USER MOD reduce.3.24.130724 H: found=0, std=0, add=1085, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1084 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 137 GLN : amide:sc= 0.52 K(o=3.2,f=-4.1!) USER MOD Set 1.2: A 140 ASN : amide:sc= 2.7 K(o=3.2,f=-7.7!) USER MOD Set 2.1: A 74 TYR OH : rot 24:sc= 1.05 USER MOD Set 2.2: A 98 SER OG : rot 178:sc= 0.895 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 105:sc= 1.26 USER MOD Single : A 12 GLN : amide:sc= -0.0981 K(o=-0.098,f=-3.2!) USER MOD Single : A 13 LYS NZ :NH3+ 169:sc=-0.00137 (180deg=-0.119) USER MOD Single : A 15 THR OG1 : rot -84:sc= 1.23 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 170:sc= 0.755 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0.647 K(o=0.65,f=-5.4!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 75:sc= 1.28 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot -148:sc= 0.835 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -64:sc= 0.658 USER MOD Single : A 44 GLN : amide:sc= -2.34 X(o=-2.3,f=-2.2!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -165:sc= -0.0722 (180deg=-0.649) USER MOD Single : A 60 THR OG1 : rot -170:sc= 0.00477 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 27:sc= 0.06 USER MOD Single : A 76 SER OG : rot 180:sc= -0.0119 USER MOD Single : A 77 HIS : no HD1:sc= -0.442 X(o=-0.44,f=0) USER MOD Single : A 79 THR OG1 : rot 153:sc= 1.25 USER MOD Single : A 81 ASN : amide:sc= 0.241 X(o=0.24,f=-0.0035) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 86 LYS NZ :NH3+ -157:sc= 0.896 (180deg=0.579) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ -138:sc= 0.978 (180deg=-2.01!) USER MOD Single : A 111 TYR OH : rot 30:sc= -0.119 USER MOD Single : A 113 THR OG1 : rot -69:sc= 1.22 USER MOD Single : A 115 CYS SG : rot 12:sc= -1.52! USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= -0.223 X(o=-0.22,f=0) USER MOD Single : A 120 TYR OH : rot 167:sc= 0 USER MOD Single : A 121 ASN : amide:sc= 1.49 K(o=1.5,f=-2.7!) USER MOD Single : A 127 ASN : amide:sc= -0.185 X(o=-0.18,f=-0.3) USER MOD Single : A 132 THR OG1 : rot -90:sc= -0.203 USER MOD Single : A 134 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 HIS : no HE2:sc= 0.159 K(o=0.16,f=-0.94) USER MOD ----------------------------------------------------------------- ATOM 33 N GLU A 4 22.471 3.822 -5.873 1.00 63.23 N ATOM 34 CA GLU A 4 21.066 4.076 -5.605 1.00 10.33 C ATOM 35 C GLU A 4 20.738 3.608 -4.193 1.00 71.55 C ATOM 36 O GLU A 4 21.604 3.097 -3.474 1.00 62.13 O ATOM 37 CB GLU A 4 20.159 3.440 -6.675 1.00 41.33 C ATOM 38 CG GLU A 4 20.698 3.493 -8.105 1.00 34.23 C ATOM 39 CD GLU A 4 21.399 2.208 -8.561 1.00 63.12 C ATOM 40 OE1 GLU A 4 22.363 1.763 -7.907 1.00 61.22 O ATOM 41 OE2 GLU A 4 20.945 1.627 -9.583 1.00 45.05 O ATOM 0 HA GLU A 4 20.871 5.147 -5.662 1.00 10.33 H new ATOM 0 HB2 GLU A 4 19.986 2.397 -6.408 1.00 41.33 H new ATOM 0 HB3 GLU A 4 19.191 3.940 -6.651 1.00 41.33 H new ATOM 0 HG2 GLU A 4 19.872 3.704 -8.785 1.00 34.23 H new ATOM 0 HG3 GLU A 4 21.398 4.324 -8.187 1.00 34.23 H new ATOM 48 N GLU A 5 19.495 3.822 -3.781 1.00 13.13 N ATOM 49 CA GLU A 5 18.995 3.259 -2.538 1.00 43.34 C ATOM 50 C GLU A 5 18.791 1.745 -2.712 1.00 43.41 C ATOM 51 O GLU A 5 18.817 1.208 -3.823 1.00 32.52 O ATOM 52 CB GLU A 5 17.673 3.939 -2.161 1.00 32.40 C ATOM 53 CG GLU A 5 17.613 4.581 -0.786 1.00 2.34 C ATOM 54 CD GLU A 5 18.377 5.896 -0.705 1.00 30.34 C ATOM 55 OE1 GLU A 5 19.608 5.873 -0.498 1.00 5.10 O ATOM 56 OE2 GLU A 5 17.725 6.969 -0.693 1.00 25.21 O ATOM 0 H GLU A 5 18.814 4.383 -4.293 1.00 13.13 H new ATOM 0 HA GLU A 5 19.715 3.429 -1.738 1.00 43.34 H new ATOM 0 HB2 GLU A 5 17.458 4.705 -2.906 1.00 32.40 H new ATOM 0 HB3 GLU A 5 16.876 3.198 -2.227 1.00 32.40 H new ATOM 0 HG2 GLU A 5 16.571 4.756 -0.519 1.00 2.34 H new ATOM 0 HG3 GLU A 5 18.018 3.887 -0.050 1.00 2.34 H new ATOM 63 N ASP A 6 18.501 1.073 -1.607 1.00 32.51 N ATOM 64 CA ASP A 6 18.356 -0.370 -1.486 1.00 11.23 C ATOM 65 C ASP A 6 16.963 -0.691 -0.975 1.00 25.41 C ATOM 66 O ASP A 6 16.555 -0.244 0.099 1.00 62.25 O ATOM 67 CB ASP A 6 19.439 -0.947 -0.572 1.00 62.41 C ATOM 68 CG ASP A 6 19.060 -2.283 0.063 1.00 73.14 C ATOM 69 OD1 ASP A 6 18.463 -3.133 -0.631 1.00 12.10 O ATOM 70 OD2 ASP A 6 19.269 -2.407 1.294 1.00 71.14 O ATOM 0 H ASP A 6 18.352 1.550 -0.718 1.00 32.51 H new ATOM 0 HA ASP A 6 18.483 -0.833 -2.464 1.00 11.23 H new ATOM 0 HB2 ASP A 6 20.356 -1.075 -1.147 1.00 62.41 H new ATOM 0 HB3 ASP A 6 19.656 -0.228 0.218 1.00 62.41 H new ATOM 75 N PHE A 7 16.261 -1.488 -1.773 1.00 73.33 N ATOM 76 CA PHE A 7 14.902 -1.972 -1.599 1.00 30.11 C ATOM 77 C PHE A 7 14.655 -2.668 -0.257 1.00 62.12 C ATOM 78 O PHE A 7 13.505 -2.785 0.162 1.00 42.43 O ATOM 79 CB PHE A 7 14.538 -2.825 -2.818 1.00 53.14 C ATOM 80 CG PHE A 7 15.032 -4.263 -2.783 1.00 2.03 C ATOM 81 CD1 PHE A 7 16.291 -4.607 -3.314 1.00 10.43 C ATOM 82 CD2 PHE A 7 14.211 -5.271 -2.236 1.00 10.32 C ATOM 83 CE1 PHE A 7 16.701 -5.952 -3.326 1.00 73.22 C ATOM 84 CE2 PHE A 7 14.633 -6.612 -2.224 1.00 74.42 C ATOM 85 CZ PHE A 7 15.877 -6.954 -2.783 1.00 32.55 C ATOM 0 H PHE A 7 16.670 -1.843 -2.638 1.00 73.33 H new ATOM 0 HA PHE A 7 14.227 -1.118 -1.549 1.00 30.11 H new ATOM 0 HB2 PHE A 7 13.453 -2.835 -2.922 1.00 53.14 H new ATOM 0 HB3 PHE A 7 14.939 -2.343 -3.710 1.00 53.14 H new ATOM 0 HD1 PHE A 7 16.939 -3.840 -3.711 1.00 10.43 H new ATOM 0 HD2 PHE A 7 13.248 -5.010 -1.822 1.00 10.32 H new ATOM 0 HE1 PHE A 7 17.656 -6.218 -3.755 1.00 73.22 H new ATOM 0 HE2 PHE A 7 14.005 -7.375 -1.788 1.00 74.42 H new ATOM 0 HZ PHE A 7 16.199 -7.985 -2.795 1.00 32.55 H new ATOM 95 N LYS A 8 15.710 -3.067 0.452 1.00 2.22 N ATOM 96 CA LYS A 8 15.680 -3.499 1.843 1.00 2.13 C ATOM 97 C LYS A 8 15.873 -2.288 2.774 1.00 65.33 C ATOM 98 O LYS A 8 14.986 -1.959 3.563 1.00 10.11 O ATOM 99 CB LYS A 8 16.733 -4.614 1.951 1.00 41.02 C ATOM 100 CG LYS A 8 17.248 -4.927 3.350 1.00 13.13 C ATOM 101 CD LYS A 8 18.280 -6.055 3.253 1.00 11.44 C ATOM 102 CE LYS A 8 19.105 -6.106 4.535 1.00 62.41 C ATOM 103 NZ LYS A 8 20.226 -7.056 4.440 1.00 63.12 N ATOM 0 H LYS A 8 16.648 -3.098 0.053 1.00 2.22 H new ATOM 0 HA LYS A 8 14.724 -3.911 2.165 1.00 2.13 H new ATOM 0 HB2 LYS A 8 16.309 -5.526 1.531 1.00 41.02 H new ATOM 0 HB3 LYS A 8 17.584 -4.342 1.327 1.00 41.02 H new ATOM 0 HG2 LYS A 8 17.699 -4.039 3.794 1.00 13.13 H new ATOM 0 HG3 LYS A 8 16.424 -5.224 3.998 1.00 13.13 H new ATOM 0 HD2 LYS A 8 17.777 -7.009 3.094 1.00 11.44 H new ATOM 0 HD3 LYS A 8 18.932 -5.892 2.395 1.00 11.44 H new ATOM 0 HE2 LYS A 8 19.492 -5.111 4.755 1.00 62.41 H new ATOM 0 HE3 LYS A 8 18.461 -6.389 5.368 1.00 62.41 H new ATOM 0 HZ1 LYS A 8 20.758 -7.056 5.334 1.00 63.12 H new ATOM 0 HZ2 LYS A 8 19.857 -8.011 4.256 1.00 63.12 H new ATOM 0 HZ3 LYS A 8 20.856 -6.773 3.663 1.00 63.12 H new ATOM 117 N THR A 9 17.004 -1.591 2.694 1.00 70.23 N ATOM 118 CA THR A 9 17.379 -0.472 3.558 1.00 41.42 C ATOM 119 C THR A 9 16.334 0.643 3.603 1.00 24.11 C ATOM 120 O THR A 9 16.048 1.180 4.679 1.00 50.24 O ATOM 121 CB THR A 9 18.738 0.068 3.085 1.00 54.02 C ATOM 122 OG1 THR A 9 19.708 -0.928 3.357 1.00 54.31 O ATOM 123 CG2 THR A 9 19.143 1.394 3.745 1.00 45.33 C ATOM 0 H THR A 9 17.716 -1.799 1.994 1.00 70.23 H new ATOM 0 HA THR A 9 17.445 -0.843 4.581 1.00 41.42 H new ATOM 0 HB THR A 9 18.664 0.287 2.020 1.00 54.02 H new ATOM 0 HG1 THR A 9 19.963 -1.373 2.522 1.00 54.31 H new ATOM 0 HG21 THR A 9 20.113 1.711 3.360 1.00 45.33 H new ATOM 0 HG22 THR A 9 18.397 2.156 3.519 1.00 45.33 H new ATOM 0 HG23 THR A 9 19.208 1.258 4.825 1.00 45.33 H new ATOM 131 N PHE A 10 15.784 1.039 2.457 1.00 51.22 N ATOM 132 CA PHE A 10 14.859 2.162 2.394 1.00 5.33 C ATOM 133 C PHE A 10 13.556 1.781 3.124 1.00 24.31 C ATOM 134 O PHE A 10 12.863 2.646 3.654 1.00 11.03 O ATOM 135 CB PHE A 10 14.624 2.562 0.922 1.00 4.42 C ATOM 136 CG PHE A 10 13.386 1.981 0.273 1.00 4.44 C ATOM 137 CD1 PHE A 10 13.208 0.588 0.200 1.00 3.20 C ATOM 138 CD2 PHE A 10 12.425 2.840 -0.292 1.00 51.21 C ATOM 139 CE1 PHE A 10 12.068 0.056 -0.413 1.00 22.54 C ATOM 140 CE2 PHE A 10 11.294 2.302 -0.924 1.00 70.32 C ATOM 141 CZ PHE A 10 11.115 0.910 -0.974 1.00 11.33 C ATOM 0 H PHE A 10 15.966 0.595 1.557 1.00 51.22 H new ATOM 0 HA PHE A 10 15.276 3.035 2.896 1.00 5.33 H new ATOM 0 HB2 PHE A 10 14.565 3.649 0.865 1.00 4.42 H new ATOM 0 HB3 PHE A 10 15.494 2.259 0.339 1.00 4.42 H new ATOM 0 HD1 PHE A 10 13.953 -0.073 0.618 1.00 3.20 H new ATOM 0 HD2 PHE A 10 12.558 3.910 -0.239 1.00 51.21 H new ATOM 0 HE1 PHE A 10 11.925 -1.014 -0.452 1.00 22.54 H new ATOM 0 HE2 PHE A 10 10.562 2.958 -1.372 1.00 70.32 H new ATOM 0 HZ PHE A 10 10.237 0.498 -1.448 1.00 11.33 H new ATOM 151 N LEU A 11 13.246 0.481 3.191 1.00 63.52 N ATOM 152 CA LEU A 11 11.995 -0.088 3.670 1.00 50.33 C ATOM 153 C LEU A 11 11.932 -0.019 5.191 1.00 4.32 C ATOM 154 O LEU A 11 10.895 0.331 5.755 1.00 52.15 O ATOM 155 CB LEU A 11 11.900 -1.540 3.170 1.00 21.13 C ATOM 156 CG LEU A 11 10.475 -2.096 3.048 1.00 72.25 C ATOM 157 CD1 LEU A 11 9.673 -1.379 1.951 1.00 4.24 C ATOM 158 CD2 LEU A 11 10.577 -3.585 2.693 1.00 21.42 C ATOM 0 H LEU A 11 13.905 -0.238 2.893 1.00 63.52 H new ATOM 0 HA LEU A 11 11.148 0.480 3.285 1.00 50.33 H new ATOM 0 HB2 LEU A 11 12.383 -1.604 2.195 1.00 21.13 H new ATOM 0 HB3 LEU A 11 12.466 -2.179 3.848 1.00 21.13 H new ATOM 0 HG LEU A 11 9.958 -1.941 3.995 1.00 72.25 H new ATOM 0 HD11 LEU A 11 8.670 -1.803 1.898 1.00 4.24 H new ATOM 0 HD12 LEU A 11 9.606 -0.316 2.185 1.00 4.24 H new ATOM 0 HD13 LEU A 11 10.173 -1.508 0.991 1.00 4.24 H new ATOM 0 HD21 LEU A 11 9.576 -4.006 2.600 1.00 21.42 H new ATOM 0 HD22 LEU A 11 11.108 -3.698 1.748 1.00 21.42 H new ATOM 0 HD23 LEU A 11 11.120 -4.110 3.479 1.00 21.42 H new ATOM 170 N GLN A 12 13.074 -0.239 5.853 1.00 42.34 N ATOM 171 CA GLN A 12 13.258 0.007 7.283 1.00 44.43 C ATOM 172 C GLN A 12 12.809 1.424 7.643 1.00 21.10 C ATOM 173 O GLN A 12 12.178 1.657 8.670 1.00 3.53 O ATOM 174 CB GLN A 12 14.746 -0.114 7.648 1.00 54.11 C ATOM 175 CG GLN A 12 15.347 -1.504 7.439 1.00 63.43 C ATOM 176 CD GLN A 12 16.821 -1.504 7.820 1.00 11.40 C ATOM 177 OE1 GLN A 12 17.699 -1.455 6.960 1.00 22.12 O ATOM 178 NE2 GLN A 12 17.140 -1.575 9.096 1.00 23.20 N ATOM 0 H GLN A 12 13.912 -0.601 5.397 1.00 42.34 H new ATOM 0 HA GLN A 12 12.665 -0.727 7.828 1.00 44.43 H new ATOM 0 HB2 GLN A 12 15.311 0.604 7.053 1.00 54.11 H new ATOM 0 HB3 GLN A 12 14.873 0.168 8.693 1.00 54.11 H new ATOM 0 HG2 GLN A 12 14.808 -2.235 8.042 1.00 63.43 H new ATOM 0 HG3 GLN A 12 15.233 -1.804 6.397 1.00 63.43 H new ATOM 0 HE21 GLN A 12 16.406 -1.615 9.804 1.00 23.20 H new ATOM 0 HE22 GLN A 12 18.121 -1.590 9.376 1.00 23.20 H new ATOM 187 N LYS A 13 13.167 2.387 6.795 1.00 63.12 N ATOM 188 CA LYS A 13 12.897 3.796 7.023 1.00 62.23 C ATOM 189 C LYS A 13 11.438 4.069 6.704 1.00 31.40 C ATOM 190 O LYS A 13 10.749 4.676 7.527 1.00 11.51 O ATOM 191 CB LYS A 13 13.866 4.644 6.188 1.00 1.31 C ATOM 192 CG LYS A 13 15.315 4.320 6.580 1.00 52.02 C ATOM 193 CD LYS A 13 16.309 5.096 5.722 1.00 3.31 C ATOM 194 CE LYS A 13 17.733 4.978 6.287 1.00 63.12 C ATOM 195 NZ LYS A 13 18.148 3.569 6.446 1.00 73.53 N ATOM 0 H LYS A 13 13.659 2.203 5.921 1.00 63.12 H new ATOM 0 HA LYS A 13 13.061 4.068 8.066 1.00 62.23 H new ATOM 0 HB2 LYS A 13 13.714 4.446 5.127 1.00 1.31 H new ATOM 0 HB3 LYS A 13 13.665 5.704 6.347 1.00 1.31 H new ATOM 0 HG2 LYS A 13 15.472 4.562 7.631 1.00 52.02 H new ATOM 0 HG3 LYS A 13 15.493 3.250 6.469 1.00 52.02 H new ATOM 0 HD2 LYS A 13 16.287 4.717 4.700 1.00 3.31 H new ATOM 0 HD3 LYS A 13 16.017 6.145 5.679 1.00 3.31 H new ATOM 0 HE2 LYS A 13 18.430 5.489 5.623 1.00 63.12 H new ATOM 0 HE3 LYS A 13 17.784 5.482 7.252 1.00 63.12 H new ATOM 0 HZ1 LYS A 13 19.167 3.528 6.649 1.00 73.53 H new ATOM 0 HZ2 LYS A 13 17.621 3.138 7.232 1.00 73.53 H new ATOM 0 HZ3 LYS A 13 17.949 3.047 5.569 1.00 73.53 H new ATOM 209 N PHE A 14 10.959 3.578 5.557 1.00 43.22 N ATOM 210 CA PHE A 14 9.579 3.678 5.085 1.00 22.41 C ATOM 211 C PHE A 14 8.565 3.258 6.156 1.00 52.25 C ATOM 212 O PHE A 14 7.488 3.840 6.235 1.00 62.14 O ATOM 213 CB PHE A 14 9.412 2.855 3.798 1.00 30.33 C ATOM 214 CG PHE A 14 8.090 3.036 3.069 1.00 11.14 C ATOM 215 CD1 PHE A 14 7.706 4.305 2.591 1.00 10.44 C ATOM 216 CD2 PHE A 14 7.265 1.923 2.812 1.00 32.12 C ATOM 217 CE1 PHE A 14 6.522 4.452 1.845 1.00 71.44 C ATOM 218 CE2 PHE A 14 6.073 2.074 2.082 1.00 53.15 C ATOM 219 CZ PHE A 14 5.702 3.338 1.594 1.00 10.01 C ATOM 0 H PHE A 14 11.556 3.075 4.901 1.00 43.22 H new ATOM 0 HA PHE A 14 9.371 4.725 4.866 1.00 22.41 H new ATOM 0 HB2 PHE A 14 10.221 3.114 3.115 1.00 30.33 H new ATOM 0 HB3 PHE A 14 9.529 1.800 4.045 1.00 30.33 H new ATOM 0 HD1 PHE A 14 8.322 5.167 2.798 1.00 10.44 H new ATOM 0 HD2 PHE A 14 7.550 0.948 3.178 1.00 32.12 H new ATOM 0 HE1 PHE A 14 6.242 5.423 1.464 1.00 71.44 H new ATOM 0 HE2 PHE A 14 5.442 1.217 1.896 1.00 53.15 H new ATOM 0 HZ PHE A 14 4.790 3.454 1.028 1.00 10.01 H new ATOM 229 N THR A 15 8.909 2.304 7.015 1.00 10.43 N ATOM 230 CA THR A 15 8.004 1.718 8.003 1.00 1.32 C ATOM 231 C THR A 15 8.117 2.387 9.387 1.00 5.12 C ATOM 232 O THR A 15 7.249 2.228 10.245 1.00 5.30 O ATOM 233 CB THR A 15 8.302 0.210 8.027 1.00 2.10 C ATOM 234 OG1 THR A 15 9.689 -0.059 8.156 1.00 43.43 O ATOM 235 CG2 THR A 15 7.861 -0.430 6.707 1.00 52.31 C ATOM 0 H THR A 15 9.848 1.906 7.046 1.00 10.43 H new ATOM 0 HA THR A 15 6.964 1.889 7.724 1.00 1.32 H new ATOM 0 HB THR A 15 7.762 -0.196 8.883 1.00 2.10 H new ATOM 0 HG1 THR A 15 10.111 -0.031 7.272 1.00 43.43 H new ATOM 0 HG21 THR A 15 8.075 -1.498 6.731 1.00 52.31 H new ATOM 0 HG22 THR A 15 6.791 -0.278 6.568 1.00 52.31 H new ATOM 0 HG23 THR A 15 8.403 0.030 5.881 1.00 52.31 H new ATOM 243 N SER A 16 9.148 3.209 9.600 1.00 73.14 N ATOM 244 CA SER A 16 9.530 3.758 10.895 1.00 1.52 C ATOM 245 C SER A 16 9.441 5.289 10.875 1.00 21.02 C ATOM 246 O SER A 16 10.175 5.967 11.586 1.00 45.34 O ATOM 247 CB SER A 16 10.930 3.198 11.212 1.00 34.33 C ATOM 248 OG SER A 16 11.274 3.274 12.581 1.00 74.41 O ATOM 0 H SER A 16 9.759 3.519 8.845 1.00 73.14 H new ATOM 0 HA SER A 16 8.853 3.461 11.696 1.00 1.52 H new ATOM 0 HB2 SER A 16 10.977 2.157 10.892 1.00 34.33 H new ATOM 0 HB3 SER A 16 11.671 3.745 10.629 1.00 34.33 H new ATOM 0 HG SER A 16 12.171 2.902 12.714 1.00 74.41 H new ATOM 254 N SER A 17 8.570 5.854 10.040 1.00 65.31 N ATOM 255 CA SER A 17 8.259 7.272 10.024 1.00 72.22 C ATOM 256 C SER A 17 6.977 7.425 9.223 1.00 72.14 C ATOM 257 O SER A 17 6.831 6.787 8.176 1.00 41.21 O ATOM 258 CB SER A 17 9.423 8.031 9.377 1.00 63.11 C ATOM 259 OG SER A 17 9.088 9.344 8.978 1.00 10.31 O ATOM 0 H SER A 17 8.052 5.321 9.342 1.00 65.31 H new ATOM 0 HA SER A 17 8.120 7.679 11.026 1.00 72.22 H new ATOM 0 HB2 SER A 17 10.254 8.075 10.081 1.00 63.11 H new ATOM 0 HB3 SER A 17 9.771 7.473 8.508 1.00 63.11 H new ATOM 0 HG SER A 17 9.902 9.827 8.724 1.00 10.31 H new ATOM 265 N ALA A 18 6.075 8.287 9.672 1.00 52.53 N ATOM 266 CA ALA A 18 4.966 8.755 8.862 1.00 31.30 C ATOM 267 C ALA A 18 5.480 9.731 7.805 1.00 42.31 C ATOM 268 O ALA A 18 5.184 9.601 6.620 1.00 51.33 O ATOM 269 CB ALA A 18 3.958 9.419 9.790 1.00 10.12 C ATOM 0 H ALA A 18 6.095 8.681 10.613 1.00 52.53 H new ATOM 0 HA ALA A 18 4.484 7.929 8.339 1.00 31.30 H new ATOM 0 HB1 ALA A 18 3.111 9.782 9.208 1.00 10.12 H new ATOM 0 HB2 ALA A 18 3.609 8.695 10.526 1.00 10.12 H new ATOM 0 HB3 ALA A 18 4.432 10.257 10.302 1.00 10.12 H new ATOM 275 N SER A 19 6.286 10.706 8.218 1.00 42.55 N ATOM 276 CA SER A 19 6.739 11.797 7.364 1.00 61.22 C ATOM 277 C SER A 19 7.514 11.289 6.143 1.00 24.32 C ATOM 278 O SER A 19 7.244 11.714 5.017 1.00 62.33 O ATOM 279 CB SER A 19 7.587 12.745 8.218 1.00 72.33 C ATOM 280 OG SER A 19 6.876 13.111 9.391 1.00 62.31 O ATOM 0 H SER A 19 6.647 10.760 9.170 1.00 42.55 H new ATOM 0 HA SER A 19 5.876 12.329 6.964 1.00 61.22 H new ATOM 0 HB2 SER A 19 8.526 12.262 8.488 1.00 72.33 H new ATOM 0 HB3 SER A 19 7.840 13.636 7.644 1.00 72.33 H new ATOM 0 HG SER A 19 7.426 13.716 9.932 1.00 62.31 H new ATOM 286 N PHE A 20 8.460 10.365 6.332 1.00 25.32 N ATOM 287 CA PHE A 20 9.204 9.773 5.227 1.00 23.34 C ATOM 288 C PHE A 20 8.297 8.861 4.390 1.00 33.30 C ATOM 289 O PHE A 20 8.495 8.824 3.176 1.00 5.03 O ATOM 290 CB PHE A 20 10.468 9.080 5.765 1.00 54.15 C ATOM 291 CG PHE A 20 11.348 8.323 4.774 1.00 73.31 C ATOM 292 CD1 PHE A 20 10.891 7.145 4.146 1.00 54.01 C ATOM 293 CD2 PHE A 20 12.671 8.748 4.541 1.00 33.33 C ATOM 294 CE1 PHE A 20 11.730 6.405 3.297 1.00 51.23 C ATOM 295 CE2 PHE A 20 13.514 8.010 3.690 1.00 34.43 C ATOM 296 CZ PHE A 20 13.046 6.836 3.073 1.00 25.21 C ATOM 0 H PHE A 20 8.727 10.011 7.250 1.00 25.32 H new ATOM 0 HA PHE A 20 9.545 10.550 4.543 1.00 23.34 H new ATOM 0 HB2 PHE A 20 11.085 9.838 6.247 1.00 54.15 H new ATOM 0 HB3 PHE A 20 10.160 8.379 6.541 1.00 54.15 H new ATOM 0 HD1 PHE A 20 9.880 6.807 4.321 1.00 54.01 H new ATOM 0 HD2 PHE A 20 13.040 9.644 5.018 1.00 33.33 H new ATOM 0 HE1 PHE A 20 11.364 5.508 2.819 1.00 51.23 H new ATOM 0 HE2 PHE A 20 14.524 8.346 3.510 1.00 34.43 H new ATOM 0 HZ PHE A 20 13.699 6.267 2.428 1.00 25.21 H new ATOM 306 N GLN A 21 7.306 8.173 4.986 1.00 41.14 N ATOM 307 CA GLN A 21 6.326 7.345 4.281 1.00 1.53 C ATOM 308 C GLN A 21 5.663 8.218 3.219 1.00 51.31 C ATOM 309 O GLN A 21 5.823 7.953 2.029 1.00 14.40 O ATOM 310 CB GLN A 21 5.333 6.655 5.232 1.00 43.53 C ATOM 311 CG GLN A 21 4.387 5.728 4.448 1.00 34.00 C ATOM 312 CD GLN A 21 3.891 4.502 5.210 1.00 42.15 C ATOM 313 OE1 GLN A 21 2.727 4.147 5.095 1.00 41.21 O ATOM 314 NE2 GLN A 21 4.743 3.804 5.935 1.00 32.00 N ATOM 0 H GLN A 21 7.166 8.182 5.996 1.00 41.14 H new ATOM 0 HA GLN A 21 6.824 6.509 3.791 1.00 1.53 H new ATOM 0 HB2 GLN A 21 5.878 6.079 5.980 1.00 43.53 H new ATOM 0 HB3 GLN A 21 4.753 7.406 5.768 1.00 43.53 H new ATOM 0 HG2 GLN A 21 3.523 6.308 4.125 1.00 34.00 H new ATOM 0 HG3 GLN A 21 4.900 5.392 3.547 1.00 34.00 H new ATOM 0 HE21 GLN A 21 5.711 4.113 6.022 1.00 32.00 H new ATOM 0 HE22 GLN A 21 4.434 2.955 6.409 1.00 32.00 H new ATOM 323 N TYR A 22 5.021 9.308 3.645 1.00 10.50 N ATOM 324 CA TYR A 22 4.419 10.317 2.777 1.00 10.12 C ATOM 325 C TYR A 22 5.421 10.860 1.749 1.00 12.54 C ATOM 326 O TYR A 22 5.122 10.921 0.553 1.00 52.15 O ATOM 327 CB TYR A 22 3.824 11.431 3.661 1.00 64.22 C ATOM 328 CG TYR A 22 2.512 11.066 4.331 1.00 32.01 C ATOM 329 CD1 TYR A 22 1.383 10.799 3.536 1.00 44.31 C ATOM 330 CD2 TYR A 22 2.417 10.944 5.730 1.00 45.43 C ATOM 331 CE1 TYR A 22 0.199 10.309 4.115 1.00 61.01 C ATOM 332 CE2 TYR A 22 1.219 10.511 6.322 1.00 54.23 C ATOM 333 CZ TYR A 22 0.102 10.187 5.519 1.00 3.53 C ATOM 334 OH TYR A 22 -1.057 9.758 6.087 1.00 14.23 O ATOM 0 H TYR A 22 4.903 9.517 4.636 1.00 10.50 H new ATOM 0 HA TYR A 22 3.620 9.863 2.191 1.00 10.12 H new ATOM 0 HB2 TYR A 22 4.550 11.694 4.430 1.00 64.22 H new ATOM 0 HB3 TYR A 22 3.671 12.320 3.050 1.00 64.22 H new ATOM 0 HD1 TYR A 22 1.426 10.972 2.471 1.00 44.31 H new ATOM 0 HD2 TYR A 22 3.268 11.184 6.350 1.00 45.43 H new ATOM 0 HE1 TYR A 22 -0.634 10.027 3.488 1.00 61.01 H new ATOM 0 HE2 TYR A 22 1.151 10.425 7.396 1.00 54.23 H new ATOM 0 HH TYR A 22 -0.953 9.730 7.061 1.00 14.23 H new ATOM 344 N SER A 23 6.637 11.205 2.179 1.00 23.52 N ATOM 345 CA SER A 23 7.669 11.768 1.308 1.00 1.31 C ATOM 346 C SER A 23 8.167 10.820 0.200 1.00 5.04 C ATOM 347 O SER A 23 8.941 11.267 -0.649 1.00 5.32 O ATOM 348 CB SER A 23 8.875 12.215 2.141 1.00 45.15 C ATOM 349 OG SER A 23 8.546 13.173 3.129 1.00 32.43 O ATOM 0 H SER A 23 6.934 11.100 3.149 1.00 23.52 H new ATOM 0 HA SER A 23 7.188 12.609 0.809 1.00 1.31 H new ATOM 0 HB2 SER A 23 9.319 11.344 2.623 1.00 45.15 H new ATOM 0 HB3 SER A 23 9.632 12.632 1.477 1.00 45.15 H new ATOM 0 HG SER A 23 8.079 12.732 3.869 1.00 32.43 H new ATOM 355 N ARG A 24 7.790 9.534 0.189 1.00 54.15 N ATOM 356 CA ARG A 24 8.313 8.544 -0.753 1.00 51.12 C ATOM 357 C ARG A 24 7.271 8.169 -1.795 1.00 61.15 C ATOM 358 O ARG A 24 7.349 7.074 -2.344 1.00 43.33 O ATOM 359 CB ARG A 24 8.810 7.301 0.016 1.00 2.40 C ATOM 360 CG ARG A 24 10.044 6.611 -0.599 1.00 10.34 C ATOM 361 CD ARG A 24 11.270 7.520 -0.719 1.00 23.52 C ATOM 362 NE ARG A 24 11.499 8.268 0.526 1.00 73.25 N ATOM 363 CZ ARG A 24 11.846 9.553 0.609 1.00 12.33 C ATOM 364 NH1 ARG A 24 12.231 10.226 -0.469 1.00 65.54 N ATOM 365 NH2 ARG A 24 11.806 10.137 1.801 1.00 52.23 N ATOM 0 H ARG A 24 7.106 9.151 0.842 1.00 54.15 H new ATOM 0 HA ARG A 24 9.156 8.983 -1.287 1.00 51.12 H new ATOM 0 HB2 ARG A 24 9.047 7.595 1.039 1.00 2.40 H new ATOM 0 HB3 ARG A 24 7.997 6.577 0.073 1.00 2.40 H new ATOM 0 HG2 ARG A 24 10.305 5.745 0.010 1.00 10.34 H new ATOM 0 HG3 ARG A 24 9.783 6.238 -1.589 1.00 10.34 H new ATOM 0 HD2 ARG A 24 12.149 6.920 -0.953 1.00 23.52 H new ATOM 0 HD3 ARG A 24 11.130 8.217 -1.545 1.00 23.52 H new ATOM 0 HE ARG A 24 11.382 7.760 1.403 1.00 73.25 H new ATOM 0 HH11 ARG A 24 12.264 9.760 -1.376 1.00 65.54 H new ATOM 0 HH12 ARG A 24 12.493 11.208 -0.390 1.00 65.54 H new ATOM 0 HH21 ARG A 24 11.516 9.604 2.621 1.00 52.23 H new ATOM 0 HH22 ARG A 24 12.066 11.119 1.897 1.00 52.23 H new ATOM 379 N ILE A 25 6.263 9.002 -2.043 1.00 72.11 N ATOM 380 CA ILE A 25 5.142 8.643 -2.909 1.00 30.32 C ATOM 381 C ILE A 25 4.981 9.754 -3.953 1.00 23.33 C ATOM 382 O ILE A 25 5.551 10.832 -3.795 1.00 51.33 O ATOM 383 CB ILE A 25 3.876 8.366 -2.056 1.00 62.35 C ATOM 384 CG1 ILE A 25 4.183 7.513 -0.802 1.00 52.22 C ATOM 385 CG2 ILE A 25 2.800 7.625 -2.872 1.00 34.24 C ATOM 386 CD1 ILE A 25 3.024 7.443 0.179 1.00 14.04 C ATOM 0 H ILE A 25 6.200 9.942 -1.651 1.00 72.11 H new ATOM 0 HA ILE A 25 5.323 7.714 -3.450 1.00 30.32 H new ATOM 0 HB ILE A 25 3.513 9.346 -1.747 1.00 62.35 H new ATOM 0 HG12 ILE A 25 4.446 6.503 -1.115 1.00 52.22 H new ATOM 0 HG13 ILE A 25 5.054 7.927 -0.295 1.00 52.22 H new ATOM 0 HG21 ILE A 25 1.927 7.446 -2.245 1.00 34.24 H new ATOM 0 HG22 ILE A 25 2.512 8.232 -3.731 1.00 34.24 H new ATOM 0 HG23 ILE A 25 3.199 6.672 -3.219 1.00 34.24 H new ATOM 0 HD11 ILE A 25 3.308 6.830 1.034 1.00 14.04 H new ATOM 0 HD12 ILE A 25 2.775 8.448 0.520 1.00 14.04 H new ATOM 0 HD13 ILE A 25 2.157 7.001 -0.313 1.00 14.04 H new ATOM 398 N LYS A 26 4.264 9.509 -5.048 1.00 10.32 N ATOM 399 CA LYS A 26 3.786 10.539 -5.971 1.00 32.34 C ATOM 400 C LYS A 26 2.294 10.714 -5.703 1.00 25.14 C ATOM 401 O LYS A 26 1.601 9.722 -5.463 1.00 41.03 O ATOM 402 CB LYS A 26 4.064 10.119 -7.429 1.00 11.34 C ATOM 403 CG LYS A 26 5.374 10.700 -7.991 1.00 64.23 C ATOM 404 CD LYS A 26 6.672 10.169 -7.356 1.00 25.51 C ATOM 405 CE LYS A 26 7.848 11.146 -7.487 1.00 12.11 C ATOM 406 NZ LYS A 26 8.403 11.247 -8.854 1.00 45.21 N ATOM 0 H LYS A 26 3.992 8.566 -5.326 1.00 10.32 H new ATOM 0 HA LYS A 26 4.304 11.486 -5.818 1.00 32.34 H new ATOM 0 HB2 LYS A 26 4.104 9.031 -7.485 1.00 11.34 H new ATOM 0 HB3 LYS A 26 3.233 10.441 -8.057 1.00 11.34 H new ATOM 0 HG2 LYS A 26 5.408 10.499 -9.062 1.00 64.23 H new ATOM 0 HG3 LYS A 26 5.350 11.783 -7.870 1.00 64.23 H new ATOM 0 HD2 LYS A 26 6.495 9.962 -6.301 1.00 25.51 H new ATOM 0 HD3 LYS A 26 6.939 9.223 -7.826 1.00 25.51 H new ATOM 0 HE2 LYS A 26 7.522 12.135 -7.166 1.00 12.11 H new ATOM 0 HE3 LYS A 26 8.641 10.835 -6.807 1.00 12.11 H new ATOM 0 HZ1 LYS A 26 9.192 11.925 -8.859 1.00 45.21 H new ATOM 0 HZ2 LYS A 26 8.746 10.314 -9.159 1.00 45.21 H new ATOM 0 HZ3 LYS A 26 7.662 11.573 -9.506 1.00 45.21 H new ATOM 420 N PHE A 27 1.793 11.948 -5.705 1.00 2.43 N ATOM 421 CA PHE A 27 0.366 12.240 -5.616 1.00 2.21 C ATOM 422 C PHE A 27 -0.026 13.058 -6.849 1.00 71.31 C ATOM 423 O PHE A 27 0.652 14.042 -7.159 1.00 13.32 O ATOM 424 CB PHE A 27 -0.014 12.953 -4.300 1.00 10.40 C ATOM 425 CG PHE A 27 0.924 14.049 -3.815 1.00 74.43 C ATOM 426 CD1 PHE A 27 0.717 15.380 -4.215 1.00 44.25 C ATOM 427 CD2 PHE A 27 1.993 13.748 -2.948 1.00 41.25 C ATOM 428 CE1 PHE A 27 1.609 16.394 -3.828 1.00 62.12 C ATOM 429 CE2 PHE A 27 2.858 14.771 -2.520 1.00 73.31 C ATOM 430 CZ PHE A 27 2.686 16.085 -2.982 1.00 43.22 C ATOM 0 H PHE A 27 2.375 12.783 -5.769 1.00 2.43 H new ATOM 0 HA PHE A 27 -0.193 11.304 -5.599 1.00 2.21 H new ATOM 0 HB2 PHE A 27 -1.007 13.386 -4.423 1.00 10.40 H new ATOM 0 HB3 PHE A 27 -0.090 12.200 -3.516 1.00 10.40 H new ATOM 0 HD1 PHE A 27 -0.138 15.626 -4.827 1.00 44.25 H new ATOM 0 HD2 PHE A 27 2.148 12.733 -2.613 1.00 41.25 H new ATOM 0 HE1 PHE A 27 1.467 17.405 -4.179 1.00 62.12 H new ATOM 0 HE2 PHE A 27 3.659 14.544 -1.832 1.00 73.31 H new ATOM 0 HZ PHE A 27 3.381 16.857 -2.687 1.00 43.22 H new ATOM 440 N PRO A 28 -1.121 12.726 -7.555 1.00 13.22 N ATOM 441 CA PRO A 28 -1.924 11.502 -7.447 1.00 62.13 C ATOM 442 C PRO A 28 -1.130 10.227 -7.835 1.00 33.43 C ATOM 443 O PRO A 28 0.041 10.309 -8.200 1.00 64.51 O ATOM 444 CB PRO A 28 -3.123 11.766 -8.369 1.00 33.54 C ATOM 445 CG PRO A 28 -2.609 12.755 -9.408 1.00 24.44 C ATOM 446 CD PRO A 28 -1.652 13.600 -8.592 1.00 12.21 C ATOM 0 HA PRO A 28 -2.232 11.298 -6.422 1.00 62.13 H new ATOM 0 HB2 PRO A 28 -3.471 10.846 -8.838 1.00 33.54 H new ATOM 0 HB3 PRO A 28 -3.965 12.179 -7.813 1.00 33.54 H new ATOM 0 HG2 PRO A 28 -2.107 12.254 -10.235 1.00 24.44 H new ATOM 0 HG3 PRO A 28 -3.414 13.351 -9.838 1.00 24.44 H new ATOM 0 HD2 PRO A 28 -0.851 13.994 -9.217 1.00 12.21 H new ATOM 0 HD3 PRO A 28 -2.165 14.456 -8.154 1.00 12.21 H new ATOM 454 N LEU A 29 -1.758 9.050 -7.715 1.00 73.24 N ATOM 455 CA LEU A 29 -1.213 7.700 -7.945 1.00 2.03 C ATOM 456 C LEU A 29 -1.638 7.187 -9.338 1.00 44.22 C ATOM 457 O LEU A 29 -1.815 8.006 -10.250 1.00 4.43 O ATOM 458 CB LEU A 29 -1.664 6.780 -6.790 1.00 2.31 C ATOM 459 CG LEU A 29 -0.987 7.112 -5.446 1.00 14.44 C ATOM 460 CD1 LEU A 29 -1.765 6.471 -4.300 1.00 5.44 C ATOM 461 CD2 LEU A 29 0.444 6.578 -5.381 1.00 62.32 C ATOM 0 H LEU A 29 -2.737 9.011 -7.433 1.00 73.24 H new ATOM 0 HA LEU A 29 -0.123 7.714 -7.947 1.00 2.03 H new ATOM 0 HB2 LEU A 29 -2.745 6.858 -6.673 1.00 2.31 H new ATOM 0 HB3 LEU A 29 -1.446 5.745 -7.053 1.00 2.31 H new ATOM 0 HG LEU A 29 -0.973 8.198 -5.359 1.00 14.44 H new ATOM 0 HD11 LEU A 29 -1.281 6.710 -3.353 1.00 5.44 H new ATOM 0 HD12 LEU A 29 -2.785 6.855 -4.293 1.00 5.44 H new ATOM 0 HD13 LEU A 29 -1.786 5.390 -4.434 1.00 5.44 H new ATOM 0 HD21 LEU A 29 0.884 6.834 -4.417 1.00 62.32 H new ATOM 0 HD22 LEU A 29 0.434 5.494 -5.499 1.00 62.32 H new ATOM 0 HD23 LEU A 29 1.036 7.024 -6.180 1.00 62.32 H new ATOM 473 N LYS A 30 -1.719 5.865 -9.559 1.00 74.51 N ATOM 474 CA LYS A 30 -2.074 5.251 -10.846 1.00 34.21 C ATOM 475 C LYS A 30 -3.221 4.222 -10.778 1.00 52.05 C ATOM 476 O LYS A 30 -3.707 3.859 -11.852 1.00 53.35 O ATOM 477 CB LYS A 30 -0.818 4.630 -11.470 1.00 73.43 C ATOM 478 CG LYS A 30 0.137 5.656 -12.095 1.00 13.33 C ATOM 479 CD LYS A 30 1.435 4.971 -12.537 1.00 64.35 C ATOM 480 CE LYS A 30 2.310 5.915 -13.371 1.00 63.54 C ATOM 481 NZ LYS A 30 1.945 5.913 -14.805 1.00 1.13 N ATOM 0 H LYS A 30 -1.535 5.178 -8.828 1.00 74.51 H new ATOM 0 HA LYS A 30 -2.462 6.052 -11.475 1.00 34.21 H new ATOM 0 HB2 LYS A 30 -0.283 4.069 -10.704 1.00 73.43 H new ATOM 0 HB3 LYS A 30 -1.120 3.915 -12.236 1.00 73.43 H new ATOM 0 HG2 LYS A 30 -0.340 6.134 -12.951 1.00 13.33 H new ATOM 0 HG3 LYS A 30 0.360 6.443 -11.374 1.00 13.33 H new ATOM 0 HD2 LYS A 30 1.990 4.638 -11.660 1.00 64.35 H new ATOM 0 HD3 LYS A 30 1.198 4.081 -13.121 1.00 64.35 H new ATOM 0 HE2 LYS A 30 2.221 6.928 -12.979 1.00 63.54 H new ATOM 0 HE3 LYS A 30 3.355 5.623 -13.266 1.00 63.54 H new ATOM 0 HZ1 LYS A 30 2.566 6.567 -15.322 1.00 1.13 H new ATOM 0 HZ2 LYS A 30 2.055 4.953 -15.190 1.00 1.13 H new ATOM 0 HZ3 LYS A 30 0.956 6.217 -14.912 1.00 1.13 H new ATOM 495 N SER A 31 -3.684 3.813 -9.595 1.00 32.10 N ATOM 496 CA SER A 31 -4.566 2.680 -9.306 1.00 45.01 C ATOM 497 C SER A 31 -5.926 3.220 -8.879 1.00 25.52 C ATOM 498 O SER A 31 -6.114 3.521 -7.696 1.00 21.23 O ATOM 499 CB SER A 31 -3.927 1.778 -8.238 1.00 53.02 C ATOM 500 OG SER A 31 -4.762 0.783 -7.685 1.00 3.01 O ATOM 0 H SER A 31 -3.429 4.309 -8.741 1.00 32.10 H new ATOM 0 HA SER A 31 -4.709 2.063 -10.193 1.00 45.01 H new ATOM 0 HB2 SER A 31 -3.057 1.290 -8.677 1.00 53.02 H new ATOM 0 HB3 SER A 31 -3.564 2.410 -7.428 1.00 53.02 H new ATOM 0 HG SER A 31 -4.510 0.626 -6.751 1.00 3.01 H new ATOM 506 N PRO A 32 -6.841 3.503 -9.820 1.00 21.10 N ATOM 507 CA PRO A 32 -8.152 4.012 -9.474 1.00 2.04 C ATOM 508 C PRO A 32 -8.874 2.984 -8.621 1.00 25.42 C ATOM 509 O PRO A 32 -8.924 1.799 -8.945 1.00 22.21 O ATOM 510 CB PRO A 32 -8.868 4.267 -10.786 1.00 51.13 C ATOM 511 CG PRO A 32 -8.179 3.331 -11.775 1.00 44.01 C ATOM 512 CD PRO A 32 -6.754 3.245 -11.246 1.00 25.43 C ATOM 0 HA PRO A 32 -8.106 4.933 -8.893 1.00 2.04 H new ATOM 0 HB2 PRO A 32 -9.933 4.050 -10.707 1.00 51.13 H new ATOM 0 HB3 PRO A 32 -8.777 5.309 -11.094 1.00 51.13 H new ATOM 0 HG2 PRO A 32 -8.657 2.352 -11.802 1.00 44.01 H new ATOM 0 HG3 PRO A 32 -8.208 3.727 -12.790 1.00 44.01 H new ATOM 0 HD2 PRO A 32 -6.325 2.262 -11.439 1.00 25.43 H new ATOM 0 HD3 PRO A 32 -6.111 3.976 -11.736 1.00 25.43 H new ATOM 520 N ILE A 33 -9.472 3.489 -7.556 1.00 54.13 N ATOM 521 CA ILE A 33 -10.232 2.745 -6.569 1.00 43.42 C ATOM 522 C ILE A 33 -11.497 2.253 -7.279 1.00 25.13 C ATOM 523 O ILE A 33 -12.482 2.986 -7.419 1.00 5.23 O ATOM 524 CB ILE A 33 -10.445 3.658 -5.341 1.00 61.12 C ATOM 525 CG1 ILE A 33 -9.107 3.895 -4.601 1.00 44.12 C ATOM 526 CG2 ILE A 33 -11.472 3.106 -4.355 1.00 5.21 C ATOM 527 CD1 ILE A 33 -9.094 5.207 -3.805 1.00 42.41 C ATOM 0 H ILE A 33 -9.438 4.487 -7.346 1.00 54.13 H new ATOM 0 HA ILE A 33 -9.734 1.859 -6.174 1.00 43.42 H new ATOM 0 HB ILE A 33 -10.834 4.600 -5.729 1.00 61.12 H new ATOM 0 HG12 ILE A 33 -8.919 3.062 -3.924 1.00 44.12 H new ATOM 0 HG13 ILE A 33 -8.293 3.907 -5.326 1.00 44.12 H new ATOM 0 HG21 ILE A 33 -11.576 3.793 -3.515 1.00 5.21 H new ATOM 0 HG22 ILE A 33 -12.434 2.996 -4.855 1.00 5.21 H new ATOM 0 HG23 ILE A 33 -11.140 2.134 -3.990 1.00 5.21 H new ATOM 0 HD11 ILE A 33 -8.131 5.321 -3.307 1.00 42.41 H new ATOM 0 HD12 ILE A 33 -9.253 6.046 -4.483 1.00 42.41 H new ATOM 0 HD13 ILE A 33 -9.889 5.188 -3.059 1.00 42.41 H new ATOM 539 N ALA A 34 -11.413 1.050 -7.846 1.00 44.41 N ATOM 540 CA ALA A 34 -12.458 0.389 -8.604 1.00 13.44 C ATOM 541 C ALA A 34 -13.384 -0.320 -7.625 1.00 42.24 C ATOM 542 O ALA A 34 -12.922 -1.220 -6.920 1.00 50.10 O ATOM 543 CB ALA A 34 -11.831 -0.602 -9.589 1.00 24.23 C ATOM 0 H ALA A 34 -10.566 0.486 -7.781 1.00 44.41 H new ATOM 0 HA ALA A 34 -13.033 1.114 -9.180 1.00 13.44 H new ATOM 0 HB1 ALA A 34 -12.618 -1.097 -10.157 1.00 24.23 H new ATOM 0 HB2 ALA A 34 -11.171 -0.067 -10.273 1.00 24.23 H new ATOM 0 HB3 ALA A 34 -11.257 -1.347 -9.039 1.00 24.23 H new ATOM 549 N LEU A 35 -14.655 0.086 -7.542 1.00 14.52 N ATOM 550 CA LEU A 35 -15.596 -0.410 -6.525 1.00 54.30 C ATOM 551 C LEU A 35 -16.927 -0.815 -7.174 1.00 30.21 C ATOM 552 O LEU A 35 -16.940 -0.972 -8.399 1.00 30.05 O ATOM 553 CB LEU A 35 -15.766 0.638 -5.418 1.00 74.13 C ATOM 554 CG LEU A 35 -14.494 1.138 -4.728 1.00 34.24 C ATOM 555 CD1 LEU A 35 -14.906 2.281 -3.795 1.00 64.41 C ATOM 556 CD2 LEU A 35 -13.814 0.021 -3.931 1.00 72.44 C ATOM 0 H LEU A 35 -15.064 0.770 -8.179 1.00 14.52 H new ATOM 0 HA LEU A 35 -15.194 -1.309 -6.059 1.00 54.30 H new ATOM 0 HB2 LEU A 35 -16.280 1.499 -5.844 1.00 74.13 H new ATOM 0 HB3 LEU A 35 -16.423 0.220 -4.655 1.00 74.13 H new ATOM 0 HG LEU A 35 -13.774 1.478 -5.473 1.00 34.24 H new ATOM 0 HD11 LEU A 35 -14.025 2.667 -3.282 1.00 64.41 H new ATOM 0 HD12 LEU A 35 -15.365 3.079 -4.378 1.00 64.41 H new ATOM 0 HD13 LEU A 35 -15.621 1.911 -3.060 1.00 64.41 H new ATOM 0 HD21 LEU A 35 -12.914 0.410 -3.454 1.00 72.44 H new ATOM 0 HD22 LEU A 35 -14.498 -0.350 -3.168 1.00 72.44 H new ATOM 0 HD23 LEU A 35 -13.545 -0.794 -4.603 1.00 72.44 H new ATOM 568 N LEU A 36 -18.001 -1.038 -6.398 1.00 33.44 N ATOM 569 CA LEU A 36 -19.322 -1.542 -6.813 1.00 45.34 C ATOM 570 C LEU A 36 -20.441 -0.605 -6.341 1.00 61.41 C ATOM 571 O LEU A 36 -20.542 -0.343 -5.139 1.00 22.34 O ATOM 572 CB LEU A 36 -19.599 -2.938 -6.240 1.00 65.31 C ATOM 573 CG LEU A 36 -18.680 -4.070 -6.737 1.00 71.03 C ATOM 574 CD1 LEU A 36 -19.267 -5.404 -6.292 1.00 71.22 C ATOM 575 CD2 LEU A 36 -18.537 -4.128 -8.260 1.00 51.54 C ATOM 0 H LEU A 36 -17.967 -0.859 -5.394 1.00 33.44 H new ATOM 0 HA LEU A 36 -19.307 -1.591 -7.902 1.00 45.34 H new ATOM 0 HB2 LEU A 36 -19.521 -2.885 -5.154 1.00 65.31 H new ATOM 0 HB3 LEU A 36 -20.630 -3.206 -6.473 1.00 65.31 H new ATOM 0 HG LEU A 36 -17.695 -3.872 -6.315 1.00 71.03 H new ATOM 0 HD11 LEU A 36 -18.627 -6.216 -6.637 1.00 71.22 H new ATOM 0 HD12 LEU A 36 -19.331 -5.429 -5.204 1.00 71.22 H new ATOM 0 HD13 LEU A 36 -20.264 -5.523 -6.716 1.00 71.22 H new ATOM 0 HD21 LEU A 36 -17.875 -4.950 -8.532 1.00 51.54 H new ATOM 0 HD22 LEU A 36 -19.516 -4.286 -8.712 1.00 51.54 H new ATOM 0 HD23 LEU A 36 -18.117 -3.189 -8.622 1.00 51.54 H new ATOM 587 N LYS A 37 -21.257 -0.084 -7.263 1.00 31.03 N ATOM 588 CA LYS A 37 -22.361 0.834 -6.970 1.00 33.31 C ATOM 589 C LYS A 37 -23.554 0.115 -6.337 1.00 2.12 C ATOM 590 O LYS A 37 -23.495 -1.052 -5.955 1.00 21.35 O ATOM 591 CB LYS A 37 -22.781 1.593 -8.244 1.00 2.32 C ATOM 592 CG LYS A 37 -21.618 2.291 -8.955 1.00 70.43 C ATOM 593 CD LYS A 37 -22.042 2.835 -10.312 1.00 41.23 C ATOM 594 CE LYS A 37 -22.736 4.191 -10.191 1.00 45.12 C ATOM 595 NZ LYS A 37 -23.174 4.647 -11.520 1.00 70.15 N ATOM 0 H LYS A 37 -21.166 -0.294 -8.257 1.00 31.03 H new ATOM 0 HA LYS A 37 -22.003 1.557 -6.237 1.00 33.31 H new ATOM 0 HB2 LYS A 37 -23.251 0.893 -8.935 1.00 2.32 H new ATOM 0 HB3 LYS A 37 -23.534 2.336 -7.982 1.00 2.32 H new ATOM 0 HG2 LYS A 37 -21.247 3.107 -8.334 1.00 70.43 H new ATOM 0 HG3 LYS A 37 -20.794 1.589 -9.084 1.00 70.43 H new ATOM 0 HD2 LYS A 37 -21.166 2.931 -10.954 1.00 41.23 H new ATOM 0 HD3 LYS A 37 -22.714 2.125 -10.794 1.00 41.23 H new ATOM 0 HE2 LYS A 37 -23.593 4.113 -9.522 1.00 45.12 H new ATOM 0 HE3 LYS A 37 -22.055 4.920 -9.752 1.00 45.12 H new ATOM 0 HZ1 LYS A 37 -23.646 5.570 -11.432 1.00 70.15 H new ATOM 0 HZ2 LYS A 37 -22.348 4.738 -12.145 1.00 70.15 H new ATOM 0 HZ3 LYS A 37 -23.838 3.956 -11.923 1.00 70.15 H new ATOM 609 N ASP A 38 -24.662 0.841 -6.226 1.00 73.13 N ATOM 610 CA ASP A 38 -25.962 0.397 -5.726 1.00 51.23 C ATOM 611 C ASP A 38 -26.709 -0.428 -6.785 1.00 14.23 C ATOM 612 O ASP A 38 -27.927 -0.350 -6.918 1.00 51.53 O ATOM 613 CB ASP A 38 -26.734 1.666 -5.314 1.00 4.31 C ATOM 614 CG ASP A 38 -27.860 1.440 -4.309 1.00 65.44 C ATOM 615 OD1 ASP A 38 -27.924 0.344 -3.705 1.00 44.34 O ATOM 616 OD2 ASP A 38 -28.551 2.450 -4.023 1.00 5.45 O ATOM 0 H ASP A 38 -24.678 1.823 -6.502 1.00 73.13 H new ATOM 0 HA ASP A 38 -25.852 -0.266 -4.868 1.00 51.23 H new ATOM 0 HB2 ASP A 38 -26.028 2.381 -4.891 1.00 4.31 H new ATOM 0 HB3 ASP A 38 -27.154 2.124 -6.210 1.00 4.31 H new ATOM 621 N ASP A 39 -25.961 -1.166 -7.607 1.00 72.10 N ATOM 622 CA ASP A 39 -26.423 -1.885 -8.787 1.00 10.31 C ATOM 623 C ASP A 39 -25.502 -3.096 -8.960 1.00 43.34 C ATOM 624 O ASP A 39 -24.940 -3.345 -10.026 1.00 50.20 O ATOM 625 CB ASP A 39 -26.440 -0.935 -9.982 1.00 5.53 C ATOM 626 CG ASP A 39 -26.890 -1.585 -11.290 1.00 54.12 C ATOM 627 OD1 ASP A 39 -27.730 -2.513 -11.260 1.00 32.13 O ATOM 628 OD2 ASP A 39 -26.470 -1.093 -12.361 1.00 54.10 O ATOM 0 H ASP A 39 -24.959 -1.282 -7.455 1.00 72.10 H new ATOM 0 HA ASP A 39 -27.445 -2.251 -8.690 1.00 10.31 H new ATOM 0 HB2 ASP A 39 -27.102 -0.098 -9.758 1.00 5.53 H new ATOM 0 HB3 ASP A 39 -25.440 -0.523 -10.119 1.00 5.53 H new ATOM 633 N GLY A 40 -25.257 -3.789 -7.846 1.00 21.25 N ATOM 634 CA GLY A 40 -24.452 -5.000 -7.704 1.00 43.23 C ATOM 635 C GLY A 40 -23.105 -4.978 -8.411 1.00 22.32 C ATOM 636 O GLY A 40 -22.143 -4.501 -7.818 1.00 54.54 O ATOM 0 H GLY A 40 -25.648 -3.493 -6.951 1.00 21.25 H new ATOM 0 HA2 GLY A 40 -24.283 -5.180 -6.642 1.00 43.23 H new ATOM 0 HA3 GLY A 40 -25.028 -5.844 -8.083 1.00 43.23 H new ATOM 640 N GLU A 41 -22.974 -5.578 -9.592 1.00 42.40 N ATOM 641 CA GLU A 41 -21.691 -5.822 -10.258 1.00 63.24 C ATOM 642 C GLU A 41 -21.327 -4.702 -11.230 1.00 12.14 C ATOM 643 O GLU A 41 -20.792 -4.902 -12.318 1.00 3.01 O ATOM 644 CB GLU A 41 -21.641 -7.210 -10.871 1.00 12.53 C ATOM 645 CG GLU A 41 -22.771 -7.574 -11.831 1.00 54.53 C ATOM 646 CD GLU A 41 -22.253 -8.342 -13.055 1.00 45.31 C ATOM 647 OE1 GLU A 41 -21.657 -9.434 -12.917 1.00 3.21 O ATOM 648 OE2 GLU A 41 -22.399 -7.812 -14.186 1.00 5.32 O ATOM 0 H GLU A 41 -23.774 -5.917 -10.127 1.00 42.40 H new ATOM 0 HA GLU A 41 -20.909 -5.803 -9.499 1.00 63.24 H new ATOM 0 HB2 GLU A 41 -20.695 -7.314 -11.403 1.00 12.53 H new ATOM 0 HB3 GLU A 41 -21.633 -7.940 -10.062 1.00 12.53 H new ATOM 0 HG2 GLU A 41 -23.511 -8.180 -11.308 1.00 54.53 H new ATOM 0 HG3 GLU A 41 -23.276 -6.666 -12.159 1.00 54.53 H new ATOM 655 N THR A 42 -21.674 -3.497 -10.822 1.00 41.42 N ATOM 656 CA THR A 42 -21.482 -2.279 -11.590 1.00 61.01 C ATOM 657 C THR A 42 -19.988 -1.977 -11.741 1.00 11.42 C ATOM 658 O THR A 42 -19.176 -2.362 -10.888 1.00 22.14 O ATOM 659 CB THR A 42 -22.225 -1.104 -10.913 1.00 72.42 C ATOM 660 OG1 THR A 42 -22.906 -1.489 -9.729 1.00 52.51 O ATOM 661 CG2 THR A 42 -23.242 -0.492 -11.870 1.00 11.25 C ATOM 0 H THR A 42 -22.112 -3.332 -9.916 1.00 41.42 H new ATOM 0 HA THR A 42 -21.899 -2.415 -12.588 1.00 61.01 H new ATOM 0 HB THR A 42 -21.457 -0.378 -10.647 1.00 72.42 H new ATOM 0 HG1 THR A 42 -23.612 -2.131 -9.952 1.00 52.51 H new ATOM 0 HG21 THR A 42 -23.755 0.333 -11.376 1.00 11.25 H new ATOM 0 HG22 THR A 42 -22.729 -0.122 -12.758 1.00 11.25 H new ATOM 0 HG23 THR A 42 -23.970 -1.250 -12.161 1.00 11.25 H new ATOM 669 N GLU A 43 -19.614 -1.171 -12.734 1.00 11.45 N ATOM 670 CA GLU A 43 -18.264 -0.645 -12.879 1.00 21.25 C ATOM 671 C GLU A 43 -18.213 0.837 -12.517 1.00 43.03 C ATOM 672 O GLU A 43 -19.035 1.647 -12.951 1.00 12.20 O ATOM 673 CB GLU A 43 -17.721 -0.949 -14.273 1.00 32.15 C ATOM 674 CG GLU A 43 -18.281 -0.105 -15.417 1.00 50.12 C ATOM 675 CD GLU A 43 -18.191 -0.857 -16.747 1.00 70.12 C ATOM 676 OE1 GLU A 43 -17.226 -1.636 -16.955 1.00 14.43 O ATOM 677 OE2 GLU A 43 -19.118 -0.719 -17.573 1.00 61.44 O ATOM 0 H GLU A 43 -20.251 -0.863 -13.468 1.00 11.45 H new ATOM 0 HA GLU A 43 -17.604 -1.148 -12.172 1.00 21.25 H new ATOM 0 HB2 GLU A 43 -16.638 -0.823 -14.253 1.00 32.15 H new ATOM 0 HB3 GLU A 43 -17.916 -1.998 -14.495 1.00 32.15 H new ATOM 0 HG2 GLU A 43 -19.320 0.152 -15.210 1.00 50.12 H new ATOM 0 HG3 GLU A 43 -17.729 0.832 -15.487 1.00 50.12 H new ATOM 684 N GLN A 44 -17.231 1.195 -11.695 1.00 71.55 N ATOM 685 CA GLN A 44 -16.986 2.537 -11.226 1.00 10.43 C ATOM 686 C GLN A 44 -15.556 2.576 -10.712 1.00 71.14 C ATOM 687 O GLN A 44 -15.108 1.637 -10.056 1.00 23.51 O ATOM 688 CB GLN A 44 -17.939 2.851 -10.063 1.00 61.43 C ATOM 689 CG GLN A 44 -17.842 4.317 -9.643 1.00 52.24 C ATOM 690 CD GLN A 44 -18.117 4.554 -8.192 1.00 63.43 C ATOM 691 OE1 GLN A 44 -19.026 5.300 -7.862 1.00 70.03 O ATOM 692 NE2 GLN A 44 -17.271 3.991 -7.338 1.00 54.51 N ATOM 0 H GLN A 44 -16.560 0.521 -11.327 1.00 71.55 H new ATOM 0 HA GLN A 44 -17.142 3.263 -12.024 1.00 10.43 H new ATOM 0 HB2 GLN A 44 -18.963 2.622 -10.358 1.00 61.43 H new ATOM 0 HB3 GLN A 44 -17.702 2.211 -9.213 1.00 61.43 H new ATOM 0 HG2 GLN A 44 -16.844 4.686 -9.878 1.00 52.24 H new ATOM 0 HG3 GLN A 44 -18.546 4.901 -10.236 1.00 52.24 H new ATOM 0 HE21 GLN A 44 -16.533 3.377 -7.682 1.00 54.51 H new ATOM 0 HE22 GLN A 44 -17.359 4.173 -6.338 1.00 54.51 H new ATOM 701 N THR A 45 -14.891 3.704 -10.916 1.00 11.42 N ATOM 702 CA THR A 45 -13.597 4.047 -10.360 1.00 43.24 C ATOM 703 C THR A 45 -13.709 5.382 -9.611 1.00 51.41 C ATOM 704 O THR A 45 -14.667 6.130 -9.823 1.00 62.34 O ATOM 705 CB THR A 45 -12.578 4.067 -11.510 1.00 43.22 C ATOM 706 OG1 THR A 45 -13.149 4.513 -12.731 1.00 4.24 O ATOM 707 CG2 THR A 45 -12.046 2.655 -11.745 1.00 1.22 C ATOM 0 H THR A 45 -15.265 4.445 -11.509 1.00 11.42 H new ATOM 0 HA THR A 45 -13.254 3.314 -9.630 1.00 43.24 H new ATOM 0 HB THR A 45 -11.786 4.756 -11.217 1.00 43.22 H new ATOM 0 HG1 THR A 45 -12.464 4.511 -13.432 1.00 4.24 H new ATOM 0 HG21 THR A 45 -11.323 2.670 -12.561 1.00 1.22 H new ATOM 0 HG22 THR A 45 -11.562 2.293 -10.838 1.00 1.22 H new ATOM 0 HG23 THR A 45 -12.872 1.993 -12.004 1.00 1.22 H new ATOM 715 N PHE A 46 -12.762 5.686 -8.723 1.00 74.33 N ATOM 716 CA PHE A 46 -12.686 6.919 -7.936 1.00 65.42 C ATOM 717 C PHE A 46 -11.302 7.551 -8.133 1.00 23.31 C ATOM 718 O PHE A 46 -10.388 6.880 -8.624 1.00 61.55 O ATOM 719 CB PHE A 46 -12.984 6.606 -6.450 1.00 23.21 C ATOM 720 CG PHE A 46 -14.299 7.187 -5.961 1.00 23.40 C ATOM 721 CD1 PHE A 46 -15.515 6.701 -6.467 1.00 63.25 C ATOM 722 CD2 PHE A 46 -14.317 8.237 -5.026 1.00 64.12 C ATOM 723 CE1 PHE A 46 -16.733 7.280 -6.070 1.00 33.21 C ATOM 724 CE2 PHE A 46 -15.529 8.857 -4.677 1.00 43.23 C ATOM 725 CZ PHE A 46 -16.742 8.369 -5.186 1.00 42.42 C ATOM 0 H PHE A 46 -11.990 5.050 -8.523 1.00 74.33 H new ATOM 0 HA PHE A 46 -13.434 7.638 -8.271 1.00 65.42 H new ATOM 0 HB2 PHE A 46 -12.999 5.525 -6.310 1.00 23.21 H new ATOM 0 HB3 PHE A 46 -12.173 6.995 -5.835 1.00 23.21 H new ATOM 0 HD1 PHE A 46 -15.515 5.877 -7.166 1.00 63.25 H new ATOM 0 HD2 PHE A 46 -13.394 8.569 -4.573 1.00 64.12 H new ATOM 0 HE1 PHE A 46 -17.665 6.885 -6.447 1.00 33.21 H new ATOM 0 HE2 PHE A 46 -15.527 9.711 -4.016 1.00 43.23 H new ATOM 0 HZ PHE A 46 -17.676 8.829 -4.899 1.00 42.42 H new ATOM 735 N PRO A 47 -11.117 8.825 -7.756 1.00 12.10 N ATOM 736 CA PRO A 47 -9.816 9.482 -7.741 1.00 74.32 C ATOM 737 C PRO A 47 -8.959 9.035 -6.547 1.00 12.02 C ATOM 738 O PRO A 47 -9.479 8.547 -5.539 1.00 62.41 O ATOM 739 CB PRO A 47 -10.135 10.978 -7.692 1.00 32.21 C ATOM 740 CG PRO A 47 -11.483 11.040 -6.976 1.00 45.55 C ATOM 741 CD PRO A 47 -12.173 9.770 -7.434 1.00 24.13 C ATOM 0 HA PRO A 47 -9.221 9.224 -8.617 1.00 74.32 H new ATOM 0 HB2 PRO A 47 -9.369 11.533 -7.151 1.00 32.21 H new ATOM 0 HB3 PRO A 47 -10.193 11.408 -8.692 1.00 32.21 H new ATOM 0 HG2 PRO A 47 -11.364 11.066 -5.893 1.00 45.55 H new ATOM 0 HG3 PRO A 47 -12.048 11.929 -7.256 1.00 45.55 H new ATOM 0 HD2 PRO A 47 -12.822 9.376 -6.652 1.00 24.13 H new ATOM 0 HD3 PRO A 47 -12.802 9.961 -8.303 1.00 24.13 H new ATOM 749 N PHE A 48 -7.638 9.167 -6.659 1.00 25.44 N ATOM 750 CA PHE A 48 -6.644 8.803 -5.652 1.00 65.23 C ATOM 751 C PHE A 48 -5.807 10.033 -5.301 1.00 45.05 C ATOM 752 O PHE A 48 -5.391 10.758 -6.200 1.00 41.14 O ATOM 753 CB PHE A 48 -5.727 7.687 -6.197 1.00 64.22 C ATOM 754 CG PHE A 48 -5.534 7.654 -7.712 1.00 4.23 C ATOM 755 CD1 PHE A 48 -4.826 8.658 -8.382 1.00 33.32 C ATOM 756 CD2 PHE A 48 -6.119 6.639 -8.470 1.00 63.24 C ATOM 757 CE1 PHE A 48 -4.708 8.665 -9.784 1.00 41.24 C ATOM 758 CE2 PHE A 48 -6.008 6.641 -9.877 1.00 71.52 C ATOM 759 CZ PHE A 48 -5.293 7.644 -10.539 1.00 1.41 C ATOM 0 H PHE A 48 -7.210 9.552 -7.501 1.00 25.44 H new ATOM 0 HA PHE A 48 -7.151 8.439 -4.758 1.00 65.23 H new ATOM 0 HB2 PHE A 48 -4.748 7.789 -5.729 1.00 64.22 H new ATOM 0 HB3 PHE A 48 -6.133 6.726 -5.882 1.00 64.22 H new ATOM 0 HD1 PHE A 48 -4.359 9.446 -7.810 1.00 33.32 H new ATOM 0 HD2 PHE A 48 -6.661 5.846 -7.976 1.00 63.24 H new ATOM 0 HE1 PHE A 48 -4.166 9.459 -10.277 1.00 41.24 H new ATOM 0 HE2 PHE A 48 -6.482 5.858 -10.450 1.00 71.52 H new ATOM 0 HZ PHE A 48 -5.194 7.630 -11.614 1.00 1.41 H new ATOM 769 N THR A 49 -5.477 10.252 -4.027 1.00 34.44 N ATOM 770 CA THR A 49 -4.502 11.263 -3.622 1.00 21.30 C ATOM 771 C THR A 49 -3.821 10.844 -2.309 1.00 65.43 C ATOM 772 O THR A 49 -4.168 9.821 -1.714 1.00 50.33 O ATOM 773 CB THR A 49 -5.152 12.663 -3.510 1.00 72.43 C ATOM 774 OG1 THR A 49 -6.294 12.664 -2.667 1.00 50.53 O ATOM 775 CG2 THR A 49 -5.508 13.310 -4.856 1.00 51.42 C ATOM 0 H THR A 49 -5.879 9.732 -3.247 1.00 34.44 H new ATOM 0 HA THR A 49 -3.736 11.334 -4.394 1.00 21.30 H new ATOM 0 HB THR A 49 -4.370 13.275 -3.060 1.00 72.43 H new ATOM 0 HG1 THR A 49 -6.669 13.568 -2.625 1.00 50.53 H new ATOM 0 HG21 THR A 49 -5.958 14.287 -4.682 1.00 51.42 H new ATOM 0 HG22 THR A 49 -4.604 13.428 -5.453 1.00 51.42 H new ATOM 0 HG23 THR A 49 -6.215 12.675 -5.389 1.00 51.42 H new ATOM 783 N ARG A 50 -2.876 11.668 -1.835 1.00 10.53 N ATOM 784 CA ARG A 50 -2.200 11.578 -0.533 1.00 53.34 C ATOM 785 C ARG A 50 -3.186 11.342 0.615 1.00 2.44 C ATOM 786 O ARG A 50 -2.899 10.572 1.525 1.00 33.34 O ATOM 787 CB ARG A 50 -1.370 12.870 -0.371 1.00 52.12 C ATOM 788 CG ARG A 50 -0.735 13.121 1.008 1.00 70.25 C ATOM 789 CD ARG A 50 0.281 14.277 0.912 1.00 42.45 C ATOM 790 NE ARG A 50 0.237 15.185 2.073 1.00 25.30 N ATOM 791 CZ ARG A 50 1.111 16.163 2.348 1.00 23.44 C ATOM 792 NH1 ARG A 50 2.247 16.280 1.669 1.00 1.51 N ATOM 793 NH2 ARG A 50 0.853 17.024 3.322 1.00 41.11 N ATOM 0 H ARG A 50 -2.543 12.462 -2.382 1.00 10.53 H new ATOM 0 HA ARG A 50 -1.540 10.711 -0.496 1.00 53.34 H new ATOM 0 HB2 ARG A 50 -0.573 12.857 -1.114 1.00 52.12 H new ATOM 0 HB3 ARG A 50 -2.013 13.718 -0.608 1.00 52.12 H new ATOM 0 HG2 ARG A 50 -1.509 13.364 1.736 1.00 70.25 H new ATOM 0 HG3 ARG A 50 -0.239 12.217 1.360 1.00 70.25 H new ATOM 0 HD2 ARG A 50 1.285 13.863 0.820 1.00 42.45 H new ATOM 0 HD3 ARG A 50 0.087 14.848 0.004 1.00 42.45 H new ATOM 0 HE ARG A 50 -0.533 15.056 2.730 1.00 25.30 H new ATOM 0 HH11 ARG A 50 2.466 15.619 0.924 1.00 1.51 H new ATOM 0 HH12 ARG A 50 2.900 17.031 1.893 1.00 1.51 H new ATOM 0 HH21 ARG A 50 -0.009 16.941 3.861 1.00 41.11 H new ATOM 0 HH22 ARG A 50 1.517 17.769 3.533 1.00 41.11 H new ATOM 807 N GLU A 51 -4.361 11.956 0.531 1.00 44.31 N ATOM 808 CA GLU A 51 -5.434 12.003 1.518 1.00 1.51 C ATOM 809 C GLU A 51 -6.323 10.746 1.490 1.00 52.53 C ATOM 810 O GLU A 51 -7.486 10.801 1.876 1.00 54.11 O ATOM 811 CB GLU A 51 -6.215 13.291 1.205 1.00 21.20 C ATOM 812 CG GLU A 51 -7.007 13.852 2.390 1.00 51.21 C ATOM 813 CD GLU A 51 -6.803 15.373 2.468 1.00 5.41 C ATOM 814 OE1 GLU A 51 -5.751 15.861 2.960 1.00 10.54 O ATOM 815 OE2 GLU A 51 -7.663 16.132 1.974 1.00 14.24 O ATOM 0 H GLU A 51 -4.609 12.482 -0.307 1.00 44.31 H new ATOM 0 HA GLU A 51 -5.039 12.016 2.534 1.00 1.51 H new ATOM 0 HB2 GLU A 51 -5.515 14.051 0.858 1.00 21.20 H new ATOM 0 HB3 GLU A 51 -6.904 13.094 0.384 1.00 21.20 H new ATOM 0 HG2 GLU A 51 -8.066 13.622 2.275 1.00 51.21 H new ATOM 0 HG3 GLU A 51 -6.677 13.382 3.317 1.00 51.21 H new ATOM 822 N LYS A 52 -5.819 9.623 0.974 1.00 61.34 N ATOM 823 CA LYS A 52 -6.513 8.332 0.874 1.00 1.32 C ATOM 824 C LYS A 52 -5.552 7.209 1.257 1.00 62.34 C ATOM 825 O LYS A 52 -5.647 6.103 0.727 1.00 32.13 O ATOM 826 CB LYS A 52 -7.039 8.124 -0.548 1.00 44.14 C ATOM 827 CG LYS A 52 -7.894 9.286 -1.054 1.00 52.23 C ATOM 828 CD LYS A 52 -8.548 8.916 -2.389 1.00 43.43 C ATOM 829 CE LYS A 52 -9.998 8.442 -2.321 1.00 3.10 C ATOM 830 NZ LYS A 52 -10.233 7.309 -1.395 1.00 64.42 N ATOM 0 H LYS A 52 -4.872 9.584 0.596 1.00 61.34 H new ATOM 0 HA LYS A 52 -7.362 8.324 1.558 1.00 1.32 H new ATOM 0 HB2 LYS A 52 -6.195 7.983 -1.223 1.00 44.14 H new ATOM 0 HB3 LYS A 52 -7.629 7.208 -0.579 1.00 44.14 H new ATOM 0 HG2 LYS A 52 -8.661 9.530 -0.319 1.00 52.23 H new ATOM 0 HG3 LYS A 52 -7.276 10.176 -1.177 1.00 52.23 H new ATOM 0 HD2 LYS A 52 -8.502 9.785 -3.045 1.00 43.43 H new ATOM 0 HD3 LYS A 52 -7.953 8.132 -2.856 1.00 43.43 H new ATOM 0 HE2 LYS A 52 -10.626 9.279 -2.017 1.00 3.10 H new ATOM 0 HE3 LYS A 52 -10.318 8.150 -3.321 1.00 3.10 H new ATOM 0 HZ1 LYS A 52 -11.163 6.888 -1.591 1.00 64.42 H new ATOM 0 HZ2 LYS A 52 -9.493 6.591 -1.530 1.00 64.42 H new ATOM 0 HZ3 LYS A 52 -10.208 7.652 -0.413 1.00 64.42 H new ATOM 844 N TRP A 53 -4.544 7.530 2.061 1.00 1.44 N ATOM 845 CA TRP A 53 -3.431 6.642 2.365 1.00 51.45 C ATOM 846 C TRP A 53 -3.491 6.166 3.813 1.00 5.24 C ATOM 847 O TRP A 53 -3.525 7.006 4.714 1.00 63.43 O ATOM 848 CB TRP A 53 -2.122 7.383 2.098 1.00 42.54 C ATOM 849 CG TRP A 53 -0.901 6.583 2.416 1.00 70.34 C ATOM 850 CD1 TRP A 53 -0.372 6.435 3.651 1.00 21.11 C ATOM 851 CD2 TRP A 53 -0.090 5.761 1.524 1.00 14.43 C ATOM 852 NE1 TRP A 53 0.675 5.534 3.589 1.00 1.10 N ATOM 853 CE2 TRP A 53 0.911 5.112 2.302 1.00 24.44 C ATOM 854 CE3 TRP A 53 -0.105 5.491 0.141 1.00 44.14 C ATOM 855 CZ2 TRP A 53 1.855 4.239 1.747 1.00 71.04 C ATOM 856 CZ3 TRP A 53 0.866 4.656 -0.441 1.00 11.50 C ATOM 857 CH2 TRP A 53 1.853 4.048 0.354 1.00 11.51 C ATOM 0 H TRP A 53 -4.478 8.434 2.529 1.00 1.44 H new ATOM 0 HA TRP A 53 -3.491 5.760 1.728 1.00 51.45 H new ATOM 0 HB2 TRP A 53 -2.089 7.677 1.049 1.00 42.54 H new ATOM 0 HB3 TRP A 53 -2.108 8.300 2.687 1.00 42.54 H new ATOM 0 HD1 TRP A 53 -0.712 6.940 4.543 1.00 21.11 H new ATOM 0 HE1 TRP A 53 1.208 5.220 4.400 1.00 1.10 H new ATOM 0 HE3 TRP A 53 -0.872 5.931 -0.480 1.00 44.14 H new ATOM 0 HZ2 TRP A 53 2.568 3.725 2.374 1.00 71.04 H new ATOM 0 HZ3 TRP A 53 0.853 4.481 -1.507 1.00 11.50 H new ATOM 0 HH2 TRP A 53 2.612 3.433 -0.106 1.00 11.51 H new ATOM 868 N ALA A 54 -3.444 4.850 4.022 1.00 72.25 N ATOM 869 CA ALA A 54 -3.229 4.187 5.304 1.00 13.33 C ATOM 870 C ALA A 54 -1.732 3.977 5.547 1.00 54.12 C ATOM 871 O ALA A 54 -1.057 3.420 4.679 1.00 41.34 O ATOM 872 CB ALA A 54 -3.933 2.826 5.244 1.00 33.12 C ATOM 0 H ALA A 54 -3.562 4.184 3.259 1.00 72.25 H new ATOM 0 HA ALA A 54 -3.626 4.797 6.116 1.00 13.33 H new ATOM 0 HB1 ALA A 54 -3.792 2.302 6.189 1.00 33.12 H new ATOM 0 HB2 ALA A 54 -4.998 2.975 5.067 1.00 33.12 H new ATOM 0 HB3 ALA A 54 -3.510 2.233 4.433 1.00 33.12 H new ATOM 878 N LEU A 55 -1.214 4.437 6.688 1.00 54.13 N ATOM 879 CA LEU A 55 0.154 4.236 7.162 1.00 11.13 C ATOM 880 C LEU A 55 0.353 2.774 7.567 1.00 72.11 C ATOM 881 O LEU A 55 -0.612 2.111 7.945 1.00 70.11 O ATOM 882 CB LEU A 55 0.473 5.176 8.343 1.00 12.14 C ATOM 883 CG LEU A 55 0.632 6.660 7.946 1.00 54.44 C ATOM 884 CD1 LEU A 55 0.741 7.574 9.166 1.00 30.04 C ATOM 885 CD2 LEU A 55 1.869 6.893 7.063 1.00 3.14 C ATOM 0 H LEU A 55 -1.770 4.990 7.341 1.00 54.13 H new ATOM 0 HA LEU A 55 0.842 4.476 6.351 1.00 11.13 H new ATOM 0 HB2 LEU A 55 -0.322 5.093 9.084 1.00 12.14 H new ATOM 0 HB3 LEU A 55 1.392 4.839 8.823 1.00 12.14 H new ATOM 0 HG LEU A 55 -0.269 6.906 7.385 1.00 54.44 H new ATOM 0 HD11 LEU A 55 0.851 8.607 8.838 1.00 30.04 H new ATOM 0 HD12 LEU A 55 -0.160 7.480 9.773 1.00 30.04 H new ATOM 0 HD13 LEU A 55 1.609 7.287 9.759 1.00 30.04 H new ATOM 0 HD21 LEU A 55 1.940 7.950 6.808 1.00 3.14 H new ATOM 0 HD22 LEU A 55 2.765 6.589 7.604 1.00 3.14 H new ATOM 0 HD23 LEU A 55 1.780 6.305 6.149 1.00 3.14 H new ATOM 897 N LEU A 56 1.588 2.267 7.446 1.00 52.34 N ATOM 898 CA LEU A 56 1.885 0.829 7.430 1.00 1.12 C ATOM 899 C LEU A 56 3.178 0.521 8.186 1.00 64.22 C ATOM 900 O LEU A 56 4.120 1.323 8.131 1.00 11.34 O ATOM 901 CB LEU A 56 2.059 0.346 5.978 1.00 52.33 C ATOM 902 CG LEU A 56 0.935 0.724 4.994 1.00 73.34 C ATOM 903 CD1 LEU A 56 1.313 0.222 3.609 1.00 65.32 C ATOM 904 CD2 LEU A 56 -0.443 0.135 5.317 1.00 73.13 C ATOM 0 H LEU A 56 2.419 2.852 7.355 1.00 52.34 H new ATOM 0 HA LEU A 56 1.052 0.318 7.912 1.00 1.12 H new ATOM 0 HB2 LEU A 56 2.998 0.745 5.595 1.00 52.33 H new ATOM 0 HB3 LEU A 56 2.155 -0.740 5.988 1.00 52.33 H new ATOM 0 HG LEU A 56 0.846 1.808 5.063 1.00 73.34 H new ATOM 0 HD11 LEU A 56 0.527 0.482 2.901 1.00 65.32 H new ATOM 0 HD12 LEU A 56 2.250 0.684 3.297 1.00 65.32 H new ATOM 0 HD13 LEU A 56 1.434 -0.861 3.635 1.00 65.32 H new ATOM 0 HD21 LEU A 56 -1.163 0.460 4.566 1.00 73.13 H new ATOM 0 HD22 LEU A 56 -0.383 -0.953 5.315 1.00 73.13 H new ATOM 0 HD23 LEU A 56 -0.764 0.479 6.300 1.00 73.13 H new ATOM 916 N ASP A 57 3.244 -0.662 8.808 1.00 2.21 N ATOM 917 CA ASP A 57 4.302 -1.096 9.726 1.00 50.12 C ATOM 918 C ASP A 57 5.353 -1.923 8.991 1.00 54.35 C ATOM 919 O ASP A 57 5.205 -2.277 7.819 1.00 1.34 O ATOM 920 CB ASP A 57 3.706 -1.953 10.861 1.00 4.23 C ATOM 921 CG ASP A 57 3.207 -1.134 12.045 1.00 25.12 C ATOM 922 OD1 ASP A 57 2.151 -0.491 11.923 1.00 54.21 O ATOM 923 OD2 ASP A 57 3.867 -1.192 13.110 1.00 70.15 O ATOM 0 H ASP A 57 2.527 -1.376 8.678 1.00 2.21 H new ATOM 0 HA ASP A 57 4.769 -0.203 10.140 1.00 50.12 H new ATOM 0 HB2 ASP A 57 2.880 -2.543 10.464 1.00 4.23 H new ATOM 0 HB3 ASP A 57 4.462 -2.657 11.209 1.00 4.23 H new ATOM 928 N GLU A 58 6.424 -2.297 9.694 1.00 22.34 N ATOM 929 CA GLU A 58 7.447 -3.160 9.107 1.00 54.23 C ATOM 930 C GLU A 58 6.921 -4.550 8.793 1.00 10.53 C ATOM 931 O GLU A 58 7.291 -5.124 7.780 1.00 14.24 O ATOM 932 CB GLU A 58 8.736 -3.192 9.910 1.00 51.31 C ATOM 933 CG GLU A 58 8.588 -3.757 11.311 1.00 32.33 C ATOM 934 CD GLU A 58 9.953 -3.828 11.987 1.00 24.31 C ATOM 935 OE1 GLU A 58 10.517 -2.751 12.295 1.00 63.45 O ATOM 936 OE2 GLU A 58 10.507 -4.949 12.087 1.00 45.32 O ATOM 0 H GLU A 58 6.603 -2.019 10.659 1.00 22.34 H new ATOM 0 HA GLU A 58 7.708 -2.704 8.152 1.00 54.23 H new ATOM 0 HB2 GLU A 58 9.473 -3.785 9.368 1.00 51.31 H new ATOM 0 HB3 GLU A 58 9.132 -2.179 9.980 1.00 51.31 H new ATOM 0 HG2 GLU A 58 7.915 -3.131 11.896 1.00 32.33 H new ATOM 0 HG3 GLU A 58 8.142 -4.751 11.267 1.00 32.33 H new ATOM 943 N GLU A 59 6.030 -5.062 9.629 1.00 21.03 N ATOM 944 CA GLU A 59 5.331 -6.326 9.414 1.00 11.11 C ATOM 945 C GLU A 59 4.493 -6.318 8.145 1.00 45.10 C ATOM 946 O GLU A 59 4.378 -7.341 7.468 1.00 63.30 O ATOM 947 CB GLU A 59 4.396 -6.595 10.587 1.00 42.51 C ATOM 948 CG GLU A 59 5.212 -7.092 11.764 1.00 10.31 C ATOM 949 CD GLU A 59 4.323 -7.306 12.976 1.00 22.21 C ATOM 950 OE1 GLU A 59 3.508 -8.264 12.961 1.00 34.04 O ATOM 951 OE2 GLU A 59 4.514 -6.585 13.973 1.00 25.21 O ATOM 0 H GLU A 59 5.764 -4.600 10.499 1.00 21.03 H new ATOM 0 HA GLU A 59 6.094 -7.099 9.322 1.00 11.11 H new ATOM 0 HB2 GLU A 59 3.860 -5.685 10.858 1.00 42.51 H new ATOM 0 HB3 GLU A 59 3.646 -7.336 10.309 1.00 42.51 H new ATOM 0 HG2 GLU A 59 5.709 -8.026 11.501 1.00 10.31 H new ATOM 0 HG3 GLU A 59 5.994 -6.371 12.002 1.00 10.31 H new ATOM 958 N THR A 60 3.890 -5.176 7.836 1.00 31.11 N ATOM 959 CA THR A 60 3.143 -4.991 6.615 1.00 54.44 C ATOM 960 C THR A 60 4.095 -5.071 5.412 1.00 63.21 C ATOM 961 O THR A 60 3.731 -5.599 4.362 1.00 23.42 O ATOM 962 CB THR A 60 2.429 -3.636 6.727 1.00 71.11 C ATOM 963 OG1 THR A 60 1.739 -3.493 7.958 1.00 1.14 O ATOM 964 CG2 THR A 60 1.467 -3.452 5.571 1.00 12.24 C ATOM 0 H THR A 60 3.911 -4.351 8.436 1.00 31.11 H new ATOM 0 HA THR A 60 2.396 -5.771 6.464 1.00 54.44 H new ATOM 0 HB THR A 60 3.197 -2.864 6.690 1.00 71.11 H new ATOM 0 HG1 THR A 60 1.174 -2.693 7.925 1.00 1.14 H new ATOM 0 HG21 THR A 60 0.968 -2.487 5.663 1.00 12.24 H new ATOM 0 HG22 THR A 60 2.017 -3.488 4.631 1.00 12.24 H new ATOM 0 HG23 THR A 60 0.723 -4.248 5.586 1.00 12.24 H new ATOM 972 N LEU A 61 5.330 -4.590 5.578 1.00 22.42 N ATOM 973 CA LEU A 61 6.399 -4.612 4.583 1.00 31.12 C ATOM 974 C LEU A 61 7.458 -5.672 4.908 1.00 62.00 C ATOM 975 O LEU A 61 8.665 -5.408 4.841 1.00 70.12 O ATOM 976 CB LEU A 61 7.018 -3.202 4.467 1.00 32.02 C ATOM 977 CG LEU A 61 6.273 -2.132 3.658 1.00 5.42 C ATOM 978 CD1 LEU A 61 6.001 -2.632 2.239 1.00 54.44 C ATOM 979 CD2 LEU A 61 4.984 -1.628 4.313 1.00 41.43 C ATOM 0 H LEU A 61 5.623 -4.154 6.453 1.00 22.42 H new ATOM 0 HA LEU A 61 5.975 -4.891 3.618 1.00 31.12 H new ATOM 0 HB2 LEU A 61 7.153 -2.817 5.478 1.00 32.02 H new ATOM 0 HB3 LEU A 61 8.011 -3.312 4.032 1.00 32.02 H new ATOM 0 HG LEU A 61 6.937 -1.268 3.625 1.00 5.42 H new ATOM 0 HD11 LEU A 61 5.472 -1.862 1.677 1.00 54.44 H new ATOM 0 HD12 LEU A 61 6.946 -2.857 1.745 1.00 54.44 H new ATOM 0 HD13 LEU A 61 5.391 -3.534 2.282 1.00 54.44 H new ATOM 0 HD21 LEU A 61 4.522 -0.875 3.675 1.00 41.43 H new ATOM 0 HD22 LEU A 61 4.295 -2.461 4.448 1.00 41.43 H new ATOM 0 HD23 LEU A 61 5.217 -1.188 5.283 1.00 41.43 H new ATOM 991 N LYS A 62 7.036 -6.891 5.244 1.00 32.13 N ATOM 992 CA LYS A 62 7.950 -7.992 5.510 1.00 51.11 C ATOM 993 C LYS A 62 7.908 -8.994 4.366 1.00 64.11 C ATOM 994 O LYS A 62 6.941 -9.056 3.607 1.00 3.12 O ATOM 995 CB LYS A 62 7.615 -8.605 6.875 1.00 71.33 C ATOM 996 CG LYS A 62 8.688 -8.247 7.919 1.00 62.24 C ATOM 997 CD LYS A 62 8.572 -8.971 9.270 1.00 41.31 C ATOM 998 CE LYS A 62 9.326 -8.152 10.339 1.00 51.31 C ATOM 999 NZ LYS A 62 10.063 -8.966 11.330 1.00 33.05 N ATOM 0 H LYS A 62 6.051 -7.139 5.338 1.00 32.13 H new ATOM 0 HA LYS A 62 8.979 -7.637 5.562 1.00 51.11 H new ATOM 0 HB2 LYS A 62 6.642 -8.245 7.210 1.00 71.33 H new ATOM 0 HB3 LYS A 62 7.540 -9.688 6.782 1.00 71.33 H new ATOM 0 HG2 LYS A 62 9.668 -8.464 7.494 1.00 62.24 H new ATOM 0 HG3 LYS A 62 8.649 -7.173 8.099 1.00 62.24 H new ATOM 0 HD2 LYS A 62 7.524 -9.083 9.550 1.00 41.31 H new ATOM 0 HD3 LYS A 62 8.992 -9.974 9.198 1.00 41.31 H new ATOM 0 HE2 LYS A 62 10.030 -7.487 9.839 1.00 51.31 H new ATOM 0 HE3 LYS A 62 8.611 -7.521 10.866 1.00 51.31 H new ATOM 0 HZ1 LYS A 62 10.539 -8.339 12.009 1.00 33.05 H new ATOM 0 HZ2 LYS A 62 9.397 -9.583 11.837 1.00 33.05 H new ATOM 0 HZ3 LYS A 62 10.772 -9.550 10.842 1.00 33.05 H new ATOM 1013 N GLU A 63 8.968 -9.792 4.269 1.00 53.53 N ATOM 1014 CA GLU A 63 9.197 -10.758 3.207 1.00 64.54 C ATOM 1015 C GLU A 63 9.225 -12.144 3.851 1.00 25.14 C ATOM 1016 O GLU A 63 10.192 -12.492 4.544 1.00 51.50 O ATOM 1017 CB GLU A 63 10.510 -10.483 2.462 1.00 34.42 C ATOM 1018 CG GLU A 63 10.661 -9.061 1.912 1.00 54.24 C ATOM 1019 CD GLU A 63 12.126 -8.802 1.540 1.00 32.33 C ATOM 1020 OE1 GLU A 63 13.020 -8.936 2.411 1.00 44.44 O ATOM 1021 OE2 GLU A 63 12.438 -8.531 0.358 1.00 13.22 O ATOM 0 H GLU A 63 9.720 -9.780 4.958 1.00 53.53 H new ATOM 0 HA GLU A 63 8.400 -10.688 2.466 1.00 64.54 H new ATOM 0 HB2 GLU A 63 11.342 -10.685 3.137 1.00 34.42 H new ATOM 0 HB3 GLU A 63 10.594 -11.187 1.634 1.00 34.42 H new ATOM 0 HG2 GLU A 63 10.025 -8.930 1.036 1.00 54.24 H new ATOM 0 HG3 GLU A 63 10.331 -8.336 2.656 1.00 54.24 H new ATOM 1028 N GLY A 64 8.175 -12.935 3.656 1.00 12.14 N ATOM 1029 CA GLY A 64 8.026 -14.251 4.261 1.00 43.32 C ATOM 1030 C GLY A 64 6.699 -14.913 3.888 1.00 65.14 C ATOM 1031 O GLY A 64 6.094 -14.591 2.863 1.00 43.22 O ATOM 0 H GLY A 64 7.389 -12.673 3.061 1.00 12.14 H new ATOM 0 HA2 GLY A 64 8.850 -14.890 3.944 1.00 43.32 H new ATOM 0 HA3 GLY A 64 8.092 -14.160 5.345 1.00 43.32 H new ATOM 1035 N ARG A 65 6.269 -15.903 4.673 1.00 53.41 N ATOM 1036 CA ARG A 65 4.939 -16.509 4.594 1.00 1.34 C ATOM 1037 C ARG A 65 4.450 -16.659 6.027 1.00 45.32 C ATOM 1038 O ARG A 65 5.192 -17.147 6.882 1.00 12.34 O ATOM 1039 CB ARG A 65 4.926 -17.853 3.833 1.00 25.11 C ATOM 1040 CG ARG A 65 5.755 -18.963 4.497 1.00 32.43 C ATOM 1041 CD ARG A 65 5.606 -20.343 3.842 1.00 44.33 C ATOM 1042 NE ARG A 65 5.540 -21.451 4.825 1.00 54.11 N ATOM 1043 CZ ARG A 65 6.239 -21.645 5.954 1.00 20.33 C ATOM 1044 NH1 ARG A 65 7.262 -20.862 6.292 1.00 75.03 N ATOM 1045 NH2 ARG A 65 5.912 -22.635 6.770 1.00 22.42 N ATOM 0 H ARG A 65 6.852 -16.316 5.401 1.00 53.41 H new ATOM 0 HA ARG A 65 4.272 -15.870 4.015 1.00 1.34 H new ATOM 0 HB2 ARG A 65 3.895 -18.193 3.738 1.00 25.11 H new ATOM 0 HB3 ARG A 65 5.302 -17.689 2.823 1.00 25.11 H new ATOM 0 HG2 ARG A 65 6.806 -18.676 4.477 1.00 32.43 H new ATOM 0 HG3 ARG A 65 5.465 -19.038 5.545 1.00 32.43 H new ATOM 0 HD2 ARG A 65 4.703 -20.353 3.232 1.00 44.33 H new ATOM 0 HD3 ARG A 65 6.447 -20.512 3.170 1.00 44.33 H new ATOM 0 HE ARG A 65 4.858 -22.178 4.610 1.00 54.11 H new ATOM 0 HH11 ARG A 65 7.534 -20.088 5.686 1.00 75.03 H new ATOM 0 HH12 ARG A 65 7.773 -21.036 7.157 1.00 75.03 H new ATOM 0 HH21 ARG A 65 5.130 -23.248 6.540 1.00 22.42 H new ATOM 0 HH22 ARG A 65 6.442 -22.784 7.629 1.00 22.42 H new ATOM 1059 N THR A 66 3.204 -16.314 6.275 1.00 12.41 N ATOM 1060 CA THR A 66 2.532 -16.453 7.555 1.00 74.43 C ATOM 1061 C THR A 66 1.518 -17.595 7.409 1.00 71.31 C ATOM 1062 O THR A 66 1.313 -18.122 6.309 1.00 22.02 O ATOM 1063 CB THR A 66 1.970 -15.062 7.910 1.00 45.40 C ATOM 1064 OG1 THR A 66 3.077 -14.177 7.986 1.00 5.41 O ATOM 1065 CG2 THR A 66 1.201 -14.950 9.223 1.00 45.23 C ATOM 0 H THR A 66 2.602 -15.910 5.558 1.00 12.41 H new ATOM 0 HA THR A 66 3.165 -16.738 8.395 1.00 74.43 H new ATOM 0 HB THR A 66 1.242 -14.829 7.133 1.00 45.40 H new ATOM 0 HG1 THR A 66 2.761 -13.277 8.209 1.00 5.41 H new ATOM 0 HG21 THR A 66 0.858 -13.924 9.358 1.00 45.23 H new ATOM 0 HG22 THR A 66 0.341 -15.620 9.199 1.00 45.23 H new ATOM 0 HG23 THR A 66 1.853 -15.226 10.051 1.00 45.23 H new ATOM 1146 N THR A 73 -2.353 -19.468 4.322 1.00 0.44 N ATOM 1147 CA THR A 73 -0.964 -19.057 4.239 1.00 44.13 C ATOM 1148 C THR A 73 -0.891 -17.682 3.568 1.00 70.32 C ATOM 1149 O THR A 73 -1.006 -17.600 2.348 1.00 14.33 O ATOM 1150 CB THR A 73 -0.173 -20.150 3.504 1.00 55.53 C ATOM 1151 OG1 THR A 73 -0.170 -21.308 4.313 1.00 31.44 O ATOM 1152 CG2 THR A 73 1.273 -19.771 3.171 1.00 4.41 C ATOM 0 HA THR A 73 -0.511 -18.946 5.224 1.00 44.13 H new ATOM 0 HB THR A 73 -0.669 -20.310 2.546 1.00 55.53 H new ATOM 0 HG1 THR A 73 -0.969 -21.313 4.881 1.00 31.44 H new ATOM 0 HG21 THR A 73 1.756 -20.600 2.654 1.00 4.41 H new ATOM 0 HG22 THR A 73 1.280 -18.889 2.530 1.00 4.41 H new ATOM 0 HG23 THR A 73 1.814 -19.554 4.092 1.00 4.41 H new ATOM 1160 N TYR A 74 -0.722 -16.607 4.343 1.00 51.10 N ATOM 1161 CA TYR A 74 -0.554 -15.251 3.822 1.00 23.11 C ATOM 1162 C TYR A 74 0.914 -15.003 3.483 1.00 4.15 C ATOM 1163 O TYR A 74 1.753 -14.853 4.381 1.00 52.40 O ATOM 1164 CB TYR A 74 -1.060 -14.210 4.829 1.00 24.21 C ATOM 1165 CG TYR A 74 -1.053 -12.783 4.305 1.00 45.14 C ATOM 1166 CD1 TYR A 74 -1.726 -12.477 3.106 1.00 1.54 C ATOM 1167 CD2 TYR A 74 -0.449 -11.747 5.045 1.00 25.12 C ATOM 1168 CE1 TYR A 74 -1.877 -11.146 2.683 1.00 33.31 C ATOM 1169 CE2 TYR A 74 -0.581 -10.412 4.619 1.00 3.54 C ATOM 1170 CZ TYR A 74 -1.334 -10.104 3.464 1.00 2.32 C ATOM 1171 OH TYR A 74 -1.493 -8.805 3.093 1.00 51.53 O ATOM 0 H TYR A 74 -0.698 -16.656 5.362 1.00 51.10 H new ATOM 0 HA TYR A 74 -1.148 -15.152 2.913 1.00 23.11 H new ATOM 0 HB2 TYR A 74 -2.076 -14.471 5.126 1.00 24.21 H new ATOM 0 HB3 TYR A 74 -0.443 -14.259 5.726 1.00 24.21 H new ATOM 0 HD1 TYR A 74 -2.131 -13.277 2.504 1.00 1.54 H new ATOM 0 HD2 TYR A 74 0.114 -11.977 5.937 1.00 25.12 H new ATOM 0 HE1 TYR A 74 -2.404 -10.922 1.767 1.00 33.31 H new ATOM 0 HE2 TYR A 74 -0.105 -9.620 5.177 1.00 3.54 H new ATOM 0 HH TYR A 74 -2.286 -8.722 2.523 1.00 51.53 H new ATOM 1181 N ILE A 75 1.265 -14.997 2.203 1.00 72.33 N ATOM 1182 CA ILE A 75 2.595 -14.639 1.729 1.00 54.40 C ATOM 1183 C ILE A 75 2.672 -13.107 1.665 1.00 71.21 C ATOM 1184 O ILE A 75 1.661 -12.418 1.515 1.00 30.42 O ATOM 1185 CB ILE A 75 2.883 -15.355 0.387 1.00 12.53 C ATOM 1186 CG1 ILE A 75 2.689 -16.890 0.524 1.00 4.35 C ATOM 1187 CG2 ILE A 75 4.325 -15.112 -0.083 1.00 4.12 C ATOM 1188 CD1 ILE A 75 1.367 -17.375 -0.068 1.00 60.22 C ATOM 0 H ILE A 75 0.621 -15.245 1.452 1.00 72.33 H new ATOM 0 HA ILE A 75 3.381 -14.975 2.406 1.00 54.40 H new ATOM 0 HB ILE A 75 2.181 -14.944 -0.339 1.00 12.53 H new ATOM 0 HG12 ILE A 75 3.514 -17.402 0.027 1.00 4.35 H new ATOM 0 HG13 ILE A 75 2.732 -17.164 1.578 1.00 4.35 H new ATOM 0 HG21 ILE A 75 4.492 -15.629 -1.028 1.00 4.12 H new ATOM 0 HG22 ILE A 75 4.487 -14.043 -0.221 1.00 4.12 H new ATOM 0 HG23 ILE A 75 5.020 -15.491 0.666 1.00 4.12 H new ATOM 0 HD11 ILE A 75 1.287 -18.455 0.057 1.00 60.22 H new ATOM 0 HD12 ILE A 75 0.538 -16.888 0.445 1.00 60.22 H new ATOM 0 HD13 ILE A 75 1.331 -17.129 -1.129 1.00 60.22 H new ATOM 1200 N SER A 76 3.870 -12.551 1.826 1.00 62.32 N ATOM 1201 CA SER A 76 4.154 -11.126 1.699 1.00 65.43 C ATOM 1202 C SER A 76 5.601 -11.032 1.229 1.00 24.14 C ATOM 1203 O SER A 76 6.430 -11.703 1.844 1.00 11.01 O ATOM 1204 CB SER A 76 3.982 -10.441 3.063 1.00 5.53 C ATOM 1205 OG SER A 76 2.775 -10.827 3.713 1.00 24.11 O ATOM 0 H SER A 76 4.698 -13.100 2.057 1.00 62.32 H new ATOM 0 HA SER A 76 3.479 -10.633 0.999 1.00 65.43 H new ATOM 0 HB2 SER A 76 4.831 -10.688 3.701 1.00 5.53 H new ATOM 0 HB3 SER A 76 3.989 -9.359 2.928 1.00 5.53 H new ATOM 0 HG SER A 76 2.707 -10.369 4.577 1.00 24.11 H new ATOM 1211 N HIS A 77 5.919 -10.303 0.153 1.00 65.12 N ATOM 1212 CA HIS A 77 7.279 -10.128 -0.376 1.00 30.51 C ATOM 1213 C HIS A 77 7.270 -9.289 -1.659 1.00 65.30 C ATOM 1214 O HIS A 77 6.223 -8.972 -2.215 1.00 33.42 O ATOM 1215 CB HIS A 77 7.979 -11.486 -0.633 1.00 25.51 C ATOM 1216 CG HIS A 77 7.211 -12.531 -1.401 1.00 51.30 C ATOM 1217 ND1 HIS A 77 7.540 -13.868 -1.426 1.00 5.03 N ATOM 1218 CD2 HIS A 77 6.125 -12.349 -2.218 1.00 14.22 C ATOM 1219 CE1 HIS A 77 6.690 -14.476 -2.265 1.00 34.45 C ATOM 1220 NE2 HIS A 77 5.804 -13.597 -2.757 1.00 1.05 N ATOM 0 H HIS A 77 5.216 -9.803 -0.391 1.00 65.12 H new ATOM 0 HA HIS A 77 7.848 -9.596 0.387 1.00 30.51 H new ATOM 0 HB2 HIS A 77 8.908 -11.290 -1.169 1.00 25.51 H new ATOM 0 HB3 HIS A 77 8.252 -11.911 0.333 1.00 25.51 H new ATOM 0 HD2 HIS A 77 5.614 -11.417 -2.409 1.00 14.22 H new ATOM 0 HE1 HIS A 77 6.715 -15.527 -2.511 1.00 34.45 H new ATOM 0 HE2 HIS A 77 5.041 -13.801 -3.402 1.00 1.05 H new ATOM 1228 N PHE A 78 8.454 -8.959 -2.168 1.00 25.41 N ATOM 1229 CA PHE A 78 8.646 -8.481 -3.527 1.00 12.42 C ATOM 1230 C PHE A 78 8.517 -9.661 -4.478 1.00 62.13 C ATOM 1231 O PHE A 78 9.384 -10.538 -4.501 1.00 65.21 O ATOM 1232 CB PHE A 78 10.001 -7.774 -3.660 1.00 71.20 C ATOM 1233 CG PHE A 78 9.969 -6.420 -2.991 1.00 50.02 C ATOM 1234 CD1 PHE A 78 9.551 -5.312 -3.743 1.00 61.41 C ATOM 1235 CD2 PHE A 78 10.208 -6.282 -1.610 1.00 25.51 C ATOM 1236 CE1 PHE A 78 9.326 -4.083 -3.112 1.00 3.35 C ATOM 1237 CE2 PHE A 78 10.017 -5.037 -0.985 1.00 43.14 C ATOM 1238 CZ PHE A 78 9.559 -3.937 -1.732 1.00 22.53 C ATOM 0 H PHE A 78 9.321 -9.019 -1.634 1.00 25.41 H new ATOM 0 HA PHE A 78 7.884 -7.745 -3.782 1.00 12.42 H new ATOM 0 HB2 PHE A 78 10.782 -8.388 -3.211 1.00 71.20 H new ATOM 0 HB3 PHE A 78 10.253 -7.658 -4.714 1.00 71.20 H new ATOM 0 HD1 PHE A 78 9.403 -5.407 -4.809 1.00 61.41 H new ATOM 0 HD2 PHE A 78 10.538 -7.132 -1.031 1.00 25.51 H new ATOM 0 HE1 PHE A 78 8.971 -3.241 -3.688 1.00 3.35 H new ATOM 0 HE2 PHE A 78 10.222 -4.925 0.069 1.00 43.14 H new ATOM 0 HZ PHE A 78 9.387 -2.986 -1.250 1.00 22.53 H new ATOM 1248 N THR A 79 7.435 -9.713 -5.250 1.00 43.13 N ATOM 1249 CA THR A 79 7.301 -10.644 -6.365 1.00 34.51 C ATOM 1250 C THR A 79 8.063 -10.146 -7.599 1.00 2.31 C ATOM 1251 O THR A 79 8.299 -10.920 -8.525 1.00 72.23 O ATOM 1252 CB THR A 79 5.808 -10.837 -6.678 1.00 11.13 C ATOM 1253 OG1 THR A 79 5.152 -9.585 -6.718 1.00 50.41 O ATOM 1254 CG2 THR A 79 5.152 -11.693 -5.591 1.00 70.42 C ATOM 0 H THR A 79 6.624 -9.108 -5.119 1.00 43.13 H new ATOM 0 HA THR A 79 7.738 -11.603 -6.086 1.00 34.51 H new ATOM 0 HB THR A 79 5.722 -11.331 -7.646 1.00 11.13 H new ATOM 0 HG1 THR A 79 4.372 -9.643 -7.309 1.00 50.41 H new ATOM 0 HG21 THR A 79 4.095 -11.825 -5.820 1.00 70.42 H new ATOM 0 HG22 THR A 79 5.639 -12.667 -5.552 1.00 70.42 H new ATOM 0 HG23 THR A 79 5.255 -11.197 -4.626 1.00 70.42 H new ATOM 1262 N VAL A 80 8.486 -8.878 -7.619 1.00 71.43 N ATOM 1263 CA VAL A 80 8.983 -8.227 -8.821 1.00 41.40 C ATOM 1264 C VAL A 80 10.461 -7.911 -8.621 1.00 64.31 C ATOM 1265 O VAL A 80 10.844 -6.906 -8.014 1.00 25.34 O ATOM 1266 CB VAL A 80 8.088 -7.023 -9.154 1.00 72.13 C ATOM 1267 CG1 VAL A 80 8.566 -6.296 -10.415 1.00 5.34 C ATOM 1268 CG2 VAL A 80 6.625 -7.461 -9.311 1.00 45.40 C ATOM 0 H VAL A 80 8.491 -8.277 -6.795 1.00 71.43 H new ATOM 0 HA VAL A 80 8.929 -8.871 -9.699 1.00 41.40 H new ATOM 0 HB VAL A 80 8.157 -6.324 -8.320 1.00 72.13 H new ATOM 0 HG11 VAL A 80 7.909 -5.451 -10.619 1.00 5.34 H new ATOM 0 HG12 VAL A 80 9.584 -5.936 -10.264 1.00 5.34 H new ATOM 0 HG13 VAL A 80 8.546 -6.983 -11.261 1.00 5.34 H new ATOM 0 HG21 VAL A 80 6.009 -6.593 -9.546 1.00 45.40 H new ATOM 0 HG22 VAL A 80 6.548 -8.190 -10.117 1.00 45.40 H new ATOM 0 HG23 VAL A 80 6.278 -7.911 -8.381 1.00 45.40 H new ATOM 1278 N ASN A 81 11.304 -8.822 -9.108 1.00 71.10 N ATOM 1279 CA ASN A 81 12.752 -8.710 -9.059 1.00 44.23 C ATOM 1280 C ASN A 81 13.239 -7.982 -10.307 1.00 65.53 C ATOM 1281 O ASN A 81 13.722 -8.574 -11.275 1.00 33.45 O ATOM 1282 CB ASN A 81 13.371 -10.103 -8.883 1.00 31.11 C ATOM 1283 CG ASN A 81 14.880 -10.043 -8.698 1.00 30.31 C ATOM 1284 OD1 ASN A 81 15.384 -10.134 -7.585 1.00 32.15 O ATOM 1285 ND2 ASN A 81 15.637 -9.926 -9.772 1.00 30.55 N ATOM 0 H ASN A 81 10.984 -9.679 -9.559 1.00 71.10 H new ATOM 0 HA ASN A 81 13.071 -8.119 -8.200 1.00 44.23 H new ATOM 0 HB2 ASN A 81 12.920 -10.592 -8.020 1.00 31.11 H new ATOM 0 HB3 ASN A 81 13.138 -10.715 -9.754 1.00 31.11 H new ATOM 0 HD21 ASN A 81 16.653 -9.911 -9.681 1.00 30.55 H new ATOM 0 HD22 ASN A 81 15.207 -9.851 -10.694 1.00 30.55 H new ATOM 1292 N GLU A 82 13.106 -6.666 -10.252 1.00 12.11 N ATOM 1293 CA GLU A 82 13.515 -5.711 -11.271 1.00 11.33 C ATOM 1294 C GLU A 82 14.700 -4.907 -10.738 1.00 22.33 C ATOM 1295 O GLU A 82 14.925 -4.910 -9.522 1.00 11.31 O ATOM 1296 CB GLU A 82 12.317 -4.798 -11.596 1.00 43.02 C ATOM 1297 CG GLU A 82 11.417 -5.404 -12.678 1.00 30.31 C ATOM 1298 CD GLU A 82 12.124 -5.402 -14.033 1.00 64.43 C ATOM 1299 OE1 GLU A 82 12.023 -4.392 -14.769 1.00 10.11 O ATOM 1300 OE2 GLU A 82 12.825 -6.394 -14.349 1.00 70.21 O ATOM 0 H GLU A 82 12.683 -6.208 -9.445 1.00 12.11 H new ATOM 0 HA GLU A 82 13.824 -6.216 -12.186 1.00 11.33 H new ATOM 0 HB2 GLU A 82 11.734 -4.628 -10.691 1.00 43.02 H new ATOM 0 HB3 GLU A 82 12.681 -3.826 -11.928 1.00 43.02 H new ATOM 0 HG2 GLU A 82 11.148 -6.424 -12.404 1.00 30.31 H new ATOM 0 HG3 GLU A 82 10.489 -4.836 -12.746 1.00 30.31 H new ATOM 1307 N PRO A 83 15.475 -4.229 -11.600 1.00 33.13 N ATOM 1308 CA PRO A 83 16.589 -3.415 -11.142 1.00 34.51 C ATOM 1309 C PRO A 83 16.065 -2.171 -10.417 1.00 32.50 C ATOM 1310 O PRO A 83 16.354 -1.986 -9.237 1.00 71.52 O ATOM 1311 CB PRO A 83 17.393 -3.093 -12.407 1.00 52.11 C ATOM 1312 CG PRO A 83 16.379 -3.192 -13.547 1.00 14.34 C ATOM 1313 CD PRO A 83 15.392 -4.247 -13.056 1.00 24.32 C ATOM 0 HA PRO A 83 17.226 -3.919 -10.415 1.00 34.51 H new ATOM 0 HB2 PRO A 83 17.833 -2.097 -12.354 1.00 52.11 H new ATOM 0 HB3 PRO A 83 18.214 -3.797 -12.545 1.00 52.11 H new ATOM 0 HG2 PRO A 83 15.887 -2.237 -13.731 1.00 14.34 H new ATOM 0 HG3 PRO A 83 16.854 -3.491 -14.482 1.00 14.34 H new ATOM 0 HD2 PRO A 83 14.380 -4.021 -13.392 1.00 24.32 H new ATOM 0 HD3 PRO A 83 15.646 -5.232 -13.449 1.00 24.32 H new ATOM 1321 N ALA A 84 15.220 -1.383 -11.087 1.00 32.32 N ATOM 1322 CA ALA A 84 14.826 -0.037 -10.686 1.00 45.41 C ATOM 1323 C ALA A 84 13.305 0.160 -10.788 1.00 44.13 C ATOM 1324 O ALA A 84 12.837 1.288 -10.899 1.00 2.02 O ATOM 1325 CB ALA A 84 15.622 0.959 -11.548 1.00 33.32 C ATOM 0 H ALA A 84 14.777 -1.680 -11.956 1.00 32.32 H new ATOM 0 HA ALA A 84 15.062 0.135 -9.636 1.00 45.41 H new ATOM 0 HB1 ALA A 84 15.350 1.978 -11.272 1.00 33.32 H new ATOM 0 HB2 ALA A 84 16.689 0.811 -11.383 1.00 33.32 H new ATOM 0 HB3 ALA A 84 15.392 0.794 -12.601 1.00 33.32 H new ATOM 1331 N HIS A 85 12.522 -0.924 -10.800 1.00 54.13 N ATOM 1332 CA HIS A 85 11.068 -0.887 -10.994 1.00 10.22 C ATOM 1333 C HIS A 85 10.421 -2.045 -10.214 1.00 54.42 C ATOM 1334 O HIS A 85 9.618 -2.816 -10.740 1.00 52.01 O ATOM 1335 CB HIS A 85 10.780 -0.906 -12.507 1.00 25.51 C ATOM 1336 CG HIS A 85 9.487 -0.241 -12.908 1.00 34.32 C ATOM 1337 ND1 HIS A 85 8.224 -0.586 -12.485 1.00 42.45 N ATOM 1338 CD2 HIS A 85 9.359 0.814 -13.772 1.00 4.30 C ATOM 1339 CE1 HIS A 85 7.357 0.256 -13.077 1.00 25.41 C ATOM 1340 NE2 HIS A 85 7.997 1.109 -13.898 1.00 21.23 N ATOM 0 H HIS A 85 12.887 -1.868 -10.673 1.00 54.13 H new ATOM 0 HA HIS A 85 10.625 0.026 -10.597 1.00 10.22 H new ATOM 0 HB2 HIS A 85 11.603 -0.414 -13.026 1.00 25.51 H new ATOM 0 HB3 HIS A 85 10.762 -1.941 -12.847 1.00 25.51 H new ATOM 0 HD2 HIS A 85 10.168 1.328 -14.269 1.00 4.30 H new ATOM 0 HE1 HIS A 85 6.289 0.248 -12.915 1.00 25.41 H new ATOM 0 HE2 HIS A 85 7.576 1.824 -14.491 1.00 21.23 H new ATOM 1348 N LYS A 86 10.874 -2.244 -8.974 1.00 25.30 N ATOM 1349 CA LYS A 86 10.457 -3.356 -8.117 1.00 30.51 C ATOM 1350 C LYS A 86 9.016 -3.119 -7.661 1.00 14.34 C ATOM 1351 O LYS A 86 8.525 -1.996 -7.677 1.00 5.34 O ATOM 1352 CB LYS A 86 11.401 -3.462 -6.906 1.00 22.14 C ATOM 1353 CG LYS A 86 12.839 -3.896 -7.261 1.00 71.25 C ATOM 1354 CD LYS A 86 13.796 -3.555 -6.104 1.00 74.25 C ATOM 1355 CE LYS A 86 15.291 -3.538 -6.465 1.00 33.43 C ATOM 1356 NZ LYS A 86 15.827 -4.871 -6.794 1.00 54.25 N ATOM 0 H LYS A 86 11.553 -1.626 -8.530 1.00 25.30 H new ATOM 0 HA LYS A 86 10.506 -4.293 -8.671 1.00 30.51 H new ATOM 0 HB2 LYS A 86 11.439 -2.496 -6.403 1.00 22.14 H new ATOM 0 HB3 LYS A 86 10.983 -4.175 -6.195 1.00 22.14 H new ATOM 0 HG2 LYS A 86 12.865 -4.967 -7.461 1.00 71.25 H new ATOM 0 HG3 LYS A 86 13.164 -3.394 -8.172 1.00 71.25 H new ATOM 0 HD2 LYS A 86 13.525 -2.577 -5.707 1.00 74.25 H new ATOM 0 HD3 LYS A 86 13.642 -4.278 -5.303 1.00 74.25 H new ATOM 0 HE2 LYS A 86 15.445 -2.872 -7.314 1.00 33.43 H new ATOM 0 HE3 LYS A 86 15.855 -3.124 -5.629 1.00 33.43 H new ATOM 0 HZ1 LYS A 86 16.857 -4.877 -6.647 1.00 54.25 H new ATOM 0 HZ2 LYS A 86 15.385 -5.584 -6.179 1.00 54.25 H new ATOM 0 HZ3 LYS A 86 15.618 -5.093 -7.788 1.00 54.25 H new ATOM 1370 N GLU A 87 8.344 -4.151 -7.166 1.00 14.13 N ATOM 1371 CA GLU A 87 6.981 -4.053 -6.664 1.00 53.12 C ATOM 1372 C GLU A 87 6.750 -5.159 -5.624 1.00 51.34 C ATOM 1373 O GLU A 87 7.269 -6.274 -5.760 1.00 2.44 O ATOM 1374 CB GLU A 87 5.988 -4.098 -7.842 1.00 63.30 C ATOM 1375 CG GLU A 87 4.564 -4.375 -7.356 1.00 34.31 C ATOM 1376 CD GLU A 87 3.462 -3.934 -8.311 1.00 5.01 C ATOM 1377 OE1 GLU A 87 3.588 -4.171 -9.527 1.00 31.14 O ATOM 1378 OE2 GLU A 87 2.456 -3.363 -7.825 1.00 73.34 O ATOM 0 H GLU A 87 8.736 -5.091 -7.102 1.00 14.13 H new ATOM 0 HA GLU A 87 6.816 -3.101 -6.160 1.00 53.12 H new ATOM 0 HB2 GLU A 87 6.014 -3.150 -8.379 1.00 63.30 H new ATOM 0 HB3 GLU A 87 6.291 -4.872 -8.547 1.00 63.30 H new ATOM 0 HG2 GLU A 87 4.460 -5.445 -7.174 1.00 34.31 H new ATOM 0 HG3 GLU A 87 4.418 -3.873 -6.400 1.00 34.31 H new ATOM 1385 N PHE A 88 6.007 -4.819 -4.568 1.00 70.14 N ATOM 1386 CA PHE A 88 5.614 -5.696 -3.475 1.00 23.33 C ATOM 1387 C PHE A 88 4.228 -6.287 -3.725 1.00 30.41 C ATOM 1388 O PHE A 88 3.369 -5.628 -4.310 1.00 61.34 O ATOM 1389 CB PHE A 88 5.640 -4.901 -2.174 1.00 63.22 C ATOM 1390 CG PHE A 88 5.316 -5.676 -0.909 1.00 21.42 C ATOM 1391 CD1 PHE A 88 3.974 -5.848 -0.512 1.00 65.14 C ATOM 1392 CD2 PHE A 88 6.353 -6.113 -0.063 1.00 4.33 C ATOM 1393 CE1 PHE A 88 3.675 -6.412 0.736 1.00 31.43 C ATOM 1394 CE2 PHE A 88 6.051 -6.693 1.181 1.00 4.45 C ATOM 1395 CZ PHE A 88 4.713 -6.835 1.583 1.00 72.12 C ATOM 0 H PHE A 88 5.647 -3.872 -4.451 1.00 70.14 H new ATOM 0 HA PHE A 88 6.315 -6.528 -3.406 1.00 23.33 H new ATOM 0 HB2 PHE A 88 6.630 -4.460 -2.062 1.00 63.22 H new ATOM 0 HB3 PHE A 88 4.932 -4.077 -2.262 1.00 63.22 H new ATOM 0 HD1 PHE A 88 3.174 -5.544 -1.171 1.00 65.14 H new ATOM 0 HD2 PHE A 88 7.382 -6.002 -0.371 1.00 4.33 H new ATOM 0 HE1 PHE A 88 2.646 -6.521 1.046 1.00 31.43 H new ATOM 0 HE2 PHE A 88 6.848 -7.029 1.828 1.00 4.45 H new ATOM 0 HZ PHE A 88 4.482 -7.270 2.544 1.00 72.12 H new ATOM 1405 N GLU A 89 3.984 -7.488 -3.199 1.00 4.22 N ATOM 1406 CA GLU A 89 2.707 -8.184 -3.162 1.00 61.33 C ATOM 1407 C GLU A 89 2.571 -8.844 -1.788 1.00 13.24 C ATOM 1408 O GLU A 89 3.539 -9.392 -1.253 1.00 44.31 O ATOM 1409 CB GLU A 89 2.685 -9.278 -4.252 1.00 45.12 C ATOM 1410 CG GLU A 89 1.797 -8.913 -5.448 1.00 30.43 C ATOM 1411 CD GLU A 89 1.741 -10.021 -6.509 1.00 44.44 C ATOM 1412 OE1 GLU A 89 2.630 -10.045 -7.393 1.00 73.33 O ATOM 1413 OE2 GLU A 89 0.787 -10.835 -6.515 1.00 50.44 O ATOM 0 H GLU A 89 4.726 -8.033 -2.759 1.00 4.22 H new ATOM 0 HA GLU A 89 1.889 -7.486 -3.338 1.00 61.33 H new ATOM 0 HB2 GLU A 89 3.702 -9.455 -4.602 1.00 45.12 H new ATOM 0 HB3 GLU A 89 2.331 -10.212 -3.815 1.00 45.12 H new ATOM 0 HG2 GLU A 89 0.787 -8.704 -5.094 1.00 30.43 H new ATOM 0 HG3 GLU A 89 2.171 -7.997 -5.906 1.00 30.43 H new ATOM 1420 N ALA A 90 1.355 -8.888 -1.247 1.00 44.20 N ATOM 1421 CA ALA A 90 0.994 -9.791 -0.168 1.00 23.21 C ATOM 1422 C ALA A 90 -0.395 -10.333 -0.446 1.00 63.00 C ATOM 1423 O ALA A 90 -1.278 -9.565 -0.823 1.00 10.23 O ATOM 1424 CB ALA A 90 1.009 -9.067 1.174 1.00 52.33 C ATOM 0 H ALA A 90 0.588 -8.289 -1.552 1.00 44.20 H new ATOM 0 HA ALA A 90 1.718 -10.605 -0.117 1.00 23.21 H new ATOM 0 HB1 ALA A 90 0.735 -9.764 1.966 1.00 52.33 H new ATOM 0 HB2 ALA A 90 2.008 -8.675 1.365 1.00 52.33 H new ATOM 0 HB3 ALA A 90 0.294 -8.244 1.152 1.00 52.33 H new ATOM 1430 N GLY A 91 -0.589 -11.634 -0.260 1.00 44.44 N ATOM 1431 CA GLY A 91 -1.795 -12.351 -0.626 1.00 33.15 C ATOM 1432 C GLY A 91 -1.697 -13.798 -0.175 1.00 4.11 C ATOM 1433 O GLY A 91 -0.635 -14.256 0.256 1.00 33.41 O ATOM 0 H GLY A 91 0.117 -12.235 0.165 1.00 44.44 H new ATOM 0 HA2 GLY A 91 -2.663 -11.877 -0.168 1.00 33.15 H new ATOM 0 HA3 GLY A 91 -1.941 -12.307 -1.705 1.00 33.15 H new ATOM 1437 N TYR A 92 -2.820 -14.507 -0.217 1.00 61.10 N ATOM 1438 CA TYR A 92 -2.909 -15.854 0.328 1.00 4.25 C ATOM 1439 C TYR A 92 -2.590 -16.896 -0.741 1.00 24.01 C ATOM 1440 O TYR A 92 -2.736 -16.649 -1.943 1.00 32.45 O ATOM 1441 CB TYR A 92 -4.288 -16.083 0.969 1.00 30.41 C ATOM 1442 CG TYR A 92 -4.491 -15.339 2.273 1.00 12.55 C ATOM 1443 CD1 TYR A 92 -4.678 -13.945 2.263 1.00 33.23 C ATOM 1444 CD2 TYR A 92 -4.526 -16.034 3.497 1.00 30.22 C ATOM 1445 CE1 TYR A 92 -4.858 -13.243 3.463 1.00 70.41 C ATOM 1446 CE2 TYR A 92 -4.742 -15.341 4.703 1.00 71.34 C ATOM 1447 CZ TYR A 92 -4.912 -13.939 4.686 1.00 54.51 C ATOM 1448 OH TYR A 92 -5.111 -13.238 5.832 1.00 14.34 O ATOM 0 H TYR A 92 -3.689 -14.165 -0.628 1.00 61.10 H new ATOM 0 HA TYR A 92 -2.161 -15.966 1.113 1.00 4.25 H new ATOM 0 HB2 TYR A 92 -5.061 -15.777 0.264 1.00 30.41 H new ATOM 0 HB3 TYR A 92 -4.422 -17.150 1.146 1.00 30.41 H new ATOM 0 HD1 TYR A 92 -4.683 -13.412 1.324 1.00 33.23 H new ATOM 0 HD2 TYR A 92 -4.386 -17.105 3.511 1.00 30.22 H new ATOM 0 HE1 TYR A 92 -4.955 -12.167 3.450 1.00 70.41 H new ATOM 0 HE2 TYR A 92 -4.778 -15.880 5.638 1.00 71.34 H new ATOM 0 HH TYR A 92 -5.126 -13.854 6.594 1.00 14.34 H new ATOM 1458 N ASP A 93 -2.167 -18.070 -0.279 1.00 14.45 N ATOM 1459 CA ASP A 93 -1.909 -19.279 -1.055 1.00 53.30 C ATOM 1460 C ASP A 93 -3.154 -19.633 -1.875 1.00 63.22 C ATOM 1461 O ASP A 93 -4.268 -19.615 -1.349 1.00 73.43 O ATOM 1462 CB ASP A 93 -1.505 -20.380 -0.063 1.00 22.32 C ATOM 1463 CG ASP A 93 -1.028 -21.695 -0.684 1.00 75.20 C ATOM 1464 OD1 ASP A 93 -0.234 -21.636 -1.653 1.00 2.42 O ATOM 1465 OD2 ASP A 93 -1.267 -22.768 -0.081 1.00 11.53 O ATOM 0 H ASP A 93 -1.983 -18.211 0.714 1.00 14.45 H new ATOM 0 HA ASP A 93 -1.099 -19.146 -1.772 1.00 53.30 H new ATOM 0 HB2 ASP A 93 -0.711 -19.993 0.576 1.00 22.32 H new ATOM 0 HB3 ASP A 93 -2.358 -20.593 0.581 1.00 22.32 H new ATOM 1470 N GLU A 94 -2.970 -19.888 -3.173 1.00 12.13 N ATOM 1471 CA GLU A 94 -3.989 -20.039 -4.219 1.00 73.42 C ATOM 1472 C GLU A 94 -4.921 -18.829 -4.452 1.00 44.41 C ATOM 1473 O GLU A 94 -5.685 -18.865 -5.415 1.00 41.41 O ATOM 1474 CB GLU A 94 -4.753 -21.379 -4.085 1.00 55.34 C ATOM 1475 CG GLU A 94 -4.128 -22.497 -4.939 1.00 74.54 C ATOM 1476 CD GLU A 94 -4.981 -23.775 -5.024 1.00 63.24 C ATOM 1477 OE1 GLU A 94 -6.215 -23.694 -5.205 1.00 2.14 O ATOM 1478 OE2 GLU A 94 -4.401 -24.887 -4.994 1.00 75.30 O ATOM 0 H GLU A 94 -2.030 -20.004 -3.551 1.00 12.13 H new ATOM 0 HA GLU A 94 -3.414 -20.068 -5.145 1.00 73.42 H new ATOM 0 HB2 GLU A 94 -4.762 -21.686 -3.039 1.00 55.34 H new ATOM 0 HB3 GLU A 94 -5.791 -21.234 -4.384 1.00 55.34 H new ATOM 0 HG2 GLU A 94 -3.959 -22.118 -5.947 1.00 74.54 H new ATOM 0 HG3 GLU A 94 -3.152 -22.752 -4.527 1.00 74.54 H new ATOM 1485 N SER A 95 -4.811 -17.718 -3.717 1.00 24.33 N ATOM 1486 CA SER A 95 -5.714 -16.563 -3.793 1.00 3.12 C ATOM 1487 C SER A 95 -5.056 -15.330 -4.449 1.00 53.13 C ATOM 1488 O SER A 95 -4.109 -15.473 -5.236 1.00 35.54 O ATOM 1489 CB SER A 95 -6.247 -16.297 -2.382 1.00 41.12 C ATOM 1490 OG SER A 95 -7.176 -17.288 -1.995 1.00 20.12 O ATOM 0 H SER A 95 -4.067 -17.593 -3.030 1.00 24.33 H new ATOM 0 HA SER A 95 -6.551 -16.787 -4.455 1.00 3.12 H new ATOM 0 HB2 SER A 95 -5.418 -16.275 -1.675 1.00 41.12 H new ATOM 0 HB3 SER A 95 -6.721 -15.316 -2.348 1.00 41.12 H new ATOM 0 HG SER A 95 -7.500 -17.097 -1.090 1.00 20.12 H new ATOM 1496 N GLU A 96 -5.629 -14.138 -4.228 1.00 22.45 N ATOM 1497 CA GLU A 96 -5.253 -12.845 -4.801 1.00 10.05 C ATOM 1498 C GLU A 96 -4.603 -11.911 -3.756 1.00 2.23 C ATOM 1499 O GLU A 96 -4.907 -12.019 -2.560 1.00 41.54 O ATOM 1500 CB GLU A 96 -6.480 -12.170 -5.455 1.00 42.42 C ATOM 1501 CG GLU A 96 -7.721 -12.148 -4.549 1.00 74.00 C ATOM 1502 CD GLU A 96 -8.407 -10.783 -4.410 1.00 30.24 C ATOM 1503 OE1 GLU A 96 -7.844 -9.895 -3.732 1.00 4.51 O ATOM 1504 OE2 GLU A 96 -9.563 -10.608 -4.864 1.00 50.20 O ATOM 0 H GLU A 96 -6.426 -14.050 -3.597 1.00 22.45 H new ATOM 0 HA GLU A 96 -4.503 -13.033 -5.569 1.00 10.05 H new ATOM 0 HB2 GLU A 96 -6.220 -11.147 -5.727 1.00 42.42 H new ATOM 0 HB3 GLU A 96 -6.724 -12.694 -6.379 1.00 42.42 H new ATOM 0 HG2 GLU A 96 -8.447 -12.863 -4.937 1.00 74.00 H new ATOM 0 HG3 GLU A 96 -7.432 -12.494 -3.556 1.00 74.00 H new ATOM 1511 N PRO A 97 -3.740 -10.967 -4.188 1.00 33.52 N ATOM 1512 CA PRO A 97 -3.050 -10.041 -3.297 1.00 41.40 C ATOM 1513 C PRO A 97 -3.962 -8.955 -2.713 1.00 51.23 C ATOM 1514 O PRO A 97 -4.661 -8.257 -3.451 1.00 13.14 O ATOM 1515 CB PRO A 97 -1.899 -9.443 -4.111 1.00 64.23 C ATOM 1516 CG PRO A 97 -2.375 -9.571 -5.555 1.00 73.22 C ATOM 1517 CD PRO A 97 -3.216 -10.842 -5.542 1.00 72.14 C ATOM 0 HA PRO A 97 -2.686 -10.575 -2.419 1.00 41.40 H new ATOM 0 HB2 PRO A 97 -1.715 -8.403 -3.840 1.00 64.23 H new ATOM 0 HB3 PRO A 97 -0.968 -9.985 -3.946 1.00 64.23 H new ATOM 0 HG2 PRO A 97 -2.961 -8.705 -5.862 1.00 73.22 H new ATOM 0 HG3 PRO A 97 -1.537 -9.651 -6.248 1.00 73.22 H new ATOM 0 HD2 PRO A 97 -4.026 -10.781 -6.269 1.00 72.14 H new ATOM 0 HD3 PRO A 97 -2.614 -11.710 -5.808 1.00 72.14 H new ATOM 1525 N SER A 98 -3.911 -8.784 -1.388 1.00 44.24 N ATOM 1526 CA SER A 98 -4.675 -7.784 -0.647 1.00 64.41 C ATOM 1527 C SER A 98 -3.958 -6.430 -0.619 1.00 43.51 C ATOM 1528 O SER A 98 -4.583 -5.375 -0.486 1.00 5.25 O ATOM 1529 CB SER A 98 -4.958 -8.319 0.771 1.00 21.25 C ATOM 1530 OG SER A 98 -3.863 -8.323 1.677 1.00 52.21 O ATOM 0 H SER A 98 -3.318 -9.356 -0.787 1.00 44.24 H new ATOM 0 HA SER A 98 -5.624 -7.610 -1.153 1.00 64.41 H new ATOM 0 HB2 SER A 98 -5.760 -7.723 1.207 1.00 21.25 H new ATOM 0 HB3 SER A 98 -5.332 -9.339 0.683 1.00 21.25 H new ATOM 0 HG SER A 98 -4.163 -8.650 2.551 1.00 52.21 H new ATOM 1536 N LEU A 99 -2.629 -6.444 -0.742 1.00 51.31 N ATOM 1537 CA LEU A 99 -1.754 -5.294 -0.573 1.00 3.32 C ATOM 1538 C LEU A 99 -0.698 -5.375 -1.665 1.00 72.53 C ATOM 1539 O LEU A 99 -0.065 -6.425 -1.829 1.00 13.41 O ATOM 1540 CB LEU A 99 -1.142 -5.350 0.836 1.00 64.10 C ATOM 1541 CG LEU A 99 0.001 -4.349 1.088 1.00 74.20 C ATOM 1542 CD1 LEU A 99 -0.484 -2.895 1.078 1.00 53.51 C ATOM 1543 CD2 LEU A 99 0.629 -4.654 2.446 1.00 4.51 C ATOM 0 H LEU A 99 -2.117 -7.296 -0.972 1.00 51.31 H new ATOM 0 HA LEU A 99 -2.283 -4.345 -0.662 1.00 3.32 H new ATOM 0 HB2 LEU A 99 -1.931 -5.169 1.566 1.00 64.10 H new ATOM 0 HB3 LEU A 99 -0.768 -6.358 1.014 1.00 64.10 H new ATOM 0 HG LEU A 99 0.726 -4.460 0.282 1.00 74.20 H new ATOM 0 HD11 LEU A 99 0.359 -2.229 1.260 1.00 53.51 H new ATOM 0 HD12 LEU A 99 -0.925 -2.665 0.108 1.00 53.51 H new ATOM 0 HD13 LEU A 99 -1.232 -2.756 1.859 1.00 53.51 H new ATOM 0 HD21 LEU A 99 1.441 -3.952 2.637 1.00 4.51 H new ATOM 0 HD22 LEU A 99 -0.126 -4.557 3.226 1.00 4.51 H new ATOM 0 HD23 LEU A 99 1.021 -5.671 2.445 1.00 4.51 H new ATOM 1555 N ARG A 100 -0.523 -4.298 -2.434 1.00 25.21 N ATOM 1556 CA ARG A 100 0.349 -4.311 -3.604 1.00 65.13 C ATOM 1557 C ARG A 100 0.918 -2.931 -3.865 1.00 2.22 C ATOM 1558 O ARG A 100 0.170 -1.952 -3.849 1.00 3.12 O ATOM 1559 CB ARG A 100 -0.464 -4.805 -4.805 1.00 73.42 C ATOM 1560 CG ARG A 100 0.467 -5.256 -5.918 1.00 31.33 C ATOM 1561 CD ARG A 100 -0.307 -5.890 -7.066 1.00 33.24 C ATOM 1562 NE ARG A 100 0.546 -6.849 -7.773 1.00 64.10 N ATOM 1563 CZ ARG A 100 0.159 -7.651 -8.765 1.00 2.22 C ATOM 1564 NH1 ARG A 100 -1.057 -7.525 -9.287 1.00 24.14 N ATOM 1565 NH2 ARG A 100 0.996 -8.589 -9.191 1.00 62.54 N ATOM 0 H ARG A 100 -0.978 -3.401 -2.263 1.00 25.21 H new ATOM 0 HA ARG A 100 1.192 -4.980 -3.431 1.00 65.13 H new ATOM 0 HB2 ARG A 100 -1.108 -5.631 -4.503 1.00 73.42 H new ATOM 0 HB3 ARG A 100 -1.115 -4.008 -5.166 1.00 73.42 H new ATOM 0 HG2 ARG A 100 1.035 -4.402 -6.288 1.00 31.33 H new ATOM 0 HG3 ARG A 100 1.188 -5.972 -5.524 1.00 31.33 H new ATOM 0 HD2 ARG A 100 -1.195 -6.393 -6.683 1.00 33.24 H new ATOM 0 HD3 ARG A 100 -0.650 -5.118 -7.755 1.00 33.24 H new ATOM 0 HE ARG A 100 1.521 -6.908 -7.480 1.00 64.10 H new ATOM 0 HH11 ARG A 100 -1.695 -6.814 -8.929 1.00 24.14 H new ATOM 0 HH12 ARG A 100 -1.352 -8.139 -10.046 1.00 24.14 H new ATOM 0 HH21 ARG A 100 1.916 -8.686 -8.760 1.00 62.54 H new ATOM 0 HH22 ARG A 100 0.720 -9.213 -9.949 1.00 62.54 H new ATOM 1579 N VAL A 101 2.225 -2.817 -4.112 1.00 10.15 N ATOM 1580 CA VAL A 101 2.913 -1.525 -4.064 1.00 50.41 C ATOM 1581 C VAL A 101 4.041 -1.471 -5.090 1.00 3.20 C ATOM 1582 O VAL A 101 5.088 -2.085 -4.878 1.00 33.50 O ATOM 1583 CB VAL A 101 3.427 -1.266 -2.629 1.00 65.12 C ATOM 1584 CG1 VAL A 101 4.005 0.153 -2.527 1.00 71.11 C ATOM 1585 CG2 VAL A 101 2.275 -1.379 -1.617 1.00 34.20 C ATOM 0 H VAL A 101 2.829 -3.605 -4.348 1.00 10.15 H new ATOM 0 HA VAL A 101 2.211 -0.733 -4.324 1.00 50.41 H new ATOM 0 HB VAL A 101 4.194 -2.009 -2.408 1.00 65.12 H new ATOM 0 HG11 VAL A 101 4.365 0.327 -1.513 1.00 71.11 H new ATOM 0 HG12 VAL A 101 4.832 0.260 -3.229 1.00 71.11 H new ATOM 0 HG13 VAL A 101 3.229 0.880 -2.767 1.00 71.11 H new ATOM 0 HG21 VAL A 101 2.654 -1.194 -0.612 1.00 34.20 H new ATOM 0 HG22 VAL A 101 1.507 -0.643 -1.856 1.00 34.20 H new ATOM 0 HG23 VAL A 101 1.846 -2.380 -1.664 1.00 34.20 H new ATOM 1595 N VAL A 102 3.845 -0.737 -6.188 1.00 64.55 N ATOM 1596 CA VAL A 102 4.917 -0.417 -7.131 1.00 10.32 C ATOM 1597 C VAL A 102 5.941 0.486 -6.437 1.00 73.43 C ATOM 1598 O VAL A 102 5.567 1.378 -5.674 1.00 34.10 O ATOM 1599 CB VAL A 102 4.352 0.259 -8.401 1.00 54.11 C ATOM 1600 CG1 VAL A 102 5.464 0.610 -9.401 1.00 73.13 C ATOM 1601 CG2 VAL A 102 3.371 -0.651 -9.143 1.00 32.51 C ATOM 0 H VAL A 102 2.938 -0.348 -6.447 1.00 64.55 H new ATOM 0 HA VAL A 102 5.407 -1.339 -7.446 1.00 10.32 H new ATOM 0 HB VAL A 102 3.850 1.160 -8.049 1.00 54.11 H new ATOM 0 HG11 VAL A 102 5.027 1.083 -10.280 1.00 73.13 H new ATOM 0 HG12 VAL A 102 6.171 1.296 -8.933 1.00 73.13 H new ATOM 0 HG13 VAL A 102 5.985 -0.300 -9.700 1.00 73.13 H new ATOM 0 HG21 VAL A 102 2.998 -0.138 -10.029 1.00 32.51 H new ATOM 0 HG22 VAL A 102 3.880 -1.567 -9.442 1.00 32.51 H new ATOM 0 HG23 VAL A 102 2.536 -0.897 -8.487 1.00 32.51 H new ATOM 1611 N PHE A 103 7.223 0.297 -6.756 1.00 42.21 N ATOM 1612 CA PHE A 103 8.332 1.163 -6.360 1.00 3.23 C ATOM 1613 C PHE A 103 9.270 1.423 -7.551 1.00 44.24 C ATOM 1614 O PHE A 103 9.977 0.530 -8.020 1.00 14.30 O ATOM 1615 CB PHE A 103 9.116 0.560 -5.190 1.00 51.25 C ATOM 1616 CG PHE A 103 8.331 0.289 -3.920 1.00 64.25 C ATOM 1617 CD1 PHE A 103 7.707 -0.957 -3.749 1.00 12.42 C ATOM 1618 CD2 PHE A 103 8.297 1.229 -2.873 1.00 73.15 C ATOM 1619 CE1 PHE A 103 7.107 -1.290 -2.523 1.00 65.14 C ATOM 1620 CE2 PHE A 103 7.692 0.892 -1.646 1.00 14.40 C ATOM 1621 CZ PHE A 103 7.111 -0.372 -1.464 1.00 1.02 C ATOM 0 H PHE A 103 7.528 -0.496 -7.320 1.00 42.21 H new ATOM 0 HA PHE A 103 7.910 2.113 -6.033 1.00 3.23 H new ATOM 0 HB2 PHE A 103 9.560 -0.378 -5.524 1.00 51.25 H new ATOM 0 HB3 PHE A 103 9.938 1.233 -4.946 1.00 51.25 H new ATOM 0 HD1 PHE A 103 7.688 -1.664 -4.565 1.00 12.42 H new ATOM 0 HD2 PHE A 103 8.734 2.207 -3.010 1.00 73.15 H new ATOM 0 HE1 PHE A 103 6.641 -2.256 -2.396 1.00 65.14 H new ATOM 0 HE2 PHE A 103 7.675 1.611 -0.840 1.00 14.40 H new ATOM 0 HZ PHE A 103 6.670 -0.636 -0.514 1.00 1.02 H new ATOM 1631 N GLU A 104 9.310 2.661 -8.038 1.00 4.01 N ATOM 1632 CA GLU A 104 10.088 3.079 -9.206 1.00 13.33 C ATOM 1633 C GLU A 104 11.296 3.865 -8.713 1.00 63.12 C ATOM 1634 O GLU A 104 11.132 4.828 -7.954 1.00 51.33 O ATOM 1635 CB GLU A 104 9.212 3.973 -10.097 1.00 25.34 C ATOM 1636 CG GLU A 104 8.143 3.182 -10.858 1.00 53.25 C ATOM 1637 CD GLU A 104 6.898 4.034 -11.123 1.00 30.53 C ATOM 1638 OE1 GLU A 104 7.007 5.116 -11.741 1.00 34.34 O ATOM 1639 OE2 GLU A 104 5.787 3.643 -10.690 1.00 72.54 O ATOM 0 H GLU A 104 8.785 3.428 -7.618 1.00 4.01 H new ATOM 0 HA GLU A 104 10.416 2.214 -9.782 1.00 13.33 H new ATOM 0 HB2 GLU A 104 8.728 4.730 -9.481 1.00 25.34 H new ATOM 0 HB3 GLU A 104 9.845 4.500 -10.811 1.00 25.34 H new ATOM 0 HG2 GLU A 104 8.553 2.831 -11.805 1.00 53.25 H new ATOM 0 HG3 GLU A 104 7.865 2.298 -10.284 1.00 53.25 H new ATOM 1646 N LEU A 105 12.497 3.469 -9.135 1.00 72.41 N ATOM 1647 CA LEU A 105 13.749 4.116 -8.782 1.00 53.23 C ATOM 1648 C LEU A 105 14.200 5.029 -9.896 1.00 13.20 C ATOM 1649 O LEU A 105 14.440 4.619 -11.036 1.00 61.51 O ATOM 1650 CB LEU A 105 14.840 3.090 -8.487 1.00 52.32 C ATOM 1651 CG LEU A 105 16.185 3.667 -8.007 1.00 4.43 C ATOM 1652 CD1 LEU A 105 17.199 3.772 -9.128 1.00 54.45 C ATOM 1653 CD2 LEU A 105 16.135 4.829 -7.043 1.00 32.20 C ATOM 0 H LEU A 105 12.623 2.665 -9.750 1.00 72.41 H new ATOM 0 HA LEU A 105 13.575 4.703 -7.880 1.00 53.23 H new ATOM 0 HB2 LEU A 105 14.470 2.401 -7.728 1.00 52.32 H new ATOM 0 HB3 LEU A 105 15.017 2.505 -9.390 1.00 52.32 H new ATOM 0 HG LEU A 105 16.574 2.907 -7.330 1.00 4.43 H new ATOM 0 HD11 LEU A 105 18.130 4.184 -8.739 1.00 54.45 H new ATOM 0 HD12 LEU A 105 17.386 2.782 -9.543 1.00 54.45 H new ATOM 0 HD13 LEU A 105 16.811 4.426 -9.909 1.00 54.45 H new ATOM 0 HD21 LEU A 105 17.150 5.135 -6.788 1.00 32.20 H new ATOM 0 HD22 LEU A 105 15.610 5.664 -7.507 1.00 32.20 H new ATOM 0 HD23 LEU A 105 15.609 4.528 -6.137 1.00 32.20 H new ATOM 1665 N THR A 106 14.430 6.265 -9.499 1.00 32.52 N ATOM 1666 CA THR A 106 14.913 7.299 -10.376 1.00 72.43 C ATOM 1667 C THR A 106 16.018 8.020 -9.637 1.00 70.23 C ATOM 1668 O THR A 106 15.730 8.631 -8.617 1.00 30.13 O ATOM 1669 CB THR A 106 13.737 8.210 -10.755 1.00 30.34 C ATOM 1670 OG1 THR A 106 12.744 7.445 -11.408 1.00 43.33 O ATOM 1671 CG2 THR A 106 14.213 9.333 -11.670 1.00 4.00 C ATOM 0 H THR A 106 14.282 6.579 -8.540 1.00 32.52 H new ATOM 0 HA THR A 106 15.320 6.913 -11.310 1.00 72.43 H new ATOM 0 HB THR A 106 13.320 8.652 -9.850 1.00 30.34 H new ATOM 0 HG1 THR A 106 11.991 8.024 -11.650 1.00 43.33 H new ATOM 0 HG21 THR A 106 13.369 9.972 -11.931 1.00 4.00 H new ATOM 0 HG22 THR A 106 14.971 9.925 -11.156 1.00 4.00 H new ATOM 0 HG23 THR A 106 14.640 8.906 -12.578 1.00 4.00 H new ATOM 1679 N ASP A 107 17.263 7.983 -10.125 1.00 72.23 N ATOM 1680 CA ASP A 107 18.307 8.924 -9.674 1.00 64.35 C ATOM 1681 C ASP A 107 18.648 8.668 -8.198 1.00 34.40 C ATOM 1682 O ASP A 107 18.898 9.564 -7.391 1.00 3.34 O ATOM 1683 CB ASP A 107 17.827 10.353 -9.964 1.00 4.14 C ATOM 1684 CG ASP A 107 18.872 11.435 -9.735 1.00 13.20 C ATOM 1685 OD1 ASP A 107 20.016 11.285 -10.201 1.00 53.13 O ATOM 1686 OD2 ASP A 107 18.484 12.476 -9.152 1.00 30.33 O ATOM 0 H ASP A 107 17.576 7.316 -10.830 1.00 72.23 H new ATOM 0 HA ASP A 107 19.239 8.776 -10.219 1.00 64.35 H new ATOM 0 HB2 ASP A 107 17.491 10.405 -11.000 1.00 4.14 H new ATOM 0 HB3 ASP A 107 16.961 10.565 -9.337 1.00 4.14 H new ATOM 1691 N GLY A 108 18.526 7.391 -7.840 1.00 45.24 N ATOM 1692 CA GLY A 108 18.651 6.818 -6.521 1.00 50.12 C ATOM 1693 C GLY A 108 17.589 7.228 -5.505 1.00 42.03 C ATOM 1694 O GLY A 108 17.693 6.804 -4.359 1.00 13.13 O ATOM 0 H GLY A 108 18.318 6.675 -8.536 1.00 45.24 H new ATOM 0 HA2 GLY A 108 18.633 5.732 -6.616 1.00 50.12 H new ATOM 0 HA3 GLY A 108 19.629 7.087 -6.122 1.00 50.12 H new ATOM 1698 N LYS A 109 16.541 7.958 -5.902 1.00 51.01 N ATOM 1699 CA LYS A 109 15.357 8.183 -5.070 1.00 73.41 C ATOM 1700 C LYS A 109 14.243 7.250 -5.546 1.00 23.14 C ATOM 1701 O LYS A 109 13.829 7.304 -6.705 1.00 53.31 O ATOM 1702 CB LYS A 109 14.967 9.677 -5.014 1.00 42.21 C ATOM 1703 CG LYS A 109 15.100 10.445 -6.340 1.00 71.32 C ATOM 1704 CD LYS A 109 14.789 11.946 -6.234 1.00 45.05 C ATOM 1705 CE LYS A 109 15.926 12.785 -6.817 1.00 71.11 C ATOM 1706 NZ LYS A 109 15.968 12.719 -8.286 1.00 22.14 N ATOM 0 H LYS A 109 16.491 8.411 -6.815 1.00 51.01 H new ATOM 0 HA LYS A 109 15.570 7.933 -4.031 1.00 73.41 H new ATOM 0 HB2 LYS A 109 13.935 9.753 -4.672 1.00 42.21 H new ATOM 0 HB3 LYS A 109 15.588 10.169 -4.265 1.00 42.21 H new ATOM 0 HG2 LYS A 109 16.115 10.322 -6.718 1.00 71.32 H new ATOM 0 HG3 LYS A 109 14.430 9.998 -7.074 1.00 71.32 H new ATOM 0 HD2 LYS A 109 13.862 12.167 -6.763 1.00 45.05 H new ATOM 0 HD3 LYS A 109 14.632 12.215 -5.189 1.00 45.05 H new ATOM 0 HE2 LYS A 109 15.807 13.823 -6.505 1.00 71.11 H new ATOM 0 HE3 LYS A 109 16.876 12.437 -6.412 1.00 71.11 H new ATOM 0 HZ1 LYS A 109 16.955 12.630 -8.601 1.00 22.14 H new ATOM 0 HZ2 LYS A 109 15.425 11.894 -8.612 1.00 22.14 H new ATOM 0 HZ3 LYS A 109 15.554 13.586 -8.684 1.00 22.14 H new ATOM 1720 N TRP A 110 13.818 6.326 -4.679 1.00 52.23 N ATOM 1721 CA TRP A 110 12.685 5.446 -4.955 1.00 14.00 C ATOM 1722 C TRP A 110 11.402 6.178 -4.619 1.00 10.31 C ATOM 1723 O TRP A 110 11.361 6.964 -3.669 1.00 52.33 O ATOM 1724 CB TRP A 110 12.741 4.170 -4.105 1.00 10.41 C ATOM 1725 CG TRP A 110 13.852 3.254 -4.471 1.00 71.53 C ATOM 1726 CD1 TRP A 110 15.106 3.340 -3.997 1.00 25.10 C ATOM 1727 CD2 TRP A 110 13.837 2.094 -5.346 1.00 54.34 C ATOM 1728 NE1 TRP A 110 15.904 2.374 -4.580 1.00 72.34 N ATOM 1729 CE2 TRP A 110 15.165 1.573 -5.426 1.00 54.31 C ATOM 1730 CE3 TRP A 110 12.832 1.431 -6.087 1.00 25.53 C ATOM 1731 CZ2 TRP A 110 15.483 0.488 -6.256 1.00 42.22 C ATOM 1732 CZ3 TRP A 110 13.132 0.302 -6.871 1.00 53.05 C ATOM 1733 CH2 TRP A 110 14.457 -0.156 -6.971 1.00 4.04 C ATOM 0 H TRP A 110 14.251 6.169 -3.769 1.00 52.23 H new ATOM 0 HA TRP A 110 12.723 5.169 -6.008 1.00 14.00 H new ATOM 0 HB2 TRP A 110 12.842 4.448 -3.056 1.00 10.41 H new ATOM 0 HB3 TRP A 110 11.795 3.637 -4.204 1.00 10.41 H new ATOM 0 HD1 TRP A 110 15.442 4.060 -3.266 1.00 25.10 H new ATOM 0 HE1 TRP A 110 16.904 2.268 -4.408 1.00 72.34 H new ATOM 0 HE3 TRP A 110 11.817 1.797 -6.051 1.00 25.53 H new ATOM 0 HZ2 TRP A 110 16.505 0.150 -6.345 1.00 42.22 H new ATOM 0 HZ3 TRP A 110 12.342 -0.214 -7.397 1.00 53.05 H new ATOM 0 HH2 TRP A 110 14.688 -1.004 -7.598 1.00 4.04 H new ATOM 1744 N TYR A 111 10.331 5.824 -5.317 1.00 24.43 N ATOM 1745 CA TYR A 111 9.012 6.343 -5.056 1.00 22.11 C ATOM 1746 C TYR A 111 7.995 5.244 -5.254 1.00 5.23 C ATOM 1747 O TYR A 111 8.070 4.503 -6.233 1.00 31.33 O ATOM 1748 CB TYR A 111 8.728 7.479 -6.035 1.00 25.10 C ATOM 1749 CG TYR A 111 9.633 8.668 -5.822 1.00 52.43 C ATOM 1750 CD1 TYR A 111 9.404 9.496 -4.712 1.00 33.20 C ATOM 1751 CD2 TYR A 111 10.718 8.929 -6.682 1.00 21.14 C ATOM 1752 CE1 TYR A 111 10.215 10.613 -4.483 1.00 11.01 C ATOM 1753 CE2 TYR A 111 11.486 10.086 -6.502 1.00 51.01 C ATOM 1754 CZ TYR A 111 11.223 10.942 -5.409 1.00 50.25 C ATOM 1755 OH TYR A 111 11.879 12.123 -5.298 1.00 62.12 O ATOM 0 H TYR A 111 10.364 5.159 -6.089 1.00 24.43 H new ATOM 0 HA TYR A 111 8.952 6.712 -4.032 1.00 22.11 H new ATOM 0 HB2 TYR A 111 8.848 7.114 -7.055 1.00 25.10 H new ATOM 0 HB3 TYR A 111 7.690 7.794 -5.930 1.00 25.10 H new ATOM 0 HD1 TYR A 111 8.597 9.270 -4.031 1.00 33.20 H new ATOM 0 HD2 TYR A 111 10.957 8.239 -7.478 1.00 21.14 H new ATOM 0 HE1 TYR A 111 10.069 11.219 -3.601 1.00 11.01 H new ATOM 0 HE2 TYR A 111 12.278 10.324 -7.197 1.00 51.01 H new ATOM 0 HH TYR A 111 11.913 12.391 -4.356 1.00 62.12 H new ATOM 1765 N VAL A 112 7.013 5.174 -4.363 1.00 41.13 N ATOM 1766 CA VAL A 112 5.751 4.548 -4.694 1.00 65.42 C ATOM 1767 C VAL A 112 5.087 5.489 -5.701 1.00 3.34 C ATOM 1768 O VAL A 112 5.000 6.689 -5.432 1.00 5.43 O ATOM 1769 CB VAL A 112 4.931 4.375 -3.402 1.00 3.24 C ATOM 1770 CG1 VAL A 112 3.539 3.801 -3.660 1.00 45.34 C ATOM 1771 CG2 VAL A 112 5.641 3.465 -2.394 1.00 14.11 C ATOM 0 H VAL A 112 7.071 5.542 -3.413 1.00 41.13 H new ATOM 0 HA VAL A 112 5.851 3.554 -5.129 1.00 65.42 H new ATOM 0 HB VAL A 112 4.832 5.380 -2.992 1.00 3.24 H new ATOM 0 HG11 VAL A 112 3.006 3.701 -2.715 1.00 45.34 H new ATOM 0 HG12 VAL A 112 2.986 4.470 -4.319 1.00 45.34 H new ATOM 0 HG13 VAL A 112 3.631 2.822 -4.131 1.00 45.34 H new ATOM 0 HG21 VAL A 112 5.030 3.369 -1.497 1.00 14.11 H new ATOM 0 HG22 VAL A 112 5.793 2.481 -2.837 1.00 14.11 H new ATOM 0 HG23 VAL A 112 6.606 3.897 -2.131 1.00 14.11 H new ATOM 1781 N THR A 113 4.605 4.992 -6.837 1.00 32.43 N ATOM 1782 CA THR A 113 3.690 5.781 -7.663 1.00 50.45 C ATOM 1783 C THR A 113 2.338 5.089 -7.799 1.00 25.23 C ATOM 1784 O THR A 113 1.431 5.662 -8.405 1.00 23.33 O ATOM 1785 CB THR A 113 4.334 6.278 -8.979 1.00 11.44 C ATOM 1786 OG1 THR A 113 4.113 5.475 -10.117 1.00 24.54 O ATOM 1787 CG2 THR A 113 5.839 6.561 -8.851 1.00 34.14 C ATOM 0 H THR A 113 4.826 4.066 -7.203 1.00 32.43 H new ATOM 0 HA THR A 113 3.475 6.714 -7.142 1.00 50.45 H new ATOM 0 HB THR A 113 3.797 7.212 -9.147 1.00 11.44 H new ATOM 0 HG1 THR A 113 4.603 4.632 -10.023 1.00 24.54 H new ATOM 0 HG21 THR A 113 6.227 6.906 -9.809 1.00 34.14 H new ATOM 0 HG22 THR A 113 6.002 7.330 -8.096 1.00 34.14 H new ATOM 0 HG23 THR A 113 6.357 5.648 -8.557 1.00 34.14 H new ATOM 1795 N ASP A 114 2.165 3.913 -7.171 1.00 5.43 N ATOM 1796 CA ASP A 114 0.901 3.211 -7.232 1.00 61.14 C ATOM 1797 C ASP A 114 0.551 2.458 -5.954 1.00 34.52 C ATOM 1798 O ASP A 114 1.440 2.187 -5.141 1.00 11.34 O ATOM 1799 CB ASP A 114 0.905 2.266 -8.438 1.00 21.33 C ATOM 1800 CG ASP A 114 -0.529 2.026 -8.855 1.00 2.01 C ATOM 1801 OD1 ASP A 114 -1.343 2.946 -8.631 1.00 64.43 O ATOM 1802 OD2 ASP A 114 -0.845 0.931 -9.362 1.00 30.54 O ATOM 0 H ASP A 114 2.886 3.444 -6.624 1.00 5.43 H new ATOM 0 HA ASP A 114 0.122 3.965 -7.345 1.00 61.14 H new ATOM 0 HB2 ASP A 114 1.472 2.702 -9.260 1.00 21.33 H new ATOM 0 HB3 ASP A 114 1.389 1.324 -8.181 1.00 21.33 H new ATOM 1807 N CYS A 115 -0.733 2.147 -5.726 1.00 13.01 N ATOM 1808 CA CYS A 115 -1.137 1.478 -4.498 1.00 32.24 C ATOM 1809 C CYS A 115 -2.384 0.601 -4.651 1.00 30.42 C ATOM 1810 O CYS A 115 -3.379 0.985 -5.274 1.00 54.31 O ATOM 1811 CB CYS A 115 -1.288 2.527 -3.373 1.00 5.02 C ATOM 1812 SG CYS A 115 -2.878 3.383 -3.303 1.00 64.51 S ATOM 0 H CYS A 115 -1.496 2.348 -6.372 1.00 13.01 H new ATOM 0 HA CYS A 115 -0.349 0.774 -4.230 1.00 32.24 H new ATOM 0 HB2 CYS A 115 -1.121 2.032 -2.416 1.00 5.02 H new ATOM 0 HB3 CYS A 115 -0.501 3.272 -3.489 1.00 5.02 H new ATOM 0 HG CYS A 115 -3.727 2.785 -4.085 1.00 64.51 H new ATOM 1818 N TYR A 116 -2.360 -0.535 -3.959 1.00 44.22 N ATOM 1819 CA TYR A 116 -3.490 -1.391 -3.666 1.00 74.31 C ATOM 1820 C TYR A 116 -3.429 -1.617 -2.159 1.00 61.35 C ATOM 1821 O TYR A 116 -2.408 -2.102 -1.668 1.00 62.00 O ATOM 1822 CB TYR A 116 -3.338 -2.699 -4.447 1.00 54.10 C ATOM 1823 CG TYR A 116 -4.630 -3.310 -4.928 1.00 32.15 C ATOM 1824 CD1 TYR A 116 -5.482 -3.987 -4.037 1.00 33.13 C ATOM 1825 CD2 TYR A 116 -4.929 -3.264 -6.298 1.00 12.31 C ATOM 1826 CE1 TYR A 116 -6.638 -4.629 -4.524 1.00 44.43 C ATOM 1827 CE2 TYR A 116 -6.081 -3.894 -6.793 1.00 34.54 C ATOM 1828 CZ TYR A 116 -6.935 -4.587 -5.908 1.00 12.23 C ATOM 1829 OH TYR A 116 -8.077 -5.158 -6.377 1.00 42.44 O ATOM 0 H TYR A 116 -1.492 -0.899 -3.566 1.00 44.22 H new ATOM 0 HA TYR A 116 -4.450 -0.962 -3.954 1.00 74.31 H new ATOM 0 HB2 TYR A 116 -2.697 -2.517 -5.310 1.00 54.10 H new ATOM 0 HB3 TYR A 116 -2.824 -3.424 -3.815 1.00 54.10 H new ATOM 0 HD1 TYR A 116 -5.251 -4.015 -2.982 1.00 33.13 H new ATOM 0 HD2 TYR A 116 -4.269 -2.741 -6.975 1.00 12.31 H new ATOM 0 HE1 TYR A 116 -7.295 -5.151 -3.844 1.00 44.43 H new ATOM 0 HE2 TYR A 116 -6.313 -3.849 -7.847 1.00 34.54 H new ATOM 0 HH TYR A 116 -8.128 -5.038 -7.348 1.00 42.44 H new ATOM 1839 N ASN A 117 -4.465 -1.230 -1.417 1.00 23.02 N ATOM 1840 CA ASN A 117 -4.671 -1.663 -0.033 1.00 54.13 C ATOM 1841 C ASN A 117 -6.039 -2.322 0.051 1.00 4.13 C ATOM 1842 O ASN A 117 -6.976 -1.936 -0.652 1.00 63.30 O ATOM 1843 CB ASN A 117 -4.633 -0.500 0.977 1.00 44.15 C ATOM 1844 CG ASN A 117 -3.264 -0.257 1.589 1.00 50.32 C ATOM 1845 OD1 ASN A 117 -2.475 0.519 1.062 1.00 14.44 O ATOM 1846 ND2 ASN A 117 -2.985 -0.854 2.742 1.00 53.32 N ATOM 0 H ASN A 117 -5.192 -0.602 -1.761 1.00 23.02 H new ATOM 0 HA ASN A 117 -3.860 -2.344 0.226 1.00 54.13 H new ATOM 0 HB2 ASN A 117 -4.964 0.411 0.479 1.00 44.15 H new ATOM 0 HB3 ASN A 117 -5.346 -0.703 1.776 1.00 44.15 H new ATOM 0 HD21 ASN A 117 -2.097 -0.671 3.209 1.00 53.32 H new ATOM 0 HD22 ASN A 117 -3.659 -1.496 3.160 1.00 53.32 H new ATOM 1853 N ASP A 118 -6.163 -3.231 1.005 1.00 53.52 N ATOM 1854 CA ASP A 118 -7.383 -3.886 1.453 1.00 30.41 C ATOM 1855 C ASP A 118 -8.441 -2.875 1.908 1.00 24.14 C ATOM 1856 O ASP A 118 -9.619 -3.053 1.603 1.00 21.02 O ATOM 1857 CB ASP A 118 -7.019 -4.853 2.590 1.00 52.54 C ATOM 1858 CG ASP A 118 -6.573 -4.128 3.863 1.00 12.32 C ATOM 1859 OD1 ASP A 118 -5.785 -3.158 3.756 1.00 54.53 O ATOM 1860 OD2 ASP A 118 -7.054 -4.554 4.942 1.00 50.14 O ATOM 0 H ASP A 118 -5.349 -3.556 1.527 1.00 53.52 H new ATOM 0 HA ASP A 118 -7.823 -4.435 0.620 1.00 30.41 H new ATOM 0 HB2 ASP A 118 -7.881 -5.481 2.817 1.00 52.54 H new ATOM 0 HB3 ASP A 118 -6.221 -5.516 2.256 1.00 52.54 H new ATOM 1865 N TRP A 119 -8.026 -1.767 2.533 1.00 44.20 N ATOM 1866 CA TRP A 119 -8.879 -0.639 2.916 1.00 70.11 C ATOM 1867 C TRP A 119 -9.738 -0.103 1.762 1.00 21.41 C ATOM 1868 O TRP A 119 -10.764 0.529 2.003 1.00 64.24 O ATOM 1869 CB TRP A 119 -8.001 0.495 3.465 1.00 64.25 C ATOM 1870 CG TRP A 119 -7.615 0.391 4.908 1.00 64.23 C ATOM 1871 CD1 TRP A 119 -6.429 -0.023 5.414 1.00 25.20 C ATOM 1872 CD2 TRP A 119 -8.422 0.778 6.060 1.00 50.45 C ATOM 1873 NE1 TRP A 119 -6.439 0.126 6.789 1.00 12.23 N ATOM 1874 CE2 TRP A 119 -7.653 0.593 7.242 1.00 30.40 C ATOM 1875 CE3 TRP A 119 -9.729 1.285 6.218 1.00 21.04 C ATOM 1876 CZ2 TRP A 119 -8.160 0.888 8.516 1.00 43.14 C ATOM 1877 CZ3 TRP A 119 -10.235 1.611 7.490 1.00 2.10 C ATOM 1878 CH2 TRP A 119 -9.446 1.428 8.639 1.00 50.32 C ATOM 0 H TRP A 119 -7.050 -1.628 2.795 1.00 44.20 H new ATOM 0 HA TRP A 119 -9.568 -1.007 3.676 1.00 70.11 H new ATOM 0 HB2 TRP A 119 -7.090 0.542 2.869 1.00 64.25 H new ATOM 0 HB3 TRP A 119 -8.527 1.438 3.318 1.00 64.25 H new ATOM 0 HD1 TRP A 119 -5.604 -0.409 4.834 1.00 25.20 H new ATOM 0 HE1 TRP A 119 -5.645 -0.084 7.393 1.00 12.23 H new ATOM 0 HE3 TRP A 119 -10.352 1.425 5.347 1.00 21.04 H new ATOM 0 HZ2 TRP A 119 -7.563 0.700 9.396 1.00 43.14 H new ATOM 0 HZ3 TRP A 119 -11.236 2.004 7.584 1.00 2.10 H new ATOM 0 HH2 TRP A 119 -9.829 1.702 9.611 1.00 50.32 H new ATOM 1889 N TYR A 120 -9.349 -0.348 0.506 1.00 13.43 N ATOM 1890 CA TYR A 120 -10.131 0.035 -0.654 1.00 63.42 C ATOM 1891 C TYR A 120 -10.219 -1.185 -1.579 1.00 72.03 C ATOM 1892 O TYR A 120 -9.512 -1.269 -2.588 1.00 53.51 O ATOM 1893 CB TYR A 120 -9.549 1.314 -1.293 1.00 63.05 C ATOM 1894 CG TYR A 120 -9.292 2.489 -0.345 1.00 52.25 C ATOM 1895 CD1 TYR A 120 -10.328 3.367 0.044 1.00 62.15 C ATOM 1896 CD2 TYR A 120 -7.998 2.698 0.169 1.00 63.03 C ATOM 1897 CE1 TYR A 120 -10.060 4.454 0.900 1.00 70.04 C ATOM 1898 CE2 TYR A 120 -7.722 3.790 1.012 1.00 1.22 C ATOM 1899 CZ TYR A 120 -8.753 4.689 1.356 1.00 1.10 C ATOM 1900 OH TYR A 120 -8.520 5.811 2.089 1.00 44.55 O ATOM 0 H TYR A 120 -8.476 -0.821 0.274 1.00 13.43 H new ATOM 0 HA TYR A 120 -11.153 0.310 -0.395 1.00 63.42 H new ATOM 0 HB2 TYR A 120 -8.609 1.056 -1.781 1.00 63.05 H new ATOM 0 HB3 TYR A 120 -10.232 1.648 -2.074 1.00 63.05 H new ATOM 0 HD1 TYR A 120 -11.333 3.204 -0.317 1.00 62.15 H new ATOM 0 HD2 TYR A 120 -7.206 2.010 -0.088 1.00 63.03 H new ATOM 0 HE1 TYR A 120 -10.863 5.108 1.206 1.00 70.04 H new ATOM 0 HE2 TYR A 120 -6.723 3.940 1.395 1.00 1.22 H new ATOM 0 HH TYR A 120 -7.638 5.748 2.512 1.00 44.55 H new ATOM 1910 N ASN A 121 -11.050 -2.167 -1.211 1.00 25.21 N ATOM 1911 CA ASN A 121 -11.271 -3.424 -1.941 1.00 45.44 C ATOM 1912 C ASN A 121 -12.725 -3.521 -2.419 1.00 61.44 C ATOM 1913 O ASN A 121 -13.498 -2.581 -2.267 1.00 14.51 O ATOM 1914 CB ASN A 121 -10.852 -4.651 -1.103 1.00 74.31 C ATOM 1915 CG ASN A 121 -11.929 -5.089 -0.111 1.00 10.25 C ATOM 1916 OD1 ASN A 121 -12.700 -6.004 -0.386 1.00 12.54 O ATOM 1917 ND2 ASN A 121 -12.019 -4.432 1.028 1.00 52.40 N ATOM 0 H ASN A 121 -11.611 -2.106 -0.361 1.00 25.21 H new ATOM 0 HA ASN A 121 -10.632 -3.420 -2.824 1.00 45.44 H new ATOM 0 HB2 ASN A 121 -10.622 -5.480 -1.772 1.00 74.31 H new ATOM 0 HB3 ASN A 121 -9.937 -4.418 -0.559 1.00 74.31 H new ATOM 0 HD21 ASN A 121 -12.741 -4.680 1.704 1.00 52.40 H new ATOM 0 HD22 ASN A 121 -11.366 -3.675 1.233 1.00 52.40 H new ATOM 1924 N PHE A 122 -13.083 -4.645 -3.041 1.00 10.15 N ATOM 1925 CA PHE A 122 -14.379 -4.904 -3.659 1.00 64.44 C ATOM 1926 C PHE A 122 -15.540 -4.764 -2.681 1.00 22.44 C ATOM 1927 O PHE A 122 -16.599 -4.229 -3.027 1.00 63.43 O ATOM 1928 CB PHE A 122 -14.337 -6.332 -4.241 1.00 43.12 C ATOM 1929 CG PHE A 122 -14.881 -6.489 -5.642 1.00 71.40 C ATOM 1930 CD1 PHE A 122 -14.242 -5.833 -6.709 1.00 45.12 C ATOM 1931 CD2 PHE A 122 -15.947 -7.371 -5.898 1.00 72.02 C ATOM 1932 CE1 PHE A 122 -14.660 -6.059 -8.032 1.00 10.31 C ATOM 1933 CE2 PHE A 122 -16.351 -7.610 -7.222 1.00 53.52 C ATOM 1934 CZ PHE A 122 -15.710 -6.956 -8.288 1.00 21.24 C ATOM 0 H PHE A 122 -12.445 -5.436 -3.130 1.00 10.15 H new ATOM 0 HA PHE A 122 -14.553 -4.161 -4.437 1.00 64.44 H new ATOM 0 HB2 PHE A 122 -13.303 -6.677 -4.233 1.00 43.12 H new ATOM 0 HB3 PHE A 122 -14.898 -6.991 -3.578 1.00 43.12 H new ATOM 0 HD1 PHE A 122 -13.427 -5.153 -6.511 1.00 45.12 H new ATOM 0 HD2 PHE A 122 -16.453 -7.862 -5.080 1.00 72.02 H new ATOM 0 HE1 PHE A 122 -14.175 -5.545 -8.849 1.00 10.31 H new ATOM 0 HE2 PHE A 122 -17.158 -8.300 -7.422 1.00 53.52 H new ATOM 0 HZ PHE A 122 -16.025 -7.143 -9.304 1.00 21.24 H new ATOM 1944 N ASP A 123 -15.342 -5.231 -1.450 1.00 44.24 N ATOM 1945 CA ASP A 123 -16.364 -5.306 -0.415 1.00 70.00 C ATOM 1946 C ASP A 123 -16.488 -3.949 0.294 1.00 31.34 C ATOM 1947 O ASP A 123 -16.559 -3.872 1.521 1.00 71.02 O ATOM 1948 CB ASP A 123 -16.038 -6.492 0.515 1.00 22.22 C ATOM 1949 CG ASP A 123 -17.274 -7.176 1.111 1.00 24.35 C ATOM 1950 OD1 ASP A 123 -18.413 -6.970 0.632 1.00 45.21 O ATOM 1951 OD2 ASP A 123 -17.086 -8.082 1.958 1.00 63.00 O ATOM 0 H ASP A 123 -14.435 -5.578 -1.138 1.00 44.24 H new ATOM 0 HA ASP A 123 -17.351 -5.503 -0.835 1.00 70.00 H new ATOM 0 HB2 ASP A 123 -15.461 -7.230 -0.043 1.00 22.22 H new ATOM 0 HB3 ASP A 123 -15.403 -6.139 1.328 1.00 22.22 H new ATOM 1956 N LEU A 124 -16.434 -2.863 -0.489 1.00 70.12 N ATOM 1957 CA LEU A 124 -16.389 -1.472 -0.045 1.00 70.34 C ATOM 1958 C LEU A 124 -17.347 -0.610 -0.892 1.00 13.24 C ATOM 1959 O LEU A 124 -16.955 -0.135 -1.966 1.00 34.42 O ATOM 1960 CB LEU A 124 -14.942 -0.939 -0.048 1.00 64.13 C ATOM 1961 CG LEU A 124 -14.671 0.145 1.006 1.00 53.34 C ATOM 1962 CD1 LEU A 124 -15.720 1.264 1.013 1.00 33.30 C ATOM 1963 CD2 LEU A 124 -14.485 -0.494 2.381 1.00 73.03 C ATOM 0 H LEU A 124 -16.420 -2.941 -1.506 1.00 70.12 H new ATOM 0 HA LEU A 124 -16.735 -1.415 0.987 1.00 70.34 H new ATOM 0 HB2 LEU A 124 -14.259 -1.772 0.119 1.00 64.13 H new ATOM 0 HB3 LEU A 124 -14.717 -0.535 -1.035 1.00 64.13 H new ATOM 0 HG LEU A 124 -13.741 0.642 0.731 1.00 53.34 H new ATOM 0 HD11 LEU A 124 -15.467 1.995 1.781 1.00 33.30 H new ATOM 0 HD12 LEU A 124 -15.737 1.752 0.039 1.00 33.30 H new ATOM 0 HD13 LEU A 124 -16.702 0.841 1.224 1.00 33.30 H new ATOM 0 HD21 LEU A 124 -14.293 0.283 3.121 1.00 73.03 H new ATOM 0 HD22 LEU A 124 -15.388 -1.040 2.654 1.00 73.03 H new ATOM 0 HD23 LEU A 124 -13.640 -1.182 2.351 1.00 73.03 H new ATOM 1975 N PRO A 125 -18.637 -0.490 -0.540 1.00 32.44 N ATOM 1976 CA PRO A 125 -19.589 0.285 -1.322 1.00 53.50 C ATOM 1977 C PRO A 125 -19.310 1.791 -1.221 1.00 11.11 C ATOM 1978 O PRO A 125 -18.843 2.291 -0.196 1.00 23.22 O ATOM 1979 CB PRO A 125 -20.954 -0.057 -0.754 1.00 22.01 C ATOM 1980 CG PRO A 125 -20.644 -0.327 0.710 1.00 30.42 C ATOM 1981 CD PRO A 125 -19.263 -0.980 0.676 1.00 3.14 C ATOM 0 HA PRO A 125 -19.520 0.043 -2.382 1.00 53.50 H new ATOM 0 HB2 PRO A 125 -21.661 0.764 -0.874 1.00 22.01 H new ATOM 0 HB3 PRO A 125 -21.391 -0.928 -1.243 1.00 22.01 H new ATOM 0 HG2 PRO A 125 -20.637 0.594 1.294 1.00 30.42 H new ATOM 0 HG3 PRO A 125 -21.387 -0.985 1.161 1.00 30.42 H new ATOM 0 HD2 PRO A 125 -18.679 -0.710 1.556 1.00 3.14 H new ATOM 0 HD3 PRO A 125 -19.342 -2.067 0.667 1.00 3.14 H new ATOM 1989 N ILE A 126 -19.690 2.543 -2.258 1.00 21.14 N ATOM 1990 CA ILE A 126 -19.508 3.994 -2.305 1.00 74.13 C ATOM 1991 C ILE A 126 -20.316 4.613 -1.159 1.00 25.43 C ATOM 1992 O ILE A 126 -19.894 5.602 -0.550 1.00 74.44 O ATOM 1993 CB ILE A 126 -19.952 4.595 -3.663 1.00 70.45 C ATOM 1994 CG1 ILE A 126 -19.138 4.026 -4.844 1.00 5.44 C ATOM 1995 CG2 ILE A 126 -19.814 6.129 -3.698 1.00 34.21 C ATOM 1996 CD1 ILE A 126 -20.000 3.144 -5.745 1.00 62.01 C ATOM 0 H ILE A 126 -20.135 2.159 -3.092 1.00 21.14 H new ATOM 0 HA ILE A 126 -18.447 4.220 -2.196 1.00 74.13 H new ATOM 0 HB ILE A 126 -21.001 4.317 -3.765 1.00 70.45 H new ATOM 0 HG12 ILE A 126 -18.720 4.846 -5.428 1.00 5.44 H new ATOM 0 HG13 ILE A 126 -18.298 3.446 -4.462 1.00 5.44 H new ATOM 0 HG21 ILE A 126 -20.137 6.501 -4.670 1.00 34.21 H new ATOM 0 HG22 ILE A 126 -20.434 6.568 -2.917 1.00 34.21 H new ATOM 0 HG23 ILE A 126 -18.772 6.404 -3.532 1.00 34.21 H new ATOM 0 HD11 ILE A 126 -19.394 2.761 -6.566 1.00 62.01 H new ATOM 0 HD12 ILE A 126 -20.396 2.310 -5.166 1.00 62.01 H new ATOM 0 HD13 ILE A 126 -20.826 3.731 -6.147 1.00 62.01 H new ATOM 2008 N ASN A 127 -21.477 4.018 -0.862 1.00 63.13 N ATOM 2009 CA ASN A 127 -22.409 4.475 0.157 1.00 4.34 C ATOM 2010 C ASN A 127 -21.752 4.601 1.544 1.00 5.20 C ATOM 2011 O ASN A 127 -22.141 5.495 2.294 1.00 52.24 O ATOM 2012 CB ASN A 127 -23.694 3.618 0.130 1.00 2.40 C ATOM 2013 CG ASN A 127 -23.948 2.791 1.384 1.00 72.15 C ATOM 2014 OD1 ASN A 127 -24.410 3.325 2.384 1.00 32.42 O ATOM 2015 ND2 ASN A 127 -23.771 1.479 1.345 1.00 5.51 N ATOM 0 H ASN A 127 -21.798 3.178 -1.344 1.00 63.13 H new ATOM 0 HA ASN A 127 -22.714 5.494 -0.080 1.00 4.34 H new ATOM 0 HB2 ASN A 127 -24.548 4.277 -0.031 1.00 2.40 H new ATOM 0 HB3 ASN A 127 -23.645 2.945 -0.726 1.00 2.40 H new ATOM 0 HD21 ASN A 127 -24.020 0.907 2.152 1.00 5.51 H new ATOM 0 HD22 ASN A 127 -23.386 1.041 0.508 1.00 5.51 H new ATOM 2022 N GLU A 128 -20.685 3.844 1.835 1.00 64.01 N ATOM 2023 CA GLU A 128 -19.993 3.847 3.134 1.00 21.41 C ATOM 2024 C GLU A 128 -18.556 4.399 3.040 1.00 61.32 C ATOM 2025 O GLU A 128 -17.872 4.577 4.048 1.00 24.04 O ATOM 2026 CB GLU A 128 -19.998 2.417 3.701 1.00 51.52 C ATOM 2027 CG GLU A 128 -21.401 1.896 4.057 1.00 71.35 C ATOM 2028 CD GLU A 128 -21.859 2.169 5.492 1.00 61.02 C ATOM 2029 OE1 GLU A 128 -21.801 3.322 5.978 1.00 2.13 O ATOM 2030 OE2 GLU A 128 -22.371 1.212 6.116 1.00 23.44 O ATOM 0 H GLU A 128 -20.270 3.200 1.162 1.00 64.01 H new ATOM 0 HA GLU A 128 -20.529 4.518 3.806 1.00 21.41 H new ATOM 0 HB2 GLU A 128 -19.545 1.745 2.972 1.00 51.52 H new ATOM 0 HB3 GLU A 128 -19.372 2.387 4.593 1.00 51.52 H new ATOM 0 HG2 GLU A 128 -22.121 2.345 3.372 1.00 71.35 H new ATOM 0 HG3 GLU A 128 -21.425 0.820 3.885 1.00 71.35 H new ATOM 2037 N LEU A 129 -18.084 4.689 1.824 1.00 53.54 N ATOM 2038 CA LEU A 129 -16.692 5.004 1.514 1.00 2.31 C ATOM 2039 C LEU A 129 -16.190 6.244 2.241 1.00 50.52 C ATOM 2040 O LEU A 129 -15.035 6.299 2.655 1.00 3.52 O ATOM 2041 CB LEU A 129 -16.584 5.171 -0.004 1.00 11.20 C ATOM 2042 CG LEU A 129 -15.187 5.478 -0.575 1.00 1.10 C ATOM 2043 CD1 LEU A 129 -14.081 4.562 -0.044 1.00 53.31 C ATOM 2044 CD2 LEU A 129 -15.278 5.370 -2.113 1.00 2.24 C ATOM 0 H LEU A 129 -18.685 4.711 1.000 1.00 53.54 H new ATOM 0 HA LEU A 129 -16.056 4.190 1.861 1.00 2.31 H new ATOM 0 HB2 LEU A 129 -16.948 4.257 -0.472 1.00 11.20 H new ATOM 0 HB3 LEU A 129 -17.257 5.973 -0.305 1.00 11.20 H new ATOM 0 HG LEU A 129 -14.905 6.481 -0.253 1.00 1.10 H new ATOM 0 HD11 LEU A 129 -13.129 4.843 -0.494 1.00 53.31 H new ATOM 0 HD12 LEU A 129 -14.014 4.663 1.039 1.00 53.31 H new ATOM 0 HD13 LEU A 129 -14.312 3.528 -0.299 1.00 53.31 H new ATOM 0 HD21 LEU A 129 -14.303 5.582 -2.551 1.00 2.24 H new ATOM 0 HD22 LEU A 129 -15.588 4.362 -2.389 1.00 2.24 H new ATOM 0 HD23 LEU A 129 -16.007 6.089 -2.486 1.00 2.24 H new ATOM 2056 N GLU A 130 -17.041 7.251 2.401 1.00 64.35 N ATOM 2057 CA GLU A 130 -16.712 8.447 3.164 1.00 54.13 C ATOM 2058 C GLU A 130 -16.297 8.125 4.604 1.00 73.12 C ATOM 2059 O GLU A 130 -15.400 8.795 5.118 1.00 54.55 O ATOM 2060 CB GLU A 130 -17.904 9.410 3.151 1.00 14.33 C ATOM 2061 CG GLU A 130 -18.103 10.055 1.770 1.00 2.12 C ATOM 2062 CD GLU A 130 -19.184 11.144 1.719 1.00 54.44 C ATOM 2063 OE1 GLU A 130 -20.009 11.245 2.652 1.00 12.54 O ATOM 2064 OE2 GLU A 130 -19.257 11.851 0.684 1.00 62.44 O ATOM 0 H GLU A 130 -17.980 7.260 2.004 1.00 64.35 H new ATOM 0 HA GLU A 130 -15.853 8.919 2.687 1.00 54.13 H new ATOM 0 HB2 GLU A 130 -18.809 8.872 3.434 1.00 14.33 H new ATOM 0 HB3 GLU A 130 -17.750 10.189 3.897 1.00 14.33 H new ATOM 0 HG2 GLU A 130 -17.156 10.487 1.446 1.00 2.12 H new ATOM 0 HG3 GLU A 130 -18.359 9.275 1.053 1.00 2.12 H new ATOM 2071 N GLU A 131 -16.885 7.114 5.248 1.00 4.53 N ATOM 2072 CA GLU A 131 -16.469 6.697 6.584 1.00 62.41 C ATOM 2073 C GLU A 131 -15.142 5.936 6.499 1.00 53.32 C ATOM 2074 O GLU A 131 -14.280 6.109 7.351 1.00 2.50 O ATOM 2075 CB GLU A 131 -17.564 5.830 7.218 1.00 50.11 C ATOM 2076 CG GLU A 131 -17.358 5.623 8.723 1.00 74.15 C ATOM 2077 CD GLU A 131 -18.394 4.644 9.270 1.00 42.45 C ATOM 2078 OE1 GLU A 131 -18.142 3.424 9.181 1.00 65.34 O ATOM 2079 OE2 GLU A 131 -19.457 5.130 9.734 1.00 61.13 O ATOM 0 H GLU A 131 -17.655 6.568 4.861 1.00 4.53 H new ATOM 0 HA GLU A 131 -16.319 7.574 7.213 1.00 62.41 H new ATOM 0 HB2 GLU A 131 -18.534 6.297 7.049 1.00 50.11 H new ATOM 0 HB3 GLU A 131 -17.586 4.860 6.722 1.00 50.11 H new ATOM 0 HG2 GLU A 131 -16.354 5.243 8.911 1.00 74.15 H new ATOM 0 HG3 GLU A 131 -17.440 6.578 9.243 1.00 74.15 H new ATOM 2086 N THR A 132 -14.932 5.143 5.445 1.00 22.01 N ATOM 2087 CA THR A 132 -13.723 4.349 5.271 1.00 22.14 C ATOM 2088 C THR A 132 -12.496 5.266 5.197 1.00 52.32 C ATOM 2089 O THR A 132 -11.519 5.053 5.907 1.00 22.31 O ATOM 2090 CB THR A 132 -13.880 3.495 4.006 1.00 4.33 C ATOM 2091 OG1 THR A 132 -15.092 2.760 4.045 1.00 52.23 O ATOM 2092 CG2 THR A 132 -12.703 2.553 3.755 1.00 65.01 C ATOM 0 H THR A 132 -15.604 5.036 4.685 1.00 22.01 H new ATOM 0 HA THR A 132 -13.574 3.686 6.123 1.00 22.14 H new ATOM 0 HB THR A 132 -13.902 4.196 3.172 1.00 4.33 H new ATOM 0 HG1 THR A 132 -14.934 1.891 4.470 1.00 52.23 H new ATOM 0 HG21 THR A 132 -12.883 1.981 2.845 1.00 65.01 H new ATOM 0 HG22 THR A 132 -11.788 3.135 3.643 1.00 65.01 H new ATOM 0 HG23 THR A 132 -12.598 1.870 4.598 1.00 65.01 H new ATOM 2100 N ILE A 133 -12.541 6.321 4.371 1.00 22.44 N ATOM 2101 CA ILE A 133 -11.427 7.257 4.240 1.00 43.35 C ATOM 2102 C ILE A 133 -11.140 7.903 5.601 1.00 62.24 C ATOM 2103 O ILE A 133 -9.973 8.151 5.908 1.00 70.44 O ATOM 2104 CB ILE A 133 -11.740 8.332 3.177 1.00 51.33 C ATOM 2105 CG1 ILE A 133 -12.050 7.733 1.792 1.00 43.25 C ATOM 2106 CG2 ILE A 133 -10.572 9.319 2.987 1.00 3.52 C ATOM 2107 CD1 ILE A 133 -12.524 8.818 0.823 1.00 63.31 C ATOM 0 H ILE A 133 -13.344 6.544 3.783 1.00 22.44 H new ATOM 0 HA ILE A 133 -10.541 6.714 3.911 1.00 43.35 H new ATOM 0 HB ILE A 133 -12.620 8.847 3.564 1.00 51.33 H new ATOM 0 HG12 ILE A 133 -11.159 7.247 1.393 1.00 43.25 H new ATOM 0 HG13 ILE A 133 -12.817 6.964 1.887 1.00 43.25 H new ATOM 0 HG21 ILE A 133 -10.838 10.056 2.230 1.00 3.52 H new ATOM 0 HG22 ILE A 133 -10.366 9.825 3.930 1.00 3.52 H new ATOM 0 HG23 ILE A 133 -9.684 8.774 2.666 1.00 3.52 H new ATOM 0 HD11 ILE A 133 -12.737 8.371 -0.148 1.00 63.31 H new ATOM 0 HD12 ILE A 133 -13.428 9.285 1.213 1.00 63.31 H new ATOM 0 HD13 ILE A 133 -11.745 9.572 0.712 1.00 63.31 H new ATOM 2119 N GLN A 134 -12.182 8.178 6.393 1.00 10.23 N ATOM 2120 CA GLN A 134 -12.035 8.786 7.714 1.00 32.10 C ATOM 2121 C GLN A 134 -11.381 7.804 8.686 1.00 30.32 C ATOM 2122 O GLN A 134 -10.465 8.189 9.408 1.00 44.42 O ATOM 2123 CB GLN A 134 -13.395 9.265 8.252 1.00 12.33 C ATOM 2124 CG GLN A 134 -14.017 10.416 7.443 1.00 65.12 C ATOM 2125 CD GLN A 134 -13.640 11.786 7.992 1.00 62.01 C ATOM 2126 OE1 GLN A 134 -14.408 12.401 8.730 1.00 63.44 O ATOM 2127 NE2 GLN A 134 -12.462 12.290 7.672 1.00 13.51 N ATOM 0 H GLN A 134 -13.149 7.984 6.134 1.00 10.23 H new ATOM 0 HA GLN A 134 -11.386 9.657 7.619 1.00 32.10 H new ATOM 0 HB2 GLN A 134 -14.088 8.424 8.259 1.00 12.33 H new ATOM 0 HB3 GLN A 134 -13.272 9.586 9.286 1.00 12.33 H new ATOM 0 HG2 GLN A 134 -13.693 10.343 6.405 1.00 65.12 H new ATOM 0 HG3 GLN A 134 -15.102 10.313 7.446 1.00 65.12 H new ATOM 0 HE21 GLN A 134 -11.834 11.770 7.059 1.00 13.51 H new ATOM 0 HE22 GLN A 134 -12.180 13.199 8.038 1.00 13.51 H new ATOM 2136 N ALA A 135 -11.815 6.542 8.678 1.00 65.04 N ATOM 2137 CA ALA A 135 -11.307 5.485 9.543 1.00 63.22 C ATOM 2138 C ALA A 135 -9.810 5.271 9.343 1.00 4.54 C ATOM 2139 O ALA A 135 -9.080 5.116 10.320 1.00 5.13 O ATOM 2140 CB ALA A 135 -12.072 4.194 9.264 1.00 73.14 C ATOM 0 H ALA A 135 -12.552 6.222 8.049 1.00 65.04 H new ATOM 0 HA ALA A 135 -11.457 5.783 10.581 1.00 63.22 H new ATOM 0 HB1 ALA A 135 -11.695 3.401 9.909 1.00 73.14 H new ATOM 0 HB2 ALA A 135 -13.133 4.349 9.462 1.00 73.14 H new ATOM 0 HB3 ALA A 135 -11.936 3.909 8.221 1.00 73.14 H new ATOM 2146 N VAL A 136 -9.338 5.351 8.100 1.00 4.22 N ATOM 2147 CA VAL A 136 -7.915 5.307 7.778 1.00 72.22 C ATOM 2148 C VAL A 136 -7.156 6.394 8.562 1.00 41.11 C ATOM 2149 O VAL A 136 -6.018 6.183 8.981 1.00 41.31 O ATOM 2150 CB VAL A 136 -7.766 5.477 6.252 1.00 50.41 C ATOM 2151 CG1 VAL A 136 -6.314 5.661 5.822 1.00 1.41 C ATOM 2152 CG2 VAL A 136 -8.339 4.307 5.441 1.00 5.32 C ATOM 0 H VAL A 136 -9.939 5.449 7.282 1.00 4.22 H new ATOM 0 HA VAL A 136 -7.480 4.352 8.071 1.00 72.22 H new ATOM 0 HB VAL A 136 -8.343 6.377 6.038 1.00 50.41 H new ATOM 0 HG11 VAL A 136 -6.267 5.776 4.739 1.00 1.41 H new ATOM 0 HG12 VAL A 136 -5.903 6.551 6.300 1.00 1.41 H new ATOM 0 HG13 VAL A 136 -5.733 4.788 6.120 1.00 1.41 H new ATOM 0 HG21 VAL A 136 -8.198 4.498 4.377 1.00 5.32 H new ATOM 0 HG22 VAL A 136 -7.824 3.387 5.716 1.00 5.32 H new ATOM 0 HG23 VAL A 136 -9.403 4.204 5.653 1.00 5.32 H new ATOM 2162 N GLN A 137 -7.751 7.573 8.780 1.00 23.33 N ATOM 2163 CA GLN A 137 -7.060 8.642 9.485 1.00 61.34 C ATOM 2164 C GLN A 137 -6.925 8.346 10.989 1.00 31.00 C ATOM 2165 O GLN A 137 -6.026 8.913 11.611 1.00 62.15 O ATOM 2166 CB GLN A 137 -7.701 10.018 9.229 1.00 45.53 C ATOM 2167 CG GLN A 137 -7.998 10.372 7.755 1.00 33.44 C ATOM 2168 CD GLN A 137 -6.801 10.384 6.792 1.00 4.53 C ATOM 2169 OE1 GLN A 137 -5.628 10.290 7.164 1.00 53.33 O ATOM 2170 NE2 GLN A 137 -7.049 10.550 5.498 1.00 41.53 N ATOM 0 H GLN A 137 -8.698 7.803 8.480 1.00 23.33 H new ATOM 0 HA GLN A 137 -6.051 8.684 9.075 1.00 61.34 H new ATOM 0 HB2 GLN A 137 -8.635 10.069 9.788 1.00 45.53 H new ATOM 0 HB3 GLN A 137 -7.042 10.784 9.639 1.00 45.53 H new ATOM 0 HG2 GLN A 137 -8.732 9.661 7.376 1.00 33.44 H new ATOM 0 HG3 GLN A 137 -8.465 11.357 7.729 1.00 33.44 H new ATOM 0 HE21 GLN A 137 -8.011 10.630 5.169 1.00 41.53 H new ATOM 0 HE22 GLN A 137 -6.277 10.598 4.833 1.00 41.53 H new ATOM 2179 N GLU A 138 -7.757 7.482 11.586 1.00 10.31 N ATOM 2180 CA GLU A 138 -7.618 7.065 12.984 1.00 33.13 C ATOM 2181 C GLU A 138 -6.350 6.227 13.132 1.00 71.33 C ATOM 2182 O GLU A 138 -5.433 6.602 13.864 1.00 12.23 O ATOM 2183 CB GLU A 138 -8.829 6.247 13.460 1.00 10.30 C ATOM 2184 CG GLU A 138 -10.078 7.081 13.781 1.00 53.34 C ATOM 2185 CD GLU A 138 -10.028 7.890 15.088 1.00 21.32 C ATOM 2186 OE1 GLU A 138 -8.991 7.957 15.786 1.00 12.43 O ATOM 2187 OE2 GLU A 138 -11.067 8.488 15.452 1.00 43.42 O ATOM 0 H GLU A 138 -8.549 7.052 11.108 1.00 10.31 H new ATOM 0 HA GLU A 138 -7.559 7.962 13.600 1.00 33.13 H new ATOM 0 HB2 GLU A 138 -9.083 5.518 12.691 1.00 10.30 H new ATOM 0 HB3 GLU A 138 -8.544 5.686 14.350 1.00 10.30 H new ATOM 0 HG2 GLU A 138 -10.252 7.771 12.956 1.00 53.34 H new ATOM 0 HG3 GLU A 138 -10.937 6.412 13.823 1.00 53.34 H new ATOM 2194 N GLU A 139 -6.268 5.095 12.420 1.00 54.31 N ATOM 2195 CA GLU A 139 -5.066 4.262 12.499 1.00 44.32 C ATOM 2196 C GLU A 139 -3.801 5.042 12.110 1.00 32.20 C ATOM 2197 O GLU A 139 -2.736 4.801 12.687 1.00 31.24 O ATOM 2198 CB GLU A 139 -5.133 2.900 11.818 1.00 23.21 C ATOM 2199 CG GLU A 139 -5.693 3.012 10.434 1.00 41.23 C ATOM 2200 CD GLU A 139 -5.181 1.882 9.525 1.00 5.24 C ATOM 2201 OE1 GLU A 139 -5.194 0.701 9.931 1.00 42.13 O ATOM 2202 OE2 GLU A 139 -4.700 2.175 8.408 1.00 4.42 O ATOM 0 H GLU A 139 -6.998 4.744 11.800 1.00 54.31 H new ATOM 0 HA GLU A 139 -5.008 4.005 13.557 1.00 44.32 H new ATOM 0 HB2 GLU A 139 -4.135 2.463 11.775 1.00 23.21 H new ATOM 0 HB3 GLU A 139 -5.751 2.225 12.410 1.00 23.21 H new ATOM 0 HG2 GLU A 139 -6.782 2.980 10.477 1.00 41.23 H new ATOM 0 HG3 GLU A 139 -5.419 3.977 10.007 1.00 41.23 H new ATOM 2209 N ASN A 140 -3.931 6.014 11.193 1.00 25.13 N ATOM 2210 CA ASN A 140 -2.848 6.920 10.840 1.00 1.13 C ATOM 2211 C ASN A 140 -2.360 7.677 12.065 1.00 52.34 C ATOM 2212 O ASN A 140 -1.166 7.625 12.340 1.00 31.23 O ATOM 2213 CB ASN A 140 -3.220 7.925 9.733 1.00 5.40 C ATOM 2214 CG ASN A 140 -3.237 7.319 8.338 1.00 13.33 C ATOM 2215 OD1 ASN A 140 -2.636 6.288 8.098 1.00 3.31 O ATOM 2216 ND2 ASN A 140 -3.856 7.955 7.358 1.00 5.44 N ATOM 0 H ASN A 140 -4.795 6.187 10.680 1.00 25.13 H new ATOM 0 HA ASN A 140 -2.052 6.288 10.445 1.00 1.13 H new ATOM 0 HB2 ASN A 140 -4.203 8.344 9.950 1.00 5.40 H new ATOM 0 HB3 ASN A 140 -2.510 8.752 9.752 1.00 5.40 H new ATOM 0 HD21 ASN A 140 -3.828 7.581 6.409 1.00 5.44 H new ATOM 0 HD22 ASN A 140 -4.362 8.820 7.551 1.00 5.44 H new ATOM 2223 N LYS A 141 -3.222 8.415 12.782 1.00 44.23 N ATOM 2224 CA LYS A 141 -2.748 9.225 13.909 1.00 44.22 C ATOM 2225 C LYS A 141 -2.086 8.364 14.976 1.00 1.32 C ATOM 2226 O LYS A 141 -1.044 8.749 15.499 1.00 72.01 O ATOM 2227 CB LYS A 141 -3.824 10.132 14.506 1.00 32.31 C ATOM 2228 CG LYS A 141 -5.086 9.406 14.971 1.00 34.00 C ATOM 2229 CD LYS A 141 -5.955 10.282 15.861 1.00 21.33 C ATOM 2230 CE LYS A 141 -5.379 10.362 17.281 1.00 73.45 C ATOM 2231 NZ LYS A 141 -5.850 11.567 17.981 1.00 12.50 N ATOM 0 H LYS A 141 -4.225 8.467 12.606 1.00 44.23 H new ATOM 0 HA LYS A 141 -1.992 9.894 13.497 1.00 44.22 H new ATOM 0 HB2 LYS A 141 -3.398 10.670 15.353 1.00 32.31 H new ATOM 0 HB3 LYS A 141 -4.104 10.879 13.763 1.00 32.31 H new ATOM 0 HG2 LYS A 141 -5.662 9.089 14.102 1.00 34.00 H new ATOM 0 HG3 LYS A 141 -4.805 8.504 15.514 1.00 34.00 H new ATOM 0 HD2 LYS A 141 -6.025 11.283 15.436 1.00 21.33 H new ATOM 0 HD3 LYS A 141 -6.967 9.880 15.897 1.00 21.33 H new ATOM 0 HE2 LYS A 141 -5.669 9.475 17.844 1.00 73.45 H new ATOM 0 HE3 LYS A 141 -4.290 10.368 17.234 1.00 73.45 H new ATOM 0 HZ1 LYS A 141 -5.444 11.593 18.938 1.00 12.50 H new ATOM 0 HZ2 LYS A 141 -5.552 12.413 17.455 1.00 12.50 H new ATOM 0 HZ3 LYS A 141 -6.888 11.548 18.046 1.00 12.50 H new ATOM 2245 N ALA A 142 -2.673 7.207 15.277 1.00 11.21 N ATOM 2246 CA ALA A 142 -2.159 6.273 16.270 1.00 65.02 C ATOM 2247 C ALA A 142 -0.728 5.846 15.932 1.00 21.42 C ATOM 2248 O ALA A 142 0.108 5.750 16.832 1.00 1.14 O ATOM 2249 CB ALA A 142 -3.102 5.068 16.358 1.00 21.34 C ATOM 0 H ALA A 142 -3.533 6.890 14.829 1.00 11.21 H new ATOM 0 HA ALA A 142 -2.120 6.762 17.244 1.00 65.02 H new ATOM 0 HB1 ALA A 142 -2.724 4.364 17.099 1.00 21.34 H new ATOM 0 HB2 ALA A 142 -4.096 5.405 16.651 1.00 21.34 H new ATOM 0 HB3 ALA A 142 -3.157 4.577 15.386 1.00 21.34 H new ATOM 2255 N PHE A 143 -0.459 5.607 14.650 1.00 42.13 N ATOM 2256 CA PHE A 143 0.852 5.298 14.112 1.00 24.01 C ATOM 2257 C PHE A 143 1.769 6.520 14.218 1.00 54.24 C ATOM 2258 O PHE A 143 2.816 6.449 14.858 1.00 2.22 O ATOM 2259 CB PHE A 143 0.648 4.815 12.670 1.00 10.41 C ATOM 2260 CG PHE A 143 1.906 4.470 11.903 1.00 33.14 C ATOM 2261 CD1 PHE A 143 2.637 5.492 11.268 1.00 65.21 C ATOM 2262 CD2 PHE A 143 2.305 3.130 11.762 1.00 61.41 C ATOM 2263 CE1 PHE A 143 3.748 5.175 10.464 1.00 64.44 C ATOM 2264 CE2 PHE A 143 3.418 2.816 10.966 1.00 23.12 C ATOM 2265 CZ PHE A 143 4.134 3.831 10.307 1.00 13.32 C ATOM 0 H PHE A 143 -1.184 5.626 13.932 1.00 42.13 H new ATOM 0 HA PHE A 143 1.348 4.510 14.678 1.00 24.01 H new ATOM 0 HB2 PHE A 143 0.005 3.935 12.690 1.00 10.41 H new ATOM 0 HB3 PHE A 143 0.112 5.589 12.121 1.00 10.41 H new ATOM 0 HD1 PHE A 143 2.344 6.523 11.398 1.00 65.21 H new ATOM 0 HD2 PHE A 143 1.758 2.345 12.264 1.00 61.41 H new ATOM 0 HE1 PHE A 143 4.302 5.960 9.970 1.00 64.44 H new ATOM 0 HE2 PHE A 143 3.727 1.787 10.859 1.00 23.12 H new ATOM 0 HZ PHE A 143 4.978 3.580 9.682 1.00 13.32 H new ATOM 2275 N GLU A 144 1.410 7.651 13.598 1.00 11.11 N ATOM 2276 CA GLU A 144 2.326 8.783 13.460 1.00 54.55 C ATOM 2277 C GLU A 144 2.610 9.491 14.789 1.00 2.32 C ATOM 2278 O GLU A 144 3.613 10.197 14.893 1.00 24.31 O ATOM 2279 CB GLU A 144 1.866 9.776 12.381 1.00 11.24 C ATOM 2280 CG GLU A 144 0.520 10.433 12.657 1.00 52.22 C ATOM 2281 CD GLU A 144 0.396 11.832 12.056 1.00 2.23 C ATOM 2282 OE1 GLU A 144 0.657 11.994 10.844 1.00 61.21 O ATOM 2283 OE2 GLU A 144 -0.051 12.765 12.768 1.00 74.35 O ATOM 0 H GLU A 144 0.490 7.804 13.185 1.00 11.11 H new ATOM 0 HA GLU A 144 3.272 8.356 13.128 1.00 54.55 H new ATOM 0 HB2 GLU A 144 2.621 10.555 12.277 1.00 11.24 H new ATOM 0 HB3 GLU A 144 1.812 9.255 11.425 1.00 11.24 H new ATOM 0 HG2 GLU A 144 -0.273 9.802 12.257 1.00 52.22 H new ATOM 0 HG3 GLU A 144 0.367 10.493 13.735 1.00 52.22 H new ATOM 2290 N GLU A 145 1.790 9.291 15.824 1.00 22.02 N ATOM 2291 CA GLU A 145 2.090 9.751 17.178 1.00 71.01 C ATOM 2292 C GLU A 145 3.389 9.091 17.680 1.00 12.40 C ATOM 2293 O GLU A 145 4.085 9.670 18.513 1.00 71.23 O ATOM 2294 CB GLU A 145 0.880 9.477 18.095 1.00 14.22 C ATOM 2295 CG GLU A 145 0.957 10.170 19.471 1.00 43.42 C ATOM 2296 CD GLU A 145 -0.075 9.656 20.493 1.00 4.24 C ATOM 2297 OE1 GLU A 145 -1.298 9.628 20.208 1.00 21.04 O ATOM 2298 OE2 GLU A 145 0.344 9.273 21.610 1.00 3.44 O ATOM 0 H GLU A 145 0.897 8.804 15.744 1.00 22.02 H new ATOM 0 HA GLU A 145 2.262 10.827 17.186 1.00 71.01 H new ATOM 0 HB2 GLU A 145 -0.027 9.804 17.587 1.00 14.22 H new ATOM 0 HB3 GLU A 145 0.791 8.401 18.247 1.00 14.22 H new ATOM 0 HG2 GLU A 145 1.958 10.031 19.880 1.00 43.42 H new ATOM 0 HG3 GLU A 145 0.814 11.242 19.334 1.00 43.42 H new ATOM 2305 N LEU A 146 3.751 7.914 17.154 1.00 70.41 N ATOM 2306 CA LEU A 146 4.863 7.076 17.614 1.00 43.51 C ATOM 2307 C LEU A 146 5.853 6.680 16.503 1.00 13.12 C ATOM 2308 O LEU A 146 6.823 5.978 16.786 1.00 24.10 O ATOM 2309 CB LEU A 146 4.306 5.819 18.328 1.00 52.54 C ATOM 2310 CG LEU A 146 3.718 5.997 19.744 1.00 74.35 C ATOM 2311 CD1 LEU A 146 4.656 6.816 20.637 1.00 34.22 C ATOM 2312 CD2 LEU A 146 2.315 6.608 19.788 1.00 41.51 C ATOM 0 H LEU A 146 3.255 7.503 16.363 1.00 70.41 H new ATOM 0 HA LEU A 146 5.441 7.681 18.313 1.00 43.51 H new ATOM 0 HB2 LEU A 146 3.530 5.390 17.694 1.00 52.54 H new ATOM 0 HB3 LEU A 146 5.109 5.085 18.389 1.00 52.54 H new ATOM 0 HG LEU A 146 3.623 4.980 20.124 1.00 74.35 H new ATOM 0 HD11 LEU A 146 4.214 6.924 21.627 1.00 34.22 H new ATOM 0 HD12 LEU A 146 5.615 6.306 20.722 1.00 34.22 H new ATOM 0 HD13 LEU A 146 4.807 7.802 20.198 1.00 34.22 H new ATOM 0 HD21 LEU A 146 1.988 6.693 20.824 1.00 41.51 H new ATOM 0 HD22 LEU A 146 2.335 7.597 19.331 1.00 41.51 H new ATOM 0 HD23 LEU A 146 1.623 5.969 19.240 1.00 41.51 H new ATOM 2324 N HIS A 147 5.652 7.115 15.260 1.00 32.03 N ATOM 2325 CA HIS A 147 6.488 6.790 14.097 1.00 2.41 C ATOM 2326 C HIS A 147 6.885 8.119 13.426 1.00 73.24 C ATOM 2327 O HIS A 147 6.174 8.582 12.533 1.00 12.50 O ATOM 2328 CB HIS A 147 5.814 5.792 13.126 1.00 45.45 C ATOM 2329 CG HIS A 147 5.728 4.359 13.613 1.00 24.02 C ATOM 2330 ND1 HIS A 147 6.168 3.233 12.939 1.00 44.11 N ATOM 2331 CD2 HIS A 147 5.137 3.929 14.772 1.00 24.04 C ATOM 2332 CE1 HIS A 147 5.888 2.165 13.705 1.00 14.34 C ATOM 2333 NE2 HIS A 147 5.311 2.543 14.858 1.00 22.33 N ATOM 0 H HIS A 147 4.872 7.728 15.022 1.00 32.03 H new ATOM 0 HA HIS A 147 7.385 6.263 14.423 1.00 2.41 H new ATOM 0 HB2 HIS A 147 4.805 6.145 12.913 1.00 45.45 H new ATOM 0 HB3 HIS A 147 6.361 5.804 12.184 1.00 45.45 H new ATOM 0 HD1 HIS A 147 6.623 3.217 12.026 1.00 44.11 H new ATOM 0 HD2 HIS A 147 4.626 4.551 15.493 1.00 24.04 H new ATOM 0 HE1 HIS A 147 6.098 1.142 13.431 1.00 14.34 H new ATOM 2341 N PRO A 148 7.961 8.781 13.889 1.00 53.45 N ATOM 2342 CA PRO A 148 8.393 10.110 13.441 1.00 21.02 C ATOM 2343 C PRO A 148 8.962 10.155 12.018 1.00 41.31 C ATOM 2344 O PRO A 148 10.177 9.917 11.827 1.00 42.43 O ATOM 2345 CB PRO A 148 9.378 10.586 14.518 1.00 4.23 C ATOM 2346 CG PRO A 148 9.914 9.299 15.136 1.00 71.34 C ATOM 2347 CD PRO A 148 8.713 8.376 15.068 1.00 5.20 C ATOM 0 HA PRO A 148 7.540 10.782 13.348 1.00 21.02 H new ATOM 0 HB2 PRO A 148 10.181 11.184 14.086 1.00 4.23 H new ATOM 0 HB3 PRO A 148 8.882 11.208 15.263 1.00 4.23 H new ATOM 0 HG2 PRO A 148 10.762 8.903 14.577 1.00 71.34 H new ATOM 0 HG3 PRO A 148 10.251 9.451 16.161 1.00 71.34 H new ATOM 0 HD2 PRO A 148 9.025 7.334 14.993 1.00 5.20 H new ATOM 0 HD3 PRO A 148 8.104 8.462 15.968 1.00 5.20 H new