USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 547 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 CYS SG : rot 180:sc= 0.309 USER MOD Set 1.2: A 21 LYS NZ :NH3+ 151:sc= 1.96 (180deg=1.17) USER MOD Set 1.3: A 65 TYR OH : rot -19:sc= 0.743 USER MOD Single : A 2 SER OG : rot 25:sc= 0.19 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= -0.166 USER MOD Single : A 7 SER OG : rot -135:sc= 0.23 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -170:sc= -2.35 (180deg=-2.64!) USER MOD Single : A 15 CYS SG : rot 73:sc= 0.75 USER MOD Single : A 24 ASN : amide:sc= 1.08 K(o=1.1,f=-5.4!) USER MOD Single : A 28 GLN : amide:sc= 0.0566 X(o=0.057,f=-0.098) USER MOD Single : A 33 ASN : amide:sc= 0.46 K(o=0.46,f=-0.63) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 36 GLN : amide:sc= 1.15 K(o=1.1,f=-0.12) USER MOD Single : A 41 THR OG1 : rot -140:sc= 0.00601 USER MOD Single : A 43 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.288) USER MOD Single : A 50 ASN : amide:sc= -1.57 X(o=-1.6,f=-1.1) USER MOD Single : A 55 GLN : amide:sc= -0.0241 X(o=-0.024,f=-0.4) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 1.04 K(o=1,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -9.305 6.984 -16.481 1.00 3.35 N ATOM 2 CA SER A 2 -7.955 7.408 -16.831 1.00 2.48 C ATOM 3 C SER A 2 -6.973 6.644 -15.942 1.00 1.75 C ATOM 4 O SER A 2 -6.249 5.774 -16.415 1.00 2.36 O ATOM 5 CB SER A 2 -7.818 8.927 -16.677 1.00 3.38 C ATOM 6 OG SER A 2 -8.839 9.558 -17.425 1.00 4.47 O ATOM 0 HA SER A 2 -7.735 7.181 -17.874 1.00 2.48 H new ATOM 0 HB2 SER A 2 -7.893 9.207 -15.626 1.00 3.38 H new ATOM 0 HB3 SER A 2 -6.838 9.254 -17.026 1.00 3.38 H new ATOM 0 HG SER A 2 -9.594 8.942 -17.532 1.00 4.47 H new ATOM 12 N GLY A 3 -6.999 6.939 -14.641 1.00 1.53 N ATOM 13 CA GLY A 3 -6.124 6.298 -13.677 1.00 1.00 C ATOM 14 C GLY A 3 -6.582 4.885 -13.342 1.00 0.91 C ATOM 15 O GLY A 3 -7.708 4.489 -13.684 1.00 1.15 O ATOM 0 H GLY A 3 -7.629 7.630 -14.233 1.00 1.53 H new ATOM 0 HA2 GLY A 3 -5.109 6.266 -14.074 1.00 1.00 H new ATOM 0 HA3 GLY A 3 -6.091 6.894 -12.765 1.00 1.00 H new ATOM 19 N THR A 4 -5.700 4.157 -12.647 1.00 0.72 N ATOM 20 CA THR A 4 -5.892 2.776 -12.245 1.00 0.50 C ATOM 21 C THR A 4 -5.711 2.604 -10.747 1.00 0.42 C ATOM 22 O THR A 4 -4.850 3.219 -10.117 1.00 0.52 O ATOM 23 CB THR A 4 -4.941 1.864 -13.025 1.00 0.54 C ATOM 24 OG1 THR A 4 -5.422 1.844 -14.333 1.00 1.28 O ATOM 25 CG2 THR A 4 -4.997 0.398 -12.575 1.00 0.87 C ATOM 0 H THR A 4 -4.803 4.536 -12.343 1.00 0.72 H new ATOM 0 HA THR A 4 -6.917 2.491 -12.480 1.00 0.50 H new ATOM 0 HB THR A 4 -3.928 2.242 -12.888 1.00 0.54 H new ATOM 0 HG1 THR A 4 -4.847 1.273 -14.884 1.00 1.28 H new ATOM 0 HG21 THR A 4 -4.299 -0.192 -13.169 1.00 0.87 H new ATOM 0 HG22 THR A 4 -4.725 0.330 -11.522 1.00 0.87 H new ATOM 0 HG23 THR A 4 -6.007 0.013 -12.714 1.00 0.87 H new ATOM 33 N ARG A 5 -6.536 1.698 -10.229 1.00 0.34 N ATOM 34 CA ARG A 5 -6.561 1.259 -8.860 1.00 0.34 C ATOM 35 C ARG A 5 -5.789 -0.054 -8.769 1.00 0.35 C ATOM 36 O ARG A 5 -5.931 -0.931 -9.615 1.00 0.67 O ATOM 37 CB ARG A 5 -8.021 1.032 -8.473 1.00 0.60 C ATOM 38 CG ARG A 5 -8.150 0.579 -7.019 1.00 0.82 C ATOM 39 CD ARG A 5 -9.584 0.139 -6.743 1.00 1.24 C ATOM 40 NE ARG A 5 -9.652 -0.708 -5.543 1.00 2.86 N ATOM 41 CZ ARG A 5 -10.764 -1.328 -5.120 1.00 3.80 C ATOM 42 NH1 ARG A 5 -11.942 -1.009 -5.668 1.00 3.26 N ATOM 43 NH2 ARG A 5 -10.696 -2.257 -4.158 1.00 5.68 N ATOM 0 H ARG A 5 -7.242 1.230 -10.798 1.00 0.34 H new ATOM 0 HA ARG A 5 -6.110 1.994 -8.193 1.00 0.34 H new ATOM 0 HB2 ARG A 5 -8.585 1.953 -8.620 1.00 0.60 H new ATOM 0 HB3 ARG A 5 -8.460 0.281 -9.130 1.00 0.60 H new ATOM 0 HG2 ARG A 5 -7.463 -0.244 -6.822 1.00 0.82 H new ATOM 0 HG3 ARG A 5 -7.874 1.393 -6.349 1.00 0.82 H new ATOM 0 HD2 ARG A 5 -10.218 1.015 -6.611 1.00 1.24 H new ATOM 0 HD3 ARG A 5 -9.972 -0.409 -7.602 1.00 1.24 H new ATOM 0 HE ARG A 5 -8.799 -0.832 -4.997 1.00 2.86 H new ATOM 0 HH11 ARG A 5 -11.989 -0.300 -6.400 1.00 3.26 H new ATOM 0 HH12 ARG A 5 -12.793 -1.474 -5.354 1.00 3.26 H new ATOM 0 HH21 ARG A 5 -9.796 -2.496 -3.743 1.00 5.68 H new ATOM 0 HH22 ARG A 5 -11.545 -2.725 -3.840 1.00 5.68 H new ATOM 57 N TYR A 6 -4.999 -0.157 -7.714 1.00 0.24 N ATOM 58 CA TYR A 6 -4.341 -1.349 -7.196 1.00 0.26 C ATOM 59 C TYR A 6 -4.835 -1.662 -5.789 1.00 0.22 C ATOM 60 O TYR A 6 -4.899 -0.748 -4.973 1.00 0.35 O ATOM 61 CB TYR A 6 -2.835 -1.158 -7.271 1.00 0.32 C ATOM 62 CG TYR A 6 -2.395 -0.601 -8.603 1.00 0.41 C ATOM 63 CD1 TYR A 6 -2.661 -1.349 -9.763 1.00 1.49 C ATOM 64 CD2 TYR A 6 -2.059 0.756 -8.724 1.00 1.88 C ATOM 65 CE1 TYR A 6 -2.366 -0.825 -11.027 1.00 1.47 C ATOM 66 CE2 TYR A 6 -1.992 1.335 -9.999 1.00 1.98 C ATOM 67 CZ TYR A 6 -2.029 0.531 -11.145 1.00 0.69 C ATOM 68 OH TYR A 6 -1.845 1.091 -12.370 1.00 0.90 O ATOM 0 H TYR A 6 -4.781 0.662 -7.147 1.00 0.24 H new ATOM 0 HA TYR A 6 -4.594 -2.217 -7.805 1.00 0.26 H new ATOM 0 HB2 TYR A 6 -2.516 -0.485 -6.475 1.00 0.32 H new ATOM 0 HB3 TYR A 6 -2.340 -2.114 -7.098 1.00 0.32 H new ATOM 0 HD1 TYR A 6 -3.096 -2.334 -9.678 1.00 1.49 H new ATOM 0 HD2 TYR A 6 -1.854 1.348 -7.844 1.00 1.88 H new ATOM 0 HE1 TYR A 6 -2.398 -1.458 -11.902 1.00 1.47 H new ATOM 0 HE2 TYR A 6 -1.911 2.407 -10.098 1.00 1.98 H new ATOM 0 HH TYR A 6 -1.618 2.039 -12.266 1.00 0.90 H new ATOM 78 N SER A 7 -5.197 -2.923 -5.512 1.00 0.25 N ATOM 79 CA SER A 7 -5.623 -3.407 -4.198 1.00 0.29 C ATOM 80 C SER A 7 -4.583 -4.402 -3.660 1.00 0.28 C ATOM 81 O SER A 7 -3.899 -5.049 -4.454 1.00 0.27 O ATOM 82 CB SER A 7 -7.039 -4.001 -4.339 1.00 0.41 C ATOM 83 OG SER A 7 -7.513 -4.677 -3.189 1.00 1.87 O ATOM 0 H SER A 7 -5.200 -3.655 -6.222 1.00 0.25 H new ATOM 0 HA SER A 7 -5.680 -2.602 -3.465 1.00 0.29 H new ATOM 0 HB2 SER A 7 -7.733 -3.197 -4.583 1.00 0.41 H new ATOM 0 HB3 SER A 7 -7.046 -4.694 -5.180 1.00 0.41 H new ATOM 0 HG SER A 7 -7.927 -5.525 -3.455 1.00 1.87 H new ATOM 89 N TRP A 8 -4.424 -4.502 -2.330 1.00 0.30 N ATOM 90 CA TRP A 8 -3.645 -5.556 -1.675 1.00 0.33 C ATOM 91 C TRP A 8 -4.313 -6.024 -0.386 1.00 0.38 C ATOM 92 O TRP A 8 -5.051 -5.263 0.246 1.00 0.43 O ATOM 93 CB TRP A 8 -2.234 -5.112 -1.336 1.00 0.35 C ATOM 94 CG TRP A 8 -1.366 -4.586 -2.418 1.00 0.38 C ATOM 95 CD1 TRP A 8 -0.205 -5.116 -2.813 1.00 0.46 C ATOM 96 CD2 TRP A 8 -1.373 -3.294 -3.049 1.00 0.38 C ATOM 97 NE1 TRP A 8 0.590 -4.036 -3.215 1.00 0.79 N ATOM 98 CE2 TRP A 8 -0.052 -2.816 -2.961 1.00 0.84 C ATOM 99 CE3 TRP A 8 -1.951 -2.823 -4.247 1.00 0.78 C ATOM 100 CZ2 TRP A 8 0.110 -1.506 -3.464 1.00 1.14 C ATOM 101 CZ3 TRP A 8 -1.045 -2.351 -5.252 1.00 0.70 C ATOM 102 CH2 TRP A 8 -0.068 -1.453 -4.831 1.00 0.60 C ATOM 0 H TRP A 8 -4.841 -3.842 -1.674 1.00 0.30 H new ATOM 0 HA TRP A 8 -3.599 -6.373 -2.395 1.00 0.33 H new ATOM 0 HB2 TRP A 8 -2.307 -4.341 -0.569 1.00 0.35 H new ATOM 0 HB3 TRP A 8 -1.721 -5.962 -0.886 1.00 0.35 H new ATOM 0 HD1 TRP A 8 0.065 -6.162 -2.821 1.00 0.46 H new ATOM 0 HE1 TRP A 8 1.514 -4.125 -3.637 1.00 0.79 H new ATOM 0 HE3 TRP A 8 -3.020 -2.818 -4.399 1.00 0.78 H new ATOM 0 HZ2 TRP A 8 0.345 -0.648 -2.851 1.00 1.14 H new ATOM 0 HZ3 TRP A 8 -1.116 -2.674 -6.280 1.00 0.70 H new ATOM 0 HH2 TRP A 8 0.481 -0.798 -5.491 1.00 0.60 H new ATOM 113 N LYS A 9 -3.994 -7.262 0.009 1.00 0.46 N ATOM 114 CA LYS A 9 -4.530 -7.952 1.176 1.00 0.62 C ATOM 115 C LYS A 9 -3.385 -8.082 2.184 1.00 0.70 C ATOM 116 O LYS A 9 -2.519 -8.930 1.972 1.00 0.86 O ATOM 117 CB LYS A 9 -5.011 -9.355 0.745 1.00 0.78 C ATOM 118 CG LYS A 9 -5.871 -9.344 -0.526 1.00 1.60 C ATOM 119 CD LYS A 9 -5.981 -10.742 -1.152 1.00 1.30 C ATOM 120 CE LYS A 9 -6.887 -11.685 -0.349 1.00 1.47 C ATOM 121 NZ LYS A 9 -7.539 -12.678 -1.230 1.00 2.24 N ATOM 0 H LYS A 9 -3.322 -7.833 -0.505 1.00 0.46 H new ATOM 0 HA LYS A 9 -5.368 -7.410 1.615 1.00 0.62 H new ATOM 0 HB2 LYS A 9 -4.143 -9.993 0.581 1.00 0.78 H new ATOM 0 HB3 LYS A 9 -5.585 -9.799 1.558 1.00 0.78 H new ATOM 0 HG2 LYS A 9 -6.868 -8.973 -0.287 1.00 1.60 H new ATOM 0 HG3 LYS A 9 -5.439 -8.654 -1.251 1.00 1.60 H new ATOM 0 HD2 LYS A 9 -6.368 -10.651 -2.167 1.00 1.30 H new ATOM 0 HD3 LYS A 9 -4.986 -11.180 -1.229 1.00 1.30 H new ATOM 0 HE2 LYS A 9 -6.299 -12.200 0.411 1.00 1.47 H new ATOM 0 HE3 LYS A 9 -7.647 -11.105 0.175 1.00 1.47 H new ATOM 0 HZ1 LYS A 9 -8.145 -13.302 -0.660 1.00 2.24 H new ATOM 0 HZ2 LYS A 9 -8.118 -12.185 -1.939 1.00 2.24 H new ATOM 0 HZ3 LYS A 9 -6.812 -13.246 -1.711 1.00 2.24 H new ATOM 135 N VAL A 10 -3.320 -7.239 3.221 1.00 0.68 N ATOM 136 CA VAL A 10 -2.202 -7.218 4.151 1.00 0.78 C ATOM 137 C VAL A 10 -2.604 -7.836 5.490 1.00 0.80 C ATOM 138 O VAL A 10 -3.781 -8.068 5.737 1.00 1.29 O ATOM 139 CB VAL A 10 -1.670 -5.778 4.275 1.00 0.84 C ATOM 140 CG1 VAL A 10 -0.202 -5.803 4.710 1.00 1.06 C ATOM 141 CG2 VAL A 10 -1.774 -5.028 2.940 1.00 0.89 C ATOM 0 H VAL A 10 -4.046 -6.554 3.433 1.00 0.68 H new ATOM 0 HA VAL A 10 -1.385 -7.833 3.773 1.00 0.78 H new ATOM 0 HB VAL A 10 -2.278 -5.262 5.018 1.00 0.84 H new ATOM 0 HG11 VAL A 10 0.169 -4.782 4.796 1.00 1.06 H new ATOM 0 HG12 VAL A 10 -0.117 -6.303 5.675 1.00 1.06 H new ATOM 0 HG13 VAL A 10 0.388 -6.342 3.969 1.00 1.06 H new ATOM 0 HG21 VAL A 10 -1.391 -4.015 3.061 1.00 0.89 H new ATOM 0 HG22 VAL A 10 -1.188 -5.550 2.183 1.00 0.89 H new ATOM 0 HG23 VAL A 10 -2.817 -4.986 2.627 1.00 0.89 H new ATOM 151 N SER A 11 -1.624 -8.126 6.351 1.00 0.48 N ATOM 152 CA SER A 11 -1.853 -8.650 7.689 1.00 0.50 C ATOM 153 C SER A 11 -0.868 -7.962 8.636 1.00 0.54 C ATOM 154 O SER A 11 0.312 -8.305 8.639 1.00 0.66 O ATOM 155 CB SER A 11 -1.678 -10.178 7.674 1.00 0.55 C ATOM 156 OG SER A 11 -2.466 -10.795 8.674 1.00 1.05 O ATOM 0 H SER A 11 -0.637 -7.999 6.129 1.00 0.48 H new ATOM 0 HA SER A 11 -2.867 -8.446 8.033 1.00 0.50 H new ATOM 0 HB2 SER A 11 -1.957 -10.569 6.695 1.00 0.55 H new ATOM 0 HB3 SER A 11 -0.628 -10.428 7.829 1.00 0.55 H new ATOM 0 HG SER A 11 -2.336 -11.766 8.640 1.00 1.05 H new ATOM 162 N GLY A 12 -1.342 -6.983 9.414 1.00 0.63 N ATOM 163 CA GLY A 12 -0.550 -6.350 10.470 1.00 0.77 C ATOM 164 C GLY A 12 -0.916 -4.884 10.701 1.00 0.85 C ATOM 165 O GLY A 12 -0.628 -4.332 11.758 1.00 0.92 O ATOM 0 H GLY A 12 -2.287 -6.608 9.328 1.00 0.63 H new ATOM 0 HA2 GLY A 12 -0.688 -6.903 11.399 1.00 0.77 H new ATOM 0 HA3 GLY A 12 0.507 -6.418 10.212 1.00 0.77 H new ATOM 169 N MET A 13 -1.524 -4.234 9.709 1.00 0.92 N ATOM 170 CA MET A 13 -1.915 -2.834 9.806 1.00 1.05 C ATOM 171 C MET A 13 -2.990 -2.602 10.875 1.00 1.00 C ATOM 172 O MET A 13 -4.153 -2.929 10.644 1.00 1.55 O ATOM 173 CB MET A 13 -2.418 -2.367 8.433 1.00 1.47 C ATOM 174 CG MET A 13 -1.294 -1.716 7.636 1.00 1.20 C ATOM 175 SD MET A 13 -1.800 -1.194 5.981 1.00 1.84 S ATOM 176 CE MET A 13 -0.750 -2.317 5.056 1.00 3.45 C ATOM 0 H MET A 13 -1.758 -4.667 8.816 1.00 0.92 H new ATOM 0 HA MET A 13 -1.043 -2.254 10.109 1.00 1.05 H new ATOM 0 HB2 MET A 13 -2.817 -3.217 7.879 1.00 1.47 H new ATOM 0 HB3 MET A 13 -3.236 -1.658 8.562 1.00 1.47 H new ATOM 0 HG2 MET A 13 -0.923 -0.850 8.185 1.00 1.20 H new ATOM 0 HG3 MET A 13 -0.465 -2.418 7.550 1.00 1.20 H new ATOM 0 HE1 MET A 13 -0.769 -2.046 4.000 1.00 3.45 H new ATOM 0 HE2 MET A 13 0.272 -2.251 5.430 1.00 3.45 H new ATOM 0 HE3 MET A 13 -1.114 -3.337 5.175 1.00 3.45 H new ATOM 186 N ASP A 14 -2.619 -1.961 11.993 1.00 0.89 N ATOM 187 CA ASP A 14 -3.551 -1.521 13.030 1.00 0.96 C ATOM 188 C ASP A 14 -3.203 -0.158 13.665 1.00 1.33 C ATOM 189 O ASP A 14 -4.011 0.368 14.428 1.00 2.59 O ATOM 190 CB ASP A 14 -3.634 -2.611 14.110 1.00 1.47 C ATOM 191 CG ASP A 14 -2.350 -2.776 14.917 1.00 3.39 C ATOM 192 OD1 ASP A 14 -1.352 -2.097 14.582 1.00 4.85 O ATOM 193 OD2 ASP A 14 -2.388 -3.571 15.877 1.00 4.28 O ATOM 0 H ASP A 14 -1.647 -1.732 12.201 1.00 0.89 H new ATOM 0 HA ASP A 14 -4.516 -1.369 12.547 1.00 0.96 H new ATOM 0 HB2 ASP A 14 -4.452 -2.374 14.790 1.00 1.47 H new ATOM 0 HB3 ASP A 14 -3.879 -3.561 13.636 1.00 1.47 H new ATOM 198 N CYS A 15 -2.022 0.418 13.395 1.00 0.81 N ATOM 199 CA CYS A 15 -1.442 1.472 14.232 1.00 1.06 C ATOM 200 C CYS A 15 -1.161 2.739 13.445 1.00 1.47 C ATOM 201 O CYS A 15 -0.619 2.678 12.346 1.00 2.94 O ATOM 202 CB CYS A 15 -0.094 1.026 14.800 1.00 0.99 C ATOM 203 SG CYS A 15 -0.302 0.109 16.341 1.00 1.44 S ATOM 0 H CYS A 15 -1.446 0.165 12.592 1.00 0.81 H new ATOM 0 HA CYS A 15 -2.174 1.664 15.016 1.00 1.06 H new ATOM 0 HB2 CYS A 15 0.422 0.402 14.070 1.00 0.99 H new ATOM 0 HB3 CYS A 15 0.536 1.898 14.976 1.00 0.99 H new ATOM 0 HG CYS A 15 -0.776 -1.074 16.082 1.00 1.44 H new ATOM 209 N ALA A 16 -1.394 3.906 14.050 1.00 0.96 N ATOM 210 CA ALA A 16 -1.156 5.200 13.423 1.00 1.13 C ATOM 211 C ALA A 16 0.195 5.284 12.696 1.00 1.19 C ATOM 212 O ALA A 16 0.253 5.659 11.520 1.00 2.11 O ATOM 213 CB ALA A 16 -1.297 6.314 14.465 1.00 1.58 C ATOM 0 H ALA A 16 -1.758 3.975 15.000 1.00 0.96 H new ATOM 0 HA ALA A 16 -1.913 5.329 12.650 1.00 1.13 H new ATOM 0 HB1 ALA A 16 -1.118 7.280 13.992 1.00 1.58 H new ATOM 0 HB2 ALA A 16 -2.303 6.296 14.883 1.00 1.58 H new ATOM 0 HB3 ALA A 16 -0.570 6.161 15.262 1.00 1.58 H new ATOM 219 N ALA A 17 1.277 4.928 13.390 1.00 0.98 N ATOM 220 CA ALA A 17 2.622 4.915 12.828 1.00 0.98 C ATOM 221 C ALA A 17 2.718 3.993 11.609 1.00 0.72 C ATOM 222 O ALA A 17 3.415 4.305 10.645 1.00 0.81 O ATOM 223 CB ALA A 17 3.621 4.487 13.908 1.00 1.20 C ATOM 0 H ALA A 17 1.240 4.638 14.367 1.00 0.98 H new ATOM 0 HA ALA A 17 2.862 5.922 12.488 1.00 0.98 H new ATOM 0 HB1 ALA A 17 4.627 4.477 13.489 1.00 1.20 H new ATOM 0 HB2 ALA A 17 3.581 5.190 14.740 1.00 1.20 H new ATOM 0 HB3 ALA A 17 3.366 3.489 14.264 1.00 1.20 H new ATOM 229 N CYS A 18 2.017 2.856 11.644 1.00 0.49 N ATOM 230 CA CYS A 18 2.004 1.904 10.544 1.00 0.41 C ATOM 231 C CYS A 18 1.232 2.512 9.385 1.00 0.36 C ATOM 232 O CYS A 18 1.665 2.400 8.244 1.00 0.38 O ATOM 233 CB CYS A 18 1.407 0.555 10.964 1.00 0.56 C ATOM 234 SG CYS A 18 2.566 -0.312 12.044 1.00 1.73 S ATOM 0 H CYS A 18 1.444 2.575 12.440 1.00 0.49 H new ATOM 0 HA CYS A 18 3.030 1.702 10.235 1.00 0.41 H new ATOM 0 HB2 CYS A 18 0.460 0.710 11.481 1.00 0.56 H new ATOM 0 HB3 CYS A 18 1.194 -0.050 10.083 1.00 0.56 H new ATOM 0 HG CYS A 18 2.056 -1.454 12.400 1.00 1.73 H new ATOM 240 N ALA A 19 0.120 3.194 9.675 1.00 0.47 N ATOM 241 CA ALA A 19 -0.643 3.901 8.657 1.00 0.65 C ATOM 242 C ALA A 19 0.261 4.886 7.922 1.00 0.63 C ATOM 243 O ALA A 19 0.296 4.889 6.692 1.00 0.68 O ATOM 244 CB ALA A 19 -1.883 4.595 9.234 1.00 0.86 C ATOM 0 H ALA A 19 -0.269 3.268 10.615 1.00 0.47 H new ATOM 0 HA ALA A 19 -1.013 3.165 7.943 1.00 0.65 H new ATOM 0 HB1 ALA A 19 -2.418 5.108 8.435 1.00 0.86 H new ATOM 0 HB2 ALA A 19 -2.537 3.852 9.689 1.00 0.86 H new ATOM 0 HB3 ALA A 19 -1.576 5.319 9.989 1.00 0.86 H new ATOM 250 N ARG A 20 1.027 5.700 8.657 1.00 0.61 N ATOM 251 CA ARG A 20 1.942 6.584 7.980 1.00 0.65 C ATOM 252 C ARG A 20 2.994 5.792 7.211 1.00 0.54 C ATOM 253 O ARG A 20 3.172 6.020 6.021 1.00 0.51 O ATOM 254 CB ARG A 20 2.531 7.675 8.855 1.00 0.74 C ATOM 255 CG ARG A 20 1.433 8.586 9.424 1.00 0.86 C ATOM 256 CD ARG A 20 1.500 8.664 10.953 1.00 0.96 C ATOM 257 NE ARG A 20 0.367 9.439 11.495 1.00 1.20 N ATOM 258 CZ ARG A 20 -0.926 9.063 11.478 1.00 2.03 C ATOM 259 NH1 ARG A 20 -1.267 7.825 11.112 1.00 3.60 N ATOM 260 NH2 ARG A 20 -1.880 9.931 11.835 1.00 2.42 N ATOM 0 H ARG A 20 1.025 5.756 9.675 1.00 0.61 H new ATOM 0 HA ARG A 20 1.348 7.139 7.254 1.00 0.65 H new ATOM 0 HB2 ARG A 20 3.093 7.225 9.673 1.00 0.74 H new ATOM 0 HB3 ARG A 20 3.235 8.270 8.274 1.00 0.74 H new ATOM 0 HG2 ARG A 20 1.535 9.586 9.003 1.00 0.86 H new ATOM 0 HG3 ARG A 20 0.455 8.211 9.121 1.00 0.86 H new ATOM 0 HD2 ARG A 20 1.490 7.658 11.372 1.00 0.96 H new ATOM 0 HD3 ARG A 20 2.439 9.127 11.256 1.00 0.96 H new ATOM 0 HE ARG A 20 0.583 10.340 11.921 1.00 1.20 H new ATOM 0 HH11 ARG A 20 -0.546 7.156 10.843 1.00 3.60 H new ATOM 0 HH12 ARG A 20 -2.249 7.548 11.102 1.00 3.60 H new ATOM 0 HH21 ARG A 20 -1.628 10.877 12.120 1.00 2.42 H new ATOM 0 HH22 ARG A 20 -2.859 9.646 11.822 1.00 2.42 H new ATOM 274 N LYS A 21 3.691 4.850 7.845 1.00 0.48 N ATOM 275 CA LYS A 21 4.689 4.059 7.137 1.00 0.41 C ATOM 276 C LYS A 21 4.138 3.501 5.820 1.00 0.35 C ATOM 277 O LYS A 21 4.813 3.564 4.802 1.00 0.32 O ATOM 278 CB LYS A 21 5.200 2.962 8.068 1.00 0.40 C ATOM 279 CG LYS A 21 6.253 3.555 9.008 1.00 0.74 C ATOM 280 CD LYS A 21 6.633 2.625 10.164 1.00 1.79 C ATOM 281 CE LYS A 21 7.372 1.345 9.709 1.00 3.01 C ATOM 282 NZ LYS A 21 6.498 0.157 9.551 1.00 5.14 N ATOM 0 H LYS A 21 3.584 4.620 8.833 1.00 0.48 H new ATOM 0 HA LYS A 21 5.528 4.697 6.858 1.00 0.41 H new ATOM 0 HB2 LYS A 21 4.375 2.543 8.644 1.00 0.40 H new ATOM 0 HB3 LYS A 21 5.631 2.146 7.487 1.00 0.40 H new ATOM 0 HG2 LYS A 21 7.149 3.793 8.434 1.00 0.74 H new ATOM 0 HG3 LYS A 21 5.877 4.494 9.416 1.00 0.74 H new ATOM 0 HD2 LYS A 21 7.265 3.170 10.865 1.00 1.79 H new ATOM 0 HD3 LYS A 21 5.729 2.341 10.703 1.00 1.79 H new ATOM 0 HE2 LYS A 21 7.868 1.545 8.759 1.00 3.01 H new ATOM 0 HE3 LYS A 21 8.152 1.113 10.434 1.00 3.01 H new ATOM 0 HZ1 LYS A 21 6.895 -0.472 8.824 1.00 5.14 H new ATOM 0 HZ2 LYS A 21 6.439 -0.353 10.455 1.00 5.14 H new ATOM 0 HZ3 LYS A 21 5.547 0.462 9.262 1.00 5.14 H new ATOM 296 N VAL A 22 2.896 3.021 5.821 1.00 0.38 N ATOM 297 CA VAL A 22 2.200 2.550 4.639 1.00 0.39 C ATOM 298 C VAL A 22 2.008 3.649 3.605 1.00 0.36 C ATOM 299 O VAL A 22 2.440 3.484 2.467 1.00 0.39 O ATOM 300 CB VAL A 22 0.850 1.992 5.077 1.00 0.52 C ATOM 301 CG1 VAL A 22 -0.112 1.744 3.916 1.00 0.67 C ATOM 302 CG2 VAL A 22 1.092 0.652 5.770 1.00 0.55 C ATOM 0 H VAL A 22 2.336 2.950 6.671 1.00 0.38 H new ATOM 0 HA VAL A 22 2.802 1.778 4.160 1.00 0.39 H new ATOM 0 HB VAL A 22 0.393 2.735 5.731 1.00 0.52 H new ATOM 0 HG11 VAL A 22 -1.052 1.347 4.300 1.00 0.67 H new ATOM 0 HG12 VAL A 22 -0.301 2.682 3.393 1.00 0.67 H new ATOM 0 HG13 VAL A 22 0.329 1.026 3.225 1.00 0.67 H new ATOM 0 HG21 VAL A 22 0.139 0.232 6.093 1.00 0.55 H new ATOM 0 HG22 VAL A 22 1.574 -0.035 5.075 1.00 0.55 H new ATOM 0 HG23 VAL A 22 1.735 0.802 6.637 1.00 0.55 H new ATOM 312 N GLU A 23 1.321 4.745 3.947 1.00 0.37 N ATOM 313 CA GLU A 23 1.010 5.740 2.930 1.00 0.38 C ATOM 314 C GLU A 23 2.342 6.247 2.386 1.00 0.29 C ATOM 315 O GLU A 23 2.559 6.313 1.186 1.00 0.28 O ATOM 316 CB GLU A 23 0.090 6.857 3.460 1.00 0.50 C ATOM 317 CG GLU A 23 0.788 7.660 4.558 1.00 0.54 C ATOM 318 CD GLU A 23 -0.017 8.824 5.111 1.00 0.76 C ATOM 319 OE1 GLU A 23 0.110 9.915 4.510 1.00 1.88 O ATOM 320 OE2 GLU A 23 -0.674 8.621 6.154 1.00 1.79 O ATOM 0 H GLU A 23 0.983 4.956 4.886 1.00 0.37 H new ATOM 0 HA GLU A 23 0.431 5.298 2.119 1.00 0.38 H new ATOM 0 HB2 GLU A 23 -0.193 7.520 2.642 1.00 0.50 H new ATOM 0 HB3 GLU A 23 -0.830 6.422 3.850 1.00 0.50 H new ATOM 0 HG2 GLU A 23 1.036 6.987 5.378 1.00 0.54 H new ATOM 0 HG3 GLU A 23 1.730 8.043 4.165 1.00 0.54 H new ATOM 327 N ASN A 24 3.291 6.531 3.271 1.00 0.29 N ATOM 328 CA ASN A 24 4.583 7.065 2.897 1.00 0.30 C ATOM 329 C ASN A 24 5.392 6.040 2.102 1.00 0.26 C ATOM 330 O ASN A 24 6.135 6.430 1.203 1.00 0.31 O ATOM 331 CB ASN A 24 5.306 7.574 4.140 1.00 0.43 C ATOM 332 CG ASN A 24 4.640 8.834 4.704 1.00 0.49 C ATOM 333 OD1 ASN A 24 4.951 9.954 4.310 1.00 0.72 O ATOM 334 ND2 ASN A 24 3.664 8.662 5.586 1.00 0.48 N ATOM 0 H ASN A 24 3.178 6.394 4.275 1.00 0.29 H new ATOM 0 HA ASN A 24 4.450 7.916 2.230 1.00 0.30 H new ATOM 0 HB2 ASN A 24 5.314 6.794 4.902 1.00 0.43 H new ATOM 0 HB3 ASN A 24 6.346 7.790 3.894 1.00 0.43 H new ATOM 0 HD21 ASN A 24 3.157 9.469 5.949 1.00 0.48 H new ATOM 0 HD22 ASN A 24 3.421 7.723 5.901 1.00 0.48 H new ATOM 341 N ALA A 25 5.225 4.741 2.377 1.00 0.25 N ATOM 342 CA ALA A 25 5.769 3.667 1.551 1.00 0.28 C ATOM 343 C ALA A 25 5.310 3.785 0.099 1.00 0.24 C ATOM 344 O ALA A 25 6.028 3.324 -0.784 1.00 0.26 O ATOM 345 CB ALA A 25 5.455 2.279 2.124 1.00 0.39 C ATOM 0 H ALA A 25 4.703 4.407 3.187 1.00 0.25 H new ATOM 0 HA ALA A 25 6.853 3.780 1.565 1.00 0.28 H new ATOM 0 HB1 ALA A 25 5.880 1.513 1.475 1.00 0.39 H new ATOM 0 HB2 ALA A 25 5.887 2.191 3.121 1.00 0.39 H new ATOM 0 HB3 ALA A 25 4.375 2.146 2.183 1.00 0.39 H new ATOM 351 N VAL A 26 4.152 4.408 -0.167 1.00 0.23 N ATOM 352 CA VAL A 26 3.683 4.646 -1.519 1.00 0.25 C ATOM 353 C VAL A 26 3.997 6.061 -2.007 1.00 0.23 C ATOM 354 O VAL A 26 4.451 6.257 -3.130 1.00 0.27 O ATOM 355 CB VAL A 26 2.202 4.274 -1.657 1.00 0.36 C ATOM 356 CG1 VAL A 26 1.883 2.952 -0.953 1.00 1.77 C ATOM 357 CG2 VAL A 26 1.123 5.297 -1.296 1.00 2.01 C ATOM 0 H VAL A 26 3.523 4.757 0.556 1.00 0.23 H new ATOM 0 HA VAL A 26 4.240 3.986 -2.184 1.00 0.25 H new ATOM 0 HB VAL A 26 2.130 4.208 -2.743 1.00 0.36 H new ATOM 0 HG11 VAL A 26 0.824 2.722 -1.073 1.00 1.77 H new ATOM 0 HG12 VAL A 26 2.480 2.153 -1.392 1.00 1.77 H new ATOM 0 HG13 VAL A 26 2.117 3.039 0.108 1.00 1.77 H new ATOM 0 HG21 VAL A 26 0.138 4.859 -1.456 1.00 2.01 H new ATOM 0 HG22 VAL A 26 1.228 5.582 -0.249 1.00 2.01 H new ATOM 0 HG23 VAL A 26 1.234 6.180 -1.925 1.00 2.01 H new ATOM 367 N ARG A 27 3.774 7.065 -1.163 1.00 0.21 N ATOM 368 CA ARG A 27 3.950 8.466 -1.537 1.00 0.23 C ATOM 369 C ARG A 27 5.399 8.747 -1.930 1.00 0.21 C ATOM 370 O ARG A 27 5.667 9.666 -2.697 1.00 0.30 O ATOM 371 CB ARG A 27 3.526 9.413 -0.408 1.00 0.30 C ATOM 372 CG ARG A 27 2.022 9.338 -0.099 1.00 0.45 C ATOM 373 CD ARG A 27 1.539 10.513 0.759 1.00 0.86 C ATOM 374 NE ARG A 27 2.240 10.590 2.053 1.00 0.96 N ATOM 375 CZ ARG A 27 2.072 11.582 2.944 1.00 1.49 C ATOM 376 NH1 ARG A 27 1.140 12.517 2.726 1.00 2.09 N ATOM 377 NH2 ARG A 27 2.863 11.671 4.017 1.00 2.53 N ATOM 0 H ARG A 27 3.466 6.930 -0.200 1.00 0.21 H new ATOM 0 HA ARG A 27 3.305 8.650 -2.396 1.00 0.23 H new ATOM 0 HB2 ARG A 27 4.090 9.171 0.493 1.00 0.30 H new ATOM 0 HB3 ARG A 27 3.785 10.436 -0.682 1.00 0.30 H new ATOM 0 HG2 ARG A 27 1.463 9.321 -1.034 1.00 0.45 H new ATOM 0 HG3 ARG A 27 1.807 8.403 0.418 1.00 0.45 H new ATOM 0 HD2 ARG A 27 1.688 11.444 0.212 1.00 0.86 H new ATOM 0 HD3 ARG A 27 0.468 10.415 0.935 1.00 0.86 H new ATOM 0 HE ARG A 27 2.894 9.843 2.287 1.00 0.96 H new ATOM 0 HH11 ARG A 27 0.561 12.475 1.887 1.00 2.09 H new ATOM 0 HH12 ARG A 27 1.008 13.272 3.399 1.00 2.09 H new ATOM 0 HH21 ARG A 27 3.601 10.983 4.165 1.00 2.53 H new ATOM 0 HH22 ARG A 27 2.729 12.427 4.688 1.00 2.53 H new ATOM 391 N GLN A 28 6.334 7.950 -1.407 1.00 0.20 N ATOM 392 CA GLN A 28 7.747 8.075 -1.724 1.00 0.24 C ATOM 393 C GLN A 28 8.064 7.706 -3.176 1.00 0.24 C ATOM 394 O GLN A 28 9.189 7.928 -3.610 1.00 0.29 O ATOM 395 CB GLN A 28 8.593 7.301 -0.710 1.00 0.29 C ATOM 396 CG GLN A 28 8.410 5.782 -0.815 1.00 0.30 C ATOM 397 CD GLN A 28 9.136 5.076 0.322 1.00 0.38 C ATOM 398 OE1 GLN A 28 10.054 4.291 0.109 1.00 0.52 O ATOM 399 NE2 GLN A 28 8.736 5.373 1.553 1.00 0.49 N ATOM 0 H GLN A 28 6.125 7.199 -0.750 1.00 0.20 H new ATOM 0 HA GLN A 28 8.016 9.128 -1.638 1.00 0.24 H new ATOM 0 HB2 GLN A 28 9.644 7.546 -0.859 1.00 0.29 H new ATOM 0 HB3 GLN A 28 8.330 7.625 0.297 1.00 0.29 H new ATOM 0 HG2 GLN A 28 7.349 5.535 -0.785 1.00 0.30 H new ATOM 0 HG3 GLN A 28 8.793 5.429 -1.773 1.00 0.30 H new ATOM 0 HE21 GLN A 28 7.969 6.030 1.695 1.00 0.49 H new ATOM 0 HE22 GLN A 28 9.196 4.944 2.356 1.00 0.49 H new ATOM 408 N LEU A 29 7.126 7.061 -3.885 1.00 0.21 N ATOM 409 CA LEU A 29 7.290 6.664 -5.273 1.00 0.23 C ATOM 410 C LEU A 29 7.295 7.921 -6.158 1.00 0.26 C ATOM 411 O LEU A 29 8.224 8.721 -6.107 1.00 0.39 O ATOM 412 CB LEU A 29 6.197 5.637 -5.631 1.00 0.24 C ATOM 413 CG LEU A 29 6.161 4.322 -4.812 1.00 0.28 C ATOM 414 CD1 LEU A 29 6.424 3.134 -5.727 1.00 0.64 C ATOM 415 CD2 LEU A 29 7.123 4.170 -3.631 1.00 0.61 C ATOM 0 H LEU A 29 6.220 6.801 -3.495 1.00 0.21 H new ATOM 0 HA LEU A 29 8.245 6.168 -5.445 1.00 0.23 H new ATOM 0 HB2 LEU A 29 5.228 6.126 -5.527 1.00 0.24 H new ATOM 0 HB3 LEU A 29 6.311 5.376 -6.683 1.00 0.24 H new ATOM 0 HG LEU A 29 5.162 4.360 -4.378 1.00 0.28 H new ATOM 0 HD11 LEU A 29 6.397 2.213 -5.144 1.00 0.64 H new ATOM 0 HD12 LEU A 29 5.659 3.095 -6.502 1.00 0.64 H new ATOM 0 HD13 LEU A 29 7.405 3.242 -6.190 1.00 0.64 H new ATOM 0 HD21 LEU A 29 6.974 3.197 -3.163 1.00 0.61 H new ATOM 0 HD22 LEU A 29 8.151 4.248 -3.986 1.00 0.61 H new ATOM 0 HD23 LEU A 29 6.931 4.957 -2.902 1.00 0.61 H new ATOM 427 N ALA A 30 6.267 8.094 -6.984 1.00 0.24 N ATOM 428 CA ALA A 30 6.112 9.217 -7.902 1.00 0.28 C ATOM 429 C ALA A 30 4.795 9.051 -8.652 1.00 0.29 C ATOM 430 O ALA A 30 4.001 9.979 -8.757 1.00 0.33 O ATOM 431 CB ALA A 30 7.268 9.259 -8.911 1.00 0.33 C ATOM 0 H ALA A 30 5.492 7.433 -7.034 1.00 0.24 H new ATOM 0 HA ALA A 30 6.117 10.147 -7.334 1.00 0.28 H new ATOM 0 HB1 ALA A 30 7.132 10.104 -9.586 1.00 0.33 H new ATOM 0 HB2 ALA A 30 8.212 9.369 -8.378 1.00 0.33 H new ATOM 0 HB3 ALA A 30 7.282 8.334 -9.487 1.00 0.33 H new ATOM 437 N GLY A 31 4.583 7.844 -9.180 1.00 0.29 N ATOM 438 CA GLY A 31 3.446 7.548 -10.042 1.00 0.32 C ATOM 439 C GLY A 31 2.122 7.434 -9.279 1.00 0.30 C ATOM 440 O GLY A 31 1.047 7.502 -9.876 1.00 0.40 O ATOM 0 H GLY A 31 5.198 7.046 -9.019 1.00 0.29 H new ATOM 0 HA2 GLY A 31 3.357 8.330 -10.796 1.00 0.32 H new ATOM 0 HA3 GLY A 31 3.634 6.614 -10.572 1.00 0.32 H new ATOM 444 N VAL A 32 2.197 7.213 -7.962 1.00 0.26 N ATOM 445 CA VAL A 32 1.037 7.193 -7.085 1.00 0.26 C ATOM 446 C VAL A 32 0.383 8.573 -7.067 1.00 0.31 C ATOM 447 O VAL A 32 1.079 9.566 -6.870 1.00 0.46 O ATOM 448 CB VAL A 32 1.471 6.748 -5.679 1.00 0.36 C ATOM 449 CG1 VAL A 32 0.284 6.796 -4.709 1.00 0.55 C ATOM 450 CG2 VAL A 32 2.046 5.327 -5.727 1.00 0.31 C ATOM 0 H VAL A 32 3.078 7.042 -7.477 1.00 0.26 H new ATOM 0 HA VAL A 32 0.298 6.481 -7.452 1.00 0.26 H new ATOM 0 HB VAL A 32 2.241 7.433 -5.325 1.00 0.36 H new ATOM 0 HG11 VAL A 32 0.610 6.478 -3.719 1.00 0.55 H new ATOM 0 HG12 VAL A 32 -0.100 7.815 -4.654 1.00 0.55 H new ATOM 0 HG13 VAL A 32 -0.503 6.130 -5.063 1.00 0.55 H new ATOM 0 HG21 VAL A 32 2.350 5.023 -4.725 1.00 0.31 H new ATOM 0 HG22 VAL A 32 1.287 4.640 -6.100 1.00 0.31 H new ATOM 0 HG23 VAL A 32 2.911 5.307 -6.390 1.00 0.31 H new ATOM 460 N ASN A 33 -0.943 8.640 -7.248 1.00 0.27 N ATOM 461 CA ASN A 33 -1.654 9.909 -7.221 1.00 0.35 C ATOM 462 C ASN A 33 -2.279 10.050 -5.843 1.00 0.38 C ATOM 463 O ASN A 33 -2.154 11.077 -5.183 1.00 0.71 O ATOM 464 CB ASN A 33 -2.791 9.961 -8.248 1.00 0.70 C ATOM 465 CG ASN A 33 -2.496 9.402 -9.627 1.00 0.82 C ATOM 466 OD1 ASN A 33 -1.873 10.051 -10.461 1.00 2.07 O ATOM 467 ND2 ASN A 33 -3.038 8.220 -9.880 1.00 0.92 N ATOM 0 H ASN A 33 -1.537 7.828 -7.414 1.00 0.27 H new ATOM 0 HA ASN A 33 -0.946 10.704 -7.454 1.00 0.35 H new ATOM 0 HB2 ASN A 33 -3.644 9.420 -7.838 1.00 0.70 H new ATOM 0 HB3 ASN A 33 -3.098 11.001 -8.362 1.00 0.70 H new ATOM 0 HD21 ASN A 33 -2.947 7.805 -10.808 1.00 0.92 H new ATOM 0 HD22 ASN A 33 -3.546 7.724 -9.147 1.00 0.92 H new ATOM 474 N GLN A 34 -2.995 8.998 -5.445 1.00 0.34 N ATOM 475 CA GLN A 34 -3.822 8.956 -4.262 1.00 0.46 C ATOM 476 C GLN A 34 -3.776 7.524 -3.729 1.00 0.44 C ATOM 477 O GLN A 34 -3.445 6.591 -4.459 1.00 0.92 O ATOM 478 CB GLN A 34 -5.228 9.491 -4.599 1.00 0.65 C ATOM 479 CG GLN A 34 -5.913 8.813 -5.800 1.00 1.44 C ATOM 480 CD GLN A 34 -6.626 9.794 -6.728 1.00 1.01 C ATOM 481 OE1 GLN A 34 -7.324 10.694 -6.278 1.00 1.23 O ATOM 482 NE2 GLN A 34 -6.456 9.633 -8.040 1.00 0.95 N ATOM 0 H GLN A 34 -3.008 8.122 -5.967 1.00 0.34 H new ATOM 0 HA GLN A 34 -3.464 9.606 -3.463 1.00 0.46 H new ATOM 0 HB2 GLN A 34 -5.865 9.372 -3.722 1.00 0.65 H new ATOM 0 HB3 GLN A 34 -5.155 10.560 -4.798 1.00 0.65 H new ATOM 0 HG2 GLN A 34 -5.166 8.263 -6.371 1.00 1.44 H new ATOM 0 HG3 GLN A 34 -6.634 8.083 -5.432 1.00 1.44 H new ATOM 0 HE21 GLN A 34 -5.869 8.875 -8.389 1.00 0.95 H new ATOM 0 HE22 GLN A 34 -6.913 10.268 -8.695 1.00 0.95 H new ATOM 491 N VAL A 35 -4.021 7.367 -2.433 1.00 0.29 N ATOM 492 CA VAL A 35 -3.853 6.120 -1.702 1.00 0.27 C ATOM 493 C VAL A 35 -4.983 5.974 -0.689 1.00 0.30 C ATOM 494 O VAL A 35 -5.392 6.958 -0.076 1.00 0.43 O ATOM 495 CB VAL A 35 -2.458 6.080 -1.049 1.00 0.38 C ATOM 496 CG1 VAL A 35 -2.153 7.301 -0.168 1.00 1.40 C ATOM 497 CG2 VAL A 35 -2.266 4.806 -0.217 1.00 1.44 C ATOM 0 H VAL A 35 -4.353 8.131 -1.844 1.00 0.29 H new ATOM 0 HA VAL A 35 -3.909 5.269 -2.380 1.00 0.27 H new ATOM 0 HB VAL A 35 -1.757 6.092 -1.883 1.00 0.38 H new ATOM 0 HG11 VAL A 35 -1.154 7.202 0.257 1.00 1.40 H new ATOM 0 HG12 VAL A 35 -2.202 8.207 -0.772 1.00 1.40 H new ATOM 0 HG13 VAL A 35 -2.886 7.361 0.637 1.00 1.40 H new ATOM 0 HG21 VAL A 35 -1.272 4.810 0.230 1.00 1.44 H new ATOM 0 HG22 VAL A 35 -3.018 4.770 0.571 1.00 1.44 H new ATOM 0 HG23 VAL A 35 -2.372 3.932 -0.860 1.00 1.44 H new ATOM 507 N GLN A 36 -5.489 4.749 -0.523 1.00 0.34 N ATOM 508 CA GLN A 36 -6.558 4.409 0.386 1.00 0.48 C ATOM 509 C GLN A 36 -6.077 3.300 1.326 1.00 0.33 C ATOM 510 O GLN A 36 -6.252 2.111 1.053 1.00 0.44 O ATOM 511 CB GLN A 36 -7.764 3.992 -0.458 1.00 0.91 C ATOM 512 CG GLN A 36 -8.485 5.216 -1.014 1.00 1.04 C ATOM 513 CD GLN A 36 -9.622 4.808 -1.948 1.00 1.14 C ATOM 514 OE1 GLN A 36 -10.724 4.540 -1.481 1.00 1.83 O ATOM 515 NE2 GLN A 36 -9.394 4.719 -3.258 1.00 1.53 N ATOM 0 H GLN A 36 -5.143 3.943 -1.044 1.00 0.34 H new ATOM 0 HA GLN A 36 -6.852 5.251 1.013 1.00 0.48 H new ATOM 0 HB2 GLN A 36 -7.436 3.354 -1.278 1.00 0.91 H new ATOM 0 HB3 GLN A 36 -8.452 3.403 0.149 1.00 0.91 H new ATOM 0 HG2 GLN A 36 -8.882 5.812 -0.192 1.00 1.04 H new ATOM 0 HG3 GLN A 36 -7.777 5.846 -1.552 1.00 1.04 H new ATOM 0 HE21 GLN A 36 -8.472 4.945 -3.632 1.00 1.53 H new ATOM 0 HE22 GLN A 36 -10.141 4.425 -3.887 1.00 1.53 H new ATOM 524 N VAL A 37 -5.535 3.714 2.473 1.00 0.22 N ATOM 525 CA VAL A 37 -5.158 2.843 3.576 1.00 0.25 C ATOM 526 C VAL A 37 -6.364 2.721 4.512 1.00 0.27 C ATOM 527 O VAL A 37 -6.632 3.632 5.293 1.00 0.47 O ATOM 528 CB VAL A 37 -3.980 3.474 4.355 1.00 0.44 C ATOM 529 CG1 VAL A 37 -3.435 2.476 5.386 1.00 2.09 C ATOM 530 CG2 VAL A 37 -2.861 3.986 3.442 1.00 1.75 C ATOM 0 H VAL A 37 -5.342 4.698 2.661 1.00 0.22 H new ATOM 0 HA VAL A 37 -4.857 1.865 3.200 1.00 0.25 H new ATOM 0 HB VAL A 37 -4.372 4.350 4.872 1.00 0.44 H new ATOM 0 HG11 VAL A 37 -2.606 2.930 5.929 1.00 2.09 H new ATOM 0 HG12 VAL A 37 -4.226 2.209 6.087 1.00 2.09 H new ATOM 0 HG13 VAL A 37 -3.086 1.579 4.875 1.00 2.09 H new ATOM 0 HG21 VAL A 37 -2.065 4.417 4.049 1.00 1.75 H new ATOM 0 HG22 VAL A 37 -2.463 3.158 2.855 1.00 1.75 H new ATOM 0 HG23 VAL A 37 -3.259 4.748 2.771 1.00 1.75 H new ATOM 540 N LEU A 38 -7.108 1.612 4.436 1.00 0.29 N ATOM 541 CA LEU A 38 -8.241 1.367 5.301 1.00 0.34 C ATOM 542 C LEU A 38 -7.835 0.342 6.362 1.00 0.30 C ATOM 543 O LEU A 38 -7.681 -0.842 6.055 1.00 0.38 O ATOM 544 CB LEU A 38 -9.400 0.890 4.420 1.00 0.46 C ATOM 545 CG LEU A 38 -10.589 0.383 5.235 1.00 0.52 C ATOM 546 CD1 LEU A 38 -11.115 1.435 6.217 1.00 0.60 C ATOM 547 CD2 LEU A 38 -11.724 -0.070 4.310 1.00 0.68 C ATOM 0 H LEU A 38 -6.931 0.863 3.766 1.00 0.29 H new ATOM 0 HA LEU A 38 -8.564 2.263 5.831 1.00 0.34 H new ATOM 0 HB2 LEU A 38 -9.726 1.710 3.780 1.00 0.46 H new ATOM 0 HB3 LEU A 38 -9.049 0.094 3.764 1.00 0.46 H new ATOM 0 HG LEU A 38 -10.230 -0.466 5.817 1.00 0.52 H new ATOM 0 HD11 LEU A 38 -11.959 1.025 6.771 1.00 0.60 H new ATOM 0 HD12 LEU A 38 -10.323 1.711 6.913 1.00 0.60 H new ATOM 0 HD13 LEU A 38 -11.437 2.318 5.666 1.00 0.60 H new ATOM 0 HD21 LEU A 38 -12.561 -0.427 4.909 1.00 0.68 H new ATOM 0 HD22 LEU A 38 -12.050 0.769 3.696 1.00 0.68 H new ATOM 0 HD23 LEU A 38 -11.369 -0.875 3.666 1.00 0.68 H new ATOM 559 N PHE A 39 -7.683 0.795 7.611 1.00 0.58 N ATOM 560 CA PHE A 39 -7.534 -0.102 8.750 1.00 0.72 C ATOM 561 C PHE A 39 -8.780 -0.959 8.945 1.00 0.87 C ATOM 562 O PHE A 39 -9.828 -0.709 8.352 1.00 1.55 O ATOM 563 CB PHE A 39 -7.253 0.686 10.043 1.00 1.19 C ATOM 564 CG PHE A 39 -5.845 1.199 10.189 1.00 0.62 C ATOM 565 CD1 PHE A 39 -4.775 0.304 10.025 1.00 1.66 C ATOM 566 CD2 PHE A 39 -5.605 2.481 10.715 1.00 1.76 C ATOM 567 CE1 PHE A 39 -3.461 0.736 10.215 1.00 2.33 C ATOM 568 CE2 PHE A 39 -4.290 2.895 10.971 1.00 2.27 C ATOM 569 CZ PHE A 39 -3.221 2.037 10.665 1.00 2.29 C ATOM 0 H PHE A 39 -7.661 1.785 7.854 1.00 0.58 H new ATOM 0 HA PHE A 39 -6.686 -0.752 8.536 1.00 0.72 H new ATOM 0 HB2 PHE A 39 -7.938 1.533 10.089 1.00 1.19 H new ATOM 0 HB3 PHE A 39 -7.480 0.046 10.896 1.00 1.19 H new ATOM 0 HD1 PHE A 39 -4.969 -0.722 9.751 1.00 1.66 H new ATOM 0 HD2 PHE A 39 -6.431 3.145 10.921 1.00 1.76 H new ATOM 0 HE1 PHE A 39 -2.635 0.069 10.015 1.00 2.33 H new ATOM 0 HE2 PHE A 39 -4.100 3.867 11.401 1.00 2.27 H new ATOM 0 HZ PHE A 39 -2.205 2.386 10.778 1.00 2.29 H new ATOM 579 N ALA A 40 -8.647 -1.973 9.802 1.00 0.76 N ATOM 580 CA ALA A 40 -9.694 -2.896 10.215 1.00 0.86 C ATOM 581 C ALA A 40 -10.036 -3.898 9.111 1.00 0.69 C ATOM 582 O ALA A 40 -10.083 -5.091 9.373 1.00 0.87 O ATOM 583 CB ALA A 40 -10.937 -2.168 10.746 1.00 1.13 C ATOM 0 H ALA A 40 -7.754 -2.180 10.249 1.00 0.76 H new ATOM 0 HA ALA A 40 -9.296 -3.471 11.051 1.00 0.86 H new ATOM 0 HB1 ALA A 40 -11.689 -2.900 11.041 1.00 1.13 H new ATOM 0 HB2 ALA A 40 -10.662 -1.562 11.609 1.00 1.13 H new ATOM 0 HB3 ALA A 40 -11.343 -1.525 9.965 1.00 1.13 H new ATOM 589 N THR A 41 -10.235 -3.421 7.880 1.00 0.52 N ATOM 590 CA THR A 41 -10.407 -4.255 6.693 1.00 0.43 C ATOM 591 C THR A 41 -9.064 -4.742 6.123 1.00 0.41 C ATOM 592 O THR A 41 -9.055 -5.315 5.036 1.00 0.68 O ATOM 593 CB THR A 41 -11.195 -3.451 5.646 1.00 0.52 C ATOM 594 OG1 THR A 41 -12.073 -2.545 6.286 1.00 0.75 O ATOM 595 CG2 THR A 41 -12.036 -4.347 4.728 1.00 0.94 C ATOM 0 H THR A 41 -10.282 -2.422 7.679 1.00 0.52 H new ATOM 0 HA THR A 41 -10.960 -5.153 6.969 1.00 0.43 H new ATOM 0 HB THR A 41 -10.455 -2.925 5.043 1.00 0.52 H new ATOM 0 HG1 THR A 41 -12.926 -2.521 5.804 1.00 0.75 H new ATOM 0 HG21 THR A 41 -12.572 -3.729 4.008 1.00 0.94 H new ATOM 0 HG22 THR A 41 -11.383 -5.039 4.197 1.00 0.94 H new ATOM 0 HG23 THR A 41 -12.752 -4.911 5.326 1.00 0.94 H new ATOM 603 N GLU A 42 -7.946 -4.433 6.801 1.00 0.47 N ATOM 604 CA GLU A 42 -6.560 -4.752 6.454 1.00 0.56 C ATOM 605 C GLU A 42 -6.239 -4.722 4.948 1.00 0.55 C ATOM 606 O GLU A 42 -5.384 -5.470 4.463 1.00 0.71 O ATOM 607 CB GLU A 42 -6.128 -6.057 7.143 1.00 0.78 C ATOM 608 CG GLU A 42 -6.930 -7.299 6.718 1.00 2.55 C ATOM 609 CD GLU A 42 -8.117 -7.585 7.629 1.00 3.51 C ATOM 610 OE1 GLU A 42 -7.851 -7.876 8.814 1.00 3.79 O ATOM 611 OE2 GLU A 42 -9.259 -7.534 7.122 1.00 4.63 O ATOM 0 H GLU A 42 -7.998 -3.911 7.676 1.00 0.47 H new ATOM 0 HA GLU A 42 -5.950 -3.937 6.844 1.00 0.56 H new ATOM 0 HB2 GLU A 42 -5.073 -6.232 6.933 1.00 0.78 H new ATOM 0 HB3 GLU A 42 -6.221 -5.932 8.222 1.00 0.78 H new ATOM 0 HG2 GLU A 42 -7.288 -7.161 5.698 1.00 2.55 H new ATOM 0 HG3 GLU A 42 -6.269 -8.166 6.710 1.00 2.55 H new ATOM 618 N LYS A 43 -6.897 -3.821 4.209 1.00 0.51 N ATOM 619 CA LYS A 43 -6.835 -3.795 2.759 1.00 0.62 C ATOM 620 C LYS A 43 -6.220 -2.481 2.317 1.00 0.49 C ATOM 621 O LYS A 43 -6.635 -1.407 2.760 1.00 0.64 O ATOM 622 CB LYS A 43 -8.197 -4.109 2.118 1.00 1.02 C ATOM 623 CG LYS A 43 -9.223 -2.977 2.221 1.00 1.34 C ATOM 624 CD LYS A 43 -9.324 -2.204 0.893 1.00 1.29 C ATOM 625 CE LYS A 43 -9.634 -0.735 1.188 1.00 0.70 C ATOM 626 NZ LYS A 43 -10.175 0.010 0.035 1.00 1.19 N ATOM 0 H LYS A 43 -7.487 -3.091 4.609 1.00 0.51 H new ATOM 0 HA LYS A 43 -6.187 -4.594 2.399 1.00 0.62 H new ATOM 0 HB2 LYS A 43 -8.043 -4.348 1.066 1.00 1.02 H new ATOM 0 HB3 LYS A 43 -8.610 -5.001 2.590 1.00 1.02 H new ATOM 0 HG2 LYS A 43 -10.198 -3.388 2.482 1.00 1.34 H new ATOM 0 HG3 LYS A 43 -8.939 -2.295 3.023 1.00 1.34 H new ATOM 0 HD2 LYS A 43 -8.389 -2.287 0.338 1.00 1.29 H new ATOM 0 HD3 LYS A 43 -10.105 -2.634 0.267 1.00 1.29 H new ATOM 0 HE2 LYS A 43 -10.350 -0.684 2.008 1.00 0.70 H new ATOM 0 HE3 LYS A 43 -8.723 -0.244 1.529 1.00 0.70 H new ATOM 0 HZ1 LYS A 43 -10.738 0.815 0.375 1.00 1.19 H new ATOM 0 HZ2 LYS A 43 -9.390 0.360 -0.551 1.00 1.19 H new ATOM 0 HZ3 LYS A 43 -10.778 -0.619 -0.533 1.00 1.19 H new ATOM 640 N LEU A 44 -5.224 -2.574 1.441 1.00 0.37 N ATOM 641 CA LEU A 44 -4.543 -1.413 0.918 1.00 0.34 C ATOM 642 C LEU A 44 -5.161 -1.135 -0.430 1.00 0.32 C ATOM 643 O LEU A 44 -5.384 -2.087 -1.180 1.00 0.39 O ATOM 644 CB LEU A 44 -3.049 -1.722 0.714 1.00 0.39 C ATOM 645 CG LEU A 44 -2.060 -0.719 1.330 1.00 0.53 C ATOM 646 CD1 LEU A 44 -0.944 -0.402 0.342 1.00 0.48 C ATOM 647 CD2 LEU A 44 -2.628 0.626 1.785 1.00 1.13 C ATOM 0 H LEU A 44 -4.872 -3.460 1.079 1.00 0.37 H new ATOM 0 HA LEU A 44 -4.635 -0.569 1.601 1.00 0.34 H new ATOM 0 HB2 LEU A 44 -2.843 -2.708 1.131 1.00 0.39 H new ATOM 0 HB3 LEU A 44 -2.854 -1.782 -0.357 1.00 0.39 H new ATOM 0 HG LEU A 44 -1.723 -1.238 2.227 1.00 0.53 H new ATOM 0 HD11 LEU A 44 -0.251 0.309 0.792 1.00 0.48 H new ATOM 0 HD12 LEU A 44 -0.410 -1.318 0.090 1.00 0.48 H new ATOM 0 HD13 LEU A 44 -1.371 0.030 -0.563 1.00 0.48 H new ATOM 0 HD21 LEU A 44 -1.827 1.238 2.200 1.00 1.13 H new ATOM 0 HD22 LEU A 44 -3.073 1.140 0.933 1.00 1.13 H new ATOM 0 HD23 LEU A 44 -3.389 0.460 2.547 1.00 1.13 H new ATOM 659 N VAL A 45 -5.395 0.136 -0.759 1.00 0.29 N ATOM 660 CA VAL A 45 -5.576 0.532 -2.138 1.00 0.30 C ATOM 661 C VAL A 45 -4.617 1.659 -2.481 1.00 0.34 C ATOM 662 O VAL A 45 -4.326 2.498 -1.635 1.00 0.55 O ATOM 663 CB VAL A 45 -7.048 0.860 -2.404 1.00 0.34 C ATOM 664 CG1 VAL A 45 -7.260 1.679 -3.681 1.00 0.69 C ATOM 665 CG2 VAL A 45 -7.775 -0.465 -2.545 1.00 0.67 C ATOM 0 H VAL A 45 -5.462 0.899 -0.086 1.00 0.29 H new ATOM 0 HA VAL A 45 -5.329 -0.292 -2.807 1.00 0.30 H new ATOM 0 HB VAL A 45 -7.425 1.465 -1.579 1.00 0.34 H new ATOM 0 HG11 VAL A 45 -8.323 1.878 -3.813 1.00 0.69 H new ATOM 0 HG12 VAL A 45 -6.721 2.623 -3.602 1.00 0.69 H new ATOM 0 HG13 VAL A 45 -6.887 1.119 -4.538 1.00 0.69 H new ATOM 0 HG21 VAL A 45 -8.832 -0.281 -2.736 1.00 0.67 H new ATOM 0 HG22 VAL A 45 -7.348 -1.028 -3.375 1.00 0.67 H new ATOM 0 HG23 VAL A 45 -7.667 -1.039 -1.625 1.00 0.67 H new ATOM 675 N VAL A 46 -4.111 1.652 -3.714 1.00 0.25 N ATOM 676 CA VAL A 46 -3.234 2.656 -4.269 1.00 0.23 C ATOM 677 C VAL A 46 -3.796 2.996 -5.643 1.00 0.21 C ATOM 678 O VAL A 46 -4.001 2.096 -6.453 1.00 0.28 O ATOM 679 CB VAL A 46 -1.816 2.079 -4.349 1.00 0.29 C ATOM 680 CG1 VAL A 46 -0.886 3.015 -5.118 1.00 0.37 C ATOM 681 CG2 VAL A 46 -1.263 1.876 -2.938 1.00 0.31 C ATOM 0 H VAL A 46 -4.318 0.905 -4.377 1.00 0.25 H new ATOM 0 HA VAL A 46 -3.179 3.560 -3.662 1.00 0.23 H new ATOM 0 HB VAL A 46 -1.867 1.125 -4.874 1.00 0.29 H new ATOM 0 HG11 VAL A 46 0.113 2.582 -5.160 1.00 0.37 H new ATOM 0 HG12 VAL A 46 -1.264 3.153 -6.131 1.00 0.37 H new ATOM 0 HG13 VAL A 46 -0.842 3.980 -4.613 1.00 0.37 H new ATOM 0 HG21 VAL A 46 -0.255 1.466 -2.998 1.00 0.31 H new ATOM 0 HG22 VAL A 46 -1.235 2.833 -2.417 1.00 0.31 H new ATOM 0 HG23 VAL A 46 -1.904 1.184 -2.392 1.00 0.31 H new ATOM 691 N ASP A 47 -4.064 4.275 -5.889 1.00 0.22 N ATOM 692 CA ASP A 47 -4.643 4.774 -7.121 1.00 0.27 C ATOM 693 C ASP A 47 -3.539 5.575 -7.831 1.00 0.28 C ATOM 694 O ASP A 47 -3.242 6.720 -7.461 1.00 0.52 O ATOM 695 CB ASP A 47 -5.899 5.582 -6.766 1.00 0.49 C ATOM 696 CG ASP A 47 -7.064 4.721 -6.279 1.00 1.48 C ATOM 697 OD1 ASP A 47 -7.600 3.960 -7.112 1.00 2.07 O ATOM 698 OD2 ASP A 47 -7.413 4.845 -5.079 1.00 2.74 O ATOM 0 H ASP A 47 -3.876 5.013 -5.210 1.00 0.22 H new ATOM 0 HA ASP A 47 -4.974 3.995 -7.807 1.00 0.27 H new ATOM 0 HB2 ASP A 47 -5.647 6.308 -5.993 1.00 0.49 H new ATOM 0 HB3 ASP A 47 -6.217 6.147 -7.642 1.00 0.49 H new ATOM 703 N ALA A 48 -2.882 4.949 -8.816 1.00 0.29 N ATOM 704 CA ALA A 48 -1.653 5.436 -9.450 1.00 0.29 C ATOM 705 C ALA A 48 -1.785 5.364 -10.973 1.00 0.34 C ATOM 706 O ALA A 48 -2.347 4.402 -11.495 1.00 0.52 O ATOM 707 CB ALA A 48 -0.456 4.590 -8.991 1.00 0.32 C ATOM 0 H ALA A 48 -3.202 4.062 -9.205 1.00 0.29 H new ATOM 0 HA ALA A 48 -1.491 6.473 -9.156 1.00 0.29 H new ATOM 0 HB1 ALA A 48 0.453 4.958 -9.466 1.00 0.32 H new ATOM 0 HB2 ALA A 48 -0.354 4.661 -7.908 1.00 0.32 H new ATOM 0 HB3 ALA A 48 -0.617 3.549 -9.272 1.00 0.32 H new ATOM 713 N ASP A 49 -1.233 6.341 -11.696 1.00 0.33 N ATOM 714 CA ASP A 49 -1.410 6.426 -13.147 1.00 0.45 C ATOM 715 C ASP A 49 -0.156 5.908 -13.847 1.00 0.43 C ATOM 716 O ASP A 49 0.477 6.624 -14.617 1.00 0.63 O ATOM 717 CB ASP A 49 -1.782 7.863 -13.555 1.00 0.73 C ATOM 718 CG ASP A 49 -3.268 8.138 -13.371 1.00 1.01 C ATOM 719 OD1 ASP A 49 -3.806 7.657 -12.351 1.00 2.02 O ATOM 720 OD2 ASP A 49 -3.859 8.786 -14.261 1.00 1.81 O ATOM 0 H ASP A 49 -0.659 7.085 -11.299 1.00 0.33 H new ATOM 0 HA ASP A 49 -2.238 5.792 -13.463 1.00 0.45 H new ATOM 0 HB2 ASP A 49 -1.205 8.570 -12.959 1.00 0.73 H new ATOM 0 HB3 ASP A 49 -1.509 8.027 -14.597 1.00 0.73 H new ATOM 725 N ASN A 50 0.198 4.643 -13.576 1.00 0.34 N ATOM 726 CA ASN A 50 1.334 3.966 -14.222 1.00 0.53 C ATOM 727 C ASN A 50 1.450 2.464 -13.909 1.00 0.83 C ATOM 728 O ASN A 50 1.920 1.715 -14.762 1.00 2.75 O ATOM 729 CB ASN A 50 2.680 4.674 -13.958 1.00 0.57 C ATOM 730 CG ASN A 50 3.204 4.559 -12.530 1.00 0.48 C ATOM 731 OD1 ASN A 50 4.406 4.444 -12.324 1.00 1.51 O ATOM 732 ND2 ASN A 50 2.337 4.633 -11.522 1.00 0.65 N ATOM 0 H ASN A 50 -0.296 4.059 -12.901 1.00 0.34 H new ATOM 0 HA ASN A 50 1.105 4.041 -15.285 1.00 0.53 H new ATOM 0 HB2 ASN A 50 3.428 4.264 -14.637 1.00 0.57 H new ATOM 0 HB3 ASN A 50 2.571 5.730 -14.204 1.00 0.57 H new ATOM 0 HD21 ASN A 50 2.670 4.594 -10.559 1.00 0.65 H new ATOM 0 HD22 ASN A 50 1.340 4.729 -11.713 1.00 0.65 H new ATOM 739 N ASP A 51 1.046 2.042 -12.705 1.00 1.23 N ATOM 740 CA ASP A 51 1.308 0.742 -12.077 1.00 1.03 C ATOM 741 C ASP A 51 2.719 0.711 -11.507 1.00 0.72 C ATOM 742 O ASP A 51 3.692 1.018 -12.193 1.00 0.91 O ATOM 743 CB ASP A 51 1.042 -0.505 -12.937 1.00 1.28 C ATOM 744 CG ASP A 51 1.039 -1.772 -12.074 1.00 2.21 C ATOM 745 OD1 ASP A 51 2.037 -2.018 -11.361 1.00 3.12 O ATOM 746 OD2 ASP A 51 0.012 -2.486 -12.092 1.00 3.12 O ATOM 0 H ASP A 51 0.487 2.644 -12.100 1.00 1.23 H new ATOM 0 HA ASP A 51 0.563 0.671 -11.284 1.00 1.03 H new ATOM 0 HB2 ASP A 51 0.083 -0.404 -13.445 1.00 1.28 H new ATOM 0 HB3 ASP A 51 1.806 -0.588 -13.710 1.00 1.28 H new ATOM 751 N ILE A 52 2.794 0.357 -10.227 1.00 0.42 N ATOM 752 CA ILE A 52 4.012 0.230 -9.457 1.00 0.28 C ATOM 753 C ILE A 52 3.797 -0.858 -8.402 1.00 0.28 C ATOM 754 O ILE A 52 4.343 -0.763 -7.304 1.00 0.32 O ATOM 755 CB ILE A 52 4.361 1.599 -8.828 1.00 0.38 C ATOM 756 CG1 ILE A 52 3.136 2.415 -8.378 1.00 0.46 C ATOM 757 CG2 ILE A 52 5.143 2.452 -9.824 1.00 0.50 C ATOM 758 CD1 ILE A 52 2.177 1.677 -7.443 1.00 0.43 C ATOM 0 H ILE A 52 1.962 0.142 -9.678 1.00 0.42 H new ATOM 0 HA ILE A 52 4.854 -0.062 -10.084 1.00 0.28 H new ATOM 0 HB ILE A 52 4.950 1.364 -7.942 1.00 0.38 H new ATOM 0 HG12 ILE A 52 3.484 3.319 -7.878 1.00 0.46 H new ATOM 0 HG13 ILE A 52 2.585 2.733 -9.263 1.00 0.46 H new ATOM 0 HG21 ILE A 52 5.383 3.413 -9.370 1.00 0.50 H new ATOM 0 HG22 ILE A 52 6.065 1.939 -10.097 1.00 0.50 H new ATOM 0 HG23 ILE A 52 4.540 2.613 -10.717 1.00 0.50 H new ATOM 0 HD11 ILE A 52 1.347 2.333 -7.182 1.00 0.43 H new ATOM 0 HD12 ILE A 52 1.793 0.788 -7.943 1.00 0.43 H new ATOM 0 HD13 ILE A 52 2.707 1.383 -6.537 1.00 0.43 H new ATOM 770 N ARG A 53 2.988 -1.887 -8.688 1.00 0.30 N ATOM 771 CA ARG A 53 2.533 -2.767 -7.607 1.00 0.35 C ATOM 772 C ARG A 53 3.688 -3.447 -6.908 1.00 0.31 C ATOM 773 O ARG A 53 3.768 -3.399 -5.686 1.00 0.31 O ATOM 774 CB ARG A 53 1.541 -3.829 -8.070 1.00 0.41 C ATOM 775 CG ARG A 53 0.344 -3.117 -8.669 1.00 0.41 C ATOM 776 CD ARG A 53 -0.853 -4.035 -8.896 1.00 0.49 C ATOM 777 NE ARG A 53 -0.494 -5.414 -9.250 1.00 0.78 N ATOM 778 CZ ARG A 53 -0.298 -5.871 -10.497 1.00 1.73 C ATOM 779 NH1 ARG A 53 -0.197 -5.034 -11.538 1.00 2.75 N ATOM 780 NH2 ARG A 53 -0.210 -7.191 -10.699 1.00 2.20 N ATOM 0 H ARG A 53 2.647 -2.124 -9.620 1.00 0.30 H new ATOM 0 HA ARG A 53 2.020 -2.107 -6.908 1.00 0.35 H new ATOM 0 HB2 ARG A 53 2.002 -4.487 -8.807 1.00 0.41 H new ATOM 0 HB3 ARG A 53 1.233 -4.455 -7.232 1.00 0.41 H new ATOM 0 HG2 ARG A 53 0.048 -2.301 -8.009 1.00 0.41 H new ATOM 0 HG3 ARG A 53 0.635 -2.669 -9.619 1.00 0.41 H new ATOM 0 HD2 ARG A 53 -1.462 -4.050 -7.992 1.00 0.49 H new ATOM 0 HD3 ARG A 53 -1.472 -3.617 -9.690 1.00 0.49 H new ATOM 0 HE ARG A 53 -0.384 -6.080 -8.485 1.00 0.78 H new ATOM 0 HH11 ARG A 53 -0.269 -4.027 -11.392 1.00 2.75 H new ATOM 0 HH12 ARG A 53 -0.048 -5.404 -12.477 1.00 2.75 H new ATOM 0 HH21 ARG A 53 -0.292 -7.834 -9.911 1.00 2.20 H new ATOM 0 HH22 ARG A 53 -0.061 -7.554 -11.641 1.00 2.20 H new ATOM 794 N ALA A 54 4.591 -4.038 -7.689 1.00 0.30 N ATOM 795 CA ALA A 54 5.812 -4.629 -7.167 1.00 0.30 C ATOM 796 C ALA A 54 6.614 -3.598 -6.369 1.00 0.27 C ATOM 797 O ALA A 54 7.311 -3.939 -5.415 1.00 0.27 O ATOM 798 CB ALA A 54 6.641 -5.175 -8.332 1.00 0.36 C ATOM 0 H ALA A 54 4.492 -4.118 -8.701 1.00 0.30 H new ATOM 0 HA ALA A 54 5.557 -5.445 -6.491 1.00 0.30 H new ATOM 0 HB1 ALA A 54 7.559 -5.620 -7.948 1.00 0.36 H new ATOM 0 HB2 ALA A 54 6.066 -5.932 -8.865 1.00 0.36 H new ATOM 0 HB3 ALA A 54 6.890 -4.362 -9.014 1.00 0.36 H new ATOM 804 N GLN A 55 6.536 -2.321 -6.754 1.00 0.26 N ATOM 805 CA GLN A 55 7.368 -1.303 -6.140 1.00 0.29 C ATOM 806 C GLN A 55 6.795 -0.930 -4.778 1.00 0.31 C ATOM 807 O GLN A 55 7.520 -0.869 -3.782 1.00 0.32 O ATOM 808 CB GLN A 55 7.554 -0.123 -7.105 1.00 0.38 C ATOM 809 CG GLN A 55 8.956 0.491 -6.990 1.00 0.49 C ATOM 810 CD GLN A 55 9.183 1.601 -8.014 1.00 1.16 C ATOM 811 OE1 GLN A 55 9.396 2.755 -7.658 1.00 2.64 O ATOM 812 NE2 GLN A 55 9.148 1.267 -9.301 1.00 0.88 N ATOM 0 H GLN A 55 5.909 -1.978 -7.482 1.00 0.26 H new ATOM 0 HA GLN A 55 8.372 -1.681 -5.949 1.00 0.29 H new ATOM 0 HB2 GLN A 55 7.388 -0.460 -8.128 1.00 0.38 H new ATOM 0 HB3 GLN A 55 6.805 0.640 -6.895 1.00 0.38 H new ATOM 0 HG2 GLN A 55 9.095 0.891 -5.986 1.00 0.49 H new ATOM 0 HG3 GLN A 55 9.705 -0.288 -7.129 1.00 0.49 H new ATOM 0 HE21 GLN A 55 8.969 0.300 -9.572 1.00 0.88 H new ATOM 0 HE22 GLN A 55 9.300 1.978 -10.017 1.00 0.88 H new ATOM 821 N VAL A 56 5.476 -0.738 -4.720 1.00 0.33 N ATOM 822 CA VAL A 56 4.816 -0.477 -3.460 1.00 0.33 C ATOM 823 C VAL A 56 4.937 -1.711 -2.565 1.00 0.27 C ATOM 824 O VAL A 56 5.266 -1.590 -1.388 1.00 0.25 O ATOM 825 CB VAL A 56 3.359 -0.091 -3.725 1.00 0.43 C ATOM 826 CG1 VAL A 56 2.577 -0.212 -2.418 1.00 0.45 C ATOM 827 CG2 VAL A 56 3.310 1.380 -4.152 1.00 0.63 C ATOM 0 H VAL A 56 4.856 -0.760 -5.530 1.00 0.33 H new ATOM 0 HA VAL A 56 5.288 0.356 -2.940 1.00 0.33 H new ATOM 0 HB VAL A 56 2.939 -0.737 -4.496 1.00 0.43 H new ATOM 0 HG11 VAL A 56 1.536 0.060 -2.591 1.00 0.45 H new ATOM 0 HG12 VAL A 56 2.629 -1.239 -2.057 1.00 0.45 H new ATOM 0 HG13 VAL A 56 3.008 0.457 -1.673 1.00 0.45 H new ATOM 0 HG21 VAL A 56 2.277 1.669 -4.344 1.00 0.63 H new ATOM 0 HG22 VAL A 56 3.719 2.003 -3.357 1.00 0.63 H new ATOM 0 HG23 VAL A 56 3.899 1.515 -5.059 1.00 0.63 H new ATOM 837 N GLU A 57 4.661 -2.898 -3.113 1.00 0.30 N ATOM 838 CA GLU A 57 4.836 -4.146 -2.391 1.00 0.25 C ATOM 839 C GLU A 57 6.223 -4.210 -1.775 1.00 0.22 C ATOM 840 O GLU A 57 6.311 -4.339 -0.561 1.00 0.24 O ATOM 841 CB GLU A 57 4.466 -5.355 -3.252 1.00 0.28 C ATOM 842 CG GLU A 57 5.044 -6.704 -2.805 1.00 0.35 C ATOM 843 CD GLU A 57 6.457 -6.945 -3.319 1.00 1.92 C ATOM 844 OE1 GLU A 57 6.617 -6.919 -4.558 1.00 2.83 O ATOM 845 OE2 GLU A 57 7.345 -7.139 -2.463 1.00 3.24 O ATOM 0 H GLU A 57 4.312 -3.013 -4.065 1.00 0.30 H new ATOM 0 HA GLU A 57 4.135 -4.180 -1.557 1.00 0.25 H new ATOM 0 HB2 GLU A 57 3.380 -5.439 -3.277 1.00 0.28 H new ATOM 0 HB3 GLU A 57 4.795 -5.162 -4.273 1.00 0.28 H new ATOM 0 HG2 GLU A 57 5.047 -6.749 -1.716 1.00 0.35 H new ATOM 0 HG3 GLU A 57 4.394 -7.506 -3.156 1.00 0.35 H new ATOM 852 N SER A 58 7.283 -4.047 -2.570 1.00 0.24 N ATOM 853 CA SER A 58 8.646 -4.072 -2.056 1.00 0.26 C ATOM 854 C SER A 58 8.778 -3.139 -0.846 1.00 0.26 C ATOM 855 O SER A 58 9.277 -3.533 0.210 1.00 0.30 O ATOM 856 CB SER A 58 9.621 -3.712 -3.185 1.00 0.30 C ATOM 857 OG SER A 58 10.961 -3.902 -2.773 1.00 0.57 O ATOM 0 H SER A 58 7.218 -3.896 -3.577 1.00 0.24 H new ATOM 0 HA SER A 58 8.895 -5.074 -1.707 1.00 0.26 H new ATOM 0 HB2 SER A 58 9.414 -4.328 -4.060 1.00 0.30 H new ATOM 0 HB3 SER A 58 9.471 -2.674 -3.483 1.00 0.30 H new ATOM 0 HG SER A 58 11.566 -3.668 -3.508 1.00 0.57 H new ATOM 863 N ALA A 59 8.277 -1.907 -0.978 1.00 0.26 N ATOM 864 CA ALA A 59 8.293 -0.931 0.102 1.00 0.26 C ATOM 865 C ALA A 59 7.542 -1.421 1.346 1.00 0.25 C ATOM 866 O ALA A 59 8.062 -1.322 2.453 1.00 0.29 O ATOM 867 CB ALA A 59 7.702 0.386 -0.391 1.00 0.29 C ATOM 0 H ALA A 59 7.850 -1.564 -1.839 1.00 0.26 H new ATOM 0 HA ALA A 59 9.331 -0.783 0.399 1.00 0.26 H new ATOM 0 HB1 ALA A 59 7.714 1.116 0.418 1.00 0.29 H new ATOM 0 HB2 ALA A 59 8.294 0.760 -1.226 1.00 0.29 H new ATOM 0 HB3 ALA A 59 6.675 0.224 -0.718 1.00 0.29 H new ATOM 873 N LEU A 60 6.315 -1.925 1.192 1.00 0.23 N ATOM 874 CA LEU A 60 5.488 -2.374 2.305 1.00 0.27 C ATOM 875 C LEU A 60 6.131 -3.574 2.984 1.00 0.29 C ATOM 876 O LEU A 60 6.170 -3.671 4.212 1.00 0.35 O ATOM 877 CB LEU A 60 4.102 -2.758 1.782 1.00 0.25 C ATOM 878 CG LEU A 60 3.255 -1.537 1.447 1.00 0.41 C ATOM 879 CD1 LEU A 60 2.172 -1.897 0.433 1.00 1.03 C ATOM 880 CD2 LEU A 60 2.605 -0.972 2.710 1.00 0.92 C ATOM 0 H LEU A 60 5.868 -2.032 0.282 1.00 0.23 H new ATOM 0 HA LEU A 60 5.395 -1.567 3.032 1.00 0.27 H new ATOM 0 HB2 LEU A 60 4.210 -3.378 0.892 1.00 0.25 H new ATOM 0 HB3 LEU A 60 3.587 -3.361 2.530 1.00 0.25 H new ATOM 0 HG LEU A 60 3.910 -0.781 1.015 1.00 0.41 H new ATOM 0 HD11 LEU A 60 1.577 -1.012 0.206 1.00 1.03 H new ATOM 0 HD12 LEU A 60 2.637 -2.265 -0.481 1.00 1.03 H new ATOM 0 HD13 LEU A 60 1.527 -2.671 0.849 1.00 1.03 H new ATOM 0 HD21 LEU A 60 2.004 -0.100 2.451 1.00 0.92 H new ATOM 0 HD22 LEU A 60 1.967 -1.732 3.162 1.00 0.92 H new ATOM 0 HD23 LEU A 60 3.380 -0.681 3.419 1.00 0.92 H new ATOM 892 N GLN A 61 6.645 -4.492 2.172 1.00 0.28 N ATOM 893 CA GLN A 61 7.369 -5.640 2.684 1.00 0.37 C ATOM 894 C GLN A 61 8.538 -5.152 3.529 1.00 0.40 C ATOM 895 O GLN A 61 8.645 -5.511 4.701 1.00 0.51 O ATOM 896 CB GLN A 61 7.775 -6.592 1.548 1.00 0.42 C ATOM 897 CG GLN A 61 7.265 -8.014 1.827 1.00 0.63 C ATOM 898 CD GLN A 61 7.108 -8.832 0.552 1.00 0.91 C ATOM 899 OE1 GLN A 61 8.033 -9.510 0.120 1.00 2.16 O ATOM 900 NE2 GLN A 61 5.910 -8.802 -0.025 1.00 0.64 N ATOM 0 H GLN A 61 6.571 -4.459 1.155 1.00 0.28 H new ATOM 0 HA GLN A 61 6.726 -6.235 3.333 1.00 0.37 H new ATOM 0 HB2 GLN A 61 7.369 -6.233 0.602 1.00 0.42 H new ATOM 0 HB3 GLN A 61 8.860 -6.602 1.445 1.00 0.42 H new ATOM 0 HG2 GLN A 61 7.958 -8.521 2.498 1.00 0.63 H new ATOM 0 HG3 GLN A 61 6.306 -7.959 2.341 1.00 0.63 H new ATOM 0 HE21 GLN A 61 5.169 -8.223 0.369 1.00 0.64 H new ATOM 0 HE22 GLN A 61 5.733 -9.358 -0.861 1.00 0.64 H new ATOM 909 N LYS A 62 9.362 -4.261 2.969 1.00 0.36 N ATOM 910 CA LYS A 62 10.473 -3.676 3.700 1.00 0.41 C ATOM 911 C LYS A 62 9.988 -2.994 4.991 1.00 0.41 C ATOM 912 O LYS A 62 10.625 -3.106 6.037 1.00 0.47 O ATOM 913 CB LYS A 62 11.218 -2.686 2.794 1.00 0.55 C ATOM 914 CG LYS A 62 12.576 -2.280 3.385 1.00 1.35 C ATOM 915 CD LYS A 62 12.849 -0.802 3.076 1.00 1.86 C ATOM 916 CE LYS A 62 14.191 -0.325 3.648 1.00 3.03 C ATOM 917 NZ LYS A 62 15.347 -0.892 2.923 1.00 3.84 N ATOM 0 H LYS A 62 9.274 -3.933 2.007 1.00 0.36 H new ATOM 0 HA LYS A 62 11.161 -4.469 3.994 1.00 0.41 H new ATOM 0 HB2 LYS A 62 11.369 -3.135 1.812 1.00 0.55 H new ATOM 0 HB3 LYS A 62 10.605 -1.797 2.647 1.00 0.55 H new ATOM 0 HG2 LYS A 62 12.579 -2.443 4.463 1.00 1.35 H new ATOM 0 HG3 LYS A 62 13.367 -2.902 2.966 1.00 1.35 H new ATOM 0 HD2 LYS A 62 12.843 -0.652 1.996 1.00 1.86 H new ATOM 0 HD3 LYS A 62 12.044 -0.193 3.487 1.00 1.86 H new ATOM 0 HE2 LYS A 62 14.236 0.763 3.603 1.00 3.03 H new ATOM 0 HE3 LYS A 62 14.254 -0.603 4.700 1.00 3.03 H new ATOM 0 HZ1 LYS A 62 16.229 -0.540 3.347 1.00 3.84 H new ATOM 0 HZ2 LYS A 62 15.322 -1.930 2.987 1.00 3.84 H new ATOM 0 HZ3 LYS A 62 15.305 -0.606 1.924 1.00 3.84 H new ATOM 931 N ALA A 63 8.866 -2.272 4.914 1.00 0.39 N ATOM 932 CA ALA A 63 8.242 -1.569 6.030 1.00 0.44 C ATOM 933 C ALA A 63 7.762 -2.513 7.137 1.00 0.54 C ATOM 934 O ALA A 63 7.498 -2.040 8.251 1.00 0.94 O ATOM 935 CB ALA A 63 7.088 -0.704 5.523 1.00 0.41 C ATOM 0 H ALA A 63 8.352 -2.159 4.040 1.00 0.39 H new ATOM 0 HA ALA A 63 9.007 -0.934 6.476 1.00 0.44 H new ATOM 0 HB1 ALA A 63 6.628 -0.183 6.362 1.00 0.41 H new ATOM 0 HB2 ALA A 63 7.467 0.025 4.807 1.00 0.41 H new ATOM 0 HB3 ALA A 63 6.345 -1.337 5.038 1.00 0.41 H new ATOM 941 N GLY A 64 7.627 -3.808 6.825 1.00 0.36 N ATOM 942 CA GLY A 64 7.460 -4.885 7.786 1.00 0.41 C ATOM 943 C GLY A 64 6.043 -5.446 7.787 1.00 0.40 C ATOM 944 O GLY A 64 5.475 -5.643 8.859 1.00 0.51 O ATOM 0 H GLY A 64 7.632 -4.138 5.860 1.00 0.36 H new ATOM 0 HA2 GLY A 64 8.165 -5.685 7.558 1.00 0.41 H new ATOM 0 HA3 GLY A 64 7.704 -4.520 8.784 1.00 0.41 H new ATOM 948 N TYR A 65 5.476 -5.724 6.607 1.00 0.36 N ATOM 949 CA TYR A 65 4.169 -6.366 6.483 1.00 0.43 C ATOM 950 C TYR A 65 4.229 -7.486 5.443 1.00 0.45 C ATOM 951 O TYR A 65 5.060 -7.445 4.543 1.00 0.81 O ATOM 952 CB TYR A 65 3.103 -5.332 6.091 1.00 0.53 C ATOM 953 CG TYR A 65 3.198 -4.001 6.815 1.00 0.53 C ATOM 954 CD1 TYR A 65 2.961 -3.930 8.200 1.00 1.94 C ATOM 955 CD2 TYR A 65 3.636 -2.856 6.123 1.00 1.84 C ATOM 956 CE1 TYR A 65 3.206 -2.733 8.895 1.00 1.89 C ATOM 957 CE2 TYR A 65 3.883 -1.662 6.818 1.00 1.95 C ATOM 958 CZ TYR A 65 3.690 -1.607 8.206 1.00 0.73 C ATOM 959 OH TYR A 65 4.018 -0.471 8.889 1.00 0.92 O ATOM 0 H TYR A 65 5.914 -5.508 5.712 1.00 0.36 H new ATOM 0 HA TYR A 65 3.898 -6.797 7.447 1.00 0.43 H new ATOM 0 HB2 TYR A 65 3.173 -5.150 5.019 1.00 0.53 H new ATOM 0 HB3 TYR A 65 2.118 -5.760 6.278 1.00 0.53 H new ATOM 0 HD1 TYR A 65 2.591 -4.795 8.729 1.00 1.94 H new ATOM 0 HD2 TYR A 65 3.782 -2.897 5.054 1.00 1.84 H new ATOM 0 HE1 TYR A 65 3.023 -2.678 9.958 1.00 1.89 H new ATOM 0 HE2 TYR A 65 4.221 -0.786 6.284 1.00 1.95 H new ATOM 0 HH TYR A 65 3.589 -0.483 9.770 1.00 0.92 H new ATOM 969 N SER A 66 3.329 -8.468 5.542 1.00 0.47 N ATOM 970 CA SER A 66 3.107 -9.463 4.504 1.00 0.43 C ATOM 971 C SER A 66 1.813 -9.076 3.801 1.00 0.36 C ATOM 972 O SER A 66 0.771 -9.023 4.457 1.00 0.54 O ATOM 973 CB SER A 66 2.980 -10.854 5.131 1.00 0.54 C ATOM 974 OG SER A 66 4.155 -11.165 5.851 1.00 1.63 O ATOM 0 H SER A 66 2.729 -8.591 6.358 1.00 0.47 H new ATOM 0 HA SER A 66 3.938 -9.494 3.800 1.00 0.43 H new ATOM 0 HB2 SER A 66 2.117 -10.886 5.796 1.00 0.54 H new ATOM 0 HB3 SER A 66 2.811 -11.599 4.354 1.00 0.54 H new ATOM 0 HG SER A 66 4.067 -12.055 6.251 1.00 1.63 H new ATOM 980 N LEU A 67 1.887 -8.791 2.500 1.00 0.31 N ATOM 981 CA LEU A 67 0.734 -8.569 1.645 1.00 0.31 C ATOM 982 C LEU A 67 0.649 -9.682 0.615 1.00 0.38 C ATOM 983 O LEU A 67 1.550 -10.515 0.520 1.00 0.46 O ATOM 984 CB LEU A 67 0.772 -7.169 1.008 1.00 0.31 C ATOM 985 CG LEU A 67 2.015 -6.852 0.179 1.00 0.42 C ATOM 986 CD1 LEU A 67 2.009 -7.577 -1.171 1.00 0.88 C ATOM 987 CD2 LEU A 67 2.109 -5.339 0.000 1.00 0.85 C ATOM 0 H LEU A 67 2.775 -8.708 2.005 1.00 0.31 H new ATOM 0 HA LEU A 67 -0.175 -8.598 2.245 1.00 0.31 H new ATOM 0 HB2 LEU A 67 -0.105 -7.056 0.371 1.00 0.31 H new ATOM 0 HB3 LEU A 67 0.688 -6.426 1.802 1.00 0.31 H new ATOM 0 HG LEU A 67 2.896 -7.214 0.710 1.00 0.42 H new ATOM 0 HD11 LEU A 67 2.912 -7.321 -1.725 1.00 0.88 H new ATOM 0 HD12 LEU A 67 1.978 -8.654 -1.006 1.00 0.88 H new ATOM 0 HD13 LEU A 67 1.133 -7.272 -1.744 1.00 0.88 H new ATOM 0 HD21 LEU A 67 2.993 -5.097 -0.591 1.00 0.85 H new ATOM 0 HD22 LEU A 67 1.218 -4.977 -0.514 1.00 0.85 H new ATOM 0 HD23 LEU A 67 2.183 -4.861 0.977 1.00 0.85 H new ATOM 999 N ARG A 68 -0.429 -9.676 -0.165 1.00 0.48 N ATOM 1000 CA ARG A 68 -0.561 -10.458 -1.373 1.00 0.57 C ATOM 1001 C ARG A 68 -1.113 -9.500 -2.411 1.00 0.62 C ATOM 1002 O ARG A 68 -1.965 -8.667 -2.083 1.00 0.93 O ATOM 1003 CB ARG A 68 -1.474 -11.665 -1.136 1.00 0.70 C ATOM 1004 CG ARG A 68 -0.829 -12.558 -0.069 1.00 0.46 C ATOM 1005 CD ARG A 68 -1.437 -13.960 0.003 1.00 1.03 C ATOM 1006 NE ARG A 68 -0.590 -14.823 0.843 1.00 1.59 N ATOM 1007 CZ ARG A 68 -0.772 -16.138 1.040 1.00 2.56 C ATOM 1008 NH1 ARG A 68 -1.853 -16.740 0.537 1.00 3.36 N ATOM 1009 NH2 ARG A 68 0.130 -16.840 1.736 1.00 3.25 N ATOM 0 H ARG A 68 -1.252 -9.109 0.039 1.00 0.48 H new ATOM 0 HA ARG A 68 0.387 -10.878 -1.707 1.00 0.57 H new ATOM 0 HB2 ARG A 68 -2.460 -11.336 -0.809 1.00 0.70 H new ATOM 0 HB3 ARG A 68 -1.614 -12.222 -2.062 1.00 0.70 H new ATOM 0 HG2 ARG A 68 0.238 -12.644 -0.275 1.00 0.46 H new ATOM 0 HG3 ARG A 68 -0.928 -12.077 0.904 1.00 0.46 H new ATOM 0 HD2 ARG A 68 -2.445 -13.910 0.416 1.00 1.03 H new ATOM 0 HD3 ARG A 68 -1.523 -14.382 -0.998 1.00 1.03 H new ATOM 0 HE ARG A 68 0.201 -14.385 1.315 1.00 1.59 H new ATOM 0 HH11 ARG A 68 -2.536 -16.200 0.006 1.00 3.36 H new ATOM 0 HH12 ARG A 68 -1.995 -17.739 0.684 1.00 3.36 H new ATOM 0 HH21 ARG A 68 0.955 -16.376 2.116 1.00 3.25 H new ATOM 0 HH22 ARG A 68 -0.007 -17.839 1.886 1.00 3.25 H new ATOM 1023 N ASP A 69 -0.566 -9.578 -3.622 1.00 0.62 N ATOM 1024 CA ASP A 69 -0.940 -8.758 -4.738 1.00 0.65 C ATOM 1025 C ASP A 69 -2.338 -9.159 -5.163 1.00 0.61 C ATOM 1026 O ASP A 69 -2.620 -10.314 -5.471 1.00 0.92 O ATOM 1027 CB ASP A 69 0.053 -8.920 -5.891 1.00 0.83 C ATOM 1028 CG ASP A 69 0.288 -10.367 -6.310 1.00 2.04 C ATOM 1029 OD1 ASP A 69 0.585 -11.173 -5.396 1.00 3.26 O ATOM 1030 OD2 ASP A 69 0.205 -10.620 -7.531 1.00 2.69 O ATOM 0 H ASP A 69 0.175 -10.242 -3.846 1.00 0.62 H new ATOM 0 HA ASP A 69 -0.925 -7.706 -4.452 1.00 0.65 H new ATOM 0 HB2 ASP A 69 -0.311 -8.358 -6.751 1.00 0.83 H new ATOM 0 HB3 ASP A 69 1.006 -8.477 -5.601 1.00 0.83 H new ATOM 1035 N GLU A 70 -3.220 -8.174 -5.111 1.00 0.50 N ATOM 1036 CA GLU A 70 -4.611 -8.339 -5.459 1.00 0.49 C ATOM 1037 C GLU A 70 -4.818 -7.984 -6.930 1.00 0.57 C ATOM 1038 O GLU A 70 -3.894 -7.548 -7.621 1.00 0.79 O ATOM 1039 CB GLU A 70 -5.442 -7.448 -4.531 1.00 0.61 C ATOM 1040 CG GLU A 70 -6.563 -8.150 -3.793 1.00 0.67 C ATOM 1041 CD GLU A 70 -7.819 -8.171 -4.633 1.00 1.58 C ATOM 1042 OE1 GLU A 70 -7.863 -9.030 -5.537 1.00 2.54 O ATOM 1043 OE2 GLU A 70 -8.675 -7.282 -4.423 1.00 2.81 O ATOM 0 H GLU A 70 -2.980 -7.226 -4.821 1.00 0.50 H new ATOM 0 HA GLU A 70 -4.929 -9.373 -5.330 1.00 0.49 H new ATOM 0 HB2 GLU A 70 -4.775 -6.993 -3.798 1.00 0.61 H new ATOM 0 HB3 GLU A 70 -5.869 -6.636 -5.120 1.00 0.61 H new ATOM 0 HG2 GLU A 70 -6.264 -9.170 -3.550 1.00 0.67 H new ATOM 0 HG3 GLU A 70 -6.759 -7.642 -2.849 1.00 0.67 H new ATOM 1050 N GLN A 71 -6.059 -8.121 -7.388 1.00 0.56 N ATOM 1051 CA GLN A 71 -6.498 -7.526 -8.636 1.00 0.56 C ATOM 1052 C GLN A 71 -6.261 -6.010 -8.619 1.00 0.63 C ATOM 1053 O GLN A 71 -6.117 -5.389 -7.561 1.00 0.79 O ATOM 1054 CB GLN A 71 -7.981 -7.858 -8.857 1.00 0.76 C ATOM 1055 CG GLN A 71 -8.893 -7.065 -7.908 1.00 2.13 C ATOM 1056 CD GLN A 71 -10.204 -7.788 -7.616 1.00 2.97 C ATOM 1057 OE1 GLN A 71 -10.901 -8.219 -8.527 1.00 3.48 O ATOM 1058 NE2 GLN A 71 -10.555 -7.930 -6.341 1.00 3.75 N ATOM 0 H GLN A 71 -6.784 -8.648 -6.901 1.00 0.56 H new ATOM 0 HA GLN A 71 -5.920 -7.937 -9.463 1.00 0.56 H new ATOM 0 HB2 GLN A 71 -8.252 -7.638 -9.890 1.00 0.76 H new ATOM 0 HB3 GLN A 71 -8.140 -8.926 -8.706 1.00 0.76 H new ATOM 0 HG2 GLN A 71 -8.366 -6.883 -6.971 1.00 2.13 H new ATOM 0 HG3 GLN A 71 -9.109 -6.091 -8.347 1.00 2.13 H new ATOM 0 HE21 GLN A 71 -9.955 -7.561 -5.603 1.00 3.75 H new ATOM 0 HE22 GLN A 71 -11.424 -8.408 -6.101 1.00 3.75 H new ATOM 1067 N ALA A 72 -6.278 -5.402 -9.804 1.00 0.71 N ATOM 1068 CA ALA A 72 -6.307 -3.955 -9.921 1.00 0.80 C ATOM 1069 C ALA A 72 -7.629 -3.448 -9.330 1.00 0.89 C ATOM 1070 O ALA A 72 -7.666 -2.751 -8.314 1.00 1.73 O ATOM 1071 CB ALA A 72 -6.136 -3.574 -11.397 1.00 0.86 C ATOM 0 H ALA A 72 -6.272 -5.896 -10.696 1.00 0.71 H new ATOM 0 HA ALA A 72 -5.492 -3.489 -9.367 1.00 0.80 H new ATOM 0 HB1 ALA A 72 -6.156 -2.489 -11.497 1.00 0.86 H new ATOM 0 HB2 ALA A 72 -5.182 -3.955 -11.763 1.00 0.86 H new ATOM 0 HB3 ALA A 72 -6.948 -4.008 -11.981 1.00 0.86 H new ATOM 1077 N ALA A 73 -8.727 -3.855 -9.965 1.00 1.23 N ATOM 1078 CA ALA A 73 -10.087 -3.483 -9.591 1.00 1.35 C ATOM 1079 C ALA A 73 -11.051 -4.581 -10.028 1.00 1.49 C ATOM 1080 O ALA A 73 -11.846 -5.067 -9.228 1.00 2.23 O ATOM 1081 CB ALA A 73 -10.454 -2.154 -10.256 1.00 1.63 C ATOM 0 H ALA A 73 -8.692 -4.471 -10.777 1.00 1.23 H new ATOM 0 HA ALA A 73 -10.154 -3.365 -8.509 1.00 1.35 H new ATOM 0 HB1 ALA A 73 -11.470 -1.876 -9.977 1.00 1.63 H new ATOM 0 HB2 ALA A 73 -9.762 -1.379 -9.926 1.00 1.63 H new ATOM 0 HB3 ALA A 73 -10.391 -2.260 -11.339 1.00 1.63 H new ATOM 1087 N GLU A 74 -10.947 -4.942 -11.305 1.00 2.67 N ATOM 1088 CA GLU A 74 -11.520 -6.089 -11.966 1.00 3.04 C ATOM 1089 C GLU A 74 -10.344 -6.600 -12.815 1.00 4.23 C ATOM 1090 O GLU A 74 -9.364 -5.815 -12.924 1.00 5.11 O ATOM 1091 CB GLU A 74 -12.719 -5.592 -12.793 1.00 4.20 C ATOM 1092 CG GLU A 74 -13.682 -6.693 -13.255 1.00 5.02 C ATOM 1093 CD GLU A 74 -14.869 -6.120 -14.027 1.00 6.50 C ATOM 1094 OE1 GLU A 74 -15.300 -5.000 -13.671 1.00 6.98 O ATOM 1095 OE2 GLU A 74 -15.335 -6.813 -14.957 1.00 7.65 O ATOM 1096 OXT GLU A 74 -10.411 -7.746 -13.306 1.00 4.99 O ATOM 0 H GLU A 74 -10.404 -4.376 -11.957 1.00 2.67 H new ATOM 0 HA GLU A 74 -11.907 -6.883 -11.328 1.00 3.04 H new ATOM 0 HB2 GLU A 74 -13.276 -4.867 -12.200 1.00 4.20 H new ATOM 0 HB3 GLU A 74 -12.344 -5.065 -13.670 1.00 4.20 H new ATOM 0 HG2 GLU A 74 -13.147 -7.403 -13.885 1.00 5.02 H new ATOM 0 HG3 GLU A 74 -14.045 -7.246 -12.389 1.00 5.02 H new TER 1103 GLU A 74