USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 535 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 TYR OH : rot -30:sc= 1.94 USER MOD Set 1.2: A 36 SER OG : rot 56:sc= 0.832 USER MOD Set 2.1: A 29 HIS : no HE2:sc= 0.453 K(o=1.6,f=-3.4!) USER MOD Set 2.2: A 61 THR OG1 : rot 76:sc= 1.2 USER MOD Set 3.1: A 14 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 15 CYS SG : rot 180:sc= -0.257 USER MOD Single : A 13 MET CE :methyl -175:sc= -1.5 (180deg=-1.59) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0758 USER MOD Single : A 18 CYS SG : rot -114:sc= -0.232 USER MOD Single : A 20 HIS :FLIP no HD1:sc= -0.358 F(o=-1.4,f=-0.36) USER MOD Single : A 21 LYS NZ :NH3+ -157:sc= 1.02 (180deg=0.639) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 130:sc= 0 USER MOD Single : A 27 THR OG1 : rot 49:sc= 0.276 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot -110:sc= -2.57! USER MOD Single : A 41 THR OG1 : rot -29:sc= 0.721 USER MOD Single : A 42 ASN : amide:sc= 0.453 X(o=0.45,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -154:sc= 1.22 (180deg=1.14) USER MOD Single : A 45 HIS : no HE2:sc= 0.1 K(o=0.1,f=-4.3!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 120:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.216 X(o=-0.22,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N VAL A 5 9.381 -5.361 3.034 1.00 0.89 N ATOM 47 CA VAL A 5 8.411 -4.278 3.034 1.00 0.93 C ATOM 48 C VAL A 5 8.514 -3.562 1.687 1.00 1.01 C ATOM 49 O VAL A 5 9.481 -3.771 0.956 1.00 1.72 O ATOM 50 CB VAL A 5 8.608 -3.315 4.228 1.00 1.08 C ATOM 51 CG1 VAL A 5 8.904 -4.039 5.550 1.00 1.81 C ATOM 52 CG2 VAL A 5 9.714 -2.281 3.985 1.00 2.08 C ATOM 0 HA VAL A 5 7.406 -4.681 3.161 1.00 0.93 H new ATOM 0 HB VAL A 5 7.649 -2.803 4.313 1.00 1.08 H new ATOM 0 HG11 VAL A 5 9.031 -3.305 6.346 1.00 1.81 H new ATOM 0 HG12 VAL A 5 8.074 -4.701 5.796 1.00 1.81 H new ATOM 0 HG13 VAL A 5 9.817 -4.625 5.447 1.00 1.81 H new ATOM 0 HG21 VAL A 5 9.805 -1.634 4.857 1.00 2.08 H new ATOM 0 HG22 VAL A 5 10.660 -2.794 3.813 1.00 2.08 H new ATOM 0 HG23 VAL A 5 9.464 -1.679 3.111 1.00 2.08 H new ATOM 62 N LEU A 6 7.531 -2.718 1.370 1.00 0.69 N ATOM 63 CA LEU A 6 7.470 -1.936 0.147 1.00 0.74 C ATOM 64 C LEU A 6 6.748 -0.632 0.491 1.00 0.70 C ATOM 65 O LEU A 6 5.558 -0.664 0.807 1.00 0.97 O ATOM 66 CB LEU A 6 6.721 -2.763 -0.915 1.00 0.92 C ATOM 67 CG LEU A 6 6.960 -2.365 -2.382 1.00 1.07 C ATOM 68 CD1 LEU A 6 6.696 -0.884 -2.656 1.00 2.08 C ATOM 69 CD2 LEU A 6 8.367 -2.749 -2.854 1.00 2.14 C ATOM 0 H LEU A 6 6.731 -2.559 1.982 1.00 0.69 H new ATOM 0 HA LEU A 6 8.453 -1.697 -0.258 1.00 0.74 H new ATOM 0 HB2 LEU A 6 7.002 -3.809 -0.794 1.00 0.92 H new ATOM 0 HB3 LEU A 6 5.652 -2.694 -0.711 1.00 0.92 H new ATOM 0 HG LEU A 6 6.230 -2.933 -2.959 1.00 1.07 H new ATOM 0 HD11 LEU A 6 6.883 -0.670 -3.708 1.00 2.08 H new ATOM 0 HD12 LEU A 6 5.659 -0.649 -2.417 1.00 2.08 H new ATOM 0 HD13 LEU A 6 7.358 -0.276 -2.039 1.00 2.08 H new ATOM 0 HD21 LEU A 6 8.496 -2.451 -3.895 1.00 2.14 H new ATOM 0 HD22 LEU A 6 9.109 -2.242 -2.237 1.00 2.14 H new ATOM 0 HD23 LEU A 6 8.498 -3.828 -2.767 1.00 2.14 H new ATOM 81 N GLU A 7 7.457 0.503 0.469 1.00 0.55 N ATOM 82 CA GLU A 7 6.861 1.822 0.643 1.00 0.56 C ATOM 83 C GLU A 7 6.500 2.416 -0.715 1.00 0.62 C ATOM 84 O GLU A 7 7.264 2.284 -1.670 1.00 0.81 O ATOM 85 CB GLU A 7 7.810 2.768 1.384 1.00 0.62 C ATOM 86 CG GLU A 7 8.137 2.299 2.812 1.00 0.66 C ATOM 87 CD GLU A 7 7.953 3.402 3.855 1.00 1.48 C ATOM 88 OE1 GLU A 7 8.259 4.564 3.507 1.00 2.14 O ATOM 89 OE2 GLU A 7 7.446 3.092 4.956 1.00 2.81 O ATOM 0 H GLU A 7 8.467 0.526 0.329 1.00 0.55 H new ATOM 0 HA GLU A 7 5.958 1.705 1.242 1.00 0.56 H new ATOM 0 HB2 GLU A 7 8.737 2.861 0.817 1.00 0.62 H new ATOM 0 HB3 GLU A 7 7.363 3.761 1.428 1.00 0.62 H new ATOM 0 HG2 GLU A 7 7.498 1.454 3.067 1.00 0.66 H new ATOM 0 HG3 GLU A 7 9.166 1.942 2.845 1.00 0.66 H new ATOM 96 N LEU A 8 5.360 3.106 -0.796 1.00 0.73 N ATOM 97 CA LEU A 8 4.930 3.794 -2.001 1.00 0.74 C ATOM 98 C LEU A 8 4.156 5.058 -1.611 1.00 0.69 C ATOM 99 O LEU A 8 3.396 5.066 -0.642 1.00 0.71 O ATOM 100 CB LEU A 8 4.236 2.829 -3.000 1.00 0.73 C ATOM 101 CG LEU A 8 3.542 1.599 -2.381 1.00 0.77 C ATOM 102 CD1 LEU A 8 2.248 1.989 -1.680 1.00 1.62 C ATOM 103 CD2 LEU A 8 3.196 0.585 -3.469 1.00 1.51 C ATOM 0 H LEU A 8 4.709 3.200 -0.017 1.00 0.73 H new ATOM 0 HA LEU A 8 5.786 4.147 -2.576 1.00 0.74 H new ATOM 0 HB2 LEU A 8 3.494 3.394 -3.564 1.00 0.73 H new ATOM 0 HB3 LEU A 8 4.982 2.480 -3.714 1.00 0.73 H new ATOM 0 HG LEU A 8 4.235 1.168 -1.658 1.00 0.77 H new ATOM 0 HD11 LEU A 8 1.783 1.100 -1.254 1.00 1.62 H new ATOM 0 HD12 LEU A 8 2.466 2.701 -0.884 1.00 1.62 H new ATOM 0 HD13 LEU A 8 1.568 2.445 -2.399 1.00 1.62 H new ATOM 0 HD21 LEU A 8 2.707 -0.279 -3.019 1.00 1.51 H new ATOM 0 HD22 LEU A 8 2.525 1.045 -4.195 1.00 1.51 H new ATOM 0 HD23 LEU A 8 4.109 0.264 -3.971 1.00 1.51 H new ATOM 115 N VAL A 9 4.422 6.169 -2.303 1.00 0.75 N ATOM 116 CA VAL A 9 3.657 7.390 -2.111 1.00 0.77 C ATOM 117 C VAL A 9 2.399 7.224 -2.946 1.00 0.71 C ATOM 118 O VAL A 9 2.497 6.982 -4.147 1.00 0.91 O ATOM 119 CB VAL A 9 4.467 8.648 -2.479 1.00 0.94 C ATOM 120 CG1 VAL A 9 3.578 9.842 -2.854 1.00 1.07 C ATOM 121 CG2 VAL A 9 5.311 9.075 -1.270 1.00 1.08 C ATOM 0 H VAL A 9 5.163 6.242 -3.000 1.00 0.75 H new ATOM 0 HA VAL A 9 3.402 7.541 -1.062 1.00 0.77 H new ATOM 0 HB VAL A 9 5.079 8.384 -3.341 1.00 0.94 H new ATOM 0 HG11 VAL A 9 4.205 10.698 -3.103 1.00 1.07 H new ATOM 0 HG12 VAL A 9 2.962 9.581 -3.714 1.00 1.07 H new ATOM 0 HG13 VAL A 9 2.935 10.096 -2.011 1.00 1.07 H new ATOM 0 HG21 VAL A 9 5.887 9.965 -1.524 1.00 1.08 H new ATOM 0 HG22 VAL A 9 4.655 9.295 -0.428 1.00 1.08 H new ATOM 0 HG23 VAL A 9 5.992 8.268 -0.998 1.00 1.08 H new ATOM 131 N VAL A 10 1.238 7.308 -2.301 1.00 0.65 N ATOM 132 CA VAL A 10 -0.052 7.090 -2.917 1.00 0.65 C ATOM 133 C VAL A 10 -0.827 8.407 -2.853 1.00 0.79 C ATOM 134 O VAL A 10 -1.347 8.795 -1.810 1.00 1.27 O ATOM 135 CB VAL A 10 -0.745 5.854 -2.311 1.00 0.66 C ATOM 136 CG1 VAL A 10 0.237 4.698 -2.113 1.00 1.52 C ATOM 137 CG2 VAL A 10 -1.344 6.070 -0.931 1.00 1.31 C ATOM 0 H VAL A 10 1.176 7.536 -1.309 1.00 0.65 H new ATOM 0 HA VAL A 10 0.027 6.833 -3.973 1.00 0.65 H new ATOM 0 HB VAL A 10 -1.530 5.642 -3.036 1.00 0.66 H new ATOM 0 HG11 VAL A 10 -0.288 3.844 -1.684 1.00 1.52 H new ATOM 0 HG12 VAL A 10 0.665 4.415 -3.075 1.00 1.52 H new ATOM 0 HG13 VAL A 10 1.035 5.010 -1.439 1.00 1.52 H new ATOM 0 HG21 VAL A 10 -1.809 5.146 -0.588 1.00 1.31 H new ATOM 0 HG22 VAL A 10 -0.558 6.361 -0.235 1.00 1.31 H new ATOM 0 HG23 VAL A 10 -2.096 6.858 -0.980 1.00 1.31 H new ATOM 147 N ARG A 11 -0.863 9.147 -3.961 1.00 0.63 N ATOM 148 CA ARG A 11 -1.665 10.365 -4.001 1.00 0.72 C ATOM 149 C ARG A 11 -3.139 9.965 -4.078 1.00 0.72 C ATOM 150 O ARG A 11 -3.449 8.806 -4.357 1.00 0.86 O ATOM 151 CB ARG A 11 -1.295 11.260 -5.188 1.00 1.00 C ATOM 152 CG ARG A 11 0.206 11.558 -5.308 1.00 1.10 C ATOM 153 CD ARG A 11 0.492 12.296 -6.623 1.00 1.88 C ATOM 154 NE ARG A 11 -0.279 13.548 -6.720 1.00 2.88 N ATOM 155 CZ ARG A 11 -0.787 14.107 -7.835 1.00 4.14 C ATOM 156 NH1 ARG A 11 -0.718 13.504 -9.024 1.00 4.53 N ATOM 157 NH2 ARG A 11 -1.355 15.316 -7.753 1.00 5.72 N ATOM 0 H ARG A 11 -0.359 8.931 -4.821 1.00 0.63 H new ATOM 0 HA ARG A 11 -1.470 10.944 -3.099 1.00 0.72 H new ATOM 0 HB2 ARG A 11 -1.634 10.783 -6.108 1.00 1.00 H new ATOM 0 HB3 ARG A 11 -1.835 12.203 -5.100 1.00 1.00 H new ATOM 0 HG2 ARG A 11 0.533 12.164 -4.463 1.00 1.10 H new ATOM 0 HG3 ARG A 11 0.774 10.628 -5.273 1.00 1.10 H new ATOM 0 HD2 ARG A 11 1.557 12.517 -6.693 1.00 1.88 H new ATOM 0 HD3 ARG A 11 0.245 11.650 -7.465 1.00 1.88 H new ATOM 0 HE ARG A 11 -0.446 14.046 -5.846 1.00 2.88 H new ATOM 0 HH11 ARG A 11 -0.270 12.591 -9.108 1.00 4.53 H new ATOM 0 HH12 ARG A 11 -1.113 13.956 -9.849 1.00 4.53 H new ATOM 0 HH21 ARG A 11 -1.398 15.799 -6.856 1.00 5.72 H new ATOM 0 HH22 ARG A 11 -1.745 15.754 -8.588 1.00 5.72 H new ATOM 171 N GLY A 12 -4.042 10.918 -3.840 1.00 0.79 N ATOM 172 CA GLY A 12 -5.480 10.709 -3.959 1.00 0.87 C ATOM 173 C GLY A 12 -6.160 10.516 -2.604 1.00 0.80 C ATOM 174 O GLY A 12 -7.388 10.542 -2.533 1.00 1.02 O ATOM 0 H GLY A 12 -3.790 11.865 -3.557 1.00 0.79 H new ATOM 0 HA2 GLY A 12 -5.927 11.564 -4.467 1.00 0.87 H new ATOM 0 HA3 GLY A 12 -5.666 9.835 -4.583 1.00 0.87 H new ATOM 178 N MET A 13 -5.391 10.337 -1.521 1.00 0.77 N ATOM 179 CA MET A 13 -5.934 10.258 -0.168 1.00 0.80 C ATOM 180 C MET A 13 -6.511 11.604 0.291 1.00 1.09 C ATOM 181 O MET A 13 -5.933 12.297 1.123 1.00 1.81 O ATOM 182 CB MET A 13 -4.869 9.731 0.797 1.00 0.90 C ATOM 183 CG MET A 13 -4.460 8.299 0.448 1.00 0.87 C ATOM 184 SD MET A 13 -3.455 7.489 1.709 1.00 1.50 S ATOM 185 CE MET A 13 -1.935 8.430 1.570 1.00 0.91 C ATOM 0 H MET A 13 -4.376 10.244 -1.564 1.00 0.77 H new ATOM 0 HA MET A 13 -6.765 9.553 -0.171 1.00 0.80 H new ATOM 0 HB2 MET A 13 -3.993 10.379 0.764 1.00 0.90 H new ATOM 0 HB3 MET A 13 -5.252 9.763 1.817 1.00 0.90 H new ATOM 0 HG2 MET A 13 -5.360 7.707 0.280 1.00 0.87 H new ATOM 0 HG3 MET A 13 -3.906 8.310 -0.491 1.00 0.87 H new ATOM 0 HE1 MET A 13 -1.177 7.996 2.223 1.00 0.91 H new ATOM 0 HE2 MET A 13 -1.584 8.403 0.539 1.00 0.91 H new ATOM 0 HE3 MET A 13 -2.119 9.463 1.864 1.00 0.91 H new ATOM 195 N THR A 14 -7.665 11.969 -0.267 1.00 1.17 N ATOM 196 CA THR A 14 -8.288 13.273 -0.096 1.00 1.54 C ATOM 197 C THR A 14 -8.869 13.469 1.310 1.00 1.54 C ATOM 198 O THR A 14 -8.927 14.599 1.795 1.00 2.38 O ATOM 199 CB THR A 14 -9.320 13.493 -1.220 1.00 1.93 C ATOM 200 OG1 THR A 14 -9.896 14.779 -1.140 1.00 2.58 O ATOM 201 CG2 THR A 14 -10.450 12.458 -1.227 1.00 2.05 C ATOM 0 H THR A 14 -8.204 11.345 -0.867 1.00 1.17 H new ATOM 0 HA THR A 14 -7.523 14.045 -0.182 1.00 1.54 H new ATOM 0 HB THR A 14 -8.756 13.383 -2.146 1.00 1.93 H new ATOM 0 HG1 THR A 14 -10.545 14.892 -1.865 1.00 2.58 H new ATOM 0 HG21 THR A 14 -11.138 12.676 -2.044 1.00 2.05 H new ATOM 0 HG22 THR A 14 -10.030 11.461 -1.362 1.00 2.05 H new ATOM 0 HG23 THR A 14 -10.987 12.500 -0.280 1.00 2.05 H new ATOM 209 N CYS A 15 -9.315 12.395 1.972 1.00 1.33 N ATOM 210 CA CYS A 15 -9.963 12.472 3.277 1.00 1.49 C ATOM 211 C CYS A 15 -9.548 11.269 4.115 1.00 1.31 C ATOM 212 O CYS A 15 -9.141 10.248 3.561 1.00 1.98 O ATOM 213 CB CYS A 15 -11.493 12.501 3.144 1.00 1.96 C ATOM 214 SG CYS A 15 -12.065 13.925 2.183 1.00 3.53 S ATOM 0 H CYS A 15 -9.234 11.444 1.611 1.00 1.33 H new ATOM 0 HA CYS A 15 -9.649 13.397 3.761 1.00 1.49 H new ATOM 0 HB2 CYS A 15 -11.833 11.582 2.667 1.00 1.96 H new ATOM 0 HB3 CYS A 15 -11.942 12.530 4.137 1.00 1.96 H new ATOM 0 HG CYS A 15 -13.362 13.900 2.100 1.00 3.53 H new ATOM 220 N ALA A 16 -9.679 11.383 5.442 1.00 0.96 N ATOM 221 CA ALA A 16 -9.315 10.352 6.411 1.00 0.90 C ATOM 222 C ALA A 16 -9.784 8.963 5.980 1.00 0.89 C ATOM 223 O ALA A 16 -9.022 8.002 6.045 1.00 1.81 O ATOM 224 CB ALA A 16 -9.903 10.700 7.781 1.00 1.10 C ATOM 0 H ALA A 16 -10.054 12.224 5.881 1.00 0.96 H new ATOM 0 HA ALA A 16 -8.227 10.324 6.469 1.00 0.90 H new ATOM 0 HB1 ALA A 16 -9.629 9.929 8.501 1.00 1.10 H new ATOM 0 HB2 ALA A 16 -9.510 11.661 8.112 1.00 1.10 H new ATOM 0 HB3 ALA A 16 -10.989 10.758 7.707 1.00 1.10 H new ATOM 230 N SER A 17 -11.030 8.864 5.516 1.00 0.65 N ATOM 231 CA SER A 17 -11.621 7.640 5.005 1.00 0.58 C ATOM 232 C SER A 17 -10.660 6.871 4.094 1.00 0.56 C ATOM 233 O SER A 17 -10.549 5.657 4.204 1.00 0.69 O ATOM 234 CB SER A 17 -12.911 8.011 4.270 1.00 0.74 C ATOM 235 OG SER A 17 -13.577 9.029 4.996 1.00 1.60 O ATOM 0 H SER A 17 -11.669 9.659 5.487 1.00 0.65 H new ATOM 0 HA SER A 17 -11.841 6.970 5.836 1.00 0.58 H new ATOM 0 HB2 SER A 17 -12.684 8.355 3.261 1.00 0.74 H new ATOM 0 HB3 SER A 17 -13.554 7.136 4.172 1.00 0.74 H new ATOM 0 HG SER A 17 -14.404 9.274 4.531 1.00 1.60 H new ATOM 241 N CYS A 18 -9.940 7.563 3.210 1.00 0.49 N ATOM 242 CA CYS A 18 -8.997 6.940 2.287 1.00 0.50 C ATOM 243 C CYS A 18 -7.971 6.082 3.025 1.00 0.47 C ATOM 244 O CYS A 18 -7.634 4.993 2.565 1.00 0.48 O ATOM 245 CB CYS A 18 -8.280 8.013 1.467 1.00 0.56 C ATOM 246 SG CYS A 18 -9.446 8.954 0.446 1.00 0.72 S ATOM 0 H CYS A 18 -9.997 8.577 3.116 1.00 0.49 H new ATOM 0 HA CYS A 18 -9.564 6.289 1.622 1.00 0.50 H new ATOM 0 HB2 CYS A 18 -7.750 8.691 2.136 1.00 0.56 H new ATOM 0 HB3 CYS A 18 -7.530 7.545 0.829 1.00 0.56 H new ATOM 0 HG CYS A 18 -9.210 8.719 -0.811 1.00 0.72 H new ATOM 252 N VAL A 19 -7.492 6.564 4.175 1.00 0.47 N ATOM 253 CA VAL A 19 -6.504 5.869 4.985 1.00 0.45 C ATOM 254 C VAL A 19 -7.066 4.502 5.364 1.00 0.48 C ATOM 255 O VAL A 19 -6.499 3.466 5.021 1.00 0.52 O ATOM 256 CB VAL A 19 -6.159 6.713 6.227 1.00 0.50 C ATOM 257 CG1 VAL A 19 -5.021 6.099 7.049 1.00 0.68 C ATOM 258 CG2 VAL A 19 -5.731 8.125 5.817 1.00 0.67 C ATOM 0 H VAL A 19 -7.786 7.458 4.569 1.00 0.47 H new ATOM 0 HA VAL A 19 -5.579 5.723 4.426 1.00 0.45 H new ATOM 0 HB VAL A 19 -7.063 6.743 6.835 1.00 0.50 H new ATOM 0 HG11 VAL A 19 -4.815 6.730 7.913 1.00 0.68 H new ATOM 0 HG12 VAL A 19 -5.312 5.104 7.387 1.00 0.68 H new ATOM 0 HG13 VAL A 19 -4.125 6.025 6.432 1.00 0.68 H new ATOM 0 HG21 VAL A 19 -5.491 8.706 6.708 1.00 0.67 H new ATOM 0 HG22 VAL A 19 -4.852 8.067 5.175 1.00 0.67 H new ATOM 0 HG23 VAL A 19 -6.544 8.609 5.276 1.00 0.67 H new ATOM 268 N HIS A 20 -8.224 4.497 6.029 1.00 0.55 N ATOM 269 CA HIS A 20 -8.852 3.279 6.476 1.00 0.68 C ATOM 270 C HIS A 20 -9.255 2.436 5.261 1.00 0.63 C ATOM 271 O HIS A 20 -9.260 1.214 5.347 1.00 0.73 O ATOM 272 CB HIS A 20 -10.000 3.649 7.432 1.00 0.88 C ATOM 273 CG HIS A 20 -11.326 3.033 7.106 1.00 0.76 C ATOM 274 ND1 HIS A 20 -12.062 3.248 5.973 1.00 0.98 N flip ATOM 275 CD2 HIS A 20 -11.980 2.095 7.861 1.00 0.64 C flip ATOM 276 CE1 HIS A 20 -13.185 2.426 6.025 1.00 1.04 C flip ATOM 277 NE2 HIS A 20 -13.086 1.760 7.184 1.00 0.81 N flip ATOM 0 H HIS A 20 -8.742 5.343 6.266 1.00 0.55 H new ATOM 0 HA HIS A 20 -8.173 2.645 7.046 1.00 0.68 H new ATOM 0 HB2 HIS A 20 -9.719 3.354 8.443 1.00 0.88 H new ATOM 0 HB3 HIS A 20 -10.112 4.733 7.436 1.00 0.88 H new ATOM 0 HD2 HIS A 20 -11.665 1.702 8.816 1.00 0.64 H new ATOM 0 HE1 HIS A 20 -13.970 2.343 5.288 1.00 1.04 H new ATOM 0 HE2 HIS A 20 -13.771 1.079 7.511 1.00 0.81 H new ATOM 285 N LYS A 21 -9.593 3.067 4.127 1.00 0.54 N ATOM 286 CA LYS A 21 -9.962 2.341 2.924 1.00 0.58 C ATOM 287 C LYS A 21 -8.781 1.475 2.519 1.00 0.62 C ATOM 288 O LYS A 21 -8.927 0.279 2.293 1.00 0.86 O ATOM 289 CB LYS A 21 -10.326 3.282 1.760 1.00 0.61 C ATOM 290 CG LYS A 21 -11.339 2.609 0.814 1.00 0.90 C ATOM 291 CD LYS A 21 -11.069 2.888 -0.672 1.00 1.43 C ATOM 292 CE LYS A 21 -11.303 4.342 -1.103 1.00 2.75 C ATOM 293 NZ LYS A 21 -11.134 4.533 -2.566 1.00 3.78 N ATOM 0 H LYS A 21 -9.615 4.082 4.028 1.00 0.54 H new ATOM 0 HA LYS A 21 -10.845 1.740 3.140 1.00 0.58 H new ATOM 0 HB2 LYS A 21 -10.746 4.208 2.152 1.00 0.61 H new ATOM 0 HB3 LYS A 21 -9.426 3.550 1.207 1.00 0.61 H new ATOM 0 HG2 LYS A 21 -11.321 1.532 0.982 1.00 0.90 H new ATOM 0 HG3 LYS A 21 -12.342 2.954 1.064 1.00 0.90 H new ATOM 0 HD2 LYS A 21 -10.037 2.618 -0.897 1.00 1.43 H new ATOM 0 HD3 LYS A 21 -11.707 2.238 -1.272 1.00 1.43 H new ATOM 0 HE2 LYS A 21 -12.309 4.647 -0.813 1.00 2.75 H new ATOM 0 HE3 LYS A 21 -10.608 4.992 -0.572 1.00 2.75 H new ATOM 0 HZ1 LYS A 21 -10.914 5.530 -2.763 1.00 3.78 H new ATOM 0 HZ2 LYS A 21 -10.356 3.933 -2.907 1.00 3.78 H new ATOM 0 HZ3 LYS A 21 -12.014 4.270 -3.054 1.00 3.78 H new ATOM 307 N ILE A 22 -7.609 2.101 2.428 1.00 0.47 N ATOM 308 CA ILE A 22 -6.389 1.446 2.005 1.00 0.44 C ATOM 309 C ILE A 22 -6.067 0.361 3.019 1.00 0.46 C ATOM 310 O ILE A 22 -5.931 -0.800 2.641 1.00 0.46 O ATOM 311 CB ILE A 22 -5.259 2.477 1.849 1.00 0.49 C ATOM 312 CG1 ILE A 22 -5.509 3.320 0.599 1.00 0.33 C ATOM 313 CG2 ILE A 22 -3.926 1.750 1.671 1.00 0.73 C ATOM 314 CD1 ILE A 22 -4.713 4.621 0.516 1.00 0.59 C ATOM 0 H ILE A 22 -7.487 3.089 2.650 1.00 0.47 H new ATOM 0 HA ILE A 22 -6.508 0.980 1.027 1.00 0.44 H new ATOM 0 HB ILE A 22 -5.231 3.110 2.736 1.00 0.49 H new ATOM 0 HG12 ILE A 22 -5.278 2.716 -0.278 1.00 0.33 H new ATOM 0 HG13 ILE A 22 -6.571 3.560 0.550 1.00 0.33 H new ATOM 0 HG21 ILE A 22 -3.125 2.481 1.560 1.00 0.73 H new ATOM 0 HG22 ILE A 22 -3.731 1.128 2.545 1.00 0.73 H new ATOM 0 HG23 ILE A 22 -3.970 1.122 0.781 1.00 0.73 H new ATOM 0 HD11 ILE A 22 -4.964 5.143 -0.408 1.00 0.59 H new ATOM 0 HD12 ILE A 22 -4.960 5.254 1.369 1.00 0.59 H new ATOM 0 HD13 ILE A 22 -3.646 4.396 0.528 1.00 0.59 H new ATOM 326 N GLU A 23 -5.978 0.740 4.297 1.00 0.54 N ATOM 327 CA GLU A 23 -5.637 -0.181 5.366 1.00 0.57 C ATOM 328 C GLU A 23 -6.555 -1.404 5.300 1.00 0.54 C ATOM 329 O GLU A 23 -6.101 -2.531 5.120 1.00 0.57 O ATOM 330 CB GLU A 23 -5.690 0.536 6.731 1.00 0.65 C ATOM 331 CG GLU A 23 -4.494 0.113 7.603 1.00 0.93 C ATOM 332 CD GLU A 23 -4.346 0.934 8.878 1.00 1.97 C ATOM 333 OE1 GLU A 23 -5.355 1.550 9.281 1.00 3.09 O ATOM 334 OE2 GLU A 23 -3.219 0.925 9.427 1.00 2.80 O ATOM 0 H GLU A 23 -6.142 1.696 4.612 1.00 0.54 H new ATOM 0 HA GLU A 23 -4.613 -0.535 5.242 1.00 0.57 H new ATOM 0 HB2 GLU A 23 -5.677 1.616 6.583 1.00 0.65 H new ATOM 0 HB3 GLU A 23 -6.623 0.295 7.240 1.00 0.65 H new ATOM 0 HG2 GLU A 23 -4.603 -0.938 7.869 1.00 0.93 H new ATOM 0 HG3 GLU A 23 -3.579 0.200 7.017 1.00 0.93 H new ATOM 341 N SER A 24 -7.865 -1.159 5.357 1.00 0.54 N ATOM 342 CA SER A 24 -8.874 -2.210 5.379 1.00 0.59 C ATOM 343 C SER A 24 -8.767 -3.067 4.117 1.00 0.52 C ATOM 344 O SER A 24 -8.811 -4.294 4.176 1.00 0.64 O ATOM 345 CB SER A 24 -10.272 -1.594 5.529 1.00 0.69 C ATOM 346 OG SER A 24 -11.245 -2.591 5.785 1.00 1.52 O ATOM 0 H SER A 24 -8.255 -0.217 5.389 1.00 0.54 H new ATOM 0 HA SER A 24 -8.703 -2.860 6.237 1.00 0.59 H new ATOM 0 HB2 SER A 24 -10.268 -0.869 6.343 1.00 0.69 H new ATOM 0 HB3 SER A 24 -10.533 -1.052 4.620 1.00 0.69 H new ATOM 0 HG SER A 24 -12.126 -2.172 5.878 1.00 1.52 H new ATOM 352 N SER A 25 -8.650 -2.407 2.963 1.00 0.46 N ATOM 353 CA SER A 25 -8.574 -3.065 1.671 1.00 0.49 C ATOM 354 C SER A 25 -7.305 -3.899 1.545 1.00 0.48 C ATOM 355 O SER A 25 -7.309 -4.871 0.800 1.00 0.69 O ATOM 356 CB SER A 25 -8.643 -2.027 0.551 1.00 0.54 C ATOM 357 OG SER A 25 -8.752 -2.655 -0.714 1.00 0.75 O ATOM 0 H SER A 25 -8.605 -1.390 2.906 1.00 0.46 H new ATOM 0 HA SER A 25 -9.424 -3.741 1.585 1.00 0.49 H new ATOM 0 HB2 SER A 25 -9.498 -1.370 0.710 1.00 0.54 H new ATOM 0 HB3 SER A 25 -7.751 -1.400 0.575 1.00 0.54 H new ATOM 0 HG SER A 25 -9.495 -2.257 -1.214 1.00 0.75 H new ATOM 363 N LEU A 26 -6.218 -3.516 2.214 1.00 0.43 N ATOM 364 CA LEU A 26 -4.994 -4.302 2.218 1.00 0.48 C ATOM 365 C LEU A 26 -5.091 -5.465 3.202 1.00 0.50 C ATOM 366 O LEU A 26 -4.726 -6.582 2.831 1.00 0.54 O ATOM 367 CB LEU A 26 -3.760 -3.428 2.449 1.00 0.56 C ATOM 368 CG LEU A 26 -3.111 -3.091 1.098 1.00 0.68 C ATOM 369 CD1 LEU A 26 -2.356 -1.766 1.155 1.00 1.97 C ATOM 370 CD2 LEU A 26 -2.160 -4.206 0.658 1.00 2.38 C ATOM 0 H LEU A 26 -6.165 -2.658 2.763 1.00 0.43 H new ATOM 0 HA LEU A 26 -4.871 -4.739 1.227 1.00 0.48 H new ATOM 0 HB2 LEU A 26 -4.042 -2.512 2.968 1.00 0.56 H new ATOM 0 HB3 LEU A 26 -3.047 -3.949 3.087 1.00 0.56 H new ATOM 0 HG LEU A 26 -3.915 -2.998 0.368 1.00 0.68 H new ATOM 0 HD11 LEU A 26 -1.910 -1.559 0.182 1.00 1.97 H new ATOM 0 HD12 LEU A 26 -3.047 -0.964 1.415 1.00 1.97 H new ATOM 0 HD13 LEU A 26 -1.571 -1.827 1.909 1.00 1.97 H new ATOM 0 HD21 LEU A 26 -1.712 -3.945 -0.301 1.00 2.38 H new ATOM 0 HD22 LEU A 26 -1.374 -4.329 1.403 1.00 2.38 H new ATOM 0 HD23 LEU A 26 -2.715 -5.139 0.558 1.00 2.38 H new ATOM 382 N THR A 27 -5.584 -5.235 4.427 1.00 0.54 N ATOM 383 CA THR A 27 -5.740 -6.270 5.447 1.00 0.69 C ATOM 384 C THR A 27 -6.783 -7.313 5.010 1.00 0.84 C ATOM 385 O THR A 27 -7.910 -7.317 5.499 1.00 1.98 O ATOM 386 CB THR A 27 -6.100 -5.650 6.807 1.00 0.79 C ATOM 387 OG1 THR A 27 -7.255 -4.851 6.675 1.00 0.87 O ATOM 388 CG2 THR A 27 -4.967 -4.795 7.391 1.00 0.89 C ATOM 0 H THR A 27 -5.888 -4.312 4.737 1.00 0.54 H new ATOM 0 HA THR A 27 -4.786 -6.784 5.562 1.00 0.69 H new ATOM 0 HB THR A 27 -6.276 -6.478 7.494 1.00 0.79 H new ATOM 0 HG1 THR A 27 -7.950 -5.356 6.204 1.00 0.87 H new ATOM 0 HG21 THR A 27 -5.279 -4.384 8.351 1.00 0.89 H new ATOM 0 HG22 THR A 27 -4.080 -5.413 7.532 1.00 0.89 H new ATOM 0 HG23 THR A 27 -4.736 -3.980 6.705 1.00 0.89 H new ATOM 396 N LYS A 28 -6.377 -8.185 4.087 1.00 0.85 N ATOM 397 CA LYS A 28 -7.139 -9.224 3.401 1.00 0.90 C ATOM 398 C LYS A 28 -6.266 -9.915 2.345 1.00 0.83 C ATOM 399 O LYS A 28 -6.434 -11.113 2.124 1.00 1.08 O ATOM 400 CB LYS A 28 -8.472 -8.722 2.806 1.00 1.03 C ATOM 401 CG LYS A 28 -8.359 -7.524 1.851 1.00 1.03 C ATOM 402 CD LYS A 28 -8.158 -7.885 0.367 1.00 2.10 C ATOM 403 CE LYS A 28 -9.422 -8.381 -0.342 1.00 1.88 C ATOM 404 NZ LYS A 28 -9.197 -8.470 -1.801 1.00 3.45 N ATOM 0 H LYS A 28 -5.407 -8.179 3.771 1.00 0.85 H new ATOM 0 HA LYS A 28 -7.423 -9.957 4.156 1.00 0.90 H new ATOM 0 HB2 LYS A 28 -8.945 -9.546 2.273 1.00 1.03 H new ATOM 0 HB3 LYS A 28 -9.136 -8.450 3.626 1.00 1.03 H new ATOM 0 HG2 LYS A 28 -9.262 -6.920 1.942 1.00 1.03 H new ATOM 0 HG3 LYS A 28 -7.525 -6.901 2.173 1.00 1.03 H new ATOM 0 HD2 LYS A 28 -7.782 -7.008 -0.160 1.00 2.10 H new ATOM 0 HD3 LYS A 28 -7.390 -8.655 0.294 1.00 2.10 H new ATOM 0 HE2 LYS A 28 -9.705 -9.358 0.048 1.00 1.88 H new ATOM 0 HE3 LYS A 28 -10.251 -7.703 -0.137 1.00 1.88 H new ATOM 0 HZ1 LYS A 28 -10.064 -8.808 -2.266 1.00 3.45 H new ATOM 0 HZ2 LYS A 28 -8.949 -7.531 -2.172 1.00 3.45 H new ATOM 0 HZ3 LYS A 28 -8.420 -9.134 -1.993 1.00 3.45 H new ATOM 418 N HIS A 29 -5.324 -9.196 1.708 1.00 0.69 N ATOM 419 CA HIS A 29 -4.388 -9.801 0.758 1.00 0.88 C ATOM 420 C HIS A 29 -3.543 -10.899 1.421 1.00 0.96 C ATOM 421 O HIS A 29 -3.057 -11.797 0.738 1.00 2.21 O ATOM 422 CB HIS A 29 -3.507 -8.732 0.091 1.00 1.06 C ATOM 423 CG HIS A 29 -4.225 -7.908 -0.947 1.00 0.77 C ATOM 424 ND1 HIS A 29 -4.097 -7.995 -2.319 1.00 1.36 N ATOM 425 CD2 HIS A 29 -5.195 -6.984 -0.683 1.00 0.70 C ATOM 426 CE1 HIS A 29 -5.012 -7.173 -2.858 1.00 1.80 C ATOM 427 NE2 HIS A 29 -5.727 -6.555 -1.901 1.00 1.49 N ATOM 0 H HIS A 29 -5.195 -8.193 1.838 1.00 0.69 H new ATOM 0 HA HIS A 29 -4.975 -10.278 -0.026 1.00 0.88 H new ATOM 0 HB2 HIS A 29 -3.115 -8.067 0.860 1.00 1.06 H new ATOM 0 HB3 HIS A 29 -2.651 -9.220 -0.375 1.00 1.06 H new ATOM 0 HD1 HIS A 29 -3.431 -8.576 -2.829 1.00 1.36 H new ATOM 0 HD2 HIS A 29 -5.498 -6.644 0.296 1.00 0.70 H new ATOM 0 HE1 HIS A 29 -5.155 -7.028 -3.919 1.00 1.80 H new ATOM 435 N ARG A 30 -3.384 -10.850 2.749 1.00 1.98 N ATOM 436 CA ARG A 30 -2.945 -11.962 3.592 1.00 2.11 C ATOM 437 C ARG A 30 -1.436 -12.199 3.546 1.00 2.03 C ATOM 438 O ARG A 30 -0.820 -12.402 4.587 1.00 3.68 O ATOM 439 CB ARG A 30 -3.757 -13.229 3.284 1.00 2.49 C ATOM 440 CG ARG A 30 -3.744 -14.214 4.462 1.00 3.36 C ATOM 441 CD ARG A 30 -4.693 -15.395 4.199 1.00 3.74 C ATOM 442 NE ARG A 30 -6.056 -14.946 3.857 1.00 4.45 N ATOM 443 CZ ARG A 30 -6.932 -14.382 4.704 1.00 6.29 C ATOM 444 NH1 ARG A 30 -6.657 -14.325 6.011 1.00 7.43 N ATOM 445 NH2 ARG A 30 -8.077 -13.870 4.236 1.00 7.55 N ATOM 0 H ARG A 30 -3.565 -10.001 3.284 1.00 1.98 H new ATOM 0 HA ARG A 30 -3.148 -11.681 4.625 1.00 2.11 H new ATOM 0 HB2 ARG A 30 -4.786 -12.954 3.051 1.00 2.49 H new ATOM 0 HB3 ARG A 30 -3.349 -13.716 2.398 1.00 2.49 H new ATOM 0 HG2 ARG A 30 -2.731 -14.584 4.621 1.00 3.36 H new ATOM 0 HG3 ARG A 30 -4.042 -13.699 5.375 1.00 3.36 H new ATOM 0 HD2 ARG A 30 -4.297 -16.003 3.386 1.00 3.74 H new ATOM 0 HD3 ARG A 30 -4.733 -16.032 5.083 1.00 3.74 H new ATOM 0 HE ARG A 30 -6.360 -15.075 2.892 1.00 4.45 H new ATOM 0 HH11 ARG A 30 -5.781 -14.710 6.365 1.00 7.43 H new ATOM 0 HH12 ARG A 30 -7.323 -13.896 6.654 1.00 7.43 H new ATOM 0 HH21 ARG A 30 -8.283 -13.909 3.238 1.00 7.55 H new ATOM 0 HH22 ARG A 30 -8.744 -13.441 4.878 1.00 7.55 H new ATOM 459 N GLY A 31 -0.829 -12.131 2.360 1.00 0.76 N ATOM 460 CA GLY A 31 0.621 -12.099 2.228 1.00 0.79 C ATOM 461 C GLY A 31 1.227 -10.873 2.920 1.00 0.83 C ATOM 462 O GLY A 31 2.420 -10.862 3.227 1.00 1.21 O ATOM 0 H GLY A 31 -1.329 -12.097 1.471 1.00 0.76 H new ATOM 0 HA2 GLY A 31 1.046 -13.006 2.658 1.00 0.79 H new ATOM 0 HA3 GLY A 31 0.890 -12.091 1.172 1.00 0.79 H new ATOM 466 N ILE A 32 0.409 -9.835 3.152 1.00 0.83 N ATOM 467 CA ILE A 32 0.814 -8.637 3.866 1.00 0.87 C ATOM 468 C ILE A 32 0.750 -8.860 5.380 1.00 1.03 C ATOM 469 O ILE A 32 -0.249 -9.333 5.916 1.00 1.39 O ATOM 470 CB ILE A 32 0.071 -7.375 3.370 1.00 1.21 C ATOM 471 CG1 ILE A 32 -1.212 -6.979 4.106 1.00 1.20 C ATOM 472 CG2 ILE A 32 -0.121 -7.414 1.846 1.00 3.03 C ATOM 473 CD1 ILE A 32 -2.318 -8.024 3.984 1.00 3.11 C ATOM 0 H ILE A 32 -0.562 -9.814 2.841 1.00 0.83 H new ATOM 0 HA ILE A 32 1.860 -8.435 3.636 1.00 0.87 H new ATOM 0 HB ILE A 32 0.745 -6.561 3.636 1.00 1.21 H new ATOM 0 HG12 ILE A 32 -0.985 -6.820 5.160 1.00 1.20 H new ATOM 0 HG13 ILE A 32 -1.572 -6.029 3.711 1.00 1.20 H new ATOM 0 HG21 ILE A 32 -0.646 -6.515 1.522 1.00 3.03 H new ATOM 0 HG22 ILE A 32 0.852 -7.461 1.358 1.00 3.03 H new ATOM 0 HG23 ILE A 32 -0.706 -8.293 1.575 1.00 3.03 H new ATOM 0 HD11 ILE A 32 -3.200 -7.685 4.527 1.00 3.11 H new ATOM 0 HD12 ILE A 32 -2.570 -8.166 2.933 1.00 3.11 H new ATOM 0 HD13 ILE A 32 -1.974 -8.969 4.405 1.00 3.11 H new ATOM 485 N LEU A 33 1.826 -8.500 6.073 1.00 1.01 N ATOM 486 CA LEU A 33 1.875 -8.421 7.518 1.00 1.27 C ATOM 487 C LEU A 33 1.117 -7.171 7.968 1.00 1.09 C ATOM 488 O LEU A 33 0.378 -7.223 8.949 1.00 1.20 O ATOM 489 CB LEU A 33 3.339 -8.373 7.986 1.00 1.72 C ATOM 490 CG LEU A 33 4.193 -9.558 7.502 1.00 1.58 C ATOM 491 CD1 LEU A 33 5.654 -9.330 7.908 1.00 2.87 C ATOM 492 CD2 LEU A 33 3.703 -10.891 8.079 1.00 2.02 C ATOM 0 H LEU A 33 2.709 -8.250 5.627 1.00 1.01 H new ATOM 0 HA LEU A 33 1.407 -9.300 7.960 1.00 1.27 H new ATOM 0 HB2 LEU A 33 3.791 -7.446 7.634 1.00 1.72 H new ATOM 0 HB3 LEU A 33 3.360 -8.345 9.075 1.00 1.72 H new ATOM 0 HG LEU A 33 4.104 -9.614 6.417 1.00 1.58 H new ATOM 0 HD11 LEU A 33 6.262 -10.168 7.566 1.00 2.87 H new ATOM 0 HD12 LEU A 33 6.018 -8.409 7.454 1.00 2.87 H new ATOM 0 HD13 LEU A 33 5.722 -9.251 8.993 1.00 2.87 H new ATOM 0 HD21 LEU A 33 4.334 -11.700 7.712 1.00 2.02 H new ATOM 0 HD22 LEU A 33 3.754 -10.857 9.167 1.00 2.02 H new ATOM 0 HD23 LEU A 33 2.673 -11.065 7.769 1.00 2.02 H new ATOM 504 N TYR A 34 1.301 -6.042 7.269 1.00 0.94 N ATOM 505 CA TYR A 34 0.674 -4.777 7.639 1.00 1.02 C ATOM 506 C TYR A 34 0.688 -3.817 6.444 1.00 0.99 C ATOM 507 O TYR A 34 1.401 -4.068 5.475 1.00 1.10 O ATOM 508 CB TYR A 34 1.408 -4.192 8.859 1.00 1.24 C ATOM 509 CG TYR A 34 0.795 -2.955 9.496 1.00 1.38 C ATOM 510 CD1 TYR A 34 -0.602 -2.803 9.610 1.00 2.51 C ATOM 511 CD2 TYR A 34 1.637 -1.932 9.964 1.00 1.71 C ATOM 512 CE1 TYR A 34 -1.141 -1.537 9.897 1.00 2.86 C ATOM 513 CE2 TYR A 34 1.085 -0.720 10.409 1.00 1.78 C ATOM 514 CZ TYR A 34 -0.292 -0.480 10.265 1.00 1.98 C ATOM 515 OH TYR A 34 -0.762 0.795 10.379 1.00 2.41 O ATOM 0 H TYR A 34 1.887 -5.986 6.436 1.00 0.94 H new ATOM 0 HA TYR A 34 -0.369 -4.936 7.913 1.00 1.02 H new ATOM 0 HB2 TYR A 34 1.475 -4.969 9.620 1.00 1.24 H new ATOM 0 HB3 TYR A 34 2.428 -3.950 8.559 1.00 1.24 H new ATOM 0 HD1 TYR A 34 -1.254 -3.654 9.478 1.00 2.51 H new ATOM 0 HD2 TYR A 34 2.707 -2.078 9.981 1.00 1.71 H new ATOM 0 HE1 TYR A 34 -2.207 -1.377 9.835 1.00 2.86 H new ATOM 0 HE2 TYR A 34 1.719 0.028 10.862 1.00 1.78 H new ATOM 0 HH TYR A 34 -1.507 0.926 9.756 1.00 2.41 H new ATOM 525 N CYS A 35 -0.103 -2.737 6.506 1.00 1.06 N ATOM 526 CA CYS A 35 -0.300 -1.740 5.451 1.00 1.13 C ATOM 527 C CYS A 35 -0.400 -0.333 6.042 1.00 1.51 C ATOM 528 O CYS A 35 -1.390 0.372 5.863 1.00 3.11 O ATOM 529 CB CYS A 35 -1.535 -2.032 4.597 1.00 1.08 C ATOM 530 SG CYS A 35 -2.887 -2.610 5.630 1.00 2.31 S ATOM 0 H CYS A 35 -0.651 -2.526 7.340 1.00 1.06 H new ATOM 0 HA CYS A 35 0.574 -1.797 4.802 1.00 1.13 H new ATOM 0 HB2 CYS A 35 -1.837 -1.131 4.062 1.00 1.08 H new ATOM 0 HB3 CYS A 35 -1.296 -2.784 3.845 1.00 1.08 H new ATOM 0 HG CYS A 35 -3.104 -3.870 5.396 1.00 2.31 H new ATOM 536 N SER A 36 0.647 0.093 6.743 1.00 0.45 N ATOM 537 CA SER A 36 0.677 1.413 7.359 1.00 0.59 C ATOM 538 C SER A 36 0.567 2.529 6.313 1.00 0.42 C ATOM 539 O SER A 36 1.561 2.928 5.703 1.00 0.54 O ATOM 540 CB SER A 36 1.909 1.590 8.257 1.00 0.93 C ATOM 541 OG SER A 36 1.541 2.282 9.437 1.00 1.31 O ATOM 0 H SER A 36 1.489 -0.461 6.898 1.00 0.45 H new ATOM 0 HA SER A 36 -0.200 1.491 8.001 1.00 0.59 H new ATOM 0 HB2 SER A 36 2.330 0.617 8.510 1.00 0.93 H new ATOM 0 HB3 SER A 36 2.683 2.143 7.725 1.00 0.93 H new ATOM 0 HG SER A 36 0.808 1.806 9.880 1.00 1.31 H new ATOM 547 N VAL A 37 -0.657 3.014 6.105 1.00 0.41 N ATOM 548 CA VAL A 37 -0.997 4.150 5.281 1.00 0.50 C ATOM 549 C VAL A 37 -1.308 5.413 6.104 1.00 0.65 C ATOM 550 O VAL A 37 -1.774 5.320 7.237 1.00 0.76 O ATOM 551 CB VAL A 37 -2.127 3.654 4.373 1.00 0.75 C ATOM 552 CG1 VAL A 37 -3.404 3.315 5.142 1.00 2.11 C ATOM 553 CG2 VAL A 37 -2.480 4.638 3.274 1.00 1.54 C ATOM 0 H VAL A 37 -1.479 2.592 6.537 1.00 0.41 H new ATOM 0 HA VAL A 37 -0.161 4.494 4.672 1.00 0.50 H new ATOM 0 HB VAL A 37 -1.727 2.745 3.924 1.00 0.75 H new ATOM 0 HG11 VAL A 37 -4.168 2.970 4.445 1.00 2.11 H new ATOM 0 HG12 VAL A 37 -3.194 2.530 5.868 1.00 2.11 H new ATOM 0 HG13 VAL A 37 -3.762 4.204 5.662 1.00 2.11 H new ATOM 0 HG21 VAL A 37 -3.286 4.229 2.665 1.00 1.54 H new ATOM 0 HG22 VAL A 37 -2.802 5.580 3.718 1.00 1.54 H new ATOM 0 HG23 VAL A 37 -1.605 4.813 2.648 1.00 1.54 H new ATOM 563 N ALA A 38 -1.017 6.600 5.548 1.00 0.86 N ATOM 564 CA ALA A 38 -1.183 7.897 6.202 1.00 0.96 C ATOM 565 C ALA A 38 -1.364 9.028 5.195 1.00 0.99 C ATOM 566 O ALA A 38 -0.565 9.186 4.269 1.00 0.93 O ATOM 567 CB ALA A 38 0.013 8.217 7.082 1.00 1.02 C ATOM 0 H ALA A 38 -0.648 6.680 4.600 1.00 0.86 H new ATOM 0 HA ALA A 38 -2.084 7.822 6.811 1.00 0.96 H new ATOM 0 HB1 ALA A 38 -0.134 9.187 7.557 1.00 1.02 H new ATOM 0 HB2 ALA A 38 0.117 7.449 7.848 1.00 1.02 H new ATOM 0 HB3 ALA A 38 0.916 8.245 6.472 1.00 1.02 H new ATOM 573 N LEU A 39 -2.393 9.847 5.435 1.00 1.12 N ATOM 574 CA LEU A 39 -2.852 10.865 4.499 1.00 1.24 C ATOM 575 C LEU A 39 -1.804 11.957 4.304 1.00 1.23 C ATOM 576 O LEU A 39 -1.403 12.233 3.178 1.00 1.26 O ATOM 577 CB LEU A 39 -4.256 11.394 4.856 1.00 1.39 C ATOM 578 CG LEU A 39 -4.374 12.255 6.127 1.00 1.18 C ATOM 579 CD1 LEU A 39 -4.338 13.753 5.789 1.00 1.37 C ATOM 580 CD2 LEU A 39 -5.709 11.977 6.829 1.00 1.76 C ATOM 0 H LEU A 39 -2.935 9.817 6.299 1.00 1.12 H new ATOM 0 HA LEU A 39 -2.972 10.394 3.523 1.00 1.24 H new ATOM 0 HB2 LEU A 39 -4.622 11.981 4.014 1.00 1.39 H new ATOM 0 HB3 LEU A 39 -4.924 10.539 4.962 1.00 1.39 H new ATOM 0 HG LEU A 39 -3.532 11.998 6.770 1.00 1.18 H new ATOM 0 HD11 LEU A 39 -4.423 14.335 6.707 1.00 1.37 H new ATOM 0 HD12 LEU A 39 -3.397 13.992 5.294 1.00 1.37 H new ATOM 0 HD13 LEU A 39 -5.168 13.997 5.126 1.00 1.37 H new ATOM 0 HD21 LEU A 39 -5.783 12.591 7.727 1.00 1.76 H new ATOM 0 HD22 LEU A 39 -6.531 12.219 6.156 1.00 1.76 H new ATOM 0 HD23 LEU A 39 -5.763 10.924 7.104 1.00 1.76 H new ATOM 592 N ALA A 40 -1.321 12.557 5.398 1.00 1.26 N ATOM 593 CA ALA A 40 -0.506 13.760 5.324 1.00 1.46 C ATOM 594 C ALA A 40 0.793 13.447 4.600 1.00 1.40 C ATOM 595 O ALA A 40 1.211 14.161 3.690 1.00 1.58 O ATOM 596 CB ALA A 40 -0.245 14.293 6.736 1.00 1.67 C ATOM 0 H ALA A 40 -1.486 12.221 6.347 1.00 1.26 H new ATOM 0 HA ALA A 40 -1.031 14.533 4.763 1.00 1.46 H new ATOM 0 HB1 ALA A 40 0.366 15.194 6.678 1.00 1.67 H new ATOM 0 HB2 ALA A 40 -1.194 14.528 7.217 1.00 1.67 H new ATOM 0 HB3 ALA A 40 0.280 13.536 7.319 1.00 1.67 H new ATOM 602 N THR A 41 1.413 12.328 4.974 1.00 1.26 N ATOM 603 CA THR A 41 2.666 11.929 4.358 1.00 1.23 C ATOM 604 C THR A 41 2.429 11.244 3.006 1.00 1.02 C ATOM 605 O THR A 41 3.398 10.820 2.377 1.00 1.05 O ATOM 606 CB THR A 41 3.487 11.099 5.352 1.00 1.33 C ATOM 607 OG1 THR A 41 4.713 10.687 4.780 1.00 1.63 O ATOM 608 CG2 THR A 41 2.719 9.884 5.863 1.00 2.59 C ATOM 0 H THR A 41 1.068 11.692 5.693 1.00 1.26 H new ATOM 0 HA THR A 41 3.262 12.811 4.122 1.00 1.23 H new ATOM 0 HB THR A 41 3.691 11.748 6.204 1.00 1.33 H new ATOM 0 HG1 THR A 41 4.608 10.599 3.810 1.00 1.63 H new ATOM 0 HG21 THR A 41 3.342 9.328 6.564 1.00 2.59 H new ATOM 0 HG22 THR A 41 1.811 10.213 6.367 1.00 2.59 H new ATOM 0 HG23 THR A 41 2.455 9.241 5.023 1.00 2.59 H new ATOM 616 N ASN A 42 1.169 11.131 2.559 1.00 0.90 N ATOM 617 CA ASN A 42 0.801 10.592 1.252 1.00 0.74 C ATOM 618 C ASN A 42 1.352 9.175 1.102 1.00 0.74 C ATOM 619 O ASN A 42 1.707 8.756 0.006 1.00 0.80 O ATOM 620 CB ASN A 42 1.280 11.504 0.107 1.00 0.75 C ATOM 621 CG ASN A 42 0.506 12.812 -0.016 1.00 1.56 C ATOM 622 OD1 ASN A 42 -0.174 13.035 -1.013 1.00 2.24 O ATOM 623 ND2 ASN A 42 0.616 13.714 0.955 1.00 2.64 N ATOM 0 H ASN A 42 0.363 11.420 3.113 1.00 0.90 H new ATOM 0 HA ASN A 42 -0.286 10.552 1.190 1.00 0.74 H new ATOM 0 HB2 ASN A 42 2.335 11.732 0.257 1.00 0.75 H new ATOM 0 HB3 ASN A 42 1.202 10.959 -0.834 1.00 0.75 H new ATOM 0 HD21 ASN A 42 0.131 14.608 0.878 1.00 2.64 H new ATOM 0 HD22 ASN A 42 1.185 13.512 1.777 1.00 2.64 H new ATOM 630 N LYS A 43 1.453 8.439 2.208 1.00 0.82 N ATOM 631 CA LYS A 43 2.201 7.194 2.271 1.00 0.91 C ATOM 632 C LYS A 43 1.216 6.046 2.339 1.00 0.81 C ATOM 633 O LYS A 43 0.269 6.119 3.115 1.00 1.01 O ATOM 634 CB LYS A 43 3.066 7.215 3.537 1.00 1.54 C ATOM 635 CG LYS A 43 3.934 5.974 3.788 1.00 1.75 C ATOM 636 CD LYS A 43 5.049 5.752 2.756 1.00 1.32 C ATOM 637 CE LYS A 43 5.987 6.967 2.675 1.00 1.33 C ATOM 638 NZ LYS A 43 7.320 6.604 2.154 1.00 1.75 N ATOM 0 H LYS A 43 1.012 8.697 3.091 1.00 0.82 H new ATOM 0 HA LYS A 43 2.838 7.075 1.394 1.00 0.91 H new ATOM 0 HB2 LYS A 43 3.720 8.086 3.490 1.00 1.54 H new ATOM 0 HB3 LYS A 43 2.411 7.354 4.397 1.00 1.54 H new ATOM 0 HG2 LYS A 43 4.384 6.056 4.777 1.00 1.75 H new ATOM 0 HG3 LYS A 43 3.291 5.094 3.803 1.00 1.75 H new ATOM 0 HD2 LYS A 43 5.623 4.864 3.023 1.00 1.32 H new ATOM 0 HD3 LYS A 43 4.609 5.564 1.777 1.00 1.32 H new ATOM 0 HE2 LYS A 43 5.541 7.727 2.033 1.00 1.33 H new ATOM 0 HE3 LYS A 43 6.093 7.409 3.665 1.00 1.33 H new ATOM 0 HZ1 LYS A 43 8.027 7.280 2.508 1.00 1.75 H new ATOM 0 HZ2 LYS A 43 7.568 5.645 2.472 1.00 1.75 H new ATOM 0 HZ3 LYS A 43 7.305 6.631 1.114 1.00 1.75 H new ATOM 652 N ALA A 44 1.495 4.966 1.614 1.00 0.70 N ATOM 653 CA ALA A 44 1.246 3.625 2.103 1.00 0.59 C ATOM 654 C ALA A 44 2.608 2.953 2.186 1.00 0.62 C ATOM 655 O ALA A 44 3.452 3.170 1.317 1.00 0.92 O ATOM 656 CB ALA A 44 0.271 2.863 1.199 1.00 0.65 C ATOM 0 H ALA A 44 1.897 5.001 0.677 1.00 0.70 H new ATOM 0 HA ALA A 44 0.763 3.640 3.080 1.00 0.59 H new ATOM 0 HB1 ALA A 44 0.110 1.862 1.599 1.00 0.65 H new ATOM 0 HB2 ALA A 44 -0.680 3.395 1.159 1.00 0.65 H new ATOM 0 HB3 ALA A 44 0.688 2.789 0.195 1.00 0.65 H new ATOM 662 N HIS A 45 2.852 2.149 3.215 1.00 0.58 N ATOM 663 CA HIS A 45 3.761 1.042 3.017 1.00 0.90 C ATOM 664 C HIS A 45 3.002 -0.227 3.244 1.00 0.76 C ATOM 665 O HIS A 45 1.982 -0.212 3.928 1.00 0.74 O ATOM 666 CB HIS A 45 5.016 1.117 3.875 1.00 1.24 C ATOM 667 CG HIS A 45 4.870 0.943 5.359 1.00 1.08 C ATOM 668 ND1 HIS A 45 5.584 1.688 6.262 1.00 1.61 N ATOM 669 CD2 HIS A 45 4.353 -0.140 6.028 1.00 0.93 C ATOM 670 CE1 HIS A 45 5.446 1.108 7.462 1.00 1.60 C ATOM 671 NE2 HIS A 45 4.709 -0.014 7.376 1.00 1.23 N ATOM 0 H HIS A 45 2.452 2.239 4.149 1.00 0.58 H new ATOM 0 HA HIS A 45 4.135 1.082 1.994 1.00 0.90 H new ATOM 0 HB2 HIS A 45 5.710 0.357 3.517 1.00 1.24 H new ATOM 0 HB3 HIS A 45 5.484 2.085 3.697 1.00 1.24 H new ATOM 0 HD1 HIS A 45 6.122 2.530 6.058 1.00 1.61 H new ATOM 0 HD2 HIS A 45 3.776 -0.943 5.593 1.00 0.93 H new ATOM 0 HE1 HIS A 45 5.871 1.491 8.378 1.00 1.60 H new ATOM 679 N ILE A 46 3.530 -1.308 2.685 1.00 0.69 N ATOM 680 CA ILE A 46 3.089 -2.641 2.978 1.00 0.49 C ATOM 681 C ILE A 46 4.294 -3.374 3.551 1.00 0.52 C ATOM 682 O ILE A 46 5.372 -3.334 2.965 1.00 0.63 O ATOM 683 CB ILE A 46 2.508 -3.296 1.719 1.00 0.55 C ATOM 684 CG1 ILE A 46 1.304 -2.526 1.147 1.00 0.74 C ATOM 685 CG2 ILE A 46 1.983 -4.678 2.102 1.00 0.66 C ATOM 686 CD1 ILE A 46 1.643 -1.298 0.296 1.00 0.94 C ATOM 0 H ILE A 46 4.289 -1.269 2.005 1.00 0.69 H new ATOM 0 HA ILE A 46 2.279 -2.664 3.707 1.00 0.49 H new ATOM 0 HB ILE A 46 3.303 -3.320 0.974 1.00 0.55 H new ATOM 0 HG12 ILE A 46 0.712 -3.212 0.542 1.00 0.74 H new ATOM 0 HG13 ILE A 46 0.673 -2.207 1.977 1.00 0.74 H new ATOM 0 HG21 ILE A 46 1.564 -5.165 1.221 1.00 0.66 H new ATOM 0 HG22 ILE A 46 2.801 -5.282 2.496 1.00 0.66 H new ATOM 0 HG23 ILE A 46 1.209 -4.575 2.863 1.00 0.66 H new ATOM 0 HD11 ILE A 46 0.722 -0.833 -0.055 1.00 0.94 H new ATOM 0 HD12 ILE A 46 2.205 -0.583 0.897 1.00 0.94 H new ATOM 0 HD13 ILE A 46 2.244 -1.604 -0.560 1.00 0.94 H new ATOM 698 N LYS A 47 4.114 -4.013 4.704 1.00 0.57 N ATOM 699 CA LYS A 47 5.020 -5.027 5.210 1.00 0.73 C ATOM 700 C LYS A 47 4.427 -6.352 4.771 1.00 0.71 C ATOM 701 O LYS A 47 3.216 -6.521 4.918 1.00 0.90 O ATOM 702 CB LYS A 47 5.120 -4.946 6.732 1.00 0.90 C ATOM 703 CG LYS A 47 5.634 -3.571 7.165 1.00 1.04 C ATOM 704 CD LYS A 47 6.323 -3.693 8.525 1.00 1.38 C ATOM 705 CE LYS A 47 6.887 -2.330 8.947 1.00 1.80 C ATOM 706 NZ LYS A 47 7.655 -2.412 10.206 1.00 2.51 N ATOM 0 H LYS A 47 3.320 -3.834 5.319 1.00 0.57 H new ATOM 0 HA LYS A 47 6.033 -4.897 4.828 1.00 0.73 H new ATOM 0 HB2 LYS A 47 4.142 -5.131 7.177 1.00 0.90 H new ATOM 0 HB3 LYS A 47 5.790 -5.723 7.100 1.00 0.90 H new ATOM 0 HG2 LYS A 47 6.333 -3.182 6.424 1.00 1.04 H new ATOM 0 HG3 LYS A 47 4.807 -2.864 7.226 1.00 1.04 H new ATOM 0 HD2 LYS A 47 5.613 -4.050 9.271 1.00 1.38 H new ATOM 0 HD3 LYS A 47 7.126 -4.428 8.471 1.00 1.38 H new ATOM 0 HE2 LYS A 47 7.529 -1.943 8.156 1.00 1.80 H new ATOM 0 HE3 LYS A 47 6.068 -1.621 9.068 1.00 1.80 H new ATOM 0 HZ1 LYS A 47 8.017 -1.469 10.454 1.00 2.51 H new ATOM 0 HZ2 LYS A 47 7.037 -2.756 10.968 1.00 2.51 H new ATOM 0 HZ3 LYS A 47 8.452 -3.068 10.084 1.00 2.51 H new ATOM 720 N TYR A 48 5.220 -7.258 4.198 1.00 0.95 N ATOM 721 CA TYR A 48 4.683 -8.432 3.526 1.00 0.95 C ATOM 722 C TYR A 48 5.756 -9.472 3.283 1.00 1.04 C ATOM 723 O TYR A 48 6.937 -9.150 3.354 1.00 1.21 O ATOM 724 CB TYR A 48 4.021 -8.053 2.185 1.00 0.98 C ATOM 725 CG TYR A 48 4.884 -7.576 1.021 1.00 1.00 C ATOM 726 CD1 TYR A 48 6.155 -6.985 1.189 1.00 2.44 C ATOM 727 CD2 TYR A 48 4.345 -7.670 -0.275 1.00 1.58 C ATOM 728 CE1 TYR A 48 6.887 -6.545 0.073 1.00 2.39 C ATOM 729 CE2 TYR A 48 5.064 -7.208 -1.388 1.00 1.70 C ATOM 730 CZ TYR A 48 6.339 -6.651 -1.214 1.00 1.07 C ATOM 731 OH TYR A 48 7.059 -6.245 -2.297 1.00 1.25 O ATOM 0 H TYR A 48 6.238 -7.197 4.188 1.00 0.95 H new ATOM 0 HA TYR A 48 3.928 -8.857 4.187 1.00 0.95 H new ATOM 0 HB2 TYR A 48 3.463 -8.924 1.840 1.00 0.98 H new ATOM 0 HB3 TYR A 48 3.293 -7.269 2.392 1.00 0.98 H new ATOM 0 HD1 TYR A 48 6.567 -6.870 2.181 1.00 2.44 H new ATOM 0 HD2 TYR A 48 3.366 -8.103 -0.415 1.00 1.58 H new ATOM 0 HE1 TYR A 48 7.873 -6.125 0.206 1.00 2.39 H new ATOM 0 HE2 TYR A 48 4.636 -7.281 -2.377 1.00 1.70 H new ATOM 0 HH TYR A 48 7.191 -7.003 -2.904 1.00 1.25 H new ATOM 741 N ASP A 49 5.353 -10.686 2.906 1.00 1.02 N ATOM 742 CA ASP A 49 6.284 -11.528 2.186 1.00 0.94 C ATOM 743 C ASP A 49 6.133 -11.194 0.700 1.00 0.89 C ATOM 744 O ASP A 49 5.031 -11.322 0.168 1.00 1.05 O ATOM 745 CB ASP A 49 6.027 -13.003 2.462 1.00 1.08 C ATOM 746 CG ASP A 49 7.190 -13.786 1.888 1.00 2.31 C ATOM 747 OD1 ASP A 49 7.381 -13.722 0.653 1.00 3.49 O ATOM 748 OD2 ASP A 49 7.938 -14.334 2.725 1.00 3.20 O ATOM 0 H ASP A 49 4.431 -11.087 3.080 1.00 1.02 H new ATOM 0 HA ASP A 49 7.306 -11.339 2.514 1.00 0.94 H new ATOM 0 HB2 ASP A 49 5.937 -13.182 3.533 1.00 1.08 H new ATOM 0 HB3 ASP A 49 5.089 -13.320 2.006 1.00 1.08 H new ATOM 753 N PRO A 50 7.180 -10.715 0.017 1.00 0.83 N ATOM 754 CA PRO A 50 7.091 -10.377 -1.388 1.00 0.86 C ATOM 755 C PRO A 50 6.854 -11.624 -2.239 1.00 0.93 C ATOM 756 O PRO A 50 6.076 -11.574 -3.192 1.00 1.34 O ATOM 757 CB PRO A 50 8.416 -9.688 -1.733 1.00 0.84 C ATOM 758 CG PRO A 50 9.395 -10.239 -0.698 1.00 0.87 C ATOM 759 CD PRO A 50 8.517 -10.484 0.525 1.00 0.88 C ATOM 0 HA PRO A 50 6.246 -9.720 -1.595 1.00 0.86 H new ATOM 0 HB2 PRO A 50 8.735 -9.921 -2.749 1.00 0.84 H new ATOM 0 HB3 PRO A 50 8.332 -8.603 -1.666 1.00 0.84 H new ATOM 0 HG2 PRO A 50 9.869 -11.158 -1.043 1.00 0.87 H new ATOM 0 HG3 PRO A 50 10.194 -9.529 -0.483 1.00 0.87 H new ATOM 0 HD2 PRO A 50 8.872 -11.343 1.094 1.00 0.88 H new ATOM 0 HD3 PRO A 50 8.536 -9.626 1.197 1.00 0.88 H new ATOM 767 N GLU A 51 7.495 -12.748 -1.913 1.00 0.93 N ATOM 768 CA GLU A 51 7.700 -13.869 -2.824 1.00 1.04 C ATOM 769 C GLU A 51 6.527 -14.851 -2.740 1.00 1.21 C ATOM 770 O GLU A 51 6.698 -16.064 -2.842 1.00 2.19 O ATOM 771 CB GLU A 51 9.073 -14.493 -2.524 1.00 1.50 C ATOM 772 CG GLU A 51 10.200 -13.570 -3.024 1.00 2.65 C ATOM 773 CD GLU A 51 11.498 -13.783 -2.262 1.00 3.30 C ATOM 774 OE1 GLU A 51 12.266 -14.694 -2.627 1.00 3.94 O ATOM 775 OE2 GLU A 51 11.714 -13.044 -1.274 1.00 3.90 O ATOM 0 H GLU A 51 7.894 -12.905 -0.987 1.00 0.93 H new ATOM 0 HA GLU A 51 7.716 -13.538 -3.863 1.00 1.04 H new ATOM 0 HB2 GLU A 51 9.178 -14.659 -1.452 1.00 1.50 H new ATOM 0 HB3 GLU A 51 9.151 -15.467 -3.006 1.00 1.50 H new ATOM 0 HG2 GLU A 51 10.370 -13.750 -4.086 1.00 2.65 H new ATOM 0 HG3 GLU A 51 9.888 -12.531 -2.923 1.00 2.65 H new ATOM 782 N ILE A 52 5.324 -14.289 -2.618 1.00 0.85 N ATOM 783 CA ILE A 52 4.044 -14.980 -2.689 1.00 0.85 C ATOM 784 C ILE A 52 3.019 -14.105 -3.416 1.00 0.84 C ATOM 785 O ILE A 52 2.351 -14.563 -4.340 1.00 1.08 O ATOM 786 CB ILE A 52 3.563 -15.433 -1.292 1.00 0.89 C ATOM 787 CG1 ILE A 52 3.592 -14.324 -0.229 1.00 0.84 C ATOM 788 CG2 ILE A 52 4.370 -16.653 -0.822 1.00 1.14 C ATOM 789 CD1 ILE A 52 3.058 -14.803 1.125 1.00 0.98 C ATOM 0 H ILE A 52 5.215 -13.287 -2.459 1.00 0.85 H new ATOM 0 HA ILE A 52 4.168 -15.894 -3.270 1.00 0.85 H new ATOM 0 HB ILE A 52 2.514 -15.704 -1.407 1.00 0.89 H new ATOM 0 HG12 ILE A 52 4.615 -13.966 -0.108 1.00 0.84 H new ATOM 0 HG13 ILE A 52 2.997 -13.478 -0.573 1.00 0.84 H new ATOM 0 HG21 ILE A 52 4.021 -16.962 0.163 1.00 1.14 H new ATOM 0 HG22 ILE A 52 4.235 -17.472 -1.528 1.00 1.14 H new ATOM 0 HG23 ILE A 52 5.427 -16.391 -0.767 1.00 1.14 H new ATOM 0 HD11 ILE A 52 3.099 -13.984 1.843 1.00 0.98 H new ATOM 0 HD12 ILE A 52 2.026 -15.135 1.012 1.00 0.98 H new ATOM 0 HD13 ILE A 52 3.669 -15.631 1.485 1.00 0.98 H new ATOM 801 N ILE A 53 2.904 -12.844 -2.998 1.00 0.81 N ATOM 802 CA ILE A 53 1.933 -11.882 -3.515 1.00 0.81 C ATOM 803 C ILE A 53 2.546 -11.004 -4.611 1.00 0.76 C ATOM 804 O ILE A 53 1.921 -10.751 -5.640 1.00 0.96 O ATOM 805 CB ILE A 53 1.330 -11.070 -2.349 1.00 0.92 C ATOM 806 CG1 ILE A 53 0.482 -9.904 -2.872 1.00 1.19 C ATOM 807 CG2 ILE A 53 2.372 -10.527 -1.363 1.00 0.92 C ATOM 808 CD1 ILE A 53 -0.600 -9.520 -1.865 1.00 1.30 C ATOM 0 H ILE A 53 3.502 -12.454 -2.269 1.00 0.81 H new ATOM 0 HA ILE A 53 1.114 -12.418 -3.994 1.00 0.81 H new ATOM 0 HB ILE A 53 0.707 -11.778 -1.803 1.00 0.92 H new ATOM 0 HG12 ILE A 53 1.122 -9.044 -3.069 1.00 1.19 H new ATOM 0 HG13 ILE A 53 0.020 -10.182 -3.819 1.00 1.19 H new ATOM 0 HG21 ILE A 53 1.869 -9.968 -0.573 1.00 0.92 H new ATOM 0 HG22 ILE A 53 2.925 -11.357 -0.924 1.00 0.92 H new ATOM 0 HG23 ILE A 53 3.063 -9.869 -1.890 1.00 0.92 H new ATOM 0 HD11 ILE A 53 -1.187 -8.691 -2.260 1.00 1.30 H new ATOM 0 HD12 ILE A 53 -1.253 -10.375 -1.688 1.00 1.30 H new ATOM 0 HD13 ILE A 53 -0.134 -9.220 -0.927 1.00 1.30 H new ATOM 820 N GLY A 54 3.774 -10.539 -4.395 1.00 0.82 N ATOM 821 CA GLY A 54 4.455 -9.612 -5.278 1.00 0.79 C ATOM 822 C GLY A 54 3.956 -8.174 -5.077 1.00 0.67 C ATOM 823 O GLY A 54 2.804 -7.948 -4.714 1.00 0.64 O ATOM 0 H GLY A 54 4.330 -10.805 -3.582 1.00 0.82 H new ATOM 0 HA2 GLY A 54 5.529 -9.655 -5.094 1.00 0.79 H new ATOM 0 HA3 GLY A 54 4.297 -9.912 -6.314 1.00 0.79 H new ATOM 827 N PRO A 55 4.815 -7.171 -5.320 1.00 0.68 N ATOM 828 CA PRO A 55 4.448 -5.765 -5.212 1.00 0.66 C ATOM 829 C PRO A 55 3.385 -5.373 -6.247 1.00 0.64 C ATOM 830 O PRO A 55 2.601 -4.457 -6.010 1.00 0.65 O ATOM 831 CB PRO A 55 5.752 -4.988 -5.418 1.00 0.81 C ATOM 832 CG PRO A 55 6.622 -5.939 -6.243 1.00 0.87 C ATOM 833 CD PRO A 55 6.192 -7.324 -5.760 1.00 0.79 C ATOM 0 HA PRO A 55 3.998 -5.543 -4.244 1.00 0.66 H new ATOM 0 HB2 PRO A 55 5.578 -4.049 -5.943 1.00 0.81 H new ATOM 0 HB3 PRO A 55 6.223 -4.739 -4.467 1.00 0.81 H new ATOM 0 HG2 PRO A 55 6.450 -5.815 -7.312 1.00 0.87 H new ATOM 0 HG3 PRO A 55 7.684 -5.765 -6.069 1.00 0.87 H new ATOM 0 HD2 PRO A 55 6.269 -8.060 -6.560 1.00 0.79 H new ATOM 0 HD3 PRO A 55 6.828 -7.671 -4.946 1.00 0.79 H new ATOM 841 N ARG A 56 3.373 -6.047 -7.402 1.00 0.66 N ATOM 842 CA ARG A 56 2.468 -5.740 -8.501 1.00 0.71 C ATOM 843 C ARG A 56 1.007 -5.778 -8.050 1.00 0.63 C ATOM 844 O ARG A 56 0.280 -4.815 -8.275 1.00 0.63 O ATOM 845 CB ARG A 56 2.711 -6.706 -9.669 1.00 0.81 C ATOM 846 CG ARG A 56 4.113 -6.521 -10.265 1.00 1.90 C ATOM 847 CD ARG A 56 4.354 -7.528 -11.394 1.00 2.33 C ATOM 848 NE ARG A 56 5.704 -7.369 -11.960 1.00 3.59 N ATOM 849 CZ ARG A 56 6.266 -8.197 -12.856 1.00 4.62 C ATOM 850 NH1 ARG A 56 5.574 -9.245 -13.319 1.00 4.87 N ATOM 851 NH2 ARG A 56 7.515 -7.975 -13.282 1.00 5.95 N ATOM 0 H ARG A 56 4.000 -6.828 -7.596 1.00 0.66 H new ATOM 0 HA ARG A 56 2.674 -4.725 -8.840 1.00 0.71 H new ATOM 0 HB2 ARG A 56 2.593 -7.733 -9.324 1.00 0.81 H new ATOM 0 HB3 ARG A 56 1.960 -6.541 -10.442 1.00 0.81 H new ATOM 0 HG2 ARG A 56 4.221 -5.506 -10.646 1.00 1.90 H new ATOM 0 HG3 ARG A 56 4.865 -6.651 -9.487 1.00 1.90 H new ATOM 0 HD2 ARG A 56 4.232 -8.542 -11.014 1.00 2.33 H new ATOM 0 HD3 ARG A 56 3.608 -7.388 -12.177 1.00 2.33 H new ATOM 0 HE ARG A 56 6.254 -6.569 -11.648 1.00 3.59 H new ATOM 0 HH11 ARG A 56 4.623 -9.413 -12.991 1.00 4.87 H new ATOM 0 HH12 ARG A 56 5.998 -9.876 -13.999 1.00 4.87 H new ATOM 0 HH21 ARG A 56 8.041 -7.177 -12.926 1.00 5.95 H new ATOM 0 HH22 ARG A 56 7.941 -8.604 -13.962 1.00 5.95 H new ATOM 865 N ASP A 57 0.582 -6.878 -7.417 1.00 0.59 N ATOM 866 CA ASP A 57 -0.792 -7.057 -6.950 1.00 0.56 C ATOM 867 C ASP A 57 -1.228 -5.838 -6.141 1.00 0.48 C ATOM 868 O ASP A 57 -2.218 -5.171 -6.441 1.00 0.47 O ATOM 869 CB ASP A 57 -0.884 -8.319 -6.080 1.00 0.59 C ATOM 870 CG ASP A 57 -2.295 -8.493 -5.525 1.00 1.54 C ATOM 871 OD1 ASP A 57 -3.233 -8.478 -6.347 1.00 2.48 O ATOM 872 OD2 ASP A 57 -2.423 -8.618 -4.287 1.00 2.52 O ATOM 0 H ASP A 57 1.189 -7.673 -7.215 1.00 0.59 H new ATOM 0 HA ASP A 57 -1.451 -7.167 -7.811 1.00 0.56 H new ATOM 0 HB2 ASP A 57 -0.610 -9.194 -6.670 1.00 0.59 H new ATOM 0 HB3 ASP A 57 -0.171 -8.253 -5.258 1.00 0.59 H new ATOM 877 N ILE A 58 -0.424 -5.532 -5.125 1.00 0.47 N ATOM 878 CA ILE A 58 -0.603 -4.399 -4.240 1.00 0.45 C ATOM 879 C ILE A 58 -0.709 -3.110 -5.051 1.00 0.46 C ATOM 880 O ILE A 58 -1.737 -2.443 -4.991 1.00 0.45 O ATOM 881 CB ILE A 58 0.546 -4.402 -3.218 1.00 0.49 C ATOM 882 CG1 ILE A 58 0.350 -5.595 -2.264 1.00 0.53 C ATOM 883 CG2 ILE A 58 0.630 -3.087 -2.435 1.00 0.52 C ATOM 884 CD1 ILE A 58 1.654 -6.028 -1.598 1.00 0.72 C ATOM 0 H ILE A 58 0.397 -6.090 -4.893 1.00 0.47 H new ATOM 0 HA ILE A 58 -1.537 -4.469 -3.683 1.00 0.45 H new ATOM 0 HB ILE A 58 1.490 -4.500 -3.754 1.00 0.49 H new ATOM 0 HG12 ILE A 58 -0.376 -5.327 -1.496 1.00 0.53 H new ATOM 0 HG13 ILE A 58 -0.068 -6.435 -2.818 1.00 0.53 H new ATOM 0 HG21 ILE A 58 1.456 -3.138 -1.726 1.00 0.52 H new ATOM 0 HG22 ILE A 58 0.796 -2.261 -3.127 1.00 0.52 H new ATOM 0 HG23 ILE A 58 -0.302 -2.925 -1.894 1.00 0.52 H new ATOM 0 HD11 ILE A 58 1.461 -6.872 -0.936 1.00 0.72 H new ATOM 0 HD12 ILE A 58 2.372 -6.323 -2.363 1.00 0.72 H new ATOM 0 HD13 ILE A 58 2.060 -5.198 -1.020 1.00 0.72 H new ATOM 896 N ILE A 59 0.327 -2.751 -5.811 1.00 0.52 N ATOM 897 CA ILE A 59 0.347 -1.504 -6.568 1.00 0.57 C ATOM 898 C ILE A 59 -0.896 -1.388 -7.459 1.00 0.56 C ATOM 899 O ILE A 59 -1.566 -0.355 -7.458 1.00 0.59 O ATOM 900 CB ILE A 59 1.683 -1.384 -7.335 1.00 0.66 C ATOM 901 CG1 ILE A 59 2.818 -1.017 -6.367 1.00 0.98 C ATOM 902 CG2 ILE A 59 1.619 -0.367 -8.483 1.00 0.84 C ATOM 903 CD1 ILE A 59 4.208 -1.332 -6.930 1.00 1.38 C ATOM 0 H ILE A 59 1.170 -3.315 -5.917 1.00 0.52 H new ATOM 0 HA ILE A 59 0.298 -0.652 -5.890 1.00 0.57 H new ATOM 0 HB ILE A 59 1.881 -2.358 -7.783 1.00 0.66 H new ATOM 0 HG12 ILE A 59 2.759 0.046 -6.132 1.00 0.98 H new ATOM 0 HG13 ILE A 59 2.680 -1.558 -5.431 1.00 0.98 H new ATOM 0 HG21 ILE A 59 2.585 -0.325 -8.986 1.00 0.84 H new ATOM 0 HG22 ILE A 59 0.852 -0.670 -9.195 1.00 0.84 H new ATOM 0 HG23 ILE A 59 1.374 0.617 -8.084 1.00 0.84 H new ATOM 0 HD11 ILE A 59 4.968 -1.051 -6.201 1.00 1.38 H new ATOM 0 HD12 ILE A 59 4.283 -2.399 -7.139 1.00 1.38 H new ATOM 0 HD13 ILE A 59 4.363 -0.770 -7.851 1.00 1.38 H new ATOM 915 N HIS A 60 -1.227 -2.448 -8.195 1.00 0.56 N ATOM 916 CA HIS A 60 -2.370 -2.469 -9.099 1.00 0.59 C ATOM 917 C HIS A 60 -3.662 -2.280 -8.302 1.00 0.56 C ATOM 918 O HIS A 60 -4.550 -1.527 -8.702 1.00 0.63 O ATOM 919 CB HIS A 60 -2.405 -3.788 -9.882 1.00 0.67 C ATOM 920 CG HIS A 60 -1.351 -3.948 -10.956 1.00 1.19 C ATOM 921 ND1 HIS A 60 -1.528 -4.639 -12.135 1.00 2.29 N ATOM 922 CD2 HIS A 60 -0.051 -3.508 -10.935 1.00 2.10 C ATOM 923 CE1 HIS A 60 -0.361 -4.615 -12.801 1.00 2.55 C ATOM 924 NE2 HIS A 60 0.573 -3.946 -12.107 1.00 2.34 N ATOM 0 H HIS A 60 -0.703 -3.323 -8.179 1.00 0.56 H new ATOM 0 HA HIS A 60 -2.276 -1.651 -9.814 1.00 0.59 H new ATOM 0 HB2 HIS A 60 -2.303 -4.611 -9.174 1.00 0.67 H new ATOM 0 HB3 HIS A 60 -3.386 -3.887 -10.346 1.00 0.67 H new ATOM 0 HD2 HIS A 60 0.409 -2.926 -10.151 1.00 2.10 H new ATOM 0 HE1 HIS A 60 -0.197 -5.073 -13.765 1.00 2.55 H new ATOM 0 HE2 HIS A 60 1.543 -3.789 -12.380 1.00 2.34 H new ATOM 932 N THR A 61 -3.769 -2.956 -7.156 1.00 0.50 N ATOM 933 CA THR A 61 -4.935 -2.815 -6.302 1.00 0.49 C ATOM 934 C THR A 61 -5.054 -1.363 -5.851 1.00 0.43 C ATOM 935 O THR A 61 -6.100 -0.751 -6.035 1.00 0.47 O ATOM 936 CB THR A 61 -4.879 -3.793 -5.120 1.00 0.51 C ATOM 937 OG1 THR A 61 -4.838 -5.114 -5.613 1.00 0.61 O ATOM 938 CG2 THR A 61 -6.128 -3.667 -4.241 1.00 0.59 C ATOM 0 H THR A 61 -3.062 -3.602 -6.805 1.00 0.50 H new ATOM 0 HA THR A 61 -5.832 -3.072 -6.865 1.00 0.49 H new ATOM 0 HB THR A 61 -3.992 -3.559 -4.531 1.00 0.51 H new ATOM 0 HG1 THR A 61 -3.938 -5.311 -5.946 1.00 0.61 H new ATOM 0 HG21 THR A 61 -6.062 -4.371 -3.412 1.00 0.59 H new ATOM 0 HG22 THR A 61 -6.197 -2.652 -3.850 1.00 0.59 H new ATOM 0 HG23 THR A 61 -7.015 -3.888 -4.835 1.00 0.59 H new ATOM 946 N ILE A 62 -3.998 -0.801 -5.262 1.00 0.38 N ATOM 947 CA ILE A 62 -4.044 0.545 -4.709 1.00 0.42 C ATOM 948 C ILE A 62 -4.314 1.580 -5.804 1.00 0.48 C ATOM 949 O ILE A 62 -5.073 2.518 -5.569 1.00 0.53 O ATOM 950 CB ILE A 62 -2.795 0.825 -3.851 1.00 0.57 C ATOM 951 CG1 ILE A 62 -2.654 -0.175 -2.683 1.00 0.65 C ATOM 952 CG2 ILE A 62 -2.831 2.251 -3.284 1.00 0.72 C ATOM 953 CD1 ILE A 62 -3.971 -0.498 -1.972 1.00 1.67 C ATOM 0 H ILE A 62 -3.096 -1.265 -5.157 1.00 0.38 H new ATOM 0 HA ILE A 62 -4.889 0.630 -4.026 1.00 0.42 H new ATOM 0 HB ILE A 62 -1.935 0.710 -4.510 1.00 0.57 H new ATOM 0 HG12 ILE A 62 -2.222 -1.101 -3.062 1.00 0.65 H new ATOM 0 HG13 ILE A 62 -1.951 0.230 -1.955 1.00 0.65 H new ATOM 0 HG21 ILE A 62 -1.939 2.426 -2.682 1.00 0.72 H new ATOM 0 HG22 ILE A 62 -2.861 2.968 -4.104 1.00 0.72 H new ATOM 0 HG23 ILE A 62 -3.718 2.373 -2.663 1.00 0.72 H new ATOM 0 HD11 ILE A 62 -3.785 -1.207 -1.165 1.00 1.67 H new ATOM 0 HD12 ILE A 62 -4.396 0.417 -1.560 1.00 1.67 H new ATOM 0 HD13 ILE A 62 -4.671 -0.935 -2.684 1.00 1.67 H new ATOM 965 N GLU A 63 -3.751 1.395 -7.002 1.00 0.51 N ATOM 966 CA GLU A 63 -4.104 2.171 -8.171 1.00 0.63 C ATOM 967 C GLU A 63 -5.623 2.119 -8.371 1.00 0.64 C ATOM 968 O GLU A 63 -6.316 3.122 -8.191 1.00 0.77 O ATOM 969 CB GLU A 63 -3.286 1.609 -9.339 1.00 0.75 C ATOM 970 CG GLU A 63 -3.466 2.368 -10.648 1.00 0.93 C ATOM 971 CD GLU A 63 -4.752 2.001 -11.381 1.00 2.07 C ATOM 972 OE1 GLU A 63 -5.000 0.783 -11.512 1.00 2.59 O ATOM 973 OE2 GLU A 63 -5.466 2.942 -11.785 1.00 3.61 O ATOM 0 H GLU A 63 -3.032 0.693 -7.178 1.00 0.51 H new ATOM 0 HA GLU A 63 -3.863 3.230 -8.075 1.00 0.63 H new ATOM 0 HB2 GLU A 63 -2.230 1.620 -9.068 1.00 0.75 H new ATOM 0 HB3 GLU A 63 -3.564 0.567 -9.495 1.00 0.75 H new ATOM 0 HG2 GLU A 63 -3.465 3.439 -10.443 1.00 0.93 H new ATOM 0 HG3 GLU A 63 -2.614 2.167 -11.298 1.00 0.93 H new ATOM 980 N SER A 64 -6.143 0.922 -8.657 1.00 0.62 N ATOM 981 CA SER A 64 -7.554 0.709 -8.950 1.00 0.71 C ATOM 982 C SER A 64 -8.471 1.127 -7.793 1.00 0.54 C ATOM 983 O SER A 64 -9.645 1.414 -8.017 1.00 0.54 O ATOM 984 CB SER A 64 -7.779 -0.755 -9.337 1.00 0.89 C ATOM 985 OG SER A 64 -9.122 -0.970 -9.739 1.00 1.20 O ATOM 0 H SER A 64 -5.586 0.068 -8.691 1.00 0.62 H new ATOM 0 HA SER A 64 -7.822 1.351 -9.789 1.00 0.71 H new ATOM 0 HB2 SER A 64 -7.104 -1.029 -10.148 1.00 0.89 H new ATOM 0 HB3 SER A 64 -7.540 -1.400 -8.491 1.00 0.89 H new ATOM 0 HG SER A 64 -9.244 -1.911 -9.983 1.00 1.20 H new ATOM 991 N LEU A 65 -7.963 1.135 -6.558 1.00 0.51 N ATOM 992 CA LEU A 65 -8.678 1.562 -5.360 1.00 0.51 C ATOM 993 C LEU A 65 -8.855 3.090 -5.322 1.00 0.58 C ATOM 994 O LEU A 65 -9.558 3.609 -4.448 1.00 0.86 O ATOM 995 CB LEU A 65 -7.934 0.999 -4.138 1.00 0.70 C ATOM 996 CG LEU A 65 -8.708 1.036 -2.816 1.00 1.16 C ATOM 997 CD1 LEU A 65 -9.921 0.098 -2.819 1.00 2.19 C ATOM 998 CD2 LEU A 65 -7.766 0.628 -1.677 1.00 2.30 C ATOM 0 H LEU A 65 -7.009 0.833 -6.361 1.00 0.51 H new ATOM 0 HA LEU A 65 -9.694 1.167 -5.358 1.00 0.51 H new ATOM 0 HB2 LEU A 65 -7.658 -0.034 -4.348 1.00 0.70 H new ATOM 0 HB3 LEU A 65 -7.006 1.557 -4.011 1.00 0.70 H new ATOM 0 HG LEU A 65 -9.078 2.052 -2.679 1.00 1.16 H new ATOM 0 HD11 LEU A 65 -10.434 0.163 -1.859 1.00 2.19 H new ATOM 0 HD12 LEU A 65 -10.605 0.390 -3.616 1.00 2.19 H new ATOM 0 HD13 LEU A 65 -9.588 -0.927 -2.984 1.00 2.19 H new ATOM 0 HD21 LEU A 65 -8.307 0.651 -0.731 1.00 2.30 H new ATOM 0 HD22 LEU A 65 -7.393 -0.380 -1.857 1.00 2.30 H new ATOM 0 HD23 LEU A 65 -6.927 1.323 -1.632 1.00 2.30 H new ATOM 1010 N GLY A 66 -8.266 3.807 -6.285 1.00 0.57 N ATOM 1011 CA GLY A 66 -8.511 5.214 -6.551 1.00 0.70 C ATOM 1012 C GLY A 66 -7.404 6.076 -5.964 1.00 0.58 C ATOM 1013 O GLY A 66 -7.695 7.075 -5.308 1.00 0.76 O ATOM 0 H GLY A 66 -7.580 3.400 -6.921 1.00 0.57 H new ATOM 0 HA2 GLY A 66 -8.575 5.379 -7.626 1.00 0.70 H new ATOM 0 HA3 GLY A 66 -9.471 5.507 -6.126 1.00 0.70 H new ATOM 1017 N PHE A 67 -6.146 5.696 -6.208 1.00 0.47 N ATOM 1018 CA PHE A 67 -4.972 6.396 -5.703 1.00 0.44 C ATOM 1019 C PHE A 67 -3.861 6.345 -6.745 1.00 0.58 C ATOM 1020 O PHE A 67 -3.988 5.624 -7.731 1.00 0.82 O ATOM 1021 CB PHE A 67 -4.501 5.733 -4.402 1.00 0.47 C ATOM 1022 CG PHE A 67 -5.550 5.702 -3.312 1.00 0.47 C ATOM 1023 CD1 PHE A 67 -6.005 6.913 -2.770 1.00 1.56 C ATOM 1024 CD2 PHE A 67 -6.173 4.494 -2.951 1.00 1.74 C ATOM 1025 CE1 PHE A 67 -7.113 6.927 -1.909 1.00 1.55 C ATOM 1026 CE2 PHE A 67 -7.223 4.499 -2.019 1.00 1.76 C ATOM 1027 CZ PHE A 67 -7.689 5.715 -1.494 1.00 0.53 C ATOM 0 H PHE A 67 -5.916 4.878 -6.773 1.00 0.47 H new ATOM 0 HA PHE A 67 -5.225 7.437 -5.502 1.00 0.44 H new ATOM 0 HB2 PHE A 67 -4.188 4.712 -4.619 1.00 0.47 H new ATOM 0 HB3 PHE A 67 -3.624 6.264 -4.033 1.00 0.47 H new ATOM 0 HD1 PHE A 67 -5.502 7.836 -3.016 1.00 1.56 H new ATOM 0 HD2 PHE A 67 -5.844 3.564 -3.390 1.00 1.74 H new ATOM 0 HE1 PHE A 67 -7.521 7.866 -1.567 1.00 1.55 H new ATOM 0 HE2 PHE A 67 -7.672 3.568 -1.706 1.00 1.76 H new ATOM 0 HZ PHE A 67 -8.491 5.718 -0.771 1.00 0.53 H new ATOM 1037 N GLU A 68 -2.763 7.073 -6.512 1.00 0.56 N ATOM 1038 CA GLU A 68 -1.610 7.083 -7.410 1.00 0.65 C ATOM 1039 C GLU A 68 -0.371 6.484 -6.733 1.00 0.63 C ATOM 1040 O GLU A 68 0.486 7.248 -6.287 1.00 0.70 O ATOM 1041 CB GLU A 68 -1.320 8.513 -7.892 1.00 0.81 C ATOM 1042 CG GLU A 68 -2.545 9.295 -8.390 1.00 2.10 C ATOM 1043 CD GLU A 68 -2.159 10.733 -8.706 1.00 3.00 C ATOM 1044 OE1 GLU A 68 -1.112 10.925 -9.364 1.00 3.12 O ATOM 1045 OE2 GLU A 68 -2.839 11.655 -8.208 1.00 4.30 O ATOM 0 H GLU A 68 -2.652 7.671 -5.694 1.00 0.56 H new ATOM 0 HA GLU A 68 -1.852 6.463 -8.273 1.00 0.65 H new ATOM 0 HB2 GLU A 68 -0.861 9.069 -7.074 1.00 0.81 H new ATOM 0 HB3 GLU A 68 -0.586 8.467 -8.697 1.00 0.81 H new ATOM 0 HG2 GLU A 68 -2.953 8.817 -9.280 1.00 2.10 H new ATOM 0 HG3 GLU A 68 -3.328 9.279 -7.632 1.00 2.10 H new ATOM 1052 N PRO A 69 -0.251 5.150 -6.619 1.00 0.64 N ATOM 1053 CA PRO A 69 0.861 4.520 -5.926 1.00 0.69 C ATOM 1054 C PRO A 69 2.151 4.553 -6.744 1.00 0.69 C ATOM 1055 O PRO A 69 2.416 3.646 -7.529 1.00 1.06 O ATOM 1056 CB PRO A 69 0.399 3.093 -5.620 1.00 0.79 C ATOM 1057 CG PRO A 69 -0.567 2.795 -6.763 1.00 0.76 C ATOM 1058 CD PRO A 69 -1.231 4.150 -7.018 1.00 0.70 C ATOM 0 HA PRO A 69 1.111 5.057 -5.011 1.00 0.69 H new ATOM 0 HB2 PRO A 69 1.234 2.393 -5.604 1.00 0.79 H new ATOM 0 HB3 PRO A 69 -0.091 3.027 -4.649 1.00 0.79 H new ATOM 0 HG2 PRO A 69 -0.045 2.429 -7.647 1.00 0.76 H new ATOM 0 HG3 PRO A 69 -1.297 2.034 -6.486 1.00 0.76 H new ATOM 0 HD2 PRO A 69 -1.500 4.263 -8.068 1.00 0.70 H new ATOM 0 HD3 PRO A 69 -2.150 4.250 -6.441 1.00 0.70 H new ATOM 1066 N SER A 70 2.983 5.574 -6.520 1.00 0.76 N ATOM 1067 CA SER A 70 4.324 5.642 -7.079 1.00 0.79 C ATOM 1068 C SER A 70 5.340 5.152 -6.052 1.00 0.83 C ATOM 1069 O SER A 70 5.282 5.487 -4.868 1.00 1.04 O ATOM 1070 CB SER A 70 4.659 7.067 -7.511 1.00 0.94 C ATOM 1071 OG SER A 70 5.844 7.099 -8.288 1.00 2.17 O ATOM 0 H SER A 70 2.738 6.378 -5.942 1.00 0.76 H new ATOM 0 HA SER A 70 4.365 5.000 -7.959 1.00 0.79 H new ATOM 0 HB2 SER A 70 3.831 7.480 -8.087 1.00 0.94 H new ATOM 0 HB3 SER A 70 4.780 7.698 -6.631 1.00 0.94 H new ATOM 0 HG SER A 70 6.036 8.023 -8.554 1.00 2.17 H new ATOM 1077 N LEU A 71 6.317 4.397 -6.542 1.00 0.86 N ATOM 1078 CA LEU A 71 7.454 3.926 -5.779 1.00 0.92 C ATOM 1079 C LEU A 71 8.530 5.010 -5.838 1.00 1.17 C ATOM 1080 O LEU A 71 9.155 5.202 -6.877 1.00 1.73 O ATOM 1081 CB LEU A 71 7.933 2.586 -6.362 1.00 1.02 C ATOM 1082 CG LEU A 71 8.342 1.621 -5.247 1.00 2.24 C ATOM 1083 CD1 LEU A 71 8.745 0.271 -5.853 1.00 2.88 C ATOM 1084 CD2 LEU A 71 9.496 2.164 -4.396 1.00 3.63 C ATOM 0 H LEU A 71 6.335 4.089 -7.514 1.00 0.86 H new ATOM 0 HA LEU A 71 7.199 3.746 -4.735 1.00 0.92 H new ATOM 0 HB2 LEU A 71 7.139 2.141 -6.961 1.00 1.02 H new ATOM 0 HB3 LEU A 71 8.778 2.756 -7.029 1.00 1.02 H new ATOM 0 HG LEU A 71 7.480 1.501 -4.591 1.00 2.24 H new ATOM 0 HD11 LEU A 71 9.036 -0.413 -5.056 1.00 2.88 H new ATOM 0 HD12 LEU A 71 7.901 -0.148 -6.401 1.00 2.88 H new ATOM 0 HD13 LEU A 71 9.585 0.414 -6.533 1.00 2.88 H new ATOM 0 HD21 LEU A 71 9.747 1.441 -3.620 1.00 3.63 H new ATOM 0 HD22 LEU A 71 10.367 2.334 -5.029 1.00 3.63 H new ATOM 0 HD23 LEU A 71 9.196 3.104 -3.933 1.00 3.63 H new