USER MOD reduce.3.24.130724 H: found=0, std=0, add=871, rem=0, adj=22 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 Single : A 8 HIS : no HE2:sc= -0.388 K(o=-0.39,f=-2.4!) USER MOD Single : A 14 LYS NZ :NH3+ -164:sc= 0.0376 (180deg=0.0122) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -1.83! C(o=-1.8!,f=-16!) USER MOD Single : A 24 HIS : no HE2:sc= -0.397 X(o=-0.4,f=-0.66) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 111:sc= 0.0117 USER MOD Single : A 38 HIS : no HD1:sc= -1.91 K(o=-1.9,f=-0.64) USER MOD Single : A 40 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00808) USER MOD Single : A 46 TYR OH : rot -30:sc= -6.37! USER MOD Single : A 48 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.217) 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 58 SER OG : rot 180:sc= 0.0903 USER MOD Single : A 64 LYS NZ :NH3+ 172:sc= 1.1 (180deg=1.05) USER MOD Single : A 68 THR OG1 : rot 122:sc= -2.84! USER MOD Single : A 71 SER OG : rot 75:sc= 1.05 USER MOD Single : A 75 GLN : amide:sc= -0.345 X(o=-0.35,f=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 77 TYR OH : rot -86:sc= 0.676 USER MOD Single : A 82 TYR OH : rot 31:sc= -3.9! USER MOD Single : A 84 THR OG1 : rot -78:sc= 0.495 USER MOD Single : A 86 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.517) USER MOD Single : A 90 ASN : amide:sc= -0.927 K(o=-0.93,f=-4.4!) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.291 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 -150:sc= -2.96 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0976 USER MOD Single : A 110 ASN : amide:sc= -0.0283 K(o=-0.028,f=-1.8!) USER MOD Single : A 113 LYS NZ :NH3+ -136:sc= 0.339 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 4 -5.174 2.522 12.601 1.00 1.37 N ATOM 40 CA GLU A 4 -4.669 1.208 13.096 1.00 1.14 C ATOM 41 C GLU A 4 -3.312 0.892 12.459 1.00 0.89 C ATOM 42 O GLU A 4 -2.906 1.516 11.500 1.00 1.30 O ATOM 43 CB GLU A 4 -5.719 0.189 12.657 1.00 1.67 C ATOM 44 CG GLU A 4 -6.161 -0.640 13.865 1.00 2.39 C ATOM 45 CD GLU A 4 -5.538 -2.034 13.781 1.00 2.65 C ATOM 46 OE1 GLU A 4 -5.680 -2.664 12.746 1.00 3.05 O ATOM 47 OE2 GLU A 4 -4.929 -2.449 14.752 1.00 3.09 O ATOM 0 HA GLU A 4 -4.523 1.200 14.176 1.00 1.14 H new ATOM 0 HB2 GLU A 4 -6.577 0.700 12.220 1.00 1.67 H new ATOM 0 HB3 GLU A 4 -5.309 -0.463 11.886 1.00 1.67 H new ATOM 0 HG2 GLU A 4 -5.855 -0.148 14.789 1.00 2.39 H new ATOM 0 HG3 GLU A 4 -7.248 -0.716 13.889 1.00 2.39 H new ATOM 54 N GLU A 5 -2.607 -0.072 12.986 1.00 1.00 N ATOM 55 CA GLU A 5 -1.278 -0.424 12.408 1.00 0.81 C ATOM 56 C GLU A 5 -0.854 -1.826 12.859 1.00 0.87 C ATOM 57 O GLU A 5 -0.895 -2.150 14.029 1.00 1.15 O ATOM 58 CB GLU A 5 -0.317 0.629 12.960 1.00 0.95 C ATOM 59 CG GLU A 5 -0.334 0.584 14.489 1.00 1.46 C ATOM 60 CD GLU A 5 -0.457 2.005 15.042 1.00 1.82 C ATOM 61 OE1 GLU A 5 0.461 2.782 14.832 1.00 2.19 O ATOM 62 OE2 GLU A 5 -1.465 2.292 15.665 1.00 2.50 O ATOM 0 H GLU A 5 -2.893 -0.630 13.790 1.00 1.00 H new ATOM 0 HA GLU A 5 -1.293 -0.434 11.318 1.00 0.81 H new ATOM 0 HB2 GLU A 5 0.692 0.445 12.591 1.00 0.95 H new ATOM 0 HB3 GLU A 5 -0.607 1.620 12.612 1.00 0.95 H new ATOM 0 HG2 GLU A 5 -1.168 -0.026 14.836 1.00 1.46 H new ATOM 0 HG3 GLU A 5 0.578 0.116 14.859 1.00 1.46 H new ATOM 69 N GLU A 6 -0.445 -2.657 11.938 1.00 0.79 N ATOM 70 CA GLU A 6 -0.017 -4.036 12.317 1.00 1.04 C ATOM 71 C GLU A 6 1.500 -4.079 12.543 1.00 1.10 C ATOM 72 O GLU A 6 1.972 -3.965 13.657 1.00 1.76 O ATOM 73 CB GLU A 6 -0.413 -4.915 11.129 1.00 1.28 C ATOM 74 CG GLU A 6 -1.650 -5.738 11.494 1.00 1.68 C ATOM 75 CD GLU A 6 -2.051 -6.613 10.305 1.00 1.97 C ATOM 76 OE1 GLU A 6 -1.169 -7.208 9.709 1.00 2.63 O ATOM 77 OE2 GLU A 6 -3.234 -6.674 10.011 1.00 2.24 O ATOM 0 H GLU A 6 -0.389 -2.442 10.942 1.00 0.79 H new ATOM 0 HA GLU A 6 -0.482 -4.373 13.243 1.00 1.04 H new ATOM 0 HB2 GLU A 6 -0.620 -4.295 10.257 1.00 1.28 H new ATOM 0 HB3 GLU A 6 0.411 -5.576 10.861 1.00 1.28 H new ATOM 0 HG2 GLU A 6 -1.441 -6.361 12.364 1.00 1.68 H new ATOM 0 HG3 GLU A 6 -2.473 -5.076 11.766 1.00 1.68 H new ATOM 84 N ASP A 7 2.269 -4.239 11.497 1.00 1.27 N ATOM 85 CA ASP A 7 3.753 -4.282 11.657 1.00 1.35 C ATOM 86 C ASP A 7 4.394 -3.173 10.820 1.00 1.28 C ATOM 87 O ASP A 7 4.560 -3.305 9.623 1.00 2.01 O ATOM 88 CB ASP A 7 4.167 -5.657 11.132 1.00 1.53 C ATOM 89 CG ASP A 7 4.411 -6.602 12.311 1.00 1.92 C ATOM 90 OD1 ASP A 7 4.859 -6.128 13.341 1.00 2.57 O ATOM 91 OD2 ASP A 7 4.144 -7.783 12.162 1.00 2.36 O ATOM 0 H ASP A 7 1.933 -4.342 10.539 1.00 1.27 H new ATOM 0 HA ASP A 7 4.068 -4.131 12.690 1.00 1.35 H new ATOM 0 HB2 ASP A 7 3.388 -6.060 10.484 1.00 1.53 H new ATOM 0 HB3 ASP A 7 5.071 -5.571 10.529 1.00 1.53 H new ATOM 96 N HIS A 8 4.741 -2.071 11.432 1.00 1.21 N ATOM 97 CA HIS A 8 5.352 -0.947 10.657 1.00 1.11 C ATOM 98 C HIS A 8 4.466 -0.612 9.453 1.00 0.81 C ATOM 99 O HIS A 8 4.920 -0.101 8.450 1.00 0.87 O ATOM 100 CB HIS A 8 6.713 -1.470 10.196 1.00 1.32 C ATOM 101 CG HIS A 8 7.636 -0.308 9.957 1.00 1.61 C ATOM 102 ND1 HIS A 8 8.219 -0.068 8.722 1.00 2.30 N ATOM 103 CD2 HIS A 8 8.084 0.693 10.783 1.00 2.02 C ATOM 104 CE1 HIS A 8 8.977 1.037 8.839 1.00 2.53 C ATOM 105 NE2 HIS A 8 8.930 1.541 10.075 1.00 2.33 N ATOM 0 H HIS A 8 4.629 -1.900 12.431 1.00 1.21 H new ATOM 0 HA HIS A 8 5.453 -0.037 11.249 1.00 1.11 H new ATOM 0 HB2 HIS A 8 7.134 -2.135 10.950 1.00 1.32 H new ATOM 0 HB3 HIS A 8 6.601 -2.054 9.283 1.00 1.32 H new ATOM 0 HD1 HIS A 8 8.096 -0.628 7.878 1.00 2.30 H new ATOM 0 HD2 HIS A 8 7.820 0.805 11.824 1.00 2.02 H new ATOM 0 HE1 HIS A 8 9.553 1.465 8.032 1.00 2.53 H new ATOM 113 N VAL A 9 3.201 -0.914 9.555 1.00 0.69 N ATOM 114 CA VAL A 9 2.259 -0.639 8.435 1.00 0.49 C ATOM 115 C VAL A 9 0.961 -0.056 9.006 1.00 0.41 C ATOM 116 O VAL A 9 0.727 -0.110 10.197 1.00 0.54 O ATOM 117 CB VAL A 9 2.028 -2.018 7.802 1.00 0.68 C ATOM 118 CG1 VAL A 9 0.852 -1.971 6.827 1.00 0.88 C ATOM 119 CG2 VAL A 9 3.288 -2.448 7.049 1.00 0.89 C ATOM 0 H VAL A 9 2.776 -1.344 10.376 1.00 0.69 H new ATOM 0 HA VAL A 9 2.632 0.080 7.706 1.00 0.49 H new ATOM 0 HB VAL A 9 1.802 -2.733 8.593 1.00 0.68 H new ATOM 0 HG11 VAL A 9 0.704 -2.958 6.388 1.00 0.88 H new ATOM 0 HG12 VAL A 9 -0.050 -1.671 7.360 1.00 0.88 H new ATOM 0 HG13 VAL A 9 1.063 -1.251 6.037 1.00 0.88 H new ATOM 0 HG21 VAL A 9 3.126 -3.427 6.599 1.00 0.89 H new ATOM 0 HG22 VAL A 9 3.511 -1.721 6.268 1.00 0.89 H new ATOM 0 HG23 VAL A 9 4.126 -2.502 7.744 1.00 0.89 H new ATOM 129 N LEU A 10 0.111 0.497 8.180 1.00 0.41 N ATOM 130 CA LEU A 10 -1.160 1.067 8.721 1.00 0.54 C ATOM 131 C LEU A 10 -2.296 0.985 7.696 1.00 0.42 C ATOM 132 O LEU A 10 -2.081 0.941 6.503 1.00 0.59 O ATOM 133 CB LEU A 10 -0.838 2.525 9.134 1.00 0.83 C ATOM 134 CG LEU A 10 -0.704 3.494 7.934 1.00 0.96 C ATOM 135 CD1 LEU A 10 0.200 2.904 6.849 1.00 1.49 C ATOM 136 CD2 LEU A 10 -2.081 3.816 7.346 1.00 1.30 C ATOM 0 H LEU A 10 0.237 0.578 7.171 1.00 0.41 H new ATOM 0 HA LEU A 10 -1.516 0.498 9.580 1.00 0.54 H new ATOM 0 HB2 LEU A 10 -1.623 2.888 9.797 1.00 0.83 H new ATOM 0 HB3 LEU A 10 0.091 2.536 9.704 1.00 0.83 H new ATOM 0 HG LEU A 10 -0.250 4.415 8.299 1.00 0.96 H new ATOM 0 HD11 LEU A 10 0.277 3.605 6.018 1.00 1.49 H new ATOM 0 HD12 LEU A 10 1.192 2.721 7.262 1.00 1.49 H new ATOM 0 HD13 LEU A 10 -0.224 1.965 6.493 1.00 1.49 H new ATOM 0 HD21 LEU A 10 -1.966 4.498 6.504 1.00 1.30 H new ATOM 0 HD22 LEU A 10 -2.555 2.896 7.006 1.00 1.30 H new ATOM 0 HD23 LEU A 10 -2.702 4.284 8.110 1.00 1.30 H new ATOM 148 N VAL A 11 -3.514 0.953 8.159 1.00 0.54 N ATOM 149 CA VAL A 11 -4.667 0.867 7.219 1.00 0.46 C ATOM 150 C VAL A 11 -5.190 2.267 6.890 1.00 0.43 C ATOM 151 O VAL A 11 -5.113 3.175 7.694 1.00 0.54 O ATOM 152 CB VAL A 11 -5.727 0.058 7.968 1.00 0.61 C ATOM 153 CG1 VAL A 11 -6.141 0.808 9.237 1.00 1.39 C ATOM 154 CG2 VAL A 11 -6.950 -0.142 7.070 1.00 1.04 C ATOM 0 H VAL A 11 -3.762 0.983 9.148 1.00 0.54 H new ATOM 0 HA VAL A 11 -4.394 0.403 6.271 1.00 0.46 H new ATOM 0 HB VAL A 11 -5.315 -0.914 8.239 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -6.896 0.231 9.770 1.00 1.39 H new ATOM 0 HG12 VAL A 11 -5.270 0.947 9.878 1.00 1.39 H new ATOM 0 HG13 VAL A 11 -6.551 1.781 8.967 1.00 1.39 H new ATOM 0 HG21 VAL A 11 -7.704 -0.719 7.605 1.00 1.04 H new ATOM 0 HG22 VAL A 11 -7.363 0.829 6.796 1.00 1.04 H new ATOM 0 HG23 VAL A 11 -6.655 -0.679 6.168 1.00 1.04 H new ATOM 164 N LEU A 12 -5.724 2.450 5.712 1.00 0.40 N ATOM 165 CA LEU A 12 -6.253 3.791 5.332 1.00 0.45 C ATOM 166 C LEU A 12 -7.764 3.713 5.103 1.00 0.44 C ATOM 167 O LEU A 12 -8.314 2.651 4.889 1.00 0.58 O ATOM 168 CB LEU A 12 -5.529 4.152 4.034 1.00 0.63 C ATOM 169 CG LEU A 12 -4.048 4.403 4.325 1.00 0.76 C ATOM 170 CD1 LEU A 12 -3.336 4.802 3.030 1.00 1.16 C ATOM 171 CD2 LEU A 12 -3.910 5.531 5.350 1.00 0.82 C ATOM 0 H LEU A 12 -5.817 1.729 4.997 1.00 0.40 H new ATOM 0 HA LEU A 12 -6.087 4.537 6.109 1.00 0.45 H new ATOM 0 HB2 LEU A 12 -5.636 3.345 3.310 1.00 0.63 H new ATOM 0 HB3 LEU A 12 -5.978 5.040 3.590 1.00 0.63 H new ATOM 0 HG LEU A 12 -3.598 3.494 4.724 1.00 0.76 H new ATOM 0 HD11 LEU A 12 -2.281 4.981 3.235 1.00 1.16 H new ATOM 0 HD12 LEU A 12 -3.432 3.999 2.300 1.00 1.16 H new ATOM 0 HD13 LEU A 12 -3.788 5.711 2.632 1.00 1.16 H new ATOM 0 HD21 LEU A 12 -2.854 5.708 5.556 1.00 0.82 H new ATOM 0 HD22 LEU A 12 -4.360 6.441 4.953 1.00 0.82 H new ATOM 0 HD23 LEU A 12 -4.417 5.248 6.272 1.00 0.82 H new ATOM 183 N ARG A 13 -8.442 4.827 5.148 1.00 0.47 N ATOM 184 CA ARG A 13 -9.916 4.806 4.936 1.00 0.55 C ATOM 185 C ARG A 13 -10.420 6.185 4.502 1.00 0.54 C ATOM 186 O ARG A 13 -9.662 7.122 4.355 1.00 0.73 O ATOM 187 CB ARG A 13 -10.505 4.423 6.293 1.00 0.69 C ATOM 188 CG ARG A 13 -10.475 2.902 6.450 1.00 1.19 C ATOM 189 CD ARG A 13 -11.521 2.473 7.479 1.00 1.28 C ATOM 190 NE ARG A 13 -11.078 3.098 8.758 1.00 1.86 N ATOM 191 CZ ARG A 13 -11.843 3.967 9.357 1.00 2.30 C ATOM 192 NH1 ARG A 13 -13.129 3.764 9.428 1.00 2.68 N ATOM 193 NH2 ARG A 13 -11.321 5.041 9.886 1.00 2.84 N ATOM 0 H ARG A 13 -8.040 5.748 5.322 1.00 0.47 H new ATOM 0 HA ARG A 13 -10.205 4.108 4.151 1.00 0.55 H new ATOM 0 HB2 ARG A 13 -9.936 4.893 7.095 1.00 0.69 H new ATOM 0 HB3 ARG A 13 -11.529 4.788 6.373 1.00 0.69 H new ATOM 0 HG2 ARG A 13 -10.675 2.423 5.491 1.00 1.19 H new ATOM 0 HG3 ARG A 13 -9.484 2.578 6.767 1.00 1.19 H new ATOM 0 HD2 ARG A 13 -12.517 2.814 7.196 1.00 1.28 H new ATOM 0 HD3 ARG A 13 -11.569 1.387 7.565 1.00 1.28 H new ATOM 0 HE ARG A 13 -10.177 2.846 9.164 1.00 1.86 H new ATOM 0 HH11 ARG A 13 -13.536 2.925 9.015 1.00 2.68 H new ATOM 0 HH12 ARG A 13 -13.728 4.444 9.897 1.00 2.68 H new ATOM 0 HH21 ARG A 13 -10.315 5.200 9.830 1.00 2.84 H new ATOM 0 HH22 ARG A 13 -11.919 5.721 10.355 1.00 2.84 H new ATOM 207 N LYS A 14 -11.702 6.307 4.299 1.00 0.58 N ATOM 208 CA LYS A 14 -12.285 7.611 3.870 1.00 0.63 C ATOM 209 C LYS A 14 -11.918 8.736 4.847 1.00 0.65 C ATOM 210 O LYS A 14 -12.032 9.902 4.528 1.00 0.83 O ATOM 211 CB LYS A 14 -13.794 7.377 3.904 1.00 0.74 C ATOM 212 CG LYS A 14 -14.312 7.120 2.488 1.00 1.26 C ATOM 213 CD LYS A 14 -15.367 6.013 2.535 1.00 1.92 C ATOM 214 CE LYS A 14 -16.759 6.629 2.368 1.00 2.26 C ATOM 215 NZ LYS A 14 -17.709 5.529 2.693 1.00 2.80 N ATOM 0 H LYS A 14 -12.378 5.552 4.413 1.00 0.58 H new ATOM 0 HA LYS A 14 -11.915 7.915 2.891 1.00 0.63 H new ATOM 0 HB2 LYS A 14 -14.025 6.526 4.545 1.00 0.74 H new ATOM 0 HB3 LYS A 14 -14.296 8.244 4.333 1.00 0.74 H new ATOM 0 HG2 LYS A 14 -14.742 8.032 2.073 1.00 1.26 H new ATOM 0 HG3 LYS A 14 -13.490 6.829 1.834 1.00 1.26 H new ATOM 0 HD2 LYS A 14 -15.182 5.286 1.745 1.00 1.92 H new ATOM 0 HD3 LYS A 14 -15.306 5.477 3.482 1.00 1.92 H new ATOM 0 HE2 LYS A 14 -16.897 7.480 3.036 1.00 2.26 H new ATOM 0 HE3 LYS A 14 -16.910 6.994 1.352 1.00 2.26 H new ATOM 0 HZ1 LYS A 14 -18.658 5.777 2.348 1.00 2.80 H new ATOM 0 HZ2 LYS A 14 -17.392 4.650 2.235 1.00 2.80 H new ATOM 0 HZ3 LYS A 14 -17.741 5.391 3.723 1.00 2.80 H new ATOM 229 N SER A 15 -11.507 8.401 6.038 1.00 0.68 N ATOM 230 CA SER A 15 -11.170 9.462 7.030 1.00 0.88 C ATOM 231 C SER A 15 -9.677 9.799 7.010 1.00 0.81 C ATOM 232 O SER A 15 -9.277 10.858 7.454 1.00 1.05 O ATOM 233 CB SER A 15 -11.560 8.869 8.384 1.00 1.10 C ATOM 234 OG SER A 15 -11.222 9.785 9.417 1.00 1.68 O ATOM 0 H SER A 15 -11.390 7.443 6.367 1.00 0.68 H new ATOM 0 HA SER A 15 -11.693 10.393 6.811 1.00 0.88 H new ATOM 0 HB2 SER A 15 -12.629 8.658 8.406 1.00 1.10 H new ATOM 0 HB3 SER A 15 -11.044 7.921 8.540 1.00 1.10 H new ATOM 0 HG SER A 15 -11.473 9.406 10.285 1.00 1.68 H new ATOM 240 N ASN A 16 -8.842 8.922 6.518 1.00 0.65 N ATOM 241 CA ASN A 16 -7.383 9.239 6.509 1.00 0.68 C ATOM 242 C ASN A 16 -6.692 8.725 5.240 1.00 0.55 C ATOM 243 O ASN A 16 -5.484 8.597 5.201 1.00 0.56 O ATOM 244 CB ASN A 16 -6.817 8.546 7.750 1.00 0.87 C ATOM 245 CG ASN A 16 -7.101 7.046 7.677 1.00 0.91 C ATOM 246 OD1 ASN A 16 -7.254 6.498 6.606 1.00 1.74 O ATOM 247 ND2 ASN A 16 -7.176 6.353 8.780 1.00 0.98 N ATOM 0 H ASN A 16 -9.100 8.015 6.128 1.00 0.65 H new ATOM 0 HA ASN A 16 -7.214 10.316 6.520 1.00 0.68 H new ATOM 0 HB2 ASN A 16 -5.743 8.720 7.817 1.00 0.87 H new ATOM 0 HB3 ASN A 16 -7.265 8.967 8.650 1.00 0.87 H new ATOM 0 HD21 ASN A 16 -7.363 5.351 8.741 1.00 0.98 H new ATOM 0 HD22 ASN A 16 -7.047 6.813 9.681 1.00 0.98 H new ATOM 254 N PHE A 17 -7.430 8.445 4.198 1.00 0.55 N ATOM 255 CA PHE A 17 -6.775 7.961 2.949 1.00 0.51 C ATOM 256 C PHE A 17 -6.027 9.116 2.283 1.00 0.46 C ATOM 257 O PHE A 17 -4.818 9.103 2.164 1.00 0.52 O ATOM 258 CB PHE A 17 -7.911 7.478 2.052 1.00 0.56 C ATOM 259 CG PHE A 17 -7.335 6.875 0.794 1.00 0.62 C ATOM 260 CD1 PHE A 17 -6.860 7.707 -0.226 1.00 0.79 C ATOM 261 CD2 PHE A 17 -7.276 5.484 0.648 1.00 0.78 C ATOM 262 CE1 PHE A 17 -6.325 7.148 -1.393 1.00 0.90 C ATOM 263 CE2 PHE A 17 -6.740 4.925 -0.519 1.00 0.89 C ATOM 264 CZ PHE A 17 -6.268 5.755 -1.539 1.00 0.87 C ATOM 0 H PHE A 17 -8.446 8.529 4.158 1.00 0.55 H new ATOM 0 HA PHE A 17 -6.053 7.167 3.142 1.00 0.51 H new ATOM 0 HB2 PHE A 17 -8.516 6.740 2.578 1.00 0.56 H new ATOM 0 HB3 PHE A 17 -8.570 8.309 1.801 1.00 0.56 H new ATOM 0 HD1 PHE A 17 -6.906 8.780 -0.113 1.00 0.79 H new ATOM 0 HD2 PHE A 17 -7.644 4.842 1.435 1.00 0.78 H new ATOM 0 HE1 PHE A 17 -5.957 7.789 -2.180 1.00 0.90 H new ATOM 0 HE2 PHE A 17 -6.692 3.852 -0.630 1.00 0.89 H new ATOM 0 HZ PHE A 17 -5.859 5.323 -2.440 1.00 0.87 H new ATOM 274 N ALA A 18 -6.741 10.120 1.852 1.00 0.52 N ATOM 275 CA ALA A 18 -6.076 11.283 1.200 1.00 0.66 C ATOM 276 C ALA A 18 -5.047 11.902 2.149 1.00 0.59 C ATOM 277 O ALA A 18 -4.149 12.606 1.732 1.00 0.75 O ATOM 278 CB ALA A 18 -7.204 12.275 0.913 1.00 0.84 C ATOM 0 H ALA A 18 -7.756 10.185 1.923 1.00 0.52 H new ATOM 0 HA ALA A 18 -5.543 10.999 0.293 1.00 0.66 H new ATOM 0 HB1 ALA A 18 -6.794 13.163 0.431 1.00 0.84 H new ATOM 0 HB2 ALA A 18 -7.938 11.811 0.254 1.00 0.84 H new ATOM 0 HB3 ALA A 18 -7.685 12.560 1.849 1.00 0.84 H new ATOM 284 N GLU A 19 -5.165 11.641 3.424 1.00 0.46 N ATOM 285 CA GLU A 19 -4.192 12.207 4.393 1.00 0.49 C ATOM 286 C GLU A 19 -2.834 11.550 4.193 1.00 0.48 C ATOM 287 O GLU A 19 -1.853 12.204 3.928 1.00 0.56 O ATOM 288 CB GLU A 19 -4.749 11.860 5.771 1.00 0.55 C ATOM 289 CG GLU A 19 -3.894 12.536 6.843 1.00 0.69 C ATOM 290 CD GLU A 19 -4.652 12.548 8.171 1.00 1.04 C ATOM 291 OE1 GLU A 19 -5.663 13.227 8.247 1.00 1.66 O ATOM 292 OE2 GLU A 19 -4.209 11.878 9.090 1.00 1.78 O ATOM 0 H GLU A 19 -5.896 11.059 3.833 1.00 0.46 H new ATOM 0 HA GLU A 19 -4.060 13.282 4.270 1.00 0.49 H new ATOM 0 HB2 GLU A 19 -5.784 12.191 5.852 1.00 0.55 H new ATOM 0 HB3 GLU A 19 -4.748 10.780 5.916 1.00 0.55 H new ATOM 0 HG2 GLU A 19 -2.949 12.005 6.957 1.00 0.69 H new ATOM 0 HG3 GLU A 19 -3.653 13.555 6.541 1.00 0.69 H new ATOM 299 N ALA A 20 -2.773 10.252 4.313 1.00 0.45 N ATOM 300 CA ALA A 20 -1.471 9.545 4.126 1.00 0.53 C ATOM 301 C ALA A 20 -0.793 10.007 2.832 1.00 0.57 C ATOM 302 O ALA A 20 0.407 10.184 2.777 1.00 0.71 O ATOM 303 CB ALA A 20 -1.837 8.062 4.041 1.00 0.57 C ATOM 0 H ALA A 20 -3.567 9.650 4.532 1.00 0.45 H new ATOM 0 HA ALA A 20 -0.771 9.748 4.937 1.00 0.53 H new ATOM 0 HB1 ALA A 20 -0.932 7.471 3.903 1.00 0.57 H new ATOM 0 HB2 ALA A 20 -2.333 7.756 4.962 1.00 0.57 H new ATOM 0 HB3 ALA A 20 -2.508 7.901 3.197 1.00 0.57 H new ATOM 309 N LEU A 21 -1.556 10.209 1.795 1.00 0.55 N ATOM 310 CA LEU A 21 -0.958 10.664 0.506 1.00 0.69 C ATOM 311 C LEU A 21 -0.408 12.083 0.653 1.00 0.75 C ATOM 312 O LEU A 21 0.754 12.339 0.407 1.00 0.92 O ATOM 313 CB LEU A 21 -2.107 10.630 -0.500 1.00 0.74 C ATOM 314 CG LEU A 21 -1.920 9.436 -1.439 1.00 0.84 C ATOM 315 CD1 LEU A 21 -2.631 8.213 -0.856 1.00 0.90 C ATOM 316 CD2 LEU A 21 -2.515 9.765 -2.809 1.00 1.44 C ATOM 0 H LEU A 21 -2.568 10.079 1.783 1.00 0.55 H new ATOM 0 HA LEU A 21 -0.126 10.034 0.190 1.00 0.69 H new ATOM 0 HB2 LEU A 21 -3.061 10.551 0.022 1.00 0.74 H new ATOM 0 HB3 LEU A 21 -2.132 11.557 -1.072 1.00 0.74 H new ATOM 0 HG LEU A 21 -0.857 9.222 -1.547 1.00 0.84 H new ATOM 0 HD11 LEU A 21 -2.498 7.362 -1.524 1.00 0.90 H new ATOM 0 HD12 LEU A 21 -2.208 7.977 0.120 1.00 0.90 H new ATOM 0 HD13 LEU A 21 -3.694 8.427 -0.748 1.00 0.90 H new ATOM 0 HD21 LEU A 21 -2.382 8.914 -3.477 1.00 1.44 H new ATOM 0 HD22 LEU A 21 -3.578 9.979 -2.702 1.00 1.44 H new ATOM 0 HD23 LEU A 21 -2.010 10.636 -3.225 1.00 1.44 H new ATOM 328 N ALA A 22 -1.231 13.004 1.062 1.00 0.71 N ATOM 329 CA ALA A 22 -0.751 14.405 1.239 1.00 0.85 C ATOM 330 C ALA A 22 0.117 14.512 2.499 1.00 0.89 C ATOM 331 O ALA A 22 0.709 15.538 2.770 1.00 1.08 O ATOM 332 CB ALA A 22 -2.020 15.243 1.388 1.00 1.00 C ATOM 0 H ALA A 22 -2.215 12.850 1.282 1.00 0.71 H new ATOM 0 HA ALA A 22 -0.138 14.741 0.402 1.00 0.85 H new ATOM 0 HB1 ALA A 22 -1.751 16.291 1.523 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -2.632 15.138 0.492 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -2.584 14.899 2.255 1.00 1.00 H new ATOM 338 N ALA A 23 0.194 13.462 3.273 1.00 0.86 N ATOM 339 CA ALA A 23 1.016 13.499 4.512 1.00 0.93 C ATOM 340 C ALA A 23 2.430 12.992 4.214 1.00 0.85 C ATOM 341 O ALA A 23 3.408 13.581 4.626 1.00 0.95 O ATOM 342 CB ALA A 23 0.291 12.565 5.485 1.00 1.05 C ATOM 0 H ALA A 23 -0.281 12.577 3.097 1.00 0.86 H new ATOM 0 HA ALA A 23 1.123 14.504 4.920 1.00 0.93 H new ATOM 0 HB1 ALA A 23 0.833 12.533 6.430 1.00 1.05 H new ATOM 0 HB2 ALA A 23 -0.720 12.934 5.658 1.00 1.05 H new ATOM 0 HB3 ALA A 23 0.244 11.562 5.060 1.00 1.05 H new ATOM 348 N HIS A 24 2.545 11.909 3.492 1.00 0.83 N ATOM 349 CA HIS A 24 3.899 11.377 3.164 1.00 0.84 C ATOM 350 C HIS A 24 4.038 11.188 1.651 1.00 0.82 C ATOM 351 O HIS A 24 3.108 10.787 0.978 1.00 1.30 O ATOM 352 CB HIS A 24 3.986 10.033 3.886 1.00 0.95 C ATOM 353 CG HIS A 24 5.299 9.944 4.615 1.00 1.22 C ATOM 354 ND1 HIS A 24 6.515 10.046 3.960 1.00 1.80 N ATOM 355 CD2 HIS A 24 5.601 9.765 5.942 1.00 1.84 C ATOM 356 CE1 HIS A 24 7.485 9.928 4.885 1.00 2.04 C ATOM 357 NE2 HIS A 24 6.982 9.755 6.110 1.00 2.00 N ATOM 0 H HIS A 24 1.763 11.372 3.117 1.00 0.83 H new ATOM 0 HA HIS A 24 4.695 12.054 3.474 1.00 0.84 H new ATOM 0 HB2 HIS A 24 3.159 9.931 4.589 1.00 0.95 H new ATOM 0 HB3 HIS A 24 3.899 9.216 3.170 1.00 0.95 H new ATOM 0 HD1 HIS A 24 6.651 10.185 2.959 1.00 1.80 H new ATOM 0 HD2 HIS A 24 4.877 9.650 6.735 1.00 1.84 H new ATOM 0 HE1 HIS A 24 8.541 9.968 4.664 1.00 2.04 H new ATOM 365 N LYS A 25 5.189 11.479 1.108 1.00 0.72 N ATOM 366 CA LYS A 25 5.384 11.321 -0.362 1.00 0.69 C ATOM 367 C LYS A 25 5.163 9.861 -0.779 1.00 0.59 C ATOM 368 O LYS A 25 4.088 9.485 -1.203 1.00 0.68 O ATOM 369 CB LYS A 25 6.829 11.745 -0.620 1.00 0.81 C ATOM 370 CG LYS A 25 6.871 13.239 -0.945 1.00 1.20 C ATOM 371 CD LYS A 25 8.323 13.723 -0.932 1.00 1.51 C ATOM 372 CE LYS A 25 9.114 12.991 -2.019 1.00 2.06 C ATOM 373 NZ LYS A 25 10.527 13.412 -1.813 1.00 2.47 N ATOM 0 H LYS A 25 6.003 11.820 1.619 1.00 0.72 H new ATOM 0 HA LYS A 25 4.677 11.920 -0.936 1.00 0.69 H new ATOM 0 HB2 LYS A 25 7.443 11.535 0.256 1.00 0.81 H new ATOM 0 HB3 LYS A 25 7.246 11.170 -1.447 1.00 0.81 H new ATOM 0 HG2 LYS A 25 6.424 13.422 -1.922 1.00 1.20 H new ATOM 0 HG3 LYS A 25 6.284 13.797 -0.216 1.00 1.20 H new ATOM 0 HD2 LYS A 25 8.361 14.799 -1.102 1.00 1.51 H new ATOM 0 HD3 LYS A 25 8.770 13.539 0.045 1.00 1.51 H new ATOM 0 HE2 LYS A 25 9.006 11.910 -1.926 1.00 2.06 H new ATOM 0 HE3 LYS A 25 8.762 13.262 -3.014 1.00 2.06 H new ATOM 0 HZ1 LYS A 25 11.133 12.951 -2.521 1.00 2.47 H new ATOM 0 HZ2 LYS A 25 10.600 14.445 -1.914 1.00 2.47 H new ATOM 0 HZ3 LYS A 25 10.836 13.135 -0.860 1.00 2.47 H new ATOM 387 N TYR A 26 6.168 9.035 -0.662 1.00 0.52 N ATOM 388 CA TYR A 26 6.005 7.607 -1.052 1.00 0.48 C ATOM 389 C TYR A 26 4.888 6.970 -0.227 1.00 0.46 C ATOM 390 O TYR A 26 5.096 6.538 0.889 1.00 0.53 O ATOM 391 CB TYR A 26 7.348 6.950 -0.733 1.00 0.56 C ATOM 392 CG TYR A 26 8.425 7.537 -1.617 1.00 0.65 C ATOM 393 CD1 TYR A 26 8.185 7.727 -2.985 1.00 0.75 C ATOM 394 CD2 TYR A 26 9.664 7.890 -1.070 1.00 1.08 C ATOM 395 CE1 TYR A 26 9.184 8.270 -3.801 1.00 0.87 C ATOM 396 CE2 TYR A 26 10.664 8.431 -1.887 1.00 1.31 C ATOM 397 CZ TYR A 26 10.423 8.622 -3.254 1.00 1.08 C ATOM 398 OH TYR A 26 11.407 9.155 -4.059 1.00 1.33 O ATOM 0 H TYR A 26 7.093 9.288 -0.314 1.00 0.52 H new ATOM 0 HA TYR A 26 5.738 7.490 -2.102 1.00 0.48 H new ATOM 0 HB2 TYR A 26 7.600 7.106 0.316 1.00 0.56 H new ATOM 0 HB3 TYR A 26 7.283 5.873 -0.889 1.00 0.56 H new ATOM 0 HD1 TYR A 26 7.230 7.455 -3.409 1.00 0.75 H new ATOM 0 HD2 TYR A 26 9.849 7.745 -0.016 1.00 1.08 H new ATOM 0 HE1 TYR A 26 8.998 8.418 -4.855 1.00 0.87 H new ATOM 0 HE2 TYR A 26 11.620 8.701 -1.464 1.00 1.31 H new ATOM 0 HH TYR A 26 12.203 9.344 -3.520 1.00 1.33 H new ATOM 408 N LEU A 27 3.703 6.910 -0.765 1.00 0.46 N ATOM 409 CA LEU A 27 2.578 6.305 -0.005 1.00 0.45 C ATOM 410 C LEU A 27 2.033 5.087 -0.746 1.00 0.40 C ATOM 411 O LEU A 27 1.485 5.197 -1.824 1.00 0.50 O ATOM 412 CB LEU A 27 1.518 7.398 0.077 1.00 0.51 C ATOM 413 CG LEU A 27 0.922 7.422 1.484 1.00 0.77 C ATOM 414 CD1 LEU A 27 0.287 6.068 1.796 1.00 1.93 C ATOM 415 CD2 LEU A 27 2.030 7.707 2.501 1.00 0.66 C ATOM 0 H LEU A 27 3.466 7.253 -1.696 1.00 0.46 H new ATOM 0 HA LEU A 27 2.887 5.964 0.983 1.00 0.45 H new ATOM 0 HB2 LEU A 27 1.959 8.366 -0.160 1.00 0.51 H new ATOM 0 HB3 LEU A 27 0.735 7.216 -0.659 1.00 0.51 H new ATOM 0 HG LEU A 27 0.162 8.201 1.541 1.00 0.77 H new ATOM 0 HD11 LEU A 27 -0.137 6.088 2.800 1.00 1.93 H new ATOM 0 HD12 LEU A 27 -0.502 5.861 1.073 1.00 1.93 H new ATOM 0 HD13 LEU A 27 1.046 5.288 1.738 1.00 1.93 H new ATOM 0 HD21 LEU A 27 1.606 7.724 3.505 1.00 0.66 H new ATOM 0 HD22 LEU A 27 2.789 6.927 2.441 1.00 0.66 H new ATOM 0 HD23 LEU A 27 2.485 8.673 2.282 1.00 0.66 H new ATOM 427 N LEU A 28 2.174 3.928 -0.171 1.00 0.33 N ATOM 428 CA LEU A 28 1.655 2.706 -0.838 1.00 0.32 C ATOM 429 C LEU A 28 0.380 2.233 -0.142 1.00 0.29 C ATOM 430 O LEU A 28 0.290 2.219 1.069 1.00 0.35 O ATOM 431 CB LEU A 28 2.764 1.668 -0.691 1.00 0.40 C ATOM 432 CG LEU A 28 2.369 0.403 -1.451 1.00 0.53 C ATOM 433 CD1 LEU A 28 2.588 0.627 -2.947 1.00 0.73 C ATOM 434 CD2 LEU A 28 3.228 -0.768 -0.973 1.00 1.12 C ATOM 0 H LEU A 28 2.626 3.774 0.731 1.00 0.33 H new ATOM 0 HA LEU A 28 1.403 2.881 -1.884 1.00 0.32 H new ATOM 0 HB2 LEU A 28 3.702 2.063 -1.080 1.00 0.40 H new ATOM 0 HB3 LEU A 28 2.927 1.439 0.362 1.00 0.40 H new ATOM 0 HG LEU A 28 1.319 0.176 -1.267 1.00 0.53 H new ATOM 0 HD11 LEU A 28 2.308 -0.273 -3.495 1.00 0.73 H new ATOM 0 HD12 LEU A 28 1.974 1.463 -3.283 1.00 0.73 H new ATOM 0 HD13 LEU A 28 3.639 0.851 -3.131 1.00 0.73 H new ATOM 0 HD21 LEU A 28 2.946 -1.671 -1.515 1.00 1.12 H new ATOM 0 HD22 LEU A 28 4.279 -0.547 -1.157 1.00 1.12 H new ATOM 0 HD23 LEU A 28 3.071 -0.922 0.095 1.00 1.12 H new ATOM 446 N VAL A 29 -0.607 1.847 -0.899 1.00 0.32 N ATOM 447 CA VAL A 29 -1.880 1.376 -0.281 1.00 0.32 C ATOM 448 C VAL A 29 -2.532 0.320 -1.180 1.00 0.34 C ATOM 449 O VAL A 29 -2.451 0.383 -2.391 1.00 0.47 O ATOM 450 CB VAL A 29 -2.757 2.633 -0.146 1.00 0.40 C ATOM 451 CG1 VAL A 29 -2.780 3.405 -1.469 1.00 0.77 C ATOM 452 CG2 VAL A 29 -4.185 2.236 0.239 1.00 0.37 C ATOM 0 H VAL A 29 -0.589 1.837 -1.919 1.00 0.32 H new ATOM 0 HA VAL A 29 -1.729 0.904 0.690 1.00 0.32 H new ATOM 0 HB VAL A 29 -2.337 3.270 0.633 1.00 0.40 H new ATOM 0 HG11 VAL A 29 -3.404 4.292 -1.362 1.00 0.77 H new ATOM 0 HG12 VAL A 29 -1.766 3.704 -1.733 1.00 0.77 H new ATOM 0 HG13 VAL A 29 -3.187 2.768 -2.255 1.00 0.77 H new ATOM 0 HG21 VAL A 29 -4.799 3.132 0.332 1.00 0.37 H new ATOM 0 HG22 VAL A 29 -4.603 1.588 -0.532 1.00 0.37 H new ATOM 0 HG23 VAL A 29 -4.171 1.705 1.191 1.00 0.37 H new ATOM 462 N GLU A 30 -3.165 -0.657 -0.592 1.00 0.32 N ATOM 463 CA GLU A 30 -3.810 -1.729 -1.404 1.00 0.39 C ATOM 464 C GLU A 30 -5.294 -1.843 -1.048 1.00 0.36 C ATOM 465 O GLU A 30 -5.708 -1.525 0.048 1.00 0.42 O ATOM 466 CB GLU A 30 -3.057 -3.009 -1.021 1.00 0.52 C ATOM 467 CG GLU A 30 -3.761 -4.238 -1.613 1.00 0.64 C ATOM 468 CD GLU A 30 -3.198 -5.514 -0.978 1.00 0.89 C ATOM 469 OE1 GLU A 30 -2.258 -5.409 -0.205 1.00 1.48 O ATOM 470 OE2 GLU A 30 -3.715 -6.578 -1.279 1.00 1.60 O ATOM 0 H GLU A 30 -3.264 -0.760 0.418 1.00 0.32 H new ATOM 0 HA GLU A 30 -3.762 -1.531 -2.475 1.00 0.39 H new ATOM 0 HB2 GLU A 30 -2.031 -2.958 -1.385 1.00 0.52 H new ATOM 0 HB3 GLU A 30 -3.006 -3.098 0.064 1.00 0.52 H new ATOM 0 HG2 GLU A 30 -4.834 -4.175 -1.434 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -3.619 -4.265 -2.693 1.00 0.64 H new ATOM 477 N PHE A 31 -6.092 -2.305 -1.969 1.00 0.35 N ATOM 478 CA PHE A 31 -7.547 -2.450 -1.694 1.00 0.36 C ATOM 479 C PHE A 31 -7.908 -3.929 -1.531 1.00 0.39 C ATOM 480 O PHE A 31 -7.805 -4.706 -2.458 1.00 0.49 O ATOM 481 CB PHE A 31 -8.230 -1.869 -2.928 1.00 0.41 C ATOM 482 CG PHE A 31 -7.921 -0.395 -3.032 1.00 0.38 C ATOM 483 CD1 PHE A 31 -8.757 0.542 -2.412 1.00 0.53 C ATOM 484 CD2 PHE A 31 -6.800 0.034 -3.750 1.00 0.45 C ATOM 485 CE1 PHE A 31 -8.469 1.909 -2.512 1.00 0.59 C ATOM 486 CE2 PHE A 31 -6.512 1.399 -3.850 1.00 0.52 C ATOM 487 CZ PHE A 31 -7.347 2.337 -3.231 1.00 0.53 C ATOM 0 H PHE A 31 -5.798 -2.589 -2.903 1.00 0.35 H new ATOM 0 HA PHE A 31 -7.851 -1.946 -0.777 1.00 0.36 H new ATOM 0 HB2 PHE A 31 -7.887 -2.387 -3.824 1.00 0.41 H new ATOM 0 HB3 PHE A 31 -9.307 -2.021 -2.865 1.00 0.41 H new ATOM 0 HD1 PHE A 31 -9.623 0.211 -1.857 1.00 0.53 H new ATOM 0 HD2 PHE A 31 -6.156 -0.690 -4.228 1.00 0.45 H new ATOM 0 HE1 PHE A 31 -9.113 2.633 -2.034 1.00 0.59 H new ATOM 0 HE2 PHE A 31 -5.646 1.729 -4.404 1.00 0.52 H new ATOM 0 HZ PHE A 31 -7.125 3.391 -3.308 1.00 0.53 H new ATOM 497 N TYR A 32 -8.332 -4.328 -0.361 1.00 0.37 N ATOM 498 CA TYR A 32 -8.698 -5.760 -0.158 1.00 0.44 C ATOM 499 C TYR A 32 -9.969 -5.873 0.696 1.00 0.40 C ATOM 500 O TYR A 32 -10.453 -4.897 1.233 1.00 0.45 O ATOM 501 CB TYR A 32 -7.484 -6.384 0.555 1.00 0.54 C ATOM 502 CG TYR A 32 -7.422 -5.924 1.998 1.00 0.54 C ATOM 503 CD1 TYR A 32 -6.838 -4.693 2.322 1.00 0.58 C ATOM 504 CD2 TYR A 32 -7.954 -6.733 3.008 1.00 0.66 C ATOM 505 CE1 TYR A 32 -6.788 -4.273 3.657 1.00 0.67 C ATOM 506 CE2 TYR A 32 -7.903 -6.313 4.342 1.00 0.79 C ATOM 507 CZ TYR A 32 -7.320 -5.083 4.667 1.00 0.77 C ATOM 508 OH TYR A 32 -7.270 -4.670 5.982 1.00 0.94 O ATOM 0 H TYR A 32 -8.440 -3.729 0.457 1.00 0.37 H new ATOM 0 HA TYR A 32 -8.917 -6.271 -1.096 1.00 0.44 H new ATOM 0 HB2 TYR A 32 -7.551 -7.471 0.516 1.00 0.54 H new ATOM 0 HB3 TYR A 32 -6.567 -6.103 0.038 1.00 0.54 H new ATOM 0 HD1 TYR A 32 -6.427 -4.068 1.543 1.00 0.58 H new ATOM 0 HD2 TYR A 32 -8.404 -7.682 2.758 1.00 0.66 H new ATOM 0 HE1 TYR A 32 -6.339 -3.323 3.907 1.00 0.67 H new ATOM 0 HE2 TYR A 32 -8.314 -6.938 5.121 1.00 0.79 H new ATOM 0 HH TYR A 32 -8.175 -4.457 6.292 1.00 0.94 H new ATOM 518 N ALA A 33 -10.505 -7.055 0.830 1.00 0.40 N ATOM 519 CA ALA A 33 -11.733 -7.222 1.655 1.00 0.44 C ATOM 520 C ALA A 33 -11.461 -8.218 2.790 1.00 0.53 C ATOM 521 O ALA A 33 -10.535 -9.001 2.711 1.00 0.56 O ATOM 522 CB ALA A 33 -12.787 -7.774 0.695 1.00 0.49 C ATOM 0 H ALA A 33 -10.146 -7.910 0.405 1.00 0.40 H new ATOM 0 HA ALA A 33 -12.058 -6.289 2.115 1.00 0.44 H new ATOM 0 HB1 ALA A 33 -13.724 -7.924 1.231 1.00 0.49 H new ATOM 0 HB2 ALA A 33 -12.944 -7.066 -0.119 1.00 0.49 H new ATOM 0 HB3 ALA A 33 -12.445 -8.726 0.288 1.00 0.49 H new ATOM 528 N PRO A 34 -12.277 -8.163 3.812 1.00 0.63 N ATOM 529 CA PRO A 34 -12.109 -9.086 4.962 1.00 0.78 C ATOM 530 C PRO A 34 -12.463 -10.520 4.556 1.00 0.82 C ATOM 531 O PRO A 34 -12.122 -11.468 5.235 1.00 0.96 O ATOM 532 CB PRO A 34 -13.091 -8.550 6.000 1.00 0.90 C ATOM 533 CG PRO A 34 -14.124 -7.818 5.205 1.00 0.81 C ATOM 534 CD PRO A 34 -13.424 -7.262 3.995 1.00 0.66 C ATOM 0 HA PRO A 34 -11.085 -9.124 5.335 1.00 0.78 H new ATOM 0 HB2 PRO A 34 -13.537 -9.359 6.578 1.00 0.90 H new ATOM 0 HB3 PRO A 34 -12.595 -7.888 6.709 1.00 0.90 H new ATOM 0 HG2 PRO A 34 -14.932 -8.488 4.911 1.00 0.81 H new ATOM 0 HG3 PRO A 34 -14.571 -7.018 5.795 1.00 0.81 H new ATOM 0 HD2 PRO A 34 -14.075 -7.260 3.121 1.00 0.66 H new ATOM 0 HD3 PRO A 34 -13.103 -6.233 4.156 1.00 0.66 H new ATOM 542 N TRP A 35 -13.142 -10.690 3.453 1.00 0.74 N ATOM 543 CA TRP A 35 -13.511 -12.065 3.012 1.00 0.83 C ATOM 544 C TRP A 35 -12.638 -12.506 1.831 1.00 0.78 C ATOM 545 O TRP A 35 -12.629 -13.663 1.458 1.00 0.92 O ATOM 546 CB TRP A 35 -14.978 -11.969 2.590 1.00 0.91 C ATOM 547 CG TRP A 35 -15.114 -10.995 1.464 1.00 0.87 C ATOM 548 CD1 TRP A 35 -15.490 -9.704 1.597 1.00 0.84 C ATOM 549 CD2 TRP A 35 -14.883 -11.211 0.042 1.00 1.25 C ATOM 550 NE1 TRP A 35 -15.505 -9.112 0.346 1.00 0.85 N ATOM 551 CE2 TRP A 35 -15.138 -10.000 -0.644 1.00 1.19 C ATOM 552 CE3 TRP A 35 -14.480 -12.328 -0.713 1.00 1.84 C ATOM 553 CZ2 TRP A 35 -14.999 -9.901 -2.029 1.00 1.66 C ATOM 554 CZ3 TRP A 35 -14.340 -12.231 -2.108 1.00 2.36 C ATOM 555 CH2 TRP A 35 -14.598 -11.020 -2.763 1.00 2.26 C ATOM 0 H TRP A 35 -13.456 -9.938 2.840 1.00 0.74 H new ATOM 0 HA TRP A 35 -13.361 -12.800 3.803 1.00 0.83 H new ATOM 0 HB2 TRP A 35 -15.343 -12.949 2.282 1.00 0.91 H new ATOM 0 HB3 TRP A 35 -15.590 -11.652 3.435 1.00 0.91 H new ATOM 0 HD1 TRP A 35 -15.738 -9.214 2.527 1.00 0.84 H new ATOM 0 HE1 TRP A 35 -15.757 -8.138 0.177 1.00 0.85 H new ATOM 0 HE3 TRP A 35 -14.277 -13.266 -0.217 1.00 1.84 H new ATOM 0 HZ2 TRP A 35 -15.200 -8.966 -2.530 1.00 1.66 H new ATOM 0 HZ3 TRP A 35 -14.032 -13.095 -2.678 1.00 2.36 H new ATOM 0 HH2 TRP A 35 -14.487 -10.951 -3.835 1.00 2.26 H new ATOM 566 N CYS A 36 -11.900 -11.602 1.236 1.00 0.65 N ATOM 567 CA CYS A 36 -11.035 -11.995 0.086 1.00 0.67 C ATOM 568 C CYS A 36 -10.136 -13.171 0.484 1.00 0.84 C ATOM 569 O CYS A 36 -9.603 -13.214 1.575 1.00 1.63 O ATOM 570 CB CYS A 36 -10.198 -10.754 -0.222 1.00 0.58 C ATOM 571 SG CYS A 36 -9.100 -11.095 -1.617 1.00 1.07 S ATOM 0 H CYS A 36 -11.860 -10.616 1.496 1.00 0.65 H new ATOM 0 HA CYS A 36 -11.614 -12.317 -0.780 1.00 0.67 H new ATOM 0 HB2 CYS A 36 -10.850 -9.912 -0.456 1.00 0.58 H new ATOM 0 HB3 CYS A 36 -9.613 -10.471 0.653 1.00 0.58 H new ATOM 576 N GLY A 37 -9.974 -14.130 -0.386 1.00 0.96 N ATOM 577 CA GLY A 37 -9.121 -15.306 -0.047 1.00 1.08 C ATOM 578 C GLY A 37 -7.704 -15.098 -0.587 1.00 1.00 C ATOM 579 O GLY A 37 -6.735 -15.509 0.018 1.00 1.83 O ATOM 0 H GLY A 37 -10.394 -14.151 -1.315 1.00 0.96 H new ATOM 0 HA2 GLY A 37 -9.091 -15.444 1.034 1.00 1.08 H new ATOM 0 HA3 GLY A 37 -9.552 -16.213 -0.472 1.00 1.08 H new ATOM 583 N HIS A 38 -7.572 -14.471 -1.724 1.00 0.89 N ATOM 584 CA HIS A 38 -6.211 -14.250 -2.295 1.00 0.97 C ATOM 585 C HIS A 38 -5.574 -12.981 -1.716 1.00 0.88 C ATOM 586 O HIS A 38 -4.509 -12.570 -2.132 1.00 1.13 O ATOM 587 CB HIS A 38 -6.437 -14.095 -3.800 1.00 1.32 C ATOM 588 CG HIS A 38 -5.118 -14.193 -4.517 1.00 1.72 C ATOM 589 ND1 HIS A 38 -5.026 -14.175 -5.900 1.00 2.39 N ATOM 590 CD2 HIS A 38 -3.831 -14.312 -4.057 1.00 2.35 C ATOM 591 CE1 HIS A 38 -3.724 -14.278 -6.221 1.00 2.85 C ATOM 592 NE2 HIS A 38 -2.951 -14.365 -5.135 1.00 2.87 N ATOM 0 H HIS A 38 -8.343 -14.103 -2.281 1.00 0.89 H new ATOM 0 HA HIS A 38 -5.534 -15.071 -2.060 1.00 0.97 H new ATOM 0 HB2 HIS A 38 -7.116 -14.868 -4.158 1.00 1.32 H new ATOM 0 HB3 HIS A 38 -6.908 -13.135 -4.011 1.00 1.32 H new ATOM 0 HD2 HIS A 38 -3.544 -14.358 -3.017 1.00 2.35 H new ATOM 0 HE1 HIS A 38 -3.349 -14.289 -7.234 1.00 2.85 H new ATOM 0 HE2 HIS A 38 -1.935 -14.452 -5.102 1.00 2.87 H new ATOM 600 N CYS A 39 -6.206 -12.357 -0.759 1.00 0.79 N ATOM 601 CA CYS A 39 -5.617 -11.123 -0.166 1.00 0.88 C ATOM 602 C CYS A 39 -4.854 -11.466 1.116 1.00 0.82 C ATOM 603 O CYS A 39 -4.028 -10.704 1.579 1.00 1.00 O ATOM 604 CB CYS A 39 -6.811 -10.218 0.139 1.00 1.08 C ATOM 605 SG CYS A 39 -7.618 -9.747 -1.410 1.00 1.00 S ATOM 0 H CYS A 39 -7.101 -12.647 -0.364 1.00 0.79 H new ATOM 0 HA CYS A 39 -4.906 -10.640 -0.836 1.00 0.88 H new ATOM 0 HB2 CYS A 39 -7.518 -10.736 0.787 1.00 1.08 H new ATOM 0 HB3 CYS A 39 -6.480 -9.328 0.675 1.00 1.08 H new ATOM 610 N LYS A 40 -5.118 -12.608 1.695 1.00 0.78 N ATOM 611 CA LYS A 40 -4.399 -12.991 2.942 1.00 0.94 C ATOM 612 C LYS A 40 -3.085 -13.696 2.595 1.00 0.84 C ATOM 613 O LYS A 40 -2.140 -13.679 3.358 1.00 0.94 O ATOM 614 CB LYS A 40 -5.352 -13.936 3.685 1.00 1.21 C ATOM 615 CG LYS A 40 -5.542 -15.234 2.892 1.00 1.56 C ATOM 616 CD LYS A 40 -4.415 -16.208 3.231 1.00 2.11 C ATOM 617 CE LYS A 40 -5.011 -17.523 3.741 1.00 2.72 C ATOM 618 NZ LYS A 40 -5.442 -18.250 2.515 1.00 3.29 N ATOM 0 H LYS A 40 -5.799 -13.289 1.358 1.00 0.78 H new ATOM 0 HA LYS A 40 -4.140 -12.127 3.553 1.00 0.94 H new ATOM 0 HB2 LYS A 40 -4.953 -14.161 4.674 1.00 1.21 H new ATOM 0 HB3 LYS A 40 -6.316 -13.448 3.833 1.00 1.21 H new ATOM 0 HG2 LYS A 40 -6.507 -15.681 3.131 1.00 1.56 H new ATOM 0 HG3 LYS A 40 -5.545 -15.022 1.823 1.00 1.56 H new ATOM 0 HD2 LYS A 40 -3.802 -16.392 2.349 1.00 2.11 H new ATOM 0 HD3 LYS A 40 -3.762 -15.775 3.988 1.00 2.11 H new ATOM 0 HE2 LYS A 40 -4.275 -18.098 4.303 1.00 2.72 H new ATOM 0 HE3 LYS A 40 -5.853 -17.342 4.409 1.00 2.72 H new ATOM 0 HZ1 LYS A 40 -5.799 -19.191 2.777 1.00 3.29 H new ATOM 0 HZ2 LYS A 40 -6.196 -17.713 2.040 1.00 3.29 H new ATOM 0 HZ3 LYS A 40 -4.632 -18.354 1.871 1.00 3.29 H new ATOM 632 N ALA A 41 -3.015 -14.314 1.445 1.00 0.77 N ATOM 633 CA ALA A 41 -1.758 -15.015 1.054 1.00 0.86 C ATOM 634 C ALA A 41 -0.582 -14.036 1.089 1.00 0.75 C ATOM 635 O ALA A 41 0.551 -14.418 1.305 1.00 0.90 O ATOM 636 CB ALA A 41 -2.006 -15.508 -0.372 1.00 0.93 C ATOM 0 H ALA A 41 -3.771 -14.363 0.762 1.00 0.77 H new ATOM 0 HA ALA A 41 -1.511 -15.835 1.729 1.00 0.86 H new ATOM 0 HB1 ALA A 41 -1.124 -16.036 -0.733 1.00 0.93 H new ATOM 0 HB2 ALA A 41 -2.862 -16.183 -0.380 1.00 0.93 H new ATOM 0 HB3 ALA A 41 -2.210 -14.656 -1.021 1.00 0.93 H new ATOM 642 N LEU A 42 -0.844 -12.775 0.881 1.00 0.65 N ATOM 643 CA LEU A 42 0.255 -11.767 0.907 1.00 0.67 C ATOM 644 C LEU A 42 0.165 -10.902 2.173 1.00 0.63 C ATOM 645 O LEU A 42 1.029 -10.090 2.439 1.00 0.70 O ATOM 646 CB LEU A 42 0.037 -10.912 -0.342 1.00 0.82 C ATOM 647 CG LEU A 42 1.358 -10.259 -0.751 1.00 0.86 C ATOM 648 CD1 LEU A 42 2.197 -11.258 -1.550 1.00 1.24 C ATOM 649 CD2 LEU A 42 1.073 -9.028 -1.614 1.00 1.37 C ATOM 0 H LEU A 42 -1.773 -12.398 0.694 1.00 0.65 H new ATOM 0 HA LEU A 42 1.239 -12.235 0.917 1.00 0.67 H new ATOM 0 HB2 LEU A 42 -0.343 -11.529 -1.156 1.00 0.82 H new ATOM 0 HB3 LEU A 42 -0.714 -10.146 -0.145 1.00 0.82 H new ATOM 0 HG LEU A 42 1.905 -9.958 0.142 1.00 0.86 H new ATOM 0 HD11 LEU A 42 3.138 -10.792 -1.841 1.00 1.24 H new ATOM 0 HD12 LEU A 42 2.401 -12.135 -0.936 1.00 1.24 H new ATOM 0 HD13 LEU A 42 1.650 -11.560 -2.443 1.00 1.24 H new ATOM 0 HD21 LEU A 42 2.014 -8.562 -1.906 1.00 1.37 H new ATOM 0 HD22 LEU A 42 0.525 -9.329 -2.507 1.00 1.37 H new ATOM 0 HD23 LEU A 42 0.476 -8.315 -1.045 1.00 1.37 H new ATOM 661 N ALA A 43 -0.870 -11.069 2.958 1.00 0.71 N ATOM 662 CA ALA A 43 -1.006 -10.256 4.203 1.00 0.73 C ATOM 663 C ALA A 43 0.294 -10.289 5.020 1.00 0.67 C ATOM 664 O ALA A 43 0.856 -9.254 5.319 1.00 0.65 O ATOM 665 CB ALA A 43 -2.144 -10.916 4.981 1.00 0.88 C ATOM 0 H ALA A 43 -1.626 -11.733 2.790 1.00 0.71 H new ATOM 0 HA ALA A 43 -1.209 -9.207 3.985 1.00 0.73 H new ATOM 0 HB1 ALA A 43 -2.308 -10.376 5.914 1.00 0.88 H new ATOM 0 HB2 ALA A 43 -3.055 -10.893 4.383 1.00 0.88 H new ATOM 0 HB3 ALA A 43 -1.882 -11.951 5.202 1.00 0.88 H new ATOM 671 N PRO A 44 0.736 -11.479 5.359 1.00 0.69 N ATOM 672 CA PRO A 44 1.983 -11.618 6.150 1.00 0.70 C ATOM 673 C PRO A 44 3.213 -11.285 5.293 1.00 0.59 C ATOM 674 O PRO A 44 4.316 -11.186 5.793 1.00 0.65 O ATOM 675 CB PRO A 44 1.985 -13.085 6.568 1.00 0.83 C ATOM 676 CG PRO A 44 1.147 -13.782 5.542 1.00 0.84 C ATOM 677 CD PRO A 44 0.132 -12.785 5.046 1.00 0.76 C ATOM 0 HA PRO A 44 2.023 -10.939 7.002 1.00 0.70 H new ATOM 0 HB2 PRO A 44 2.998 -13.488 6.590 1.00 0.83 H new ATOM 0 HB3 PRO A 44 1.570 -13.211 7.568 1.00 0.83 H new ATOM 0 HG2 PRO A 44 1.766 -14.143 4.720 1.00 0.84 H new ATOM 0 HG3 PRO A 44 0.653 -14.652 5.975 1.00 0.84 H new ATOM 0 HD2 PRO A 44 -0.048 -12.896 3.977 1.00 0.76 H new ATOM 0 HD3 PRO A 44 -0.829 -12.911 5.545 1.00 0.76 H new ATOM 685 N GLU A 45 3.033 -11.096 4.013 1.00 0.53 N ATOM 686 CA GLU A 45 4.187 -10.752 3.142 1.00 0.46 C ATOM 687 C GLU A 45 4.260 -9.234 2.995 1.00 0.41 C ATOM 688 O GLU A 45 5.322 -8.650 2.917 1.00 0.47 O ATOM 689 CB GLU A 45 3.876 -11.415 1.800 1.00 0.48 C ATOM 690 CG GLU A 45 3.756 -12.929 1.991 1.00 0.61 C ATOM 691 CD GLU A 45 5.086 -13.484 2.505 1.00 1.12 C ATOM 692 OE1 GLU A 45 5.315 -13.406 3.700 1.00 1.90 O ATOM 693 OE2 GLU A 45 5.852 -13.978 1.693 1.00 1.83 O ATOM 0 H GLU A 45 2.134 -11.166 3.535 1.00 0.53 H new ATOM 0 HA GLU A 45 5.144 -11.090 3.540 1.00 0.46 H new ATOM 0 HB2 GLU A 45 2.948 -11.015 1.392 1.00 0.48 H new ATOM 0 HB3 GLU A 45 4.664 -11.190 1.081 1.00 0.48 H new ATOM 0 HG2 GLU A 45 2.958 -13.155 2.698 1.00 0.61 H new ATOM 0 HG3 GLU A 45 3.491 -13.406 1.047 1.00 0.61 H new ATOM 700 N TYR A 46 3.126 -8.595 2.971 1.00 0.43 N ATOM 701 CA TYR A 46 3.095 -7.114 2.844 1.00 0.48 C ATOM 702 C TYR A 46 3.400 -6.481 4.214 1.00 0.52 C ATOM 703 O TYR A 46 3.834 -5.349 4.301 1.00 0.69 O ATOM 704 CB TYR A 46 1.660 -6.822 2.345 1.00 0.64 C ATOM 705 CG TYR A 46 1.108 -5.530 2.913 1.00 0.72 C ATOM 706 CD1 TYR A 46 0.420 -5.529 4.134 1.00 1.03 C ATOM 707 CD2 TYR A 46 1.291 -4.333 2.214 1.00 1.02 C ATOM 708 CE1 TYR A 46 -0.080 -4.330 4.651 1.00 1.39 C ATOM 709 CE2 TYR A 46 0.791 -3.138 2.731 1.00 1.38 C ATOM 710 CZ TYR A 46 0.072 -3.159 3.972 1.00 1.50 C ATOM 711 OH TYR A 46 -0.388 -1.952 4.454 1.00 1.95 O ATOM 0 H TYR A 46 2.210 -9.040 3.035 1.00 0.43 H new ATOM 0 HA TYR A 46 3.836 -6.699 2.161 1.00 0.48 H new ATOM 0 HB2 TYR A 46 1.660 -6.768 1.256 1.00 0.64 H new ATOM 0 HB3 TYR A 46 1.005 -7.648 2.623 1.00 0.64 H new ATOM 0 HD1 TYR A 46 0.276 -6.453 4.675 1.00 1.03 H new ATOM 0 HD2 TYR A 46 1.820 -4.334 1.273 1.00 1.02 H new ATOM 0 HE1 TYR A 46 -0.593 -4.332 5.601 1.00 1.39 H new ATOM 0 HE2 TYR A 46 0.943 -2.208 2.203 1.00 1.38 H new ATOM 0 HH TYR A 46 -1.180 -2.103 5.011 1.00 1.95 H new ATOM 721 N ALA A 47 3.175 -7.203 5.279 1.00 0.53 N ATOM 722 CA ALA A 47 3.452 -6.639 6.631 1.00 0.62 C ATOM 723 C ALA A 47 4.920 -6.864 7.008 1.00 0.58 C ATOM 724 O ALA A 47 5.474 -6.161 7.829 1.00 0.68 O ATOM 725 CB ALA A 47 2.530 -7.407 7.579 1.00 0.73 C ATOM 0 H ALA A 47 2.812 -8.156 5.271 1.00 0.53 H new ATOM 0 HA ALA A 47 3.275 -5.564 6.674 1.00 0.62 H new ATOM 0 HB1 ALA A 47 2.675 -7.048 8.598 1.00 0.73 H new ATOM 0 HB2 ALA A 47 1.493 -7.251 7.284 1.00 0.73 H new ATOM 0 HB3 ALA A 47 2.764 -8.471 7.532 1.00 0.73 H new ATOM 731 N LYS A 48 5.554 -7.839 6.414 1.00 0.51 N ATOM 732 CA LYS A 48 6.984 -8.104 6.741 1.00 0.55 C ATOM 733 C LYS A 48 7.892 -7.178 5.926 1.00 0.53 C ATOM 734 O LYS A 48 8.927 -6.741 6.388 1.00 0.65 O ATOM 735 CB LYS A 48 7.216 -9.563 6.348 1.00 0.60 C ATOM 736 CG LYS A 48 7.658 -10.365 7.575 1.00 1.03 C ATOM 737 CD LYS A 48 6.659 -11.494 7.831 1.00 1.41 C ATOM 738 CE LYS A 48 6.972 -12.672 6.906 1.00 1.92 C ATOM 739 NZ LYS A 48 5.840 -13.622 7.093 1.00 2.47 N ATOM 0 H LYS A 48 5.144 -8.462 5.718 1.00 0.51 H new ATOM 0 HA LYS A 48 7.208 -7.925 7.793 1.00 0.55 H new ATOM 0 HB2 LYS A 48 6.301 -9.988 5.934 1.00 0.60 H new ATOM 0 HB3 LYS A 48 7.976 -9.623 5.569 1.00 0.60 H new ATOM 0 HG2 LYS A 48 8.655 -10.776 7.415 1.00 1.03 H new ATOM 0 HG3 LYS A 48 7.718 -9.713 8.447 1.00 1.03 H new ATOM 0 HD2 LYS A 48 6.712 -11.812 8.872 1.00 1.41 H new ATOM 0 HD3 LYS A 48 5.643 -11.141 7.657 1.00 1.41 H new ATOM 0 HE2 LYS A 48 7.048 -12.349 5.868 1.00 1.92 H new ATOM 0 HE3 LYS A 48 7.923 -13.136 7.166 1.00 1.92 H new ATOM 0 HZ1 LYS A 48 6.197 -14.598 7.057 1.00 2.47 H new ATOM 0 HZ2 LYS A 48 5.392 -13.451 8.016 1.00 2.47 H new ATOM 0 HZ3 LYS A 48 5.140 -13.481 6.337 1.00 2.47 H new ATOM 753 N ALA A 49 7.509 -6.874 4.715 1.00 0.47 N ATOM 754 CA ALA A 49 8.350 -5.976 3.873 1.00 0.50 C ATOM 755 C ALA A 49 8.571 -4.639 4.583 1.00 0.53 C ATOM 756 O ALA A 49 9.578 -3.984 4.398 1.00 0.65 O ATOM 757 CB ALA A 49 7.550 -5.774 2.585 1.00 0.55 C ATOM 0 H ALA A 49 6.652 -7.208 4.274 1.00 0.47 H new ATOM 0 HA ALA A 49 9.336 -6.398 3.678 1.00 0.50 H new ATOM 0 HB1 ALA A 49 8.105 -5.122 1.911 1.00 0.55 H new ATOM 0 HB2 ALA A 49 7.386 -6.738 2.104 1.00 0.55 H new ATOM 0 HB3 ALA A 49 6.589 -5.318 2.822 1.00 0.55 H new ATOM 763 N ALA A 50 7.637 -4.230 5.397 1.00 0.54 N ATOM 764 CA ALA A 50 7.794 -2.936 6.122 1.00 0.65 C ATOM 765 C ALA A 50 8.936 -3.036 7.137 1.00 0.65 C ATOM 766 O ALA A 50 9.550 -2.051 7.494 1.00 0.77 O ATOM 767 CB ALA A 50 6.459 -2.717 6.833 1.00 0.76 C ATOM 0 H ALA A 50 6.772 -4.735 5.592 1.00 0.54 H new ATOM 0 HA ALA A 50 8.037 -2.112 5.452 1.00 0.65 H new ATOM 0 HB1 ALA A 50 6.493 -1.782 7.391 1.00 0.76 H new ATOM 0 HB2 ALA A 50 5.657 -2.670 6.096 1.00 0.76 H new ATOM 0 HB3 ALA A 50 6.273 -3.543 7.520 1.00 0.76 H new ATOM 773 N GLY A 51 9.227 -4.221 7.602 1.00 0.59 N ATOM 774 CA GLY A 51 10.331 -4.381 8.590 1.00 0.69 C ATOM 775 C GLY A 51 11.673 -4.183 7.885 1.00 0.78 C ATOM 776 O GLY A 51 12.636 -3.729 8.472 1.00 0.90 O ATOM 0 H GLY A 51 8.749 -5.083 7.341 1.00 0.59 H new ATOM 0 HA2 GLY A 51 10.221 -3.656 9.397 1.00 0.69 H new ATOM 0 HA3 GLY A 51 10.288 -5.371 9.043 1.00 0.69 H new ATOM 780 N LYS A 52 11.742 -4.517 6.626 1.00 0.80 N ATOM 781 CA LYS A 52 13.021 -4.346 5.876 1.00 1.01 C ATOM 782 C LYS A 52 13.373 -2.859 5.747 1.00 1.12 C ATOM 783 O LYS A 52 14.471 -2.506 5.366 1.00 1.31 O ATOM 784 CB LYS A 52 12.755 -4.954 4.500 1.00 1.15 C ATOM 785 CG LYS A 52 13.107 -6.443 4.522 1.00 1.49 C ATOM 786 CD LYS A 52 13.897 -6.797 3.261 1.00 1.97 C ATOM 787 CE LYS A 52 14.405 -8.236 3.363 1.00 2.64 C ATOM 788 NZ LYS A 52 15.851 -8.109 3.699 1.00 3.08 N ATOM 0 H LYS A 52 10.969 -4.901 6.083 1.00 0.80 H new ATOM 0 HA LYS A 52 13.860 -4.825 6.381 1.00 1.01 H new ATOM 0 HB2 LYS A 52 11.708 -4.821 4.229 1.00 1.15 H new ATOM 0 HB3 LYS A 52 13.348 -4.441 3.743 1.00 1.15 H new ATOM 0 HG2 LYS A 52 13.695 -6.676 5.410 1.00 1.49 H new ATOM 0 HG3 LYS A 52 12.198 -7.042 4.575 1.00 1.49 H new ATOM 0 HD2 LYS A 52 13.265 -6.685 2.380 1.00 1.97 H new ATOM 0 HD3 LYS A 52 14.736 -6.112 3.141 1.00 1.97 H new ATOM 0 HE2 LYS A 52 13.868 -8.791 4.132 1.00 2.64 H new ATOM 0 HE3 LYS A 52 14.263 -8.773 2.425 1.00 2.64 H new ATOM 0 HZ1 LYS A 52 16.272 -9.056 3.786 1.00 3.08 H new ATOM 0 HZ2 LYS A 52 16.337 -7.582 2.946 1.00 3.08 H new ATOM 0 HZ3 LYS A 52 15.955 -7.600 4.600 1.00 3.08 H new ATOM 802 N LEU A 53 12.453 -1.983 6.059 1.00 1.12 N ATOM 803 CA LEU A 53 12.744 -0.520 5.951 1.00 1.33 C ATOM 804 C LEU A 53 13.179 0.004 7.317 1.00 1.30 C ATOM 805 O LEU A 53 14.126 0.754 7.440 1.00 1.50 O ATOM 806 CB LEU A 53 11.427 0.157 5.532 1.00 1.55 C ATOM 807 CG LEU A 53 10.694 -0.685 4.484 1.00 1.47 C ATOM 808 CD1 LEU A 53 9.379 -0.001 4.105 1.00 1.82 C ATOM 809 CD2 LEU A 53 11.571 -0.833 3.239 1.00 2.07 C ATOM 0 H LEU A 53 11.514 -2.216 6.383 1.00 1.12 H new ATOM 0 HA LEU A 53 13.537 -0.318 5.231 1.00 1.33 H new ATOM 0 HB2 LEU A 53 10.790 0.295 6.405 1.00 1.55 H new ATOM 0 HB3 LEU A 53 11.634 1.148 5.129 1.00 1.55 H new ATOM 0 HG LEU A 53 10.483 -1.671 4.897 1.00 1.47 H new ATOM 0 HD11 LEU A 53 8.858 -0.601 3.359 1.00 1.82 H new ATOM 0 HD12 LEU A 53 8.753 0.100 4.991 1.00 1.82 H new ATOM 0 HD13 LEU A 53 9.588 0.987 3.694 1.00 1.82 H new ATOM 0 HD21 LEU A 53 11.047 -1.433 2.494 1.00 2.07 H new ATOM 0 HD22 LEU A 53 11.785 0.153 2.826 1.00 2.07 H new ATOM 0 HD23 LEU A 53 12.506 -1.325 3.509 1.00 2.07 H new ATOM 821 N LYS A 54 12.482 -0.396 8.341 1.00 1.20 N ATOM 822 CA LYS A 54 12.830 0.064 9.719 1.00 1.35 C ATOM 823 C LYS A 54 14.327 -0.136 9.987 1.00 1.40 C ATOM 824 O LYS A 54 14.931 0.586 10.756 1.00 1.67 O ATOM 825 CB LYS A 54 11.996 -0.819 10.648 1.00 1.46 C ATOM 826 CG LYS A 54 12.273 -0.439 12.105 1.00 1.91 C ATOM 827 CD LYS A 54 11.007 -0.649 12.936 1.00 2.50 C ATOM 828 CE LYS A 54 11.048 -2.031 13.591 1.00 2.87 C ATOM 829 NZ LYS A 54 10.132 -1.929 14.761 1.00 3.88 N ATOM 0 H LYS A 54 11.681 -1.025 8.286 1.00 1.20 H new ATOM 0 HA LYS A 54 12.624 1.124 9.865 1.00 1.35 H new ATOM 0 HB2 LYS A 54 10.936 -0.698 10.426 1.00 1.46 H new ATOM 0 HB3 LYS A 54 12.239 -1.869 10.483 1.00 1.46 H new ATOM 0 HG2 LYS A 54 13.086 -1.046 12.502 1.00 1.91 H new ATOM 0 HG3 LYS A 54 12.593 0.601 12.166 1.00 1.91 H new ATOM 0 HD2 LYS A 54 10.928 0.125 13.700 1.00 2.50 H new ATOM 0 HD3 LYS A 54 10.125 -0.562 12.302 1.00 2.50 H new ATOM 0 HE2 LYS A 54 10.719 -2.806 12.899 1.00 2.87 H new ATOM 0 HE3 LYS A 54 12.060 -2.290 13.903 1.00 2.87 H new ATOM 0 HZ1 LYS A 54 10.107 -2.840 15.262 1.00 3.88 H new ATOM 0 HZ2 LYS A 54 10.474 -1.188 15.406 1.00 3.88 H new ATOM 0 HZ3 LYS A 54 9.175 -1.688 14.433 1.00 3.88 H new ATOM 843 N ALA A 55 14.929 -1.107 9.357 1.00 1.63 N ATOM 844 CA ALA A 55 16.384 -1.348 9.575 1.00 2.20 C ATOM 845 C ALA A 55 17.209 -0.259 8.885 1.00 2.03 C ATOM 846 O ALA A 55 18.305 0.060 9.299 1.00 2.38 O ATOM 847 CB ALA A 55 16.662 -2.712 8.940 1.00 2.78 C ATOM 0 H ALA A 55 14.477 -1.744 8.701 1.00 1.63 H new ATOM 0 HA ALA A 55 16.651 -1.329 10.632 1.00 2.20 H new ATOM 0 HB1 ALA A 55 17.716 -2.961 9.060 1.00 2.78 H new ATOM 0 HB2 ALA A 55 16.052 -3.472 9.428 1.00 2.78 H new ATOM 0 HB3 ALA A 55 16.416 -2.676 7.879 1.00 2.78 H new ATOM 853 N GLU A 56 16.687 0.317 7.838 1.00 1.67 N ATOM 854 CA GLU A 56 17.439 1.388 7.123 1.00 1.70 C ATOM 855 C GLU A 56 16.838 2.758 7.447 1.00 1.53 C ATOM 856 O GLU A 56 17.508 3.770 7.393 1.00 1.98 O ATOM 857 CB GLU A 56 17.271 1.067 5.638 1.00 1.99 C ATOM 858 CG GLU A 56 18.018 -0.226 5.305 1.00 2.69 C ATOM 859 CD GLU A 56 18.345 -0.258 3.811 1.00 3.21 C ATOM 860 OE1 GLU A 56 19.240 0.465 3.405 1.00 3.64 O ATOM 861 OE2 GLU A 56 17.695 -1.007 3.100 1.00 3.63 O ATOM 0 H GLU A 56 15.772 0.093 7.446 1.00 1.67 H new ATOM 0 HA GLU A 56 18.489 1.423 7.415 1.00 1.70 H new ATOM 0 HB2 GLU A 56 16.214 0.961 5.396 1.00 1.99 H new ATOM 0 HB3 GLU A 56 17.656 1.888 5.032 1.00 1.99 H new ATOM 0 HG2 GLU A 56 18.936 -0.289 5.890 1.00 2.69 H new ATOM 0 HG3 GLU A 56 17.409 -1.089 5.573 1.00 2.69 H new ATOM 868 N GLY A 57 15.577 2.797 7.782 1.00 1.58 N ATOM 869 CA GLY A 57 14.932 4.099 8.109 1.00 2.25 C ATOM 870 C GLY A 57 14.392 4.739 6.827 1.00 1.97 C ATOM 871 O GLY A 57 14.387 5.946 6.681 1.00 2.50 O ATOM 0 H GLY A 57 14.966 1.983 7.843 1.00 1.58 H new ATOM 0 HA2 GLY A 57 14.121 3.946 8.821 1.00 2.25 H new ATOM 0 HA3 GLY A 57 15.653 4.764 8.584 1.00 2.25 H new ATOM 875 N SER A 58 13.934 3.944 5.898 1.00 1.30 N ATOM 876 CA SER A 58 13.394 4.514 4.632 1.00 1.23 C ATOM 877 C SER A 58 12.159 5.370 4.926 1.00 1.03 C ATOM 878 O SER A 58 11.525 5.229 5.953 1.00 1.27 O ATOM 879 CB SER A 58 13.019 3.302 3.779 1.00 1.53 C ATOM 880 OG SER A 58 13.967 2.266 3.987 1.00 2.13 O ATOM 0 H SER A 58 13.911 2.926 5.961 1.00 1.30 H new ATOM 0 HA SER A 58 14.114 5.158 4.127 1.00 1.23 H new ATOM 0 HB2 SER A 58 12.020 2.954 4.042 1.00 1.53 H new ATOM 0 HB3 SER A 58 12.993 3.579 2.725 1.00 1.53 H new ATOM 0 HG SER A 58 13.726 1.488 3.442 1.00 2.13 H new ATOM 886 N GLU A 59 11.813 6.257 4.034 1.00 0.85 N ATOM 887 CA GLU A 59 10.621 7.118 4.263 1.00 0.87 C ATOM 888 C GLU A 59 9.422 6.595 3.465 1.00 0.76 C ATOM 889 O GLU A 59 8.441 7.286 3.276 1.00 1.06 O ATOM 890 CB GLU A 59 11.040 8.501 3.766 1.00 1.10 C ATOM 891 CG GLU A 59 11.442 8.417 2.292 1.00 1.05 C ATOM 892 CD GLU A 59 11.053 9.715 1.583 1.00 1.58 C ATOM 893 OE1 GLU A 59 9.903 10.107 1.697 1.00 2.13 O ATOM 894 OE2 GLU A 59 11.910 10.296 0.938 1.00 2.22 O ATOM 0 H GLU A 59 12.305 6.422 3.156 1.00 0.85 H new ATOM 0 HA GLU A 59 10.315 7.134 5.309 1.00 0.87 H new ATOM 0 HB2 GLU A 59 10.219 9.207 3.890 1.00 1.10 H new ATOM 0 HB3 GLU A 59 11.874 8.875 4.360 1.00 1.10 H new ATOM 0 HG2 GLU A 59 12.516 8.251 2.206 1.00 1.05 H new ATOM 0 HG3 GLU A 59 10.949 7.569 1.817 1.00 1.05 H new ATOM 901 N ILE A 60 9.491 5.378 2.997 1.00 0.59 N ATOM 902 CA ILE A 60 8.353 4.811 2.214 1.00 0.57 C ATOM 903 C ILE A 60 7.293 4.250 3.167 1.00 0.52 C ATOM 904 O ILE A 60 7.601 3.532 4.098 1.00 0.63 O ATOM 905 CB ILE A 60 8.969 3.698 1.356 1.00 0.68 C ATOM 906 CG1 ILE A 60 9.476 2.559 2.255 1.00 1.46 C ATOM 907 CG2 ILE A 60 10.134 4.269 0.543 1.00 1.34 C ATOM 908 CD1 ILE A 60 10.145 1.481 1.399 1.00 1.60 C ATOM 0 H ILE A 60 10.286 4.751 3.122 1.00 0.59 H new ATOM 0 HA ILE A 60 7.857 5.560 1.596 1.00 0.57 H new ATOM 0 HB ILE A 60 8.210 3.304 0.680 1.00 0.68 H new ATOM 0 HG12 ILE A 60 10.185 2.948 2.985 1.00 1.46 H new ATOM 0 HG13 ILE A 60 8.646 2.128 2.815 1.00 1.46 H new ATOM 0 HG21 ILE A 60 10.573 3.480 -0.067 1.00 1.34 H new ATOM 0 HG22 ILE A 60 9.770 5.067 -0.103 1.00 1.34 H new ATOM 0 HG23 ILE A 60 10.890 4.667 1.220 1.00 1.34 H new ATOM 0 HD11 ILE A 60 10.502 0.676 2.041 1.00 1.60 H new ATOM 0 HD12 ILE A 60 9.423 1.083 0.686 1.00 1.60 H new ATOM 0 HD13 ILE A 60 10.986 1.915 0.859 1.00 1.60 H new ATOM 920 N ARG A 61 6.047 4.579 2.953 1.00 0.45 N ATOM 921 CA ARG A 61 4.980 4.068 3.862 1.00 0.45 C ATOM 922 C ARG A 61 4.136 2.996 3.165 1.00 0.41 C ATOM 923 O ARG A 61 3.848 3.081 1.987 1.00 0.55 O ATOM 924 CB ARG A 61 4.123 5.292 4.185 1.00 0.51 C ATOM 925 CG ARG A 61 4.885 6.215 5.137 1.00 0.75 C ATOM 926 CD ARG A 61 4.223 6.186 6.516 1.00 0.97 C ATOM 927 NE ARG A 61 5.347 6.047 7.480 1.00 1.30 N ATOM 928 CZ ARG A 61 5.694 7.056 8.231 1.00 1.66 C ATOM 929 NH1 ARG A 61 4.819 7.608 9.028 1.00 2.21 N ATOM 930 NH2 ARG A 61 6.914 7.514 8.185 1.00 2.19 N ATOM 0 H ARG A 61 5.723 5.176 2.192 1.00 0.45 H new ATOM 0 HA ARG A 61 5.395 3.603 4.756 1.00 0.45 H new ATOM 0 HB2 ARG A 61 3.873 5.825 3.268 1.00 0.51 H new ATOM 0 HB3 ARG A 61 3.183 4.980 4.639 1.00 0.51 H new ATOM 0 HG2 ARG A 61 5.925 5.897 5.214 1.00 0.75 H new ATOM 0 HG3 ARG A 61 4.891 7.233 4.746 1.00 0.75 H new ATOM 0 HD2 ARG A 61 3.655 7.098 6.701 1.00 0.97 H new ATOM 0 HD3 ARG A 61 3.525 5.353 6.601 1.00 0.97 H new ATOM 0 HE ARG A 61 5.847 5.161 7.554 1.00 1.30 H new ATOM 0 HH11 ARG A 61 3.864 7.250 9.063 1.00 2.21 H new ATOM 0 HH12 ARG A 61 5.090 8.397 9.615 1.00 2.21 H new ATOM 0 HH21 ARG A 61 7.597 7.084 7.562 1.00 2.19 H new ATOM 0 HH22 ARG A 61 7.185 8.303 8.772 1.00 2.19 H new ATOM 944 N LEU A 62 3.728 1.990 3.894 1.00 0.35 N ATOM 945 CA LEU A 62 2.890 0.911 3.293 1.00 0.36 C ATOM 946 C LEU A 62 1.534 0.870 4.000 1.00 0.32 C ATOM 947 O LEU A 62 1.453 1.027 5.207 1.00 0.38 O ATOM 948 CB LEU A 62 3.663 -0.387 3.539 1.00 0.48 C ATOM 949 CG LEU A 62 5.095 -0.248 3.012 1.00 0.73 C ATOM 950 CD1 LEU A 62 5.836 -1.572 3.204 1.00 1.22 C ATOM 951 CD2 LEU A 62 5.063 0.108 1.524 1.00 1.59 C ATOM 0 H LEU A 62 3.940 1.869 4.884 1.00 0.35 H new ATOM 0 HA LEU A 62 2.703 1.068 2.231 1.00 0.36 H new ATOM 0 HB2 LEU A 62 3.679 -0.615 4.605 1.00 0.48 H new ATOM 0 HB3 LEU A 62 3.162 -1.218 3.043 1.00 0.48 H new ATOM 0 HG LEU A 62 5.609 0.542 3.560 1.00 0.73 H new ATOM 0 HD11 LEU A 62 6.855 -1.476 2.830 1.00 1.22 H new ATOM 0 HD12 LEU A 62 5.861 -1.825 4.264 1.00 1.22 H new ATOM 0 HD13 LEU A 62 5.321 -2.360 2.655 1.00 1.22 H new ATOM 0 HD21 LEU A 62 6.083 0.206 1.151 1.00 1.59 H new ATOM 0 HD22 LEU A 62 4.549 -0.680 0.972 1.00 1.59 H new ATOM 0 HD23 LEU A 62 4.534 1.051 1.387 1.00 1.59 H new ATOM 963 N ALA A 63 0.463 0.672 3.276 1.00 0.30 N ATOM 964 CA ALA A 63 -0.866 0.646 3.955 1.00 0.32 C ATOM 965 C ALA A 63 -1.887 -0.206 3.194 1.00 0.31 C ATOM 966 O ALA A 63 -1.643 -0.678 2.101 1.00 0.37 O ATOM 967 CB ALA A 63 -1.315 2.106 3.991 1.00 0.37 C ATOM 0 H ALA A 63 0.449 0.530 2.266 1.00 0.30 H new ATOM 0 HA ALA A 63 -0.791 0.200 4.947 1.00 0.32 H new ATOM 0 HB1 ALA A 63 -2.288 2.175 4.477 1.00 0.37 H new ATOM 0 HB2 ALA A 63 -0.588 2.697 4.549 1.00 0.37 H new ATOM 0 HB3 ALA A 63 -1.389 2.489 2.973 1.00 0.37 H new ATOM 973 N LYS A 64 -3.034 -0.404 3.787 1.00 0.30 N ATOM 974 CA LYS A 64 -4.095 -1.222 3.134 1.00 0.32 C ATOM 975 C LYS A 64 -5.478 -0.715 3.560 1.00 0.32 C ATOM 976 O LYS A 64 -5.648 -0.198 4.645 1.00 0.40 O ATOM 977 CB LYS A 64 -3.861 -2.650 3.634 1.00 0.38 C ATOM 978 CG LYS A 64 -4.062 -2.703 5.151 1.00 1.39 C ATOM 979 CD LYS A 64 -3.975 -4.154 5.630 1.00 1.60 C ATOM 980 CE LYS A 64 -4.145 -4.201 7.150 1.00 2.04 C ATOM 981 NZ LYS A 64 -3.682 -5.562 7.545 1.00 2.26 N ATOM 0 H LYS A 64 -3.282 -0.031 4.703 1.00 0.30 H new ATOM 0 HA LYS A 64 -4.056 -1.166 2.046 1.00 0.32 H new ATOM 0 HB2 LYS A 64 -4.550 -3.336 3.142 1.00 0.38 H new ATOM 0 HB3 LYS A 64 -2.852 -2.974 3.379 1.00 0.38 H new ATOM 0 HG2 LYS A 64 -3.304 -2.099 5.650 1.00 1.39 H new ATOM 0 HG3 LYS A 64 -5.031 -2.280 5.415 1.00 1.39 H new ATOM 0 HD2 LYS A 64 -4.747 -4.754 5.148 1.00 1.60 H new ATOM 0 HD3 LYS A 64 -3.014 -4.584 5.347 1.00 1.60 H new ATOM 0 HE2 LYS A 64 -3.554 -3.426 7.638 1.00 2.04 H new ATOM 0 HE3 LYS A 64 -5.184 -4.038 7.437 1.00 2.04 H new ATOM 0 HZ1 LYS A 64 -3.639 -5.627 8.582 1.00 2.26 H new ATOM 0 HZ2 LYS A 64 -4.347 -6.274 7.181 1.00 2.26 H new ATOM 0 HZ3 LYS A 64 -2.737 -5.736 7.148 1.00 2.26 H new ATOM 995 N VAL A 65 -6.464 -0.855 2.721 1.00 0.30 N ATOM 996 CA VAL A 65 -7.827 -0.372 3.095 1.00 0.32 C ATOM 997 C VAL A 65 -8.855 -1.492 2.918 1.00 0.31 C ATOM 998 O VAL A 65 -8.630 -2.456 2.214 1.00 0.36 O ATOM 999 CB VAL A 65 -8.125 0.800 2.144 1.00 0.40 C ATOM 1000 CG1 VAL A 65 -7.836 0.390 0.697 1.00 0.70 C ATOM 1001 CG2 VAL A 65 -9.600 1.211 2.267 1.00 0.45 C ATOM 0 H VAL A 65 -6.389 -1.280 1.797 1.00 0.30 H new ATOM 0 HA VAL A 65 -7.877 -0.061 4.138 1.00 0.32 H new ATOM 0 HB VAL A 65 -7.487 1.641 2.416 1.00 0.40 H new ATOM 0 HG11 VAL A 65 -8.050 1.227 0.032 1.00 0.70 H new ATOM 0 HG12 VAL A 65 -6.787 0.109 0.601 1.00 0.70 H new ATOM 0 HG13 VAL A 65 -8.465 -0.458 0.427 1.00 0.70 H new ATOM 0 HG21 VAL A 65 -9.804 2.041 1.591 1.00 0.45 H new ATOM 0 HG22 VAL A 65 -10.236 0.365 2.006 1.00 0.45 H new ATOM 0 HG23 VAL A 65 -9.808 1.518 3.292 1.00 0.45 H new ATOM 1011 N ASP A 66 -9.987 -1.361 3.553 1.00 0.35 N ATOM 1012 CA ASP A 66 -11.040 -2.405 3.424 1.00 0.39 C ATOM 1013 C ASP A 66 -12.097 -1.958 2.415 1.00 0.40 C ATOM 1014 O ASP A 66 -13.008 -1.221 2.736 1.00 0.44 O ATOM 1015 CB ASP A 66 -11.648 -2.535 4.822 1.00 0.47 C ATOM 1016 CG ASP A 66 -10.683 -3.301 5.730 1.00 0.67 C ATOM 1017 OD1 ASP A 66 -10.336 -4.419 5.386 1.00 1.30 O ATOM 1018 OD2 ASP A 66 -10.309 -2.756 6.757 1.00 1.38 O ATOM 0 H ASP A 66 -10.228 -0.575 4.156 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.641 -3.355 3.069 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -11.847 -1.547 5.237 1.00 0.47 H new ATOM 0 HB3 ASP A 66 -12.604 -3.056 4.767 1.00 0.47 H new ATOM 1023 N ALA A 67 -11.981 -2.401 1.193 1.00 0.40 N ATOM 1024 CA ALA A 67 -12.977 -2.006 0.154 1.00 0.46 C ATOM 1025 C ALA A 67 -14.395 -2.269 0.664 1.00 0.51 C ATOM 1026 O ALA A 67 -15.346 -1.639 0.246 1.00 0.57 O ATOM 1027 CB ALA A 67 -12.662 -2.892 -1.051 1.00 0.51 C ATOM 0 H ALA A 67 -11.239 -3.020 0.868 1.00 0.40 H new ATOM 0 HA ALA A 67 -12.921 -0.947 -0.097 1.00 0.46 H new ATOM 0 HB1 ALA A 67 -13.353 -2.663 -1.862 1.00 0.51 H new ATOM 0 HB2 ALA A 67 -11.640 -2.706 -1.382 1.00 0.51 H new ATOM 0 HB3 ALA A 67 -12.768 -3.940 -0.770 1.00 0.51 H new ATOM 1033 N THR A 68 -14.537 -3.188 1.579 1.00 0.53 N ATOM 1034 CA THR A 68 -15.885 -3.489 2.133 1.00 0.62 C ATOM 1035 C THR A 68 -16.199 -2.540 3.294 1.00 0.64 C ATOM 1036 O THR A 68 -17.333 -2.409 3.708 1.00 0.86 O ATOM 1037 CB THR A 68 -15.796 -4.931 2.632 1.00 0.66 C ATOM 1038 OG1 THR A 68 -14.811 -5.012 3.653 1.00 1.29 O ATOM 1039 CG2 THR A 68 -15.412 -5.851 1.472 1.00 1.35 C ATOM 0 H THR A 68 -13.775 -3.744 1.967 1.00 0.53 H new ATOM 0 HA THR A 68 -16.675 -3.362 1.392 1.00 0.62 H new ATOM 0 HB THR A 68 -16.762 -5.241 3.031 1.00 0.66 H new ATOM 0 HG1 THR A 68 -15.219 -5.355 4.475 1.00 1.29 H new ATOM 0 HG21 THR A 68 -15.349 -6.879 1.829 1.00 1.35 H new ATOM 0 HG22 THR A 68 -16.168 -5.784 0.689 1.00 1.35 H new ATOM 0 HG23 THR A 68 -14.446 -5.546 1.070 1.00 1.35 H new ATOM 1047 N GLU A 69 -15.206 -1.867 3.819 1.00 0.57 N ATOM 1048 CA GLU A 69 -15.461 -0.926 4.940 1.00 0.61 C ATOM 1049 C GLU A 69 -15.710 0.467 4.374 1.00 0.57 C ATOM 1050 O GLU A 69 -16.669 1.128 4.720 1.00 0.66 O ATOM 1051 CB GLU A 69 -14.185 -0.948 5.782 1.00 0.63 C ATOM 1052 CG GLU A 69 -14.504 -0.486 7.205 1.00 0.83 C ATOM 1053 CD GLU A 69 -13.515 -1.122 8.185 1.00 1.50 C ATOM 1054 OE1 GLU A 69 -12.886 -2.099 7.812 1.00 2.10 O ATOM 1055 OE2 GLU A 69 -13.403 -0.621 9.291 1.00 2.22 O ATOM 0 H GLU A 69 -14.234 -1.932 3.517 1.00 0.57 H new ATOM 0 HA GLU A 69 -16.332 -1.201 5.535 1.00 0.61 H new ATOM 0 HB2 GLU A 69 -13.766 -1.954 5.800 1.00 0.63 H new ATOM 0 HB3 GLU A 69 -13.432 -0.297 5.337 1.00 0.63 H new ATOM 0 HG2 GLU A 69 -14.445 0.601 7.267 1.00 0.83 H new ATOM 0 HG3 GLU A 69 -15.524 -0.766 7.469 1.00 0.83 H new ATOM 1062 N GLU A 70 -14.859 0.918 3.493 1.00 0.52 N ATOM 1063 CA GLU A 70 -15.071 2.271 2.902 1.00 0.57 C ATOM 1064 C GLU A 70 -15.635 2.159 1.477 1.00 0.72 C ATOM 1065 O GLU A 70 -16.626 2.780 1.145 1.00 1.34 O ATOM 1066 CB GLU A 70 -13.702 2.971 2.945 1.00 0.71 C ATOM 1067 CG GLU A 70 -12.639 2.218 2.133 1.00 1.05 C ATOM 1068 CD GLU A 70 -11.932 1.195 3.021 1.00 1.37 C ATOM 1069 OE1 GLU A 70 -12.467 0.880 4.071 1.00 1.89 O ATOM 1070 OE2 GLU A 70 -10.866 0.743 2.636 1.00 1.97 O ATOM 0 H GLU A 70 -14.036 0.416 3.160 1.00 0.52 H new ATOM 0 HA GLU A 70 -15.807 2.852 3.459 1.00 0.57 H new ATOM 0 HB2 GLU A 70 -13.802 3.985 2.557 1.00 0.71 H new ATOM 0 HB3 GLU A 70 -13.372 3.057 3.980 1.00 0.71 H new ATOM 0 HG2 GLU A 70 -13.105 1.716 1.285 1.00 1.05 H new ATOM 0 HG3 GLU A 70 -11.913 2.922 1.726 1.00 1.05 H new ATOM 1077 N SER A 71 -15.035 1.360 0.642 1.00 0.55 N ATOM 1078 CA SER A 71 -15.550 1.183 -0.754 1.00 0.66 C ATOM 1079 C SER A 71 -15.803 2.522 -1.465 1.00 0.70 C ATOM 1080 O SER A 71 -16.483 2.571 -2.471 1.00 0.94 O ATOM 1081 CB SER A 71 -16.864 0.433 -0.582 1.00 0.79 C ATOM 1082 OG SER A 71 -16.933 -0.624 -1.530 1.00 1.48 O ATOM 0 H SER A 71 -14.202 0.815 0.864 1.00 0.55 H new ATOM 0 HA SER A 71 -14.824 0.655 -1.372 1.00 0.66 H new ATOM 0 HB2 SER A 71 -16.938 0.034 0.430 1.00 0.79 H new ATOM 0 HB3 SER A 71 -17.704 1.114 -0.718 1.00 0.79 H new ATOM 0 HG SER A 71 -16.342 -1.354 -1.250 1.00 1.48 H new ATOM 1088 N ASP A 72 -15.258 3.599 -0.979 1.00 0.67 N ATOM 1089 CA ASP A 72 -15.468 4.908 -1.658 1.00 0.71 C ATOM 1090 C ASP A 72 -14.177 5.312 -2.361 1.00 0.68 C ATOM 1091 O ASP A 72 -14.183 5.813 -3.468 1.00 0.77 O ATOM 1092 CB ASP A 72 -15.807 5.892 -0.541 1.00 0.78 C ATOM 1093 CG ASP A 72 -16.620 7.056 -1.113 1.00 1.08 C ATOM 1094 OD1 ASP A 72 -17.242 6.867 -2.145 1.00 1.57 O ATOM 1095 OD2 ASP A 72 -16.607 8.115 -0.507 1.00 1.83 O ATOM 0 H ASP A 72 -14.676 3.631 -0.142 1.00 0.67 H new ATOM 0 HA ASP A 72 -16.258 4.876 -2.408 1.00 0.71 H new ATOM 0 HB2 ASP A 72 -16.375 5.388 0.241 1.00 0.78 H new ATOM 0 HB3 ASP A 72 -14.892 6.265 -0.081 1.00 0.78 H new ATOM 1100 N LEU A 73 -13.067 5.079 -1.722 1.00 0.63 N ATOM 1101 CA LEU A 73 -11.759 5.429 -2.342 1.00 0.68 C ATOM 1102 C LEU A 73 -11.399 4.379 -3.395 1.00 0.60 C ATOM 1103 O LEU A 73 -10.659 4.643 -4.322 1.00 0.64 O ATOM 1104 CB LEU A 73 -10.741 5.411 -1.195 1.00 0.83 C ATOM 1105 CG LEU A 73 -11.242 6.274 -0.028 1.00 0.79 C ATOM 1106 CD1 LEU A 73 -11.132 5.481 1.278 1.00 1.22 C ATOM 1107 CD2 LEU A 73 -10.390 7.539 0.076 1.00 0.97 C ATOM 0 H LEU A 73 -13.008 4.660 -0.794 1.00 0.63 H new ATOM 0 HA LEU A 73 -11.781 6.400 -2.837 1.00 0.68 H new ATOM 0 HB2 LEU A 73 -10.581 4.387 -0.857 1.00 0.83 H new ATOM 0 HB3 LEU A 73 -9.779 5.785 -1.547 1.00 0.83 H new ATOM 0 HG LEU A 73 -12.282 6.549 -0.203 1.00 0.79 H new ATOM 0 HD11 LEU A 73 -11.488 6.093 2.107 1.00 1.22 H new ATOM 0 HD12 LEU A 73 -11.739 4.578 1.208 1.00 1.22 H new ATOM 0 HD13 LEU A 73 -10.091 5.206 1.450 1.00 1.22 H new ATOM 0 HD21 LEU A 73 -10.747 8.151 0.905 1.00 0.97 H new ATOM 0 HD22 LEU A 73 -9.350 7.264 0.250 1.00 0.97 H new ATOM 0 HD23 LEU A 73 -10.465 8.106 -0.852 1.00 0.97 H new ATOM 1119 N ALA A 74 -11.925 3.189 -3.265 1.00 0.57 N ATOM 1120 CA ALA A 74 -11.619 2.127 -4.265 1.00 0.56 C ATOM 1121 C ALA A 74 -12.403 2.390 -5.550 1.00 0.59 C ATOM 1122 O ALA A 74 -11.879 2.291 -6.642 1.00 0.65 O ATOM 1123 CB ALA A 74 -12.078 0.822 -3.614 1.00 0.60 C ATOM 0 H ALA A 74 -12.552 2.908 -2.511 1.00 0.57 H new ATOM 0 HA ALA A 74 -10.562 2.095 -4.530 1.00 0.56 H new ATOM 0 HB1 ALA A 74 -11.885 -0.010 -4.291 1.00 0.60 H new ATOM 0 HB2 ALA A 74 -11.531 0.667 -2.684 1.00 0.60 H new ATOM 0 HB3 ALA A 74 -13.146 0.877 -3.402 1.00 0.60 H new ATOM 1129 N GLN A 75 -13.655 2.733 -5.426 1.00 0.64 N ATOM 1130 CA GLN A 75 -14.475 3.014 -6.638 1.00 0.76 C ATOM 1131 C GLN A 75 -13.899 4.217 -7.386 1.00 0.78 C ATOM 1132 O GLN A 75 -14.103 4.380 -8.572 1.00 0.86 O ATOM 1133 CB GLN A 75 -15.873 3.331 -6.105 1.00 0.87 C ATOM 1134 CG GLN A 75 -16.845 3.476 -7.277 1.00 1.42 C ATOM 1135 CD GLN A 75 -18.232 3.843 -6.746 1.00 1.83 C ATOM 1136 OE1 GLN A 75 -18.889 4.715 -7.278 1.00 2.35 O ATOM 1137 NE2 GLN A 75 -18.709 3.207 -5.711 1.00 2.40 N ATOM 0 H GLN A 75 -14.146 2.831 -4.537 1.00 0.64 H new ATOM 0 HA GLN A 75 -14.488 2.178 -7.337 1.00 0.76 H new ATOM 0 HB2 GLN A 75 -16.208 2.537 -5.437 1.00 0.87 H new ATOM 0 HB3 GLN A 75 -15.851 4.251 -5.521 1.00 0.87 H new ATOM 0 HG2 GLN A 75 -16.491 4.245 -7.964 1.00 1.42 H new ATOM 0 HG3 GLN A 75 -16.894 2.544 -7.840 1.00 1.42 H new ATOM 0 HE21 GLN A 75 -18.158 2.475 -5.264 1.00 2.40 H new ATOM 0 HE22 GLN A 75 -19.633 3.442 -5.349 1.00 2.40 H new ATOM 1146 N GLN A 76 -13.178 5.063 -6.700 1.00 0.76 N ATOM 1147 CA GLN A 76 -12.588 6.255 -7.370 1.00 0.84 C ATOM 1148 C GLN A 76 -11.469 5.828 -8.318 1.00 0.83 C ATOM 1149 O GLN A 76 -11.308 6.372 -9.393 1.00 0.94 O ATOM 1150 CB GLN A 76 -12.029 7.108 -6.235 1.00 0.89 C ATOM 1151 CG GLN A 76 -13.149 7.967 -5.647 1.00 1.14 C ATOM 1152 CD GLN A 76 -12.997 9.408 -6.135 1.00 1.49 C ATOM 1153 OE1 GLN A 76 -13.042 9.668 -7.322 1.00 2.20 O ATOM 1154 NE2 GLN A 76 -12.819 10.364 -5.266 1.00 1.97 N ATOM 0 H GLN A 76 -12.973 4.979 -5.704 1.00 0.76 H new ATOM 0 HA GLN A 76 -13.320 6.798 -7.967 1.00 0.84 H new ATOM 0 HB2 GLN A 76 -11.601 6.470 -5.462 1.00 0.89 H new ATOM 0 HB3 GLN A 76 -11.224 7.743 -6.605 1.00 0.89 H new ATOM 0 HG2 GLN A 76 -14.120 7.571 -5.945 1.00 1.14 H new ATOM 0 HG3 GLN A 76 -13.113 7.935 -4.558 1.00 1.14 H new ATOM 0 HE21 GLN A 76 -12.781 10.147 -4.270 1.00 1.97 H new ATOM 0 HE22 GLN A 76 -12.718 11.328 -5.582 1.00 1.97 H new ATOM 1163 N TYR A 77 -10.697 4.854 -7.929 1.00 0.74 N ATOM 1164 CA TYR A 77 -9.589 4.385 -8.803 1.00 0.81 C ATOM 1165 C TYR A 77 -10.094 3.276 -9.726 1.00 0.83 C ATOM 1166 O TYR A 77 -9.635 3.122 -10.840 1.00 1.00 O ATOM 1167 CB TYR A 77 -8.530 3.854 -7.838 1.00 0.80 C ATOM 1168 CG TYR A 77 -7.975 4.999 -7.027 1.00 0.81 C ATOM 1169 CD1 TYR A 77 -7.577 6.181 -7.664 1.00 1.42 C ATOM 1170 CD2 TYR A 77 -7.857 4.882 -5.636 1.00 1.18 C ATOM 1171 CE1 TYR A 77 -7.063 7.244 -6.913 1.00 1.56 C ATOM 1172 CE2 TYR A 77 -7.343 5.946 -4.885 1.00 1.19 C ATOM 1173 CZ TYR A 77 -6.946 7.127 -5.524 1.00 1.05 C ATOM 1174 OH TYR A 77 -6.439 8.176 -4.783 1.00 1.22 O ATOM 0 H TYR A 77 -10.786 4.361 -7.040 1.00 0.74 H new ATOM 0 HA TYR A 77 -9.191 5.173 -9.443 1.00 0.81 H new ATOM 0 HB2 TYR A 77 -8.966 3.104 -7.178 1.00 0.80 H new ATOM 0 HB3 TYR A 77 -7.729 3.364 -8.392 1.00 0.80 H new ATOM 0 HD1 TYR A 77 -7.667 6.272 -8.736 1.00 1.42 H new ATOM 0 HD2 TYR A 77 -8.163 3.971 -5.143 1.00 1.18 H new ATOM 0 HE1 TYR A 77 -6.757 8.155 -7.406 1.00 1.56 H new ATOM 0 HE2 TYR A 77 -7.253 5.856 -3.813 1.00 1.19 H new ATOM 0 HH TYR A 77 -5.461 8.123 -4.767 1.00 1.22 H new ATOM 1184 N GLY A 78 -11.041 2.506 -9.268 1.00 0.78 N ATOM 1185 CA GLY A 78 -11.581 1.408 -10.115 1.00 0.87 C ATOM 1186 C GLY A 78 -11.574 0.111 -9.312 1.00 0.88 C ATOM 1187 O GLY A 78 -12.609 -0.432 -8.980 1.00 1.52 O ATOM 0 H GLY A 78 -11.464 2.590 -8.344 1.00 0.78 H new ATOM 0 HA2 GLY A 78 -12.595 1.645 -10.438 1.00 0.87 H new ATOM 0 HA3 GLY A 78 -10.978 1.296 -11.016 1.00 0.87 H new ATOM 1191 N VAL A 79 -10.412 -0.389 -8.989 1.00 0.80 N ATOM 1192 CA VAL A 79 -10.334 -1.651 -8.197 1.00 0.79 C ATOM 1193 C VAL A 79 -11.236 -2.730 -8.813 1.00 1.13 C ATOM 1194 O VAL A 79 -12.414 -2.805 -8.527 1.00 1.54 O ATOM 1195 CB VAL A 79 -10.830 -1.257 -6.806 1.00 0.76 C ATOM 1196 CG1 VAL A 79 -10.921 -2.498 -5.921 1.00 1.30 C ATOM 1197 CG2 VAL A 79 -9.851 -0.260 -6.182 1.00 0.72 C ATOM 0 H VAL A 79 -9.513 0.022 -9.239 1.00 0.80 H new ATOM 0 HA VAL A 79 -9.328 -2.069 -8.174 1.00 0.79 H new ATOM 0 HB VAL A 79 -11.816 -0.800 -6.890 1.00 0.76 H new ATOM 0 HG11 VAL A 79 -11.275 -2.213 -4.930 1.00 1.30 H new ATOM 0 HG12 VAL A 79 -11.617 -3.211 -6.364 1.00 1.30 H new ATOM 0 HG13 VAL A 79 -9.936 -2.957 -5.836 1.00 1.30 H new ATOM 0 HG21 VAL A 79 -10.203 0.023 -5.190 1.00 0.72 H new ATOM 0 HG22 VAL A 79 -8.866 -0.720 -6.101 1.00 0.72 H new ATOM 0 HG23 VAL A 79 -9.786 0.628 -6.811 1.00 0.72 H new ATOM 1207 N ARG A 80 -10.692 -3.559 -9.662 1.00 1.27 N ATOM 1208 CA ARG A 80 -11.521 -4.622 -10.302 1.00 1.72 C ATOM 1209 C ARG A 80 -11.315 -5.968 -9.599 1.00 1.38 C ATOM 1210 O ARG A 80 -10.931 -6.945 -10.212 1.00 1.87 O ATOM 1211 CB ARG A 80 -11.026 -4.693 -11.747 1.00 2.38 C ATOM 1212 CG ARG A 80 -12.018 -3.972 -12.664 1.00 2.85 C ATOM 1213 CD ARG A 80 -13.190 -4.901 -12.983 1.00 3.49 C ATOM 1214 NE ARG A 80 -14.389 -4.017 -12.999 1.00 4.06 N ATOM 1215 CZ ARG A 80 -15.585 -4.539 -13.014 1.00 4.70 C ATOM 1216 NH1 ARG A 80 -16.045 -5.086 -14.105 1.00 5.25 N ATOM 1217 NH2 ARG A 80 -16.322 -4.514 -11.937 1.00 5.09 N ATOM 0 H ARG A 80 -9.711 -3.547 -9.940 1.00 1.27 H new ATOM 0 HA ARG A 80 -12.586 -4.399 -10.242 1.00 1.72 H new ATOM 0 HB2 ARG A 80 -10.041 -4.234 -11.828 1.00 2.38 H new ATOM 0 HB3 ARG A 80 -10.920 -5.733 -12.055 1.00 2.38 H new ATOM 0 HG2 ARG A 80 -12.381 -3.064 -12.182 1.00 2.85 H new ATOM 0 HG3 ARG A 80 -11.522 -3.667 -13.585 1.00 2.85 H new ATOM 0 HD2 ARG A 80 -13.051 -5.396 -13.944 1.00 3.49 H new ATOM 0 HD3 ARG A 80 -13.288 -5.685 -12.232 1.00 3.49 H new ATOM 0 HE ARG A 80 -14.275 -3.003 -12.998 1.00 4.06 H new ATOM 0 HH11 ARG A 80 -15.470 -5.106 -14.947 1.00 5.25 H new ATOM 0 HH12 ARG A 80 -16.980 -5.494 -14.116 1.00 5.25 H new ATOM 0 HH21 ARG A 80 -15.963 -4.086 -11.083 1.00 5.09 H new ATOM 0 HH22 ARG A 80 -17.257 -4.922 -11.949 1.00 5.09 H new ATOM 1231 N GLY A 81 -11.578 -6.034 -8.322 1.00 0.87 N ATOM 1232 CA GLY A 81 -11.405 -7.324 -7.594 1.00 0.81 C ATOM 1233 C GLY A 81 -10.151 -7.271 -6.720 1.00 0.74 C ATOM 1234 O GLY A 81 -9.153 -6.680 -7.082 1.00 1.17 O ATOM 0 H GLY A 81 -11.904 -5.253 -7.753 1.00 0.87 H new ATOM 0 HA2 GLY A 81 -12.281 -7.522 -6.976 1.00 0.81 H new ATOM 0 HA3 GLY A 81 -11.326 -8.145 -8.307 1.00 0.81 H new ATOM 1238 N TYR A 82 -10.196 -7.887 -5.570 1.00 0.61 N ATOM 1239 CA TYR A 82 -9.013 -7.879 -4.661 1.00 0.52 C ATOM 1240 C TYR A 82 -8.186 -9.158 -4.881 1.00 0.54 C ATOM 1241 O TYR A 82 -8.702 -10.128 -5.401 1.00 0.61 O ATOM 1242 CB TYR A 82 -9.586 -7.859 -3.232 1.00 0.59 C ATOM 1243 CG TYR A 82 -10.757 -6.903 -3.132 1.00 0.61 C ATOM 1244 CD1 TYR A 82 -10.618 -5.581 -3.574 1.00 0.64 C ATOM 1245 CD2 TYR A 82 -11.973 -7.334 -2.589 1.00 0.97 C ATOM 1246 CE1 TYR A 82 -11.694 -4.691 -3.474 1.00 0.68 C ATOM 1247 CE2 TYR A 82 -13.050 -6.445 -2.489 1.00 1.04 C ATOM 1248 CZ TYR A 82 -12.935 -5.149 -2.962 1.00 0.75 C ATOM 1249 OH TYR A 82 -13.969 -4.244 -2.830 1.00 0.85 O ATOM 0 H TYR A 82 -11.006 -8.398 -5.219 1.00 0.61 H new ATOM 0 HA TYR A 82 -8.362 -7.024 -4.843 1.00 0.52 H new ATOM 0 HB2 TYR A 82 -9.905 -8.862 -2.950 1.00 0.59 H new ATOM 0 HB3 TYR A 82 -8.808 -7.562 -2.528 1.00 0.59 H new ATOM 0 HD1 TYR A 82 -9.680 -5.248 -3.992 1.00 0.64 H new ATOM 0 HD2 TYR A 82 -12.081 -8.353 -2.247 1.00 0.97 H new ATOM 0 HE1 TYR A 82 -11.580 -3.663 -3.785 1.00 0.68 H new ATOM 0 HE2 TYR A 82 -13.976 -6.772 -2.040 1.00 1.04 H new ATOM 0 HH TYR A 82 -13.893 -3.556 -3.524 1.00 0.85 H new ATOM 1259 N PRO A 83 -6.924 -9.139 -4.487 1.00 0.54 N ATOM 1260 CA PRO A 83 -6.301 -7.948 -3.851 1.00 0.51 C ATOM 1261 C PRO A 83 -5.880 -6.931 -4.917 1.00 0.51 C ATOM 1262 O PRO A 83 -5.439 -7.289 -5.990 1.00 0.63 O ATOM 1263 CB PRO A 83 -5.075 -8.518 -3.149 1.00 0.59 C ATOM 1264 CG PRO A 83 -4.728 -9.767 -3.900 1.00 0.66 C ATOM 1265 CD PRO A 83 -5.974 -10.251 -4.603 1.00 0.64 C ATOM 0 HA PRO A 83 -6.976 -7.425 -3.174 1.00 0.51 H new ATOM 0 HB2 PRO A 83 -4.248 -7.808 -3.165 1.00 0.59 H new ATOM 0 HB3 PRO A 83 -5.288 -8.736 -2.102 1.00 0.59 H new ATOM 0 HG2 PRO A 83 -3.936 -9.570 -4.622 1.00 0.66 H new ATOM 0 HG3 PRO A 83 -4.355 -10.531 -3.218 1.00 0.66 H new ATOM 0 HD2 PRO A 83 -5.772 -10.491 -5.647 1.00 0.64 H new ATOM 0 HD3 PRO A 83 -6.365 -11.156 -4.138 1.00 0.64 H new ATOM 1273 N THR A 84 -6.004 -5.667 -4.623 1.00 0.45 N ATOM 1274 CA THR A 84 -5.601 -4.625 -5.613 1.00 0.45 C ATOM 1275 C THR A 84 -4.505 -3.746 -5.008 1.00 0.43 C ATOM 1276 O THR A 84 -4.738 -3.003 -4.076 1.00 0.52 O ATOM 1277 CB THR A 84 -6.861 -3.794 -5.895 1.00 0.48 C ATOM 1278 OG1 THR A 84 -8.021 -4.507 -5.483 1.00 0.67 O ATOM 1279 CG2 THR A 84 -6.951 -3.501 -7.393 1.00 0.56 C ATOM 0 H THR A 84 -6.367 -5.308 -3.740 1.00 0.45 H new ATOM 0 HA THR A 84 -5.209 -5.063 -6.531 1.00 0.45 H new ATOM 0 HB THR A 84 -6.802 -2.859 -5.338 1.00 0.48 H new ATOM 0 HG1 THR A 84 -8.240 -5.190 -6.151 1.00 0.67 H new ATOM 0 HG21 THR A 84 -7.845 -2.911 -7.595 1.00 0.56 H new ATOM 0 HG22 THR A 84 -6.069 -2.943 -7.708 1.00 0.56 H new ATOM 0 HG23 THR A 84 -7.003 -4.440 -7.945 1.00 0.56 H new ATOM 1287 N ILE A 85 -3.308 -3.832 -5.519 1.00 0.41 N ATOM 1288 CA ILE A 85 -2.198 -3.008 -4.953 1.00 0.41 C ATOM 1289 C ILE A 85 -2.115 -1.659 -5.673 1.00 0.41 C ATOM 1290 O ILE A 85 -2.449 -1.545 -6.836 1.00 0.54 O ATOM 1291 CB ILE A 85 -0.908 -3.807 -5.197 1.00 0.50 C ATOM 1292 CG1 ILE A 85 -1.110 -5.280 -4.824 1.00 0.89 C ATOM 1293 CG2 ILE A 85 0.217 -3.224 -4.342 1.00 0.80 C ATOM 1294 CD1 ILE A 85 -1.545 -5.380 -3.364 1.00 1.27 C ATOM 0 H ILE A 85 -3.049 -4.434 -6.301 1.00 0.41 H new ATOM 0 HA ILE A 85 -2.356 -2.808 -3.893 1.00 0.41 H new ATOM 0 HB ILE A 85 -0.650 -3.741 -6.254 1.00 0.50 H new ATOM 0 HG12 ILE A 85 -1.863 -5.730 -5.471 1.00 0.89 H new ATOM 0 HG13 ILE A 85 -0.185 -5.835 -4.978 1.00 0.89 H new ATOM 0 HG21 ILE A 85 1.134 -3.789 -4.513 1.00 0.80 H new ATOM 0 HG22 ILE A 85 0.377 -2.181 -4.614 1.00 0.80 H new ATOM 0 HG23 ILE A 85 -0.057 -3.286 -3.289 1.00 0.80 H new ATOM 0 HD11 ILE A 85 -1.689 -6.427 -3.098 1.00 1.27 H new ATOM 0 HD12 ILE A 85 -0.776 -4.946 -2.725 1.00 1.27 H new ATOM 0 HD13 ILE A 85 -2.481 -4.839 -3.225 1.00 1.27 H new ATOM 1306 N LYS A 86 -1.662 -0.639 -4.995 1.00 0.37 N ATOM 1307 CA LYS A 86 -1.546 0.698 -5.646 1.00 0.40 C ATOM 1308 C LYS A 86 -0.447 1.522 -4.970 1.00 0.38 C ATOM 1309 O LYS A 86 -0.215 1.411 -3.783 1.00 0.49 O ATOM 1310 CB LYS A 86 -2.908 1.363 -5.447 1.00 0.48 C ATOM 1311 CG LYS A 86 -3.310 2.094 -6.729 1.00 0.94 C ATOM 1312 CD LYS A 86 -4.452 1.339 -7.412 1.00 1.03 C ATOM 1313 CE LYS A 86 -4.374 1.556 -8.925 1.00 1.37 C ATOM 1314 NZ LYS A 86 -5.779 1.422 -9.405 1.00 1.73 N ATOM 0 H LYS A 86 -1.367 -0.674 -4.019 1.00 0.37 H new ATOM 0 HA LYS A 86 -1.284 0.618 -6.701 1.00 0.40 H new ATOM 0 HB2 LYS A 86 -3.657 0.613 -5.193 1.00 0.48 H new ATOM 0 HB3 LYS A 86 -2.864 2.065 -4.614 1.00 0.48 H new ATOM 0 HG2 LYS A 86 -3.621 3.113 -6.497 1.00 0.94 H new ATOM 0 HG3 LYS A 86 -2.455 2.167 -7.401 1.00 0.94 H new ATOM 0 HD2 LYS A 86 -4.387 0.275 -7.183 1.00 1.03 H new ATOM 0 HD3 LYS A 86 -5.412 1.689 -7.033 1.00 1.03 H new ATOM 0 HE2 LYS A 86 -3.967 2.539 -9.163 1.00 1.37 H new ATOM 0 HE3 LYS A 86 -3.723 0.820 -9.397 1.00 1.37 H new ATOM 0 HZ1 LYS A 86 -5.790 0.901 -10.305 1.00 1.73 H new ATOM 0 HZ2 LYS A 86 -6.340 0.905 -8.698 1.00 1.73 H new ATOM 0 HZ3 LYS A 86 -6.189 2.367 -9.548 1.00 1.73 H new ATOM 1328 N PHE A 87 0.228 2.348 -5.719 1.00 0.37 N ATOM 1329 CA PHE A 87 1.310 3.184 -5.122 1.00 0.36 C ATOM 1330 C PHE A 87 1.077 4.658 -5.461 1.00 0.33 C ATOM 1331 O PHE A 87 0.771 5.008 -6.583 1.00 0.37 O ATOM 1332 CB PHE A 87 2.609 2.676 -5.760 1.00 0.42 C ATOM 1333 CG PHE A 87 3.772 3.565 -5.365 1.00 0.46 C ATOM 1334 CD1 PHE A 87 3.858 4.090 -4.066 1.00 0.44 C ATOM 1335 CD2 PHE A 87 4.768 3.862 -6.303 1.00 0.81 C ATOM 1336 CE1 PHE A 87 4.938 4.910 -3.711 1.00 0.46 C ATOM 1337 CE2 PHE A 87 5.846 4.681 -5.946 1.00 0.97 C ATOM 1338 CZ PHE A 87 5.931 5.205 -4.651 1.00 0.72 C ATOM 0 H PHE A 87 0.078 2.481 -6.719 1.00 0.37 H new ATOM 0 HA PHE A 87 1.342 3.109 -4.035 1.00 0.36 H new ATOM 0 HB2 PHE A 87 2.802 1.651 -5.442 1.00 0.42 H new ATOM 0 HB3 PHE A 87 2.507 2.660 -6.845 1.00 0.42 H new ATOM 0 HD1 PHE A 87 3.092 3.862 -3.340 1.00 0.44 H new ATOM 0 HD2 PHE A 87 4.705 3.459 -7.303 1.00 0.81 H new ATOM 0 HE1 PHE A 87 5.003 5.314 -2.712 1.00 0.46 H new ATOM 0 HE2 PHE A 87 6.613 4.909 -6.671 1.00 0.97 H new ATOM 0 HZ PHE A 87 6.763 5.837 -4.378 1.00 0.72 H new ATOM 1348 N PHE A 88 1.210 5.521 -4.494 1.00 0.33 N ATOM 1349 CA PHE A 88 0.989 6.969 -4.755 1.00 0.35 C ATOM 1350 C PHE A 88 2.286 7.754 -4.544 1.00 0.42 C ATOM 1351 O PHE A 88 3.216 7.277 -3.923 1.00 0.61 O ATOM 1352 CB PHE A 88 -0.065 7.385 -3.732 1.00 0.39 C ATOM 1353 CG PHE A 88 -1.427 6.938 -4.205 1.00 0.42 C ATOM 1354 CD1 PHE A 88 -2.141 7.722 -5.118 1.00 0.54 C ATOM 1355 CD2 PHE A 88 -1.977 5.743 -3.727 1.00 0.63 C ATOM 1356 CE1 PHE A 88 -3.405 7.311 -5.556 1.00 0.62 C ATOM 1357 CE2 PHE A 88 -3.242 5.331 -4.165 1.00 0.73 C ATOM 1358 CZ PHE A 88 -3.950 6.101 -5.082 1.00 0.62 C ATOM 0 H PHE A 88 1.462 5.286 -3.534 1.00 0.33 H new ATOM 0 HA PHE A 88 0.671 7.165 -5.779 1.00 0.35 H new ATOM 0 HB2 PHE A 88 0.159 6.941 -2.762 1.00 0.39 H new ATOM 0 HB3 PHE A 88 -0.051 8.467 -3.599 1.00 0.39 H new ATOM 0 HD1 PHE A 88 -1.716 8.645 -5.485 1.00 0.54 H new ATOM 0 HD2 PHE A 88 -1.426 5.139 -3.021 1.00 0.63 H new ATOM 0 HE1 PHE A 88 -3.961 7.919 -6.255 1.00 0.62 H new ATOM 0 HE2 PHE A 88 -3.669 4.413 -3.790 1.00 0.73 H new ATOM 0 HZ PHE A 88 -4.918 5.771 -5.431 1.00 0.62 H new ATOM 1368 N ARG A 89 2.358 8.952 -5.055 1.00 0.47 N ATOM 1369 CA ARG A 89 3.597 9.763 -4.883 1.00 0.55 C ATOM 1370 C ARG A 89 3.245 11.215 -4.547 1.00 0.64 C ATOM 1371 O ARG A 89 2.754 11.954 -5.378 1.00 1.05 O ATOM 1372 CB ARG A 89 4.314 9.683 -6.230 1.00 0.73 C ATOM 1373 CG ARG A 89 5.780 10.082 -6.052 1.00 1.15 C ATOM 1374 CD ARG A 89 6.635 9.368 -7.101 1.00 1.42 C ATOM 1375 NE ARG A 89 7.571 10.411 -7.607 1.00 1.73 N ATOM 1376 CZ ARG A 89 7.652 10.650 -8.887 1.00 2.07 C ATOM 1377 NH1 ARG A 89 8.104 9.730 -9.695 1.00 2.56 N ATOM 1378 NH2 ARG A 89 7.281 11.809 -9.359 1.00 2.43 N ATOM 0 H ARG A 89 1.613 9.405 -5.584 1.00 0.47 H new ATOM 0 HA ARG A 89 4.218 9.394 -4.067 1.00 0.55 H new ATOM 0 HB2 ARG A 89 4.247 8.671 -6.630 1.00 0.73 H new ATOM 0 HB3 ARG A 89 3.831 10.343 -6.951 1.00 0.73 H new ATOM 0 HG2 ARG A 89 5.889 11.162 -6.153 1.00 1.15 H new ATOM 0 HG3 ARG A 89 6.120 9.819 -5.050 1.00 1.15 H new ATOM 0 HD2 ARG A 89 7.177 8.529 -6.665 1.00 1.42 H new ATOM 0 HD3 ARG A 89 6.019 8.966 -7.905 1.00 1.42 H new ATOM 0 HE ARG A 89 8.149 10.938 -6.952 1.00 1.73 H new ATOM 0 HH11 ARG A 89 8.394 8.824 -9.326 1.00 2.56 H new ATOM 0 HH12 ARG A 89 8.167 9.917 -10.696 1.00 2.56 H new ATOM 0 HH21 ARG A 89 6.928 12.528 -8.727 1.00 2.43 H new ATOM 0 HH22 ARG A 89 7.344 11.996 -10.360 1.00 2.43 H new ATOM 1392 N ASN A 90 3.498 11.629 -3.336 1.00 0.57 N ATOM 1393 CA ASN A 90 3.186 13.035 -2.941 1.00 0.68 C ATOM 1394 C ASN A 90 1.742 13.390 -3.306 1.00 0.69 C ATOM 1395 O ASN A 90 1.485 14.365 -3.984 1.00 0.98 O ATOM 1396 CB ASN A 90 4.168 13.895 -3.737 1.00 0.87 C ATOM 1397 CG ASN A 90 4.048 15.353 -3.289 1.00 1.10 C ATOM 1398 OD1 ASN A 90 3.157 15.698 -2.538 1.00 1.65 O ATOM 1399 ND2 ASN A 90 4.914 16.229 -3.719 1.00 1.74 N ATOM 0 H ASN A 90 3.908 11.054 -2.600 1.00 0.57 H new ATOM 0 HA ASN A 90 3.282 13.189 -1.866 1.00 0.68 H new ATOM 0 HB2 ASN A 90 5.187 13.539 -3.584 1.00 0.87 H new ATOM 0 HB3 ASN A 90 3.959 13.813 -4.804 1.00 0.87 H new ATOM 0 HD21 ASN A 90 4.843 17.203 -3.425 1.00 1.74 H new ATOM 0 HD22 ASN A 90 5.662 15.940 -4.349 1.00 1.74 H new ATOM 1406 N GLY A 91 0.796 12.611 -2.855 1.00 0.65 N ATOM 1407 CA GLY A 91 -0.630 12.909 -3.170 1.00 0.75 C ATOM 1408 C GLY A 91 -0.810 13.034 -4.685 1.00 0.79 C ATOM 1409 O GLY A 91 -0.641 14.094 -5.255 1.00 1.19 O ATOM 0 H GLY A 91 0.949 11.781 -2.282 1.00 0.65 H new ATOM 0 HA2 GLY A 91 -1.271 12.117 -2.782 1.00 0.75 H new ATOM 0 HA3 GLY A 91 -0.935 13.834 -2.681 1.00 0.75 H new ATOM 1413 N ASP A 92 -1.155 11.960 -5.338 1.00 0.90 N ATOM 1414 CA ASP A 92 -1.350 12.017 -6.816 1.00 1.27 C ATOM 1415 C ASP A 92 -2.845 12.058 -7.149 1.00 1.14 C ATOM 1416 O ASP A 92 -3.317 12.955 -7.818 1.00 1.70 O ATOM 1417 CB ASP A 92 -0.714 10.734 -7.349 1.00 1.93 C ATOM 1418 CG ASP A 92 -0.450 10.879 -8.849 1.00 2.15 C ATOM 1419 OD1 ASP A 92 -1.163 11.639 -9.483 1.00 2.68 O ATOM 1420 OD2 ASP A 92 0.459 10.229 -9.336 1.00 2.41 O ATOM 0 H ASP A 92 -1.311 11.045 -4.914 1.00 0.90 H new ATOM 0 HA ASP A 92 -0.902 12.906 -7.260 1.00 1.27 H new ATOM 0 HB2 ASP A 92 0.219 10.532 -6.823 1.00 1.93 H new ATOM 0 HB3 ASP A 92 -1.373 9.886 -7.166 1.00 1.93 H new ATOM 1425 N THR A 93 -3.592 11.094 -6.683 1.00 0.96 N ATOM 1426 CA THR A 93 -5.059 11.076 -6.969 1.00 1.33 C ATOM 1427 C THR A 93 -5.310 11.241 -8.471 1.00 1.26 C ATOM 1428 O THR A 93 -6.360 11.686 -8.891 1.00 1.90 O ATOM 1429 CB THR A 93 -5.652 12.263 -6.193 1.00 1.74 C ATOM 1430 OG1 THR A 93 -4.729 12.722 -5.212 1.00 2.10 O ATOM 1431 CG2 THR A 93 -6.942 11.819 -5.504 1.00 1.92 C ATOM 0 H THR A 93 -3.252 10.317 -6.116 1.00 0.96 H new ATOM 0 HA THR A 93 -5.516 10.133 -6.668 1.00 1.33 H new ATOM 0 HB THR A 93 -5.861 13.075 -6.890 1.00 1.74 H new ATOM 0 HG1 THR A 93 -5.118 13.479 -4.726 1.00 2.10 H new ATOM 0 HG21 THR A 93 -7.367 12.657 -4.952 1.00 1.92 H new ATOM 0 HG22 THR A 93 -7.656 11.479 -6.254 1.00 1.92 H new ATOM 0 HG23 THR A 93 -6.724 11.004 -4.814 1.00 1.92 H new ATOM 1439 N ALA A 94 -4.354 10.883 -9.282 1.00 1.18 N ATOM 1440 CA ALA A 94 -4.536 11.016 -10.757 1.00 1.18 C ATOM 1441 C ALA A 94 -3.841 9.861 -11.479 1.00 1.14 C ATOM 1442 O ALA A 94 -4.473 8.933 -11.943 1.00 1.48 O ATOM 1443 CB ALA A 94 -3.881 12.349 -11.120 1.00 1.24 C ATOM 0 H ALA A 94 -3.454 10.504 -8.988 1.00 1.18 H new ATOM 0 HA ALA A 94 -5.586 10.987 -11.048 1.00 1.18 H new ATOM 0 HB1 ALA A 94 -3.973 12.520 -12.193 1.00 1.24 H new ATOM 0 HB2 ALA A 94 -4.376 13.156 -10.580 1.00 1.24 H new ATOM 0 HB3 ALA A 94 -2.826 12.323 -10.846 1.00 1.24 H new ATOM 1449 N SER A 95 -2.542 9.910 -11.574 1.00 1.20 N ATOM 1450 CA SER A 95 -1.802 8.815 -12.263 1.00 1.22 C ATOM 1451 C SER A 95 -0.880 8.096 -11.269 1.00 0.98 C ATOM 1452 O SER A 95 0.318 8.293 -11.285 1.00 0.98 O ATOM 1453 CB SER A 95 -0.984 9.514 -13.350 1.00 1.48 C ATOM 1454 OG SER A 95 -1.124 8.806 -14.574 1.00 2.01 O ATOM 0 H SER A 95 -1.960 10.661 -11.204 1.00 1.20 H new ATOM 0 HA SER A 95 -2.469 8.060 -12.680 1.00 1.22 H new ATOM 0 HB2 SER A 95 -1.323 10.543 -13.471 1.00 1.48 H new ATOM 0 HB3 SER A 95 0.066 9.557 -13.060 1.00 1.48 H new ATOM 0 HG SER A 95 -0.602 9.253 -15.272 1.00 2.01 H new ATOM 1460 N PRO A 96 -1.471 7.281 -10.427 1.00 0.87 N ATOM 1461 CA PRO A 96 -0.682 6.533 -9.417 1.00 0.72 C ATOM 1462 C PRO A 96 0.128 5.417 -10.085 1.00 0.65 C ATOM 1463 O PRO A 96 -0.066 5.103 -11.243 1.00 0.79 O ATOM 1464 CB PRO A 96 -1.742 5.950 -8.488 1.00 0.79 C ATOM 1465 CG PRO A 96 -2.983 5.870 -9.319 1.00 0.97 C ATOM 1466 CD PRO A 96 -2.909 6.982 -10.331 1.00 1.02 C ATOM 0 HA PRO A 96 0.039 7.160 -8.893 1.00 0.72 H new ATOM 0 HB2 PRO A 96 -1.448 4.966 -8.122 1.00 0.79 H new ATOM 0 HB3 PRO A 96 -1.892 6.584 -7.614 1.00 0.79 H new ATOM 0 HG2 PRO A 96 -3.053 4.902 -9.815 1.00 0.97 H new ATOM 0 HG3 PRO A 96 -3.871 5.974 -8.696 1.00 0.97 H new ATOM 0 HD2 PRO A 96 -3.318 6.674 -11.293 1.00 1.02 H new ATOM 0 HD3 PRO A 96 -3.477 7.854 -10.008 1.00 1.02 H new ATOM 1474 N LYS A 97 1.030 4.815 -9.360 1.00 0.55 N ATOM 1475 CA LYS A 97 1.850 3.718 -9.950 1.00 0.57 C ATOM 1476 C LYS A 97 1.259 2.358 -9.572 1.00 0.53 C ATOM 1477 O LYS A 97 0.904 2.118 -8.435 1.00 0.89 O ATOM 1478 CB LYS A 97 3.240 3.887 -9.332 1.00 0.68 C ATOM 1479 CG LYS A 97 4.213 4.397 -10.397 1.00 0.85 C ATOM 1480 CD LYS A 97 5.587 3.758 -10.181 1.00 1.63 C ATOM 1481 CE LYS A 97 6.505 4.114 -11.351 1.00 2.05 C ATOM 1482 NZ LYS A 97 7.882 3.824 -10.861 1.00 2.61 N ATOM 0 H LYS A 97 1.235 5.035 -8.385 1.00 0.55 H new ATOM 0 HA LYS A 97 1.879 3.762 -11.039 1.00 0.57 H new ATOM 0 HB2 LYS A 97 3.196 4.588 -8.498 1.00 0.68 H new ATOM 0 HB3 LYS A 97 3.589 2.936 -8.931 1.00 0.68 H new ATOM 0 HG2 LYS A 97 3.840 4.154 -11.392 1.00 0.85 H new ATOM 0 HG3 LYS A 97 4.292 5.483 -10.342 1.00 0.85 H new ATOM 0 HD2 LYS A 97 6.020 4.110 -9.245 1.00 1.63 H new ATOM 0 HD3 LYS A 97 5.488 2.676 -10.099 1.00 1.63 H new ATOM 0 HE2 LYS A 97 6.267 3.521 -12.234 1.00 2.05 H new ATOM 0 HE3 LYS A 97 6.398 5.162 -11.632 1.00 2.05 H new ATOM 0 HZ1 LYS A 97 8.570 4.044 -11.609 1.00 2.61 H new ATOM 0 HZ2 LYS A 97 8.083 4.408 -10.024 1.00 2.61 H new ATOM 0 HZ3 LYS A 97 7.956 2.818 -10.607 1.00 2.61 H new ATOM 1496 N GLU A 98 1.148 1.466 -10.517 1.00 0.51 N ATOM 1497 CA GLU A 98 0.579 0.124 -10.210 1.00 0.48 C ATOM 1498 C GLU A 98 1.704 -0.872 -9.916 1.00 0.45 C ATOM 1499 O GLU A 98 2.812 -0.728 -10.391 1.00 0.61 O ATOM 1500 CB GLU A 98 -0.180 -0.284 -11.474 1.00 0.61 C ATOM 1501 CG GLU A 98 -1.066 -1.493 -11.172 1.00 1.33 C ATOM 1502 CD GLU A 98 -2.495 -1.020 -10.893 1.00 2.10 C ATOM 1503 OE1 GLU A 98 -3.082 -0.418 -11.777 1.00 2.79 O ATOM 1504 OE2 GLU A 98 -2.978 -1.267 -9.800 1.00 2.61 O ATOM 0 H GLU A 98 1.427 1.608 -11.488 1.00 0.51 H new ATOM 0 HA GLU A 98 -0.068 0.141 -9.333 1.00 0.48 H new ATOM 0 HB2 GLU A 98 -0.790 0.547 -11.828 1.00 0.61 H new ATOM 0 HB3 GLU A 98 0.523 -0.526 -12.271 1.00 0.61 H new ATOM 0 HG2 GLU A 98 -1.058 -2.183 -12.016 1.00 1.33 H new ATOM 0 HG3 GLU A 98 -0.677 -2.037 -10.311 1.00 1.33 H new ATOM 1511 N TYR A 99 1.429 -1.880 -9.135 1.00 0.45 N ATOM 1512 CA TYR A 99 2.485 -2.881 -8.812 1.00 0.46 C ATOM 1513 C TYR A 99 2.512 -3.983 -9.875 1.00 0.53 C ATOM 1514 O TYR A 99 1.523 -4.644 -10.121 1.00 0.67 O ATOM 1515 CB TYR A 99 2.085 -3.456 -7.454 1.00 0.52 C ATOM 1516 CG TYR A 99 3.233 -3.305 -6.485 1.00 0.64 C ATOM 1517 CD1 TYR A 99 4.370 -4.112 -6.615 1.00 1.20 C ATOM 1518 CD2 TYR A 99 3.162 -2.357 -5.458 1.00 1.58 C ATOM 1519 CE1 TYR A 99 5.435 -3.971 -5.718 1.00 1.49 C ATOM 1520 CE2 TYR A 99 4.227 -2.216 -4.561 1.00 2.05 C ATOM 1521 CZ TYR A 99 5.361 -3.024 -4.687 1.00 1.70 C ATOM 1522 OH TYR A 99 6.414 -2.884 -3.806 1.00 2.27 O ATOM 0 H TYR A 99 0.520 -2.054 -8.707 1.00 0.45 H new ATOM 0 HA TYR A 99 3.480 -2.438 -8.789 1.00 0.46 H new ATOM 0 HB2 TYR A 99 1.204 -2.939 -7.074 1.00 0.52 H new ATOM 0 HB3 TYR A 99 1.818 -4.508 -7.557 1.00 0.52 H new ATOM 0 HD1 TYR A 99 4.425 -4.843 -7.408 1.00 1.20 H new ATOM 0 HD2 TYR A 99 2.285 -1.734 -5.358 1.00 1.58 H new ATOM 0 HE1 TYR A 99 6.313 -4.591 -5.820 1.00 1.49 H new ATOM 0 HE2 TYR A 99 4.173 -1.482 -3.770 1.00 2.05 H new ATOM 0 HH TYR A 99 6.075 -2.590 -2.935 1.00 2.27 H new ATOM 1532 N THR A 100 3.637 -4.185 -10.505 1.00 0.60 N ATOM 1533 CA THR A 100 3.725 -5.246 -11.549 1.00 0.72 C ATOM 1534 C THR A 100 4.116 -6.591 -10.920 1.00 0.83 C ATOM 1535 O THR A 100 4.445 -7.534 -11.611 1.00 1.71 O ATOM 1536 CB THR A 100 4.814 -4.766 -12.510 1.00 0.93 C ATOM 1537 OG1 THR A 100 5.860 -4.154 -11.768 1.00 1.36 O ATOM 1538 CG2 THR A 100 4.224 -3.754 -13.493 1.00 1.13 C ATOM 0 H THR A 100 4.498 -3.662 -10.343 1.00 0.60 H new ATOM 0 HA THR A 100 2.772 -5.403 -12.055 1.00 0.72 H new ATOM 0 HB THR A 100 5.209 -5.617 -13.065 1.00 0.93 H new ATOM 0 HG1 THR A 100 6.560 -3.847 -12.381 1.00 1.36 H new ATOM 0 HG21 THR A 100 5.002 -3.414 -14.176 1.00 1.13 H new ATOM 0 HG22 THR A 100 3.422 -4.224 -14.062 1.00 1.13 H new ATOM 0 HG23 THR A 100 3.827 -2.901 -12.943 1.00 1.13 H new ATOM 1546 N ALA A 101 4.083 -6.688 -9.616 1.00 0.83 N ATOM 1547 CA ALA A 101 4.452 -7.973 -8.956 1.00 1.01 C ATOM 1548 C ALA A 101 3.406 -8.338 -7.898 1.00 1.36 C ATOM 1549 O ALA A 101 2.243 -8.008 -8.024 1.00 1.98 O ATOM 1550 CB ALA A 101 5.808 -7.707 -8.303 1.00 0.87 C ATOM 0 H ALA A 101 3.817 -5.934 -8.982 1.00 0.83 H new ATOM 0 HA ALA A 101 4.497 -8.804 -9.660 1.00 1.01 H new ATOM 0 HB1 ALA A 101 6.150 -8.608 -7.794 1.00 0.87 H new ATOM 0 HB2 ALA A 101 6.531 -7.426 -9.068 1.00 0.87 H new ATOM 0 HB3 ALA A 101 5.711 -6.897 -7.580 1.00 0.87 H new ATOM 1556 N GLY A 102 3.807 -9.016 -6.857 1.00 1.17 N ATOM 1557 CA GLY A 102 2.830 -9.395 -5.797 1.00 1.71 C ATOM 1558 C GLY A 102 2.940 -10.894 -5.511 1.00 1.08 C ATOM 1559 O GLY A 102 2.423 -11.714 -6.242 1.00 1.27 O ATOM 0 H GLY A 102 4.766 -9.323 -6.695 1.00 1.17 H new ATOM 0 HA2 GLY A 102 3.025 -8.826 -4.888 1.00 1.71 H new ATOM 0 HA3 GLY A 102 1.817 -9.149 -6.116 1.00 1.71 H new ATOM 1563 N ARG A 103 3.609 -11.256 -4.451 1.00 0.90 N ATOM 1564 CA ARG A 103 3.752 -12.701 -4.116 1.00 1.11 C ATOM 1565 C ARG A 103 4.378 -12.860 -2.730 1.00 0.94 C ATOM 1566 O ARG A 103 3.975 -13.696 -1.945 1.00 1.04 O ATOM 1567 CB ARG A 103 4.677 -13.269 -5.192 1.00 1.71 C ATOM 1568 CG ARG A 103 4.692 -14.797 -5.101 1.00 2.44 C ATOM 1569 CD ARG A 103 4.366 -15.392 -6.473 1.00 3.16 C ATOM 1570 NE ARG A 103 5.473 -16.350 -6.749 1.00 3.73 N ATOM 1571 CZ ARG A 103 5.376 -17.190 -7.743 1.00 4.34 C ATOM 1572 NH1 ARG A 103 4.824 -16.813 -8.863 1.00 4.81 N ATOM 1573 NH2 ARG A 103 5.832 -18.405 -7.617 1.00 4.84 N ATOM 0 H ARG A 103 4.063 -10.613 -3.802 1.00 0.90 H new ATOM 0 HA ARG A 103 2.792 -13.217 -4.093 1.00 1.11 H new ATOM 0 HB2 ARG A 103 4.338 -12.957 -6.180 1.00 1.71 H new ATOM 0 HB3 ARG A 103 5.686 -12.877 -5.063 1.00 1.71 H new ATOM 0 HG2 ARG A 103 5.670 -15.143 -4.766 1.00 2.44 H new ATOM 0 HG3 ARG A 103 3.964 -15.135 -4.364 1.00 2.44 H new ATOM 0 HD2 ARG A 103 3.400 -15.897 -6.465 1.00 3.16 H new ATOM 0 HD3 ARG A 103 4.315 -14.617 -7.238 1.00 3.16 H new ATOM 0 HE ARG A 103 6.307 -16.349 -6.161 1.00 3.73 H new ATOM 0 HH11 ARG A 103 4.468 -15.862 -8.962 1.00 4.81 H new ATOM 0 HH12 ARG A 103 4.748 -17.469 -9.640 1.00 4.81 H new ATOM 0 HH21 ARG A 103 6.265 -18.699 -6.741 1.00 4.84 H new ATOM 0 HH22 ARG A 103 5.756 -19.061 -8.394 1.00 4.84 H new ATOM 1587 N GLU A 104 5.359 -12.058 -2.425 1.00 0.75 N ATOM 1588 CA GLU A 104 6.016 -12.153 -1.090 1.00 0.66 C ATOM 1589 C GLU A 104 6.557 -10.785 -0.673 1.00 0.56 C ATOM 1590 O GLU A 104 6.756 -9.911 -1.493 1.00 0.57 O ATOM 1591 CB GLU A 104 7.162 -13.147 -1.282 1.00 0.79 C ATOM 1592 CG GLU A 104 6.595 -14.565 -1.373 1.00 1.59 C ATOM 1593 CD GLU A 104 7.653 -15.569 -0.911 1.00 1.87 C ATOM 1594 OE1 GLU A 104 8.114 -15.439 0.212 1.00 2.04 O ATOM 1595 OE2 GLU A 104 7.984 -16.450 -1.686 1.00 2.51 O ATOM 0 H GLU A 104 5.736 -11.339 -3.043 1.00 0.75 H new ATOM 0 HA GLU A 104 5.325 -12.474 -0.310 1.00 0.66 H new ATOM 0 HB2 GLU A 104 7.718 -12.907 -2.188 1.00 0.79 H new ATOM 0 HB3 GLU A 104 7.863 -13.076 -0.450 1.00 0.79 H new ATOM 0 HG2 GLU A 104 5.702 -14.651 -0.754 1.00 1.59 H new ATOM 0 HG3 GLU A 104 6.295 -14.783 -2.398 1.00 1.59 H new ATOM 1602 N ALA A 105 6.792 -10.590 0.601 1.00 0.50 N ATOM 1603 CA ALA A 105 7.316 -9.274 1.084 1.00 0.44 C ATOM 1604 C ALA A 105 8.469 -8.785 0.198 1.00 0.45 C ATOM 1605 O ALA A 105 8.680 -7.599 0.041 1.00 0.47 O ATOM 1606 CB ALA A 105 7.808 -9.547 2.505 1.00 0.47 C ATOM 0 H ALA A 105 6.643 -11.288 1.330 1.00 0.50 H new ATOM 0 HA ALA A 105 6.554 -8.495 1.053 1.00 0.44 H new ATOM 0 HB1 ALA A 105 8.210 -8.629 2.934 1.00 0.47 H new ATOM 0 HB2 ALA A 105 6.977 -9.900 3.116 1.00 0.47 H new ATOM 0 HB3 ALA A 105 8.588 -10.308 2.480 1.00 0.47 H new ATOM 1612 N ASP A 106 9.206 -9.684 -0.392 1.00 0.51 N ATOM 1613 CA ASP A 106 10.327 -9.252 -1.273 1.00 0.56 C ATOM 1614 C ASP A 106 9.775 -8.400 -2.415 1.00 0.54 C ATOM 1615 O ASP A 106 10.200 -7.283 -2.635 1.00 0.64 O ATOM 1616 CB ASP A 106 10.939 -10.545 -1.814 1.00 0.67 C ATOM 1617 CG ASP A 106 11.742 -11.231 -0.708 1.00 1.18 C ATOM 1618 OD1 ASP A 106 12.471 -10.539 -0.016 1.00 1.82 O ATOM 1619 OD2 ASP A 106 11.616 -12.437 -0.571 1.00 2.02 O ATOM 0 H ASP A 106 9.082 -10.693 -0.304 1.00 0.51 H new ATOM 0 HA ASP A 106 11.068 -8.652 -0.744 1.00 0.56 H new ATOM 0 HB2 ASP A 106 10.153 -11.209 -2.173 1.00 0.67 H new ATOM 0 HB3 ASP A 106 11.585 -10.326 -2.665 1.00 0.67 H new ATOM 1624 N ASP A 107 8.823 -8.920 -3.137 1.00 0.50 N ATOM 1625 CA ASP A 107 8.226 -8.148 -4.266 1.00 0.52 C ATOM 1626 C ASP A 107 7.789 -6.763 -3.781 1.00 0.51 C ATOM 1627 O ASP A 107 7.742 -5.813 -4.537 1.00 0.63 O ATOM 1628 CB ASP A 107 7.016 -8.970 -4.712 1.00 0.55 C ATOM 1629 CG ASP A 107 7.278 -9.551 -6.103 1.00 0.76 C ATOM 1630 OD1 ASP A 107 8.016 -8.936 -6.852 1.00 1.39 O ATOM 1631 OD2 ASP A 107 6.732 -10.604 -6.394 1.00 1.41 O ATOM 0 H ASP A 107 8.430 -9.850 -2.995 1.00 0.50 H new ATOM 0 HA ASP A 107 8.932 -7.991 -5.082 1.00 0.52 H new ATOM 0 HB2 ASP A 107 6.827 -9.774 -4.000 1.00 0.55 H new ATOM 0 HB3 ASP A 107 6.124 -8.344 -4.730 1.00 0.55 H new ATOM 1636 N ILE A 108 7.475 -6.642 -2.520 1.00 0.46 N ATOM 1637 CA ILE A 108 7.050 -5.319 -1.981 1.00 0.52 C ATOM 1638 C ILE A 108 8.270 -4.412 -1.817 1.00 0.50 C ATOM 1639 O ILE A 108 8.331 -3.327 -2.362 1.00 0.52 O ATOM 1640 CB ILE A 108 6.424 -5.623 -0.618 1.00 0.60 C ATOM 1641 CG1 ILE A 108 5.309 -6.660 -0.784 1.00 0.73 C ATOM 1642 CG2 ILE A 108 5.840 -4.339 -0.026 1.00 0.67 C ATOM 1643 CD1 ILE A 108 4.218 -6.100 -1.697 1.00 0.68 C ATOM 0 H ILE A 108 7.494 -7.402 -1.840 1.00 0.46 H new ATOM 0 HA ILE A 108 6.350 -4.807 -2.642 1.00 0.52 H new ATOM 0 HB ILE A 108 7.189 -6.017 0.051 1.00 0.60 H new ATOM 0 HG12 ILE A 108 5.714 -7.580 -1.207 1.00 0.73 H new ATOM 0 HG13 ILE A 108 4.888 -6.915 0.189 1.00 0.73 H new ATOM 0 HG21 ILE A 108 5.394 -4.556 0.945 1.00 0.67 H new ATOM 0 HG22 ILE A 108 6.633 -3.601 0.096 1.00 0.67 H new ATOM 0 HG23 ILE A 108 5.076 -3.944 -0.696 1.00 0.67 H new ATOM 0 HD11 ILE A 108 3.426 -6.840 -1.814 1.00 0.68 H new ATOM 0 HD12 ILE A 108 3.805 -5.193 -1.256 1.00 0.68 H new ATOM 0 HD13 ILE A 108 4.644 -5.868 -2.673 1.00 0.68 H new ATOM 1655 N VAL A 109 9.249 -4.855 -1.074 1.00 0.51 N ATOM 1656 CA VAL A 109 10.470 -4.025 -0.878 1.00 0.56 C ATOM 1657 C VAL A 109 11.254 -3.936 -2.188 1.00 0.51 C ATOM 1658 O VAL A 109 11.762 -2.894 -2.550 1.00 0.55 O ATOM 1659 CB VAL A 109 11.282 -4.761 0.187 1.00 0.67 C ATOM 1660 CG1 VAL A 109 12.567 -3.981 0.476 1.00 0.81 C ATOM 1661 CG2 VAL A 109 10.457 -4.877 1.470 1.00 0.86 C ATOM 0 H VAL A 109 9.255 -5.756 -0.595 1.00 0.51 H new ATOM 0 HA VAL A 109 10.237 -3.004 -0.575 1.00 0.56 H new ATOM 0 HB VAL A 109 11.534 -5.758 -0.173 1.00 0.67 H new ATOM 0 HG11 VAL A 109 13.147 -4.505 1.236 1.00 0.81 H new ATOM 0 HG12 VAL A 109 13.156 -3.898 -0.438 1.00 0.81 H new ATOM 0 HG13 VAL A 109 12.314 -2.984 0.836 1.00 0.81 H new ATOM 0 HG21 VAL A 109 11.037 -5.402 2.229 1.00 0.86 H new ATOM 0 HG22 VAL A 109 10.204 -3.880 1.831 1.00 0.86 H new ATOM 0 HG23 VAL A 109 9.541 -5.432 1.265 1.00 0.86 H new ATOM 1671 N ASN A 110 11.352 -5.023 -2.904 1.00 0.50 N ATOM 1672 CA ASN A 110 12.099 -5.001 -4.195 1.00 0.52 C ATOM 1673 C ASN A 110 11.558 -3.886 -5.089 1.00 0.50 C ATOM 1674 O ASN A 110 12.260 -2.958 -5.439 1.00 0.59 O ATOM 1675 CB ASN A 110 11.841 -6.371 -4.823 1.00 0.59 C ATOM 1676 CG ASN A 110 12.936 -6.683 -5.846 1.00 0.98 C ATOM 1677 OD1 ASN A 110 13.433 -5.796 -6.511 1.00 1.65 O ATOM 1678 ND2 ASN A 110 13.333 -7.917 -6.002 1.00 1.29 N ATOM 0 H ASN A 110 10.948 -5.925 -2.652 1.00 0.50 H new ATOM 0 HA ASN A 110 13.164 -4.813 -4.059 1.00 0.52 H new ATOM 0 HB2 ASN A 110 11.823 -7.139 -4.050 1.00 0.59 H new ATOM 0 HB3 ASN A 110 10.864 -6.382 -5.306 1.00 0.59 H new ATOM 0 HD21 ASN A 110 14.061 -8.137 -6.682 1.00 1.29 H new ATOM 0 HD22 ASN A 110 12.916 -8.661 -5.444 1.00 1.29 H new ATOM 1685 N TRP A 111 10.311 -3.966 -5.454 1.00 0.46 N ATOM 1686 CA TRP A 111 9.721 -2.904 -6.315 1.00 0.51 C ATOM 1687 C TRP A 111 9.843 -1.549 -5.614 1.00 0.55 C ATOM 1688 O TRP A 111 9.883 -0.512 -6.245 1.00 0.66 O ATOM 1689 CB TRP A 111 8.252 -3.295 -6.485 1.00 0.55 C ATOM 1690 CG TRP A 111 7.731 -2.726 -7.766 1.00 0.58 C ATOM 1691 CD1 TRP A 111 8.113 -3.119 -9.003 1.00 0.73 C ATOM 1692 CD2 TRP A 111 6.743 -1.673 -7.959 1.00 0.69 C ATOM 1693 NE1 TRP A 111 7.423 -2.374 -9.942 1.00 0.84 N ATOM 1694 CE2 TRP A 111 6.567 -1.470 -9.347 1.00 0.83 C ATOM 1695 CE3 TRP A 111 5.992 -0.881 -7.072 1.00 0.84 C ATOM 1696 CZ2 TRP A 111 5.676 -0.514 -9.839 1.00 1.03 C ATOM 1697 CZ3 TRP A 111 5.094 0.081 -7.563 1.00 1.07 C ATOM 1698 CH2 TRP A 111 4.937 0.263 -8.944 1.00 1.14 C ATOM 0 H TRP A 111 9.674 -4.720 -5.194 1.00 0.46 H new ATOM 0 HA TRP A 111 10.225 -2.817 -7.278 1.00 0.51 H new ATOM 0 HB2 TRP A 111 8.151 -4.380 -6.489 1.00 0.55 H new ATOM 0 HB3 TRP A 111 7.666 -2.924 -5.644 1.00 0.55 H new ATOM 0 HD1 TRP A 111 8.838 -3.889 -9.222 1.00 0.73 H new ATOM 0 HE1 TRP A 111 7.533 -2.480 -10.950 1.00 0.84 H new ATOM 0 HE3 TRP A 111 6.107 -1.013 -6.006 1.00 0.84 H new ATOM 0 HZ2 TRP A 111 5.559 -0.376 -10.904 1.00 1.03 H new ATOM 0 HZ3 TRP A 111 4.522 0.683 -6.873 1.00 1.07 H new ATOM 0 HH2 TRP A 111 4.245 1.004 -9.316 1.00 1.14 H new ATOM 1709 N LEU A 112 9.906 -1.553 -4.310 1.00 0.55 N ATOM 1710 CA LEU A 112 10.032 -0.270 -3.562 1.00 0.65 C ATOM 1711 C LEU A 112 11.465 0.262 -3.670 1.00 0.65 C ATOM 1712 O LEU A 112 11.685 1.433 -3.907 1.00 0.75 O ATOM 1713 CB LEU A 112 9.700 -0.620 -2.111 1.00 0.74 C ATOM 1714 CG LEU A 112 8.216 -0.353 -1.850 1.00 0.86 C ATOM 1715 CD1 LEU A 112 7.751 -1.179 -0.647 1.00 1.49 C ATOM 1716 CD2 LEU A 112 8.008 1.134 -1.556 1.00 1.10 C ATOM 0 H LEU A 112 9.876 -2.391 -3.730 1.00 0.55 H new ATOM 0 HA LEU A 112 9.372 0.504 -3.954 1.00 0.65 H new ATOM 0 HB2 LEU A 112 9.932 -1.667 -1.916 1.00 0.74 H new ATOM 0 HB3 LEU A 112 10.312 -0.026 -1.433 1.00 0.74 H new ATOM 0 HG LEU A 112 7.638 -0.634 -2.730 1.00 0.86 H new ATOM 0 HD11 LEU A 112 6.694 -0.988 -0.462 1.00 1.49 H new ATOM 0 HD12 LEU A 112 7.898 -2.239 -0.855 1.00 1.49 H new ATOM 0 HD13 LEU A 112 8.330 -0.898 0.233 1.00 1.49 H new ATOM 0 HD21 LEU A 112 6.951 1.324 -1.370 1.00 1.10 H new ATOM 0 HD22 LEU A 112 8.587 1.416 -0.677 1.00 1.10 H new ATOM 0 HD23 LEU A 112 8.338 1.724 -2.412 1.00 1.10 H new ATOM 1728 N LYS A 113 12.440 -0.590 -3.501 1.00 0.62 N ATOM 1729 CA LYS A 113 13.857 -0.130 -3.597 1.00 0.70 C ATOM 1730 C LYS A 113 14.245 0.129 -5.059 1.00 0.75 C ATOM 1731 O LYS A 113 15.300 0.660 -5.342 1.00 1.01 O ATOM 1732 CB LYS A 113 14.685 -1.279 -3.019 1.00 0.79 C ATOM 1733 CG LYS A 113 15.206 -0.888 -1.636 1.00 1.42 C ATOM 1734 CD LYS A 113 15.173 -2.109 -0.715 1.00 1.84 C ATOM 1735 CE LYS A 113 16.496 -2.213 0.045 1.00 2.39 C ATOM 1736 NZ LYS A 113 16.152 -2.896 1.323 1.00 2.86 N ATOM 0 H LYS A 113 12.318 -1.583 -3.301 1.00 0.62 H new ATOM 0 HA LYS A 113 14.020 0.805 -3.061 1.00 0.70 H new ATOM 0 HB2 LYS A 113 14.076 -2.180 -2.948 1.00 0.79 H new ATOM 0 HB3 LYS A 113 15.519 -1.509 -3.682 1.00 0.79 H new ATOM 0 HG2 LYS A 113 16.224 -0.505 -1.714 1.00 1.42 H new ATOM 0 HG3 LYS A 113 14.595 -0.087 -1.218 1.00 1.42 H new ATOM 0 HD2 LYS A 113 14.344 -2.025 -0.012 1.00 1.84 H new ATOM 0 HD3 LYS A 113 15.005 -3.014 -1.299 1.00 1.84 H new ATOM 0 HE2 LYS A 113 17.233 -2.782 -0.521 1.00 2.39 H new ATOM 0 HE3 LYS A 113 16.926 -1.228 0.227 1.00 2.39 H new ATOM 0 HZ1 LYS A 113 16.627 -2.414 2.113 1.00 2.86 H new ATOM 0 HZ2 LYS A 113 15.123 -2.865 1.467 1.00 2.86 H new ATOM 0 HZ3 LYS A 113 16.466 -3.887 1.283 1.00 2.86 H new ATOM 1750 N LYS A 114 13.406 -0.240 -5.991 1.00 0.71 N ATOM 1751 CA LYS A 114 13.741 -0.011 -7.428 1.00 0.89 C ATOM 1752 C LYS A 114 13.905 1.486 -7.707 1.00 1.07 C ATOM 1753 O LYS A 114 14.627 1.884 -8.599 1.00 1.31 O ATOM 1754 CB LYS A 114 12.548 -0.573 -8.203 1.00 0.92 C ATOM 1755 CG LYS A 114 12.955 -0.829 -9.655 1.00 1.45 C ATOM 1756 CD LYS A 114 12.252 -2.086 -10.171 1.00 1.77 C ATOM 1757 CE LYS A 114 12.596 -2.297 -11.646 1.00 2.49 C ATOM 1758 NZ LYS A 114 13.602 -3.396 -11.653 1.00 3.00 N ATOM 0 H LYS A 114 12.506 -0.689 -5.820 1.00 0.71 H new ATOM 0 HA LYS A 114 14.678 -0.488 -7.714 1.00 0.89 H new ATOM 0 HB2 LYS A 114 12.206 -1.499 -7.742 1.00 0.92 H new ATOM 0 HB3 LYS A 114 11.714 0.128 -8.166 1.00 0.92 H new ATOM 0 HG2 LYS A 114 12.690 0.028 -10.274 1.00 1.45 H new ATOM 0 HG3 LYS A 114 14.036 -0.950 -9.724 1.00 1.45 H new ATOM 0 HD2 LYS A 114 12.561 -2.953 -9.587 1.00 1.77 H new ATOM 0 HD3 LYS A 114 11.173 -1.988 -10.049 1.00 1.77 H new ATOM 0 HE2 LYS A 114 11.712 -2.568 -12.223 1.00 2.49 H new ATOM 0 HE3 LYS A 114 13.001 -1.388 -12.091 1.00 2.49 H new ATOM 0 HZ1 LYS A 114 13.888 -3.599 -12.632 1.00 3.00 H new ATOM 0 HZ2 LYS A 114 14.435 -3.107 -11.102 1.00 3.00 H new ATOM 0 HZ3 LYS A 114 13.186 -4.250 -11.230 1.00 3.00 H new ATOM 1772 N ARG A 115 13.240 2.320 -6.953 1.00 1.09 N ATOM 1773 CA ARG A 115 13.362 3.790 -7.183 1.00 1.40 C ATOM 1774 C ARG A 115 13.697 4.522 -5.876 1.00 1.25 C ATOM 1775 O ARG A 115 13.692 5.736 -5.821 1.00 1.55 O ATOM 1776 CB ARG A 115 11.988 4.223 -7.699 1.00 1.86 C ATOM 1777 CG ARG A 115 12.142 4.873 -9.076 1.00 2.43 C ATOM 1778 CD ARG A 115 11.219 6.090 -9.172 1.00 2.92 C ATOM 1779 NE ARG A 115 12.031 7.134 -9.856 1.00 3.45 N ATOM 1780 CZ ARG A 115 11.698 7.541 -11.050 1.00 3.99 C ATOM 1781 NH1 ARG A 115 12.175 6.937 -12.104 1.00 4.52 N ATOM 1782 NH2 ARG A 115 10.887 8.555 -11.192 1.00 4.34 N ATOM 0 H ARG A 115 12.620 2.049 -6.190 1.00 1.09 H new ATOM 0 HA ARG A 115 14.162 4.026 -7.885 1.00 1.40 H new ATOM 0 HB2 ARG A 115 11.324 3.361 -7.764 1.00 1.86 H new ATOM 0 HB3 ARG A 115 11.531 4.926 -7.002 1.00 1.86 H new ATOM 0 HG2 ARG A 115 13.177 5.175 -9.234 1.00 2.43 H new ATOM 0 HG3 ARG A 115 11.897 4.155 -9.858 1.00 2.43 H new ATOM 0 HD2 ARG A 115 10.317 5.858 -9.738 1.00 2.92 H new ATOM 0 HD3 ARG A 115 10.899 6.422 -8.184 1.00 2.92 H new ATOM 0 HE ARG A 115 12.848 7.531 -9.391 1.00 3.45 H new ATOM 0 HH11 ARG A 115 12.809 6.146 -11.995 1.00 4.52 H new ATOM 0 HH12 ARG A 115 11.914 7.256 -13.037 1.00 4.52 H new ATOM 0 HH21 ARG A 115 10.514 9.029 -10.369 1.00 4.34 H new ATOM 0 HH22 ARG A 115 10.627 8.873 -12.126 1.00 4.34 H new