USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 696 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 102 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: B 69 MET CE :methyl -141:sc= -4.48! (180deg=-5.64!) USER MOD Set 2.1: A 100 THR OG1 : rot -80:sc= 0.724 USER MOD Set 2.2: B 100 THR OG1 : rot 134:sc= 0.422 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -173:sc= -7.41! (180deg=-7.71!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 THR OG1 : rot 33:sc= 0.0267 USER MOD Single : A 92 LYS NZ :NH3+ 150:sc= -4.09! (180deg=-6.16!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -112:sc= -1.35 (180deg=-2.47) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : B 62 SER OG : rot 180:sc= 0 USER MOD Single : B 68 SER OG : rot 180:sc= 0 USER MOD Single : B 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 89 THR OG1 : rot 29:sc= 0.0834 USER MOD Single : B 92 LYS NZ :NH3+ 153:sc= -3.94! (180deg=-6.46!) USER MOD Single : B 96 TYR OH : rot 173:sc= 0.0262 USER MOD Single : B 98 LYS NZ :NH3+ -108:sc= -1.2 (180deg=-1.94) USER MOD Single : B 102 THR OG1 : rot 86:sc= 0.358 USER MOD Single : B 106 SER OG : rot 180:sc= 0 USER MOD Single : B 108 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 61 9.485 -9.101 13.318 1.00 0.00 N ATOM 2 CA ALA A 61 8.842 -9.968 12.298 1.00 0.00 C ATOM 3 C ALA A 61 9.498 -9.804 10.939 1.00 0.00 C ATOM 4 O ALA A 61 9.821 -8.690 10.526 1.00 0.00 O ATOM 5 CB ALA A 61 7.362 -9.647 12.176 1.00 0.00 C ATOM 0 HA ALA A 61 8.966 -10.999 12.628 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.910 -10.293 11.424 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.874 -9.812 13.136 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.239 -8.605 11.880 1.00 0.00 H new ATOM 13 N SER A 62 9.670 -10.914 10.234 1.00 0.00 N ATOM 14 CA SER A 62 10.259 -10.881 8.910 1.00 0.00 C ATOM 15 C SER A 62 9.389 -10.049 7.988 1.00 0.00 C ATOM 16 O SER A 62 8.166 -10.030 8.115 1.00 0.00 O ATOM 17 CB SER A 62 10.401 -12.287 8.347 1.00 0.00 C ATOM 18 OG SER A 62 11.069 -13.143 9.259 1.00 0.00 O ATOM 0 H SER A 62 9.409 -11.845 10.559 1.00 0.00 H new ATOM 0 HA SER A 62 11.251 -10.435 8.982 1.00 0.00 H new ATOM 0 HB2 SER A 62 9.414 -12.692 8.121 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.953 -12.251 7.408 1.00 0.00 H new ATOM 0 HG SER A 62 11.144 -14.040 8.871 1.00 0.00 H new ATOM 24 N ASP A 63 10.032 -9.359 7.072 1.00 0.00 N ATOM 25 CA ASP A 63 9.335 -8.509 6.125 1.00 0.00 C ATOM 26 C ASP A 63 8.608 -9.334 5.071 1.00 0.00 C ATOM 27 O ASP A 63 7.559 -8.929 4.571 1.00 0.00 O ATOM 28 CB ASP A 63 10.318 -7.541 5.472 1.00 0.00 C ATOM 29 CG ASP A 63 10.967 -6.607 6.475 1.00 0.00 C ATOM 30 OD1 ASP A 63 10.649 -6.710 7.678 1.00 0.00 O ATOM 31 OD2 ASP A 63 11.794 -5.769 6.056 1.00 0.00 O ATOM 0 H ASP A 63 11.046 -9.369 6.961 1.00 0.00 H new ATOM 0 HA ASP A 63 8.583 -7.936 6.668 1.00 0.00 H new ATOM 0 HB2 ASP A 63 11.092 -8.108 4.955 1.00 0.00 H new ATOM 0 HB3 ASP A 63 9.796 -6.953 4.717 1.00 0.00 H new ATOM 36 N ASP A 64 9.172 -10.490 4.732 1.00 0.00 N ATOM 37 CA ASP A 64 8.584 -11.366 3.741 1.00 0.00 C ATOM 38 C ASP A 64 7.157 -11.722 4.100 1.00 0.00 C ATOM 39 O ASP A 64 6.313 -11.866 3.223 1.00 0.00 O ATOM 40 CB ASP A 64 9.422 -12.632 3.613 1.00 0.00 C ATOM 41 CG ASP A 64 10.901 -12.346 3.428 1.00 0.00 C ATOM 42 OD1 ASP A 64 11.275 -11.156 3.360 1.00 0.00 O ATOM 43 OD2 ASP A 64 11.687 -13.314 3.348 1.00 0.00 O ATOM 0 H ASP A 64 10.042 -10.838 5.136 1.00 0.00 H new ATOM 0 HA ASP A 64 8.568 -10.841 2.786 1.00 0.00 H new ATOM 0 HB2 ASP A 64 9.284 -13.244 4.504 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.061 -13.216 2.766 1.00 0.00 H new ATOM 48 N GLU A 65 6.887 -11.868 5.387 1.00 0.00 N ATOM 49 CA GLU A 65 5.555 -12.206 5.829 1.00 0.00 C ATOM 50 C GLU A 65 4.559 -11.158 5.338 1.00 0.00 C ATOM 51 O GLU A 65 3.423 -11.475 4.985 1.00 0.00 O ATOM 52 CB GLU A 65 5.502 -12.322 7.354 1.00 0.00 C ATOM 53 CG GLU A 65 4.127 -12.686 7.891 1.00 0.00 C ATOM 54 CD GLU A 65 4.098 -12.789 9.405 1.00 0.00 C ATOM 55 OE1 GLU A 65 5.154 -12.574 10.036 1.00 0.00 O ATOM 56 OE2 GLU A 65 3.019 -13.084 9.959 1.00 0.00 O ATOM 0 H GLU A 65 7.571 -11.757 6.135 1.00 0.00 H new ATOM 0 HA GLU A 65 5.285 -13.174 5.407 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.220 -13.076 7.678 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.815 -11.375 7.793 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.405 -11.936 7.568 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.813 -13.637 7.460 1.00 0.00 H new ATOM 63 N LEU A 66 5.014 -9.911 5.308 1.00 0.00 N ATOM 64 CA LEU A 66 4.200 -8.794 4.852 1.00 0.00 C ATOM 65 C LEU A 66 4.160 -8.758 3.333 1.00 0.00 C ATOM 66 O LEU A 66 3.127 -8.493 2.727 1.00 0.00 O ATOM 67 CB LEU A 66 4.775 -7.472 5.363 1.00 0.00 C ATOM 68 CG LEU A 66 4.782 -7.287 6.887 1.00 0.00 C ATOM 69 CD1 LEU A 66 3.382 -7.468 7.456 1.00 0.00 C ATOM 70 CD2 LEU A 66 5.761 -8.244 7.549 1.00 0.00 C ATOM 0 H LEU A 66 5.956 -9.647 5.599 1.00 0.00 H new ATOM 0 HA LEU A 66 3.191 -8.928 5.243 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.799 -7.380 5.001 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.205 -6.655 4.920 1.00 0.00 H new ATOM 0 HG LEU A 66 5.110 -6.270 7.102 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.408 -7.333 8.537 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.712 -6.731 7.014 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.022 -8.470 7.224 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.746 -8.091 8.628 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.474 -9.271 7.324 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.766 -8.056 7.170 1.00 0.00 H new ATOM 82 N PHE A 67 5.306 -9.008 2.728 1.00 0.00 N ATOM 83 CA PHE A 67 5.424 -8.995 1.284 1.00 0.00 C ATOM 84 C PHE A 67 4.739 -10.203 0.663 1.00 0.00 C ATOM 85 O PHE A 67 4.382 -10.191 -0.515 1.00 0.00 O ATOM 86 CB PHE A 67 6.897 -8.953 0.905 1.00 0.00 C ATOM 87 CG PHE A 67 7.593 -7.719 1.385 1.00 0.00 C ATOM 88 CD1 PHE A 67 6.992 -6.477 1.275 1.00 0.00 C ATOM 89 CD2 PHE A 67 8.858 -7.802 1.934 1.00 0.00 C ATOM 90 CE1 PHE A 67 7.643 -5.340 1.711 1.00 0.00 C ATOM 91 CE2 PHE A 67 9.518 -6.674 2.365 1.00 0.00 C ATOM 92 CZ PHE A 67 8.912 -5.440 2.259 1.00 0.00 C ATOM 0 H PHE A 67 6.173 -9.224 3.219 1.00 0.00 H new ATOM 0 HA PHE A 67 4.925 -8.107 0.896 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.397 -9.829 1.318 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.989 -9.016 -0.179 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.005 -6.396 0.844 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.336 -8.766 2.026 1.00 0.00 H new ATOM 0 HE1 PHE A 67 7.165 -4.376 1.625 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.509 -6.755 2.786 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.425 -4.554 2.602 1.00 0.00 H new ATOM 102 N SER A 68 4.564 -11.244 1.463 1.00 0.00 N ATOM 103 CA SER A 68 3.927 -12.468 0.996 1.00 0.00 C ATOM 104 C SER A 68 2.461 -12.228 0.672 1.00 0.00 C ATOM 105 O SER A 68 1.996 -12.559 -0.413 1.00 0.00 O ATOM 106 CB SER A 68 4.061 -13.558 2.047 1.00 0.00 C ATOM 107 OG SER A 68 3.432 -14.757 1.629 1.00 0.00 O ATOM 0 H SER A 68 4.854 -11.266 2.441 1.00 0.00 H new ATOM 0 HA SER A 68 4.428 -12.789 0.083 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.116 -13.748 2.244 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.618 -13.220 2.983 1.00 0.00 H new ATOM 0 HG SER A 68 3.536 -15.440 2.324 1.00 0.00 H new ATOM 113 N MET A 69 1.734 -11.638 1.609 1.00 0.00 N ATOM 114 CA MET A 69 0.337 -11.344 1.383 1.00 0.00 C ATOM 115 C MET A 69 0.207 -10.485 0.132 1.00 0.00 C ATOM 116 O MET A 69 -0.699 -10.677 -0.675 1.00 0.00 O ATOM 117 CB MET A 69 -0.265 -10.626 2.584 1.00 0.00 C ATOM 118 CG MET A 69 0.626 -9.525 3.101 1.00 0.00 C ATOM 119 SD MET A 69 -0.276 -8.202 3.911 1.00 0.00 S ATOM 120 CE MET A 69 1.052 -7.026 4.119 1.00 0.00 C ATOM 0 H MET A 69 2.089 -11.358 2.523 1.00 0.00 H new ATOM 0 HA MET A 69 -0.208 -12.278 1.244 1.00 0.00 H new ATOM 0 HB2 MET A 69 -1.232 -10.207 2.306 1.00 0.00 H new ATOM 0 HB3 MET A 69 -0.447 -11.347 3.381 1.00 0.00 H new ATOM 0 HG2 MET A 69 1.344 -9.948 3.803 1.00 0.00 H new ATOM 0 HG3 MET A 69 1.198 -9.110 2.271 1.00 0.00 H new ATOM 0 HE1 MET A 69 0.703 -6.186 4.720 1.00 0.00 H new ATOM 0 HE2 MET A 69 1.890 -7.509 4.622 1.00 0.00 H new ATOM 0 HE3 MET A 69 1.374 -6.664 3.142 1.00 0.00 H new ATOM 130 N LEU A 70 1.152 -9.557 -0.037 1.00 0.00 N ATOM 131 CA LEU A 70 1.173 -8.689 -1.201 1.00 0.00 C ATOM 132 C LEU A 70 1.345 -9.539 -2.435 1.00 0.00 C ATOM 133 O LEU A 70 0.785 -9.264 -3.488 1.00 0.00 O ATOM 134 CB LEU A 70 2.316 -7.686 -1.073 1.00 0.00 C ATOM 135 CG LEU A 70 2.276 -6.880 0.209 1.00 0.00 C ATOM 136 CD1 LEU A 70 3.545 -6.070 0.383 1.00 0.00 C ATOM 137 CD2 LEU A 70 1.062 -5.983 0.187 1.00 0.00 C ATOM 0 H LEU A 70 1.912 -9.393 0.624 1.00 0.00 H new ATOM 0 HA LEU A 70 0.238 -8.134 -1.275 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.265 -8.220 -1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.286 -7.003 -1.922 1.00 0.00 H new ATOM 0 HG LEU A 70 2.208 -7.559 1.059 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.489 -5.501 1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.403 -6.741 0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.657 -5.384 -0.457 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.025 -5.399 1.106 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.122 -5.310 -0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.161 -6.592 0.107 1.00 0.00 H new ATOM 149 N ASP A 71 2.115 -10.594 -2.269 1.00 0.00 N ATOM 150 CA ASP A 71 2.372 -11.537 -3.333 1.00 0.00 C ATOM 151 C ASP A 71 1.061 -12.155 -3.797 1.00 0.00 C ATOM 152 O ASP A 71 0.871 -12.427 -4.983 1.00 0.00 O ATOM 153 CB ASP A 71 3.328 -12.616 -2.822 1.00 0.00 C ATOM 154 CG ASP A 71 3.824 -13.539 -3.916 1.00 0.00 C ATOM 155 OD1 ASP A 71 3.434 -13.342 -5.085 1.00 0.00 O ATOM 156 OD2 ASP A 71 4.608 -14.457 -3.602 1.00 0.00 O ATOM 0 H ASP A 71 2.580 -10.821 -1.390 1.00 0.00 H new ATOM 0 HA ASP A 71 2.831 -11.029 -4.181 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.183 -12.138 -2.343 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.824 -13.207 -2.058 1.00 0.00 H new ATOM 161 N GLN A 72 0.162 -12.380 -2.846 1.00 0.00 N ATOM 162 CA GLN A 72 -1.131 -12.973 -3.142 1.00 0.00 C ATOM 163 C GLN A 72 -2.102 -11.970 -3.759 1.00 0.00 C ATOM 164 O GLN A 72 -2.879 -12.309 -4.648 1.00 0.00 O ATOM 165 CB GLN A 72 -1.738 -13.575 -1.877 1.00 0.00 C ATOM 166 CG GLN A 72 -3.038 -14.320 -2.124 1.00 0.00 C ATOM 167 CD GLN A 72 -3.624 -14.913 -0.857 1.00 0.00 C ATOM 168 OE1 GLN A 72 -3.916 -14.196 0.100 1.00 0.00 O ATOM 169 NE2 GLN A 72 -3.802 -16.229 -0.847 1.00 0.00 N ATOM 0 H GLN A 72 0.308 -12.159 -1.861 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.962 -13.759 -3.878 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -1.017 -14.258 -1.427 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.917 -12.778 -1.155 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -3.763 -13.639 -2.570 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.863 -15.117 -2.846 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -3.546 -16.785 -1.663 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -4.195 -16.684 -0.023 1.00 0.00 H new ATOM 178 N ARG A 73 -2.055 -10.744 -3.275 1.00 0.00 N ATOM 179 CA ARG A 73 -2.933 -9.687 -3.773 1.00 0.00 C ATOM 180 C ARG A 73 -2.486 -9.207 -5.142 1.00 0.00 C ATOM 181 O ARG A 73 -3.301 -8.950 -6.028 1.00 0.00 O ATOM 182 CB ARG A 73 -2.935 -8.509 -2.807 1.00 0.00 C ATOM 183 CG ARG A 73 -3.840 -8.692 -1.593 1.00 0.00 C ATOM 184 CD ARG A 73 -3.435 -9.890 -0.755 1.00 0.00 C ATOM 185 NE ARG A 73 -4.296 -10.072 0.413 1.00 0.00 N ATOM 186 CZ ARG A 73 -5.586 -10.395 0.348 1.00 0.00 C ATOM 187 NH1 ARG A 73 -6.173 -10.583 -0.826 1.00 0.00 N ATOM 188 NH2 ARG A 73 -6.290 -10.534 1.463 1.00 0.00 N ATOM 0 H ARG A 73 -1.418 -10.448 -2.535 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.939 -10.099 -3.855 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.916 -8.336 -2.462 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.246 -7.614 -3.345 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.808 -7.792 -0.978 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.871 -8.814 -1.925 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.469 -10.789 -1.371 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.403 -9.767 -0.426 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.882 -9.943 1.336 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.636 -10.480 -1.687 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.162 -10.830 -0.868 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.843 -10.393 2.369 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.278 -10.781 1.415 1.00 0.00 H new ATOM 202 N PHE A 74 -1.179 -9.080 -5.293 1.00 0.00 N ATOM 203 CA PHE A 74 -0.582 -8.620 -6.534 1.00 0.00 C ATOM 204 C PHE A 74 -0.715 -9.676 -7.619 1.00 0.00 C ATOM 205 O PHE A 74 -0.615 -9.376 -8.809 1.00 0.00 O ATOM 206 CB PHE A 74 0.898 -8.307 -6.308 1.00 0.00 C ATOM 207 CG PHE A 74 1.172 -7.134 -5.400 1.00 0.00 C ATOM 208 CD1 PHE A 74 0.145 -6.441 -4.763 1.00 0.00 C ATOM 209 CD2 PHE A 74 2.476 -6.724 -5.190 1.00 0.00 C ATOM 210 CE1 PHE A 74 0.427 -5.369 -3.939 1.00 0.00 C ATOM 211 CE2 PHE A 74 2.758 -5.653 -4.368 1.00 0.00 C ATOM 212 CZ PHE A 74 1.733 -4.977 -3.744 1.00 0.00 C ATOM 0 H PHE A 74 -0.503 -9.293 -4.560 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.105 -7.720 -6.856 1.00 0.00 H new ATOM 0 HB2 PHE A 74 1.381 -9.191 -5.890 1.00 0.00 H new ATOM 0 HB3 PHE A 74 1.365 -8.116 -7.274 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -0.880 -6.745 -4.915 1.00 0.00 H new ATOM 0 HD2 PHE A 74 3.284 -7.250 -5.676 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -0.376 -4.839 -3.448 1.00 0.00 H new ATOM 0 HE2 PHE A 74 3.782 -5.345 -4.214 1.00 0.00 H new ATOM 0 HZ PHE A 74 1.954 -4.138 -3.101 1.00 0.00 H new ATOM 393 N THR A 89 17.876 -5.011 0.845 1.00 0.00 N ATOM 394 CA THR A 89 16.482 -4.921 1.247 1.00 0.00 C ATOM 395 C THR A 89 15.684 -4.138 0.207 1.00 0.00 C ATOM 396 O THR A 89 14.542 -4.474 -0.106 1.00 0.00 O ATOM 397 CB THR A 89 16.341 -4.241 2.618 1.00 0.00 C ATOM 398 OG1 THR A 89 16.978 -5.032 3.628 1.00 0.00 O ATOM 399 CG2 THR A 89 14.880 -4.040 2.966 1.00 0.00 C ATOM 0 HA THR A 89 16.091 -5.936 1.321 1.00 0.00 H new ATOM 0 HB THR A 89 16.825 -3.266 2.570 1.00 0.00 H new ATOM 0 HG1 THR A 89 17.760 -5.482 3.246 1.00 0.00 H new ATOM 0 HG21 THR A 89 14.801 -3.557 3.940 1.00 0.00 H new ATOM 0 HG22 THR A 89 14.409 -3.411 2.210 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.377 -5.007 2.998 1.00 0.00 H new ATOM 407 N GLU A 90 16.312 -3.089 -0.315 1.00 0.00 N ATOM 408 CA GLU A 90 15.708 -2.224 -1.322 1.00 0.00 C ATOM 409 C GLU A 90 15.030 -3.018 -2.428 1.00 0.00 C ATOM 410 O GLU A 90 13.857 -2.810 -2.709 1.00 0.00 O ATOM 411 CB GLU A 90 16.786 -1.343 -1.946 1.00 0.00 C ATOM 412 CG GLU A 90 17.277 -0.232 -1.035 1.00 0.00 C ATOM 413 CD GLU A 90 18.353 0.621 -1.678 1.00 0.00 C ATOM 414 OE1 GLU A 90 18.073 1.236 -2.729 1.00 0.00 O ATOM 415 OE2 GLU A 90 19.474 0.673 -1.132 1.00 0.00 O ATOM 0 H GLU A 90 17.258 -2.814 -0.050 1.00 0.00 H new ATOM 0 HA GLU A 90 14.951 -1.621 -0.822 1.00 0.00 H new ATOM 0 HB2 GLU A 90 17.633 -1.968 -2.229 1.00 0.00 H new ATOM 0 HB3 GLU A 90 16.395 -0.902 -2.863 1.00 0.00 H new ATOM 0 HG2 GLU A 90 16.435 0.402 -0.756 1.00 0.00 H new ATOM 0 HG3 GLU A 90 17.666 -0.668 -0.115 1.00 0.00 H new ATOM 422 N GLU A 91 15.788 -3.903 -3.065 1.00 0.00 N ATOM 423 CA GLU A 91 15.272 -4.714 -4.172 1.00 0.00 C ATOM 424 C GLU A 91 13.829 -5.141 -3.941 1.00 0.00 C ATOM 425 O GLU A 91 12.975 -4.976 -4.813 1.00 0.00 O ATOM 426 CB GLU A 91 16.161 -5.942 -4.401 1.00 0.00 C ATOM 427 CG GLU A 91 16.265 -6.861 -3.195 1.00 0.00 C ATOM 428 CD GLU A 91 17.155 -8.061 -3.452 1.00 0.00 C ATOM 429 OE1 GLU A 91 18.354 -7.860 -3.741 1.00 0.00 O ATOM 430 OE2 GLU A 91 16.653 -9.201 -3.365 1.00 0.00 O ATOM 0 H GLU A 91 16.766 -4.081 -2.836 1.00 0.00 H new ATOM 0 HA GLU A 91 15.291 -4.091 -5.066 1.00 0.00 H new ATOM 0 HB2 GLU A 91 15.769 -6.510 -5.245 1.00 0.00 H new ATOM 0 HB3 GLU A 91 17.161 -5.608 -4.678 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.655 -6.299 -2.347 1.00 0.00 H new ATOM 0 HG3 GLU A 91 15.269 -7.205 -2.918 1.00 0.00 H new ATOM 437 N LYS A 92 13.560 -5.657 -2.761 1.00 0.00 N ATOM 438 CA LYS A 92 12.212 -6.075 -2.401 1.00 0.00 C ATOM 439 C LYS A 92 11.346 -4.831 -2.250 1.00 0.00 C ATOM 440 O LYS A 92 10.292 -4.699 -2.867 1.00 0.00 O ATOM 441 CB LYS A 92 12.245 -6.871 -1.090 1.00 0.00 C ATOM 442 CG LYS A 92 10.975 -7.629 -0.768 1.00 0.00 C ATOM 443 CD LYS A 92 11.236 -8.761 0.218 1.00 0.00 C ATOM 444 CE LYS A 92 12.051 -9.890 -0.403 1.00 0.00 C ATOM 445 NZ LYS A 92 13.450 -9.479 -0.708 1.00 0.00 N ATOM 0 H LYS A 92 14.256 -5.800 -2.029 1.00 0.00 H new ATOM 0 HA LYS A 92 11.796 -6.717 -3.177 1.00 0.00 H new ATOM 0 HB2 LYS A 92 13.072 -7.580 -1.134 1.00 0.00 H new ATOM 0 HB3 LYS A 92 12.457 -6.184 -0.271 1.00 0.00 H new ATOM 0 HG2 LYS A 92 10.237 -6.944 -0.350 1.00 0.00 H new ATOM 0 HG3 LYS A 92 10.550 -8.035 -1.686 1.00 0.00 H new ATOM 0 HD2 LYS A 92 11.765 -8.369 1.087 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.285 -9.156 0.575 1.00 0.00 H new ATOM 0 HE2 LYS A 92 12.065 -10.741 0.278 1.00 0.00 H new ATOM 0 HE3 LYS A 92 11.565 -10.224 -1.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 14.078 -10.305 -0.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 13.496 -9.094 -1.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 13.754 -8.751 -0.030 1.00 0.00 H new ATOM 459 N LEU A 93 11.836 -3.908 -1.437 1.00 0.00 N ATOM 460 CA LEU A 93 11.161 -2.640 -1.184 1.00 0.00 C ATOM 461 C LEU A 93 10.895 -1.858 -2.471 1.00 0.00 C ATOM 462 O LEU A 93 10.061 -0.957 -2.489 1.00 0.00 O ATOM 463 CB LEU A 93 12.009 -1.799 -0.229 1.00 0.00 C ATOM 464 CG LEU A 93 11.763 -2.052 1.259 1.00 0.00 C ATOM 465 CD1 LEU A 93 11.668 -3.542 1.548 1.00 0.00 C ATOM 466 CD2 LEU A 93 12.856 -1.400 2.091 1.00 0.00 C ATOM 0 H LEU A 93 12.715 -4.015 -0.932 1.00 0.00 H new ATOM 0 HA LEU A 93 10.192 -2.861 -0.735 1.00 0.00 H new ATOM 0 HB2 LEU A 93 13.061 -1.986 -0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.824 -0.745 -0.437 1.00 0.00 H new ATOM 0 HG LEU A 93 10.809 -1.602 1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.493 -3.696 2.613 1.00 0.00 H new ATOM 0 HD12 LEU A 93 10.843 -3.971 0.979 1.00 0.00 H new ATOM 0 HD13 LEU A 93 12.600 -4.029 1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.669 -1.588 3.148 1.00 0.00 H new ATOM 0 HD22 LEU A 93 13.823 -1.819 1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 93 12.860 -0.325 1.908 1.00 0.00 H new ATOM 478 N ARG A 94 11.610 -2.187 -3.542 1.00 0.00 N ATOM 479 CA ARG A 94 11.440 -1.489 -4.811 1.00 0.00 C ATOM 480 C ARG A 94 10.083 -1.794 -5.442 1.00 0.00 C ATOM 481 O ARG A 94 9.386 -0.887 -5.894 1.00 0.00 O ATOM 482 CB ARG A 94 12.562 -1.858 -5.786 1.00 0.00 C ATOM 483 CG ARG A 94 13.935 -1.363 -5.354 1.00 0.00 C ATOM 484 CD ARG A 94 15.006 -1.733 -6.367 1.00 0.00 C ATOM 485 NE ARG A 94 16.331 -1.262 -5.968 1.00 0.00 N ATOM 486 CZ ARG A 94 16.652 0.023 -5.835 1.00 0.00 C ATOM 487 NH1 ARG A 94 15.754 0.967 -6.084 1.00 0.00 N ATOM 488 NH2 ARG A 94 17.878 0.365 -5.459 1.00 0.00 N ATOM 0 H ARG A 94 12.310 -2.929 -3.557 1.00 0.00 H new ATOM 0 HA ARG A 94 11.486 -0.420 -4.602 1.00 0.00 H new ATOM 0 HB2 ARG A 94 12.594 -2.942 -5.896 1.00 0.00 H new ATOM 0 HB3 ARG A 94 12.329 -1.445 -6.767 1.00 0.00 H new ATOM 0 HG2 ARG A 94 13.910 -0.280 -5.229 1.00 0.00 H new ATOM 0 HG3 ARG A 94 14.188 -1.790 -4.384 1.00 0.00 H new ATOM 0 HD2 ARG A 94 15.029 -2.816 -6.489 1.00 0.00 H new ATOM 0 HD3 ARG A 94 14.748 -1.308 -7.337 1.00 0.00 H new ATOM 0 HE ARG A 94 17.052 -1.959 -5.780 1.00 0.00 H new ATOM 0 HH11 ARG A 94 14.812 0.710 -6.379 1.00 0.00 H new ATOM 0 HH12 ARG A 94 16.005 1.950 -5.980 1.00 0.00 H new ATOM 0 HH21 ARG A 94 18.574 -0.357 -5.272 1.00 0.00 H new ATOM 0 HH22 ARG A 94 18.124 1.350 -5.357 1.00 0.00 H new ATOM 502 N ARG A 95 9.723 -3.073 -5.483 1.00 0.00 N ATOM 503 CA ARG A 95 8.454 -3.492 -6.076 1.00 0.00 C ATOM 504 C ARG A 95 7.290 -3.391 -5.086 1.00 0.00 C ATOM 505 O ARG A 95 6.294 -2.728 -5.359 1.00 0.00 O ATOM 506 CB ARG A 95 8.575 -4.922 -6.616 1.00 0.00 C ATOM 507 CG ARG A 95 9.207 -5.899 -5.641 1.00 0.00 C ATOM 508 CD ARG A 95 9.365 -7.278 -6.261 1.00 0.00 C ATOM 509 NE ARG A 95 10.225 -7.252 -7.442 1.00 0.00 N ATOM 510 CZ ARG A 95 10.510 -8.327 -8.172 1.00 0.00 C ATOM 511 NH1 ARG A 95 10.001 -9.508 -7.847 1.00 0.00 N ATOM 512 NH2 ARG A 95 11.304 -8.223 -9.230 1.00 0.00 N ATOM 0 H ARG A 95 10.289 -3.837 -5.114 1.00 0.00 H new ATOM 0 HA ARG A 95 8.235 -2.811 -6.898 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.582 -5.283 -6.884 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.166 -4.905 -7.532 1.00 0.00 H new ATOM 0 HG2 ARG A 95 10.182 -5.525 -5.329 1.00 0.00 H new ATOM 0 HG3 ARG A 95 8.591 -5.970 -4.744 1.00 0.00 H new ATOM 0 HD2 ARG A 95 9.784 -7.962 -5.523 1.00 0.00 H new ATOM 0 HD3 ARG A 95 8.384 -7.667 -6.535 1.00 0.00 H new ATOM 0 HE ARG A 95 10.630 -6.359 -7.723 1.00 0.00 H new ATOM 0 HH11 ARG A 95 9.389 -9.594 -7.035 1.00 0.00 H new ATOM 0 HH12 ARG A 95 10.221 -10.330 -8.409 1.00 0.00 H new ATOM 0 HH21 ARG A 95 11.697 -7.317 -9.485 1.00 0.00 H new ATOM 0 HH22 ARG A 95 11.521 -9.049 -9.788 1.00 0.00 H new ATOM 526 N TYR A 96 7.421 -4.059 -3.947 1.00 0.00 N ATOM 527 CA TYR A 96 6.396 -4.068 -2.918 1.00 0.00 C ATOM 528 C TYR A 96 5.957 -2.662 -2.518 1.00 0.00 C ATOM 529 O TYR A 96 4.771 -2.423 -2.320 1.00 0.00 O ATOM 530 CB TYR A 96 6.927 -4.849 -1.725 1.00 0.00 C ATOM 531 CG TYR A 96 7.134 -6.305 -2.058 1.00 0.00 C ATOM 532 CD1 TYR A 96 6.095 -7.221 -1.957 1.00 0.00 C ATOM 533 CD2 TYR A 96 8.361 -6.756 -2.507 1.00 0.00 C ATOM 534 CE1 TYR A 96 6.282 -8.549 -2.290 1.00 0.00 C ATOM 535 CE2 TYR A 96 8.561 -8.074 -2.846 1.00 0.00 C ATOM 536 CZ TYR A 96 7.519 -8.972 -2.735 1.00 0.00 C ATOM 537 OH TYR A 96 7.711 -10.293 -3.072 1.00 0.00 O ATOM 0 H TYR A 96 8.246 -4.611 -3.713 1.00 0.00 H new ATOM 0 HA TYR A 96 5.502 -4.551 -3.312 1.00 0.00 H new ATOM 0 HB2 TYR A 96 7.870 -4.413 -1.396 1.00 0.00 H new ATOM 0 HB3 TYR A 96 6.228 -4.762 -0.893 1.00 0.00 H new ATOM 0 HD1 TYR A 96 5.126 -6.890 -1.613 1.00 0.00 H new ATOM 0 HD2 TYR A 96 9.181 -6.058 -2.594 1.00 0.00 H new ATOM 0 HE1 TYR A 96 5.466 -9.251 -2.203 1.00 0.00 H new ATOM 0 HE2 TYR A 96 9.528 -8.404 -3.197 1.00 0.00 H new ATOM 0 HH TYR A 96 8.636 -10.424 -3.367 1.00 0.00 H new ATOM 547 N LEU A 97 6.894 -1.730 -2.400 1.00 0.00 N ATOM 548 CA LEU A 97 6.526 -0.372 -2.021 1.00 0.00 C ATOM 549 C LEU A 97 5.765 0.327 -3.139 1.00 0.00 C ATOM 550 O LEU A 97 4.607 0.704 -2.962 1.00 0.00 O ATOM 551 CB LEU A 97 7.765 0.452 -1.651 1.00 0.00 C ATOM 552 CG LEU A 97 7.484 1.894 -1.201 1.00 0.00 C ATOM 553 CD1 LEU A 97 6.925 2.728 -2.341 1.00 0.00 C ATOM 554 CD2 LEU A 97 6.519 1.908 -0.034 1.00 0.00 C ATOM 0 H LEU A 97 7.890 -1.883 -2.557 1.00 0.00 H new ATOM 0 HA LEU A 97 5.877 -0.447 -1.149 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.298 -0.063 -0.852 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.432 0.481 -2.512 1.00 0.00 H new ATOM 0 HG LEU A 97 8.431 2.332 -0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.737 3.743 -1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 97 7.644 2.754 -3.159 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.992 2.286 -2.692 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.332 2.938 0.271 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.580 1.442 -0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.949 1.355 0.801 1.00 0.00 H new ATOM 566 N LYS A 98 6.423 0.525 -4.281 1.00 0.00 N ATOM 567 CA LYS A 98 5.796 1.213 -5.405 1.00 0.00 C ATOM 568 C LYS A 98 4.422 0.631 -5.677 1.00 0.00 C ATOM 569 O LYS A 98 3.478 1.352 -6.002 1.00 0.00 O ATOM 570 CB LYS A 98 6.669 1.126 -6.663 1.00 0.00 C ATOM 571 CG LYS A 98 6.819 -0.281 -7.218 1.00 0.00 C ATOM 572 CD LYS A 98 7.672 -0.290 -8.478 1.00 0.00 C ATOM 573 CE LYS A 98 7.805 -1.691 -9.056 1.00 0.00 C ATOM 574 NZ LYS A 98 6.484 -2.263 -9.435 1.00 0.00 N ATOM 0 H LYS A 98 7.382 0.221 -4.450 1.00 0.00 H new ATOM 0 HA LYS A 98 5.689 2.265 -5.140 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.240 1.766 -7.435 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.658 1.522 -6.434 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.273 -0.925 -6.465 1.00 0.00 H new ATOM 0 HG3 LYS A 98 5.835 -0.694 -7.440 1.00 0.00 H new ATOM 0 HD2 LYS A 98 7.228 0.371 -9.223 1.00 0.00 H new ATOM 0 HD3 LYS A 98 8.662 0.106 -8.250 1.00 0.00 H new ATOM 0 HE2 LYS A 98 8.453 -1.662 -9.932 1.00 0.00 H new ATOM 0 HE3 LYS A 98 8.286 -2.341 -8.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 6.255 -3.056 -8.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 5.751 -1.530 -9.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 6.522 -2.603 -10.417 1.00 0.00 H new ATOM 588 N ARG A 99 4.320 -0.679 -5.533 1.00 0.00 N ATOM 589 CA ARG A 99 3.071 -1.374 -5.750 1.00 0.00 C ATOM 590 C ARG A 99 2.055 -1.056 -4.677 1.00 0.00 C ATOM 591 O ARG A 99 1.015 -0.485 -4.969 1.00 0.00 O ATOM 592 CB ARG A 99 3.320 -2.876 -5.817 1.00 0.00 C ATOM 593 CG ARG A 99 4.070 -3.319 -7.065 1.00 0.00 C ATOM 594 CD ARG A 99 3.336 -2.911 -8.329 1.00 0.00 C ATOM 595 NE ARG A 99 3.966 -3.454 -9.530 1.00 0.00 N ATOM 596 CZ ARG A 99 3.501 -3.258 -10.760 1.00 0.00 C ATOM 597 NH1 ARG A 99 2.404 -2.538 -10.952 1.00 0.00 N ATOM 598 NH2 ARG A 99 4.135 -3.782 -11.801 1.00 0.00 N ATOM 0 H ARG A 99 5.096 -1.284 -5.264 1.00 0.00 H new ATOM 0 HA ARG A 99 2.658 -1.032 -6.699 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.886 -3.181 -4.937 1.00 0.00 H new ATOM 0 HB3 ARG A 99 2.363 -3.396 -5.776 1.00 0.00 H new ATOM 0 HG2 ARG A 99 5.068 -2.881 -7.065 1.00 0.00 H new ATOM 0 HG3 ARG A 99 4.196 -4.402 -7.050 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.303 -3.255 -8.275 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.307 -1.823 -8.396 1.00 0.00 H new ATOM 0 HE ARG A 99 4.810 -4.015 -9.419 1.00 0.00 H new ATOM 0 HH11 ARG A 99 1.914 -2.132 -10.155 1.00 0.00 H new ATOM 0 HH12 ARG A 99 2.050 -2.390 -11.897 1.00 0.00 H new ATOM 0 HH21 ARG A 99 4.980 -4.336 -11.658 1.00 0.00 H new ATOM 0 HH22 ARG A 99 3.778 -3.631 -12.744 1.00 0.00 H new ATOM 612 N THR A 100 2.342 -1.438 -3.445 1.00 0.00 N ATOM 613 CA THR A 100 1.411 -1.209 -2.357 1.00 0.00 C ATOM 614 C THR A 100 0.990 0.244 -2.213 1.00 0.00 C ATOM 615 O THR A 100 -0.085 0.523 -1.695 1.00 0.00 O ATOM 616 CB THR A 100 1.943 -1.703 -1.018 1.00 0.00 C ATOM 617 OG1 THR A 100 3.084 -0.934 -0.623 1.00 0.00 O ATOM 618 CG2 THR A 100 2.317 -3.170 -1.079 1.00 0.00 C ATOM 0 H THR A 100 3.207 -1.905 -3.175 1.00 0.00 H new ATOM 0 HA THR A 100 0.532 -1.792 -2.632 1.00 0.00 H new ATOM 0 HB THR A 100 1.148 -1.581 -0.282 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.878 -1.261 -1.095 1.00 0.00 H new ATOM 0 HG21 THR A 100 2.693 -3.490 -0.107 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.438 -3.759 -1.340 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.090 -3.317 -1.833 1.00 0.00 H new ATOM 626 N VAL A 101 1.818 1.169 -2.661 1.00 0.00 N ATOM 627 CA VAL A 101 1.481 2.575 -2.562 1.00 0.00 C ATOM 628 C VAL A 101 0.317 2.907 -3.467 1.00 0.00 C ATOM 629 O VAL A 101 -0.649 3.542 -3.051 1.00 0.00 O ATOM 630 CB VAL A 101 2.688 3.422 -2.947 1.00 0.00 C ATOM 631 CG1 VAL A 101 2.301 4.866 -3.193 1.00 0.00 C ATOM 632 CG2 VAL A 101 3.740 3.304 -1.872 1.00 0.00 C ATOM 0 H VAL A 101 2.721 0.974 -3.093 1.00 0.00 H new ATOM 0 HA VAL A 101 1.196 2.793 -1.533 1.00 0.00 H new ATOM 0 HB VAL A 101 3.097 3.049 -3.886 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.187 5.439 -3.465 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.574 4.915 -4.004 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.862 5.285 -2.287 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.606 3.908 -2.142 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.333 3.657 -0.924 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.042 2.262 -1.771 1.00 0.00 H new ATOM 642 N THR A 102 0.404 2.450 -4.702 1.00 0.00 N ATOM 643 CA THR A 102 -0.651 2.666 -5.661 1.00 0.00 C ATOM 644 C THR A 102 -1.774 1.679 -5.381 1.00 0.00 C ATOM 645 O THR A 102 -2.951 1.987 -5.551 1.00 0.00 O ATOM 646 CB THR A 102 -0.121 2.479 -7.085 1.00 0.00 C ATOM 647 OG1 THR A 102 0.771 3.548 -7.424 1.00 0.00 O ATOM 648 CG2 THR A 102 -1.253 2.408 -8.094 1.00 0.00 C ATOM 0 H THR A 102 1.201 1.925 -5.061 1.00 0.00 H new ATOM 0 HA THR A 102 -1.027 3.685 -5.571 1.00 0.00 H new ATOM 0 HB THR A 102 0.420 1.533 -7.118 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.106 3.418 -8.336 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.841 2.275 -9.094 1.00 0.00 H new ATOM 0 HG22 THR A 102 -1.902 1.566 -7.854 1.00 0.00 H new ATOM 0 HG23 THR A 102 -1.830 3.332 -8.059 1.00 0.00 H new ATOM 656 N GLU A 103 -1.381 0.495 -4.912 1.00 0.00 N ATOM 657 CA GLU A 103 -2.300 -0.550 -4.552 1.00 0.00 C ATOM 658 C GLU A 103 -3.208 -0.045 -3.455 1.00 0.00 C ATOM 659 O GLU A 103 -4.421 -0.253 -3.477 1.00 0.00 O ATOM 660 CB GLU A 103 -1.506 -1.758 -4.055 1.00 0.00 C ATOM 661 CG GLU A 103 -0.793 -2.532 -5.142 1.00 0.00 C ATOM 662 CD GLU A 103 -1.748 -3.253 -6.077 1.00 0.00 C ATOM 663 OE1 GLU A 103 -2.558 -2.571 -6.740 1.00 0.00 O ATOM 664 OE2 GLU A 103 -1.685 -4.497 -6.147 1.00 0.00 O ATOM 0 H GLU A 103 -0.402 0.245 -4.775 1.00 0.00 H new ATOM 0 HA GLU A 103 -2.900 -0.842 -5.414 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.770 -1.418 -3.326 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.184 -2.432 -3.532 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -0.173 -1.848 -5.721 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -0.123 -3.259 -4.683 1.00 0.00 H new ATOM 671 N LEU A 104 -2.594 0.645 -2.502 1.00 0.00 N ATOM 672 CA LEU A 104 -3.323 1.217 -1.391 1.00 0.00 C ATOM 673 C LEU A 104 -4.038 2.462 -1.879 1.00 0.00 C ATOM 674 O LEU A 104 -5.161 2.747 -1.480 1.00 0.00 O ATOM 675 CB LEU A 104 -2.366 1.515 -0.220 1.00 0.00 C ATOM 676 CG LEU A 104 -1.548 2.803 -0.285 1.00 0.00 C ATOM 677 CD1 LEU A 104 -2.395 4.011 0.057 1.00 0.00 C ATOM 678 CD2 LEU A 104 -0.385 2.708 0.675 1.00 0.00 C ATOM 0 H LEU A 104 -1.589 0.819 -2.482 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.066 0.513 -1.016 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.954 1.537 0.697 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.671 0.680 -0.133 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.181 2.925 -1.304 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.783 4.912 0.002 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.220 4.089 -0.651 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.792 3.903 1.067 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.200 3.627 0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.760 2.566 1.688 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.246 1.862 0.400 1.00 0.00 H new ATOM 690 N ASP A 105 -3.373 3.180 -2.779 1.00 0.00 N ATOM 691 CA ASP A 105 -3.925 4.385 -3.377 1.00 0.00 C ATOM 692 C ASP A 105 -5.096 4.028 -4.278 1.00 0.00 C ATOM 693 O ASP A 105 -5.881 4.887 -4.666 1.00 0.00 O ATOM 694 CB ASP A 105 -2.854 5.099 -4.204 1.00 0.00 C ATOM 695 CG ASP A 105 -3.305 6.460 -4.703 1.00 0.00 C ATOM 696 OD1 ASP A 105 -4.213 6.511 -5.558 1.00 0.00 O ATOM 697 OD2 ASP A 105 -2.754 7.475 -4.232 1.00 0.00 O ATOM 0 H ASP A 105 -2.439 2.941 -3.112 1.00 0.00 H new ATOM 0 HA ASP A 105 -4.267 5.044 -2.579 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -1.955 5.219 -3.600 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -2.585 4.476 -5.057 1.00 0.00 H new ATOM 702 N SER A 106 -5.183 2.748 -4.621 1.00 0.00 N ATOM 703 CA SER A 106 -6.233 2.250 -5.496 1.00 0.00 C ATOM 704 C SER A 106 -7.454 1.828 -4.702 1.00 0.00 C ATOM 705 O SER A 106 -8.528 2.408 -4.834 1.00 0.00 O ATOM 706 CB SER A 106 -5.709 1.072 -6.320 1.00 0.00 C ATOM 707 OG SER A 106 -6.722 0.544 -7.160 1.00 0.00 O ATOM 0 H SER A 106 -4.531 2.031 -4.302 1.00 0.00 H new ATOM 0 HA SER A 106 -6.529 3.057 -6.166 1.00 0.00 H new ATOM 0 HB2 SER A 106 -4.863 1.396 -6.926 1.00 0.00 H new ATOM 0 HB3 SER A 106 -5.343 0.292 -5.652 1.00 0.00 H new ATOM 0 HG SER A 106 -6.360 -0.206 -7.677 1.00 0.00 H new ATOM 713 N VAL A 107 -7.274 0.818 -3.870 1.00 0.00 N ATOM 714 CA VAL A 107 -8.347 0.313 -3.037 1.00 0.00 C ATOM 715 C VAL A 107 -8.968 1.437 -2.240 1.00 0.00 C ATOM 716 O VAL A 107 -10.187 1.542 -2.120 1.00 0.00 O ATOM 717 CB VAL A 107 -7.810 -0.763 -2.097 1.00 0.00 C ATOM 718 CG1 VAL A 107 -7.388 -1.967 -2.900 1.00 0.00 C ATOM 719 CG2 VAL A 107 -6.642 -0.224 -1.305 1.00 0.00 C ATOM 0 H VAL A 107 -6.387 0.329 -3.754 1.00 0.00 H new ATOM 0 HA VAL A 107 -9.114 -0.123 -3.677 1.00 0.00 H new ATOM 0 HB VAL A 107 -8.594 -1.057 -1.399 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -7.004 -2.736 -2.229 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -8.246 -2.358 -3.447 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -6.608 -1.679 -3.605 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -6.266 -0.999 -0.637 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.850 0.082 -1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -6.966 0.635 -0.717 1.00 0.00 H new ATOM 729 N THR A 108 -8.108 2.285 -1.719 1.00 0.00 N ATOM 730 CA THR A 108 -8.535 3.439 -0.944 1.00 0.00 C ATOM 731 C THR A 108 -9.330 4.378 -1.811 1.00 0.00 C ATOM 732 O THR A 108 -10.240 5.072 -1.358 1.00 0.00 O ATOM 733 CB THR A 108 -7.313 4.187 -0.389 1.00 0.00 C ATOM 734 OG1 THR A 108 -7.659 4.895 0.807 1.00 0.00 O ATOM 735 CG2 THR A 108 -6.760 5.163 -1.415 1.00 0.00 C ATOM 0 H THR A 108 -7.096 2.198 -1.818 1.00 0.00 H new ATOM 0 HA THR A 108 -9.154 3.089 -0.118 1.00 0.00 H new ATOM 0 HB THR A 108 -6.546 3.447 -0.160 1.00 0.00 H new ATOM 0 HG1 THR A 108 -6.870 5.365 1.149 1.00 0.00 H new ATOM 0 HG21 THR A 108 -5.896 5.679 -0.997 1.00 0.00 H new ATOM 0 HG22 THR A 108 -6.459 4.618 -2.310 1.00 0.00 H new ATOM 0 HG23 THR A 108 -7.528 5.892 -1.674 1.00 0.00 H new ATOM 743 N ALA A 109 -8.939 4.400 -3.055 1.00 0.00 N ATOM 744 CA ALA A 109 -9.540 5.251 -4.040 1.00 0.00 C ATOM 745 C ALA A 109 -10.926 4.776 -4.455 1.00 0.00 C ATOM 746 O ALA A 109 -11.809 5.589 -4.725 1.00 0.00 O ATOM 747 CB ALA A 109 -8.604 5.313 -5.221 1.00 0.00 C ATOM 0 H ALA A 109 -8.183 3.818 -3.417 1.00 0.00 H new ATOM 0 HA ALA A 109 -9.689 6.244 -3.616 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -9.032 5.954 -5.991 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -7.644 5.719 -4.903 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -8.459 4.310 -5.623 1.00 0.00 H new ATOM 753 N ARG A 110 -11.113 3.464 -4.530 1.00 0.00 N ATOM 754 CA ARG A 110 -12.389 2.914 -4.934 1.00 0.00 C ATOM 755 C ARG A 110 -13.320 2.713 -3.748 1.00 0.00 C ATOM 756 O ARG A 110 -14.537 2.770 -3.886 1.00 0.00 O ATOM 757 CB ARG A 110 -12.192 1.599 -5.692 1.00 0.00 C ATOM 758 CG ARG A 110 -11.632 1.779 -7.098 1.00 0.00 C ATOM 759 CD ARG A 110 -10.264 2.449 -7.090 1.00 0.00 C ATOM 760 NE ARG A 110 -9.741 2.648 -8.439 1.00 0.00 N ATOM 761 CZ ARG A 110 -10.325 3.418 -9.356 1.00 0.00 C ATOM 762 NH1 ARG A 110 -11.439 4.078 -9.064 1.00 0.00 N ATOM 763 NH2 ARG A 110 -9.791 3.534 -10.563 1.00 0.00 N ATOM 0 H ARG A 110 -10.398 2.769 -4.316 1.00 0.00 H new ATOM 0 HA ARG A 110 -12.860 3.637 -5.600 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -11.519 0.959 -5.122 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -13.148 1.080 -5.755 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -11.556 0.806 -7.584 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -12.325 2.378 -7.689 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -10.335 3.412 -6.584 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -9.565 1.839 -6.517 1.00 0.00 H new ATOM 0 HE ARG A 110 -8.877 2.169 -8.694 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -11.851 3.997 -8.135 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -11.883 4.666 -9.769 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -8.932 3.033 -10.791 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -10.239 4.124 -11.264 1.00 0.00 H new ATOM 777 N LEU A 111 -12.725 2.478 -2.592 1.00 0.00 N ATOM 778 CA LEU A 111 -13.466 2.249 -1.350 1.00 0.00 C ATOM 779 C LEU A 111 -14.471 3.361 -1.083 1.00 0.00 C ATOM 780 O LEU A 111 -15.593 3.113 -0.642 1.00 0.00 O ATOM 781 CB LEU A 111 -12.486 2.155 -0.181 1.00 0.00 C ATOM 782 CG LEU A 111 -13.109 1.905 1.185 1.00 0.00 C ATOM 783 CD1 LEU A 111 -13.857 0.593 1.178 1.00 0.00 C ATOM 784 CD2 LEU A 111 -12.037 1.897 2.263 1.00 0.00 C ATOM 0 H LEU A 111 -11.712 2.439 -2.481 1.00 0.00 H new ATOM 0 HA LEU A 111 -14.018 1.315 -1.454 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.777 1.353 -0.389 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.914 3.082 -0.135 1.00 0.00 H new ATOM 0 HG LEU A 111 -13.811 2.710 1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -14.300 0.421 2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -14.645 0.627 0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -13.167 -0.218 0.945 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -12.499 1.717 3.234 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -11.315 1.108 2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -11.527 2.860 2.277 1.00 0.00 H new ATOM 796 N ARG A 112 -14.044 4.583 -1.341 1.00 0.00 N ATOM 797 CA ARG A 112 -14.865 5.759 -1.129 1.00 0.00 C ATOM 798 C ARG A 112 -16.175 5.669 -1.901 1.00 0.00 C ATOM 799 O ARG A 112 -17.213 6.155 -1.451 1.00 0.00 O ATOM 800 CB ARG A 112 -14.100 7.005 -1.567 1.00 0.00 C ATOM 801 CG ARG A 112 -13.718 6.974 -3.035 1.00 0.00 C ATOM 802 CD ARG A 112 -13.130 8.298 -3.495 1.00 0.00 C ATOM 803 NE ARG A 112 -13.920 9.446 -3.052 1.00 0.00 N ATOM 804 CZ ARG A 112 -15.152 9.712 -3.479 1.00 0.00 C ATOM 805 NH1 ARG A 112 -15.726 8.931 -4.381 1.00 0.00 N ATOM 806 NH2 ARG A 112 -15.804 10.767 -3.011 1.00 0.00 N ATOM 0 H ARG A 112 -13.114 4.788 -1.705 1.00 0.00 H new ATOM 0 HA ARG A 112 -15.100 5.820 -0.066 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -14.710 7.887 -1.374 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -13.198 7.103 -0.963 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -12.995 6.177 -3.205 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -14.598 6.740 -3.634 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -12.113 8.392 -3.114 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -13.065 8.304 -4.583 1.00 0.00 H new ATOM 0 HE ARG A 112 -13.501 10.082 -2.374 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -15.224 8.124 -4.750 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -16.670 9.137 -4.707 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -15.361 11.376 -2.323 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -16.748 10.970 -3.339 1.00 0.00 H new ATOM 820 N GLU A 113 -16.113 5.055 -3.075 1.00 0.00 N ATOM 821 CA GLU A 113 -17.264 4.901 -3.925 1.00 0.00 C ATOM 822 C GLU A 113 -17.961 3.599 -3.641 1.00 0.00 C ATOM 823 O GLU A 113 -19.172 3.468 -3.808 1.00 0.00 O ATOM 824 CB GLU A 113 -16.848 4.974 -5.386 1.00 0.00 C ATOM 825 CG GLU A 113 -16.330 6.337 -5.756 1.00 0.00 C ATOM 826 CD GLU A 113 -16.247 6.552 -7.255 1.00 0.00 C ATOM 827 OE1 GLU A 113 -15.517 5.793 -7.924 1.00 0.00 O ATOM 828 OE2 GLU A 113 -16.913 7.481 -7.759 1.00 0.00 O ATOM 0 H GLU A 113 -15.257 4.652 -3.457 1.00 0.00 H new ATOM 0 HA GLU A 113 -17.961 5.713 -3.718 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -16.078 4.228 -5.582 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -17.700 4.726 -6.019 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -16.979 7.097 -5.321 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -15.341 6.475 -5.319 1.00 0.00 H new ATOM 835 N VAL A 114 -17.172 2.633 -3.220 1.00 0.00 N ATOM 836 CA VAL A 114 -17.697 1.319 -2.916 1.00 0.00 C ATOM 837 C VAL A 114 -18.784 1.418 -1.861 1.00 0.00 C ATOM 838 O VAL A 114 -19.860 0.839 -2.000 1.00 0.00 O ATOM 839 CB VAL A 114 -16.598 0.366 -2.432 1.00 0.00 C ATOM 840 CG1 VAL A 114 -17.183 -0.991 -2.108 1.00 0.00 C ATOM 841 CG2 VAL A 114 -15.516 0.237 -3.478 1.00 0.00 C ATOM 0 H VAL A 114 -16.166 2.733 -3.081 1.00 0.00 H new ATOM 0 HA VAL A 114 -18.115 0.914 -3.838 1.00 0.00 H new ATOM 0 HB VAL A 114 -16.156 0.778 -1.525 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -16.391 -1.657 -1.766 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -17.933 -0.886 -1.324 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -17.648 -1.409 -3.001 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -14.743 -0.443 -3.120 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -15.946 -0.156 -4.400 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -15.077 1.216 -3.670 1.00 0.00 H new ATOM 851 N GLU A 115 -18.495 2.176 -0.814 1.00 0.00 N ATOM 852 CA GLU A 115 -19.444 2.384 0.265 1.00 0.00 C ATOM 853 C GLU A 115 -20.715 2.987 -0.277 1.00 0.00 C ATOM 854 O GLU A 115 -21.831 2.604 0.070 1.00 0.00 O ATOM 855 CB GLU A 115 -18.860 3.315 1.311 1.00 0.00 C ATOM 856 CG GLU A 115 -18.031 4.423 0.717 1.00 0.00 C ATOM 857 CD GLU A 115 -17.333 5.260 1.770 1.00 0.00 C ATOM 858 OE1 GLU A 115 -18.032 5.847 2.622 1.00 0.00 O ATOM 859 OE2 GLU A 115 -16.086 5.328 1.744 1.00 0.00 O ATOM 0 H GLU A 115 -17.605 2.659 -0.690 1.00 0.00 H new ATOM 0 HA GLU A 115 -19.661 1.419 0.723 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -19.671 3.749 1.896 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -18.244 2.737 2.000 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -17.286 3.994 0.047 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -18.671 5.066 0.113 1.00 0.00 H new ATOM 942 N ALA B 61 10.111 6.784 -13.735 1.00 0.00 N ATOM 943 CA ALA B 61 9.360 7.780 -12.927 1.00 0.00 C ATOM 944 C ALA B 61 9.933 7.883 -11.518 1.00 0.00 C ATOM 945 O ALA B 61 10.236 6.872 -10.886 1.00 0.00 O ATOM 946 CB ALA B 61 7.886 7.408 -12.870 1.00 0.00 C ATOM 0 HA ALA B 61 9.461 8.753 -13.407 1.00 0.00 H new ATOM 0 HB1 ALA B 61 7.347 8.146 -12.275 1.00 0.00 H new ATOM 0 HB2 ALA B 61 7.477 7.387 -13.880 1.00 0.00 H new ATOM 0 HB3 ALA B 61 7.776 6.424 -12.414 1.00 0.00 H new ATOM 954 N SER B 62 10.077 9.112 -11.032 1.00 0.00 N ATOM 955 CA SER B 62 10.611 9.345 -9.697 1.00 0.00 C ATOM 956 C SER B 62 9.743 8.670 -8.642 1.00 0.00 C ATOM 957 O SER B 62 8.518 8.789 -8.663 1.00 0.00 O ATOM 958 CB SER B 62 10.702 10.846 -9.413 1.00 0.00 C ATOM 959 OG SER B 62 11.546 11.493 -10.349 1.00 0.00 O ATOM 0 H SER B 62 9.831 9.960 -11.543 1.00 0.00 H new ATOM 0 HA SER B 62 11.611 8.914 -9.653 1.00 0.00 H new ATOM 0 HB2 SER B 62 9.706 11.287 -9.451 1.00 0.00 H new ATOM 0 HB3 SER B 62 11.083 11.006 -8.404 1.00 0.00 H new ATOM 0 HG SER B 62 11.586 12.451 -10.146 1.00 0.00 H new ATOM 965 N ASP B 63 10.386 7.964 -7.721 1.00 0.00 N ATOM 966 CA ASP B 63 9.676 7.271 -6.656 1.00 0.00 C ATOM 967 C ASP B 63 8.921 8.261 -5.776 1.00 0.00 C ATOM 968 O ASP B 63 7.811 7.979 -5.321 1.00 0.00 O ATOM 969 CB ASP B 63 10.656 6.456 -5.809 1.00 0.00 C ATOM 970 CG ASP B 63 11.381 5.395 -6.615 1.00 0.00 C ATOM 971 OD1 ASP B 63 11.120 5.290 -7.832 1.00 0.00 O ATOM 972 OD2 ASP B 63 12.210 4.668 -6.028 1.00 0.00 O ATOM 0 H ASP B 63 11.400 7.857 -7.691 1.00 0.00 H new ATOM 0 HA ASP B 63 8.953 6.594 -7.112 1.00 0.00 H new ATOM 0 HB2 ASP B 63 11.387 7.128 -5.359 1.00 0.00 H new ATOM 0 HB3 ASP B 63 10.115 5.979 -4.992 1.00 0.00 H new ATOM 977 N ASP B 64 9.532 9.420 -5.542 1.00 0.00 N ATOM 978 CA ASP B 64 8.926 10.461 -4.715 1.00 0.00 C ATOM 979 C ASP B 64 7.488 10.736 -5.139 1.00 0.00 C ATOM 980 O ASP B 64 6.627 10.993 -4.300 1.00 0.00 O ATOM 981 CB ASP B 64 9.747 11.749 -4.794 1.00 0.00 C ATOM 982 CG ASP B 64 11.170 11.563 -4.303 1.00 0.00 C ATOM 983 OD1 ASP B 64 11.518 10.434 -3.900 1.00 0.00 O ATOM 984 OD2 ASP B 64 11.937 12.549 -4.321 1.00 0.00 O ATOM 0 H ASP B 64 10.450 9.663 -5.915 1.00 0.00 H new ATOM 0 HA ASP B 64 8.917 10.104 -3.685 1.00 0.00 H new ATOM 0 HB2 ASP B 64 9.765 12.101 -5.825 1.00 0.00 H new ATOM 0 HB3 ASP B 64 9.260 12.523 -4.201 1.00 0.00 H new ATOM 989 N GLU B 65 7.233 10.682 -6.443 1.00 0.00 N ATOM 990 CA GLU B 65 5.894 10.923 -6.968 1.00 0.00 C ATOM 991 C GLU B 65 4.890 9.967 -6.332 1.00 0.00 C ATOM 992 O GLU B 65 3.799 10.370 -5.931 1.00 0.00 O ATOM 993 CB GLU B 65 5.878 10.764 -8.490 1.00 0.00 C ATOM 994 CG GLU B 65 4.517 11.022 -9.115 1.00 0.00 C ATOM 995 CD GLU B 65 4.525 10.864 -10.624 1.00 0.00 C ATOM 996 OE1 GLU B 65 5.599 10.555 -11.184 1.00 0.00 O ATOM 997 OE2 GLU B 65 3.459 11.050 -11.246 1.00 0.00 O ATOM 0 H GLU B 65 7.935 10.474 -7.154 1.00 0.00 H new ATOM 0 HA GLU B 65 5.609 11.945 -6.720 1.00 0.00 H new ATOM 0 HB2 GLU B 65 6.604 11.450 -8.926 1.00 0.00 H new ATOM 0 HB3 GLU B 65 6.200 9.754 -8.745 1.00 0.00 H new ATOM 0 HG2 GLU B 65 3.789 10.334 -8.686 1.00 0.00 H new ATOM 0 HG3 GLU B 65 4.191 12.031 -8.861 1.00 0.00 H new ATOM 1004 N LEU B 66 5.274 8.697 -6.237 1.00 0.00 N ATOM 1005 CA LEU B 66 4.416 7.680 -5.640 1.00 0.00 C ATOM 1006 C LEU B 66 4.250 7.934 -4.148 1.00 0.00 C ATOM 1007 O LEU B 66 3.143 7.871 -3.614 1.00 0.00 O ATOM 1008 CB LEU B 66 4.993 6.278 -5.870 1.00 0.00 C ATOM 1009 CG LEU B 66 5.052 5.815 -7.331 1.00 0.00 C ATOM 1010 CD1 LEU B 66 3.677 5.900 -7.977 1.00 0.00 C ATOM 1011 CD2 LEU B 66 6.069 6.629 -8.118 1.00 0.00 C ATOM 0 H LEU B 66 6.174 8.348 -6.566 1.00 0.00 H new ATOM 0 HA LEU B 66 3.439 7.737 -6.120 1.00 0.00 H new ATOM 0 HB2 LEU B 66 6.001 6.248 -5.457 1.00 0.00 H new ATOM 0 HB3 LEU B 66 4.396 5.562 -5.305 1.00 0.00 H new ATOM 0 HG LEU B 66 5.372 4.773 -7.344 1.00 0.00 H new ATOM 0 HD11 LEU B 66 3.741 5.567 -9.013 1.00 0.00 H new ATOM 0 HD12 LEU B 66 2.980 5.263 -7.433 1.00 0.00 H new ATOM 0 HD13 LEU B 66 3.325 6.931 -7.948 1.00 0.00 H new ATOM 0 HD21 LEU B 66 6.092 6.282 -9.151 1.00 0.00 H new ATOM 0 HD22 LEU B 66 5.788 7.682 -8.095 1.00 0.00 H new ATOM 0 HD23 LEU B 66 7.056 6.507 -7.672 1.00 0.00 H new ATOM 1023 N PHE B 67 5.363 8.228 -3.480 1.00 0.00 N ATOM 1024 CA PHE B 67 5.347 8.501 -2.049 1.00 0.00 C ATOM 1025 C PHE B 67 4.472 9.709 -1.738 1.00 0.00 C ATOM 1026 O PHE B 67 3.819 9.763 -0.696 1.00 0.00 O ATOM 1027 CB PHE B 67 6.768 8.739 -1.530 1.00 0.00 C ATOM 1028 CG PHE B 67 7.679 7.553 -1.683 1.00 0.00 C ATOM 1029 CD1 PHE B 67 7.464 6.403 -0.947 1.00 0.00 C ATOM 1030 CD2 PHE B 67 8.750 7.590 -2.558 1.00 0.00 C ATOM 1031 CE1 PHE B 67 8.298 5.312 -1.077 1.00 0.00 C ATOM 1032 CE2 PHE B 67 9.590 6.501 -2.693 1.00 0.00 C ATOM 1033 CZ PHE B 67 9.363 5.360 -1.951 1.00 0.00 C ATOM 0 H PHE B 67 6.287 8.283 -3.909 1.00 0.00 H new ATOM 0 HA PHE B 67 4.929 7.629 -1.546 1.00 0.00 H new ATOM 0 HB2 PHE B 67 7.200 9.588 -2.060 1.00 0.00 H new ATOM 0 HB3 PHE B 67 6.718 9.013 -0.476 1.00 0.00 H new ATOM 0 HD1 PHE B 67 6.631 6.358 -0.261 1.00 0.00 H new ATOM 0 HD2 PHE B 67 8.932 8.480 -3.142 1.00 0.00 H new ATOM 0 HE1 PHE B 67 8.117 4.421 -0.494 1.00 0.00 H new ATOM 0 HE2 PHE B 67 10.423 6.543 -3.379 1.00 0.00 H new ATOM 0 HZ PHE B 67 10.018 4.507 -2.055 1.00 0.00 H new ATOM 1043 N SER B 68 4.464 10.676 -2.651 1.00 0.00 N ATOM 1044 CA SER B 68 3.669 11.887 -2.480 1.00 0.00 C ATOM 1045 C SER B 68 2.208 11.540 -2.227 1.00 0.00 C ATOM 1046 O SER B 68 1.567 12.115 -1.347 1.00 0.00 O ATOM 1047 CB SER B 68 3.790 12.783 -3.713 1.00 0.00 C ATOM 1048 OG SER B 68 3.032 13.971 -3.559 1.00 0.00 O ATOM 0 H SER B 68 5.000 10.644 -3.518 1.00 0.00 H new ATOM 0 HA SER B 68 4.052 12.427 -1.614 1.00 0.00 H new ATOM 0 HB2 SER B 68 4.837 13.036 -3.881 1.00 0.00 H new ATOM 0 HB3 SER B 68 3.447 12.241 -4.595 1.00 0.00 H new ATOM 0 HG SER B 68 3.128 14.527 -4.361 1.00 0.00 H new ATOM 1054 N MET B 69 1.688 10.586 -2.997 1.00 0.00 N ATOM 1055 CA MET B 69 0.305 10.152 -2.843 1.00 0.00 C ATOM 1056 C MET B 69 0.058 9.724 -1.405 1.00 0.00 C ATOM 1057 O MET B 69 -0.997 9.995 -0.830 1.00 0.00 O ATOM 1058 CB MET B 69 -0.003 8.983 -3.788 1.00 0.00 C ATOM 1059 CG MET B 69 0.322 9.270 -5.242 1.00 0.00 C ATOM 1060 SD MET B 69 -0.106 7.896 -6.329 1.00 0.00 S ATOM 1061 CE MET B 69 0.902 6.587 -5.638 1.00 0.00 C ATOM 0 H MET B 69 2.204 10.101 -3.731 1.00 0.00 H new ATOM 0 HA MET B 69 -0.350 10.986 -3.094 1.00 0.00 H new ATOM 0 HB2 MET B 69 0.561 8.108 -3.465 1.00 0.00 H new ATOM 0 HB3 MET B 69 -1.060 8.729 -3.705 1.00 0.00 H new ATOM 0 HG2 MET B 69 -0.215 10.163 -5.562 1.00 0.00 H new ATOM 0 HG3 MET B 69 1.386 9.487 -5.337 1.00 0.00 H new ATOM 0 HE1 MET B 69 1.310 5.978 -6.444 1.00 0.00 H new ATOM 0 HE2 MET B 69 1.719 7.022 -5.063 1.00 0.00 H new ATOM 0 HE3 MET B 69 0.291 5.963 -4.986 1.00 0.00 H new ATOM 1071 N LEU B 70 1.049 9.049 -0.837 1.00 0.00 N ATOM 1072 CA LEU B 70 0.970 8.563 0.532 1.00 0.00 C ATOM 1073 C LEU B 70 0.963 9.709 1.535 1.00 0.00 C ATOM 1074 O LEU B 70 0.244 9.662 2.526 1.00 0.00 O ATOM 1075 CB LEU B 70 2.141 7.629 0.818 1.00 0.00 C ATOM 1076 CG LEU B 70 2.288 6.465 -0.159 1.00 0.00 C ATOM 1077 CD1 LEU B 70 3.479 5.608 0.223 1.00 0.00 C ATOM 1078 CD2 LEU B 70 1.014 5.632 -0.200 1.00 0.00 C ATOM 0 H LEU B 70 1.925 8.825 -1.310 1.00 0.00 H new ATOM 0 HA LEU B 70 0.032 8.019 0.641 1.00 0.00 H new ATOM 0 HB2 LEU B 70 3.062 8.211 0.808 1.00 0.00 H new ATOM 0 HB3 LEU B 70 2.029 7.227 1.825 1.00 0.00 H new ATOM 0 HG LEU B 70 2.458 6.869 -1.157 1.00 0.00 H new ATOM 0 HD11 LEU B 70 3.573 4.781 -0.481 1.00 0.00 H new ATOM 0 HD12 LEU B 70 4.386 6.212 0.196 1.00 0.00 H new ATOM 0 HD13 LEU B 70 3.336 5.213 1.229 1.00 0.00 H new ATOM 0 HD21 LEU B 70 1.140 4.808 -0.902 1.00 0.00 H new ATOM 0 HD22 LEU B 70 0.808 5.234 0.793 1.00 0.00 H new ATOM 0 HD23 LEU B 70 0.181 6.257 -0.520 1.00 0.00 H new ATOM 1090 N ASP B 71 1.767 10.735 1.284 1.00 0.00 N ATOM 1091 CA ASP B 71 1.835 11.881 2.187 1.00 0.00 C ATOM 1092 C ASP B 71 0.448 12.466 2.434 1.00 0.00 C ATOM 1093 O ASP B 71 0.114 12.847 3.556 1.00 0.00 O ATOM 1094 CB ASP B 71 2.758 12.964 1.626 1.00 0.00 C ATOM 1095 CG ASP B 71 4.220 12.579 1.698 1.00 0.00 C ATOM 1096 OD1 ASP B 71 4.606 11.583 1.054 1.00 0.00 O ATOM 1097 OD2 ASP B 71 4.981 13.274 2.403 1.00 0.00 O ATOM 0 H ASP B 71 2.377 10.799 0.469 1.00 0.00 H new ATOM 0 HA ASP B 71 2.241 11.528 3.135 1.00 0.00 H new ATOM 0 HB2 ASP B 71 2.489 13.163 0.589 1.00 0.00 H new ATOM 0 HB3 ASP B 71 2.603 13.890 2.179 1.00 0.00 H new ATOM 1102 N GLN B 72 -0.349 12.545 1.376 1.00 0.00 N ATOM 1103 CA GLN B 72 -1.696 13.095 1.468 1.00 0.00 C ATOM 1104 C GLN B 72 -2.649 12.146 2.197 1.00 0.00 C ATOM 1105 O GLN B 72 -3.471 12.580 3.003 1.00 0.00 O ATOM 1106 CB GLN B 72 -2.233 13.403 0.070 1.00 0.00 C ATOM 1107 CG GLN B 72 -3.597 14.072 0.074 1.00 0.00 C ATOM 1108 CD GLN B 72 -4.083 14.415 -1.320 1.00 0.00 C ATOM 1109 OE1 GLN B 72 -4.263 13.535 -2.161 1.00 0.00 O ATOM 1110 NE2 GLN B 72 -4.294 15.701 -1.573 1.00 0.00 N ATOM 0 H GLN B 72 -0.085 12.234 0.441 1.00 0.00 H new ATOM 0 HA GLN B 72 -1.638 14.016 2.048 1.00 0.00 H new ATOM 0 HB2 GLN B 72 -1.523 14.048 -0.448 1.00 0.00 H new ATOM 0 HB3 GLN B 72 -2.295 12.475 -0.499 1.00 0.00 H new ATOM 0 HG2 GLN B 72 -4.320 13.412 0.554 1.00 0.00 H new ATOM 0 HG3 GLN B 72 -3.549 14.982 0.672 1.00 0.00 H new ATOM 0 HE21 GLN B 72 -4.132 16.397 -0.845 1.00 0.00 H new ATOM 0 HE22 GLN B 72 -4.618 15.993 -2.495 1.00 0.00 H new ATOM 1119 N ARG B 73 -2.547 10.856 1.897 1.00 0.00 N ATOM 1120 CA ARG B 73 -3.415 9.855 2.517 1.00 0.00 C ATOM 1121 C ARG B 73 -3.051 9.619 3.981 1.00 0.00 C ATOM 1122 O ARG B 73 -3.921 9.553 4.850 1.00 0.00 O ATOM 1123 CB ARG B 73 -3.321 8.530 1.754 1.00 0.00 C ATOM 1124 CG ARG B 73 -3.532 8.662 0.255 1.00 0.00 C ATOM 1125 CD ARG B 73 -4.842 9.356 -0.069 1.00 0.00 C ATOM 1126 NE ARG B 73 -5.100 9.405 -1.504 1.00 0.00 N ATOM 1127 CZ ARG B 73 -6.195 9.938 -2.032 1.00 0.00 C ATOM 1128 NH1 ARG B 73 -7.119 10.471 -1.243 1.00 0.00 N ATOM 1129 NH2 ARG B 73 -6.369 9.941 -3.345 1.00 0.00 N ATOM 0 H ARG B 73 -1.874 10.477 1.230 1.00 0.00 H new ATOM 0 HA ARG B 73 -4.435 10.238 2.475 1.00 0.00 H new ATOM 0 HB2 ARG B 73 -2.341 8.088 1.935 1.00 0.00 H new ATOM 0 HB3 ARG B 73 -4.062 7.839 2.155 1.00 0.00 H new ATOM 0 HG2 ARG B 73 -2.705 9.223 -0.181 1.00 0.00 H new ATOM 0 HG3 ARG B 73 -3.522 7.673 -0.202 1.00 0.00 H new ATOM 0 HD2 ARG B 73 -5.660 8.834 0.428 1.00 0.00 H new ATOM 0 HD3 ARG B 73 -4.822 10.370 0.330 1.00 0.00 H new ATOM 0 HE ARG B 73 -4.403 9.009 -2.134 1.00 0.00 H new ATOM 0 HH11 ARG B 73 -6.988 10.471 -0.231 1.00 0.00 H new ATOM 0 HH12 ARG B 73 -7.961 10.881 -1.648 1.00 0.00 H new ATOM 0 HH21 ARG B 73 -5.660 9.533 -3.954 1.00 0.00 H new ATOM 0 HH22 ARG B 73 -7.212 10.352 -3.747 1.00 0.00 H new ATOM 1143 N PHE B 74 -1.759 9.464 4.234 1.00 0.00 N ATOM 1144 CA PHE B 74 -1.249 9.200 5.575 1.00 0.00 C ATOM 1145 C PHE B 74 -1.357 10.429 6.476 1.00 0.00 C ATOM 1146 O PHE B 74 -1.336 10.309 7.702 1.00 0.00 O ATOM 1147 CB PHE B 74 0.215 8.745 5.489 1.00 0.00 C ATOM 1148 CG PHE B 74 0.437 7.502 4.659 1.00 0.00 C ATOM 1149 CD1 PHE B 74 -0.613 6.885 3.990 1.00 0.00 C ATOM 1150 CD2 PHE B 74 1.704 6.950 4.551 1.00 0.00 C ATOM 1151 CE1 PHE B 74 -0.403 5.750 3.231 1.00 0.00 C ATOM 1152 CE2 PHE B 74 1.919 5.814 3.791 1.00 0.00 C ATOM 1153 CZ PHE B 74 0.864 5.213 3.131 1.00 0.00 C ATOM 0 H PHE B 74 -1.035 9.517 3.518 1.00 0.00 H new ATOM 0 HA PHE B 74 -1.859 8.412 6.016 1.00 0.00 H new ATOM 0 HB2 PHE B 74 0.811 9.557 5.071 1.00 0.00 H new ATOM 0 HB3 PHE B 74 0.586 8.564 6.498 1.00 0.00 H new ATOM 0 HD1 PHE B 74 -1.608 7.299 4.064 1.00 0.00 H new ATOM 0 HD2 PHE B 74 2.533 7.412 5.066 1.00 0.00 H new ATOM 0 HE1 PHE B 74 -1.230 5.283 2.716 1.00 0.00 H new ATOM 0 HE2 PHE B 74 2.912 5.397 3.713 1.00 0.00 H new ATOM 0 HZ PHE B 74 1.031 4.325 2.539 1.00 0.00 H new ATOM 1334 N THR B 89 17.906 4.825 -0.265 1.00 0.00 N ATOM 1335 CA THR B 89 16.512 4.634 -0.646 1.00 0.00 C ATOM 1336 C THR B 89 15.708 3.963 0.468 1.00 0.00 C ATOM 1337 O THR B 89 14.523 4.247 0.642 1.00 0.00 O ATOM 1338 CB THR B 89 16.401 3.788 -1.930 1.00 0.00 C ATOM 1339 OG1 THR B 89 17.150 4.403 -2.985 1.00 0.00 O ATOM 1340 CG2 THR B 89 14.949 3.635 -2.360 1.00 0.00 C ATOM 0 HA THR B 89 16.097 5.625 -0.828 1.00 0.00 H new ATOM 0 HB THR B 89 16.806 2.798 -1.720 1.00 0.00 H new ATOM 0 HG1 THR B 89 17.900 4.905 -2.604 1.00 0.00 H new ATOM 0 HG21 THR B 89 14.900 3.034 -3.268 1.00 0.00 H new ATOM 0 HG22 THR B 89 14.385 3.143 -1.568 1.00 0.00 H new ATOM 0 HG23 THR B 89 14.521 4.619 -2.552 1.00 0.00 H new ATOM 1348 N GLU B 90 16.349 3.057 1.204 1.00 0.00 N ATOM 1349 CA GLU B 90 15.678 2.327 2.280 1.00 0.00 C ATOM 1350 C GLU B 90 15.004 3.257 3.287 1.00 0.00 C ATOM 1351 O GLU B 90 13.854 3.036 3.648 1.00 0.00 O ATOM 1352 CB GLU B 90 16.659 1.418 3.023 1.00 0.00 C ATOM 1353 CG GLU B 90 17.386 0.432 2.128 1.00 0.00 C ATOM 1354 CD GLU B 90 18.359 -0.440 2.897 1.00 0.00 C ATOM 1355 OE1 GLU B 90 17.914 -1.154 3.820 1.00 0.00 O ATOM 1356 OE2 GLU B 90 19.565 -0.407 2.577 1.00 0.00 O ATOM 0 H GLU B 90 17.330 2.811 1.076 1.00 0.00 H new ATOM 0 HA GLU B 90 14.906 1.725 1.800 1.00 0.00 H new ATOM 0 HB2 GLU B 90 17.394 2.037 3.537 1.00 0.00 H new ATOM 0 HB3 GLU B 90 16.117 0.865 3.790 1.00 0.00 H new ATOM 0 HG2 GLU B 90 16.657 -0.201 1.622 1.00 0.00 H new ATOM 0 HG3 GLU B 90 17.925 0.978 1.354 1.00 0.00 H new ATOM 1363 N GLU B 91 15.725 4.278 3.757 1.00 0.00 N ATOM 1364 CA GLU B 91 15.174 5.207 4.748 1.00 0.00 C ATOM 1365 C GLU B 91 13.731 5.570 4.414 1.00 0.00 C ATOM 1366 O GLU B 91 12.859 5.557 5.283 1.00 0.00 O ATOM 1367 CB GLU B 91 16.025 6.478 4.844 1.00 0.00 C ATOM 1368 CG GLU B 91 15.956 7.362 3.609 1.00 0.00 C ATOM 1369 CD GLU B 91 16.846 8.584 3.715 1.00 0.00 C ATOM 1370 OE1 GLU B 91 18.074 8.412 3.876 1.00 0.00 O ATOM 1371 OE2 GLU B 91 16.318 9.712 3.633 1.00 0.00 O ATOM 0 H GLU B 91 16.683 4.482 3.471 1.00 0.00 H new ATOM 0 HA GLU B 91 15.192 4.704 5.715 1.00 0.00 H new ATOM 0 HB2 GLU B 91 15.701 7.055 5.710 1.00 0.00 H new ATOM 0 HB3 GLU B 91 17.063 6.196 5.019 1.00 0.00 H new ATOM 0 HG2 GLU B 91 16.247 6.780 2.734 1.00 0.00 H new ATOM 0 HG3 GLU B 91 14.925 7.680 3.452 1.00 0.00 H new ATOM 1378 N LYS B 92 13.483 5.880 3.148 1.00 0.00 N ATOM 1379 CA LYS B 92 12.147 6.230 2.695 1.00 0.00 C ATOM 1380 C LYS B 92 11.292 4.971 2.584 1.00 0.00 C ATOM 1381 O LYS B 92 10.120 4.962 2.957 1.00 0.00 O ATOM 1382 CB LYS B 92 12.225 6.954 1.350 1.00 0.00 C ATOM 1383 CG LYS B 92 10.901 7.535 0.884 1.00 0.00 C ATOM 1384 CD LYS B 92 11.072 8.427 -0.339 1.00 0.00 C ATOM 1385 CE LYS B 92 11.822 9.712 -0.013 1.00 0.00 C ATOM 1386 NZ LYS B 92 13.240 9.461 0.367 1.00 0.00 N ATOM 0 H LYS B 92 14.193 5.896 2.416 1.00 0.00 H new ATOM 0 HA LYS B 92 11.684 6.900 3.419 1.00 0.00 H new ATOM 0 HB2 LYS B 92 12.957 7.758 1.424 1.00 0.00 H new ATOM 0 HB3 LYS B 92 12.591 6.258 0.595 1.00 0.00 H new ATOM 0 HG2 LYS B 92 10.211 6.724 0.649 1.00 0.00 H new ATOM 0 HG3 LYS B 92 10.452 8.111 1.693 1.00 0.00 H new ATOM 0 HD2 LYS B 92 11.611 7.880 -1.113 1.00 0.00 H new ATOM 0 HD3 LYS B 92 10.092 8.674 -0.747 1.00 0.00 H new ATOM 0 HE2 LYS B 92 11.792 10.376 -0.877 1.00 0.00 H new ATOM 0 HE3 LYS B 92 11.316 10.228 0.803 1.00 0.00 H new ATOM 0 HZ1 LYS B 92 13.814 10.298 0.139 1.00 0.00 H new ATOM 0 HZ2 LYS B 92 13.297 9.269 1.388 1.00 0.00 H new ATOM 0 HZ3 LYS B 92 13.601 8.640 -0.160 1.00 0.00 H new ATOM 1400 N LEU B 93 11.902 3.906 2.078 1.00 0.00 N ATOM 1401 CA LEU B 93 11.222 2.626 1.918 1.00 0.00 C ATOM 1402 C LEU B 93 10.847 2.023 3.271 1.00 0.00 C ATOM 1403 O LEU B 93 10.038 1.105 3.343 1.00 0.00 O ATOM 1404 CB LEU B 93 12.116 1.647 1.154 1.00 0.00 C ATOM 1405 CG LEU B 93 12.580 2.115 -0.226 1.00 0.00 C ATOM 1406 CD1 LEU B 93 13.516 1.090 -0.847 1.00 0.00 C ATOM 1407 CD2 LEU B 93 11.394 2.369 -1.139 1.00 0.00 C ATOM 0 H LEU B 93 12.874 3.904 1.769 1.00 0.00 H new ATOM 0 HA LEU B 93 10.306 2.804 1.354 1.00 0.00 H new ATOM 0 HB2 LEU B 93 12.996 1.437 1.762 1.00 0.00 H new ATOM 0 HB3 LEU B 93 11.577 0.707 1.037 1.00 0.00 H new ATOM 0 HG LEU B 93 13.121 3.053 -0.102 1.00 0.00 H new ATOM 0 HD11 LEU B 93 13.837 1.438 -1.829 1.00 0.00 H new ATOM 0 HD12 LEU B 93 14.388 0.958 -0.206 1.00 0.00 H new ATOM 0 HD13 LEU B 93 12.995 0.138 -0.952 1.00 0.00 H new ATOM 0 HD21 LEU B 93 11.750 2.701 -2.114 1.00 0.00 H new ATOM 0 HD22 LEU B 93 10.821 1.449 -1.256 1.00 0.00 H new ATOM 0 HD23 LEU B 93 10.758 3.140 -0.703 1.00 0.00 H new ATOM 1419 N ARG B 94 11.453 2.526 4.340 1.00 0.00 N ATOM 1420 CA ARG B 94 11.187 2.011 5.681 1.00 0.00 C ATOM 1421 C ARG B 94 9.799 2.401 6.180 1.00 0.00 C ATOM 1422 O ARG B 94 9.009 1.542 6.569 1.00 0.00 O ATOM 1423 CB ARG B 94 12.242 2.517 6.666 1.00 0.00 C ATOM 1424 CG ARG B 94 13.638 1.984 6.395 1.00 0.00 C ATOM 1425 CD ARG B 94 14.648 2.541 7.387 1.00 0.00 C ATOM 1426 NE ARG B 94 15.998 2.047 7.131 1.00 0.00 N ATOM 1427 CZ ARG B 94 16.345 0.764 7.207 1.00 0.00 C ATOM 1428 NH1 ARG B 94 15.448 -0.152 7.545 1.00 0.00 N ATOM 1429 NH2 ARG B 94 17.592 0.399 6.947 1.00 0.00 N ATOM 0 H ARG B 94 12.130 3.288 4.306 1.00 0.00 H new ATOM 0 HA ARG B 94 11.231 0.924 5.619 1.00 0.00 H new ATOM 0 HB2 ARG B 94 12.266 3.606 6.631 1.00 0.00 H new ATOM 0 HB3 ARG B 94 11.946 2.237 7.677 1.00 0.00 H new ATOM 0 HG2 ARG B 94 13.631 0.896 6.453 1.00 0.00 H new ATOM 0 HG3 ARG B 94 13.939 2.247 5.381 1.00 0.00 H new ATOM 0 HD2 ARG B 94 14.645 3.630 7.335 1.00 0.00 H new ATOM 0 HD3 ARG B 94 14.349 2.270 8.399 1.00 0.00 H new ATOM 0 HE ARG B 94 16.717 2.725 6.879 1.00 0.00 H new ATOM 0 HH11 ARG B 94 14.488 0.125 7.748 1.00 0.00 H new ATOM 0 HH12 ARG B 94 15.718 -1.134 7.602 1.00 0.00 H new ATOM 0 HH21 ARG B 94 18.286 1.101 6.689 1.00 0.00 H new ATOM 0 HH22 ARG B 94 17.858 -0.584 7.005 1.00 0.00 H new ATOM 1443 N ARG B 95 9.519 3.698 6.192 1.00 0.00 N ATOM 1444 CA ARG B 95 8.237 4.198 6.676 1.00 0.00 C ATOM 1445 C ARG B 95 7.110 3.992 5.668 1.00 0.00 C ATOM 1446 O ARG B 95 6.059 3.458 6.010 1.00 0.00 O ATOM 1447 CB ARG B 95 8.351 5.680 7.035 1.00 0.00 C ATOM 1448 CG ARG B 95 8.885 6.542 5.904 1.00 0.00 C ATOM 1449 CD ARG B 95 8.924 8.011 6.290 1.00 0.00 C ATOM 1450 NE ARG B 95 9.765 8.249 7.458 1.00 0.00 N ATOM 1451 CZ ARG B 95 9.973 9.451 7.984 1.00 0.00 C ATOM 1452 NH1 ARG B 95 9.409 10.522 7.442 1.00 0.00 N ATOM 1453 NH2 ARG B 95 10.747 9.584 9.052 1.00 0.00 N ATOM 0 H ARG B 95 10.161 4.423 5.872 1.00 0.00 H new ATOM 0 HA ARG B 95 7.985 3.621 7.566 1.00 0.00 H new ATOM 0 HB2 ARG B 95 7.369 6.050 7.330 1.00 0.00 H new ATOM 0 HB3 ARG B 95 9.005 5.786 7.901 1.00 0.00 H new ATOM 0 HG2 ARG B 95 9.887 6.209 5.635 1.00 0.00 H new ATOM 0 HG3 ARG B 95 8.259 6.414 5.021 1.00 0.00 H new ATOM 0 HD2 ARG B 95 9.297 8.596 5.450 1.00 0.00 H new ATOM 0 HD3 ARG B 95 7.912 8.358 6.496 1.00 0.00 H new ATOM 0 HE ARG B 95 10.219 7.447 7.896 1.00 0.00 H new ATOM 0 HH11 ARG B 95 8.814 10.424 6.619 1.00 0.00 H new ATOM 0 HH12 ARG B 95 9.570 11.444 7.848 1.00 0.00 H new ATOM 0 HH21 ARG B 95 11.184 8.763 9.471 1.00 0.00 H new ATOM 0 HH22 ARG B 95 10.906 10.507 9.455 1.00 0.00 H new ATOM 1467 N TYR B 96 7.315 4.440 4.435 1.00 0.00 N ATOM 1468 CA TYR B 96 6.288 4.321 3.408 1.00 0.00 C ATOM 1469 C TYR B 96 5.883 2.870 3.147 1.00 0.00 C ATOM 1470 O TYR B 96 4.703 2.588 2.955 1.00 0.00 O ATOM 1471 CB TYR B 96 6.738 4.993 2.110 1.00 0.00 C ATOM 1472 CG TYR B 96 6.899 6.495 2.233 1.00 0.00 C ATOM 1473 CD1 TYR B 96 8.056 7.050 2.758 1.00 0.00 C ATOM 1474 CD2 TYR B 96 5.888 7.357 1.826 1.00 0.00 C ATOM 1475 CE1 TYR B 96 8.206 8.419 2.875 1.00 0.00 C ATOM 1476 CE2 TYR B 96 6.029 8.727 1.937 1.00 0.00 C ATOM 1477 CZ TYR B 96 7.189 9.253 2.462 1.00 0.00 C ATOM 1478 OH TYR B 96 7.333 10.616 2.575 1.00 0.00 O ATOM 0 H TYR B 96 8.178 4.886 4.124 1.00 0.00 H new ATOM 0 HA TYR B 96 5.405 4.836 3.787 1.00 0.00 H new ATOM 0 HB2 TYR B 96 7.686 4.558 1.795 1.00 0.00 H new ATOM 0 HB3 TYR B 96 6.012 4.776 1.327 1.00 0.00 H new ATOM 0 HD1 TYR B 96 8.855 6.400 3.082 1.00 0.00 H new ATOM 0 HD2 TYR B 96 4.976 6.949 1.416 1.00 0.00 H new ATOM 0 HE1 TYR B 96 9.114 8.833 3.287 1.00 0.00 H new ATOM 0 HE2 TYR B 96 5.234 9.382 1.614 1.00 0.00 H new ATOM 0 HH TYR B 96 6.578 11.062 2.138 1.00 0.00 H new ATOM 1488 N LEU B 97 6.844 1.948 3.131 1.00 0.00 N ATOM 1489 CA LEU B 97 6.525 0.541 2.881 1.00 0.00 C ATOM 1490 C LEU B 97 5.726 -0.058 4.030 1.00 0.00 C ATOM 1491 O LEU B 97 4.663 -0.636 3.813 1.00 0.00 O ATOM 1492 CB LEU B 97 7.798 -0.277 2.632 1.00 0.00 C ATOM 1493 CG LEU B 97 7.585 -1.757 2.280 1.00 0.00 C ATOM 1494 CD1 LEU B 97 7.210 -2.564 3.510 1.00 0.00 C ATOM 1495 CD2 LEU B 97 6.510 -1.909 1.219 1.00 0.00 C ATOM 0 H LEU B 97 7.833 2.143 3.285 1.00 0.00 H new ATOM 0 HA LEU B 97 5.909 0.501 1.983 1.00 0.00 H new ATOM 0 HB2 LEU B 97 8.356 0.193 1.822 1.00 0.00 H new ATOM 0 HB3 LEU B 97 8.423 -0.222 3.523 1.00 0.00 H new ATOM 0 HG LEU B 97 8.527 -2.140 1.887 1.00 0.00 H new ATOM 0 HD11 LEU B 97 7.066 -3.608 3.230 1.00 0.00 H new ATOM 0 HD12 LEU B 97 8.008 -2.493 4.249 1.00 0.00 H new ATOM 0 HD13 LEU B 97 6.286 -2.171 3.935 1.00 0.00 H new ATOM 0 HD21 LEU B 97 6.376 -2.965 0.985 1.00 0.00 H new ATOM 0 HD22 LEU B 97 5.571 -1.498 1.590 1.00 0.00 H new ATOM 0 HD23 LEU B 97 6.810 -1.373 0.318 1.00 0.00 H new ATOM 1507 N LYS B 98 6.231 0.078 5.252 1.00 0.00 N ATOM 1508 CA LYS B 98 5.533 -0.463 6.411 1.00 0.00 C ATOM 1509 C LYS B 98 4.132 0.128 6.491 1.00 0.00 C ATOM 1510 O LYS B 98 3.178 -0.552 6.870 1.00 0.00 O ATOM 1511 CB LYS B 98 6.307 -0.178 7.702 1.00 0.00 C ATOM 1512 CG LYS B 98 6.400 1.296 8.055 1.00 0.00 C ATOM 1513 CD LYS B 98 7.139 1.504 9.368 1.00 0.00 C ATOM 1514 CE LYS B 98 7.196 2.974 9.750 1.00 0.00 C ATOM 1515 NZ LYS B 98 5.837 3.562 9.900 1.00 0.00 N ATOM 0 H LYS B 98 7.109 0.552 5.463 1.00 0.00 H new ATOM 0 HA LYS B 98 5.460 -1.545 6.297 1.00 0.00 H new ATOM 0 HB2 LYS B 98 5.828 -0.708 8.525 1.00 0.00 H new ATOM 0 HB3 LYS B 98 7.315 -0.582 7.606 1.00 0.00 H new ATOM 0 HG2 LYS B 98 6.914 1.832 7.257 1.00 0.00 H new ATOM 0 HG3 LYS B 98 5.398 1.719 8.128 1.00 0.00 H new ATOM 0 HD2 LYS B 98 6.643 0.941 10.159 1.00 0.00 H new ATOM 0 HD3 LYS B 98 8.152 1.110 9.283 1.00 0.00 H new ATOM 0 HE2 LYS B 98 7.745 3.085 10.685 1.00 0.00 H new ATOM 0 HE3 LYS B 98 7.748 3.526 8.989 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 5.645 4.201 9.102 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 5.129 2.801 9.912 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 5.786 4.096 10.791 1.00 0.00 H new ATOM 1529 N ARG B 99 4.018 1.399 6.117 1.00 0.00 N ATOM 1530 CA ARG B 99 2.736 2.086 6.129 1.00 0.00 C ATOM 1531 C ARG B 99 1.820 1.552 5.037 1.00 0.00 C ATOM 1532 O ARG B 99 0.665 1.245 5.293 1.00 0.00 O ATOM 1533 CB ARG B 99 2.929 3.592 5.955 1.00 0.00 C ATOM 1534 CG ARG B 99 3.562 4.270 7.160 1.00 0.00 C ATOM 1535 CD ARG B 99 2.715 4.092 8.410 1.00 0.00 C ATOM 1536 NE ARG B 99 3.307 4.750 9.572 1.00 0.00 N ATOM 1537 CZ ARG B 99 2.772 4.720 10.789 1.00 0.00 C ATOM 1538 NH1 ARG B 99 1.641 4.059 11.004 1.00 0.00 N ATOM 1539 NH2 ARG B 99 3.368 5.348 11.793 1.00 0.00 N ATOM 0 H ARG B 99 4.801 1.972 5.802 1.00 0.00 H new ATOM 0 HA ARG B 99 2.269 1.899 7.096 1.00 0.00 H new ATOM 0 HB2 ARG B 99 3.553 3.771 5.079 1.00 0.00 H new ATOM 0 HB3 ARG B 99 1.961 4.053 5.756 1.00 0.00 H new ATOM 0 HG2 ARG B 99 4.556 3.856 7.331 1.00 0.00 H new ATOM 0 HG3 ARG B 99 3.690 5.333 6.955 1.00 0.00 H new ATOM 0 HD2 ARG B 99 1.719 4.497 8.233 1.00 0.00 H new ATOM 0 HD3 ARG B 99 2.595 3.029 8.618 1.00 0.00 H new ATOM 0 HE ARG B 99 4.180 5.261 9.443 1.00 0.00 H new ATOM 0 HH11 ARG B 99 1.180 3.573 10.235 1.00 0.00 H new ATOM 0 HH12 ARG B 99 1.233 4.037 11.938 1.00 0.00 H new ATOM 0 HH21 ARG B 99 4.238 5.855 11.633 1.00 0.00 H new ATOM 0 HH22 ARG B 99 2.956 5.324 12.726 1.00 0.00 H new ATOM 1553 N THR B 100 2.341 1.442 3.818 1.00 0.00 N ATOM 1554 CA THR B 100 1.552 0.939 2.696 1.00 0.00 C ATOM 1555 C THR B 100 1.067 -0.474 2.954 1.00 0.00 C ATOM 1556 O THR B 100 -0.112 -0.776 2.814 1.00 0.00 O ATOM 1557 CB THR B 100 2.353 0.921 1.390 1.00 0.00 C ATOM 1558 OG1 THR B 100 3.574 0.196 1.573 1.00 0.00 O ATOM 1559 CG2 THR B 100 2.657 2.318 0.908 1.00 0.00 C ATOM 0 H THR B 100 3.301 1.693 3.582 1.00 0.00 H new ATOM 0 HA THR B 100 0.707 1.621 2.598 1.00 0.00 H new ATOM 0 HB THR B 100 1.744 0.427 0.633 1.00 0.00 H new ATOM 0 HG1 THR B 100 3.704 -0.421 0.823 1.00 0.00 H new ATOM 0 HG21 THR B 100 3.226 2.267 -0.020 1.00 0.00 H new ATOM 0 HG22 THR B 100 1.724 2.853 0.733 1.00 0.00 H new ATOM 0 HG23 THR B 100 3.241 2.844 1.663 1.00 0.00 H new ATOM 1567 N VAL B 101 1.996 -1.336 3.321 1.00 0.00 N ATOM 1568 CA VAL B 101 1.690 -2.727 3.594 1.00 0.00 C ATOM 1569 C VAL B 101 0.556 -2.856 4.616 1.00 0.00 C ATOM 1570 O VAL B 101 -0.240 -3.794 4.552 1.00 0.00 O ATOM 1571 CB VAL B 101 2.965 -3.473 4.050 1.00 0.00 C ATOM 1572 CG1 VAL B 101 2.661 -4.575 5.045 1.00 0.00 C ATOM 1573 CG2 VAL B 101 3.708 -4.027 2.838 1.00 0.00 C ATOM 0 H VAL B 101 2.980 -1.093 3.438 1.00 0.00 H new ATOM 0 HA VAL B 101 1.339 -3.194 2.674 1.00 0.00 H new ATOM 0 HB VAL B 101 3.603 -2.753 4.563 1.00 0.00 H new ATOM 0 HG11 VAL B 101 3.588 -5.069 5.335 1.00 0.00 H new ATOM 0 HG12 VAL B 101 2.186 -4.147 5.928 1.00 0.00 H new ATOM 0 HG13 VAL B 101 1.990 -5.302 4.589 1.00 0.00 H new ATOM 0 HG21 VAL B 101 4.605 -4.551 3.169 1.00 0.00 H new ATOM 0 HG22 VAL B 101 3.061 -4.720 2.300 1.00 0.00 H new ATOM 0 HG23 VAL B 101 3.990 -3.207 2.178 1.00 0.00 H new ATOM 1583 N THR B 102 0.467 -1.899 5.538 1.00 0.00 N ATOM 1584 CA THR B 102 -0.593 -1.906 6.547 1.00 0.00 C ATOM 1585 C THR B 102 -1.838 -1.176 6.038 1.00 0.00 C ATOM 1586 O THR B 102 -2.953 -1.686 6.145 1.00 0.00 O ATOM 1587 CB THR B 102 -0.131 -1.257 7.864 1.00 0.00 C ATOM 1588 OG1 THR B 102 0.989 -1.973 8.397 1.00 0.00 O ATOM 1589 CG2 THR B 102 -1.261 -1.242 8.885 1.00 0.00 C ATOM 0 H THR B 102 1.112 -1.112 5.608 1.00 0.00 H new ATOM 0 HA THR B 102 -0.837 -2.951 6.739 1.00 0.00 H new ATOM 0 HB THR B 102 0.162 -0.229 7.653 1.00 0.00 H new ATOM 0 HG1 THR B 102 1.816 -1.632 7.996 1.00 0.00 H new ATOM 0 HG21 THR B 102 -0.912 -0.779 9.808 1.00 0.00 H new ATOM 0 HG22 THR B 102 -2.102 -0.672 8.489 1.00 0.00 H new ATOM 0 HG23 THR B 102 -1.580 -2.264 9.090 1.00 0.00 H new ATOM 1597 N GLU B 103 -1.635 0.016 5.479 1.00 0.00 N ATOM 1598 CA GLU B 103 -2.731 0.821 4.939 1.00 0.00 C ATOM 1599 C GLU B 103 -3.489 0.027 3.891 1.00 0.00 C ATOM 1600 O GLU B 103 -4.711 -0.097 3.945 1.00 0.00 O ATOM 1601 CB GLU B 103 -2.188 2.111 4.316 1.00 0.00 C ATOM 1602 CG GLU B 103 -1.567 3.071 5.318 1.00 0.00 C ATOM 1603 CD GLU B 103 -2.575 3.635 6.300 1.00 0.00 C ATOM 1604 OE1 GLU B 103 -3.184 2.842 7.050 1.00 0.00 O ATOM 1605 OE2 GLU B 103 -2.757 4.870 6.318 1.00 0.00 O ATOM 0 H GLU B 103 -0.716 0.448 5.388 1.00 0.00 H new ATOM 0 HA GLU B 103 -3.407 1.080 5.754 1.00 0.00 H new ATOM 0 HB2 GLU B 103 -1.441 1.853 3.565 1.00 0.00 H new ATOM 0 HB3 GLU B 103 -2.999 2.620 3.796 1.00 0.00 H new ATOM 0 HG2 GLU B 103 -0.781 2.554 5.869 1.00 0.00 H new ATOM 0 HG3 GLU B 103 -1.093 3.892 4.781 1.00 0.00 H new ATOM 1612 N LEU B 104 -2.737 -0.525 2.949 1.00 0.00 N ATOM 1613 CA LEU B 104 -3.298 -1.337 1.885 1.00 0.00 C ATOM 1614 C LEU B 104 -4.172 -2.431 2.477 1.00 0.00 C ATOM 1615 O LEU B 104 -5.310 -2.630 2.060 1.00 0.00 O ATOM 1616 CB LEU B 104 -2.166 -1.966 1.073 1.00 0.00 C ATOM 1617 CG LEU B 104 -2.603 -2.987 0.028 1.00 0.00 C ATOM 1618 CD1 LEU B 104 -3.165 -2.285 -1.190 1.00 0.00 C ATOM 1619 CD2 LEU B 104 -1.435 -3.864 -0.377 1.00 0.00 C ATOM 0 H LEU B 104 -1.723 -0.421 2.903 1.00 0.00 H new ATOM 0 HA LEU B 104 -3.906 -0.708 1.234 1.00 0.00 H new ATOM 0 HB2 LEU B 104 -1.615 -1.170 0.571 1.00 0.00 H new ATOM 0 HB3 LEU B 104 -1.472 -2.449 1.761 1.00 0.00 H new ATOM 0 HG LEU B 104 -3.379 -3.615 0.465 1.00 0.00 H new ATOM 0 HD11 LEU B 104 -3.473 -3.026 -1.927 1.00 0.00 H new ATOM 0 HD12 LEU B 104 -4.026 -1.684 -0.898 1.00 0.00 H new ATOM 0 HD13 LEU B 104 -2.401 -1.639 -1.622 1.00 0.00 H new ATOM 0 HD21 LEU B 104 -1.764 -4.587 -1.123 1.00 0.00 H new ATOM 0 HD22 LEU B 104 -0.643 -3.244 -0.797 1.00 0.00 H new ATOM 0 HD23 LEU B 104 -1.056 -4.393 0.498 1.00 0.00 H new ATOM 1631 N ASP B 105 -3.618 -3.126 3.464 1.00 0.00 N ATOM 1632 CA ASP B 105 -4.323 -4.200 4.145 1.00 0.00 C ATOM 1633 C ASP B 105 -5.556 -3.660 4.863 1.00 0.00 C ATOM 1634 O ASP B 105 -6.565 -4.350 4.989 1.00 0.00 O ATOM 1635 CB ASP B 105 -3.390 -4.884 5.149 1.00 0.00 C ATOM 1636 CG ASP B 105 -4.016 -6.103 5.800 1.00 0.00 C ATOM 1637 OD1 ASP B 105 -5.133 -6.487 5.396 1.00 0.00 O ATOM 1638 OD2 ASP B 105 -3.383 -6.680 6.708 1.00 0.00 O ATOM 0 H ASP B 105 -2.673 -2.961 3.811 1.00 0.00 H new ATOM 0 HA ASP B 105 -4.646 -4.930 3.402 1.00 0.00 H new ATOM 0 HB2 ASP B 105 -2.472 -5.180 4.641 1.00 0.00 H new ATOM 0 HB3 ASP B 105 -3.110 -4.169 5.922 1.00 0.00 H new ATOM 1643 N SER B 106 -5.457 -2.424 5.344 1.00 0.00 N ATOM 1644 CA SER B 106 -6.555 -1.790 6.065 1.00 0.00 C ATOM 1645 C SER B 106 -7.741 -1.499 5.147 1.00 0.00 C ATOM 1646 O SER B 106 -8.817 -2.065 5.320 1.00 0.00 O ATOM 1647 CB SER B 106 -6.078 -0.493 6.720 1.00 0.00 C ATOM 1648 OG SER B 106 -7.131 0.141 7.423 1.00 0.00 O ATOM 0 H SER B 106 -4.626 -1.841 5.247 1.00 0.00 H new ATOM 0 HA SER B 106 -6.888 -2.487 6.834 1.00 0.00 H new ATOM 0 HB2 SER B 106 -5.258 -0.708 7.405 1.00 0.00 H new ATOM 0 HB3 SER B 106 -5.688 0.181 5.957 1.00 0.00 H new ATOM 0 HG SER B 106 -6.799 0.967 7.834 1.00 0.00 H new ATOM 1654 N VAL B 107 -7.543 -0.608 4.179 1.00 0.00 N ATOM 1655 CA VAL B 107 -8.611 -0.246 3.253 1.00 0.00 C ATOM 1656 C VAL B 107 -9.203 -1.471 2.562 1.00 0.00 C ATOM 1657 O VAL B 107 -10.420 -1.579 2.430 1.00 0.00 O ATOM 1658 CB VAL B 107 -8.143 0.779 2.197 1.00 0.00 C ATOM 1659 CG1 VAL B 107 -6.723 0.507 1.752 1.00 0.00 C ATOM 1660 CG2 VAL B 107 -9.080 0.794 1.004 1.00 0.00 C ATOM 0 H VAL B 107 -6.659 -0.126 4.016 1.00 0.00 H new ATOM 0 HA VAL B 107 -9.390 0.220 3.857 1.00 0.00 H new ATOM 0 HB VAL B 107 -8.164 1.763 2.665 1.00 0.00 H new ATOM 0 HG11 VAL B 107 -6.426 1.247 1.009 1.00 0.00 H new ATOM 0 HG12 VAL B 107 -6.055 0.567 2.611 1.00 0.00 H new ATOM 0 HG13 VAL B 107 -6.663 -0.490 1.315 1.00 0.00 H new ATOM 0 HG21 VAL B 107 -8.729 1.524 0.275 1.00 0.00 H new ATOM 0 HG22 VAL B 107 -9.102 -0.195 0.546 1.00 0.00 H new ATOM 0 HG23 VAL B 107 -10.084 1.064 1.333 1.00 0.00 H new ATOM 1670 N THR B 108 -8.352 -2.395 2.129 1.00 0.00 N ATOM 1671 CA THR B 108 -8.831 -3.602 1.467 1.00 0.00 C ATOM 1672 C THR B 108 -9.663 -4.441 2.433 1.00 0.00 C ATOM 1673 O THR B 108 -10.649 -5.066 2.041 1.00 0.00 O ATOM 1674 CB THR B 108 -7.677 -4.458 0.908 1.00 0.00 C ATOM 1675 OG1 THR B 108 -8.202 -5.525 0.111 1.00 0.00 O ATOM 1676 CG2 THR B 108 -6.833 -5.036 2.030 1.00 0.00 C ATOM 0 H THR B 108 -7.338 -2.333 2.223 1.00 0.00 H new ATOM 0 HA THR B 108 -9.448 -3.281 0.627 1.00 0.00 H new ATOM 0 HB THR B 108 -7.047 -3.815 0.294 1.00 0.00 H new ATOM 0 HG1 THR B 108 -7.463 -6.064 -0.242 1.00 0.00 H new ATOM 0 HG21 THR B 108 -6.027 -5.635 1.607 1.00 0.00 H new ATOM 0 HG22 THR B 108 -6.410 -4.225 2.622 1.00 0.00 H new ATOM 0 HG23 THR B 108 -7.456 -5.664 2.667 1.00 0.00 H new ATOM 1684 N ALA B 109 -9.256 -4.444 3.702 1.00 0.00 N ATOM 1685 CA ALA B 109 -9.959 -5.197 4.734 1.00 0.00 C ATOM 1686 C ALA B 109 -11.365 -4.651 4.950 1.00 0.00 C ATOM 1687 O ALA B 109 -12.323 -5.410 5.076 1.00 0.00 O ATOM 1688 CB ALA B 109 -9.177 -5.162 6.038 1.00 0.00 C ATOM 0 H ALA B 109 -8.441 -3.931 4.038 1.00 0.00 H new ATOM 0 HA ALA B 109 -10.044 -6.231 4.398 1.00 0.00 H new ATOM 0 HB1 ALA B 109 -9.714 -5.728 6.799 1.00 0.00 H new ATOM 0 HB2 ALA B 109 -8.193 -5.604 5.884 1.00 0.00 H new ATOM 0 HB3 ALA B 109 -9.064 -4.129 6.367 1.00 0.00 H new ATOM 1694 N ARG B 110 -11.481 -3.328 4.991 1.00 0.00 N ATOM 1695 CA ARG B 110 -12.772 -2.677 5.187 1.00 0.00 C ATOM 1696 C ARG B 110 -13.563 -2.633 3.885 1.00 0.00 C ATOM 1697 O ARG B 110 -14.788 -2.555 3.898 1.00 0.00 O ATOM 1698 CB ARG B 110 -12.589 -1.257 5.735 1.00 0.00 C ATOM 1699 CG ARG B 110 -12.152 -1.205 7.194 1.00 0.00 C ATOM 1700 CD ARG B 110 -10.776 -1.820 7.398 1.00 0.00 C ATOM 1701 NE ARG B 110 -10.356 -1.780 8.796 1.00 0.00 N ATOM 1702 CZ ARG B 110 -10.982 -2.424 9.777 1.00 0.00 C ATOM 1703 NH1 ARG B 110 -12.049 -3.167 9.513 1.00 0.00 N ATOM 1704 NH2 ARG B 110 -10.537 -2.331 11.022 1.00 0.00 N ATOM 0 H ARG B 110 -10.696 -2.685 4.891 1.00 0.00 H new ATOM 0 HA ARG B 110 -13.332 -3.264 5.915 1.00 0.00 H new ATOM 0 HB2 ARG B 110 -11.849 -0.737 5.127 1.00 0.00 H new ATOM 0 HB3 ARG B 110 -13.528 -0.714 5.629 1.00 0.00 H new ATOM 0 HG2 ARG B 110 -12.140 -0.169 7.532 1.00 0.00 H new ATOM 0 HG3 ARG B 110 -12.880 -1.733 7.810 1.00 0.00 H new ATOM 0 HD2 ARG B 110 -10.787 -2.854 7.053 1.00 0.00 H new ATOM 0 HD3 ARG B 110 -10.048 -1.288 6.786 1.00 0.00 H new ATOM 0 HE ARG B 110 -9.534 -1.225 9.034 1.00 0.00 H new ATOM 0 HH11 ARG B 110 -12.391 -3.246 8.555 1.00 0.00 H new ATOM 0 HH12 ARG B 110 -12.527 -3.660 10.268 1.00 0.00 H new ATOM 0 HH21 ARG B 110 -9.714 -1.765 11.228 1.00 0.00 H new ATOM 0 HH22 ARG B 110 -11.018 -2.825 11.774 1.00 0.00 H new ATOM 1718 N LEU B 111 -12.849 -2.668 2.763 1.00 0.00 N ATOM 1719 CA LEU B 111 -13.475 -2.619 1.444 1.00 0.00 C ATOM 1720 C LEU B 111 -14.476 -3.754 1.247 1.00 0.00 C ATOM 1721 O LEU B 111 -15.548 -3.549 0.676 1.00 0.00 O ATOM 1722 CB LEU B 111 -12.402 -2.652 0.350 1.00 0.00 C ATOM 1723 CG LEU B 111 -12.928 -2.743 -1.084 1.00 0.00 C ATOM 1724 CD1 LEU B 111 -13.898 -1.610 -1.369 1.00 0.00 C ATOM 1725 CD2 LEU B 111 -11.776 -2.717 -2.078 1.00 0.00 C ATOM 0 H LEU B 111 -11.831 -2.730 2.741 1.00 0.00 H new ATOM 0 HA LEU B 111 -14.029 -1.683 1.374 1.00 0.00 H new ATOM 0 HB2 LEU B 111 -11.790 -1.754 0.438 1.00 0.00 H new ATOM 0 HB3 LEU B 111 -11.747 -3.504 0.533 1.00 0.00 H new ATOM 0 HG LEU B 111 -13.459 -3.688 -1.195 1.00 0.00 H new ATOM 0 HD11 LEU B 111 -14.262 -1.691 -2.393 1.00 0.00 H new ATOM 0 HD12 LEU B 111 -14.740 -1.670 -0.679 1.00 0.00 H new ATOM 0 HD13 LEU B 111 -13.390 -0.655 -1.239 1.00 0.00 H new ATOM 0 HD21 LEU B 111 -12.169 -2.783 -3.092 1.00 0.00 H new ATOM 0 HD22 LEU B 111 -11.218 -1.787 -1.964 1.00 0.00 H new ATOM 0 HD23 LEU B 111 -11.114 -3.562 -1.890 1.00 0.00 H new ATOM 1737 N ARG B 112 -14.128 -4.946 1.717 1.00 0.00 N ATOM 1738 CA ARG B 112 -15.008 -6.102 1.582 1.00 0.00 C ATOM 1739 C ARG B 112 -16.363 -5.834 2.237 1.00 0.00 C ATOM 1740 O ARG B 112 -17.407 -6.205 1.702 1.00 0.00 O ATOM 1741 CB ARG B 112 -14.361 -7.342 2.200 1.00 0.00 C ATOM 1742 CG ARG B 112 -14.095 -7.210 3.690 1.00 0.00 C ATOM 1743 CD ARG B 112 -13.408 -8.445 4.248 1.00 0.00 C ATOM 1744 NE ARG B 112 -14.197 -9.656 4.034 1.00 0.00 N ATOM 1745 CZ ARG B 112 -15.410 -9.850 4.545 1.00 0.00 C ATOM 1746 NH1 ARG B 112 -15.969 -8.925 5.314 1.00 0.00 N ATOM 1747 NH2 ARG B 112 -16.063 -10.976 4.290 1.00 0.00 N ATOM 0 H ARG B 112 -13.247 -5.138 2.193 1.00 0.00 H new ATOM 0 HA ARG B 112 -15.169 -6.282 0.519 1.00 0.00 H new ATOM 0 HB2 ARG B 112 -15.008 -8.202 2.030 1.00 0.00 H new ATOM 0 HB3 ARG B 112 -13.420 -7.544 1.688 1.00 0.00 H new ATOM 0 HG2 ARG B 112 -13.473 -6.334 3.873 1.00 0.00 H new ATOM 0 HG3 ARG B 112 -15.036 -7.048 4.215 1.00 0.00 H new ATOM 0 HD2 ARG B 112 -12.432 -8.561 3.777 1.00 0.00 H new ATOM 0 HD3 ARG B 112 -13.233 -8.311 5.315 1.00 0.00 H new ATOM 0 HE ARG B 112 -13.794 -10.396 3.459 1.00 0.00 H new ATOM 0 HH11 ARG B 112 -15.469 -8.059 5.516 1.00 0.00 H new ATOM 0 HH12 ARG B 112 -16.899 -9.079 5.703 1.00 0.00 H new ATOM 0 HH21 ARG B 112 -15.635 -11.692 3.703 1.00 0.00 H new ATOM 0 HH22 ARG B 112 -16.993 -11.126 4.681 1.00 0.00 H new ATOM 1761 N GLU B 113 -16.335 -5.189 3.400 1.00 0.00 N ATOM 1762 CA GLU B 113 -17.558 -4.872 4.134 1.00 0.00 C ATOM 1763 C GLU B 113 -18.228 -3.615 3.582 1.00 0.00 C ATOM 1764 O GLU B 113 -19.454 -3.526 3.533 1.00 0.00 O ATOM 1765 CB GLU B 113 -17.253 -4.693 5.621 1.00 0.00 C ATOM 1766 CG GLU B 113 -16.680 -5.939 6.277 1.00 0.00 C ATOM 1767 CD GLU B 113 -16.440 -5.760 7.762 1.00 0.00 C ATOM 1768 OE1 GLU B 113 -15.653 -4.864 8.133 1.00 0.00 O ATOM 1769 OE2 GLU B 113 -17.039 -6.517 8.556 1.00 0.00 O ATOM 0 H GLU B 113 -15.478 -4.875 3.855 1.00 0.00 H new ATOM 0 HA GLU B 113 -18.248 -5.706 4.008 1.00 0.00 H new ATOM 0 HB2 GLU B 113 -16.548 -3.871 5.743 1.00 0.00 H new ATOM 0 HB3 GLU B 113 -18.168 -4.407 6.140 1.00 0.00 H new ATOM 0 HG2 GLU B 113 -17.364 -6.774 6.122 1.00 0.00 H new ATOM 0 HG3 GLU B 113 -15.741 -6.202 5.790 1.00 0.00 H new ATOM 1776 N VAL B 114 -17.414 -2.644 3.177 1.00 0.00 N ATOM 1777 CA VAL B 114 -17.919 -1.386 2.636 1.00 0.00 C ATOM 1778 C VAL B 114 -18.945 -1.623 1.531 1.00 0.00 C ATOM 1779 O VAL B 114 -19.989 -0.976 1.497 1.00 0.00 O ATOM 1780 CB VAL B 114 -16.760 -0.501 2.119 1.00 0.00 C ATOM 1781 CG1 VAL B 114 -17.126 0.243 0.849 1.00 0.00 C ATOM 1782 CG2 VAL B 114 -16.337 0.488 3.184 1.00 0.00 C ATOM 0 H VAL B 114 -16.397 -2.705 3.214 1.00 0.00 H new ATOM 0 HA VAL B 114 -18.419 -0.860 3.449 1.00 0.00 H new ATOM 0 HB VAL B 114 -15.930 -1.168 1.885 1.00 0.00 H new ATOM 0 HG11 VAL B 114 -16.280 0.850 0.526 1.00 0.00 H new ATOM 0 HG12 VAL B 114 -17.378 -0.474 0.067 1.00 0.00 H new ATOM 0 HG13 VAL B 114 -17.984 0.888 1.040 1.00 0.00 H new ATOM 0 HG21 VAL B 114 -15.521 1.103 2.805 1.00 0.00 H new ATOM 0 HG22 VAL B 114 -17.182 1.126 3.444 1.00 0.00 H new ATOM 0 HG23 VAL B 114 -16.003 -0.052 4.070 1.00 0.00 H new ATOM 1792 N GLU B 115 -18.652 -2.557 0.636 1.00 0.00 N ATOM 1793 CA GLU B 115 -19.569 -2.873 -0.453 1.00 0.00 C ATOM 1794 C GLU B 115 -20.818 -3.567 0.084 1.00 0.00 C ATOM 1795 O GLU B 115 -21.923 -3.354 -0.413 1.00 0.00 O ATOM 1796 CB GLU B 115 -18.882 -3.759 -1.492 1.00 0.00 C ATOM 1797 CG GLU B 115 -18.381 -5.080 -0.930 1.00 0.00 C ATOM 1798 CD GLU B 115 -17.666 -5.926 -1.965 1.00 0.00 C ATOM 1799 OE1 GLU B 115 -18.304 -6.297 -2.972 1.00 0.00 O ATOM 1800 OE2 GLU B 115 -16.467 -6.218 -1.768 1.00 0.00 O ATOM 0 H GLU B 115 -17.793 -3.106 0.641 1.00 0.00 H new ATOM 0 HA GLU B 115 -19.866 -1.940 -0.931 1.00 0.00 H new ATOM 0 HB2 GLU B 115 -19.581 -3.961 -2.304 1.00 0.00 H new ATOM 0 HB3 GLU B 115 -18.041 -3.215 -1.923 1.00 0.00 H new ATOM 0 HG2 GLU B 115 -17.704 -4.882 -0.099 1.00 0.00 H new ATOM 0 HG3 GLU B 115 -19.224 -5.642 -0.528 1.00 0.00 H new