USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 789 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 79 HIS : no HD1:sc= 0.727 K(o=1.6,f=-2.9!) USER MOD Set 1.2: A 98 SER OG : rot 84:sc= 0.848 USER MOD Set 2.1: A 66 TYR OH : rot 24:sc= 1.19 USER MOD Set 2.2: A 70 LYS NZ :NH3+ 161:sc= 1.27 (180deg=1.22) USER MOD Single : A 0 MET CE :methyl 177:sc= 0 (180deg=-0.0173) USER MOD Single : A -5 TYR OH : rot 180:sc= 0 USER MOD Single : A -8 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 66:sc= 0.855 USER MOD Single : A 50 GLN : amide:sc= 0.802 K(o=0.8,f=-0.0042) USER MOD Single : A 51 LYS NZ :NH3+ 162:sc= 1.14 (180deg=0.893) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot -42:sc= 0.474 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.366 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0.848 K(o=0.85,f=0) USER MOD Single : A 68 MET CE :methyl 178:sc=-0.000265 (180deg=-0.00294) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= 0.494 X(o=0.49,f=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 180:sc= 0.0294 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0235) USER MOD Single : A 102 HIS : no HD1:sc= -0.131 K(o=-0.13,f=-0.93) USER MOD Single : A 104 LYS NZ :NH3+ -175:sc= 1.25 (180deg=1.11) USER MOD Single : A 106 TYR OH : rot -3:sc= 1.26 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl -178:sc= -0.0796 (180deg=-0.0837) USER MOD Single : A 109 MET CE :methyl -118:sc= -0.294 (180deg=-0.532) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl -165:sc= 0 (180deg=-0.271) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 58 N PHE A -8 -0.331 -2.200 13.001 1.00 0.00 N ATOM 59 CA PHE A -8 -0.684 -2.530 11.618 1.00 0.00 C ATOM 60 C PHE A -8 0.140 -3.599 10.879 1.00 0.00 C ATOM 61 O PHE A -8 -0.386 -4.322 10.028 1.00 0.00 O ATOM 62 CB PHE A -8 -0.796 -1.205 10.846 1.00 0.00 C ATOM 63 CG PHE A -8 -0.608 -1.268 9.343 1.00 0.00 C ATOM 64 CD1 PHE A -8 0.695 -1.239 8.808 1.00 0.00 C ATOM 65 CD2 PHE A -8 -1.720 -1.326 8.483 1.00 0.00 C ATOM 66 CE1 PHE A -8 0.888 -1.287 7.420 1.00 0.00 C ATOM 67 CE2 PHE A -8 -1.525 -1.355 7.091 1.00 0.00 C ATOM 68 CZ PHE A -8 -0.222 -1.337 6.563 1.00 0.00 C ATOM 0 H1 PHE A -8 -0.976 -1.466 13.358 1.00 0.00 H new ATOM 0 H2 PHE A -8 -0.413 -3.051 13.593 1.00 0.00 H new ATOM 0 H3 PHE A -8 0.647 -1.848 13.035 1.00 0.00 H new ATOM 0 HA PHE A -8 -1.635 -3.060 11.670 1.00 0.00 H new ATOM 0 HB2 PHE A -8 -1.778 -0.777 11.047 1.00 0.00 H new ATOM 0 HB3 PHE A -8 -0.058 -0.513 11.251 1.00 0.00 H new ATOM 0 HD1 PHE A -8 1.547 -1.180 9.469 1.00 0.00 H new ATOM 0 HD2 PHE A -8 -2.720 -1.348 8.891 1.00 0.00 H new ATOM 0 HE1 PHE A -8 1.888 -1.285 7.012 1.00 0.00 H new ATOM 0 HE2 PHE A -8 -2.376 -1.391 6.427 1.00 0.00 H new ATOM 0 HZ PHE A -8 -0.075 -1.362 5.493 1.00 0.00 H new ATOM 78 N TRP A -7 1.434 -3.726 11.191 1.00 0.00 N ATOM 79 CA TRP A -7 2.359 -4.528 10.379 1.00 0.00 C ATOM 80 C TRP A -7 2.066 -6.033 10.380 1.00 0.00 C ATOM 81 O TRP A -7 2.105 -6.664 9.324 1.00 0.00 O ATOM 82 CB TRP A -7 3.810 -4.211 10.756 1.00 0.00 C ATOM 83 CG TRP A -7 4.832 -5.034 10.029 1.00 0.00 C ATOM 84 CD1 TRP A -7 5.350 -6.204 10.471 1.00 0.00 C ATOM 85 CD2 TRP A -7 5.243 -4.930 8.627 1.00 0.00 C ATOM 86 NE1 TRP A -7 6.140 -6.767 9.487 1.00 0.00 N ATOM 87 CE2 TRP A -7 6.092 -6.038 8.319 1.00 0.00 C ATOM 88 CE3 TRP A -7 4.983 -4.014 7.582 1.00 0.00 C ATOM 89 CZ2 TRP A -7 6.666 -6.218 7.051 1.00 0.00 C ATOM 90 CZ3 TRP A -7 5.564 -4.180 6.309 1.00 0.00 C ATOM 91 CH2 TRP A -7 6.403 -5.277 6.041 1.00 0.00 C ATOM 0 H TRP A -7 1.867 -3.283 12.002 1.00 0.00 H new ATOM 0 HA TRP A -7 2.195 -4.232 9.343 1.00 0.00 H new ATOM 0 HB2 TRP A -7 4.002 -3.157 10.558 1.00 0.00 H new ATOM 0 HB3 TRP A -7 3.935 -4.362 11.828 1.00 0.00 H new ATOM 0 HD1 TRP A -7 5.172 -6.633 11.446 1.00 0.00 H new ATOM 0 HE1 TRP A -7 6.690 -7.617 9.610 1.00 0.00 H new ATOM 0 HE3 TRP A -7 4.329 -3.174 7.762 1.00 0.00 H new ATOM 0 HZ2 TRP A -7 7.302 -7.069 6.854 1.00 0.00 H new ATOM 0 HZ3 TRP A -7 5.363 -3.458 5.531 1.00 0.00 H new ATOM 0 HH2 TRP A -7 6.844 -5.396 5.062 1.00 0.00 H new ATOM 102 N GLU A -6 1.680 -6.609 11.523 1.00 0.00 N ATOM 103 CA GLU A -6 1.282 -8.027 11.604 1.00 0.00 C ATOM 104 C GLU A -6 -0.007 -8.367 10.828 1.00 0.00 C ATOM 105 O GLU A -6 -0.284 -9.546 10.596 1.00 0.00 O ATOM 106 CB GLU A -6 1.206 -8.494 13.067 1.00 0.00 C ATOM 107 CG GLU A -6 2.607 -8.591 13.697 1.00 0.00 C ATOM 108 CD GLU A -6 2.637 -9.327 15.056 1.00 0.00 C ATOM 109 OE1 GLU A -6 1.573 -9.715 15.598 1.00 0.00 O ATOM 110 OE2 GLU A -6 3.752 -9.525 15.597 1.00 0.00 O ATOM 0 H GLU A -6 1.633 -6.114 12.414 1.00 0.00 H new ATOM 0 HA GLU A -6 2.070 -8.587 11.100 1.00 0.00 H new ATOM 0 HB2 GLU A -6 0.594 -7.799 13.642 1.00 0.00 H new ATOM 0 HB3 GLU A -6 0.715 -9.466 13.116 1.00 0.00 H new ATOM 0 HG2 GLU A -6 3.271 -9.105 13.003 1.00 0.00 H new ATOM 0 HG3 GLU A -6 3.004 -7.585 13.832 1.00 0.00 H new ATOM 117 N TYR A -5 -0.772 -7.354 10.401 1.00 0.00 N ATOM 118 CA TYR A -5 -1.872 -7.473 9.439 1.00 0.00 C ATOM 119 C TYR A -5 -1.465 -7.379 7.967 1.00 0.00 C ATOM 120 O TYR A -5 -1.844 -8.215 7.145 1.00 0.00 O ATOM 121 CB TYR A -5 -3.022 -6.516 9.784 1.00 0.00 C ATOM 122 CG TYR A -5 -3.906 -7.008 10.907 1.00 0.00 C ATOM 123 CD1 TYR A -5 -3.576 -6.738 12.250 1.00 0.00 C ATOM 124 CD2 TYR A -5 -5.064 -7.740 10.598 1.00 0.00 C ATOM 125 CE1 TYR A -5 -4.410 -7.207 13.284 1.00 0.00 C ATOM 126 CE2 TYR A -5 -5.911 -8.192 11.626 1.00 0.00 C ATOM 127 CZ TYR A -5 -5.584 -7.928 12.976 1.00 0.00 C ATOM 128 OH TYR A -5 -6.397 -8.352 13.982 1.00 0.00 O ATOM 0 H TYR A -5 -0.636 -6.397 10.728 1.00 0.00 H new ATOM 0 HA TYR A -5 -2.229 -8.497 9.548 1.00 0.00 H new ATOM 0 HB2 TYR A -5 -2.606 -5.547 10.059 1.00 0.00 H new ATOM 0 HB3 TYR A -5 -3.632 -6.360 8.895 1.00 0.00 H new ATOM 0 HD1 TYR A -5 -2.686 -6.173 12.486 1.00 0.00 H new ATOM 0 HD2 TYR A -5 -5.305 -7.957 9.568 1.00 0.00 H new ATOM 0 HE1 TYR A -5 -4.151 -7.015 14.315 1.00 0.00 H new ATOM 0 HE2 TYR A -5 -6.810 -8.740 11.384 1.00 0.00 H new ATOM 0 HH TYR A -5 -7.163 -8.832 13.603 1.00 0.00 H new ATOM 138 N TRP A -4 -0.640 -6.384 7.641 1.00 0.00 N ATOM 139 CA TRP A -4 -0.117 -6.155 6.290 1.00 0.00 C ATOM 140 C TRP A -4 0.836 -7.270 5.841 1.00 0.00 C ATOM 141 O TRP A -4 0.847 -7.636 4.667 1.00 0.00 O ATOM 142 CB TRP A -4 0.593 -4.801 6.299 1.00 0.00 C ATOM 143 CG TRP A -4 0.920 -4.305 4.934 1.00 0.00 C ATOM 144 CD1 TRP A -4 2.039 -4.605 4.238 1.00 0.00 C ATOM 145 CD2 TRP A -4 0.003 -3.705 3.970 1.00 0.00 C ATOM 146 NE1 TRP A -4 1.918 -4.129 2.949 1.00 0.00 N ATOM 147 CE2 TRP A -4 0.672 -3.594 2.716 1.00 0.00 C ATOM 148 CE3 TRP A -4 -1.337 -3.267 4.028 1.00 0.00 C ATOM 149 CZ2 TRP A -4 0.050 -3.061 1.579 1.00 0.00 C ATOM 150 CZ3 TRP A -4 -1.972 -2.728 2.894 1.00 0.00 C ATOM 151 CH2 TRP A -4 -1.284 -2.626 1.672 1.00 0.00 C ATOM 0 H TRP A -4 -0.309 -5.700 8.321 1.00 0.00 H new ATOM 0 HA TRP A -4 -0.939 -6.158 5.575 1.00 0.00 H new ATOM 0 HB2 TRP A -4 -0.038 -4.070 6.803 1.00 0.00 H new ATOM 0 HB3 TRP A -4 1.512 -4.883 6.879 1.00 0.00 H new ATOM 0 HD1 TRP A -4 2.895 -5.135 4.630 1.00 0.00 H new ATOM 0 HE1 TRP A -4 2.662 -4.169 2.253 1.00 0.00 H new ATOM 0 HE3 TRP A -4 -1.883 -3.347 4.956 1.00 0.00 H new ATOM 0 HZ2 TRP A -4 0.587 -2.985 0.645 1.00 0.00 H new ATOM 0 HZ3 TRP A -4 -2.995 -2.390 2.963 1.00 0.00 H new ATOM 0 HH2 TRP A -4 -1.780 -2.214 0.805 1.00 0.00 H new ATOM 162 N LEU A -3 1.568 -7.897 6.767 1.00 0.00 N ATOM 163 CA LEU A -3 2.392 -9.073 6.486 1.00 0.00 C ATOM 164 C LEU A -3 1.576 -10.234 5.875 1.00 0.00 C ATOM 165 O LEU A -3 2.093 -10.993 5.053 1.00 0.00 O ATOM 166 CB LEU A -3 3.094 -9.477 7.795 1.00 0.00 C ATOM 167 CG LEU A -3 4.163 -10.573 7.638 1.00 0.00 C ATOM 168 CD1 LEU A -3 5.387 -10.050 6.881 1.00 0.00 C ATOM 169 CD2 LEU A -3 4.623 -11.042 9.019 1.00 0.00 C ATOM 0 H LEU A -3 1.604 -7.598 7.742 1.00 0.00 H new ATOM 0 HA LEU A -3 3.136 -8.827 5.728 1.00 0.00 H new ATOM 0 HB2 LEU A -3 3.560 -8.593 8.229 1.00 0.00 H new ATOM 0 HB3 LEU A -3 2.341 -9.821 8.504 1.00 0.00 H new ATOM 0 HG LEU A -3 3.717 -11.394 7.077 1.00 0.00 H new ATOM 0 HD11 LEU A -3 6.124 -10.847 6.786 1.00 0.00 H new ATOM 0 HD12 LEU A -3 5.085 -9.715 5.889 1.00 0.00 H new ATOM 0 HD13 LEU A -3 5.824 -9.215 7.429 1.00 0.00 H new ATOM 0 HD21 LEU A -3 5.380 -11.818 8.906 1.00 0.00 H new ATOM 0 HD22 LEU A -3 5.046 -10.200 9.567 1.00 0.00 H new ATOM 0 HD23 LEU A -3 3.772 -11.443 9.569 1.00 0.00 H new ATOM 181 N ARG A -2 0.283 -10.341 6.214 1.00 0.00 N ATOM 182 CA ARG A -2 -0.625 -11.395 5.720 1.00 0.00 C ATOM 183 C ARG A -2 -0.985 -11.232 4.243 1.00 0.00 C ATOM 184 O ARG A -2 -1.240 -12.233 3.576 1.00 0.00 O ATOM 185 CB ARG A -2 -1.877 -11.504 6.611 1.00 0.00 C ATOM 186 CG ARG A -2 -1.569 -11.533 8.119 1.00 0.00 C ATOM 187 CD ARG A -2 -0.529 -12.590 8.522 1.00 0.00 C ATOM 188 NE ARG A -2 0.011 -12.323 9.862 1.00 0.00 N ATOM 189 CZ ARG A -2 1.010 -12.964 10.438 1.00 0.00 C ATOM 190 NH1 ARG A -2 1.643 -13.944 9.858 1.00 0.00 N ATOM 191 NH2 ARG A -2 1.400 -12.613 11.630 1.00 0.00 N ATOM 0 H ARG A -2 -0.173 -9.687 6.851 1.00 0.00 H new ATOM 0 HA ARG A -2 -0.081 -12.337 5.787 1.00 0.00 H new ATOM 0 HB2 ARG A -2 -2.535 -10.661 6.401 1.00 0.00 H new ATOM 0 HB3 ARG A -2 -2.423 -12.409 6.344 1.00 0.00 H new ATOM 0 HG2 ARG A -2 -1.211 -10.550 8.426 1.00 0.00 H new ATOM 0 HG3 ARG A -2 -2.494 -11.720 8.665 1.00 0.00 H new ATOM 0 HD2 ARG A -2 -0.986 -13.579 8.502 1.00 0.00 H new ATOM 0 HD3 ARG A -2 0.283 -12.600 7.795 1.00 0.00 H new ATOM 0 HE ARG A -2 -0.427 -11.573 10.396 1.00 0.00 H new ATOM 0 HH11 ARG A -2 1.371 -14.243 8.921 1.00 0.00 H new ATOM 0 HH12 ARG A -2 2.410 -14.412 10.340 1.00 0.00 H new ATOM 0 HH21 ARG A -2 0.934 -11.846 12.114 1.00 0.00 H new ATOM 0 HH22 ARG A -2 2.172 -13.105 12.080 1.00 0.00 H new ATOM 205 N LEU A -1 -0.912 -10.011 3.703 1.00 0.00 N ATOM 206 CA LEU A -1 -1.017 -9.775 2.259 1.00 0.00 C ATOM 207 C LEU A -1 0.158 -10.403 1.504 1.00 0.00 C ATOM 208 O LEU A -1 -0.065 -11.129 0.535 1.00 0.00 O ATOM 209 CB LEU A -1 -1.039 -8.273 1.955 1.00 0.00 C ATOM 210 CG LEU A -1 -2.362 -7.564 2.244 1.00 0.00 C ATOM 211 CD1 LEU A -1 -2.098 -6.081 2.049 1.00 0.00 C ATOM 212 CD2 LEU A -1 -3.468 -7.973 1.269 1.00 0.00 C ATOM 0 H LEU A -1 -0.779 -9.162 4.252 1.00 0.00 H new ATOM 0 HA LEU A -1 -1.947 -10.237 1.928 1.00 0.00 H new ATOM 0 HB2 LEU A -1 -0.253 -7.791 2.536 1.00 0.00 H new ATOM 0 HB3 LEU A -1 -0.791 -8.129 0.903 1.00 0.00 H new ATOM 0 HG LEU A -1 -2.695 -7.822 3.249 1.00 0.00 H new ATOM 0 HD11 LEU A -1 -3.012 -5.520 2.243 1.00 0.00 H new ATOM 0 HD12 LEU A -1 -1.320 -5.756 2.740 1.00 0.00 H new ATOM 0 HD13 LEU A -1 -1.772 -5.901 1.025 1.00 0.00 H new ATOM 0 HD21 LEU A -1 -4.387 -7.442 1.517 1.00 0.00 H new ATOM 0 HD22 LEU A -1 -3.167 -7.722 0.252 1.00 0.00 H new ATOM 0 HD23 LEU A -1 -3.639 -9.047 1.343 1.00 0.00 H new ATOM 224 N MET A 0 1.400 -10.149 1.933 1.00 0.00 N ATOM 225 CA MET A 0 2.559 -10.710 1.234 1.00 0.00 C ATOM 226 C MET A 0 2.710 -12.221 1.494 1.00 0.00 C ATOM 227 O MET A 0 3.138 -12.953 0.605 1.00 0.00 O ATOM 228 CB MET A 0 3.851 -9.932 1.531 1.00 0.00 C ATOM 229 CG MET A 0 4.374 -10.057 2.965 1.00 0.00 C ATOM 230 SD MET A 0 6.089 -9.505 3.177 1.00 0.00 S ATOM 231 CE MET A 0 5.853 -7.713 3.113 1.00 0.00 C ATOM 0 H MET A 0 1.625 -9.571 2.743 1.00 0.00 H new ATOM 0 HA MET A 0 2.371 -10.593 0.167 1.00 0.00 H new ATOM 0 HB2 MET A 0 4.628 -10.275 0.847 1.00 0.00 H new ATOM 0 HB3 MET A 0 3.679 -8.878 1.315 1.00 0.00 H new ATOM 0 HG2 MET A 0 3.732 -9.476 3.627 1.00 0.00 H new ATOM 0 HG3 MET A 0 4.297 -11.098 3.279 1.00 0.00 H new ATOM 0 HE1 MET A 0 6.807 -7.214 3.282 1.00 0.00 H new ATOM 0 HE2 MET A 0 5.465 -7.432 2.134 1.00 0.00 H new ATOM 0 HE3 MET A 0 5.145 -7.412 3.885 1.00 0.00 H new ATOM 241 N GLU A 1 2.292 -12.715 2.668 1.00 0.00 N ATOM 242 CA GLU A 1 2.216 -14.150 2.992 1.00 0.00 C ATOM 243 C GLU A 1 1.188 -14.881 2.104 1.00 0.00 C ATOM 244 O GLU A 1 1.460 -15.968 1.592 1.00 0.00 O ATOM 245 CB GLU A 1 1.887 -14.295 4.489 1.00 0.00 C ATOM 246 CG GLU A 1 1.867 -15.747 4.990 1.00 0.00 C ATOM 247 CD GLU A 1 1.572 -15.879 6.503 1.00 0.00 C ATOM 248 OE1 GLU A 1 1.412 -14.858 7.218 1.00 0.00 O ATOM 249 OE2 GLU A 1 1.497 -17.031 6.992 1.00 0.00 O ATOM 0 H GLU A 1 1.990 -12.116 3.437 1.00 0.00 H new ATOM 0 HA GLU A 1 3.177 -14.621 2.787 1.00 0.00 H new ATOM 0 HB2 GLU A 1 2.620 -13.733 5.067 1.00 0.00 H new ATOM 0 HB3 GLU A 1 0.914 -13.842 4.682 1.00 0.00 H new ATOM 0 HG2 GLU A 1 1.114 -16.304 4.432 1.00 0.00 H new ATOM 0 HG3 GLU A 1 2.830 -16.210 4.775 1.00 0.00 H new ATOM 678 N LEU A 33 8.782 -8.843 -12.282 1.00 0.00 N ATOM 679 CA LEU A 33 8.828 -7.376 -12.282 1.00 0.00 C ATOM 680 C LEU A 33 7.592 -6.733 -12.931 1.00 0.00 C ATOM 681 O LEU A 33 7.016 -7.258 -13.888 1.00 0.00 O ATOM 682 CB LEU A 33 10.085 -6.870 -13.016 1.00 0.00 C ATOM 683 CG LEU A 33 11.430 -7.120 -12.314 1.00 0.00 C ATOM 684 CD1 LEU A 33 12.545 -6.596 -13.223 1.00 0.00 C ATOM 685 CD2 LEU A 33 11.542 -6.396 -10.970 1.00 0.00 C ATOM 0 HA LEU A 33 8.851 -7.081 -11.233 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.120 -7.340 -13.999 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.978 -5.798 -13.179 1.00 0.00 H new ATOM 0 HG LEU A 33 11.510 -8.191 -12.125 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.511 -6.762 -12.746 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.515 -7.124 -14.176 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.403 -5.529 -13.394 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.512 -6.610 -10.521 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.443 -5.322 -11.126 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.751 -6.740 -10.304 1.00 0.00 H new ATOM 697 N VAL A 34 7.268 -5.535 -12.448 1.00 0.00 N ATOM 698 CA VAL A 34 6.293 -4.579 -12.993 1.00 0.00 C ATOM 699 C VAL A 34 6.855 -3.162 -13.037 1.00 0.00 C ATOM 700 O VAL A 34 7.777 -2.831 -12.284 1.00 0.00 O ATOM 701 CB VAL A 34 4.933 -4.614 -12.258 1.00 0.00 C ATOM 702 CG1 VAL A 34 4.459 -6.032 -11.967 1.00 0.00 C ATOM 703 CG2 VAL A 34 4.926 -3.829 -10.939 1.00 0.00 C ATOM 0 H VAL A 34 7.711 -5.176 -11.602 1.00 0.00 H new ATOM 0 HA VAL A 34 6.102 -4.900 -14.017 1.00 0.00 H new ATOM 0 HB VAL A 34 4.249 -4.132 -12.956 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.500 -5.996 -11.450 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.346 -6.577 -12.904 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.191 -6.539 -11.338 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.940 -3.898 -10.480 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.672 -4.247 -10.263 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.162 -2.783 -11.137 1.00 0.00 H new ATOM 713 N ARG A 35 6.269 -2.309 -13.882 1.00 0.00 N ATOM 714 CA ARG A 35 6.527 -0.860 -13.892 1.00 0.00 C ATOM 715 C ARG A 35 5.239 -0.130 -13.465 1.00 0.00 C ATOM 716 O ARG A 35 4.361 0.084 -14.303 1.00 0.00 O ATOM 717 CB ARG A 35 7.086 -0.429 -15.263 1.00 0.00 C ATOM 718 CG ARG A 35 7.848 0.912 -15.189 1.00 0.00 C ATOM 719 CD ARG A 35 7.238 2.029 -16.044 1.00 0.00 C ATOM 720 NE ARG A 35 5.958 2.519 -15.491 1.00 0.00 N ATOM 721 CZ ARG A 35 4.874 2.867 -16.159 1.00 0.00 C ATOM 722 NH1 ARG A 35 4.805 2.844 -17.461 1.00 0.00 N ATOM 723 NH2 ARG A 35 3.825 3.265 -15.503 1.00 0.00 N ATOM 0 H ARG A 35 5.594 -2.605 -14.587 1.00 0.00 H new ATOM 0 HA ARG A 35 7.298 -0.585 -13.172 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.754 -1.203 -15.641 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.266 -0.340 -15.976 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.881 1.241 -14.151 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.879 0.749 -15.505 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.943 2.858 -16.113 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.077 1.662 -17.058 1.00 0.00 H new ATOM 0 HE ARG A 35 5.906 2.597 -14.475 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.612 2.547 -18.009 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.944 3.123 -17.931 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.846 3.306 -14.484 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.981 3.537 -16.007 1.00 0.00 H new ATOM 737 N PRO A 36 5.067 0.179 -12.164 1.00 0.00 N ATOM 738 CA PRO A 36 3.821 0.739 -11.626 1.00 0.00 C ATOM 739 C PRO A 36 3.536 2.183 -12.081 1.00 0.00 C ATOM 740 O PRO A 36 4.367 2.826 -12.735 1.00 0.00 O ATOM 741 CB PRO A 36 3.967 0.631 -10.106 1.00 0.00 C ATOM 742 CG PRO A 36 5.470 0.632 -9.855 1.00 0.00 C ATOM 743 CD PRO A 36 6.018 -0.083 -11.086 1.00 0.00 C ATOM 0 HA PRO A 36 2.959 0.188 -12.002 1.00 0.00 H new ATOM 0 HB2 PRO A 36 3.482 1.467 -9.602 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.504 -0.281 -9.728 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.865 1.644 -9.766 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.727 0.108 -8.935 1.00 0.00 H new ATOM 0 HD2 PRO A 36 7.010 0.288 -11.343 1.00 0.00 H new ATOM 0 HD3 PRO A 36 6.115 -1.153 -10.904 1.00 0.00 H new ATOM 751 N LYS A 37 2.349 2.710 -11.741 1.00 0.00 N ATOM 752 CA LYS A 37 1.967 4.121 -11.977 1.00 0.00 C ATOM 753 C LYS A 37 2.907 5.106 -11.239 1.00 0.00 C ATOM 754 O LYS A 37 3.424 4.764 -10.171 1.00 0.00 O ATOM 755 CB LYS A 37 0.472 4.340 -11.637 1.00 0.00 C ATOM 756 CG LYS A 37 0.082 4.169 -10.155 1.00 0.00 C ATOM 757 CD LYS A 37 -1.285 4.799 -9.826 1.00 0.00 C ATOM 758 CE LYS A 37 -2.479 4.117 -10.509 1.00 0.00 C ATOM 759 NZ LYS A 37 -3.753 4.835 -10.231 1.00 0.00 N ATOM 0 H LYS A 37 1.615 2.165 -11.288 1.00 0.00 H new ATOM 0 HA LYS A 37 2.091 4.339 -13.038 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.192 5.345 -11.952 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.121 3.644 -12.230 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.057 3.107 -9.910 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.848 4.623 -9.527 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.434 4.770 -8.747 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.267 5.849 -10.117 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.310 4.078 -11.585 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.558 3.087 -10.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.538 4.347 -10.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.926 4.850 -9.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.686 5.811 -10.585 1.00 0.00 H new ATOM 773 N PRO A 38 3.121 6.338 -11.746 1.00 0.00 N ATOM 774 CA PRO A 38 4.079 7.288 -11.161 1.00 0.00 C ATOM 775 C PRO A 38 3.723 7.743 -9.734 1.00 0.00 C ATOM 776 O PRO A 38 4.626 8.006 -8.940 1.00 0.00 O ATOM 777 CB PRO A 38 4.140 8.468 -12.140 1.00 0.00 C ATOM 778 CG PRO A 38 2.807 8.401 -12.881 1.00 0.00 C ATOM 779 CD PRO A 38 2.549 6.899 -12.964 1.00 0.00 C ATOM 0 HA PRO A 38 5.049 6.806 -11.036 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.258 9.416 -11.616 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.983 8.375 -12.825 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.016 8.919 -12.340 1.00 0.00 H new ATOM 0 HG3 PRO A 38 2.869 8.857 -13.869 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.482 6.687 -13.030 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.015 6.469 -13.851 1.00 0.00 H new ATOM 787 N LEU A 39 2.434 7.764 -9.365 1.00 0.00 N ATOM 788 CA LEU A 39 1.993 8.011 -7.981 1.00 0.00 C ATOM 789 C LEU A 39 2.505 6.937 -7.008 1.00 0.00 C ATOM 790 O LEU A 39 2.830 7.244 -5.861 1.00 0.00 O ATOM 791 CB LEU A 39 0.454 8.037 -7.919 1.00 0.00 C ATOM 792 CG LEU A 39 -0.228 9.211 -8.638 1.00 0.00 C ATOM 793 CD1 LEU A 39 -1.742 9.014 -8.552 1.00 0.00 C ATOM 794 CD2 LEU A 39 0.116 10.561 -8.007 1.00 0.00 C ATOM 0 H LEU A 39 1.665 7.610 -10.018 1.00 0.00 H new ATOM 0 HA LEU A 39 2.408 8.973 -7.680 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.077 7.107 -8.345 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.152 8.053 -6.872 1.00 0.00 H new ATOM 0 HG LEU A 39 0.126 9.222 -9.669 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.245 9.838 -9.057 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.014 8.074 -9.031 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.047 8.989 -7.506 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.391 11.357 -8.552 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.209 10.570 -6.967 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.193 10.720 -8.052 1.00 0.00 H new ATOM 806 N LEU A 40 2.598 5.682 -7.460 1.00 0.00 N ATOM 807 CA LEU A 40 3.105 4.582 -6.645 1.00 0.00 C ATOM 808 C LEU A 40 4.622 4.652 -6.542 1.00 0.00 C ATOM 809 O LEU A 40 5.154 4.573 -5.445 1.00 0.00 O ATOM 810 CB LEU A 40 2.599 3.244 -7.206 1.00 0.00 C ATOM 811 CG LEU A 40 2.948 2.005 -6.356 1.00 0.00 C ATOM 812 CD1 LEU A 40 2.624 2.166 -4.868 1.00 0.00 C ATOM 813 CD2 LEU A 40 2.130 0.816 -6.854 1.00 0.00 C ATOM 0 H LEU A 40 2.323 5.404 -8.402 1.00 0.00 H new ATOM 0 HA LEU A 40 2.724 4.667 -5.627 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.516 3.299 -7.313 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.011 3.108 -8.206 1.00 0.00 H new ATOM 0 HG LEU A 40 4.024 1.862 -6.460 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.897 1.255 -4.336 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.187 3.006 -4.462 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.557 2.352 -4.746 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.370 -0.065 -6.259 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.068 1.040 -6.759 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.368 0.623 -7.900 1.00 0.00 H new ATOM 825 N LEU A 41 5.321 4.922 -7.646 1.00 0.00 N ATOM 826 CA LEU A 41 6.765 5.176 -7.614 1.00 0.00 C ATOM 827 C LEU A 41 7.125 6.328 -6.651 1.00 0.00 C ATOM 828 O LEU A 41 8.029 6.176 -5.833 1.00 0.00 O ATOM 829 CB LEU A 41 7.263 5.392 -9.051 1.00 0.00 C ATOM 830 CG LEU A 41 8.754 5.754 -9.155 1.00 0.00 C ATOM 831 CD1 LEU A 41 9.671 4.710 -8.507 1.00 0.00 C ATOM 832 CD2 LEU A 41 9.145 5.893 -10.624 1.00 0.00 C ATOM 0 H LEU A 41 4.909 4.971 -8.578 1.00 0.00 H new ATOM 0 HA LEU A 41 7.285 4.308 -7.208 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.080 4.485 -9.627 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.675 6.186 -9.512 1.00 0.00 H new ATOM 0 HG LEU A 41 8.885 6.693 -8.618 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.710 5.022 -8.613 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.426 4.617 -7.449 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.530 3.747 -8.998 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.202 6.150 -10.696 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.964 4.950 -11.139 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.548 6.679 -11.087 1.00 0.00 H new ATOM 844 N LYS A 42 6.364 7.430 -6.655 1.00 0.00 N ATOM 845 CA LYS A 42 6.479 8.521 -5.665 1.00 0.00 C ATOM 846 C LYS A 42 6.280 8.030 -4.222 1.00 0.00 C ATOM 847 O LYS A 42 7.043 8.416 -3.336 1.00 0.00 O ATOM 848 CB LYS A 42 5.464 9.619 -6.039 1.00 0.00 C ATOM 849 CG LYS A 42 5.432 10.816 -5.071 1.00 0.00 C ATOM 850 CD LYS A 42 4.219 11.732 -5.315 1.00 0.00 C ATOM 851 CE LYS A 42 4.138 12.350 -6.719 1.00 0.00 C ATOM 852 NZ LYS A 42 5.249 13.301 -6.991 1.00 0.00 N ATOM 0 H LYS A 42 5.640 7.596 -7.354 1.00 0.00 H new ATOM 0 HA LYS A 42 7.491 8.925 -5.696 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.695 9.984 -7.040 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.469 9.176 -6.082 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.407 10.450 -4.045 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.349 11.394 -5.181 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.309 11.159 -5.135 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.239 12.538 -4.581 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.156 11.554 -7.464 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.186 12.869 -6.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.147 13.689 -7.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.219 14.077 -6.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.159 12.803 -6.914 1.00 0.00 H new ATOM 866 N LEU A 43 5.298 7.161 -3.975 1.00 0.00 N ATOM 867 CA LEU A 43 5.013 6.594 -2.651 1.00 0.00 C ATOM 868 C LEU A 43 6.148 5.669 -2.171 1.00 0.00 C ATOM 869 O LEU A 43 6.578 5.762 -1.021 1.00 0.00 O ATOM 870 CB LEU A 43 3.637 5.903 -2.713 1.00 0.00 C ATOM 871 CG LEU A 43 3.124 5.357 -1.368 1.00 0.00 C ATOM 872 CD1 LEU A 43 1.595 5.298 -1.394 1.00 0.00 C ATOM 873 CD2 LEU A 43 3.628 3.943 -1.060 1.00 0.00 C ATOM 0 H LEU A 43 4.666 6.824 -4.701 1.00 0.00 H new ATOM 0 HA LEU A 43 4.968 7.383 -1.900 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.907 6.613 -3.102 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.692 5.080 -3.425 1.00 0.00 H new ATOM 0 HG LEU A 43 3.499 6.033 -0.600 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.230 4.912 -0.443 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.195 6.299 -1.557 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.270 4.641 -2.201 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.231 3.616 -0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.295 3.260 -1.841 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.717 3.946 -1.020 1.00 0.00 H new ATOM 885 N LEU A 44 6.690 4.828 -3.059 1.00 0.00 N ATOM 886 CA LEU A 44 7.833 3.953 -2.781 1.00 0.00 C ATOM 887 C LEU A 44 9.097 4.791 -2.488 1.00 0.00 C ATOM 888 O LEU A 44 9.826 4.530 -1.531 1.00 0.00 O ATOM 889 CB LEU A 44 8.035 2.994 -3.978 1.00 0.00 C ATOM 890 CG LEU A 44 6.838 2.076 -4.316 1.00 0.00 C ATOM 891 CD1 LEU A 44 7.044 1.407 -5.678 1.00 0.00 C ATOM 892 CD2 LEU A 44 6.634 0.968 -3.295 1.00 0.00 C ATOM 0 H LEU A 44 6.338 4.735 -4.012 1.00 0.00 H new ATOM 0 HA LEU A 44 7.638 3.355 -1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.272 3.589 -4.860 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.903 2.367 -3.774 1.00 0.00 H new ATOM 0 HG LEU A 44 5.961 2.723 -4.317 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.192 0.764 -5.900 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.132 2.172 -6.449 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.954 0.808 -5.655 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.780 0.357 -3.587 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.527 0.345 -3.251 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.449 1.406 -2.314 1.00 0.00 H new ATOM 904 N LYS A 45 9.329 5.862 -3.253 1.00 0.00 N ATOM 905 CA LYS A 45 10.442 6.810 -3.051 1.00 0.00 C ATOM 906 C LYS A 45 10.299 7.698 -1.813 1.00 0.00 C ATOM 907 O LYS A 45 11.314 8.115 -1.257 1.00 0.00 O ATOM 908 CB LYS A 45 10.637 7.646 -4.319 1.00 0.00 C ATOM 909 CG LYS A 45 11.162 6.759 -5.459 1.00 0.00 C ATOM 910 CD LYS A 45 11.087 7.478 -6.804 1.00 0.00 C ATOM 911 CE LYS A 45 12.290 8.386 -7.009 1.00 0.00 C ATOM 912 NZ LYS A 45 12.169 9.214 -8.237 1.00 0.00 N ATOM 0 H LYS A 45 8.739 6.104 -4.049 1.00 0.00 H new ATOM 0 HA LYS A 45 11.332 6.212 -2.858 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.692 8.105 -4.610 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.339 8.457 -4.125 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.194 6.474 -5.254 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.580 5.839 -5.504 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.040 6.745 -7.609 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.171 8.066 -6.854 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.402 9.039 -6.143 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.194 7.780 -7.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.012 9.816 -8.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.089 8.593 -9.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.322 9.813 -8.170 1.00 0.00 H new ATOM 926 N SER A 46 9.079 7.902 -1.309 1.00 0.00 N ATOM 927 CA SER A 46 8.833 8.558 -0.009 1.00 0.00 C ATOM 928 C SER A 46 9.391 7.760 1.182 1.00 0.00 C ATOM 929 O SER A 46 9.649 8.336 2.240 1.00 0.00 O ATOM 930 CB SER A 46 7.337 8.829 0.193 1.00 0.00 C ATOM 931 OG SER A 46 6.857 9.726 -0.794 1.00 0.00 O ATOM 0 H SER A 46 8.225 7.617 -1.789 1.00 0.00 H new ATOM 0 HA SER A 46 9.371 9.506 -0.040 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.782 7.892 0.142 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.168 9.247 1.185 1.00 0.00 H new ATOM 0 HG SER A 46 6.911 9.302 -1.676 1.00 0.00 H new ATOM 937 N VAL A 47 9.633 6.454 0.999 1.00 0.00 N ATOM 938 CA VAL A 47 10.376 5.570 1.926 1.00 0.00 C ATOM 939 C VAL A 47 11.743 5.122 1.374 1.00 0.00 C ATOM 940 O VAL A 47 12.369 4.207 1.913 1.00 0.00 O ATOM 941 CB VAL A 47 9.507 4.407 2.450 1.00 0.00 C ATOM 942 CG1 VAL A 47 8.227 4.925 3.109 1.00 0.00 C ATOM 943 CG2 VAL A 47 9.117 3.395 1.368 1.00 0.00 C ATOM 0 H VAL A 47 9.306 5.959 0.169 1.00 0.00 H new ATOM 0 HA VAL A 47 10.617 6.176 2.800 1.00 0.00 H new ATOM 0 HB VAL A 47 10.134 3.895 3.180 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.636 4.082 3.468 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.485 5.571 3.948 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.646 5.491 2.381 1.00 0.00 H new ATOM 0 HG21 VAL A 47 8.507 2.607 1.810 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.548 3.899 0.587 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.018 2.958 0.937 1.00 0.00 H new ATOM 953 N GLY A 48 12.245 5.795 0.331 1.00 0.00 N ATOM 954 CA GLY A 48 13.615 5.665 -0.174 1.00 0.00 C ATOM 955 C GLY A 48 13.869 4.491 -1.124 1.00 0.00 C ATOM 956 O GLY A 48 14.991 3.979 -1.155 1.00 0.00 O ATOM 0 H GLY A 48 11.690 6.466 -0.201 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.881 6.588 -0.689 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.288 5.570 0.678 1.00 0.00 H new ATOM 960 N ALA A 49 12.868 4.044 -1.892 1.00 0.00 N ATOM 961 CA ALA A 49 13.034 2.943 -2.838 1.00 0.00 C ATOM 962 C ALA A 49 13.929 3.359 -4.030 1.00 0.00 C ATOM 963 O ALA A 49 13.822 4.480 -4.536 1.00 0.00 O ATOM 964 CB ALA A 49 11.641 2.473 -3.248 1.00 0.00 C ATOM 0 H ALA A 49 11.926 4.435 -1.873 1.00 0.00 H new ATOM 0 HA ALA A 49 13.559 2.105 -2.379 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.729 1.649 -3.956 1.00 0.00 H new ATOM 0 HB2 ALA A 49 11.096 2.137 -2.366 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.102 3.297 -3.715 1.00 0.00 H new ATOM 970 N GLN A 50 14.838 2.475 -4.459 1.00 0.00 N ATOM 971 CA GLN A 50 15.930 2.806 -5.396 1.00 0.00 C ATOM 972 C GLN A 50 15.728 2.369 -6.862 1.00 0.00 C ATOM 973 O GLN A 50 16.499 2.785 -7.733 1.00 0.00 O ATOM 974 CB GLN A 50 17.240 2.207 -4.844 1.00 0.00 C ATOM 975 CG GLN A 50 17.646 2.754 -3.463 1.00 0.00 C ATOM 976 CD GLN A 50 17.896 4.264 -3.460 1.00 0.00 C ATOM 977 OE1 GLN A 50 18.661 4.803 -4.250 1.00 0.00 O ATOM 978 NE2 GLN A 50 17.283 5.006 -2.562 1.00 0.00 N ATOM 0 H GLN A 50 14.840 1.498 -4.165 1.00 0.00 H new ATOM 0 HA GLN A 50 15.956 3.894 -5.447 1.00 0.00 H new ATOM 0 HB2 GLN A 50 17.133 1.124 -4.777 1.00 0.00 H new ATOM 0 HB3 GLN A 50 18.045 2.404 -5.552 1.00 0.00 H new ATOM 0 HG2 GLN A 50 16.862 2.521 -2.743 1.00 0.00 H new ATOM 0 HG3 GLN A 50 18.548 2.243 -3.128 1.00 0.00 H new ATOM 0 HE21 GLN A 50 16.642 4.575 -1.896 1.00 0.00 H new ATOM 0 HE22 GLN A 50 17.449 6.012 -2.533 1.00 0.00 H new ATOM 987 N LYS A 51 14.743 1.509 -7.149 1.00 0.00 N ATOM 988 CA LYS A 51 14.566 0.845 -8.456 1.00 0.00 C ATOM 989 C LYS A 51 13.645 1.629 -9.402 1.00 0.00 C ATOM 990 O LYS A 51 12.852 2.472 -8.976 1.00 0.00 O ATOM 991 CB LYS A 51 14.007 -0.581 -8.273 1.00 0.00 C ATOM 992 CG LYS A 51 14.646 -1.410 -7.145 1.00 0.00 C ATOM 993 CD LYS A 51 13.957 -2.773 -6.988 1.00 0.00 C ATOM 994 CE LYS A 51 14.324 -3.760 -8.099 1.00 0.00 C ATOM 995 NZ LYS A 51 13.698 -5.080 -7.849 1.00 0.00 N ATOM 0 H LYS A 51 14.030 1.247 -6.469 1.00 0.00 H new ATOM 0 HA LYS A 51 15.555 0.803 -8.911 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.936 -0.510 -8.084 1.00 0.00 H new ATOM 0 HB3 LYS A 51 14.130 -1.123 -9.211 1.00 0.00 H new ATOM 0 HG2 LYS A 51 15.705 -1.559 -7.357 1.00 0.00 H new ATOM 0 HG3 LYS A 51 14.583 -0.859 -6.207 1.00 0.00 H new ATOM 0 HD2 LYS A 51 14.229 -3.202 -6.024 1.00 0.00 H new ATOM 0 HD3 LYS A 51 12.877 -2.629 -6.980 1.00 0.00 H new ATOM 0 HE2 LYS A 51 13.994 -3.371 -9.062 1.00 0.00 H new ATOM 0 HE3 LYS A 51 15.407 -3.869 -8.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.693 -5.634 -8.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 14.240 -5.589 -7.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.721 -4.944 -7.520 1.00 0.00 H new ATOM 1009 N ASP A 52 13.713 1.295 -10.688 1.00 0.00 N ATOM 1010 CA ASP A 52 12.777 1.719 -11.742 1.00 0.00 C ATOM 1011 C ASP A 52 11.669 0.699 -12.093 1.00 0.00 C ATOM 1012 O ASP A 52 10.758 1.000 -12.868 1.00 0.00 O ATOM 1013 CB ASP A 52 13.509 2.275 -12.980 1.00 0.00 C ATOM 1014 CG ASP A 52 14.691 1.441 -13.519 1.00 0.00 C ATOM 1015 OD1 ASP A 52 14.986 0.333 -13.010 1.00 0.00 O ATOM 1016 OD2 ASP A 52 15.343 1.911 -14.484 1.00 0.00 O ATOM 0 H ASP A 52 14.454 0.693 -11.047 1.00 0.00 H new ATOM 0 HA ASP A 52 12.222 2.546 -11.300 1.00 0.00 H new ATOM 0 HB2 ASP A 52 12.781 2.391 -13.782 1.00 0.00 H new ATOM 0 HB3 ASP A 52 13.878 3.272 -12.738 1.00 0.00 H new ATOM 1021 N THR A 53 11.722 -0.496 -11.494 1.00 0.00 N ATOM 1022 CA THR A 53 10.772 -1.611 -11.677 1.00 0.00 C ATOM 1023 C THR A 53 10.801 -2.413 -10.371 1.00 0.00 C ATOM 1024 O THR A 53 11.821 -2.475 -9.679 1.00 0.00 O ATOM 1025 CB THR A 53 11.209 -2.586 -12.791 1.00 0.00 C ATOM 1026 OG1 THR A 53 12.612 -2.769 -12.829 1.00 0.00 O ATOM 1027 CG2 THR A 53 10.769 -2.124 -14.177 1.00 0.00 C ATOM 0 H THR A 53 12.464 -0.728 -10.834 1.00 0.00 H new ATOM 0 HA THR A 53 9.797 -1.199 -11.939 1.00 0.00 H new ATOM 0 HB THR A 53 10.718 -3.527 -12.541 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.841 -3.395 -13.548 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.102 -2.845 -14.924 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.682 -2.046 -14.207 1.00 0.00 H new ATOM 0 HG23 THR A 53 11.208 -1.150 -14.392 1.00 0.00 H new ATOM 1035 N TYR A 54 9.677 -3.045 -10.032 1.00 0.00 N ATOM 1036 CA TYR A 54 9.461 -3.705 -8.739 1.00 0.00 C ATOM 1037 C TYR A 54 8.708 -5.032 -8.826 1.00 0.00 C ATOM 1038 O TYR A 54 7.877 -5.203 -9.716 1.00 0.00 O ATOM 1039 CB TYR A 54 8.732 -2.756 -7.774 1.00 0.00 C ATOM 1040 CG TYR A 54 9.519 -1.530 -7.361 1.00 0.00 C ATOM 1041 CD1 TYR A 54 9.441 -0.356 -8.138 1.00 0.00 C ATOM 1042 CD2 TYR A 54 10.340 -1.564 -6.216 1.00 0.00 C ATOM 1043 CE1 TYR A 54 10.210 0.770 -7.792 1.00 0.00 C ATOM 1044 CE2 TYR A 54 11.094 -0.431 -5.856 1.00 0.00 C ATOM 1045 CZ TYR A 54 11.037 0.735 -6.649 1.00 0.00 C ATOM 1046 OH TYR A 54 11.818 1.805 -6.348 1.00 0.00 O ATOM 0 H TYR A 54 8.875 -3.115 -10.658 1.00 0.00 H new ATOM 0 HA TYR A 54 10.455 -3.946 -8.363 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.802 -2.431 -8.242 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.460 -3.313 -6.877 1.00 0.00 H new ATOM 0 HD1 TYR A 54 8.790 -0.321 -8.999 1.00 0.00 H new ATOM 0 HD2 TYR A 54 10.391 -2.460 -5.615 1.00 0.00 H new ATOM 0 HE1 TYR A 54 10.168 1.661 -8.401 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.716 -0.454 -4.973 1.00 0.00 H new ATOM 0 HH TYR A 54 12.229 2.151 -7.168 1.00 0.00 H new ATOM 1056 N THR A 55 8.966 -5.973 -7.921 1.00 0.00 N ATOM 1057 CA THR A 55 8.092 -7.148 -7.742 1.00 0.00 C ATOM 1058 C THR A 55 6.815 -6.826 -6.971 1.00 0.00 C ATOM 1059 O THR A 55 6.809 -5.892 -6.168 1.00 0.00 O ATOM 1060 CB THR A 55 8.782 -8.420 -7.221 1.00 0.00 C ATOM 1061 OG1 THR A 55 8.695 -8.490 -5.811 1.00 0.00 O ATOM 1062 CG2 THR A 55 10.249 -8.571 -7.613 1.00 0.00 C ATOM 0 H THR A 55 9.772 -5.952 -7.296 1.00 0.00 H new ATOM 0 HA THR A 55 7.804 -7.403 -8.762 1.00 0.00 H new ATOM 0 HB THR A 55 8.241 -9.234 -7.702 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.137 -9.306 -5.496 1.00 0.00 H new ATOM 0 HG21 THR A 55 10.643 -9.498 -7.197 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.335 -8.595 -8.699 1.00 0.00 H new ATOM 0 HG23 THR A 55 10.819 -7.728 -7.223 1.00 0.00 H new ATOM 1070 N MET A 56 5.730 -7.587 -7.143 1.00 0.00 N ATOM 1071 CA MET A 56 4.506 -7.351 -6.360 1.00 0.00 C ATOM 1072 C MET A 56 4.746 -7.469 -4.842 1.00 0.00 C ATOM 1073 O MET A 56 4.172 -6.703 -4.065 1.00 0.00 O ATOM 1074 CB MET A 56 3.384 -8.296 -6.814 1.00 0.00 C ATOM 1075 CG MET A 56 2.974 -8.084 -8.281 1.00 0.00 C ATOM 1076 SD MET A 56 2.548 -6.395 -8.771 1.00 0.00 S ATOM 1077 CE MET A 56 0.876 -6.442 -8.128 1.00 0.00 C ATOM 0 H MET A 56 5.670 -8.360 -7.805 1.00 0.00 H new ATOM 0 HA MET A 56 4.197 -6.323 -6.550 1.00 0.00 H new ATOM 0 HB2 MET A 56 3.709 -9.328 -6.679 1.00 0.00 H new ATOM 0 HB3 MET A 56 2.513 -8.150 -6.175 1.00 0.00 H new ATOM 0 HG2 MET A 56 3.792 -8.426 -8.915 1.00 0.00 H new ATOM 0 HG3 MET A 56 2.118 -8.725 -8.491 1.00 0.00 H new ATOM 0 HE1 MET A 56 0.388 -5.485 -8.313 1.00 0.00 H new ATOM 0 HE2 MET A 56 0.318 -7.236 -8.624 1.00 0.00 H new ATOM 0 HE3 MET A 56 0.904 -6.633 -7.055 1.00 0.00 H new ATOM 1087 N LYS A 57 5.648 -8.366 -4.415 1.00 0.00 N ATOM 1088 CA LYS A 57 6.057 -8.512 -3.009 1.00 0.00 C ATOM 1089 C LYS A 57 6.970 -7.373 -2.534 1.00 0.00 C ATOM 1090 O LYS A 57 6.825 -6.928 -1.398 1.00 0.00 O ATOM 1091 CB LYS A 57 6.667 -9.911 -2.816 1.00 0.00 C ATOM 1092 CG LYS A 57 6.865 -10.284 -1.336 1.00 0.00 C ATOM 1093 CD LYS A 57 8.319 -10.157 -0.863 1.00 0.00 C ATOM 1094 CE LYS A 57 8.421 -10.585 0.606 1.00 0.00 C ATOM 1095 NZ LYS A 57 9.816 -10.929 0.981 1.00 0.00 N ATOM 0 H LYS A 57 6.119 -9.017 -5.043 1.00 0.00 H new ATOM 0 HA LYS A 57 5.179 -8.428 -2.368 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.020 -10.651 -3.288 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.628 -9.955 -3.328 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.234 -9.643 -0.720 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.528 -11.309 -1.179 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.968 -10.779 -1.479 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.661 -9.128 -0.977 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.060 -9.780 1.246 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.774 -11.445 0.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.847 -11.214 1.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.152 -11.714 0.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.428 -10.101 0.838 1.00 0.00 H new ATOM 1109 N GLU A 58 7.848 -6.843 -3.391 1.00 0.00 N ATOM 1110 CA GLU A 58 8.609 -5.612 -3.109 1.00 0.00 C ATOM 1111 C GLU A 58 7.697 -4.388 -2.929 1.00 0.00 C ATOM 1112 O GLU A 58 7.885 -3.620 -1.982 1.00 0.00 O ATOM 1113 CB GLU A 58 9.615 -5.306 -4.229 1.00 0.00 C ATOM 1114 CG GLU A 58 10.864 -6.194 -4.218 1.00 0.00 C ATOM 1115 CD GLU A 58 11.800 -5.889 -5.404 1.00 0.00 C ATOM 1116 OE1 GLU A 58 11.360 -5.294 -6.418 1.00 0.00 O ATOM 1117 OE2 GLU A 58 13.001 -6.249 -5.345 1.00 0.00 O ATOM 0 H GLU A 58 8.055 -7.252 -4.302 1.00 0.00 H new ATOM 0 HA GLU A 58 9.138 -5.799 -2.174 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.114 -5.416 -5.191 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.924 -4.264 -4.148 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.404 -6.048 -3.283 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.564 -7.241 -4.253 1.00 0.00 H new ATOM 1124 N VAL A 59 6.688 -4.222 -3.796 1.00 0.00 N ATOM 1125 CA VAL A 59 5.693 -3.143 -3.677 1.00 0.00 C ATOM 1126 C VAL A 59 4.924 -3.288 -2.363 1.00 0.00 C ATOM 1127 O VAL A 59 4.875 -2.324 -1.604 1.00 0.00 O ATOM 1128 CB VAL A 59 4.724 -3.096 -4.876 1.00 0.00 C ATOM 1129 CG1 VAL A 59 3.662 -2.009 -4.706 1.00 0.00 C ATOM 1130 CG2 VAL A 59 5.445 -2.783 -6.193 1.00 0.00 C ATOM 0 H VAL A 59 6.537 -4.831 -4.600 1.00 0.00 H new ATOM 0 HA VAL A 59 6.234 -2.197 -3.678 1.00 0.00 H new ATOM 0 HB VAL A 59 4.271 -4.087 -4.909 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.000 -2.009 -5.572 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.081 -2.205 -3.805 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.147 -1.037 -4.620 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.721 -2.761 -7.008 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.936 -1.813 -6.117 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.191 -3.553 -6.391 1.00 0.00 H new ATOM 1140 N LEU A 60 4.376 -4.472 -2.047 1.00 0.00 N ATOM 1141 CA LEU A 60 3.712 -4.726 -0.760 1.00 0.00 C ATOM 1142 C LEU A 60 4.631 -4.410 0.433 1.00 0.00 C ATOM 1143 O LEU A 60 4.192 -3.733 1.362 1.00 0.00 O ATOM 1144 CB LEU A 60 3.232 -6.188 -0.673 1.00 0.00 C ATOM 1145 CG LEU A 60 1.962 -6.521 -1.478 1.00 0.00 C ATOM 1146 CD1 LEU A 60 1.708 -8.028 -1.398 1.00 0.00 C ATOM 1147 CD2 LEU A 60 0.721 -5.810 -0.929 1.00 0.00 C ATOM 0 H LEU A 60 4.381 -5.277 -2.674 1.00 0.00 H new ATOM 0 HA LEU A 60 2.851 -4.060 -0.709 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.038 -6.837 -1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.051 -6.430 0.374 1.00 0.00 H new ATOM 0 HG LEU A 60 2.128 -6.187 -2.502 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.811 -8.276 -1.965 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.561 -8.563 -1.816 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.572 -8.319 -0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.148 -6.077 -1.531 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.554 -6.115 0.104 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.872 -4.731 -0.969 1.00 0.00 H new ATOM 1159 N PHE A 61 5.897 -4.836 0.407 1.00 0.00 N ATOM 1160 CA PHE A 61 6.890 -4.471 1.421 1.00 0.00 C ATOM 1161 C PHE A 61 7.074 -2.966 1.673 1.00 0.00 C ATOM 1162 O PHE A 61 6.856 -2.478 2.785 1.00 0.00 O ATOM 1163 CB PHE A 61 8.205 -5.243 1.214 1.00 0.00 C ATOM 1164 CG PHE A 61 9.405 -4.656 1.934 1.00 0.00 C ATOM 1165 CD1 PHE A 61 9.634 -4.964 3.289 1.00 0.00 C ATOM 1166 CD2 PHE A 61 10.280 -3.779 1.261 1.00 0.00 C ATOM 1167 CE1 PHE A 61 10.726 -4.393 3.969 1.00 0.00 C ATOM 1168 CE2 PHE A 61 11.369 -3.209 1.941 1.00 0.00 C ATOM 1169 CZ PHE A 61 11.593 -3.515 3.295 1.00 0.00 C ATOM 0 H PHE A 61 6.264 -5.447 -0.322 1.00 0.00 H new ATOM 0 HA PHE A 61 6.465 -4.798 2.370 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.064 -6.270 1.550 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.423 -5.283 0.147 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.970 -5.640 3.808 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.113 -3.545 0.220 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.898 -4.629 5.009 1.00 0.00 H new ATOM 0 HE2 PHE A 61 12.035 -2.535 1.423 1.00 0.00 H new ATOM 0 HZ PHE A 61 12.430 -3.076 3.817 1.00 0.00 H new ATOM 1179 N TYR A 62 7.410 -2.221 0.618 1.00 0.00 N ATOM 1180 CA TYR A 62 7.560 -0.766 0.669 1.00 0.00 C ATOM 1181 C TYR A 62 6.294 0.043 0.994 1.00 0.00 C ATOM 1182 O TYR A 62 6.342 0.987 1.782 1.00 0.00 O ATOM 1183 CB TYR A 62 8.259 -0.252 -0.591 1.00 0.00 C ATOM 1184 CG TYR A 62 9.762 -0.454 -0.691 1.00 0.00 C ATOM 1185 CD1 TYR A 62 10.625 0.166 0.235 1.00 0.00 C ATOM 1186 CD2 TYR A 62 10.302 -1.190 -1.765 1.00 0.00 C ATOM 1187 CE1 TYR A 62 12.022 0.069 0.080 1.00 0.00 C ATOM 1188 CE2 TYR A 62 11.698 -1.295 -1.921 1.00 0.00 C ATOM 1189 CZ TYR A 62 12.562 -0.658 -1.005 1.00 0.00 C ATOM 1190 OH TYR A 62 13.910 -0.743 -1.177 1.00 0.00 O ATOM 0 H TYR A 62 7.587 -2.616 -0.306 1.00 0.00 H new ATOM 0 HA TYR A 62 8.191 -0.589 1.540 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.797 -0.734 -1.453 1.00 0.00 H new ATOM 0 HB3 TYR A 62 8.057 0.816 -0.676 1.00 0.00 H new ATOM 0 HD1 TYR A 62 10.214 0.718 1.067 1.00 0.00 H new ATOM 0 HD2 TYR A 62 9.643 -1.675 -2.470 1.00 0.00 H new ATOM 0 HE1 TYR A 62 12.679 0.550 0.789 1.00 0.00 H new ATOM 0 HE2 TYR A 62 12.108 -1.864 -2.743 1.00 0.00 H new ATOM 0 HH TYR A 62 14.105 -1.282 -1.972 1.00 0.00 H new ATOM 1200 N LEU A 63 5.144 -0.353 0.437 1.00 0.00 N ATOM 1201 CA LEU A 63 3.832 0.231 0.720 1.00 0.00 C ATOM 1202 C LEU A 63 3.424 0.011 2.184 1.00 0.00 C ATOM 1203 O LEU A 63 2.975 0.944 2.848 1.00 0.00 O ATOM 1204 CB LEU A 63 2.822 -0.376 -0.271 1.00 0.00 C ATOM 1205 CG LEU A 63 1.352 0.022 -0.063 1.00 0.00 C ATOM 1206 CD1 LEU A 63 1.142 1.530 -0.140 1.00 0.00 C ATOM 1207 CD2 LEU A 63 0.501 -0.610 -1.161 1.00 0.00 C ATOM 0 H LEU A 63 5.101 -1.112 -0.243 1.00 0.00 H new ATOM 0 HA LEU A 63 3.861 1.312 0.586 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.116 -0.089 -1.281 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.895 -1.462 -0.214 1.00 0.00 H new ATOM 0 HG LEU A 63 1.066 -0.325 0.930 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.087 1.759 0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.736 2.020 0.632 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.453 1.891 -1.120 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.543 -0.331 -1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.841 -0.256 -2.134 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.596 -1.695 -1.116 1.00 0.00 H new ATOM 1219 N GLY A 64 3.663 -1.189 2.722 1.00 0.00 N ATOM 1220 CA GLY A 64 3.459 -1.490 4.138 1.00 0.00 C ATOM 1221 C GLY A 64 4.334 -0.631 5.048 1.00 0.00 C ATOM 1222 O GLY A 64 3.835 -0.042 6.005 1.00 0.00 O ATOM 0 H GLY A 64 4.006 -1.983 2.181 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.411 -1.333 4.393 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.676 -2.543 4.318 1.00 0.00 H new ATOM 1226 N GLN A 65 5.620 -0.468 4.722 1.00 0.00 N ATOM 1227 CA GLN A 65 6.540 0.418 5.406 1.00 0.00 C ATOM 1228 C GLN A 65 6.122 1.900 5.302 1.00 0.00 C ATOM 1229 O GLN A 65 6.326 2.646 6.263 1.00 0.00 O ATOM 1230 CB GLN A 65 7.906 0.072 4.797 1.00 0.00 C ATOM 1231 CG GLN A 65 8.987 1.136 4.836 1.00 0.00 C ATOM 1232 CD GLN A 65 9.638 1.316 6.208 1.00 0.00 C ATOM 1233 OE1 GLN A 65 10.708 0.792 6.491 1.00 0.00 O ATOM 1234 NE2 GLN A 65 8.955 1.903 7.167 1.00 0.00 N ATOM 0 H GLN A 65 6.054 -0.970 3.948 1.00 0.00 H new ATOM 0 HA GLN A 65 6.558 0.276 6.487 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.287 -0.812 5.309 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.748 -0.207 3.755 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.759 0.881 4.110 1.00 0.00 H new ATOM 0 HG3 GLN A 65 8.557 2.087 4.522 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.061 2.347 6.958 1.00 0.00 H new ATOM 0 HE22 GLN A 65 9.320 1.914 8.120 1.00 0.00 H new ATOM 1243 N TYR A 66 5.498 2.324 4.197 1.00 0.00 N ATOM 1244 CA TYR A 66 4.903 3.656 4.058 1.00 0.00 C ATOM 1245 C TYR A 66 3.711 3.895 4.987 1.00 0.00 C ATOM 1246 O TYR A 66 3.735 4.808 5.808 1.00 0.00 O ATOM 1247 CB TYR A 66 4.627 3.993 2.581 1.00 0.00 C ATOM 1248 CG TYR A 66 3.847 5.273 2.329 1.00 0.00 C ATOM 1249 CD1 TYR A 66 2.436 5.288 2.367 1.00 0.00 C ATOM 1250 CD2 TYR A 66 4.546 6.456 2.017 1.00 0.00 C ATOM 1251 CE1 TYR A 66 1.731 6.479 2.103 1.00 0.00 C ATOM 1252 CE2 TYR A 66 3.845 7.644 1.737 1.00 0.00 C ATOM 1253 CZ TYR A 66 2.435 7.657 1.775 1.00 0.00 C ATOM 1254 OH TYR A 66 1.772 8.813 1.511 1.00 0.00 O ATOM 0 H TYR A 66 5.391 1.744 3.365 1.00 0.00 H new ATOM 0 HA TYR A 66 5.646 4.374 4.404 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.582 4.063 2.059 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.080 3.163 2.135 1.00 0.00 H new ATOM 0 HD1 TYR A 66 1.895 4.383 2.599 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.626 6.451 1.993 1.00 0.00 H new ATOM 0 HE1 TYR A 66 0.652 6.490 2.152 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.387 8.546 1.493 1.00 0.00 H new ATOM 0 HH TYR A 66 0.894 8.793 1.946 1.00 0.00 H new ATOM 1264 N ILE A 67 2.711 3.011 4.932 1.00 0.00 N ATOM 1265 CA ILE A 67 1.505 3.063 5.775 1.00 0.00 C ATOM 1266 C ILE A 67 1.869 2.996 7.270 1.00 0.00 C ATOM 1267 O ILE A 67 1.300 3.732 8.081 1.00 0.00 O ATOM 1268 CB ILE A 67 0.543 1.918 5.372 1.00 0.00 C ATOM 1269 CG1 ILE A 67 0.065 2.047 3.905 1.00 0.00 C ATOM 1270 CG2 ILE A 67 -0.681 1.879 6.303 1.00 0.00 C ATOM 1271 CD1 ILE A 67 -0.438 0.726 3.306 1.00 0.00 C ATOM 0 H ILE A 67 2.714 2.221 4.287 1.00 0.00 H new ATOM 0 HA ILE A 67 0.999 4.015 5.614 1.00 0.00 H new ATOM 0 HB ILE A 67 1.106 0.989 5.468 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.734 2.787 3.855 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.886 2.424 3.295 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.342 1.067 6.001 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.352 1.716 7.329 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.217 2.826 6.239 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.757 0.891 2.277 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.365 -0.011 3.323 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.280 0.358 3.892 1.00 0.00 H new ATOM 1283 N MET A 68 2.862 2.168 7.616 1.00 0.00 N ATOM 1284 CA MET A 68 3.445 2.049 8.954 1.00 0.00 C ATOM 1285 C MET A 68 4.095 3.363 9.419 1.00 0.00 C ATOM 1286 O MET A 68 3.696 3.905 10.448 1.00 0.00 O ATOM 1287 CB MET A 68 4.461 0.891 8.946 1.00 0.00 C ATOM 1288 CG MET A 68 5.171 0.648 10.285 1.00 0.00 C ATOM 1289 SD MET A 68 6.885 0.068 10.133 1.00 0.00 S ATOM 1290 CE MET A 68 6.636 -1.530 9.310 1.00 0.00 C ATOM 0 H MET A 68 3.298 1.538 6.943 1.00 0.00 H new ATOM 0 HA MET A 68 2.651 1.835 9.670 1.00 0.00 H new ATOM 0 HB2 MET A 68 3.946 -0.024 8.653 1.00 0.00 H new ATOM 0 HB3 MET A 68 5.213 1.092 8.183 1.00 0.00 H new ATOM 0 HG2 MET A 68 5.164 1.574 10.859 1.00 0.00 H new ATOM 0 HG3 MET A 68 4.602 -0.085 10.856 1.00 0.00 H new ATOM 0 HE1 MET A 68 7.603 -1.994 9.115 1.00 0.00 H new ATOM 0 HE2 MET A 68 6.044 -2.182 9.952 1.00 0.00 H new ATOM 0 HE3 MET A 68 6.111 -1.376 8.367 1.00 0.00 H new ATOM 1300 N THR A 69 5.063 3.903 8.668 1.00 0.00 N ATOM 1301 CA THR A 69 5.786 5.133 9.051 1.00 0.00 C ATOM 1302 C THR A 69 4.941 6.412 9.075 1.00 0.00 C ATOM 1303 O THR A 69 5.088 7.260 9.959 1.00 0.00 O ATOM 1304 CB THR A 69 7.110 5.284 8.278 1.00 0.00 C ATOM 1305 OG1 THR A 69 8.012 6.060 9.036 1.00 0.00 O ATOM 1306 CG2 THR A 69 6.971 5.959 6.912 1.00 0.00 C ATOM 0 H THR A 69 5.370 3.505 7.780 1.00 0.00 H new ATOM 0 HA THR A 69 6.041 4.993 10.101 1.00 0.00 H new ATOM 0 HB THR A 69 7.464 4.267 8.111 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.855 6.155 8.545 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.950 6.024 6.437 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.301 5.373 6.283 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.563 6.961 7.041 1.00 0.00 H new ATOM 1314 N LYS A 70 3.980 6.510 8.147 1.00 0.00 N ATOM 1315 CA LYS A 70 2.958 7.569 8.073 1.00 0.00 C ATOM 1316 C LYS A 70 1.845 7.419 9.128 1.00 0.00 C ATOM 1317 O LYS A 70 1.084 8.364 9.341 1.00 0.00 O ATOM 1318 CB LYS A 70 2.357 7.562 6.657 1.00 0.00 C ATOM 1319 CG LYS A 70 3.352 7.913 5.531 1.00 0.00 C ATOM 1320 CD LYS A 70 3.404 9.400 5.155 1.00 0.00 C ATOM 1321 CE LYS A 70 2.057 9.844 4.572 1.00 0.00 C ATOM 1322 NZ LYS A 70 2.173 11.070 3.746 1.00 0.00 N ATOM 0 H LYS A 70 3.887 5.827 7.395 1.00 0.00 H new ATOM 0 HA LYS A 70 3.444 8.520 8.288 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.940 6.575 6.459 1.00 0.00 H new ATOM 0 HB3 LYS A 70 1.529 8.270 6.625 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.349 7.595 5.835 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.091 7.338 4.643 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.643 9.997 6.035 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.198 9.572 4.428 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.644 9.038 3.965 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.354 10.023 5.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.342 11.151 3.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.225 11.903 4.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.034 11.017 3.165 1.00 0.00 H new ATOM 1336 N ARG A 71 1.745 6.248 9.775 1.00 0.00 N ATOM 1337 CA ARG A 71 0.753 5.882 10.811 1.00 0.00 C ATOM 1338 C ARG A 71 -0.705 6.113 10.378 1.00 0.00 C ATOM 1339 O ARG A 71 -1.510 6.682 11.116 1.00 0.00 O ATOM 1340 CB ARG A 71 1.124 6.503 12.174 1.00 0.00 C ATOM 1341 CG ARG A 71 2.470 5.975 12.704 1.00 0.00 C ATOM 1342 CD ARG A 71 2.821 6.555 14.080 1.00 0.00 C ATOM 1343 NE ARG A 71 3.115 8.003 14.005 1.00 0.00 N ATOM 1344 CZ ARG A 71 2.848 8.924 14.914 1.00 0.00 C ATOM 1345 NH1 ARG A 71 2.282 8.640 16.053 1.00 0.00 N ATOM 1346 NH2 ARG A 71 3.153 10.171 14.692 1.00 0.00 N ATOM 0 H ARG A 71 2.390 5.482 9.581 1.00 0.00 H new ATOM 0 HA ARG A 71 0.803 4.801 10.943 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.174 7.587 12.076 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.339 6.284 12.898 1.00 0.00 H new ATOM 0 HG2 ARG A 71 2.431 4.888 12.770 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.260 6.223 11.995 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.992 6.387 14.768 1.00 0.00 H new ATOM 0 HD3 ARG A 71 3.685 6.029 14.487 1.00 0.00 H new ATOM 0 HE ARG A 71 3.576 8.327 13.155 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.028 7.676 16.270 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.093 9.381 16.728 1.00 0.00 H new ATOM 0 HH21 ARG A 71 3.599 10.439 13.815 1.00 0.00 H new ATOM 0 HH22 ARG A 71 2.946 10.880 15.396 1.00 0.00 H new ATOM 1360 N LEU A 72 -1.036 5.683 9.155 1.00 0.00 N ATOM 1361 CA LEU A 72 -2.360 5.874 8.532 1.00 0.00 C ATOM 1362 C LEU A 72 -3.439 4.897 9.041 1.00 0.00 C ATOM 1363 O LEU A 72 -4.605 5.003 8.657 1.00 0.00 O ATOM 1364 CB LEU A 72 -2.236 5.799 6.996 1.00 0.00 C ATOM 1365 CG LEU A 72 -1.188 6.738 6.375 1.00 0.00 C ATOM 1366 CD1 LEU A 72 -1.050 6.478 4.878 1.00 0.00 C ATOM 1367 CD2 LEU A 72 -1.542 8.207 6.583 1.00 0.00 C ATOM 0 H LEU A 72 -0.381 5.182 8.555 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.700 6.866 8.829 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.992 4.774 6.717 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.208 6.026 6.558 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.245 6.529 6.880 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.304 7.153 4.459 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.738 5.446 4.715 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.009 6.649 4.389 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.775 8.834 6.129 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.505 8.418 6.119 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.599 8.420 7.650 1.00 0.00 H new ATOM 1379 N TYR A 73 -3.069 3.933 9.885 1.00 0.00 N ATOM 1380 CA TYR A 73 -4.002 3.007 10.532 1.00 0.00 C ATOM 1381 C TYR A 73 -4.929 3.627 11.595 1.00 0.00 C ATOM 1382 O TYR A 73 -4.533 4.553 12.307 1.00 0.00 O ATOM 1383 CB TYR A 73 -3.297 1.738 11.030 1.00 0.00 C ATOM 1384 CG TYR A 73 -2.036 1.978 11.843 1.00 0.00 C ATOM 1385 CD1 TYR A 73 -0.783 2.128 11.212 1.00 0.00 C ATOM 1386 CD2 TYR A 73 -2.123 2.031 13.249 1.00 0.00 C ATOM 1387 CE1 TYR A 73 0.378 2.315 11.988 1.00 0.00 C ATOM 1388 CE2 TYR A 73 -0.966 2.224 14.026 1.00 0.00 C ATOM 1389 CZ TYR A 73 0.290 2.363 13.396 1.00 0.00 C ATOM 1390 OH TYR A 73 1.418 2.532 14.138 1.00 0.00 O ATOM 0 H TYR A 73 -2.096 3.770 10.143 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.689 2.719 9.736 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.999 1.166 11.637 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.043 1.120 10.169 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -0.714 2.099 10.135 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.083 1.923 13.732 1.00 0.00 H new ATOM 0 HE1 TYR A 73 1.338 2.422 11.504 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -1.038 2.266 15.103 1.00 0.00 H new ATOM 0 HH TYR A 73 1.185 2.544 15.090 1.00 0.00 H new ATOM 1400 N ASP A 74 -6.151 3.112 11.737 1.00 0.00 N ATOM 1401 CA ASP A 74 -7.071 3.477 12.820 1.00 0.00 C ATOM 1402 C ASP A 74 -6.574 3.089 14.230 1.00 0.00 C ATOM 1403 O ASP A 74 -6.115 1.966 14.450 1.00 0.00 O ATOM 1404 CB ASP A 74 -8.485 2.977 12.481 1.00 0.00 C ATOM 1405 CG ASP A 74 -9.517 3.035 13.610 1.00 0.00 C ATOM 1406 OD1 ASP A 74 -9.447 3.937 14.475 1.00 0.00 O ATOM 1407 OD2 ASP A 74 -10.422 2.171 13.615 1.00 0.00 O ATOM 0 H ASP A 74 -6.537 2.420 11.095 1.00 0.00 H new ATOM 0 HA ASP A 74 -7.110 4.565 12.880 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -8.863 3.563 11.643 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -8.410 1.944 12.140 1.00 0.00 H new ATOM 1412 N GLU A 75 -6.663 4.002 15.202 1.00 0.00 N ATOM 1413 CA GLU A 75 -6.289 3.742 16.600 1.00 0.00 C ATOM 1414 C GLU A 75 -7.213 2.722 17.298 1.00 0.00 C ATOM 1415 O GLU A 75 -6.778 2.035 18.227 1.00 0.00 O ATOM 1416 CB GLU A 75 -6.247 5.067 17.384 1.00 0.00 C ATOM 1417 CG GLU A 75 -7.605 5.782 17.523 1.00 0.00 C ATOM 1418 CD GLU A 75 -7.528 7.134 18.265 1.00 0.00 C ATOM 1419 OE1 GLU A 75 -6.443 7.543 18.747 1.00 0.00 O ATOM 1420 OE2 GLU A 75 -8.583 7.805 18.384 1.00 0.00 O ATOM 0 H GLU A 75 -6.999 4.951 15.042 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.297 3.290 16.587 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.853 4.870 18.381 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.546 5.742 16.892 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.021 5.948 16.529 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.297 5.127 18.053 1.00 0.00 H new ATOM 1427 N LYS A 76 -8.475 2.607 16.858 1.00 0.00 N ATOM 1428 CA LYS A 76 -9.467 1.652 17.382 1.00 0.00 C ATOM 1429 C LYS A 76 -9.325 0.274 16.724 1.00 0.00 C ATOM 1430 O LYS A 76 -9.143 -0.721 17.428 1.00 0.00 O ATOM 1431 CB LYS A 76 -10.893 2.208 17.211 1.00 0.00 C ATOM 1432 CG LYS A 76 -11.132 3.612 17.788 1.00 0.00 C ATOM 1433 CD LYS A 76 -10.896 3.708 19.302 1.00 0.00 C ATOM 1434 CE LYS A 76 -11.233 5.123 19.787 1.00 0.00 C ATOM 1435 NZ LYS A 76 -11.034 5.263 21.253 1.00 0.00 N ATOM 0 H LYS A 76 -8.845 3.191 16.108 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.277 1.520 18.447 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.131 2.226 16.148 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.592 1.517 17.682 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.475 4.319 17.282 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.156 3.915 17.569 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.514 2.977 19.824 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.858 3.471 19.534 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.607 5.846 19.264 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.268 5.357 19.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.272 6.233 21.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.650 4.590 21.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.041 5.064 21.489 1.00 0.00 H new ATOM 1449 N GLN A 77 -9.364 0.210 15.389 1.00 0.00 N ATOM 1450 CA GLN A 77 -9.097 -0.997 14.600 1.00 0.00 C ATOM 1451 C GLN A 77 -7.726 -0.923 13.909 1.00 0.00 C ATOM 1452 O GLN A 77 -7.595 -0.339 12.833 1.00 0.00 O ATOM 1453 CB GLN A 77 -10.214 -1.241 13.567 1.00 0.00 C ATOM 1454 CG GLN A 77 -11.531 -1.789 14.143 1.00 0.00 C ATOM 1455 CD GLN A 77 -12.443 -0.804 14.882 1.00 0.00 C ATOM 1456 OE1 GLN A 77 -13.279 -1.202 15.683 1.00 0.00 O ATOM 1457 NE2 GLN A 77 -12.435 0.480 14.597 1.00 0.00 N ATOM 0 H GLN A 77 -9.589 1.020 14.811 1.00 0.00 H new ATOM 0 HA GLN A 77 -9.079 -1.841 15.289 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -10.423 -0.303 13.054 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -9.846 -1.940 12.816 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -12.101 -2.225 13.323 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -11.287 -2.601 14.828 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -11.754 0.851 13.934 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -13.110 1.105 15.039 1.00 0.00 H new ATOM 1466 N GLN A 78 -6.712 -1.585 14.476 1.00 0.00 N ATOM 1467 CA GLN A 78 -5.338 -1.606 13.934 1.00 0.00 C ATOM 1468 C GLN A 78 -5.253 -2.200 12.512 1.00 0.00 C ATOM 1469 O GLN A 78 -4.302 -1.937 11.776 1.00 0.00 O ATOM 1470 CB GLN A 78 -4.431 -2.391 14.900 1.00 0.00 C ATOM 1471 CG GLN A 78 -4.760 -3.895 14.990 1.00 0.00 C ATOM 1472 CD GLN A 78 -4.128 -4.566 16.208 1.00 0.00 C ATOM 1473 OE1 GLN A 78 -4.737 -4.701 17.261 1.00 0.00 O ATOM 1474 NE2 GLN A 78 -2.847 -4.858 16.179 1.00 0.00 N ATOM 0 H GLN A 78 -6.817 -2.128 15.333 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.002 -0.573 13.849 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.394 -2.275 14.583 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.511 -1.952 15.895 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -5.842 -4.024 15.030 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.413 -4.393 14.085 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -2.319 -4.753 15.312 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -2.380 -5.190 17.023 1.00 0.00 H new ATOM 1483 N HIS A 79 -6.253 -3.001 12.133 1.00 0.00 N ATOM 1484 CA HIS A 79 -6.385 -3.647 10.831 1.00 0.00 C ATOM 1485 C HIS A 79 -7.096 -2.782 9.771 1.00 0.00 C ATOM 1486 O HIS A 79 -7.226 -3.227 8.634 1.00 0.00 O ATOM 1487 CB HIS A 79 -7.097 -4.989 11.046 1.00 0.00 C ATOM 1488 CG HIS A 79 -8.556 -4.885 11.420 1.00 0.00 C ATOM 1489 ND1 HIS A 79 -9.613 -4.725 10.551 1.00 0.00 N ATOM 1490 CD2 HIS A 79 -9.084 -5.001 12.678 1.00 0.00 C ATOM 1491 CE1 HIS A 79 -10.748 -4.725 11.269 1.00 0.00 C ATOM 1492 NE2 HIS A 79 -10.477 -4.886 12.578 1.00 0.00 N ATOM 0 H HIS A 79 -7.027 -3.225 12.758 1.00 0.00 H new ATOM 0 HA HIS A 79 -5.388 -3.801 10.419 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -7.013 -5.578 10.133 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -6.575 -5.539 11.829 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -8.524 -5.154 13.589 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -11.739 -4.612 10.855 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -11.151 -4.918 13.343 1.00 0.00 H new ATOM 1500 N ILE A 80 -7.570 -1.574 10.102 1.00 0.00 N ATOM 1501 CA ILE A 80 -8.165 -0.622 9.146 1.00 0.00 C ATOM 1502 C ILE A 80 -7.176 0.511 8.857 1.00 0.00 C ATOM 1503 O ILE A 80 -6.572 1.060 9.779 1.00 0.00 O ATOM 1504 CB ILE A 80 -9.541 -0.105 9.638 1.00 0.00 C ATOM 1505 CG1 ILE A 80 -10.522 -1.291 9.789 1.00 0.00 C ATOM 1506 CG2 ILE A 80 -10.118 0.952 8.674 1.00 0.00 C ATOM 1507 CD1 ILE A 80 -11.939 -0.920 10.247 1.00 0.00 C ATOM 0 H ILE A 80 -7.552 -1.221 11.059 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.360 -1.139 8.207 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.402 0.372 10.608 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.592 -1.807 8.831 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -10.102 -1.999 10.503 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.083 1.295 9.046 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.433 1.797 8.608 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.246 0.511 7.685 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -12.546 -1.823 10.321 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.891 -0.434 11.222 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -12.388 -0.239 9.524 1.00 0.00 H new ATOM 1519 N VAL A 81 -7.027 0.885 7.585 1.00 0.00 N ATOM 1520 CA VAL A 81 -6.186 2.002 7.121 1.00 0.00 C ATOM 1521 C VAL A 81 -7.052 3.098 6.502 1.00 0.00 C ATOM 1522 O VAL A 81 -7.959 2.816 5.718 1.00 0.00 O ATOM 1523 CB VAL A 81 -5.084 1.500 6.166 1.00 0.00 C ATOM 1524 CG1 VAL A 81 -5.603 0.707 4.972 1.00 0.00 C ATOM 1525 CG2 VAL A 81 -4.209 2.637 5.628 1.00 0.00 C ATOM 0 H VAL A 81 -7.502 0.406 6.820 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.676 2.444 7.977 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.494 0.833 6.794 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.764 0.392 4.352 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -6.143 -0.171 5.326 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.274 1.333 4.384 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.450 2.228 4.961 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.830 3.346 5.080 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.724 3.148 6.460 1.00 0.00 H new ATOM 1535 N TYR A 82 -6.758 4.351 6.858 1.00 0.00 N ATOM 1536 CA TYR A 82 -7.364 5.566 6.317 1.00 0.00 C ATOM 1537 C TYR A 82 -6.536 6.282 5.245 1.00 0.00 C ATOM 1538 O TYR A 82 -5.597 7.021 5.546 1.00 0.00 O ATOM 1539 CB TYR A 82 -7.900 6.480 7.427 1.00 0.00 C ATOM 1540 CG TYR A 82 -9.217 6.001 8.011 1.00 0.00 C ATOM 1541 CD1 TYR A 82 -9.230 4.948 8.946 1.00 0.00 C ATOM 1542 CD2 TYR A 82 -10.429 6.581 7.587 1.00 0.00 C ATOM 1543 CE1 TYR A 82 -10.453 4.464 9.449 1.00 0.00 C ATOM 1544 CE2 TYR A 82 -11.653 6.104 8.093 1.00 0.00 C ATOM 1545 CZ TYR A 82 -11.669 5.041 9.024 1.00 0.00 C ATOM 1546 OH TYR A 82 -12.858 4.581 9.501 1.00 0.00 O ATOM 0 H TYR A 82 -6.054 4.554 7.568 1.00 0.00 H new ATOM 0 HA TYR A 82 -8.234 5.233 5.751 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -7.159 6.546 8.224 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -8.031 7.486 7.029 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -8.300 4.511 9.278 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -10.419 7.392 6.874 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.461 3.651 10.160 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -12.581 6.551 7.769 1.00 0.00 H new ATOM 0 HH TYR A 82 -13.591 5.094 9.102 1.00 0.00 H new ATOM 1556 N CYS A 83 -6.867 6.023 3.982 1.00 0.00 N ATOM 1557 CA CYS A 83 -6.172 6.541 2.807 1.00 0.00 C ATOM 1558 C CYS A 83 -6.538 8.011 2.507 1.00 0.00 C ATOM 1559 O CYS A 83 -5.786 8.703 1.816 1.00 0.00 O ATOM 1560 CB CYS A 83 -6.551 5.648 1.615 1.00 0.00 C ATOM 1561 SG CYS A 83 -6.430 3.873 1.996 1.00 0.00 S ATOM 0 H CYS A 83 -7.656 5.424 3.740 1.00 0.00 H new ATOM 0 HA CYS A 83 -5.098 6.523 2.992 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -7.570 5.879 1.303 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -5.899 5.879 0.772 1.00 0.00 H new ATOM 0 HG CYS A 83 -6.765 3.180 0.948 1.00 0.00 H new ATOM 1567 N SER A 84 -7.686 8.490 3.000 1.00 0.00 N ATOM 1568 CA SER A 84 -8.185 9.857 2.795 1.00 0.00 C ATOM 1569 C SER A 84 -7.226 10.944 3.307 1.00 0.00 C ATOM 1570 O SER A 84 -6.462 10.744 4.256 1.00 0.00 O ATOM 1571 CB SER A 84 -9.575 10.021 3.429 1.00 0.00 C ATOM 1572 OG SER A 84 -9.543 9.794 4.830 1.00 0.00 O ATOM 0 H SER A 84 -8.313 7.921 3.569 1.00 0.00 H new ATOM 0 HA SER A 84 -8.257 9.999 1.717 1.00 0.00 H new ATOM 0 HB2 SER A 84 -9.949 11.026 3.232 1.00 0.00 H new ATOM 0 HB3 SER A 84 -10.272 9.324 2.963 1.00 0.00 H new ATOM 0 HG SER A 84 -10.443 9.908 5.201 1.00 0.00 H new ATOM 1578 N ASN A 85 -7.273 12.118 2.661 1.00 0.00 N ATOM 1579 CA ASN A 85 -6.410 13.284 2.921 1.00 0.00 C ATOM 1580 C ASN A 85 -4.889 13.028 2.753 1.00 0.00 C ATOM 1581 O ASN A 85 -4.068 13.817 3.224 1.00 0.00 O ATOM 1582 CB ASN A 85 -6.794 13.940 4.265 1.00 0.00 C ATOM 1583 CG ASN A 85 -8.254 14.359 4.318 1.00 0.00 C ATOM 1584 OD1 ASN A 85 -8.692 15.269 3.628 1.00 0.00 O ATOM 1585 ND2 ASN A 85 -9.053 13.732 5.154 1.00 0.00 N ATOM 0 H ASN A 85 -7.942 12.290 1.910 1.00 0.00 H new ATOM 0 HA ASN A 85 -6.608 14.004 2.127 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -6.591 13.241 5.077 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -6.163 14.813 4.431 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -10.033 14.005 5.225 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -8.692 12.972 5.731 1.00 0.00 H new ATOM 1592 N ASP A 86 -4.503 11.944 2.069 1.00 0.00 N ATOM 1593 CA ASP A 86 -3.114 11.577 1.762 1.00 0.00 C ATOM 1594 C ASP A 86 -2.951 11.075 0.309 1.00 0.00 C ATOM 1595 O ASP A 86 -3.932 10.720 -0.352 1.00 0.00 O ATOM 1596 CB ASP A 86 -2.626 10.526 2.780 1.00 0.00 C ATOM 1597 CG ASP A 86 -1.156 10.165 2.545 1.00 0.00 C ATOM 1598 OD1 ASP A 86 -0.317 11.094 2.572 1.00 0.00 O ATOM 1599 OD2 ASP A 86 -0.846 8.993 2.232 1.00 0.00 O ATOM 0 H ASP A 86 -5.175 11.272 1.700 1.00 0.00 H new ATOM 0 HA ASP A 86 -2.495 12.471 1.846 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -2.751 10.911 3.792 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -3.240 9.629 2.702 1.00 0.00 H new ATOM 1604 N LEU A 87 -1.704 10.991 -0.176 1.00 0.00 N ATOM 1605 CA LEU A 87 -1.325 10.333 -1.432 1.00 0.00 C ATOM 1606 C LEU A 87 -1.921 8.913 -1.550 1.00 0.00 C ATOM 1607 O LEU A 87 -2.365 8.533 -2.633 1.00 0.00 O ATOM 1608 CB LEU A 87 0.214 10.342 -1.512 1.00 0.00 C ATOM 1609 CG LEU A 87 0.857 9.494 -2.627 1.00 0.00 C ATOM 1610 CD1 LEU A 87 0.434 9.914 -4.034 1.00 0.00 C ATOM 1611 CD2 LEU A 87 2.375 9.646 -2.554 1.00 0.00 C ATOM 0 H LEU A 87 -0.905 11.394 0.313 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.739 10.876 -2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.542 11.374 -1.638 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.606 9.998 -0.555 1.00 0.00 H new ATOM 0 HG LEU A 87 0.525 8.469 -2.461 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.925 9.274 -4.768 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.647 9.817 -4.133 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.722 10.951 -4.206 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.839 9.049 -3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.643 10.694 -2.689 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.729 9.303 -1.582 1.00 0.00 H new ATOM 1623 N LEU A 88 -2.015 8.153 -0.448 1.00 0.00 N ATOM 1624 CA LEU A 88 -2.560 6.787 -0.442 1.00 0.00 C ATOM 1625 C LEU A 88 -3.981 6.675 -1.034 1.00 0.00 C ATOM 1626 O LEU A 88 -4.300 5.689 -1.702 1.00 0.00 O ATOM 1627 CB LEU A 88 -2.522 6.247 1.001 1.00 0.00 C ATOM 1628 CG LEU A 88 -2.746 4.727 1.077 1.00 0.00 C ATOM 1629 CD1 LEU A 88 -1.562 3.963 0.486 1.00 0.00 C ATOM 1630 CD2 LEU A 88 -2.905 4.240 2.512 1.00 0.00 C ATOM 0 H LEU A 88 -1.712 8.472 0.472 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.932 6.183 -1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.559 6.490 1.449 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.286 6.752 1.593 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.659 4.539 0.512 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.750 2.891 0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.434 4.243 -0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.657 4.209 1.041 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.061 3.161 2.515 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.005 4.478 3.079 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.763 4.732 2.970 1.00 0.00 H new ATOM 1642 N GLY A 89 -4.828 7.686 -0.828 1.00 0.00 N ATOM 1643 CA GLY A 89 -6.185 7.748 -1.385 1.00 0.00 C ATOM 1644 C GLY A 89 -6.216 7.841 -2.914 1.00 0.00 C ATOM 1645 O GLY A 89 -7.101 7.262 -3.546 1.00 0.00 O ATOM 0 H GLY A 89 -4.588 8.499 -0.260 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.738 6.863 -1.072 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.702 8.611 -0.966 1.00 0.00 H new ATOM 1649 N ASP A 90 -5.220 8.493 -3.522 1.00 0.00 N ATOM 1650 CA ASP A 90 -5.049 8.536 -4.980 1.00 0.00 C ATOM 1651 C ASP A 90 -4.552 7.222 -5.611 1.00 0.00 C ATOM 1652 O ASP A 90 -4.855 6.935 -6.773 1.00 0.00 O ATOM 1653 CB ASP A 90 -4.204 9.750 -5.406 1.00 0.00 C ATOM 1654 CG ASP A 90 -4.906 11.116 -5.266 1.00 0.00 C ATOM 1655 OD1 ASP A 90 -6.147 11.184 -5.084 1.00 0.00 O ATOM 1656 OD2 ASP A 90 -4.205 12.151 -5.376 1.00 0.00 O ATOM 0 H ASP A 90 -4.503 9.010 -3.013 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.052 8.661 -5.387 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.291 9.765 -4.810 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.904 9.618 -6.446 1.00 0.00 H new ATOM 1661 N LEU A 91 -3.835 6.397 -4.836 1.00 0.00 N ATOM 1662 CA LEU A 91 -3.489 5.024 -5.209 1.00 0.00 C ATOM 1663 C LEU A 91 -4.712 4.100 -5.131 1.00 0.00 C ATOM 1664 O LEU A 91 -5.104 3.511 -6.142 1.00 0.00 O ATOM 1665 CB LEU A 91 -2.355 4.483 -4.309 1.00 0.00 C ATOM 1666 CG LEU A 91 -0.926 4.959 -4.606 1.00 0.00 C ATOM 1667 CD1 LEU A 91 -0.584 4.848 -6.085 1.00 0.00 C ATOM 1668 CD2 LEU A 91 -0.626 6.385 -4.161 1.00 0.00 C ATOM 0 H LEU A 91 -3.476 6.671 -3.921 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.141 5.041 -6.242 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.590 4.746 -3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.367 3.395 -4.371 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.306 4.286 -4.014 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.436 5.195 -6.250 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.669 3.808 -6.401 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.274 5.461 -6.665 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.405 6.635 -4.411 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.300 7.074 -4.670 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.768 6.467 -3.083 1.00 0.00 H new ATOM 1680 N PHE A 92 -5.314 3.966 -3.945 1.00 0.00 N ATOM 1681 CA PHE A 92 -6.405 3.018 -3.696 1.00 0.00 C ATOM 1682 C PHE A 92 -7.802 3.345 -4.247 1.00 0.00 C ATOM 1683 O PHE A 92 -8.607 2.440 -4.466 1.00 0.00 O ATOM 1684 CB PHE A 92 -6.411 2.553 -2.233 1.00 0.00 C ATOM 1685 CG PHE A 92 -5.366 1.503 -1.905 1.00 0.00 C ATOM 1686 CD1 PHE A 92 -5.527 0.188 -2.378 1.00 0.00 C ATOM 1687 CD2 PHE A 92 -4.251 1.823 -1.110 1.00 0.00 C ATOM 1688 CE1 PHE A 92 -4.577 -0.802 -2.067 1.00 0.00 C ATOM 1689 CE2 PHE A 92 -3.324 0.825 -0.759 1.00 0.00 C ATOM 1690 CZ PHE A 92 -3.482 -0.484 -1.247 1.00 0.00 C ATOM 0 H PHE A 92 -5.056 4.516 -3.125 1.00 0.00 H new ATOM 0 HA PHE A 92 -6.149 2.176 -4.339 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -6.254 3.418 -1.589 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.397 2.154 -1.995 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.385 -0.063 -2.984 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.106 2.837 -0.768 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.689 -1.803 -2.457 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.491 1.064 -0.115 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.761 -1.246 -0.991 1.00 0.00 H new ATOM 1700 N GLY A 93 -8.102 4.626 -4.484 1.00 0.00 N ATOM 1701 CA GLY A 93 -9.407 5.079 -4.987 1.00 0.00 C ATOM 1702 C GLY A 93 -10.562 4.972 -3.974 1.00 0.00 C ATOM 1703 O GLY A 93 -11.729 5.037 -4.366 1.00 0.00 O ATOM 0 H GLY A 93 -7.440 5.387 -4.331 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.317 6.117 -5.306 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.663 4.495 -5.871 1.00 0.00 H new ATOM 1707 N VAL A 94 -10.250 4.806 -2.683 1.00 0.00 N ATOM 1708 CA VAL A 94 -11.205 4.702 -1.558 1.00 0.00 C ATOM 1709 C VAL A 94 -10.679 5.533 -0.376 1.00 0.00 C ATOM 1710 O VAL A 94 -9.465 5.717 -0.248 1.00 0.00 O ATOM 1711 CB VAL A 94 -11.399 3.239 -1.089 1.00 0.00 C ATOM 1712 CG1 VAL A 94 -12.298 2.467 -2.055 1.00 0.00 C ATOM 1713 CG2 VAL A 94 -10.097 2.452 -0.888 1.00 0.00 C ATOM 0 H VAL A 94 -9.281 4.737 -2.373 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.168 5.075 -1.906 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.869 3.328 -0.110 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.417 1.443 -1.701 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -13.274 2.949 -2.107 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.844 2.458 -3.046 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -10.331 1.439 -0.560 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.548 2.411 -1.829 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.486 2.946 -0.133 1.00 0.00 H new ATOM 1723 N PRO A 95 -11.562 6.024 0.518 1.00 0.00 N ATOM 1724 CA PRO A 95 -11.162 6.759 1.721 1.00 0.00 C ATOM 1725 C PRO A 95 -10.488 5.871 2.782 1.00 0.00 C ATOM 1726 O PRO A 95 -9.668 6.362 3.557 1.00 0.00 O ATOM 1727 CB PRO A 95 -12.462 7.370 2.259 1.00 0.00 C ATOM 1728 CG PRO A 95 -13.538 6.389 1.792 1.00 0.00 C ATOM 1729 CD PRO A 95 -13.017 5.948 0.429 1.00 0.00 C ATOM 0 HA PRO A 95 -10.409 7.509 1.479 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.444 7.459 3.345 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.630 8.370 1.860 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.644 5.548 2.477 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -14.516 6.865 1.718 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.342 4.934 0.195 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.395 6.595 -0.363 1.00 0.00 H new ATOM 1737 N SER A 96 -10.816 4.577 2.828 1.00 0.00 N ATOM 1738 CA SER A 96 -10.293 3.603 3.797 1.00 0.00 C ATOM 1739 C SER A 96 -10.591 2.155 3.382 1.00 0.00 C ATOM 1740 O SER A 96 -11.473 1.916 2.550 1.00 0.00 O ATOM 1741 CB SER A 96 -10.902 3.861 5.188 1.00 0.00 C ATOM 1742 OG SER A 96 -12.317 3.735 5.170 1.00 0.00 O ATOM 0 H SER A 96 -11.476 4.162 2.170 1.00 0.00 H new ATOM 0 HA SER A 96 -9.211 3.732 3.827 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.482 3.156 5.906 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.629 4.861 5.526 1.00 0.00 H new ATOM 0 HG SER A 96 -12.672 3.903 6.068 1.00 0.00 H new ATOM 1748 N PHE A 97 -9.882 1.180 3.968 1.00 0.00 N ATOM 1749 CA PHE A 97 -10.217 -0.249 3.842 1.00 0.00 C ATOM 1750 C PHE A 97 -9.693 -1.071 5.034 1.00 0.00 C ATOM 1751 O PHE A 97 -8.764 -0.654 5.732 1.00 0.00 O ATOM 1752 CB PHE A 97 -9.690 -0.829 2.512 1.00 0.00 C ATOM 1753 CG PHE A 97 -8.182 -0.821 2.343 1.00 0.00 C ATOM 1754 CD1 PHE A 97 -7.430 -1.912 2.816 1.00 0.00 C ATOM 1755 CD2 PHE A 97 -7.526 0.252 1.711 1.00 0.00 C ATOM 1756 CE1 PHE A 97 -6.034 -1.927 2.682 1.00 0.00 C ATOM 1757 CE2 PHE A 97 -6.127 0.229 1.564 1.00 0.00 C ATOM 1758 CZ PHE A 97 -5.381 -0.860 2.048 1.00 0.00 C ATOM 0 H PHE A 97 -9.059 1.358 4.544 1.00 0.00 H new ATOM 0 HA PHE A 97 -11.305 -0.321 3.844 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -10.042 -1.856 2.420 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -10.132 -0.266 1.690 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -7.932 -2.745 3.286 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -8.095 1.091 1.340 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.463 -2.759 3.066 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -5.624 1.051 1.077 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.307 -0.875 1.932 1.00 0.00 H new ATOM 1768 N SER A 98 -10.274 -2.254 5.261 1.00 0.00 N ATOM 1769 CA SER A 98 -9.742 -3.254 6.202 1.00 0.00 C ATOM 1770 C SER A 98 -8.722 -4.155 5.503 1.00 0.00 C ATOM 1771 O SER A 98 -9.018 -4.765 4.476 1.00 0.00 O ATOM 1772 CB SER A 98 -10.867 -4.091 6.811 1.00 0.00 C ATOM 1773 OG SER A 98 -10.321 -5.053 7.700 1.00 0.00 O ATOM 0 H SER A 98 -11.132 -2.549 4.796 1.00 0.00 H new ATOM 0 HA SER A 98 -9.242 -2.723 7.012 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.566 -3.446 7.343 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.430 -4.589 6.022 1.00 0.00 H new ATOM 0 HG SER A 98 -10.178 -4.643 8.578 1.00 0.00 H new ATOM 1779 N VAL A 99 -7.514 -4.262 6.057 1.00 0.00 N ATOM 1780 CA VAL A 99 -6.363 -4.991 5.491 1.00 0.00 C ATOM 1781 C VAL A 99 -6.633 -6.500 5.358 1.00 0.00 C ATOM 1782 O VAL A 99 -6.033 -7.151 4.503 1.00 0.00 O ATOM 1783 CB VAL A 99 -5.116 -4.706 6.347 1.00 0.00 C ATOM 1784 CG1 VAL A 99 -3.866 -5.480 5.923 1.00 0.00 C ATOM 1785 CG2 VAL A 99 -4.753 -3.213 6.329 1.00 0.00 C ATOM 0 H VAL A 99 -7.294 -3.826 6.953 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.190 -4.633 4.476 1.00 0.00 H new ATOM 0 HB VAL A 99 -5.403 -5.037 7.345 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.036 -5.219 6.579 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.060 -6.550 5.992 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -3.610 -5.223 4.895 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.868 -3.046 6.943 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.548 -2.901 5.305 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.585 -2.631 6.726 1.00 0.00 H new ATOM 1795 N LYS A 100 -7.576 -7.060 6.135 1.00 0.00 N ATOM 1796 CA LYS A 100 -8.061 -8.448 5.985 1.00 0.00 C ATOM 1797 C LYS A 100 -8.891 -8.716 4.721 1.00 0.00 C ATOM 1798 O LYS A 100 -9.097 -9.877 4.369 1.00 0.00 O ATOM 1799 CB LYS A 100 -8.833 -8.890 7.245 1.00 0.00 C ATOM 1800 CG LYS A 100 -7.947 -9.259 8.447 1.00 0.00 C ATOM 1801 CD LYS A 100 -6.990 -10.433 8.149 1.00 0.00 C ATOM 1802 CE LYS A 100 -6.367 -11.071 9.400 1.00 0.00 C ATOM 1803 NZ LYS A 100 -7.362 -11.819 10.218 1.00 0.00 N ATOM 0 H LYS A 100 -8.031 -6.556 6.896 1.00 0.00 H new ATOM 0 HA LYS A 100 -7.161 -9.051 5.865 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -9.507 -8.087 7.541 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.453 -9.750 6.991 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.364 -8.387 8.743 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.582 -9.520 9.294 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.534 -11.199 7.597 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.190 -10.079 7.499 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.568 -11.748 9.098 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.911 -10.292 10.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -6.874 -12.313 10.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.056 -11.154 10.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.852 -12.514 9.619 1.00 0.00 H new ATOM 1817 N GLU A 101 -9.336 -7.684 4.003 1.00 0.00 N ATOM 1818 CA GLU A 101 -10.030 -7.799 2.708 1.00 0.00 C ATOM 1819 C GLU A 101 -9.042 -8.095 1.558 1.00 0.00 C ATOM 1820 O GLU A 101 -9.036 -7.422 0.525 1.00 0.00 O ATOM 1821 CB GLU A 101 -10.903 -6.555 2.444 1.00 0.00 C ATOM 1822 CG GLU A 101 -11.974 -6.360 3.533 1.00 0.00 C ATOM 1823 CD GLU A 101 -12.869 -5.122 3.325 1.00 0.00 C ATOM 1824 OE1 GLU A 101 -12.651 -4.323 2.382 1.00 0.00 O ATOM 1825 OE2 GLU A 101 -13.829 -4.944 4.113 1.00 0.00 O ATOM 0 H GLU A 101 -9.224 -6.718 4.309 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.703 -8.655 2.754 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -10.268 -5.670 2.397 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -11.387 -6.652 1.472 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -12.605 -7.248 3.570 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -11.481 -6.279 4.502 1.00 0.00 H new ATOM 1832 N HIS A 102 -8.174 -9.099 1.741 1.00 0.00 N ATOM 1833 CA HIS A 102 -7.031 -9.384 0.868 1.00 0.00 C ATOM 1834 C HIS A 102 -7.433 -9.521 -0.610 1.00 0.00 C ATOM 1835 O HIS A 102 -6.804 -8.916 -1.473 1.00 0.00 O ATOM 1836 CB HIS A 102 -6.301 -10.650 1.349 1.00 0.00 C ATOM 1837 CG HIS A 102 -5.911 -10.692 2.812 1.00 0.00 C ATOM 1838 ND1 HIS A 102 -5.219 -9.730 3.514 1.00 0.00 N ATOM 1839 CD2 HIS A 102 -5.957 -11.802 3.616 1.00 0.00 C ATOM 1840 CE1 HIS A 102 -4.874 -10.237 4.707 1.00 0.00 C ATOM 1841 NE2 HIS A 102 -5.312 -11.501 4.824 1.00 0.00 N ATOM 0 H HIS A 102 -8.251 -9.752 2.521 1.00 0.00 H new ATOM 0 HA HIS A 102 -6.357 -8.530 0.931 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -6.937 -11.510 1.141 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -5.397 -10.770 0.752 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -6.413 -12.748 3.362 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -4.322 -9.704 5.467 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -5.198 -12.117 5.629 1.00 0.00 H new ATOM 1849 N ARG A 103 -8.535 -10.229 -0.906 1.00 0.00 N ATOM 1850 CA ARG A 103 -9.068 -10.416 -2.273 1.00 0.00 C ATOM 1851 C ARG A 103 -9.420 -9.101 -2.987 1.00 0.00 C ATOM 1852 O ARG A 103 -9.206 -8.990 -4.195 1.00 0.00 O ATOM 1853 CB ARG A 103 -10.261 -11.393 -2.238 1.00 0.00 C ATOM 1854 CG ARG A 103 -11.474 -10.912 -1.419 1.00 0.00 C ATOM 1855 CD ARG A 103 -12.570 -11.985 -1.385 1.00 0.00 C ATOM 1856 NE ARG A 103 -13.733 -11.537 -0.592 1.00 0.00 N ATOM 1857 CZ ARG A 103 -13.982 -11.783 0.683 1.00 0.00 C ATOM 1858 NH1 ARG A 103 -13.155 -12.446 1.443 1.00 0.00 N ATOM 1859 NH2 ARG A 103 -15.083 -11.355 1.232 1.00 0.00 N ATOM 0 H ARG A 103 -9.093 -10.697 -0.192 1.00 0.00 H new ATOM 0 HA ARG A 103 -8.269 -10.850 -2.874 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -10.585 -11.583 -3.261 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -9.920 -12.344 -1.829 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -11.161 -10.674 -0.403 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -11.871 -9.994 -1.853 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -12.887 -12.216 -2.402 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -12.169 -12.905 -0.959 1.00 0.00 H new ATOM 0 HE ARG A 103 -14.424 -10.972 -1.085 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -12.278 -12.796 1.058 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -13.385 -12.614 2.422 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -15.758 -10.828 0.678 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -15.271 -11.547 2.216 1.00 0.00 H new ATOM 1873 N LYS A 104 -9.903 -8.092 -2.249 1.00 0.00 N ATOM 1874 CA LYS A 104 -10.158 -6.733 -2.762 1.00 0.00 C ATOM 1875 C LYS A 104 -8.848 -5.964 -2.934 1.00 0.00 C ATOM 1876 O LYS A 104 -8.612 -5.370 -3.985 1.00 0.00 O ATOM 1877 CB LYS A 104 -11.133 -6.007 -1.816 1.00 0.00 C ATOM 1878 CG LYS A 104 -11.574 -4.632 -2.351 1.00 0.00 C ATOM 1879 CD LYS A 104 -12.314 -3.802 -1.292 1.00 0.00 C ATOM 1880 CE LYS A 104 -13.666 -4.416 -0.908 1.00 0.00 C ATOM 1881 NZ LYS A 104 -14.275 -3.694 0.237 1.00 0.00 N ATOM 0 H LYS A 104 -10.133 -8.196 -1.261 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.619 -6.794 -3.748 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -12.014 -6.631 -1.661 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -10.659 -5.878 -0.843 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -10.698 -4.081 -2.694 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -12.222 -4.772 -3.216 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -11.691 -3.716 -0.402 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -12.471 -2.792 -1.670 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -14.340 -4.382 -1.764 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -13.532 -5.466 -0.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -15.146 -4.180 0.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -13.604 -3.675 1.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -14.502 -2.720 -0.048 1.00 0.00 H new ATOM 1895 N ILE A 105 -7.965 -6.018 -1.935 1.00 0.00 N ATOM 1896 CA ILE A 105 -6.663 -5.335 -1.971 1.00 0.00 C ATOM 1897 C ILE A 105 -5.822 -5.827 -3.154 1.00 0.00 C ATOM 1898 O ILE A 105 -5.281 -5.004 -3.884 1.00 0.00 O ATOM 1899 CB ILE A 105 -5.922 -5.461 -0.620 1.00 0.00 C ATOM 1900 CG1 ILE A 105 -6.732 -4.772 0.504 1.00 0.00 C ATOM 1901 CG2 ILE A 105 -4.513 -4.840 -0.690 1.00 0.00 C ATOM 1902 CD1 ILE A 105 -6.353 -5.253 1.907 1.00 0.00 C ATOM 0 H ILE A 105 -8.130 -6.538 -1.073 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.838 -4.270 -2.126 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.821 -6.524 -0.400 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.580 -3.694 0.444 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.794 -4.953 0.340 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -4.020 -4.946 0.276 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.927 -5.352 -1.454 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.594 -3.783 -0.942 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.959 -4.730 2.647 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.532 -6.325 1.985 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.298 -5.047 2.090 1.00 0.00 H new ATOM 1914 N TYR A 106 -5.784 -7.134 -3.430 1.00 0.00 N ATOM 1915 CA TYR A 106 -5.053 -7.687 -4.573 1.00 0.00 C ATOM 1916 C TYR A 106 -5.478 -7.126 -5.940 1.00 0.00 C ATOM 1917 O TYR A 106 -4.626 -6.726 -6.733 1.00 0.00 O ATOM 1918 CB TYR A 106 -5.085 -9.225 -4.562 1.00 0.00 C ATOM 1919 CG TYR A 106 -4.383 -9.916 -3.399 1.00 0.00 C ATOM 1920 CD1 TYR A 106 -3.117 -9.494 -2.935 1.00 0.00 C ATOM 1921 CD2 TYR A 106 -5.013 -11.019 -2.786 1.00 0.00 C ATOM 1922 CE1 TYR A 106 -2.502 -10.150 -1.850 1.00 0.00 C ATOM 1923 CE2 TYR A 106 -4.392 -11.693 -1.721 1.00 0.00 C ATOM 1924 CZ TYR A 106 -3.138 -11.258 -1.248 1.00 0.00 C ATOM 1925 OH TYR A 106 -2.557 -11.916 -0.213 1.00 0.00 O ATOM 0 H TYR A 106 -6.260 -7.839 -2.866 1.00 0.00 H new ATOM 0 HA TYR A 106 -4.023 -7.354 -4.441 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -6.127 -9.544 -4.568 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -4.637 -9.581 -5.490 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -2.618 -8.665 -3.414 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -5.980 -11.348 -3.138 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -1.547 -9.807 -1.480 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -4.876 -12.544 -1.265 1.00 0.00 H new ATOM 0 HH TYR A 106 -1.675 -11.529 -0.033 1.00 0.00 H new ATOM 1935 N THR A 107 -6.786 -7.010 -6.203 1.00 0.00 N ATOM 1936 CA THR A 107 -7.283 -6.350 -7.425 1.00 0.00 C ATOM 1937 C THR A 107 -7.025 -4.841 -7.505 1.00 0.00 C ATOM 1938 O THR A 107 -6.679 -4.318 -8.568 1.00 0.00 O ATOM 1939 CB THR A 107 -8.711 -6.784 -7.802 1.00 0.00 C ATOM 1940 OG1 THR A 107 -8.871 -6.696 -9.202 1.00 0.00 O ATOM 1941 CG2 THR A 107 -9.826 -5.948 -7.175 1.00 0.00 C ATOM 0 H THR A 107 -7.521 -7.363 -5.590 1.00 0.00 H new ATOM 0 HA THR A 107 -6.648 -6.733 -8.224 1.00 0.00 H new ATOM 0 HB THR A 107 -8.808 -7.800 -7.419 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.779 -6.973 -9.446 1.00 0.00 H new ATOM 0 HG21 THR A 107 -10.794 -6.330 -7.500 1.00 0.00 H new ATOM 0 HG22 THR A 107 -9.758 -6.007 -6.089 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.722 -4.909 -7.489 1.00 0.00 H new ATOM 1949 N MET A 108 -7.074 -4.135 -6.367 1.00 0.00 N ATOM 1950 CA MET A 108 -6.651 -2.728 -6.289 1.00 0.00 C ATOM 1951 C MET A 108 -5.142 -2.555 -6.539 1.00 0.00 C ATOM 1952 O MET A 108 -4.745 -1.646 -7.267 1.00 0.00 O ATOM 1953 CB MET A 108 -7.055 -2.097 -4.948 1.00 0.00 C ATOM 1954 CG MET A 108 -8.578 -2.018 -4.764 1.00 0.00 C ATOM 1955 SD MET A 108 -9.155 -1.024 -3.352 1.00 0.00 S ATOM 1956 CE MET A 108 -8.495 -1.950 -1.938 1.00 0.00 C ATOM 0 H MET A 108 -7.405 -4.518 -5.481 1.00 0.00 H new ATOM 0 HA MET A 108 -7.173 -2.202 -7.088 1.00 0.00 H new ATOM 0 HB2 MET A 108 -6.625 -2.679 -4.133 1.00 0.00 H new ATOM 0 HB3 MET A 108 -6.633 -1.094 -4.881 1.00 0.00 H new ATOM 0 HG2 MET A 108 -9.014 -1.608 -5.675 1.00 0.00 H new ATOM 0 HG3 MET A 108 -8.965 -3.031 -4.653 1.00 0.00 H new ATOM 0 HE1 MET A 108 -8.806 -1.469 -1.011 1.00 0.00 H new ATOM 0 HE2 MET A 108 -8.875 -2.971 -1.962 1.00 0.00 H new ATOM 0 HE3 MET A 108 -7.406 -1.967 -1.990 1.00 0.00 H new ATOM 1966 N MET A 109 -4.298 -3.451 -6.015 1.00 0.00 N ATOM 1967 CA MET A 109 -2.849 -3.464 -6.266 1.00 0.00 C ATOM 1968 C MET A 109 -2.526 -3.763 -7.734 1.00 0.00 C ATOM 1969 O MET A 109 -1.671 -3.104 -8.322 1.00 0.00 O ATOM 1970 CB MET A 109 -2.145 -4.485 -5.354 1.00 0.00 C ATOM 1971 CG MET A 109 -2.118 -4.079 -3.874 1.00 0.00 C ATOM 1972 SD MET A 109 -1.334 -2.490 -3.496 1.00 0.00 S ATOM 1973 CE MET A 109 0.390 -2.844 -3.920 1.00 0.00 C ATOM 0 H MET A 109 -4.606 -4.200 -5.395 1.00 0.00 H new ATOM 0 HA MET A 109 -2.476 -2.466 -6.037 1.00 0.00 H new ATOM 0 HB2 MET A 109 -2.647 -5.448 -5.448 1.00 0.00 H new ATOM 0 HB3 MET A 109 -1.121 -4.624 -5.702 1.00 0.00 H new ATOM 0 HG2 MET A 109 -3.144 -4.051 -3.507 1.00 0.00 H new ATOM 0 HG3 MET A 109 -1.601 -4.858 -3.314 1.00 0.00 H new ATOM 0 HE1 MET A 109 1.012 -2.743 -3.030 1.00 0.00 H new ATOM 0 HE2 MET A 109 0.469 -3.861 -4.304 1.00 0.00 H new ATOM 0 HE3 MET A 109 0.729 -2.141 -4.681 1.00 0.00 H new ATOM 1983 N ALA A 110 -3.246 -4.702 -8.356 1.00 0.00 N ATOM 1984 CA ALA A 110 -3.119 -5.008 -9.780 1.00 0.00 C ATOM 1985 C ALA A 110 -3.492 -3.810 -10.678 1.00 0.00 C ATOM 1986 O ALA A 110 -2.833 -3.563 -11.689 1.00 0.00 O ATOM 1987 CB ALA A 110 -3.987 -6.233 -10.078 1.00 0.00 C ATOM 0 H ALA A 110 -3.940 -5.276 -7.878 1.00 0.00 H new ATOM 0 HA ALA A 110 -2.076 -5.224 -10.010 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -3.911 -6.484 -11.136 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.644 -7.077 -9.479 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.025 -6.012 -9.831 1.00 0.00 H new ATOM 1993 N SER A 111 -4.493 -3.007 -10.291 1.00 0.00 N ATOM 1994 CA SER A 111 -4.878 -1.782 -11.013 1.00 0.00 C ATOM 1995 C SER A 111 -3.738 -0.747 -11.075 1.00 0.00 C ATOM 1996 O SER A 111 -3.540 -0.100 -12.108 1.00 0.00 O ATOM 1997 CB SER A 111 -6.132 -1.181 -10.366 1.00 0.00 C ATOM 1998 OG SER A 111 -6.590 -0.055 -11.097 1.00 0.00 O ATOM 0 H SER A 111 -5.062 -3.188 -9.464 1.00 0.00 H new ATOM 0 HA SER A 111 -5.095 -2.057 -12.045 1.00 0.00 H new ATOM 0 HB2 SER A 111 -6.919 -1.934 -10.320 1.00 0.00 H new ATOM 0 HB3 SER A 111 -5.911 -0.888 -9.340 1.00 0.00 H new ATOM 0 HG SER A 111 -7.391 0.311 -10.667 1.00 0.00 H new ATOM 2004 N MET A 112 -2.911 -0.650 -10.024 1.00 0.00 N ATOM 2005 CA MET A 112 -1.739 0.246 -9.966 1.00 0.00 C ATOM 2006 C MET A 112 -0.583 -0.151 -10.906 1.00 0.00 C ATOM 2007 O MET A 112 0.361 0.625 -11.072 1.00 0.00 O ATOM 2008 CB MET A 112 -1.210 0.357 -8.526 1.00 0.00 C ATOM 2009 CG MET A 112 -2.258 0.836 -7.517 1.00 0.00 C ATOM 2010 SD MET A 112 -1.641 0.901 -5.815 1.00 0.00 S ATOM 2011 CE MET A 112 -3.193 0.645 -4.920 1.00 0.00 C ATOM 0 H MET A 112 -3.037 -1.200 -9.174 1.00 0.00 H new ATOM 0 HA MET A 112 -2.104 1.211 -10.316 1.00 0.00 H new ATOM 0 HB2 MET A 112 -0.834 -0.617 -8.211 1.00 0.00 H new ATOM 0 HB3 MET A 112 -0.365 1.045 -8.512 1.00 0.00 H new ATOM 0 HG2 MET A 112 -2.605 1.827 -7.808 1.00 0.00 H new ATOM 0 HG3 MET A 112 -3.121 0.171 -7.558 1.00 0.00 H new ATOM 0 HE1 MET A 112 -3.058 0.916 -3.873 1.00 0.00 H new ATOM 0 HE2 MET A 112 -3.973 1.267 -5.359 1.00 0.00 H new ATOM 0 HE3 MET A 112 -3.484 -0.403 -4.989 1.00 0.00 H new ATOM 2021 N THR A 113 -0.645 -1.335 -11.521 1.00 0.00 N ATOM 2022 CA THR A 113 0.373 -1.882 -12.439 1.00 0.00 C ATOM 2023 C THR A 113 -0.120 -2.219 -13.850 1.00 0.00 C ATOM 2024 O THR A 113 0.622 -2.046 -14.819 1.00 0.00 O ATOM 2025 CB THR A 113 1.202 -3.013 -11.801 1.00 0.00 C ATOM 2026 OG1 THR A 113 0.571 -4.256 -12.011 1.00 0.00 O ATOM 2027 CG2 THR A 113 1.427 -2.855 -10.293 1.00 0.00 C ATOM 0 H THR A 113 -1.434 -1.968 -11.392 1.00 0.00 H new ATOM 0 HA THR A 113 1.052 -1.045 -12.604 1.00 0.00 H new ATOM 0 HB THR A 113 2.175 -2.961 -12.289 1.00 0.00 H new ATOM 0 HG1 THR A 113 1.107 -4.968 -11.603 1.00 0.00 H new ATOM 0 HG21 THR A 113 2.019 -3.693 -9.924 1.00 0.00 H new ATOM 0 HG22 THR A 113 1.958 -1.923 -10.100 1.00 0.00 H new ATOM 0 HG23 THR A 113 0.465 -2.837 -9.781 1.00 0.00 H new