USER MOD reduce.3.24.130724 H: found=0, std=0, add=871, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 869 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 58 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 113 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.0298) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -42:sc= 0.947 USER MOD Single : A 16 ASN : amide:sc= -0.282 K(o=-0.28,f=-3.3!) USER MOD Single : A 24 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.27) USER MOD Single : A 25 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.0296) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot -112:sc= -1.42! USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=-0.00068) USER MOD Single : A 40 LYS NZ :NH3+ 147:sc= 1.11 (180deg=-0.175) USER MOD Single : A 46 TYR OH : rot 125:sc= -5.83! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 77 TYR OH : rot 129:sc= 0.324 USER MOD Single : A 82 TYR OH : rot 169:sc= -1.44! USER MOD Single : A 84 THR OG1 : rot -55:sc= 0.574 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= 0.378 K(o=0.38,f=-0.33) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.869 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= -4.96 USER MOD Single : A 100 THR OG1 : rot -70:sc= 0.394 USER MOD Single : A 110 ASN : amide:sc= 0.101 X(o=0.1,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 4 -6.020 3.887 12.942 1.00 1.37 N ATOM 40 CA GLU A 4 -4.968 3.903 11.885 1.00 1.14 C ATOM 41 C GLU A 4 -3.776 3.028 12.293 1.00 0.89 C ATOM 42 O GLU A 4 -3.640 2.643 13.437 1.00 1.30 O ATOM 43 CB GLU A 4 -4.548 5.372 11.765 1.00 1.67 C ATOM 44 CG GLU A 4 -3.876 5.827 13.063 1.00 2.39 C ATOM 45 CD GLU A 4 -3.823 4.657 14.048 1.00 2.65 C ATOM 46 OE1 GLU A 4 -2.884 3.883 13.965 1.00 3.09 O ATOM 47 OE2 GLU A 4 -4.722 4.555 14.865 1.00 3.05 O ATOM 0 HA GLU A 4 -5.333 3.505 10.938 1.00 1.14 H new ATOM 0 HB2 GLU A 4 -3.862 5.496 10.927 1.00 1.67 H new ATOM 0 HB3 GLU A 4 -5.420 5.993 11.559 1.00 1.67 H new ATOM 0 HG2 GLU A 4 -2.869 6.188 12.856 1.00 2.39 H new ATOM 0 HG3 GLU A 4 -4.429 6.659 13.499 1.00 2.39 H new ATOM 54 N GLU A 5 -2.913 2.727 11.358 1.00 1.00 N ATOM 55 CA GLU A 5 -1.711 1.884 11.651 1.00 0.81 C ATOM 56 C GLU A 5 -2.116 0.507 12.196 1.00 0.87 C ATOM 57 O GLU A 5 -2.876 0.394 13.135 1.00 1.15 O ATOM 58 CB GLU A 5 -0.908 2.660 12.696 1.00 0.95 C ATOM 59 CG GLU A 5 0.154 3.508 11.992 1.00 1.46 C ATOM 60 CD GLU A 5 0.821 4.438 13.009 1.00 1.82 C ATOM 61 OE1 GLU A 5 1.232 3.950 14.048 1.00 2.50 O ATOM 62 OE2 GLU A 5 0.909 5.622 12.730 1.00 2.19 O ATOM 0 H GLU A 5 -2.990 3.034 10.388 1.00 1.00 H new ATOM 0 HA GLU A 5 -1.130 1.698 10.748 1.00 0.81 H new ATOM 0 HB2 GLU A 5 -1.571 3.298 13.280 1.00 0.95 H new ATOM 0 HB3 GLU A 5 -0.434 1.969 13.394 1.00 0.95 H new ATOM 0 HG2 GLU A 5 0.901 2.863 11.528 1.00 1.46 H new ATOM 0 HG3 GLU A 5 -0.303 4.093 11.193 1.00 1.46 H new ATOM 69 N GLU A 6 -1.608 -0.544 11.610 1.00 0.79 N ATOM 70 CA GLU A 6 -1.962 -1.906 12.090 1.00 1.04 C ATOM 71 C GLU A 6 -0.792 -2.879 11.885 1.00 1.10 C ATOM 72 O GLU A 6 -0.260 -3.007 10.800 1.00 1.76 O ATOM 73 CB GLU A 6 -3.149 -2.310 11.226 1.00 1.28 C ATOM 74 CG GLU A 6 -4.445 -1.953 11.951 1.00 1.68 C ATOM 75 CD GLU A 6 -5.643 -2.366 11.094 1.00 1.97 C ATOM 76 OE1 GLU A 6 -5.789 -3.551 10.847 1.00 2.24 O ATOM 77 OE2 GLU A 6 -6.394 -1.489 10.700 1.00 2.63 O ATOM 0 H GLU A 6 -0.963 -0.516 10.820 1.00 0.79 H new ATOM 0 HA GLU A 6 -2.192 -1.924 13.155 1.00 1.04 H new ATOM 0 HB2 GLU A 6 -3.104 -1.799 10.264 1.00 1.28 H new ATOM 0 HB3 GLU A 6 -3.117 -3.380 11.020 1.00 1.28 H new ATOM 0 HG2 GLU A 6 -4.484 -2.458 12.916 1.00 1.68 H new ATOM 0 HG3 GLU A 6 -4.479 -0.882 12.150 1.00 1.68 H new ATOM 84 N ASP A 7 -0.398 -3.574 12.918 1.00 1.27 N ATOM 85 CA ASP A 7 0.727 -4.553 12.793 1.00 1.35 C ATOM 86 C ASP A 7 1.930 -3.926 12.078 1.00 1.28 C ATOM 87 O ASP A 7 2.337 -4.372 11.024 1.00 2.01 O ATOM 88 CB ASP A 7 0.157 -5.706 11.965 1.00 1.53 C ATOM 89 CG ASP A 7 1.040 -5.940 10.739 1.00 1.92 C ATOM 90 OD1 ASP A 7 1.762 -5.028 10.370 1.00 2.57 O ATOM 91 OD2 ASP A 7 0.980 -7.027 10.188 1.00 2.36 O ATOM 0 H ASP A 7 -0.808 -3.507 13.850 1.00 1.27 H new ATOM 0 HA ASP A 7 1.086 -4.880 13.769 1.00 1.35 H new ATOM 0 HB2 ASP A 7 0.108 -6.612 12.569 1.00 1.53 H new ATOM 0 HB3 ASP A 7 -0.862 -5.475 11.654 1.00 1.53 H new ATOM 96 N HIS A 8 2.509 -2.904 12.648 1.00 1.21 N ATOM 97 CA HIS A 8 3.695 -2.256 12.007 1.00 1.11 C ATOM 98 C HIS A 8 3.369 -1.816 10.575 1.00 0.81 C ATOM 99 O HIS A 8 4.253 -1.583 9.773 1.00 0.87 O ATOM 100 CB HIS A 8 4.782 -3.331 11.998 1.00 1.32 C ATOM 101 CG HIS A 8 5.880 -2.944 12.951 1.00 1.61 C ATOM 102 ND1 HIS A 8 5.845 -3.283 14.294 1.00 2.30 N ATOM 103 CD2 HIS A 8 7.048 -2.245 12.771 1.00 2.02 C ATOM 104 CE1 HIS A 8 6.960 -2.791 14.866 1.00 2.53 C ATOM 105 NE2 HIS A 8 7.728 -2.150 13.981 1.00 2.33 N ATOM 0 H HIS A 8 2.213 -2.488 13.531 1.00 1.21 H new ATOM 0 HA HIS A 8 4.005 -1.361 12.546 1.00 1.11 H new ATOM 0 HB2 HIS A 8 4.359 -4.293 12.286 1.00 1.32 H new ATOM 0 HB3 HIS A 8 5.184 -3.448 10.992 1.00 1.32 H new ATOM 0 HD2 HIS A 8 7.387 -1.832 11.833 1.00 2.02 H new ATOM 0 HE1 HIS A 8 7.204 -2.901 15.912 1.00 2.53 H new ATOM 0 HE2 HIS A 8 8.621 -1.690 14.155 1.00 2.33 H new ATOM 113 N VAL A 9 2.114 -1.691 10.246 1.00 0.69 N ATOM 114 CA VAL A 9 1.741 -1.256 8.870 1.00 0.49 C ATOM 115 C VAL A 9 0.708 -0.134 8.957 1.00 0.41 C ATOM 116 O VAL A 9 0.216 0.179 10.023 1.00 0.54 O ATOM 117 CB VAL A 9 1.141 -2.494 8.199 1.00 0.68 C ATOM 118 CG1 VAL A 9 0.852 -2.184 6.731 1.00 0.88 C ATOM 119 CG2 VAL A 9 2.130 -3.658 8.285 1.00 0.89 C ATOM 0 H VAL A 9 1.329 -1.871 10.871 1.00 0.69 H new ATOM 0 HA VAL A 9 2.592 -0.875 8.306 1.00 0.49 H new ATOM 0 HB VAL A 9 0.216 -2.767 8.707 1.00 0.68 H new ATOM 0 HG11 VAL A 9 0.425 -3.064 6.251 1.00 0.88 H new ATOM 0 HG12 VAL A 9 0.146 -1.356 6.666 1.00 0.88 H new ATOM 0 HG13 VAL A 9 1.779 -1.910 6.228 1.00 0.88 H new ATOM 0 HG21 VAL A 9 1.699 -4.537 7.806 1.00 0.89 H new ATOM 0 HG22 VAL A 9 3.056 -3.386 7.779 1.00 0.89 H new ATOM 0 HG23 VAL A 9 2.340 -3.881 9.331 1.00 0.89 H new ATOM 129 N LEU A 10 0.377 0.483 7.857 1.00 0.41 N ATOM 130 CA LEU A 10 -0.622 1.586 7.914 1.00 0.54 C ATOM 131 C LEU A 10 -1.985 1.127 7.413 1.00 0.42 C ATOM 132 O LEU A 10 -2.189 -0.009 7.029 1.00 0.59 O ATOM 133 CB LEU A 10 -0.087 2.684 7.001 1.00 0.83 C ATOM 134 CG LEU A 10 0.321 3.899 7.836 1.00 0.96 C ATOM 135 CD1 LEU A 10 1.788 4.236 7.563 1.00 1.49 C ATOM 136 CD2 LEU A 10 -0.557 5.092 7.455 1.00 1.30 C ATOM 0 H LEU A 10 0.750 0.275 6.931 1.00 0.41 H new ATOM 0 HA LEU A 10 -0.757 1.928 8.940 1.00 0.54 H new ATOM 0 HB2 LEU A 10 0.769 2.315 6.436 1.00 0.83 H new ATOM 0 HB3 LEU A 10 -0.848 2.969 6.275 1.00 0.83 H new ATOM 0 HG LEU A 10 0.192 3.675 8.895 1.00 0.96 H new ATOM 0 HD11 LEU A 10 2.079 5.102 8.158 1.00 1.49 H new ATOM 0 HD12 LEU A 10 2.413 3.384 7.832 1.00 1.49 H new ATOM 0 HD13 LEU A 10 1.918 4.462 6.505 1.00 1.49 H new ATOM 0 HD21 LEU A 10 -0.269 5.960 8.048 1.00 1.30 H new ATOM 0 HD22 LEU A 10 -0.426 5.317 6.396 1.00 1.30 H new ATOM 0 HD23 LEU A 10 -1.602 4.851 7.648 1.00 1.30 H new ATOM 148 N VAL A 11 -2.908 2.032 7.410 1.00 0.54 N ATOM 149 CA VAL A 11 -4.288 1.727 6.933 1.00 0.46 C ATOM 150 C VAL A 11 -5.048 3.033 6.706 1.00 0.43 C ATOM 151 O VAL A 11 -4.983 3.944 7.507 1.00 0.54 O ATOM 152 CB VAL A 11 -4.932 0.908 8.055 1.00 0.61 C ATOM 153 CG1 VAL A 11 -4.983 1.741 9.337 1.00 1.39 C ATOM 154 CG2 VAL A 11 -6.354 0.517 7.646 1.00 1.04 C ATOM 0 H VAL A 11 -2.769 2.993 7.723 1.00 0.54 H new ATOM 0 HA VAL A 11 -4.295 1.180 5.990 1.00 0.46 H new ATOM 0 HB VAL A 11 -4.341 0.009 8.232 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -5.442 1.155 10.133 1.00 1.39 H new ATOM 0 HG12 VAL A 11 -3.971 2.021 9.629 1.00 1.39 H new ATOM 0 HG13 VAL A 11 -5.573 2.641 9.163 1.00 1.39 H new ATOM 0 HG21 VAL A 11 -6.815 -0.066 8.443 1.00 1.04 H new ATOM 0 HG22 VAL A 11 -6.942 1.417 7.469 1.00 1.04 H new ATOM 0 HG23 VAL A 11 -6.319 -0.079 6.734 1.00 1.04 H new ATOM 164 N LEU A 12 -5.761 3.144 5.620 1.00 0.40 N ATOM 165 CA LEU A 12 -6.506 4.408 5.360 1.00 0.45 C ATOM 166 C LEU A 12 -8.015 4.164 5.390 1.00 0.44 C ATOM 167 O LEU A 12 -8.477 3.046 5.500 1.00 0.58 O ATOM 168 CB LEU A 12 -6.069 4.872 3.962 1.00 0.63 C ATOM 169 CG LEU A 12 -4.568 5.223 3.933 1.00 0.76 C ATOM 170 CD1 LEU A 12 -4.171 6.043 5.168 1.00 0.82 C ATOM 171 CD2 LEU A 12 -3.744 3.938 3.895 1.00 1.16 C ATOM 0 H LEU A 12 -5.860 2.422 4.907 1.00 0.40 H new ATOM 0 HA LEU A 12 -6.291 5.158 6.121 1.00 0.45 H new ATOM 0 HB2 LEU A 12 -6.275 4.087 3.235 1.00 0.63 H new ATOM 0 HB3 LEU A 12 -6.654 5.743 3.666 1.00 0.63 H new ATOM 0 HG LEU A 12 -4.373 5.820 3.042 1.00 0.76 H new ATOM 0 HD11 LEU A 12 -3.107 6.277 5.123 1.00 0.82 H new ATOM 0 HD12 LEU A 12 -4.746 6.969 5.190 1.00 0.82 H new ATOM 0 HD13 LEU A 12 -4.377 5.466 6.070 1.00 0.82 H new ATOM 0 HD21 LEU A 12 -2.683 4.187 3.874 1.00 1.16 H new ATOM 0 HD22 LEU A 12 -3.960 3.341 4.781 1.00 1.16 H new ATOM 0 HD23 LEU A 12 -4.000 3.368 3.002 1.00 1.16 H new ATOM 183 N ARG A 13 -8.779 5.213 5.288 1.00 0.47 N ATOM 184 CA ARG A 13 -10.263 5.071 5.305 1.00 0.55 C ATOM 185 C ARG A 13 -10.896 6.089 4.352 1.00 0.54 C ATOM 186 O ARG A 13 -10.211 6.787 3.632 1.00 0.73 O ATOM 187 CB ARG A 13 -10.677 5.357 6.750 1.00 0.69 C ATOM 188 CG ARG A 13 -10.154 4.244 7.662 1.00 1.19 C ATOM 189 CD ARG A 13 -11.197 3.932 8.737 1.00 1.28 C ATOM 190 NE ARG A 13 -11.124 5.079 9.686 1.00 1.86 N ATOM 191 CZ ARG A 13 -11.875 5.090 10.753 1.00 2.30 C ATOM 192 NH1 ARG A 13 -11.509 4.425 11.815 1.00 2.84 N ATOM 193 NH2 ARG A 13 -12.992 5.766 10.759 1.00 2.68 N ATOM 0 H ARG A 13 -8.439 6.170 5.193 1.00 0.47 H new ATOM 0 HA ARG A 13 -10.588 4.082 4.981 1.00 0.55 H new ATOM 0 HB2 ARG A 13 -10.279 6.320 7.069 1.00 0.69 H new ATOM 0 HB3 ARG A 13 -11.763 5.421 6.822 1.00 0.69 H new ATOM 0 HG2 ARG A 13 -9.941 3.350 7.076 1.00 1.19 H new ATOM 0 HG3 ARG A 13 -9.217 4.551 8.127 1.00 1.19 H new ATOM 0 HD2 ARG A 13 -12.194 3.839 8.305 1.00 1.28 H new ATOM 0 HD3 ARG A 13 -10.978 2.989 9.239 1.00 1.28 H new ATOM 0 HE ARG A 13 -10.488 5.855 9.502 1.00 1.86 H new ATOM 0 HH11 ARG A 13 -10.636 3.897 11.811 1.00 2.84 H new ATOM 0 HH12 ARG A 13 -12.096 4.433 12.649 1.00 2.84 H new ATOM 0 HH21 ARG A 13 -13.278 6.286 9.929 1.00 2.68 H new ATOM 0 HH22 ARG A 13 -13.579 5.774 11.593 1.00 2.68 H new ATOM 207 N LYS A 14 -12.197 6.177 4.340 1.00 0.58 N ATOM 208 CA LYS A 14 -12.875 7.147 3.430 1.00 0.63 C ATOM 209 C LYS A 14 -12.387 8.575 3.699 1.00 0.65 C ATOM 210 O LYS A 14 -12.366 9.407 2.814 1.00 0.83 O ATOM 211 CB LYS A 14 -14.362 7.022 3.759 1.00 0.74 C ATOM 212 CG LYS A 14 -15.015 6.021 2.804 1.00 1.26 C ATOM 213 CD LYS A 14 -16.529 6.020 3.023 1.00 1.92 C ATOM 214 CE LYS A 14 -16.952 4.694 3.661 1.00 2.26 C ATOM 215 NZ LYS A 14 -18.380 4.884 4.034 1.00 2.80 N ATOM 0 H LYS A 14 -12.822 5.619 4.921 1.00 0.58 H new ATOM 0 HA LYS A 14 -12.665 6.937 2.381 1.00 0.63 H new ATOM 0 HB2 LYS A 14 -14.491 6.693 4.790 1.00 0.74 H new ATOM 0 HB3 LYS A 14 -14.847 7.994 3.671 1.00 0.74 H new ATOM 0 HG2 LYS A 14 -14.786 6.285 1.771 1.00 1.26 H new ATOM 0 HG3 LYS A 14 -14.611 5.023 2.975 1.00 1.26 H new ATOM 0 HD2 LYS A 14 -16.815 6.853 3.666 1.00 1.92 H new ATOM 0 HD3 LYS A 14 -17.045 6.159 2.073 1.00 1.92 H new ATOM 0 HE2 LYS A 14 -16.833 3.865 2.963 1.00 2.26 H new ATOM 0 HE3 LYS A 14 -16.343 4.465 4.535 1.00 2.26 H new ATOM 0 HZ1 LYS A 14 -18.741 4.016 4.478 1.00 2.80 H new ATOM 0 HZ2 LYS A 14 -18.461 5.675 4.704 1.00 2.80 H new ATOM 0 HZ3 LYS A 14 -18.937 5.094 3.181 1.00 2.80 H new ATOM 229 N SER A 15 -12.004 8.871 4.911 1.00 0.68 N ATOM 230 CA SER A 15 -11.532 10.253 5.226 1.00 0.88 C ATOM 231 C SER A 15 -10.042 10.256 5.589 1.00 0.81 C ATOM 232 O SER A 15 -9.523 11.229 6.099 1.00 1.05 O ATOM 233 CB SER A 15 -12.369 10.682 6.430 1.00 1.10 C ATOM 234 OG SER A 15 -11.973 11.982 6.843 1.00 1.68 O ATOM 0 H SER A 15 -11.997 8.219 5.696 1.00 0.68 H new ATOM 0 HA SER A 15 -11.645 10.925 4.375 1.00 0.88 H new ATOM 0 HB2 SER A 15 -13.428 10.678 6.170 1.00 1.10 H new ATOM 0 HB3 SER A 15 -12.239 9.973 7.248 1.00 1.10 H new ATOM 0 HG SER A 15 -10.996 12.053 6.809 1.00 1.68 H new ATOM 240 N ASN A 16 -9.351 9.180 5.335 1.00 0.65 N ATOM 241 CA ASN A 16 -7.897 9.132 5.670 1.00 0.68 C ATOM 242 C ASN A 16 -7.054 8.916 4.406 1.00 0.55 C ATOM 243 O ASN A 16 -5.842 8.911 4.456 1.00 0.56 O ATOM 244 CB ASN A 16 -7.757 7.931 6.603 1.00 0.87 C ATOM 245 CG ASN A 16 -7.427 8.395 8.020 1.00 0.91 C ATOM 246 OD1 ASN A 16 -7.178 9.560 8.255 1.00 1.74 O ATOM 247 ND2 ASN A 16 -7.416 7.516 8.983 1.00 0.98 N ATOM 0 H ASN A 16 -9.728 8.332 4.911 1.00 0.65 H new ATOM 0 HA ASN A 16 -7.551 10.061 6.124 1.00 0.68 H new ATOM 0 HB2 ASN A 16 -8.683 7.356 6.608 1.00 0.87 H new ATOM 0 HB3 ASN A 16 -6.972 7.268 6.238 1.00 0.87 H new ATOM 0 HD21 ASN A 16 -7.198 7.806 9.936 1.00 0.98 H new ATOM 0 HD22 ASN A 16 -7.626 6.538 8.783 1.00 0.98 H new ATOM 254 N PHE A 17 -7.681 8.726 3.275 1.00 0.55 N ATOM 255 CA PHE A 17 -6.903 8.501 2.025 1.00 0.51 C ATOM 256 C PHE A 17 -6.021 9.714 1.710 1.00 0.46 C ATOM 257 O PHE A 17 -4.810 9.641 1.766 1.00 0.52 O ATOM 258 CB PHE A 17 -7.957 8.301 0.939 1.00 0.56 C ATOM 259 CG PHE A 17 -7.290 7.802 -0.316 1.00 0.62 C ATOM 260 CD1 PHE A 17 -6.728 8.712 -1.217 1.00 0.79 C ATOM 261 CD2 PHE A 17 -7.233 6.429 -0.577 1.00 0.78 C ATOM 262 CE1 PHE A 17 -6.108 8.248 -2.382 1.00 0.90 C ATOM 263 CE2 PHE A 17 -6.613 5.964 -1.743 1.00 0.89 C ATOM 264 CZ PHE A 17 -6.050 6.874 -2.645 1.00 0.87 C ATOM 0 H PHE A 17 -8.695 8.717 3.164 1.00 0.55 H new ATOM 0 HA PHE A 17 -6.232 7.646 2.107 1.00 0.51 H new ATOM 0 HB2 PHE A 17 -8.709 7.587 1.273 1.00 0.56 H new ATOM 0 HB3 PHE A 17 -8.474 9.240 0.741 1.00 0.56 H new ATOM 0 HD1 PHE A 17 -6.773 9.772 -1.014 1.00 0.79 H new ATOM 0 HD2 PHE A 17 -7.667 5.728 0.121 1.00 0.78 H new ATOM 0 HE1 PHE A 17 -5.674 8.950 -3.079 1.00 0.90 H new ATOM 0 HE2 PHE A 17 -6.569 4.904 -1.946 1.00 0.89 H new ATOM 0 HZ PHE A 17 -5.571 6.516 -3.544 1.00 0.87 H new ATOM 274 N ALA A 18 -6.617 10.828 1.377 1.00 0.52 N ATOM 275 CA ALA A 18 -5.807 12.042 1.057 1.00 0.66 C ATOM 276 C ALA A 18 -4.799 12.313 2.175 1.00 0.59 C ATOM 277 O ALA A 18 -3.723 12.831 1.945 1.00 0.75 O ATOM 278 CB ALA A 18 -6.822 13.181 0.963 1.00 0.84 C ATOM 0 H ALA A 18 -7.628 10.951 1.313 1.00 0.52 H new ATOM 0 HA ALA A 18 -5.236 11.927 0.135 1.00 0.66 H new ATOM 0 HB1 ALA A 18 -6.304 14.111 0.730 1.00 0.84 H new ATOM 0 HB2 ALA A 18 -7.544 12.961 0.177 1.00 0.84 H new ATOM 0 HB3 ALA A 18 -7.342 13.284 1.915 1.00 0.84 H new ATOM 284 N GLU A 19 -5.137 11.960 3.383 1.00 0.46 N ATOM 285 CA GLU A 19 -4.203 12.185 4.518 1.00 0.49 C ATOM 286 C GLU A 19 -2.894 11.438 4.271 1.00 0.48 C ATOM 287 O GLU A 19 -1.826 12.011 4.283 1.00 0.56 O ATOM 288 CB GLU A 19 -4.926 11.609 5.732 1.00 0.55 C ATOM 289 CG GLU A 19 -4.156 11.966 7.005 1.00 0.69 C ATOM 290 CD GLU A 19 -5.047 12.805 7.924 1.00 1.04 C ATOM 291 OE1 GLU A 19 -6.005 12.260 8.445 1.00 1.66 O ATOM 292 OE2 GLU A 19 -4.755 13.977 8.090 1.00 1.78 O ATOM 0 H GLU A 19 -6.024 11.523 3.633 1.00 0.46 H new ATOM 0 HA GLU A 19 -3.950 13.237 4.652 1.00 0.49 H new ATOM 0 HB2 GLU A 19 -5.940 12.005 5.785 1.00 0.55 H new ATOM 0 HB3 GLU A 19 -5.011 10.526 5.638 1.00 0.55 H new ATOM 0 HG2 GLU A 19 -3.840 11.058 7.518 1.00 0.69 H new ATOM 0 HG3 GLU A 19 -3.252 12.520 6.752 1.00 0.69 H new ATOM 299 N ALA A 20 -2.972 10.155 4.047 1.00 0.45 N ATOM 300 CA ALA A 20 -1.735 9.362 3.798 1.00 0.53 C ATOM 301 C ALA A 20 -0.857 10.039 2.737 1.00 0.57 C ATOM 302 O ALA A 20 0.346 10.130 2.878 1.00 0.71 O ATOM 303 CB ALA A 20 -2.236 8.008 3.296 1.00 0.57 C ATOM 0 H ALA A 20 -3.841 9.621 4.026 1.00 0.45 H new ATOM 0 HA ALA A 20 -1.120 9.270 4.693 1.00 0.53 H new ATOM 0 HB1 ALA A 20 -1.385 7.360 3.088 1.00 0.57 H new ATOM 0 HB2 ALA A 20 -2.865 7.548 4.058 1.00 0.57 H new ATOM 0 HB3 ALA A 20 -2.816 8.150 2.384 1.00 0.57 H new ATOM 309 N LEU A 21 -1.449 10.507 1.678 1.00 0.55 N ATOM 310 CA LEU A 21 -0.648 11.167 0.604 1.00 0.69 C ATOM 311 C LEU A 21 -0.133 12.532 1.065 1.00 0.75 C ATOM 312 O LEU A 21 1.032 12.849 0.919 1.00 0.92 O ATOM 313 CB LEU A 21 -1.616 11.327 -0.567 1.00 0.74 C ATOM 314 CG LEU A 21 -1.683 10.015 -1.351 1.00 0.84 C ATOM 315 CD1 LEU A 21 -2.902 9.207 -0.904 1.00 0.90 C ATOM 316 CD2 LEU A 21 -1.797 10.321 -2.844 1.00 1.44 C ATOM 0 H LEU A 21 -2.453 10.463 1.506 1.00 0.55 H new ATOM 0 HA LEU A 21 0.231 10.581 0.336 1.00 0.69 H new ATOM 0 HB2 LEU A 21 -2.607 11.596 -0.201 1.00 0.74 H new ATOM 0 HB3 LEU A 21 -1.286 12.137 -1.218 1.00 0.74 H new ATOM 0 HG LEU A 21 -0.778 9.437 -1.163 1.00 0.84 H new ATOM 0 HD11 LEU A 21 -2.945 8.274 -1.465 1.00 0.90 H new ATOM 0 HD12 LEU A 21 -2.822 8.987 0.161 1.00 0.90 H new ATOM 0 HD13 LEU A 21 -3.808 9.784 -1.088 1.00 0.90 H new ATOM 0 HD21 LEU A 21 -1.845 9.387 -3.404 1.00 1.44 H new ATOM 0 HD22 LEU A 21 -2.701 10.902 -3.028 1.00 1.44 H new ATOM 0 HD23 LEU A 21 -0.927 10.893 -3.166 1.00 1.44 H new ATOM 328 N ALA A 22 -0.989 13.344 1.613 1.00 0.71 N ATOM 329 CA ALA A 22 -0.548 14.692 2.076 1.00 0.85 C ATOM 330 C ALA A 22 0.293 14.572 3.350 1.00 0.89 C ATOM 331 O ALA A 22 1.419 15.026 3.409 1.00 1.08 O ATOM 332 CB ALA A 22 -1.842 15.456 2.357 1.00 1.00 C ATOM 0 H ALA A 22 -1.976 13.135 1.762 1.00 0.71 H new ATOM 0 HA ALA A 22 0.073 15.197 1.337 1.00 0.85 H new ATOM 0 HB1 ALA A 22 -1.603 16.461 2.703 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -2.434 15.518 1.444 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -2.413 14.934 3.125 1.00 1.00 H new ATOM 338 N ALA A 23 -0.247 13.961 4.369 1.00 0.86 N ATOM 339 CA ALA A 23 0.510 13.807 5.647 1.00 0.93 C ATOM 340 C ALA A 23 1.924 13.276 5.378 1.00 0.85 C ATOM 341 O ALA A 23 2.907 13.897 5.733 1.00 0.95 O ATOM 342 CB ALA A 23 -0.299 12.795 6.461 1.00 1.05 C ATOM 0 H ALA A 23 -1.185 13.559 4.373 1.00 0.86 H new ATOM 0 HA ALA A 23 0.630 14.756 6.171 1.00 0.93 H new ATOM 0 HB1 ALA A 23 0.191 12.624 7.420 1.00 1.05 H new ATOM 0 HB2 ALA A 23 -1.303 13.184 6.631 1.00 1.05 H new ATOM 0 HB3 ALA A 23 -0.362 11.855 5.913 1.00 1.05 H new ATOM 348 N HIS A 24 2.036 12.136 4.753 1.00 0.83 N ATOM 349 CA HIS A 24 3.388 11.576 4.466 1.00 0.84 C ATOM 350 C HIS A 24 3.727 11.747 2.982 1.00 0.82 C ATOM 351 O HIS A 24 3.066 12.473 2.265 1.00 1.30 O ATOM 352 CB HIS A 24 3.288 10.094 4.826 1.00 0.95 C ATOM 353 CG HIS A 24 3.533 9.920 6.300 1.00 1.22 C ATOM 354 ND1 HIS A 24 4.644 10.456 6.934 1.00 1.80 N ATOM 355 CD2 HIS A 24 2.819 9.274 7.278 1.00 1.84 C ATOM 356 CE1 HIS A 24 4.567 10.125 8.235 1.00 2.04 C ATOM 357 NE2 HIS A 24 3.474 9.403 8.499 1.00 2.00 N ATOM 0 H HIS A 24 1.252 11.569 4.429 1.00 0.83 H new ATOM 0 HA HIS A 24 4.172 12.080 5.031 1.00 0.84 H new ATOM 0 HB2 HIS A 24 2.303 9.710 4.562 1.00 0.95 H new ATOM 0 HB3 HIS A 24 4.017 9.520 4.255 1.00 0.95 H new ATOM 0 HD2 HIS A 24 1.890 8.746 7.123 1.00 1.84 H new ATOM 0 HE1 HIS A 24 5.299 10.408 8.976 1.00 2.04 H new ATOM 0 HE2 HIS A 24 3.183 9.027 9.401 1.00 2.00 H new ATOM 365 N LYS A 25 4.753 11.087 2.515 1.00 0.72 N ATOM 366 CA LYS A 25 5.130 11.220 1.078 1.00 0.69 C ATOM 367 C LYS A 25 4.840 9.918 0.323 1.00 0.59 C ATOM 368 O LYS A 25 3.858 9.810 -0.384 1.00 0.68 O ATOM 369 CB LYS A 25 6.629 11.512 1.080 1.00 0.81 C ATOM 370 CG LYS A 25 6.854 13.026 1.029 1.00 1.20 C ATOM 371 CD LYS A 25 8.248 13.354 1.570 1.00 1.51 C ATOM 372 CE LYS A 25 9.307 12.876 0.574 1.00 2.06 C ATOM 373 NZ LYS A 25 9.435 13.984 -0.413 1.00 2.47 N ATOM 0 H LYS A 25 5.345 10.464 3.064 1.00 0.72 H new ATOM 0 HA LYS A 25 4.562 12.007 0.581 1.00 0.69 H new ATOM 0 HB2 LYS A 25 7.090 11.095 1.975 1.00 0.81 H new ATOM 0 HB3 LYS A 25 7.105 11.034 0.224 1.00 0.81 H new ATOM 0 HG2 LYS A 25 6.756 13.384 0.004 1.00 1.20 H new ATOM 0 HG3 LYS A 25 6.094 13.537 1.619 1.00 1.20 H new ATOM 0 HD2 LYS A 25 8.344 14.428 1.732 1.00 1.51 H new ATOM 0 HD3 LYS A 25 8.398 12.872 2.536 1.00 1.51 H new ATOM 0 HE2 LYS A 25 10.257 12.679 1.072 1.00 2.06 H new ATOM 0 HE3 LYS A 25 9.003 11.948 0.089 1.00 2.06 H new ATOM 0 HZ1 LYS A 25 9.636 13.589 -1.354 1.00 2.47 H new ATOM 0 HZ2 LYS A 25 8.546 14.523 -0.446 1.00 2.47 H new ATOM 0 HZ3 LYS A 25 10.212 14.614 -0.129 1.00 2.47 H new ATOM 387 N TYR A 26 5.683 8.930 0.458 1.00 0.52 N ATOM 388 CA TYR A 26 5.442 7.648 -0.263 1.00 0.48 C ATOM 389 C TYR A 26 4.530 6.737 0.562 1.00 0.46 C ATOM 390 O TYR A 26 4.957 6.118 1.516 1.00 0.53 O ATOM 391 CB TYR A 26 6.824 7.012 -0.422 1.00 0.56 C ATOM 392 CG TYR A 26 7.751 7.968 -1.136 1.00 0.65 C ATOM 393 CD1 TYR A 26 7.296 8.670 -2.258 1.00 0.75 C ATOM 394 CD2 TYR A 26 9.059 8.155 -0.675 1.00 1.08 C ATOM 395 CE1 TYR A 26 8.151 9.560 -2.921 1.00 0.87 C ATOM 396 CE2 TYR A 26 9.914 9.044 -1.336 1.00 1.31 C ATOM 397 CZ TYR A 26 9.476 9.734 -2.457 1.00 1.08 C ATOM 398 OH TYR A 26 10.302 10.624 -3.111 1.00 1.33 O ATOM 0 H TYR A 26 6.525 8.955 1.034 1.00 0.52 H new ATOM 0 HA TYR A 26 4.951 7.806 -1.224 1.00 0.48 H new ATOM 0 HB2 TYR A 26 7.232 6.759 0.556 1.00 0.56 H new ATOM 0 HB3 TYR A 26 6.743 6.082 -0.984 1.00 0.56 H new ATOM 0 HD1 TYR A 26 6.286 8.526 -2.613 1.00 0.75 H new ATOM 0 HD2 TYR A 26 9.409 7.613 0.191 1.00 1.08 H new ATOM 0 HE1 TYR A 26 7.800 10.110 -3.782 1.00 0.87 H new ATOM 0 HE2 TYR A 26 10.920 9.194 -0.972 1.00 1.31 H new ATOM 0 HH TYR A 26 11.180 10.635 -2.676 1.00 1.33 H new ATOM 408 N LEU A 27 3.280 6.647 0.202 1.00 0.46 N ATOM 409 CA LEU A 27 2.350 5.770 0.968 1.00 0.45 C ATOM 410 C LEU A 27 1.732 4.730 0.042 1.00 0.40 C ATOM 411 O LEU A 27 0.939 5.046 -0.822 1.00 0.50 O ATOM 412 CB LEU A 27 1.260 6.697 1.521 1.00 0.51 C ATOM 413 CG LEU A 27 1.811 7.578 2.654 1.00 0.77 C ATOM 414 CD1 LEU A 27 2.562 6.725 3.684 1.00 0.66 C ATOM 415 CD2 LEU A 27 2.756 8.625 2.062 1.00 1.93 C ATOM 0 H LEU A 27 2.863 7.141 -0.587 1.00 0.46 H new ATOM 0 HA LEU A 27 2.866 5.235 1.766 1.00 0.45 H new ATOM 0 HB2 LEU A 27 0.873 7.327 0.721 1.00 0.51 H new ATOM 0 HB3 LEU A 27 0.425 6.102 1.891 1.00 0.51 H new ATOM 0 HG LEU A 27 0.979 8.072 3.156 1.00 0.77 H new ATOM 0 HD11 LEU A 27 2.945 7.366 4.478 1.00 0.66 H new ATOM 0 HD12 LEU A 27 1.883 5.987 4.110 1.00 0.66 H new ATOM 0 HD13 LEU A 27 3.393 6.215 3.197 1.00 0.66 H new ATOM 0 HD21 LEU A 27 3.150 9.253 2.861 1.00 1.93 H new ATOM 0 HD22 LEU A 27 3.580 8.125 1.554 1.00 1.93 H new ATOM 0 HD23 LEU A 27 2.212 9.244 1.349 1.00 1.93 H new ATOM 427 N LEU A 28 2.084 3.491 0.217 1.00 0.33 N ATOM 428 CA LEU A 28 1.506 2.432 -0.652 1.00 0.32 C ATOM 429 C LEU A 28 0.150 1.994 -0.100 1.00 0.29 C ATOM 430 O LEU A 28 0.048 1.538 1.020 1.00 0.35 O ATOM 431 CB LEU A 28 2.505 1.283 -0.598 1.00 0.40 C ATOM 432 CG LEU A 28 2.004 0.145 -1.482 1.00 0.53 C ATOM 433 CD1 LEU A 28 2.313 0.472 -2.943 1.00 0.73 C ATOM 434 CD2 LEU A 28 2.698 -1.156 -1.080 1.00 1.12 C ATOM 0 H LEU A 28 2.745 3.165 0.922 1.00 0.33 H new ATOM 0 HA LEU A 28 1.342 2.774 -1.674 1.00 0.32 H new ATOM 0 HB2 LEU A 28 3.484 1.620 -0.938 1.00 0.40 H new ATOM 0 HB3 LEU A 28 2.625 0.937 0.429 1.00 0.40 H new ATOM 0 HG LEU A 28 0.928 0.026 -1.358 1.00 0.53 H new ATOM 0 HD11 LEU A 28 1.957 -0.338 -3.580 1.00 0.73 H new ATOM 0 HD12 LEU A 28 1.813 1.400 -3.222 1.00 0.73 H new ATOM 0 HD13 LEU A 28 3.389 0.588 -3.070 1.00 0.73 H new ATOM 0 HD21 LEU A 28 2.340 -1.969 -1.711 1.00 1.12 H new ATOM 0 HD22 LEU A 28 3.775 -1.047 -1.204 1.00 1.12 H new ATOM 0 HD23 LEU A 28 2.474 -1.381 -0.037 1.00 1.12 H new ATOM 446 N VAL A 29 -0.892 2.134 -0.868 1.00 0.32 N ATOM 447 CA VAL A 29 -2.235 1.729 -0.366 1.00 0.32 C ATOM 448 C VAL A 29 -2.683 0.419 -1.018 1.00 0.34 C ATOM 449 O VAL A 29 -2.504 0.205 -2.201 1.00 0.47 O ATOM 450 CB VAL A 29 -3.177 2.869 -0.759 1.00 0.40 C ATOM 451 CG1 VAL A 29 -4.551 2.615 -0.139 1.00 0.37 C ATOM 452 CG2 VAL A 29 -2.623 4.199 -0.242 1.00 0.77 C ATOM 0 H VAL A 29 -0.874 2.509 -1.816 1.00 0.32 H new ATOM 0 HA VAL A 29 -2.228 1.559 0.711 1.00 0.32 H new ATOM 0 HB VAL A 29 -3.262 2.915 -1.845 1.00 0.40 H new ATOM 0 HG11 VAL A 29 -5.229 3.423 -0.414 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -4.947 1.668 -0.507 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -4.458 2.573 0.946 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -3.297 5.008 -0.524 1.00 0.77 H new ATOM 0 HG22 VAL A 29 -2.537 4.160 0.844 1.00 0.77 H new ATOM 0 HG23 VAL A 29 -1.640 4.377 -0.677 1.00 0.77 H new ATOM 462 N GLU A 30 -3.274 -0.453 -0.250 1.00 0.32 N ATOM 463 CA GLU A 30 -3.750 -1.751 -0.807 1.00 0.39 C ATOM 464 C GLU A 30 -5.251 -1.906 -0.541 1.00 0.36 C ATOM 465 O GLU A 30 -5.727 -1.650 0.545 1.00 0.42 O ATOM 466 CB GLU A 30 -2.954 -2.823 -0.058 1.00 0.52 C ATOM 467 CG GLU A 30 -3.467 -4.213 -0.449 1.00 0.64 C ATOM 468 CD GLU A 30 -2.384 -5.259 -0.167 1.00 0.89 C ATOM 469 OE1 GLU A 30 -1.450 -4.941 0.551 1.00 1.60 O ATOM 470 OE2 GLU A 30 -2.510 -6.362 -0.673 1.00 1.48 O ATOM 0 H GLU A 30 -3.449 -0.322 0.746 1.00 0.32 H new ATOM 0 HA GLU A 30 -3.604 -1.823 -1.885 1.00 0.39 H new ATOM 0 HB2 GLU A 30 -1.894 -2.736 -0.296 1.00 0.52 H new ATOM 0 HB3 GLU A 30 -3.052 -2.678 1.018 1.00 0.52 H new ATOM 0 HG2 GLU A 30 -4.370 -4.450 0.113 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -3.736 -4.229 -1.505 1.00 0.64 H new ATOM 477 N PHE A 31 -6.000 -2.318 -1.525 1.00 0.35 N ATOM 478 CA PHE A 31 -7.469 -2.480 -1.325 1.00 0.36 C ATOM 479 C PHE A 31 -7.826 -3.959 -1.168 1.00 0.39 C ATOM 480 O PHE A 31 -7.634 -4.748 -2.072 1.00 0.49 O ATOM 481 CB PHE A 31 -8.097 -1.921 -2.600 1.00 0.41 C ATOM 482 CG PHE A 31 -8.126 -0.413 -2.537 1.00 0.38 C ATOM 483 CD1 PHE A 31 -9.088 0.237 -1.755 1.00 0.53 C ATOM 484 CD2 PHE A 31 -7.192 0.335 -3.264 1.00 0.45 C ATOM 485 CE1 PHE A 31 -9.115 1.637 -1.700 1.00 0.59 C ATOM 486 CE2 PHE A 31 -7.219 1.733 -3.209 1.00 0.52 C ATOM 487 CZ PHE A 31 -8.181 2.385 -2.426 1.00 0.53 C ATOM 0 H PHE A 31 -5.660 -2.550 -2.458 1.00 0.35 H new ATOM 0 HA PHE A 31 -7.821 -1.970 -0.428 1.00 0.36 H new ATOM 0 HB2 PHE A 31 -7.527 -2.247 -3.470 1.00 0.41 H new ATOM 0 HB3 PHE A 31 -9.109 -2.309 -2.718 1.00 0.41 H new ATOM 0 HD1 PHE A 31 -9.809 -0.340 -1.195 1.00 0.53 H new ATOM 0 HD2 PHE A 31 -6.450 -0.167 -3.867 1.00 0.45 H new ATOM 0 HE1 PHE A 31 -9.857 2.139 -1.097 1.00 0.59 H new ATOM 0 HE2 PHE A 31 -6.498 2.309 -3.770 1.00 0.52 H new ATOM 0 HZ PHE A 31 -8.202 3.464 -2.383 1.00 0.53 H new ATOM 497 N TYR A 32 -8.353 -4.346 -0.036 1.00 0.37 N ATOM 498 CA TYR A 32 -8.722 -5.780 0.141 1.00 0.44 C ATOM 499 C TYR A 32 -9.675 -5.954 1.333 1.00 0.40 C ATOM 500 O TYR A 32 -9.951 -5.022 2.064 1.00 0.45 O ATOM 501 CB TYR A 32 -7.385 -6.519 0.358 1.00 0.54 C ATOM 502 CG TYR A 32 -6.915 -6.393 1.795 1.00 0.54 C ATOM 503 CD1 TYR A 32 -6.779 -5.125 2.372 1.00 0.58 C ATOM 504 CD2 TYR A 32 -6.613 -7.539 2.540 1.00 0.66 C ATOM 505 CE1 TYR A 32 -6.342 -5.002 3.695 1.00 0.67 C ATOM 506 CE2 TYR A 32 -6.174 -7.414 3.865 1.00 0.79 C ATOM 507 CZ TYR A 32 -6.058 -6.177 4.451 1.00 0.77 C ATOM 508 OH TYR A 32 -5.606 -6.024 5.746 1.00 0.94 O ATOM 0 H TYR A 32 -8.542 -3.740 0.763 1.00 0.37 H new ATOM 0 HA TYR A 32 -9.255 -6.179 -0.722 1.00 0.44 H new ATOM 0 HB2 TYR A 32 -7.503 -7.572 0.102 1.00 0.54 H new ATOM 0 HB3 TYR A 32 -6.628 -6.111 -0.312 1.00 0.54 H new ATOM 0 HD1 TYR A 32 -7.011 -4.242 1.796 1.00 0.58 H new ATOM 0 HD2 TYR A 32 -6.718 -8.517 2.095 1.00 0.66 H new ATOM 0 HE1 TYR A 32 -6.221 -4.025 4.140 1.00 0.67 H new ATOM 0 HE2 TYR A 32 -5.924 -8.299 4.431 1.00 0.79 H new ATOM 0 HH TYR A 32 -4.673 -6.320 5.804 1.00 0.94 H new ATOM 518 N ALA A 33 -10.170 -7.142 1.532 1.00 0.40 N ATOM 519 CA ALA A 33 -11.098 -7.386 2.674 1.00 0.44 C ATOM 520 C ALA A 33 -10.497 -8.432 3.620 1.00 0.53 C ATOM 521 O ALA A 33 -9.614 -9.173 3.236 1.00 0.56 O ATOM 522 CB ALA A 33 -12.382 -7.924 2.038 1.00 0.49 C ATOM 0 H ALA A 33 -9.973 -7.958 0.953 1.00 0.40 H new ATOM 0 HA ALA A 33 -11.280 -6.484 3.259 1.00 0.44 H new ATOM 0 HB1 ALA A 33 -13.116 -8.128 2.817 1.00 0.49 H new ATOM 0 HB2 ALA A 33 -12.783 -7.183 1.346 1.00 0.49 H new ATOM 0 HB3 ALA A 33 -12.162 -8.844 1.497 1.00 0.49 H new ATOM 528 N PRO A 34 -11.003 -8.472 4.828 1.00 0.63 N ATOM 529 CA PRO A 34 -10.507 -9.456 5.820 1.00 0.78 C ATOM 530 C PRO A 34 -10.913 -10.877 5.410 1.00 0.82 C ATOM 531 O PRO A 34 -10.367 -11.849 5.893 1.00 0.96 O ATOM 532 CB PRO A 34 -11.193 -9.039 7.117 1.00 0.90 C ATOM 533 CG PRO A 34 -12.420 -8.305 6.680 1.00 0.81 C ATOM 534 CD PRO A 34 -12.077 -7.634 5.378 1.00 0.66 C ATOM 0 HA PRO A 34 -9.421 -9.467 5.909 1.00 0.78 H new ATOM 0 HB2 PRO A 34 -11.447 -9.906 7.727 1.00 0.90 H new ATOM 0 HB3 PRO A 34 -10.545 -8.403 7.721 1.00 0.90 H new ATOM 0 HG2 PRO A 34 -13.258 -8.991 6.554 1.00 0.81 H new ATOM 0 HG3 PRO A 34 -12.719 -7.570 7.428 1.00 0.81 H new ATOM 0 HD2 PRO A 34 -12.937 -7.594 4.709 1.00 0.66 H new ATOM 0 HD3 PRO A 34 -11.745 -6.607 5.532 1.00 0.66 H new ATOM 542 N TRP A 35 -11.858 -11.006 4.514 1.00 0.74 N ATOM 543 CA TRP A 35 -12.278 -12.371 4.073 1.00 0.83 C ATOM 544 C TRP A 35 -11.790 -12.657 2.646 1.00 0.78 C ATOM 545 O TRP A 35 -12.029 -13.717 2.105 1.00 0.92 O ATOM 546 CB TRP A 35 -13.815 -12.398 4.139 1.00 0.91 C ATOM 547 CG TRP A 35 -14.412 -11.171 3.511 1.00 0.87 C ATOM 548 CD1 TRP A 35 -14.023 -10.608 2.340 1.00 0.84 C ATOM 549 CD2 TRP A 35 -15.513 -10.355 4.007 1.00 1.25 C ATOM 550 NE1 TRP A 35 -14.812 -9.498 2.094 1.00 0.85 N ATOM 551 CE2 TRP A 35 -15.743 -9.303 3.090 1.00 1.19 C ATOM 552 CE3 TRP A 35 -16.323 -10.424 5.153 1.00 1.84 C ATOM 553 CZ2 TRP A 35 -16.742 -8.354 3.302 1.00 1.66 C ATOM 554 CZ3 TRP A 35 -17.330 -9.469 5.370 1.00 2.36 C ATOM 555 CH2 TRP A 35 -17.536 -8.436 4.445 1.00 2.26 C ATOM 0 H TRP A 35 -12.354 -10.232 4.071 1.00 0.74 H new ATOM 0 HA TRP A 35 -11.845 -13.139 4.714 1.00 0.83 H new ATOM 0 HB2 TRP A 35 -14.187 -13.287 3.630 1.00 0.91 H new ATOM 0 HB3 TRP A 35 -14.135 -12.469 5.179 1.00 0.91 H new ATOM 0 HD1 TRP A 35 -13.228 -10.967 1.704 1.00 0.84 H new ATOM 0 HE1 TRP A 35 -14.716 -8.898 1.275 1.00 0.85 H new ATOM 0 HE3 TRP A 35 -16.170 -11.216 5.871 1.00 1.84 H new ATOM 0 HZ2 TRP A 35 -16.900 -7.561 2.586 1.00 1.66 H new ATOM 0 HZ3 TRP A 35 -17.948 -9.531 6.253 1.00 2.36 H new ATOM 0 HH2 TRP A 35 -18.310 -7.703 4.618 1.00 2.26 H new ATOM 566 N CYS A 36 -11.103 -11.727 2.031 1.00 0.65 N ATOM 567 CA CYS A 36 -10.605 -11.966 0.645 1.00 0.67 C ATOM 568 C CYS A 36 -9.808 -13.275 0.596 1.00 0.84 C ATOM 569 O CYS A 36 -9.348 -13.769 1.606 1.00 1.63 O ATOM 570 CB CYS A 36 -9.706 -10.767 0.342 1.00 0.58 C ATOM 571 SG CYS A 36 -9.010 -10.932 -1.320 1.00 1.07 S ATOM 0 H CYS A 36 -10.867 -10.817 2.428 1.00 0.65 H new ATOM 0 HA CYS A 36 -11.411 -12.060 -0.083 1.00 0.67 H new ATOM 0 HB2 CYS A 36 -10.279 -9.843 0.417 1.00 0.58 H new ATOM 0 HB3 CYS A 36 -8.904 -10.706 1.078 1.00 0.58 H new ATOM 576 N GLY A 37 -9.650 -13.846 -0.567 1.00 0.96 N ATOM 577 CA GLY A 37 -8.893 -15.128 -0.671 1.00 1.08 C ATOM 578 C GLY A 37 -7.490 -14.863 -1.224 1.00 1.00 C ATOM 579 O GLY A 37 -6.498 -15.106 -0.565 1.00 1.83 O ATOM 0 H GLY A 37 -10.011 -13.482 -1.449 1.00 0.96 H new ATOM 0 HA2 GLY A 37 -8.824 -15.600 0.309 1.00 1.08 H new ATOM 0 HA3 GLY A 37 -9.425 -15.822 -1.322 1.00 1.08 H new ATOM 583 N HIS A 38 -7.398 -14.371 -2.429 1.00 0.89 N ATOM 584 CA HIS A 38 -6.056 -14.097 -3.023 1.00 0.97 C ATOM 585 C HIS A 38 -5.294 -13.065 -2.185 1.00 0.88 C ATOM 586 O HIS A 38 -4.097 -12.907 -2.321 1.00 1.13 O ATOM 587 CB HIS A 38 -6.345 -13.546 -4.419 1.00 1.32 C ATOM 588 CG HIS A 38 -6.518 -14.687 -5.384 1.00 1.72 C ATOM 589 ND1 HIS A 38 -5.631 -14.916 -6.423 1.00 2.39 N ATOM 590 CD2 HIS A 38 -7.471 -15.670 -5.479 1.00 2.35 C ATOM 591 CE1 HIS A 38 -6.064 -15.999 -7.094 1.00 2.85 C ATOM 592 NE2 HIS A 38 -7.182 -16.499 -6.560 1.00 2.87 N ATOM 0 H HIS A 38 -8.192 -14.147 -3.028 1.00 0.89 H new ATOM 0 HA HIS A 38 -5.434 -14.992 -3.056 1.00 0.97 H new ATOM 0 HB2 HIS A 38 -7.246 -12.932 -4.400 1.00 1.32 H new ATOM 0 HB3 HIS A 38 -5.528 -12.902 -4.744 1.00 1.32 H new ATOM 0 HD2 HIS A 38 -8.316 -15.783 -4.816 1.00 2.35 H new ATOM 0 HE1 HIS A 38 -5.568 -16.414 -7.959 1.00 2.85 H new ATOM 0 HE2 HIS A 38 -7.710 -17.313 -6.876 1.00 2.87 H new ATOM 600 N CYS A 39 -5.971 -12.367 -1.315 1.00 0.79 N ATOM 601 CA CYS A 39 -5.273 -11.359 -0.472 1.00 0.88 C ATOM 602 C CYS A 39 -4.535 -12.068 0.663 1.00 0.82 C ATOM 603 O CYS A 39 -3.585 -11.555 1.218 1.00 1.00 O ATOM 604 CB CYS A 39 -6.381 -10.463 0.086 1.00 1.08 C ATOM 605 SG CYS A 39 -7.358 -9.778 -1.276 1.00 1.00 S ATOM 0 H CYS A 39 -6.974 -12.451 -1.153 1.00 0.79 H new ATOM 0 HA CYS A 39 -4.537 -10.783 -1.032 1.00 0.88 H new ATOM 0 HB2 CYS A 39 -7.023 -11.036 0.754 1.00 1.08 H new ATOM 0 HB3 CYS A 39 -5.947 -9.656 0.676 1.00 1.08 H new ATOM 610 N LYS A 40 -4.968 -13.250 1.010 1.00 0.78 N ATOM 611 CA LYS A 40 -4.293 -13.995 2.106 1.00 0.94 C ATOM 612 C LYS A 40 -2.888 -14.412 1.667 1.00 0.84 C ATOM 613 O LYS A 40 -1.975 -14.491 2.465 1.00 0.94 O ATOM 614 CB LYS A 40 -5.169 -15.225 2.348 1.00 1.21 C ATOM 615 CG LYS A 40 -6.577 -14.777 2.745 1.00 1.56 C ATOM 616 CD LYS A 40 -6.556 -14.237 4.177 1.00 2.11 C ATOM 617 CE LYS A 40 -7.922 -14.461 4.826 1.00 2.72 C ATOM 618 NZ LYS A 40 -8.103 -13.304 5.745 1.00 3.29 N ATOM 0 H LYS A 40 -5.759 -13.730 0.581 1.00 0.78 H new ATOM 0 HA LYS A 40 -4.180 -13.394 3.009 1.00 0.94 H new ATOM 0 HB2 LYS A 40 -5.211 -15.838 1.448 1.00 1.21 H new ATOM 0 HB3 LYS A 40 -4.737 -15.844 3.135 1.00 1.21 H new ATOM 0 HG2 LYS A 40 -6.932 -14.007 2.060 1.00 1.56 H new ATOM 0 HG3 LYS A 40 -7.271 -15.614 2.671 1.00 1.56 H new ATOM 0 HD2 LYS A 40 -5.780 -14.739 4.755 1.00 2.11 H new ATOM 0 HD3 LYS A 40 -6.313 -13.174 4.173 1.00 2.11 H new ATOM 0 HE2 LYS A 40 -8.714 -14.499 4.078 1.00 2.72 H new ATOM 0 HE3 LYS A 40 -7.951 -15.406 5.369 1.00 2.72 H new ATOM 0 HZ1 LYS A 40 -9.111 -13.052 5.792 1.00 3.29 H new ATOM 0 HZ2 LYS A 40 -7.765 -13.559 6.695 1.00 3.29 H new ATOM 0 HZ3 LYS A 40 -7.560 -12.491 5.391 1.00 3.29 H new ATOM 632 N ALA A 41 -2.707 -14.676 0.402 1.00 0.77 N ATOM 633 CA ALA A 41 -1.359 -15.085 -0.087 1.00 0.86 C ATOM 634 C ALA A 41 -0.362 -13.933 0.074 1.00 0.75 C ATOM 635 O ALA A 41 0.837 -14.133 0.063 1.00 0.90 O ATOM 636 CB ALA A 41 -1.560 -15.417 -1.566 1.00 0.93 C ATOM 0 H ALA A 41 -3.432 -14.626 -0.313 1.00 0.77 H new ATOM 0 HA ALA A 41 -0.957 -15.931 0.471 1.00 0.86 H new ATOM 0 HB1 ALA A 41 -0.610 -15.728 -2.001 1.00 0.93 H new ATOM 0 HB2 ALA A 41 -2.285 -16.225 -1.662 1.00 0.93 H new ATOM 0 HB3 ALA A 41 -1.928 -14.535 -2.090 1.00 0.93 H new ATOM 642 N LEU A 42 -0.845 -12.729 0.225 1.00 0.65 N ATOM 643 CA LEU A 42 0.079 -11.568 0.386 1.00 0.67 C ATOM 644 C LEU A 42 -0.184 -10.842 1.713 1.00 0.63 C ATOM 645 O LEU A 42 0.527 -9.926 2.076 1.00 0.70 O ATOM 646 CB LEU A 42 -0.237 -10.652 -0.797 1.00 0.82 C ATOM 647 CG LEU A 42 0.846 -9.577 -0.914 1.00 0.86 C ATOM 648 CD1 LEU A 42 1.848 -9.981 -1.997 1.00 1.24 C ATOM 649 CD2 LEU A 42 0.198 -8.243 -1.289 1.00 1.37 C ATOM 0 H LEU A 42 -1.838 -12.499 0.244 1.00 0.65 H new ATOM 0 HA LEU A 42 1.124 -11.876 0.404 1.00 0.67 H new ATOM 0 HB2 LEU A 42 -0.288 -11.234 -1.717 1.00 0.82 H new ATOM 0 HB3 LEU A 42 -1.213 -10.187 -0.660 1.00 0.82 H new ATOM 0 HG LEU A 42 1.364 -9.474 0.040 1.00 0.86 H new ATOM 0 HD11 LEU A 42 2.620 -9.216 -2.082 1.00 1.24 H new ATOM 0 HD12 LEU A 42 2.308 -10.933 -1.731 1.00 1.24 H new ATOM 0 HD13 LEU A 42 1.331 -10.082 -2.951 1.00 1.24 H new ATOM 0 HD21 LEU A 42 0.967 -7.476 -1.373 1.00 1.37 H new ATOM 0 HD22 LEU A 42 -0.318 -8.345 -2.243 1.00 1.37 H new ATOM 0 HD23 LEU A 42 -0.517 -7.957 -0.518 1.00 1.37 H new ATOM 661 N ALA A 43 -1.197 -11.237 2.439 1.00 0.71 N ATOM 662 CA ALA A 43 -1.494 -10.558 3.734 1.00 0.73 C ATOM 663 C ALA A 43 -0.264 -10.589 4.653 1.00 0.67 C ATOM 664 O ALA A 43 0.210 -9.554 5.079 1.00 0.65 O ATOM 665 CB ALA A 43 -2.643 -11.359 4.347 1.00 0.88 C ATOM 0 H ALA A 43 -1.830 -11.998 2.192 1.00 0.71 H new ATOM 0 HA ALA A 43 -1.755 -9.509 3.596 1.00 0.73 H new ATOM 0 HB1 ALA A 43 -2.921 -10.921 5.306 1.00 0.88 H new ATOM 0 HB2 ALA A 43 -3.501 -11.337 3.675 1.00 0.88 H new ATOM 0 HB3 ALA A 43 -2.327 -12.391 4.498 1.00 0.88 H new ATOM 671 N PRO A 44 0.216 -11.777 4.937 1.00 0.69 N ATOM 672 CA PRO A 44 1.399 -11.919 5.822 1.00 0.70 C ATOM 673 C PRO A 44 2.682 -11.483 5.102 1.00 0.59 C ATOM 674 O PRO A 44 3.742 -11.426 5.692 1.00 0.65 O ATOM 675 CB PRO A 44 1.434 -13.410 6.140 1.00 0.83 C ATOM 676 CG PRO A 44 0.724 -14.068 4.998 1.00 0.84 C ATOM 677 CD PRO A 44 -0.289 -13.082 4.477 1.00 0.76 C ATOM 0 HA PRO A 44 1.334 -11.296 6.714 1.00 0.70 H new ATOM 0 HB2 PRO A 44 2.459 -13.771 6.228 1.00 0.83 H new ATOM 0 HB3 PRO A 44 0.939 -13.623 7.087 1.00 0.83 H new ATOM 0 HG2 PRO A 44 1.429 -14.345 4.215 1.00 0.84 H new ATOM 0 HG3 PRO A 44 0.235 -14.985 5.326 1.00 0.84 H new ATOM 0 HD2 PRO A 44 -0.362 -13.121 3.390 1.00 0.76 H new ATOM 0 HD3 PRO A 44 -1.285 -13.286 4.871 1.00 0.76 H new ATOM 685 N GLU A 45 2.598 -11.165 3.839 1.00 0.53 N ATOM 686 CA GLU A 45 3.814 -10.723 3.104 1.00 0.46 C ATOM 687 C GLU A 45 3.855 -9.200 3.084 1.00 0.41 C ATOM 688 O GLU A 45 4.898 -8.588 3.190 1.00 0.47 O ATOM 689 CB GLU A 45 3.640 -11.283 1.690 1.00 0.48 C ATOM 690 CG GLU A 45 3.811 -12.804 1.717 1.00 0.61 C ATOM 691 CD GLU A 45 2.436 -13.473 1.717 1.00 1.12 C ATOM 692 OE1 GLU A 45 1.491 -12.841 1.277 1.00 1.83 O ATOM 693 OE2 GLU A 45 2.352 -14.607 2.159 1.00 1.90 O ATOM 0 H GLU A 45 1.741 -11.192 3.286 1.00 0.53 H new ATOM 0 HA GLU A 45 4.742 -11.069 3.559 1.00 0.46 H new ATOM 0 HB2 GLU A 45 2.654 -11.024 1.304 1.00 0.48 H new ATOM 0 HB3 GLU A 45 4.373 -10.836 1.018 1.00 0.48 H new ATOM 0 HG2 GLU A 45 4.386 -13.131 0.851 1.00 0.61 H new ATOM 0 HG3 GLU A 45 4.372 -13.102 2.603 1.00 0.61 H new ATOM 700 N TYR A 46 2.713 -8.588 2.970 1.00 0.43 N ATOM 701 CA TYR A 46 2.657 -7.105 2.963 1.00 0.48 C ATOM 702 C TYR A 46 2.825 -6.589 4.405 1.00 0.52 C ATOM 703 O TYR A 46 3.158 -5.442 4.626 1.00 0.69 O ATOM 704 CB TYR A 46 1.263 -6.792 2.369 1.00 0.64 C ATOM 705 CG TYR A 46 0.659 -5.543 2.978 1.00 0.72 C ATOM 706 CD1 TYR A 46 0.014 -5.603 4.218 1.00 1.03 C ATOM 707 CD2 TYR A 46 0.746 -4.328 2.290 1.00 1.02 C ATOM 708 CE1 TYR A 46 -0.544 -4.445 4.771 1.00 1.39 C ATOM 709 CE2 TYR A 46 0.190 -3.171 2.843 1.00 1.38 C ATOM 710 CZ TYR A 46 -0.458 -3.248 4.120 1.00 1.50 C ATOM 711 OH TYR A 46 -1.008 -2.088 4.625 1.00 1.95 O ATOM 0 H TYR A 46 1.811 -9.055 2.881 1.00 0.43 H new ATOM 0 HA TYR A 46 3.444 -6.623 2.382 1.00 0.48 H new ATOM 0 HB2 TYR A 46 1.348 -6.665 1.290 1.00 0.64 H new ATOM 0 HB3 TYR A 46 0.597 -7.638 2.539 1.00 0.64 H new ATOM 0 HD1 TYR A 46 -0.053 -6.542 4.748 1.00 1.03 H new ATOM 0 HD2 TYR A 46 1.243 -4.284 1.332 1.00 1.02 H new ATOM 0 HE1 TYR A 46 -1.049 -4.499 5.724 1.00 1.39 H new ATOM 0 HE2 TYR A 46 0.248 -2.231 2.315 1.00 1.38 H new ATOM 0 HH TYR A 46 -0.316 -1.396 4.684 1.00 1.95 H new ATOM 721 N ALA A 47 2.590 -7.426 5.383 1.00 0.53 N ATOM 722 CA ALA A 47 2.732 -6.974 6.795 1.00 0.62 C ATOM 723 C ALA A 47 4.201 -6.990 7.222 1.00 0.58 C ATOM 724 O ALA A 47 4.620 -6.212 8.057 1.00 0.68 O ATOM 725 CB ALA A 47 1.922 -7.980 7.616 1.00 0.73 C ATOM 0 H ALA A 47 2.307 -8.399 5.263 1.00 0.53 H new ATOM 0 HA ALA A 47 2.379 -5.952 6.934 1.00 0.62 H new ATOM 0 HB1 ALA A 47 1.976 -7.716 8.672 1.00 0.73 H new ATOM 0 HB2 ALA A 47 0.882 -7.962 7.291 1.00 0.73 H new ATOM 0 HB3 ALA A 47 2.330 -8.980 7.471 1.00 0.73 H new ATOM 731 N LYS A 48 4.989 -7.870 6.665 1.00 0.51 N ATOM 732 CA LYS A 48 6.426 -7.924 7.056 1.00 0.55 C ATOM 733 C LYS A 48 7.259 -6.986 6.171 1.00 0.53 C ATOM 734 O LYS A 48 8.255 -6.437 6.600 1.00 0.65 O ATOM 735 CB LYS A 48 6.833 -9.387 6.854 1.00 0.60 C ATOM 736 CG LYS A 48 6.859 -9.728 5.360 1.00 1.03 C ATOM 737 CD LYS A 48 7.117 -11.225 5.183 1.00 1.41 C ATOM 738 CE LYS A 48 8.609 -11.510 5.362 1.00 1.92 C ATOM 739 NZ LYS A 48 8.793 -12.909 4.888 1.00 2.47 N ATOM 0 H LYS A 48 4.702 -8.550 5.961 1.00 0.51 H new ATOM 0 HA LYS A 48 6.591 -7.598 8.083 1.00 0.55 H new ATOM 0 HB2 LYS A 48 7.816 -9.562 7.292 1.00 0.60 H new ATOM 0 HB3 LYS A 48 6.132 -10.042 7.372 1.00 0.60 H new ATOM 0 HG2 LYS A 48 5.911 -9.454 4.897 1.00 1.03 H new ATOM 0 HG3 LYS A 48 7.637 -9.152 4.858 1.00 1.03 H new ATOM 0 HD2 LYS A 48 6.537 -11.793 5.911 1.00 1.41 H new ATOM 0 HD3 LYS A 48 6.790 -11.547 4.194 1.00 1.41 H new ATOM 0 HE2 LYS A 48 9.216 -10.814 4.783 1.00 1.92 H new ATOM 0 HE3 LYS A 48 8.909 -11.404 6.405 1.00 1.92 H new ATOM 0 HZ1 LYS A 48 9.793 -13.178 4.980 1.00 2.47 H new ATOM 0 HZ2 LYS A 48 8.208 -13.550 5.462 1.00 2.47 H new ATOM 0 HZ3 LYS A 48 8.506 -12.978 3.891 1.00 2.47 H new ATOM 753 N ALA A 49 6.862 -6.802 4.941 1.00 0.47 N ATOM 754 CA ALA A 49 7.634 -5.904 4.033 1.00 0.50 C ATOM 755 C ALA A 49 7.712 -4.494 4.620 1.00 0.53 C ATOM 756 O ALA A 49 8.701 -3.803 4.474 1.00 0.65 O ATOM 757 CB ALA A 49 6.853 -5.898 2.719 1.00 0.55 C ATOM 0 H ALA A 49 6.037 -7.234 4.525 1.00 0.47 H new ATOM 0 HA ALA A 49 8.660 -6.244 3.894 1.00 0.50 H new ATOM 0 HB1 ALA A 49 7.360 -5.257 1.997 1.00 0.55 H new ATOM 0 HB2 ALA A 49 6.795 -6.913 2.325 1.00 0.55 H new ATOM 0 HB3 ALA A 49 5.846 -5.520 2.896 1.00 0.55 H new ATOM 763 N ALA A 50 6.676 -4.060 5.282 1.00 0.54 N ATOM 764 CA ALA A 50 6.690 -2.691 5.876 1.00 0.65 C ATOM 765 C ALA A 50 7.778 -2.592 6.949 1.00 0.65 C ATOM 766 O ALA A 50 8.275 -1.524 7.245 1.00 0.77 O ATOM 767 CB ALA A 50 5.305 -2.511 6.500 1.00 0.76 C ATOM 0 H ALA A 50 5.820 -4.592 5.438 1.00 0.54 H new ATOM 0 HA ALA A 50 6.904 -1.923 5.133 1.00 0.65 H new ATOM 0 HB1 ALA A 50 5.238 -1.524 6.958 1.00 0.76 H new ATOM 0 HB2 ALA A 50 4.543 -2.604 5.727 1.00 0.76 H new ATOM 0 HB3 ALA A 50 5.146 -3.276 7.260 1.00 0.76 H new ATOM 773 N GLY A 51 8.152 -3.698 7.531 1.00 0.59 N ATOM 774 CA GLY A 51 9.208 -3.665 8.583 1.00 0.69 C ATOM 775 C GLY A 51 10.572 -4.015 7.972 1.00 0.78 C ATOM 776 O GLY A 51 11.582 -3.995 8.647 1.00 0.90 O ATOM 0 H GLY A 51 7.773 -4.622 7.324 1.00 0.59 H new ATOM 0 HA2 GLY A 51 9.248 -2.675 9.038 1.00 0.69 H new ATOM 0 HA3 GLY A 51 8.964 -4.371 9.376 1.00 0.69 H new ATOM 780 N LYS A 52 10.618 -4.334 6.703 1.00 0.80 N ATOM 781 CA LYS A 52 11.924 -4.680 6.072 1.00 1.01 C ATOM 782 C LYS A 52 12.708 -3.408 5.744 1.00 1.12 C ATOM 783 O LYS A 52 13.875 -3.288 6.061 1.00 1.31 O ATOM 784 CB LYS A 52 11.558 -5.430 4.792 1.00 1.15 C ATOM 785 CG LYS A 52 11.056 -6.831 5.148 1.00 1.49 C ATOM 786 CD LYS A 52 12.233 -7.806 5.165 1.00 1.97 C ATOM 787 CE LYS A 52 12.109 -8.778 3.991 1.00 2.64 C ATOM 788 NZ LYS A 52 12.621 -10.076 4.511 1.00 3.08 N ATOM 0 H LYS A 52 9.811 -4.369 6.081 1.00 0.80 H new ATOM 0 HA LYS A 52 12.554 -5.279 6.730 1.00 1.01 H new ATOM 0 HB2 LYS A 52 10.789 -4.884 4.245 1.00 1.15 H new ATOM 0 HB3 LYS A 52 12.427 -5.499 4.137 1.00 1.15 H new ATOM 0 HG2 LYS A 52 10.568 -6.817 6.122 1.00 1.49 H new ATOM 0 HG3 LYS A 52 10.311 -7.157 4.423 1.00 1.49 H new ATOM 0 HD2 LYS A 52 13.173 -7.258 5.099 1.00 1.97 H new ATOM 0 HD3 LYS A 52 12.249 -8.356 6.106 1.00 1.97 H new ATOM 0 HE2 LYS A 52 11.075 -8.866 3.659 1.00 2.64 H new ATOM 0 HE3 LYS A 52 12.691 -8.439 3.134 1.00 2.64 H new ATOM 0 HZ1 LYS A 52 12.568 -10.795 3.762 1.00 3.08 H new ATOM 0 HZ2 LYS A 52 13.610 -9.963 4.813 1.00 3.08 H new ATOM 0 HZ3 LYS A 52 12.043 -10.377 5.322 1.00 3.08 H new ATOM 802 N LEU A 53 12.079 -2.457 5.106 1.00 1.12 N ATOM 803 CA LEU A 53 12.798 -1.198 4.757 1.00 1.33 C ATOM 804 C LEU A 53 13.067 -0.354 6.019 1.00 1.30 C ATOM 805 O LEU A 53 13.773 0.633 5.973 1.00 1.50 O ATOM 806 CB LEU A 53 11.874 -0.473 3.753 1.00 1.55 C ATOM 807 CG LEU A 53 10.801 0.364 4.470 1.00 1.47 C ATOM 808 CD1 LEU A 53 9.983 1.137 3.433 1.00 1.82 C ATOM 809 CD2 LEU A 53 9.873 -0.553 5.267 1.00 2.07 C ATOM 0 H LEU A 53 11.103 -2.497 4.813 1.00 1.12 H new ATOM 0 HA LEU A 53 13.779 -1.385 4.321 1.00 1.33 H new ATOM 0 HB2 LEU A 53 12.471 0.174 3.111 1.00 1.55 H new ATOM 0 HB3 LEU A 53 11.392 -1.207 3.107 1.00 1.55 H new ATOM 0 HG LEU A 53 11.287 1.063 5.151 1.00 1.47 H new ATOM 0 HD11 LEU A 53 9.222 1.731 3.939 1.00 1.82 H new ATOM 0 HD12 LEU A 53 10.642 1.797 2.868 1.00 1.82 H new ATOM 0 HD13 LEU A 53 9.502 0.435 2.752 1.00 1.82 H new ATOM 0 HD21 LEU A 53 9.116 0.046 5.772 1.00 2.07 H new ATOM 0 HD22 LEU A 53 9.388 -1.256 4.590 1.00 2.07 H new ATOM 0 HD23 LEU A 53 10.453 -1.104 6.007 1.00 2.07 H new ATOM 821 N LYS A 54 12.512 -0.736 7.141 1.00 1.20 N ATOM 822 CA LYS A 54 12.745 0.046 8.390 1.00 1.35 C ATOM 823 C LYS A 54 14.212 -0.060 8.813 1.00 1.40 C ATOM 824 O LYS A 54 14.925 0.922 8.869 1.00 1.67 O ATOM 825 CB LYS A 54 11.837 -0.598 9.438 1.00 1.46 C ATOM 826 CG LYS A 54 10.501 0.148 9.489 1.00 1.91 C ATOM 827 CD LYS A 54 10.699 1.504 10.171 1.00 2.50 C ATOM 828 CE LYS A 54 9.431 1.878 10.943 1.00 2.87 C ATOM 829 NZ LYS A 54 8.684 2.793 10.036 1.00 3.88 N ATOM 0 H LYS A 54 11.910 -1.553 7.245 1.00 1.20 H new ATOM 0 HA LYS A 54 12.527 1.106 8.260 1.00 1.35 H new ATOM 0 HB2 LYS A 54 11.670 -1.647 9.194 1.00 1.46 H new ATOM 0 HB3 LYS A 54 12.318 -0.571 10.416 1.00 1.46 H new ATOM 0 HG2 LYS A 54 10.113 0.290 8.480 1.00 1.91 H new ATOM 0 HG3 LYS A 54 9.764 -0.441 10.035 1.00 1.91 H new ATOM 0 HD2 LYS A 54 11.551 1.461 10.849 1.00 2.50 H new ATOM 0 HD3 LYS A 54 10.923 2.268 9.427 1.00 2.50 H new ATOM 0 HE2 LYS A 54 8.841 0.994 11.185 1.00 2.87 H new ATOM 0 HE3 LYS A 54 9.673 2.368 11.886 1.00 2.87 H new ATOM 0 HZ1 LYS A 54 7.801 3.093 10.496 1.00 3.88 H new ATOM 0 HZ2 LYS A 54 9.267 3.628 9.828 1.00 3.88 H new ATOM 0 HZ3 LYS A 54 8.461 2.297 9.149 1.00 3.88 H new ATOM 843 N ALA A 55 14.669 -1.247 9.107 1.00 1.63 N ATOM 844 CA ALA A 55 16.091 -1.415 9.524 1.00 2.20 C ATOM 845 C ALA A 55 17.023 -0.835 8.457 1.00 2.03 C ATOM 846 O ALA A 55 18.151 -0.477 8.732 1.00 2.38 O ATOM 847 CB ALA A 55 16.294 -2.926 9.647 1.00 2.78 C ATOM 0 H ALA A 55 14.120 -2.106 9.077 1.00 1.63 H new ATOM 0 HA ALA A 55 16.312 -0.898 10.458 1.00 2.20 H new ATOM 0 HB1 ALA A 55 17.320 -3.132 9.952 1.00 2.78 H new ATOM 0 HB2 ALA A 55 15.607 -3.326 10.393 1.00 2.78 H new ATOM 0 HB3 ALA A 55 16.100 -3.399 8.684 1.00 2.78 H new ATOM 853 N GLU A 56 16.559 -0.738 7.241 1.00 1.67 N ATOM 854 CA GLU A 56 17.418 -0.180 6.157 1.00 1.70 C ATOM 855 C GLU A 56 17.479 1.344 6.267 1.00 1.53 C ATOM 856 O GLU A 56 18.517 1.950 6.087 1.00 1.98 O ATOM 857 CB GLU A 56 16.736 -0.599 4.855 1.00 1.99 C ATOM 858 CG GLU A 56 17.340 -1.916 4.364 1.00 2.69 C ATOM 859 CD GLU A 56 18.664 -1.640 3.651 1.00 3.21 C ATOM 860 OE1 GLU A 56 18.626 -1.082 2.566 1.00 3.64 O ATOM 861 OE2 GLU A 56 19.695 -1.991 4.201 1.00 3.63 O ATOM 0 H GLU A 56 15.623 -1.021 6.951 1.00 1.67 H new ATOM 0 HA GLU A 56 18.444 -0.544 6.212 1.00 1.70 H new ATOM 0 HB2 GLU A 56 15.664 -0.715 5.015 1.00 1.99 H new ATOM 0 HB3 GLU A 56 16.864 0.176 4.099 1.00 1.99 H new ATOM 0 HG2 GLU A 56 17.502 -2.589 5.206 1.00 2.69 H new ATOM 0 HG3 GLU A 56 16.647 -2.415 3.686 1.00 2.69 H new ATOM 868 N GLY A 57 16.373 1.968 6.562 1.00 1.58 N ATOM 869 CA GLY A 57 16.364 3.453 6.686 1.00 2.25 C ATOM 870 C GLY A 57 15.650 4.066 5.479 1.00 1.97 C ATOM 871 O GLY A 57 15.904 5.193 5.103 1.00 2.50 O ATOM 0 H GLY A 57 15.474 1.514 6.723 1.00 1.58 H new ATOM 0 HA2 GLY A 57 15.861 3.748 7.607 1.00 2.25 H new ATOM 0 HA3 GLY A 57 17.385 3.829 6.746 1.00 2.25 H new ATOM 875 N SER A 58 14.756 3.335 4.869 1.00 1.30 N ATOM 876 CA SER A 58 14.029 3.884 3.689 1.00 1.23 C ATOM 877 C SER A 58 13.009 4.930 4.143 1.00 1.03 C ATOM 878 O SER A 58 12.713 5.054 5.316 1.00 1.27 O ATOM 879 CB SER A 58 13.326 2.682 3.059 1.00 1.53 C ATOM 880 OG SER A 58 13.976 2.336 1.845 1.00 2.13 O ATOM 0 H SER A 58 14.499 2.385 5.136 1.00 1.30 H new ATOM 0 HA SER A 58 14.697 4.376 2.982 1.00 1.23 H new ATOM 0 HB2 SER A 58 13.342 1.836 3.746 1.00 1.53 H new ATOM 0 HB3 SER A 58 12.279 2.918 2.869 1.00 1.53 H new ATOM 0 HG SER A 58 13.526 1.564 1.442 1.00 2.13 H new ATOM 886 N GLU A 59 12.471 5.690 3.229 1.00 0.85 N ATOM 887 CA GLU A 59 11.478 6.727 3.611 1.00 0.87 C ATOM 888 C GLU A 59 10.107 6.387 3.026 1.00 0.76 C ATOM 889 O GLU A 59 9.307 7.259 2.750 1.00 1.06 O ATOM 890 CB GLU A 59 12.015 8.020 3.000 1.00 1.10 C ATOM 891 CG GLU A 59 12.238 7.831 1.496 1.00 1.05 C ATOM 892 CD GLU A 59 10.887 7.828 0.776 1.00 1.58 C ATOM 893 OE1 GLU A 59 10.062 6.995 1.113 1.00 2.22 O ATOM 894 OE2 GLU A 59 10.703 8.657 -0.099 1.00 2.13 O ATOM 0 H GLU A 59 12.679 5.635 2.232 1.00 0.85 H new ATOM 0 HA GLU A 59 11.350 6.804 4.691 1.00 0.87 H new ATOM 0 HB2 GLU A 59 11.311 8.834 3.173 1.00 1.10 H new ATOM 0 HB3 GLU A 59 12.951 8.300 3.483 1.00 1.10 H new ATOM 0 HG2 GLU A 59 12.867 8.632 1.107 1.00 1.05 H new ATOM 0 HG3 GLU A 59 12.763 6.894 1.310 1.00 1.05 H new ATOM 901 N ILE A 60 9.829 5.128 2.827 1.00 0.59 N ATOM 902 CA ILE A 60 8.513 4.742 2.251 1.00 0.57 C ATOM 903 C ILE A 60 7.668 4.017 3.301 1.00 0.52 C ATOM 904 O ILE A 60 8.155 3.632 4.345 1.00 0.63 O ATOM 905 CB ILE A 60 8.847 3.802 1.094 1.00 0.68 C ATOM 906 CG1 ILE A 60 9.862 4.464 0.158 1.00 1.46 C ATOM 907 CG2 ILE A 60 7.574 3.495 0.317 1.00 1.34 C ATOM 908 CD1 ILE A 60 11.209 3.746 0.274 1.00 1.60 C ATOM 0 H ILE A 60 10.456 4.352 3.038 1.00 0.59 H new ATOM 0 HA ILE A 60 7.938 5.607 1.921 1.00 0.57 H new ATOM 0 HB ILE A 60 9.274 2.881 1.491 1.00 0.68 H new ATOM 0 HG12 ILE A 60 9.504 4.424 -0.871 1.00 1.46 H new ATOM 0 HG13 ILE A 60 9.976 5.517 0.415 1.00 1.46 H new ATOM 0 HG21 ILE A 60 7.806 2.824 -0.510 1.00 1.34 H new ATOM 0 HG22 ILE A 60 6.850 3.019 0.978 1.00 1.34 H new ATOM 0 HG23 ILE A 60 7.154 4.422 -0.074 1.00 1.34 H new ATOM 0 HD11 ILE A 60 11.931 4.218 -0.392 1.00 1.60 H new ATOM 0 HD12 ILE A 60 11.568 3.809 1.301 1.00 1.60 H new ATOM 0 HD13 ILE A 60 11.088 2.699 -0.004 1.00 1.60 H new ATOM 920 N ARG A 61 6.405 3.827 3.032 1.00 0.45 N ATOM 921 CA ARG A 61 5.533 3.127 4.020 1.00 0.45 C ATOM 922 C ARG A 61 4.477 2.274 3.308 1.00 0.41 C ATOM 923 O ARG A 61 4.132 2.515 2.169 1.00 0.55 O ATOM 924 CB ARG A 61 4.865 4.245 4.819 1.00 0.51 C ATOM 925 CG ARG A 61 5.718 4.574 6.045 1.00 0.75 C ATOM 926 CD ARG A 61 5.315 5.944 6.593 1.00 0.97 C ATOM 927 NE ARG A 61 5.040 5.713 8.037 1.00 1.30 N ATOM 928 CZ ARG A 61 5.841 6.208 8.940 1.00 1.66 C ATOM 929 NH1 ARG A 61 7.134 6.142 8.772 1.00 2.19 N ATOM 930 NH2 ARG A 61 5.351 6.768 10.011 1.00 2.21 N ATOM 0 H ARG A 61 5.940 4.125 2.174 1.00 0.45 H new ATOM 0 HA ARG A 61 6.103 2.449 4.655 1.00 0.45 H new ATOM 0 HB2 ARG A 61 4.747 5.132 4.196 1.00 0.51 H new ATOM 0 HB3 ARG A 61 3.866 3.938 5.129 1.00 0.51 H new ATOM 0 HG2 ARG A 61 5.583 3.810 6.811 1.00 0.75 H new ATOM 0 HG3 ARG A 61 6.775 4.574 5.777 1.00 0.75 H new ATOM 0 HD2 ARG A 61 6.112 6.675 6.455 1.00 0.97 H new ATOM 0 HD3 ARG A 61 4.435 6.331 6.080 1.00 0.97 H new ATOM 0 HE ARG A 61 4.226 5.168 8.321 1.00 1.30 H new ATOM 0 HH11 ARG A 61 7.518 5.704 7.935 1.00 2.19 H new ATOM 0 HH12 ARG A 61 7.760 6.529 9.478 1.00 2.19 H new ATOM 0 HH21 ARG A 61 4.341 6.819 10.143 1.00 2.21 H new ATOM 0 HH22 ARG A 61 5.978 7.155 10.717 1.00 2.21 H new ATOM 944 N LEU A 62 3.959 1.282 3.982 1.00 0.35 N ATOM 945 CA LEU A 62 2.920 0.411 3.360 1.00 0.36 C ATOM 946 C LEU A 62 1.583 0.592 4.083 1.00 0.32 C ATOM 947 O LEU A 62 1.527 0.636 5.296 1.00 0.38 O ATOM 948 CB LEU A 62 3.437 -1.017 3.543 1.00 0.48 C ATOM 949 CG LEU A 62 4.216 -1.443 2.297 1.00 0.73 C ATOM 950 CD1 LEU A 62 5.712 -1.231 2.534 1.00 1.22 C ATOM 951 CD2 LEU A 62 3.948 -2.922 2.011 1.00 1.59 C ATOM 0 H LEU A 62 4.212 1.037 4.939 1.00 0.35 H new ATOM 0 HA LEU A 62 2.752 0.652 2.310 1.00 0.36 H new ATOM 0 HB2 LEU A 62 4.079 -1.073 4.422 1.00 0.48 H new ATOM 0 HB3 LEU A 62 2.603 -1.698 3.713 1.00 0.48 H new ATOM 0 HG LEU A 62 3.896 -0.844 1.444 1.00 0.73 H new ATOM 0 HD11 LEU A 62 6.268 -1.534 1.647 1.00 1.22 H new ATOM 0 HD12 LEU A 62 5.902 -0.177 2.739 1.00 1.22 H new ATOM 0 HD13 LEU A 62 6.034 -1.830 3.386 1.00 1.22 H new ATOM 0 HD21 LEU A 62 4.502 -3.227 1.123 1.00 1.59 H new ATOM 0 HD22 LEU A 62 4.269 -3.521 2.863 1.00 1.59 H new ATOM 0 HD23 LEU A 62 2.882 -3.073 1.842 1.00 1.59 H new ATOM 963 N ALA A 63 0.506 0.699 3.352 1.00 0.30 N ATOM 964 CA ALA A 63 -0.822 0.880 4.009 1.00 0.32 C ATOM 965 C ALA A 63 -1.874 0.000 3.328 1.00 0.31 C ATOM 966 O ALA A 63 -1.688 -0.459 2.218 1.00 0.37 O ATOM 967 CB ALA A 63 -1.155 2.360 3.828 1.00 0.37 C ATOM 0 H ALA A 63 0.487 0.669 2.333 1.00 0.30 H new ATOM 0 HA ALA A 63 -0.806 0.594 5.061 1.00 0.32 H new ATOM 0 HB1 ALA A 63 -2.121 2.574 4.286 1.00 0.37 H new ATOM 0 HB2 ALA A 63 -0.385 2.967 4.304 1.00 0.37 H new ATOM 0 HB3 ALA A 63 -1.197 2.596 2.765 1.00 0.37 H new ATOM 973 N LYS A 64 -2.975 -0.244 3.987 1.00 0.30 N ATOM 974 CA LYS A 64 -4.033 -1.103 3.374 1.00 0.32 C ATOM 975 C LYS A 64 -5.427 -0.547 3.674 1.00 0.32 C ATOM 976 O LYS A 64 -5.631 0.161 4.640 1.00 0.40 O ATOM 977 CB LYS A 64 -3.863 -2.478 4.023 1.00 0.38 C ATOM 978 CG LYS A 64 -4.087 -2.365 5.533 1.00 1.39 C ATOM 979 CD LYS A 64 -3.192 -3.372 6.257 1.00 1.60 C ATOM 980 CE LYS A 64 -3.935 -3.941 7.467 1.00 2.04 C ATOM 981 NZ LYS A 64 -2.862 -4.416 8.385 1.00 2.26 N ATOM 0 H LYS A 64 -3.188 0.112 4.919 1.00 0.30 H new ATOM 0 HA LYS A 64 -3.936 -1.144 2.289 1.00 0.32 H new ATOM 0 HB2 LYS A 64 -4.572 -3.185 3.592 1.00 0.38 H new ATOM 0 HB3 LYS A 64 -2.864 -2.865 3.821 1.00 0.38 H new ATOM 0 HG2 LYS A 64 -3.862 -1.353 5.870 1.00 1.39 H new ATOM 0 HG3 LYS A 64 -5.133 -2.555 5.772 1.00 1.39 H new ATOM 0 HD2 LYS A 64 -2.911 -4.177 5.579 1.00 1.60 H new ATOM 0 HD3 LYS A 64 -2.269 -2.889 6.578 1.00 1.60 H new ATOM 0 HE2 LYS A 64 -4.555 -3.182 7.943 1.00 2.04 H new ATOM 0 HE3 LYS A 64 -4.597 -4.757 7.177 1.00 2.04 H new ATOM 0 HZ1 LYS A 64 -3.292 -4.821 9.241 1.00 2.26 H new ATOM 0 HZ2 LYS A 64 -2.292 -5.143 7.906 1.00 2.26 H new ATOM 0 HZ3 LYS A 64 -2.252 -3.616 8.649 1.00 2.26 H new ATOM 995 N VAL A 65 -6.387 -0.874 2.853 1.00 0.30 N ATOM 996 CA VAL A 65 -7.774 -0.381 3.084 1.00 0.32 C ATOM 997 C VAL A 65 -8.737 -1.564 3.150 1.00 0.31 C ATOM 998 O VAL A 65 -8.658 -2.486 2.364 1.00 0.36 O ATOM 999 CB VAL A 65 -8.103 0.496 1.874 1.00 0.40 C ATOM 1000 CG1 VAL A 65 -9.572 0.939 1.939 1.00 0.45 C ATOM 1001 CG2 VAL A 65 -7.198 1.728 1.875 1.00 0.70 C ATOM 0 H VAL A 65 -6.270 -1.464 2.029 1.00 0.30 H new ATOM 0 HA VAL A 65 -7.862 0.171 4.020 1.00 0.32 H new ATOM 0 HB VAL A 65 -7.939 -0.075 0.960 1.00 0.40 H new ATOM 0 HG11 VAL A 65 -9.802 1.563 1.076 1.00 0.45 H new ATOM 0 HG12 VAL A 65 -10.217 0.061 1.934 1.00 0.45 H new ATOM 0 HG13 VAL A 65 -9.740 1.508 2.853 1.00 0.45 H new ATOM 0 HG21 VAL A 65 -7.433 2.352 1.013 1.00 0.70 H new ATOM 0 HG22 VAL A 65 -7.360 2.297 2.790 1.00 0.70 H new ATOM 0 HG23 VAL A 65 -6.156 1.414 1.822 1.00 0.70 H new ATOM 1011 N ASP A 66 -9.655 -1.536 4.069 1.00 0.35 N ATOM 1012 CA ASP A 66 -10.630 -2.655 4.163 1.00 0.39 C ATOM 1013 C ASP A 66 -11.853 -2.334 3.305 1.00 0.40 C ATOM 1014 O ASP A 66 -12.788 -1.702 3.754 1.00 0.44 O ATOM 1015 CB ASP A 66 -11.007 -2.736 5.642 1.00 0.47 C ATOM 1016 CG ASP A 66 -10.275 -3.912 6.291 1.00 0.67 C ATOM 1017 OD1 ASP A 66 -10.099 -4.917 5.622 1.00 1.38 O ATOM 1018 OD2 ASP A 66 -9.901 -3.787 7.446 1.00 1.30 O ATOM 0 H ASP A 66 -9.774 -0.792 4.757 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.223 -3.601 3.806 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -10.744 -1.807 6.147 1.00 0.47 H new ATOM 0 HB3 ASP A 66 -12.085 -2.862 5.747 1.00 0.47 H new ATOM 1023 N ALA A 67 -11.849 -2.755 2.068 1.00 0.40 N ATOM 1024 CA ALA A 67 -13.008 -2.470 1.169 1.00 0.46 C ATOM 1025 C ALA A 67 -14.329 -2.802 1.869 1.00 0.51 C ATOM 1026 O ALA A 67 -15.362 -2.236 1.572 1.00 0.57 O ATOM 1027 CB ALA A 67 -12.801 -3.377 -0.043 1.00 0.51 C ATOM 0 H ALA A 67 -11.091 -3.286 1.639 1.00 0.40 H new ATOM 0 HA ALA A 67 -13.059 -1.418 0.890 1.00 0.46 H new ATOM 0 HB1 ALA A 67 -13.614 -3.227 -0.753 1.00 0.51 H new ATOM 0 HB2 ALA A 67 -11.852 -3.134 -0.521 1.00 0.51 H new ATOM 0 HB3 ALA A 67 -12.789 -4.418 0.280 1.00 0.51 H new ATOM 1033 N THR A 68 -14.301 -3.710 2.802 1.00 0.53 N ATOM 1034 CA THR A 68 -15.552 -4.069 3.526 1.00 0.62 C ATOM 1035 C THR A 68 -15.987 -2.907 4.420 1.00 0.64 C ATOM 1036 O THR A 68 -17.135 -2.799 4.804 1.00 0.86 O ATOM 1037 CB THR A 68 -15.184 -5.282 4.377 1.00 0.66 C ATOM 1038 OG1 THR A 68 -14.219 -4.900 5.349 1.00 1.29 O ATOM 1039 CG2 THR A 68 -14.605 -6.374 3.483 1.00 1.35 C ATOM 0 H THR A 68 -13.467 -4.219 3.095 1.00 0.53 H new ATOM 0 HA THR A 68 -16.377 -4.283 2.847 1.00 0.62 H new ATOM 0 HB THR A 68 -16.075 -5.661 4.878 1.00 0.66 H new ATOM 0 HG1 THR A 68 -13.982 -5.677 5.898 1.00 1.29 H new ATOM 0 HG21 THR A 68 -14.342 -7.240 4.090 1.00 1.35 H new ATOM 0 HG22 THR A 68 -15.345 -6.665 2.738 1.00 1.35 H new ATOM 0 HG23 THR A 68 -13.713 -5.999 2.981 1.00 1.35 H new ATOM 1047 N GLU A 69 -15.073 -2.038 4.761 1.00 0.57 N ATOM 1048 CA GLU A 69 -15.422 -0.887 5.634 1.00 0.61 C ATOM 1049 C GLU A 69 -15.437 0.411 4.825 1.00 0.57 C ATOM 1050 O GLU A 69 -16.339 1.216 4.949 1.00 0.66 O ATOM 1051 CB GLU A 69 -14.318 -0.849 6.691 1.00 0.63 C ATOM 1052 CG GLU A 69 -14.827 -0.112 7.933 1.00 0.83 C ATOM 1053 CD GLU A 69 -14.612 1.392 7.757 1.00 1.50 C ATOM 1054 OE1 GLU A 69 -13.464 1.802 7.689 1.00 2.10 O ATOM 1055 OE2 GLU A 69 -15.596 2.109 7.694 1.00 2.22 O ATOM 0 H GLU A 69 -14.096 -2.079 4.470 1.00 0.57 H new ATOM 0 HA GLU A 69 -16.412 -0.990 6.078 1.00 0.61 H new ATOM 0 HB2 GLU A 69 -14.017 -1.863 6.954 1.00 0.63 H new ATOM 0 HB3 GLU A 69 -13.436 -0.347 6.293 1.00 0.63 H new ATOM 0 HG2 GLU A 69 -15.885 -0.323 8.086 1.00 0.83 H new ATOM 0 HG3 GLU A 69 -14.300 -0.464 8.820 1.00 0.83 H new ATOM 1062 N GLU A 70 -14.447 0.631 4.000 1.00 0.52 N ATOM 1063 CA GLU A 70 -14.423 1.889 3.201 1.00 0.57 C ATOM 1064 C GLU A 70 -14.217 1.584 1.714 1.00 0.72 C ATOM 1065 O GLU A 70 -13.299 2.080 1.092 1.00 1.34 O ATOM 1066 CB GLU A 70 -13.245 2.684 3.762 1.00 0.71 C ATOM 1067 CG GLU A 70 -11.941 1.927 3.505 1.00 1.05 C ATOM 1068 CD GLU A 70 -11.355 1.449 4.836 1.00 1.37 C ATOM 1069 OE1 GLU A 70 -12.114 1.318 5.782 1.00 1.97 O ATOM 1070 OE2 GLU A 70 -10.158 1.222 4.886 1.00 1.89 O ATOM 0 H GLU A 70 -13.661 -0.001 3.846 1.00 0.52 H new ATOM 0 HA GLU A 70 -15.361 2.440 3.272 1.00 0.57 H new ATOM 0 HB2 GLU A 70 -13.203 3.668 3.295 1.00 0.71 H new ATOM 0 HB3 GLU A 70 -13.379 2.844 4.832 1.00 0.71 H new ATOM 0 HG2 GLU A 70 -12.126 1.075 2.850 1.00 1.05 H new ATOM 0 HG3 GLU A 70 -11.228 2.573 2.993 1.00 1.05 H new ATOM 1077 N SER A 71 -15.068 0.778 1.137 1.00 0.55 N ATOM 1078 CA SER A 71 -14.922 0.455 -0.311 1.00 0.66 C ATOM 1079 C SER A 71 -15.189 1.703 -1.162 1.00 0.70 C ATOM 1080 O SER A 71 -14.878 1.740 -2.336 1.00 0.94 O ATOM 1081 CB SER A 71 -15.971 -0.628 -0.583 1.00 0.79 C ATOM 1082 OG SER A 71 -16.494 -0.474 -1.898 1.00 1.48 O ATOM 0 H SER A 71 -15.856 0.330 1.605 1.00 0.55 H new ATOM 0 HA SER A 71 -13.917 0.115 -0.562 1.00 0.66 H new ATOM 0 HB2 SER A 71 -15.524 -1.616 -0.473 1.00 0.79 H new ATOM 0 HB3 SER A 71 -16.776 -0.559 0.149 1.00 0.79 H new ATOM 0 HG SER A 71 -17.163 -1.170 -2.067 1.00 1.48 H new ATOM 1088 N ASP A 72 -15.764 2.727 -0.584 1.00 0.67 N ATOM 1089 CA ASP A 72 -16.049 3.966 -1.367 1.00 0.71 C ATOM 1090 C ASP A 72 -14.798 4.414 -2.126 1.00 0.68 C ATOM 1091 O ASP A 72 -14.867 4.830 -3.266 1.00 0.77 O ATOM 1092 CB ASP A 72 -16.450 5.010 -0.325 1.00 0.78 C ATOM 1093 CG ASP A 72 -17.899 4.769 0.103 1.00 1.08 C ATOM 1094 OD1 ASP A 72 -18.183 3.682 0.580 1.00 1.57 O ATOM 1095 OD2 ASP A 72 -18.700 5.675 -0.052 1.00 1.83 O ATOM 0 H ASP A 72 -16.048 2.758 0.395 1.00 0.67 H new ATOM 0 HA ASP A 72 -16.831 3.813 -2.111 1.00 0.71 H new ATOM 0 HB2 ASP A 72 -15.789 4.950 0.540 1.00 0.78 H new ATOM 0 HB3 ASP A 72 -16.343 6.013 -0.739 1.00 0.78 H new ATOM 1100 N LEU A 73 -13.658 4.322 -1.505 1.00 0.63 N ATOM 1101 CA LEU A 73 -12.401 4.732 -2.192 1.00 0.68 C ATOM 1102 C LEU A 73 -12.107 3.773 -3.345 1.00 0.60 C ATOM 1103 O LEU A 73 -11.685 4.173 -4.411 1.00 0.64 O ATOM 1104 CB LEU A 73 -11.315 4.636 -1.122 1.00 0.83 C ATOM 1105 CG LEU A 73 -11.672 5.557 0.046 1.00 0.79 C ATOM 1106 CD1 LEU A 73 -11.176 4.938 1.354 1.00 1.22 C ATOM 1107 CD2 LEU A 73 -11.006 6.919 -0.160 1.00 0.97 C ATOM 0 H LEU A 73 -13.540 3.981 -0.551 1.00 0.63 H new ATOM 0 HA LEU A 73 -12.463 5.735 -2.615 1.00 0.68 H new ATOM 0 HB2 LEU A 73 -11.222 3.607 -0.774 1.00 0.83 H new ATOM 0 HB3 LEU A 73 -10.350 4.919 -1.541 1.00 0.83 H new ATOM 0 HG LEU A 73 -12.754 5.684 0.093 1.00 0.79 H new ATOM 0 HD11 LEU A 73 -11.430 5.594 2.186 1.00 1.22 H new ATOM 0 HD12 LEU A 73 -11.649 3.967 1.500 1.00 1.22 H new ATOM 0 HD13 LEU A 73 -10.094 4.811 1.309 1.00 1.22 H new ATOM 0 HD21 LEU A 73 -11.259 7.577 0.671 1.00 0.97 H new ATOM 0 HD22 LEU A 73 -9.924 6.792 -0.206 1.00 0.97 H new ATOM 0 HD23 LEU A 73 -11.359 7.360 -1.092 1.00 0.97 H new ATOM 1119 N ALA A 74 -12.337 2.508 -3.134 1.00 0.57 N ATOM 1120 CA ALA A 74 -12.082 1.513 -4.212 1.00 0.56 C ATOM 1121 C ALA A 74 -13.137 1.659 -5.311 1.00 0.59 C ATOM 1122 O ALA A 74 -12.890 1.371 -6.466 1.00 0.65 O ATOM 1123 CB ALA A 74 -12.203 0.150 -3.528 1.00 0.60 C ATOM 0 H ALA A 74 -12.691 2.119 -2.260 1.00 0.57 H new ATOM 0 HA ALA A 74 -11.107 1.645 -4.682 1.00 0.56 H new ATOM 0 HB1 ALA A 74 -12.028 -0.640 -4.258 1.00 0.60 H new ATOM 0 HB2 ALA A 74 -11.464 0.077 -2.730 1.00 0.60 H new ATOM 0 HB3 ALA A 74 -13.203 0.041 -3.108 1.00 0.60 H new ATOM 1129 N GLN A 75 -14.310 2.111 -4.960 1.00 0.64 N ATOM 1130 CA GLN A 75 -15.380 2.283 -5.982 1.00 0.76 C ATOM 1131 C GLN A 75 -15.129 3.558 -6.790 1.00 0.78 C ATOM 1132 O GLN A 75 -15.528 3.671 -7.932 1.00 0.86 O ATOM 1133 CB GLN A 75 -16.676 2.401 -5.178 1.00 0.87 C ATOM 1134 CG GLN A 75 -17.872 2.143 -6.096 1.00 1.42 C ATOM 1135 CD GLN A 75 -19.146 2.044 -5.254 1.00 1.83 C ATOM 1136 OE1 GLN A 75 -19.148 2.395 -4.091 1.00 2.35 O ATOM 1137 NE2 GLN A 75 -20.237 1.578 -5.797 1.00 2.40 N ATOM 0 H GLN A 75 -14.573 2.369 -4.009 1.00 0.64 H new ATOM 0 HA GLN A 75 -15.416 1.457 -6.692 1.00 0.76 H new ATOM 0 HB2 GLN A 75 -16.673 1.684 -4.357 1.00 0.87 H new ATOM 0 HB3 GLN A 75 -16.752 3.394 -4.735 1.00 0.87 H new ATOM 0 HG2 GLN A 75 -17.966 2.948 -6.824 1.00 1.42 H new ATOM 0 HG3 GLN A 75 -17.721 1.221 -6.658 1.00 1.42 H new ATOM 0 HE21 GLN A 75 -20.235 1.283 -6.774 1.00 2.40 H new ATOM 0 HE22 GLN A 75 -21.092 1.508 -5.245 1.00 2.40 H new ATOM 1146 N GLN A 76 -14.468 4.518 -6.204 1.00 0.76 N ATOM 1147 CA GLN A 76 -14.187 5.786 -6.936 1.00 0.84 C ATOM 1148 C GLN A 76 -13.035 5.578 -7.920 1.00 0.83 C ATOM 1149 O GLN A 76 -12.982 6.191 -8.968 1.00 0.94 O ATOM 1150 CB GLN A 76 -13.794 6.789 -5.852 1.00 0.89 C ATOM 1151 CG GLN A 76 -15.034 7.557 -5.393 1.00 1.14 C ATOM 1152 CD GLN A 76 -14.631 8.974 -4.977 1.00 1.49 C ATOM 1153 OE1 GLN A 76 -14.266 9.782 -5.808 1.00 2.20 O ATOM 1154 NE2 GLN A 76 -14.683 9.310 -3.718 1.00 1.97 N ATOM 0 H GLN A 76 -14.110 4.480 -5.250 1.00 0.76 H new ATOM 0 HA GLN A 76 -15.043 6.130 -7.516 1.00 0.84 H new ATOM 0 HB2 GLN A 76 -13.342 6.269 -5.007 1.00 0.89 H new ATOM 0 HB3 GLN A 76 -13.046 7.482 -6.237 1.00 0.89 H new ATOM 0 HG2 GLN A 76 -15.768 7.598 -6.197 1.00 1.14 H new ATOM 0 HG3 GLN A 76 -15.506 7.041 -4.557 1.00 1.14 H new ATOM 0 HE21 GLN A 76 -14.990 8.631 -3.021 1.00 1.97 H new ATOM 0 HE22 GLN A 76 -14.417 10.252 -3.430 1.00 1.97 H new ATOM 1163 N TYR A 77 -12.114 4.717 -7.590 1.00 0.74 N ATOM 1164 CA TYR A 77 -10.965 4.466 -8.506 1.00 0.81 C ATOM 1165 C TYR A 77 -11.347 3.421 -9.559 1.00 0.83 C ATOM 1166 O TYR A 77 -10.719 3.312 -10.594 1.00 1.00 O ATOM 1167 CB TYR A 77 -9.848 3.937 -7.606 1.00 0.80 C ATOM 1168 CG TYR A 77 -8.918 5.068 -7.238 1.00 0.81 C ATOM 1169 CD1 TYR A 77 -9.370 6.105 -6.416 1.00 1.18 C ATOM 1170 CD2 TYR A 77 -7.604 5.079 -7.722 1.00 1.42 C ATOM 1171 CE1 TYR A 77 -8.509 7.154 -6.074 1.00 1.19 C ATOM 1172 CE2 TYR A 77 -6.742 6.128 -7.380 1.00 1.56 C ATOM 1173 CZ TYR A 77 -7.194 7.166 -6.557 1.00 1.05 C ATOM 1174 OH TYR A 77 -6.345 8.200 -6.220 1.00 1.22 O ATOM 0 H TYR A 77 -12.106 4.176 -6.726 1.00 0.74 H new ATOM 0 HA TYR A 77 -10.663 5.364 -9.045 1.00 0.81 H new ATOM 0 HB2 TYR A 77 -10.272 3.493 -6.705 1.00 0.80 H new ATOM 0 HB3 TYR A 77 -9.295 3.150 -8.119 1.00 0.80 H new ATOM 0 HD1 TYR A 77 -10.384 6.096 -6.045 1.00 1.18 H new ATOM 0 HD2 TYR A 77 -7.256 4.279 -8.359 1.00 1.42 H new ATOM 0 HE1 TYR A 77 -8.858 7.954 -5.438 1.00 1.19 H new ATOM 0 HE2 TYR A 77 -5.728 6.136 -7.751 1.00 1.56 H new ATOM 0 HH TYR A 77 -5.506 7.834 -5.870 1.00 1.22 H new ATOM 1184 N GLY A 78 -12.372 2.651 -9.304 1.00 0.78 N ATOM 1185 CA GLY A 78 -12.789 1.617 -10.291 1.00 0.87 C ATOM 1186 C GLY A 78 -11.816 0.438 -10.235 1.00 0.88 C ATOM 1187 O GLY A 78 -11.272 0.021 -11.237 1.00 1.52 O ATOM 0 H GLY A 78 -12.937 2.695 -8.456 1.00 0.78 H new ATOM 0 HA2 GLY A 78 -13.802 1.278 -10.073 1.00 0.87 H new ATOM 0 HA3 GLY A 78 -12.805 2.042 -11.295 1.00 0.87 H new ATOM 1191 N VAL A 79 -11.594 -0.104 -9.068 1.00 0.80 N ATOM 1192 CA VAL A 79 -10.657 -1.257 -8.951 1.00 0.79 C ATOM 1193 C VAL A 79 -11.190 -2.451 -9.747 1.00 1.13 C ATOM 1194 O VAL A 79 -12.338 -2.483 -10.141 1.00 1.54 O ATOM 1195 CB VAL A 79 -10.614 -1.584 -7.458 1.00 0.76 C ATOM 1196 CG1 VAL A 79 -10.135 -0.357 -6.680 1.00 0.72 C ATOM 1197 CG2 VAL A 79 -12.015 -1.974 -6.982 1.00 1.30 C ATOM 0 H VAL A 79 -12.020 0.201 -8.193 1.00 0.80 H new ATOM 0 HA VAL A 79 -9.667 -1.027 -9.345 1.00 0.79 H new ATOM 0 HB VAL A 79 -9.927 -2.413 -7.287 1.00 0.76 H new ATOM 0 HG11 VAL A 79 -10.104 -0.590 -5.616 1.00 0.72 H new ATOM 0 HG12 VAL A 79 -9.137 -0.078 -7.019 1.00 0.72 H new ATOM 0 HG13 VAL A 79 -10.821 0.472 -6.850 1.00 0.72 H new ATOM 0 HG21 VAL A 79 -11.986 -2.207 -5.918 1.00 1.30 H new ATOM 0 HG22 VAL A 79 -12.701 -1.145 -7.153 1.00 1.30 H new ATOM 0 HG23 VAL A 79 -12.357 -2.848 -7.536 1.00 1.30 H new ATOM 1207 N ARG A 80 -10.365 -3.432 -9.988 1.00 1.27 N ATOM 1208 CA ARG A 80 -10.826 -4.622 -10.758 1.00 1.72 C ATOM 1209 C ARG A 80 -10.903 -5.859 -9.853 1.00 1.38 C ATOM 1210 O ARG A 80 -11.411 -6.890 -10.245 1.00 1.87 O ATOM 1211 CB ARG A 80 -9.772 -4.817 -11.849 1.00 2.38 C ATOM 1212 CG ARG A 80 -10.141 -3.970 -13.068 1.00 2.85 C ATOM 1213 CD ARG A 80 -9.117 -4.202 -14.181 1.00 3.49 C ATOM 1214 NE ARG A 80 -8.963 -2.877 -14.842 1.00 4.06 N ATOM 1215 CZ ARG A 80 -7.778 -2.347 -14.976 1.00 4.70 C ATOM 1216 NH1 ARG A 80 -6.912 -2.433 -14.004 1.00 5.09 N ATOM 1217 NH2 ARG A 80 -7.459 -1.732 -16.083 1.00 5.25 N ATOM 0 H ARG A 80 -9.391 -3.461 -9.685 1.00 1.27 H new ATOM 0 HA ARG A 80 -11.824 -4.480 -11.172 1.00 1.72 H new ATOM 0 HB2 ARG A 80 -8.789 -4.529 -11.476 1.00 2.38 H new ATOM 0 HB3 ARG A 80 -9.712 -5.869 -12.128 1.00 2.38 H new ATOM 0 HG2 ARG A 80 -11.139 -4.233 -13.418 1.00 2.85 H new ATOM 0 HG3 ARG A 80 -10.166 -2.915 -12.797 1.00 2.85 H new ATOM 0 HD2 ARG A 80 -8.168 -4.555 -13.777 1.00 3.49 H new ATOM 0 HD3 ARG A 80 -9.464 -4.957 -14.886 1.00 3.49 H new ATOM 0 HE ARG A 80 -9.784 -2.383 -15.190 1.00 4.06 H new ATOM 0 HH11 ARG A 80 -7.161 -2.914 -13.140 1.00 5.09 H new ATOM 0 HH12 ARG A 80 -5.986 -2.019 -14.108 1.00 5.09 H new ATOM 0 HH21 ARG A 80 -8.136 -1.666 -16.843 1.00 5.25 H new ATOM 0 HH22 ARG A 80 -6.533 -1.318 -16.188 1.00 5.25 H new ATOM 1231 N GLY A 81 -10.406 -5.769 -8.648 1.00 0.87 N ATOM 1232 CA GLY A 81 -10.462 -6.946 -7.735 1.00 0.81 C ATOM 1233 C GLY A 81 -9.343 -6.843 -6.697 1.00 0.74 C ATOM 1234 O GLY A 81 -8.273 -6.338 -6.970 1.00 1.17 O ATOM 0 H GLY A 81 -9.966 -4.935 -8.258 1.00 0.87 H new ATOM 0 HA2 GLY A 81 -11.431 -6.987 -7.237 1.00 0.81 H new ATOM 0 HA3 GLY A 81 -10.358 -7.868 -8.307 1.00 0.81 H new ATOM 1238 N TYR A 82 -9.582 -7.320 -5.506 1.00 0.61 N ATOM 1239 CA TYR A 82 -8.532 -7.252 -4.448 1.00 0.52 C ATOM 1240 C TYR A 82 -7.557 -8.432 -4.603 1.00 0.54 C ATOM 1241 O TYR A 82 -7.923 -9.451 -5.155 1.00 0.61 O ATOM 1242 CB TYR A 82 -9.292 -7.357 -3.117 1.00 0.59 C ATOM 1243 CG TYR A 82 -10.401 -6.326 -3.061 1.00 0.61 C ATOM 1244 CD1 TYR A 82 -10.204 -5.044 -3.592 1.00 0.64 C ATOM 1245 CD2 TYR A 82 -11.627 -6.657 -2.473 1.00 0.97 C ATOM 1246 CE1 TYR A 82 -11.233 -4.096 -3.535 1.00 0.68 C ATOM 1247 CE2 TYR A 82 -12.657 -5.709 -2.416 1.00 1.04 C ATOM 1248 CZ TYR A 82 -12.459 -4.430 -2.947 1.00 0.75 C ATOM 1249 OH TYR A 82 -13.475 -3.496 -2.891 1.00 0.85 O ATOM 0 H TYR A 82 -10.459 -7.754 -5.219 1.00 0.61 H new ATOM 0 HA TYR A 82 -7.945 -6.336 -4.507 1.00 0.52 H new ATOM 0 HB2 TYR A 82 -9.711 -8.357 -3.008 1.00 0.59 H new ATOM 0 HB3 TYR A 82 -8.604 -7.207 -2.285 1.00 0.59 H new ATOM 0 HD1 TYR A 82 -9.258 -4.787 -4.045 1.00 0.64 H new ATOM 0 HD2 TYR A 82 -11.779 -7.644 -2.063 1.00 0.97 H new ATOM 0 HE1 TYR A 82 -11.081 -3.108 -3.944 1.00 0.68 H new ATOM 0 HE2 TYR A 82 -13.603 -5.965 -1.963 1.00 1.04 H new ATOM 0 HH TYR A 82 -14.307 -3.934 -2.617 1.00 0.85 H new ATOM 1259 N PRO A 83 -6.339 -8.272 -4.118 1.00 0.54 N ATOM 1260 CA PRO A 83 -5.900 -7.024 -3.443 1.00 0.51 C ATOM 1261 C PRO A 83 -5.358 -6.021 -4.469 1.00 0.51 C ATOM 1262 O PRO A 83 -4.505 -6.343 -5.271 1.00 0.63 O ATOM 1263 CB PRO A 83 -4.777 -7.500 -2.530 1.00 0.59 C ATOM 1264 CG PRO A 83 -4.237 -8.749 -3.168 1.00 0.66 C ATOM 1265 CD PRO A 83 -5.262 -9.263 -4.154 1.00 0.64 C ATOM 0 HA PRO A 83 -6.706 -6.518 -2.911 1.00 0.51 H new ATOM 0 HB2 PRO A 83 -4.000 -6.741 -2.436 1.00 0.59 H new ATOM 0 HB3 PRO A 83 -5.148 -7.702 -1.525 1.00 0.59 H new ATOM 0 HG2 PRO A 83 -3.295 -8.539 -3.675 1.00 0.66 H new ATOM 0 HG3 PRO A 83 -4.029 -9.503 -2.409 1.00 0.66 H new ATOM 0 HD2 PRO A 83 -4.839 -9.353 -5.155 1.00 0.64 H new ATOM 0 HD3 PRO A 83 -5.623 -10.252 -3.871 1.00 0.64 H new ATOM 1273 N THR A 84 -5.835 -4.805 -4.443 1.00 0.45 N ATOM 1274 CA THR A 84 -5.327 -3.789 -5.413 1.00 0.45 C ATOM 1275 C THR A 84 -4.300 -2.887 -4.722 1.00 0.43 C ATOM 1276 O THR A 84 -4.647 -2.016 -3.950 1.00 0.52 O ATOM 1277 CB THR A 84 -6.553 -2.977 -5.838 1.00 0.48 C ATOM 1278 OG1 THR A 84 -7.716 -3.792 -5.767 1.00 0.67 O ATOM 1279 CG2 THR A 84 -6.364 -2.481 -7.273 1.00 0.56 C ATOM 0 H THR A 84 -6.550 -4.472 -3.797 1.00 0.45 H new ATOM 0 HA THR A 84 -4.836 -4.247 -6.272 1.00 0.45 H new ATOM 0 HB THR A 84 -6.670 -2.124 -5.170 1.00 0.48 H new ATOM 0 HG1 THR A 84 -7.579 -4.604 -6.298 1.00 0.67 H new ATOM 0 HG21 THR A 84 -7.237 -1.903 -7.576 1.00 0.56 H new ATOM 0 HG22 THR A 84 -5.475 -1.852 -7.326 1.00 0.56 H new ATOM 0 HG23 THR A 84 -6.245 -3.335 -7.940 1.00 0.56 H new ATOM 1287 N ILE A 85 -3.038 -3.094 -4.986 1.00 0.41 N ATOM 1288 CA ILE A 85 -1.994 -2.253 -4.332 1.00 0.41 C ATOM 1289 C ILE A 85 -1.545 -1.126 -5.266 1.00 0.41 C ATOM 1290 O ILE A 85 -1.146 -1.355 -6.390 1.00 0.54 O ATOM 1291 CB ILE A 85 -0.835 -3.210 -4.054 1.00 0.50 C ATOM 1292 CG1 ILE A 85 -1.300 -4.312 -3.099 1.00 0.89 C ATOM 1293 CG2 ILE A 85 0.321 -2.438 -3.414 1.00 0.80 C ATOM 1294 CD1 ILE A 85 -1.972 -5.430 -3.901 1.00 1.27 C ATOM 0 H ILE A 85 -2.685 -3.807 -5.624 1.00 0.41 H new ATOM 0 HA ILE A 85 -2.363 -1.777 -3.423 1.00 0.41 H new ATOM 0 HB ILE A 85 -0.501 -3.657 -4.990 1.00 0.50 H new ATOM 0 HG12 ILE A 85 -0.451 -4.709 -2.543 1.00 0.89 H new ATOM 0 HG13 ILE A 85 -1.998 -3.904 -2.368 1.00 0.89 H new ATOM 0 HG21 ILE A 85 1.148 -3.120 -3.215 1.00 0.80 H new ATOM 0 HG22 ILE A 85 0.653 -1.652 -4.092 1.00 0.80 H new ATOM 0 HG23 ILE A 85 -0.014 -1.991 -2.478 1.00 0.80 H new ATOM 0 HD11 ILE A 85 -2.304 -6.216 -3.222 1.00 1.27 H new ATOM 0 HD12 ILE A 85 -2.831 -5.027 -4.437 1.00 1.27 H new ATOM 0 HD13 ILE A 85 -1.260 -5.844 -4.615 1.00 1.27 H new ATOM 1306 N LYS A 86 -1.599 0.092 -4.800 1.00 0.37 N ATOM 1307 CA LYS A 86 -1.169 1.241 -5.648 1.00 0.40 C ATOM 1308 C LYS A 86 -0.149 2.091 -4.883 1.00 0.38 C ATOM 1309 O LYS A 86 -0.172 2.158 -3.670 1.00 0.49 O ATOM 1310 CB LYS A 86 -2.447 2.038 -5.915 1.00 0.48 C ATOM 1311 CG LYS A 86 -2.764 2.010 -7.412 1.00 0.94 C ATOM 1312 CD LYS A 86 -3.990 1.125 -7.657 1.00 1.03 C ATOM 1313 CE LYS A 86 -5.262 1.915 -7.346 1.00 1.37 C ATOM 1314 NZ LYS A 86 -6.321 0.880 -7.169 1.00 1.73 N ATOM 0 H LYS A 86 -1.923 0.342 -3.866 1.00 0.37 H new ATOM 0 HA LYS A 86 -0.693 0.924 -6.576 1.00 0.40 H new ATOM 0 HB2 LYS A 86 -3.277 1.615 -5.349 1.00 0.48 H new ATOM 0 HB3 LYS A 86 -2.323 3.067 -5.578 1.00 0.48 H new ATOM 0 HG2 LYS A 86 -2.953 3.021 -7.774 1.00 0.94 H new ATOM 0 HG3 LYS A 86 -1.909 1.627 -7.969 1.00 0.94 H new ATOM 0 HD2 LYS A 86 -4.005 0.785 -8.693 1.00 1.03 H new ATOM 0 HD3 LYS A 86 -3.940 0.235 -7.030 1.00 1.03 H new ATOM 0 HE2 LYS A 86 -5.143 2.517 -6.445 1.00 1.37 H new ATOM 0 HE3 LYS A 86 -5.510 2.600 -8.157 1.00 1.37 H new ATOM 0 HZ1 LYS A 86 -7.227 1.343 -6.952 1.00 1.73 H new ATOM 0 HZ2 LYS A 86 -6.416 0.327 -8.045 1.00 1.73 H new ATOM 0 HZ3 LYS A 86 -6.060 0.247 -6.386 1.00 1.73 H new ATOM 1328 N PHE A 87 0.749 2.737 -5.576 1.00 0.37 N ATOM 1329 CA PHE A 87 1.766 3.571 -4.873 1.00 0.36 C ATOM 1330 C PHE A 87 1.395 5.051 -4.952 1.00 0.33 C ATOM 1331 O PHE A 87 1.279 5.618 -6.020 1.00 0.37 O ATOM 1332 CB PHE A 87 3.080 3.306 -5.609 1.00 0.42 C ATOM 1333 CG PHE A 87 4.189 4.118 -4.977 1.00 0.46 C ATOM 1334 CD1 PHE A 87 4.291 4.195 -3.582 1.00 0.44 C ATOM 1335 CD2 PHE A 87 5.114 4.797 -5.783 1.00 0.81 C ATOM 1336 CE1 PHE A 87 5.315 4.947 -2.994 1.00 0.46 C ATOM 1337 CE2 PHE A 87 6.138 5.549 -5.194 1.00 0.97 C ATOM 1338 CZ PHE A 87 6.247 5.622 -3.812 1.00 0.72 C ATOM 0 H PHE A 87 0.823 2.724 -6.593 1.00 0.37 H new ATOM 0 HA PHE A 87 1.835 3.322 -3.814 1.00 0.36 H new ATOM 0 HB2 PHE A 87 3.324 2.244 -5.567 1.00 0.42 H new ATOM 0 HB3 PHE A 87 2.978 3.569 -6.662 1.00 0.42 H new ATOM 0 HD1 PHE A 87 3.579 3.674 -2.959 1.00 0.44 H new ATOM 0 HD2 PHE A 87 5.037 4.740 -6.859 1.00 0.81 H new ATOM 0 HE1 PHE A 87 5.392 5.011 -1.919 1.00 0.46 H new ATOM 0 HE2 PHE A 87 6.846 6.074 -5.818 1.00 0.97 H new ATOM 0 HZ PHE A 87 7.045 6.195 -3.363 1.00 0.72 H new ATOM 1348 N PHE A 88 1.208 5.681 -3.824 1.00 0.33 N ATOM 1349 CA PHE A 88 0.846 7.125 -3.829 1.00 0.35 C ATOM 1350 C PHE A 88 1.990 7.954 -3.237 1.00 0.42 C ATOM 1351 O PHE A 88 2.339 7.806 -2.083 1.00 0.61 O ATOM 1352 CB PHE A 88 -0.397 7.209 -2.950 1.00 0.39 C ATOM 1353 CG PHE A 88 -1.593 6.699 -3.720 1.00 0.42 C ATOM 1354 CD1 PHE A 88 -2.130 7.459 -4.765 1.00 0.54 C ATOM 1355 CD2 PHE A 88 -2.163 5.464 -3.388 1.00 0.63 C ATOM 1356 CE1 PHE A 88 -3.237 6.984 -5.480 1.00 0.62 C ATOM 1357 CE2 PHE A 88 -3.269 4.989 -4.102 1.00 0.73 C ATOM 1358 CZ PHE A 88 -3.806 5.749 -5.148 1.00 0.62 C ATOM 0 H PHE A 88 1.291 5.257 -2.900 1.00 0.33 H new ATOM 0 HA PHE A 88 0.665 7.513 -4.831 1.00 0.35 H new ATOM 0 HB2 PHE A 88 -0.256 6.619 -2.044 1.00 0.39 H new ATOM 0 HB3 PHE A 88 -0.565 8.239 -2.637 1.00 0.39 H new ATOM 0 HD1 PHE A 88 -1.691 8.412 -5.020 1.00 0.54 H new ATOM 0 HD2 PHE A 88 -1.749 4.878 -2.581 1.00 0.63 H new ATOM 0 HE1 PHE A 88 -3.651 7.570 -6.287 1.00 0.62 H new ATOM 0 HE2 PHE A 88 -3.708 4.036 -3.846 1.00 0.73 H new ATOM 0 HZ PHE A 88 -4.659 5.382 -5.699 1.00 0.62 H new ATOM 1368 N ARG A 89 2.591 8.812 -4.020 1.00 0.47 N ATOM 1369 CA ARG A 89 3.722 9.625 -3.497 1.00 0.55 C ATOM 1370 C ARG A 89 3.337 11.106 -3.361 1.00 0.64 C ATOM 1371 O ARG A 89 3.070 11.786 -4.332 1.00 1.05 O ATOM 1372 CB ARG A 89 4.832 9.447 -4.531 1.00 0.73 C ATOM 1373 CG ARG A 89 4.413 10.062 -5.869 1.00 1.15 C ATOM 1374 CD ARG A 89 4.751 9.093 -7.004 1.00 1.42 C ATOM 1375 NE ARG A 89 4.402 9.825 -8.253 1.00 1.73 N ATOM 1376 CZ ARG A 89 5.139 10.824 -8.651 1.00 2.07 C ATOM 1377 NH1 ARG A 89 6.194 10.606 -9.386 1.00 2.56 N ATOM 1378 NH2 ARG A 89 4.820 12.044 -8.312 1.00 2.43 N ATOM 0 H ARG A 89 2.346 8.982 -4.995 1.00 0.47 H new ATOM 0 HA ARG A 89 4.023 9.305 -2.499 1.00 0.55 H new ATOM 0 HB2 ARG A 89 5.748 9.919 -4.177 1.00 0.73 H new ATOM 0 HB3 ARG A 89 5.050 8.387 -4.662 1.00 0.73 H new ATOM 0 HG2 ARG A 89 3.344 10.275 -5.865 1.00 1.15 H new ATOM 0 HG3 ARG A 89 4.927 11.011 -6.022 1.00 1.15 H new ATOM 0 HD2 ARG A 89 5.806 8.820 -6.988 1.00 1.42 H new ATOM 0 HD3 ARG A 89 4.181 8.168 -6.916 1.00 1.42 H new ATOM 0 HE ARG A 89 3.586 9.545 -8.797 1.00 1.73 H new ATOM 0 HH11 ARG A 89 6.443 9.653 -9.650 1.00 2.56 H new ATOM 0 HH12 ARG A 89 6.770 11.389 -9.697 1.00 2.56 H new ATOM 0 HH21 ARG A 89 3.995 12.214 -7.737 1.00 2.43 H new ATOM 0 HH22 ARG A 89 5.396 12.827 -8.623 1.00 2.43 H new ATOM 1392 N ASN A 90 3.336 11.606 -2.152 1.00 0.57 N ATOM 1393 CA ASN A 90 3.003 13.044 -1.905 1.00 0.68 C ATOM 1394 C ASN A 90 1.807 13.507 -2.745 1.00 0.69 C ATOM 1395 O ASN A 90 1.939 14.350 -3.610 1.00 0.98 O ATOM 1396 CB ASN A 90 4.264 13.803 -2.310 1.00 0.87 C ATOM 1397 CG ASN A 90 4.218 15.220 -1.730 1.00 1.10 C ATOM 1398 OD1 ASN A 90 4.795 15.482 -0.694 1.00 1.65 O ATOM 1399 ND2 ASN A 90 3.551 16.148 -2.360 1.00 1.74 N ATOM 0 H ASN A 90 3.555 11.071 -1.312 1.00 0.57 H new ATOM 0 HA ASN A 90 2.718 13.216 -0.867 1.00 0.68 H new ATOM 0 HB2 ASN A 90 5.148 13.279 -1.947 1.00 0.87 H new ATOM 0 HB3 ASN A 90 4.342 13.846 -3.396 1.00 0.87 H new ATOM 0 HD21 ASN A 90 3.514 17.095 -1.982 1.00 1.74 H new ATOM 0 HD22 ASN A 90 3.067 15.927 -3.230 1.00 1.74 H new ATOM 1406 N GLY A 91 0.638 12.978 -2.488 1.00 0.65 N ATOM 1407 CA GLY A 91 -0.568 13.405 -3.262 1.00 0.75 C ATOM 1408 C GLY A 91 -0.266 13.399 -4.764 1.00 0.79 C ATOM 1409 O GLY A 91 0.125 14.398 -5.334 1.00 1.19 O ATOM 0 H GLY A 91 0.466 12.269 -1.776 1.00 0.65 H new ATOM 0 HA2 GLY A 91 -1.401 12.735 -3.049 1.00 0.75 H new ATOM 0 HA3 GLY A 91 -0.874 14.403 -2.950 1.00 0.75 H new ATOM 1413 N ASP A 92 -0.453 12.282 -5.409 1.00 0.90 N ATOM 1414 CA ASP A 92 -0.186 12.214 -6.873 1.00 1.27 C ATOM 1415 C ASP A 92 -1.496 12.367 -7.647 1.00 1.14 C ATOM 1416 O ASP A 92 -1.620 13.200 -8.522 1.00 1.70 O ATOM 1417 CB ASP A 92 0.416 10.826 -7.101 1.00 1.93 C ATOM 1418 CG ASP A 92 1.196 10.808 -8.420 1.00 2.15 C ATOM 1419 OD1 ASP A 92 1.074 11.760 -9.175 1.00 2.41 O ATOM 1420 OD2 ASP A 92 1.904 9.842 -8.651 1.00 2.68 O ATOM 0 H ASP A 92 -0.779 11.413 -4.986 1.00 0.90 H new ATOM 0 HA ASP A 92 0.482 13.005 -7.213 1.00 1.27 H new ATOM 0 HB2 ASP A 92 1.077 10.566 -6.274 1.00 1.93 H new ATOM 0 HB3 ASP A 92 -0.375 10.076 -7.125 1.00 1.93 H new ATOM 1425 N THR A 93 -2.480 11.568 -7.326 1.00 0.96 N ATOM 1426 CA THR A 93 -3.790 11.665 -8.037 1.00 1.33 C ATOM 1427 C THR A 93 -3.571 11.626 -9.553 1.00 1.26 C ATOM 1428 O THR A 93 -2.461 11.480 -10.025 1.00 1.90 O ATOM 1429 CB THR A 93 -4.409 13.011 -7.620 1.00 1.74 C ATOM 1430 OG1 THR A 93 -3.610 13.639 -6.621 1.00 2.10 O ATOM 1431 CG2 THR A 93 -5.813 12.772 -7.064 1.00 1.92 C ATOM 0 H THR A 93 -2.433 10.852 -6.601 1.00 0.96 H new ATOM 0 HA THR A 93 -4.445 10.833 -7.780 1.00 1.33 H new ATOM 0 HB THR A 93 -4.458 13.661 -8.494 1.00 1.74 H new ATOM 0 HG1 THR A 93 -4.016 14.494 -6.368 1.00 2.10 H new ATOM 0 HG21 THR A 93 -6.254 13.724 -6.768 1.00 1.92 H new ATOM 0 HG22 THR A 93 -6.434 12.307 -7.830 1.00 1.92 H new ATOM 0 HG23 THR A 93 -5.754 12.114 -6.197 1.00 1.92 H new ATOM 1439 N ALA A 94 -4.626 11.753 -10.320 1.00 1.18 N ATOM 1440 CA ALA A 94 -4.509 11.724 -11.819 1.00 1.18 C ATOM 1441 C ALA A 94 -4.131 10.322 -12.300 1.00 1.14 C ATOM 1442 O ALA A 94 -4.834 9.712 -13.081 1.00 1.48 O ATOM 1443 CB ALA A 94 -3.415 12.736 -12.185 1.00 1.24 C ATOM 0 H ALA A 94 -5.576 11.877 -9.971 1.00 1.18 H new ATOM 0 HA ALA A 94 -5.456 11.979 -12.295 1.00 1.18 H new ATOM 0 HB1 ALA A 94 -3.286 12.757 -13.267 1.00 1.24 H new ATOM 0 HB2 ALA A 94 -3.704 13.727 -11.834 1.00 1.24 H new ATOM 0 HB3 ALA A 94 -2.477 12.444 -11.714 1.00 1.24 H new ATOM 1449 N SER A 95 -3.029 9.810 -11.842 1.00 1.20 N ATOM 1450 CA SER A 95 -2.603 8.446 -12.273 1.00 1.22 C ATOM 1451 C SER A 95 -1.422 7.962 -11.420 1.00 0.98 C ATOM 1452 O SER A 95 -0.280 8.206 -11.756 1.00 0.98 O ATOM 1453 CB SER A 95 -2.180 8.607 -13.732 1.00 1.48 C ATOM 1454 OG SER A 95 -2.561 7.452 -14.465 1.00 2.01 O ATOM 0 H SER A 95 -2.400 10.274 -11.186 1.00 1.20 H new ATOM 0 HA SER A 95 -3.399 7.710 -12.157 1.00 1.22 H new ATOM 0 HB2 SER A 95 -2.646 9.494 -14.161 1.00 1.48 H new ATOM 0 HB3 SER A 95 -1.102 8.752 -13.795 1.00 1.48 H new ATOM 0 HG SER A 95 -2.291 7.555 -15.402 1.00 2.01 H new ATOM 1460 N PRO A 96 -1.734 7.285 -10.340 1.00 0.87 N ATOM 1461 CA PRO A 96 -0.675 6.763 -9.441 1.00 0.72 C ATOM 1462 C PRO A 96 0.031 5.570 -10.088 1.00 0.65 C ATOM 1463 O PRO A 96 -0.354 5.104 -11.143 1.00 0.79 O ATOM 1464 CB PRO A 96 -1.440 6.331 -8.194 1.00 0.79 C ATOM 1465 CG PRO A 96 -2.831 6.052 -8.671 1.00 0.97 C ATOM 1466 CD PRO A 96 -3.083 6.942 -9.860 1.00 1.02 C ATOM 0 HA PRO A 96 0.102 7.496 -9.223 1.00 0.72 H new ATOM 0 HB2 PRO A 96 -0.992 5.445 -7.743 1.00 0.79 H new ATOM 0 HB3 PRO A 96 -1.432 7.114 -7.435 1.00 0.79 H new ATOM 0 HG2 PRO A 96 -2.940 5.003 -8.946 1.00 0.97 H new ATOM 0 HG3 PRO A 96 -3.555 6.251 -7.881 1.00 0.97 H new ATOM 0 HD2 PRO A 96 -3.661 6.428 -10.628 1.00 1.02 H new ATOM 0 HD3 PRO A 96 -3.646 7.833 -9.580 1.00 1.02 H new ATOM 1474 N LYS A 97 1.060 5.069 -9.464 1.00 0.55 N ATOM 1475 CA LYS A 97 1.789 3.905 -10.043 1.00 0.57 C ATOM 1476 C LYS A 97 1.109 2.597 -9.628 1.00 0.53 C ATOM 1477 O LYS A 97 0.258 2.580 -8.759 1.00 0.89 O ATOM 1478 CB LYS A 97 3.199 3.989 -9.460 1.00 0.68 C ATOM 1479 CG LYS A 97 4.175 4.441 -10.548 1.00 0.85 C ATOM 1480 CD LYS A 97 5.210 5.393 -9.943 1.00 1.63 C ATOM 1481 CE LYS A 97 6.327 5.644 -10.959 1.00 2.05 C ATOM 1482 NZ LYS A 97 6.086 7.025 -11.461 1.00 2.61 N ATOM 0 H LYS A 97 1.428 5.415 -8.578 1.00 0.55 H new ATOM 0 HA LYS A 97 1.800 3.924 -11.133 1.00 0.57 H new ATOM 0 HB2 LYS A 97 3.218 4.690 -8.626 1.00 0.68 H new ATOM 0 HB3 LYS A 97 3.500 3.018 -9.067 1.00 0.68 H new ATOM 0 HG2 LYS A 97 4.673 3.576 -10.986 1.00 0.85 H new ATOM 0 HG3 LYS A 97 3.634 4.939 -11.353 1.00 0.85 H new ATOM 0 HD2 LYS A 97 4.736 6.335 -9.667 1.00 1.63 H new ATOM 0 HD3 LYS A 97 5.624 4.965 -9.030 1.00 1.63 H new ATOM 0 HE2 LYS A 97 7.310 5.558 -10.495 1.00 2.05 H new ATOM 0 HE3 LYS A 97 6.293 4.917 -11.771 1.00 2.05 H new ATOM 0 HZ1 LYS A 97 6.813 7.271 -12.163 1.00 2.61 H new ATOM 0 HZ2 LYS A 97 5.146 7.074 -11.903 1.00 2.61 H new ATOM 0 HZ3 LYS A 97 6.131 7.696 -10.667 1.00 2.61 H new ATOM 1496 N GLU A 98 1.473 1.505 -10.241 1.00 0.51 N ATOM 1497 CA GLU A 98 0.842 0.202 -9.881 1.00 0.48 C ATOM 1498 C GLU A 98 1.913 -0.812 -9.467 1.00 0.45 C ATOM 1499 O GLU A 98 3.059 -0.718 -9.861 1.00 0.61 O ATOM 1500 CB GLU A 98 0.130 -0.257 -11.154 1.00 0.61 C ATOM 1501 CG GLU A 98 -0.642 -1.546 -10.872 1.00 1.33 C ATOM 1502 CD GLU A 98 -1.923 -1.216 -10.104 1.00 2.10 C ATOM 1503 OE1 GLU A 98 -2.605 -0.286 -10.500 1.00 2.61 O ATOM 1504 OE2 GLU A 98 -2.202 -1.901 -9.134 1.00 2.79 O ATOM 0 H GLU A 98 2.179 1.457 -10.975 1.00 0.51 H new ATOM 0 HA GLU A 98 0.155 0.295 -9.040 1.00 0.48 H new ATOM 0 HB2 GLU A 98 -0.552 0.519 -11.501 1.00 0.61 H new ATOM 0 HB3 GLU A 98 0.856 -0.423 -11.950 1.00 0.61 H new ATOM 0 HG2 GLU A 98 -0.886 -2.049 -11.808 1.00 1.33 H new ATOM 0 HG3 GLU A 98 -0.025 -2.233 -10.293 1.00 1.33 H new ATOM 1511 N TYR A 99 1.546 -1.781 -8.673 1.00 0.45 N ATOM 1512 CA TYR A 99 2.540 -2.802 -8.230 1.00 0.46 C ATOM 1513 C TYR A 99 2.539 -3.996 -9.189 1.00 0.53 C ATOM 1514 O TYR A 99 1.516 -4.374 -9.725 1.00 0.67 O ATOM 1515 CB TYR A 99 2.069 -3.230 -6.839 1.00 0.52 C ATOM 1516 CG TYR A 99 3.063 -4.197 -6.240 1.00 0.64 C ATOM 1517 CD1 TYR A 99 4.435 -3.930 -6.329 1.00 1.20 C ATOM 1518 CD2 TYR A 99 2.616 -5.358 -5.597 1.00 1.58 C ATOM 1519 CE1 TYR A 99 5.359 -4.825 -5.775 1.00 1.49 C ATOM 1520 CE2 TYR A 99 3.540 -6.252 -5.043 1.00 2.05 C ATOM 1521 CZ TYR A 99 4.903 -5.990 -5.126 1.00 1.70 C ATOM 1522 OH TYR A 99 5.821 -6.867 -4.587 1.00 2.27 O ATOM 0 H TYR A 99 0.601 -1.910 -8.312 1.00 0.45 H new ATOM 0 HA TYR A 99 3.557 -2.410 -8.216 1.00 0.46 H new ATOM 0 HB2 TYR A 99 1.964 -2.357 -6.195 1.00 0.52 H new ATOM 0 HB3 TYR A 99 1.087 -3.698 -6.905 1.00 0.52 H new ATOM 0 HD1 TYR A 99 4.780 -3.035 -6.824 1.00 1.20 H new ATOM 0 HD2 TYR A 99 1.558 -5.564 -5.528 1.00 1.58 H new ATOM 0 HE1 TYR A 99 6.418 -4.623 -5.845 1.00 1.49 H new ATOM 0 HE2 TYR A 99 3.193 -7.148 -4.550 1.00 2.05 H new ATOM 0 HH TYR A 99 5.350 -7.620 -4.173 1.00 2.27 H new ATOM 1532 N THR A 100 3.677 -4.594 -9.408 1.00 0.60 N ATOM 1533 CA THR A 100 3.742 -5.765 -10.332 1.00 0.72 C ATOM 1534 C THR A 100 5.072 -6.503 -10.158 1.00 0.83 C ATOM 1535 O THR A 100 5.952 -6.423 -10.993 1.00 1.71 O ATOM 1536 CB THR A 100 3.629 -5.178 -11.744 1.00 0.93 C ATOM 1537 OG1 THR A 100 3.878 -6.201 -12.697 1.00 1.36 O ATOM 1538 CG2 THR A 100 4.650 -4.050 -11.929 1.00 1.13 C ATOM 0 H THR A 100 4.566 -4.324 -8.988 1.00 0.60 H new ATOM 0 HA THR A 100 2.950 -6.487 -10.133 1.00 0.72 H new ATOM 0 HB THR A 100 2.626 -4.776 -11.885 1.00 0.93 H new ATOM 0 HG1 THR A 100 4.824 -6.453 -12.666 1.00 1.36 H new ATOM 0 HG21 THR A 100 4.561 -3.640 -12.935 1.00 1.13 H new ATOM 0 HG22 THR A 100 4.460 -3.264 -11.199 1.00 1.13 H new ATOM 0 HG23 THR A 100 5.656 -4.443 -11.785 1.00 1.13 H new ATOM 1546 N ALA A 101 5.227 -7.221 -9.080 1.00 0.83 N ATOM 1547 CA ALA A 101 6.502 -7.961 -8.854 1.00 1.01 C ATOM 1548 C ALA A 101 6.234 -9.466 -8.750 1.00 1.36 C ATOM 1549 O ALA A 101 6.375 -10.198 -9.710 1.00 1.98 O ATOM 1550 CB ALA A 101 7.048 -7.415 -7.532 1.00 0.87 C ATOM 0 H ALA A 101 4.527 -7.328 -8.346 1.00 0.83 H new ATOM 0 HA ALA A 101 7.209 -7.825 -9.673 1.00 1.01 H new ATOM 0 HB1 ALA A 101 7.989 -7.911 -7.294 1.00 0.87 H new ATOM 0 HB2 ALA A 101 7.217 -6.342 -7.623 1.00 0.87 H new ATOM 0 HB3 ALA A 101 6.328 -7.603 -6.736 1.00 0.87 H new ATOM 1556 N GLY A 102 5.849 -9.934 -7.595 1.00 1.17 N ATOM 1557 CA GLY A 102 5.576 -11.391 -7.435 1.00 1.71 C ATOM 1558 C GLY A 102 4.410 -11.593 -6.466 1.00 1.08 C ATOM 1559 O GLY A 102 3.272 -11.311 -6.782 1.00 1.27 O ATOM 0 H GLY A 102 5.712 -9.371 -6.755 1.00 1.17 H new ATOM 0 HA2 GLY A 102 5.339 -11.835 -8.402 1.00 1.71 H new ATOM 0 HA3 GLY A 102 6.465 -11.899 -7.060 1.00 1.71 H new ATOM 1563 N ARG A 103 4.682 -12.082 -5.286 1.00 0.90 N ATOM 1564 CA ARG A 103 3.584 -12.302 -4.301 1.00 1.11 C ATOM 1565 C ARG A 103 4.156 -12.470 -2.891 1.00 0.94 C ATOM 1566 O ARG A 103 3.677 -13.266 -2.108 1.00 1.04 O ATOM 1567 CB ARG A 103 2.895 -13.589 -4.758 1.00 1.71 C ATOM 1568 CG ARG A 103 1.387 -13.352 -4.869 1.00 2.44 C ATOM 1569 CD ARG A 103 0.890 -13.865 -6.222 1.00 3.16 C ATOM 1570 NE ARG A 103 -0.561 -14.135 -6.021 1.00 3.73 N ATOM 1571 CZ ARG A 103 -0.997 -15.365 -5.993 1.00 4.34 C ATOM 1572 NH1 ARG A 103 -0.287 -16.296 -5.417 1.00 4.84 N ATOM 1573 NH2 ARG A 103 -2.144 -15.661 -6.540 1.00 4.81 N ATOM 0 H ARG A 103 5.615 -12.338 -4.962 1.00 0.90 H new ATOM 0 HA ARG A 103 2.893 -11.460 -4.261 1.00 1.11 H new ATOM 0 HB2 ARG A 103 3.295 -13.906 -5.721 1.00 1.71 H new ATOM 0 HB3 ARG A 103 3.096 -14.392 -4.049 1.00 1.71 H new ATOM 0 HG2 ARG A 103 0.867 -13.865 -4.060 1.00 2.44 H new ATOM 0 HG3 ARG A 103 1.166 -12.289 -4.767 1.00 2.44 H new ATOM 0 HD2 ARG A 103 1.049 -13.126 -7.007 1.00 3.16 H new ATOM 0 HD3 ARG A 103 1.422 -14.768 -6.522 1.00 3.16 H new ATOM 0 HE ARG A 103 -1.213 -13.359 -5.905 1.00 3.73 H new ATOM 0 HH11 ARG A 103 0.609 -16.063 -4.989 1.00 4.84 H new ATOM 0 HH12 ARG A 103 -0.628 -17.257 -5.395 1.00 4.84 H new ATOM 0 HH21 ARG A 103 -2.698 -14.932 -6.989 1.00 4.81 H new ATOM 0 HH22 ARG A 103 -2.486 -16.622 -6.519 1.00 4.81 H new ATOM 1587 N GLU A 104 5.175 -11.725 -2.559 1.00 0.75 N ATOM 1588 CA GLU A 104 5.773 -11.843 -1.198 1.00 0.66 C ATOM 1589 C GLU A 104 6.374 -10.502 -0.769 1.00 0.56 C ATOM 1590 O GLU A 104 6.682 -9.659 -1.589 1.00 0.57 O ATOM 1591 CB GLU A 104 6.865 -12.904 -1.329 1.00 0.79 C ATOM 1592 CG GLU A 104 7.882 -12.464 -2.382 1.00 1.59 C ATOM 1593 CD GLU A 104 8.479 -13.697 -3.064 1.00 1.87 C ATOM 1594 OE1 GLU A 104 7.731 -14.628 -3.317 1.00 2.51 O ATOM 1595 OE2 GLU A 104 9.670 -13.689 -3.320 1.00 2.04 O ATOM 0 H GLU A 104 5.619 -11.040 -3.171 1.00 0.75 H new ATOM 0 HA GLU A 104 5.033 -12.116 -0.446 1.00 0.66 H new ATOM 0 HB2 GLU A 104 7.360 -13.051 -0.369 1.00 0.79 H new ATOM 0 HB3 GLU A 104 6.425 -13.861 -1.611 1.00 0.79 H new ATOM 0 HG2 GLU A 104 7.401 -11.824 -3.122 1.00 1.59 H new ATOM 0 HG3 GLU A 104 8.672 -11.875 -1.916 1.00 1.59 H new ATOM 1602 N ALA A 105 6.542 -10.299 0.508 1.00 0.50 N ATOM 1603 CA ALA A 105 7.120 -9.010 0.990 1.00 0.44 C ATOM 1604 C ALA A 105 8.422 -8.689 0.249 1.00 0.45 C ATOM 1605 O ALA A 105 8.700 -7.550 -0.069 1.00 0.47 O ATOM 1606 CB ALA A 105 7.395 -9.235 2.476 1.00 0.47 C ATOM 0 H ALA A 105 6.305 -10.969 1.240 1.00 0.50 H new ATOM 0 HA ALA A 105 6.447 -8.171 0.816 1.00 0.44 H new ATOM 0 HB1 ALA A 105 7.823 -8.330 2.908 1.00 0.47 H new ATOM 0 HB2 ALA A 105 6.462 -9.475 2.986 1.00 0.47 H new ATOM 0 HB3 ALA A 105 8.096 -10.061 2.595 1.00 0.47 H new ATOM 1612 N ASP A 106 9.224 -9.682 -0.025 1.00 0.51 N ATOM 1613 CA ASP A 106 10.509 -9.425 -0.740 1.00 0.56 C ATOM 1614 C ASP A 106 10.238 -8.860 -2.137 1.00 0.54 C ATOM 1615 O ASP A 106 11.007 -8.076 -2.658 1.00 0.64 O ATOM 1616 CB ASP A 106 11.194 -10.790 -0.834 1.00 0.67 C ATOM 1617 CG ASP A 106 12.173 -10.952 0.331 1.00 1.18 C ATOM 1618 OD1 ASP A 106 11.716 -11.011 1.459 1.00 1.82 O ATOM 1619 OD2 ASP A 106 13.364 -11.015 0.074 1.00 2.02 O ATOM 0 H ASP A 106 9.047 -10.658 0.214 1.00 0.51 H new ATOM 0 HA ASP A 106 11.129 -8.695 -0.220 1.00 0.56 H new ATOM 0 HB2 ASP A 106 10.449 -11.585 -0.810 1.00 0.67 H new ATOM 0 HB3 ASP A 106 11.723 -10.878 -1.783 1.00 0.67 H new ATOM 1624 N ASP A 107 9.152 -9.247 -2.745 1.00 0.50 N ATOM 1625 CA ASP A 107 8.838 -8.723 -4.105 1.00 0.52 C ATOM 1626 C ASP A 107 8.444 -7.249 -4.016 1.00 0.51 C ATOM 1627 O ASP A 107 8.719 -6.465 -4.903 1.00 0.63 O ATOM 1628 CB ASP A 107 7.662 -9.566 -4.598 1.00 0.55 C ATOM 1629 CG ASP A 107 8.178 -10.651 -5.546 1.00 0.76 C ATOM 1630 OD1 ASP A 107 8.681 -10.300 -6.599 1.00 1.41 O ATOM 1631 OD2 ASP A 107 8.061 -11.816 -5.201 1.00 1.39 O ATOM 0 H ASP A 107 8.470 -9.901 -2.362 1.00 0.50 H new ATOM 0 HA ASP A 107 9.690 -8.787 -4.781 1.00 0.52 H new ATOM 0 HB2 ASP A 107 7.147 -10.021 -3.752 1.00 0.55 H new ATOM 0 HB3 ASP A 107 6.937 -8.934 -5.111 1.00 0.55 H new ATOM 1636 N ILE A 108 7.807 -6.866 -2.945 1.00 0.46 N ATOM 1637 CA ILE A 108 7.401 -5.441 -2.791 1.00 0.52 C ATOM 1638 C ILE A 108 8.639 -4.572 -2.566 1.00 0.50 C ATOM 1639 O ILE A 108 8.785 -3.519 -3.156 1.00 0.52 O ATOM 1640 CB ILE A 108 6.495 -5.417 -1.561 1.00 0.60 C ATOM 1641 CG1 ILE A 108 5.258 -6.279 -1.825 1.00 0.73 C ATOM 1642 CG2 ILE A 108 6.062 -3.977 -1.275 1.00 0.67 C ATOM 1643 CD1 ILE A 108 4.329 -6.230 -0.611 1.00 0.68 C ATOM 0 H ILE A 108 7.550 -7.477 -2.170 1.00 0.46 H new ATOM 0 HA ILE A 108 6.892 -5.054 -3.674 1.00 0.52 H new ATOM 0 HB ILE A 108 7.037 -5.811 -0.701 1.00 0.60 H new ATOM 0 HG12 ILE A 108 4.734 -5.920 -2.711 1.00 0.73 H new ATOM 0 HG13 ILE A 108 5.556 -7.308 -2.026 1.00 0.73 H new ATOM 0 HG21 ILE A 108 5.416 -3.959 -0.398 1.00 0.67 H new ATOM 0 HG22 ILE A 108 6.943 -3.362 -1.090 1.00 0.67 H new ATOM 0 HG23 ILE A 108 5.519 -3.583 -2.134 1.00 0.67 H new ATOM 0 HD11 ILE A 108 3.449 -6.844 -0.801 1.00 0.68 H new ATOM 0 HD12 ILE A 108 4.855 -6.610 0.265 1.00 0.68 H new ATOM 0 HD13 ILE A 108 4.020 -5.200 -0.430 1.00 0.68 H new ATOM 1655 N VAL A 109 9.536 -5.005 -1.724 1.00 0.51 N ATOM 1656 CA VAL A 109 10.766 -4.202 -1.473 1.00 0.56 C ATOM 1657 C VAL A 109 11.535 -4.004 -2.780 1.00 0.51 C ATOM 1658 O VAL A 109 12.086 -2.951 -3.036 1.00 0.55 O ATOM 1659 CB VAL A 109 11.590 -5.031 -0.487 1.00 0.67 C ATOM 1660 CG1 VAL A 109 12.905 -4.305 -0.191 1.00 0.81 C ATOM 1661 CG2 VAL A 109 10.802 -5.211 0.811 1.00 0.86 C ATOM 0 H VAL A 109 9.471 -5.878 -1.200 1.00 0.51 H new ATOM 0 HA VAL A 109 10.541 -3.211 -1.079 1.00 0.56 H new ATOM 0 HB VAL A 109 11.802 -6.009 -0.919 1.00 0.67 H new ATOM 0 HG11 VAL A 109 13.495 -4.893 0.512 1.00 0.81 H new ATOM 0 HG12 VAL A 109 13.466 -4.176 -1.117 1.00 0.81 H new ATOM 0 HG13 VAL A 109 12.692 -3.328 0.243 1.00 0.81 H new ATOM 0 HG21 VAL A 109 11.389 -5.802 1.514 1.00 0.86 H new ATOM 0 HG22 VAL A 109 10.590 -4.234 1.246 1.00 0.86 H new ATOM 0 HG23 VAL A 109 9.865 -5.725 0.599 1.00 0.86 H new ATOM 1671 N ASN A 110 11.575 -5.010 -3.612 1.00 0.50 N ATOM 1672 CA ASN A 110 12.305 -4.880 -4.906 1.00 0.52 C ATOM 1673 C ASN A 110 11.702 -3.748 -5.735 1.00 0.50 C ATOM 1674 O ASN A 110 12.403 -2.931 -6.297 1.00 0.59 O ATOM 1675 CB ASN A 110 12.111 -6.223 -5.609 1.00 0.59 C ATOM 1676 CG ASN A 110 13.384 -7.059 -5.475 1.00 0.98 C ATOM 1677 OD1 ASN A 110 14.164 -7.151 -6.403 1.00 1.65 O ATOM 1678 ND2 ASN A 110 13.631 -7.676 -4.353 1.00 1.29 N ATOM 0 H ASN A 110 11.134 -5.916 -3.452 1.00 0.50 H new ATOM 0 HA ASN A 110 13.360 -4.646 -4.765 1.00 0.52 H new ATOM 0 HB2 ASN A 110 11.266 -6.755 -5.172 1.00 0.59 H new ATOM 0 HB3 ASN A 110 11.877 -6.064 -6.662 1.00 0.59 H new ATOM 0 HD21 ASN A 110 14.478 -8.235 -4.254 1.00 1.29 H new ATOM 0 HD22 ASN A 110 12.977 -7.599 -3.574 1.00 1.29 H new ATOM 1685 N TRP A 111 10.402 -3.693 -5.810 1.00 0.46 N ATOM 1686 CA TRP A 111 9.745 -2.613 -6.598 1.00 0.51 C ATOM 1687 C TRP A 111 10.013 -1.257 -5.945 1.00 0.55 C ATOM 1688 O TRP A 111 10.030 -0.232 -6.598 1.00 0.66 O ATOM 1689 CB TRP A 111 8.252 -2.943 -6.556 1.00 0.55 C ATOM 1690 CG TRP A 111 7.545 -2.186 -7.633 1.00 0.58 C ATOM 1691 CD1 TRP A 111 7.314 -2.646 -8.884 1.00 0.73 C ATOM 1692 CD2 TRP A 111 6.972 -0.847 -7.577 1.00 0.69 C ATOM 1693 NE1 TRP A 111 6.637 -1.675 -9.601 1.00 0.84 N ATOM 1694 CE2 TRP A 111 6.403 -0.548 -8.838 1.00 0.83 C ATOM 1695 CE3 TRP A 111 6.892 0.128 -6.566 1.00 0.84 C ATOM 1696 CZ2 TRP A 111 5.775 0.674 -9.087 1.00 1.03 C ATOM 1697 CZ3 TRP A 111 6.262 1.358 -6.813 1.00 1.07 C ATOM 1698 CH2 TRP A 111 5.705 1.631 -8.071 1.00 1.14 C ATOM 0 H TRP A 111 9.765 -4.350 -5.359 1.00 0.46 H new ATOM 0 HA TRP A 111 10.119 -2.557 -7.620 1.00 0.51 H new ATOM 0 HB2 TRP A 111 8.101 -4.014 -6.690 1.00 0.55 H new ATOM 0 HB3 TRP A 111 7.838 -2.683 -5.582 1.00 0.55 H new ATOM 0 HD1 TRP A 111 7.610 -3.614 -9.262 1.00 0.73 H new ATOM 0 HE1 TRP A 111 6.347 -1.779 -10.573 1.00 0.84 H new ATOM 0 HE3 TRP A 111 7.318 -0.071 -5.594 1.00 0.84 H new ATOM 0 HZ2 TRP A 111 5.347 0.878 -10.057 1.00 1.03 H new ATOM 0 HZ3 TRP A 111 6.206 2.099 -6.029 1.00 1.07 H new ATOM 0 HH2 TRP A 111 5.223 2.580 -8.254 1.00 1.14 H new ATOM 1709 N LEU A 112 10.226 -1.245 -4.658 1.00 0.55 N ATOM 1710 CA LEU A 112 10.497 0.042 -3.959 1.00 0.65 C ATOM 1711 C LEU A 112 11.985 0.385 -4.052 1.00 0.65 C ATOM 1712 O LEU A 112 12.358 1.511 -4.308 1.00 0.75 O ATOM 1713 CB LEU A 112 10.088 -0.202 -2.507 1.00 0.74 C ATOM 1714 CG LEU A 112 8.577 -0.006 -2.364 1.00 0.86 C ATOM 1715 CD1 LEU A 112 7.937 -1.307 -1.877 1.00 1.49 C ATOM 1716 CD2 LEU A 112 8.302 1.105 -1.352 1.00 1.10 C ATOM 0 H LEU A 112 10.224 -2.071 -4.060 1.00 0.55 H new ATOM 0 HA LEU A 112 9.951 0.877 -4.398 1.00 0.65 H new ATOM 0 HB2 LEU A 112 10.365 -1.212 -2.205 1.00 0.74 H new ATOM 0 HB3 LEU A 112 10.619 0.485 -1.848 1.00 0.74 H new ATOM 0 HG LEU A 112 8.153 0.268 -3.330 1.00 0.86 H new ATOM 0 HD11 LEU A 112 6.861 -1.167 -1.775 1.00 1.49 H new ATOM 0 HD12 LEU A 112 8.133 -2.101 -2.598 1.00 1.49 H new ATOM 0 HD13 LEU A 112 8.360 -1.581 -0.911 1.00 1.49 H new ATOM 0 HD21 LEU A 112 7.226 1.245 -1.249 1.00 1.10 H new ATOM 0 HD22 LEU A 112 8.726 0.830 -0.386 1.00 1.10 H new ATOM 0 HD23 LEU A 112 8.758 2.033 -1.698 1.00 1.10 H new ATOM 1728 N LYS A 113 12.840 -0.581 -3.849 1.00 0.62 N ATOM 1729 CA LYS A 113 14.305 -0.309 -3.931 1.00 0.70 C ATOM 1730 C LYS A 113 14.815 -0.566 -5.353 1.00 0.75 C ATOM 1731 O LYS A 113 15.988 -0.799 -5.567 1.00 1.01 O ATOM 1732 CB LYS A 113 14.945 -1.293 -2.952 1.00 0.79 C ATOM 1733 CG LYS A 113 15.267 -0.572 -1.644 1.00 1.42 C ATOM 1734 CD LYS A 113 14.870 -1.459 -0.463 1.00 1.84 C ATOM 1735 CE LYS A 113 16.005 -1.483 0.562 1.00 2.39 C ATOM 1736 NZ LYS A 113 15.840 -0.228 1.348 1.00 2.86 N ATOM 0 H LYS A 113 12.589 -1.545 -3.630 1.00 0.62 H new ATOM 0 HA LYS A 113 14.545 0.726 -3.689 1.00 0.70 H new ATOM 0 HB2 LYS A 113 14.269 -2.127 -2.763 1.00 0.79 H new ATOM 0 HB3 LYS A 113 15.855 -1.712 -3.383 1.00 0.79 H new ATOM 0 HG2 LYS A 113 16.331 -0.339 -1.597 1.00 1.42 H new ATOM 0 HG3 LYS A 113 14.731 0.376 -1.597 1.00 1.42 H new ATOM 0 HD2 LYS A 113 13.957 -1.082 -0.002 1.00 1.84 H new ATOM 0 HD3 LYS A 113 14.657 -2.470 -0.810 1.00 1.84 H new ATOM 0 HE2 LYS A 113 15.939 -2.362 1.203 1.00 2.39 H new ATOM 0 HE3 LYS A 113 16.978 -1.517 0.073 1.00 2.39 H new ATOM 0 HZ1 LYS A 113 16.774 0.187 1.540 1.00 2.86 H new ATOM 0 HZ2 LYS A 113 15.265 0.448 0.806 1.00 2.86 H new ATOM 0 HZ3 LYS A 113 15.365 -0.442 2.248 1.00 2.86 H new ATOM 1750 N LYS A 114 13.944 -0.530 -6.325 1.00 0.71 N ATOM 1751 CA LYS A 114 14.385 -0.776 -7.728 1.00 0.89 C ATOM 1752 C LYS A 114 14.969 0.503 -8.337 1.00 1.07 C ATOM 1753 O LYS A 114 15.847 0.456 -9.176 1.00 1.31 O ATOM 1754 CB LYS A 114 13.116 -1.193 -8.471 1.00 0.92 C ATOM 1755 CG LYS A 114 13.348 -2.533 -9.170 1.00 1.45 C ATOM 1756 CD LYS A 114 12.139 -2.869 -10.045 1.00 1.77 C ATOM 1757 CE LYS A 114 11.938 -4.386 -10.077 1.00 2.49 C ATOM 1758 NZ LYS A 114 11.015 -4.626 -11.223 1.00 3.00 N ATOM 0 H LYS A 114 12.948 -0.341 -6.209 1.00 0.71 H new ATOM 0 HA LYS A 114 15.164 -1.536 -7.788 1.00 0.89 H new ATOM 0 HB2 LYS A 114 12.284 -1.275 -7.772 1.00 0.92 H new ATOM 0 HB3 LYS A 114 12.844 -0.432 -9.202 1.00 0.92 H new ATOM 0 HG2 LYS A 114 14.250 -2.485 -9.780 1.00 1.45 H new ATOM 0 HG3 LYS A 114 13.505 -3.318 -8.431 1.00 1.45 H new ATOM 0 HD2 LYS A 114 11.246 -2.381 -9.653 1.00 1.77 H new ATOM 0 HD3 LYS A 114 12.292 -2.490 -11.056 1.00 1.77 H new ATOM 0 HE2 LYS A 114 12.885 -4.907 -10.217 1.00 2.49 H new ATOM 0 HE3 LYS A 114 11.510 -4.748 -9.142 1.00 2.49 H new ATOM 0 HZ1 LYS A 114 10.828 -5.645 -11.311 1.00 3.00 H new ATOM 0 HZ2 LYS A 114 10.120 -4.123 -11.059 1.00 3.00 H new ATOM 0 HZ3 LYS A 114 11.452 -4.278 -12.100 1.00 3.00 H new ATOM 1772 N ARG A 115 14.488 1.643 -7.926 1.00 1.09 N ATOM 1773 CA ARG A 115 15.017 2.919 -8.490 1.00 1.40 C ATOM 1774 C ARG A 115 15.547 3.823 -7.374 1.00 1.25 C ATOM 1775 O ARG A 115 16.492 4.565 -7.558 1.00 1.55 O ATOM 1776 CB ARG A 115 13.821 3.570 -9.185 1.00 1.86 C ATOM 1777 CG ARG A 115 14.230 4.030 -10.586 1.00 2.43 C ATOM 1778 CD ARG A 115 14.395 2.811 -11.496 1.00 2.92 C ATOM 1779 NE ARG A 115 13.214 2.845 -12.400 1.00 3.45 N ATOM 1780 CZ ARG A 115 13.383 2.921 -13.692 1.00 3.99 C ATOM 1781 NH1 ARG A 115 14.128 3.865 -14.198 1.00 4.52 N ATOM 1782 NH2 ARG A 115 12.808 2.051 -14.477 1.00 4.34 N ATOM 0 H ARG A 115 13.754 1.748 -7.226 1.00 1.09 H new ATOM 0 HA ARG A 115 15.848 2.750 -9.175 1.00 1.40 H new ATOM 0 HB2 ARG A 115 12.995 2.861 -9.250 1.00 1.86 H new ATOM 0 HB3 ARG A 115 13.466 4.419 -8.601 1.00 1.86 H new ATOM 0 HG2 ARG A 115 13.475 4.702 -10.994 1.00 2.43 H new ATOM 0 HG3 ARG A 115 15.164 4.590 -10.538 1.00 2.43 H new ATOM 0 HD2 ARG A 115 15.326 2.863 -12.060 1.00 2.92 H new ATOM 0 HD3 ARG A 115 14.423 1.887 -10.918 1.00 2.92 H new ATOM 0 HE ARG A 115 12.272 2.809 -12.010 1.00 3.45 H new ATOM 0 HH11 ARG A 115 14.578 4.544 -13.584 1.00 4.52 H new ATOM 0 HH12 ARG A 115 14.260 3.924 -15.208 1.00 4.52 H new ATOM 0 HH21 ARG A 115 12.227 1.312 -14.081 1.00 4.34 H new ATOM 0 HH22 ARG A 115 12.940 2.110 -15.487 1.00 4.34 H new