.976 -18.353 1.00 30.41 H new ATOM 0 HB3 PRO A 146 0.141 6.819 -19.538 1.00 30.41 H new ATOM 0 HG2 PRO A 146 -1.415 8.404 -17.535 1.00 1.40 H new ATOM 0 HG3 PRO A 146 -1.876 7.899 -19.149 1.00 1.40 H new ATOM 0 HD2 PRO A 146 -2.883 6.654 -16.970 1.00 51.14 H new ATOM 0 HD3 PRO A 146 -2.543 5.753 -18.435 1.00 51.14 H new ATOM 1729 N TYR A 147 0.928 7.301 -15.525 1.00 53.44 N ATOM 1730 CA TYR A 147 1.823 7.766 -14.458 1.00 64.15 C ATOM 1731 C TYR A 147 2.300 6.608 -13.568 1.00 2.53 C ATOM 1732 O TYR A 147 3.493 6.477 -13.297 1.00 25.24 O ATOM 1733 CB TYR A 147 1.134 8.834 -13.593 1.00 13.34 C ATOM 1734 CG TYR A 147 1.995 9.331 -12.437 1.00 21.51 C ATOM 1735 CD1 TYR A 147 3.114 10.124 -12.670 1.00 24.41 C ATOM 1736 CD2 TYR A 147 1.695 8.995 -11.117 1.00 23.21 C ATOM 1737 CE1 TYR A 147 3.907 10.568 -11.627 1.00 13.33 C ATOM 1738 CE2 TYR A 147 2.485 9.434 -10.071 1.00 21.40 C ATOM 1739 CZ TYR A 147 3.588 10.221 -10.329 1.00 21.10 C ATOM 1740 OH TYR A 147 4.382 10.652 -9.288 1.00 54.25 O ATOM 0 H TYR A 147 -0.009 7.703 -15.495 1.00 53.44 H new ATOM 0 HA TYR A 147 2.695 8.205 -14.943 1.00 64.15 H new ATOM 0 HB2 TYR A 147 0.863 9.681 -14.223 1.00 13.34 H new ATOM 0 HB3 TYR A 147 0.206 8.424 -13.194 1.00 13.34 H new ATOM 0 HD1 TYR A 147 3.368 10.398 -13.683 1.00 24.41 H new ATOM 0 HD2 TYR A 147 0.831 8.382 -10.909 1.00 23.21 H new ATOM 0 HE1 TYR A 147 4.772 11.183 -11.827 1.00 13.33 H new ATOM 0 HE2 TYR A 147 2.239 9.162 -9.055 1.00 21.40 H new ATOM 0 HH TYR A 147 4.018 10.321 -8.440 1.00 54.25 H new ATOM 1750 N TRP A 148 1.374 5.761 -13.131 1.00 3.32 N ATOM 1751 CA TRP A 148 1.715 4.671 -12.208 1.00 13.14 C ATOM 1752 C TRP A 148 2.521 3.572 -12.915 1.00 32.31 C ATOM 1753 O TRP A 148 3.447 2.998 -12.341 1.00 21.11 O ATOM 1754 CB TRP A 148 0.449 4.079 -11.572 1.00 24.43 C ATOM 1755 CG TRP A 148 -0.295 5.048 -10.694 1.00 31.50 C ATOM 1756 CD1 TRP A 148 -1.579 5.484 -10.854 1.00 53.12 C ATOM 1757 CD2 TRP A 148 0.207 5.705 -9.522 1.00 22.33 C ATOM 1758 NE1 TRP A 148 -1.908 6.366 -9.855 1.00 22.33 N ATOM 1759 CE2 TRP A 148 -0.829 6.517 -9.023 1.00 24.31 C ATOM 1760 CE3 TRP A 148 1.431 5.679 -8.843 1.00 0.20 C ATOM 1761 CZ2 TRP A 148 -0.675 7.302 -7.882 1.00 24.30 C ATOM 1762 CZ3 TRP A 148 1.581 6.456 -7.709 1.00 70.03 C ATOM 1763 CH2 TRP A 148 0.534 7.258 -7.238 1.00 55.23 C ATOM 0 H TRP A 148 0.390 5.802 -13.395 1.00 3.32 H new ATOM 0 HA TRP A 148 2.337 5.091 -11.418 1.00 13.14 H new ATOM 0 HB2 TRP A 148 -0.217 3.733 -12.363 1.00 24.43 H new ATOM 0 HB3 TRP A 148 0.724 3.205 -10.982 1.00 24.43 H new ATOM 0 HD1 TRP A 148 -2.240 5.179 -11.651 1.00 53.12 H new ATOM 0 HE1 TRP A 148 -2.809 6.833 -9.749 1.00 22.33 H new ATOM 0 HE3 TRP A 148 2.244 5.063 -9.199 1.00 0.20 H new ATOM 0 HZ2 TRP A 148 -1.480 7.923 -7.518 1.00 24.30 H new ATOM 0 HZ3 TRP A 148 2.521 6.444 -7.178 1.00 70.03 H new ATOM 0 HH2 TRP A 148 0.682 7.854 -6.349 1.00 55.23 H new ATOM 1774 N LYS A 149 2.177 3.305 -14.173 1.00 10.41 N ATOM 1775 CA LYS A 149 2.866 2.288 -14.976 1.00 12.21 C ATOM 1776 C LYS A 149 4.366 2.603 -15.123 1.00 31.42 C ATOM 1777 O LYS A 149 5.216 1.719 -15.005 1.00 31.14 O ATOM 1778 CB LYS A 149 2.211 2.192 -16.360 1.00 50.02 C ATOM 1779 CG LYS A 149 2.793 1.098 -17.250 1.00 21.00 C ATOM 1780 CD LYS A 149 2.091 1.034 -18.604 1.00 62.12 C ATOM 1781 CE LYS A 149 2.250 2.328 -19.395 1.00 62.14 C ATOM 1782 NZ LYS A 149 1.570 2.256 -20.713 1.00 22.11 N ATOM 0 H LYS A 149 1.420 3.781 -14.664 1.00 10.41 H new ATOM 0 HA LYS A 149 2.777 1.332 -14.460 1.00 12.21 H new ATOM 0 HB2 LYS A 149 1.143 2.013 -16.233 1.00 50.02 H new ATOM 0 HB3 LYS A 149 2.315 3.151 -16.867 1.00 50.02 H new ATOM 0 HG2 LYS A 149 3.857 1.280 -17.401 1.00 21.00 H new ATOM 0 HG3 LYS A 149 2.702 0.135 -16.748 1.00 21.00 H new ATOM 0 HD2 LYS A 149 2.496 0.204 -19.183 1.00 62.12 H new ATOM 0 HD3 LYS A 149 1.031 0.830 -18.453 1.00 62.12 H new ATOM 0 HE2 LYS A 149 1.840 3.158 -18.820 1.00 62.14 H new ATOM 0 HE3 LYS A 149 3.310 2.535 -19.544 1.00 62.14 H new ATOM 0 HZ1 LYS A 149 1.701 3.154 -21.221 1.00 22.11 H new ATOM 0 HZ2 LYS A 149 1.978 1.480 -21.272 1.00 22.11 H new ATOM 0 HZ3 LYS A 149 0.554 2.084 -20.571 1.00 22.11 H new ATOM 1796 N LYS A 150 4.685 3.874 -15.374 1.00 2.23 N ATOM 1797 CA LYS A 150 6.083 4.308 -15.528 1.00 32.34 C ATOM 1798 C LYS A 150 6.721 4.692 -14.180 1.00 1.23 C ATOM 1799 O LYS A 150 7.873 5.130 -14.130 1.00 52.43 O ATOM 1800 CB LYS A 150 6.166 5.490 -16.503 1.00 23.15 C ATOM 1801 CG LYS A 150 5.445 6.748 -16.025 1.00 70.21 C ATOM 1802 CD LYS A 150 5.395 7.827 -17.104 1.00 23.41 C ATOM 1803 CE LYS A 150 4.641 7.352 -18.344 1.00 22.33 C ATOM 1804 NZ LYS A 150 4.538 8.414 -19.374 1.00 25.50 N ATOM 0 H LYS A 150 3.999 4.622 -15.476 1.00 2.23 H new ATOM 0 HA LYS A 150 6.644 3.464 -15.929 1.00 32.34 H new ATOM 0 HB2 LYS A 150 7.215 5.730 -16.677 1.00 23.15 H new ATOM 0 HB3 LYS A 150 5.745 5.186 -17.462 1.00 23.15 H new ATOM 0 HG2 LYS A 150 4.430 6.491 -15.723 1.00 70.21 H new ATOM 0 HG3 LYS A 150 5.950 7.141 -15.143 1.00 70.21 H new ATOM 0 HD2 LYS A 150 4.913 8.719 -16.704 1.00 23.41 H new ATOM 0 HD3 LYS A 150 6.410 8.111 -17.382 1.00 23.41 H new ATOM 0 HE2 LYS A 150 5.149 6.485 -18.767 1.00 22.33 H new ATOM 0 HE3 LYS A 150 3.641 7.027 -18.057 1.00 22.33 H new ATOM 0 HZ1 LYS A 150 4.019 8.049 -20.198 1.00 25.50 H new ATOM 0 HZ2 LYS A 150 4.031 9.232 -18.980 1.00 25.50 H new ATOM 0 HZ3 LYS A 150 5.492 8.707 -19.667 1.00 25.50 H new ATOM 1818 N ARG A 151 5.964 4.550 -13.095 1.00 3.20 N ATOM 1819 CA ARG A 151 6.479 4.815 -11.743 1.00 3.51 C ATOM 1820 C ARG A 151 6.652 3.516 -10.940 1.00 33.21 C ATOM 1821 O ARG A 151 7.338 3.505 -9.917 1.00 71.02 O ATOM 1822 CB ARG A 151 5.559 5.802 -10.997 1.00 74.11 C ATOM 1823 CG ARG A 151 5.987 7.267 -11.123 1.00 43.31 C ATOM 1824 CD ARG A 151 6.194 7.694 -12.571 1.00 44.54 C ATOM 1825 NE ARG A 151 6.775 9.031 -12.677 1.00 74.00 N ATOM 1826 CZ ARG A 151 7.731 9.353 -13.511 1.00 33.22 C ATOM 1827 NH1 ARG A 151 8.254 8.466 -14.298 1.00 75.41 N ATOM 1828 NH2 ARG A 151 8.172 10.567 -13.549 1.00 14.40 N ATOM 0 H ARG A 151 4.989 4.252 -13.120 1.00 3.20 H new ATOM 0 HA ARG A 151 7.464 5.270 -11.846 1.00 3.51 H new ATOM 0 HB2 ARG A 151 4.544 5.696 -11.379 1.00 74.11 H new ATOM 0 HB3 ARG A 151 5.532 5.531 -9.942 1.00 74.11 H new ATOM 0 HG2 ARG A 151 5.230 7.904 -10.665 1.00 43.31 H new ATOM 0 HG3 ARG A 151 6.912 7.421 -10.567 1.00 43.31 H new ATOM 0 HD2 ARG A 151 6.846 6.976 -13.070 1.00 44.54 H new ATOM 0 HD3 ARG A 151 5.238 7.673 -13.094 1.00 44.54 H new ATOM 0 HE ARG A 151 6.412 9.759 -12.062 1.00 74.00 H new ATOM 0 HH11 ARG A 151 7.921 7.502 -14.273 1.00 75.41 H new ATOM 0 HH12 ARG A 151 8.998 8.732 -14.943 1.00 75.41 H new ATOM 0 HH21 ARG A 151 7.775 11.273 -12.929 1.00 14.40 H new ATOM 0 HH22 ARG A 151 8.917 10.819 -14.199 1.00 14.40 H new ATOM 1842 N TYR A 152 6.018 2.434 -11.398 1.00 53.54 N ATOM 1843 CA TYR A 152 6.205 1.111 -10.801 1.00 35.31 C ATOM 1844 C TYR A 152 7.683 0.685 -10.823 1.00 44.32 C ATOM 1845 O TYR A 152 8.251 0.411 -11.884 1.00 1.45 O ATOM 1846 CB TYR A 152 5.338 0.077 -11.541 1.00 21.23 C ATOM 1847 CG TYR A 152 5.670 -1.373 -11.217 1.00 42.13 C ATOM 1848 CD1 TYR A 152 5.295 -1.950 -10.004 1.00 23.44 C ATOM 1849 CD2 TYR A 152 6.361 -2.164 -12.130 1.00 31.44 C ATOM 1850 CE1 TYR A 152 5.603 -3.270 -9.719 1.00 22.40 C ATOM 1851 CE2 TYR A 152 6.669 -3.476 -11.849 1.00 25.23 C ATOM 1852 CZ TYR A 152 6.290 -4.025 -10.646 1.00 61.33 C ATOM 1853 OH TYR A 152 6.602 -5.341 -10.374 1.00 11.53 O ATOM 0 H TYR A 152 5.368 2.449 -12.184 1.00 53.54 H new ATOM 0 HA TYR A 152 5.894 1.163 -9.758 1.00 35.31 H new ATOM 0 HB2 TYR A 152 4.291 0.260 -11.299 1.00 21.23 H new ATOM 0 HB3 TYR A 152 5.448 0.231 -12.614 1.00 21.23 H new ATOM 0 HD1 TYR A 152 4.757 -1.360 -9.277 1.00 23.44 H new ATOM 0 HD2 TYR A 152 6.661 -1.741 -13.077 1.00 31.44 H new ATOM 0 HE1 TYR A 152 5.307 -3.705 -8.776 1.00 22.40 H new ATOM 0 HE2 TYR A 152 7.207 -4.073 -12.571 1.00 25.23 H new ATOM 0 HH TYR A 152 5.920 -5.723 -9.783 1.00 11.53 H new ATOM 1863 N ASN A 153 8.304 0.650 -9.648 1.00 41.35 N ATOM 1864 CA ASN A 153 9.697 0.218 -9.520 1.00 50.22 C ATOM 1865 C ASN A 153 9.772 -1.313 -9.390 1.00 3.02 C ATOM 1866 O ASN A 153 10.458 -1.984 -10.160 1.00 72.23 O ATOM 1867 CB ASN A 153 10.339 0.896 -8.302 1.00 51.01 C ATOM 1868 CG ASN A 153 11.851 0.759 -8.272 1.00 74.21 C ATOM 1869 OD1 ASN A 153 12.572 1.592 -8.809 1.00 11.10 O ATOM 1870 ND2 ASN A 153 12.342 -0.289 -7.645 1.00 52.32 N ATOM 0 H ASN A 153 7.865 0.916 -8.767 1.00 41.35 H new ATOM 0 HA ASN A 153 10.245 0.511 -10.415 1.00 50.22 H new ATOM 0 HB2 ASN A 153 10.076 1.954 -8.302 1.00 51.01 H new ATOM 0 HB3 ASN A 153 9.923 0.464 -7.392 1.00 51.01 H new ATOM 0 HD21 ASN A 153 13.351 -0.427 -7.595 1.00 52.32 H new ATOM 0 HD22 ASN A 153 11.713 -0.963 -7.209 1.00 52.32 H new ATOM 1877 N GLU A 154 9.050 -1.851 -8.406 1.00 54.05 N ATOM 1878 CA GLU A 154 8.968 -3.302 -8.188 1.00 43.45 C ATOM 1879 C GLU A 154 7.938 -3.622 -7.097 1.00 42.25 C ATOM 1880 O GLU A 154 7.450 -2.725 -6.418 1.00 43.13 O ATOM 1881 CB GLU A 154 10.338 -3.880 -7.799 1.00 53.42 C ATOM 1882 CG GLU A 154 10.864 -3.385 -6.455 1.00 12.10 C ATOM 1883 CD GLU A 154 12.250 -3.917 -6.140 1.00 44.40 C ATOM 1884 OE1 GLU A 154 12.365 -5.104 -5.771 1.00 63.43 O ATOM 1885 OE2 GLU A 154 13.232 -3.159 -6.262 1.00 53.24 O ATOM 0 H GLU A 154 8.508 -1.300 -7.740 1.00 54.05 H new ATOM 0 HA GLU A 154 8.652 -3.764 -9.123 1.00 43.45 H new ATOM 0 HB2 GLU A 154 10.267 -4.967 -7.771 1.00 53.42 H new ATOM 0 HB3 GLU A 154 11.061 -3.628 -8.575 1.00 53.42 H new ATOM 0 HG2 GLU A 154 10.889 -2.295 -6.458 1.00 12.10 H new ATOM 0 HG3 GLU A 154 10.175 -3.686 -5.666 1.00 12.10 H new ATOM 1892 N ALA A 155 7.599 -4.898 -6.936 1.00 72.31 N ATOM 1893 CA ALA A 155 6.652 -5.317 -5.893 1.00 2.11 C ATOM 1894 C ALA A 155 7.280 -6.353 -4.954 1.00 44.40 C ATOM 1895 O ALA A 155 8.106 -7.161 -5.377 1.00 30.21 O ATOM 1896 CB ALA A 155 5.385 -5.875 -6.529 1.00 31.32 C ATOM 0 H ALA A 155 7.961 -5.661 -7.509 1.00 72.31 H new ATOM 0 HA ALA A 155 6.395 -4.441 -5.298 1.00 2.11 H new ATOM 0 HB1 ALA A 155 4.690 -6.182 -5.747 1.00 31.32 H new ATOM 0 HB2 ALA A 155 4.919 -5.107 -7.147 1.00 31.32 H new ATOM 0 HB3 ALA A 155 5.638 -6.735 -7.149 1.00 31.32 H new ATOM 1902 N ARG A 156 6.897 -6.325 -3.676 1.00 22.53 N ATOM 1903 CA ARG A 156 7.455 -7.249 -2.675 1.00 63.33 C ATOM 1904 C ARG A 156 6.395 -7.707 -1.660 1.00 24.24 C ATOM 1905 O ARG A 156 5.621 -6.900 -1.146 1.00 0.35 O ATOM 1906 CB ARG A 156 8.632 -6.589 -1.934 1.00 54.12 C ATOM 1907 CG ARG A 156 9.797 -6.217 -2.847 1.00 23.32 C ATOM 1908 CD ARG A 156 10.983 -5.633 -2.088 1.00 40.14 C ATOM 1909 NE ARG A 156 12.039 -5.209 -3.004 1.00 22.40 N ATOM 1910 CZ ARG A 156 13.282 -5.004 -2.668 1.00 52.03 C ATOM 1911 NH1 ARG A 156 13.681 -5.165 -1.447 1.00 3.31 N ATOM 1912 NH2 ARG A 156 14.131 -4.634 -3.572 1.00 71.42 N ATOM 0 H ARG A 156 6.204 -5.675 -3.306 1.00 22.53 H new ATOM 0 HA ARG A 156 7.808 -8.130 -3.211 1.00 63.33 H new ATOM 0 HB2 ARG A 156 8.275 -5.691 -1.430 1.00 54.12 H new ATOM 0 HB3 ARG A 156 8.990 -7.268 -1.160 1.00 54.12 H new ATOM 0 HG2 ARG A 156 10.122 -7.103 -3.392 1.00 23.32 H new ATOM 0 HG3 ARG A 156 9.455 -5.494 -3.588 1.00 23.32 H new ATOM 0 HD2 ARG A 156 10.653 -4.783 -1.491 1.00 40.14 H new ATOM 0 HD3 ARG A 156 11.376 -6.376 -1.395 1.00 40.14 H new ATOM 0 HE ARG A 156 11.785 -5.062 -3.981 1.00 22.40 H new ATOM 0 HH11 ARG A 156 13.019 -5.457 -0.728 1.00 3.31 H new ATOM 0 HH12 ARG A 156 14.658 -5.000 -1.204 1.00 3.31 H new ATOM 0 HH21 ARG A 156 13.825 -4.505 -4.537 1.00 71.42 H new ATOM 0 HH22 ARG A 156 15.106 -4.471 -3.320 1.00 71.42 H new ATOM 1926 N ARG A 157 6.369 -9.008 -1.366 1.00 42.22 N ATOM 1927 CA ARG A 157 5.452 -9.550 -0.353 1.00 62.52 C ATOM 1928 C ARG A 157 6.142 -9.675 1.012 1.00 61.43 C ATOM 1929 O ARG A 157 7.113 -10.416 1.170 1.00 33.44 O ATOM 1930 CB ARG A 157 4.861 -10.914 -0.773 1.00 34.34 C ATOM 1931 CG ARG A 157 5.884 -11.998 -1.123 1.00 11.21 C ATOM 1932 CD ARG A 157 6.266 -11.972 -2.600 1.00 23.43 C ATOM 1933 NE ARG A 157 7.156 -13.075 -2.964 1.00 21.00 N ATOM 1934 CZ ARG A 157 6.748 -14.258 -3.343 1.00 74.22 C ATOM 1935 NH1 ARG A 157 5.484 -14.536 -3.407 1.00 14.14 N ATOM 1936 NH2 ARG A 157 7.615 -15.155 -3.679 1.00 62.40 N ATOM 0 H ARG A 157 6.967 -9.705 -1.810 1.00 42.22 H new ATOM 0 HA ARG A 157 4.629 -8.840 -0.268 1.00 62.52 H new ATOM 0 HB2 ARG A 157 4.231 -11.282 0.037 1.00 34.34 H new ATOM 0 HB3 ARG A 157 4.213 -10.759 -1.636 1.00 34.34 H new ATOM 0 HG2 ARG A 157 6.778 -11.861 -0.515 1.00 11.21 H new ATOM 0 HG3 ARG A 157 5.475 -12.977 -0.872 1.00 11.21 H new ATOM 0 HD2 ARG A 157 5.362 -12.022 -3.207 1.00 23.43 H new ATOM 0 HD3 ARG A 157 6.753 -11.024 -2.830 1.00 23.43 H new ATOM 0 HE ARG A 157 8.162 -12.910 -2.919 1.00 21.00 H new ATOM 0 HH11 ARG A 157 4.793 -13.828 -3.160 1.00 14.14 H new ATOM 0 HH12 ARG A 157 5.180 -15.463 -3.704 1.00 14.14 H new ATOM 0 HH21 ARG A 157 8.611 -14.938 -3.648 1.00 62.40 H new ATOM 0 HH22 ARG A 157 7.303 -16.080 -3.976 1.00 62.40 H new ATOM 1950 N VAL A 158 5.635 -8.932 1.990 1.00 11.40 N ATOM 1951 CA VAL A 158 6.186 -8.935 3.352 1.00 24.43 C ATOM 1952 C VAL A 158 5.460 -9.939 4.267 1.00 25.44 C ATOM 1953 O VAL A 158 5.786 -10.069 5.447 1.00 62.04 O ATOM 1954 CB VAL A 158 6.096 -7.519 3.980 1.00 3.23 C ATOM 1955 CG1 VAL A 158 6.968 -6.528 3.211 1.00 3.03 C ATOM 1956 CG2 VAL A 158 4.645 -7.039 4.020 1.00 41.52 C ATOM 0 H VAL A 158 4.835 -8.312 1.868 1.00 11.40 H new ATOM 0 HA VAL A 158 7.230 -9.238 3.269 1.00 24.43 H new ATOM 0 HB VAL A 158 6.468 -7.577 5.003 1.00 3.23 H new ATOM 0 HG11 VAL A 158 6.889 -5.542 3.669 1.00 3.03 H new ATOM 0 HG12 VAL A 158 8.006 -6.859 3.239 1.00 3.03 H new ATOM 0 HG13 VAL A 158 6.632 -6.475 2.176 1.00 3.03 H new ATOM 0 HG21 VAL A 158 4.603 -6.044 4.464 1.00 41.52 H new ATOM 0 HG22 VAL A 158 4.246 -7.001 3.006 1.00 41.52 H new ATOM 0 HG23 VAL A 158 4.050 -7.729 4.619 1.00 41.52 H new ATOM 1966 N LEU A 159 4.480 -10.648 3.714 1.00 21.50 N ATOM 1967 CA LEU A 159 3.652 -11.577 4.493 1.00 1.04 C ATOM 1968 C LEU A 159 4.352 -12.921 4.752 1.00 23.24 C ATOM 1969 O LEU A 159 4.545 -13.722 3.835 1.00 63.01 O ATOM 1970 CB LEU A 159 2.316 -11.826 3.768 1.00 30.04 C ATOM 1971 CG LEU A 159 1.323 -10.650 3.788 1.00 1.11 C ATOM 1972 CD1 LEU A 159 0.114 -10.943 2.901 1.00 44.42 C ATOM 1973 CD2 LEU A 159 0.879 -10.344 5.219 1.00 40.22 C ATOM 0 H LEU A 159 4.235 -10.600 2.725 1.00 21.50 H new ATOM 0 HA LEU A 159 3.475 -11.108 5.461 1.00 1.04 H new ATOM 0 HB2 LEU A 159 2.528 -12.082 2.730 1.00 30.04 H new ATOM 0 HB3 LEU A 159 1.834 -12.694 4.219 1.00 30.04 H new ATOM 0 HG LEU A 159 1.831 -9.771 3.390 1.00 1.11 H new ATOM 0 HD11 LEU A 159 -0.573 -10.097 2.932 1.00 44.42 H new ATOM 0 HD12 LEU A 159 0.446 -11.104 1.875 1.00 44.42 H new ATOM 0 HD13 LEU A 159 -0.394 -11.837 3.262 1.00 44.42 H new ATOM 0 HD21 LEU A 159 0.177 -9.510 5.212 1.00 40.22 H new ATOM 0 HD22 LEU A 159 0.394 -11.222 5.645 1.00 40.22 H new ATOM 0 HD23 LEU A 159 1.749 -10.081 5.821 1.00 40.22 H new