USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 432 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 18 TYR OH : rot 180:sc= 0.00737 USER MOD Set 1.2: A 53 THR OG1 : rot -107:sc= 1.69 USER MOD Single : A 12 TYR OH : rot 132:sc= 0.0403 USER MOD Single : A 14 GLN : amide:sc= -1.82! C(o=-1.8!,f=-2.6!) USER MOD Single : A 15 SER OG : rot 180:sc= -0.951 USER MOD Single : A 19 THR OG1 : rot -120:sc= -0.373 USER MOD Single : A 22 HIS : no HD1:sc= 0.0174 K(o=0.017,f=-2.1!) USER MOD Single : A 23 ASN : amide:sc= -2.7 K(o=-2.7,f=-13!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0739 USER MOD Single : A 35 TYR OH : rot -59:sc= -2.75! USER MOD Single : A 36 THR OG1 : rot -156:sc= -2.07! USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -1.41 K(o=-1.4,f=-5.8!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -45:sc= 0.308 USER MOD Single : A 68 HIS : no HD1:sc= -0.0027 X(o=-0.0027,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -1.02 USER MOD ----------------------------------------------------------------- ATOM 45 N PRO A 5 4.171 6.352 8.010 1.00 10.00 N ATOM 46 CA PRO A 5 3.704 4.978 8.148 1.00 10.00 C ATOM 47 C PRO A 5 4.770 3.929 7.800 1.00 10.00 C ATOM 48 O PRO A 5 4.810 2.854 8.396 1.00 10.00 O ATOM 49 CB PRO A 5 2.550 4.940 7.148 1.00 10.00 C ATOM 50 CG PRO A 5 2.922 5.908 6.067 1.00 10.00 C ATOM 51 CD PRO A 5 3.951 6.857 6.646 1.00 10.00 C ATOM 0 HA PRO A 5 3.432 4.731 9.174 1.00 10.00 H new ATOM 0 HB2 PRO A 5 2.413 3.936 6.745 1.00 10.00 H new ATOM 0 HB3 PRO A 5 1.611 5.224 7.622 1.00 10.00 H new ATOM 0 HG2 PRO A 5 3.328 5.382 5.203 1.00 10.00 H new ATOM 0 HG3 PRO A 5 2.045 6.456 5.723 1.00 10.00 H new ATOM 0 HD2 PRO A 5 4.873 6.850 6.064 1.00 10.00 H new ATOM 0 HD3 PRO A 5 3.587 7.884 6.654 1.00 10.00 H new ATOM 59 N VAL A 6 5.637 4.254 6.847 1.00 10.00 N ATOM 60 CA VAL A 6 6.640 3.310 6.361 1.00 10.00 C ATOM 61 C VAL A 6 7.994 4.019 6.176 1.00 10.00 C ATOM 62 O VAL A 6 8.364 4.877 6.977 1.00 10.00 O ATOM 63 CB VAL A 6 6.193 2.668 5.010 1.00 10.00 C ATOM 64 CG1 VAL A 6 4.817 2.066 5.098 1.00 10.00 C ATOM 65 CG2 VAL A 6 6.225 3.661 3.877 1.00 10.00 C ATOM 0 H VAL A 6 5.666 5.167 6.394 1.00 10.00 H new ATOM 0 HA VAL A 6 6.746 2.519 7.103 1.00 10.00 H new ATOM 0 HB VAL A 6 6.912 1.874 4.806 1.00 10.00 H new ATOM 0 HG11 VAL A 6 4.548 1.631 4.135 1.00 10.00 H new ATOM 0 HG12 VAL A 6 4.808 1.289 5.862 1.00 10.00 H new ATOM 0 HG13 VAL A 6 4.097 2.841 5.360 1.00 10.00 H new ATOM 0 HG21 VAL A 6 5.907 3.173 2.956 1.00 10.00 H new ATOM 0 HG22 VAL A 6 5.552 4.489 4.100 1.00 10.00 H new ATOM 0 HG23 VAL A 6 7.239 4.041 3.755 1.00 10.00 H new ATOM 75 N ALA A 7 8.725 3.636 5.125 1.00 10.00 N ATOM 76 CA ALA A 7 9.994 4.249 4.725 1.00 10.00 C ATOM 77 C ALA A 7 9.891 5.760 4.418 1.00 10.00 C ATOM 78 O ALA A 7 10.828 6.337 3.869 1.00 10.00 O ATOM 79 CB ALA A 7 10.507 3.515 3.496 1.00 10.00 C ATOM 0 H ALA A 7 8.442 2.871 4.513 1.00 10.00 H new ATOM 0 HA ALA A 7 10.679 4.161 5.569 1.00 10.00 H new ATOM 0 HB1 ALA A 7 11.453 3.954 3.178 1.00 10.00 H new ATOM 0 HB2 ALA A 7 10.658 2.463 3.737 1.00 10.00 H new ATOM 0 HB3 ALA A 7 9.778 3.601 2.690 1.00 10.00 H new ATOM 85 N GLU A 8 8.745 6.376 4.742 1.00 10.00 N ATOM 86 CA GLU A 8 8.521 7.829 4.588 1.00 10.00 C ATOM 87 C GLU A 8 8.359 8.266 3.137 1.00 10.00 C ATOM 88 O GLU A 8 7.403 8.960 2.802 1.00 10.00 O ATOM 89 CB GLU A 8 9.638 8.646 5.245 1.00 10.00 C ATOM 90 CG GLU A 8 9.568 8.690 6.759 1.00 10.00 C ATOM 91 CD GLU A 8 10.547 9.689 7.343 1.00 10.00 C ATOM 92 OE1 GLU A 8 10.200 10.887 7.436 1.00 10.00 O ATOM 93 OE2 GLU A 8 11.676 9.290 7.697 1.00 10.00 O ATOM 0 H GLU A 8 7.939 5.880 5.122 1.00 10.00 H new ATOM 0 HA GLU A 8 7.578 8.027 5.098 1.00 10.00 H new ATOM 0 HB2 GLU A 8 10.600 8.228 4.949 1.00 10.00 H new ATOM 0 HB3 GLU A 8 9.601 9.665 4.861 1.00 10.00 H new ATOM 0 HG2 GLU A 8 8.556 8.951 7.068 1.00 10.00 H new ATOM 0 HG3 GLU A 8 9.778 7.699 7.161 1.00 10.00 H new ATOM 100 N CYS A 9 9.280 7.860 2.281 1.00 10.00 N ATOM 101 CA CYS A 9 9.319 8.355 0.912 1.00 10.00 C ATOM 102 C CYS A 9 8.224 7.739 0.056 1.00 10.00 C ATOM 103 O CYS A 9 8.028 8.141 -1.086 1.00 10.00 O ATOM 104 CB CYS A 9 10.658 8.032 0.276 1.00 10.00 C ATOM 105 SG CYS A 9 12.117 8.575 1.221 1.00 10.00 S ATOM 0 H CYS A 9 10.013 7.188 2.508 1.00 10.00 H new ATOM 0 HA CYS A 9 9.166 9.433 0.959 1.00 10.00 H new ATOM 0 HB2 CYS A 9 10.721 6.954 0.128 1.00 10.00 H new ATOM 0 HB3 CYS A 9 10.693 8.492 -0.712 1.00 10.00 H new ATOM 110 N VAL A 10 7.532 6.751 0.593 1.00 10.00 N ATOM 111 CA VAL A 10 6.476 6.096 -0.155 1.00 10.00 C ATOM 112 C VAL A 10 5.141 6.733 0.226 1.00 10.00 C ATOM 113 O VAL A 10 4.852 6.926 1.409 1.00 10.00 O ATOM 114 CB VAL A 10 6.469 4.554 0.059 1.00 10.00 C ATOM 115 CG1 VAL A 10 7.637 4.114 0.937 1.00 10.00 C ATOM 116 CG2 VAL A 10 5.144 4.060 0.631 1.00 10.00 C ATOM 0 H VAL A 10 7.680 6.388 1.535 1.00 10.00 H new ATOM 0 HA VAL A 10 6.654 6.240 -1.221 1.00 10.00 H new ATOM 0 HB VAL A 10 6.588 4.097 -0.923 1.00 10.00 H new ATOM 0 HG11 VAL A 10 7.606 3.032 1.069 1.00 10.00 H new ATOM 0 HG12 VAL A 10 8.576 4.395 0.460 1.00 10.00 H new ATOM 0 HG13 VAL A 10 7.564 4.600 1.910 1.00 10.00 H new ATOM 0 HG21 VAL A 10 5.185 2.979 0.763 1.00 10.00 H new ATOM 0 HG22 VAL A 10 4.963 4.537 1.594 1.00 10.00 H new ATOM 0 HG23 VAL A 10 4.335 4.311 -0.055 1.00 10.00 H new ATOM 126 N GLU A 11 4.345 7.078 -0.772 1.00 10.00 N ATOM 127 CA GLU A 11 3.140 7.858 -0.548 1.00 10.00 C ATOM 128 C GLU A 11 1.960 7.244 -1.285 1.00 10.00 C ATOM 129 O GLU A 11 1.963 7.178 -2.508 1.00 10.00 O ATOM 130 CB GLU A 11 3.377 9.300 -1.021 1.00 10.00 C ATOM 131 CG GLU A 11 2.130 10.161 -1.078 1.00 10.00 C ATOM 132 CD GLU A 11 2.418 11.544 -1.633 1.00 10.00 C ATOM 133 OE1 GLU A 11 2.647 11.661 -2.856 1.00 10.00 O ATOM 134 OE2 GLU A 11 2.423 12.519 -0.849 1.00 10.00 O ATOM 0 H GLU A 11 4.512 6.830 -1.747 1.00 10.00 H new ATOM 0 HA GLU A 11 2.906 7.860 0.517 1.00 10.00 H new ATOM 0 HB2 GLU A 11 4.098 9.773 -0.354 1.00 10.00 H new ATOM 0 HB3 GLU A 11 3.829 9.273 -2.012 1.00 10.00 H new ATOM 0 HG2 GLU A 11 1.379 9.671 -1.698 1.00 10.00 H new ATOM 0 HG3 GLU A 11 1.707 10.253 -0.078 1.00 10.00 H new ATOM 141 N TYR A 12 0.970 6.754 -0.551 1.00 10.00 N ATOM 142 CA TYR A 12 -0.233 6.238 -1.190 1.00 10.00 C ATOM 143 C TYR A 12 -1.296 7.308 -1.377 1.00 10.00 C ATOM 144 O TYR A 12 -1.331 8.320 -0.676 1.00 10.00 O ATOM 145 CB TYR A 12 -0.835 5.022 -0.457 1.00 10.00 C ATOM 146 CG TYR A 12 -1.238 5.209 1.004 1.00 10.00 C ATOM 147 CD1 TYR A 12 -1.405 6.461 1.590 1.00 10.00 C ATOM 148 CD2 TYR A 12 -1.441 4.094 1.803 1.00 10.00 C ATOM 149 CE1 TYR A 12 -1.758 6.589 2.921 1.00 10.00 C ATOM 150 CE2 TYR A 12 -1.789 4.211 3.132 1.00 10.00 C ATOM 151 CZ TYR A 12 -1.944 5.461 3.689 1.00 10.00 C ATOM 152 OH TYR A 12 -2.278 5.581 5.017 1.00 10.00 O ATOM 0 H TYR A 12 0.974 6.703 0.468 1.00 10.00 H new ATOM 0 HA TYR A 12 0.095 5.902 -2.174 1.00 10.00 H new ATOM 0 HB2 TYR A 12 -1.716 4.698 -1.010 1.00 10.00 H new ATOM 0 HB3 TYR A 12 -0.112 4.208 -0.505 1.00 10.00 H new ATOM 0 HD1 TYR A 12 -1.256 7.349 0.994 1.00 10.00 H new ATOM 0 HD2 TYR A 12 -1.324 3.110 1.374 1.00 10.00 H new ATOM 0 HE1 TYR A 12 -1.887 7.569 3.356 1.00 10.00 H new ATOM 0 HE2 TYR A 12 -1.939 3.327 3.733 1.00 10.00 H new ATOM 0 HH TYR A 12 -3.032 4.989 5.219 1.00 10.00 H new ATOM 162 N PHE A 13 -2.148 7.065 -2.349 1.00 10.00 N ATOM 163 CA PHE A 13 -3.343 7.849 -2.562 1.00 10.00 C ATOM 164 C PHE A 13 -4.477 6.872 -2.818 1.00 10.00 C ATOM 165 O PHE A 13 -4.238 5.748 -3.259 1.00 10.00 O ATOM 166 CB PHE A 13 -3.162 8.812 -3.744 1.00 10.00 C ATOM 167 CG PHE A 13 -4.263 9.825 -3.883 1.00 10.00 C ATOM 168 CD1 PHE A 13 -4.292 10.949 -3.074 1.00 10.00 C ATOM 169 CD2 PHE A 13 -5.267 9.654 -4.824 1.00 10.00 C ATOM 170 CE1 PHE A 13 -5.302 11.885 -3.201 1.00 10.00 C ATOM 171 CE2 PHE A 13 -6.278 10.584 -4.955 1.00 10.00 C ATOM 172 CZ PHE A 13 -6.295 11.703 -4.143 1.00 10.00 C ATOM 0 H PHE A 13 -2.028 6.308 -3.022 1.00 10.00 H new ATOM 0 HA PHE A 13 -3.561 8.465 -1.690 1.00 10.00 H new ATOM 0 HB2 PHE A 13 -2.213 9.336 -3.630 1.00 10.00 H new ATOM 0 HB3 PHE A 13 -3.098 8.232 -4.665 1.00 10.00 H new ATOM 0 HD1 PHE A 13 -3.517 11.096 -2.336 1.00 10.00 H new ATOM 0 HD2 PHE A 13 -5.258 8.783 -5.462 1.00 10.00 H new ATOM 0 HE1 PHE A 13 -5.314 12.757 -2.564 1.00 10.00 H new ATOM 0 HE2 PHE A 13 -7.055 10.438 -5.691 1.00 10.00 H new ATOM 0 HZ PHE A 13 -7.084 12.434 -4.245 1.00 10.00 H new ATOM 182 N GLN A 14 -5.691 7.259 -2.502 1.00 10.00 N ATOM 183 CA GLN A 14 -6.811 6.357 -2.660 1.00 10.00 C ATOM 184 C GLN A 14 -7.696 6.790 -3.819 1.00 10.00 C ATOM 185 O GLN A 14 -8.428 7.778 -3.733 1.00 10.00 O ATOM 186 CB GLN A 14 -7.617 6.232 -1.352 1.00 10.00 C ATOM 187 CG GLN A 14 -8.150 7.546 -0.780 1.00 10.00 C ATOM 188 CD GLN A 14 -7.074 8.440 -0.185 1.00 10.00 C ATOM 189 OE1 GLN A 14 -6.060 7.963 0.327 1.00 10.00 O ATOM 190 NE2 GLN A 14 -7.284 9.745 -0.253 1.00 10.00 N ATOM 0 H GLN A 14 -5.928 8.182 -2.138 1.00 10.00 H new ATOM 0 HA GLN A 14 -6.416 5.368 -2.894 1.00 10.00 H new ATOM 0 HB2 GLN A 14 -8.460 5.564 -1.527 1.00 10.00 H new ATOM 0 HB3 GLN A 14 -6.986 5.758 -0.600 1.00 10.00 H new ATOM 0 HG2 GLN A 14 -8.666 8.092 -1.570 1.00 10.00 H new ATOM 0 HG3 GLN A 14 -8.889 7.323 -0.011 1.00 10.00 H new ATOM 0 HE21 GLN A 14 -8.136 10.103 -0.685 1.00 10.00 H new ATOM 0 HE22 GLN A 14 -6.594 10.393 0.126 1.00 10.00 H new ATOM 199 N SER A 15 -7.609 6.057 -4.916 1.00 10.00 N ATOM 200 CA SER A 15 -8.454 6.305 -6.055 1.00 10.00 C ATOM 201 C SER A 15 -9.487 5.189 -6.178 1.00 10.00 C ATOM 202 O SER A 15 -9.351 4.270 -6.991 1.00 10.00 O ATOM 203 CB SER A 15 -7.612 6.457 -7.325 1.00 10.00 C ATOM 204 OG SER A 15 -6.604 5.459 -7.410 1.00 10.00 O ATOM 0 H SER A 15 -6.956 5.283 -5.035 1.00 10.00 H new ATOM 0 HA SER A 15 -8.990 7.244 -5.916 1.00 10.00 H new ATOM 0 HB2 SER A 15 -8.259 6.396 -8.200 1.00 10.00 H new ATOM 0 HB3 SER A 15 -7.149 7.444 -7.339 1.00 10.00 H new ATOM 0 HG SER A 15 -6.087 5.585 -8.233 1.00 10.00 H new ATOM 210 N TRP A 16 -10.489 5.263 -5.302 1.00 10.00 N ATOM 211 CA TRP A 16 -11.583 4.294 -5.240 1.00 10.00 C ATOM 212 C TRP A 16 -11.094 2.912 -4.800 1.00 10.00 C ATOM 213 O TRP A 16 -11.102 2.600 -3.609 1.00 10.00 O ATOM 214 CB TRP A 16 -12.332 4.226 -6.576 1.00 10.00 C ATOM 215 CG TRP A 16 -12.886 5.559 -6.992 1.00 10.00 C ATOM 216 CD1 TRP A 16 -13.968 6.198 -6.456 1.00 10.00 C ATOM 217 CD2 TRP A 16 -12.383 6.421 -8.027 1.00 10.00 C ATOM 218 NE1 TRP A 16 -14.165 7.400 -7.088 1.00 10.00 N ATOM 219 CE2 TRP A 16 -13.210 7.559 -8.054 1.00 10.00 C ATOM 220 CE3 TRP A 16 -11.316 6.345 -8.928 1.00 10.00 C ATOM 221 CZ2 TRP A 16 -13.003 8.609 -8.944 1.00 10.00 C ATOM 222 CZ3 TRP A 16 -11.113 7.387 -9.813 1.00 10.00 C ATOM 223 CH2 TRP A 16 -11.953 8.506 -9.815 1.00 10.00 C ATOM 0 H TRP A 16 -10.565 6.006 -4.607 1.00 10.00 H new ATOM 0 HA TRP A 16 -12.285 4.639 -4.481 1.00 10.00 H new ATOM 0 HB2 TRP A 16 -11.657 3.859 -7.349 1.00 10.00 H new ATOM 0 HB3 TRP A 16 -13.147 3.506 -6.496 1.00 10.00 H new ATOM 0 HD1 TRP A 16 -14.579 5.813 -5.653 1.00 10.00 H new ATOM 0 HE1 TRP A 16 -14.905 8.068 -6.872 1.00 10.00 H new ATOM 0 HE3 TRP A 16 -10.661 5.486 -8.932 1.00 10.00 H new ATOM 0 HZ2 TRP A 16 -13.649 9.475 -8.947 1.00 10.00 H new ATOM 0 HZ3 TRP A 16 -10.293 7.337 -10.514 1.00 10.00 H new ATOM 0 HH2 TRP A 16 -11.769 9.305 -10.518 1.00 10.00 H new ATOM 234 N ARG A 17 -10.634 2.100 -5.743 1.00 10.00 N ATOM 235 CA ARG A 17 -10.225 0.732 -5.430 1.00 10.00 C ATOM 236 C ARG A 17 -8.738 0.539 -5.723 1.00 10.00 C ATOM 237 O ARG A 17 -8.264 -0.577 -5.917 1.00 10.00 O ATOM 238 CB ARG A 17 -11.065 -0.268 -6.235 1.00 10.00 C ATOM 239 CG ARG A 17 -11.001 -1.690 -5.701 1.00 10.00 C ATOM 240 CD ARG A 17 -11.744 -2.654 -6.603 1.00 10.00 C ATOM 241 NE ARG A 17 -11.082 -2.822 -7.900 1.00 10.00 N ATOM 242 CZ ARG A 17 -11.215 -3.904 -8.663 1.00 10.00 C ATOM 243 NH1 ARG A 17 -11.983 -4.911 -8.264 1.00 10.00 N ATOM 244 NH2 ARG A 17 -10.573 -3.979 -9.825 1.00 10.00 N ATOM 0 H ARG A 17 -10.534 2.360 -6.724 1.00 10.00 H new ATOM 0 HA ARG A 17 -10.392 0.552 -4.368 1.00 10.00 H new ATOM 0 HB2 ARG A 17 -12.104 0.063 -6.238 1.00 10.00 H new ATOM 0 HB3 ARG A 17 -10.726 -0.263 -7.271 1.00 10.00 H new ATOM 0 HG2 ARG A 17 -9.960 -2.001 -5.613 1.00 10.00 H new ATOM 0 HG3 ARG A 17 -11.429 -1.724 -4.699 1.00 10.00 H new ATOM 0 HD2 ARG A 17 -11.823 -3.623 -6.110 1.00 10.00 H new ATOM 0 HD3 ARG A 17 -12.760 -2.292 -6.760 1.00 10.00 H new ATOM 0 HE ARG A 17 -10.485 -2.066 -8.237 1.00 10.00 H new ATOM 0 HH11 ARG A 17 -12.473 -4.856 -7.371 1.00 10.00 H new ATOM 0 HH12 ARG A 17 -12.083 -5.739 -8.851 1.00 10.00 H new ATOM 0 HH21 ARG A 17 -9.979 -3.208 -10.130 1.00 10.00 H new ATOM 0 HH22 ARG A 17 -10.674 -4.808 -10.411 1.00 10.00 H new ATOM 258 N TYR A 18 -8.006 1.632 -5.696 1.00 10.00 N ATOM 259 CA TYR A 18 -6.603 1.638 -6.062 1.00 10.00 C ATOM 260 C TYR A 18 -5.842 2.490 -5.069 1.00 10.00 C ATOM 261 O TYR A 18 -5.901 3.723 -5.128 1.00 10.00 O ATOM 262 CB TYR A 18 -6.429 2.237 -7.454 1.00 10.00 C ATOM 263 CG TYR A 18 -5.440 1.521 -8.361 1.00 10.00 C ATOM 264 CD1 TYR A 18 -4.060 1.734 -8.276 1.00 10.00 C ATOM 265 CD2 TYR A 18 -5.905 0.638 -9.331 1.00 10.00 C ATOM 266 CE1 TYR A 18 -3.190 1.084 -9.130 1.00 10.00 C ATOM 267 CE2 TYR A 18 -5.036 -0.014 -10.183 1.00 10.00 C ATOM 268 CZ TYR A 18 -3.680 0.213 -10.081 1.00 10.00 C ATOM 269 OH TYR A 18 -2.811 -0.431 -10.935 1.00 10.00 O ATOM 0 H TYR A 18 -8.367 2.545 -5.419 1.00 10.00 H new ATOM 0 HA TYR A 18 -6.226 0.615 -6.058 1.00 10.00 H new ATOM 0 HB2 TYR A 18 -7.401 2.252 -7.947 1.00 10.00 H new ATOM 0 HB3 TYR A 18 -6.110 3.274 -7.346 1.00 10.00 H new ATOM 0 HD1 TYR A 18 -3.670 2.415 -7.534 1.00 10.00 H new ATOM 0 HD2 TYR A 18 -6.966 0.459 -9.419 1.00 10.00 H new ATOM 0 HE1 TYR A 18 -2.127 1.258 -9.053 1.00 10.00 H new ATOM 0 HE2 TYR A 18 -5.417 -0.699 -10.926 1.00 10.00 H new ATOM 0 HH TYR A 18 -3.318 -1.009 -11.543 1.00 10.00 H new ATOM 279 N THR A 19 -5.191 1.859 -4.124 1.00 10.00 N ATOM 280 CA THR A 19 -4.314 2.570 -3.231 1.00 10.00 C ATOM 281 C THR A 19 -2.903 2.585 -3.819 1.00 10.00 C ATOM 282 O THR A 19 -2.155 1.611 -3.716 1.00 10.00 O ATOM 283 CB THR A 19 -4.380 1.951 -1.822 1.00 10.00 C ATOM 284 OG1 THR A 19 -5.613 2.355 -1.210 1.00 10.00 O ATOM 285 CG2 THR A 19 -3.210 2.366 -0.939 1.00 10.00 C ATOM 0 H THR A 19 -5.252 0.855 -3.954 1.00 10.00 H new ATOM 0 HA THR A 19 -4.631 3.607 -3.125 1.00 10.00 H new ATOM 0 HB THR A 19 -4.325 0.867 -1.926 1.00 10.00 H new ATOM 0 HG1 THR A 19 -5.422 2.854 -0.388 1.00 10.00 H new ATOM 0 HG21 THR A 19 -3.310 1.899 0.041 1.00 10.00 H new ATOM 0 HG22 THR A 19 -2.275 2.046 -1.399 1.00 10.00 H new ATOM 0 HG23 THR A 19 -3.206 3.450 -0.826 1.00 10.00 H new ATOM 293 N ASP A 20 -2.602 3.678 -4.519 1.00 10.00 N ATOM 294 CA ASP A 20 -1.327 3.856 -5.201 1.00 10.00 C ATOM 295 C ASP A 20 -0.257 4.369 -4.262 1.00 10.00 C ATOM 296 O ASP A 20 -0.275 5.525 -3.865 1.00 10.00 O ATOM 297 CB ASP A 20 -1.464 4.824 -6.388 1.00 10.00 C ATOM 298 CG ASP A 20 -2.265 6.081 -6.079 1.00 10.00 C ATOM 299 OD1 ASP A 20 -3.515 6.022 -6.123 1.00 10.00 O ATOM 300 OD2 ASP A 20 -1.644 7.137 -5.817 1.00 10.00 O ATOM 0 H ASP A 20 -3.240 4.466 -4.628 1.00 10.00 H new ATOM 0 HA ASP A 20 -1.029 2.874 -5.569 1.00 10.00 H new ATOM 0 HB2 ASP A 20 -0.468 5.114 -6.722 1.00 10.00 H new ATOM 0 HB3 ASP A 20 -1.938 4.299 -7.217 1.00 10.00 H new ATOM 305 N VAL A 21 0.684 3.513 -3.912 1.00 10.00 N ATOM 306 CA VAL A 21 1.808 3.946 -3.105 1.00 10.00 C ATOM 307 C VAL A 21 2.998 4.206 -4.008 1.00 10.00 C ATOM 308 O VAL A 21 3.560 3.301 -4.624 1.00 10.00 O ATOM 309 CB VAL A 21 2.146 2.982 -1.921 1.00 10.00 C ATOM 310 CG1 VAL A 21 1.259 1.752 -1.926 1.00 10.00 C ATOM 311 CG2 VAL A 21 3.612 2.574 -1.896 1.00 10.00 C ATOM 0 H VAL A 21 0.694 2.526 -4.170 1.00 10.00 H new ATOM 0 HA VAL A 21 1.526 4.876 -2.611 1.00 10.00 H new ATOM 0 HB VAL A 21 1.948 3.548 -1.011 1.00 10.00 H new ATOM 0 HG11 VAL A 21 1.526 1.108 -1.088 1.00 10.00 H new ATOM 0 HG12 VAL A 21 0.216 2.055 -1.833 1.00 10.00 H new ATOM 0 HG13 VAL A 21 1.397 1.208 -2.860 1.00 10.00 H new ATOM 0 HG21 VAL A 21 3.789 1.905 -1.054 1.00 10.00 H new ATOM 0 HG22 VAL A 21 3.863 2.062 -2.825 1.00 10.00 H new ATOM 0 HG23 VAL A 21 4.235 3.462 -1.791 1.00 10.00 H new ATOM 321 N HIS A 22 3.288 5.481 -4.153 1.00 10.00 N ATOM 322 CA HIS A 22 4.392 5.941 -4.963 1.00 10.00 C ATOM 323 C HIS A 22 5.578 6.287 -4.083 1.00 10.00 C ATOM 324 O HIS A 22 5.527 7.250 -3.321 1.00 10.00 O ATOM 325 CB HIS A 22 3.983 7.153 -5.827 1.00 10.00 C ATOM 326 CG HIS A 22 2.717 7.853 -5.402 1.00 10.00 C ATOM 327 ND1 HIS A 22 2.688 9.072 -4.755 1.00 10.00 N ATOM 328 CD2 HIS A 22 1.421 7.498 -5.582 1.00 10.00 C ATOM 329 CE1 HIS A 22 1.427 9.432 -4.560 1.00 10.00 C ATOM 330 NE2 HIS A 22 0.644 8.492 -5.054 1.00 10.00 N ATOM 0 H HIS A 22 2.760 6.232 -3.708 1.00 10.00 H new ATOM 0 HA HIS A 22 4.679 5.134 -5.638 1.00 10.00 H new ATOM 0 HB2 HIS A 22 4.799 7.876 -5.817 1.00 10.00 H new ATOM 0 HB3 HIS A 22 3.865 6.819 -6.858 1.00 10.00 H new ATOM 0 HD2 HIS A 22 1.067 6.595 -6.056 1.00 10.00 H new ATOM 0 HE1 HIS A 22 1.097 10.341 -4.078 1.00 10.00 H new ATOM 0 HE2 HIS A 22 -0.376 8.505 -5.044 1.00 10.00 H new ATOM 339 N ASN A 23 6.629 5.481 -4.163 1.00 10.00 N ATOM 340 CA ASN A 23 7.840 5.733 -3.395 1.00 10.00 C ATOM 341 C ASN A 23 8.710 6.768 -4.120 1.00 10.00 C ATOM 342 O ASN A 23 8.549 6.979 -5.316 1.00 10.00 O ATOM 343 CB ASN A 23 8.627 4.426 -3.181 1.00 10.00 C ATOM 344 CG ASN A 23 9.984 4.635 -2.503 1.00 10.00 C ATOM 345 OD1 ASN A 23 10.133 5.474 -1.615 1.00 10.00 O ATOM 346 ND2 ASN A 23 10.994 3.889 -2.935 1.00 10.00 N ATOM 0 H ASN A 23 6.667 4.649 -4.751 1.00 10.00 H new ATOM 0 HA ASN A 23 7.561 6.127 -2.418 1.00 10.00 H new ATOM 0 HB2 ASN A 23 8.028 3.745 -2.576 1.00 10.00 H new ATOM 0 HB3 ASN A 23 8.782 3.942 -4.145 1.00 10.00 H new ATOM 0 HD21 ASN A 23 11.923 4.004 -2.529 1.00 10.00 H new ATOM 0 HD22 ASN A 23 10.841 3.201 -3.673 1.00 10.00 H new ATOM 353 N GLY A 24 9.612 7.419 -3.400 1.00 10.00 N ATOM 354 CA GLY A 24 10.560 8.316 -4.033 1.00 10.00 C ATOM 355 C GLY A 24 11.859 8.418 -3.258 1.00 10.00 C ATOM 356 O GLY A 24 12.587 9.400 -3.379 1.00 10.00 O ATOM 0 H GLY A 24 9.705 7.343 -2.387 1.00 10.00 H new ATOM 0 HA2 GLY A 24 10.769 7.966 -5.044 1.00 10.00 H new ATOM 0 HA3 GLY A 24 10.115 9.307 -4.124 1.00 10.00 H new ATOM 360 N CYS A 25 12.152 7.393 -2.463 1.00 10.00 N ATOM 361 CA CYS A 25 13.344 7.383 -1.615 1.00 10.00 C ATOM 362 C CYS A 25 14.605 7.117 -2.423 1.00 10.00 C ATOM 363 O CYS A 25 15.713 7.337 -1.934 1.00 10.00 O ATOM 364 CB CYS A 25 13.218 6.316 -0.534 1.00 10.00 C ATOM 365 SG CYS A 25 13.332 6.947 1.178 1.00 10.00 S ATOM 0 H CYS A 25 11.578 6.553 -2.387 1.00 10.00 H new ATOM 0 HA CYS A 25 13.422 8.370 -1.159 1.00 10.00 H new ATOM 0 HB2 CYS A 25 12.263 5.806 -0.656 1.00 10.00 H new ATOM 0 HB3 CYS A 25 13.999 5.571 -0.685 1.00 10.00 H new ATOM 370 N ALA A 26 14.407 6.599 -3.635 1.00 10.00 N ATOM 371 CA ALA A 26 15.491 6.264 -4.577 1.00 10.00 C ATOM 372 C ALA A 26 16.048 4.877 -4.302 1.00 10.00 C ATOM 373 O ALA A 26 16.914 4.387 -5.025 1.00 10.00 O ATOM 374 CB ALA A 26 16.605 7.298 -4.571 1.00 10.00 C ATOM 0 H ALA A 26 13.477 6.395 -4.002 1.00 10.00 H new ATOM 0 HA ALA A 26 15.050 6.270 -5.574 1.00 10.00 H new ATOM 0 HB1 ALA A 26 17.378 7.004 -5.281 1.00 10.00 H new ATOM 0 HB2 ALA A 26 16.201 8.270 -4.855 1.00 10.00 H new ATOM 0 HB3 ALA A 26 17.036 7.363 -3.572 1.00 10.00 H new ATOM 380 N ASP A 27 15.555 4.252 -3.248 1.00 10.00 N ATOM 381 CA ASP A 27 15.917 2.884 -2.941 1.00 10.00 C ATOM 382 C ASP A 27 14.672 2.027 -2.768 1.00 10.00 C ATOM 383 O ASP A 27 13.576 2.540 -2.518 1.00 10.00 O ATOM 384 CB ASP A 27 16.786 2.826 -1.682 1.00 10.00 C ATOM 385 CG ASP A 27 16.034 3.190 -0.417 1.00 10.00 C ATOM 386 OD1 ASP A 27 15.312 4.209 -0.423 1.00 10.00 O ATOM 387 OD2 ASP A 27 16.194 2.483 0.600 1.00 10.00 O ATOM 0 H ASP A 27 14.900 4.674 -2.589 1.00 10.00 H new ATOM 0 HA ASP A 27 16.495 2.488 -3.776 1.00 10.00 H new ATOM 0 HB2 ASP A 27 17.195 1.821 -1.577 1.00 10.00 H new ATOM 0 HB3 ASP A 27 17.632 3.503 -1.801 1.00 10.00 H new ATOM 392 N ALA A 28 14.841 0.733 -2.971 1.00 10.00 N ATOM 393 CA ALA A 28 13.758 -0.229 -2.805 1.00 10.00 C ATOM 394 C ALA A 28 13.411 -0.417 -1.334 1.00 10.00 C ATOM 395 O ALA A 28 14.278 -0.734 -0.516 1.00 10.00 O ATOM 396 CB ALA A 28 14.129 -1.570 -3.427 1.00 10.00 C ATOM 0 H ALA A 28 15.728 0.317 -3.255 1.00 10.00 H new ATOM 0 HA ALA A 28 12.882 0.168 -3.318 1.00 10.00 H new ATOM 0 HB1 ALA A 28 13.307 -2.273 -3.292 1.00 10.00 H new ATOM 0 HB2 ALA A 28 14.321 -1.437 -4.492 1.00 10.00 H new ATOM 0 HB3 ALA A 28 15.024 -1.960 -2.943 1.00 10.00 H new ATOM 402 N VAL A 29 12.141 -0.239 -1.004 1.00 10.00 N ATOM 403 CA VAL A 29 11.679 -0.424 0.366 1.00 10.00 C ATOM 404 C VAL A 29 10.427 -1.274 0.408 1.00 10.00 C ATOM 405 O VAL A 29 9.538 -1.131 -0.422 1.00 10.00 O ATOM 406 CB VAL A 29 11.397 0.910 1.085 1.00 10.00 C ATOM 407 CG1 VAL A 29 12.678 1.698 1.293 1.00 10.00 C ATOM 408 CG2 VAL A 29 10.381 1.743 0.321 1.00 10.00 C ATOM 0 H VAL A 29 11.412 0.033 -1.664 1.00 10.00 H new ATOM 0 HA VAL A 29 12.491 -0.929 0.888 1.00 10.00 H new ATOM 0 HB VAL A 29 10.976 0.673 2.062 1.00 10.00 H new ATOM 0 HG11 VAL A 29 12.450 2.635 1.802 1.00 10.00 H new ATOM 0 HG12 VAL A 29 13.370 1.114 1.900 1.00 10.00 H new ATOM 0 HG13 VAL A 29 13.134 1.912 0.327 1.00 10.00 H new ATOM 0 HG21 VAL A 29 10.203 2.678 0.853 1.00 10.00 H new ATOM 0 HG22 VAL A 29 10.765 1.960 -0.676 1.00 10.00 H new ATOM 0 HG23 VAL A 29 9.446 1.189 0.237 1.00 10.00 H new ATOM 418 N SER A 30 10.354 -2.143 1.390 1.00 10.00 N ATOM 419 CA SER A 30 9.223 -3.033 1.524 1.00 10.00 C ATOM 420 C SER A 30 8.150 -2.355 2.339 1.00 10.00 C ATOM 421 O SER A 30 8.398 -1.885 3.447 1.00 10.00 O ATOM 422 CB SER A 30 9.669 -4.334 2.176 1.00 10.00 C ATOM 423 OG SER A 30 10.870 -4.812 1.587 1.00 10.00 O ATOM 0 H SER A 30 11.067 -2.253 2.111 1.00 10.00 H new ATOM 0 HA SER A 30 8.815 -3.269 0.541 1.00 10.00 H new ATOM 0 HB2 SER A 30 9.821 -4.177 3.244 1.00 10.00 H new ATOM 0 HB3 SER A 30 8.885 -5.084 2.073 1.00 10.00 H new ATOM 0 HG SER A 30 11.138 -5.648 2.023 1.00 10.00 H new ATOM 429 N VAL A 31 6.968 -2.260 1.767 1.00 10.00 N ATOM 430 CA VAL A 31 5.869 -1.613 2.432 1.00 10.00 C ATOM 431 C VAL A 31 4.686 -2.568 2.555 1.00 10.00 C ATOM 432 O VAL A 31 4.466 -3.426 1.708 1.00 10.00 O ATOM 433 CB VAL A 31 5.451 -0.317 1.683 1.00 10.00 C ATOM 434 CG1 VAL A 31 6.665 0.367 1.052 1.00 10.00 C ATOM 435 CG2 VAL A 31 4.373 -0.588 0.626 1.00 10.00 C ATOM 0 H VAL A 31 6.749 -2.625 0.840 1.00 10.00 H new ATOM 0 HA VAL A 31 6.194 -1.332 3.434 1.00 10.00 H new ATOM 0 HB VAL A 31 5.021 0.357 2.424 1.00 10.00 H new ATOM 0 HG11 VAL A 31 6.345 1.271 0.534 1.00 10.00 H new ATOM 0 HG12 VAL A 31 7.381 0.629 1.831 1.00 10.00 H new ATOM 0 HG13 VAL A 31 7.136 -0.311 0.340 1.00 10.00 H new ATOM 0 HG21 VAL A 31 4.110 0.345 0.127 1.00 10.00 H new ATOM 0 HG22 VAL A 31 4.754 -1.298 -0.108 1.00 10.00 H new ATOM 0 HG23 VAL A 31 3.488 -1.004 1.107 1.00 10.00 H new ATOM 445 N THR A 32 3.964 -2.428 3.635 1.00 10.00 N ATOM 446 CA THR A 32 2.775 -3.214 3.892 1.00 10.00 C ATOM 447 C THR A 32 1.598 -2.284 4.154 1.00 10.00 C ATOM 448 O THR A 32 1.799 -1.120 4.493 1.00 10.00 O ATOM 449 CB THR A 32 2.966 -4.193 5.086 1.00 10.00 C ATOM 450 OG1 THR A 32 1.785 -4.242 5.897 1.00 10.00 O ATOM 451 CG2 THR A 32 4.155 -3.830 5.960 1.00 10.00 C ATOM 0 H THR A 32 4.183 -1.759 4.373 1.00 10.00 H new ATOM 0 HA THR A 32 2.577 -3.821 3.009 1.00 10.00 H new ATOM 0 HB THR A 32 3.159 -5.172 4.648 1.00 10.00 H new ATOM 0 HG1 THR A 32 1.925 -4.864 6.641 1.00 10.00 H new ATOM 0 HG21 THR A 32 4.239 -4.547 6.776 1.00 10.00 H new ATOM 0 HG22 THR A 32 5.066 -3.852 5.362 1.00 10.00 H new ATOM 0 HG23 THR A 32 4.014 -2.830 6.369 1.00 10.00 H new ATOM 459 N VAL A 33 0.381 -2.780 3.996 1.00 10.00 N ATOM 460 CA VAL A 33 -0.796 -1.958 4.203 1.00 10.00 C ATOM 461 C VAL A 33 -1.795 -2.675 5.071 1.00 10.00 C ATOM 462 O VAL A 33 -2.030 -3.876 4.912 1.00 10.00 O ATOM 463 CB VAL A 33 -1.485 -1.556 2.889 1.00 10.00 C ATOM 464 CG1 VAL A 33 -1.305 -0.074 2.621 1.00 10.00 C ATOM 465 CG2 VAL A 33 -0.948 -2.368 1.732 1.00 10.00 C ATOM 0 H VAL A 33 0.185 -3.744 3.726 1.00 10.00 H new ATOM 0 HA VAL A 33 -0.447 -1.049 4.692 1.00 10.00 H new ATOM 0 HB VAL A 33 -2.551 -1.762 2.990 1.00 10.00 H new ATOM 0 HG11 VAL A 33 -1.800 0.190 1.686 1.00 10.00 H new ATOM 0 HG12 VAL A 33 -1.743 0.499 3.438 1.00 10.00 H new ATOM 0 HG13 VAL A 33 -0.242 0.156 2.546 1.00 10.00 H new ATOM 0 HG21 VAL A 33 -1.450 -2.067 0.812 1.00 10.00 H new ATOM 0 HG22 VAL A 33 0.124 -2.196 1.634 1.00 10.00 H new ATOM 0 HG23 VAL A 33 -1.131 -3.427 1.915 1.00 10.00 H new ATOM 475 N GLU A 34 -2.390 -1.938 5.982 1.00 10.00 N ATOM 476 CA GLU A 34 -3.328 -2.514 6.914 1.00 10.00 C ATOM 477 C GLU A 34 -4.729 -2.080 6.531 1.00 10.00 C ATOM 478 O GLU A 34 -5.035 -0.885 6.517 1.00 10.00 O ATOM 479 CB GLU A 34 -2.991 -2.079 8.336 1.00 10.00 C ATOM 480 CG GLU A 34 -3.601 -2.969 9.408 1.00 10.00 C ATOM 481 CD GLU A 34 -3.074 -4.389 9.356 1.00 10.00 C ATOM 482 OE1 GLU A 34 -1.857 -4.582 9.549 1.00 10.00 O ATOM 483 OE2 GLU A 34 -3.877 -5.323 9.143 1.00 10.00 O ATOM 0 H GLU A 34 -2.239 -0.936 6.096 1.00 10.00 H new ATOM 0 HA GLU A 34 -3.269 -3.602 6.876 1.00 10.00 H new ATOM 0 HB2 GLU A 34 -1.908 -2.070 8.457 1.00 10.00 H new ATOM 0 HB3 GLU A 34 -3.337 -1.056 8.485 1.00 10.00 H new ATOM 0 HG2 GLU A 34 -3.393 -2.544 10.390 1.00 10.00 H new ATOM 0 HG3 GLU A 34 -4.685 -2.983 9.290 1.00 10.00 H new ATOM 490 N TYR A 35 -5.561 -3.038 6.166 1.00 10.00 N ATOM 491 CA TYR A 35 -6.886 -2.724 5.667 1.00 10.00 C ATOM 492 C TYR A 35 -7.926 -2.724 6.772 1.00 10.00 C ATOM 493 O TYR A 35 -7.704 -3.237 7.872 1.00 10.00 O ATOM 494 CB TYR A 35 -7.314 -3.719 4.584 1.00 10.00 C ATOM 495 CG TYR A 35 -6.337 -3.850 3.446 1.00 10.00 C ATOM 496 CD1 TYR A 35 -5.282 -4.749 3.517 1.00 10.00 C ATOM 497 CD2 TYR A 35 -6.480 -3.091 2.296 1.00 10.00 C ATOM 498 CE1 TYR A 35 -4.396 -4.887 2.471 1.00 10.00 C ATOM 499 CE2 TYR A 35 -5.595 -3.224 1.247 1.00 10.00 C ATOM 500 CZ TYR A 35 -4.559 -4.123 1.340 1.00 10.00 C ATOM 501 OH TYR A 35 -3.682 -4.253 0.296 1.00 10.00 O ATOM 0 H TYR A 35 -5.344 -4.034 6.205 1.00 10.00 H new ATOM 0 HA TYR A 35 -6.827 -1.721 5.244 1.00 10.00 H new ATOM 0 HB2 TYR A 35 -7.455 -4.698 5.041 1.00 10.00 H new ATOM 0 HB3 TYR A 35 -8.280 -3.411 4.185 1.00 10.00 H new ATOM 0 HD1 TYR A 35 -5.154 -5.349 4.406 1.00 10.00 H new ATOM 0 HD2 TYR A 35 -7.295 -2.386 2.220 1.00 10.00 H new ATOM 0 HE1 TYR A 35 -3.579 -5.590 2.539 1.00 10.00 H new ATOM 0 HE2 TYR A 35 -5.715 -2.625 0.357 1.00 10.00 H new ATOM 0 HH TYR A 35 -2.774 -4.051 0.604 1.00 10.00 H new ATOM 511 N THR A 36 -9.059 -2.123 6.451 1.00 10.00 N ATOM 512 CA THR A 36 -10.254 -2.182 7.269 1.00 10.00 C ATOM 513 C THR A 36 -10.646 -3.640 7.604 1.00 10.00 C ATOM 514 O THR A 36 -11.341 -3.899 8.583 1.00 10.00 O ATOM 515 CB THR A 36 -11.400 -1.427 6.545 1.00 10.00 C ATOM 516 OG1 THR A 36 -11.074 -0.032 6.479 1.00 10.00 O ATOM 517 CG2 THR A 36 -12.743 -1.606 7.246 1.00 10.00 C ATOM 0 H THR A 36 -9.174 -1.572 5.600 1.00 10.00 H new ATOM 0 HA THR A 36 -10.058 -1.695 8.224 1.00 10.00 H new ATOM 0 HB THR A 36 -11.497 -1.847 5.544 1.00 10.00 H new ATOM 0 HG1 THR A 36 -11.897 0.492 6.389 1.00 10.00 H new ATOM 0 HG21 THR A 36 -13.513 -1.059 6.702 1.00 10.00 H new ATOM 0 HG22 THR A 36 -13.001 -2.665 7.274 1.00 10.00 H new ATOM 0 HG23 THR A 36 -12.676 -1.222 8.264 1.00 10.00 H new ATOM 525 N HIS A 37 -10.186 -4.592 6.798 1.00 10.00 N ATOM 526 CA HIS A 37 -10.320 -6.003 7.143 1.00 10.00 C ATOM 527 C HIS A 37 -9.013 -6.729 6.864 1.00 10.00 C ATOM 528 O HIS A 37 -8.271 -7.069 7.781 1.00 10.00 O ATOM 529 CB HIS A 37 -11.463 -6.676 6.379 1.00 10.00 C ATOM 530 CG HIS A 37 -12.824 -6.333 6.898 1.00 10.00 C ATOM 531 ND1 HIS A 37 -13.422 -6.985 7.953 1.00 10.00 N ATOM 532 CD2 HIS A 37 -13.711 -5.404 6.484 1.00 10.00 C ATOM 533 CE1 HIS A 37 -14.617 -6.465 8.170 1.00 10.00 C ATOM 534 NE2 HIS A 37 -14.821 -5.503 7.286 1.00 10.00 N ATOM 0 H HIS A 37 -9.721 -4.414 5.908 1.00 10.00 H new ATOM 0 HA HIS A 37 -10.556 -6.061 8.205 1.00 10.00 H new ATOM 0 HB2 HIS A 37 -11.403 -6.390 5.329 1.00 10.00 H new ATOM 0 HB3 HIS A 37 -11.330 -7.757 6.423 1.00 10.00 H new ATOM 0 HD2 HIS A 37 -13.573 -4.709 5.669 1.00 10.00 H new ATOM 0 HE1 HIS A 37 -15.310 -6.773 8.939 1.00 10.00 H new ATOM 0 HE2 HIS A 37 -15.662 -4.930 7.212 1.00 10.00 H new ATOM 543 N GLY A 38 -8.735 -6.953 5.589 1.00 10.00 N ATOM 544 CA GLY A 38 -7.487 -7.575 5.203 1.00 10.00 C ATOM 545 C GLY A 38 -7.629 -8.405 3.945 1.00 10.00 C ATOM 546 O GLY A 38 -7.768 -9.623 4.014 1.00 10.00 O ATOM 0 H GLY A 38 -9.353 -6.714 4.813 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -6.732 -6.805 5.045 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -7.131 -8.208 6.016 1.00 10.00 H new ATOM 550 N GLN A 39 -7.609 -7.746 2.791 1.00 10.00 N ATOM 551 CA GLN A 39 -7.691 -8.434 1.496 1.00 10.00 C ATOM 552 C GLN A 39 -6.377 -9.134 1.133 1.00 10.00 C ATOM 553 O GLN A 39 -6.139 -9.449 -0.031 1.00 10.00 O ATOM 554 CB GLN A 39 -8.093 -7.443 0.392 1.00 10.00 C ATOM 555 CG GLN A 39 -9.586 -7.144 0.334 1.00 10.00 C ATOM 556 CD GLN A 39 -10.425 -8.340 -0.090 1.00 10.00 C ATOM 557 OE1 GLN A 39 -10.079 -9.491 0.174 1.00 10.00 O ATOM 558 NE2 GLN A 39 -11.536 -8.076 -0.759 1.00 10.00 N ATOM 0 H GLN A 39 -7.536 -6.731 2.721 1.00 10.00 H new ATOM 0 HA GLN A 39 -8.457 -9.205 1.582 1.00 10.00 H new ATOM 0 HB2 GLN A 39 -7.552 -6.509 0.544 1.00 10.00 H new ATOM 0 HB3 GLN A 39 -7.776 -7.842 -0.572 1.00 10.00 H new ATOM 0 HG2 GLN A 39 -9.920 -6.805 1.315 1.00 10.00 H new ATOM 0 HG3 GLN A 39 -9.758 -6.323 -0.363 1.00 10.00 H new ATOM 0 HE21 GLN A 39 -11.792 -7.110 -0.961 1.00 10.00 H new ATOM 0 HE22 GLN A 39 -12.136 -8.839 -1.073 1.00 10.00 H new ATOM 567 N TRP A 40 -5.555 -9.376 2.146 1.00 10.00 N ATOM 568 CA TRP A 40 -4.284 -10.083 2.000 1.00 10.00 C ATOM 569 C TRP A 40 -3.331 -9.369 1.034 1.00 10.00 C ATOM 570 O TRP A 40 -3.301 -9.645 -0.166 1.00 10.00 O ATOM 571 CB TRP A 40 -4.536 -11.541 1.578 1.00 10.00 C ATOM 572 CG TRP A 40 -3.291 -12.358 1.354 1.00 10.00 C ATOM 573 CD1 TRP A 40 -2.268 -12.582 2.235 1.00 10.00 C ATOM 574 CD2 TRP A 40 -2.952 -13.074 0.161 1.00 10.00 C ATOM 575 NE1 TRP A 40 -1.312 -13.381 1.654 1.00 10.00 N ATOM 576 CE2 TRP A 40 -1.712 -13.700 0.382 1.00 10.00 C ATOM 577 CE3 TRP A 40 -3.581 -13.245 -1.076 1.00 10.00 C ATOM 578 CZ2 TRP A 40 -1.088 -14.481 -0.590 1.00 10.00 C ATOM 579 CZ3 TRP A 40 -2.965 -14.021 -2.036 1.00 10.00 C ATOM 580 CH2 TRP A 40 -1.729 -14.631 -1.790 1.00 10.00 C ATOM 0 H TRP A 40 -5.752 -9.085 3.104 1.00 10.00 H new ATOM 0 HA TRP A 40 -3.787 -10.085 2.970 1.00 10.00 H new ATOM 0 HB2 TRP A 40 -5.140 -12.027 2.344 1.00 10.00 H new ATOM 0 HB3 TRP A 40 -5.124 -11.542 0.660 1.00 10.00 H new ATOM 0 HD1 TRP A 40 -2.219 -12.189 3.240 1.00 10.00 H new ATOM 0 HE1 TRP A 40 -0.446 -13.687 2.097 1.00 10.00 H new ATOM 0 HE3 TRP A 40 -4.534 -12.777 -1.277 1.00 10.00 H new ATOM 0 HZ2 TRP A 40 -0.134 -14.951 -0.403 1.00 10.00 H new ATOM 0 HZ3 TRP A 40 -3.444 -14.160 -2.994 1.00 10.00 H new ATOM 0 HH2 TRP A 40 -1.272 -15.232 -2.563 1.00 10.00 H new ATOM 591 N ALA A 41 -2.563 -8.432 1.587 1.00 10.00 N ATOM 592 CA ALA A 41 -1.510 -7.732 0.841 1.00 10.00 C ATOM 593 C ALA A 41 -0.581 -6.906 1.751 1.00 10.00 C ATOM 594 O ALA A 41 0.003 -5.923 1.291 1.00 10.00 O ATOM 595 CB ALA A 41 -2.113 -6.809 -0.217 1.00 10.00 C ATOM 0 H ALA A 41 -2.649 -8.135 2.559 1.00 10.00 H new ATOM 0 HA ALA A 41 -0.913 -8.510 0.364 1.00 10.00 H new ATOM 0 HB1 ALA A 41 -1.313 -6.302 -0.756 1.00 10.00 H new ATOM 0 HB2 ALA A 41 -2.706 -7.397 -0.917 1.00 10.00 H new ATOM 0 HB3 ALA A 41 -2.751 -6.069 0.267 1.00 10.00 H new ATOM 601 N PRO A 42 -0.362 -7.285 3.031 1.00 10.00 N ATOM 602 CA PRO A 42 0.395 -6.462 3.952 1.00 10.00 C ATOM 603 C PRO A 42 1.894 -6.767 3.902 1.00 10.00 C ATOM 604 O PRO A 42 2.497 -7.064 4.932 1.00 10.00 O ATOM 605 CB PRO A 42 -0.209 -6.827 5.328 1.00 10.00 C ATOM 606 CG PRO A 42 -1.072 -8.036 5.092 1.00 10.00 C ATOM 607 CD PRO A 42 -0.769 -8.521 3.701 1.00 10.00 C ATOM 0 HA PRO A 42 0.325 -5.400 3.718 1.00 10.00 H new ATOM 0 HB2 PRO A 42 0.575 -7.043 6.054 1.00 10.00 H new ATOM 0 HB3 PRO A 42 -0.796 -6.000 5.729 1.00 10.00 H new ATOM 0 HG2 PRO A 42 -0.859 -8.812 5.827 1.00 10.00 H new ATOM 0 HG3 PRO A 42 -2.128 -7.783 5.192 1.00 10.00 H new ATOM 0 HD2 PRO A 42 0.023 -9.270 3.693 1.00 10.00 H new ATOM 0 HD3 PRO A 42 -1.640 -8.974 3.228 1.00 10.00 H new ATOM 615 N CYS A 43 2.466 -6.697 2.688 1.00 10.00 N ATOM 616 CA CYS A 43 3.920 -6.762 2.467 1.00 10.00 C ATOM 617 C CYS A 43 4.253 -6.822 0.971 1.00 10.00 C ATOM 618 O CYS A 43 3.946 -7.804 0.298 1.00 10.00 O ATOM 619 CB CYS A 43 4.557 -7.956 3.187 1.00 10.00 C ATOM 620 SG CYS A 43 5.363 -7.517 4.764 1.00 10.00 S ATOM 0 H CYS A 43 1.929 -6.593 1.827 1.00 10.00 H new ATOM 0 HA CYS A 43 4.339 -5.848 2.887 1.00 10.00 H new ATOM 0 HB2 CYS A 43 3.789 -8.706 3.378 1.00 10.00 H new ATOM 0 HB3 CYS A 43 5.294 -8.415 2.528 1.00 10.00 H new ATOM 625 N ARG A 44 4.858 -5.753 0.458 1.00 10.00 N ATOM 626 CA ARG A 44 5.318 -5.700 -0.926 1.00 10.00 C ATOM 627 C ARG A 44 6.461 -4.693 -1.031 1.00 10.00 C ATOM 628 O ARG A 44 6.350 -3.579 -0.526 1.00 10.00 O ATOM 629 CB ARG A 44 4.165 -5.284 -1.852 1.00 10.00 C ATOM 630 CG ARG A 44 4.166 -5.963 -3.229 1.00 10.00 C ATOM 631 CD ARG A 44 5.214 -5.404 -4.218 1.00 10.00 C ATOM 632 NE ARG A 44 5.705 -6.457 -5.117 1.00 10.00 N ATOM 633 CZ ARG A 44 6.739 -6.331 -5.955 1.00 10.00 C ATOM 634 NH1 ARG A 44 7.474 -5.229 -5.973 1.00 10.00 N ATOM 635 NH2 ARG A 44 7.047 -7.335 -6.767 1.00 10.00 N ATOM 0 H ARG A 44 5.042 -4.902 0.989 1.00 10.00 H new ATOM 0 HA ARG A 44 5.668 -6.686 -1.231 1.00 10.00 H new ATOM 0 HB2 ARG A 44 3.221 -5.505 -1.355 1.00 10.00 H new ATOM 0 HB3 ARG A 44 4.205 -4.204 -1.995 1.00 10.00 H new ATOM 0 HG2 ARG A 44 4.345 -7.030 -3.094 1.00 10.00 H new ATOM 0 HG3 ARG A 44 3.175 -5.860 -3.672 1.00 10.00 H new ATOM 0 HD2 ARG A 44 4.772 -4.598 -4.804 1.00 10.00 H new ATOM 0 HD3 ARG A 44 6.049 -4.975 -3.664 1.00 10.00 H new ATOM 0 HE ARG A 44 5.219 -7.354 -5.101 1.00 10.00 H new ATOM 0 HH11 ARG A 44 7.255 -4.459 -5.341 1.00 10.00 H new ATOM 0 HH12 ARG A 44 8.259 -5.150 -6.619 1.00 10.00 H new ATOM 0 HH21 ARG A 44 6.496 -8.193 -6.748 1.00 10.00 H new ATOM 0 HH22 ARG A 44 7.834 -7.248 -7.410 1.00 10.00 H new ATOM 649 N VAL A 45 7.555 -5.074 -1.668 1.00 10.00 N ATOM 650 CA VAL A 45 8.687 -4.164 -1.814 1.00 10.00 C ATOM 651 C VAL A 45 8.459 -3.215 -2.987 1.00 10.00 C ATOM 652 O VAL A 45 7.877 -3.588 -4.000 1.00 10.00 O ATOM 653 CB VAL A 45 10.033 -4.925 -1.967 1.00 10.00 C ATOM 654 CG1 VAL A 45 9.865 -6.147 -2.842 1.00 10.00 C ATOM 655 CG2 VAL A 45 11.139 -4.025 -2.524 1.00 10.00 C ATOM 0 H VAL A 45 7.687 -5.994 -2.089 1.00 10.00 H new ATOM 0 HA VAL A 45 8.757 -3.577 -0.898 1.00 10.00 H new ATOM 0 HB VAL A 45 10.334 -5.244 -0.969 1.00 10.00 H new ATOM 0 HG11 VAL A 45 10.821 -6.663 -2.934 1.00 10.00 H new ATOM 0 HG12 VAL A 45 9.132 -6.818 -2.393 1.00 10.00 H new ATOM 0 HG13 VAL A 45 9.521 -5.842 -3.830 1.00 10.00 H new ATOM 0 HG21 VAL A 45 12.062 -4.597 -2.615 1.00 10.00 H new ATOM 0 HG22 VAL A 45 10.845 -3.652 -3.505 1.00 10.00 H new ATOM 0 HG23 VAL A 45 11.298 -3.184 -1.849 1.00 10.00 H new ATOM 665 N ILE A 46 8.886 -1.979 -2.820 1.00 10.00 N ATOM 666 CA ILE A 46 8.716 -0.962 -3.815 1.00 10.00 C ATOM 667 C ILE A 46 10.007 -0.756 -4.567 1.00 10.00 C ATOM 668 O ILE A 46 11.098 -0.907 -4.017 1.00 10.00 O ATOM 669 CB ILE A 46 8.310 0.373 -3.155 1.00 10.00 C ATOM 670 CG1 ILE A 46 7.191 1.059 -3.915 1.00 10.00 C ATOM 671 CG2 ILE A 46 9.501 1.292 -3.015 1.00 10.00 C ATOM 672 CD1 ILE A 46 5.827 0.505 -3.569 1.00 10.00 C ATOM 0 H ILE A 46 9.364 -1.659 -1.978 1.00 10.00 H new ATOM 0 HA ILE A 46 7.932 -1.283 -4.501 1.00 10.00 H new ATOM 0 HB ILE A 46 7.936 0.140 -2.158 1.00 10.00 H new ATOM 0 HG12 ILE A 46 7.211 2.127 -3.698 1.00 10.00 H new ATOM 0 HG13 ILE A 46 7.363 0.948 -4.986 1.00 10.00 H new ATOM 0 HG21 ILE A 46 9.187 2.225 -2.547 1.00 10.00 H new ATOM 0 HG22 ILE A 46 10.260 0.813 -2.396 1.00 10.00 H new ATOM 0 HG23 ILE A 46 9.916 1.502 -4.001 1.00 10.00 H new ATOM 0 HD11 ILE A 46 5.064 1.032 -4.142 1.00 10.00 H new ATOM 0 HD12 ILE A 46 5.793 -0.557 -3.812 1.00 10.00 H new ATOM 0 HD13 ILE A 46 5.639 0.640 -2.504 1.00 10.00 H new ATOM 684 N GLU A 47 9.878 -0.439 -5.819 1.00 10.00 N ATOM 685 CA GLU A 47 11.003 0.002 -6.590 1.00 10.00 C ATOM 686 C GLU A 47 11.138 1.508 -6.416 1.00 10.00 C ATOM 687 O GLU A 47 10.135 2.187 -6.225 1.00 10.00 O ATOM 688 CB GLU A 47 10.809 -0.417 -8.042 1.00 10.00 C ATOM 689 CG GLU A 47 10.438 -1.884 -8.131 1.00 10.00 C ATOM 690 CD GLU A 47 10.476 -2.426 -9.542 1.00 10.00 C ATOM 691 OE1 GLU A 47 11.541 -2.330 -10.190 1.00 10.00 O ATOM 692 OE2 GLU A 47 9.450 -2.968 -9.998 1.00 10.00 O ATOM 0 H GLU A 47 8.998 -0.478 -6.333 1.00 10.00 H new ATOM 0 HA GLU A 47 11.932 -0.457 -6.251 1.00 10.00 H new ATOM 0 HB2 GLU A 47 10.027 0.189 -8.499 1.00 10.00 H new ATOM 0 HB3 GLU A 47 11.725 -0.234 -8.604 1.00 10.00 H new ATOM 0 HG2 GLU A 47 11.120 -2.463 -7.508 1.00 10.00 H new ATOM 0 HG3 GLU A 47 9.437 -2.024 -7.722 1.00 10.00 H new ATOM 699 N PRO A 48 12.369 2.025 -6.361 1.00 10.00 N ATOM 700 CA PRO A 48 12.640 3.460 -6.306 1.00 10.00 C ATOM 701 C PRO A 48 11.748 4.285 -7.228 1.00 10.00 C ATOM 702 O PRO A 48 12.027 4.418 -8.418 1.00 10.00 O ATOM 703 CB PRO A 48 14.089 3.560 -6.774 1.00 10.00 C ATOM 704 CG PRO A 48 14.713 2.236 -6.482 1.00 10.00 C ATOM 705 CD PRO A 48 13.599 1.234 -6.287 1.00 10.00 C ATOM 0 HA PRO A 48 12.451 3.855 -5.308 1.00 10.00 H new ATOM 0 HB2 PRO A 48 14.139 3.788 -7.839 1.00 10.00 H new ATOM 0 HB3 PRO A 48 14.612 4.361 -6.252 1.00 10.00 H new ATOM 0 HG2 PRO A 48 15.362 1.930 -7.302 1.00 10.00 H new ATOM 0 HG3 PRO A 48 15.334 2.295 -5.588 1.00 10.00 H new ATOM 0 HD2 PRO A 48 13.621 0.463 -7.057 1.00 10.00 H new ATOM 0 HD3 PRO A 48 13.686 0.727 -5.326 1.00 10.00 H new ATOM 713 N GLY A 49 10.661 4.815 -6.684 1.00 10.00 N ATOM 714 CA GLY A 49 9.795 5.662 -7.481 1.00 10.00 C ATOM 715 C GLY A 49 8.641 4.894 -8.078 1.00 10.00 C ATOM 716 O GLY A 49 7.877 5.422 -8.886 1.00 10.00 O ATOM 0 H GLY A 49 10.365 4.677 -5.718 1.00 10.00 H new ATOM 0 HA2 GLY A 49 9.409 6.471 -6.861 1.00 10.00 H new ATOM 0 HA3 GLY A 49 10.375 6.123 -8.280 1.00 10.00 H new ATOM 720 N GLY A 50 8.517 3.639 -7.679 1.00 10.00 N ATOM 721 CA GLY A 50 7.482 2.791 -8.202 1.00 10.00 C ATOM 722 C GLY A 50 6.210 2.844 -7.395 1.00 10.00 C ATOM 723 O GLY A 50 6.091 3.614 -6.439 1.00 10.00 O ATOM 0 H GLY A 50 9.126 3.193 -6.993 1.00 10.00 H new ATOM 0 HA2 GLY A 50 7.266 3.083 -9.230 1.00 10.00 H new ATOM 0 HA3 GLY A 50 7.843 1.763 -8.232 1.00 10.00 H new ATOM 727 N TRP A 51 5.274 1.994 -7.775 1.00 10.00 N ATOM 728 CA TRP A 51 3.978 1.923 -7.134 1.00 10.00 C ATOM 729 C TRP A 51 3.734 0.545 -6.549 1.00 10.00 C ATOM 730 O TRP A 51 4.455 -0.412 -6.839 1.00 10.00 O ATOM 731 CB TRP A 51 2.864 2.237 -8.133 1.00 10.00 C ATOM 732 CG TRP A 51 2.520 3.691 -8.256 1.00 10.00 C ATOM 733 CD1 TRP A 51 3.274 4.758 -7.876 1.00 10.00 C ATOM 734 CD2 TRP A 51 1.313 4.231 -8.800 1.00 10.00 C ATOM 735 NE1 TRP A 51 2.606 5.924 -8.161 1.00 10.00 N ATOM 736 CE2 TRP A 51 1.404 5.626 -8.724 1.00 10.00 C ATOM 737 CE3 TRP A 51 0.169 3.667 -9.349 1.00 10.00 C ATOM 738 CZ2 TRP A 51 0.392 6.465 -9.176 1.00 10.00 C ATOM 739 CZ3 TRP A 51 -0.843 4.498 -9.795 1.00 10.00 C ATOM 740 CH2 TRP A 51 -0.723 5.886 -9.707 1.00 10.00 C ATOM 0 H TRP A 51 5.394 1.331 -8.541 1.00 10.00 H new ATOM 0 HA TRP A 51 3.971 2.661 -6.332 1.00 10.00 H new ATOM 0 HB2 TRP A 51 3.159 1.864 -9.114 1.00 10.00 H new ATOM 0 HB3 TRP A 51 1.968 1.690 -7.840 1.00 10.00 H new ATOM 0 HD1 TRP A 51 4.251 4.697 -7.419 1.00 10.00 H new ATOM 0 HE1 TRP A 51 2.956 6.865 -7.979 1.00 10.00 H new ATOM 0 HE3 TRP A 51 0.071 2.594 -9.427 1.00 10.00 H new ATOM 0 HZ2 TRP A 51 0.485 7.539 -9.109 1.00 10.00 H new ATOM 0 HZ3 TRP A 51 -1.739 4.067 -10.217 1.00 10.00 H new ATOM 0 HH2 TRP A 51 -1.527 6.512 -10.065 1.00 10.00 H new ATOM 751 N ALA A 52 2.705 0.466 -5.730 1.00 10.00 N ATOM 752 CA ALA A 52 2.218 -0.790 -5.214 1.00 10.00 C ATOM 753 C ALA A 52 0.716 -0.678 -5.068 1.00 10.00 C ATOM 754 O ALA A 52 0.214 0.105 -4.268 1.00 10.00 O ATOM 755 CB ALA A 52 2.891 -1.144 -3.887 1.00 10.00 C ATOM 0 H ALA A 52 2.182 1.279 -5.404 1.00 10.00 H new ATOM 0 HA ALA A 52 2.462 -1.599 -5.902 1.00 10.00 H new ATOM 0 HB1 ALA A 52 2.502 -2.096 -3.524 1.00 10.00 H new ATOM 0 HB2 ALA A 52 3.968 -1.225 -4.035 1.00 10.00 H new ATOM 0 HB3 ALA A 52 2.683 -0.364 -3.154 1.00 10.00 H new ATOM 761 N THR A 53 0.011 -1.414 -5.900 1.00 10.00 N ATOM 762 CA THR A 53 -1.435 -1.371 -5.937 1.00 10.00 C ATOM 763 C THR A 53 -2.006 -2.161 -4.785 1.00 10.00 C ATOM 764 O THR A 53 -1.619 -3.304 -4.548 1.00 10.00 O ATOM 765 CB THR A 53 -1.948 -1.965 -7.262 1.00 10.00 C ATOM 766 OG1 THR A 53 -1.362 -1.280 -8.376 1.00 10.00 O ATOM 767 CG2 THR A 53 -3.465 -1.892 -7.352 1.00 10.00 C ATOM 0 H THR A 53 0.425 -2.061 -6.571 1.00 10.00 H new ATOM 0 HA THR A 53 -1.754 -0.332 -5.858 1.00 10.00 H new ATOM 0 HB THR A 53 -1.654 -3.014 -7.289 1.00 10.00 H new ATOM 0 HG1 THR A 53 -2.034 -0.704 -8.796 1.00 10.00 H new ATOM 0 HG21 THR A 53 -3.794 -2.319 -8.299 1.00 10.00 H new ATOM 0 HG22 THR A 53 -3.906 -2.453 -6.528 1.00 10.00 H new ATOM 0 HG23 THR A 53 -3.783 -0.851 -7.294 1.00 10.00 H new ATOM 775 N PHE A 54 -2.929 -1.552 -4.066 1.00 10.00 N ATOM 776 CA PHE A 54 -3.534 -2.213 -2.936 1.00 10.00 C ATOM 777 C PHE A 54 -5.018 -1.944 -2.957 1.00 10.00 C ATOM 778 O PHE A 54 -5.438 -0.820 -3.236 1.00 10.00 O ATOM 779 CB PHE A 54 -2.891 -1.760 -1.612 1.00 10.00 C ATOM 780 CG PHE A 54 -1.449 -2.175 -1.483 1.00 10.00 C ATOM 781 CD1 PHE A 54 -1.092 -3.519 -1.518 1.00 10.00 C ATOM 782 CD2 PHE A 54 -0.450 -1.229 -1.331 1.00 10.00 C ATOM 783 CE1 PHE A 54 0.226 -3.903 -1.404 1.00 10.00 C ATOM 784 CE2 PHE A 54 0.869 -1.615 -1.217 1.00 10.00 C ATOM 785 CZ PHE A 54 1.209 -2.951 -1.254 1.00 10.00 C ATOM 0 H PHE A 54 -3.271 -0.608 -4.245 1.00 10.00 H new ATOM 0 HA PHE A 54 -3.365 -3.287 -3.008 1.00 10.00 H new ATOM 0 HB2 PHE A 54 -2.959 -0.675 -1.535 1.00 10.00 H new ATOM 0 HB3 PHE A 54 -3.458 -2.175 -0.779 1.00 10.00 H new ATOM 0 HD1 PHE A 54 -1.858 -4.271 -1.636 1.00 10.00 H new ATOM 0 HD2 PHE A 54 -0.706 -0.180 -1.301 1.00 10.00 H new ATOM 0 HE1 PHE A 54 0.488 -4.950 -1.432 1.00 10.00 H new ATOM 0 HE2 PHE A 54 1.639 -0.867 -1.098 1.00 10.00 H new ATOM 0 HZ PHE A 54 2.243 -3.249 -1.166 1.00 10.00 H new ATOM 795 N ALA A 55 -5.795 -2.997 -2.731 1.00 10.00 N ATOM 796 CA ALA A 55 -7.244 -2.915 -2.786 1.00 10.00 C ATOM 797 C ALA A 55 -7.739 -1.781 -1.915 1.00 10.00 C ATOM 798 O ALA A 55 -7.714 -1.864 -0.686 1.00 10.00 O ATOM 799 CB ALA A 55 -7.867 -4.245 -2.364 1.00 10.00 C ATOM 0 H ALA A 55 -5.438 -3.925 -2.506 1.00 10.00 H new ATOM 0 HA ALA A 55 -7.547 -2.710 -3.813 1.00 10.00 H new ATOM 0 HB1 ALA A 55 -8.953 -4.169 -2.410 1.00 10.00 H new ATOM 0 HB2 ALA A 55 -7.530 -5.034 -3.036 1.00 10.00 H new ATOM 0 HB3 ALA A 55 -7.563 -4.482 -1.345 1.00 10.00 H new ATOM 805 N GLY A 56 -8.141 -0.706 -2.575 1.00 10.00 N ATOM 806 CA GLY A 56 -8.603 0.465 -1.881 1.00 10.00 C ATOM 807 C GLY A 56 -9.905 0.226 -1.138 1.00 10.00 C ATOM 808 O GLY A 56 -10.271 -0.915 -0.846 1.00 10.00 O ATOM 0 H GLY A 56 -8.153 -0.629 -3.592 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -7.839 0.789 -1.174 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -8.740 1.276 -2.596 1.00 10.00 H new ATOM 812 N TYR A 57 -10.627 1.291 -0.863 1.00 10.00 N ATOM 813 CA TYR A 57 -11.844 1.201 -0.074 1.00 10.00 C ATOM 814 C TYR A 57 -13.048 0.804 -0.927 1.00 10.00 C ATOM 815 O TYR A 57 -14.155 1.301 -0.724 1.00 10.00 O ATOM 816 CB TYR A 57 -12.100 2.538 0.618 1.00 10.00 C ATOM 817 CG TYR A 57 -12.107 3.737 -0.323 1.00 10.00 C ATOM 818 CD1 TYR A 57 -10.918 4.341 -0.738 1.00 10.00 C ATOM 819 CD2 TYR A 57 -13.304 4.259 -0.805 1.00 10.00 C ATOM 820 CE1 TYR A 57 -10.930 5.418 -1.605 1.00 10.00 C ATOM 821 CE2 TYR A 57 -13.317 5.337 -1.669 1.00 10.00 C ATOM 822 CZ TYR A 57 -12.131 5.909 -2.065 1.00 10.00 C ATOM 823 OH TYR A 57 -12.139 6.972 -2.936 1.00 10.00 O ATOM 0 H TYR A 57 -10.394 2.234 -1.174 1.00 10.00 H new ATOM 0 HA TYR A 57 -11.708 0.419 0.673 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -13.059 2.490 1.134 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -11.336 2.692 1.380 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -9.974 3.961 -0.376 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -14.239 3.814 -0.498 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -10.002 5.872 -1.920 1.00 10.00 H new ATOM 0 HE2 TYR A 57 -14.256 5.729 -2.032 1.00 10.00 H new ATOM 0 HH TYR A 57 -13.064 7.198 -3.167 1.00 10.00 H new ATOM 887 N TYR A 63 -10.466 -1.211 2.767 1.00 10.00 N ATOM 888 CA TYR A 63 -9.943 0.148 2.807 1.00 10.00 C ATOM 889 C TYR A 63 -8.603 0.115 3.512 1.00 10.00 C ATOM 890 O TYR A 63 -8.538 -0.210 4.691 1.00 10.00 O ATOM 891 CB TYR A 63 -10.883 1.110 3.551 1.00 10.00 C ATOM 892 CG TYR A 63 -10.341 2.520 3.702 1.00 10.00 C ATOM 893 CD1 TYR A 63 -9.727 3.174 2.637 1.00 10.00 C ATOM 894 CD2 TYR A 63 -10.445 3.197 4.909 1.00 10.00 C ATOM 895 CE1 TYR A 63 -9.234 4.458 2.772 1.00 10.00 C ATOM 896 CE2 TYR A 63 -9.956 4.483 5.050 1.00 10.00 C ATOM 897 CZ TYR A 63 -9.352 5.107 3.980 1.00 10.00 C ATOM 898 OH TYR A 63 -8.871 6.391 4.114 1.00 10.00 O ATOM 0 HA TYR A 63 -9.848 0.513 1.784 1.00 10.00 H new ATOM 0 HB2 TYR A 63 -11.834 1.154 3.020 1.00 10.00 H new ATOM 0 HB3 TYR A 63 -11.089 0.704 4.541 1.00 10.00 H new ATOM 0 HD1 TYR A 63 -9.634 2.668 1.687 1.00 10.00 H new ATOM 0 HD2 TYR A 63 -10.915 2.712 5.752 1.00 10.00 H new ATOM 0 HE1 TYR A 63 -8.759 4.949 1.935 1.00 10.00 H new ATOM 0 HE2 TYR A 63 -10.047 4.997 5.996 1.00 10.00 H new ATOM 0 HH TYR A 63 -9.033 6.707 5.027 1.00 10.00 H new ATOM 908 N VAL A 64 -7.533 0.387 2.794 1.00 10.00 N ATOM 909 CA VAL A 64 -6.237 0.506 3.423 1.00 10.00 C ATOM 910 C VAL A 64 -6.258 1.734 4.322 1.00 10.00 C ATOM 911 O VAL A 64 -6.705 2.806 3.912 1.00 10.00 O ATOM 912 CB VAL A 64 -5.085 0.586 2.384 1.00 10.00 C ATOM 913 CG1 VAL A 64 -5.620 0.356 0.970 1.00 10.00 C ATOM 914 CG2 VAL A 64 -4.344 1.914 2.473 1.00 10.00 C ATOM 0 H VAL A 64 -7.535 0.528 1.784 1.00 10.00 H new ATOM 0 HA VAL A 64 -6.042 -0.388 4.015 1.00 10.00 H new ATOM 0 HB VAL A 64 -4.371 -0.204 2.617 1.00 10.00 H new ATOM 0 HG11 VAL A 64 -4.799 0.416 0.256 1.00 10.00 H new ATOM 0 HG12 VAL A 64 -6.081 -0.630 0.911 1.00 10.00 H new ATOM 0 HG13 VAL A 64 -6.363 1.118 0.733 1.00 10.00 H new ATOM 0 HG21 VAL A 64 -3.545 1.935 1.732 1.00 10.00 H new ATOM 0 HG22 VAL A 64 -5.039 2.732 2.281 1.00 10.00 H new ATOM 0 HG23 VAL A 64 -3.918 2.027 3.470 1.00 10.00 H new ATOM 924 N THR A 65 -5.832 1.573 5.560 1.00 10.00 N ATOM 925 CA THR A 65 -5.887 2.674 6.493 1.00 10.00 C ATOM 926 C THR A 65 -4.501 3.137 6.879 1.00 10.00 C ATOM 927 O THR A 65 -4.260 4.336 7.037 1.00 10.00 O ATOM 928 CB THR A 65 -6.690 2.313 7.768 1.00 10.00 C ATOM 929 OG1 THR A 65 -6.086 1.194 8.436 1.00 10.00 O ATOM 930 CG2 THR A 65 -8.135 1.966 7.441 1.00 10.00 C ATOM 0 H THR A 65 -5.451 0.705 5.936 1.00 10.00 H new ATOM 0 HA THR A 65 -6.403 3.487 5.983 1.00 10.00 H new ATOM 0 HB THR A 65 -6.678 3.189 8.416 1.00 10.00 H new ATOM 0 HG1 THR A 65 -5.865 0.501 7.779 1.00 10.00 H new ATOM 0 HG21 THR A 65 -8.667 1.718 8.360 1.00 10.00 H new ATOM 0 HG22 THR A 65 -8.615 2.820 6.963 1.00 10.00 H new ATOM 0 HG23 THR A 65 -8.160 1.111 6.766 1.00 10.00 H new ATOM 938 N GLY A 66 -3.591 2.195 7.017 1.00 10.00 N ATOM 939 CA GLY A 66 -2.248 2.547 7.400 1.00 10.00 C ATOM 940 C GLY A 66 -1.211 1.749 6.660 1.00 10.00 C ATOM 941 O GLY A 66 -1.361 0.543 6.468 1.00 10.00 O ATOM 0 H GLY A 66 -3.756 1.199 6.872 1.00 10.00 H new ATOM 0 HA2 GLY A 66 -2.087 3.609 7.213 1.00 10.00 H new ATOM 0 HA3 GLY A 66 -2.126 2.390 8.472 1.00 10.00 H new ATOM 945 N LEU A 67 -0.173 2.428 6.225 1.00 10.00 N ATOM 946 CA LEU A 67 0.977 1.765 5.651 1.00 10.00 C ATOM 947 C LEU A 67 1.931 1.380 6.773 1.00 10.00 C ATOM 948 O LEU A 67 1.958 2.010 7.828 1.00 10.00 O ATOM 949 CB LEU A 67 1.676 2.660 4.609 1.00 10.00 C ATOM 950 CG LEU A 67 1.309 2.400 3.145 1.00 10.00 C ATOM 951 CD1 LEU A 67 1.655 3.598 2.301 1.00 10.00 C ATOM 952 CD2 LEU A 67 2.058 1.211 2.593 1.00 10.00 C ATOM 0 H LEU A 67 -0.102 3.445 6.258 1.00 10.00 H new ATOM 0 HA LEU A 67 0.651 0.866 5.128 1.00 10.00 H new ATOM 0 HB2 LEU A 67 1.447 3.700 4.841 1.00 10.00 H new ATOM 0 HB3 LEU A 67 2.754 2.539 4.720 1.00 10.00 H new ATOM 0 HG LEU A 67 0.238 2.203 3.112 1.00 10.00 H new ATOM 0 HD11 LEU A 67 1.389 3.400 1.263 1.00 10.00 H new ATOM 0 HD12 LEU A 67 1.102 4.467 2.658 1.00 10.00 H new ATOM 0 HD13 LEU A 67 2.725 3.795 2.371 1.00 10.00 H new ATOM 0 HD21 LEU A 67 1.775 1.054 1.552 1.00 10.00 H new ATOM 0 HD22 LEU A 67 3.130 1.397 2.653 1.00 10.00 H new ATOM 0 HD23 LEU A 67 1.810 0.323 3.175 1.00 10.00 H new ATOM 964 N HIS A 68 2.683 0.337 6.543 1.00 10.00 N ATOM 965 CA HIS A 68 3.625 -0.197 7.511 1.00 10.00 C ATOM 966 C HIS A 68 4.901 -0.575 6.775 1.00 10.00 C ATOM 967 O HIS A 68 4.829 -0.951 5.613 1.00 10.00 O ATOM 968 CB HIS A 68 3.021 -1.438 8.181 1.00 10.00 C ATOM 969 CG HIS A 68 2.138 -1.154 9.357 1.00 10.00 C ATOM 970 ND1 HIS A 68 2.408 -1.618 10.625 1.00 10.00 N ATOM 971 CD2 HIS A 68 0.977 -0.464 9.453 1.00 10.00 C ATOM 972 CE1 HIS A 68 1.453 -1.228 11.445 1.00 10.00 C ATOM 973 NE2 HIS A 68 0.572 -0.528 10.760 1.00 10.00 N ATOM 0 H HIS A 68 2.664 -0.180 5.664 1.00 10.00 H new ATOM 0 HA HIS A 68 3.844 0.545 8.279 1.00 10.00 H new ATOM 0 HB2 HIS A 68 2.445 -1.990 7.438 1.00 10.00 H new ATOM 0 HB3 HIS A 68 3.833 -2.090 8.504 1.00 10.00 H new ATOM 0 HD2 HIS A 68 0.465 0.043 8.648 1.00 10.00 H new ATOM 0 HE1 HIS A 68 1.401 -1.446 12.502 1.00 10.00 H new ATOM 0 HE2 HIS A 68 -0.274 -0.103 11.141 1.00 10.00 H new ATOM 982 N THR A 69 6.066 -0.442 7.380 1.00 10.00 N ATOM 983 CA THR A 69 7.273 -0.839 6.675 1.00 10.00 C ATOM 984 C THR A 69 7.510 -2.335 6.829 1.00 10.00 C ATOM 985 O THR A 69 7.566 -2.866 7.940 1.00 10.00 O ATOM 986 CB THR A 69 8.509 -0.051 7.126 1.00 10.00 C ATOM 987 OG1 THR A 69 8.115 1.012 8.006 1.00 10.00 O ATOM 988 CG2 THR A 69 9.236 0.532 5.916 1.00 10.00 C ATOM 0 H THR A 69 6.204 -0.077 8.322 1.00 10.00 H new ATOM 0 HA THR A 69 7.116 -0.605 5.622 1.00 10.00 H new ATOM 0 HB THR A 69 9.182 -0.728 7.652 1.00 10.00 H new ATOM 0 HG1 THR A 69 8.909 1.511 8.292 1.00 10.00 H new ATOM 0 HG21 THR A 69 10.111 1.089 6.251 1.00 10.00 H new ATOM 0 HG22 THR A 69 9.551 -0.277 5.256 1.00 10.00 H new ATOM 0 HG23 THR A 69 8.565 1.201 5.376 1.00 10.00 H new ATOM 996 N CYS A 70 7.626 -3.004 5.700 1.00 10.00 N ATOM 997 CA CYS A 70 7.753 -4.448 5.662 1.00 10.00 C ATOM 998 C CYS A 70 9.230 -4.838 5.665 1.00 10.00 C ATOM 999 O CYS A 70 10.085 -4.018 5.324 1.00 10.00 O ATOM 1000 CB CYS A 70 7.053 -4.995 4.413 1.00 10.00 C ATOM 1001 SG CYS A 70 7.178 -6.804 4.197 1.00 10.00 S ATOM 0 H CYS A 70 7.635 -2.562 4.781 1.00 10.00 H new ATOM 0 HA CYS A 70 7.279 -4.878 6.544 1.00 10.00 H new ATOM 0 HB2 CYS A 70 5.999 -4.720 4.454 1.00 10.00 H new ATOM 0 HB3 CYS A 70 7.475 -4.508 3.534 1.00 10.00 H new ATOM 1006 N ASP A 71 9.541 -6.065 6.065 1.00 10.00 N ATOM 1007 CA ASP A 71 10.906 -6.556 5.976 1.00 10.00 C ATOM 1008 C ASP A 71 11.040 -7.490 4.782 1.00 10.00 C ATOM 1009 O ASP A 71 10.116 -8.240 4.487 1.00 10.00 O ATOM 1010 CB ASP A 71 11.339 -7.276 7.256 1.00 10.00 C ATOM 1011 CG ASP A 71 10.503 -8.499 7.580 1.00 10.00 C ATOM 1012 OD1 ASP A 71 9.300 -8.348 7.887 1.00 10.00 O ATOM 1013 OD2 ASP A 71 11.063 -9.615 7.568 1.00 10.00 O ATOM 0 H ASP A 71 8.872 -6.731 6.450 1.00 10.00 H new ATOM 0 HA ASP A 71 11.562 -5.695 5.846 1.00 10.00 H new ATOM 0 HB2 ASP A 71 12.382 -7.576 7.159 1.00 10.00 H new ATOM 0 HB3 ASP A 71 11.284 -6.578 8.091 1.00 10.00 H new