USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 682 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 76 GLN :FLIP amide:sc= -1.74 F(o=-5.3!,f=-2.6) USER MOD Set 1.2: A 82 LYS NZ :NH3+ -139:sc= -0.889 (180deg=-3.36!) USER MOD Set 2.1: A 66 GLN :FLIP amide:sc= -5.02! C(o=-10!,f=-5.4!) USER MOD Set 2.2: A 75 TYR OH : rot 30:sc= -0.335 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc=-0.00672 (180deg=-0.181) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN :FLIP amide:sc= -2.25! C(o=-3.3!,f=-2.3!) USER MOD Single : A 9 LYS NZ :NH3+ -127:sc= 0 (180deg=-1.13) USER MOD Single : A 10 SER OG : rot 103:sc= 0.334 USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN :FLIP amide:sc= -3.52! C(o=-7.5!,f=-3.5!) USER MOD Single : A 24 SER OG : rot 62:sc= 0.939 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0.317 (180deg=0.317) USER MOD Single : A 33 ASN : amide:sc= -0.22 X(o=-0.22,f=-0.076) USER MOD Single : A 40 GLN : amide:sc= -0.204 K(o=-0.2,f=-1.3) USER MOD Single : A 45 GLN :FLIP amide:sc= -0.0501 F(o=-1.3,f=-0.05) USER MOD Single : A 48 ASN : amide:sc= -0.0143 X(o=-0.014,f=-0.096) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl -157:sc= -0.191 (180deg=-0.894) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot -108:sc= -3.68! USER MOD Single : A 62 GLN : amide:sc= -1.49! C(o=-1.5!,f=-2.8!) USER MOD Single : A 64 SER OG : rot 70:sc= 0.66 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 168:sc= -0.0619 (180deg=-0.229) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.353 21.555 -0.522 1.00 5.05 N ATOM 2 CA MET A 1 0.523 20.149 -0.970 1.00 4.48 C ATOM 3 C MET A 1 0.026 19.173 0.092 1.00 3.42 C ATOM 4 O MET A 1 0.177 19.416 1.289 1.00 3.61 O ATOM 5 CB MET A 1 1.996 19.869 -1.281 1.00 5.23 C ATOM 6 CG MET A 1 2.557 20.736 -2.398 1.00 6.31 C ATOM 7 SD MET A 1 1.692 20.500 -3.963 1.00 7.31 S ATOM 8 CE MET A 1 2.598 21.625 -5.023 1.00 8.52 C ATOM 0 H1 MET A 1 0.521 22.197 -1.323 1.00 5.05 H new ATOM 0 H2 MET A 1 -0.614 21.691 -0.166 1.00 5.05 H new ATOM 0 H3 MET A 1 1.034 21.762 0.236 1.00 5.05 H new ATOM 0 HA MET A 1 -0.070 20.008 -1.874 1.00 4.48 H new ATOM 0 HB2 MET A 1 2.586 20.027 -0.378 1.00 5.23 H new ATOM 0 HB3 MET A 1 2.108 18.820 -1.555 1.00 5.23 H new ATOM 0 HG2 MET A 1 2.492 21.784 -2.106 1.00 6.31 H new ATOM 0 HG3 MET A 1 3.614 20.508 -2.534 1.00 6.31 H new ATOM 0 HE1 MET A 1 2.180 21.593 -6.029 1.00 8.52 H new ATOM 0 HE2 MET A 1 2.519 22.639 -4.630 1.00 8.52 H new ATOM 0 HE3 MET A 1 3.647 21.329 -5.056 1.00 8.52 H new ATOM 20 N TYR A 2 -0.567 18.070 -0.356 1.00 2.70 N ATOM 21 CA TYR A 2 -1.085 17.058 0.557 1.00 1.85 C ATOM 22 C TYR A 2 0.019 16.097 0.986 1.00 1.82 C ATOM 23 O TYR A 2 1.010 15.919 0.275 1.00 2.35 O ATOM 24 CB TYR A 2 -2.226 16.280 -0.101 1.00 1.95 C ATOM 25 CG TYR A 2 -3.438 17.126 -0.416 1.00 2.40 C ATOM 26 CD1 TYR A 2 -4.383 17.410 0.561 1.00 2.53 C ATOM 27 CD2 TYR A 2 -3.640 17.639 -1.692 1.00 3.13 C ATOM 28 CE1 TYR A 2 -5.497 18.179 0.277 1.00 3.20 C ATOM 29 CE2 TYR A 2 -4.749 18.411 -1.984 1.00 3.77 C ATOM 30 CZ TYR A 2 -5.674 18.678 -0.996 1.00 3.74 C ATOM 31 OH TYR A 2 -6.780 19.446 -1.283 1.00 4.51 O ATOM 0 H TYR A 2 -0.700 17.855 -1.344 1.00 2.70 H new ATOM 0 HA TYR A 2 -1.466 17.566 1.443 1.00 1.85 H new ATOM 0 HB2 TYR A 2 -1.861 15.827 -1.023 1.00 1.95 H new ATOM 0 HB3 TYR A 2 -2.525 15.465 0.558 1.00 1.95 H new ATOM 0 HD1 TYR A 2 -4.246 17.024 1.560 1.00 2.53 H new ATOM 0 HD2 TYR A 2 -2.919 17.431 -2.468 1.00 3.13 H new ATOM 0 HE1 TYR A 2 -6.224 18.387 1.048 1.00 3.20 H new ATOM 0 HE2 TYR A 2 -4.890 18.803 -2.980 1.00 3.77 H new ATOM 0 HH TYR A 2 -6.753 19.719 -2.224 1.00 4.51 H new ATOM 41 N ASP A 3 -0.155 15.479 2.151 1.00 1.62 N ATOM 42 CA ASP A 3 0.828 14.539 2.672 1.00 1.65 C ATOM 43 C ASP A 3 0.550 13.121 2.189 1.00 1.75 C ATOM 44 O ASP A 3 -0.498 12.848 1.603 1.00 2.10 O ATOM 45 CB ASP A 3 0.840 14.565 4.200 1.00 2.02 C ATOM 46 CG ASP A 3 1.341 15.886 4.753 1.00 2.83 C ATOM 47 OD1 ASP A 3 2.569 16.029 4.930 1.00 3.58 O ATOM 48 OD2 ASP A 3 0.502 16.777 5.011 1.00 2.96 O ATOM 0 H ASP A 3 -0.969 15.614 2.751 1.00 1.62 H new ATOM 0 HA ASP A 3 1.804 14.847 2.298 1.00 1.65 H new ATOM 0 HB2 ASP A 3 -0.167 14.378 4.572 1.00 2.02 H new ATOM 0 HB3 ASP A 3 1.471 13.757 4.569 1.00 2.02 H new ATOM 53 N TRP A 4 1.502 12.228 2.453 1.00 1.79 N ATOM 54 CA TRP A 4 1.399 10.827 2.063 1.00 2.23 C ATOM 55 C TRP A 4 2.699 10.093 2.359 1.00 2.33 C ATOM 56 O TRP A 4 3.773 10.696 2.358 1.00 2.91 O ATOM 57 CB TRP A 4 1.064 10.692 0.576 1.00 2.72 C ATOM 58 CG TRP A 4 0.061 9.615 0.307 1.00 2.37 C ATOM 59 CD1 TRP A 4 0.150 8.616 -0.618 1.00 2.53 C ATOM 60 CD2 TRP A 4 -1.184 9.428 0.983 1.00 2.23 C ATOM 61 NE1 TRP A 4 -0.968 7.821 -0.560 1.00 2.21 N ATOM 62 CE2 TRP A 4 -1.802 8.299 0.417 1.00 2.15 C ATOM 63 CE3 TRP A 4 -1.834 10.110 2.013 1.00 2.65 C ATOM 64 CZ2 TRP A 4 -3.044 7.837 0.851 1.00 2.51 C ATOM 65 CZ3 TRP A 4 -3.060 9.654 2.443 1.00 3.19 C ATOM 66 CH2 TRP A 4 -3.657 8.525 1.864 1.00 3.13 C ATOM 0 H TRP A 4 2.366 12.458 2.944 1.00 1.79 H new ATOM 0 HA TRP A 4 0.593 10.381 2.645 1.00 2.23 H new ATOM 0 HB2 TRP A 4 0.679 11.642 0.207 1.00 2.72 H new ATOM 0 HB3 TRP A 4 1.977 10.480 0.020 1.00 2.72 H new ATOM 0 HD1 TRP A 4 0.978 8.472 -1.296 1.00 2.53 H new ATOM 0 HE1 TRP A 4 -1.148 7.007 -1.148 1.00 2.21 H new ATOM 0 HE3 TRP A 4 -1.383 10.981 2.465 1.00 2.65 H new ATOM 0 HZ2 TRP A 4 -3.506 6.969 0.405 1.00 2.51 H new ATOM 0 HZ3 TRP A 4 -3.570 10.175 3.240 1.00 3.19 H new ATOM 0 HH2 TRP A 4 -4.619 8.192 2.224 1.00 3.13 H new ATOM 77 N ASN A 5 2.590 8.788 2.609 1.00 1.89 N ATOM 78 CA ASN A 5 3.751 7.947 2.908 1.00 1.98 C ATOM 79 C ASN A 5 4.737 8.657 3.829 1.00 2.12 C ATOM 80 O ASN A 5 5.952 8.544 3.662 1.00 2.58 O ATOM 81 CB ASN A 5 4.443 7.514 1.615 1.00 1.85 C ATOM 82 CG ASN A 5 4.680 8.663 0.655 1.00 2.43 C ATOM 83 OD1 ASN A 5 3.719 8.895 -0.231 1.00 3.20 O flip ATOM 84 ND2 ASN A 5 5.711 9.332 0.710 1.00 2.75 N flip ATOM 0 H ASN A 5 1.702 8.286 2.610 1.00 1.89 H new ATOM 0 HA ASN A 5 3.392 7.060 3.430 1.00 1.98 H new ATOM 0 HB2 ASN A 5 5.398 7.049 1.859 1.00 1.85 H new ATOM 0 HB3 ASN A 5 3.836 6.755 1.121 1.00 1.85 H new ATOM 0 HD21 ASN A 5 6.422 9.116 1.409 1.00 2.75 H new ATOM 0 HD22 ASN A 5 5.855 10.102 0.057 1.00 2.75 H new ATOM 91 N ILE A 6 4.204 9.384 4.807 1.00 1.91 N ATOM 92 CA ILE A 6 5.033 10.107 5.761 1.00 2.11 C ATOM 93 C ILE A 6 5.805 9.130 6.631 1.00 2.18 C ATOM 94 O ILE A 6 6.837 9.472 7.209 1.00 2.38 O ATOM 95 CB ILE A 6 4.186 11.016 6.674 1.00 2.40 C ATOM 96 CG1 ILE A 6 3.183 11.826 5.850 1.00 2.27 C ATOM 97 CG2 ILE A 6 5.086 11.940 7.481 1.00 2.80 C ATOM 98 CD1 ILE A 6 2.179 12.582 6.698 1.00 3.11 C ATOM 0 H ILE A 6 3.201 9.487 4.958 1.00 1.91 H new ATOM 0 HA ILE A 6 5.721 10.727 5.186 1.00 2.11 H new ATOM 0 HB ILE A 6 3.627 10.386 7.366 1.00 2.40 H new ATOM 0 HG12 ILE A 6 3.726 12.535 5.225 1.00 2.27 H new ATOM 0 HG13 ILE A 6 2.648 11.154 5.179 1.00 2.27 H new ATOM 0 HG21 ILE A 6 4.474 12.576 8.121 1.00 2.80 H new ATOM 0 HG22 ILE A 6 5.759 11.345 8.098 1.00 2.80 H new ATOM 0 HG23 ILE A 6 5.670 12.562 6.803 1.00 2.80 H new ATOM 0 HD11 ILE A 6 1.498 13.135 6.050 1.00 3.11 H new ATOM 0 HD12 ILE A 6 1.611 11.877 7.304 1.00 3.11 H new ATOM 0 HD13 ILE A 6 2.705 13.279 7.350 1.00 3.11 H new ATOM 110 N ALA A 7 5.295 7.908 6.717 1.00 2.12 N ATOM 111 CA ALA A 7 5.927 6.878 7.522 1.00 2.32 C ATOM 112 C ALA A 7 7.019 6.160 6.740 1.00 2.11 C ATOM 113 O ALA A 7 7.388 5.030 7.061 1.00 2.41 O ATOM 114 CB ALA A 7 4.888 5.887 8.025 1.00 2.56 C ATOM 0 H ALA A 7 4.446 7.609 6.238 1.00 2.12 H new ATOM 0 HA ALA A 7 6.394 7.360 8.381 1.00 2.32 H new ATOM 0 HB1 ALA A 7 5.377 5.121 8.627 1.00 2.56 H new ATOM 0 HB2 ALA A 7 4.151 6.410 8.633 1.00 2.56 H new ATOM 0 HB3 ALA A 7 4.391 5.418 7.176 1.00 2.56 H new ATOM 120 N ALA A 8 7.539 6.829 5.718 1.00 1.79 N ATOM 121 CA ALA A 8 8.587 6.259 4.886 1.00 1.61 C ATOM 122 C ALA A 8 9.885 7.054 5.002 1.00 1.75 C ATOM 123 O ALA A 8 9.933 8.237 4.660 1.00 1.98 O ATOM 124 CB ALA A 8 8.130 6.200 3.437 1.00 1.44 C ATOM 0 H ALA A 8 7.250 7.769 5.447 1.00 1.79 H new ATOM 0 HA ALA A 8 8.785 5.247 5.239 1.00 1.61 H new ATOM 0 HB1 ALA A 8 8.922 5.772 2.823 1.00 1.44 H new ATOM 0 HB2 ALA A 8 7.237 5.579 3.362 1.00 1.44 H new ATOM 0 HB3 ALA A 8 7.903 7.207 3.086 1.00 1.44 H new ATOM 130 N LYS A 9 10.939 6.398 5.489 1.00 1.76 N ATOM 131 CA LYS A 9 12.239 7.043 5.645 1.00 1.95 C ATOM 132 C LYS A 9 13.255 6.462 4.667 1.00 1.64 C ATOM 133 O LYS A 9 13.673 7.131 3.722 1.00 1.76 O ATOM 134 CB LYS A 9 12.751 6.889 7.080 1.00 2.29 C ATOM 135 CG LYS A 9 12.340 8.026 8.003 1.00 2.78 C ATOM 136 CD LYS A 9 10.841 8.034 8.259 1.00 3.05 C ATOM 137 CE LYS A 9 10.425 6.893 9.176 1.00 3.46 C ATOM 138 NZ LYS A 9 8.953 6.873 9.402 1.00 4.19 N ATOM 0 H LYS A 9 10.916 5.421 5.781 1.00 1.76 H new ATOM 0 HA LYS A 9 12.113 8.104 5.428 1.00 1.95 H new ATOM 0 HB2 LYS A 9 12.381 5.949 7.489 1.00 2.29 H new ATOM 0 HB3 LYS A 9 13.839 6.822 7.063 1.00 2.29 H new ATOM 0 HG2 LYS A 9 12.870 7.934 8.951 1.00 2.78 H new ATOM 0 HG3 LYS A 9 12.638 8.977 7.562 1.00 2.78 H new ATOM 0 HD2 LYS A 9 10.552 8.985 8.706 1.00 3.05 H new ATOM 0 HD3 LYS A 9 10.309 7.953 7.311 1.00 3.05 H new ATOM 0 HE2 LYS A 9 10.739 5.944 8.741 1.00 3.46 H new ATOM 0 HE3 LYS A 9 10.938 6.990 10.133 1.00 3.46 H new ATOM 0 HZ1 LYS A 9 8.759 6.862 10.424 1.00 4.19 H new ATOM 0 HZ2 LYS A 9 8.525 7.720 8.977 1.00 4.19 H new ATOM 0 HZ3 LYS A 9 8.546 6.022 8.963 1.00 4.19 H new ATOM 152 N SER A 10 13.650 5.213 4.902 1.00 1.35 N ATOM 153 CA SER A 10 14.614 4.541 4.038 1.00 1.09 C ATOM 154 C SER A 10 14.079 4.434 2.615 1.00 1.11 C ATOM 155 O SER A 10 12.888 4.632 2.373 1.00 1.47 O ATOM 156 CB SER A 10 14.938 3.150 4.582 1.00 0.96 C ATOM 157 OG SER A 10 15.508 3.228 5.877 1.00 1.54 O ATOM 0 H SER A 10 13.317 4.647 5.683 1.00 1.35 H new ATOM 0 HA SER A 10 15.528 5.135 4.021 1.00 1.09 H new ATOM 0 HB2 SER A 10 14.029 2.549 4.617 1.00 0.96 H new ATOM 0 HB3 SER A 10 15.629 2.644 3.907 1.00 0.96 H new ATOM 0 HG SER A 10 14.834 2.986 6.546 1.00 1.54 H new ATOM 163 N GLN A 11 14.966 4.118 1.682 1.00 1.09 N ATOM 164 CA GLN A 11 14.588 3.989 0.282 1.00 1.17 C ATOM 165 C GLN A 11 13.795 2.706 0.046 1.00 0.87 C ATOM 166 O GLN A 11 12.738 2.725 -0.584 1.00 0.82 O ATOM 167 CB GLN A 11 15.835 4.007 -0.600 1.00 1.50 C ATOM 168 CG GLN A 11 15.531 3.939 -2.088 1.00 1.71 C ATOM 169 CD GLN A 11 16.784 3.952 -2.941 1.00 2.37 C ATOM 170 OE1 GLN A 11 17.838 3.471 -2.525 1.00 3.07 O ATOM 171 NE2 GLN A 11 16.675 4.506 -4.144 1.00 2.75 N ATOM 0 H GLN A 11 15.954 3.946 1.870 1.00 1.09 H new ATOM 0 HA GLN A 11 13.952 4.835 0.020 1.00 1.17 H new ATOM 0 HB2 GLN A 11 16.401 4.915 -0.395 1.00 1.50 H new ATOM 0 HB3 GLN A 11 16.473 3.166 -0.329 1.00 1.50 H new ATOM 0 HG2 GLN A 11 14.963 3.033 -2.298 1.00 1.71 H new ATOM 0 HG3 GLN A 11 14.899 4.783 -2.365 1.00 1.71 H new ATOM 0 HE21 GLN A 11 15.782 4.893 -4.448 1.00 2.75 H new ATOM 0 HE22 GLN A 11 17.485 4.544 -4.763 1.00 2.75 H new ATOM 180 N GLU A 12 14.314 1.594 0.555 1.00 0.84 N ATOM 181 CA GLU A 12 13.662 0.303 0.400 1.00 0.83 C ATOM 182 C GLU A 12 12.292 0.287 1.070 1.00 0.63 C ATOM 183 O GLU A 12 11.416 -0.491 0.694 1.00 0.77 O ATOM 184 CB GLU A 12 14.540 -0.795 1.001 1.00 1.10 C ATOM 185 CG GLU A 12 14.402 -2.130 0.298 1.00 1.70 C ATOM 186 CD GLU A 12 15.111 -3.252 1.030 1.00 2.48 C ATOM 187 OE1 GLU A 12 16.332 -3.418 0.823 1.00 3.39 O ATOM 188 OE2 GLU A 12 14.445 -3.966 1.810 1.00 2.69 O ATOM 0 H GLU A 12 15.188 1.563 1.080 1.00 0.84 H new ATOM 0 HA GLU A 12 13.521 0.123 -0.666 1.00 0.83 H new ATOM 0 HB2 GLU A 12 15.582 -0.478 0.962 1.00 1.10 H new ATOM 0 HB3 GLU A 12 14.284 -0.919 2.053 1.00 1.10 H new ATOM 0 HG2 GLU A 12 13.345 -2.377 0.200 1.00 1.70 H new ATOM 0 HG3 GLU A 12 14.805 -2.048 -0.711 1.00 1.70 H new ATOM 195 N GLU A 13 12.110 1.149 2.064 1.00 0.53 N ATOM 196 CA GLU A 13 10.845 1.220 2.790 1.00 0.58 C ATOM 197 C GLU A 13 9.823 2.082 2.057 1.00 0.52 C ATOM 198 O GLU A 13 8.654 1.719 1.956 1.00 0.57 O ATOM 199 CB GLU A 13 11.065 1.781 4.196 1.00 0.82 C ATOM 200 CG GLU A 13 12.041 0.972 5.030 1.00 0.84 C ATOM 201 CD GLU A 13 12.134 1.468 6.460 1.00 1.53 C ATOM 202 OE1 GLU A 13 12.816 2.488 6.692 1.00 2.54 O ATOM 203 OE2 GLU A 13 11.521 0.837 7.348 1.00 1.54 O ATOM 0 H GLU A 13 12.820 1.807 2.386 1.00 0.53 H new ATOM 0 HA GLU A 13 10.454 0.205 2.858 1.00 0.58 H new ATOM 0 HB2 GLU A 13 11.431 2.805 4.116 1.00 0.82 H new ATOM 0 HB3 GLU A 13 10.107 1.824 4.714 1.00 0.82 H new ATOM 0 HG2 GLU A 13 11.733 -0.074 5.031 1.00 0.84 H new ATOM 0 HG3 GLU A 13 13.028 1.013 4.570 1.00 0.84 H new ATOM 210 N ARG A 14 10.266 3.219 1.537 1.00 0.48 N ATOM 211 CA ARG A 14 9.368 4.134 0.841 1.00 0.50 C ATOM 212 C ARG A 14 8.877 3.558 -0.484 1.00 0.40 C ATOM 213 O ARG A 14 7.708 3.691 -0.828 1.00 0.52 O ATOM 214 CB ARG A 14 10.058 5.480 0.600 1.00 0.58 C ATOM 215 CG ARG A 14 11.284 5.394 -0.292 1.00 1.42 C ATOM 216 CD ARG A 14 11.913 6.761 -0.488 1.00 1.47 C ATOM 217 NE ARG A 14 13.137 6.697 -1.283 1.00 2.39 N ATOM 218 CZ ARG A 14 13.855 7.763 -1.617 1.00 2.61 C ATOM 219 NH1 ARG A 14 13.476 8.973 -1.227 1.00 1.96 N ATOM 220 NH2 ARG A 14 14.958 7.622 -2.339 1.00 3.70 N ATOM 0 H ARG A 14 11.236 3.530 1.583 1.00 0.48 H new ATOM 0 HA ARG A 14 8.499 4.281 1.482 1.00 0.50 H new ATOM 0 HB2 ARG A 14 9.342 6.169 0.151 1.00 0.58 H new ATOM 0 HB3 ARG A 14 10.349 5.905 1.561 1.00 0.58 H new ATOM 0 HG2 ARG A 14 12.013 4.715 0.150 1.00 1.42 H new ATOM 0 HG3 ARG A 14 11.005 4.976 -1.259 1.00 1.42 H new ATOM 0 HD2 ARG A 14 11.198 7.421 -0.978 1.00 1.47 H new ATOM 0 HD3 ARG A 14 12.136 7.199 0.485 1.00 1.47 H new ATOM 0 HE ARG A 14 13.458 5.782 -1.599 1.00 2.39 H new ATOM 0 HH11 ARG A 14 12.630 9.087 -0.668 1.00 1.96 H new ATOM 0 HH12 ARG A 14 14.030 9.789 -1.486 1.00 1.96 H new ATOM 0 HH21 ARG A 14 15.256 6.694 -2.639 1.00 3.70 H new ATOM 0 HH22 ARG A 14 15.508 8.442 -2.595 1.00 3.70 H new ATOM 234 N ASP A 15 9.760 2.905 -1.217 1.00 0.30 N ATOM 235 CA ASP A 15 9.395 2.349 -2.514 1.00 0.37 C ATOM 236 C ASP A 15 8.401 1.195 -2.402 1.00 0.35 C ATOM 237 O ASP A 15 7.446 1.116 -3.173 1.00 0.47 O ATOM 238 CB ASP A 15 10.640 1.872 -3.259 1.00 0.47 C ATOM 239 CG ASP A 15 11.580 3.009 -3.612 1.00 0.64 C ATOM 240 OD1 ASP A 15 11.152 3.927 -4.343 1.00 0.93 O ATOM 241 OD2 ASP A 15 12.745 2.978 -3.163 1.00 0.71 O ATOM 0 H ASP A 15 10.729 2.745 -0.942 1.00 0.30 H new ATOM 0 HA ASP A 15 8.910 3.152 -3.070 1.00 0.37 H new ATOM 0 HB2 ASP A 15 11.170 1.145 -2.644 1.00 0.47 H new ATOM 0 HB3 ASP A 15 10.338 1.358 -4.172 1.00 0.47 H new ATOM 246 N LYS A 16 8.626 0.304 -1.443 1.00 0.30 N ATOM 247 CA LYS A 16 7.761 -0.859 -1.272 1.00 0.32 C ATOM 248 C LYS A 16 6.456 -0.528 -0.547 1.00 0.29 C ATOM 249 O LYS A 16 5.411 -1.097 -0.863 1.00 0.43 O ATOM 250 CB LYS A 16 8.508 -1.961 -0.523 1.00 0.35 C ATOM 251 CG LYS A 16 9.785 -2.401 -1.222 1.00 0.42 C ATOM 252 CD LYS A 16 10.082 -3.870 -0.972 1.00 0.45 C ATOM 253 CE LYS A 16 9.077 -4.767 -1.679 1.00 0.62 C ATOM 254 NZ LYS A 16 9.445 -6.205 -1.578 1.00 1.38 N ATOM 0 H LYS A 16 9.395 0.363 -0.775 1.00 0.30 H new ATOM 0 HA LYS A 16 7.492 -1.203 -2.271 1.00 0.32 H new ATOM 0 HB2 LYS A 16 8.753 -1.609 0.479 1.00 0.35 H new ATOM 0 HB3 LYS A 16 7.850 -2.822 -0.406 1.00 0.35 H new ATOM 0 HG2 LYS A 16 9.693 -2.225 -2.294 1.00 0.42 H new ATOM 0 HG3 LYS A 16 10.620 -1.795 -0.870 1.00 0.42 H new ATOM 0 HD2 LYS A 16 11.088 -4.104 -1.320 1.00 0.45 H new ATOM 0 HD3 LYS A 16 10.060 -4.070 0.099 1.00 0.45 H new ATOM 0 HE2 LYS A 16 8.088 -4.615 -1.246 1.00 0.62 H new ATOM 0 HE3 LYS A 16 9.013 -4.482 -2.729 1.00 0.62 H new ATOM 0 HZ1 LYS A 16 8.734 -6.781 -2.073 1.00 1.38 H new ATOM 0 HZ2 LYS A 16 10.377 -6.356 -2.014 1.00 1.38 H new ATOM 0 HZ3 LYS A 16 9.481 -6.485 -0.577 1.00 1.38 H new ATOM 268 N VAL A 17 6.508 0.385 0.414 1.00 0.24 N ATOM 269 CA VAL A 17 5.310 0.744 1.168 1.00 0.23 C ATOM 270 C VAL A 17 4.404 1.690 0.381 1.00 0.27 C ATOM 271 O VAL A 17 3.187 1.518 0.373 1.00 0.36 O ATOM 272 CB VAL A 17 5.647 1.373 2.532 1.00 0.22 C ATOM 273 CG1 VAL A 17 4.368 1.743 3.266 1.00 1.27 C ATOM 274 CG2 VAL A 17 6.482 0.414 3.366 1.00 1.23 C ATOM 0 H VAL A 17 7.353 0.885 0.689 1.00 0.24 H new ATOM 0 HA VAL A 17 4.776 -0.190 1.342 1.00 0.23 H new ATOM 0 HB VAL A 17 6.229 2.280 2.367 1.00 0.22 H new ATOM 0 HG11 VAL A 17 4.617 2.187 4.230 1.00 1.27 H new ATOM 0 HG12 VAL A 17 3.802 2.460 2.672 1.00 1.27 H new ATOM 0 HG13 VAL A 17 3.767 0.847 3.424 1.00 1.27 H new ATOM 0 HG21 VAL A 17 6.712 0.873 4.327 1.00 1.23 H new ATOM 0 HG22 VAL A 17 5.923 -0.508 3.529 1.00 1.23 H new ATOM 0 HG23 VAL A 17 7.410 0.188 2.841 1.00 1.23 H new ATOM 284 N ASN A 18 4.992 2.690 -0.276 1.00 0.27 N ATOM 285 CA ASN A 18 4.206 3.640 -1.062 1.00 0.32 C ATOM 286 C ASN A 18 3.424 2.908 -2.141 1.00 0.27 C ATOM 287 O ASN A 18 2.447 3.430 -2.677 1.00 0.25 O ATOM 288 CB ASN A 18 5.099 4.692 -1.718 1.00 0.39 C ATOM 289 CG ASN A 18 5.815 5.592 -0.723 1.00 0.44 C ATOM 290 OD1 ASN A 18 6.022 5.102 0.495 1.00 0.77 O flip ATOM 291 ND2 ASN A 18 6.173 6.724 -1.046 1.00 0.22 N flip ATOM 0 H ASN A 18 5.997 2.862 -0.280 1.00 0.27 H new ATOM 0 HA ASN A 18 3.518 4.141 -0.381 1.00 0.32 H new ATOM 0 HB2 ASN A 18 5.841 4.190 -2.339 1.00 0.39 H new ATOM 0 HB3 ASN A 18 4.492 5.309 -2.381 1.00 0.39 H new ATOM 0 HD21 ASN A 18 5.996 7.065 -1.991 1.00 0.22 H new ATOM 0 HD22 ASN A 18 6.647 7.322 -0.369 1.00 0.22 H new ATOM 298 N VAL A 19 3.863 1.694 -2.452 1.00 0.33 N ATOM 299 CA VAL A 19 3.210 0.881 -3.466 1.00 0.32 C ATOM 300 C VAL A 19 2.143 0.015 -2.808 1.00 0.33 C ATOM 301 O VAL A 19 1.139 -0.340 -3.426 1.00 0.32 O ATOM 302 CB VAL A 19 4.230 0.000 -4.225 1.00 0.34 C ATOM 303 CG1 VAL A 19 4.108 -1.466 -3.834 1.00 0.40 C ATOM 304 CG2 VAL A 19 4.068 0.168 -5.728 1.00 0.32 C ATOM 0 H VAL A 19 4.671 1.252 -2.014 1.00 0.33 H new ATOM 0 HA VAL A 19 2.744 1.543 -4.196 1.00 0.32 H new ATOM 0 HB VAL A 19 5.228 0.334 -3.941 1.00 0.34 H new ATOM 0 HG11 VAL A 19 4.841 -2.053 -4.388 1.00 0.40 H new ATOM 0 HG12 VAL A 19 4.291 -1.574 -2.765 1.00 0.40 H new ATOM 0 HG13 VAL A 19 3.105 -1.823 -4.069 1.00 0.40 H new ATOM 0 HG21 VAL A 19 4.794 -0.460 -6.245 1.00 0.32 H new ATOM 0 HG22 VAL A 19 3.060 -0.127 -6.021 1.00 0.32 H new ATOM 0 HG23 VAL A 19 4.233 1.211 -5.997 1.00 0.32 H new ATOM 314 N ASP A 20 2.378 -0.316 -1.539 1.00 0.37 N ATOM 315 CA ASP A 20 1.443 -1.118 -0.769 1.00 0.40 C ATOM 316 C ASP A 20 0.207 -0.288 -0.454 1.00 0.40 C ATOM 317 O ASP A 20 -0.919 -0.779 -0.511 1.00 0.41 O ATOM 318 CB ASP A 20 2.097 -1.603 0.529 1.00 0.46 C ATOM 319 CG ASP A 20 1.169 -2.469 1.360 1.00 0.62 C ATOM 320 OD1 ASP A 20 0.234 -1.918 1.977 1.00 0.82 O ATOM 321 OD2 ASP A 20 1.382 -3.699 1.396 1.00 0.84 O ATOM 0 H ASP A 20 3.214 -0.037 -1.025 1.00 0.37 H new ATOM 0 HA ASP A 20 1.154 -1.991 -1.355 1.00 0.40 H new ATOM 0 HB2 ASP A 20 2.998 -2.168 0.289 1.00 0.46 H new ATOM 0 HB3 ASP A 20 2.409 -0.741 1.119 1.00 0.46 H new ATOM 326 N LEU A 21 0.437 0.980 -0.120 1.00 0.40 N ATOM 327 CA LEU A 21 -0.647 1.896 0.187 1.00 0.43 C ATOM 328 C LEU A 21 -1.282 2.390 -1.101 1.00 0.30 C ATOM 329 O LEU A 21 -2.476 2.680 -1.144 1.00 0.31 O ATOM 330 CB LEU A 21 -0.142 3.072 1.028 1.00 0.57 C ATOM 331 CG LEU A 21 1.014 3.870 0.422 1.00 0.67 C ATOM 332 CD1 LEU A 21 0.496 5.005 -0.444 1.00 0.73 C ATOM 333 CD2 LEU A 21 1.918 4.405 1.522 1.00 1.07 C ATOM 0 H LEU A 21 1.368 1.392 -0.056 1.00 0.40 H new ATOM 0 HA LEU A 21 -1.400 1.367 0.771 1.00 0.43 H new ATOM 0 HB2 LEU A 21 -0.975 3.752 1.206 1.00 0.57 H new ATOM 0 HB3 LEU A 21 0.173 2.692 2.000 1.00 0.57 H new ATOM 0 HG LEU A 21 1.595 3.202 -0.213 1.00 0.67 H new ATOM 0 HD11 LEU A 21 1.338 5.557 -0.863 1.00 0.73 H new ATOM 0 HD12 LEU A 21 -0.110 4.598 -1.254 1.00 0.73 H new ATOM 0 HD13 LEU A 21 -0.112 5.676 0.162 1.00 0.73 H new ATOM 0 HD21 LEU A 21 2.737 4.971 1.077 1.00 1.07 H new ATOM 0 HD22 LEU A 21 1.343 5.056 2.181 1.00 1.07 H new ATOM 0 HD23 LEU A 21 2.323 3.572 2.097 1.00 1.07 H new ATOM 345 N ALA A 22 -0.465 2.497 -2.150 1.00 0.24 N ATOM 346 CA ALA A 22 -0.956 2.931 -3.449 1.00 0.23 C ATOM 347 C ALA A 22 -2.173 2.108 -3.845 1.00 0.26 C ATOM 348 O ALA A 22 -3.219 2.650 -4.204 1.00 0.39 O ATOM 349 CB ALA A 22 0.137 2.804 -4.497 1.00 0.26 C ATOM 0 H ALA A 22 0.533 2.289 -2.121 1.00 0.24 H new ATOM 0 HA ALA A 22 -1.248 3.979 -3.384 1.00 0.23 H new ATOM 0 HB1 ALA A 22 -0.246 3.132 -5.463 1.00 0.26 H new ATOM 0 HB2 ALA A 22 0.987 3.425 -4.213 1.00 0.26 H new ATOM 0 HB3 ALA A 22 0.455 1.764 -4.567 1.00 0.26 H new ATOM 355 N ALA A 23 -2.028 0.793 -3.766 1.00 0.26 N ATOM 356 CA ALA A 23 -3.109 -0.114 -4.093 1.00 0.38 C ATOM 357 C ALA A 23 -4.235 0.029 -3.083 1.00 0.36 C ATOM 358 O ALA A 23 -5.407 0.029 -3.430 1.00 0.58 O ATOM 359 CB ALA A 23 -2.607 -1.551 -4.120 1.00 0.49 C ATOM 0 H ALA A 23 -1.165 0.332 -3.476 1.00 0.26 H new ATOM 0 HA ALA A 23 -3.489 0.140 -5.083 1.00 0.38 H new ATOM 0 HB1 ALA A 23 -3.431 -2.220 -4.367 1.00 0.49 H new ATOM 0 HB2 ALA A 23 -1.823 -1.648 -4.871 1.00 0.49 H new ATOM 0 HB3 ALA A 23 -2.207 -1.815 -3.141 1.00 0.49 H new ATOM 365 N SER A 24 -3.867 0.174 -1.823 1.00 0.30 N ATOM 366 CA SER A 24 -4.859 0.304 -0.763 1.00 0.33 C ATOM 367 C SER A 24 -5.892 1.389 -1.074 1.00 0.27 C ATOM 368 O SER A 24 -7.088 1.162 -0.985 1.00 0.33 O ATOM 369 CB SER A 24 -4.184 0.615 0.568 1.00 0.43 C ATOM 370 OG SER A 24 -3.196 -0.351 0.881 1.00 1.36 O ATOM 0 H SER A 24 -2.898 0.205 -1.507 1.00 0.30 H new ATOM 0 HA SER A 24 -5.379 -0.652 -0.696 1.00 0.33 H new ATOM 0 HB2 SER A 24 -3.728 1.604 0.525 1.00 0.43 H new ATOM 0 HB3 SER A 24 -4.932 0.643 1.360 1.00 0.43 H new ATOM 0 HG SER A 24 -2.496 -0.337 0.195 1.00 1.36 H new ATOM 376 N GLY A 25 -5.431 2.553 -1.484 1.00 0.27 N ATOM 377 CA GLY A 25 -6.339 3.647 -1.746 1.00 0.34 C ATOM 378 C GLY A 25 -7.248 3.417 -2.935 1.00 0.33 C ATOM 379 O GLY A 25 -8.451 3.649 -2.853 1.00 0.43 O ATOM 0 H GLY A 25 -4.445 2.763 -1.641 1.00 0.27 H new ATOM 0 HA2 GLY A 25 -6.951 3.818 -0.861 1.00 0.34 H new ATOM 0 HA3 GLY A 25 -5.760 4.555 -1.914 1.00 0.34 H new ATOM 383 N VAL A 26 -6.680 2.936 -4.030 1.00 0.29 N ATOM 384 CA VAL A 26 -7.443 2.729 -5.253 1.00 0.37 C ATOM 385 C VAL A 26 -8.690 1.843 -5.083 1.00 0.44 C ATOM 386 O VAL A 26 -9.806 2.310 -5.309 1.00 0.53 O ATOM 387 CB VAL A 26 -6.555 2.160 -6.374 1.00 0.44 C ATOM 388 CG1 VAL A 26 -5.712 3.259 -7.004 1.00 1.26 C ATOM 389 CG2 VAL A 26 -5.671 1.048 -5.866 1.00 1.09 C ATOM 0 H VAL A 26 -5.695 2.682 -4.098 1.00 0.29 H new ATOM 0 HA VAL A 26 -7.802 3.721 -5.527 1.00 0.37 H new ATOM 0 HB VAL A 26 -7.214 1.745 -7.136 1.00 0.44 H new ATOM 0 HG11 VAL A 26 -5.092 2.835 -7.794 1.00 1.26 H new ATOM 0 HG12 VAL A 26 -6.366 4.022 -7.426 1.00 1.26 H new ATOM 0 HG13 VAL A 26 -5.073 3.709 -6.244 1.00 1.26 H new ATOM 0 HG21 VAL A 26 -5.057 0.669 -6.683 1.00 1.09 H new ATOM 0 HG22 VAL A 26 -5.026 1.429 -5.074 1.00 1.09 H new ATOM 0 HG23 VAL A 26 -6.290 0.242 -5.473 1.00 1.09 H new ATOM 399 N ALA A 27 -8.521 0.577 -4.690 1.00 0.44 N ATOM 400 CA ALA A 27 -9.673 -0.327 -4.542 1.00 0.54 C ATOM 401 C ALA A 27 -10.299 -0.295 -3.150 1.00 0.51 C ATOM 402 O ALA A 27 -11.514 -0.137 -3.018 1.00 0.59 O ATOM 403 CB ALA A 27 -9.293 -1.759 -4.892 1.00 0.61 C ATOM 0 H ALA A 27 -7.617 0.158 -4.471 1.00 0.44 H new ATOM 0 HA ALA A 27 -10.423 0.041 -5.242 1.00 0.54 H new ATOM 0 HB1 ALA A 27 -10.163 -2.405 -4.774 1.00 0.61 H new ATOM 0 HB2 ALA A 27 -8.947 -1.802 -5.925 1.00 0.61 H new ATOM 0 HB3 ALA A 27 -8.497 -2.097 -4.228 1.00 0.61 H new ATOM 409 N TYR A 28 -9.472 -0.456 -2.121 1.00 0.42 N ATOM 410 CA TYR A 28 -9.958 -0.489 -0.737 1.00 0.43 C ATOM 411 C TYR A 28 -10.948 0.641 -0.472 1.00 0.49 C ATOM 412 O TYR A 28 -11.932 0.461 0.242 1.00 0.72 O ATOM 413 CB TYR A 28 -8.783 -0.390 0.246 1.00 0.37 C ATOM 414 CG TYR A 28 -8.810 -1.367 1.404 1.00 0.44 C ATOM 415 CD1 TYR A 28 -9.323 -2.648 1.237 1.00 0.49 C ATOM 416 CD2 TYR A 28 -8.338 -1.017 2.660 1.00 0.54 C ATOM 417 CE1 TYR A 28 -9.360 -3.548 2.283 1.00 0.59 C ATOM 418 CE2 TYR A 28 -8.370 -1.910 3.710 1.00 0.64 C ATOM 419 CZ TYR A 28 -8.837 -3.144 3.544 1.00 0.63 C ATOM 420 OH TYR A 28 -8.912 -4.068 4.566 1.00 0.77 O ATOM 0 H TYR A 28 -8.462 -0.566 -2.215 1.00 0.42 H new ATOM 0 HA TYR A 28 -10.472 -1.439 -0.589 1.00 0.43 H new ATOM 0 HB2 TYR A 28 -7.856 -0.538 -0.308 1.00 0.37 H new ATOM 0 HB3 TYR A 28 -8.755 0.622 0.649 1.00 0.37 H new ATOM 0 HD1 TYR A 28 -9.700 -2.945 0.270 1.00 0.49 H new ATOM 0 HD2 TYR A 28 -7.938 -0.026 2.819 1.00 0.54 H new ATOM 0 HE1 TYR A 28 -9.776 -4.535 2.148 1.00 0.59 H new ATOM 0 HE2 TYR A 28 -8.011 -1.603 4.681 1.00 0.64 H new ATOM 0 HH TYR A 28 -8.525 -3.686 5.381 1.00 0.77 H new ATOM 430 N LYS A 29 -10.696 1.797 -1.071 1.00 0.37 N ATOM 431 CA LYS A 29 -11.559 2.954 -0.873 1.00 0.40 C ATOM 432 C LYS A 29 -12.894 2.825 -1.602 1.00 0.48 C ATOM 433 O LYS A 29 -13.956 2.846 -0.980 1.00 0.55 O ATOM 434 CB LYS A 29 -10.844 4.221 -1.345 1.00 0.40 C ATOM 435 CG LYS A 29 -11.742 5.453 -1.390 1.00 0.50 C ATOM 436 CD LYS A 29 -11.156 6.535 -2.279 1.00 1.23 C ATOM 437 CE LYS A 29 -12.034 7.776 -2.294 1.00 1.67 C ATOM 438 NZ LYS A 29 -11.450 8.863 -3.124 1.00 2.30 N ATOM 0 H LYS A 29 -9.905 1.959 -1.695 1.00 0.37 H new ATOM 0 HA LYS A 29 -11.773 3.012 0.194 1.00 0.40 H new ATOM 0 HB2 LYS A 29 -10.002 4.420 -0.682 1.00 0.40 H new ATOM 0 HB3 LYS A 29 -10.433 4.046 -2.339 1.00 0.40 H new ATOM 0 HG2 LYS A 29 -12.729 5.172 -1.759 1.00 0.50 H new ATOM 0 HG3 LYS A 29 -11.878 5.843 -0.381 1.00 0.50 H new ATOM 0 HD2 LYS A 29 -10.159 6.797 -1.926 1.00 1.23 H new ATOM 0 HD3 LYS A 29 -11.045 6.154 -3.294 1.00 1.23 H new ATOM 0 HE2 LYS A 29 -13.021 7.517 -2.678 1.00 1.67 H new ATOM 0 HE3 LYS A 29 -12.173 8.134 -1.274 1.00 1.67 H new ATOM 0 HZ1 LYS A 29 -12.080 9.690 -3.107 1.00 2.30 H new ATOM 0 HZ2 LYS A 29 -10.520 9.129 -2.743 1.00 2.30 H new ATOM 0 HZ3 LYS A 29 -11.341 8.531 -4.104 1.00 2.30 H new ATOM 452 N GLU A 30 -12.835 2.692 -2.922 1.00 0.51 N ATOM 453 CA GLU A 30 -14.045 2.608 -3.738 1.00 0.60 C ATOM 454 C GLU A 30 -14.847 1.337 -3.472 1.00 0.72 C ATOM 455 O GLU A 30 -15.819 1.058 -4.174 1.00 0.99 O ATOM 456 CB GLU A 30 -13.685 2.689 -5.223 1.00 0.77 C ATOM 457 CG GLU A 30 -13.020 3.995 -5.619 1.00 1.20 C ATOM 458 CD GLU A 30 -13.921 5.195 -5.408 1.00 1.95 C ATOM 459 OE1 GLU A 30 -14.725 5.500 -6.315 1.00 2.65 O ATOM 460 OE2 GLU A 30 -13.822 5.831 -4.338 1.00 2.35 O ATOM 0 H GLU A 30 -11.965 2.640 -3.451 1.00 0.51 H new ATOM 0 HA GLU A 30 -14.674 3.453 -3.459 1.00 0.60 H new ATOM 0 HB2 GLU A 30 -13.020 1.862 -5.472 1.00 0.77 H new ATOM 0 HB3 GLU A 30 -14.591 2.559 -5.815 1.00 0.77 H new ATOM 0 HG2 GLU A 30 -12.107 4.124 -5.038 1.00 1.20 H new ATOM 0 HG3 GLU A 30 -12.726 3.946 -6.668 1.00 1.20 H new ATOM 467 N ARG A 31 -14.451 0.569 -2.465 1.00 0.67 N ATOM 468 CA ARG A 31 -15.157 -0.662 -2.136 1.00 0.85 C ATOM 469 C ARG A 31 -15.662 -0.655 -0.697 1.00 0.86 C ATOM 470 O ARG A 31 -16.867 -0.688 -0.453 1.00 1.62 O ATOM 471 CB ARG A 31 -14.250 -1.877 -2.357 1.00 0.91 C ATOM 472 CG ARG A 31 -14.347 -2.472 -3.755 1.00 1.48 C ATOM 473 CD ARG A 31 -13.722 -1.563 -4.801 1.00 1.55 C ATOM 474 NE ARG A 31 -13.899 -2.089 -6.153 1.00 1.36 N ATOM 475 CZ ARG A 31 -13.511 -1.450 -7.251 1.00 1.60 C ATOM 476 NH1 ARG A 31 -12.922 -0.264 -7.161 1.00 2.36 N ATOM 477 NH2 ARG A 31 -13.712 -1.996 -8.443 1.00 1.64 N ATOM 0 H ARG A 31 -13.651 0.775 -1.866 1.00 0.67 H new ATOM 0 HA ARG A 31 -16.019 -0.728 -2.799 1.00 0.85 H new ATOM 0 HB2 ARG A 31 -13.217 -1.586 -2.167 1.00 0.91 H new ATOM 0 HB3 ARG A 31 -14.504 -2.646 -1.627 1.00 0.91 H new ATOM 0 HG2 ARG A 31 -13.850 -3.442 -3.772 1.00 1.48 H new ATOM 0 HG3 ARG A 31 -15.394 -2.646 -4.004 1.00 1.48 H new ATOM 0 HD2 ARG A 31 -14.170 -0.572 -4.735 1.00 1.55 H new ATOM 0 HD3 ARG A 31 -12.658 -1.447 -4.593 1.00 1.55 H new ATOM 0 HE ARG A 31 -14.346 -2.999 -6.260 1.00 1.36 H new ATOM 0 HH11 ARG A 31 -12.766 0.160 -6.246 1.00 2.36 H new ATOM 0 HH12 ARG A 31 -12.625 0.224 -8.006 1.00 2.36 H new ATOM 0 HH21 ARG A 31 -14.165 -2.907 -8.517 1.00 1.64 H new ATOM 0 HH22 ARG A 31 -13.414 -1.505 -9.286 1.00 1.64 H new ATOM 491 N LEU A 32 -14.734 -0.612 0.249 1.00 0.89 N ATOM 492 CA LEU A 32 -15.072 -0.634 1.664 1.00 0.81 C ATOM 493 C LEU A 32 -15.234 0.774 2.230 1.00 0.96 C ATOM 494 O LEU A 32 -15.915 1.616 1.645 1.00 1.34 O ATOM 495 CB LEU A 32 -13.987 -1.391 2.438 1.00 0.66 C ATOM 496 CG LEU A 32 -13.471 -2.674 1.782 1.00 0.62 C ATOM 497 CD1 LEU A 32 -14.572 -3.399 1.058 1.00 0.57 C ATOM 498 CD2 LEU A 32 -12.343 -2.385 0.827 1.00 0.84 C ATOM 0 H LEU A 32 -13.733 -0.561 0.059 1.00 0.89 H new ATOM 0 HA LEU A 32 -16.029 -1.143 1.775 1.00 0.81 H new ATOM 0 HB2 LEU A 32 -13.142 -0.720 2.592 1.00 0.66 H new ATOM 0 HB3 LEU A 32 -14.379 -1.642 3.424 1.00 0.66 H new ATOM 0 HG LEU A 32 -13.098 -3.313 2.583 1.00 0.62 H new ATOM 0 HD11 LEU A 32 -14.173 -4.306 0.603 1.00 0.57 H new ATOM 0 HD12 LEU A 32 -15.359 -3.663 1.764 1.00 0.57 H new ATOM 0 HD13 LEU A 32 -14.983 -2.754 0.281 1.00 0.57 H new ATOM 0 HD21 LEU A 32 -11.999 -3.317 0.378 1.00 0.84 H new ATOM 0 HD22 LEU A 32 -12.693 -1.712 0.044 1.00 0.84 H new ATOM 0 HD23 LEU A 32 -11.520 -1.917 1.367 1.00 0.84 H new ATOM 510 N ASN A 33 -14.599 1.020 3.374 1.00 1.19 N ATOM 511 CA ASN A 33 -14.672 2.311 4.031 1.00 1.38 C ATOM 512 C ASN A 33 -13.270 2.839 4.285 1.00 1.19 C ATOM 513 O ASN A 33 -12.735 2.720 5.388 1.00 1.59 O ATOM 514 CB ASN A 33 -15.448 2.202 5.346 1.00 1.78 C ATOM 515 CG ASN A 33 -15.599 3.539 6.046 1.00 2.08 C ATOM 516 OD1 ASN A 33 -16.552 4.279 5.797 1.00 2.08 O ATOM 517 ND2 ASN A 33 -14.661 3.854 6.932 1.00 3.05 N ATOM 0 H ASN A 33 -14.026 0.333 3.863 1.00 1.19 H new ATOM 0 HA ASN A 33 -15.201 3.008 3.381 1.00 1.38 H new ATOM 0 HB2 ASN A 33 -16.436 1.786 5.147 1.00 1.78 H new ATOM 0 HB3 ASN A 33 -14.936 1.505 6.009 1.00 1.78 H new ATOM 0 HD21 ASN A 33 -14.713 4.739 7.437 1.00 3.05 H new ATOM 0 HD22 ASN A 33 -13.889 3.211 7.107 1.00 3.05 H new ATOM 524 N ILE A 34 -12.676 3.408 3.246 1.00 0.75 N ATOM 525 CA ILE A 34 -11.329 3.956 3.350 1.00 0.62 C ATOM 526 C ILE A 34 -11.271 5.365 2.768 1.00 0.54 C ATOM 527 O ILE A 34 -11.283 5.541 1.554 1.00 0.68 O ATOM 528 CB ILE A 34 -10.289 3.062 2.648 1.00 0.56 C ATOM 529 CG1 ILE A 34 -10.166 1.726 3.380 1.00 0.64 C ATOM 530 CG2 ILE A 34 -8.939 3.758 2.579 1.00 0.64 C ATOM 531 CD1 ILE A 34 -11.266 0.747 3.035 1.00 0.65 C ATOM 0 H ILE A 34 -13.102 3.503 2.324 1.00 0.75 H new ATOM 0 HA ILE A 34 -11.083 3.994 4.411 1.00 0.62 H new ATOM 0 HB ILE A 34 -10.625 2.874 1.628 1.00 0.56 H new ATOM 0 HG12 ILE A 34 -9.202 1.277 3.141 1.00 0.64 H new ATOM 0 HG13 ILE A 34 -10.175 1.907 4.455 1.00 0.64 H new ATOM 0 HG21 ILE A 34 -8.220 3.109 2.080 1.00 0.64 H new ATOM 0 HG22 ILE A 34 -9.037 4.688 2.020 1.00 0.64 H new ATOM 0 HG23 ILE A 34 -8.590 3.977 3.588 1.00 0.64 H new ATOM 0 HD11 ILE A 34 -11.116 -0.179 3.590 1.00 0.65 H new ATOM 0 HD12 ILE A 34 -12.232 1.177 3.300 1.00 0.65 H new ATOM 0 HD13 ILE A 34 -11.244 0.537 1.966 1.00 0.65 H new ATOM 543 N PRO A 35 -11.203 6.392 3.634 1.00 0.46 N ATOM 544 CA PRO A 35 -11.160 7.789 3.198 1.00 0.49 C ATOM 545 C PRO A 35 -9.767 8.235 2.763 1.00 0.51 C ATOM 546 O PRO A 35 -8.990 8.744 3.570 1.00 0.56 O ATOM 547 CB PRO A 35 -11.580 8.531 4.461 1.00 0.58 C ATOM 548 CG PRO A 35 -10.992 7.710 5.552 1.00 0.62 C ATOM 549 CD PRO A 35 -11.161 6.283 5.110 1.00 0.56 C ATOM 0 HA PRO A 35 -11.789 7.970 2.327 1.00 0.49 H new ATOM 0 HB2 PRO A 35 -11.197 9.551 4.474 1.00 0.58 H new ATOM 0 HB3 PRO A 35 -12.665 8.597 4.547 1.00 0.58 H new ATOM 0 HG2 PRO A 35 -9.940 7.953 5.704 1.00 0.62 H new ATOM 0 HG3 PRO A 35 -11.501 7.891 6.499 1.00 0.62 H new ATOM 0 HD2 PRO A 35 -10.334 5.657 5.445 1.00 0.56 H new ATOM 0 HD3 PRO A 35 -12.075 5.843 5.508 1.00 0.56 H new ATOM 557 N VAL A 36 -9.458 8.042 1.485 1.00 0.54 N ATOM 558 CA VAL A 36 -8.156 8.424 0.947 1.00 0.59 C ATOM 559 C VAL A 36 -8.264 8.840 -0.517 1.00 0.57 C ATOM 560 O VAL A 36 -9.258 8.556 -1.179 1.00 0.58 O ATOM 561 CB VAL A 36 -7.135 7.278 1.076 1.00 0.61 C ATOM 562 CG1 VAL A 36 -6.914 6.909 2.537 1.00 1.14 C ATOM 563 CG2 VAL A 36 -7.594 6.071 0.280 1.00 0.88 C ATOM 0 H VAL A 36 -10.090 7.624 0.803 1.00 0.54 H new ATOM 0 HA VAL A 36 -7.808 9.274 1.535 1.00 0.59 H new ATOM 0 HB VAL A 36 -6.183 7.619 0.669 1.00 0.61 H new ATOM 0 HG11 VAL A 36 -6.189 6.098 2.602 1.00 1.14 H new ATOM 0 HG12 VAL A 36 -6.537 7.777 3.078 1.00 1.14 H new ATOM 0 HG13 VAL A 36 -7.858 6.588 2.978 1.00 1.14 H new ATOM 0 HG21 VAL A 36 -6.863 5.269 0.381 1.00 0.88 H new ATOM 0 HG22 VAL A 36 -8.559 5.732 0.657 1.00 0.88 H new ATOM 0 HG23 VAL A 36 -7.691 6.344 -0.771 1.00 0.88 H new ATOM 573 N ILE A 37 -7.240 9.527 -1.013 1.00 0.60 N ATOM 574 CA ILE A 37 -7.226 9.984 -2.398 1.00 0.64 C ATOM 575 C ILE A 37 -6.546 8.958 -3.305 1.00 0.59 C ATOM 576 O ILE A 37 -5.398 8.578 -3.073 1.00 0.57 O ATOM 577 CB ILE A 37 -6.499 11.338 -2.531 1.00 0.77 C ATOM 578 CG1 ILE A 37 -7.042 12.341 -1.507 1.00 0.87 C ATOM 579 CG2 ILE A 37 -6.639 11.884 -3.945 1.00 0.85 C ATOM 580 CD1 ILE A 37 -8.528 12.607 -1.636 1.00 0.90 C ATOM 0 H ILE A 37 -6.410 9.779 -0.477 1.00 0.60 H new ATOM 0 HA ILE A 37 -8.264 10.106 -2.707 1.00 0.64 H new ATOM 0 HB ILE A 37 -5.439 11.182 -2.329 1.00 0.77 H new ATOM 0 HG12 ILE A 37 -6.835 11.969 -0.504 1.00 0.87 H new ATOM 0 HG13 ILE A 37 -6.504 13.283 -1.615 1.00 0.87 H new ATOM 0 HG21 ILE A 37 -6.120 12.839 -4.019 1.00 0.85 H new ATOM 0 HG22 ILE A 37 -6.203 11.178 -4.652 1.00 0.85 H new ATOM 0 HG23 ILE A 37 -7.694 12.026 -4.177 1.00 0.85 H new ATOM 0 HD11 ILE A 37 -8.836 13.326 -0.877 1.00 0.90 H new ATOM 0 HD12 ILE A 37 -8.741 13.010 -2.626 1.00 0.90 H new ATOM 0 HD13 ILE A 37 -9.078 11.676 -1.498 1.00 0.90 H new ATOM 592 N ALA A 38 -7.260 8.515 -4.341 1.00 0.59 N ATOM 593 CA ALA A 38 -6.719 7.528 -5.275 1.00 0.61 C ATOM 594 C ALA A 38 -5.734 8.167 -6.251 1.00 0.57 C ATOM 595 O ALA A 38 -4.600 7.709 -6.387 1.00 0.64 O ATOM 596 CB ALA A 38 -7.848 6.848 -6.036 1.00 0.67 C ATOM 0 H ALA A 38 -8.209 8.822 -4.553 1.00 0.59 H new ATOM 0 HA ALA A 38 -6.179 6.779 -4.695 1.00 0.61 H new ATOM 0 HB1 ALA A 38 -7.431 6.116 -6.728 1.00 0.67 H new ATOM 0 HB2 ALA A 38 -8.511 6.345 -5.331 1.00 0.67 H new ATOM 0 HB3 ALA A 38 -8.412 7.595 -6.595 1.00 0.67 H new ATOM 602 N GLU A 39 -6.176 9.221 -6.935 1.00 0.51 N ATOM 603 CA GLU A 39 -5.321 9.929 -7.889 1.00 0.57 C ATOM 604 C GLU A 39 -4.021 10.371 -7.229 1.00 0.47 C ATOM 605 O GLU A 39 -3.047 10.705 -7.905 1.00 0.50 O ATOM 606 CB GLU A 39 -6.050 11.138 -8.471 1.00 0.76 C ATOM 607 CG GLU A 39 -6.607 12.082 -7.418 1.00 0.57 C ATOM 608 CD GLU A 39 -7.314 13.278 -8.023 1.00 0.94 C ATOM 609 OE1 GLU A 39 -6.641 14.297 -8.283 1.00 1.28 O ATOM 610 OE2 GLU A 39 -8.542 13.196 -8.236 1.00 1.23 O ATOM 0 H GLU A 39 -7.118 9.603 -6.848 1.00 0.51 H new ATOM 0 HA GLU A 39 -5.081 9.240 -8.699 1.00 0.57 H new ATOM 0 HB2 GLU A 39 -5.364 11.690 -9.114 1.00 0.76 H new ATOM 0 HB3 GLU A 39 -6.867 10.789 -9.102 1.00 0.76 H new ATOM 0 HG2 GLU A 39 -7.303 11.538 -6.779 1.00 0.57 H new ATOM 0 HG3 GLU A 39 -5.794 12.429 -6.780 1.00 0.57 H new ATOM 617 N GLN A 40 -4.018 10.366 -5.902 1.00 0.43 N ATOM 618 CA GLN A 40 -2.839 10.756 -5.144 1.00 0.45 C ATOM 619 C GLN A 40 -1.737 9.725 -5.332 1.00 0.37 C ATOM 620 O GLN A 40 -0.645 10.043 -5.794 1.00 0.47 O ATOM 621 CB GLN A 40 -3.173 10.879 -3.660 1.00 0.55 C ATOM 622 CG GLN A 40 -2.891 12.257 -3.083 1.00 0.49 C ATOM 623 CD GLN A 40 -3.063 12.307 -1.577 1.00 0.48 C ATOM 624 OE1 GLN A 40 -2.842 11.316 -0.882 1.00 0.75 O ATOM 625 NE2 GLN A 40 -3.461 13.466 -1.064 1.00 0.75 N ATOM 0 H GLN A 40 -4.818 10.096 -5.330 1.00 0.43 H new ATOM 0 HA GLN A 40 -2.498 11.724 -5.511 1.00 0.45 H new ATOM 0 HB2 GLN A 40 -4.227 10.642 -3.513 1.00 0.55 H new ATOM 0 HB3 GLN A 40 -2.599 10.138 -3.105 1.00 0.55 H new ATOM 0 HG2 GLN A 40 -1.873 12.552 -3.338 1.00 0.49 H new ATOM 0 HG3 GLN A 40 -3.559 12.984 -3.545 1.00 0.49 H new ATOM 0 HE21 GLN A 40 -3.633 14.263 -1.677 1.00 0.75 H new ATOM 0 HE22 GLN A 40 -3.595 13.559 -0.057 1.00 0.75 H new ATOM 634 N VAL A 41 -2.043 8.483 -4.975 1.00 0.31 N ATOM 635 CA VAL A 41 -1.091 7.389 -5.099 1.00 0.31 C ATOM 636 C VAL A 41 -0.718 7.167 -6.554 1.00 0.33 C ATOM 637 O VAL A 41 0.291 6.538 -6.868 1.00 0.43 O ATOM 638 CB VAL A 41 -1.666 6.083 -4.525 1.00 0.31 C ATOM 639 CG1 VAL A 41 -2.409 6.346 -3.224 1.00 0.31 C ATOM 640 CG2 VAL A 41 -2.576 5.405 -5.537 1.00 0.35 C ATOM 0 H VAL A 41 -2.949 8.209 -4.595 1.00 0.31 H new ATOM 0 HA VAL A 41 -0.203 7.666 -4.531 1.00 0.31 H new ATOM 0 HB VAL A 41 -0.835 5.411 -4.311 1.00 0.31 H new ATOM 0 HG11 VAL A 41 -2.807 5.408 -2.836 1.00 0.31 H new ATOM 0 HG12 VAL A 41 -1.724 6.778 -2.495 1.00 0.31 H new ATOM 0 HG13 VAL A 41 -3.229 7.040 -3.407 1.00 0.31 H new ATOM 0 HG21 VAL A 41 -2.972 4.483 -5.110 1.00 0.35 H new ATOM 0 HG22 VAL A 41 -3.401 6.072 -5.789 1.00 0.35 H new ATOM 0 HG23 VAL A 41 -2.009 5.173 -6.438 1.00 0.35 H new ATOM 650 N ALA A 42 -1.555 7.687 -7.436 1.00 0.34 N ATOM 651 CA ALA A 42 -1.350 7.547 -8.865 1.00 0.44 C ATOM 652 C ALA A 42 -0.224 8.447 -9.374 1.00 0.57 C ATOM 653 O ALA A 42 0.265 8.264 -10.490 1.00 0.77 O ATOM 654 CB ALA A 42 -2.650 7.835 -9.594 1.00 0.42 C ATOM 0 H ALA A 42 -2.390 8.215 -7.182 1.00 0.34 H new ATOM 0 HA ALA A 42 -1.044 6.521 -9.067 1.00 0.44 H new ATOM 0 HB1 ALA A 42 -2.496 7.730 -10.668 1.00 0.42 H new ATOM 0 HB2 ALA A 42 -3.415 7.131 -9.266 1.00 0.42 H new ATOM 0 HB3 ALA A 42 -2.974 8.852 -9.372 1.00 0.42 H new ATOM 660 N ARG A 43 0.188 9.415 -8.557 1.00 0.49 N ATOM 661 CA ARG A 43 1.246 10.338 -8.946 1.00 0.61 C ATOM 662 C ARG A 43 2.613 9.651 -8.924 1.00 0.69 C ATOM 663 O ARG A 43 3.609 10.221 -9.373 1.00 0.81 O ATOM 664 CB ARG A 43 1.234 11.574 -8.027 1.00 0.60 C ATOM 665 CG ARG A 43 2.400 11.653 -7.046 1.00 0.85 C ATOM 666 CD ARG A 43 2.139 10.861 -5.776 1.00 0.68 C ATOM 667 NE ARG A 43 1.260 11.578 -4.855 1.00 1.29 N ATOM 668 CZ ARG A 43 1.362 11.508 -3.531 1.00 1.91 C ATOM 669 NH1 ARG A 43 2.308 10.764 -2.972 1.00 2.11 N ATOM 670 NH2 ARG A 43 0.521 12.187 -2.764 1.00 2.62 N ATOM 0 H ARG A 43 -0.195 9.578 -7.626 1.00 0.49 H new ATOM 0 HA ARG A 43 1.060 10.664 -9.969 1.00 0.61 H new ATOM 0 HB2 ARG A 43 1.238 12.470 -8.647 1.00 0.60 H new ATOM 0 HB3 ARG A 43 0.302 11.581 -7.463 1.00 0.60 H new ATOM 0 HG2 ARG A 43 3.303 11.277 -7.527 1.00 0.85 H new ATOM 0 HG3 ARG A 43 2.586 12.696 -6.789 1.00 0.85 H new ATOM 0 HD2 ARG A 43 1.690 9.902 -6.033 1.00 0.68 H new ATOM 0 HD3 ARG A 43 3.086 10.647 -5.281 1.00 0.68 H new ATOM 0 HE ARG A 43 0.526 12.166 -5.250 1.00 1.29 H new ATOM 0 HH11 ARG A 43 2.960 10.243 -3.558 1.00 2.11 H new ATOM 0 HH12 ARG A 43 2.383 10.713 -1.956 1.00 2.11 H new ATOM 0 HH21 ARG A 43 -0.205 12.764 -3.189 1.00 2.62 H new ATOM 0 HH22 ARG A 43 0.600 12.133 -1.748 1.00 2.62 H new ATOM 684 N GLU A 44 2.651 8.420 -8.420 1.00 0.79 N ATOM 685 CA GLU A 44 3.907 7.677 -8.338 1.00 1.09 C ATOM 686 C GLU A 44 3.840 6.365 -9.116 1.00 1.38 C ATOM 687 O GLU A 44 4.492 6.217 -10.149 1.00 2.24 O ATOM 688 CB GLU A 44 4.286 7.409 -6.877 1.00 1.18 C ATOM 689 CG GLU A 44 3.094 7.286 -5.945 1.00 1.05 C ATOM 690 CD GLU A 44 3.477 6.776 -4.571 1.00 1.37 C ATOM 691 OE1 GLU A 44 3.802 7.608 -3.696 1.00 1.47 O ATOM 692 OE2 GLU A 44 3.452 5.544 -4.367 1.00 1.65 O ATOM 0 H GLU A 44 1.836 7.919 -8.065 1.00 0.79 H new ATOM 0 HA GLU A 44 4.679 8.296 -8.794 1.00 1.09 H new ATOM 0 HB2 GLU A 44 4.871 6.491 -6.826 1.00 1.18 H new ATOM 0 HB3 GLU A 44 4.929 8.216 -6.525 1.00 1.18 H new ATOM 0 HG2 GLU A 44 2.613 8.259 -5.846 1.00 1.05 H new ATOM 0 HG3 GLU A 44 2.360 6.612 -6.387 1.00 1.05 H new ATOM 699 N GLN A 45 3.046 5.422 -8.616 1.00 0.72 N ATOM 700 CA GLN A 45 2.903 4.119 -9.259 1.00 0.93 C ATOM 701 C GLN A 45 4.281 3.519 -9.552 1.00 0.74 C ATOM 702 O GLN A 45 4.649 3.324 -10.711 1.00 0.80 O ATOM 703 CB GLN A 45 2.093 4.253 -10.552 1.00 1.18 C ATOM 704 CG GLN A 45 0.798 3.457 -10.543 1.00 1.69 C ATOM 705 CD GLN A 45 1.030 1.958 -10.498 1.00 1.85 C ATOM 706 OE1 GLN A 45 2.126 1.508 -11.100 1.00 2.15 O flip ATOM 707 NE2 GLN A 45 0.232 1.212 -9.932 1.00 2.52 N flip ATOM 0 H GLN A 45 2.492 5.536 -7.767 1.00 0.72 H new ATOM 0 HA GLN A 45 2.370 3.451 -8.583 1.00 0.93 H new ATOM 0 HB2 GLN A 45 1.862 5.305 -10.719 1.00 1.18 H new ATOM 0 HB3 GLN A 45 2.706 3.924 -11.391 1.00 1.18 H new ATOM 0 HG2 GLN A 45 0.200 3.754 -9.681 1.00 1.69 H new ATOM 0 HG3 GLN A 45 0.219 3.704 -11.433 1.00 1.69 H new ATOM 0 HE21 GLN A 45 -0.597 1.599 -9.482 1.00 2.52 H new ATOM 0 HE22 GLN A 45 0.400 0.206 -9.913 1.00 2.52 H new ATOM 716 N PRO A 46 5.063 3.229 -8.493 1.00 0.61 N ATOM 717 CA PRO A 46 6.413 2.663 -8.629 1.00 0.48 C ATOM 718 C PRO A 46 6.481 1.495 -9.609 1.00 0.45 C ATOM 719 O PRO A 46 5.655 0.581 -9.570 1.00 0.61 O ATOM 720 CB PRO A 46 6.737 2.195 -7.211 1.00 0.62 C ATOM 721 CG PRO A 46 5.969 3.120 -6.335 1.00 0.65 C ATOM 722 CD PRO A 46 4.697 3.433 -7.078 1.00 0.75 C ATOM 0 HA PRO A 46 7.116 3.393 -9.031 1.00 0.48 H new ATOM 0 HB2 PRO A 46 6.437 1.159 -7.056 1.00 0.62 H new ATOM 0 HB3 PRO A 46 7.806 2.251 -7.008 1.00 0.62 H new ATOM 0 HG2 PRO A 46 5.755 2.657 -5.372 1.00 0.65 H new ATOM 0 HG3 PRO A 46 6.537 4.028 -6.133 1.00 0.65 H new ATOM 0 HD2 PRO A 46 3.883 2.774 -6.775 1.00 0.75 H new ATOM 0 HD3 PRO A 46 4.365 4.455 -6.893 1.00 0.75 H new ATOM 730 N GLU A 47 7.480 1.540 -10.485 1.00 0.45 N ATOM 731 CA GLU A 47 7.681 0.496 -11.485 1.00 0.52 C ATOM 732 C GLU A 47 8.431 -0.693 -10.893 1.00 0.48 C ATOM 733 O GLU A 47 8.007 -1.840 -11.035 1.00 0.49 O ATOM 734 CB GLU A 47 8.456 1.049 -12.681 1.00 0.65 C ATOM 735 CG GLU A 47 8.829 -0.009 -13.705 1.00 0.87 C ATOM 736 CD GLU A 47 7.616 -0.683 -14.315 1.00 1.35 C ATOM 737 OE1 GLU A 47 7.075 -0.150 -15.307 1.00 1.78 O ATOM 738 OE2 GLU A 47 7.205 -1.745 -13.802 1.00 2.03 O ATOM 0 H GLU A 47 8.167 2.293 -10.523 1.00 0.45 H new ATOM 0 HA GLU A 47 6.700 0.157 -11.817 1.00 0.52 H new ATOM 0 HB2 GLU A 47 7.857 1.818 -13.168 1.00 0.65 H new ATOM 0 HB3 GLU A 47 9.365 1.532 -12.323 1.00 0.65 H new ATOM 0 HG2 GLU A 47 9.422 0.450 -14.497 1.00 0.87 H new ATOM 0 HG3 GLU A 47 9.459 -0.762 -13.231 1.00 0.87 H new ATOM 745 N ASN A 48 9.550 -0.409 -10.236 1.00 0.51 N ATOM 746 CA ASN A 48 10.368 -1.451 -9.620 1.00 0.51 C ATOM 747 C ASN A 48 9.597 -2.176 -8.518 1.00 0.37 C ATOM 748 O ASN A 48 10.052 -3.193 -7.995 1.00 0.55 O ATOM 749 CB ASN A 48 11.651 -0.846 -9.047 1.00 0.64 C ATOM 750 CG ASN A 48 12.455 -0.103 -10.096 1.00 1.34 C ATOM 751 OD1 ASN A 48 12.286 1.101 -10.285 1.00 2.17 O ATOM 752 ND2 ASN A 48 13.334 -0.821 -10.785 1.00 1.77 N ATOM 0 H ASN A 48 9.913 0.536 -10.115 1.00 0.51 H new ATOM 0 HA ASN A 48 10.626 -2.177 -10.391 1.00 0.51 H new ATOM 0 HB2 ASN A 48 11.398 -0.163 -8.236 1.00 0.64 H new ATOM 0 HB3 ASN A 48 12.263 -1.639 -8.617 1.00 0.64 H new ATOM 0 HD21 ASN A 48 13.903 -0.376 -11.505 1.00 1.77 H new ATOM 0 HD22 ASN A 48 13.440 -1.817 -10.594 1.00 1.77 H new ATOM 759 N LEU A 49 8.428 -1.643 -8.177 1.00 0.29 N ATOM 760 CA LEU A 49 7.587 -2.235 -7.141 1.00 0.21 C ATOM 761 C LEU A 49 6.172 -2.438 -7.658 1.00 0.23 C ATOM 762 O LEU A 49 5.249 -2.700 -6.886 1.00 0.28 O ATOM 763 CB LEU A 49 7.561 -1.358 -5.884 1.00 0.34 C ATOM 764 CG LEU A 49 8.831 -1.383 -5.023 1.00 0.34 C ATOM 765 CD1 LEU A 49 9.288 -2.812 -4.765 1.00 0.65 C ATOM 766 CD2 LEU A 49 9.942 -0.575 -5.678 1.00 0.66 C ATOM 0 H LEU A 49 8.041 -0.801 -8.603 1.00 0.29 H new ATOM 0 HA LEU A 49 8.013 -3.203 -6.877 1.00 0.21 H new ATOM 0 HB2 LEU A 49 7.371 -0.328 -6.187 1.00 0.34 H new ATOM 0 HB3 LEU A 49 6.719 -1.669 -5.265 1.00 0.34 H new ATOM 0 HG LEU A 49 8.594 -0.925 -4.062 1.00 0.34 H new ATOM 0 HD11 LEU A 49 10.190 -2.801 -4.153 1.00 0.65 H new ATOM 0 HD12 LEU A 49 8.502 -3.357 -4.243 1.00 0.65 H new ATOM 0 HD13 LEU A 49 9.500 -3.303 -5.715 1.00 0.65 H new ATOM 0 HD21 LEU A 49 10.833 -0.606 -5.051 1.00 0.66 H new ATOM 0 HD22 LEU A 49 10.172 -0.998 -6.656 1.00 0.66 H new ATOM 0 HD23 LEU A 49 9.618 0.459 -5.797 1.00 0.66 H new ATOM 778 N ARG A 50 6.008 -2.319 -8.970 1.00 0.27 N ATOM 779 CA ARG A 50 4.707 -2.492 -9.594 1.00 0.33 C ATOM 780 C ARG A 50 4.179 -3.890 -9.318 1.00 0.33 C ATOM 781 O ARG A 50 2.974 -4.126 -9.324 1.00 0.43 O ATOM 782 CB ARG A 50 4.805 -2.254 -11.099 1.00 0.41 C ATOM 783 CG ARG A 50 3.458 -2.190 -11.796 1.00 1.10 C ATOM 784 CD ARG A 50 3.613 -1.827 -13.263 1.00 1.23 C ATOM 785 NE ARG A 50 2.325 -1.577 -13.903 1.00 1.88 N ATOM 786 CZ ARG A 50 2.186 -0.936 -15.061 1.00 2.37 C ATOM 787 NH1 ARG A 50 3.254 -0.488 -15.707 1.00 2.41 N ATOM 788 NH2 ARG A 50 0.977 -0.745 -15.574 1.00 3.19 N ATOM 0 H ARG A 50 6.763 -2.103 -9.621 1.00 0.27 H new ATOM 0 HA ARG A 50 4.016 -1.763 -9.171 1.00 0.33 H new ATOM 0 HB2 ARG A 50 5.340 -1.321 -11.276 1.00 0.41 H new ATOM 0 HB3 ARG A 50 5.398 -3.052 -11.546 1.00 0.41 H new ATOM 0 HG2 ARG A 50 2.955 -3.153 -11.709 1.00 1.10 H new ATOM 0 HG3 ARG A 50 2.825 -1.453 -11.302 1.00 1.10 H new ATOM 0 HD2 ARG A 50 4.241 -0.940 -13.353 1.00 1.23 H new ATOM 0 HD3 ARG A 50 4.126 -2.635 -13.784 1.00 1.23 H new ATOM 0 HE ARG A 50 1.483 -1.913 -13.436 1.00 1.88 H new ATOM 0 HH11 ARG A 50 4.185 -0.634 -15.317 1.00 2.41 H new ATOM 0 HH12 ARG A 50 3.145 0.003 -16.594 1.00 2.41 H new ATOM 0 HH21 ARG A 50 0.153 -1.090 -15.081 1.00 3.19 H new ATOM 0 HH22 ARG A 50 0.871 -0.254 -16.462 1.00 3.19 H new ATOM 802 N THR A 51 5.101 -4.812 -9.069 1.00 0.27 N ATOM 803 CA THR A 51 4.746 -6.190 -8.776 1.00 0.28 C ATOM 804 C THR A 51 4.129 -6.291 -7.388 1.00 0.25 C ATOM 805 O THR A 51 3.090 -6.924 -7.202 1.00 0.30 O ATOM 806 CB THR A 51 5.980 -7.108 -8.852 1.00 0.29 C ATOM 807 OG1 THR A 51 6.564 -7.037 -10.158 1.00 0.35 O ATOM 808 CG2 THR A 51 5.608 -8.548 -8.539 1.00 0.36 C ATOM 0 H THR A 51 6.104 -4.626 -9.065 1.00 0.27 H new ATOM 0 HA THR A 51 4.022 -6.514 -9.523 1.00 0.28 H new ATOM 0 HB THR A 51 6.702 -6.767 -8.110 1.00 0.29 H new ATOM 0 HG1 THR A 51 7.349 -7.622 -10.198 1.00 0.35 H new ATOM 0 HG21 THR A 51 6.498 -9.175 -8.600 1.00 0.36 H new ATOM 0 HG22 THR A 51 5.191 -8.606 -7.533 1.00 0.36 H new ATOM 0 HG23 THR A 51 4.868 -8.897 -9.259 1.00 0.36 H new ATOM 816 N TYR A 52 4.777 -5.652 -6.419 1.00 0.20 N ATOM 817 CA TYR A 52 4.308 -5.648 -5.043 1.00 0.19 C ATOM 818 C TYR A 52 2.892 -5.082 -4.963 1.00 0.18 C ATOM 819 O TYR A 52 2.000 -5.699 -4.383 1.00 0.22 O ATOM 820 CB TYR A 52 5.270 -4.822 -4.183 1.00 0.21 C ATOM 821 CG TYR A 52 5.162 -5.085 -2.698 1.00 0.27 C ATOM 822 CD1 TYR A 52 5.090 -6.381 -2.208 1.00 0.41 C ATOM 823 CD2 TYR A 52 5.144 -4.037 -1.786 1.00 0.27 C ATOM 824 CE1 TYR A 52 5.000 -6.627 -0.854 1.00 0.50 C ATOM 825 CE2 TYR A 52 5.056 -4.274 -0.430 1.00 0.35 C ATOM 826 CZ TYR A 52 4.983 -5.572 0.032 1.00 0.46 C ATOM 827 OH TYR A 52 4.896 -5.814 1.384 1.00 0.56 O ATOM 0 H TYR A 52 5.638 -5.125 -6.567 1.00 0.20 H new ATOM 0 HA TYR A 52 4.282 -6.671 -4.668 1.00 0.19 H new ATOM 0 HB2 TYR A 52 6.292 -5.027 -4.503 1.00 0.21 H new ATOM 0 HB3 TYR A 52 5.085 -3.764 -4.367 1.00 0.21 H new ATOM 0 HD1 TYR A 52 5.105 -7.211 -2.899 1.00 0.41 H new ATOM 0 HD2 TYR A 52 5.200 -3.020 -2.145 1.00 0.27 H new ATOM 0 HE1 TYR A 52 4.943 -7.642 -0.490 1.00 0.50 H new ATOM 0 HE2 TYR A 52 5.044 -3.448 0.266 1.00 0.35 H new ATOM 0 HH TYR A 52 4.897 -4.963 1.869 1.00 0.56 H new ATOM 837 N PHE A 53 2.697 -3.900 -5.546 1.00 0.17 N ATOM 838 CA PHE A 53 1.387 -3.252 -5.560 1.00 0.18 C ATOM 839 C PHE A 53 0.320 -4.199 -6.099 1.00 0.16 C ATOM 840 O PHE A 53 -0.842 -4.109 -5.710 1.00 0.19 O ATOM 841 CB PHE A 53 1.463 -1.949 -6.374 1.00 0.20 C ATOM 842 CG PHE A 53 0.212 -1.548 -7.119 1.00 0.24 C ATOM 843 CD1 PHE A 53 -0.183 -2.242 -8.254 1.00 0.32 C ATOM 844 CD2 PHE A 53 -0.584 -0.503 -6.669 1.00 0.29 C ATOM 845 CE1 PHE A 53 -1.343 -1.897 -8.928 1.00 0.37 C ATOM 846 CE2 PHE A 53 -1.741 -0.156 -7.338 1.00 0.36 C ATOM 847 CZ PHE A 53 -2.067 -0.765 -8.512 1.00 0.37 C ATOM 0 H PHE A 53 3.432 -3.371 -6.016 1.00 0.17 H new ATOM 0 HA PHE A 53 1.099 -2.998 -4.540 1.00 0.18 H new ATOM 0 HB2 PHE A 53 1.732 -1.138 -5.697 1.00 0.20 H new ATOM 0 HB3 PHE A 53 2.275 -2.044 -7.095 1.00 0.20 H new ATOM 0 HD1 PHE A 53 0.421 -3.061 -8.616 1.00 0.32 H new ATOM 0 HD2 PHE A 53 -0.295 0.045 -5.785 1.00 0.29 H new ATOM 0 HE1 PHE A 53 -1.687 -2.490 -9.763 1.00 0.37 H new ATOM 0 HE2 PHE A 53 -2.391 0.603 -6.928 1.00 0.36 H new ATOM 0 HZ PHE A 53 -2.875 -0.382 -9.118 1.00 0.37 H new ATOM 857 N MET A 54 0.719 -5.105 -6.991 1.00 0.18 N ATOM 858 CA MET A 54 -0.209 -6.080 -7.561 1.00 0.22 C ATOM 859 C MET A 54 -0.474 -7.191 -6.558 1.00 0.25 C ATOM 860 O MET A 54 -1.604 -7.650 -6.402 1.00 0.27 O ATOM 861 CB MET A 54 0.358 -6.672 -8.853 1.00 0.27 C ATOM 862 CG MET A 54 0.486 -5.664 -9.982 1.00 1.07 C ATOM 863 SD MET A 54 -1.107 -5.218 -10.703 1.00 1.58 S ATOM 864 CE MET A 54 -1.618 -6.789 -11.394 1.00 1.82 C ATOM 0 H MET A 54 1.676 -5.184 -7.334 1.00 0.18 H new ATOM 0 HA MET A 54 -1.145 -5.572 -7.792 1.00 0.22 H new ATOM 0 HB2 MET A 54 1.339 -7.099 -8.646 1.00 0.27 H new ATOM 0 HB3 MET A 54 -0.284 -7.490 -9.179 1.00 0.27 H new ATOM 0 HG2 MET A 54 0.975 -4.765 -9.607 1.00 1.07 H new ATOM 0 HG3 MET A 54 1.129 -6.076 -10.760 1.00 1.07 H new ATOM 0 HE1 MET A 54 -2.338 -6.618 -12.194 1.00 1.82 H new ATOM 0 HE2 MET A 54 -0.748 -7.311 -11.793 1.00 1.82 H new ATOM 0 HE3 MET A 54 -2.079 -7.396 -10.615 1.00 1.82 H new ATOM 874 N GLU A 55 0.588 -7.627 -5.886 1.00 0.26 N ATOM 875 CA GLU A 55 0.482 -8.675 -4.879 1.00 0.31 C ATOM 876 C GLU A 55 -0.527 -8.263 -3.824 1.00 0.30 C ATOM 877 O GLU A 55 -1.379 -9.050 -3.416 1.00 0.37 O ATOM 878 CB GLU A 55 1.845 -8.932 -4.235 1.00 0.33 C ATOM 879 CG GLU A 55 2.905 -9.396 -5.220 1.00 0.41 C ATOM 880 CD GLU A 55 4.166 -9.879 -4.532 1.00 1.06 C ATOM 881 OE1 GLU A 55 5.065 -9.047 -4.290 1.00 1.84 O ATOM 882 OE2 GLU A 55 4.255 -11.089 -4.234 1.00 0.92 O ATOM 0 H GLU A 55 1.533 -7.269 -6.022 1.00 0.26 H new ATOM 0 HA GLU A 55 0.147 -9.596 -5.356 1.00 0.31 H new ATOM 0 HB2 GLU A 55 2.187 -8.018 -3.750 1.00 0.33 H new ATOM 0 HB3 GLU A 55 1.733 -9.684 -3.454 1.00 0.33 H new ATOM 0 HG2 GLU A 55 2.499 -10.200 -5.833 1.00 0.41 H new ATOM 0 HG3 GLU A 55 3.154 -8.576 -5.894 1.00 0.41 H new ATOM 889 N ARG A 56 -0.415 -7.019 -3.384 1.00 0.29 N ATOM 890 CA ARG A 56 -1.337 -6.481 -2.405 1.00 0.32 C ATOM 891 C ARG A 56 -2.663 -6.185 -3.085 1.00 0.28 C ATOM 892 O ARG A 56 -3.723 -6.336 -2.489 1.00 0.29 O ATOM 893 CB ARG A 56 -0.768 -5.210 -1.771 1.00 0.40 C ATOM 894 CG ARG A 56 -0.784 -5.232 -0.251 1.00 0.74 C ATOM 895 CD ARG A 56 0.158 -6.292 0.300 1.00 0.84 C ATOM 896 NE ARG A 56 0.160 -6.316 1.760 1.00 1.54 N ATOM 897 CZ ARG A 56 0.916 -7.136 2.483 1.00 1.82 C ATOM 898 NH1 ARG A 56 1.732 -7.993 1.886 1.00 1.80 N ATOM 899 NH2 ARG A 56 0.856 -7.098 3.807 1.00 2.57 N ATOM 0 H ARG A 56 0.306 -6.366 -3.691 1.00 0.29 H new ATOM 0 HA ARG A 56 -1.489 -7.213 -1.612 1.00 0.32 H new ATOM 0 HB2 ARG A 56 0.257 -5.070 -2.114 1.00 0.40 H new ATOM 0 HB3 ARG A 56 -1.341 -4.351 -2.120 1.00 0.40 H new ATOM 0 HG2 ARG A 56 -0.496 -4.253 0.131 1.00 0.74 H new ATOM 0 HG3 ARG A 56 -1.797 -5.426 0.101 1.00 0.74 H new ATOM 0 HD2 ARG A 56 -0.137 -7.271 -0.078 1.00 0.84 H new ATOM 0 HD3 ARG A 56 1.169 -6.102 -0.061 1.00 0.84 H new ATOM 0 HE ARG A 56 -0.453 -5.667 2.253 1.00 1.54 H new ATOM 0 HH11 ARG A 56 1.782 -8.025 0.868 1.00 1.80 H new ATOM 0 HH12 ARG A 56 2.310 -8.620 2.445 1.00 1.80 H new ATOM 0 HH21 ARG A 56 0.230 -6.440 4.270 1.00 2.57 H new ATOM 0 HH22 ARG A 56 1.436 -7.727 4.362 1.00 2.57 H new ATOM 913 N LEU A 57 -2.586 -5.763 -4.348 1.00 0.29 N ATOM 914 CA LEU A 57 -3.775 -5.454 -5.136 1.00 0.34 C ATOM 915 C LEU A 57 -4.749 -6.627 -5.156 1.00 0.32 C ATOM 916 O LEU A 57 -5.956 -6.450 -5.018 1.00 0.40 O ATOM 917 CB LEU A 57 -3.391 -5.086 -6.568 1.00 0.45 C ATOM 918 CG LEU A 57 -4.563 -4.974 -7.544 1.00 0.58 C ATOM 919 CD1 LEU A 57 -5.436 -3.778 -7.199 1.00 1.09 C ATOM 920 CD2 LEU A 57 -4.061 -4.873 -8.975 1.00 1.03 C ATOM 0 H LEU A 57 -1.707 -5.628 -4.847 1.00 0.29 H new ATOM 0 HA LEU A 57 -4.266 -4.603 -4.664 1.00 0.34 H new ATOM 0 HB2 LEU A 57 -2.859 -4.135 -6.552 1.00 0.45 H new ATOM 0 HB3 LEU A 57 -2.694 -5.835 -6.945 1.00 0.45 H new ATOM 0 HG LEU A 57 -5.168 -5.877 -7.456 1.00 0.58 H new ATOM 0 HD11 LEU A 57 -6.264 -3.716 -7.905 1.00 1.09 H new ATOM 0 HD12 LEU A 57 -5.829 -3.893 -6.189 1.00 1.09 H new ATOM 0 HD13 LEU A 57 -4.842 -2.866 -7.255 1.00 1.09 H new ATOM 0 HD21 LEU A 57 -4.910 -4.794 -9.654 1.00 1.03 H new ATOM 0 HD22 LEU A 57 -3.431 -3.990 -9.078 1.00 1.03 H new ATOM 0 HD23 LEU A 57 -3.481 -5.763 -9.221 1.00 1.03 H new ATOM 932 N ARG A 58 -4.218 -7.826 -5.336 1.00 0.33 N ATOM 933 CA ARG A 58 -5.045 -9.022 -5.385 1.00 0.40 C ATOM 934 C ARG A 58 -5.447 -9.467 -3.988 1.00 0.39 C ATOM 935 O ARG A 58 -6.566 -9.925 -3.768 1.00 0.47 O ATOM 936 CB ARG A 58 -4.298 -10.146 -6.099 1.00 0.49 C ATOM 937 CG ARG A 58 -2.956 -10.495 -5.476 1.00 0.55 C ATOM 938 CD ARG A 58 -2.288 -11.646 -6.211 1.00 0.67 C ATOM 939 NE ARG A 58 -1.027 -12.040 -5.590 1.00 1.20 N ATOM 940 CZ ARG A 58 -0.324 -13.106 -5.958 1.00 1.40 C ATOM 941 NH1 ARG A 58 -0.755 -13.881 -6.946 1.00 0.89 N ATOM 942 NH2 ARG A 58 0.812 -13.399 -5.342 1.00 2.29 N ATOM 0 H ARG A 58 -3.219 -7.997 -5.451 1.00 0.33 H new ATOM 0 HA ARG A 58 -5.953 -8.785 -5.940 1.00 0.40 H new ATOM 0 HB2 ARG A 58 -4.926 -11.037 -6.106 1.00 0.49 H new ATOM 0 HB3 ARG A 58 -4.140 -9.859 -7.139 1.00 0.49 H new ATOM 0 HG2 ARG A 58 -2.305 -9.621 -5.496 1.00 0.55 H new ATOM 0 HG3 ARG A 58 -3.097 -10.763 -4.429 1.00 0.55 H new ATOM 0 HD2 ARG A 58 -2.963 -12.501 -6.233 1.00 0.67 H new ATOM 0 HD3 ARG A 58 -2.106 -11.357 -7.246 1.00 0.67 H new ATOM 0 HE ARG A 58 -0.665 -11.464 -4.830 1.00 1.20 H new ATOM 0 HH11 ARG A 58 -1.628 -13.659 -7.425 1.00 0.89 H new ATOM 0 HH12 ARG A 58 -0.213 -14.699 -7.226 1.00 0.89 H new ATOM 0 HH21 ARG A 58 1.149 -12.806 -4.584 1.00 2.29 H new ATOM 0 HH22 ARG A 58 1.350 -14.218 -5.626 1.00 2.29 H new ATOM 956 N HIS A 59 -4.529 -9.310 -3.047 1.00 0.38 N ATOM 957 CA HIS A 59 -4.768 -9.711 -1.661 1.00 0.50 C ATOM 958 C HIS A 59 -5.875 -8.887 -0.998 1.00 0.44 C ATOM 959 O HIS A 59 -6.869 -9.438 -0.504 1.00 0.46 O ATOM 960 CB HIS A 59 -3.476 -9.593 -0.852 1.00 0.68 C ATOM 961 CG HIS A 59 -3.584 -10.133 0.539 1.00 1.36 C ATOM 962 ND1 HIS A 59 -3.341 -11.453 0.855 1.00 1.75 N ATOM 963 CD2 HIS A 59 -3.907 -9.522 1.706 1.00 2.34 C ATOM 964 CE1 HIS A 59 -3.509 -11.632 2.153 1.00 2.36 C ATOM 965 NE2 HIS A 59 -3.850 -10.477 2.692 1.00 2.78 N ATOM 0 H HIS A 59 -3.607 -8.907 -3.214 1.00 0.38 H new ATOM 0 HA HIS A 59 -5.101 -10.749 -1.678 1.00 0.50 H new ATOM 0 HB2 HIS A 59 -2.680 -10.122 -1.376 1.00 0.68 H new ATOM 0 HB3 HIS A 59 -3.183 -8.544 -0.803 1.00 0.68 H new ATOM 0 HD2 HIS A 59 -4.161 -8.480 1.836 1.00 2.34 H new ATOM 0 HE1 HIS A 59 -3.388 -12.565 2.683 1.00 2.36 H new ATOM 0 HE2 HIS A 59 -4.041 -10.319 3.681 1.00 2.78 H new ATOM 974 N TYR A 60 -5.725 -7.569 -0.997 1.00 0.49 N ATOM 975 CA TYR A 60 -6.722 -6.729 -0.365 1.00 0.63 C ATOM 976 C TYR A 60 -8.007 -6.744 -1.183 1.00 0.51 C ATOM 977 O TYR A 60 -9.074 -6.423 -0.677 1.00 0.55 O ATOM 978 CB TYR A 60 -6.198 -5.319 -0.095 1.00 0.94 C ATOM 979 CG TYR A 60 -6.315 -4.374 -1.247 1.00 0.47 C ATOM 980 CD1 TYR A 60 -6.143 -4.818 -2.541 1.00 0.97 C ATOM 981 CD2 TYR A 60 -6.605 -3.044 -1.040 1.00 1.22 C ATOM 982 CE1 TYR A 60 -6.260 -3.955 -3.601 1.00 1.87 C ATOM 983 CE2 TYR A 60 -6.718 -2.178 -2.084 1.00 2.23 C ATOM 984 CZ TYR A 60 -6.515 -2.634 -3.375 1.00 2.50 C ATOM 985 OH TYR A 60 -6.683 -1.752 -4.415 1.00 3.56 O ATOM 0 H TYR A 60 -4.940 -7.071 -1.417 1.00 0.49 H new ATOM 0 HA TYR A 60 -6.953 -7.140 0.618 1.00 0.63 H new ATOM 0 HB2 TYR A 60 -6.739 -4.902 0.755 1.00 0.94 H new ATOM 0 HB3 TYR A 60 -5.150 -5.386 0.196 1.00 0.94 H new ATOM 0 HD1 TYR A 60 -5.913 -5.858 -2.722 1.00 0.97 H new ATOM 0 HD2 TYR A 60 -6.745 -2.682 -0.032 1.00 1.22 H new ATOM 0 HE1 TYR A 60 -6.151 -4.320 -4.611 1.00 1.87 H new ATOM 0 HE2 TYR A 60 -6.964 -1.142 -1.906 1.00 2.23 H new ATOM 0 HH TYR A 60 -5.903 -1.161 -4.472 1.00 3.56 H new ATOM 995 N ARG A 61 -7.900 -7.097 -2.460 1.00 0.49 N ATOM 996 CA ARG A 61 -9.085 -7.220 -3.290 1.00 0.60 C ATOM 997 C ARG A 61 -9.922 -8.375 -2.755 1.00 0.51 C ATOM 998 O ARG A 61 -11.151 -8.348 -2.793 1.00 0.58 O ATOM 999 CB ARG A 61 -8.707 -7.468 -4.753 1.00 0.74 C ATOM 1000 CG ARG A 61 -9.905 -7.695 -5.661 1.00 1.16 C ATOM 1001 CD ARG A 61 -9.476 -7.938 -7.099 1.00 1.30 C ATOM 1002 NE ARG A 61 -10.620 -8.163 -7.978 1.00 2.29 N ATOM 1003 CZ ARG A 61 -10.538 -8.196 -9.305 1.00 2.72 C ATOM 1004 NH1 ARG A 61 -9.371 -8.014 -9.906 1.00 2.33 N ATOM 1005 NH2 ARG A 61 -11.626 -8.412 -10.033 1.00 3.83 N ATOM 0 H ARG A 61 -7.019 -7.299 -2.933 1.00 0.49 H new ATOM 0 HA ARG A 61 -9.656 -6.292 -3.254 1.00 0.60 H new ATOM 0 HB2 ARG A 61 -8.138 -6.615 -5.122 1.00 0.74 H new ATOM 0 HB3 ARG A 61 -8.050 -8.336 -4.808 1.00 0.74 H new ATOM 0 HG2 ARG A 61 -10.478 -8.550 -5.302 1.00 1.16 H new ATOM 0 HG3 ARG A 61 -10.565 -6.828 -5.618 1.00 1.16 H new ATOM 0 HD2 ARG A 61 -8.906 -7.081 -7.457 1.00 1.30 H new ATOM 0 HD3 ARG A 61 -8.812 -8.802 -7.139 1.00 1.30 H new ATOM 0 HE ARG A 61 -11.535 -8.303 -7.550 1.00 2.29 H new ATOM 0 HH11 ARG A 61 -8.532 -7.848 -9.351 1.00 2.33 H new ATOM 0 HH12 ARG A 61 -9.312 -8.040 -10.924 1.00 2.33 H new ATOM 0 HH21 ARG A 61 -12.526 -8.553 -9.575 1.00 3.83 H new ATOM 0 HH22 ARG A 61 -11.562 -8.437 -11.051 1.00 3.83 H new ATOM 1019 N GLN A 62 -9.221 -9.381 -2.230 1.00 0.42 N ATOM 1020 CA GLN A 62 -9.868 -10.560 -1.668 1.00 0.44 C ATOM 1021 C GLN A 62 -10.813 -10.172 -0.536 1.00 0.34 C ATOM 1022 O GLN A 62 -11.988 -10.559 -0.533 1.00 0.41 O ATOM 1023 CB GLN A 62 -8.838 -11.563 -1.151 1.00 0.49 C ATOM 1024 CG GLN A 62 -7.907 -12.103 -2.221 1.00 0.65 C ATOM 1025 CD GLN A 62 -8.579 -12.337 -3.564 1.00 1.17 C ATOM 1026 OE1 GLN A 62 -9.756 -12.692 -3.636 1.00 1.68 O ATOM 1027 NE2 GLN A 62 -7.824 -12.137 -4.640 1.00 1.32 N ATOM 0 H GLN A 62 -8.202 -9.400 -2.184 1.00 0.42 H new ATOM 0 HA GLN A 62 -10.441 -11.028 -2.468 1.00 0.44 H new ATOM 0 HB2 GLN A 62 -8.242 -11.087 -0.373 1.00 0.49 H new ATOM 0 HB3 GLN A 62 -9.362 -12.398 -0.685 1.00 0.49 H new ATOM 0 HG2 GLN A 62 -7.081 -11.404 -2.356 1.00 0.65 H new ATOM 0 HG3 GLN A 62 -7.476 -13.042 -1.873 1.00 0.65 H new ATOM 0 HE21 GLN A 62 -6.853 -11.843 -4.534 1.00 1.32 H new ATOM 0 HE22 GLN A 62 -8.216 -12.278 -5.571 1.00 1.32 H new ATOM 1036 N LEU A 63 -10.313 -9.392 0.422 1.00 0.31 N ATOM 1037 CA LEU A 63 -11.154 -8.991 1.537 1.00 0.40 C ATOM 1038 C LEU A 63 -11.926 -7.734 1.200 1.00 0.49 C ATOM 1039 O LEU A 63 -12.795 -7.312 1.943 1.00 0.75 O ATOM 1040 CB LEU A 63 -10.386 -8.875 2.858 1.00 0.62 C ATOM 1041 CG LEU A 63 -9.037 -8.169 2.828 1.00 0.66 C ATOM 1042 CD1 LEU A 63 -7.958 -9.072 2.252 1.00 1.45 C ATOM 1043 CD2 LEU A 63 -9.159 -6.900 2.036 1.00 1.57 C ATOM 0 H LEU A 63 -9.357 -9.036 0.446 1.00 0.31 H new ATOM 0 HA LEU A 63 -11.877 -9.791 1.699 1.00 0.40 H new ATOM 0 HB2 LEU A 63 -11.023 -8.353 3.572 1.00 0.62 H new ATOM 0 HB3 LEU A 63 -10.230 -9.882 3.246 1.00 0.62 H new ATOM 0 HG LEU A 63 -8.741 -7.925 3.848 1.00 0.66 H new ATOM 0 HD11 LEU A 63 -7.006 -8.541 2.243 1.00 1.45 H new ATOM 0 HD12 LEU A 63 -7.868 -9.968 2.866 1.00 1.45 H new ATOM 0 HD13 LEU A 63 -8.225 -9.355 1.234 1.00 1.45 H new ATOM 0 HD21 LEU A 63 -8.195 -6.392 2.012 1.00 1.57 H new ATOM 0 HD22 LEU A 63 -9.470 -7.135 1.018 1.00 1.57 H new ATOM 0 HD23 LEU A 63 -9.900 -6.250 2.501 1.00 1.57 H new ATOM 1055 N SER A 64 -11.579 -7.134 0.080 1.00 0.43 N ATOM 1056 CA SER A 64 -12.305 -5.962 -0.403 1.00 0.60 C ATOM 1057 C SER A 64 -13.689 -6.429 -0.821 1.00 0.76 C ATOM 1058 O SER A 64 -14.633 -5.649 -0.938 1.00 0.99 O ATOM 1059 CB SER A 64 -11.596 -5.301 -1.587 1.00 0.65 C ATOM 1060 OG SER A 64 -10.546 -4.457 -1.150 1.00 1.62 O ATOM 0 H SER A 64 -10.805 -7.431 -0.514 1.00 0.43 H new ATOM 0 HA SER A 64 -12.359 -5.215 0.389 1.00 0.60 H new ATOM 0 HB2 SER A 64 -11.197 -6.069 -2.250 1.00 0.65 H new ATOM 0 HB3 SER A 64 -12.314 -4.721 -2.167 1.00 0.65 H new ATOM 0 HG SER A 64 -9.815 -5.003 -0.791 1.00 1.62 H new ATOM 1066 N LEU A 65 -13.772 -7.733 -1.048 1.00 0.70 N ATOM 1067 CA LEU A 65 -15.018 -8.381 -1.416 1.00 0.88 C ATOM 1068 C LEU A 65 -15.778 -8.766 -0.155 1.00 0.97 C ATOM 1069 O LEU A 65 -16.976 -8.518 -0.041 1.00 1.35 O ATOM 1070 CB LEU A 65 -14.753 -9.629 -2.264 1.00 0.91 C ATOM 1071 CG LEU A 65 -13.963 -9.389 -3.550 1.00 1.53 C ATOM 1072 CD1 LEU A 65 -13.685 -10.706 -4.256 1.00 2.32 C ATOM 1073 CD2 LEU A 65 -14.713 -8.438 -4.471 1.00 1.80 C ATOM 0 H LEU A 65 -12.977 -8.368 -0.982 1.00 0.70 H new ATOM 0 HA LEU A 65 -15.613 -7.686 -2.008 1.00 0.88 H new ATOM 0 HB2 LEU A 65 -14.213 -10.354 -1.655 1.00 0.91 H new ATOM 0 HB3 LEU A 65 -15.710 -10.081 -2.524 1.00 0.91 H new ATOM 0 HG LEU A 65 -13.010 -8.930 -3.287 1.00 1.53 H new ATOM 0 HD11 LEU A 65 -13.122 -10.517 -5.170 1.00 2.32 H new ATOM 0 HD12 LEU A 65 -13.105 -11.355 -3.600 1.00 2.32 H new ATOM 0 HD13 LEU A 65 -14.629 -11.191 -4.505 1.00 2.32 H new ATOM 0 HD21 LEU A 65 -14.134 -8.280 -5.381 1.00 1.80 H new ATOM 0 HD22 LEU A 65 -15.681 -8.868 -4.727 1.00 1.80 H new ATOM 0 HD23 LEU A 65 -14.862 -7.484 -3.966 1.00 1.80 H new ATOM 1085 N GLN A 66 -15.071 -9.388 0.787 1.00 0.75 N ATOM 1086 CA GLN A 66 -15.683 -9.805 2.049 1.00 0.88 C ATOM 1087 C GLN A 66 -15.996 -8.617 2.969 1.00 0.97 C ATOM 1088 O GLN A 66 -16.993 -8.638 3.688 1.00 1.15 O ATOM 1089 CB GLN A 66 -14.787 -10.833 2.760 1.00 0.83 C ATOM 1090 CG GLN A 66 -13.748 -10.247 3.711 1.00 0.81 C ATOM 1091 CD GLN A 66 -14.325 -9.919 5.077 1.00 0.93 C ATOM 1092 OE1 GLN A 66 -14.464 -8.632 5.363 1.00 0.97 O flip ATOM 1093 NE2 GLN A 66 -14.611 -10.811 5.874 1.00 1.04 N flip ATOM 0 H GLN A 66 -14.080 -9.614 0.702 1.00 0.75 H new ATOM 0 HA GLN A 66 -16.638 -10.273 1.810 1.00 0.88 H new ATOM 0 HB2 GLN A 66 -15.423 -11.518 3.321 1.00 0.83 H new ATOM 0 HB3 GLN A 66 -14.270 -11.424 2.004 1.00 0.83 H new ATOM 0 HG2 GLN A 66 -12.928 -10.955 3.828 1.00 0.81 H new ATOM 0 HG3 GLN A 66 -13.328 -9.342 3.271 1.00 0.81 H new ATOM 0 HE21 GLN A 66 -14.488 -11.789 5.611 1.00 1.04 H new ATOM 0 HE22 GLN A 66 -14.971 -10.573 6.798 1.00 1.04 H new ATOM 1102 N LEU A 67 -15.156 -7.583 2.945 1.00 0.88 N ATOM 1103 CA LEU A 67 -15.364 -6.404 3.796 1.00 1.03 C ATOM 1104 C LEU A 67 -16.746 -5.790 3.565 1.00 1.14 C ATOM 1105 O LEU A 67 -17.438 -6.156 2.617 1.00 1.17 O ATOM 1106 CB LEU A 67 -14.251 -5.369 3.582 1.00 0.95 C ATOM 1107 CG LEU A 67 -13.226 -5.279 4.722 1.00 1.23 C ATOM 1108 CD1 LEU A 67 -12.212 -6.400 4.623 1.00 1.87 C ATOM 1109 CD2 LEU A 67 -12.520 -3.931 4.721 1.00 1.86 C ATOM 0 H LEU A 67 -14.329 -7.534 2.350 1.00 0.88 H new ATOM 0 HA LEU A 67 -15.320 -6.730 4.835 1.00 1.03 H new ATOM 0 HB2 LEU A 67 -13.725 -5.608 2.658 1.00 0.95 H new ATOM 0 HB3 LEU A 67 -14.707 -4.389 3.445 1.00 0.95 H new ATOM 0 HG LEU A 67 -13.768 -5.380 5.662 1.00 1.23 H new ATOM 0 HD11 LEU A 67 -11.496 -6.316 5.441 1.00 1.87 H new ATOM 0 HD12 LEU A 67 -12.724 -7.360 4.686 1.00 1.87 H new ATOM 0 HD13 LEU A 67 -11.685 -6.331 3.671 1.00 1.87 H new ATOM 0 HD21 LEU A 67 -11.800 -3.897 5.539 1.00 1.86 H new ATOM 0 HD22 LEU A 67 -11.999 -3.794 3.773 1.00 1.86 H new ATOM 0 HD23 LEU A 67 -13.254 -3.136 4.850 1.00 1.86 H new ATOM 1121 N PRO A 68 -17.168 -4.841 4.427 1.00 1.32 N ATOM 1122 CA PRO A 68 -18.490 -4.205 4.325 1.00 1.51 C ATOM 1123 C PRO A 68 -18.669 -3.380 3.057 1.00 1.30 C ATOM 1124 O PRO A 68 -17.887 -3.487 2.111 1.00 1.48 O ATOM 1125 CB PRO A 68 -18.531 -3.306 5.561 1.00 1.82 C ATOM 1126 CG PRO A 68 -17.107 -2.983 5.791 1.00 1.71 C ATOM 1127 CD PRO A 68 -16.399 -4.279 5.557 1.00 1.46 C ATOM 0 HA PRO A 68 -19.290 -4.944 4.277 1.00 1.51 H new ATOM 0 HB2 PRO A 68 -19.124 -2.408 5.387 1.00 1.82 H new ATOM 0 HB3 PRO A 68 -18.971 -3.818 6.417 1.00 1.82 H new ATOM 0 HG2 PRO A 68 -16.758 -2.209 5.108 1.00 1.71 H new ATOM 0 HG3 PRO A 68 -16.940 -2.614 6.803 1.00 1.71 H new ATOM 0 HD2 PRO A 68 -15.349 -4.132 5.305 1.00 1.46 H new ATOM 0 HD3 PRO A 68 -16.428 -4.926 6.434 1.00 1.46 H new ATOM 1135 N LYS A 69 -19.711 -2.553 3.054 1.00 1.27 N ATOM 1136 CA LYS A 69 -20.026 -1.703 1.909 1.00 1.31 C ATOM 1137 C LYS A 69 -20.207 -2.541 0.644 1.00 1.57 C ATOM 1138 O LYS A 69 -21.148 -3.328 0.544 1.00 2.36 O ATOM 1139 CB LYS A 69 -18.935 -0.646 1.712 1.00 2.04 C ATOM 1140 CG LYS A 69 -18.736 0.263 2.917 1.00 2.94 C ATOM 1141 CD LYS A 69 -19.993 1.062 3.230 1.00 3.72 C ATOM 1142 CE LYS A 69 -19.749 2.074 4.339 1.00 4.17 C ATOM 1143 NZ LYS A 69 -20.980 2.841 4.674 1.00 4.86 N ATOM 0 H LYS A 69 -20.356 -2.453 3.838 1.00 1.27 H new ATOM 0 HA LYS A 69 -20.967 -1.191 2.109 1.00 1.31 H new ATOM 0 HB2 LYS A 69 -17.993 -1.147 1.487 1.00 2.04 H new ATOM 0 HB3 LYS A 69 -19.186 -0.035 0.845 1.00 2.04 H new ATOM 0 HG2 LYS A 69 -18.460 -0.337 3.784 1.00 2.94 H new ATOM 0 HG3 LYS A 69 -17.908 0.946 2.726 1.00 2.94 H new ATOM 0 HD2 LYS A 69 -20.330 1.579 2.332 1.00 3.72 H new ATOM 0 HD3 LYS A 69 -20.793 0.383 3.525 1.00 3.72 H new ATOM 0 HE2 LYS A 69 -19.390 1.557 5.229 1.00 4.17 H new ATOM 0 HE3 LYS A 69 -18.963 2.765 4.033 1.00 4.17 H new ATOM 0 HZ1 LYS A 69 -20.770 3.519 5.434 1.00 4.86 H new ATOM 0 HZ2 LYS A 69 -21.309 3.355 3.832 1.00 4.86 H new ATOM 0 HZ3 LYS A 69 -21.722 2.185 4.991 1.00 4.86 H new ATOM 1157 N GLY A 70 -19.306 -2.371 -0.319 1.00 1.95 N ATOM 1158 CA GLY A 70 -19.392 -3.129 -1.554 1.00 2.82 C ATOM 1159 C GLY A 70 -19.057 -4.593 -1.347 1.00 3.16 C ATOM 1160 O GLY A 70 -17.892 -4.985 -1.423 1.00 3.92 O ATOM 0 H GLY A 70 -18.520 -1.723 -0.266 1.00 1.95 H new ATOM 0 HA2 GLY A 70 -20.398 -3.042 -1.963 1.00 2.82 H new ATOM 0 HA3 GLY A 70 -18.711 -2.702 -2.290 1.00 2.82 H new ATOM 1164 N SER A 71 -20.079 -5.403 -1.085 1.00 3.00 N ATOM 1165 CA SER A 71 -19.879 -6.829 -0.855 1.00 3.71 C ATOM 1166 C SER A 71 -21.167 -7.614 -1.075 1.00 4.37 C ATOM 1167 O SER A 71 -22.140 -7.094 -1.623 1.00 4.59 O ATOM 1168 CB SER A 71 -19.374 -7.058 0.569 1.00 3.83 C ATOM 1169 OG SER A 71 -20.312 -6.594 1.524 1.00 4.57 O ATOM 0 H SER A 71 -21.050 -5.097 -1.027 1.00 3.00 H new ATOM 0 HA SER A 71 -19.138 -7.185 -1.571 1.00 3.71 H new ATOM 0 HB2 SER A 71 -19.187 -8.120 0.725 1.00 3.83 H new ATOM 0 HB3 SER A 71 -18.424 -6.543 0.708 1.00 3.83 H new ATOM 0 HG SER A 71 -19.966 -6.754 2.427 1.00 4.57 H new ATOM 1175 N ASP A 72 -21.163 -8.874 -0.644 1.00 5.01 N ATOM 1176 CA ASP A 72 -22.328 -9.738 -0.788 1.00 5.78 C ATOM 1177 C ASP A 72 -23.508 -9.198 0.023 1.00 5.88 C ATOM 1178 O ASP A 72 -23.329 -8.724 1.144 1.00 5.59 O ATOM 1179 CB ASP A 72 -21.992 -11.159 -0.334 1.00 6.38 C ATOM 1180 CG ASP A 72 -20.831 -11.757 -1.106 1.00 7.10 C ATOM 1181 OD1 ASP A 72 -19.671 -11.554 -0.690 1.00 7.37 O ATOM 1182 OD2 ASP A 72 -21.083 -12.426 -2.132 1.00 7.61 O ATOM 0 H ASP A 72 -20.364 -9.318 -0.192 1.00 5.01 H new ATOM 0 HA ASP A 72 -22.610 -9.757 -1.841 1.00 5.78 H new ATOM 0 HB2 ASP A 72 -21.751 -11.150 0.729 1.00 6.38 H new ATOM 0 HB3 ASP A 72 -22.870 -11.793 -0.456 1.00 6.38 H new ATOM 1187 N PRO A 73 -24.731 -9.261 -0.536 1.00 6.61 N ATOM 1188 CA PRO A 73 -25.937 -8.774 0.141 1.00 7.07 C ATOM 1189 C PRO A 73 -26.157 -9.414 1.510 1.00 7.19 C ATOM 1190 O PRO A 73 -26.598 -8.753 2.451 1.00 7.25 O ATOM 1191 CB PRO A 73 -27.071 -9.177 -0.803 1.00 8.09 C ATOM 1192 CG PRO A 73 -26.440 -9.367 -2.134 1.00 8.09 C ATOM 1193 CD PRO A 73 -25.029 -9.795 -1.878 1.00 7.31 C ATOM 0 HA PRO A 73 -25.871 -7.703 0.334 1.00 7.07 H new ATOM 0 HB2 PRO A 73 -27.554 -10.094 -0.465 1.00 8.09 H new ATOM 0 HB3 PRO A 73 -27.841 -8.406 -0.841 1.00 8.09 H new ATOM 0 HG2 PRO A 73 -26.975 -10.120 -2.713 1.00 8.09 H new ATOM 0 HG3 PRO A 73 -26.466 -8.443 -2.711 1.00 8.09 H new ATOM 0 HD2 PRO A 73 -24.930 -10.880 -1.907 1.00 7.31 H new ATOM 0 HD3 PRO A 73 -24.348 -9.393 -2.628 1.00 7.31 H new ATOM 1201 N ALA A 74 -25.858 -10.703 1.613 1.00 7.47 N ATOM 1202 CA ALA A 74 -26.043 -11.432 2.867 1.00 7.78 C ATOM 1203 C ALA A 74 -24.874 -11.233 3.826 1.00 7.32 C ATOM 1204 O ALA A 74 -24.787 -11.899 4.859 1.00 7.73 O ATOM 1205 CB ALA A 74 -26.261 -12.913 2.593 1.00 8.60 C ATOM 0 H ALA A 74 -25.487 -11.266 0.847 1.00 7.47 H new ATOM 0 HA ALA A 74 -26.931 -11.025 3.351 1.00 7.78 H new ATOM 0 HB1 ALA A 74 -26.397 -13.441 3.537 1.00 8.60 H new ATOM 0 HB2 ALA A 74 -27.149 -13.042 1.974 1.00 8.60 H new ATOM 0 HB3 ALA A 74 -25.394 -13.318 2.072 1.00 8.60 H new ATOM 1211 N TYR A 75 -23.981 -10.319 3.482 1.00 6.63 N ATOM 1212 CA TYR A 75 -22.831 -10.023 4.327 1.00 6.35 C ATOM 1213 C TYR A 75 -23.062 -8.710 5.055 1.00 7.04 C ATOM 1214 O TYR A 75 -22.145 -7.914 5.258 1.00 7.28 O ATOM 1215 CB TYR A 75 -21.561 -9.948 3.499 1.00 5.72 C ATOM 1216 CG TYR A 75 -20.350 -10.530 4.196 1.00 5.15 C ATOM 1217 CD1 TYR A 75 -20.038 -11.878 4.074 1.00 4.95 C ATOM 1218 CD2 TYR A 75 -19.522 -9.733 4.979 1.00 5.10 C ATOM 1219 CE1 TYR A 75 -18.935 -12.416 4.709 1.00 4.72 C ATOM 1220 CE2 TYR A 75 -18.417 -10.266 5.619 1.00 4.93 C ATOM 1221 CZ TYR A 75 -18.129 -11.606 5.480 1.00 4.73 C ATOM 1222 OH TYR A 75 -17.031 -12.140 6.114 1.00 4.88 O ATOM 0 H TYR A 75 -24.029 -9.769 2.625 1.00 6.63 H new ATOM 0 HA TYR A 75 -22.713 -10.825 5.056 1.00 6.35 H new ATOM 0 HB2 TYR A 75 -21.718 -10.477 2.559 1.00 5.72 H new ATOM 0 HB3 TYR A 75 -21.361 -8.906 3.249 1.00 5.72 H new ATOM 0 HD1 TYR A 75 -20.668 -12.516 3.473 1.00 4.95 H new ATOM 0 HD2 TYR A 75 -19.745 -8.682 5.089 1.00 5.10 H new ATOM 0 HE1 TYR A 75 -18.706 -13.466 4.602 1.00 4.72 H new ATOM 0 HE2 TYR A 75 -17.784 -9.635 6.224 1.00 4.93 H new ATOM 0 HH TYR A 75 -16.685 -12.893 5.590 1.00 4.88 H new ATOM 1232 N GLN A 76 -24.309 -8.511 5.446 1.00 7.67 N ATOM 1233 CA GLN A 76 -24.728 -7.304 6.148 1.00 8.60 C ATOM 1234 C GLN A 76 -23.892 -7.063 7.398 1.00 9.08 C ATOM 1235 O GLN A 76 -23.111 -7.918 7.817 1.00 9.13 O ATOM 1236 CB GLN A 76 -26.203 -7.410 6.532 1.00 9.29 C ATOM 1237 CG GLN A 76 -27.090 -7.865 5.387 1.00 9.27 C ATOM 1238 CD GLN A 76 -28.564 -7.830 5.737 1.00 8.95 C ATOM 1239 OE1 GLN A 76 -29.389 -7.518 4.747 1.00 9.40 O flip ATOM 1240 NE2 GLN A 76 -28.953 -8.070 6.880 1.00 8.36 N flip ATOM 0 H GLN A 76 -25.062 -9.180 5.287 1.00 7.67 H new ATOM 0 HA GLN A 76 -24.581 -6.460 5.474 1.00 8.60 H new ATOM 0 HB2 GLN A 76 -26.306 -8.109 7.362 1.00 9.29 H new ATOM 0 HB3 GLN A 76 -26.549 -6.440 6.887 1.00 9.29 H new ATOM 0 HG2 GLN A 76 -26.912 -7.229 4.520 1.00 9.27 H new ATOM 0 HG3 GLN A 76 -26.813 -8.879 5.100 1.00 9.27 H new ATOM 0 HE21 GLN A 76 -28.280 -8.306 7.609 1.00 8.36 H new ATOM 0 HE22 GLN A 76 -29.949 -8.033 7.098 1.00 8.36 H new ATOM 1249 N LYS A 77 -24.074 -5.889 7.989 1.00 9.65 N ATOM 1250 CA LYS A 77 -23.344 -5.511 9.191 1.00 10.37 C ATOM 1251 C LYS A 77 -24.306 -5.176 10.326 1.00 11.36 C ATOM 1252 O LYS A 77 -25.427 -4.720 10.091 1.00 11.83 O ATOM 1253 CB LYS A 77 -22.423 -4.319 8.908 1.00 10.62 C ATOM 1254 CG LYS A 77 -23.055 -3.237 8.041 1.00 10.50 C ATOM 1255 CD LYS A 77 -22.945 -3.568 6.560 1.00 10.25 C ATOM 1256 CE LYS A 77 -23.537 -2.464 5.696 1.00 11.05 C ATOM 1257 NZ LYS A 77 -22.768 -1.194 5.813 1.00 11.38 N ATOM 0 H LYS A 77 -24.725 -5.179 7.653 1.00 9.65 H new ATOM 0 HA LYS A 77 -22.733 -6.360 9.497 1.00 10.37 H new ATOM 0 HB2 LYS A 77 -22.117 -3.877 9.856 1.00 10.62 H new ATOM 0 HB3 LYS A 77 -21.519 -4.680 8.418 1.00 10.62 H new ATOM 0 HG2 LYS A 77 -24.105 -3.121 8.311 1.00 10.50 H new ATOM 0 HG3 LYS A 77 -22.568 -2.282 8.238 1.00 10.50 H new ATOM 0 HD2 LYS A 77 -21.898 -3.716 6.296 1.00 10.25 H new ATOM 0 HD3 LYS A 77 -23.461 -4.507 6.357 1.00 10.25 H new ATOM 0 HE2 LYS A 77 -23.550 -2.786 4.655 1.00 11.05 H new ATOM 0 HE3 LYS A 77 -24.572 -2.290 5.989 1.00 11.05 H new ATOM 0 HZ1 LYS A 77 -23.071 -0.535 5.068 1.00 11.38 H new ATOM 0 HZ2 LYS A 77 -22.943 -0.767 6.745 1.00 11.38 H new ATOM 0 HZ3 LYS A 77 -21.752 -1.392 5.708 1.00 11.38 H new ATOM 1271 N ASP A 78 -23.863 -5.403 11.558 1.00 11.82 N ATOM 1272 CA ASP A 78 -24.686 -5.133 12.732 1.00 12.87 C ATOM 1273 C ASP A 78 -24.666 -3.648 13.083 1.00 13.60 C ATOM 1274 O ASP A 78 -25.183 -3.241 14.124 1.00 14.45 O ATOM 1275 CB ASP A 78 -24.196 -5.960 13.921 1.00 13.19 C ATOM 1276 CG ASP A 78 -25.193 -5.983 15.064 1.00 13.58 C ATOM 1277 OD1 ASP A 78 -26.127 -6.811 15.022 1.00 14.04 O ATOM 1278 OD2 ASP A 78 -25.041 -5.169 15.999 1.00 13.56 O ATOM 0 H ASP A 78 -22.937 -5.774 11.770 1.00 11.82 H new ATOM 0 HA ASP A 78 -25.713 -5.416 12.500 1.00 12.87 H new ATOM 0 HB2 ASP A 78 -24.001 -6.981 13.593 1.00 13.19 H new ATOM 0 HB3 ASP A 78 -23.250 -5.553 14.277 1.00 13.19 H new ATOM 1283 N ASP A 79 -24.072 -2.842 12.208 1.00 13.41 N ATOM 1284 CA ASP A 79 -23.990 -1.403 12.431 1.00 14.23 C ATOM 1285 C ASP A 79 -25.373 -0.764 12.377 1.00 14.38 C ATOM 1286 O ASP A 79 -25.902 -0.327 13.400 1.00 14.89 O ATOM 1287 CB ASP A 79 -23.073 -0.752 11.392 1.00 14.73 C ATOM 1288 CG ASP A 79 -21.624 -1.163 11.565 1.00 14.62 C ATOM 1289 OD1 ASP A 79 -20.898 -0.480 12.317 1.00 14.45 O ATOM 1290 OD2 ASP A 79 -21.214 -2.169 10.948 1.00 14.81 O ATOM 0 H ASP A 79 -23.641 -3.160 11.340 1.00 13.41 H new ATOM 0 HA ASP A 79 -23.572 -1.240 13.424 1.00 14.23 H new ATOM 0 HB2 ASP A 79 -23.409 -1.026 10.392 1.00 14.73 H new ATOM 0 HB3 ASP A 79 -23.152 0.332 11.469 1.00 14.73 H new ATOM 1295 N ALA A 80 -25.957 -0.717 11.181 1.00 14.03 N ATOM 1296 CA ALA A 80 -27.280 -0.128 10.998 1.00 14.24 C ATOM 1297 C ALA A 80 -27.796 -0.357 9.582 1.00 13.87 C ATOM 1298 O ALA A 80 -28.997 -0.265 9.326 1.00 14.29 O ATOM 1299 CB ALA A 80 -27.245 1.361 11.308 1.00 15.18 C ATOM 0 H ALA A 80 -25.535 -1.079 10.326 1.00 14.03 H new ATOM 0 HA ALA A 80 -27.963 -0.619 11.691 1.00 14.24 H new ATOM 0 HB1 ALA A 80 -28.239 1.785 11.167 1.00 15.18 H new ATOM 0 HB2 ALA A 80 -26.930 1.510 12.341 1.00 15.18 H new ATOM 0 HB3 ALA A 80 -26.541 1.856 10.639 1.00 15.18 H new ATOM 1305 N VAL A 81 -26.882 -0.656 8.665 1.00 13.21 N ATOM 1306 CA VAL A 81 -27.245 -0.893 7.274 1.00 12.98 C ATOM 1307 C VAL A 81 -27.296 -2.386 6.962 1.00 12.05 C ATOM 1308 O VAL A 81 -26.459 -3.158 7.431 1.00 11.62 O ATOM 1309 CB VAL A 81 -26.258 -0.204 6.312 1.00 13.48 C ATOM 1310 CG1 VAL A 81 -26.675 -0.415 4.865 1.00 13.42 C ATOM 1311 CG2 VAL A 81 -26.153 1.282 6.631 1.00 14.25 C ATOM 0 H VAL A 81 -25.884 -0.740 8.861 1.00 13.21 H new ATOM 0 HA VAL A 81 -28.237 -0.466 7.128 1.00 12.98 H new ATOM 0 HB VAL A 81 -25.276 -0.656 6.449 1.00 13.48 H new ATOM 0 HG11 VAL A 81 -25.963 0.081 4.205 1.00 13.42 H new ATOM 0 HG12 VAL A 81 -26.693 -1.482 4.643 1.00 13.42 H new ATOM 0 HG13 VAL A 81 -27.668 0.005 4.708 1.00 13.42 H new ATOM 0 HG21 VAL A 81 -25.452 1.753 5.942 1.00 14.25 H new ATOM 0 HG22 VAL A 81 -27.133 1.747 6.526 1.00 14.25 H new ATOM 0 HG23 VAL A 81 -25.799 1.410 7.654 1.00 14.25 H new ATOM 1321 N LYS A 82 -28.286 -2.782 6.168 1.00 11.88 N ATOM 1322 CA LYS A 82 -28.458 -4.179 5.785 1.00 11.20 C ATOM 1323 C LYS A 82 -27.983 -4.408 4.353 1.00 11.01 C ATOM 1324 O LYS A 82 -28.691 -4.083 3.400 1.00 11.55 O ATOM 1325 CB LYS A 82 -29.928 -4.582 5.916 1.00 11.48 C ATOM 1326 CG LYS A 82 -30.504 -4.345 7.301 1.00 11.95 C ATOM 1327 CD LYS A 82 -32.026 -4.368 7.292 1.00 12.52 C ATOM 1328 CE LYS A 82 -32.573 -5.782 7.148 1.00 12.60 C ATOM 1329 NZ LYS A 82 -32.402 -6.316 5.768 1.00 12.77 N ATOM 0 H LYS A 82 -28.985 -2.151 5.776 1.00 11.88 H new ATOM 0 HA LYS A 82 -27.856 -4.795 6.453 1.00 11.20 H new ATOM 0 HB2 LYS A 82 -30.515 -4.023 5.187 1.00 11.48 H new ATOM 0 HB3 LYS A 82 -30.030 -5.638 5.665 1.00 11.48 H new ATOM 0 HG2 LYS A 82 -30.133 -5.109 7.984 1.00 11.95 H new ATOM 0 HG3 LYS A 82 -30.157 -3.383 7.679 1.00 11.95 H new ATOM 0 HD2 LYS A 82 -32.401 -3.926 8.215 1.00 12.52 H new ATOM 0 HD3 LYS A 82 -32.393 -3.752 6.472 1.00 12.52 H new ATOM 0 HE2 LYS A 82 -32.066 -6.439 7.855 1.00 12.60 H new ATOM 0 HE3 LYS A 82 -33.631 -5.788 7.409 1.00 12.60 H new ATOM 0 HZ1 LYS A 82 -33.259 -6.835 5.488 1.00 12.77 H new ATOM 0 HZ2 LYS A 82 -32.244 -5.528 5.108 1.00 12.77 H new ATOM 0 HZ3 LYS A 82 -31.584 -6.958 5.743 1.00 12.77 H new ATOM 1343 N LYS A 83 -26.787 -4.978 4.211 1.00 10.44 N ATOM 1344 CA LYS A 83 -26.206 -5.244 2.895 1.00 10.47 C ATOM 1345 C LYS A 83 -24.811 -5.848 3.033 1.00 10.46 C ATOM 1346 O LYS A 83 -23.841 -5.073 3.171 1.00 10.61 O ATOM 1347 CB LYS A 83 -26.132 -3.958 2.068 1.00 10.70 C ATOM 1348 CG LYS A 83 -25.594 -4.167 0.659 1.00 10.51 C ATOM 1349 CD LYS A 83 -25.637 -2.883 -0.156 1.00 11.29 C ATOM 1350 CE LYS A 83 -24.686 -1.834 0.399 1.00 11.14 C ATOM 1351 NZ LYS A 83 -24.711 -0.581 -0.405 1.00 11.08 N ATOM 1352 OXT LYS A 83 -24.698 -7.091 3.002 1.00 10.53 O ATOM 0 H LYS A 83 -26.200 -5.265 4.994 1.00 10.44 H new ATOM 0 HA LYS A 83 -26.850 -5.958 2.382 1.00 10.47 H new ATOM 0 HB2 LYS A 83 -27.128 -3.519 2.006 1.00 10.70 H new ATOM 0 HB3 LYS A 83 -25.498 -3.239 2.587 1.00 10.70 H new ATOM 0 HG2 LYS A 83 -24.568 -4.530 0.712 1.00 10.51 H new ATOM 0 HG3 LYS A 83 -26.179 -4.937 0.156 1.00 10.51 H new ATOM 0 HD2 LYS A 83 -25.375 -3.100 -1.192 1.00 11.29 H new ATOM 0 HD3 LYS A 83 -26.653 -2.488 -0.160 1.00 11.29 H new ATOM 0 HE2 LYS A 83 -24.956 -1.609 1.431 1.00 11.14 H new ATOM 0 HE3 LYS A 83 -23.673 -2.235 0.415 1.00 11.14 H new ATOM 0 HZ1 LYS A 83 -24.050 0.108 0.006 1.00 11.08 H new ATOM 0 HZ2 LYS A 83 -24.429 -0.791 -1.384 1.00 11.08 H new ATOM 0 HZ3 LYS A 83 -25.672 -0.184 -0.399 1.00 11.08 H new TER 1366 LYS A 83