USER MOD reduce.3.24.130724 H: found=0, std=0, add=1184, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1184 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 80 THR OG1 : rot -135:sc= 0.075 USER MOD Set 1.2: A 109 HIS : no HD1:sc= -1.62 K(o=-1.5,f=-5!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 163:sc= 1.03 (180deg=0.804) USER MOD Single : A 13 SER OG : rot 180:sc= -0.392 USER MOD Single : A 15 SER OG : rot 180:sc= -0.234 USER MOD Single : A 25 LYS NZ :NH3+ -118:sc= 0.32 (180deg=-0.268) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.391 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -59:sc= 0.163 USER MOD Single : A 53 HIS : no HD1:sc= -0.471 K(o=-0.47,f=-0.97) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.066 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 167:sc= 0.685 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -164:sc= -0.065 (180deg=-0.422) USER MOD Single : A 66 THR OG1 : rot -163:sc= -0.259 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0111 USER MOD Single : A 72 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0194) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HE2:sc= -0.297 K(o=-0.27,f=-1.7) USER MOD Single : A 98 HIS : no HD1:sc=-0.00174 X(o=-0.0017,f=0) USER MOD Single : A 108 THR OG1 : rot 140:sc= 0.0904 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=0.19) USER MOD Single : A 121 THR OG1 : rot 85:sc= 0.41 USER MOD Single : A 123 MET CE :methyl 148:sc= -0.262 (180deg=-1.67) USER MOD Single : A 124 THR OG1 : rot 180:sc= -0.0212 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot -80:sc= -0.728 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 134 GLN : amide:sc= -0.586 K(o=-0.59,f=-1.9) USER MOD Single : A 135 MET CE :methyl -149:sc= -0.0543 (180deg=-1.57) USER MOD Single : A 136 GLN : amide:sc= 0.393 K(o=0.39,f=-0.21) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 MET CE :methyl 163:sc= -0.598 (180deg=-1.18) USER MOD Single : A 141 MET CE :methyl -164:sc= -0.0425 (180deg=-0.427) USER MOD Single : A 143 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 147 MET CE :methyl -119:sc= -0.473 (180deg=-2.11!) USER MOD Single : A 153 GLN :FLIP amide:sc= -0.196 F(o=-1.4,f=-0.2) USER MOD Single : A 159 SER OG : rot -51:sc= 0.122 USER MOD ----------------------------------------------------------------- ATOM 17 N VAL A 2 -9.721 0.754 -9.223 1.00 42.54 N ATOM 18 CA VAL A 2 -8.691 -0.192 -9.690 1.00 22.13 C ATOM 19 C VAL A 2 -8.952 -0.540 -11.181 1.00 73.13 C ATOM 20 O VAL A 2 -9.561 -1.561 -11.510 1.00 1.31 O ATOM 21 CB VAL A 2 -8.564 -1.469 -8.778 1.00 24.42 C ATOM 22 CG1 VAL A 2 -7.473 -2.427 -9.300 1.00 51.31 C ATOM 23 CG2 VAL A 2 -8.275 -1.068 -7.313 1.00 12.51 C ATOM 0 HA VAL A 2 -7.719 0.295 -9.611 1.00 22.13 H new ATOM 0 HB VAL A 2 -9.517 -1.996 -8.813 1.00 24.42 H new ATOM 0 HG11 VAL A 2 -7.411 -3.298 -8.648 1.00 51.31 H new ATOM 0 HG12 VAL A 2 -7.724 -2.748 -10.311 1.00 51.31 H new ATOM 0 HG13 VAL A 2 -6.512 -1.913 -9.311 1.00 51.31 H new ATOM 0 HG21 VAL A 2 -8.191 -1.965 -6.700 1.00 12.51 H new ATOM 0 HG22 VAL A 2 -7.341 -0.508 -7.267 1.00 12.51 H new ATOM 0 HG23 VAL A 2 -9.089 -0.447 -6.938 1.00 12.51 H new ATOM 33 N VAL A 3 -8.549 0.389 -12.063 1.00 72.52 N ATOM 34 CA VAL A 3 -8.858 0.340 -13.514 1.00 24.45 C ATOM 35 C VAL A 3 -8.003 -0.703 -14.280 1.00 45.44 C ATOM 36 O VAL A 3 -8.362 -1.111 -15.390 1.00 74.21 O ATOM 37 CB VAL A 3 -8.713 1.773 -14.158 1.00 11.14 C ATOM 38 CG1 VAL A 3 -9.744 2.762 -13.552 1.00 72.23 C ATOM 39 CG2 VAL A 3 -7.273 2.328 -13.997 1.00 31.31 C ATOM 0 H VAL A 3 -7.996 1.203 -11.795 1.00 72.52 H new ATOM 0 HA VAL A 3 -9.894 0.013 -13.606 1.00 24.45 H new ATOM 0 HB VAL A 3 -8.916 1.671 -15.224 1.00 11.14 H new ATOM 0 HG11 VAL A 3 -9.623 3.742 -14.013 1.00 72.23 H new ATOM 0 HG12 VAL A 3 -10.753 2.395 -13.739 1.00 72.23 H new ATOM 0 HG13 VAL A 3 -9.581 2.844 -12.477 1.00 72.23 H new ATOM 0 HG21 VAL A 3 -7.211 3.316 -14.452 1.00 31.31 H new ATOM 0 HG22 VAL A 3 -7.027 2.401 -12.938 1.00 31.31 H new ATOM 0 HG23 VAL A 3 -6.568 1.657 -14.488 1.00 31.31 H new ATOM 49 N SER A 4 -6.876 -1.124 -13.676 1.00 52.33 N ATOM 50 CA SER A 4 -5.983 -2.164 -14.237 1.00 72.15 C ATOM 51 C SER A 4 -5.091 -2.755 -13.126 1.00 45.42 C ATOM 52 O SER A 4 -4.777 -2.072 -12.151 1.00 31.55 O ATOM 53 CB SER A 4 -5.102 -1.573 -15.364 1.00 51.33 C ATOM 54 OG SER A 4 -4.274 -2.561 -15.960 1.00 24.50 O ATOM 0 H SER A 4 -6.555 -0.753 -12.782 1.00 52.33 H new ATOM 0 HA SER A 4 -6.600 -2.958 -14.657 1.00 72.15 H new ATOM 0 HB2 SER A 4 -5.739 -1.125 -16.126 1.00 51.33 H new ATOM 0 HB3 SER A 4 -4.481 -0.775 -14.959 1.00 51.33 H new ATOM 0 HG SER A 4 -3.734 -2.152 -16.668 1.00 24.50 H new ATOM 60 N VAL A 5 -4.715 -4.042 -13.264 1.00 72.33 N ATOM 61 CA VAL A 5 -3.786 -4.729 -12.327 1.00 54.45 C ATOM 62 C VAL A 5 -2.682 -5.469 -13.114 1.00 73.02 C ATOM 63 O VAL A 5 -2.936 -6.509 -13.731 1.00 42.55 O ATOM 64 CB VAL A 5 -4.522 -5.764 -11.385 1.00 60.41 C ATOM 65 CG1 VAL A 5 -3.547 -6.377 -10.340 1.00 31.11 C ATOM 66 CG2 VAL A 5 -5.733 -5.128 -10.680 1.00 12.30 C ATOM 0 H VAL A 5 -5.042 -4.638 -14.024 1.00 72.33 H new ATOM 0 HA VAL A 5 -3.352 -3.952 -11.698 1.00 54.45 H new ATOM 0 HB VAL A 5 -4.887 -6.569 -12.023 1.00 60.41 H new ATOM 0 HG11 VAL A 5 -4.087 -7.084 -9.710 1.00 31.11 H new ATOM 0 HG12 VAL A 5 -2.739 -6.895 -10.856 1.00 31.11 H new ATOM 0 HG13 VAL A 5 -3.131 -5.582 -9.721 1.00 31.11 H new ATOM 0 HG21 VAL A 5 -6.213 -5.870 -10.042 1.00 12.30 H new ATOM 0 HG22 VAL A 5 -5.400 -4.287 -10.072 1.00 12.30 H new ATOM 0 HG23 VAL A 5 -6.445 -4.776 -11.426 1.00 12.30 H new ATOM 76 N ASP A 6 -1.471 -4.910 -13.107 1.00 12.52 N ATOM 77 CA ASP A 6 -0.271 -5.557 -13.672 1.00 4.11 C ATOM 78 C ASP A 6 0.358 -6.517 -12.639 1.00 63.22 C ATOM 79 O ASP A 6 0.532 -6.153 -11.474 1.00 20.21 O ATOM 80 CB ASP A 6 0.772 -4.483 -14.067 1.00 22.55 C ATOM 81 CG ASP A 6 0.174 -3.384 -14.952 1.00 30.32 C ATOM 82 OD1 ASP A 6 0.111 -3.568 -16.188 1.00 22.42 O ATOM 83 OD2 ASP A 6 -0.251 -2.343 -14.408 1.00 53.21 O ATOM 0 H ASP A 6 -1.287 -3.989 -12.708 1.00 12.52 H new ATOM 0 HA ASP A 6 -0.568 -6.123 -14.555 1.00 4.11 H new ATOM 0 HB2 ASP A 6 1.186 -4.033 -13.164 1.00 22.55 H new ATOM 0 HB3 ASP A 6 1.599 -4.960 -14.594 1.00 22.55 H new ATOM 88 N LYS A 7 0.670 -7.746 -13.061 1.00 4.13 N ATOM 89 CA LYS A 7 1.464 -8.697 -12.256 1.00 23.40 C ATOM 90 C LYS A 7 2.535 -9.370 -13.140 1.00 43.23 C ATOM 91 O LYS A 7 2.215 -9.923 -14.198 1.00 61.13 O ATOM 92 CB LYS A 7 0.547 -9.771 -11.620 1.00 5.21 C ATOM 93 CG LYS A 7 1.283 -10.767 -10.693 1.00 73.34 C ATOM 94 CD LYS A 7 0.369 -11.898 -10.176 1.00 72.44 C ATOM 95 CE LYS A 7 1.120 -12.891 -9.275 1.00 20.05 C ATOM 96 NZ LYS A 7 0.260 -14.027 -8.873 1.00 25.23 N ATOM 0 H LYS A 7 0.383 -8.115 -13.967 1.00 4.13 H new ATOM 0 HA LYS A 7 1.957 -8.147 -11.455 1.00 23.40 H new ATOM 0 HB2 LYS A 7 -0.236 -9.272 -11.049 1.00 5.21 H new ATOM 0 HB3 LYS A 7 0.054 -10.329 -12.416 1.00 5.21 H new ATOM 0 HG2 LYS A 7 2.123 -11.204 -11.233 1.00 73.34 H new ATOM 0 HG3 LYS A 7 1.698 -10.225 -9.843 1.00 73.34 H new ATOM 0 HD2 LYS A 7 -0.463 -11.464 -9.620 1.00 72.44 H new ATOM 0 HD3 LYS A 7 -0.059 -12.433 -11.024 1.00 72.44 H new ATOM 0 HE2 LYS A 7 1.997 -13.268 -9.801 1.00 20.05 H new ATOM 0 HE3 LYS A 7 1.479 -12.374 -8.385 1.00 20.05 H new ATOM 0 HZ1 LYS A 7 0.854 -14.804 -8.520 1.00 25.23 H new ATOM 0 HZ2 LYS A 7 -0.391 -13.721 -8.122 1.00 25.23 H new ATOM 0 HZ3 LYS A 7 -0.288 -14.355 -9.694 1.00 25.23 H new ATOM 110 N ASP A 8 3.803 -9.334 -12.692 1.00 32.35 N ATOM 111 CA ASP A 8 4.912 -10.035 -13.369 1.00 11.33 C ATOM 112 C ASP A 8 5.718 -10.844 -12.324 1.00 64.35 C ATOM 113 O ASP A 8 6.422 -10.272 -11.485 1.00 42.34 O ATOM 114 CB ASP A 8 5.821 -9.028 -14.131 1.00 74.51 C ATOM 115 CG ASP A 8 6.638 -9.685 -15.269 1.00 54.40 C ATOM 116 OD1 ASP A 8 7.372 -10.661 -15.007 1.00 15.23 O ATOM 117 OD2 ASP A 8 6.526 -9.255 -16.436 1.00 62.43 O ATOM 0 H ASP A 8 4.088 -8.822 -11.857 1.00 32.35 H new ATOM 0 HA ASP A 8 4.505 -10.724 -14.109 1.00 11.33 H new ATOM 0 HB2 ASP A 8 5.202 -8.234 -14.549 1.00 74.51 H new ATOM 0 HB3 ASP A 8 6.506 -8.560 -13.424 1.00 74.51 H new ATOM 122 N VAL A 9 5.596 -12.179 -12.400 1.00 74.35 N ATOM 123 CA VAL A 9 6.268 -13.128 -11.483 1.00 52.41 C ATOM 124 C VAL A 9 7.784 -13.224 -11.782 1.00 54.44 C ATOM 125 O VAL A 9 8.598 -13.408 -10.870 1.00 21.50 O ATOM 126 CB VAL A 9 5.583 -14.547 -11.578 1.00 11.20 C ATOM 127 CG1 VAL A 9 6.282 -15.607 -10.684 1.00 14.30 C ATOM 128 CG2 VAL A 9 4.073 -14.437 -11.235 1.00 11.33 C ATOM 0 H VAL A 9 5.022 -12.640 -13.106 1.00 74.35 H new ATOM 0 HA VAL A 9 6.161 -12.754 -10.465 1.00 52.41 H new ATOM 0 HB VAL A 9 5.689 -14.892 -12.607 1.00 11.20 H new ATOM 0 HG11 VAL A 9 5.771 -16.564 -10.787 1.00 14.30 H new ATOM 0 HG12 VAL A 9 7.321 -15.716 -10.993 1.00 14.30 H new ATOM 0 HG13 VAL A 9 6.245 -15.286 -9.643 1.00 14.30 H new ATOM 0 HG21 VAL A 9 3.612 -15.422 -11.304 1.00 11.33 H new ATOM 0 HG22 VAL A 9 3.957 -14.052 -10.222 1.00 11.33 H new ATOM 0 HG23 VAL A 9 3.589 -13.759 -11.938 1.00 11.33 H new ATOM 138 N GLU A 10 8.153 -13.057 -13.061 1.00 63.30 N ATOM 139 CA GLU A 10 9.557 -13.164 -13.519 1.00 14.11 C ATOM 140 C GLU A 10 10.380 -11.926 -13.089 1.00 3.32 C ATOM 141 O GLU A 10 11.525 -12.048 -12.647 1.00 22.53 O ATOM 142 CB GLU A 10 9.586 -13.349 -15.061 1.00 13.44 C ATOM 143 CG GLU A 10 8.685 -14.491 -15.590 1.00 31.42 C ATOM 144 CD GLU A 10 8.980 -15.851 -14.933 1.00 50.11 C ATOM 145 OE1 GLU A 10 9.977 -16.498 -15.314 1.00 54.23 O ATOM 146 OE2 GLU A 10 8.224 -16.274 -14.030 1.00 64.42 O ATOM 0 H GLU A 10 7.493 -12.844 -13.809 1.00 63.30 H new ATOM 0 HA GLU A 10 10.017 -14.034 -13.050 1.00 14.11 H new ATOM 0 HB2 GLU A 10 9.280 -12.415 -15.532 1.00 13.44 H new ATOM 0 HB3 GLU A 10 10.613 -13.541 -15.372 1.00 13.44 H new ATOM 0 HG2 GLU A 10 7.641 -14.231 -15.417 1.00 31.42 H new ATOM 0 HG3 GLU A 10 8.817 -14.580 -16.668 1.00 31.42 H new ATOM 153 N ALA A 11 9.762 -10.739 -13.207 1.00 52.41 N ATOM 154 CA ALA A 11 10.362 -9.449 -12.788 1.00 64.01 C ATOM 155 C ALA A 11 10.098 -9.145 -11.290 1.00 45.21 C ATOM 156 O ALA A 11 10.596 -8.140 -10.767 1.00 65.42 O ATOM 157 CB ALA A 11 9.819 -8.311 -13.672 1.00 30.20 C ATOM 0 H ALA A 11 8.825 -10.641 -13.598 1.00 52.41 H new ATOM 0 HA ALA A 11 11.442 -9.525 -12.915 1.00 64.01 H new ATOM 0 HB1 ALA A 11 10.262 -7.365 -13.361 1.00 30.20 H new ATOM 0 HB2 ALA A 11 10.074 -8.506 -14.714 1.00 30.20 H new ATOM 0 HB3 ALA A 11 8.735 -8.255 -13.568 1.00 30.20 H new ATOM 163 N LEU A 12 9.303 -10.022 -10.627 1.00 63.53 N ATOM 164 CA LEU A 12 8.945 -9.914 -9.186 1.00 13.12 C ATOM 165 C LEU A 12 8.220 -8.596 -8.833 1.00 43.31 C ATOM 166 O LEU A 12 8.319 -8.110 -7.713 1.00 71.11 O ATOM 167 CB LEU A 12 10.208 -10.135 -8.297 1.00 13.24 C ATOM 168 CG LEU A 12 10.820 -11.562 -8.371 1.00 54.23 C ATOM 169 CD1 LEU A 12 12.113 -11.677 -7.533 1.00 11.23 C ATOM 170 CD2 LEU A 12 9.772 -12.607 -7.942 1.00 4.04 C ATOM 0 H LEU A 12 8.886 -10.835 -11.082 1.00 63.53 H new ATOM 0 HA LEU A 12 8.226 -10.705 -8.976 1.00 13.12 H new ATOM 0 HB2 LEU A 12 10.971 -9.413 -8.589 1.00 13.24 H new ATOM 0 HB3 LEU A 12 9.947 -9.921 -7.261 1.00 13.24 H new ATOM 0 HG LEU A 12 11.102 -11.759 -9.405 1.00 54.23 H new ATOM 0 HD11 LEU A 12 12.509 -12.690 -7.612 1.00 11.23 H new ATOM 0 HD12 LEU A 12 12.853 -10.968 -7.906 1.00 11.23 H new ATOM 0 HD13 LEU A 12 11.891 -11.454 -6.489 1.00 11.23 H new ATOM 0 HD21 LEU A 12 10.209 -13.604 -7.997 1.00 4.04 H new ATOM 0 HD22 LEU A 12 9.455 -12.405 -6.919 1.00 4.04 H new ATOM 0 HD23 LEU A 12 8.910 -12.552 -8.607 1.00 4.04 H new ATOM 182 N SER A 13 7.448 -8.054 -9.777 1.00 63.10 N ATOM 183 CA SER A 13 6.692 -6.799 -9.577 1.00 24.50 C ATOM 184 C SER A 13 5.182 -7.070 -9.533 1.00 44.35 C ATOM 185 O SER A 13 4.693 -8.063 -10.091 1.00 12.33 O ATOM 186 CB SER A 13 6.996 -5.801 -10.711 1.00 53.41 C ATOM 187 OG SER A 13 6.276 -4.587 -10.556 1.00 23.21 O ATOM 0 H SER A 13 7.324 -8.465 -10.702 1.00 63.10 H new ATOM 0 HA SER A 13 7.003 -6.372 -8.624 1.00 24.50 H new ATOM 0 HB2 SER A 13 8.065 -5.589 -10.731 1.00 53.41 H new ATOM 0 HB3 SER A 13 6.743 -6.253 -11.670 1.00 53.41 H new ATOM 0 HG SER A 13 6.496 -3.980 -11.293 1.00 23.21 H new ATOM 193 N PHE A 14 4.451 -6.169 -8.871 1.00 11.23 N ATOM 194 CA PHE A 14 2.985 -6.206 -8.806 1.00 11.23 C ATOM 195 C PHE A 14 2.442 -4.757 -8.731 1.00 45.33 C ATOM 196 O PHE A 14 2.466 -4.129 -7.676 1.00 5.41 O ATOM 197 CB PHE A 14 2.569 -7.060 -7.579 1.00 31.13 C ATOM 198 CG PHE A 14 1.071 -7.212 -7.376 1.00 34.35 C ATOM 199 CD1 PHE A 14 0.269 -7.738 -8.389 1.00 42.14 C ATOM 200 CD2 PHE A 14 0.462 -6.839 -6.180 1.00 55.12 C ATOM 201 CE1 PHE A 14 -1.087 -7.885 -8.210 1.00 34.23 C ATOM 202 CE2 PHE A 14 -0.894 -6.986 -6.004 1.00 74.51 C ATOM 203 CZ PHE A 14 -1.670 -7.504 -7.022 1.00 11.33 C ATOM 0 H PHE A 14 4.862 -5.387 -8.361 1.00 11.23 H new ATOM 0 HA PHE A 14 2.559 -6.666 -9.697 1.00 11.23 H new ATOM 0 HB2 PHE A 14 3.008 -8.052 -7.681 1.00 31.13 H new ATOM 0 HB3 PHE A 14 2.998 -6.612 -6.682 1.00 31.13 H new ATOM 0 HD1 PHE A 14 0.718 -8.034 -9.326 1.00 42.14 H new ATOM 0 HD2 PHE A 14 1.062 -6.429 -5.381 1.00 55.12 H new ATOM 0 HE1 PHE A 14 -1.694 -8.299 -9.001 1.00 34.23 H new ATOM 0 HE2 PHE A 14 -1.352 -6.696 -5.070 1.00 74.51 H new ATOM 0 HZ PHE A 14 -2.736 -7.611 -6.886 1.00 11.33 H new ATOM 213 N SER A 15 1.935 -4.248 -9.862 1.00 34.30 N ATOM 214 CA SER A 15 1.535 -2.830 -10.016 1.00 32.13 C ATOM 215 C SER A 15 0.001 -2.697 -10.120 1.00 72.40 C ATOM 216 O SER A 15 -0.600 -3.174 -11.077 1.00 60.14 O ATOM 217 CB SER A 15 2.219 -2.228 -11.272 1.00 1.21 C ATOM 218 OG SER A 15 3.629 -2.430 -11.249 1.00 51.41 O ATOM 0 H SER A 15 1.787 -4.805 -10.703 1.00 34.30 H new ATOM 0 HA SER A 15 1.858 -2.278 -9.133 1.00 32.13 H new ATOM 0 HB2 SER A 15 1.800 -2.684 -12.169 1.00 1.21 H new ATOM 0 HB3 SER A 15 2.005 -1.161 -11.327 1.00 1.21 H new ATOM 0 HG SER A 15 4.028 -2.041 -12.055 1.00 51.41 H new ATOM 224 N ILE A 16 -0.632 -2.046 -9.131 1.00 1.23 N ATOM 225 CA ILE A 16 -2.099 -1.839 -9.110 1.00 3.34 C ATOM 226 C ILE A 16 -2.432 -0.389 -9.513 1.00 11.01 C ATOM 227 O ILE A 16 -2.090 0.555 -8.793 1.00 45.52 O ATOM 228 CB ILE A 16 -2.695 -2.154 -7.688 1.00 63.23 C ATOM 229 CG1 ILE A 16 -2.371 -3.625 -7.280 1.00 32.33 C ATOM 230 CG2 ILE A 16 -4.227 -1.885 -7.638 1.00 55.54 C ATOM 231 CD1 ILE A 16 -2.783 -3.996 -5.869 1.00 22.24 C ATOM 0 H ILE A 16 -0.149 -1.648 -8.325 1.00 1.23 H new ATOM 0 HA ILE A 16 -2.550 -2.525 -9.827 1.00 3.34 H new ATOM 0 HB ILE A 16 -2.226 -1.483 -6.969 1.00 63.23 H new ATOM 0 HG12 ILE A 16 -2.867 -4.299 -7.978 1.00 32.33 H new ATOM 0 HG13 ILE A 16 -1.299 -3.789 -7.386 1.00 32.33 H new ATOM 0 HG21 ILE A 16 -4.604 -2.113 -6.641 1.00 55.54 H new ATOM 0 HG22 ILE A 16 -4.420 -0.837 -7.868 1.00 55.54 H new ATOM 0 HG23 ILE A 16 -4.731 -2.516 -8.370 1.00 55.54 H new ATOM 0 HD11 ILE A 16 -2.519 -5.035 -5.674 1.00 22.24 H new ATOM 0 HD12 ILE A 16 -2.267 -3.351 -5.158 1.00 22.24 H new ATOM 0 HD13 ILE A 16 -3.860 -3.869 -5.759 1.00 22.24 H new ATOM 243 N VAL A 17 -3.107 -0.234 -10.661 1.00 30.44 N ATOM 244 CA VAL A 17 -3.469 1.075 -11.230 1.00 24.23 C ATOM 245 C VAL A 17 -4.952 1.390 -10.924 1.00 51.11 C ATOM 246 O VAL A 17 -5.835 0.585 -11.217 1.00 72.12 O ATOM 247 CB VAL A 17 -3.246 1.107 -12.791 1.00 12.03 C ATOM 248 CG1 VAL A 17 -3.457 2.539 -13.356 1.00 44.11 C ATOM 249 CG2 VAL A 17 -1.850 0.552 -13.169 1.00 64.11 C ATOM 0 H VAL A 17 -3.421 -1.022 -11.228 1.00 30.44 H new ATOM 0 HA VAL A 17 -2.824 1.825 -10.773 1.00 24.23 H new ATOM 0 HB VAL A 17 -3.992 0.457 -13.248 1.00 12.03 H new ATOM 0 HG11 VAL A 17 -3.297 2.532 -14.434 1.00 44.11 H new ATOM 0 HG12 VAL A 17 -4.474 2.868 -13.142 1.00 44.11 H new ATOM 0 HG13 VAL A 17 -2.748 3.223 -12.888 1.00 44.11 H new ATOM 0 HG21 VAL A 17 -1.725 0.587 -14.251 1.00 64.11 H new ATOM 0 HG22 VAL A 17 -1.077 1.157 -12.695 1.00 64.11 H new ATOM 0 HG23 VAL A 17 -1.764 -0.479 -12.827 1.00 64.11 H new ATOM 259 N ALA A 18 -5.207 2.570 -10.357 1.00 34.45 N ATOM 260 CA ALA A 18 -6.559 3.054 -10.016 1.00 24.53 C ATOM 261 C ALA A 18 -6.679 4.550 -10.352 1.00 61.22 C ATOM 262 O ALA A 18 -5.670 5.253 -10.419 1.00 42.34 O ATOM 263 CB ALA A 18 -6.845 2.801 -8.526 1.00 40.01 C ATOM 0 H ALA A 18 -4.471 3.233 -10.115 1.00 34.45 H new ATOM 0 HA ALA A 18 -7.298 2.510 -10.604 1.00 24.53 H new ATOM 0 HB1 ALA A 18 -7.844 3.161 -8.281 1.00 40.01 H new ATOM 0 HB2 ALA A 18 -6.783 1.732 -8.320 1.00 40.01 H new ATOM 0 HB3 ALA A 18 -6.110 3.330 -7.919 1.00 40.01 H new ATOM 269 N GLU A 19 -7.911 5.041 -10.566 1.00 35.22 N ATOM 270 CA GLU A 19 -8.170 6.472 -10.880 1.00 35.32 C ATOM 271 C GLU A 19 -9.237 7.031 -9.936 1.00 21.23 C ATOM 272 O GLU A 19 -10.276 6.413 -9.727 1.00 32.23 O ATOM 273 CB GLU A 19 -8.609 6.648 -12.357 1.00 60.01 C ATOM 274 CG GLU A 19 -7.563 6.173 -13.385 1.00 12.52 C ATOM 275 CD GLU A 19 -7.975 6.452 -14.832 1.00 63.51 C ATOM 276 OE1 GLU A 19 -8.926 5.814 -15.324 1.00 73.35 O ATOM 277 OE2 GLU A 19 -7.368 7.330 -15.478 1.00 73.54 O ATOM 0 H GLU A 19 -8.755 4.469 -10.529 1.00 35.22 H new ATOM 0 HA GLU A 19 -7.243 7.027 -10.737 1.00 35.32 H new ATOM 0 HB2 GLU A 19 -9.536 6.098 -12.517 1.00 60.01 H new ATOM 0 HB3 GLU A 19 -8.828 7.701 -12.537 1.00 60.01 H new ATOM 0 HG2 GLU A 19 -6.613 6.667 -13.182 1.00 12.52 H new ATOM 0 HG3 GLU A 19 -7.399 5.103 -13.260 1.00 12.52 H new ATOM 284 N PHE A 20 -8.970 8.207 -9.365 1.00 3.24 N ATOM 285 CA PHE A 20 -9.845 8.841 -8.359 1.00 72.32 C ATOM 286 C PHE A 20 -10.221 10.262 -8.814 1.00 34.04 C ATOM 287 O PHE A 20 -9.345 11.019 -9.249 1.00 11.31 O ATOM 288 CB PHE A 20 -9.135 8.863 -6.975 1.00 21.33 C ATOM 289 CG PHE A 20 -8.606 7.492 -6.549 1.00 11.30 C ATOM 290 CD1 PHE A 20 -9.481 6.477 -6.164 1.00 42.13 C ATOM 291 CD2 PHE A 20 -7.239 7.206 -6.569 1.00 20.51 C ATOM 292 CE1 PHE A 20 -9.003 5.229 -5.817 1.00 14.02 C ATOM 293 CE2 PHE A 20 -6.766 5.959 -6.212 1.00 61.14 C ATOM 294 CZ PHE A 20 -7.650 4.972 -5.838 1.00 72.33 C ATOM 0 H PHE A 20 -8.138 8.755 -9.584 1.00 3.24 H new ATOM 0 HA PHE A 20 -10.763 8.261 -8.259 1.00 72.32 H new ATOM 0 HB2 PHE A 20 -8.307 9.570 -7.010 1.00 21.33 H new ATOM 0 HB3 PHE A 20 -9.833 9.227 -6.221 1.00 21.33 H new ATOM 0 HD1 PHE A 20 -10.543 6.669 -6.137 1.00 42.13 H new ATOM 0 HD2 PHE A 20 -6.540 7.973 -6.869 1.00 20.51 H new ATOM 0 HE1 PHE A 20 -9.693 4.451 -5.528 1.00 14.02 H new ATOM 0 HE2 PHE A 20 -5.705 5.758 -6.226 1.00 61.14 H new ATOM 0 HZ PHE A 20 -7.282 3.995 -5.561 1.00 72.33 H new ATOM 304 N ASP A 21 -11.523 10.617 -8.739 1.00 52.21 N ATOM 305 CA ASP A 21 -12.004 11.956 -9.137 1.00 1.30 C ATOM 306 C ASP A 21 -11.687 12.984 -8.016 1.00 1.23 C ATOM 307 O ASP A 21 -12.512 13.254 -7.132 1.00 21.21 O ATOM 308 CB ASP A 21 -13.518 11.912 -9.482 1.00 2.04 C ATOM 309 CG ASP A 21 -14.032 13.245 -10.054 1.00 43.22 C ATOM 310 OD1 ASP A 21 -13.775 13.530 -11.243 1.00 4.30 O ATOM 311 OD2 ASP A 21 -14.692 14.015 -9.322 1.00 22.13 O ATOM 0 H ASP A 21 -12.259 9.994 -8.406 1.00 52.21 H new ATOM 0 HA ASP A 21 -11.482 12.276 -10.039 1.00 1.30 H new ATOM 0 HB2 ASP A 21 -13.700 11.116 -10.205 1.00 2.04 H new ATOM 0 HB3 ASP A 21 -14.085 11.663 -8.585 1.00 2.04 H new ATOM 316 N ALA A 22 -10.453 13.507 -8.067 1.00 52.43 N ATOM 317 CA ALA A 22 -9.874 14.418 -7.054 1.00 5.31 C ATOM 318 C ALA A 22 -8.460 14.839 -7.501 1.00 71.24 C ATOM 319 O ALA A 22 -7.880 14.216 -8.395 1.00 52.22 O ATOM 320 CB ALA A 22 -9.814 13.737 -5.671 1.00 33.32 C ATOM 0 H ALA A 22 -9.809 13.306 -8.832 1.00 52.43 H new ATOM 0 HA ALA A 22 -10.509 15.299 -6.966 1.00 5.31 H new ATOM 0 HB1 ALA A 22 -9.385 14.427 -4.944 1.00 33.32 H new ATOM 0 HB2 ALA A 22 -10.821 13.460 -5.358 1.00 33.32 H new ATOM 0 HB3 ALA A 22 -9.194 12.843 -5.732 1.00 33.32 H new ATOM 326 N ASP A 23 -7.882 15.864 -6.853 1.00 14.43 N ATOM 327 CA ASP A 23 -6.530 16.356 -7.210 1.00 52.34 C ATOM 328 C ASP A 23 -5.435 15.485 -6.558 1.00 72.33 C ATOM 329 O ASP A 23 -5.719 14.649 -5.681 1.00 23.31 O ATOM 330 CB ASP A 23 -6.354 17.841 -6.816 1.00 41.33 C ATOM 331 CG ASP A 23 -6.610 18.102 -5.324 1.00 30.42 C ATOM 332 OD1 ASP A 23 -7.771 18.349 -4.950 1.00 23.41 O ATOM 333 OD2 ASP A 23 -5.652 18.051 -4.521 1.00 64.10 O ATOM 0 H ASP A 23 -8.322 16.369 -6.083 1.00 14.43 H new ATOM 0 HA ASP A 23 -6.425 16.280 -8.292 1.00 52.34 H new ATOM 0 HB2 ASP A 23 -5.342 18.160 -7.066 1.00 41.33 H new ATOM 0 HB3 ASP A 23 -7.036 18.451 -7.408 1.00 41.33 H new ATOM 338 N VAL A 24 -4.187 15.719 -6.990 1.00 24.35 N ATOM 339 CA VAL A 24 -3.003 14.935 -6.574 1.00 14.11 C ATOM 340 C VAL A 24 -2.794 14.959 -5.041 1.00 45.35 C ATOM 341 O VAL A 24 -2.570 13.919 -4.435 1.00 54.32 O ATOM 342 CB VAL A 24 -1.714 15.460 -7.308 1.00 44.35 C ATOM 343 CG1 VAL A 24 -0.457 14.643 -6.929 1.00 45.12 C ATOM 344 CG2 VAL A 24 -1.912 15.454 -8.839 1.00 22.25 C ATOM 0 H VAL A 24 -3.963 16.467 -7.647 1.00 24.35 H new ATOM 0 HA VAL A 24 -3.185 13.899 -6.860 1.00 14.11 H new ATOM 0 HB VAL A 24 -1.555 16.486 -6.976 1.00 44.35 H new ATOM 0 HG11 VAL A 24 0.409 15.040 -7.459 1.00 45.12 H new ATOM 0 HG12 VAL A 24 -0.288 14.713 -5.854 1.00 45.12 H new ATOM 0 HG13 VAL A 24 -0.604 13.599 -7.206 1.00 45.12 H new ATOM 0 HG21 VAL A 24 -1.008 15.821 -9.324 1.00 22.25 H new ATOM 0 HG22 VAL A 24 -2.117 14.438 -9.175 1.00 22.25 H new ATOM 0 HG23 VAL A 24 -2.751 16.099 -9.100 1.00 22.25 H new ATOM 354 N LYS A 25 -2.910 16.153 -4.435 1.00 73.44 N ATOM 355 CA LYS A 25 -2.771 16.340 -2.965 1.00 3.14 C ATOM 356 C LYS A 25 -3.910 15.656 -2.167 1.00 74.53 C ATOM 357 O LYS A 25 -3.682 15.169 -1.056 1.00 60.25 O ATOM 358 CB LYS A 25 -2.698 17.861 -2.609 1.00 33.44 C ATOM 359 CG LYS A 25 -1.288 18.523 -2.735 1.00 55.24 C ATOM 360 CD LYS A 25 -0.502 18.589 -1.389 1.00 41.00 C ATOM 361 CE LYS A 25 -0.139 17.211 -0.807 1.00 74.33 C ATOM 362 NZ LYS A 25 0.546 17.313 0.501 1.00 31.33 N ATOM 0 H LYS A 25 -3.102 17.018 -4.941 1.00 73.44 H new ATOM 0 HA LYS A 25 -1.839 15.856 -2.673 1.00 3.14 H new ATOM 0 HB2 LYS A 25 -3.390 18.400 -3.256 1.00 33.44 H new ATOM 0 HB3 LYS A 25 -3.050 17.992 -1.586 1.00 33.44 H new ATOM 0 HG2 LYS A 25 -0.698 17.965 -3.462 1.00 55.24 H new ATOM 0 HG3 LYS A 25 -1.405 19.533 -3.127 1.00 55.24 H new ATOM 0 HD2 LYS A 25 0.414 19.160 -1.543 1.00 41.00 H new ATOM 0 HD3 LYS A 25 -1.099 19.135 -0.658 1.00 41.00 H new ATOM 0 HE2 LYS A 25 -1.046 16.617 -0.694 1.00 74.33 H new ATOM 0 HE3 LYS A 25 0.503 16.681 -1.510 1.00 74.33 H new ATOM 0 HZ1 LYS A 25 1.501 16.909 0.425 1.00 31.33 H new ATOM 0 HZ2 LYS A 25 0.614 18.312 0.781 1.00 31.33 H new ATOM 0 HZ3 LYS A 25 0.005 16.789 1.218 1.00 31.33 H new ATOM 376 N ARG A 26 -5.123 15.622 -2.747 1.00 1.41 N ATOM 377 CA ARG A 26 -6.304 14.997 -2.106 1.00 54.20 C ATOM 378 C ARG A 26 -6.118 13.462 -1.984 1.00 13.44 C ATOM 379 O ARG A 26 -6.407 12.870 -0.937 1.00 0.24 O ATOM 380 CB ARG A 26 -7.586 15.331 -2.905 1.00 43.54 C ATOM 381 CG ARG A 26 -8.895 14.777 -2.294 1.00 43.15 C ATOM 382 CD ARG A 26 -9.233 15.380 -0.919 1.00 21.10 C ATOM 383 NE ARG A 26 -10.483 14.832 -0.375 1.00 32.21 N ATOM 384 CZ ARG A 26 -11.696 15.263 -0.650 1.00 71.30 C ATOM 385 NH1 ARG A 26 -11.903 16.262 -1.458 1.00 63.32 N ATOM 386 NH2 ARG A 26 -12.714 14.690 -0.103 1.00 70.31 N ATOM 0 H ARG A 26 -5.316 16.022 -3.665 1.00 1.41 H new ATOM 0 HA ARG A 26 -6.406 15.404 -1.100 1.00 54.20 H new ATOM 0 HB2 ARG A 26 -7.672 16.414 -2.991 1.00 43.54 H new ATOM 0 HB3 ARG A 26 -7.479 14.939 -3.916 1.00 43.54 H new ATOM 0 HG2 ARG A 26 -9.719 14.973 -2.980 1.00 43.15 H new ATOM 0 HG3 ARG A 26 -8.812 13.695 -2.197 1.00 43.15 H new ATOM 0 HD2 ARG A 26 -8.417 15.182 -0.225 1.00 21.10 H new ATOM 0 HD3 ARG A 26 -9.319 16.463 -1.008 1.00 21.10 H new ATOM 0 HE ARG A 26 -10.404 14.048 0.273 1.00 32.21 H new ATOM 0 HH11 ARG A 26 -11.113 16.734 -1.898 1.00 63.32 H new ATOM 0 HH12 ARG A 26 -12.855 16.573 -1.651 1.00 63.32 H new ATOM 0 HH21 ARG A 26 -12.576 13.909 0.538 1.00 70.31 H new ATOM 0 HH22 ARG A 26 -13.657 15.018 -0.311 1.00 70.31 H new ATOM 400 N VAL A 27 -5.625 12.839 -3.071 1.00 41.24 N ATOM 401 CA VAL A 27 -5.312 11.392 -3.097 1.00 32.22 C ATOM 402 C VAL A 27 -4.007 11.098 -2.304 1.00 41.23 C ATOM 403 O VAL A 27 -3.858 10.038 -1.722 1.00 75.43 O ATOM 404 CB VAL A 27 -5.194 10.845 -4.572 1.00 73.11 C ATOM 405 CG1 VAL A 27 -5.080 9.296 -4.587 1.00 10.51 C ATOM 406 CG2 VAL A 27 -6.384 11.323 -5.453 1.00 14.25 C ATOM 0 H VAL A 27 -5.433 13.317 -3.951 1.00 41.24 H new ATOM 0 HA VAL A 27 -6.140 10.871 -2.617 1.00 32.22 H new ATOM 0 HB VAL A 27 -4.279 11.255 -5.001 1.00 73.11 H new ATOM 0 HG11 VAL A 27 -5.000 8.947 -5.617 1.00 10.51 H new ATOM 0 HG12 VAL A 27 -4.194 8.991 -4.031 1.00 10.51 H new ATOM 0 HG13 VAL A 27 -5.966 8.861 -4.124 1.00 10.51 H new ATOM 0 HG21 VAL A 27 -6.271 10.928 -6.463 1.00 14.25 H new ATOM 0 HG22 VAL A 27 -7.320 10.964 -5.026 1.00 14.25 H new ATOM 0 HG23 VAL A 27 -6.396 12.412 -5.489 1.00 14.25 H new ATOM 416 N TRP A 28 -3.064 12.054 -2.304 1.00 31.03 N ATOM 417 CA TRP A 28 -1.807 11.965 -1.510 1.00 50.02 C ATOM 418 C TRP A 28 -2.083 11.949 0.007 1.00 75.15 C ATOM 419 O TRP A 28 -1.329 11.343 0.771 1.00 31.22 O ATOM 420 CB TRP A 28 -0.879 13.153 -1.866 1.00 4.42 C ATOM 421 CG TRP A 28 0.483 13.134 -1.206 1.00 25.13 C ATOM 422 CD1 TRP A 28 0.914 13.927 -0.186 1.00 13.11 C ATOM 423 CD2 TRP A 28 1.585 12.279 -1.533 1.00 31.11 C ATOM 424 NE1 TRP A 28 2.212 13.644 0.122 1.00 35.30 N ATOM 425 CE2 TRP A 28 2.650 12.635 -0.690 1.00 3.34 C ATOM 426 CE3 TRP A 28 1.779 11.262 -2.469 1.00 21.41 C ATOM 427 CZ2 TRP A 28 3.885 12.008 -0.754 1.00 2.10 C ATOM 428 CZ3 TRP A 28 3.002 10.641 -2.525 1.00 51.01 C ATOM 429 CH2 TRP A 28 4.044 11.023 -1.673 1.00 21.53 C ATOM 0 H TRP A 28 -3.142 12.912 -2.850 1.00 31.03 H new ATOM 0 HA TRP A 28 -1.319 11.024 -1.765 1.00 50.02 H new ATOM 0 HB2 TRP A 28 -0.740 13.172 -2.947 1.00 4.42 H new ATOM 0 HB3 TRP A 28 -1.383 14.080 -1.593 1.00 4.42 H new ATOM 0 HD1 TRP A 28 0.312 14.675 0.309 1.00 13.11 H new ATOM 0 HE1 TRP A 28 2.766 14.109 0.841 1.00 35.30 H new ATOM 0 HE3 TRP A 28 0.982 10.969 -3.137 1.00 21.41 H new ATOM 0 HZ2 TRP A 28 4.692 12.294 -0.095 1.00 2.10 H new ATOM 0 HZ3 TRP A 28 3.162 9.845 -3.238 1.00 51.01 H new ATOM 0 HH2 TRP A 28 4.998 10.522 -1.749 1.00 21.53 H new ATOM 440 N ALA A 29 -3.168 12.623 0.424 1.00 53.21 N ATOM 441 CA ALA A 29 -3.564 12.740 1.846 1.00 43.22 C ATOM 442 C ALA A 29 -3.867 11.368 2.509 1.00 71.54 C ATOM 443 O ALA A 29 -3.714 11.222 3.720 1.00 34.44 O ATOM 444 CB ALA A 29 -4.766 13.683 1.964 1.00 14.25 C ATOM 0 H ALA A 29 -3.800 13.105 -0.215 1.00 53.21 H new ATOM 0 HA ALA A 29 -2.715 13.153 2.390 1.00 43.22 H new ATOM 0 HB1 ALA A 29 -5.059 13.770 3.010 1.00 14.25 H new ATOM 0 HB2 ALA A 29 -4.496 14.667 1.580 1.00 14.25 H new ATOM 0 HB3 ALA A 29 -5.600 13.284 1.386 1.00 14.25 H new ATOM 450 N ILE A 30 -4.268 10.358 1.702 1.00 30.23 N ATOM 451 CA ILE A 30 -4.538 8.979 2.211 1.00 61.42 C ATOM 452 C ILE A 30 -3.217 8.235 2.575 1.00 13.25 C ATOM 453 O ILE A 30 -3.254 7.139 3.111 1.00 30.42 O ATOM 454 CB ILE A 30 -5.359 8.115 1.174 1.00 64.11 C ATOM 455 CG1 ILE A 30 -4.433 7.623 0.020 1.00 54.31 C ATOM 456 CG2 ILE A 30 -6.579 8.905 0.637 1.00 44.44 C ATOM 457 CD1 ILE A 30 -5.099 6.879 -1.104 1.00 30.10 C ATOM 0 H ILE A 30 -4.413 10.465 0.698 1.00 30.23 H new ATOM 0 HA ILE A 30 -5.138 9.099 3.113 1.00 61.42 H new ATOM 0 HB ILE A 30 -5.747 7.234 1.685 1.00 64.11 H new ATOM 0 HG12 ILE A 30 -3.922 8.489 -0.400 1.00 54.31 H new ATOM 0 HG13 ILE A 30 -3.667 6.978 0.449 1.00 54.31 H new ATOM 0 HG21 ILE A 30 -7.127 8.288 -0.075 1.00 44.44 H new ATOM 0 HG22 ILE A 30 -7.234 9.171 1.467 1.00 44.44 H new ATOM 0 HG23 ILE A 30 -6.235 9.813 0.141 1.00 44.44 H new ATOM 0 HD11 ILE A 30 -4.351 6.590 -1.843 1.00 30.10 H new ATOM 0 HD12 ILE A 30 -5.585 5.986 -0.711 1.00 30.10 H new ATOM 0 HD13 ILE A 30 -5.844 7.521 -1.574 1.00 30.10 H new ATOM 469 N TRP A 31 -2.064 8.814 2.187 1.00 14.14 N ATOM 470 CA TRP A 31 -0.715 8.288 2.523 1.00 35.15 C ATOM 471 C TRP A 31 -0.010 9.195 3.548 1.00 74.54 C ATOM 472 O TRP A 31 0.612 8.710 4.494 1.00 53.00 O ATOM 473 CB TRP A 31 0.152 8.205 1.239 1.00 22.34 C ATOM 474 CG TRP A 31 -0.421 7.289 0.189 1.00 34.03 C ATOM 475 CD1 TRP A 31 -1.108 7.640 -0.945 1.00 15.24 C ATOM 476 CD2 TRP A 31 -0.355 5.857 0.190 1.00 34.23 C ATOM 477 NE1 TRP A 31 -1.493 6.513 -1.623 1.00 55.14 N ATOM 478 CE2 TRP A 31 -1.034 5.408 -0.949 1.00 42.41 C ATOM 479 CE3 TRP A 31 0.208 4.915 1.057 1.00 22.14 C ATOM 480 CZ2 TRP A 31 -1.158 4.061 -1.254 1.00 21.52 C ATOM 481 CZ3 TRP A 31 0.089 3.576 0.754 1.00 53.04 C ATOM 482 CH2 TRP A 31 -0.590 3.157 -0.393 1.00 62.14 C ATOM 0 H TRP A 31 -2.036 9.666 1.627 1.00 14.14 H new ATOM 0 HA TRP A 31 -0.837 7.295 2.956 1.00 35.15 H new ATOM 0 HB2 TRP A 31 0.262 9.204 0.818 1.00 22.34 H new ATOM 0 HB3 TRP A 31 1.151 7.860 1.506 1.00 22.34 H new ATOM 0 HD1 TRP A 31 -1.315 8.653 -1.257 1.00 15.24 H new ATOM 0 HE1 TRP A 31 -2.033 6.497 -2.488 1.00 55.14 H new ATOM 0 HE3 TRP A 31 0.727 5.232 1.949 1.00 22.14 H new ATOM 0 HZ2 TRP A 31 -1.684 3.735 -2.139 1.00 21.52 H new ATOM 0 HZ3 TRP A 31 0.527 2.840 1.412 1.00 53.04 H new ATOM 0 HH2 TRP A 31 -0.669 2.101 -0.606 1.00 62.14 H new ATOM 493 N GLU A 32 -0.111 10.513 3.310 1.00 32.45 N ATOM 494 CA GLU A 32 0.559 11.559 4.105 1.00 62.24 C ATOM 495 C GLU A 32 -0.034 11.656 5.527 1.00 41.31 C ATOM 496 O GLU A 32 0.700 11.737 6.525 1.00 3.23 O ATOM 497 CB GLU A 32 0.439 12.913 3.353 1.00 4.13 C ATOM 498 CG GLU A 32 1.178 14.098 4.008 1.00 75.34 C ATOM 499 CD GLU A 32 1.150 15.371 3.141 1.00 3.42 C ATOM 500 OE1 GLU A 32 0.150 16.117 3.196 1.00 12.01 O ATOM 501 OE2 GLU A 32 2.118 15.627 2.382 1.00 32.40 O ATOM 0 H GLU A 32 -0.671 10.890 2.545 1.00 32.45 H new ATOM 0 HA GLU A 32 1.611 11.300 4.222 1.00 62.24 H new ATOM 0 HB2 GLU A 32 0.821 12.783 2.341 1.00 4.13 H new ATOM 0 HB3 GLU A 32 -0.617 13.169 3.265 1.00 4.13 H new ATOM 0 HG2 GLU A 32 0.725 14.313 4.976 1.00 75.34 H new ATOM 0 HG3 GLU A 32 2.214 13.815 4.197 1.00 75.34 H new ATOM 508 N ASP A 33 -1.373 11.629 5.596 1.00 41.14 N ATOM 509 CA ASP A 33 -2.115 11.670 6.862 1.00 2.45 C ATOM 510 C ASP A 33 -2.365 10.218 7.380 1.00 30.32 C ATOM 511 O ASP A 33 -2.972 9.403 6.668 1.00 50.10 O ATOM 512 CB ASP A 33 -3.448 12.432 6.656 1.00 54.31 C ATOM 513 CG ASP A 33 -4.198 12.675 7.969 1.00 52.02 C ATOM 514 OD1 ASP A 33 -5.013 11.821 8.371 1.00 51.22 O ATOM 515 OD2 ASP A 33 -3.953 13.717 8.618 1.00 11.12 O ATOM 0 H ASP A 33 -1.972 11.578 4.772 1.00 41.14 H new ATOM 0 HA ASP A 33 -1.531 12.199 7.615 1.00 2.45 H new ATOM 0 HB2 ASP A 33 -3.244 13.389 6.176 1.00 54.31 H new ATOM 0 HB3 ASP A 33 -4.085 11.865 5.978 1.00 54.31 H new ATOM 520 N PRO A 34 -1.893 9.877 8.631 1.00 13.23 N ATOM 521 CA PRO A 34 -2.036 8.512 9.222 1.00 11.45 C ATOM 522 C PRO A 34 -3.508 8.061 9.389 1.00 61.33 C ATOM 523 O PRO A 34 -3.815 6.881 9.232 1.00 24.23 O ATOM 524 CB PRO A 34 -1.342 8.642 10.609 1.00 55.13 C ATOM 525 CG PRO A 34 -1.337 10.113 10.897 1.00 31.34 C ATOM 526 CD PRO A 34 -1.169 10.784 9.557 1.00 43.11 C ATOM 0 HA PRO A 34 -1.597 7.754 8.574 1.00 11.45 H new ATOM 0 HB2 PRO A 34 -1.885 8.090 11.376 1.00 55.13 H new ATOM 0 HB3 PRO A 34 -0.329 8.240 10.584 1.00 55.13 H new ATOM 0 HG2 PRO A 34 -2.265 10.422 11.377 1.00 31.34 H new ATOM 0 HG3 PRO A 34 -0.524 10.378 11.573 1.00 31.34 H new ATOM 0 HD2 PRO A 34 -1.595 11.787 9.553 1.00 43.11 H new ATOM 0 HD3 PRO A 34 -0.118 10.882 9.285 1.00 43.11 H new ATOM 534 N ARG A 35 -4.397 9.022 9.688 1.00 11.25 N ATOM 535 CA ARG A 35 -5.825 8.767 9.967 1.00 42.43 C ATOM 536 C ARG A 35 -6.612 8.474 8.663 1.00 14.41 C ATOM 537 O ARG A 35 -7.593 7.724 8.669 1.00 61.35 O ATOM 538 CB ARG A 35 -6.391 9.974 10.736 1.00 33.20 C ATOM 539 CG ARG A 35 -7.933 10.109 10.774 1.00 55.42 C ATOM 540 CD ARG A 35 -8.360 11.424 11.448 1.00 60.34 C ATOM 541 NE ARG A 35 -7.455 12.509 11.044 1.00 12.15 N ATOM 542 CZ ARG A 35 -7.606 13.315 10.019 1.00 20.21 C ATOM 543 NH1 ARG A 35 -8.642 13.258 9.263 1.00 30.40 N ATOM 544 NH2 ARG A 35 -6.676 14.151 9.740 1.00 63.10 N ATOM 0 H ARG A 35 -4.145 10.009 9.744 1.00 11.25 H new ATOM 0 HA ARG A 35 -5.931 7.874 10.583 1.00 42.43 H new ATOM 0 HB2 ARG A 35 -6.028 9.925 11.762 1.00 33.20 H new ATOM 0 HB3 ARG A 35 -5.980 10.882 10.295 1.00 33.20 H new ATOM 0 HG2 ARG A 35 -8.329 10.072 9.759 1.00 55.42 H new ATOM 0 HG3 ARG A 35 -8.361 9.265 11.314 1.00 55.42 H new ATOM 0 HD2 ARG A 35 -9.384 11.670 11.169 1.00 60.34 H new ATOM 0 HD3 ARG A 35 -8.344 11.309 12.532 1.00 60.34 H new ATOM 0 HE ARG A 35 -6.624 12.650 11.619 1.00 12.15 H new ATOM 0 HH11 ARG A 35 -9.374 12.574 9.452 1.00 30.40 H new ATOM 0 HH12 ARG A 35 -8.733 13.897 8.473 1.00 30.40 H new ATOM 0 HH21 ARG A 35 -5.832 14.184 10.311 1.00 63.10 H new ATOM 0 HH22 ARG A 35 -6.780 14.783 8.946 1.00 63.10 H new ATOM 558 N GLN A 36 -6.173 9.076 7.546 1.00 53.34 N ATOM 559 CA GLN A 36 -6.729 8.770 6.213 1.00 23.52 C ATOM 560 C GLN A 36 -6.115 7.478 5.620 1.00 1.00 C ATOM 561 O GLN A 36 -6.713 6.886 4.731 1.00 14.53 O ATOM 562 CB GLN A 36 -6.538 9.960 5.240 1.00 5.34 C ATOM 563 CG GLN A 36 -7.263 11.259 5.655 1.00 52.13 C ATOM 564 CD GLN A 36 -7.265 12.333 4.557 1.00 4.52 C ATOM 565 OE1 GLN A 36 -7.265 12.027 3.367 1.00 72.32 O ATOM 566 NE2 GLN A 36 -7.278 13.595 4.941 1.00 13.21 N ATOM 0 H GLN A 36 -5.434 9.779 7.537 1.00 53.34 H new ATOM 0 HA GLN A 36 -7.798 8.602 6.342 1.00 23.52 H new ATOM 0 HB2 GLN A 36 -5.472 10.169 5.149 1.00 5.34 H new ATOM 0 HB3 GLN A 36 -6.891 9.664 4.252 1.00 5.34 H new ATOM 0 HG2 GLN A 36 -8.293 11.022 5.923 1.00 52.13 H new ATOM 0 HG3 GLN A 36 -6.786 11.663 6.548 1.00 52.13 H new ATOM 0 HE21 GLN A 36 -7.278 13.826 5.935 1.00 13.21 H new ATOM 0 HE22 GLN A 36 -7.288 14.340 4.244 1.00 13.21 H new ATOM 575 N LEU A 37 -4.914 7.067 6.088 1.00 3.22 N ATOM 576 CA LEU A 37 -4.285 5.780 5.673 1.00 43.25 C ATOM 577 C LEU A 37 -4.946 4.566 6.368 1.00 75.32 C ATOM 578 O LEU A 37 -5.352 3.604 5.705 1.00 62.10 O ATOM 579 CB LEU A 37 -2.758 5.808 5.948 1.00 54.24 C ATOM 580 CG LEU A 37 -1.957 4.512 5.563 1.00 23.14 C ATOM 581 CD1 LEU A 37 -2.145 4.101 4.082 1.00 11.12 C ATOM 582 CD2 LEU A 37 -0.466 4.678 5.895 1.00 34.43 C ATOM 0 H LEU A 37 -4.357 7.604 6.753 1.00 3.22 H new ATOM 0 HA LEU A 37 -4.445 5.666 4.601 1.00 43.25 H new ATOM 0 HB2 LEU A 37 -2.328 6.650 5.405 1.00 54.24 H new ATOM 0 HB3 LEU A 37 -2.605 6.002 7.010 1.00 54.24 H new ATOM 0 HG LEU A 37 -2.369 3.702 6.165 1.00 23.14 H new ATOM 0 HD11 LEU A 37 -1.567 3.200 3.878 1.00 11.12 H new ATOM 0 HD12 LEU A 37 -3.200 3.907 3.889 1.00 11.12 H new ATOM 0 HD13 LEU A 37 -1.800 4.907 3.434 1.00 11.12 H new ATOM 0 HD21 LEU A 37 0.071 3.770 5.621 1.00 34.43 H new ATOM 0 HD22 LEU A 37 -0.061 5.522 5.337 1.00 34.43 H new ATOM 0 HD23 LEU A 37 -0.349 4.860 6.963 1.00 34.43 H new ATOM 594 N GLU A 38 -5.091 4.640 7.710 1.00 55.23 N ATOM 595 CA GLU A 38 -5.739 3.568 8.527 1.00 64.43 C ATOM 596 C GLU A 38 -7.251 3.413 8.196 1.00 52.44 C ATOM 597 O GLU A 38 -7.911 2.470 8.642 1.00 74.54 O ATOM 598 CB GLU A 38 -5.507 3.852 10.052 1.00 3.34 C ATOM 599 CG GLU A 38 -6.102 5.180 10.620 1.00 73.24 C ATOM 600 CD GLU A 38 -7.575 5.094 11.076 1.00 45.20 C ATOM 601 OE1 GLU A 38 -7.835 4.538 12.163 1.00 62.02 O ATOM 602 OE2 GLU A 38 -8.472 5.597 10.368 1.00 32.44 O ATOM 0 H GLU A 38 -4.768 5.435 8.262 1.00 55.23 H new ATOM 0 HA GLU A 38 -5.273 2.616 8.273 1.00 64.43 H new ATOM 0 HB2 GLU A 38 -5.927 3.022 10.620 1.00 3.34 H new ATOM 0 HB3 GLU A 38 -4.433 3.854 10.237 1.00 3.34 H new ATOM 0 HG2 GLU A 38 -5.494 5.500 11.466 1.00 73.24 H new ATOM 0 HG3 GLU A 38 -6.018 5.953 9.857 1.00 73.24 H new ATOM 609 N ARG A 39 -7.764 4.370 7.410 1.00 10.10 N ATOM 610 CA ARG A 39 -9.167 4.461 6.976 1.00 40.23 C ATOM 611 C ARG A 39 -9.564 3.341 5.977 1.00 50.31 C ATOM 612 O ARG A 39 -10.736 2.965 5.885 1.00 43.11 O ATOM 613 CB ARG A 39 -9.351 5.866 6.330 1.00 60.05 C ATOM 614 CG ARG A 39 -10.793 6.372 6.207 1.00 42.23 C ATOM 615 CD ARG A 39 -11.510 6.433 7.568 1.00 25.54 C ATOM 616 NE ARG A 39 -10.685 7.038 8.647 1.00 40.11 N ATOM 617 CZ ARG A 39 -11.142 7.548 9.770 1.00 52.10 C ATOM 618 NH1 ARG A 39 -12.404 7.720 9.974 1.00 52.14 N ATOM 619 NH2 ARG A 39 -10.315 7.881 10.695 1.00 31.11 N ATOM 0 H ARG A 39 -7.192 5.131 7.045 1.00 10.10 H new ATOM 0 HA ARG A 39 -9.821 4.327 7.838 1.00 40.23 H new ATOM 0 HB2 ARG A 39 -8.783 6.589 6.916 1.00 60.05 H new ATOM 0 HB3 ARG A 39 -8.909 5.845 5.334 1.00 60.05 H new ATOM 0 HG2 ARG A 39 -10.790 7.364 5.756 1.00 42.23 H new ATOM 0 HG3 ARG A 39 -11.349 5.718 5.535 1.00 42.23 H new ATOM 0 HD2 ARG A 39 -12.430 7.008 7.460 1.00 25.54 H new ATOM 0 HD3 ARG A 39 -11.797 5.424 7.864 1.00 25.54 H new ATOM 0 HE ARG A 39 -9.675 7.059 8.504 1.00 40.11 H new ATOM 0 HH11 ARG A 39 -13.077 7.458 9.254 1.00 52.14 H new ATOM 0 HH12 ARG A 39 -12.729 8.118 10.855 1.00 52.14 H new ATOM 0 HH21 ARG A 39 -9.313 7.749 10.555 1.00 31.11 H new ATOM 0 HH22 ARG A 39 -10.660 8.277 11.569 1.00 31.11 H new ATOM 633 N TRP A 40 -8.572 2.827 5.227 1.00 40.25 N ATOM 634 CA TRP A 40 -8.802 1.859 4.124 1.00 31.52 C ATOM 635 C TRP A 40 -7.744 0.733 4.089 1.00 20.04 C ATOM 636 O TRP A 40 -7.941 -0.256 3.387 1.00 23.44 O ATOM 637 CB TRP A 40 -8.814 2.618 2.769 1.00 31.34 C ATOM 638 CG TRP A 40 -7.539 3.382 2.484 1.00 75.13 C ATOM 639 CD1 TRP A 40 -7.220 4.641 2.910 1.00 74.32 C ATOM 640 CD2 TRP A 40 -6.417 2.934 1.712 1.00 54.24 C ATOM 641 NE1 TRP A 40 -5.970 4.986 2.469 1.00 75.11 N ATOM 642 CE2 TRP A 40 -5.464 3.962 1.721 1.00 63.43 C ATOM 643 CE3 TRP A 40 -6.134 1.756 1.017 1.00 63.34 C ATOM 644 CZ2 TRP A 40 -4.248 3.851 1.057 1.00 25.13 C ATOM 645 CZ3 TRP A 40 -4.934 1.645 0.356 1.00 72.13 C ATOM 646 CH2 TRP A 40 -4.004 2.689 0.379 1.00 63.22 C ATOM 0 H TRP A 40 -7.590 3.066 5.363 1.00 40.25 H new ATOM 0 HA TRP A 40 -9.766 1.382 4.301 1.00 31.52 H new ATOM 0 HB2 TRP A 40 -8.985 1.903 1.964 1.00 31.34 H new ATOM 0 HB3 TRP A 40 -9.653 3.314 2.761 1.00 31.34 H new ATOM 0 HD1 TRP A 40 -7.861 5.272 3.508 1.00 74.32 H new ATOM 0 HE1 TRP A 40 -5.494 5.866 2.667 1.00 75.11 H new ATOM 0 HE3 TRP A 40 -6.847 0.945 0.999 1.00 63.34 H new ATOM 0 HZ2 TRP A 40 -3.524 4.652 1.076 1.00 25.13 H new ATOM 0 HZ3 TRP A 40 -4.707 0.740 -0.188 1.00 72.13 H new ATOM 0 HH2 TRP A 40 -3.070 2.575 -0.152 1.00 63.22 H new ATOM 657 N TRP A 41 -6.617 0.905 4.827 1.00 61.23 N ATOM 658 CA TRP A 41 -5.451 -0.018 4.754 1.00 44.44 C ATOM 659 C TRP A 41 -5.821 -1.451 5.216 1.00 42.04 C ATOM 660 O TRP A 41 -6.158 -1.670 6.386 1.00 44.54 O ATOM 661 CB TRP A 41 -4.258 0.536 5.584 1.00 31.12 C ATOM 662 CG TRP A 41 -2.930 -0.119 5.258 1.00 4.43 C ATOM 663 CD1 TRP A 41 -2.137 -0.888 6.070 1.00 53.01 C ATOM 664 CD2 TRP A 41 -2.249 -0.058 3.998 1.00 61.31 C ATOM 665 NE1 TRP A 41 -1.007 -1.271 5.403 1.00 11.24 N ATOM 666 CE2 TRP A 41 -1.057 -0.781 4.129 1.00 15.30 C ATOM 667 CE3 TRP A 41 -2.535 0.548 2.781 1.00 71.14 C ATOM 668 CZ2 TRP A 41 -0.154 -0.911 3.084 1.00 72.11 C ATOM 669 CZ3 TRP A 41 -1.644 0.413 1.741 1.00 41.12 C ATOM 670 CH2 TRP A 41 -0.460 -0.306 1.896 1.00 4.42 C ATOM 0 H TRP A 41 -6.490 1.677 5.482 1.00 61.23 H new ATOM 0 HA TRP A 41 -5.149 -0.080 3.709 1.00 44.44 H new ATOM 0 HB2 TRP A 41 -4.175 1.609 5.412 1.00 31.12 H new ATOM 0 HB3 TRP A 41 -4.470 0.398 6.644 1.00 31.12 H new ATOM 0 HD1 TRP A 41 -2.371 -1.153 7.090 1.00 53.01 H new ATOM 0 HE1 TRP A 41 -0.250 -1.832 5.793 1.00 11.24 H new ATOM 0 HE3 TRP A 41 -3.444 1.117 2.653 1.00 71.14 H new ATOM 0 HZ2 TRP A 41 0.761 -1.472 3.205 1.00 72.11 H new ATOM 0 HZ3 TRP A 41 -1.866 0.872 0.789 1.00 41.12 H new ATOM 0 HH2 TRP A 41 0.226 -0.387 1.066 1.00 4.42 H new ATOM 681 N GLY A 42 -5.755 -2.408 4.271 1.00 74.11 N ATOM 682 CA GLY A 42 -6.187 -3.793 4.504 1.00 23.03 C ATOM 683 C GLY A 42 -7.605 -4.072 3.982 1.00 12.03 C ATOM 684 O GLY A 42 -8.270 -3.157 3.479 1.00 60.44 O ATOM 0 H GLY A 42 -5.402 -2.240 3.329 1.00 74.11 H new ATOM 0 HA2 GLY A 42 -5.486 -4.473 4.020 1.00 23.03 H new ATOM 0 HA3 GLY A 42 -6.150 -4.005 5.573 1.00 23.03 H new ATOM 688 N PRO A 43 -8.099 -5.349 4.068 1.00 15.22 N ATOM 689 CA PRO A 43 -9.488 -5.710 3.668 1.00 73.33 C ATOM 690 C PRO A 43 -10.580 -4.948 4.483 1.00 54.10 C ATOM 691 O PRO A 43 -10.298 -4.458 5.583 1.00 72.02 O ATOM 692 CB PRO A 43 -9.565 -7.242 3.956 1.00 32.23 C ATOM 693 CG PRO A 43 -8.142 -7.700 3.997 1.00 31.25 C ATOM 694 CD PRO A 43 -7.345 -6.534 4.544 1.00 42.13 C ATOM 0 HA PRO A 43 -9.683 -5.442 2.630 1.00 73.33 H new ATOM 0 HB2 PRO A 43 -10.071 -7.441 4.901 1.00 32.23 H new ATOM 0 HB3 PRO A 43 -10.125 -7.762 3.179 1.00 32.23 H new ATOM 0 HG2 PRO A 43 -8.033 -8.579 4.632 1.00 31.25 H new ATOM 0 HG3 PRO A 43 -7.793 -7.979 3.003 1.00 31.25 H new ATOM 0 HD2 PRO A 43 -7.286 -6.563 5.632 1.00 42.13 H new ATOM 0 HD3 PRO A 43 -6.321 -6.536 4.169 1.00 42.13 H new ATOM 702 N PRO A 44 -11.859 -4.850 3.970 1.00 60.14 N ATOM 703 CA PRO A 44 -13.001 -4.277 4.756 1.00 50.40 C ATOM 704 C PRO A 44 -13.333 -5.086 6.053 1.00 40.30 C ATOM 705 O PRO A 44 -14.141 -4.651 6.876 1.00 21.10 O ATOM 706 CB PRO A 44 -14.182 -4.301 3.737 1.00 33.32 C ATOM 707 CG PRO A 44 -13.787 -5.330 2.714 1.00 35.22 C ATOM 708 CD PRO A 44 -12.281 -5.233 2.596 1.00 11.02 C ATOM 0 HA PRO A 44 -12.774 -3.281 5.135 1.00 50.40 H new ATOM 0 HB2 PRO A 44 -15.120 -4.568 4.225 1.00 33.32 H new ATOM 0 HB3 PRO A 44 -14.328 -3.323 3.278 1.00 33.32 H new ATOM 0 HG2 PRO A 44 -14.092 -6.329 3.026 1.00 35.22 H new ATOM 0 HG3 PRO A 44 -14.268 -5.134 1.756 1.00 35.22 H new ATOM 0 HD2 PRO A 44 -11.839 -6.181 2.288 1.00 11.02 H new ATOM 0 HD3 PRO A 44 -11.982 -4.487 1.860 1.00 11.02 H new ATOM 716 N THR A 45 -12.716 -6.275 6.196 1.00 42.12 N ATOM 717 CA THR A 45 -12.797 -7.123 7.409 1.00 11.10 C ATOM 718 C THR A 45 -11.592 -6.902 8.364 1.00 63.44 C ATOM 719 O THR A 45 -11.725 -7.064 9.583 1.00 74.51 O ATOM 720 CB THR A 45 -12.874 -8.633 7.005 1.00 2.53 C ATOM 721 OG1 THR A 45 -11.844 -8.927 6.042 1.00 15.50 O ATOM 722 CG2 THR A 45 -14.248 -9.008 6.415 1.00 41.53 C ATOM 0 H THR A 45 -12.137 -6.683 5.462 1.00 42.12 H new ATOM 0 HA THR A 45 -13.702 -6.833 7.944 1.00 11.10 H new ATOM 0 HB THR A 45 -12.729 -9.223 7.910 1.00 2.53 H new ATOM 0 HG1 THR A 45 -11.892 -9.873 5.791 1.00 15.50 H new ATOM 0 HG21 THR A 45 -14.254 -10.065 6.150 1.00 41.53 H new ATOM 0 HG22 THR A 45 -15.026 -8.815 7.154 1.00 41.53 H new ATOM 0 HG23 THR A 45 -14.437 -8.409 5.524 1.00 41.53 H new ATOM 730 N TRP A 46 -10.414 -6.533 7.806 1.00 40.00 N ATOM 731 CA TRP A 46 -9.155 -6.314 8.587 1.00 34.22 C ATOM 732 C TRP A 46 -8.617 -4.865 8.398 1.00 13.54 C ATOM 733 O TRP A 46 -7.740 -4.631 7.554 1.00 4.13 O ATOM 734 CB TRP A 46 -8.063 -7.350 8.172 1.00 14.21 C ATOM 735 CG TRP A 46 -8.382 -8.785 8.519 1.00 34.21 C ATOM 736 CD1 TRP A 46 -9.345 -9.577 7.962 1.00 71.15 C ATOM 737 CD2 TRP A 46 -7.712 -9.607 9.490 1.00 64.54 C ATOM 738 NE1 TRP A 46 -9.356 -10.803 8.561 1.00 51.34 N ATOM 739 CE2 TRP A 46 -8.357 -10.857 9.490 1.00 70.43 C ATOM 740 CE3 TRP A 46 -6.645 -9.399 10.363 1.00 63.50 C ATOM 741 CZ2 TRP A 46 -7.975 -11.896 10.330 1.00 71.24 C ATOM 742 CZ3 TRP A 46 -6.259 -10.430 11.196 1.00 74.32 C ATOM 743 CH2 TRP A 46 -6.922 -11.667 11.175 1.00 23.10 C ATOM 0 H TRP A 46 -10.301 -6.377 6.804 1.00 40.00 H new ATOM 0 HA TRP A 46 -9.392 -6.454 9.642 1.00 34.22 H new ATOM 0 HB2 TRP A 46 -7.905 -7.278 7.096 1.00 14.21 H new ATOM 0 HB3 TRP A 46 -7.123 -7.076 8.651 1.00 14.21 H new ATOM 0 HD1 TRP A 46 -10.004 -9.276 7.161 1.00 71.15 H new ATOM 0 HE1 TRP A 46 -10.007 -11.559 8.348 1.00 51.34 H new ATOM 0 HE3 TRP A 46 -6.130 -8.450 10.387 1.00 63.50 H new ATOM 0 HZ2 TRP A 46 -8.488 -12.846 10.317 1.00 71.24 H new ATOM 0 HZ3 TRP A 46 -5.433 -10.282 11.876 1.00 74.32 H new ATOM 0 HH2 TRP A 46 -6.595 -12.454 11.839 1.00 23.10 H new ATOM 754 N PRO A 47 -9.166 -3.852 9.144 1.00 53.23 N ATOM 755 CA PRO A 47 -8.649 -2.465 9.110 1.00 71.22 C ATOM 756 C PRO A 47 -7.373 -2.291 9.983 1.00 20.34 C ATOM 757 O PRO A 47 -7.331 -2.716 11.149 1.00 53.34 O ATOM 758 CB PRO A 47 -9.842 -1.644 9.661 1.00 53.24 C ATOM 759 CG PRO A 47 -10.524 -2.577 10.623 1.00 41.22 C ATOM 760 CD PRO A 47 -10.348 -3.972 10.045 1.00 33.04 C ATOM 0 HA PRO A 47 -8.332 -2.153 8.115 1.00 71.22 H new ATOM 0 HB2 PRO A 47 -9.503 -0.736 10.160 1.00 53.24 H new ATOM 0 HB3 PRO A 47 -10.515 -1.336 8.861 1.00 53.24 H new ATOM 0 HG2 PRO A 47 -10.080 -2.507 11.616 1.00 41.22 H new ATOM 0 HG3 PRO A 47 -11.580 -2.328 10.727 1.00 41.22 H new ATOM 0 HD2 PRO A 47 -10.177 -4.709 10.830 1.00 33.04 H new ATOM 0 HD3 PRO A 47 -11.235 -4.290 9.497 1.00 33.04 H new ATOM 768 N ALA A 48 -6.333 -1.669 9.406 1.00 4.04 N ATOM 769 CA ALA A 48 -5.064 -1.405 10.108 1.00 13.24 C ATOM 770 C ALA A 48 -5.159 -0.162 11.017 1.00 44.52 C ATOM 771 O ALA A 48 -5.942 0.753 10.755 1.00 4.22 O ATOM 772 CB ALA A 48 -3.934 -1.248 9.096 1.00 35.03 C ATOM 0 H ALA A 48 -6.346 -1.335 8.442 1.00 4.04 H new ATOM 0 HA ALA A 48 -4.852 -2.258 10.752 1.00 13.24 H new ATOM 0 HB1 ALA A 48 -2.999 -1.053 9.622 1.00 35.03 H new ATOM 0 HB2 ALA A 48 -3.838 -2.164 8.513 1.00 35.03 H new ATOM 0 HB3 ALA A 48 -4.156 -0.415 8.429 1.00 35.03 H new ATOM 778 N THR A 49 -4.356 -0.149 12.092 1.00 42.20 N ATOM 779 CA THR A 49 -4.264 0.984 13.043 1.00 62.14 C ATOM 780 C THR A 49 -2.787 1.391 13.233 1.00 53.35 C ATOM 781 O THR A 49 -2.003 0.630 13.808 1.00 13.21 O ATOM 782 CB THR A 49 -4.919 0.611 14.420 1.00 33.21 C ATOM 783 OG1 THR A 49 -6.311 0.306 14.226 1.00 54.41 O ATOM 784 CG2 THR A 49 -4.796 1.738 15.461 1.00 52.23 C ATOM 0 H THR A 49 -3.744 -0.929 12.333 1.00 42.20 H new ATOM 0 HA THR A 49 -4.812 1.832 12.631 1.00 62.14 H new ATOM 0 HB THR A 49 -4.381 -0.256 14.804 1.00 33.21 H new ATOM 0 HG1 THR A 49 -6.718 0.072 15.086 1.00 54.41 H new ATOM 0 HG21 THR A 49 -5.266 1.425 16.393 1.00 52.23 H new ATOM 0 HG22 THR A 49 -3.743 1.954 15.640 1.00 52.23 H new ATOM 0 HG23 THR A 49 -5.292 2.634 15.088 1.00 52.23 H new ATOM 792 N PHE A 50 -2.417 2.591 12.738 1.00 61.03 N ATOM 793 CA PHE A 50 -1.012 3.064 12.699 1.00 13.22 C ATOM 794 C PHE A 50 -0.597 3.762 14.017 1.00 44.43 C ATOM 795 O PHE A 50 -1.026 4.879 14.315 1.00 52.12 O ATOM 796 CB PHE A 50 -0.791 3.988 11.465 1.00 52.12 C ATOM 797 CG PHE A 50 -0.673 3.206 10.153 1.00 64.34 C ATOM 798 CD1 PHE A 50 -1.800 2.666 9.527 1.00 14.50 C ATOM 799 CD2 PHE A 50 0.575 2.978 9.567 1.00 31.33 C ATOM 800 CE1 PHE A 50 -1.682 1.930 8.367 1.00 42.42 C ATOM 801 CE2 PHE A 50 0.691 2.246 8.401 1.00 62.42 C ATOM 802 CZ PHE A 50 -0.436 1.720 7.802 1.00 71.23 C ATOM 0 H PHE A 50 -3.082 3.261 12.353 1.00 61.03 H new ATOM 0 HA PHE A 50 -0.366 2.192 12.596 1.00 13.22 H new ATOM 0 HB2 PHE A 50 -1.620 4.692 11.390 1.00 52.12 H new ATOM 0 HB3 PHE A 50 0.114 4.577 11.615 1.00 52.12 H new ATOM 0 HD1 PHE A 50 -2.777 2.828 9.958 1.00 14.50 H new ATOM 0 HD2 PHE A 50 1.463 3.380 10.033 1.00 31.33 H new ATOM 0 HE1 PHE A 50 -2.563 1.517 7.899 1.00 42.42 H new ATOM 0 HE2 PHE A 50 1.663 2.085 7.958 1.00 62.42 H new ATOM 0 HZ PHE A 50 -0.346 1.145 6.893 1.00 71.23 H new ATOM 812 N GLU A 51 0.244 3.058 14.793 1.00 64.13 N ATOM 813 CA GLU A 51 0.767 3.514 16.091 1.00 50.31 C ATOM 814 C GLU A 51 1.794 4.663 15.953 1.00 61.14 C ATOM 815 O GLU A 51 1.755 5.627 16.724 1.00 21.12 O ATOM 816 CB GLU A 51 1.410 2.307 16.828 1.00 25.12 C ATOM 817 CG GLU A 51 0.469 1.094 17.016 1.00 51.11 C ATOM 818 CD GLU A 51 -0.783 1.412 17.857 1.00 61.13 C ATOM 819 OE1 GLU A 51 -1.822 1.817 17.282 1.00 11.21 O ATOM 820 OE2 GLU A 51 -0.727 1.267 19.098 1.00 21.40 O ATOM 0 H GLU A 51 0.587 2.134 14.529 1.00 64.13 H new ATOM 0 HA GLU A 51 -0.069 3.912 16.666 1.00 50.31 H new ATOM 0 HB2 GLU A 51 2.290 1.985 16.272 1.00 25.12 H new ATOM 0 HB3 GLU A 51 1.755 2.638 17.807 1.00 25.12 H new ATOM 0 HG2 GLU A 51 0.157 0.731 16.037 1.00 51.11 H new ATOM 0 HG3 GLU A 51 1.022 0.286 17.494 1.00 51.11 H new ATOM 827 N THR A 52 2.713 4.560 14.967 1.00 12.21 N ATOM 828 CA THR A 52 3.806 5.557 14.794 1.00 33.14 C ATOM 829 C THR A 52 4.106 5.856 13.305 1.00 4.21 C ATOM 830 O THR A 52 5.230 5.701 12.827 1.00 24.32 O ATOM 831 CB THR A 52 5.108 5.118 15.568 1.00 11.32 C ATOM 832 OG1 THR A 52 6.130 6.133 15.469 1.00 50.23 O ATOM 833 CG2 THR A 52 5.674 3.762 15.097 1.00 63.20 C ATOM 0 H THR A 52 2.725 3.805 14.281 1.00 12.21 H new ATOM 0 HA THR A 52 3.453 6.490 15.233 1.00 33.14 H new ATOM 0 HB THR A 52 4.808 4.995 16.609 1.00 11.32 H new ATOM 0 HG1 THR A 52 6.341 6.294 14.526 1.00 50.23 H new ATOM 0 HG21 THR A 52 6.569 3.522 15.671 1.00 63.20 H new ATOM 0 HG22 THR A 52 4.926 2.983 15.248 1.00 63.20 H new ATOM 0 HG23 THR A 52 5.928 3.821 14.039 1.00 63.20 H new ATOM 841 N HIS A 53 3.078 6.296 12.571 1.00 74.24 N ATOM 842 CA HIS A 53 3.219 6.692 11.156 1.00 63.14 C ATOM 843 C HIS A 53 4.080 7.987 11.000 1.00 65.21 C ATOM 844 O HIS A 53 3.567 9.112 11.067 1.00 74.12 O ATOM 845 CB HIS A 53 1.814 6.843 10.533 1.00 0.43 C ATOM 846 CG HIS A 53 1.808 7.205 9.072 1.00 4.14 C ATOM 847 ND1 HIS A 53 1.728 8.512 8.664 1.00 4.23 N ATOM 848 CD2 HIS A 53 1.848 6.407 7.979 1.00 20.21 C ATOM 849 CE1 HIS A 53 1.723 8.485 7.352 1.00 5.44 C ATOM 850 NE2 HIS A 53 1.792 7.235 6.886 1.00 65.45 N ATOM 0 H HIS A 53 2.129 6.389 12.933 1.00 74.24 H new ATOM 0 HA HIS A 53 3.757 5.913 10.617 1.00 63.14 H new ATOM 0 HB2 HIS A 53 1.271 5.907 10.663 1.00 0.43 H new ATOM 0 HB3 HIS A 53 1.267 7.608 11.085 1.00 0.43 H new ATOM 0 HD2 HIS A 53 1.912 5.329 7.969 1.00 20.21 H new ATOM 0 HE1 HIS A 53 1.670 9.364 6.727 1.00 5.44 H new ATOM 0 HE2 HIS A 53 1.801 6.951 5.906 1.00 65.45 H new ATOM 858 N GLU A 54 5.408 7.801 10.856 1.00 32.14 N ATOM 859 CA GLU A 54 6.378 8.893 10.614 1.00 11.21 C ATOM 860 C GLU A 54 6.531 9.139 9.107 1.00 52.34 C ATOM 861 O GLU A 54 7.371 8.499 8.468 1.00 14.12 O ATOM 862 CB GLU A 54 7.776 8.538 11.209 1.00 43.33 C ATOM 863 CG GLU A 54 7.776 8.175 12.695 1.00 1.24 C ATOM 864 CD GLU A 54 7.376 9.345 13.605 1.00 14.24 C ATOM 865 OE1 GLU A 54 8.186 10.286 13.760 1.00 13.42 O ATOM 866 OE2 GLU A 54 6.264 9.333 14.168 1.00 22.14 O ATOM 0 H GLU A 54 5.843 6.880 10.905 1.00 32.14 H new ATOM 0 HA GLU A 54 5.998 9.791 11.102 1.00 11.21 H new ATOM 0 HB2 GLU A 54 8.191 7.702 10.647 1.00 43.33 H new ATOM 0 HB3 GLU A 54 8.444 9.386 11.058 1.00 43.33 H new ATOM 0 HG2 GLU A 54 7.089 7.345 12.859 1.00 1.24 H new ATOM 0 HG3 GLU A 54 8.770 7.827 12.977 1.00 1.24 H new ATOM 873 N PHE A 55 5.711 10.036 8.532 1.00 71.32 N ATOM 874 CA PHE A 55 5.771 10.367 7.099 1.00 24.04 C ATOM 875 C PHE A 55 6.981 11.298 6.795 1.00 74.02 C ATOM 876 O PHE A 55 6.829 12.500 6.545 1.00 41.44 O ATOM 877 CB PHE A 55 4.431 10.996 6.636 1.00 71.13 C ATOM 878 CG PHE A 55 4.212 10.905 5.130 1.00 55.33 C ATOM 879 CD1 PHE A 55 3.837 9.696 4.558 1.00 52.32 C ATOM 880 CD2 PHE A 55 4.393 12.002 4.290 1.00 4.30 C ATOM 881 CE1 PHE A 55 3.643 9.576 3.198 1.00 30.13 C ATOM 882 CE2 PHE A 55 4.197 11.883 2.926 1.00 22.02 C ATOM 883 CZ PHE A 55 3.820 10.668 2.384 1.00 25.22 C ATOM 0 H PHE A 55 4.993 10.548 9.044 1.00 71.32 H new ATOM 0 HA PHE A 55 5.921 9.448 6.533 1.00 24.04 H new ATOM 0 HB2 PHE A 55 3.607 10.497 7.147 1.00 71.13 H new ATOM 0 HB3 PHE A 55 4.406 12.043 6.937 1.00 71.13 H new ATOM 0 HD1 PHE A 55 3.695 8.833 5.191 1.00 52.32 H new ATOM 0 HD2 PHE A 55 4.689 12.953 4.708 1.00 4.30 H new ATOM 0 HE1 PHE A 55 3.353 8.626 2.774 1.00 30.13 H new ATOM 0 HE2 PHE A 55 4.339 12.740 2.284 1.00 22.02 H new ATOM 0 HZ PHE A 55 3.665 10.578 1.319 1.00 25.22 H new ATOM 893 N THR A 56 8.189 10.720 6.886 1.00 52.42 N ATOM 894 CA THR A 56 9.468 11.396 6.545 1.00 32.42 C ATOM 895 C THR A 56 10.449 10.401 5.884 1.00 44.42 C ATOM 896 O THR A 56 10.284 9.184 6.008 1.00 1.03 O ATOM 897 CB THR A 56 10.128 12.046 7.815 1.00 11.43 C ATOM 898 OG1 THR A 56 11.430 12.578 7.504 1.00 74.42 O ATOM 899 CG2 THR A 56 10.232 11.050 8.982 1.00 1.23 C ATOM 0 H THR A 56 8.315 9.758 7.202 1.00 52.42 H new ATOM 0 HA THR A 56 9.242 12.193 5.836 1.00 32.42 H new ATOM 0 HB THR A 56 9.477 12.862 8.128 1.00 11.43 H new ATOM 0 HG1 THR A 56 11.820 12.979 8.309 1.00 74.42 H new ATOM 0 HG21 THR A 56 10.694 11.541 9.839 1.00 1.23 H new ATOM 0 HG22 THR A 56 9.235 10.704 9.255 1.00 1.23 H new ATOM 0 HG23 THR A 56 10.841 10.198 8.680 1.00 1.23 H new ATOM 907 N VAL A 57 11.465 10.928 5.179 1.00 11.44 N ATOM 908 CA VAL A 57 12.470 10.109 4.463 1.00 25.02 C ATOM 909 C VAL A 57 13.433 9.437 5.482 1.00 35.40 C ATOM 910 O VAL A 57 14.140 10.120 6.233 1.00 12.41 O ATOM 911 CB VAL A 57 13.277 10.977 3.430 1.00 43.54 C ATOM 912 CG1 VAL A 57 14.302 10.116 2.645 1.00 72.41 C ATOM 913 CG2 VAL A 57 12.317 11.729 2.467 1.00 34.52 C ATOM 0 H VAL A 57 11.616 11.932 5.087 1.00 11.44 H new ATOM 0 HA VAL A 57 11.946 9.332 3.907 1.00 25.02 H new ATOM 0 HB VAL A 57 13.840 11.723 3.991 1.00 43.54 H new ATOM 0 HG11 VAL A 57 14.843 10.747 1.940 1.00 72.41 H new ATOM 0 HG12 VAL A 57 15.007 9.664 3.342 1.00 72.41 H new ATOM 0 HG13 VAL A 57 13.777 9.331 2.101 1.00 72.41 H new ATOM 0 HG21 VAL A 57 12.900 12.322 1.762 1.00 34.52 H new ATOM 0 HG22 VAL A 57 11.711 11.007 1.920 1.00 34.52 H new ATOM 0 HG23 VAL A 57 11.665 12.386 3.043 1.00 34.52 H new ATOM 923 N GLY A 58 13.422 8.094 5.505 1.00 23.44 N ATOM 924 CA GLY A 58 14.131 7.297 6.525 1.00 34.51 C ATOM 925 C GLY A 58 13.283 7.036 7.779 1.00 10.43 C ATOM 926 O GLY A 58 13.742 6.385 8.729 1.00 24.32 O ATOM 0 H GLY A 58 12.922 7.529 4.818 1.00 23.44 H new ATOM 0 HA2 GLY A 58 14.429 6.343 6.090 1.00 34.51 H new ATOM 0 HA3 GLY A 58 15.045 7.816 6.813 1.00 34.51 H new ATOM 930 N GLY A 59 12.035 7.551 7.773 1.00 21.21 N ATOM 931 CA GLY A 59 11.075 7.327 8.860 1.00 52.23 C ATOM 932 C GLY A 59 10.320 6.017 8.697 1.00 50.22 C ATOM 933 O GLY A 59 10.339 5.421 7.620 1.00 0.40 O ATOM 0 H GLY A 59 11.672 8.130 7.016 1.00 21.21 H new ATOM 0 HA2 GLY A 59 11.603 7.324 9.814 1.00 52.23 H new ATOM 0 HA3 GLY A 59 10.364 8.153 8.891 1.00 52.23 H new ATOM 937 N LYS A 60 9.661 5.547 9.766 1.00 62.31 N ATOM 938 CA LYS A 60 8.954 4.237 9.767 1.00 54.34 C ATOM 939 C LYS A 60 7.519 4.355 10.312 1.00 14.40 C ATOM 940 O LYS A 60 7.127 5.397 10.825 1.00 42.21 O ATOM 941 CB LYS A 60 9.772 3.197 10.583 1.00 74.15 C ATOM 942 CG LYS A 60 11.143 2.860 9.956 1.00 24.23 C ATOM 943 CD LYS A 60 11.872 1.713 10.677 1.00 1.55 C ATOM 944 CE LYS A 60 13.174 1.309 9.966 1.00 44.11 C ATOM 945 NZ LYS A 60 13.870 0.199 10.662 1.00 2.15 N ATOM 0 H LYS A 60 9.597 6.051 10.651 1.00 62.31 H new ATOM 0 HA LYS A 60 8.873 3.899 8.734 1.00 54.34 H new ATOM 0 HB2 LYS A 60 9.927 3.580 11.592 1.00 74.15 H new ATOM 0 HB3 LYS A 60 9.189 2.281 10.676 1.00 74.15 H new ATOM 0 HG2 LYS A 60 11.001 2.591 8.909 1.00 24.23 H new ATOM 0 HG3 LYS A 60 11.772 3.750 9.973 1.00 24.23 H new ATOM 0 HD2 LYS A 60 12.098 2.015 11.699 1.00 1.55 H new ATOM 0 HD3 LYS A 60 11.211 0.848 10.739 1.00 1.55 H new ATOM 0 HE2 LYS A 60 12.949 1.010 8.942 1.00 44.11 H new ATOM 0 HE3 LYS A 60 13.837 2.172 9.908 1.00 44.11 H new ATOM 0 HZ1 LYS A 60 14.742 -0.040 10.148 1.00 2.15 H new ATOM 0 HZ2 LYS A 60 14.108 0.492 11.631 1.00 2.15 H new ATOM 0 HZ3 LYS A 60 13.248 -0.634 10.695 1.00 2.15 H new ATOM 959 N ALA A 61 6.744 3.262 10.190 1.00 21.13 N ATOM 960 CA ALA A 61 5.336 3.209 10.653 1.00 5.41 C ATOM 961 C ALA A 61 5.002 1.816 11.216 1.00 13.23 C ATOM 962 O ALA A 61 5.225 0.811 10.554 1.00 72.41 O ATOM 963 CB ALA A 61 4.380 3.577 9.497 1.00 14.23 C ATOM 0 H ALA A 61 7.070 2.391 9.770 1.00 21.13 H new ATOM 0 HA ALA A 61 5.205 3.937 11.454 1.00 5.41 H new ATOM 0 HB1 ALA A 61 3.349 3.534 9.850 1.00 14.23 H new ATOM 0 HB2 ALA A 61 4.603 4.585 9.148 1.00 14.23 H new ATOM 0 HB3 ALA A 61 4.512 2.871 8.677 1.00 14.23 H new ATOM 969 N ALA A 62 4.454 1.766 12.440 1.00 42.45 N ATOM 970 CA ALA A 62 4.000 0.498 13.061 1.00 53.32 C ATOM 971 C ALA A 62 2.477 0.431 12.962 1.00 74.12 C ATOM 972 O ALA A 62 1.814 1.451 13.134 1.00 61.44 O ATOM 973 CB ALA A 62 4.448 0.412 14.532 1.00 52.33 C ATOM 0 H ALA A 62 4.311 2.588 13.026 1.00 42.45 H new ATOM 0 HA ALA A 62 4.447 -0.345 12.534 1.00 53.32 H new ATOM 0 HB1 ALA A 62 4.102 -0.527 14.963 1.00 52.33 H new ATOM 0 HB2 ALA A 62 5.536 0.456 14.584 1.00 52.33 H new ATOM 0 HB3 ALA A 62 4.024 1.246 15.091 1.00 52.33 H new ATOM 979 N TYR A 63 1.922 -0.748 12.652 1.00 63.31 N ATOM 980 CA TYR A 63 0.459 -0.938 12.594 1.00 20.35 C ATOM 981 C TYR A 63 0.056 -2.380 12.940 1.00 51.43 C ATOM 982 O TYR A 63 0.909 -3.248 13.149 1.00 75.42 O ATOM 983 CB TYR A 63 -0.113 -0.516 11.202 1.00 44.12 C ATOM 984 CG TYR A 63 0.244 -1.423 10.003 1.00 11.23 C ATOM 985 CD1 TYR A 63 -0.580 -2.494 9.636 1.00 35.03 C ATOM 986 CD2 TYR A 63 1.378 -1.188 9.219 1.00 31.34 C ATOM 987 CE1 TYR A 63 -0.290 -3.292 8.550 1.00 61.42 C ATOM 988 CE2 TYR A 63 1.669 -1.985 8.123 1.00 31.12 C ATOM 989 CZ TYR A 63 0.832 -3.034 7.792 1.00 53.24 C ATOM 990 OH TYR A 63 1.113 -3.828 6.701 1.00 44.43 O ATOM 0 H TYR A 63 2.460 -1.587 12.437 1.00 63.31 H new ATOM 0 HA TYR A 63 0.021 -0.286 13.350 1.00 20.35 H new ATOM 0 HB2 TYR A 63 -1.199 -0.467 11.281 1.00 44.12 H new ATOM 0 HB3 TYR A 63 0.236 0.493 10.982 1.00 44.12 H new ATOM 0 HD1 TYR A 63 -1.466 -2.700 10.219 1.00 35.03 H new ATOM 0 HD2 TYR A 63 2.038 -0.372 9.472 1.00 31.34 H new ATOM 0 HE1 TYR A 63 -0.939 -4.116 8.294 1.00 61.42 H new ATOM 0 HE2 TYR A 63 2.549 -1.787 7.528 1.00 31.12 H new ATOM 0 HH TYR A 63 1.811 -3.404 6.159 1.00 44.43 H new ATOM 1000 N TYR A 64 -1.265 -2.598 13.022 1.00 74.05 N ATOM 1001 CA TYR A 64 -1.864 -3.940 13.137 1.00 54.14 C ATOM 1002 C TYR A 64 -3.298 -3.934 12.572 1.00 31.54 C ATOM 1003 O TYR A 64 -4.065 -2.994 12.814 1.00 53.43 O ATOM 1004 CB TYR A 64 -1.843 -4.438 14.613 1.00 41.15 C ATOM 1005 CG TYR A 64 -2.532 -3.500 15.621 1.00 73.45 C ATOM 1006 CD1 TYR A 64 -1.836 -2.449 16.225 1.00 73.21 C ATOM 1007 CD2 TYR A 64 -3.878 -3.667 15.973 1.00 12.55 C ATOM 1008 CE1 TYR A 64 -2.449 -1.617 17.133 1.00 33.23 C ATOM 1009 CE2 TYR A 64 -4.488 -2.834 16.885 1.00 51.32 C ATOM 1010 CZ TYR A 64 -3.769 -1.810 17.464 1.00 13.40 C ATOM 1011 OH TYR A 64 -4.372 -0.988 18.387 1.00 31.12 O ATOM 0 H TYR A 64 -1.953 -1.845 13.010 1.00 74.05 H new ATOM 0 HA TYR A 64 -1.266 -4.636 12.548 1.00 54.14 H new ATOM 0 HB2 TYR A 64 -2.325 -5.415 14.659 1.00 41.15 H new ATOM 0 HB3 TYR A 64 -0.806 -4.579 14.919 1.00 41.15 H new ATOM 0 HD1 TYR A 64 -0.798 -2.287 15.974 1.00 73.21 H new ATOM 0 HD2 TYR A 64 -4.448 -4.465 15.520 1.00 12.55 H new ATOM 0 HE1 TYR A 64 -1.892 -0.811 17.587 1.00 33.23 H new ATOM 0 HE2 TYR A 64 -5.526 -2.983 17.145 1.00 51.32 H new ATOM 0 HH TYR A 64 -5.306 -1.259 18.506 1.00 31.12 H new ATOM 1021 N MET A 65 -3.639 -4.975 11.803 1.00 62.10 N ATOM 1022 CA MET A 65 -4.994 -5.177 11.259 1.00 44.22 C ATOM 1023 C MET A 65 -5.862 -5.930 12.286 1.00 4.33 C ATOM 1024 O MET A 65 -5.607 -7.108 12.575 1.00 61.30 O ATOM 1025 CB MET A 65 -4.923 -5.960 9.921 1.00 73.02 C ATOM 1026 CG MET A 65 -4.165 -5.240 8.793 1.00 35.23 C ATOM 1027 SD MET A 65 -4.129 -6.190 7.255 1.00 3.22 S ATOM 1028 CE MET A 65 -3.227 -7.665 7.744 1.00 33.32 C ATOM 0 H MET A 65 -2.981 -5.707 11.537 1.00 62.10 H new ATOM 0 HA MET A 65 -5.450 -4.206 11.063 1.00 44.22 H new ATOM 0 HB2 MET A 65 -4.445 -6.922 10.104 1.00 73.02 H new ATOM 0 HB3 MET A 65 -5.938 -6.167 9.583 1.00 73.02 H new ATOM 0 HG2 MET A 65 -4.633 -4.273 8.607 1.00 35.23 H new ATOM 0 HG3 MET A 65 -3.143 -5.043 9.117 1.00 35.23 H new ATOM 0 HE1 MET A 65 -2.887 -8.195 6.854 1.00 33.32 H new ATOM 0 HE2 MET A 65 -2.366 -7.381 8.349 1.00 33.32 H new ATOM 0 HE3 MET A 65 -3.880 -8.315 8.326 1.00 33.32 H new ATOM 1038 N THR A 66 -6.854 -5.234 12.864 1.00 31.23 N ATOM 1039 CA THR A 66 -7.804 -5.832 13.825 1.00 42.32 C ATOM 1040 C THR A 66 -8.954 -6.527 13.063 1.00 30.40 C ATOM 1041 O THR A 66 -9.905 -5.882 12.611 1.00 74.15 O ATOM 1042 CB THR A 66 -8.360 -4.765 14.828 1.00 72.51 C ATOM 1043 OG1 THR A 66 -7.265 -4.185 15.563 1.00 52.51 O ATOM 1044 CG2 THR A 66 -9.378 -5.354 15.830 1.00 21.31 C ATOM 0 H THR A 66 -7.023 -4.245 12.682 1.00 31.23 H new ATOM 0 HA THR A 66 -7.269 -6.577 14.414 1.00 42.32 H new ATOM 0 HB THR A 66 -8.881 -4.012 14.236 1.00 72.51 H new ATOM 0 HG1 THR A 66 -7.610 -3.730 16.359 1.00 52.51 H new ATOM 0 HG21 THR A 66 -9.727 -4.567 16.499 1.00 21.31 H new ATOM 0 HG22 THR A 66 -10.225 -5.770 15.285 1.00 21.31 H new ATOM 0 HG23 THR A 66 -8.900 -6.141 16.414 1.00 21.31 H new ATOM 1052 N GLY A 67 -8.819 -7.851 12.907 1.00 24.12 N ATOM 1053 CA GLY A 67 -9.782 -8.675 12.177 1.00 12.00 C ATOM 1054 C GLY A 67 -11.154 -8.813 12.841 1.00 24.41 C ATOM 1055 O GLY A 67 -11.347 -8.346 13.970 1.00 51.55 O ATOM 0 H GLY A 67 -8.034 -8.380 13.287 1.00 24.12 H new ATOM 0 HA2 GLY A 67 -9.918 -8.251 11.182 1.00 12.00 H new ATOM 0 HA3 GLY A 67 -9.358 -9.670 12.044 1.00 12.00 H new ATOM 1059 N PRO A 68 -12.128 -9.505 12.175 1.00 50.25 N ATOM 1060 CA PRO A 68 -13.539 -9.617 12.666 1.00 40.12 C ATOM 1061 C PRO A 68 -13.676 -10.492 13.946 1.00 34.43 C ATOM 1062 O PRO A 68 -14.706 -10.466 14.621 1.00 52.31 O ATOM 1063 CB PRO A 68 -14.270 -10.252 11.453 1.00 72.22 C ATOM 1064 CG PRO A 68 -13.204 -11.048 10.749 1.00 22.35 C ATOM 1065 CD PRO A 68 -11.928 -10.249 10.896 1.00 11.32 C ATOM 0 HA PRO A 68 -13.950 -8.655 12.974 1.00 40.12 H new ATOM 0 HB2 PRO A 68 -15.094 -10.889 11.774 1.00 72.22 H new ATOM 0 HB3 PRO A 68 -14.693 -9.489 10.800 1.00 72.22 H new ATOM 0 HG2 PRO A 68 -13.099 -12.038 11.192 1.00 22.35 H new ATOM 0 HG3 PRO A 68 -13.455 -11.194 9.698 1.00 22.35 H new ATOM 0 HD2 PRO A 68 -11.052 -10.896 10.941 1.00 11.32 H new ATOM 0 HD3 PRO A 68 -11.780 -9.570 10.056 1.00 11.32 H new ATOM 1073 N ASP A 69 -12.621 -11.266 14.253 1.00 71.12 N ATOM 1074 CA ASP A 69 -12.545 -12.127 15.456 1.00 2.22 C ATOM 1075 C ASP A 69 -11.778 -11.425 16.612 1.00 53.12 C ATOM 1076 O ASP A 69 -11.563 -12.019 17.677 1.00 74.41 O ATOM 1077 CB ASP A 69 -11.843 -13.451 15.070 1.00 41.24 C ATOM 1078 CG ASP A 69 -12.501 -14.116 13.849 1.00 1.40 C ATOM 1079 OD1 ASP A 69 -13.507 -14.837 14.016 1.00 2.03 O ATOM 1080 OD2 ASP A 69 -12.033 -13.891 12.711 1.00 22.11 O ATOM 0 H ASP A 69 -11.786 -11.315 13.670 1.00 71.12 H new ATOM 0 HA ASP A 69 -13.555 -12.327 15.815 1.00 2.22 H new ATOM 0 HB2 ASP A 69 -10.793 -13.255 14.854 1.00 41.24 H new ATOM 0 HB3 ASP A 69 -11.872 -14.137 15.916 1.00 41.24 H new ATOM 1085 N GLY A 70 -11.376 -10.155 16.385 1.00 70.21 N ATOM 1086 CA GLY A 70 -10.516 -9.411 17.323 1.00 62.13 C ATOM 1087 C GLY A 70 -9.041 -9.833 17.241 1.00 62.20 C ATOM 1088 O GLY A 70 -8.267 -9.603 18.170 1.00 2.32 O ATOM 0 H GLY A 70 -11.637 -9.624 15.554 1.00 70.21 H new ATOM 0 HA2 GLY A 70 -10.596 -8.344 17.114 1.00 62.13 H new ATOM 0 HA3 GLY A 70 -10.877 -9.565 18.340 1.00 62.13 H new ATOM 1092 N THR A 71 -8.660 -10.437 16.101 1.00 63.03 N ATOM 1093 CA THR A 71 -7.302 -10.983 15.870 1.00 61.11 C ATOM 1094 C THR A 71 -6.356 -9.900 15.295 1.00 3.42 C ATOM 1095 O THR A 71 -6.649 -9.304 14.264 1.00 61.34 O ATOM 1096 CB THR A 71 -7.375 -12.208 14.892 1.00 51.33 C ATOM 1097 OG1 THR A 71 -8.319 -13.169 15.403 1.00 35.10 O ATOM 1098 CG2 THR A 71 -6.003 -12.894 14.697 1.00 43.13 C ATOM 0 H THR A 71 -9.287 -10.563 15.306 1.00 63.03 H new ATOM 0 HA THR A 71 -6.900 -11.311 16.828 1.00 61.11 H new ATOM 0 HB THR A 71 -7.693 -11.831 13.920 1.00 51.33 H new ATOM 0 HG1 THR A 71 -8.368 -13.935 14.794 1.00 35.10 H new ATOM 0 HG21 THR A 71 -6.111 -13.735 14.012 1.00 43.13 H new ATOM 0 HG22 THR A 71 -5.293 -12.177 14.284 1.00 43.13 H new ATOM 0 HG23 THR A 71 -5.636 -13.254 15.658 1.00 43.13 H new ATOM 1106 N LYS A 72 -5.228 -9.652 15.982 1.00 4.52 N ATOM 1107 CA LYS A 72 -4.241 -8.614 15.593 1.00 20.31 C ATOM 1108 C LYS A 72 -3.124 -9.202 14.692 1.00 13.52 C ATOM 1109 O LYS A 72 -2.311 -10.010 15.147 1.00 55.45 O ATOM 1110 CB LYS A 72 -3.628 -7.942 16.868 1.00 4.41 C ATOM 1111 CG LYS A 72 -4.471 -6.794 17.480 1.00 50.14 C ATOM 1112 CD LYS A 72 -5.883 -7.213 17.953 1.00 42.24 C ATOM 1113 CE LYS A 72 -6.708 -6.010 18.451 1.00 21.11 C ATOM 1114 NZ LYS A 72 -6.102 -5.370 19.648 1.00 50.12 N ATOM 0 H LYS A 72 -4.969 -10.163 16.826 1.00 4.52 H new ATOM 0 HA LYS A 72 -4.764 -7.854 15.013 1.00 20.31 H new ATOM 0 HB2 LYS A 72 -3.482 -8.709 17.629 1.00 4.41 H new ATOM 0 HB3 LYS A 72 -2.642 -7.552 16.615 1.00 4.41 H new ATOM 0 HG2 LYS A 72 -3.928 -6.374 18.327 1.00 50.14 H new ATOM 0 HG3 LYS A 72 -4.571 -6.000 16.740 1.00 50.14 H new ATOM 0 HD2 LYS A 72 -6.410 -7.699 17.132 1.00 42.24 H new ATOM 0 HD3 LYS A 72 -5.794 -7.947 18.754 1.00 42.24 H new ATOM 0 HE2 LYS A 72 -6.793 -5.274 17.651 1.00 21.11 H new ATOM 0 HE3 LYS A 72 -7.719 -6.339 18.690 1.00 21.11 H new ATOM 0 HZ1 LYS A 72 -6.733 -4.621 19.998 1.00 50.12 H new ATOM 0 HZ2 LYS A 72 -5.966 -6.084 20.392 1.00 50.12 H new ATOM 0 HZ3 LYS A 72 -5.182 -4.957 19.393 1.00 50.12 H new ATOM 1128 N ALA A 73 -3.112 -8.792 13.406 1.00 35.44 N ATOM 1129 CA ALA A 73 -2.032 -9.132 12.449 1.00 12.50 C ATOM 1130 C ALA A 73 -1.146 -7.890 12.202 1.00 35.25 C ATOM 1131 O ALA A 73 -1.524 -6.986 11.447 1.00 72.23 O ATOM 1132 CB ALA A 73 -2.637 -9.659 11.135 1.00 31.54 C ATOM 0 H ALA A 73 -3.849 -8.216 13.000 1.00 35.44 H new ATOM 0 HA ALA A 73 -1.407 -9.920 12.869 1.00 12.50 H new ATOM 0 HB1 ALA A 73 -1.836 -9.906 10.439 1.00 31.54 H new ATOM 0 HB2 ALA A 73 -3.228 -10.552 11.339 1.00 31.54 H new ATOM 0 HB3 ALA A 73 -3.276 -8.893 10.696 1.00 31.54 H new ATOM 1138 N ARG A 74 0.033 -7.853 12.849 1.00 21.33 N ATOM 1139 CA ARG A 74 0.907 -6.657 12.863 1.00 54.41 C ATOM 1140 C ARG A 74 1.669 -6.457 11.522 1.00 64.01 C ATOM 1141 O ARG A 74 1.829 -7.390 10.726 1.00 20.01 O ATOM 1142 CB ARG A 74 1.921 -6.730 14.047 1.00 44.21 C ATOM 1143 CG ARG A 74 1.301 -7.064 15.433 1.00 34.52 C ATOM 1144 CD ARG A 74 2.303 -6.877 16.587 1.00 60.43 C ATOM 1145 NE ARG A 74 2.671 -5.463 16.771 1.00 61.33 N ATOM 1146 CZ ARG A 74 3.618 -5.019 17.567 1.00 74.12 C ATOM 1147 NH1 ARG A 74 4.368 -5.835 18.245 1.00 34.35 N ATOM 1148 NH2 ARG A 74 3.816 -3.747 17.674 1.00 33.25 N ATOM 0 H ARG A 74 0.408 -8.643 13.374 1.00 21.33 H new ATOM 0 HA ARG A 74 0.254 -5.795 12.997 1.00 54.41 H new ATOM 0 HB2 ARG A 74 2.674 -7.483 13.813 1.00 44.21 H new ATOM 0 HB3 ARG A 74 2.439 -5.774 14.120 1.00 44.21 H new ATOM 0 HG2 ARG A 74 0.433 -6.426 15.603 1.00 34.52 H new ATOM 0 HG3 ARG A 74 0.944 -8.094 15.429 1.00 34.52 H new ATOM 0 HD2 ARG A 74 1.870 -7.262 17.510 1.00 60.43 H new ATOM 0 HD3 ARG A 74 3.200 -7.463 16.387 1.00 60.43 H new ATOM 0 HE ARG A 74 2.147 -4.770 16.236 1.00 61.33 H new ATOM 0 HH11 ARG A 74 4.228 -6.842 18.165 1.00 34.35 H new ATOM 0 HH12 ARG A 74 5.097 -5.468 18.857 1.00 34.35 H new ATOM 0 HH21 ARG A 74 3.239 -3.095 17.143 1.00 33.25 H new ATOM 0 HH22 ARG A 74 4.549 -3.395 18.290 1.00 33.25 H new ATOM 1162 N GLY A 75 2.102 -5.210 11.275 1.00 2.21 N ATOM 1163 CA GLY A 75 2.991 -4.883 10.153 1.00 74.41 C ATOM 1164 C GLY A 75 3.922 -3.703 10.446 1.00 32.04 C ATOM 1165 O GLY A 75 3.659 -2.900 11.353 1.00 31.33 O ATOM 0 H GLY A 75 1.846 -4.405 11.846 1.00 2.21 H new ATOM 0 HA2 GLY A 75 3.591 -5.759 9.906 1.00 74.41 H new ATOM 0 HA3 GLY A 75 2.388 -4.652 9.275 1.00 74.41 H new ATOM 1169 N TRP A 76 5.014 -3.599 9.666 1.00 24.31 N ATOM 1170 CA TRP A 76 6.003 -2.498 9.776 1.00 44.40 C ATOM 1171 C TRP A 76 6.211 -1.827 8.399 1.00 65.42 C ATOM 1172 O TRP A 76 6.106 -2.479 7.360 1.00 75.43 O ATOM 1173 CB TRP A 76 7.367 -3.038 10.316 1.00 24.50 C ATOM 1174 CG TRP A 76 8.010 -4.095 9.428 1.00 13.10 C ATOM 1175 CD1 TRP A 76 7.852 -5.450 9.512 1.00 1.01 C ATOM 1176 CD2 TRP A 76 8.908 -3.876 8.312 1.00 63.15 C ATOM 1177 NE1 TRP A 76 8.544 -6.074 8.507 1.00 71.21 N ATOM 1178 CE2 TRP A 76 9.209 -5.132 7.767 1.00 0.00 C ATOM 1179 CE3 TRP A 76 9.470 -2.736 7.718 1.00 21.44 C ATOM 1180 CZ2 TRP A 76 10.042 -5.287 6.661 1.00 71.42 C ATOM 1181 CZ3 TRP A 76 10.298 -2.888 6.626 1.00 42.42 C ATOM 1182 CH2 TRP A 76 10.576 -4.156 6.104 1.00 45.14 C ATOM 0 H TRP A 76 5.241 -4.276 8.938 1.00 24.31 H new ATOM 0 HA TRP A 76 5.617 -1.758 10.477 1.00 44.40 H new ATOM 0 HB2 TRP A 76 8.058 -2.203 10.428 1.00 24.50 H new ATOM 0 HB3 TRP A 76 7.212 -3.458 11.310 1.00 24.50 H new ATOM 0 HD1 TRP A 76 7.265 -5.957 10.264 1.00 1.01 H new ATOM 0 HE1 TRP A 76 8.561 -7.080 8.337 1.00 71.21 H new ATOM 0 HE3 TRP A 76 9.257 -1.753 8.111 1.00 21.44 H new ATOM 0 HZ2 TRP A 76 10.259 -6.265 6.257 1.00 71.42 H new ATOM 0 HZ3 TRP A 76 10.738 -2.015 6.167 1.00 42.42 H new ATOM 0 HH2 TRP A 76 11.224 -4.244 5.245 1.00 45.14 H new ATOM 1193 N TRP A 77 6.520 -0.528 8.408 1.00 42.04 N ATOM 1194 CA TRP A 77 6.927 0.233 7.204 1.00 22.34 C ATOM 1195 C TRP A 77 8.332 0.835 7.389 1.00 2.55 C ATOM 1196 O TRP A 77 8.829 0.955 8.511 1.00 30.34 O ATOM 1197 CB TRP A 77 5.927 1.385 6.896 1.00 12.32 C ATOM 1198 CG TRP A 77 4.630 0.996 6.222 1.00 51.45 C ATOM 1199 CD1 TRP A 77 4.012 -0.220 6.209 1.00 21.50 C ATOM 1200 CD2 TRP A 77 3.793 1.866 5.456 1.00 72.32 C ATOM 1201 NE1 TRP A 77 2.851 -0.156 5.484 1.00 53.52 N ATOM 1202 CE2 TRP A 77 2.697 1.119 5.012 1.00 71.04 C ATOM 1203 CE3 TRP A 77 3.878 3.206 5.099 1.00 3.22 C ATOM 1204 CZ2 TRP A 77 1.693 1.679 4.235 1.00 11.45 C ATOM 1205 CZ3 TRP A 77 2.880 3.760 4.326 1.00 23.20 C ATOM 1206 CH2 TRP A 77 1.801 2.993 3.902 1.00 71.41 C ATOM 0 H TRP A 77 6.497 0.039 9.256 1.00 42.04 H new ATOM 0 HA TRP A 77 6.932 -0.468 6.369 1.00 22.34 H new ATOM 0 HB2 TRP A 77 5.686 1.887 7.833 1.00 12.32 H new ATOM 0 HB3 TRP A 77 6.433 2.115 6.265 1.00 12.32 H new ATOM 0 HD1 TRP A 77 4.385 -1.107 6.700 1.00 21.50 H new ATOM 0 HE1 TRP A 77 2.208 -0.931 5.323 1.00 53.52 H new ATOM 0 HE3 TRP A 77 4.715 3.806 5.423 1.00 3.22 H new ATOM 0 HZ2 TRP A 77 0.851 1.089 3.905 1.00 11.45 H new ATOM 0 HZ3 TRP A 77 2.937 4.802 4.047 1.00 23.20 H new ATOM 0 HH2 TRP A 77 1.033 3.450 3.296 1.00 71.41 H new ATOM 1217 N GLN A 78 8.955 1.194 6.264 1.00 25.14 N ATOM 1218 CA GLN A 78 10.107 2.108 6.221 1.00 33.53 C ATOM 1219 C GLN A 78 9.993 2.990 4.968 1.00 53.10 C ATOM 1220 O GLN A 78 10.212 2.518 3.856 1.00 21.35 O ATOM 1221 CB GLN A 78 11.465 1.338 6.237 1.00 32.14 C ATOM 1222 CG GLN A 78 12.704 2.244 6.001 1.00 65.23 C ATOM 1223 CD GLN A 78 14.052 1.541 6.177 1.00 63.43 C ATOM 1224 OE1 GLN A 78 14.176 0.336 5.978 1.00 54.24 O ATOM 1225 NE2 GLN A 78 15.076 2.304 6.528 1.00 13.23 N ATOM 0 H GLN A 78 8.673 0.856 5.344 1.00 25.14 H new ATOM 0 HA GLN A 78 10.092 2.731 7.115 1.00 33.53 H new ATOM 0 HB2 GLN A 78 11.574 0.833 7.197 1.00 32.14 H new ATOM 0 HB3 GLN A 78 11.442 0.564 5.470 1.00 32.14 H new ATOM 0 HG2 GLN A 78 12.652 2.653 4.992 1.00 65.23 H new ATOM 0 HG3 GLN A 78 12.657 3.088 6.689 1.00 65.23 H new ATOM 0 HE21 GLN A 78 14.938 3.302 6.686 1.00 13.23 H new ATOM 0 HE22 GLN A 78 16.003 1.893 6.641 1.00 13.23 H new ATOM 1234 N PHE A 79 9.631 4.268 5.168 1.00 1.40 N ATOM 1235 CA PHE A 79 9.555 5.278 4.096 1.00 51.54 C ATOM 1236 C PHE A 79 10.946 5.521 3.478 1.00 4.13 C ATOM 1237 O PHE A 79 11.803 6.182 4.066 1.00 13.41 O ATOM 1238 CB PHE A 79 8.968 6.593 4.640 1.00 65.54 C ATOM 1239 CG PHE A 79 7.531 6.469 5.132 1.00 71.23 C ATOM 1240 CD1 PHE A 79 6.466 6.634 4.252 1.00 14.50 C ATOM 1241 CD2 PHE A 79 7.246 6.203 6.468 1.00 54.41 C ATOM 1242 CE1 PHE A 79 5.169 6.544 4.694 1.00 10.44 C ATOM 1243 CE2 PHE A 79 5.943 6.116 6.912 1.00 42.13 C ATOM 1244 CZ PHE A 79 4.907 6.290 6.026 1.00 45.53 C ATOM 0 H PHE A 79 9.380 4.634 6.087 1.00 1.40 H new ATOM 0 HA PHE A 79 8.896 4.901 3.314 1.00 51.54 H new ATOM 0 HB2 PHE A 79 9.593 6.947 5.459 1.00 65.54 H new ATOM 0 HB3 PHE A 79 9.010 7.350 3.857 1.00 65.54 H new ATOM 0 HD1 PHE A 79 6.662 6.835 3.209 1.00 14.50 H new ATOM 0 HD2 PHE A 79 8.057 6.063 7.167 1.00 54.41 H new ATOM 0 HE1 PHE A 79 4.352 6.672 3.999 1.00 10.44 H new ATOM 0 HE2 PHE A 79 5.738 5.912 7.952 1.00 42.13 H new ATOM 0 HZ PHE A 79 3.886 6.228 6.372 1.00 45.53 H new ATOM 1254 N THR A 80 11.148 4.957 2.294 1.00 45.43 N ATOM 1255 CA THR A 80 12.458 4.882 1.630 1.00 21.31 C ATOM 1256 C THR A 80 12.755 6.159 0.795 1.00 2.33 C ATOM 1257 O THR A 80 13.900 6.632 0.744 1.00 4.34 O ATOM 1258 CB THR A 80 12.486 3.616 0.711 1.00 72.54 C ATOM 1259 OG1 THR A 80 11.733 2.551 1.323 1.00 63.42 O ATOM 1260 CG2 THR A 80 13.900 3.097 0.431 1.00 54.41 C ATOM 0 H THR A 80 10.397 4.529 1.752 1.00 45.43 H new ATOM 0 HA THR A 80 13.232 4.810 2.394 1.00 21.31 H new ATOM 0 HB THR A 80 12.048 3.924 -0.239 1.00 72.54 H new ATOM 0 HG1 THR A 80 12.240 1.715 1.262 1.00 63.42 H new ATOM 0 HG21 THR A 80 13.844 2.218 -0.212 1.00 54.41 H new ATOM 0 HG22 THR A 80 14.481 3.874 -0.066 1.00 54.41 H new ATOM 0 HG23 THR A 80 14.382 2.829 1.371 1.00 54.41 H new ATOM 1268 N THR A 81 11.701 6.705 0.150 1.00 34.00 N ATOM 1269 CA THR A 81 11.792 7.897 -0.736 1.00 2.34 C ATOM 1270 C THR A 81 10.443 8.648 -0.762 1.00 12.22 C ATOM 1271 O THR A 81 9.453 8.135 -1.284 1.00 30.14 O ATOM 1272 CB THR A 81 12.196 7.503 -2.207 1.00 1.43 C ATOM 1273 OG1 THR A 81 13.510 6.916 -2.229 1.00 12.12 O ATOM 1274 CG2 THR A 81 12.153 8.697 -3.187 1.00 51.43 C ATOM 0 H THR A 81 10.755 6.332 0.227 1.00 34.00 H new ATOM 0 HA THR A 81 12.569 8.544 -0.329 1.00 2.34 H new ATOM 0 HB THR A 81 11.455 6.778 -2.542 1.00 1.43 H new ATOM 0 HG1 THR A 81 13.745 6.675 -3.149 1.00 12.12 H new ATOM 0 HG21 THR A 81 12.441 8.361 -4.183 1.00 51.43 H new ATOM 0 HG22 THR A 81 11.143 9.104 -3.220 1.00 51.43 H new ATOM 0 HG23 THR A 81 12.845 9.469 -2.850 1.00 51.43 H new ATOM 1282 N ILE A 82 10.402 9.864 -0.186 1.00 12.22 N ATOM 1283 CA ILE A 82 9.214 10.748 -0.240 1.00 70.34 C ATOM 1284 C ILE A 82 9.575 12.051 -0.976 1.00 73.04 C ATOM 1285 O ILE A 82 10.250 12.916 -0.409 1.00 64.14 O ATOM 1286 CB ILE A 82 8.652 11.097 1.195 1.00 62.35 C ATOM 1287 CG1 ILE A 82 8.390 9.800 2.022 1.00 54.54 C ATOM 1288 CG2 ILE A 82 7.369 11.973 1.090 1.00 23.23 C ATOM 1289 CD1 ILE A 82 7.759 10.022 3.387 1.00 22.24 C ATOM 0 H ILE A 82 11.186 10.264 0.329 1.00 12.22 H new ATOM 0 HA ILE A 82 8.433 10.208 -0.775 1.00 70.34 H new ATOM 0 HB ILE A 82 9.407 11.678 1.724 1.00 62.35 H new ATOM 0 HG12 ILE A 82 7.742 9.143 1.442 1.00 54.54 H new ATOM 0 HG13 ILE A 82 9.336 9.277 2.157 1.00 54.54 H new ATOM 0 HG21 ILE A 82 7.001 12.200 2.090 1.00 23.23 H new ATOM 0 HG22 ILE A 82 7.604 12.902 0.570 1.00 23.23 H new ATOM 0 HG23 ILE A 82 6.603 11.431 0.536 1.00 23.23 H new ATOM 0 HD11 ILE A 82 7.617 9.062 3.883 1.00 22.24 H new ATOM 0 HD12 ILE A 82 8.413 10.650 3.992 1.00 22.24 H new ATOM 0 HD13 ILE A 82 6.794 10.514 3.266 1.00 22.24 H new ATOM 1301 N GLU A 83 9.151 12.175 -2.241 1.00 21.14 N ATOM 1302 CA GLU A 83 9.330 13.425 -3.010 1.00 43.34 C ATOM 1303 C GLU A 83 8.134 14.380 -2.793 1.00 4.32 C ATOM 1304 O GLU A 83 8.337 15.553 -2.462 1.00 73.33 O ATOM 1305 CB GLU A 83 9.541 13.136 -4.517 1.00 12.42 C ATOM 1306 CG GLU A 83 10.843 12.369 -4.853 1.00 73.30 C ATOM 1307 CD GLU A 83 11.258 12.510 -6.331 1.00 53.20 C ATOM 1308 OE1 GLU A 83 11.638 13.627 -6.744 1.00 22.33 O ATOM 1309 OE2 GLU A 83 11.211 11.520 -7.078 1.00 62.14 O ATOM 0 H GLU A 83 8.682 11.430 -2.757 1.00 21.14 H new ATOM 0 HA GLU A 83 10.230 13.916 -2.639 1.00 43.34 H new ATOM 0 HB2 GLU A 83 8.691 12.561 -4.885 1.00 12.42 H new ATOM 0 HB3 GLU A 83 9.543 14.082 -5.058 1.00 12.42 H new ATOM 0 HG2 GLU A 83 11.649 12.736 -4.218 1.00 73.30 H new ATOM 0 HG3 GLU A 83 10.708 11.313 -4.618 1.00 73.30 H new ATOM 1316 N ALA A 84 6.900 13.845 -2.982 1.00 24.31 N ATOM 1317 CA ALA A 84 5.617 14.588 -2.811 1.00 71.33 C ATOM 1318 C ALA A 84 5.404 15.702 -3.891 1.00 21.22 C ATOM 1319 O ALA A 84 6.365 16.358 -4.307 1.00 61.12 O ATOM 1320 CB ALA A 84 5.478 15.150 -1.373 1.00 23.10 C ATOM 0 H ALA A 84 6.763 12.874 -3.261 1.00 24.31 H new ATOM 0 HA ALA A 84 4.818 13.863 -2.967 1.00 71.33 H new ATOM 0 HB1 ALA A 84 4.533 15.686 -1.281 1.00 23.10 H new ATOM 0 HB2 ALA A 84 5.500 14.328 -0.657 1.00 23.10 H new ATOM 0 HB3 ALA A 84 6.303 15.832 -1.168 1.00 23.10 H new ATOM 1326 N PRO A 85 4.136 15.974 -4.361 1.00 64.44 N ATOM 1327 CA PRO A 85 2.880 15.351 -3.860 1.00 40.20 C ATOM 1328 C PRO A 85 2.431 14.076 -4.625 1.00 22.05 C ATOM 1329 O PRO A 85 1.289 13.654 -4.473 1.00 42.43 O ATOM 1330 CB PRO A 85 1.877 16.504 -4.082 1.00 22.01 C ATOM 1331 CG PRO A 85 2.318 17.120 -5.384 1.00 45.03 C ATOM 1332 CD PRO A 85 3.835 16.965 -5.435 1.00 21.42 C ATOM 0 HA PRO A 85 2.980 14.989 -2.837 1.00 40.20 H new ATOM 0 HB2 PRO A 85 0.852 16.137 -4.140 1.00 22.01 H new ATOM 0 HB3 PRO A 85 1.911 17.226 -3.266 1.00 22.01 H new ATOM 0 HG2 PRO A 85 1.847 16.620 -6.230 1.00 45.03 H new ATOM 0 HG3 PRO A 85 2.032 18.171 -5.434 1.00 45.03 H new ATOM 0 HD2 PRO A 85 4.167 16.609 -6.410 1.00 21.42 H new ATOM 0 HD3 PRO A 85 4.339 17.914 -5.254 1.00 21.42 H new ATOM 1340 N ASP A 86 3.323 13.461 -5.429 1.00 61.41 N ATOM 1341 CA ASP A 86 2.954 12.288 -6.269 1.00 54.45 C ATOM 1342 C ASP A 86 3.832 11.030 -6.025 1.00 4.22 C ATOM 1343 O ASP A 86 3.313 9.910 -6.002 1.00 65.52 O ATOM 1344 CB ASP A 86 2.937 12.695 -7.770 1.00 22.15 C ATOM 1345 CG ASP A 86 4.235 13.342 -8.258 1.00 64.33 C ATOM 1346 OD1 ASP A 86 4.411 14.560 -8.039 1.00 13.44 O ATOM 1347 OD2 ASP A 86 5.082 12.650 -8.865 1.00 24.12 O ATOM 0 H ASP A 86 4.297 13.749 -5.519 1.00 61.41 H new ATOM 0 HA ASP A 86 1.951 11.989 -5.964 1.00 54.45 H new ATOM 0 HB2 ASP A 86 2.736 11.809 -8.373 1.00 22.15 H new ATOM 0 HB3 ASP A 86 2.113 13.388 -7.938 1.00 22.15 H new ATOM 1352 N HIS A 87 5.149 11.208 -5.823 1.00 3.22 N ATOM 1353 CA HIS A 87 6.104 10.075 -5.695 1.00 3.50 C ATOM 1354 C HIS A 87 6.326 9.680 -4.204 1.00 21.41 C ATOM 1355 O HIS A 87 6.864 10.463 -3.407 1.00 43.41 O ATOM 1356 CB HIS A 87 7.448 10.453 -6.376 1.00 14.51 C ATOM 1357 CG HIS A 87 8.410 9.311 -6.637 1.00 73.34 C ATOM 1358 ND1 HIS A 87 9.454 9.413 -7.529 1.00 41.54 N ATOM 1359 CD2 HIS A 87 8.514 8.061 -6.111 1.00 44.11 C ATOM 1360 CE1 HIS A 87 10.150 8.298 -7.539 1.00 35.00 C ATOM 1361 NE2 HIS A 87 9.602 7.463 -6.691 1.00 12.22 N ATOM 0 H HIS A 87 5.585 12.127 -5.744 1.00 3.22 H new ATOM 0 HA HIS A 87 5.681 9.204 -6.196 1.00 3.50 H new ATOM 0 HB2 HIS A 87 7.226 10.938 -7.327 1.00 14.51 H new ATOM 0 HB3 HIS A 87 7.953 11.191 -5.752 1.00 14.51 H new ATOM 0 HD1 HIS A 87 9.658 10.234 -8.099 1.00 41.54 H new ATOM 0 HD2 HIS A 87 7.860 7.621 -5.373 1.00 44.11 H new ATOM 0 HE1 HIS A 87 11.024 8.103 -8.143 1.00 35.00 H new ATOM 1370 N LEU A 88 5.913 8.448 -3.869 1.00 63.41 N ATOM 1371 CA LEU A 88 6.152 7.789 -2.565 1.00 34.33 C ATOM 1372 C LEU A 88 6.815 6.420 -2.800 1.00 13.13 C ATOM 1373 O LEU A 88 6.508 5.742 -3.782 1.00 51.21 O ATOM 1374 CB LEU A 88 4.813 7.596 -1.794 1.00 33.11 C ATOM 1375 CG LEU A 88 4.894 6.867 -0.413 1.00 32.31 C ATOM 1376 CD1 LEU A 88 5.794 7.633 0.577 1.00 11.34 C ATOM 1377 CD2 LEU A 88 3.492 6.627 0.182 1.00 75.30 C ATOM 0 H LEU A 88 5.386 7.860 -4.515 1.00 63.41 H new ATOM 0 HA LEU A 88 6.808 8.421 -1.967 1.00 34.33 H new ATOM 0 HB2 LEU A 88 4.368 8.578 -1.634 1.00 33.11 H new ATOM 0 HB3 LEU A 88 4.130 7.037 -2.434 1.00 33.11 H new ATOM 0 HG LEU A 88 5.350 5.892 -0.588 1.00 32.31 H new ATOM 0 HD11 LEU A 88 5.828 7.099 1.526 1.00 11.34 H new ATOM 0 HD12 LEU A 88 6.801 7.710 0.168 1.00 11.34 H new ATOM 0 HD13 LEU A 88 5.390 8.633 0.738 1.00 11.34 H new ATOM 0 HD21 LEU A 88 3.586 6.119 1.142 1.00 75.30 H new ATOM 0 HD22 LEU A 88 2.989 7.583 0.326 1.00 75.30 H new ATOM 0 HD23 LEU A 88 2.908 6.009 -0.500 1.00 75.30 H new ATOM 1389 N GLU A 89 7.750 6.040 -1.916 1.00 42.43 N ATOM 1390 CA GLU A 89 8.356 4.695 -1.878 1.00 12.21 C ATOM 1391 C GLU A 89 8.560 4.266 -0.418 1.00 44.35 C ATOM 1392 O GLU A 89 8.964 5.084 0.421 1.00 73.11 O ATOM 1393 CB GLU A 89 9.720 4.653 -2.627 1.00 40.40 C ATOM 1394 CG GLU A 89 9.634 4.935 -4.138 1.00 53.23 C ATOM 1395 CD GLU A 89 10.951 4.730 -4.897 1.00 12.11 C ATOM 1396 OE1 GLU A 89 11.329 3.562 -5.131 1.00 53.12 O ATOM 1397 OE2 GLU A 89 11.613 5.726 -5.259 1.00 60.12 O ATOM 0 H GLU A 89 8.113 6.665 -1.196 1.00 42.43 H new ATOM 0 HA GLU A 89 7.676 4.008 -2.382 1.00 12.21 H new ATOM 0 HB2 GLU A 89 10.391 5.382 -2.173 1.00 40.40 H new ATOM 0 HB3 GLU A 89 10.170 3.671 -2.480 1.00 40.40 H new ATOM 0 HG2 GLU A 89 8.873 4.287 -4.573 1.00 53.23 H new ATOM 0 HG3 GLU A 89 9.300 5.962 -4.285 1.00 53.23 H new ATOM 1404 N PHE A 90 8.282 2.990 -0.123 1.00 22.22 N ATOM 1405 CA PHE A 90 8.496 2.407 1.216 1.00 63.35 C ATOM 1406 C PHE A 90 8.700 0.882 1.137 1.00 4.21 C ATOM 1407 O PHE A 90 8.496 0.269 0.087 1.00 52.25 O ATOM 1408 CB PHE A 90 7.333 2.770 2.184 1.00 5.30 C ATOM 1409 CG PHE A 90 5.949 2.255 1.771 1.00 75.12 C ATOM 1410 CD1 PHE A 90 5.515 0.978 2.145 1.00 53.21 C ATOM 1411 CD2 PHE A 90 5.085 3.048 1.012 1.00 60.52 C ATOM 1412 CE1 PHE A 90 4.266 0.516 1.775 1.00 20.01 C ATOM 1413 CE2 PHE A 90 3.835 2.584 0.645 1.00 72.23 C ATOM 1414 CZ PHE A 90 3.427 1.319 1.024 1.00 52.12 C ATOM 0 H PHE A 90 7.903 2.330 -0.802 1.00 22.22 H new ATOM 0 HA PHE A 90 9.410 2.842 1.621 1.00 63.35 H new ATOM 0 HB2 PHE A 90 7.569 2.375 3.172 1.00 5.30 H new ATOM 0 HB3 PHE A 90 7.285 3.855 2.277 1.00 5.30 H new ATOM 0 HD1 PHE A 90 6.165 0.345 2.731 1.00 53.21 H new ATOM 0 HD2 PHE A 90 5.397 4.036 0.708 1.00 60.52 H new ATOM 0 HE1 PHE A 90 3.945 -0.472 2.072 1.00 20.01 H new ATOM 0 HE2 PHE A 90 3.177 3.211 0.062 1.00 72.23 H new ATOM 0 HZ PHE A 90 2.452 0.957 0.733 1.00 52.12 H new ATOM 1424 N ASP A 91 9.104 0.292 2.265 1.00 42.15 N ATOM 1425 CA ASP A 91 9.234 -1.169 2.427 1.00 72.04 C ATOM 1426 C ASP A 91 8.251 -1.683 3.491 1.00 51.33 C ATOM 1427 O ASP A 91 7.986 -0.997 4.472 1.00 50.35 O ATOM 1428 CB ASP A 91 10.678 -1.549 2.812 1.00 33.40 C ATOM 1429 CG ASP A 91 11.671 -1.306 1.669 1.00 45.03 C ATOM 1430 OD1 ASP A 91 11.737 -2.144 0.744 1.00 22.43 O ATOM 1431 OD2 ASP A 91 12.361 -0.264 1.654 1.00 14.31 O ATOM 0 H ASP A 91 9.354 0.816 3.104 1.00 42.15 H new ATOM 0 HA ASP A 91 8.995 -1.638 1.473 1.00 72.04 H new ATOM 0 HB2 ASP A 91 10.983 -0.970 3.684 1.00 33.40 H new ATOM 0 HB3 ASP A 91 10.710 -2.600 3.100 1.00 33.40 H new ATOM 1436 N ASP A 92 7.736 -2.898 3.277 1.00 14.51 N ATOM 1437 CA ASP A 92 6.800 -3.578 4.192 1.00 45.54 C ATOM 1438 C ASP A 92 7.005 -5.098 4.043 1.00 54.23 C ATOM 1439 O ASP A 92 7.114 -5.601 2.930 1.00 75.42 O ATOM 1440 CB ASP A 92 5.326 -3.167 3.862 1.00 32.14 C ATOM 1441 CG ASP A 92 4.230 -3.626 4.869 1.00 52.22 C ATOM 1442 OD1 ASP A 92 4.506 -4.398 5.829 1.00 42.12 O ATOM 1443 OD2 ASP A 92 3.068 -3.190 4.691 1.00 55.02 O ATOM 0 H ASP A 92 7.959 -3.451 2.449 1.00 14.51 H new ATOM 0 HA ASP A 92 6.994 -3.286 5.224 1.00 45.54 H new ATOM 0 HB2 ASP A 92 5.285 -2.080 3.786 1.00 32.14 H new ATOM 0 HB3 ASP A 92 5.074 -3.565 2.879 1.00 32.14 H new ATOM 1448 N GLY A 93 7.092 -5.808 5.167 1.00 63.13 N ATOM 1449 CA GLY A 93 7.234 -7.276 5.165 1.00 65.32 C ATOM 1450 C GLY A 93 6.423 -7.936 6.266 1.00 61.24 C ATOM 1451 O GLY A 93 6.587 -9.141 6.529 1.00 70.41 O ATOM 0 H GLY A 93 7.067 -5.394 6.099 1.00 63.13 H new ATOM 0 HA2 GLY A 93 6.917 -7.668 4.199 1.00 65.32 H new ATOM 0 HA3 GLY A 93 8.285 -7.537 5.285 1.00 65.32 H new ATOM 1455 N PHE A 94 5.541 -7.125 6.904 1.00 31.55 N ATOM 1456 CA PHE A 94 4.680 -7.519 8.046 1.00 54.22 C ATOM 1457 C PHE A 94 5.493 -7.896 9.301 1.00 55.24 C ATOM 1458 O PHE A 94 6.646 -8.312 9.223 1.00 11.21 O ATOM 1459 CB PHE A 94 3.694 -8.665 7.680 1.00 75.51 C ATOM 1460 CG PHE A 94 2.672 -8.289 6.610 1.00 22.02 C ATOM 1461 CD1 PHE A 94 1.441 -7.726 6.960 1.00 62.02 C ATOM 1462 CD2 PHE A 94 2.940 -8.494 5.257 1.00 30.01 C ATOM 1463 CE1 PHE A 94 0.515 -7.387 5.992 1.00 62.31 C ATOM 1464 CE2 PHE A 94 2.013 -8.155 4.291 1.00 34.04 C ATOM 1465 CZ PHE A 94 0.802 -7.601 4.658 1.00 75.30 C ATOM 0 H PHE A 94 5.406 -6.152 6.630 1.00 31.55 H new ATOM 0 HA PHE A 94 4.093 -6.632 8.283 1.00 54.22 H new ATOM 0 HB2 PHE A 94 4.266 -9.526 7.334 1.00 75.51 H new ATOM 0 HB3 PHE A 94 3.164 -8.975 8.580 1.00 75.51 H new ATOM 0 HD1 PHE A 94 1.211 -7.554 8.001 1.00 62.02 H new ATOM 0 HD2 PHE A 94 3.885 -8.924 4.960 1.00 30.01 H new ATOM 0 HE1 PHE A 94 -0.433 -6.955 6.278 1.00 62.31 H new ATOM 0 HE2 PHE A 94 2.235 -8.323 3.248 1.00 34.04 H new ATOM 0 HZ PHE A 94 0.079 -7.335 3.901 1.00 75.30 H new ATOM 1475 N ALA A 95 4.870 -7.734 10.462 1.00 44.04 N ATOM 1476 CA ALA A 95 5.458 -8.094 11.766 1.00 21.01 C ATOM 1477 C ALA A 95 4.578 -9.167 12.432 1.00 24.33 C ATOM 1478 O ALA A 95 3.358 -9.164 12.251 1.00 32.45 O ATOM 1479 CB ALA A 95 5.578 -6.838 12.636 1.00 64.54 C ATOM 0 H ALA A 95 3.930 -7.345 10.536 1.00 44.04 H new ATOM 0 HA ALA A 95 6.459 -8.505 11.635 1.00 21.01 H new ATOM 0 HB1 ALA A 95 6.012 -7.103 13.600 1.00 64.54 H new ATOM 0 HB2 ALA A 95 6.218 -6.110 12.138 1.00 64.54 H new ATOM 0 HB3 ALA A 95 4.589 -6.406 12.790 1.00 64.54 H new ATOM 1485 N ASP A 96 5.189 -10.090 13.176 1.00 42.31 N ATOM 1486 CA ASP A 96 4.449 -11.212 13.807 1.00 44.22 C ATOM 1487 C ASP A 96 3.724 -10.737 15.100 1.00 12.01 C ATOM 1488 O ASP A 96 3.700 -9.537 15.398 1.00 72.12 O ATOM 1489 CB ASP A 96 5.424 -12.397 14.075 1.00 61.53 C ATOM 1490 CG ASP A 96 6.224 -12.253 15.376 1.00 53.33 C ATOM 1491 OD1 ASP A 96 6.992 -11.289 15.512 1.00 33.41 O ATOM 1492 OD2 ASP A 96 6.030 -13.072 16.288 1.00 11.34 O ATOM 0 H ASP A 96 6.192 -10.093 13.363 1.00 42.31 H new ATOM 0 HA ASP A 96 3.674 -11.565 13.127 1.00 44.22 H new ATOM 0 HB2 ASP A 96 4.853 -13.325 14.110 1.00 61.53 H new ATOM 0 HB3 ASP A 96 6.118 -12.481 13.239 1.00 61.53 H new ATOM 1497 N GLU A 97 3.160 -11.681 15.872 1.00 24.10 N ATOM 1498 CA GLU A 97 2.431 -11.378 17.131 1.00 25.12 C ATOM 1499 C GLU A 97 3.328 -10.699 18.208 1.00 14.43 C ATOM 1500 O GLU A 97 2.819 -10.091 19.155 1.00 43.10 O ATOM 1501 CB GLU A 97 1.815 -12.687 17.687 1.00 32.42 C ATOM 1502 CG GLU A 97 2.845 -13.782 18.052 1.00 71.34 C ATOM 1503 CD GLU A 97 2.184 -15.106 18.460 1.00 53.13 C ATOM 1504 OE1 GLU A 97 1.806 -15.893 17.566 1.00 32.43 O ATOM 1505 OE2 GLU A 97 2.011 -15.354 19.671 1.00 41.02 O ATOM 0 H GLU A 97 3.192 -12.676 15.648 1.00 24.10 H new ATOM 0 HA GLU A 97 1.646 -10.660 16.893 1.00 25.12 H new ATOM 0 HB2 GLU A 97 1.229 -12.448 18.574 1.00 32.42 H new ATOM 0 HB3 GLU A 97 1.123 -13.090 16.947 1.00 32.42 H new ATOM 0 HG2 GLU A 97 3.501 -13.956 17.199 1.00 71.34 H new ATOM 0 HG3 GLU A 97 3.472 -13.427 18.870 1.00 71.34 H new ATOM 1512 N HIS A 98 4.664 -10.818 18.056 1.00 21.44 N ATOM 1513 CA HIS A 98 5.654 -10.181 18.959 1.00 71.14 C ATOM 1514 C HIS A 98 6.223 -8.867 18.358 1.00 0.35 C ATOM 1515 O HIS A 98 6.772 -8.036 19.092 1.00 64.51 O ATOM 1516 CB HIS A 98 6.806 -11.174 19.264 1.00 64.54 C ATOM 1517 CG HIS A 98 6.349 -12.500 19.804 1.00 32.11 C ATOM 1518 ND1 HIS A 98 5.697 -12.639 21.006 1.00 62.44 N ATOM 1519 CD2 HIS A 98 6.409 -13.744 19.276 1.00 3.24 C ATOM 1520 CE1 HIS A 98 5.381 -13.901 21.195 1.00 42.33 C ATOM 1521 NE2 HIS A 98 5.802 -14.593 20.162 1.00 53.40 N ATOM 0 H HIS A 98 5.090 -11.359 17.303 1.00 21.44 H new ATOM 0 HA HIS A 98 5.142 -9.922 19.886 1.00 71.14 H new ATOM 0 HB2 HIS A 98 7.376 -11.343 18.351 1.00 64.54 H new ATOM 0 HB3 HIS A 98 7.485 -10.716 19.983 1.00 64.54 H new ATOM 0 HD2 HIS A 98 6.854 -14.017 18.330 1.00 3.24 H new ATOM 0 HE1 HIS A 98 4.863 -14.301 22.054 1.00 42.33 H new ATOM 0 HE2 HIS A 98 5.694 -15.600 20.039 1.00 53.40 H new ATOM 1530 N GLY A 99 6.095 -8.688 17.028 1.00 42.34 N ATOM 1531 CA GLY A 99 6.523 -7.441 16.354 1.00 23.00 C ATOM 1532 C GLY A 99 7.853 -7.551 15.602 1.00 33.23 C ATOM 1533 O GLY A 99 8.371 -6.543 15.105 1.00 53.30 O ATOM 0 H GLY A 99 5.700 -9.387 16.399 1.00 42.34 H new ATOM 0 HA2 GLY A 99 5.747 -7.138 15.652 1.00 23.00 H new ATOM 0 HA3 GLY A 99 6.606 -6.650 17.099 1.00 23.00 H new ATOM 1537 N ALA A 100 8.405 -8.769 15.518 1.00 54.33 N ATOM 1538 CA ALA A 100 9.599 -9.060 14.700 1.00 34.41 C ATOM 1539 C ALA A 100 9.190 -9.243 13.207 1.00 2.43 C ATOM 1540 O ALA A 100 8.174 -9.897 12.937 1.00 43.41 O ATOM 1541 CB ALA A 100 10.318 -10.312 15.235 1.00 52.04 C ATOM 0 H ALA A 100 8.040 -9.582 16.013 1.00 54.33 H new ATOM 0 HA ALA A 100 10.291 -8.220 14.764 1.00 34.41 H new ATOM 0 HB1 ALA A 100 11.197 -10.516 14.623 1.00 52.04 H new ATOM 0 HB2 ALA A 100 10.626 -10.142 16.267 1.00 52.04 H new ATOM 0 HB3 ALA A 100 9.641 -11.166 15.194 1.00 52.04 H new ATOM 1547 N PRO A 101 9.952 -8.651 12.221 1.00 21.53 N ATOM 1548 CA PRO A 101 9.631 -8.777 10.770 1.00 13.31 C ATOM 1549 C PRO A 101 9.516 -10.257 10.293 1.00 50.13 C ATOM 1550 O PRO A 101 10.473 -11.040 10.410 1.00 63.15 O ATOM 1551 CB PRO A 101 10.798 -8.022 10.062 1.00 53.13 C ATOM 1552 CG PRO A 101 11.874 -7.887 11.103 1.00 62.33 C ATOM 1553 CD PRO A 101 11.155 -7.802 12.433 1.00 24.14 C ATOM 0 HA PRO A 101 8.652 -8.358 10.536 1.00 13.31 H new ATOM 0 HB2 PRO A 101 11.157 -8.577 9.195 1.00 53.13 H new ATOM 0 HB3 PRO A 101 10.474 -7.045 9.703 1.00 53.13 H new ATOM 0 HG2 PRO A 101 12.551 -8.741 11.079 1.00 62.33 H new ATOM 0 HG3 PRO A 101 12.478 -6.997 10.928 1.00 62.33 H new ATOM 0 HD2 PRO A 101 11.773 -8.175 13.250 1.00 24.14 H new ATOM 0 HD3 PRO A 101 10.885 -6.775 12.681 1.00 24.14 H new ATOM 1561 N VAL A 102 8.320 -10.617 9.781 1.00 74.44 N ATOM 1562 CA VAL A 102 7.991 -11.980 9.317 1.00 31.33 C ATOM 1563 C VAL A 102 8.892 -12.399 8.124 1.00 71.43 C ATOM 1564 O VAL A 102 8.710 -11.940 6.990 1.00 53.25 O ATOM 1565 CB VAL A 102 6.467 -12.100 8.926 1.00 13.00 C ATOM 1566 CG1 VAL A 102 6.100 -13.534 8.462 1.00 20.21 C ATOM 1567 CG2 VAL A 102 5.558 -11.662 10.093 1.00 23.43 C ATOM 0 H VAL A 102 7.546 -9.960 9.677 1.00 74.44 H new ATOM 0 HA VAL A 102 8.183 -12.661 10.146 1.00 31.33 H new ATOM 0 HB VAL A 102 6.300 -11.427 8.085 1.00 13.00 H new ATOM 0 HG11 VAL A 102 5.042 -13.573 8.202 1.00 20.21 H new ATOM 0 HG12 VAL A 102 6.698 -13.798 7.590 1.00 20.21 H new ATOM 0 HG13 VAL A 102 6.302 -14.240 9.268 1.00 20.21 H new ATOM 0 HG21 VAL A 102 4.514 -11.755 9.795 1.00 23.43 H new ATOM 0 HG22 VAL A 102 5.746 -12.297 10.959 1.00 23.43 H new ATOM 0 HG23 VAL A 102 5.771 -10.624 10.350 1.00 23.43 H new ATOM 1577 N ASP A 103 9.865 -13.275 8.418 1.00 24.03 N ATOM 1578 CA ASP A 103 10.872 -13.747 7.445 1.00 21.22 C ATOM 1579 C ASP A 103 10.227 -14.663 6.365 1.00 75.35 C ATOM 1580 O ASP A 103 10.734 -14.786 5.241 1.00 0.14 O ATOM 1581 CB ASP A 103 11.991 -14.487 8.217 1.00 21.22 C ATOM 1582 CG ASP A 103 13.227 -14.800 7.355 1.00 60.40 C ATOM 1583 OD1 ASP A 103 14.057 -13.893 7.150 1.00 30.51 O ATOM 1584 OD2 ASP A 103 13.371 -15.947 6.886 1.00 43.44 O ATOM 0 H ASP A 103 9.979 -13.682 9.346 1.00 24.03 H new ATOM 0 HA ASP A 103 11.298 -12.894 6.916 1.00 21.22 H new ATOM 0 HB2 ASP A 103 12.296 -13.880 9.069 1.00 21.22 H new ATOM 0 HB3 ASP A 103 11.591 -15.419 8.617 1.00 21.22 H new ATOM 1589 N GLU A 104 9.104 -15.294 6.748 1.00 4.43 N ATOM 1590 CA GLU A 104 8.249 -16.094 5.847 1.00 25.44 C ATOM 1591 C GLU A 104 7.652 -15.234 4.693 1.00 30.23 C ATOM 1592 O GLU A 104 7.505 -15.707 3.561 1.00 15.23 O ATOM 1593 CB GLU A 104 7.119 -16.740 6.694 1.00 12.12 C ATOM 1594 CG GLU A 104 6.154 -17.642 5.918 1.00 72.14 C ATOM 1595 CD GLU A 104 5.052 -18.253 6.803 1.00 64.24 C ATOM 1596 OE1 GLU A 104 4.066 -17.546 7.111 1.00 54.02 O ATOM 1597 OE2 GLU A 104 5.167 -19.436 7.192 1.00 11.13 O ATOM 0 H GLU A 104 8.757 -15.264 7.707 1.00 4.43 H new ATOM 0 HA GLU A 104 8.856 -16.866 5.374 1.00 25.44 H new ATOM 0 HB2 GLU A 104 7.575 -17.325 7.492 1.00 12.12 H new ATOM 0 HB3 GLU A 104 6.544 -15.945 7.170 1.00 12.12 H new ATOM 0 HG2 GLU A 104 5.690 -17.064 5.118 1.00 72.14 H new ATOM 0 HG3 GLU A 104 6.719 -18.445 5.445 1.00 72.14 H new ATOM 1604 N LEU A 105 7.321 -13.964 4.997 1.00 15.40 N ATOM 1605 CA LEU A 105 6.735 -13.013 4.013 1.00 43.52 C ATOM 1606 C LEU A 105 7.808 -12.122 3.348 1.00 62.42 C ATOM 1607 O LEU A 105 7.516 -11.440 2.360 1.00 5.52 O ATOM 1608 CB LEU A 105 5.651 -12.144 4.706 1.00 54.33 C ATOM 1609 CG LEU A 105 4.441 -12.939 5.299 1.00 13.20 C ATOM 1610 CD1 LEU A 105 3.412 -12.011 5.972 1.00 30.31 C ATOM 1611 CD2 LEU A 105 3.780 -13.816 4.226 1.00 30.54 C ATOM 0 H LEU A 105 7.449 -13.563 5.926 1.00 15.40 H new ATOM 0 HA LEU A 105 6.276 -13.599 3.216 1.00 43.52 H new ATOM 0 HB2 LEU A 105 6.121 -11.577 5.509 1.00 54.33 H new ATOM 0 HB3 LEU A 105 5.272 -11.421 3.984 1.00 54.33 H new ATOM 0 HG LEU A 105 4.835 -13.593 6.077 1.00 13.20 H new ATOM 0 HD11 LEU A 105 2.590 -12.607 6.369 1.00 30.31 H new ATOM 0 HD12 LEU A 105 3.891 -11.466 6.785 1.00 30.31 H new ATOM 0 HD13 LEU A 105 3.026 -11.303 5.239 1.00 30.31 H new ATOM 0 HD21 LEU A 105 2.942 -14.358 4.664 1.00 30.54 H new ATOM 0 HD22 LEU A 105 3.419 -13.186 3.413 1.00 30.54 H new ATOM 0 HD23 LEU A 105 4.509 -14.528 3.838 1.00 30.54 H new ATOM 1623 N GLY A 106 9.034 -12.118 3.915 1.00 42.42 N ATOM 1624 CA GLY A 106 10.167 -11.373 3.339 1.00 4.54 C ATOM 1625 C GLY A 106 10.020 -9.850 3.469 1.00 73.10 C ATOM 1626 O GLY A 106 9.492 -9.360 4.468 1.00 11.52 O ATOM 0 H GLY A 106 9.261 -12.624 4.771 1.00 42.42 H new ATOM 0 HA2 GLY A 106 11.087 -11.686 3.832 1.00 4.54 H new ATOM 0 HA3 GLY A 106 10.266 -11.633 2.285 1.00 4.54 H new ATOM 1630 N VAL A 107 10.524 -9.103 2.463 1.00 74.31 N ATOM 1631 CA VAL A 107 10.395 -7.621 2.372 1.00 13.12 C ATOM 1632 C VAL A 107 9.999 -7.224 0.928 1.00 11.23 C ATOM 1633 O VAL A 107 10.700 -7.569 -0.026 1.00 45.31 O ATOM 1634 CB VAL A 107 11.743 -6.874 2.755 1.00 15.11 C ATOM 1635 CG1 VAL A 107 11.582 -5.332 2.657 1.00 3.23 C ATOM 1636 CG2 VAL A 107 12.249 -7.287 4.163 1.00 45.33 C ATOM 0 H VAL A 107 11.038 -9.510 1.681 1.00 74.31 H new ATOM 0 HA VAL A 107 9.627 -7.319 3.084 1.00 13.12 H new ATOM 0 HB VAL A 107 12.496 -7.182 2.030 1.00 15.11 H new ATOM 0 HG11 VAL A 107 12.522 -4.850 2.925 1.00 3.23 H new ATOM 0 HG12 VAL A 107 11.312 -5.058 1.637 1.00 3.23 H new ATOM 0 HG13 VAL A 107 10.798 -5.004 3.340 1.00 3.23 H new ATOM 0 HG21 VAL A 107 13.173 -6.755 4.388 1.00 45.33 H new ATOM 0 HG22 VAL A 107 11.495 -7.036 4.909 1.00 45.33 H new ATOM 0 HG23 VAL A 107 12.435 -8.361 4.182 1.00 45.33 H new ATOM 1646 N THR A 108 8.855 -6.540 0.759 1.00 54.11 N ATOM 1647 CA THR A 108 8.439 -5.972 -0.550 1.00 53.40 C ATOM 1648 C THR A 108 8.557 -4.435 -0.539 1.00 3.12 C ATOM 1649 O THR A 108 8.273 -3.789 0.471 1.00 60.42 O ATOM 1650 CB THR A 108 6.983 -6.393 -0.967 1.00 5.13 C ATOM 1651 OG1 THR A 108 6.672 -5.863 -2.273 1.00 24.45 O ATOM 1652 CG2 THR A 108 5.899 -5.944 0.037 1.00 54.25 C ATOM 0 H THR A 108 8.193 -6.362 1.514 1.00 54.11 H new ATOM 0 HA THR A 108 9.120 -6.387 -1.294 1.00 53.40 H new ATOM 0 HB THR A 108 6.973 -7.483 -0.979 1.00 5.13 H new ATOM 0 HG1 THR A 108 6.180 -6.535 -2.790 1.00 24.45 H new ATOM 0 HG21 THR A 108 4.920 -6.269 -0.315 1.00 54.25 H new ATOM 0 HG22 THR A 108 6.100 -6.388 1.012 1.00 54.25 H new ATOM 0 HG23 THR A 108 5.911 -4.858 0.124 1.00 54.25 H new ATOM 1660 N HIS A 109 9.004 -3.860 -1.663 1.00 74.43 N ATOM 1661 CA HIS A 109 9.129 -2.404 -1.828 1.00 13.53 C ATOM 1662 C HIS A 109 7.958 -1.867 -2.675 1.00 13.04 C ATOM 1663 O HIS A 109 7.857 -2.178 -3.859 1.00 4.30 O ATOM 1664 CB HIS A 109 10.487 -2.058 -2.488 1.00 44.01 C ATOM 1665 CG HIS A 109 10.786 -0.586 -2.511 1.00 44.22 C ATOM 1666 ND1 HIS A 109 11.014 0.129 -1.366 1.00 24.14 N ATOM 1667 CD2 HIS A 109 10.863 0.319 -3.524 1.00 21.35 C ATOM 1668 CE1 HIS A 109 11.205 1.383 -1.662 1.00 71.32 C ATOM 1669 NE2 HIS A 109 11.125 1.532 -2.954 1.00 1.44 N ATOM 0 H HIS A 109 9.290 -4.391 -2.485 1.00 74.43 H new ATOM 0 HA HIS A 109 9.092 -1.929 -0.848 1.00 13.53 H new ATOM 0 HB2 HIS A 109 11.284 -2.574 -1.952 1.00 44.01 H new ATOM 0 HB3 HIS A 109 10.492 -2.437 -3.510 1.00 44.01 H new ATOM 0 HD2 HIS A 109 10.740 0.117 -4.578 1.00 21.35 H new ATOM 0 HE1 HIS A 109 11.399 2.172 -0.951 1.00 71.32 H new ATOM 0 HE2 HIS A 109 11.239 2.412 -3.458 1.00 1.44 H new ATOM 1678 N ALA A 110 7.088 -1.056 -2.059 1.00 63.42 N ATOM 1679 CA ALA A 110 5.898 -0.485 -2.724 1.00 42.42 C ATOM 1680 C ALA A 110 6.168 0.969 -3.187 1.00 71.04 C ATOM 1681 O ALA A 110 6.526 1.830 -2.374 1.00 4.32 O ATOM 1682 CB ALA A 110 4.691 -0.551 -1.782 1.00 62.04 C ATOM 0 H ALA A 110 7.185 -0.774 -1.084 1.00 63.42 H new ATOM 0 HA ALA A 110 5.675 -1.076 -3.613 1.00 42.42 H new ATOM 0 HB1 ALA A 110 3.818 -0.128 -2.279 1.00 62.04 H new ATOM 0 HB2 ALA A 110 4.491 -1.590 -1.519 1.00 62.04 H new ATOM 0 HB3 ALA A 110 4.904 0.018 -0.877 1.00 62.04 H new ATOM 1688 N THR A 111 5.988 1.232 -4.499 1.00 43.33 N ATOM 1689 CA THR A 111 6.194 2.574 -5.099 1.00 42.00 C ATOM 1690 C THR A 111 4.826 3.168 -5.477 1.00 44.04 C ATOM 1691 O THR A 111 4.202 2.727 -6.438 1.00 33.32 O ATOM 1692 CB THR A 111 7.113 2.518 -6.383 1.00 55.24 C ATOM 1693 OG1 THR A 111 8.312 1.775 -6.097 1.00 74.34 O ATOM 1694 CG2 THR A 111 7.512 3.923 -6.872 1.00 23.15 C ATOM 0 H THR A 111 5.697 0.524 -5.173 1.00 43.33 H new ATOM 0 HA THR A 111 6.698 3.198 -4.361 1.00 42.00 H new ATOM 0 HB THR A 111 6.535 2.030 -7.168 1.00 55.24 H new ATOM 0 HG1 THR A 111 8.876 1.743 -6.898 1.00 74.34 H new ATOM 0 HG21 THR A 111 8.143 3.835 -7.756 1.00 23.15 H new ATOM 0 HG22 THR A 111 6.615 4.490 -7.122 1.00 23.15 H new ATOM 0 HG23 THR A 111 8.061 4.440 -6.085 1.00 23.15 H new ATOM 1702 N VAL A 112 4.367 4.163 -4.717 1.00 53.25 N ATOM 1703 CA VAL A 112 3.069 4.833 -4.938 1.00 73.40 C ATOM 1704 C VAL A 112 3.265 6.090 -5.810 1.00 14.02 C ATOM 1705 O VAL A 112 3.924 7.041 -5.397 1.00 2.50 O ATOM 1706 CB VAL A 112 2.412 5.232 -3.572 1.00 41.52 C ATOM 1707 CG1 VAL A 112 1.052 5.941 -3.792 1.00 24.04 C ATOM 1708 CG2 VAL A 112 2.278 3.997 -2.641 1.00 32.32 C ATOM 0 H VAL A 112 4.885 4.536 -3.921 1.00 53.25 H new ATOM 0 HA VAL A 112 2.406 4.137 -5.453 1.00 73.40 H new ATOM 0 HB VAL A 112 3.068 5.946 -3.074 1.00 41.52 H new ATOM 0 HG11 VAL A 112 0.620 6.206 -2.827 1.00 24.04 H new ATOM 0 HG12 VAL A 112 1.204 6.845 -4.382 1.00 24.04 H new ATOM 0 HG13 VAL A 112 0.374 5.272 -4.322 1.00 24.04 H new ATOM 0 HG21 VAL A 112 1.820 4.299 -1.699 1.00 32.32 H new ATOM 0 HG22 VAL A 112 1.655 3.244 -3.123 1.00 32.32 H new ATOM 0 HG23 VAL A 112 3.266 3.579 -2.446 1.00 32.32 H new ATOM 1718 N LYS A 113 2.700 6.080 -7.020 1.00 43.20 N ATOM 1719 CA LYS A 113 2.900 7.152 -8.020 1.00 73.21 C ATOM 1720 C LYS A 113 1.557 7.750 -8.483 1.00 74.41 C ATOM 1721 O LYS A 113 0.739 7.059 -9.092 1.00 34.20 O ATOM 1722 CB LYS A 113 3.685 6.555 -9.211 1.00 53.11 C ATOM 1723 CG LYS A 113 5.135 6.137 -8.855 1.00 4.23 C ATOM 1724 CD LYS A 113 5.726 5.125 -9.850 1.00 31.44 C ATOM 1725 CE LYS A 113 5.713 5.628 -11.296 1.00 74.31 C ATOM 1726 NZ LYS A 113 6.209 4.603 -12.244 1.00 22.01 N ATOM 0 H LYS A 113 2.088 5.330 -7.342 1.00 43.20 H new ATOM 0 HA LYS A 113 3.465 7.970 -7.573 1.00 73.21 H new ATOM 0 HB2 LYS A 113 3.148 5.685 -9.589 1.00 53.11 H new ATOM 0 HB3 LYS A 113 3.715 7.287 -10.018 1.00 53.11 H new ATOM 0 HG2 LYS A 113 5.767 7.024 -8.828 1.00 4.23 H new ATOM 0 HG3 LYS A 113 5.148 5.705 -7.854 1.00 4.23 H new ATOM 0 HD2 LYS A 113 6.752 4.896 -9.560 1.00 31.44 H new ATOM 0 HD3 LYS A 113 5.162 4.194 -9.790 1.00 31.44 H new ATOM 0 HE2 LYS A 113 4.698 5.915 -11.571 1.00 74.31 H new ATOM 0 HE3 LYS A 113 6.330 6.523 -11.374 1.00 74.31 H new ATOM 0 HZ1 LYS A 113 6.184 4.984 -13.211 1.00 22.01 H new ATOM 0 HZ2 LYS A 113 7.186 4.347 -11.998 1.00 22.01 H new ATOM 0 HZ3 LYS A 113 5.605 3.758 -12.189 1.00 22.01 H new ATOM 1740 N LEU A 114 1.340 9.035 -8.165 1.00 73.51 N ATOM 1741 CA LEU A 114 0.152 9.793 -8.601 1.00 34.21 C ATOM 1742 C LEU A 114 0.429 10.549 -9.918 1.00 65.23 C ATOM 1743 O LEU A 114 1.559 10.969 -10.177 1.00 41.34 O ATOM 1744 CB LEU A 114 -0.275 10.786 -7.497 1.00 72.33 C ATOM 1745 CG LEU A 114 -0.666 10.147 -6.133 1.00 24.42 C ATOM 1746 CD1 LEU A 114 -0.905 11.215 -5.058 1.00 65.51 C ATOM 1747 CD2 LEU A 114 -1.899 9.248 -6.287 1.00 63.25 C ATOM 0 H LEU A 114 1.985 9.582 -7.596 1.00 73.51 H new ATOM 0 HA LEU A 114 -0.658 9.086 -8.780 1.00 34.21 H new ATOM 0 HB2 LEU A 114 0.542 11.488 -7.328 1.00 72.33 H new ATOM 0 HB3 LEU A 114 -1.123 11.366 -7.863 1.00 72.33 H new ATOM 0 HG LEU A 114 0.172 9.531 -5.806 1.00 24.42 H new ATOM 0 HD11 LEU A 114 -1.176 10.732 -4.119 1.00 65.51 H new ATOM 0 HD12 LEU A 114 0.005 11.799 -4.916 1.00 65.51 H new ATOM 0 HD13 LEU A 114 -1.714 11.874 -5.374 1.00 65.51 H new ATOM 0 HD21 LEU A 114 -2.154 8.812 -5.321 1.00 63.25 H new ATOM 0 HD22 LEU A 114 -2.738 9.841 -6.651 1.00 63.25 H new ATOM 0 HD23 LEU A 114 -1.682 8.451 -6.999 1.00 63.25 H new ATOM 1759 N GLU A 115 -0.612 10.701 -10.751 1.00 3.12 N ATOM 1760 CA GLU A 115 -0.538 11.436 -12.034 1.00 11.11 C ATOM 1761 C GLU A 115 -1.654 12.506 -12.118 1.00 31.33 C ATOM 1762 O GLU A 115 -2.831 12.159 -11.995 1.00 20.12 O ATOM 1763 CB GLU A 115 -0.663 10.454 -13.226 1.00 14.15 C ATOM 1764 CG GLU A 115 0.516 9.471 -13.358 1.00 13.35 C ATOM 1765 CD GLU A 115 0.420 8.579 -14.607 1.00 64.25 C ATOM 1766 OE1 GLU A 115 0.607 9.103 -15.730 1.00 32.02 O ATOM 1767 OE2 GLU A 115 0.145 7.367 -14.476 1.00 61.14 O ATOM 0 H GLU A 115 -1.537 10.317 -10.557 1.00 3.12 H new ATOM 0 HA GLU A 115 0.430 11.935 -12.083 1.00 11.11 H new ATOM 0 HB2 GLU A 115 -1.586 9.885 -13.118 1.00 14.15 H new ATOM 0 HB3 GLU A 115 -0.748 11.028 -14.149 1.00 14.15 H new ATOM 0 HG2 GLU A 115 1.449 10.034 -13.392 1.00 13.35 H new ATOM 0 HG3 GLU A 115 0.556 8.840 -12.470 1.00 13.35 H new ATOM 1774 N PRO A 116 -1.304 13.820 -12.327 1.00 14.32 N ATOM 1775 CA PRO A 116 -2.309 14.908 -12.448 1.00 50.44 C ATOM 1776 C PRO A 116 -3.142 14.815 -13.755 1.00 52.43 C ATOM 1777 O PRO A 116 -2.681 15.197 -14.837 1.00 32.31 O ATOM 1778 CB PRO A 116 -1.448 16.204 -12.389 1.00 31.21 C ATOM 1779 CG PRO A 116 -0.087 15.785 -12.873 1.00 5.21 C ATOM 1780 CD PRO A 116 0.090 14.339 -12.448 1.00 11.32 C ATOM 0 HA PRO A 116 -3.063 14.864 -11.662 1.00 50.44 H new ATOM 0 HB2 PRO A 116 -1.868 16.987 -13.020 1.00 31.21 H new ATOM 0 HB3 PRO A 116 -1.402 16.602 -11.375 1.00 31.21 H new ATOM 0 HG2 PRO A 116 -0.012 15.884 -13.956 1.00 5.21 H new ATOM 0 HG3 PRO A 116 0.690 16.415 -12.441 1.00 5.21 H new ATOM 0 HD2 PRO A 116 0.663 13.775 -13.184 1.00 11.32 H new ATOM 0 HD3 PRO A 116 0.626 14.265 -11.502 1.00 11.32 H new ATOM 1788 N LEU A 117 -4.367 14.271 -13.640 1.00 61.51 N ATOM 1789 CA LEU A 117 -5.327 14.178 -14.776 1.00 3.42 C ATOM 1790 C LEU A 117 -6.305 15.384 -14.742 1.00 34.52 C ATOM 1791 O LEU A 117 -7.527 15.218 -14.867 1.00 70.33 O ATOM 1792 CB LEU A 117 -6.108 12.831 -14.707 1.00 5.14 C ATOM 1793 CG LEU A 117 -5.262 11.532 -14.513 1.00 64.51 C ATOM 1794 CD1 LEU A 117 -6.178 10.290 -14.453 1.00 32.13 C ATOM 1795 CD2 LEU A 117 -4.172 11.384 -15.599 1.00 34.22 C ATOM 0 H LEU A 117 -4.726 13.884 -12.767 1.00 61.51 H new ATOM 0 HA LEU A 117 -4.775 14.207 -15.716 1.00 3.42 H new ATOM 0 HB2 LEU A 117 -6.823 12.895 -13.887 1.00 5.14 H new ATOM 0 HB3 LEU A 117 -6.685 12.726 -15.626 1.00 5.14 H new ATOM 0 HG LEU A 117 -4.742 11.615 -13.559 1.00 64.51 H new ATOM 0 HD11 LEU A 117 -5.570 9.396 -14.318 1.00 32.13 H new ATOM 0 HD12 LEU A 117 -6.870 10.388 -13.617 1.00 32.13 H new ATOM 0 HD13 LEU A 117 -6.742 10.208 -15.382 1.00 32.13 H new ATOM 0 HD21 LEU A 117 -3.608 10.468 -15.426 1.00 34.22 H new ATOM 0 HD22 LEU A 117 -4.641 11.341 -16.582 1.00 34.22 H new ATOM 0 HD23 LEU A 117 -3.497 12.239 -15.556 1.00 34.22 H new ATOM 1807 N GLU A 118 -5.729 16.597 -14.596 1.00 40.32 N ATOM 1808 CA GLU A 118 -6.472 17.876 -14.422 1.00 72.31 C ATOM 1809 C GLU A 118 -7.387 17.856 -13.166 1.00 61.23 C ATOM 1810 O GLU A 118 -6.965 18.247 -12.070 1.00 44.41 O ATOM 1811 CB GLU A 118 -7.274 18.274 -15.706 1.00 70.22 C ATOM 1812 CG GLU A 118 -6.423 18.663 -16.933 1.00 54.04 C ATOM 1813 CD GLU A 118 -5.661 17.489 -17.578 1.00 22.13 C ATOM 1814 OE1 GLU A 118 -6.296 16.677 -18.280 1.00 22.10 O ATOM 1815 OE2 GLU A 118 -4.429 17.369 -17.386 1.00 75.21 O ATOM 0 H GLU A 118 -4.717 16.723 -14.595 1.00 40.32 H new ATOM 0 HA GLU A 118 -5.719 18.648 -14.261 1.00 72.31 H new ATOM 0 HB2 GLU A 118 -7.918 17.439 -15.983 1.00 70.22 H new ATOM 0 HB3 GLU A 118 -7.927 19.111 -15.459 1.00 70.22 H new ATOM 0 HG2 GLU A 118 -7.073 19.114 -17.683 1.00 54.04 H new ATOM 0 HG3 GLU A 118 -5.704 19.426 -16.634 1.00 54.04 H new ATOM 1822 N ASN A 119 -8.633 17.370 -13.333 1.00 52.30 N ATOM 1823 CA ASN A 119 -9.634 17.299 -12.244 1.00 64.34 C ATOM 1824 C ASN A 119 -9.486 15.958 -11.471 1.00 10.31 C ATOM 1825 O ASN A 119 -9.726 15.896 -10.265 1.00 53.54 O ATOM 1826 CB ASN A 119 -11.057 17.451 -12.856 1.00 35.21 C ATOM 1827 CG ASN A 119 -12.168 17.770 -11.840 1.00 25.32 C ATOM 1828 OD1 ASN A 119 -12.109 17.399 -10.673 1.00 34.25 O ATOM 1829 ND2 ASN A 119 -13.203 18.454 -12.285 1.00 13.11 N ATOM 0 H ASN A 119 -8.976 17.015 -14.226 1.00 52.30 H new ATOM 0 HA ASN A 119 -9.473 18.108 -11.531 1.00 64.34 H new ATOM 0 HB2 ASN A 119 -11.032 18.242 -13.605 1.00 35.21 H new ATOM 0 HB3 ASN A 119 -11.314 16.528 -13.376 1.00 35.21 H new ATOM 0 HD21 ASN A 119 -13.972 18.683 -11.655 1.00 13.11 H new ATOM 0 HD22 ASN A 119 -13.235 18.754 -13.259 1.00 13.11 H new ATOM 1836 N ARG A 120 -9.087 14.890 -12.194 1.00 4.42 N ATOM 1837 CA ARG A 120 -8.844 13.550 -11.599 1.00 4.24 C ATOM 1838 C ARG A 120 -7.339 13.333 -11.302 1.00 64.21 C ATOM 1839 O ARG A 120 -6.502 14.192 -11.596 1.00 53.14 O ATOM 1840 CB ARG A 120 -9.352 12.435 -12.549 1.00 2.23 C ATOM 1841 CG ARG A 120 -10.861 12.489 -12.864 1.00 11.14 C ATOM 1842 CD ARG A 120 -11.309 11.312 -13.750 1.00 14.22 C ATOM 1843 NE ARG A 120 -10.584 11.272 -15.038 1.00 61.51 N ATOM 1844 CZ ARG A 120 -9.958 10.227 -15.548 1.00 14.51 C ATOM 1845 NH1 ARG A 120 -9.947 9.076 -14.946 1.00 11.03 N ATOM 1846 NH2 ARG A 120 -9.346 10.342 -16.676 1.00 64.25 N ATOM 0 H ARG A 120 -8.924 14.927 -13.200 1.00 4.42 H new ATOM 0 HA ARG A 120 -9.394 13.501 -10.659 1.00 4.24 H new ATOM 0 HB2 ARG A 120 -8.798 12.495 -13.486 1.00 2.23 H new ATOM 0 HB3 ARG A 120 -9.123 11.467 -12.104 1.00 2.23 H new ATOM 0 HG2 ARG A 120 -11.426 12.477 -11.932 1.00 11.14 H new ATOM 0 HG3 ARG A 120 -11.093 13.429 -13.365 1.00 11.14 H new ATOM 0 HD2 ARG A 120 -11.148 10.376 -13.216 1.00 14.22 H new ATOM 0 HD3 ARG A 120 -12.379 11.390 -13.940 1.00 14.22 H new ATOM 0 HE ARG A 120 -10.566 12.133 -15.584 1.00 61.51 H new ATOM 0 HH11 ARG A 120 -10.430 8.962 -14.055 1.00 11.03 H new ATOM 0 HH12 ARG A 120 -9.455 8.286 -15.364 1.00 11.03 H new ATOM 0 HH21 ARG A 120 -9.347 11.235 -17.168 1.00 64.25 H new ATOM 0 HH22 ARG A 120 -8.860 9.540 -17.077 1.00 64.25 H new ATOM 1860 N THR A 121 -7.014 12.177 -10.697 1.00 73.22 N ATOM 1861 CA THR A 121 -5.619 11.741 -10.447 1.00 2.03 C ATOM 1862 C THR A 121 -5.524 10.198 -10.483 1.00 12.23 C ATOM 1863 O THR A 121 -6.374 9.507 -9.922 1.00 32.43 O ATOM 1864 CB THR A 121 -5.079 12.293 -9.078 1.00 23.23 C ATOM 1865 OG1 THR A 121 -5.017 13.726 -9.126 1.00 45.43 O ATOM 1866 CG2 THR A 121 -3.683 11.752 -8.714 1.00 43.23 C ATOM 0 H THR A 121 -7.712 11.512 -10.364 1.00 73.22 H new ATOM 0 HA THR A 121 -4.994 12.152 -11.239 1.00 2.03 H new ATOM 0 HB THR A 121 -5.774 11.953 -8.311 1.00 23.23 H new ATOM 0 HG1 THR A 121 -5.893 14.099 -8.893 1.00 45.43 H new ATOM 0 HG21 THR A 121 -3.368 12.171 -7.758 1.00 43.23 H new ATOM 0 HG22 THR A 121 -3.722 10.665 -8.638 1.00 43.23 H new ATOM 0 HG23 THR A 121 -2.970 12.036 -9.488 1.00 43.23 H new ATOM 1874 N ARG A 122 -4.471 9.670 -11.133 1.00 23.30 N ATOM 1875 CA ARG A 122 -4.247 8.216 -11.282 1.00 21.32 C ATOM 1876 C ARG A 122 -3.125 7.744 -10.333 1.00 4.52 C ATOM 1877 O ARG A 122 -2.029 8.287 -10.372 1.00 52.15 O ATOM 1878 CB ARG A 122 -3.867 7.910 -12.755 1.00 61.35 C ATOM 1879 CG ARG A 122 -3.618 6.423 -13.063 1.00 45.20 C ATOM 1880 CD ARG A 122 -3.252 6.174 -14.537 1.00 43.41 C ATOM 1881 NE ARG A 122 -4.337 6.550 -15.468 1.00 54.23 N ATOM 1882 CZ ARG A 122 -4.328 6.347 -16.772 1.00 43.11 C ATOM 1883 NH1 ARG A 122 -3.325 5.765 -17.360 1.00 1.22 N ATOM 1884 NH2 ARG A 122 -5.335 6.738 -17.484 1.00 62.31 N ATOM 0 H ARG A 122 -3.748 10.240 -11.572 1.00 23.30 H new ATOM 0 HA ARG A 122 -5.160 7.681 -11.022 1.00 21.32 H new ATOM 0 HB2 ARG A 122 -4.665 8.272 -13.404 1.00 61.35 H new ATOM 0 HB3 ARG A 122 -2.969 8.474 -13.008 1.00 61.35 H new ATOM 0 HG2 ARG A 122 -2.814 6.054 -12.426 1.00 45.20 H new ATOM 0 HG3 ARG A 122 -4.511 5.850 -12.813 1.00 45.20 H new ATOM 0 HD2 ARG A 122 -2.354 6.741 -14.784 1.00 43.41 H new ATOM 0 HD3 ARG A 122 -3.011 5.120 -14.674 1.00 43.41 H new ATOM 0 HE ARG A 122 -5.160 7.003 -15.070 1.00 54.23 H new ATOM 0 HH11 ARG A 122 -2.523 5.455 -16.812 1.00 1.22 H new ATOM 0 HH12 ARG A 122 -3.340 5.619 -18.369 1.00 1.22 H new ATOM 0 HH21 ARG A 122 -6.127 7.199 -17.037 1.00 62.31 H new ATOM 0 HH22 ARG A 122 -5.336 6.585 -18.492 1.00 62.31 H new ATOM 1898 N MET A 123 -3.402 6.730 -9.497 1.00 51.53 N ATOM 1899 CA MET A 123 -2.401 6.128 -8.583 1.00 65.24 C ATOM 1900 C MET A 123 -1.969 4.737 -9.085 1.00 13.42 C ATOM 1901 O MET A 123 -2.804 3.949 -9.504 1.00 23.42 O ATOM 1902 CB MET A 123 -2.981 5.990 -7.154 1.00 31.01 C ATOM 1903 CG MET A 123 -1.950 5.550 -6.095 1.00 33.02 C ATOM 1904 SD MET A 123 -2.673 5.304 -4.466 1.00 40.03 S ATOM 1905 CE MET A 123 -3.779 3.937 -4.794 1.00 41.55 C ATOM 0 H MET A 123 -4.325 6.300 -9.431 1.00 51.53 H new ATOM 0 HA MET A 123 -1.534 6.789 -8.561 1.00 65.24 H new ATOM 0 HB2 MET A 123 -3.409 6.946 -6.853 1.00 31.01 H new ATOM 0 HB3 MET A 123 -3.797 5.268 -7.173 1.00 31.01 H new ATOM 0 HG2 MET A 123 -1.477 4.623 -6.420 1.00 33.02 H new ATOM 0 HG3 MET A 123 -1.164 6.302 -6.027 1.00 33.02 H new ATOM 0 HE1 MET A 123 -3.860 3.313 -3.904 1.00 41.55 H new ATOM 0 HE2 MET A 123 -4.764 4.321 -5.059 1.00 41.55 H new ATOM 0 HE3 MET A 123 -3.387 3.342 -5.619 1.00 41.55 H new ATOM 1915 N THR A 124 -0.666 4.436 -9.019 1.00 13.01 N ATOM 1916 CA THR A 124 -0.135 3.083 -9.299 1.00 70.43 C ATOM 1917 C THR A 124 0.855 2.667 -8.197 1.00 60.13 C ATOM 1918 O THR A 124 1.858 3.350 -7.976 1.00 52.24 O ATOM 1919 CB THR A 124 0.558 3.004 -10.700 1.00 1.33 C ATOM 1920 OG1 THR A 124 -0.374 3.379 -11.732 1.00 41.53 O ATOM 1921 CG2 THR A 124 1.095 1.591 -11.011 1.00 4.42 C ATOM 0 H THR A 124 0.053 5.116 -8.772 1.00 13.01 H new ATOM 0 HA THR A 124 -0.980 2.394 -9.311 1.00 70.43 H new ATOM 0 HB THR A 124 1.403 3.692 -10.674 1.00 1.33 H new ATOM 0 HG1 THR A 124 0.067 3.329 -12.605 1.00 41.53 H new ATOM 0 HG21 THR A 124 1.566 1.589 -11.994 1.00 4.42 H new ATOM 0 HG22 THR A 124 1.828 1.306 -10.256 1.00 4.42 H new ATOM 0 HG23 THR A 124 0.270 0.878 -11.003 1.00 4.42 H new ATOM 1929 N ILE A 125 0.548 1.562 -7.487 1.00 73.43 N ATOM 1930 CA ILE A 125 1.416 1.013 -6.418 1.00 41.42 C ATOM 1931 C ILE A 125 2.198 -0.214 -6.944 1.00 73.30 C ATOM 1932 O ILE A 125 1.595 -1.249 -7.230 1.00 71.31 O ATOM 1933 CB ILE A 125 0.573 0.589 -5.157 1.00 5.51 C ATOM 1934 CG1 ILE A 125 -0.372 1.748 -4.702 1.00 24.23 C ATOM 1935 CG2 ILE A 125 1.503 0.135 -3.996 1.00 52.24 C ATOM 1936 CD1 ILE A 125 -1.313 1.388 -3.561 1.00 44.41 C ATOM 0 H ILE A 125 -0.306 1.024 -7.636 1.00 73.43 H new ATOM 0 HA ILE A 125 2.113 1.797 -6.123 1.00 41.42 H new ATOM 0 HB ILE A 125 -0.051 -0.260 -5.437 1.00 5.51 H new ATOM 0 HG12 ILE A 125 0.238 2.598 -4.398 1.00 24.23 H new ATOM 0 HG13 ILE A 125 -0.966 2.072 -5.557 1.00 24.23 H new ATOM 0 HG21 ILE A 125 0.898 -0.153 -3.136 1.00 52.24 H new ATOM 0 HG22 ILE A 125 2.101 -0.717 -4.321 1.00 52.24 H new ATOM 0 HG23 ILE A 125 2.163 0.956 -3.716 1.00 52.24 H new ATOM 0 HD11 ILE A 125 -1.930 2.251 -3.312 1.00 44.41 H new ATOM 0 HD12 ILE A 125 -1.953 0.560 -3.865 1.00 44.41 H new ATOM 0 HD13 ILE A 125 -0.730 1.095 -2.688 1.00 44.41 H new ATOM 1948 N ILE A 126 3.531 -0.088 -7.065 1.00 4.24 N ATOM 1949 CA ILE A 126 4.409 -1.151 -7.604 1.00 61.21 C ATOM 1950 C ILE A 126 5.129 -1.890 -6.448 1.00 24.21 C ATOM 1951 O ILE A 126 6.032 -1.339 -5.825 1.00 61.22 O ATOM 1952 CB ILE A 126 5.486 -0.573 -8.619 1.00 71.23 C ATOM 1953 CG1 ILE A 126 4.816 0.215 -9.808 1.00 11.32 C ATOM 1954 CG2 ILE A 126 6.407 -1.699 -9.155 1.00 60.52 C ATOM 1955 CD1 ILE A 126 4.436 1.651 -9.511 1.00 32.50 C ATOM 0 H ILE A 126 4.035 0.756 -6.792 1.00 4.24 H new ATOM 0 HA ILE A 126 3.774 -1.850 -8.149 1.00 61.21 H new ATOM 0 HB ILE A 126 6.099 0.137 -8.064 1.00 71.23 H new ATOM 0 HG12 ILE A 126 5.500 0.207 -10.656 1.00 11.32 H new ATOM 0 HG13 ILE A 126 3.919 -0.323 -10.117 1.00 11.32 H new ATOM 0 HG21 ILE A 126 7.134 -1.275 -9.847 1.00 60.52 H new ATOM 0 HG22 ILE A 126 6.930 -2.169 -8.322 1.00 60.52 H new ATOM 0 HG23 ILE A 126 5.805 -2.446 -9.673 1.00 60.52 H new ATOM 0 HD11 ILE A 126 3.984 2.098 -10.396 1.00 32.50 H new ATOM 0 HD12 ILE A 126 3.722 1.676 -8.687 1.00 32.50 H new ATOM 0 HD13 ILE A 126 5.328 2.214 -9.235 1.00 32.50 H new ATOM 1967 N SER A 127 4.732 -3.140 -6.190 1.00 12.10 N ATOM 1968 CA SER A 127 5.252 -3.960 -5.071 1.00 22.44 C ATOM 1969 C SER A 127 6.284 -4.970 -5.609 1.00 75.12 C ATOM 1970 O SER A 127 5.924 -5.918 -6.309 1.00 74.53 O ATOM 1971 CB SER A 127 4.082 -4.692 -4.364 1.00 51.33 C ATOM 1972 OG SER A 127 3.141 -3.771 -3.828 1.00 22.45 O ATOM 0 H SER A 127 4.033 -3.624 -6.754 1.00 12.10 H new ATOM 0 HA SER A 127 5.742 -3.315 -4.342 1.00 22.44 H new ATOM 0 HB2 SER A 127 3.583 -5.353 -5.073 1.00 51.33 H new ATOM 0 HB3 SER A 127 4.474 -5.320 -3.564 1.00 51.33 H new ATOM 0 HG SER A 127 2.415 -4.263 -3.390 1.00 22.45 H new ATOM 1978 N THR A 128 7.574 -4.732 -5.316 1.00 1.30 N ATOM 1979 CA THR A 128 8.692 -5.575 -5.793 1.00 5.10 C ATOM 1980 C THR A 128 9.204 -6.506 -4.673 1.00 53.54 C ATOM 1981 O THR A 128 9.578 -6.058 -3.593 1.00 0.24 O ATOM 1982 CB THR A 128 9.867 -4.708 -6.351 1.00 22.22 C ATOM 1983 OG1 THR A 128 10.267 -3.738 -5.369 1.00 22.10 O ATOM 1984 CG2 THR A 128 9.475 -3.994 -7.664 1.00 4.45 C ATOM 0 H THR A 128 7.875 -3.947 -4.739 1.00 1.30 H new ATOM 0 HA THR A 128 8.306 -6.189 -6.607 1.00 5.10 H new ATOM 0 HB THR A 128 10.700 -5.376 -6.569 1.00 22.22 H new ATOM 0 HG1 THR A 128 9.647 -2.979 -5.387 1.00 22.10 H new ATOM 0 HG21 THR A 128 10.317 -3.401 -8.021 1.00 4.45 H new ATOM 0 HG22 THR A 128 9.209 -4.736 -8.416 1.00 4.45 H new ATOM 0 HG23 THR A 128 8.622 -3.340 -7.482 1.00 4.45 H new ATOM 1992 N PHE A 129 9.215 -7.810 -4.963 1.00 22.54 N ATOM 1993 CA PHE A 129 9.522 -8.880 -3.995 1.00 53.14 C ATOM 1994 C PHE A 129 10.984 -9.357 -4.153 1.00 51.14 C ATOM 1995 O PHE A 129 11.527 -9.331 -5.259 1.00 31.31 O ATOM 1996 CB PHE A 129 8.528 -10.051 -4.226 1.00 35.14 C ATOM 1997 CG PHE A 129 7.066 -9.587 -4.256 1.00 3.41 C ATOM 1998 CD1 PHE A 129 6.379 -9.318 -3.077 1.00 41.51 C ATOM 1999 CD2 PHE A 129 6.393 -9.378 -5.465 1.00 72.01 C ATOM 2000 CE1 PHE A 129 5.073 -8.860 -3.102 1.00 73.20 C ATOM 2001 CE2 PHE A 129 5.087 -8.929 -5.483 1.00 71.24 C ATOM 2002 CZ PHE A 129 4.427 -8.669 -4.303 1.00 0.32 C ATOM 0 H PHE A 129 9.007 -8.165 -5.896 1.00 22.54 H new ATOM 0 HA PHE A 129 9.413 -8.502 -2.978 1.00 53.14 H new ATOM 0 HB2 PHE A 129 8.768 -10.546 -5.167 1.00 35.14 H new ATOM 0 HB3 PHE A 129 8.654 -10.791 -3.436 1.00 35.14 H new ATOM 0 HD1 PHE A 129 6.872 -9.469 -2.128 1.00 41.51 H new ATOM 0 HD2 PHE A 129 6.902 -9.571 -6.398 1.00 72.01 H new ATOM 0 HE1 PHE A 129 4.558 -8.652 -2.176 1.00 73.20 H new ATOM 0 HE2 PHE A 129 4.582 -8.781 -6.426 1.00 71.24 H new ATOM 0 HZ PHE A 129 3.406 -8.317 -4.319 1.00 0.32 H new ATOM 2012 N GLU A 130 11.611 -9.794 -3.046 1.00 42.04 N ATOM 2013 CA GLU A 130 13.019 -10.275 -3.058 1.00 62.03 C ATOM 2014 C GLU A 130 13.159 -11.632 -3.790 1.00 14.31 C ATOM 2015 O GLU A 130 14.161 -11.881 -4.469 1.00 22.14 O ATOM 2016 CB GLU A 130 13.548 -10.408 -1.607 1.00 25.10 C ATOM 2017 CG GLU A 130 13.476 -9.111 -0.784 1.00 71.25 C ATOM 2018 CD GLU A 130 13.897 -9.307 0.683 1.00 55.35 C ATOM 2019 OE1 GLU A 130 13.135 -9.937 1.443 1.00 51.30 O ATOM 2020 OE2 GLU A 130 14.998 -8.862 1.076 1.00 63.32 O ATOM 0 H GLU A 130 11.170 -9.827 -2.127 1.00 42.04 H new ATOM 0 HA GLU A 130 13.612 -9.539 -3.601 1.00 62.03 H new ATOM 0 HB2 GLU A 130 12.977 -11.182 -1.094 1.00 25.10 H new ATOM 0 HB3 GLU A 130 14.584 -10.746 -1.640 1.00 25.10 H new ATOM 0 HG2 GLU A 130 14.118 -8.359 -1.243 1.00 71.25 H new ATOM 0 HG3 GLU A 130 12.458 -8.723 -0.816 1.00 71.25 H new ATOM 2027 N SER A 131 12.132 -12.492 -3.665 1.00 71.42 N ATOM 2028 CA SER A 131 12.167 -13.882 -4.182 1.00 5.01 C ATOM 2029 C SER A 131 10.843 -14.262 -4.890 1.00 14.00 C ATOM 2030 O SER A 131 9.792 -13.666 -4.629 1.00 21.20 O ATOM 2031 CB SER A 131 12.443 -14.860 -3.011 1.00 41.40 C ATOM 2032 OG SER A 131 13.681 -14.593 -2.369 1.00 65.35 O ATOM 0 H SER A 131 11.255 -12.249 -3.205 1.00 71.42 H new ATOM 0 HA SER A 131 12.966 -13.951 -4.920 1.00 5.01 H new ATOM 0 HB2 SER A 131 11.635 -14.789 -2.283 1.00 41.40 H new ATOM 0 HB3 SER A 131 12.444 -15.883 -3.387 1.00 41.40 H new ATOM 0 HG SER A 131 13.814 -15.231 -1.637 1.00 65.35 H new ATOM 2038 N GLU A 132 10.925 -15.252 -5.801 1.00 33.10 N ATOM 2039 CA GLU A 132 9.759 -15.839 -6.509 1.00 22.32 C ATOM 2040 C GLU A 132 8.855 -16.614 -5.522 1.00 20.51 C ATOM 2041 O GLU A 132 7.627 -16.561 -5.621 1.00 53.34 O ATOM 2042 CB GLU A 132 10.270 -16.733 -7.684 1.00 75.40 C ATOM 2043 CG GLU A 132 9.208 -17.171 -8.737 1.00 61.20 C ATOM 2044 CD GLU A 132 8.300 -18.348 -8.325 1.00 31.30 C ATOM 2045 OE1 GLU A 132 8.761 -19.261 -7.607 1.00 13.22 O ATOM 2046 OE2 GLU A 132 7.129 -18.371 -8.740 1.00 44.35 O ATOM 0 H GLU A 132 11.812 -15.675 -6.073 1.00 33.10 H new ATOM 0 HA GLU A 132 9.142 -15.047 -6.933 1.00 22.32 H new ATOM 0 HB2 GLU A 132 11.063 -16.194 -8.203 1.00 75.40 H new ATOM 0 HB3 GLU A 132 10.720 -17.630 -7.259 1.00 75.40 H new ATOM 0 HG2 GLU A 132 8.577 -16.313 -8.967 1.00 61.20 H new ATOM 0 HG3 GLU A 132 9.726 -17.441 -9.657 1.00 61.20 H new ATOM 2053 N GLU A 133 9.485 -17.316 -4.562 1.00 45.11 N ATOM 2054 CA GLU A 133 8.774 -17.994 -3.447 1.00 13.11 C ATOM 2055 C GLU A 133 7.981 -16.971 -2.576 1.00 4.30 C ATOM 2056 O GLU A 133 6.902 -17.288 -2.064 1.00 12.10 O ATOM 2057 CB GLU A 133 9.795 -18.787 -2.579 1.00 21.32 C ATOM 2058 CG GLU A 133 10.877 -17.912 -1.912 1.00 63.21 C ATOM 2059 CD GLU A 133 12.005 -18.706 -1.233 1.00 34.33 C ATOM 2060 OE1 GLU A 133 11.812 -19.192 -0.105 1.00 74.42 O ATOM 2061 OE2 GLU A 133 13.102 -18.831 -1.824 1.00 15.32 O ATOM 0 H GLU A 133 10.498 -17.433 -4.532 1.00 45.11 H new ATOM 0 HA GLU A 133 8.050 -18.691 -3.870 1.00 13.11 H new ATOM 0 HB2 GLU A 133 9.252 -19.327 -1.803 1.00 21.32 H new ATOM 0 HB3 GLU A 133 10.283 -19.534 -3.205 1.00 21.32 H new ATOM 0 HG2 GLU A 133 11.313 -17.257 -2.666 1.00 63.21 H new ATOM 0 HG3 GLU A 133 10.402 -17.271 -1.169 1.00 63.21 H new ATOM 2068 N GLN A 134 8.537 -15.738 -2.440 1.00 71.45 N ATOM 2069 CA GLN A 134 7.879 -14.620 -1.727 1.00 42.54 C ATOM 2070 C GLN A 134 6.656 -14.118 -2.524 1.00 50.41 C ATOM 2071 O GLN A 134 5.587 -13.936 -1.961 1.00 12.24 O ATOM 2072 CB GLN A 134 8.871 -13.450 -1.495 1.00 12.31 C ATOM 2073 CG GLN A 134 8.299 -12.280 -0.660 1.00 15.40 C ATOM 2074 CD GLN A 134 9.213 -11.058 -0.581 1.00 23.41 C ATOM 2075 OE1 GLN A 134 10.432 -11.163 -0.649 1.00 70.52 O ATOM 2076 NE2 GLN A 134 8.629 -9.887 -0.415 1.00 74.42 N ATOM 0 H GLN A 134 9.451 -15.496 -2.822 1.00 71.45 H new ATOM 0 HA GLN A 134 7.546 -14.990 -0.758 1.00 42.54 H new ATOM 0 HB2 GLN A 134 9.759 -13.837 -0.995 1.00 12.31 H new ATOM 0 HB3 GLN A 134 9.193 -13.066 -2.463 1.00 12.31 H new ATOM 0 HG2 GLN A 134 7.343 -11.977 -1.088 1.00 15.40 H new ATOM 0 HG3 GLN A 134 8.098 -12.635 0.351 1.00 15.40 H new ATOM 0 HE21 GLN A 134 7.612 -9.827 -0.362 1.00 74.42 H new ATOM 0 HE22 GLN A 134 9.194 -9.041 -0.340 1.00 74.42 H new ATOM 2085 N MET A 135 6.854 -13.915 -3.844 1.00 13.54 N ATOM 2086 CA MET A 135 5.781 -13.540 -4.812 1.00 43.04 C ATOM 2087 C MET A 135 4.553 -14.491 -4.697 1.00 52.41 C ATOM 2088 O MET A 135 3.399 -14.041 -4.672 1.00 3.50 O ATOM 2089 CB MET A 135 6.394 -13.529 -6.258 1.00 1.45 C ATOM 2090 CG MET A 135 5.422 -13.805 -7.421 1.00 13.54 C ATOM 2091 SD MET A 135 4.077 -12.603 -7.564 1.00 24.04 S ATOM 2092 CE MET A 135 4.890 -11.188 -8.303 1.00 35.22 C ATOM 0 H MET A 135 7.771 -14.006 -4.280 1.00 13.54 H new ATOM 0 HA MET A 135 5.407 -12.543 -4.580 1.00 43.04 H new ATOM 0 HB2 MET A 135 6.857 -12.556 -6.424 1.00 1.45 H new ATOM 0 HB3 MET A 135 7.191 -14.272 -6.296 1.00 1.45 H new ATOM 0 HG2 MET A 135 5.984 -13.817 -8.355 1.00 13.54 H new ATOM 0 HG3 MET A 135 4.994 -14.799 -7.294 1.00 13.54 H new ATOM 0 HE1 MET A 135 4.409 -10.272 -7.960 1.00 35.22 H new ATOM 0 HE2 MET A 135 5.940 -11.178 -8.010 1.00 35.22 H new ATOM 0 HE3 MET A 135 4.817 -11.252 -9.389 1.00 35.22 H new ATOM 2102 N GLN A 136 4.831 -15.802 -4.584 1.00 13.21 N ATOM 2103 CA GLN A 136 3.784 -16.835 -4.406 1.00 63.45 C ATOM 2104 C GLN A 136 3.106 -16.729 -3.020 1.00 4.34 C ATOM 2105 O GLN A 136 1.884 -16.764 -2.927 1.00 31.23 O ATOM 2106 CB GLN A 136 4.389 -18.249 -4.602 1.00 74.23 C ATOM 2107 CG GLN A 136 4.963 -18.494 -6.012 1.00 3.11 C ATOM 2108 CD GLN A 136 3.916 -18.419 -7.134 1.00 11.11 C ATOM 2109 OE1 GLN A 136 2.759 -18.791 -6.956 1.00 44.25 O ATOM 2110 NE2 GLN A 136 4.304 -17.902 -8.288 1.00 3.00 N ATOM 0 H GLN A 136 5.779 -16.178 -4.613 1.00 13.21 H new ATOM 0 HA GLN A 136 3.018 -16.665 -5.162 1.00 63.45 H new ATOM 0 HB2 GLN A 136 5.180 -18.400 -3.867 1.00 74.23 H new ATOM 0 HB3 GLN A 136 3.619 -18.994 -4.399 1.00 74.23 H new ATOM 0 HG2 GLN A 136 5.744 -17.759 -6.208 1.00 3.11 H new ATOM 0 HG3 GLN A 136 5.436 -19.476 -6.035 1.00 3.11 H new ATOM 0 HE21 GLN A 136 5.270 -17.600 -8.412 1.00 3.00 H new ATOM 0 HE22 GLN A 136 3.637 -17.805 -9.054 1.00 3.00 H new ATOM 2119 N LYS A 137 3.927 -16.579 -1.964 1.00 43.12 N ATOM 2120 CA LYS A 137 3.462 -16.529 -0.550 1.00 1.11 C ATOM 2121 C LYS A 137 2.552 -15.302 -0.256 1.00 72.15 C ATOM 2122 O LYS A 137 1.594 -15.405 0.515 1.00 23.35 O ATOM 2123 CB LYS A 137 4.688 -16.561 0.408 1.00 62.11 C ATOM 2124 CG LYS A 137 4.341 -16.536 1.913 1.00 63.42 C ATOM 2125 CD LYS A 137 3.437 -17.716 2.359 1.00 63.12 C ATOM 2126 CE LYS A 137 2.989 -17.584 3.823 1.00 73.42 C ATOM 2127 NZ LYS A 137 2.188 -18.741 4.280 1.00 23.31 N ATOM 0 H LYS A 137 4.938 -16.488 -2.060 1.00 43.12 H new ATOM 0 HA LYS A 137 2.844 -17.410 -0.376 1.00 1.11 H new ATOM 0 HB2 LYS A 137 5.270 -17.459 0.199 1.00 62.11 H new ATOM 0 HB3 LYS A 137 5.328 -15.707 0.184 1.00 62.11 H new ATOM 0 HG2 LYS A 137 5.265 -16.558 2.491 1.00 63.42 H new ATOM 0 HG3 LYS A 137 3.840 -15.596 2.147 1.00 63.42 H new ATOM 0 HD2 LYS A 137 2.559 -17.762 1.715 1.00 63.12 H new ATOM 0 HD3 LYS A 137 3.977 -18.654 2.229 1.00 63.12 H new ATOM 0 HE2 LYS A 137 3.868 -17.481 4.460 1.00 73.42 H new ATOM 0 HE3 LYS A 137 2.403 -16.673 3.939 1.00 73.42 H new ATOM 0 HZ1 LYS A 137 1.912 -18.602 5.273 1.00 23.31 H new ATOM 0 HZ2 LYS A 137 1.335 -18.826 3.692 1.00 23.31 H new ATOM 0 HZ3 LYS A 137 2.754 -19.610 4.197 1.00 23.31 H new ATOM 2141 N MET A 138 2.852 -14.157 -0.885 1.00 14.34 N ATOM 2142 CA MET A 138 2.031 -12.924 -0.762 1.00 34.53 C ATOM 2143 C MET A 138 0.620 -13.143 -1.368 1.00 14.20 C ATOM 2144 O MET A 138 -0.389 -12.663 -0.833 1.00 70.25 O ATOM 2145 CB MET A 138 2.750 -11.743 -1.466 1.00 20.22 C ATOM 2146 CG MET A 138 4.162 -11.401 -0.918 1.00 11.33 C ATOM 2147 SD MET A 138 4.196 -10.062 0.307 1.00 15.12 S ATOM 2148 CE MET A 138 3.438 -10.802 1.752 1.00 63.52 C ATOM 0 H MET A 138 3.664 -14.050 -1.492 1.00 14.34 H new ATOM 0 HA MET A 138 1.910 -12.685 0.295 1.00 34.53 H new ATOM 0 HB2 MET A 138 2.837 -11.974 -2.528 1.00 20.22 H new ATOM 0 HB3 MET A 138 2.122 -10.856 -1.383 1.00 20.22 H new ATOM 0 HG2 MET A 138 4.589 -12.297 -0.468 1.00 11.33 H new ATOM 0 HG3 MET A 138 4.805 -11.126 -1.754 1.00 11.33 H new ATOM 0 HE1 MET A 138 3.672 -10.203 2.632 1.00 63.52 H new ATOM 0 HE2 MET A 138 2.357 -10.841 1.616 1.00 63.52 H new ATOM 0 HE3 MET A 138 3.823 -11.813 1.888 1.00 63.52 H new ATOM 2158 N ALA A 139 0.582 -13.884 -2.491 1.00 75.43 N ATOM 2159 CA ALA A 139 -0.671 -14.336 -3.127 1.00 55.11 C ATOM 2160 C ALA A 139 -1.429 -15.363 -2.234 1.00 2.10 C ATOM 2161 O ALA A 139 -2.661 -15.357 -2.188 1.00 23.15 O ATOM 2162 CB ALA A 139 -0.362 -14.930 -4.512 1.00 11.01 C ATOM 0 H ALA A 139 1.421 -14.187 -2.985 1.00 75.43 H new ATOM 0 HA ALA A 139 -1.327 -13.474 -3.248 1.00 55.11 H new ATOM 0 HB1 ALA A 139 -1.288 -15.263 -4.980 1.00 11.01 H new ATOM 0 HB2 ALA A 139 0.108 -14.170 -5.137 1.00 11.01 H new ATOM 0 HB3 ALA A 139 0.314 -15.778 -4.402 1.00 11.01 H new ATOM 2168 N GLU A 140 -0.673 -16.236 -1.521 1.00 75.01 N ATOM 2169 CA GLU A 140 -1.243 -17.243 -0.574 1.00 30.50 C ATOM 2170 C GLU A 140 -1.859 -16.574 0.682 1.00 65.53 C ATOM 2171 O GLU A 140 -2.782 -17.115 1.294 1.00 13.33 O ATOM 2172 CB GLU A 140 -0.160 -18.274 -0.150 1.00 73.33 C ATOM 2173 CG GLU A 140 0.428 -19.084 -1.317 1.00 44.54 C ATOM 2174 CD GLU A 140 1.444 -20.138 -0.858 1.00 31.02 C ATOM 2175 OE1 GLU A 140 1.027 -21.268 -0.526 1.00 5.34 O ATOM 2176 OE2 GLU A 140 2.652 -19.838 -0.806 1.00 13.03 O ATOM 0 H GLU A 140 0.345 -16.266 -1.582 1.00 75.01 H new ATOM 0 HA GLU A 140 -2.043 -17.762 -1.102 1.00 30.50 H new ATOM 0 HB2 GLU A 140 0.649 -17.747 0.356 1.00 73.33 H new ATOM 0 HB3 GLU A 140 -0.594 -18.963 0.574 1.00 73.33 H new ATOM 0 HG2 GLU A 140 -0.382 -19.577 -1.855 1.00 44.54 H new ATOM 0 HG3 GLU A 140 0.910 -18.403 -2.019 1.00 44.54 H new ATOM 2183 N MET A 141 -1.317 -15.403 1.062 1.00 72.24 N ATOM 2184 CA MET A 141 -1.867 -14.570 2.163 1.00 4.13 C ATOM 2185 C MET A 141 -3.125 -13.789 1.729 1.00 64.33 C ATOM 2186 O MET A 141 -3.870 -13.281 2.578 1.00 61.54 O ATOM 2187 CB MET A 141 -0.782 -13.582 2.662 1.00 22.13 C ATOM 2188 CG MET A 141 0.383 -14.252 3.397 1.00 25.33 C ATOM 2189 SD MET A 141 -0.102 -14.968 4.986 1.00 63.04 S ATOM 2190 CE MET A 141 -0.492 -13.501 5.950 1.00 22.32 C ATOM 0 H MET A 141 -0.489 -15.003 0.621 1.00 72.24 H new ATOM 0 HA MET A 141 -2.161 -15.242 2.970 1.00 4.13 H new ATOM 0 HB2 MET A 141 -0.389 -13.029 1.809 1.00 22.13 H new ATOM 0 HB3 MET A 141 -1.247 -12.854 3.327 1.00 22.13 H new ATOM 0 HG2 MET A 141 0.802 -15.035 2.765 1.00 25.33 H new ATOM 0 HG3 MET A 141 1.172 -13.518 3.561 1.00 25.33 H new ATOM 0 HE1 MET A 141 -0.527 -13.760 7.008 1.00 22.32 H new ATOM 0 HE2 MET A 141 0.275 -12.744 5.787 1.00 22.32 H new ATOM 0 HE3 MET A 141 -1.460 -13.109 5.640 1.00 22.32 H new ATOM 2200 N GLY A 142 -3.350 -13.692 0.406 1.00 50.45 N ATOM 2201 CA GLY A 142 -4.431 -12.866 -0.135 1.00 64.25 C ATOM 2202 C GLY A 142 -4.127 -11.366 -0.068 1.00 25.34 C ATOM 2203 O GLY A 142 -5.039 -10.546 -0.096 1.00 70.13 O ATOM 0 H GLY A 142 -2.797 -14.176 -0.301 1.00 50.45 H new ATOM 0 HA2 GLY A 142 -4.613 -13.149 -1.172 1.00 64.25 H new ATOM 0 HA3 GLY A 142 -5.348 -13.070 0.417 1.00 64.25 H new ATOM 2207 N MET A 143 -2.822 -11.018 0.024 1.00 2.44 N ATOM 2208 CA MET A 143 -2.344 -9.611 -0.003 1.00 54.03 C ATOM 2209 C MET A 143 -2.500 -9.015 -1.422 1.00 34.33 C ATOM 2210 O MET A 143 -2.749 -7.824 -1.584 1.00 55.01 O ATOM 2211 CB MET A 143 -0.855 -9.543 0.445 1.00 34.23 C ATOM 2212 CG MET A 143 -0.261 -8.121 0.504 1.00 62.34 C ATOM 2213 SD MET A 143 1.510 -8.118 0.868 1.00 42.10 S ATOM 2214 CE MET A 143 1.889 -6.361 0.895 1.00 11.00 C ATOM 0 H MET A 143 -2.071 -11.701 0.119 1.00 2.44 H new ATOM 0 HA MET A 143 -2.949 -9.025 0.689 1.00 54.03 H new ATOM 0 HB2 MET A 143 -0.766 -10.000 1.431 1.00 34.23 H new ATOM 0 HB3 MET A 143 -0.256 -10.143 -0.240 1.00 34.23 H new ATOM 0 HG2 MET A 143 -0.433 -7.620 -0.449 1.00 62.34 H new ATOM 0 HG3 MET A 143 -0.785 -7.544 1.266 1.00 62.34 H new ATOM 0 HE1 MET A 143 2.949 -6.221 1.109 1.00 11.00 H new ATOM 0 HE2 MET A 143 1.653 -5.923 -0.075 1.00 11.00 H new ATOM 0 HE3 MET A 143 1.295 -5.873 1.668 1.00 11.00 H new ATOM 2224 N GLU A 144 -2.344 -9.886 -2.431 1.00 12.00 N ATOM 2225 CA GLU A 144 -2.516 -9.548 -3.860 1.00 43.14 C ATOM 2226 C GLU A 144 -3.912 -8.918 -4.143 1.00 31.11 C ATOM 2227 O GLU A 144 -4.028 -7.760 -4.575 1.00 62.13 O ATOM 2228 CB GLU A 144 -2.327 -10.864 -4.669 1.00 72.02 C ATOM 2229 CG GLU A 144 -2.482 -10.743 -6.195 1.00 23.12 C ATOM 2230 CD GLU A 144 -2.325 -12.085 -6.925 1.00 5.42 C ATOM 2231 OE1 GLU A 144 -1.228 -12.662 -6.876 1.00 53.21 O ATOM 2232 OE2 GLU A 144 -3.299 -12.572 -7.542 1.00 1.42 O ATOM 0 H GLU A 144 -2.091 -10.862 -2.278 1.00 12.00 H new ATOM 0 HA GLU A 144 -1.780 -8.800 -4.156 1.00 43.14 H new ATOM 0 HB2 GLU A 144 -1.335 -11.260 -4.454 1.00 72.02 H new ATOM 0 HB3 GLU A 144 -3.048 -11.597 -4.307 1.00 72.02 H new ATOM 0 HG2 GLU A 144 -3.463 -10.325 -6.423 1.00 23.12 H new ATOM 0 HG3 GLU A 144 -1.740 -10.041 -6.575 1.00 23.12 H new ATOM 2239 N GLU A 145 -4.959 -9.705 -3.867 1.00 62.25 N ATOM 2240 CA GLU A 145 -6.372 -9.301 -4.038 1.00 12.41 C ATOM 2241 C GLU A 145 -6.872 -8.405 -2.870 1.00 54.02 C ATOM 2242 O GLU A 145 -7.786 -7.591 -3.055 1.00 53.20 O ATOM 2243 CB GLU A 145 -7.221 -10.587 -4.193 1.00 31.41 C ATOM 2244 CG GLU A 145 -6.746 -11.482 -5.362 1.00 25.51 C ATOM 2245 CD GLU A 145 -7.535 -12.788 -5.499 1.00 13.33 C ATOM 2246 OE1 GLU A 145 -7.379 -13.668 -4.633 1.00 24.31 O ATOM 2247 OE2 GLU A 145 -8.335 -12.935 -6.447 1.00 72.21 O ATOM 0 H GLU A 145 -4.854 -10.656 -3.513 1.00 62.25 H new ATOM 0 HA GLU A 145 -6.471 -8.686 -4.933 1.00 12.41 H new ATOM 0 HB2 GLU A 145 -7.181 -11.158 -3.265 1.00 31.41 H new ATOM 0 HB3 GLU A 145 -8.263 -10.312 -4.353 1.00 31.41 H new ATOM 0 HG2 GLU A 145 -6.826 -10.921 -6.293 1.00 25.51 H new ATOM 0 HG3 GLU A 145 -5.691 -11.718 -5.221 1.00 25.51 H new ATOM 2254 N GLY A 146 -6.255 -8.569 -1.681 1.00 42.14 N ATOM 2255 CA GLY A 146 -6.609 -7.793 -0.476 1.00 34.14 C ATOM 2256 C GLY A 146 -6.227 -6.310 -0.569 1.00 5.42 C ATOM 2257 O GLY A 146 -6.969 -5.441 -0.083 1.00 50.42 O ATOM 0 H GLY A 146 -5.501 -9.240 -1.531 1.00 42.14 H new ATOM 0 HA2 GLY A 146 -7.682 -7.873 -0.304 1.00 34.14 H new ATOM 0 HA3 GLY A 146 -6.114 -8.234 0.389 1.00 34.14 H new ATOM 2261 N MET A 147 -5.053 -6.027 -1.186 1.00 33.42 N ATOM 2262 CA MET A 147 -4.660 -4.648 -1.567 1.00 72.14 C ATOM 2263 C MET A 147 -5.694 -4.049 -2.529 1.00 40.32 C ATOM 2264 O MET A 147 -6.157 -2.945 -2.305 1.00 1.34 O ATOM 2265 CB MET A 147 -3.247 -4.590 -2.217 1.00 2.33 C ATOM 2266 CG MET A 147 -2.078 -4.624 -1.227 1.00 15.14 C ATOM 2267 SD MET A 147 -0.457 -4.605 -2.043 1.00 3.24 S ATOM 2268 CE MET A 147 -0.470 -3.024 -2.900 1.00 34.44 C ATOM 0 H MET A 147 -4.362 -6.736 -1.430 1.00 33.42 H new ATOM 0 HA MET A 147 -4.624 -4.063 -0.648 1.00 72.14 H new ATOM 0 HB2 MET A 147 -3.145 -5.429 -2.905 1.00 2.33 H new ATOM 0 HB3 MET A 147 -3.174 -3.679 -2.811 1.00 2.33 H new ATOM 0 HG2 MET A 147 -2.151 -3.767 -0.557 1.00 15.14 H new ATOM 0 HG3 MET A 147 -2.158 -5.519 -0.610 1.00 15.14 H new ATOM 0 HE1 MET A 147 -0.375 -3.191 -3.973 1.00 34.44 H new ATOM 0 HE2 MET A 147 -1.407 -2.506 -2.694 1.00 34.44 H new ATOM 0 HE3 MET A 147 0.365 -2.415 -2.553 1.00 34.44 H new ATOM 2278 N ARG A 148 -6.073 -4.816 -3.571 1.00 2.13 N ATOM 2279 CA ARG A 148 -7.055 -4.367 -4.584 1.00 50.42 C ATOM 2280 C ARG A 148 -8.396 -3.923 -3.926 1.00 3.22 C ATOM 2281 O ARG A 148 -8.936 -2.881 -4.279 1.00 30.52 O ATOM 2282 CB ARG A 148 -7.292 -5.488 -5.630 1.00 40.21 C ATOM 2283 CG ARG A 148 -8.338 -5.134 -6.710 1.00 61.41 C ATOM 2284 CD ARG A 148 -8.511 -6.217 -7.783 1.00 63.12 C ATOM 2285 NE ARG A 148 -9.638 -5.892 -8.683 1.00 44.52 N ATOM 2286 CZ ARG A 148 -9.729 -6.204 -9.959 1.00 24.03 C ATOM 2287 NH1 ARG A 148 -8.787 -6.848 -10.566 1.00 42.32 N ATOM 2288 NH2 ARG A 148 -10.771 -5.854 -10.631 1.00 35.20 N ATOM 0 H ARG A 148 -5.712 -5.756 -3.735 1.00 2.13 H new ATOM 0 HA ARG A 148 -6.643 -3.495 -5.093 1.00 50.42 H new ATOM 0 HB2 ARG A 148 -6.346 -5.720 -6.119 1.00 40.21 H new ATOM 0 HB3 ARG A 148 -7.613 -6.392 -5.112 1.00 40.21 H new ATOM 0 HG2 ARG A 148 -9.299 -4.957 -6.227 1.00 61.41 H new ATOM 0 HG3 ARG A 148 -8.047 -4.201 -7.192 1.00 61.41 H new ATOM 0 HD2 ARG A 148 -7.593 -6.310 -8.363 1.00 63.12 H new ATOM 0 HD3 ARG A 148 -8.687 -7.182 -7.307 1.00 63.12 H new ATOM 0 HE ARG A 148 -10.419 -5.377 -8.277 1.00 44.52 H new ATOM 0 HH11 ARG A 148 -7.949 -7.127 -10.056 1.00 42.32 H new ATOM 0 HH12 ARG A 148 -8.882 -7.078 -11.555 1.00 42.32 H new ATOM 0 HH21 ARG A 148 -11.522 -5.337 -10.174 1.00 35.20 H new ATOM 0 HH22 ARG A 148 -10.845 -6.094 -11.620 1.00 35.20 H new ATOM 2302 N GLU A 149 -8.884 -4.713 -2.941 1.00 44.02 N ATOM 2303 CA GLU A 149 -10.103 -4.375 -2.144 1.00 31.52 C ATOM 2304 C GLU A 149 -9.937 -3.039 -1.370 1.00 15.10 C ATOM 2305 O GLU A 149 -10.833 -2.186 -1.376 1.00 21.40 O ATOM 2306 CB GLU A 149 -10.415 -5.526 -1.153 1.00 62.03 C ATOM 2307 CG GLU A 149 -10.833 -6.843 -1.822 1.00 61.05 C ATOM 2308 CD GLU A 149 -11.032 -7.985 -0.813 1.00 64.23 C ATOM 2309 OE1 GLU A 149 -11.964 -7.886 0.022 1.00 64.32 O ATOM 2310 OE2 GLU A 149 -10.275 -8.984 -0.849 1.00 30.13 O ATOM 0 H GLU A 149 -8.453 -5.598 -2.672 1.00 44.02 H new ATOM 0 HA GLU A 149 -10.933 -4.251 -2.840 1.00 31.52 H new ATOM 0 HB2 GLU A 149 -9.534 -5.709 -0.538 1.00 62.03 H new ATOM 0 HB3 GLU A 149 -11.211 -5.205 -0.481 1.00 62.03 H new ATOM 0 HG2 GLU A 149 -11.759 -6.687 -2.375 1.00 61.05 H new ATOM 0 HG3 GLU A 149 -10.074 -7.134 -2.548 1.00 61.05 H new ATOM 2317 N ALA A 150 -8.771 -2.884 -0.715 1.00 14.31 N ATOM 2318 CA ALA A 150 -8.407 -1.661 0.044 1.00 63.30 C ATOM 2319 C ALA A 150 -8.342 -0.409 -0.873 1.00 21.40 C ATOM 2320 O ALA A 150 -8.776 0.683 -0.497 1.00 63.20 O ATOM 2321 CB ALA A 150 -7.054 -1.878 0.742 1.00 3.54 C ATOM 0 H ALA A 150 -8.048 -3.604 -0.694 1.00 14.31 H new ATOM 0 HA ALA A 150 -9.183 -1.479 0.787 1.00 63.30 H new ATOM 0 HB1 ALA A 150 -6.785 -0.981 1.300 1.00 3.54 H new ATOM 0 HB2 ALA A 150 -7.129 -2.723 1.427 1.00 3.54 H new ATOM 0 HB3 ALA A 150 -6.288 -2.084 -0.005 1.00 3.54 H new ATOM 2327 N ILE A 151 -7.804 -0.610 -2.085 1.00 12.24 N ATOM 2328 CA ILE A 151 -7.589 0.456 -3.086 1.00 42.12 C ATOM 2329 C ILE A 151 -8.914 0.820 -3.823 1.00 64.21 C ATOM 2330 O ILE A 151 -9.082 1.943 -4.314 1.00 42.23 O ATOM 2331 CB ILE A 151 -6.424 0.027 -4.071 1.00 24.31 C ATOM 2332 CG1 ILE A 151 -5.102 -0.237 -3.255 1.00 43.33 C ATOM 2333 CG2 ILE A 151 -6.181 1.081 -5.182 1.00 40.00 C ATOM 2334 CD1 ILE A 151 -4.019 -1.011 -3.997 1.00 50.52 C ATOM 0 H ILE A 151 -7.500 -1.529 -2.406 1.00 12.24 H new ATOM 0 HA ILE A 151 -7.275 1.371 -2.583 1.00 42.12 H new ATOM 0 HB ILE A 151 -6.730 -0.893 -4.568 1.00 24.31 H new ATOM 0 HG12 ILE A 151 -4.690 0.723 -2.943 1.00 43.33 H new ATOM 0 HG13 ILE A 151 -5.358 -0.784 -2.348 1.00 43.33 H new ATOM 0 HG21 ILE A 151 -5.374 0.744 -5.833 1.00 40.00 H new ATOM 0 HG22 ILE A 151 -7.091 1.208 -5.768 1.00 40.00 H new ATOM 0 HG23 ILE A 151 -5.907 2.033 -4.727 1.00 40.00 H new ATOM 0 HD11 ILE A 151 -3.153 -1.138 -3.347 1.00 50.52 H new ATOM 0 HD12 ILE A 151 -4.404 -1.989 -4.285 1.00 50.52 H new ATOM 0 HD13 ILE A 151 -3.725 -0.460 -4.890 1.00 50.52 H new ATOM 2346 N GLU A 152 -9.867 -0.131 -3.845 1.00 70.41 N ATOM 2347 CA GLU A 152 -11.267 0.129 -4.270 1.00 24.43 C ATOM 2348 C GLU A 152 -12.053 0.885 -3.172 1.00 34.23 C ATOM 2349 O GLU A 152 -13.055 1.545 -3.468 1.00 73.22 O ATOM 2350 CB GLU A 152 -11.991 -1.197 -4.623 1.00 13.34 C ATOM 2351 CG GLU A 152 -11.466 -1.888 -5.896 1.00 42.12 C ATOM 2352 CD GLU A 152 -12.186 -3.203 -6.230 1.00 34.44 C ATOM 2353 OE1 GLU A 152 -13.378 -3.148 -6.614 1.00 23.20 O ATOM 2354 OE2 GLU A 152 -11.575 -4.291 -6.127 1.00 44.24 O ATOM 0 H GLU A 152 -9.695 -1.098 -3.571 1.00 70.41 H new ATOM 0 HA GLU A 152 -11.229 0.756 -5.160 1.00 24.43 H new ATOM 0 HB2 GLU A 152 -11.893 -1.885 -3.784 1.00 13.34 H new ATOM 0 HB3 GLU A 152 -13.055 -0.994 -4.746 1.00 13.34 H new ATOM 0 HG2 GLU A 152 -11.570 -1.204 -6.738 1.00 42.12 H new ATOM 0 HG3 GLU A 152 -10.401 -2.088 -5.777 1.00 42.12 H new ATOM 2361 N GLN A 153 -11.597 0.786 -1.902 1.00 11.45 N ATOM 2362 CA GLN A 153 -12.238 1.479 -0.767 1.00 44.51 C ATOM 2363 C GLN A 153 -11.712 2.935 -0.635 1.00 24.13 C ATOM 2364 O GLN A 153 -12.313 3.746 0.062 1.00 23.31 O ATOM 2365 CB GLN A 153 -12.006 0.676 0.541 1.00 75.14 C ATOM 2366 CG GLN A 153 -12.805 1.181 1.769 1.00 23.20 C ATOM 2367 CD GLN A 153 -12.549 0.388 3.057 1.00 43.45 C ATOM 2368 OE1 GLN A 153 -11.347 -0.119 3.234 1.00 13.41 O flip ATOM 2369 NE2 GLN A 153 -13.428 0.254 3.904 1.00 64.04 N flip ATOM 0 H GLN A 153 -10.783 0.229 -1.640 1.00 11.45 H new ATOM 0 HA GLN A 153 -13.311 1.537 -0.952 1.00 44.51 H new ATOM 0 HB2 GLN A 153 -12.267 -0.367 0.361 1.00 75.14 H new ATOM 0 HB3 GLN A 153 -10.943 0.702 0.782 1.00 75.14 H new ATOM 0 HG2 GLN A 153 -12.556 2.228 1.945 1.00 23.20 H new ATOM 0 HG3 GLN A 153 -13.869 1.141 1.537 1.00 23.20 H new ATOM 0 HE21 GLN A 153 -14.353 0.655 3.747 1.00 64.04 H new ATOM 0 HE22 GLN A 153 -13.233 -0.258 4.764 1.00 64.04 H new ATOM 2378 N ILE A 154 -10.595 3.259 -1.325 1.00 52.44 N ATOM 2379 CA ILE A 154 -10.071 4.649 -1.397 1.00 50.54 C ATOM 2380 C ILE A 154 -11.102 5.592 -2.048 1.00 72.14 C ATOM 2381 O ILE A 154 -11.254 6.746 -1.631 1.00 63.32 O ATOM 2382 CB ILE A 154 -8.738 4.727 -2.211 1.00 43.24 C ATOM 2383 CG1 ILE A 154 -7.643 3.856 -1.553 1.00 52.32 C ATOM 2384 CG2 ILE A 154 -8.256 6.197 -2.374 1.00 3.22 C ATOM 2385 CD1 ILE A 154 -6.348 3.773 -2.336 1.00 54.42 C ATOM 0 H ILE A 154 -10.037 2.579 -1.841 1.00 52.44 H new ATOM 0 HA ILE A 154 -9.877 4.962 -0.371 1.00 50.54 H new ATOM 0 HB ILE A 154 -8.934 4.334 -3.208 1.00 43.24 H new ATOM 0 HG12 ILE A 154 -7.428 4.254 -0.561 1.00 52.32 H new ATOM 0 HG13 ILE A 154 -8.034 2.848 -1.414 1.00 52.32 H new ATOM 0 HG21 ILE A 154 -7.327 6.214 -2.944 1.00 3.22 H new ATOM 0 HG22 ILE A 154 -9.017 6.773 -2.901 1.00 3.22 H new ATOM 0 HG23 ILE A 154 -8.086 6.635 -1.391 1.00 3.22 H new ATOM 0 HD11 ILE A 154 -5.639 3.142 -1.800 1.00 54.42 H new ATOM 0 HD12 ILE A 154 -6.544 3.345 -3.319 1.00 54.42 H new ATOM 0 HD13 ILE A 154 -5.929 4.772 -2.453 1.00 54.42 H new ATOM 2397 N ASP A 155 -11.797 5.073 -3.080 1.00 60.44 N ATOM 2398 CA ASP A 155 -12.926 5.768 -3.731 1.00 50.01 C ATOM 2399 C ASP A 155 -13.980 6.148 -2.675 1.00 25.21 C ATOM 2400 O ASP A 155 -14.424 7.283 -2.621 1.00 32.52 O ATOM 2401 CB ASP A 155 -13.569 4.862 -4.812 1.00 20.43 C ATOM 2402 CG ASP A 155 -12.554 4.361 -5.847 1.00 55.20 C ATOM 2403 OD1 ASP A 155 -11.776 3.434 -5.531 1.00 22.23 O ATOM 2404 OD2 ASP A 155 -12.523 4.881 -6.985 1.00 65.12 O ATOM 0 H ASP A 155 -11.591 4.160 -3.486 1.00 60.44 H new ATOM 0 HA ASP A 155 -12.551 6.672 -4.211 1.00 50.01 H new ATOM 0 HB2 ASP A 155 -14.041 4.006 -4.329 1.00 20.43 H new ATOM 0 HB3 ASP A 155 -14.358 5.416 -5.322 1.00 20.43 H new ATOM 2409 N ALA A 156 -14.307 5.171 -1.807 1.00 64.44 N ATOM 2410 CA ALA A 156 -15.249 5.341 -0.677 1.00 21.51 C ATOM 2411 C ALA A 156 -14.723 6.341 0.389 1.00 0.14 C ATOM 2412 O ALA A 156 -15.506 7.009 1.038 1.00 34.04 O ATOM 2413 CB ALA A 156 -15.542 3.966 -0.034 1.00 11.34 C ATOM 0 H ALA A 156 -13.921 4.229 -1.869 1.00 64.44 H new ATOM 0 HA ALA A 156 -16.171 5.764 -1.075 1.00 21.51 H new ATOM 0 HB1 ALA A 156 -16.235 4.093 0.797 1.00 11.34 H new ATOM 0 HB2 ALA A 156 -15.985 3.304 -0.778 1.00 11.34 H new ATOM 0 HB3 ALA A 156 -14.613 3.530 0.332 1.00 11.34 H new ATOM 2419 N VAL A 157 -13.393 6.415 0.571 1.00 42.03 N ATOM 2420 CA VAL A 157 -12.754 7.348 1.544 1.00 15.55 C ATOM 2421 C VAL A 157 -12.832 8.814 1.032 1.00 72.31 C ATOM 2422 O VAL A 157 -13.070 9.747 1.808 1.00 13.13 O ATOM 2423 CB VAL A 157 -11.251 6.919 1.814 1.00 64.14 C ATOM 2424 CG1 VAL A 157 -10.468 7.960 2.659 1.00 61.34 C ATOM 2425 CG2 VAL A 157 -11.190 5.525 2.488 1.00 64.11 C ATOM 0 H VAL A 157 -12.726 5.839 0.057 1.00 42.03 H new ATOM 0 HA VAL A 157 -13.299 7.293 2.486 1.00 15.55 H new ATOM 0 HB VAL A 157 -10.765 6.869 0.840 1.00 64.14 H new ATOM 0 HG11 VAL A 157 -9.447 7.611 2.811 1.00 61.34 H new ATOM 0 HG12 VAL A 157 -10.451 8.916 2.135 1.00 61.34 H new ATOM 0 HG13 VAL A 157 -10.956 8.085 3.626 1.00 61.34 H new ATOM 0 HG21 VAL A 157 -10.150 5.251 2.664 1.00 64.11 H new ATOM 0 HG22 VAL A 157 -11.722 5.557 3.439 1.00 64.11 H new ATOM 0 HG23 VAL A 157 -11.655 4.785 1.836 1.00 64.11 H new ATOM 2435 N LEU A 158 -12.659 8.990 -0.291 1.00 1.21 N ATOM 2436 CA LEU A 158 -12.699 10.319 -0.953 1.00 15.40 C ATOM 2437 C LEU A 158 -14.135 10.693 -1.429 1.00 2.30 C ATOM 2438 O LEU A 158 -14.350 11.799 -1.942 1.00 51.54 O ATOM 2439 CB LEU A 158 -11.710 10.330 -2.159 1.00 64.41 C ATOM 2440 CG LEU A 158 -10.211 10.034 -1.817 1.00 34.25 C ATOM 2441 CD1 LEU A 158 -9.341 9.953 -3.093 1.00 54.05 C ATOM 2442 CD2 LEU A 158 -9.645 11.071 -0.817 1.00 42.44 C ATOM 0 H LEU A 158 -12.487 8.219 -0.936 1.00 1.21 H new ATOM 0 HA LEU A 158 -12.398 11.068 -0.221 1.00 15.40 H new ATOM 0 HB2 LEU A 158 -12.048 9.594 -2.888 1.00 64.41 H new ATOM 0 HB3 LEU A 158 -11.767 11.306 -2.641 1.00 64.41 H new ATOM 0 HG LEU A 158 -10.176 9.057 -1.335 1.00 34.25 H new ATOM 0 HD11 LEU A 158 -8.307 9.746 -2.816 1.00 54.05 H new ATOM 0 HD12 LEU A 158 -9.711 9.154 -3.736 1.00 54.05 H new ATOM 0 HD13 LEU A 158 -9.391 10.901 -3.628 1.00 54.05 H new ATOM 0 HD21 LEU A 158 -8.603 10.837 -0.601 1.00 42.44 H new ATOM 0 HD22 LEU A 158 -9.710 12.069 -1.251 1.00 42.44 H new ATOM 0 HD23 LEU A 158 -10.223 11.039 0.106 1.00 42.44 H new ATOM 2454 N SER A 159 -15.107 9.765 -1.250 1.00 51.01 N ATOM 2455 CA SER A 159 -16.499 9.920 -1.758 1.00 44.44 C ATOM 2456 C SER A 159 -17.517 9.231 -0.817 1.00 32.25 C ATOM 2457 O SER A 159 -18.522 8.673 -1.281 1.00 35.50 O ATOM 2458 CB SER A 159 -16.591 9.301 -3.180 1.00 54.34 C ATOM 2459 OG SER A 159 -17.762 9.702 -3.873 1.00 72.43 O ATOM 0 H SER A 159 -14.952 8.889 -0.751 1.00 51.01 H new ATOM 0 HA SER A 159 -16.743 10.982 -1.796 1.00 44.44 H new ATOM 0 HB2 SER A 159 -15.714 9.593 -3.757 1.00 54.34 H new ATOM 0 HB3 SER A 159 -16.574 8.214 -3.101 1.00 54.34 H new ATOM 0 HG SER A 159 -18.546 9.549 -3.306 1.00 72.43 H new