USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 980 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 113 SER OG : rot 180:sc= 0.438 USER MOD Set 1.2: A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 142:sc= 0.0129 (180deg=0) USER MOD Single : A 3 MET CE :methyl -158:sc= -0.14 (180deg=-0.696) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 1.04 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -83:sc= 1.25 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS : no HD1:sc= 1.13 K(o=1.1,f=-3.6!) USER MOD Single : A 35 THR OG1 : rot -174:sc= 0.463 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.799 X(o=-0.8,f=-0.38) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot -111:sc= -1.16 USER MOD Single : A 48 GLN : amide:sc= -1.94! C(o=-1.9!,f=-4.7!) USER MOD Single : A 55 HIS : no HE2:sc= 1.11 K(o=1.1,f=-3.4!) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.0744 X(o=-0.074,f=-0.32) USER MOD Single : A 67 ASN :FLIP amide:sc= -1.09 F(o=-2.3!,f=-1.1) USER MOD Single : A 71 THR OG1 : rot -7:sc= -1 USER MOD Single : A 73 ASN : amide:sc= -1.22! C(o=-1.2!,f=-4.9!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -174:sc= 0 (180deg=-0.00494) USER MOD Single : A 92 TYR OH : rot 180:sc= 0.0528 USER MOD Single : A 99 LYS NZ :NH3+ -151:sc= 1.25 (180deg=1.22) USER MOD Single : A 105 ASN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 116 GLN : amide:sc= -1.29! C(o=-1.3!,f=-1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.163 -21.232 5.031 1.00 9.84 N ATOM 2 CA GLY A 1 -17.626 -21.791 3.738 1.00 9.33 C ATOM 3 C GLY A 1 -16.704 -21.406 2.604 1.00 8.55 C ATOM 4 O GLY A 1 -16.216 -20.277 2.559 1.00 8.34 O ATOM 0 H1 GLY A 1 -17.985 -20.931 5.593 1.00 9.84 H new ATOM 0 H2 GLY A 1 -16.634 -21.959 5.554 1.00 9.84 H new ATOM 0 H3 GLY A 1 -16.546 -20.414 4.854 1.00 9.84 H new ATOM 0 HA2 GLY A 1 -17.682 -22.877 3.810 1.00 9.33 H new ATOM 0 HA3 GLY A 1 -18.634 -21.433 3.526 1.00 9.33 H new ATOM 10 N ALA A 2 -16.461 -22.339 1.688 1.00 8.39 N ATOM 11 CA ALA A 2 -15.552 -22.100 0.573 1.00 7.95 C ATOM 12 C ALA A 2 -16.075 -20.979 -0.312 1.00 7.24 C ATOM 13 O ALA A 2 -15.457 -19.919 -0.424 1.00 7.25 O ATOM 14 CB ALA A 2 -15.357 -23.376 -0.235 1.00 8.62 C ATOM 0 H ALA A 2 -16.882 -23.268 1.697 1.00 8.39 H new ATOM 0 HA ALA A 2 -14.585 -21.795 0.974 1.00 7.95 H new ATOM 0 HB1 ALA A 2 -14.676 -23.181 -1.064 1.00 8.62 H new ATOM 0 HB2 ALA A 2 -14.937 -24.152 0.405 1.00 8.62 H new ATOM 0 HB3 ALA A 2 -16.318 -23.710 -0.626 1.00 8.62 H new ATOM 20 N MET A 3 -17.232 -21.204 -0.910 1.00 6.97 N ATOM 21 CA MET A 3 -17.860 -20.206 -1.764 1.00 6.66 C ATOM 22 C MET A 3 -18.954 -19.464 -0.997 1.00 5.89 C ATOM 23 O MET A 3 -20.048 -19.236 -1.511 1.00 5.94 O ATOM 24 CB MET A 3 -18.441 -20.860 -3.026 1.00 7.35 C ATOM 25 CG MET A 3 -19.396 -22.012 -2.738 1.00 8.09 C ATOM 26 SD MET A 3 -20.173 -22.668 -4.227 1.00 8.78 S ATOM 27 CE MET A 3 -21.148 -21.258 -4.744 1.00 9.31 C ATOM 0 H MET A 3 -17.759 -22.073 -0.820 1.00 6.97 H new ATOM 0 HA MET A 3 -17.099 -19.488 -2.070 1.00 6.66 H new ATOM 0 HB2 MET A 3 -18.966 -20.102 -3.608 1.00 7.35 H new ATOM 0 HB3 MET A 3 -17.621 -21.226 -3.644 1.00 7.35 H new ATOM 0 HG2 MET A 3 -18.852 -22.812 -2.236 1.00 8.09 H new ATOM 0 HG3 MET A 3 -20.170 -21.672 -2.050 1.00 8.09 H new ATOM 0 HE1 MET A 3 -21.961 -21.594 -5.387 1.00 9.31 H new ATOM 0 HE2 MET A 3 -21.561 -20.760 -3.867 1.00 9.31 H new ATOM 0 HE3 MET A 3 -20.516 -20.560 -5.293 1.00 9.31 H new ATOM 37 N GLY A 4 -18.651 -19.092 0.238 1.00 5.55 N ATOM 38 CA GLY A 4 -19.623 -18.400 1.062 1.00 5.17 C ATOM 39 C GLY A 4 -19.174 -17.003 1.434 1.00 4.35 C ATOM 40 O GLY A 4 -19.680 -16.413 2.387 1.00 4.64 O ATOM 0 H GLY A 4 -17.749 -19.257 0.685 1.00 5.55 H new ATOM 0 HA2 GLY A 4 -20.572 -18.344 0.529 1.00 5.17 H new ATOM 0 HA3 GLY A 4 -19.801 -18.976 1.970 1.00 5.17 H new ATOM 44 N MET A 5 -18.222 -16.468 0.684 1.00 3.80 N ATOM 45 CA MET A 5 -17.697 -15.136 0.957 1.00 3.46 C ATOM 46 C MET A 5 -17.768 -14.265 -0.290 1.00 2.69 C ATOM 47 O MET A 5 -16.966 -14.417 -1.212 1.00 3.15 O ATOM 48 CB MET A 5 -16.250 -15.214 1.454 1.00 4.10 C ATOM 49 CG MET A 5 -16.081 -15.997 2.746 1.00 4.56 C ATOM 50 SD MET A 5 -14.363 -16.088 3.281 1.00 5.55 S ATOM 51 CE MET A 5 -14.529 -17.069 4.769 1.00 6.19 C ATOM 0 H MET A 5 -17.797 -16.934 -0.118 1.00 3.80 H new ATOM 0 HA MET A 5 -18.312 -14.687 1.737 1.00 3.46 H new ATOM 0 HB2 MET A 5 -15.635 -15.673 0.680 1.00 4.10 H new ATOM 0 HB3 MET A 5 -15.873 -14.202 1.602 1.00 4.10 H new ATOM 0 HG2 MET A 5 -16.678 -15.531 3.530 1.00 4.56 H new ATOM 0 HG3 MET A 5 -16.469 -17.006 2.608 1.00 4.56 H new ATOM 0 HE1 MET A 5 -13.548 -17.215 5.220 1.00 6.19 H new ATOM 0 HE2 MET A 5 -15.180 -16.553 5.475 1.00 6.19 H new ATOM 0 HE3 MET A 5 -14.961 -18.038 4.520 1.00 6.19 H new ATOM 61 N SER A 6 -18.731 -13.361 -0.319 1.00 2.04 N ATOM 62 CA SER A 6 -18.888 -12.448 -1.437 1.00 1.62 C ATOM 63 C SER A 6 -18.938 -11.004 -0.935 1.00 1.22 C ATOM 64 O SER A 6 -20.010 -10.399 -0.844 1.00 1.33 O ATOM 65 CB SER A 6 -20.159 -12.792 -2.226 1.00 2.15 C ATOM 66 OG SER A 6 -20.282 -11.991 -3.392 1.00 2.78 O ATOM 0 H SER A 6 -19.420 -13.239 0.424 1.00 2.04 H new ATOM 0 HA SER A 6 -18.031 -12.552 -2.102 1.00 1.62 H new ATOM 0 HB2 SER A 6 -20.140 -13.845 -2.507 1.00 2.15 H new ATOM 0 HB3 SER A 6 -21.033 -12.648 -1.591 1.00 2.15 H new ATOM 0 HG SER A 6 -21.100 -12.236 -3.872 1.00 2.78 H new ATOM 72 N PRO A 7 -17.777 -10.434 -0.579 1.00 1.00 N ATOM 73 CA PRO A 7 -17.691 -9.063 -0.102 1.00 0.92 C ATOM 74 C PRO A 7 -17.585 -8.058 -1.247 1.00 0.83 C ATOM 75 O PRO A 7 -16.612 -8.061 -2.001 1.00 0.81 O ATOM 76 CB PRO A 7 -16.410 -9.075 0.728 1.00 1.15 C ATOM 77 CG PRO A 7 -15.538 -10.092 0.068 1.00 1.35 C ATOM 78 CD PRO A 7 -16.454 -11.087 -0.604 1.00 1.22 C ATOM 0 HA PRO A 7 -18.577 -8.758 0.455 1.00 0.92 H new ATOM 0 HB2 PRO A 7 -15.936 -8.094 0.738 1.00 1.15 H new ATOM 0 HB3 PRO A 7 -16.613 -9.341 1.765 1.00 1.15 H new ATOM 0 HG2 PRO A 7 -14.879 -9.621 -0.661 1.00 1.35 H new ATOM 0 HG3 PRO A 7 -14.901 -10.588 0.800 1.00 1.35 H new ATOM 0 HD2 PRO A 7 -16.133 -11.298 -1.624 1.00 1.22 H new ATOM 0 HD3 PRO A 7 -16.469 -12.038 -0.071 1.00 1.22 H new ATOM 86 N ASP A 8 -18.578 -7.190 -1.363 1.00 0.81 N ATOM 87 CA ASP A 8 -18.596 -6.193 -2.429 1.00 0.80 C ATOM 88 C ASP A 8 -17.557 -5.117 -2.154 1.00 0.67 C ATOM 89 O ASP A 8 -16.917 -4.603 -3.070 1.00 0.67 O ATOM 90 CB ASP A 8 -19.987 -5.564 -2.556 1.00 0.91 C ATOM 91 CG ASP A 8 -20.050 -4.505 -3.639 1.00 1.50 C ATOM 92 OD1 ASP A 8 -20.123 -4.867 -4.830 1.00 2.18 O ATOM 93 OD2 ASP A 8 -20.007 -3.301 -3.310 1.00 2.05 O ATOM 0 H ASP A 8 -19.381 -7.153 -0.735 1.00 0.81 H new ATOM 0 HA ASP A 8 -18.355 -6.687 -3.370 1.00 0.80 H new ATOM 0 HB2 ASP A 8 -20.716 -6.344 -2.773 1.00 0.91 H new ATOM 0 HB3 ASP A 8 -20.270 -5.120 -1.602 1.00 0.91 H new ATOM 98 N THR A 9 -17.378 -4.805 -0.877 1.00 0.62 N ATOM 99 CA THR A 9 -16.408 -3.813 -0.455 1.00 0.58 C ATOM 100 C THR A 9 -14.983 -4.263 -0.777 1.00 0.49 C ATOM 101 O THR A 9 -14.216 -3.531 -1.406 1.00 0.46 O ATOM 102 CB THR A 9 -16.536 -3.547 1.058 1.00 0.64 C ATOM 103 OG1 THR A 9 -17.865 -3.103 1.361 1.00 0.74 O ATOM 104 CG2 THR A 9 -15.529 -2.508 1.524 1.00 0.72 C ATOM 0 H THR A 9 -17.900 -5.232 -0.111 1.00 0.62 H new ATOM 0 HA THR A 9 -16.614 -2.893 -1.003 1.00 0.58 H new ATOM 0 HB THR A 9 -16.330 -4.479 1.584 1.00 0.64 H new ATOM 0 HG1 THR A 9 -17.943 -2.937 2.324 1.00 0.74 H new ATOM 0 HG21 THR A 9 -15.645 -2.343 2.595 1.00 0.72 H new ATOM 0 HG22 THR A 9 -14.519 -2.863 1.319 1.00 0.72 H new ATOM 0 HG23 THR A 9 -15.700 -1.572 0.992 1.00 0.72 H new ATOM 112 N ALA A 10 -14.644 -5.480 -0.366 1.00 0.51 N ATOM 113 CA ALA A 10 -13.303 -6.007 -0.574 1.00 0.50 C ATOM 114 C ALA A 10 -13.027 -6.234 -2.055 1.00 0.48 C ATOM 115 O ALA A 10 -11.924 -5.980 -2.534 1.00 0.45 O ATOM 116 CB ALA A 10 -13.112 -7.299 0.203 1.00 0.60 C ATOM 0 H ALA A 10 -15.279 -6.118 0.112 1.00 0.51 H new ATOM 0 HA ALA A 10 -12.591 -5.269 -0.206 1.00 0.50 H new ATOM 0 HB1 ALA A 10 -12.104 -7.679 0.036 1.00 0.60 H new ATOM 0 HB2 ALA A 10 -13.256 -7.109 1.267 1.00 0.60 H new ATOM 0 HB3 ALA A 10 -13.839 -8.038 -0.135 1.00 0.60 H new ATOM 122 N ARG A 11 -14.040 -6.696 -2.776 1.00 0.54 N ATOM 123 CA ARG A 11 -13.889 -6.989 -4.195 1.00 0.59 C ATOM 124 C ARG A 11 -13.652 -5.710 -4.992 1.00 0.52 C ATOM 125 O ARG A 11 -12.810 -5.674 -5.891 1.00 0.52 O ATOM 126 CB ARG A 11 -15.124 -7.713 -4.725 1.00 0.74 C ATOM 127 CG ARG A 11 -14.999 -8.157 -6.171 1.00 1.02 C ATOM 128 CD ARG A 11 -16.234 -8.914 -6.618 1.00 1.21 C ATOM 129 NE ARG A 11 -16.486 -10.084 -5.780 1.00 1.97 N ATOM 130 CZ ARG A 11 -17.693 -10.456 -5.362 1.00 2.53 C ATOM 131 NH1 ARG A 11 -18.761 -9.729 -5.669 1.00 2.44 N ATOM 132 NH2 ARG A 11 -17.829 -11.548 -4.622 1.00 3.56 N ATOM 0 H ARG A 11 -14.972 -6.875 -2.403 1.00 0.54 H new ATOM 0 HA ARG A 11 -13.021 -7.637 -4.315 1.00 0.59 H new ATOM 0 HB2 ARG A 11 -15.317 -8.586 -4.102 1.00 0.74 H new ATOM 0 HB3 ARG A 11 -15.988 -7.056 -4.630 1.00 0.74 H new ATOM 0 HG2 ARG A 11 -14.851 -7.287 -6.810 1.00 1.02 H new ATOM 0 HG3 ARG A 11 -14.119 -8.790 -6.286 1.00 1.02 H new ATOM 0 HD2 ARG A 11 -17.098 -8.251 -6.586 1.00 1.21 H new ATOM 0 HD3 ARG A 11 -16.112 -9.229 -7.654 1.00 1.21 H new ATOM 0 HE ARG A 11 -15.687 -10.651 -5.498 1.00 1.97 H new ATOM 0 HH11 ARG A 11 -18.658 -8.882 -6.227 1.00 2.44 H new ATOM 0 HH12 ARG A 11 -19.685 -10.018 -5.346 1.00 2.44 H new ATOM 0 HH21 ARG A 11 -17.009 -12.101 -4.374 1.00 3.56 H new ATOM 0 HH22 ARG A 11 -18.754 -11.834 -4.301 1.00 3.56 H new ATOM 146 N ARG A 12 -14.391 -4.660 -4.653 1.00 0.51 N ATOM 147 CA ARG A 12 -14.257 -3.384 -5.342 1.00 0.51 C ATOM 148 C ARG A 12 -12.893 -2.775 -5.062 1.00 0.42 C ATOM 149 O ARG A 12 -12.276 -2.174 -5.942 1.00 0.41 O ATOM 150 CB ARG A 12 -15.353 -2.415 -4.903 1.00 0.57 C ATOM 151 CG ARG A 12 -15.529 -1.235 -5.847 1.00 1.31 C ATOM 152 CD ARG A 12 -16.524 -0.223 -5.304 1.00 1.38 C ATOM 153 NE ARG A 12 -17.799 -0.839 -4.942 1.00 2.05 N ATOM 154 CZ ARG A 12 -18.903 -0.152 -4.652 1.00 2.50 C ATOM 155 NH1 ARG A 12 -18.912 1.173 -4.744 1.00 2.39 N ATOM 156 NH2 ARG A 12 -19.999 -0.791 -4.271 1.00 3.49 N ATOM 0 H ARG A 12 -15.087 -4.668 -3.907 1.00 0.51 H new ATOM 0 HA ARG A 12 -14.357 -3.564 -6.412 1.00 0.51 H new ATOM 0 HB2 ARG A 12 -16.297 -2.955 -4.828 1.00 0.57 H new ATOM 0 HB3 ARG A 12 -15.120 -2.042 -3.906 1.00 0.57 H new ATOM 0 HG2 ARG A 12 -14.566 -0.749 -6.006 1.00 1.31 H new ATOM 0 HG3 ARG A 12 -15.869 -1.594 -6.818 1.00 1.31 H new ATOM 0 HD2 ARG A 12 -16.099 0.268 -4.429 1.00 1.38 H new ATOM 0 HD3 ARG A 12 -16.696 0.551 -6.052 1.00 1.38 H new ATOM 0 HE ARG A 12 -17.846 -1.857 -4.909 1.00 2.05 H new ATOM 0 HH11 ARG A 12 -18.071 1.670 -5.038 1.00 2.39 H new ATOM 0 HH12 ARG A 12 -19.760 1.694 -4.521 1.00 2.39 H new ATOM 0 HH21 ARG A 12 -19.997 -1.809 -4.200 1.00 3.49 H new ATOM 0 HH22 ARG A 12 -20.845 -0.266 -4.049 1.00 3.49 H new ATOM 170 N PHE A 13 -12.418 -2.941 -3.836 1.00 0.40 N ATOM 171 CA PHE A 13 -11.117 -2.412 -3.452 1.00 0.37 C ATOM 172 C PHE A 13 -10.018 -3.123 -4.233 1.00 0.33 C ATOM 173 O PHE A 13 -9.108 -2.488 -4.758 1.00 0.33 O ATOM 174 CB PHE A 13 -10.890 -2.570 -1.942 1.00 0.41 C ATOM 175 CG PHE A 13 -9.667 -1.853 -1.434 1.00 0.41 C ATOM 176 CD1 PHE A 13 -9.727 -0.514 -1.085 1.00 0.43 C ATOM 177 CD2 PHE A 13 -8.460 -2.521 -1.303 1.00 0.46 C ATOM 178 CE1 PHE A 13 -8.606 0.146 -0.615 1.00 0.48 C ATOM 179 CE2 PHE A 13 -7.336 -1.867 -0.833 1.00 0.51 C ATOM 180 CZ PHE A 13 -7.409 -0.527 -0.500 1.00 0.50 C ATOM 0 H PHE A 13 -12.911 -3.436 -3.093 1.00 0.40 H new ATOM 0 HA PHE A 13 -11.089 -1.348 -3.689 1.00 0.37 H new ATOM 0 HB2 PHE A 13 -11.766 -2.196 -1.411 1.00 0.41 H new ATOM 0 HB3 PHE A 13 -10.803 -3.631 -1.706 1.00 0.41 H new ATOM 0 HD1 PHE A 13 -10.660 0.021 -1.181 1.00 0.43 H new ATOM 0 HD2 PHE A 13 -8.396 -3.565 -1.571 1.00 0.46 H new ATOM 0 HE1 PHE A 13 -8.669 1.188 -0.338 1.00 0.48 H new ATOM 0 HE2 PHE A 13 -6.404 -2.401 -0.726 1.00 0.51 H new ATOM 0 HZ PHE A 13 -6.529 -0.008 -0.150 1.00 0.50 H new ATOM 190 N ASP A 14 -10.136 -4.442 -4.322 1.00 0.35 N ATOM 191 CA ASP A 14 -9.170 -5.275 -5.038 1.00 0.37 C ATOM 192 C ASP A 14 -9.073 -4.898 -6.514 1.00 0.34 C ATOM 193 O ASP A 14 -7.989 -4.910 -7.100 1.00 0.37 O ATOM 194 CB ASP A 14 -9.565 -6.750 -4.906 1.00 0.47 C ATOM 195 CG ASP A 14 -8.888 -7.645 -5.927 1.00 0.58 C ATOM 196 OD1 ASP A 14 -7.772 -8.131 -5.648 1.00 0.87 O ATOM 197 OD2 ASP A 14 -9.448 -7.846 -7.023 1.00 0.65 O ATOM 0 H ASP A 14 -10.903 -4.967 -3.901 1.00 0.35 H new ATOM 0 HA ASP A 14 -8.191 -5.108 -4.590 1.00 0.37 H new ATOM 0 HB2 ASP A 14 -9.314 -7.098 -3.904 1.00 0.47 H new ATOM 0 HB3 ASP A 14 -10.646 -6.841 -5.013 1.00 0.47 H new ATOM 202 N THR A 15 -10.202 -4.555 -7.112 1.00 0.33 N ATOM 203 CA THR A 15 -10.254 -4.322 -8.542 1.00 0.34 C ATOM 204 C THR A 15 -10.026 -2.857 -8.918 1.00 0.33 C ATOM 205 O THR A 15 -9.303 -2.567 -9.870 1.00 0.37 O ATOM 206 CB THR A 15 -11.593 -4.808 -9.121 1.00 0.39 C ATOM 207 OG1 THR A 15 -12.670 -4.435 -8.250 1.00 1.51 O ATOM 208 CG2 THR A 15 -11.583 -6.316 -9.301 1.00 1.34 C ATOM 0 H THR A 15 -11.092 -4.432 -6.629 1.00 0.33 H new ATOM 0 HA THR A 15 -9.435 -4.896 -8.976 1.00 0.34 H new ATOM 0 HB THR A 15 -11.735 -4.339 -10.095 1.00 0.39 H new ATOM 0 HG1 THR A 15 -12.753 -5.096 -7.531 1.00 1.51 H new ATOM 0 HG21 THR A 15 -12.539 -6.640 -9.712 1.00 1.34 H new ATOM 0 HG22 THR A 15 -10.781 -6.596 -9.985 1.00 1.34 H new ATOM 0 HG23 THR A 15 -11.421 -6.797 -8.336 1.00 1.34 H new ATOM 216 N GLU A 16 -10.635 -1.934 -8.184 1.00 0.33 N ATOM 217 CA GLU A 16 -10.564 -0.524 -8.553 1.00 0.39 C ATOM 218 C GLU A 16 -9.471 0.227 -7.790 1.00 0.37 C ATOM 219 O GLU A 16 -8.697 0.978 -8.384 1.00 0.46 O ATOM 220 CB GLU A 16 -11.919 0.149 -8.320 1.00 0.48 C ATOM 221 CG GLU A 16 -11.950 1.611 -8.738 1.00 0.60 C ATOM 222 CD GLU A 16 -11.597 1.805 -10.198 1.00 1.15 C ATOM 223 OE1 GLU A 16 -12.259 1.193 -11.062 1.00 1.27 O ATOM 224 OE2 GLU A 16 -10.644 2.558 -10.493 1.00 1.81 O ATOM 0 H GLU A 16 -11.176 -2.131 -7.342 1.00 0.33 H new ATOM 0 HA GLU A 16 -10.307 -0.482 -9.611 1.00 0.39 H new ATOM 0 HB2 GLU A 16 -12.686 -0.395 -8.872 1.00 0.48 H new ATOM 0 HB3 GLU A 16 -12.175 0.076 -7.263 1.00 0.48 H new ATOM 0 HG2 GLU A 16 -12.944 2.018 -8.551 1.00 0.60 H new ATOM 0 HG3 GLU A 16 -11.252 2.177 -8.121 1.00 0.60 H new ATOM 231 N PHE A 17 -9.391 0.006 -6.486 1.00 0.31 N ATOM 232 CA PHE A 17 -8.540 0.830 -5.629 1.00 0.32 C ATOM 233 C PHE A 17 -7.107 0.310 -5.571 1.00 0.30 C ATOM 234 O PHE A 17 -6.163 1.058 -5.818 1.00 0.33 O ATOM 235 CB PHE A 17 -9.114 0.912 -4.210 1.00 0.37 C ATOM 236 CG PHE A 17 -10.431 1.639 -4.111 1.00 0.42 C ATOM 237 CD1 PHE A 17 -11.601 1.068 -4.596 1.00 0.43 C ATOM 238 CD2 PHE A 17 -10.501 2.893 -3.524 1.00 0.64 C ATOM 239 CE1 PHE A 17 -12.808 1.733 -4.498 1.00 0.48 C ATOM 240 CE2 PHE A 17 -11.706 3.562 -3.422 1.00 0.72 C ATOM 241 CZ PHE A 17 -12.861 2.981 -3.909 1.00 0.57 C ATOM 0 H PHE A 17 -9.900 -0.731 -5.997 1.00 0.31 H new ATOM 0 HA PHE A 17 -8.520 1.826 -6.071 1.00 0.32 H new ATOM 0 HB2 PHE A 17 -9.241 -0.099 -3.824 1.00 0.37 H new ATOM 0 HB3 PHE A 17 -8.389 1.410 -3.566 1.00 0.37 H new ATOM 0 HD1 PHE A 17 -11.567 0.091 -5.056 1.00 0.43 H new ATOM 0 HD2 PHE A 17 -9.602 3.353 -3.141 1.00 0.64 H new ATOM 0 HE1 PHE A 17 -13.709 1.277 -4.882 1.00 0.48 H new ATOM 0 HE2 PHE A 17 -11.745 4.538 -2.962 1.00 0.72 H new ATOM 0 HZ PHE A 17 -13.804 3.502 -3.829 1.00 0.57 H new ATOM 251 N ALA A 18 -6.950 -0.968 -5.252 1.00 0.29 N ATOM 252 CA ALA A 18 -5.629 -1.558 -5.058 1.00 0.30 C ATOM 253 C ALA A 18 -4.719 -1.396 -6.283 1.00 0.29 C ATOM 254 O ALA A 18 -3.562 -1.013 -6.125 1.00 0.30 O ATOM 255 CB ALA A 18 -5.747 -3.020 -4.652 1.00 0.32 C ATOM 0 H ALA A 18 -7.724 -1.620 -5.121 1.00 0.29 H new ATOM 0 HA ALA A 18 -5.153 -1.007 -4.247 1.00 0.30 H new ATOM 0 HB1 ALA A 18 -4.751 -3.440 -4.513 1.00 0.32 H new ATOM 0 HB2 ALA A 18 -6.306 -3.095 -3.719 1.00 0.32 H new ATOM 0 HB3 ALA A 18 -6.268 -3.574 -5.433 1.00 0.32 H new ATOM 261 N PRO A 19 -5.199 -1.673 -7.520 1.00 0.30 N ATOM 262 CA PRO A 19 -4.397 -1.452 -8.731 1.00 0.32 C ATOM 263 C PRO A 19 -4.029 0.015 -8.911 1.00 0.31 C ATOM 264 O PRO A 19 -2.969 0.343 -9.447 1.00 0.32 O ATOM 265 CB PRO A 19 -5.315 -1.906 -9.871 1.00 0.37 C ATOM 266 CG PRO A 19 -6.290 -2.815 -9.221 1.00 0.35 C ATOM 267 CD PRO A 19 -6.516 -2.244 -7.854 1.00 0.31 C ATOM 0 HA PRO A 19 -3.451 -1.993 -8.691 1.00 0.32 H new ATOM 0 HB2 PRO A 19 -5.814 -1.058 -10.341 1.00 0.37 H new ATOM 0 HB3 PRO A 19 -4.754 -2.418 -10.653 1.00 0.37 H new ATOM 0 HG2 PRO A 19 -7.221 -2.862 -9.786 1.00 0.35 H new ATOM 0 HG3 PRO A 19 -5.901 -3.832 -9.163 1.00 0.35 H new ATOM 0 HD2 PRO A 19 -7.298 -1.485 -7.857 1.00 0.31 H new ATOM 0 HD3 PRO A 19 -6.818 -3.010 -7.140 1.00 0.31 H new ATOM 275 N ARG A 20 -4.910 0.895 -8.450 1.00 0.32 N ATOM 276 CA ARG A 20 -4.680 2.325 -8.553 1.00 0.35 C ATOM 277 C ARG A 20 -3.567 2.729 -7.596 1.00 0.30 C ATOM 278 O ARG A 20 -2.692 3.523 -7.942 1.00 0.31 O ATOM 279 CB ARG A 20 -5.959 3.101 -8.229 1.00 0.43 C ATOM 280 CG ARG A 20 -5.921 4.558 -8.661 1.00 1.07 C ATOM 281 CD ARG A 20 -6.032 4.690 -10.171 1.00 1.40 C ATOM 282 NE ARG A 20 -7.300 4.157 -10.669 1.00 1.95 N ATOM 283 CZ ARG A 20 -7.578 3.963 -11.956 1.00 2.73 C ATOM 284 NH1 ARG A 20 -6.675 4.246 -12.888 1.00 3.15 N ATOM 285 NH2 ARG A 20 -8.763 3.478 -12.309 1.00 3.58 N ATOM 0 H ARG A 20 -5.790 0.640 -8.001 1.00 0.32 H new ATOM 0 HA ARG A 20 -4.385 2.563 -9.575 1.00 0.35 H new ATOM 0 HB2 ARG A 20 -6.803 2.610 -8.714 1.00 0.43 H new ATOM 0 HB3 ARG A 20 -6.138 3.055 -7.155 1.00 0.43 H new ATOM 0 HG2 ARG A 20 -6.737 5.102 -8.185 1.00 1.07 H new ATOM 0 HG3 ARG A 20 -4.992 5.016 -8.321 1.00 1.07 H new ATOM 0 HD2 ARG A 20 -5.943 5.739 -10.452 1.00 1.40 H new ATOM 0 HD3 ARG A 20 -5.204 4.162 -10.644 1.00 1.40 H new ATOM 0 HE ARG A 20 -8.018 3.918 -9.985 1.00 1.95 H new ATOM 0 HH11 ARG A 20 -5.763 4.614 -12.619 1.00 3.15 H new ATOM 0 HH12 ARG A 20 -6.894 4.095 -13.873 1.00 3.15 H new ATOM 0 HH21 ARG A 20 -9.456 3.256 -11.595 1.00 3.58 H new ATOM 0 HH22 ARG A 20 -8.980 3.328 -13.294 1.00 3.58 H new ATOM 299 N ILE A 21 -3.600 2.148 -6.400 1.00 0.28 N ATOM 300 CA ILE A 21 -2.585 2.400 -5.386 1.00 0.28 C ATOM 301 C ILE A 21 -1.238 1.849 -5.838 1.00 0.24 C ATOM 302 O ILE A 21 -0.223 2.537 -5.776 1.00 0.25 O ATOM 303 CB ILE A 21 -2.955 1.748 -4.032 1.00 0.31 C ATOM 304 CG1 ILE A 21 -4.327 2.238 -3.551 1.00 0.35 C ATOM 305 CG2 ILE A 21 -1.889 2.053 -2.984 1.00 0.33 C ATOM 306 CD1 ILE A 21 -4.837 1.521 -2.315 1.00 0.38 C ATOM 0 H ILE A 21 -4.327 1.494 -6.109 1.00 0.28 H new ATOM 0 HA ILE A 21 -2.526 3.480 -5.253 1.00 0.28 H new ATOM 0 HB ILE A 21 -3.005 0.669 -4.176 1.00 0.31 H new ATOM 0 HG12 ILE A 21 -4.267 3.306 -3.341 1.00 0.35 H new ATOM 0 HG13 ILE A 21 -5.050 2.112 -4.357 1.00 0.35 H new ATOM 0 HG21 ILE A 21 -2.165 1.587 -2.038 1.00 0.33 H new ATOM 0 HG22 ILE A 21 -0.929 1.659 -3.316 1.00 0.33 H new ATOM 0 HG23 ILE A 21 -1.811 3.132 -2.848 1.00 0.33 H new ATOM 0 HD11 ILE A 21 -5.811 1.923 -2.037 1.00 0.38 H new ATOM 0 HD12 ILE A 21 -4.931 0.456 -2.525 1.00 0.38 H new ATOM 0 HD13 ILE A 21 -4.136 1.668 -1.494 1.00 0.38 H new ATOM 318 N ALA A 22 -1.247 0.609 -6.313 1.00 0.23 N ATOM 319 CA ALA A 22 -0.028 -0.073 -6.726 1.00 0.23 C ATOM 320 C ALA A 22 0.678 0.674 -7.848 1.00 0.24 C ATOM 321 O ALA A 22 1.901 0.826 -7.830 1.00 0.28 O ATOM 322 CB ALA A 22 -0.345 -1.497 -7.156 1.00 0.25 C ATOM 0 H ALA A 22 -2.094 0.052 -6.422 1.00 0.23 H new ATOM 0 HA ALA A 22 0.647 -0.100 -5.871 1.00 0.23 H new ATOM 0 HB1 ALA A 22 0.573 -1.997 -7.463 1.00 0.25 H new ATOM 0 HB2 ALA A 22 -0.792 -2.038 -6.322 1.00 0.25 H new ATOM 0 HB3 ALA A 22 -1.044 -1.478 -7.992 1.00 0.25 H new ATOM 328 N ARG A 23 -0.098 1.146 -8.813 1.00 0.27 N ATOM 329 CA ARG A 23 0.453 1.872 -9.947 1.00 0.34 C ATOM 330 C ARG A 23 0.953 3.246 -9.511 1.00 0.30 C ATOM 331 O ARG A 23 1.956 3.742 -10.025 1.00 0.31 O ATOM 332 CB ARG A 23 -0.602 2.019 -11.048 1.00 0.47 C ATOM 333 CG ARG A 23 -0.035 2.492 -12.376 1.00 1.16 C ATOM 334 CD ARG A 23 -1.127 2.671 -13.419 1.00 1.33 C ATOM 335 NE ARG A 23 -1.955 3.847 -13.154 1.00 1.85 N ATOM 336 CZ ARG A 23 -3.023 4.186 -13.872 1.00 2.38 C ATOM 337 NH1 ARG A 23 -3.465 3.388 -14.839 1.00 2.41 N ATOM 338 NH2 ARG A 23 -3.658 5.321 -13.612 1.00 3.36 N ATOM 0 H ARG A 23 -1.112 1.039 -8.833 1.00 0.27 H new ATOM 0 HA ARG A 23 1.296 1.305 -10.342 1.00 0.34 H new ATOM 0 HB2 ARG A 23 -1.097 1.059 -11.195 1.00 0.47 H new ATOM 0 HB3 ARG A 23 -1.365 2.724 -10.717 1.00 0.47 H new ATOM 0 HG2 ARG A 23 0.490 3.436 -12.232 1.00 1.16 H new ATOM 0 HG3 ARG A 23 0.699 1.771 -12.737 1.00 1.16 H new ATOM 0 HD2 ARG A 23 -0.673 2.763 -14.406 1.00 1.33 H new ATOM 0 HD3 ARG A 23 -1.757 1.782 -13.439 1.00 1.33 H new ATOM 0 HE ARG A 23 -1.698 4.445 -12.369 1.00 1.85 H new ATOM 0 HH11 ARG A 23 -2.985 2.510 -15.035 1.00 2.41 H new ATOM 0 HH12 ARG A 23 -4.284 3.654 -15.385 1.00 2.41 H new ATOM 0 HH21 ARG A 23 -3.327 5.931 -12.864 1.00 3.36 H new ATOM 0 HH22 ARG A 23 -4.477 5.584 -14.160 1.00 3.36 H new ATOM 352 N ALA A 24 0.255 3.847 -8.551 1.00 0.29 N ATOM 353 CA ALA A 24 0.636 5.155 -8.029 1.00 0.31 C ATOM 354 C ALA A 24 1.959 5.070 -7.279 1.00 0.29 C ATOM 355 O ALA A 24 2.837 5.914 -7.453 1.00 0.31 O ATOM 356 CB ALA A 24 -0.451 5.702 -7.117 1.00 0.35 C ATOM 0 H ALA A 24 -0.578 3.448 -8.119 1.00 0.29 H new ATOM 0 HA ALA A 24 0.759 5.835 -8.872 1.00 0.31 H new ATOM 0 HB1 ALA A 24 -0.150 6.678 -6.737 1.00 0.35 H new ATOM 0 HB2 ALA A 24 -1.380 5.802 -7.678 1.00 0.35 H new ATOM 0 HB3 ALA A 24 -0.603 5.018 -6.282 1.00 0.35 H new ATOM 362 N ILE A 25 2.085 4.046 -6.445 1.00 0.27 N ATOM 363 CA ILE A 25 3.312 3.799 -5.699 1.00 0.30 C ATOM 364 C ILE A 25 4.470 3.509 -6.649 1.00 0.30 C ATOM 365 O ILE A 25 5.562 4.058 -6.500 1.00 0.33 O ATOM 366 CB ILE A 25 3.147 2.617 -4.717 1.00 0.33 C ATOM 367 CG1 ILE A 25 2.059 2.928 -3.684 1.00 0.36 C ATOM 368 CG2 ILE A 25 4.467 2.310 -4.022 1.00 0.39 C ATOM 369 CD1 ILE A 25 1.807 1.797 -2.709 1.00 1.05 C ATOM 0 H ILE A 25 1.345 3.367 -6.267 1.00 0.27 H new ATOM 0 HA ILE A 25 3.530 4.700 -5.126 1.00 0.30 H new ATOM 0 HB ILE A 25 2.845 1.737 -5.285 1.00 0.33 H new ATOM 0 HG12 ILE A 25 2.344 3.820 -3.127 1.00 0.36 H new ATOM 0 HG13 ILE A 25 1.131 3.161 -4.205 1.00 0.36 H new ATOM 0 HG21 ILE A 25 4.331 1.475 -3.335 1.00 0.39 H new ATOM 0 HG22 ILE A 25 5.218 2.048 -4.767 1.00 0.39 H new ATOM 0 HG23 ILE A 25 4.798 3.187 -3.466 1.00 0.39 H new ATOM 0 HD11 ILE A 25 1.025 2.088 -2.008 1.00 1.05 H new ATOM 0 HD12 ILE A 25 1.491 0.909 -3.256 1.00 1.05 H new ATOM 0 HD13 ILE A 25 2.723 1.579 -2.160 1.00 1.05 H new ATOM 381 N ALA A 26 4.217 2.657 -7.638 1.00 0.31 N ATOM 382 CA ALA A 26 5.226 2.307 -8.628 1.00 0.36 C ATOM 383 C ALA A 26 5.703 3.550 -9.369 1.00 0.38 C ATOM 384 O ALA A 26 6.890 3.703 -9.657 1.00 0.40 O ATOM 385 CB ALA A 26 4.670 1.284 -9.607 1.00 0.42 C ATOM 0 H ALA A 26 3.318 2.195 -7.774 1.00 0.31 H new ATOM 0 HA ALA A 26 6.080 1.867 -8.112 1.00 0.36 H new ATOM 0 HB1 ALA A 26 5.434 1.031 -10.342 1.00 0.42 H new ATOM 0 HB2 ALA A 26 4.375 0.385 -9.066 1.00 0.42 H new ATOM 0 HB3 ALA A 26 3.802 1.702 -10.116 1.00 0.42 H new ATOM 391 N ASP A 27 4.766 4.440 -9.650 1.00 0.40 N ATOM 392 CA ASP A 27 5.059 5.690 -10.335 1.00 0.47 C ATOM 393 C ASP A 27 5.859 6.625 -9.438 1.00 0.45 C ATOM 394 O ASP A 27 6.815 7.262 -9.879 1.00 0.48 O ATOM 395 CB ASP A 27 3.751 6.364 -10.759 1.00 0.56 C ATOM 396 CG ASP A 27 3.968 7.706 -11.422 1.00 0.72 C ATOM 397 OD1 ASP A 27 4.193 7.737 -12.651 1.00 0.86 O ATOM 398 OD2 ASP A 27 3.905 8.734 -10.719 1.00 0.80 O ATOM 0 H ASP A 27 3.782 4.318 -9.411 1.00 0.40 H new ATOM 0 HA ASP A 27 5.658 5.470 -11.219 1.00 0.47 H new ATOM 0 HB2 ASP A 27 3.216 5.708 -11.445 1.00 0.56 H new ATOM 0 HB3 ASP A 27 3.116 6.496 -9.883 1.00 0.56 H new ATOM 403 N LEU A 28 5.476 6.675 -8.171 1.00 0.42 N ATOM 404 CA LEU A 28 6.103 7.567 -7.206 1.00 0.46 C ATOM 405 C LEU A 28 7.540 7.136 -6.930 1.00 0.44 C ATOM 406 O LEU A 28 8.431 7.968 -6.755 1.00 0.49 O ATOM 407 CB LEU A 28 5.295 7.575 -5.901 1.00 0.49 C ATOM 408 CG LEU A 28 5.812 8.502 -4.800 1.00 0.90 C ATOM 409 CD1 LEU A 28 5.732 9.958 -5.237 1.00 1.69 C ATOM 410 CD2 LEU A 28 5.023 8.286 -3.517 1.00 1.44 C ATOM 0 H LEU A 28 4.726 6.102 -7.784 1.00 0.42 H new ATOM 0 HA LEU A 28 6.120 8.574 -7.623 1.00 0.46 H new ATOM 0 HB2 LEU A 28 4.268 7.857 -6.134 1.00 0.49 H new ATOM 0 HB3 LEU A 28 5.265 6.558 -5.509 1.00 0.49 H new ATOM 0 HG LEU A 28 6.858 8.262 -4.611 1.00 0.90 H new ATOM 0 HD11 LEU A 28 6.105 10.599 -4.438 1.00 1.69 H new ATOM 0 HD12 LEU A 28 6.338 10.103 -6.131 1.00 1.69 H new ATOM 0 HD13 LEU A 28 4.696 10.216 -5.455 1.00 1.69 H new ATOM 0 HD21 LEU A 28 5.401 8.952 -2.741 1.00 1.44 H new ATOM 0 HD22 LEU A 28 3.970 8.500 -3.697 1.00 1.44 H new ATOM 0 HD23 LEU A 28 5.133 7.251 -3.192 1.00 1.44 H new ATOM 422 N LEU A 29 7.758 5.830 -6.898 1.00 0.40 N ATOM 423 CA LEU A 29 9.085 5.284 -6.652 1.00 0.41 C ATOM 424 C LEU A 29 9.877 5.154 -7.951 1.00 0.44 C ATOM 425 O LEU A 29 10.957 4.563 -7.968 1.00 0.48 O ATOM 426 CB LEU A 29 8.982 3.918 -5.966 1.00 0.38 C ATOM 427 CG LEU A 29 8.228 3.908 -4.635 1.00 0.39 C ATOM 428 CD1 LEU A 29 8.191 2.504 -4.054 1.00 0.41 C ATOM 429 CD2 LEU A 29 8.859 4.878 -3.645 1.00 0.49 C ATOM 0 H LEU A 29 7.032 5.127 -7.039 1.00 0.40 H new ATOM 0 HA LEU A 29 9.613 5.975 -5.995 1.00 0.41 H new ATOM 0 HB2 LEU A 29 8.491 3.224 -6.648 1.00 0.38 H new ATOM 0 HB3 LEU A 29 9.990 3.539 -5.796 1.00 0.38 H new ATOM 0 HG LEU A 29 7.205 4.233 -4.823 1.00 0.39 H new ATOM 0 HD11 LEU A 29 7.651 2.516 -3.107 1.00 0.41 H new ATOM 0 HD12 LEU A 29 7.687 1.835 -4.751 1.00 0.41 H new ATOM 0 HD13 LEU A 29 9.209 2.153 -3.886 1.00 0.41 H new ATOM 0 HD21 LEU A 29 8.305 4.852 -2.707 1.00 0.49 H new ATOM 0 HD22 LEU A 29 9.894 4.590 -3.463 1.00 0.49 H new ATOM 0 HD23 LEU A 29 8.830 5.887 -4.056 1.00 0.49 H new ATOM 441 N ASN A 30 9.324 5.704 -9.034 1.00 0.45 N ATOM 442 CA ASN A 30 9.975 5.702 -10.350 1.00 0.51 C ATOM 443 C ASN A 30 10.328 4.282 -10.792 1.00 0.49 C ATOM 444 O ASN A 30 11.357 4.058 -11.429 1.00 0.55 O ATOM 445 CB ASN A 30 11.236 6.582 -10.350 1.00 0.60 C ATOM 446 CG ASN A 30 10.932 8.054 -10.115 1.00 0.79 C ATOM 447 OD1 ASN A 30 10.650 8.797 -11.056 1.00 1.36 O ATOM 448 ND2 ASN A 30 11.009 8.494 -8.866 1.00 1.44 N ATOM 0 H ASN A 30 8.413 6.163 -9.026 1.00 0.45 H new ATOM 0 HA ASN A 30 9.263 6.119 -11.062 1.00 0.51 H new ATOM 0 HB2 ASN A 30 11.919 6.229 -9.577 1.00 0.60 H new ATOM 0 HB3 ASN A 30 11.750 6.471 -11.304 1.00 0.60 H new ATOM 0 HD21 ASN A 30 10.832 9.477 -8.660 1.00 1.44 H new ATOM 0 HD22 ASN A 30 11.245 7.849 -8.112 1.00 1.44 H new ATOM 455 N HIS A 31 9.464 3.333 -10.433 1.00 0.46 N ATOM 456 CA HIS A 31 9.630 1.919 -10.789 1.00 0.50 C ATOM 457 C HIS A 31 10.955 1.339 -10.289 1.00 0.55 C ATOM 458 O HIS A 31 11.479 0.386 -10.867 1.00 0.67 O ATOM 459 CB HIS A 31 9.505 1.706 -12.302 1.00 0.60 C ATOM 460 CG HIS A 31 8.124 1.945 -12.829 1.00 0.67 C ATOM 461 ND1 HIS A 31 7.100 1.032 -12.699 1.00 1.25 N ATOM 462 CD2 HIS A 31 7.598 3.006 -13.483 1.00 1.11 C ATOM 463 CE1 HIS A 31 6.006 1.521 -13.250 1.00 1.16 C ATOM 464 NE2 HIS A 31 6.281 2.718 -13.732 1.00 0.94 N ATOM 0 H HIS A 31 8.625 3.521 -9.885 1.00 0.46 H new ATOM 0 HA HIS A 31 8.824 1.384 -10.287 1.00 0.50 H new ATOM 0 HB2 HIS A 31 10.200 2.372 -12.813 1.00 0.60 H new ATOM 0 HB3 HIS A 31 9.805 0.686 -12.543 1.00 0.60 H new ATOM 0 HD2 HIS A 31 8.119 3.911 -13.758 1.00 1.11 H new ATOM 0 HE1 HIS A 31 5.048 1.026 -13.298 1.00 1.16 H new ATOM 0 HE2 HIS A 31 5.621 3.330 -14.212 1.00 0.94 H new ATOM 473 N ARG A 32 11.496 1.910 -9.219 1.00 0.53 N ATOM 474 CA ARG A 32 12.687 1.352 -8.581 1.00 0.61 C ATOM 475 C ARG A 32 12.302 0.143 -7.742 1.00 0.56 C ATOM 476 O ARG A 32 13.137 -0.701 -7.413 1.00 0.66 O ATOM 477 CB ARG A 32 13.375 2.400 -7.701 1.00 0.71 C ATOM 478 CG ARG A 32 14.119 3.472 -8.478 1.00 0.81 C ATOM 479 CD ARG A 32 15.411 2.940 -9.075 1.00 1.64 C ATOM 480 NE ARG A 32 16.193 4.004 -9.700 1.00 2.26 N ATOM 481 CZ ARG A 32 17.510 4.152 -9.564 1.00 3.24 C ATOM 482 NH1 ARG A 32 18.219 3.280 -8.853 1.00 3.73 N ATOM 483 NH2 ARG A 32 18.118 5.177 -10.146 1.00 4.08 N ATOM 0 H ARG A 32 11.133 2.754 -8.776 1.00 0.53 H new ATOM 0 HA ARG A 32 13.386 1.046 -9.360 1.00 0.61 H new ATOM 0 HB2 ARG A 32 12.625 2.878 -7.071 1.00 0.71 H new ATOM 0 HB3 ARG A 32 14.076 1.896 -7.036 1.00 0.71 H new ATOM 0 HG2 ARG A 32 13.480 3.853 -9.275 1.00 0.81 H new ATOM 0 HG3 ARG A 32 14.341 4.311 -7.819 1.00 0.81 H new ATOM 0 HD2 ARG A 32 16.004 2.463 -8.295 1.00 1.64 H new ATOM 0 HD3 ARG A 32 15.182 2.173 -9.815 1.00 1.64 H new ATOM 0 HE ARG A 32 15.697 4.680 -10.280 1.00 2.26 H new ATOM 0 HH11 ARG A 32 17.755 2.489 -8.406 1.00 3.73 H new ATOM 0 HH12 ARG A 32 19.227 3.402 -8.755 1.00 3.73 H new ATOM 0 HH21 ARG A 32 17.578 5.846 -10.694 1.00 4.08 H new ATOM 0 HH22 ARG A 32 19.126 5.296 -10.046 1.00 4.08 H new ATOM 497 N ALA A 33 11.028 0.080 -7.397 1.00 0.48 N ATOM 498 CA ALA A 33 10.480 -1.036 -6.654 1.00 0.45 C ATOM 499 C ALA A 33 9.261 -1.584 -7.381 1.00 0.43 C ATOM 500 O ALA A 33 8.594 -0.858 -8.121 1.00 0.49 O ATOM 501 CB ALA A 33 10.118 -0.603 -5.242 1.00 0.49 C ATOM 0 H ALA A 33 10.345 0.803 -7.625 1.00 0.48 H new ATOM 0 HA ALA A 33 11.230 -1.824 -6.583 1.00 0.45 H new ATOM 0 HB1 ALA A 33 9.707 -1.452 -4.695 1.00 0.49 H new ATOM 0 HB2 ALA A 33 11.011 -0.241 -4.732 1.00 0.49 H new ATOM 0 HB3 ALA A 33 9.376 0.194 -5.285 1.00 0.49 H new ATOM 507 N HIS A 34 8.983 -2.858 -7.177 1.00 0.39 N ATOM 508 CA HIS A 34 7.859 -3.512 -7.824 1.00 0.41 C ATOM 509 C HIS A 34 6.754 -3.754 -6.812 1.00 0.36 C ATOM 510 O HIS A 34 7.006 -4.237 -5.713 1.00 0.34 O ATOM 511 CB HIS A 34 8.308 -4.839 -8.461 1.00 0.48 C ATOM 512 CG HIS A 34 7.177 -5.669 -8.996 1.00 0.59 C ATOM 513 ND1 HIS A 34 6.668 -5.524 -10.266 1.00 0.79 N ATOM 514 CD2 HIS A 34 6.447 -6.647 -8.411 1.00 0.63 C ATOM 515 CE1 HIS A 34 5.671 -6.372 -10.437 1.00 0.89 C ATOM 516 NE2 HIS A 34 5.515 -7.067 -9.325 1.00 0.80 N ATOM 0 H HIS A 34 9.525 -3.466 -6.563 1.00 0.39 H new ATOM 0 HA HIS A 34 7.477 -2.865 -8.614 1.00 0.41 H new ATOM 0 HB2 HIS A 34 9.004 -4.624 -9.272 1.00 0.48 H new ATOM 0 HB3 HIS A 34 8.854 -5.421 -7.718 1.00 0.48 H new ATOM 0 HD2 HIS A 34 6.575 -7.027 -7.408 1.00 0.63 H new ATOM 0 HE1 HIS A 34 5.082 -6.479 -11.336 1.00 0.89 H new ATOM 0 HE2 HIS A 34 4.817 -7.795 -9.171 1.00 0.80 H new ATOM 525 N THR A 35 5.534 -3.429 -7.184 1.00 0.38 N ATOM 526 CA THR A 35 4.406 -3.611 -6.295 1.00 0.36 C ATOM 527 C THR A 35 3.494 -4.719 -6.809 1.00 0.39 C ATOM 528 O THR A 35 3.416 -4.959 -8.015 1.00 0.45 O ATOM 529 CB THR A 35 3.609 -2.303 -6.142 1.00 0.41 C ATOM 530 OG1 THR A 35 3.247 -1.789 -7.433 1.00 0.49 O ATOM 531 CG2 THR A 35 4.431 -1.265 -5.395 1.00 0.41 C ATOM 0 H THR A 35 5.298 -3.037 -8.096 1.00 0.38 H new ATOM 0 HA THR A 35 4.793 -3.896 -5.317 1.00 0.36 H new ATOM 0 HB THR A 35 2.704 -2.517 -5.573 1.00 0.41 H new ATOM 0 HG1 THR A 35 2.829 -0.909 -7.329 1.00 0.49 H new ATOM 0 HG21 THR A 35 3.853 -0.346 -5.295 1.00 0.41 H new ATOM 0 HG22 THR A 35 4.683 -1.644 -4.405 1.00 0.41 H new ATOM 0 HG23 THR A 35 5.347 -1.059 -5.949 1.00 0.41 H new ATOM 539 N ASP A 36 2.831 -5.407 -5.897 1.00 0.38 N ATOM 540 CA ASP A 36 1.917 -6.480 -6.267 1.00 0.44 C ATOM 541 C ASP A 36 0.606 -6.324 -5.532 1.00 0.39 C ATOM 542 O ASP A 36 0.588 -6.088 -4.321 1.00 0.47 O ATOM 543 CB ASP A 36 2.501 -7.866 -5.956 1.00 0.56 C ATOM 544 CG ASP A 36 3.670 -8.243 -6.842 1.00 0.92 C ATOM 545 OD1 ASP A 36 3.487 -8.299 -8.074 1.00 1.07 O ATOM 546 OD2 ASP A 36 4.783 -8.460 -6.315 1.00 1.56 O ATOM 0 H ASP A 36 2.906 -5.244 -4.893 1.00 0.38 H new ATOM 0 HA ASP A 36 1.757 -6.408 -7.343 1.00 0.44 H new ATOM 0 HB2 ASP A 36 2.822 -7.891 -4.915 1.00 0.56 H new ATOM 0 HB3 ASP A 36 1.716 -8.615 -6.065 1.00 0.56 H new ATOM 551 N VAL A 37 -0.486 -6.443 -6.262 1.00 0.37 N ATOM 552 CA VAL A 37 -1.803 -6.399 -5.662 1.00 0.37 C ATOM 553 C VAL A 37 -2.192 -7.784 -5.169 1.00 0.36 C ATOM 554 O VAL A 37 -2.543 -8.666 -5.956 1.00 0.48 O ATOM 555 CB VAL A 37 -2.868 -5.877 -6.648 1.00 0.44 C ATOM 556 CG1 VAL A 37 -4.251 -5.899 -6.009 1.00 0.50 C ATOM 557 CG2 VAL A 37 -2.523 -4.470 -7.116 1.00 0.54 C ATOM 0 H VAL A 37 -0.486 -6.571 -7.274 1.00 0.37 H new ATOM 0 HA VAL A 37 -1.761 -5.705 -4.822 1.00 0.37 H new ATOM 0 HB VAL A 37 -2.879 -6.537 -7.516 1.00 0.44 H new ATOM 0 HG11 VAL A 37 -4.987 -5.527 -6.722 1.00 0.50 H new ATOM 0 HG12 VAL A 37 -4.505 -6.920 -5.725 1.00 0.50 H new ATOM 0 HG13 VAL A 37 -4.252 -5.265 -5.122 1.00 0.50 H new ATOM 0 HG21 VAL A 37 -3.287 -4.120 -7.811 1.00 0.54 H new ATOM 0 HG22 VAL A 37 -2.480 -3.801 -6.257 1.00 0.54 H new ATOM 0 HG23 VAL A 37 -1.555 -4.480 -7.616 1.00 0.54 H new ATOM 567 N VAL A 38 -2.069 -7.980 -3.869 1.00 0.34 N ATOM 568 CA VAL A 38 -2.493 -9.215 -3.240 1.00 0.36 C ATOM 569 C VAL A 38 -4.015 -9.274 -3.218 1.00 0.42 C ATOM 570 O VAL A 38 -4.664 -8.487 -2.527 1.00 0.46 O ATOM 571 CB VAL A 38 -1.943 -9.336 -1.805 1.00 0.39 C ATOM 572 CG1 VAL A 38 -2.366 -10.647 -1.172 1.00 0.45 C ATOM 573 CG2 VAL A 38 -0.426 -9.204 -1.796 1.00 0.46 C ATOM 0 H VAL A 38 -1.676 -7.294 -3.225 1.00 0.34 H new ATOM 0 HA VAL A 38 -2.096 -10.048 -3.820 1.00 0.36 H new ATOM 0 HB VAL A 38 -2.363 -8.522 -1.214 1.00 0.39 H new ATOM 0 HG11 VAL A 38 -1.965 -10.708 -0.160 1.00 0.45 H new ATOM 0 HG12 VAL A 38 -3.454 -10.699 -1.135 1.00 0.45 H new ATOM 0 HG13 VAL A 38 -1.983 -11.478 -1.765 1.00 0.45 H new ATOM 0 HG21 VAL A 38 -0.059 -9.292 -0.773 1.00 0.46 H new ATOM 0 HG22 VAL A 38 0.011 -9.993 -2.408 1.00 0.46 H new ATOM 0 HG23 VAL A 38 -0.143 -8.232 -2.200 1.00 0.46 H new ATOM 583 N GLY A 39 -4.569 -10.193 -3.997 1.00 0.58 N ATOM 584 CA GLY A 39 -6.005 -10.271 -4.151 1.00 0.74 C ATOM 585 C GLY A 39 -6.694 -10.878 -2.950 1.00 0.69 C ATOM 586 O GLY A 39 -6.042 -11.418 -2.051 1.00 0.84 O ATOM 0 H GLY A 39 -4.045 -10.889 -4.527 1.00 0.58 H new ATOM 0 HA2 GLY A 39 -6.402 -9.270 -4.324 1.00 0.74 H new ATOM 0 HA3 GLY A 39 -6.239 -10.864 -5.035 1.00 0.74 H new ATOM 590 N TYR A 40 -8.016 -10.808 -2.944 1.00 0.73 N ATOM 591 CA TYR A 40 -8.800 -11.313 -1.830 1.00 0.82 C ATOM 592 C TYR A 40 -9.079 -12.800 -2.005 1.00 1.19 C ATOM 593 O TYR A 40 -9.792 -13.207 -2.924 1.00 1.44 O ATOM 594 CB TYR A 40 -10.122 -10.544 -1.711 1.00 0.91 C ATOM 595 CG TYR A 40 -10.972 -10.982 -0.535 1.00 1.21 C ATOM 596 CD1 TYR A 40 -10.651 -10.602 0.764 1.00 1.29 C ATOM 597 CD2 TYR A 40 -12.102 -11.768 -0.728 1.00 1.66 C ATOM 598 CE1 TYR A 40 -11.433 -10.993 1.836 1.00 1.73 C ATOM 599 CE2 TYR A 40 -12.887 -12.162 0.339 1.00 2.08 C ATOM 600 CZ TYR A 40 -12.514 -11.799 1.632 1.00 2.09 C ATOM 601 OH TYR A 40 -13.334 -12.162 2.681 1.00 2.57 O ATOM 0 H TYR A 40 -8.569 -10.405 -3.701 1.00 0.73 H new ATOM 0 HA TYR A 40 -8.225 -11.168 -0.915 1.00 0.82 H new ATOM 0 HB2 TYR A 40 -9.907 -9.480 -1.617 1.00 0.91 H new ATOM 0 HB3 TYR A 40 -10.693 -10.674 -2.630 1.00 0.91 H new ATOM 0 HD1 TYR A 40 -9.777 -9.992 0.938 1.00 1.29 H new ATOM 0 HD2 TYR A 40 -12.371 -12.076 -1.728 1.00 1.66 H new ATOM 0 HE1 TYR A 40 -11.188 -10.660 2.834 1.00 1.73 H new ATOM 0 HE2 TYR A 40 -13.781 -12.745 0.173 1.00 2.08 H new ATOM 0 HH TYR A 40 -14.054 -12.738 2.349 1.00 2.57 H new ATOM 611 N GLY A 41 -8.515 -13.602 -1.120 1.00 1.45 N ATOM 612 CA GLY A 41 -8.754 -15.029 -1.159 1.00 1.91 C ATOM 613 C GLY A 41 -9.905 -15.424 -0.263 1.00 2.10 C ATOM 614 O GLY A 41 -10.600 -16.406 -0.522 1.00 2.74 O ATOM 0 H GLY A 41 -7.894 -13.291 -0.373 1.00 1.45 H new ATOM 0 HA2 GLY A 41 -8.968 -15.335 -2.183 1.00 1.91 H new ATOM 0 HA3 GLY A 41 -7.853 -15.558 -0.850 1.00 1.91 H new ATOM 618 N GLY A 42 -10.100 -14.657 0.803 1.00 2.18 N ATOM 619 CA GLY A 42 -11.213 -14.897 1.698 1.00 2.55 C ATOM 620 C GLY A 42 -10.823 -15.698 2.920 1.00 2.43 C ATOM 621 O GLY A 42 -11.245 -15.389 4.033 1.00 2.95 O ATOM 0 H GLY A 42 -9.504 -13.871 1.063 1.00 2.18 H new ATOM 0 HA2 GLY A 42 -11.631 -13.941 2.014 1.00 2.55 H new ATOM 0 HA3 GLY A 42 -11.999 -15.426 1.159 1.00 2.55 H new ATOM 625 N HIS A 43 -9.999 -16.711 2.720 1.00 2.38 N ATOM 626 CA HIS A 43 -9.649 -17.625 3.797 1.00 2.64 C ATOM 627 C HIS A 43 -8.236 -17.341 4.283 1.00 2.45 C ATOM 628 O HIS A 43 -7.306 -18.104 4.012 1.00 2.82 O ATOM 629 CB HIS A 43 -9.769 -19.084 3.329 1.00 3.41 C ATOM 630 CG HIS A 43 -11.088 -19.411 2.689 1.00 4.12 C ATOM 631 ND1 HIS A 43 -12.085 -20.113 3.330 1.00 4.78 N ATOM 632 CD2 HIS A 43 -11.569 -19.130 1.452 1.00 4.72 C ATOM 633 CE1 HIS A 43 -13.117 -20.248 2.519 1.00 5.56 C ATOM 634 NE2 HIS A 43 -12.830 -19.661 1.374 1.00 5.56 N ATOM 0 H HIS A 43 -9.559 -16.923 1.824 1.00 2.38 H new ATOM 0 HA HIS A 43 -10.344 -17.472 4.623 1.00 2.64 H new ATOM 0 HB2 HIS A 43 -8.969 -19.294 2.619 1.00 3.41 H new ATOM 0 HB3 HIS A 43 -9.618 -19.743 4.184 1.00 3.41 H new ATOM 0 HD2 HIS A 43 -11.054 -18.588 0.673 1.00 4.72 H new ATOM 0 HE1 HIS A 43 -14.042 -20.754 2.754 1.00 5.56 H new ATOM 0 HE2 HIS A 43 -13.446 -19.610 0.563 1.00 5.56 H new ATOM 643 N GLY A 44 -8.076 -16.229 4.987 1.00 2.45 N ATOM 644 CA GLY A 44 -6.770 -15.849 5.484 1.00 2.61 C ATOM 645 C GLY A 44 -5.952 -15.131 4.434 1.00 2.52 C ATOM 646 O GLY A 44 -4.724 -15.092 4.504 1.00 3.24 O ATOM 0 H GLY A 44 -8.829 -15.583 5.223 1.00 2.45 H new ATOM 0 HA2 GLY A 44 -6.887 -15.205 6.356 1.00 2.61 H new ATOM 0 HA3 GLY A 44 -6.235 -16.739 5.815 1.00 2.61 H new ATOM 650 N HIS A 45 -6.638 -14.564 3.454 1.00 2.13 N ATOM 651 CA HIS A 45 -5.981 -13.850 2.366 1.00 2.41 C ATOM 652 C HIS A 45 -6.664 -12.514 2.123 1.00 1.96 C ATOM 653 O HIS A 45 -7.575 -12.414 1.297 1.00 1.99 O ATOM 654 CB HIS A 45 -5.991 -14.681 1.078 1.00 3.13 C ATOM 655 CG HIS A 45 -4.968 -15.774 1.050 1.00 3.69 C ATOM 656 ND1 HIS A 45 -3.787 -15.673 0.351 1.00 4.34 N ATOM 657 CD2 HIS A 45 -4.952 -16.997 1.633 1.00 4.18 C ATOM 658 CE1 HIS A 45 -3.090 -16.780 0.505 1.00 4.97 C ATOM 659 NE2 HIS A 45 -3.774 -17.601 1.278 1.00 4.90 N ATOM 0 H HIS A 45 -7.656 -14.584 3.388 1.00 2.13 H new ATOM 0 HA HIS A 45 -4.945 -13.675 2.656 1.00 2.41 H new ATOM 0 HB2 HIS A 45 -6.980 -15.120 0.949 1.00 3.13 H new ATOM 0 HB3 HIS A 45 -5.823 -14.018 0.229 1.00 3.13 H new ATOM 0 HD2 HIS A 45 -5.724 -17.418 2.261 1.00 4.18 H new ATOM 0 HE1 HIS A 45 -2.122 -16.981 0.071 1.00 4.97 H new ATOM 0 HE2 HIS A 45 -3.475 -18.533 1.565 1.00 4.90 H new ATOM 668 N PRO A 46 -6.242 -11.476 2.857 1.00 1.70 N ATOM 669 CA PRO A 46 -6.796 -10.133 2.719 1.00 1.42 C ATOM 670 C PRO A 46 -6.143 -9.357 1.576 1.00 1.09 C ATOM 671 O PRO A 46 -4.999 -9.628 1.197 1.00 1.09 O ATOM 672 CB PRO A 46 -6.459 -9.495 4.068 1.00 1.54 C ATOM 673 CG PRO A 46 -5.183 -10.149 4.490 1.00 1.86 C ATOM 674 CD PRO A 46 -5.185 -11.532 3.887 1.00 1.87 C ATOM 0 HA PRO A 46 -7.860 -10.138 2.482 1.00 1.42 H new ATOM 0 HB2 PRO A 46 -6.339 -8.416 3.976 1.00 1.54 H new ATOM 0 HB3 PRO A 46 -7.252 -9.667 4.796 1.00 1.54 H new ATOM 0 HG2 PRO A 46 -4.322 -9.577 4.144 1.00 1.86 H new ATOM 0 HG3 PRO A 46 -5.115 -10.201 5.577 1.00 1.86 H new ATOM 0 HD2 PRO A 46 -4.217 -11.778 3.451 1.00 1.87 H new ATOM 0 HD3 PRO A 46 -5.400 -12.293 4.637 1.00 1.87 H new ATOM 682 N THR A 47 -6.884 -8.406 1.028 1.00 0.89 N ATOM 683 CA THR A 47 -6.385 -7.572 -0.051 1.00 0.62 C ATOM 684 C THR A 47 -5.402 -6.534 0.483 1.00 0.51 C ATOM 685 O THR A 47 -5.679 -5.849 1.469 1.00 0.59 O ATOM 686 CB THR A 47 -7.550 -6.859 -0.763 1.00 0.62 C ATOM 687 OG1 THR A 47 -8.574 -7.810 -1.076 1.00 0.76 O ATOM 688 CG2 THR A 47 -7.078 -6.176 -2.044 1.00 0.55 C ATOM 0 H THR A 47 -7.839 -8.193 1.316 1.00 0.89 H new ATOM 0 HA THR A 47 -5.870 -8.215 -0.764 1.00 0.62 H new ATOM 0 HB THR A 47 -7.944 -6.095 -0.093 1.00 0.62 H new ATOM 0 HG1 THR A 47 -8.617 -7.936 -2.047 1.00 0.76 H new ATOM 0 HG21 THR A 47 -7.922 -5.681 -2.525 1.00 0.55 H new ATOM 0 HG22 THR A 47 -6.314 -5.437 -1.802 1.00 0.55 H new ATOM 0 HG23 THR A 47 -6.661 -6.921 -2.721 1.00 0.55 H new ATOM 696 N GLN A 48 -4.258 -6.424 -0.177 1.00 0.40 N ATOM 697 CA GLN A 48 -3.214 -5.498 0.238 1.00 0.36 C ATOM 698 C GLN A 48 -2.206 -5.310 -0.880 1.00 0.33 C ATOM 699 O GLN A 48 -2.122 -6.127 -1.793 1.00 0.40 O ATOM 700 CB GLN A 48 -2.510 -6.005 1.501 1.00 0.36 C ATOM 701 CG GLN A 48 -1.983 -7.429 1.405 1.00 0.39 C ATOM 702 CD GLN A 48 -1.249 -7.857 2.664 1.00 0.49 C ATOM 703 OE1 GLN A 48 -0.623 -7.038 3.337 1.00 1.06 O ATOM 704 NE2 GLN A 48 -1.328 -9.134 3.007 1.00 1.04 N ATOM 0 H GLN A 48 -4.028 -6.969 -1.008 1.00 0.40 H new ATOM 0 HA GLN A 48 -3.678 -4.538 0.463 1.00 0.36 H new ATOM 0 HB2 GLN A 48 -1.678 -5.339 1.730 1.00 0.36 H new ATOM 0 HB3 GLN A 48 -3.206 -5.945 2.338 1.00 0.36 H new ATOM 0 HG2 GLN A 48 -2.814 -8.110 1.222 1.00 0.39 H new ATOM 0 HG3 GLN A 48 -1.311 -7.509 0.550 1.00 0.39 H new ATOM 0 HE21 GLN A 48 -1.855 -9.786 2.427 1.00 1.04 H new ATOM 0 HE22 GLN A 48 -0.862 -9.465 3.852 1.00 1.04 H new ATOM 713 N VAL A 49 -1.445 -4.232 -0.814 1.00 0.29 N ATOM 714 CA VAL A 49 -0.428 -3.979 -1.813 1.00 0.29 C ATOM 715 C VAL A 49 0.959 -4.073 -1.189 1.00 0.28 C ATOM 716 O VAL A 49 1.285 -3.366 -0.234 1.00 0.30 O ATOM 717 CB VAL A 49 -0.626 -2.609 -2.508 1.00 0.32 C ATOM 718 CG1 VAL A 49 -0.626 -1.465 -1.505 1.00 0.32 C ATOM 719 CG2 VAL A 49 0.438 -2.389 -3.572 1.00 0.36 C ATOM 0 H VAL A 49 -1.513 -3.523 -0.083 1.00 0.29 H new ATOM 0 HA VAL A 49 -0.523 -4.745 -2.582 1.00 0.29 H new ATOM 0 HB VAL A 49 -1.603 -2.623 -2.990 1.00 0.32 H new ATOM 0 HG11 VAL A 49 -0.767 -0.520 -2.030 1.00 0.32 H new ATOM 0 HG12 VAL A 49 -1.437 -1.608 -0.790 1.00 0.32 H new ATOM 0 HG13 VAL A 49 0.326 -1.446 -0.975 1.00 0.32 H new ATOM 0 HG21 VAL A 49 0.281 -1.421 -4.048 1.00 0.36 H new ATOM 0 HG22 VAL A 49 1.425 -2.410 -3.110 1.00 0.36 H new ATOM 0 HG23 VAL A 49 0.371 -3.177 -4.322 1.00 0.36 H new ATOM 729 N ARG A 50 1.752 -4.996 -1.704 1.00 0.31 N ATOM 730 CA ARG A 50 3.105 -5.179 -1.215 1.00 0.30 C ATOM 731 C ARG A 50 4.102 -4.445 -2.098 1.00 0.27 C ATOM 732 O ARG A 50 3.950 -4.395 -3.320 1.00 0.30 O ATOM 733 CB ARG A 50 3.468 -6.668 -1.136 1.00 0.34 C ATOM 734 CG ARG A 50 3.612 -7.342 -2.491 1.00 0.39 C ATOM 735 CD ARG A 50 4.097 -8.773 -2.349 1.00 0.52 C ATOM 736 NE ARG A 50 4.497 -9.351 -3.631 1.00 1.34 N ATOM 737 CZ ARG A 50 4.858 -10.621 -3.792 1.00 1.60 C ATOM 738 NH1 ARG A 50 4.832 -11.458 -2.763 1.00 1.15 N ATOM 739 NH2 ARG A 50 5.242 -11.050 -4.988 1.00 2.62 N ATOM 0 H ARG A 50 1.483 -5.628 -2.458 1.00 0.31 H new ATOM 0 HA ARG A 50 3.152 -4.760 -0.210 1.00 0.30 H new ATOM 0 HB2 ARG A 50 4.404 -6.775 -0.587 1.00 0.34 H new ATOM 0 HB3 ARG A 50 2.701 -7.188 -0.562 1.00 0.34 H new ATOM 0 HG2 ARG A 50 2.653 -7.331 -3.008 1.00 0.39 H new ATOM 0 HG3 ARG A 50 4.313 -6.778 -3.107 1.00 0.39 H new ATOM 0 HD2 ARG A 50 4.941 -8.802 -1.660 1.00 0.52 H new ATOM 0 HD3 ARG A 50 3.306 -9.381 -1.909 1.00 0.52 H new ATOM 0 HE ARG A 50 4.499 -8.744 -4.451 1.00 1.34 H new ATOM 0 HH11 ARG A 50 4.534 -11.128 -1.845 1.00 1.15 H new ATOM 0 HH12 ARG A 50 5.109 -12.431 -2.890 1.00 1.15 H new ATOM 0 HH21 ARG A 50 5.259 -10.407 -5.779 1.00 2.62 H new ATOM 0 HH22 ARG A 50 5.520 -12.023 -5.116 1.00 2.62 H new ATOM 753 N ILE A 51 5.105 -3.861 -1.468 1.00 0.24 N ATOM 754 CA ILE A 51 6.184 -3.215 -2.184 1.00 0.23 C ATOM 755 C ILE A 51 7.453 -4.038 -2.026 1.00 0.24 C ATOM 756 O ILE A 51 7.998 -4.153 -0.926 1.00 0.27 O ATOM 757 CB ILE A 51 6.444 -1.782 -1.669 1.00 0.28 C ATOM 758 CG1 ILE A 51 5.135 -0.989 -1.602 1.00 0.34 C ATOM 759 CG2 ILE A 51 7.449 -1.076 -2.570 1.00 0.31 C ATOM 760 CD1 ILE A 51 5.304 0.413 -1.053 1.00 0.42 C ATOM 0 H ILE A 51 5.192 -3.822 -0.452 1.00 0.24 H new ATOM 0 HA ILE A 51 5.895 -3.148 -3.233 1.00 0.23 H new ATOM 0 HB ILE A 51 6.859 -1.843 -0.663 1.00 0.28 H new ATOM 0 HG12 ILE A 51 4.704 -0.930 -2.601 1.00 0.34 H new ATOM 0 HG13 ILE A 51 4.423 -1.531 -0.980 1.00 0.34 H new ATOM 0 HG21 ILE A 51 7.625 -0.067 -2.198 1.00 0.31 H new ATOM 0 HG22 ILE A 51 8.387 -1.630 -2.573 1.00 0.31 H new ATOM 0 HG23 ILE A 51 7.055 -1.025 -3.585 1.00 0.31 H new ATOM 0 HD11 ILE A 51 4.337 0.916 -1.034 1.00 0.42 H new ATOM 0 HD12 ILE A 51 5.706 0.362 -0.041 1.00 0.42 H new ATOM 0 HD13 ILE A 51 5.991 0.972 -1.688 1.00 0.42 H new ATOM 772 N VAL A 52 7.901 -4.623 -3.120 1.00 0.24 N ATOM 773 CA VAL A 52 9.101 -5.436 -3.119 1.00 0.30 C ATOM 774 C VAL A 52 10.182 -4.748 -3.935 1.00 0.34 C ATOM 775 O VAL A 52 9.975 -4.407 -5.100 1.00 0.33 O ATOM 776 CB VAL A 52 8.840 -6.846 -3.698 1.00 0.36 C ATOM 777 CG1 VAL A 52 10.107 -7.690 -3.675 1.00 0.46 C ATOM 778 CG2 VAL A 52 7.722 -7.540 -2.936 1.00 0.38 C ATOM 0 H VAL A 52 7.446 -4.549 -4.030 1.00 0.24 H new ATOM 0 HA VAL A 52 9.424 -5.552 -2.084 1.00 0.30 H new ATOM 0 HB VAL A 52 8.530 -6.731 -4.737 1.00 0.36 H new ATOM 0 HG11 VAL A 52 9.895 -8.676 -4.088 1.00 0.46 H new ATOM 0 HG12 VAL A 52 10.878 -7.205 -4.273 1.00 0.46 H new ATOM 0 HG13 VAL A 52 10.456 -7.794 -2.648 1.00 0.46 H new ATOM 0 HG21 VAL A 52 7.554 -8.530 -3.359 1.00 0.38 H new ATOM 0 HG22 VAL A 52 8.002 -7.636 -1.887 1.00 0.38 H new ATOM 0 HG23 VAL A 52 6.808 -6.952 -3.015 1.00 0.38 H new ATOM 788 N ALA A 53 11.325 -4.533 -3.320 1.00 0.42 N ATOM 789 CA ALA A 53 12.409 -3.827 -3.971 1.00 0.53 C ATOM 790 C ALA A 53 13.564 -4.765 -4.285 1.00 0.73 C ATOM 791 O ALA A 53 14.274 -5.208 -3.377 1.00 0.93 O ATOM 792 CB ALA A 53 12.880 -2.680 -3.099 1.00 0.70 C ATOM 0 H ALA A 53 11.529 -4.837 -2.368 1.00 0.42 H new ATOM 0 HA ALA A 53 12.038 -3.426 -4.914 1.00 0.53 H new ATOM 0 HB1 ALA A 53 13.695 -2.155 -3.597 1.00 0.70 H new ATOM 0 HB2 ALA A 53 12.054 -1.989 -2.929 1.00 0.70 H new ATOM 0 HB3 ALA A 53 13.230 -3.070 -2.143 1.00 0.70 H new ATOM 798 N PRO A 54 13.757 -5.099 -5.570 1.00 0.85 N ATOM 799 CA PRO A 54 14.868 -5.949 -6.006 1.00 1.12 C ATOM 800 C PRO A 54 16.218 -5.328 -5.661 1.00 1.33 C ATOM 801 O PRO A 54 16.392 -4.108 -5.733 1.00 1.67 O ATOM 802 CB PRO A 54 14.694 -6.039 -7.527 1.00 1.38 C ATOM 803 CG PRO A 54 13.272 -5.670 -7.776 1.00 1.38 C ATOM 804 CD PRO A 54 12.908 -4.685 -6.701 1.00 0.90 C ATOM 0 HA PRO A 54 14.854 -6.922 -5.515 1.00 1.12 H new ATOM 0 HB2 PRO A 54 15.374 -5.361 -8.043 1.00 1.38 H new ATOM 0 HB3 PRO A 54 14.910 -7.044 -7.890 1.00 1.38 H new ATOM 0 HG2 PRO A 54 13.150 -5.231 -8.766 1.00 1.38 H new ATOM 0 HG3 PRO A 54 12.628 -6.548 -7.736 1.00 1.38 H new ATOM 0 HD2 PRO A 54 13.115 -3.659 -7.007 1.00 0.90 H new ATOM 0 HD3 PRO A 54 11.849 -4.735 -6.450 1.00 0.90 H new ATOM 812 N HIS A 55 17.168 -6.163 -5.283 1.00 1.70 N ATOM 813 CA HIS A 55 18.480 -5.681 -4.896 1.00 2.07 C ATOM 814 C HIS A 55 19.534 -6.158 -5.883 1.00 2.00 C ATOM 815 O HIS A 55 19.585 -7.338 -6.228 1.00 2.68 O ATOM 816 CB HIS A 55 18.843 -6.134 -3.468 1.00 3.16 C ATOM 817 CG HIS A 55 18.993 -7.619 -3.296 1.00 3.95 C ATOM 818 ND1 HIS A 55 20.202 -8.275 -3.390 1.00 4.65 N ATOM 819 CD2 HIS A 55 18.074 -8.572 -3.023 1.00 4.64 C ATOM 820 CE1 HIS A 55 20.016 -9.564 -3.181 1.00 5.54 C ATOM 821 NE2 HIS A 55 18.734 -9.773 -2.957 1.00 5.53 N ATOM 0 H HIS A 55 17.056 -7.176 -5.236 1.00 1.70 H new ATOM 0 HA HIS A 55 18.452 -4.591 -4.908 1.00 2.07 H new ATOM 0 HB2 HIS A 55 19.776 -5.653 -3.176 1.00 3.16 H new ATOM 0 HB3 HIS A 55 18.073 -5.779 -2.783 1.00 3.16 H new ATOM 0 HD1 HIS A 55 21.099 -7.833 -3.590 1.00 4.65 H new ATOM 0 HD2 HIS A 55 17.015 -8.417 -2.883 1.00 4.64 H new ATOM 0 HE1 HIS A 55 20.786 -10.322 -3.192 1.00 5.54 H new ATOM 830 N ALA A 56 20.345 -5.233 -6.357 1.00 2.11 N ATOM 831 CA ALA A 56 21.504 -5.587 -7.145 1.00 2.93 C ATOM 832 C ALA A 56 22.651 -5.905 -6.202 1.00 3.03 C ATOM 833 O ALA A 56 22.780 -5.260 -5.158 1.00 3.40 O ATOM 834 CB ALA A 56 21.870 -4.465 -8.099 1.00 3.83 C ATOM 0 H ALA A 56 20.221 -4.231 -6.209 1.00 2.11 H new ATOM 0 HA ALA A 56 21.284 -6.464 -7.753 1.00 2.93 H new ATOM 0 HB1 ALA A 56 22.745 -4.754 -8.682 1.00 3.83 H new ATOM 0 HB2 ALA A 56 21.034 -4.272 -8.771 1.00 3.83 H new ATOM 0 HB3 ALA A 56 22.094 -3.563 -7.530 1.00 3.83 H new ATOM 840 N GLU A 57 23.458 -6.901 -6.564 1.00 3.26 N ATOM 841 CA GLU A 57 24.515 -7.421 -5.695 1.00 3.76 C ATOM 842 C GLU A 57 23.905 -8.178 -4.512 1.00 3.61 C ATOM 843 O GLU A 57 22.875 -7.785 -3.953 1.00 3.99 O ATOM 844 CB GLU A 57 25.450 -6.305 -5.200 1.00 4.58 C ATOM 845 CG GLU A 57 26.406 -5.762 -6.260 1.00 5.31 C ATOM 846 CD GLU A 57 25.722 -4.910 -7.311 1.00 5.69 C ATOM 847 OE1 GLU A 57 25.410 -3.731 -7.024 1.00 6.04 O ATOM 848 OE2 GLU A 57 25.474 -5.419 -8.424 1.00 5.97 O ATOM 0 H GLU A 57 23.398 -7.371 -7.467 1.00 3.26 H new ATOM 0 HA GLU A 57 25.118 -8.111 -6.285 1.00 3.76 H new ATOM 0 HB2 GLU A 57 24.844 -5.483 -4.820 1.00 4.58 H new ATOM 0 HB3 GLU A 57 26.035 -6.684 -4.362 1.00 4.58 H new ATOM 0 HG2 GLU A 57 27.180 -5.170 -5.771 1.00 5.31 H new ATOM 0 HG3 GLU A 57 26.906 -6.598 -6.750 1.00 5.31 H new ATOM 855 N HIS A 58 24.545 -9.278 -4.139 1.00 3.56 N ATOM 856 CA HIS A 58 23.997 -10.178 -3.127 1.00 3.76 C ATOM 857 C HIS A 58 24.272 -9.666 -1.722 1.00 3.57 C ATOM 858 O HIS A 58 23.515 -9.945 -0.794 1.00 4.09 O ATOM 859 CB HIS A 58 24.563 -11.594 -3.278 1.00 4.54 C ATOM 860 CG HIS A 58 24.152 -12.283 -4.543 1.00 5.13 C ATOM 861 ND1 HIS A 58 23.081 -13.147 -4.617 1.00 5.69 N ATOM 862 CD2 HIS A 58 24.681 -12.239 -5.789 1.00 5.69 C ATOM 863 CE1 HIS A 58 22.971 -13.605 -5.849 1.00 6.45 C ATOM 864 NE2 HIS A 58 23.929 -13.069 -6.581 1.00 6.46 N ATOM 0 H HIS A 58 25.444 -9.571 -4.521 1.00 3.56 H new ATOM 0 HA HIS A 58 22.919 -10.211 -3.282 1.00 3.76 H new ATOM 0 HB2 HIS A 58 25.651 -11.545 -3.240 1.00 4.54 H new ATOM 0 HB3 HIS A 58 24.241 -12.195 -2.428 1.00 4.54 H new ATOM 0 HD2 HIS A 58 25.536 -11.658 -6.101 1.00 5.69 H new ATOM 0 HE1 HIS A 58 22.223 -14.301 -6.199 1.00 6.45 H new ATOM 0 HE2 HIS A 58 24.085 -13.243 -7.574 1.00 6.46 H new ATOM 873 N VAL A 59 25.352 -8.920 -1.565 1.00 3.30 N ATOM 874 CA VAL A 59 25.710 -8.381 -0.265 1.00 3.48 C ATOM 875 C VAL A 59 25.662 -6.859 -0.273 1.00 2.89 C ATOM 876 O VAL A 59 26.160 -6.211 -1.195 1.00 3.24 O ATOM 877 CB VAL A 59 27.101 -8.865 0.206 1.00 4.38 C ATOM 878 CG1 VAL A 59 27.061 -10.357 0.499 1.00 5.11 C ATOM 879 CG2 VAL A 59 28.178 -8.551 -0.824 1.00 5.10 C ATOM 0 H VAL A 59 25.994 -8.675 -2.319 1.00 3.30 H new ATOM 0 HA VAL A 59 24.971 -8.756 0.443 1.00 3.48 H new ATOM 0 HB VAL A 59 27.355 -8.329 1.121 1.00 4.38 H new ATOM 0 HG11 VAL A 59 28.045 -10.689 0.830 1.00 5.11 H new ATOM 0 HG12 VAL A 59 26.329 -10.555 1.282 1.00 5.11 H new ATOM 0 HG13 VAL A 59 26.781 -10.898 -0.405 1.00 5.11 H new ATOM 0 HG21 VAL A 59 29.143 -8.905 -0.461 1.00 5.10 H new ATOM 0 HG22 VAL A 59 27.939 -9.049 -1.764 1.00 5.10 H new ATOM 0 HG23 VAL A 59 28.224 -7.474 -0.986 1.00 5.10 H new ATOM 889 N ARG A 60 25.028 -6.299 0.745 1.00 2.60 N ATOM 890 CA ARG A 60 24.924 -4.856 0.898 1.00 2.50 C ATOM 891 C ARG A 60 25.103 -4.499 2.369 1.00 2.31 C ATOM 892 O ARG A 60 25.464 -5.362 3.172 1.00 2.94 O ATOM 893 CB ARG A 60 23.562 -4.340 0.403 1.00 3.03 C ATOM 894 CG ARG A 60 23.286 -4.585 -1.077 1.00 3.53 C ATOM 895 CD ARG A 60 22.051 -3.821 -1.546 1.00 4.11 C ATOM 896 NE ARG A 60 22.211 -2.377 -1.370 1.00 4.48 N ATOM 897 CZ ARG A 60 21.207 -1.497 -1.353 1.00 5.30 C ATOM 898 NH1 ARG A 60 19.953 -1.896 -1.528 1.00 5.79 N ATOM 899 NH2 ARG A 60 21.464 -0.209 -1.173 1.00 5.97 N ATOM 0 H ARG A 60 24.572 -6.830 1.487 1.00 2.60 H new ATOM 0 HA ARG A 60 25.702 -4.385 0.297 1.00 2.50 H new ATOM 0 HB2 ARG A 60 22.775 -4.814 0.989 1.00 3.03 H new ATOM 0 HB3 ARG A 60 23.502 -3.269 0.597 1.00 3.03 H new ATOM 0 HG2 ARG A 60 24.151 -4.279 -1.666 1.00 3.53 H new ATOM 0 HG3 ARG A 60 23.144 -5.652 -1.251 1.00 3.53 H new ATOM 0 HD2 ARG A 60 21.864 -4.041 -2.597 1.00 4.11 H new ATOM 0 HD3 ARG A 60 21.178 -4.161 -0.988 1.00 4.11 H new ATOM 0 HE ARG A 60 23.158 -2.017 -1.252 1.00 4.48 H new ATOM 0 HH11 ARG A 60 19.748 -2.884 -1.677 1.00 5.79 H new ATOM 0 HH12 ARG A 60 19.194 -1.215 -1.513 1.00 5.79 H new ATOM 0 HH21 ARG A 60 22.426 0.107 -1.048 1.00 5.97 H new ATOM 0 HH22 ARG A 60 20.700 0.466 -1.159 1.00 5.97 H new ATOM 913 N GLY A 61 24.867 -3.242 2.721 1.00 1.94 N ATOM 914 CA GLY A 61 24.905 -2.853 4.121 1.00 1.93 C ATOM 915 C GLY A 61 23.788 -3.514 4.901 1.00 1.61 C ATOM 916 O GLY A 61 24.000 -4.048 5.993 1.00 1.76 O ATOM 0 H GLY A 61 24.651 -2.488 2.069 1.00 1.94 H new ATOM 0 HA2 GLY A 61 25.867 -3.129 4.552 1.00 1.93 H new ATOM 0 HA3 GLY A 61 24.818 -1.770 4.203 1.00 1.93 H new ATOM 920 N TYR A 62 22.597 -3.493 4.323 1.00 1.30 N ATOM 921 CA TYR A 62 21.450 -4.168 4.905 1.00 1.07 C ATOM 922 C TYR A 62 21.199 -5.478 4.170 1.00 0.90 C ATOM 923 O TYR A 62 21.232 -5.522 2.939 1.00 0.91 O ATOM 924 CB TYR A 62 20.203 -3.280 4.833 1.00 1.04 C ATOM 925 CG TYR A 62 20.265 -2.055 5.722 1.00 1.31 C ATOM 926 CD1 TYR A 62 20.901 -0.898 5.289 1.00 1.51 C ATOM 927 CD2 TYR A 62 19.697 -2.052 6.992 1.00 1.54 C ATOM 928 CE1 TYR A 62 20.971 0.222 6.091 1.00 1.79 C ATOM 929 CE2 TYR A 62 19.761 -0.931 7.800 1.00 1.83 C ATOM 930 CZ TYR A 62 20.360 0.188 7.365 1.00 1.91 C ATOM 931 OH TYR A 62 20.468 1.319 8.143 1.00 2.22 O ATOM 0 H TYR A 62 22.400 -3.012 3.445 1.00 1.30 H new ATOM 0 HA TYR A 62 21.663 -4.375 5.954 1.00 1.07 H new ATOM 0 HB2 TYR A 62 20.057 -2.960 3.801 1.00 1.04 H new ATOM 0 HB3 TYR A 62 19.331 -3.873 5.110 1.00 1.04 H new ATOM 0 HD1 TYR A 62 21.349 -0.875 4.306 1.00 1.51 H new ATOM 0 HD2 TYR A 62 19.198 -2.939 7.353 1.00 1.54 H new ATOM 0 HE1 TYR A 62 21.484 1.110 5.751 1.00 1.79 H new ATOM 0 HE2 TYR A 62 19.326 -0.957 8.788 1.00 1.83 H new ATOM 0 HH TYR A 62 20.007 1.175 8.996 1.00 2.22 H new ATOM 941 N ALA A 63 20.963 -6.541 4.923 1.00 0.92 N ATOM 942 CA ALA A 63 20.760 -7.857 4.337 1.00 0.91 C ATOM 943 C ALA A 63 19.290 -8.115 4.031 1.00 0.78 C ATOM 944 O ALA A 63 18.947 -9.118 3.399 1.00 0.94 O ATOM 945 CB ALA A 63 21.304 -8.933 5.262 1.00 1.16 C ATOM 0 H ALA A 63 20.907 -6.518 5.941 1.00 0.92 H new ATOM 0 HA ALA A 63 21.304 -7.889 3.393 1.00 0.91 H new ATOM 0 HB1 ALA A 63 21.146 -9.913 4.812 1.00 1.16 H new ATOM 0 HB2 ALA A 63 22.371 -8.773 5.418 1.00 1.16 H new ATOM 0 HB3 ALA A 63 20.786 -8.885 6.220 1.00 1.16 H new ATOM 951 N HIS A 64 18.424 -7.219 4.487 1.00 0.60 N ATOM 952 CA HIS A 64 16.994 -7.349 4.242 1.00 0.51 C ATOM 953 C HIS A 64 16.527 -6.331 3.211 1.00 0.47 C ATOM 954 O HIS A 64 16.517 -5.125 3.475 1.00 0.48 O ATOM 955 CB HIS A 64 16.189 -7.177 5.534 1.00 0.54 C ATOM 956 CG HIS A 64 16.375 -8.291 6.516 1.00 0.73 C ATOM 957 ND1 HIS A 64 15.599 -9.432 6.516 1.00 0.99 N ATOM 958 CD2 HIS A 64 17.255 -8.440 7.534 1.00 1.01 C ATOM 959 CE1 HIS A 64 15.995 -10.230 7.489 1.00 1.13 C ATOM 960 NE2 HIS A 64 16.996 -9.652 8.120 1.00 1.10 N ATOM 0 H HIS A 64 18.687 -6.395 5.028 1.00 0.60 H new ATOM 0 HA HIS A 64 16.821 -8.354 3.856 1.00 0.51 H new ATOM 0 HB2 HIS A 64 16.475 -6.237 6.007 1.00 0.54 H new ATOM 0 HB3 HIS A 64 15.131 -7.099 5.284 1.00 0.54 H new ATOM 0 HD2 HIS A 64 18.019 -7.736 7.829 1.00 1.01 H new ATOM 0 HE1 HIS A 64 15.570 -11.194 7.728 1.00 1.13 H new ATOM 0 HE2 HIS A 64 17.498 -10.043 8.917 1.00 1.10 H new ATOM 969 N PRO A 65 16.154 -6.804 2.013 1.00 0.58 N ATOM 970 CA PRO A 65 15.574 -5.957 0.977 1.00 0.64 C ATOM 971 C PRO A 65 14.163 -5.521 1.359 1.00 0.53 C ATOM 972 O PRO A 65 13.466 -6.229 2.086 1.00 0.54 O ATOM 973 CB PRO A 65 15.538 -6.859 -0.268 1.00 0.84 C ATOM 974 CG PRO A 65 16.349 -8.062 0.081 1.00 1.08 C ATOM 975 CD PRO A 65 16.273 -8.199 1.572 1.00 0.77 C ATOM 0 HA PRO A 65 16.146 -5.042 0.820 1.00 0.64 H new ATOM 0 HB2 PRO A 65 14.515 -7.137 -0.521 1.00 0.84 H new ATOM 0 HB3 PRO A 65 15.953 -6.346 -1.136 1.00 0.84 H new ATOM 0 HG2 PRO A 65 15.958 -8.952 -0.412 1.00 1.08 H new ATOM 0 HG3 PRO A 65 17.382 -7.944 -0.247 1.00 1.08 H new ATOM 0 HD2 PRO A 65 15.416 -8.797 1.881 1.00 0.77 H new ATOM 0 HD3 PRO A 65 17.162 -8.680 1.981 1.00 0.77 H new ATOM 983 N LEU A 66 13.755 -4.356 0.876 1.00 0.50 N ATOM 984 CA LEU A 66 12.454 -3.795 1.219 1.00 0.44 C ATOM 985 C LEU A 66 11.311 -4.727 0.825 1.00 0.35 C ATOM 986 O LEU A 66 11.125 -5.038 -0.355 1.00 0.37 O ATOM 987 CB LEU A 66 12.274 -2.438 0.535 1.00 0.52 C ATOM 988 CG LEU A 66 10.897 -1.794 0.704 1.00 0.71 C ATOM 989 CD1 LEU A 66 10.657 -1.397 2.153 1.00 1.20 C ATOM 990 CD2 LEU A 66 10.765 -0.590 -0.214 1.00 1.05 C ATOM 0 H LEU A 66 14.308 -3.778 0.243 1.00 0.50 H new ATOM 0 HA LEU A 66 12.424 -3.670 2.301 1.00 0.44 H new ATOM 0 HB2 LEU A 66 13.027 -1.752 0.923 1.00 0.52 H new ATOM 0 HB3 LEU A 66 12.471 -2.558 -0.530 1.00 0.52 H new ATOM 0 HG LEU A 66 10.138 -2.526 0.429 1.00 0.71 H new ATOM 0 HD11 LEU A 66 9.671 -0.941 2.247 1.00 1.20 H new ATOM 0 HD12 LEU A 66 10.709 -2.283 2.786 1.00 1.20 H new ATOM 0 HD13 LEU A 66 11.418 -0.682 2.465 1.00 1.20 H new ATOM 0 HD21 LEU A 66 9.781 -0.140 -0.085 1.00 1.05 H new ATOM 0 HD22 LEU A 66 11.534 0.142 0.033 1.00 1.05 H new ATOM 0 HD23 LEU A 66 10.886 -0.907 -1.250 1.00 1.05 H new ATOM 1002 N ASN A 67 10.573 -5.192 1.824 1.00 0.32 N ATOM 1003 CA ASN A 67 9.338 -5.928 1.594 1.00 0.31 C ATOM 1004 C ASN A 67 8.262 -5.396 2.529 1.00 0.30 C ATOM 1005 O ASN A 67 8.208 -5.759 3.709 1.00 0.40 O ATOM 1006 CB ASN A 67 9.523 -7.431 1.823 1.00 0.42 C ATOM 1007 CG ASN A 67 8.320 -8.233 1.351 1.00 0.51 C ATOM 1008 OD1 ASN A 67 7.295 -8.324 2.185 1.00 0.63 O flip ATOM 1009 ND2 ASN A 67 8.302 -8.750 0.235 1.00 0.54 N flip ATOM 0 H ASN A 67 10.811 -5.071 2.808 1.00 0.32 H new ATOM 0 HA ASN A 67 9.043 -5.786 0.554 1.00 0.31 H new ATOM 0 HB2 ASN A 67 10.414 -7.771 1.296 1.00 0.42 H new ATOM 0 HB3 ASN A 67 9.689 -7.618 2.884 1.00 0.42 H new ATOM 0 HD21 ASN A 67 9.109 -8.660 -0.382 1.00 0.54 H new ATOM 0 HD22 ASN A 67 7.480 -9.269 -0.074 1.00 0.54 H new ATOM 1016 N LEU A 68 7.414 -4.532 2.003 1.00 0.26 N ATOM 1017 CA LEU A 68 6.398 -3.868 2.804 1.00 0.24 C ATOM 1018 C LEU A 68 5.007 -4.337 2.410 1.00 0.23 C ATOM 1019 O LEU A 68 4.693 -4.440 1.228 1.00 0.25 O ATOM 1020 CB LEU A 68 6.510 -2.347 2.630 1.00 0.26 C ATOM 1021 CG LEU A 68 5.374 -1.523 3.242 1.00 0.27 C ATOM 1022 CD1 LEU A 68 5.363 -1.647 4.755 1.00 0.31 C ATOM 1023 CD2 LEU A 68 5.495 -0.067 2.827 1.00 0.32 C ATOM 0 H LEU A 68 7.408 -4.271 1.017 1.00 0.26 H new ATOM 0 HA LEU A 68 6.561 -4.124 3.851 1.00 0.24 H new ATOM 0 HB2 LEU A 68 7.451 -2.018 3.071 1.00 0.26 H new ATOM 0 HB3 LEU A 68 6.562 -2.125 1.564 1.00 0.26 H new ATOM 0 HG LEU A 68 4.429 -1.916 2.867 1.00 0.27 H new ATOM 0 HD11 LEU A 68 4.546 -1.052 5.163 1.00 0.31 H new ATOM 0 HD12 LEU A 68 5.225 -2.692 5.033 1.00 0.31 H new ATOM 0 HD13 LEU A 68 6.310 -1.287 5.156 1.00 0.31 H new ATOM 0 HD21 LEU A 68 4.681 0.506 3.270 1.00 0.32 H new ATOM 0 HD22 LEU A 68 6.449 0.332 3.172 1.00 0.32 H new ATOM 0 HD23 LEU A 68 5.442 0.007 1.741 1.00 0.32 H new ATOM 1035 N ALA A 69 4.186 -4.632 3.402 1.00 0.24 N ATOM 1036 CA ALA A 69 2.798 -4.986 3.159 1.00 0.25 C ATOM 1037 C ALA A 69 1.870 -3.944 3.766 1.00 0.24 C ATOM 1038 O ALA A 69 1.797 -3.795 4.986 1.00 0.28 O ATOM 1039 CB ALA A 69 2.495 -6.361 3.724 1.00 0.30 C ATOM 0 H ALA A 69 4.457 -4.634 4.385 1.00 0.24 H new ATOM 0 HA ALA A 69 2.631 -5.011 2.082 1.00 0.25 H new ATOM 0 HB1 ALA A 69 1.451 -6.611 3.533 1.00 0.30 H new ATOM 0 HB2 ALA A 69 3.138 -7.100 3.247 1.00 0.30 H new ATOM 0 HB3 ALA A 69 2.678 -6.361 4.799 1.00 0.30 H new ATOM 1045 N LEU A 70 1.185 -3.211 2.904 1.00 0.22 N ATOM 1046 CA LEU A 70 0.284 -2.153 3.338 1.00 0.22 C ATOM 1047 C LEU A 70 -1.145 -2.666 3.440 1.00 0.23 C ATOM 1048 O LEU A 70 -1.723 -3.107 2.447 1.00 0.28 O ATOM 1049 CB LEU A 70 0.335 -0.984 2.348 1.00 0.23 C ATOM 1050 CG LEU A 70 1.663 -0.226 2.280 1.00 0.23 C ATOM 1051 CD1 LEU A 70 1.686 0.690 1.071 1.00 0.27 C ATOM 1052 CD2 LEU A 70 1.885 0.580 3.550 1.00 0.25 C ATOM 0 H LEU A 70 1.236 -3.330 1.892 1.00 0.22 H new ATOM 0 HA LEU A 70 0.606 -1.815 4.323 1.00 0.22 H new ATOM 0 HB2 LEU A 70 0.104 -1.365 1.353 1.00 0.23 H new ATOM 0 HB3 LEU A 70 -0.452 -0.277 2.609 1.00 0.23 H new ATOM 0 HG LEU A 70 2.469 -0.954 2.186 1.00 0.23 H new ATOM 0 HD11 LEU A 70 2.636 1.222 1.036 1.00 0.27 H new ATOM 0 HD12 LEU A 70 1.568 0.098 0.164 1.00 0.27 H new ATOM 0 HD13 LEU A 70 0.870 1.409 1.144 1.00 0.27 H new ATOM 0 HD21 LEU A 70 2.834 1.112 3.482 1.00 0.25 H new ATOM 0 HD22 LEU A 70 1.074 1.299 3.671 1.00 0.25 H new ATOM 0 HD23 LEU A 70 1.906 -0.092 4.408 1.00 0.25 H new ATOM 1064 N THR A 71 -1.716 -2.604 4.636 1.00 0.21 N ATOM 1065 CA THR A 71 -3.109 -2.973 4.829 1.00 0.23 C ATOM 1066 C THR A 71 -3.869 -1.819 5.466 1.00 0.22 C ATOM 1067 O THR A 71 -3.301 -1.045 6.239 1.00 0.21 O ATOM 1068 CB THR A 71 -3.262 -4.233 5.713 1.00 0.29 C ATOM 1069 OG1 THR A 71 -2.414 -4.146 6.866 1.00 0.75 O ATOM 1070 CG2 THR A 71 -2.939 -5.499 4.939 1.00 0.52 C ATOM 0 H THR A 71 -1.236 -2.302 5.484 1.00 0.21 H new ATOM 0 HA THR A 71 -3.521 -3.200 3.846 1.00 0.23 H new ATOM 0 HB THR A 71 -4.303 -4.281 6.032 1.00 0.29 H new ATOM 0 HG1 THR A 71 -1.840 -3.355 6.791 1.00 0.75 H new ATOM 0 HG21 THR A 71 -3.057 -6.364 5.591 1.00 0.52 H new ATOM 0 HG22 THR A 71 -3.617 -5.589 4.090 1.00 0.52 H new ATOM 0 HG23 THR A 71 -1.911 -5.453 4.579 1.00 0.52 H new ATOM 1078 N TRP A 72 -5.149 -1.715 5.154 1.00 0.25 N ATOM 1079 CA TRP A 72 -5.971 -0.636 5.671 1.00 0.27 C ATOM 1080 C TRP A 72 -7.209 -1.194 6.351 1.00 0.28 C ATOM 1081 O TRP A 72 -7.685 -2.282 6.011 1.00 0.32 O ATOM 1082 CB TRP A 72 -6.376 0.323 4.544 1.00 0.31 C ATOM 1083 CG TRP A 72 -5.234 1.117 3.978 1.00 0.29 C ATOM 1084 CD1 TRP A 72 -4.788 2.333 4.413 1.00 0.32 C ATOM 1085 CD2 TRP A 72 -4.407 0.763 2.862 1.00 0.28 C ATOM 1086 NE1 TRP A 72 -3.731 2.752 3.643 1.00 0.32 N ATOM 1087 CE2 TRP A 72 -3.479 1.807 2.684 1.00 0.29 C ATOM 1088 CE3 TRP A 72 -4.358 -0.336 2.001 1.00 0.29 C ATOM 1089 CZ2 TRP A 72 -2.516 1.784 1.679 1.00 0.30 C ATOM 1090 CZ3 TRP A 72 -3.401 -0.356 1.003 1.00 0.31 C ATOM 1091 CH2 TRP A 72 -2.493 0.698 0.851 1.00 0.31 C ATOM 0 H TRP A 72 -5.642 -2.367 4.544 1.00 0.25 H new ATOM 0 HA TRP A 72 -5.386 -0.082 6.405 1.00 0.27 H new ATOM 0 HB2 TRP A 72 -6.839 -0.251 3.741 1.00 0.31 H new ATOM 0 HB3 TRP A 72 -7.132 1.012 4.921 1.00 0.31 H new ATOM 0 HD1 TRP A 72 -5.206 2.885 5.242 1.00 0.32 H new ATOM 0 HE1 TRP A 72 -3.217 3.625 3.765 1.00 0.32 H new ATOM 0 HE3 TRP A 72 -5.054 -1.154 2.113 1.00 0.29 H new ATOM 0 HZ2 TRP A 72 -1.813 2.595 1.558 1.00 0.30 H new ATOM 0 HZ3 TRP A 72 -3.354 -1.199 0.330 1.00 0.31 H new ATOM 0 HH2 TRP A 72 -1.758 0.652 0.061 1.00 0.31 H new ATOM 1102 N ASN A 73 -7.703 -0.445 7.327 1.00 0.31 N ATOM 1103 CA ASN A 73 -8.901 -0.810 8.068 1.00 0.35 C ATOM 1104 C ASN A 73 -10.083 -0.980 7.125 1.00 0.31 C ATOM 1105 O ASN A 73 -10.427 -0.066 6.374 1.00 0.30 O ATOM 1106 CB ASN A 73 -9.213 0.272 9.106 1.00 0.45 C ATOM 1107 CG ASN A 73 -8.179 0.330 10.214 1.00 0.76 C ATOM 1108 OD1 ASN A 73 -7.644 -0.696 10.635 1.00 1.02 O ATOM 1109 ND2 ASN A 73 -7.869 1.533 10.677 1.00 0.94 N ATOM 0 H ASN A 73 -7.283 0.435 7.627 1.00 0.31 H new ATOM 0 HA ASN A 73 -8.725 -1.759 8.574 1.00 0.35 H new ATOM 0 HB2 ASN A 73 -9.265 1.242 8.611 1.00 0.45 H new ATOM 0 HB3 ASN A 73 -10.195 0.083 9.540 1.00 0.45 H new ATOM 0 HD21 ASN A 73 -7.165 1.632 11.408 1.00 0.94 H new ATOM 0 HD22 ASN A 73 -8.335 2.359 10.302 1.00 0.94 H new ATOM 1116 N THR A 74 -10.699 -2.160 7.177 1.00 0.36 N ATOM 1117 CA THR A 74 -11.801 -2.520 6.289 1.00 0.38 C ATOM 1118 C THR A 74 -12.955 -1.524 6.390 1.00 0.37 C ATOM 1119 O THR A 74 -13.674 -1.289 5.416 1.00 0.38 O ATOM 1120 CB THR A 74 -12.314 -3.937 6.612 1.00 0.50 C ATOM 1121 OG1 THR A 74 -11.204 -4.840 6.706 1.00 0.74 O ATOM 1122 CG2 THR A 74 -13.284 -4.436 5.546 1.00 0.71 C ATOM 0 H THR A 74 -10.447 -2.895 7.838 1.00 0.36 H new ATOM 0 HA THR A 74 -11.416 -2.496 5.269 1.00 0.38 H new ATOM 0 HB THR A 74 -12.845 -3.895 7.563 1.00 0.50 H new ATOM 0 HG1 THR A 74 -11.531 -5.740 6.913 1.00 0.74 H new ATOM 0 HG21 THR A 74 -13.626 -5.438 5.806 1.00 0.71 H new ATOM 0 HG22 THR A 74 -14.140 -3.764 5.490 1.00 0.71 H new ATOM 0 HG23 THR A 74 -12.780 -4.463 4.580 1.00 0.71 H new ATOM 1130 N ASP A 75 -13.123 -0.936 7.568 1.00 0.39 N ATOM 1131 CA ASP A 75 -14.140 0.087 7.772 1.00 0.45 C ATOM 1132 C ASP A 75 -13.842 1.305 6.916 1.00 0.40 C ATOM 1133 O ASP A 75 -14.715 1.807 6.212 1.00 0.44 O ATOM 1134 CB ASP A 75 -14.220 0.493 9.245 1.00 0.55 C ATOM 1135 CG ASP A 75 -14.878 -0.562 10.108 1.00 1.11 C ATOM 1136 OD1 ASP A 75 -16.113 -0.518 10.262 1.00 1.37 O ATOM 1137 OD2 ASP A 75 -14.164 -1.440 10.642 1.00 1.98 O ATOM 0 H ASP A 75 -12.568 -1.150 8.396 1.00 0.39 H new ATOM 0 HA ASP A 75 -15.102 -0.331 7.476 1.00 0.45 H new ATOM 0 HB2 ASP A 75 -13.215 0.687 9.619 1.00 0.55 H new ATOM 0 HB3 ASP A 75 -14.777 1.426 9.331 1.00 0.55 H new ATOM 1142 N GLU A 76 -12.603 1.778 6.983 1.00 0.39 N ATOM 1143 CA GLU A 76 -12.170 2.909 6.170 1.00 0.44 C ATOM 1144 C GLU A 76 -12.286 2.585 4.680 1.00 0.38 C ATOM 1145 O GLU A 76 -12.565 3.463 3.869 1.00 0.41 O ATOM 1146 CB GLU A 76 -10.734 3.311 6.517 1.00 0.53 C ATOM 1147 CG GLU A 76 -10.512 3.564 8.001 1.00 0.85 C ATOM 1148 CD GLU A 76 -11.516 4.531 8.600 1.00 0.97 C ATOM 1149 OE1 GLU A 76 -11.319 5.759 8.479 1.00 1.25 O ATOM 1150 OE2 GLU A 76 -12.503 4.062 9.206 1.00 1.57 O ATOM 0 H GLU A 76 -11.880 1.396 7.592 1.00 0.39 H new ATOM 0 HA GLU A 76 -12.826 3.751 6.391 1.00 0.44 H new ATOM 0 HB2 GLU A 76 -10.056 2.525 6.186 1.00 0.53 H new ATOM 0 HB3 GLU A 76 -10.474 4.212 5.961 1.00 0.53 H new ATOM 0 HG2 GLU A 76 -10.566 2.616 8.537 1.00 0.85 H new ATOM 0 HG3 GLU A 76 -9.506 3.957 8.149 1.00 0.85 H new ATOM 1157 N ILE A 77 -12.071 1.321 4.327 1.00 0.34 N ATOM 1158 CA ILE A 77 -12.285 0.865 2.954 1.00 0.34 C ATOM 1159 C ILE A 77 -13.744 1.071 2.543 1.00 0.34 C ATOM 1160 O ILE A 77 -14.033 1.535 1.439 1.00 0.37 O ATOM 1161 CB ILE A 77 -11.911 -0.629 2.783 1.00 0.34 C ATOM 1162 CG1 ILE A 77 -10.436 -0.869 3.143 1.00 0.37 C ATOM 1163 CG2 ILE A 77 -12.192 -1.094 1.359 1.00 0.39 C ATOM 1164 CD1 ILE A 77 -9.980 -2.303 2.936 1.00 0.40 C ATOM 0 H ILE A 77 -11.750 0.596 4.968 1.00 0.34 H new ATOM 0 HA ILE A 77 -11.635 1.459 2.311 1.00 0.34 H new ATOM 0 HB ILE A 77 -12.529 -1.211 3.466 1.00 0.34 H new ATOM 0 HG12 ILE A 77 -9.812 -0.209 2.540 1.00 0.37 H new ATOM 0 HG13 ILE A 77 -10.277 -0.594 4.186 1.00 0.37 H new ATOM 0 HG21 ILE A 77 -11.923 -2.146 1.260 1.00 0.39 H new ATOM 0 HG22 ILE A 77 -13.252 -0.968 1.138 1.00 0.39 H new ATOM 0 HG23 ILE A 77 -11.603 -0.501 0.660 1.00 0.39 H new ATOM 0 HD11 ILE A 77 -8.929 -2.394 3.211 1.00 0.40 H new ATOM 0 HD12 ILE A 77 -10.577 -2.968 3.559 1.00 0.40 H new ATOM 0 HD13 ILE A 77 -10.106 -2.577 1.889 1.00 0.40 H new ATOM 1176 N GLU A 78 -14.654 0.742 3.448 1.00 0.34 N ATOM 1177 CA GLU A 78 -16.082 0.919 3.212 1.00 0.37 C ATOM 1178 C GLU A 78 -16.424 2.410 3.155 1.00 0.38 C ATOM 1179 O GLU A 78 -17.309 2.833 2.410 1.00 0.40 O ATOM 1180 CB GLU A 78 -16.874 0.211 4.317 1.00 0.43 C ATOM 1181 CG GLU A 78 -18.377 0.230 4.119 1.00 0.64 C ATOM 1182 CD GLU A 78 -19.104 -0.612 5.144 1.00 1.33 C ATOM 1183 OE1 GLU A 78 -19.168 -0.201 6.321 1.00 1.65 O ATOM 1184 OE2 GLU A 78 -19.619 -1.689 4.781 1.00 2.15 O ATOM 0 H GLU A 78 -14.427 0.347 4.361 1.00 0.34 H new ATOM 0 HA GLU A 78 -16.353 0.476 2.254 1.00 0.37 H new ATOM 0 HB2 GLU A 78 -16.541 -0.825 4.380 1.00 0.43 H new ATOM 0 HB3 GLU A 78 -16.639 0.680 5.273 1.00 0.43 H new ATOM 0 HG2 GLU A 78 -18.735 1.258 4.177 1.00 0.64 H new ATOM 0 HG3 GLU A 78 -18.614 -0.134 3.119 1.00 0.64 H new ATOM 1191 N ARG A 79 -15.703 3.194 3.946 1.00 0.40 N ATOM 1192 CA ARG A 79 -15.808 4.650 3.930 1.00 0.45 C ATOM 1193 C ARG A 79 -15.491 5.208 2.540 1.00 0.42 C ATOM 1194 O ARG A 79 -16.076 6.203 2.114 1.00 0.45 O ATOM 1195 CB ARG A 79 -14.847 5.234 4.975 1.00 0.56 C ATOM 1196 CG ARG A 79 -14.756 6.753 4.986 1.00 1.06 C ATOM 1197 CD ARG A 79 -16.060 7.396 5.421 1.00 1.60 C ATOM 1198 NE ARG A 79 -15.935 8.848 5.529 1.00 2.14 N ATOM 1199 CZ ARG A 79 -16.952 9.697 5.403 1.00 3.09 C ATOM 1200 NH1 ARG A 79 -18.175 9.241 5.163 1.00 3.61 N ATOM 1201 NH2 ARG A 79 -16.742 11.005 5.518 1.00 3.96 N ATOM 0 H ARG A 79 -15.026 2.838 4.620 1.00 0.40 H new ATOM 0 HA ARG A 79 -16.831 4.935 4.174 1.00 0.45 H new ATOM 0 HB2 ARG A 79 -15.160 4.896 5.963 1.00 0.56 H new ATOM 0 HB3 ARG A 79 -13.851 4.826 4.799 1.00 0.56 H new ATOM 0 HG2 ARG A 79 -13.956 7.064 5.658 1.00 1.06 H new ATOM 0 HG3 ARG A 79 -14.491 7.108 3.990 1.00 1.06 H new ATOM 0 HD2 ARG A 79 -16.844 7.150 4.705 1.00 1.60 H new ATOM 0 HD3 ARG A 79 -16.366 6.984 6.383 1.00 1.60 H new ATOM 0 HE ARG A 79 -15.009 9.235 5.713 1.00 2.14 H new ATOM 0 HH11 ARG A 79 -18.337 8.238 5.075 1.00 3.61 H new ATOM 0 HH12 ARG A 79 -18.953 9.894 5.067 1.00 3.61 H new ATOM 0 HH21 ARG A 79 -15.802 11.356 5.703 1.00 3.96 H new ATOM 0 HH22 ARG A 79 -17.521 11.657 5.422 1.00 3.96 H new ATOM 1215 N LEU A 80 -14.585 4.543 1.828 1.00 0.40 N ATOM 1216 CA LEU A 80 -14.159 4.997 0.503 1.00 0.44 C ATOM 1217 C LEU A 80 -15.257 4.789 -0.531 1.00 0.47 C ATOM 1218 O LEU A 80 -15.201 5.336 -1.634 1.00 0.52 O ATOM 1219 CB LEU A 80 -12.898 4.258 0.055 1.00 0.48 C ATOM 1220 CG LEU A 80 -11.674 4.431 0.958 1.00 0.49 C ATOM 1221 CD1 LEU A 80 -10.487 3.680 0.380 1.00 0.55 C ATOM 1222 CD2 LEU A 80 -11.332 5.904 1.145 1.00 0.55 C ATOM 0 H LEU A 80 -14.130 3.687 2.145 1.00 0.40 H new ATOM 0 HA LEU A 80 -13.944 6.063 0.580 1.00 0.44 H new ATOM 0 HB2 LEU A 80 -13.127 3.195 -0.016 1.00 0.48 H new ATOM 0 HB3 LEU A 80 -12.638 4.596 -0.948 1.00 0.48 H new ATOM 0 HG LEU A 80 -11.912 4.016 1.937 1.00 0.49 H new ATOM 0 HD11 LEU A 80 -9.622 3.810 1.031 1.00 0.55 H new ATOM 0 HD12 LEU A 80 -10.729 2.620 0.305 1.00 0.55 H new ATOM 0 HD13 LEU A 80 -10.257 4.070 -0.611 1.00 0.55 H new ATOM 0 HD21 LEU A 80 -10.459 5.996 1.791 1.00 0.55 H new ATOM 0 HD22 LEU A 80 -11.115 6.353 0.176 1.00 0.55 H new ATOM 0 HD23 LEU A 80 -12.177 6.418 1.602 1.00 0.55 H new ATOM 1234 N MET A 81 -16.258 4.002 -0.171 1.00 0.49 N ATOM 1235 CA MET A 81 -17.349 3.692 -1.084 1.00 0.57 C ATOM 1236 C MET A 81 -18.439 4.751 -0.988 1.00 0.53 C ATOM 1237 O MET A 81 -19.432 4.704 -1.714 1.00 0.61 O ATOM 1238 CB MET A 81 -17.936 2.311 -0.778 1.00 0.67 C ATOM 1239 CG MET A 81 -16.901 1.194 -0.732 1.00 0.79 C ATOM 1240 SD MET A 81 -15.915 1.088 -2.238 1.00 1.85 S ATOM 1241 CE MET A 81 -14.724 -0.165 -1.769 1.00 2.59 C ATOM 0 H MET A 81 -16.339 3.565 0.747 1.00 0.49 H new ATOM 0 HA MET A 81 -16.950 3.684 -2.098 1.00 0.57 H new ATOM 0 HB2 MET A 81 -18.454 2.352 0.180 1.00 0.67 H new ATOM 0 HB3 MET A 81 -18.683 2.069 -1.534 1.00 0.67 H new ATOM 0 HG2 MET A 81 -16.239 1.354 0.119 1.00 0.79 H new ATOM 0 HG3 MET A 81 -17.407 0.243 -0.568 1.00 0.79 H new ATOM 0 HE1 MET A 81 -13.976 -0.269 -2.555 1.00 2.59 H new ATOM 0 HE2 MET A 81 -14.235 0.127 -0.840 1.00 2.59 H new ATOM 0 HE3 MET A 81 -15.235 -1.117 -1.626 1.00 2.59 H new ATOM 1251 N GLU A 82 -18.254 5.697 -0.078 1.00 0.47 N ATOM 1252 CA GLU A 82 -19.199 6.789 0.089 1.00 0.48 C ATOM 1253 C GLU A 82 -18.797 7.969 -0.793 1.00 0.43 C ATOM 1254 O GLU A 82 -17.693 7.980 -1.342 1.00 0.43 O ATOM 1255 CB GLU A 82 -19.260 7.225 1.558 1.00 0.56 C ATOM 1256 CG GLU A 82 -19.658 6.116 2.518 1.00 1.21 C ATOM 1257 CD GLU A 82 -19.848 6.622 3.930 1.00 1.59 C ATOM 1258 OE1 GLU A 82 -20.943 7.127 4.251 1.00 1.61 O ATOM 1259 OE2 GLU A 82 -18.899 6.520 4.730 1.00 2.34 O ATOM 0 H GLU A 82 -17.456 5.729 0.557 1.00 0.47 H new ATOM 0 HA GLU A 82 -20.188 6.443 -0.212 1.00 0.48 H new ATOM 0 HB2 GLU A 82 -18.284 7.613 1.852 1.00 0.56 H new ATOM 0 HB3 GLU A 82 -19.971 8.046 1.653 1.00 0.56 H new ATOM 0 HG2 GLU A 82 -20.583 5.653 2.172 1.00 1.21 H new ATOM 0 HG3 GLU A 82 -18.892 5.341 2.512 1.00 1.21 H new ATOM 1266 N ALA A 83 -19.679 8.953 -0.930 1.00 0.52 N ATOM 1267 CA ALA A 83 -19.400 10.119 -1.765 1.00 0.61 C ATOM 1268 C ALA A 83 -18.129 10.840 -1.307 1.00 0.55 C ATOM 1269 O ALA A 83 -17.215 11.078 -2.106 1.00 0.57 O ATOM 1270 CB ALA A 83 -20.592 11.066 -1.768 1.00 0.79 C ATOM 0 H ALA A 83 -20.592 8.968 -0.475 1.00 0.52 H new ATOM 0 HA ALA A 83 -19.231 9.773 -2.785 1.00 0.61 H new ATOM 0 HB1 ALA A 83 -20.369 11.930 -2.394 1.00 0.79 H new ATOM 0 HB2 ALA A 83 -21.467 10.549 -2.162 1.00 0.79 H new ATOM 0 HB3 ALA A 83 -20.795 11.399 -0.750 1.00 0.79 H new ATOM 1276 N ASP A 84 -18.058 11.155 -0.013 1.00 0.57 N ATOM 1277 CA ASP A 84 -16.874 11.807 0.556 1.00 0.61 C ATOM 1278 C ASP A 84 -15.716 10.826 0.667 1.00 0.49 C ATOM 1279 O ASP A 84 -14.596 11.201 1.022 1.00 0.51 O ATOM 1280 CB ASP A 84 -17.165 12.399 1.944 1.00 0.77 C ATOM 1281 CG ASP A 84 -18.058 13.622 1.893 1.00 1.17 C ATOM 1282 OD1 ASP A 84 -17.625 14.657 1.343 1.00 1.47 O ATOM 1283 OD2 ASP A 84 -19.189 13.560 2.423 1.00 1.76 O ATOM 0 H ASP A 84 -18.802 10.971 0.660 1.00 0.57 H new ATOM 0 HA ASP A 84 -16.603 12.617 -0.121 1.00 0.61 H new ATOM 0 HB2 ASP A 84 -17.637 11.638 2.566 1.00 0.77 H new ATOM 0 HB3 ASP A 84 -16.223 12.664 2.424 1.00 0.77 H new ATOM 1288 N GLY A 85 -15.987 9.573 0.340 1.00 0.43 N ATOM 1289 CA GLY A 85 -14.984 8.540 0.446 1.00 0.41 C ATOM 1290 C GLY A 85 -14.054 8.546 -0.743 1.00 0.38 C ATOM 1291 O GLY A 85 -12.838 8.629 -0.583 1.00 0.39 O ATOM 0 H GLY A 85 -16.894 9.252 -0.000 1.00 0.43 H new ATOM 0 HA2 GLY A 85 -14.408 8.683 1.360 1.00 0.41 H new ATOM 0 HA3 GLY A 85 -15.469 7.567 0.524 1.00 0.41 H new ATOM 1295 N ALA A 86 -14.625 8.455 -1.940 1.00 0.41 N ATOM 1296 CA ALA A 86 -13.850 8.575 -3.167 1.00 0.46 C ATOM 1297 C ALA A 86 -13.067 9.883 -3.195 1.00 0.45 C ATOM 1298 O ALA A 86 -11.924 9.926 -3.658 1.00 0.45 O ATOM 1299 CB ALA A 86 -14.768 8.489 -4.375 1.00 0.57 C ATOM 0 H ALA A 86 -15.622 8.298 -2.085 1.00 0.41 H new ATOM 0 HA ALA A 86 -13.137 7.752 -3.201 1.00 0.46 H new ATOM 0 HB1 ALA A 86 -14.178 8.580 -5.287 1.00 0.57 H new ATOM 0 HB2 ALA A 86 -15.285 7.530 -4.371 1.00 0.57 H new ATOM 0 HB3 ALA A 86 -15.500 9.296 -4.334 1.00 0.57 H new ATOM 1305 N ALA A 87 -13.687 10.944 -2.692 1.00 0.47 N ATOM 1306 CA ALA A 87 -13.025 12.237 -2.584 1.00 0.53 C ATOM 1307 C ALA A 87 -11.799 12.153 -1.679 1.00 0.48 C ATOM 1308 O ALA A 87 -10.765 12.763 -1.955 1.00 0.51 O ATOM 1309 CB ALA A 87 -13.998 13.277 -2.058 1.00 0.63 C ATOM 0 H ALA A 87 -14.649 10.933 -2.352 1.00 0.47 H new ATOM 0 HA ALA A 87 -12.690 12.533 -3.578 1.00 0.53 H new ATOM 0 HB1 ALA A 87 -13.494 14.240 -1.981 1.00 0.63 H new ATOM 0 HB2 ALA A 87 -14.843 13.363 -2.741 1.00 0.63 H new ATOM 0 HB3 ALA A 87 -14.357 12.975 -1.074 1.00 0.63 H new ATOM 1315 N ARG A 88 -11.906 11.365 -0.615 1.00 0.45 N ATOM 1316 CA ARG A 88 -10.819 11.224 0.342 1.00 0.48 C ATOM 1317 C ARG A 88 -9.670 10.426 -0.269 1.00 0.40 C ATOM 1318 O ARG A 88 -8.507 10.653 0.056 1.00 0.42 O ATOM 1319 CB ARG A 88 -11.318 10.547 1.623 1.00 0.56 C ATOM 1320 CG ARG A 88 -10.261 10.425 2.715 1.00 0.96 C ATOM 1321 CD ARG A 88 -9.652 11.775 3.071 1.00 1.41 C ATOM 1322 NE ARG A 88 -10.670 12.769 3.407 1.00 1.91 N ATOM 1323 CZ ARG A 88 -10.405 13.978 3.899 1.00 2.82 C ATOM 1324 NH1 ARG A 88 -9.150 14.357 4.123 1.00 3.26 N ATOM 1325 NH2 ARG A 88 -11.399 14.812 4.168 1.00 3.71 N ATOM 0 H ARG A 88 -12.736 10.814 -0.395 1.00 0.45 H new ATOM 0 HA ARG A 88 -10.452 12.218 0.596 1.00 0.48 H new ATOM 0 HB2 ARG A 88 -12.165 11.112 2.013 1.00 0.56 H new ATOM 0 HB3 ARG A 88 -11.686 9.551 1.375 1.00 0.56 H new ATOM 0 HG2 ARG A 88 -10.708 9.983 3.605 1.00 0.96 H new ATOM 0 HG3 ARG A 88 -9.474 9.748 2.384 1.00 0.96 H new ATOM 0 HD2 ARG A 88 -8.973 11.654 3.915 1.00 1.41 H new ATOM 0 HD3 ARG A 88 -9.057 12.136 2.232 1.00 1.41 H new ATOM 0 HE ARG A 88 -11.647 12.520 3.255 1.00 1.91 H new ATOM 0 HH11 ARG A 88 -8.380 13.720 3.918 1.00 3.26 H new ATOM 0 HH12 ARG A 88 -8.957 15.285 4.500 1.00 3.26 H new ATOM 0 HH21 ARG A 88 -12.364 14.527 3.998 1.00 3.71 H new ATOM 0 HH22 ARG A 88 -11.199 15.739 4.545 1.00 3.71 H new ATOM 1339 N PHE A 89 -10.003 9.503 -1.165 1.00 0.35 N ATOM 1340 CA PHE A 89 -8.993 8.693 -1.836 1.00 0.34 C ATOM 1341 C PHE A 89 -8.120 9.562 -2.736 1.00 0.33 C ATOM 1342 O PHE A 89 -6.905 9.374 -2.801 1.00 0.33 O ATOM 1343 CB PHE A 89 -9.641 7.567 -2.649 1.00 0.36 C ATOM 1344 CG PHE A 89 -8.646 6.682 -3.357 1.00 0.41 C ATOM 1345 CD1 PHE A 89 -7.758 5.895 -2.637 1.00 0.51 C ATOM 1346 CD2 PHE A 89 -8.599 6.634 -4.742 1.00 0.45 C ATOM 1347 CE1 PHE A 89 -6.847 5.085 -3.282 1.00 0.58 C ATOM 1348 CE2 PHE A 89 -7.689 5.824 -5.391 1.00 0.54 C ATOM 1349 CZ PHE A 89 -6.810 5.052 -4.663 1.00 0.58 C ATOM 0 H PHE A 89 -10.963 9.297 -1.443 1.00 0.35 H new ATOM 0 HA PHE A 89 -8.363 8.240 -1.070 1.00 0.34 H new ATOM 0 HB2 PHE A 89 -10.250 6.955 -1.984 1.00 0.36 H new ATOM 0 HB3 PHE A 89 -10.315 8.004 -3.386 1.00 0.36 H new ATOM 0 HD1 PHE A 89 -7.781 5.917 -1.557 1.00 0.51 H new ATOM 0 HD2 PHE A 89 -9.283 7.238 -5.320 1.00 0.45 H new ATOM 0 HE1 PHE A 89 -6.163 4.477 -2.708 1.00 0.58 H new ATOM 0 HE2 PHE A 89 -7.666 5.795 -6.470 1.00 0.54 H new ATOM 0 HZ PHE A 89 -6.094 4.423 -5.170 1.00 0.58 H new ATOM 1359 N GLU A 90 -8.735 10.528 -3.412 1.00 0.35 N ATOM 1360 CA GLU A 90 -7.988 11.452 -4.257 1.00 0.39 C ATOM 1361 C GLU A 90 -7.031 12.272 -3.394 1.00 0.38 C ATOM 1362 O GLU A 90 -5.866 12.475 -3.744 1.00 0.41 O ATOM 1363 CB GLU A 90 -8.936 12.383 -5.020 1.00 0.47 C ATOM 1364 CG GLU A 90 -9.866 11.666 -5.991 1.00 0.70 C ATOM 1365 CD GLU A 90 -9.119 10.868 -7.041 1.00 1.37 C ATOM 1366 OE1 GLU A 90 -8.451 11.484 -7.901 1.00 1.67 O ATOM 1367 OE2 GLU A 90 -9.170 9.620 -6.991 1.00 2.10 O ATOM 0 H GLU A 90 -9.742 10.690 -3.391 1.00 0.35 H new ATOM 0 HA GLU A 90 -7.419 10.876 -4.986 1.00 0.39 H new ATOM 0 HB2 GLU A 90 -9.538 12.939 -4.301 1.00 0.47 H new ATOM 0 HB3 GLU A 90 -8.344 13.113 -5.573 1.00 0.47 H new ATOM 0 HG2 GLU A 90 -10.522 10.998 -5.432 1.00 0.70 H new ATOM 0 HG3 GLU A 90 -10.504 12.399 -6.485 1.00 0.70 H new ATOM 1374 N ARG A 91 -7.538 12.712 -2.251 1.00 0.39 N ATOM 1375 CA ARG A 91 -6.744 13.444 -1.272 1.00 0.44 C ATOM 1376 C ARG A 91 -5.589 12.585 -0.751 1.00 0.37 C ATOM 1377 O ARG A 91 -4.504 13.090 -0.461 1.00 0.38 O ATOM 1378 CB ARG A 91 -7.654 13.884 -0.118 1.00 0.53 C ATOM 1379 CG ARG A 91 -6.925 14.385 1.116 1.00 0.73 C ATOM 1380 CD ARG A 91 -6.117 15.645 0.847 1.00 1.31 C ATOM 1381 NE ARG A 91 -5.458 16.112 2.061 1.00 2.11 N ATOM 1382 CZ ARG A 91 -4.584 17.114 2.111 1.00 3.10 C ATOM 1383 NH1 ARG A 91 -4.237 17.759 1.003 1.00 3.51 N ATOM 1384 NH2 ARG A 91 -4.055 17.464 3.279 1.00 4.06 N ATOM 0 H ARG A 91 -8.510 12.572 -1.976 1.00 0.39 H new ATOM 0 HA ARG A 91 -6.310 14.323 -1.749 1.00 0.44 H new ATOM 0 HB2 ARG A 91 -8.315 14.673 -0.477 1.00 0.53 H new ATOM 0 HB3 ARG A 91 -8.286 13.043 0.168 1.00 0.53 H new ATOM 0 HG2 ARG A 91 -7.650 14.584 1.906 1.00 0.73 H new ATOM 0 HG3 ARG A 91 -6.260 13.603 1.483 1.00 0.73 H new ATOM 0 HD2 ARG A 91 -5.371 15.446 0.078 1.00 1.31 H new ATOM 0 HD3 ARG A 91 -6.772 16.426 0.461 1.00 1.31 H new ATOM 0 HE ARG A 91 -5.683 15.636 2.935 1.00 2.11 H new ATOM 0 HH11 ARG A 91 -4.641 17.487 0.107 1.00 3.51 H new ATOM 0 HH12 ARG A 91 -3.566 18.526 1.048 1.00 3.51 H new ATOM 0 HH21 ARG A 91 -4.320 16.966 4.129 1.00 4.06 H new ATOM 0 HH22 ARG A 91 -3.384 18.231 3.326 1.00 4.06 H new ATOM 1398 N TYR A 92 -5.818 11.280 -0.669 1.00 0.33 N ATOM 1399 CA TYR A 92 -4.818 10.356 -0.152 1.00 0.32 C ATOM 1400 C TYR A 92 -3.683 10.184 -1.158 1.00 0.30 C ATOM 1401 O TYR A 92 -2.528 9.992 -0.780 1.00 0.32 O ATOM 1402 CB TYR A 92 -5.469 9.001 0.158 1.00 0.34 C ATOM 1403 CG TYR A 92 -4.562 8.019 0.870 1.00 0.38 C ATOM 1404 CD1 TYR A 92 -4.235 8.191 2.210 1.00 0.47 C ATOM 1405 CD2 TYR A 92 -4.027 6.925 0.201 1.00 0.41 C ATOM 1406 CE1 TYR A 92 -3.400 7.303 2.862 1.00 0.56 C ATOM 1407 CE2 TYR A 92 -3.194 6.031 0.848 1.00 0.48 C ATOM 1408 CZ TYR A 92 -2.910 6.204 2.181 1.00 0.55 C ATOM 1409 OH TYR A 92 -2.049 5.339 2.821 1.00 0.64 O ATOM 0 H TYR A 92 -6.691 10.837 -0.955 1.00 0.33 H new ATOM 0 HA TYR A 92 -4.402 10.765 0.769 1.00 0.32 H new ATOM 0 HB2 TYR A 92 -6.355 9.169 0.771 1.00 0.34 H new ATOM 0 HB3 TYR A 92 -5.808 8.552 -0.776 1.00 0.34 H new ATOM 0 HD1 TYR A 92 -4.640 9.033 2.751 1.00 0.47 H new ATOM 0 HD2 TYR A 92 -4.266 6.771 -0.841 1.00 0.41 H new ATOM 0 HE1 TYR A 92 -3.132 7.466 3.895 1.00 0.56 H new ATOM 0 HE2 TYR A 92 -2.768 5.199 0.307 1.00 0.48 H new ATOM 0 HH TYR A 92 -1.795 4.617 2.209 1.00 0.64 H new ATOM 1419 N LEU A 93 -4.021 10.272 -2.441 1.00 0.31 N ATOM 1420 CA LEU A 93 -3.033 10.158 -3.508 1.00 0.34 C ATOM 1421 C LEU A 93 -2.026 11.301 -3.433 1.00 0.35 C ATOM 1422 O LEU A 93 -0.829 11.114 -3.659 1.00 0.38 O ATOM 1423 CB LEU A 93 -3.715 10.161 -4.880 1.00 0.39 C ATOM 1424 CG LEU A 93 -4.714 9.025 -5.124 1.00 0.41 C ATOM 1425 CD1 LEU A 93 -5.428 9.221 -6.453 1.00 0.48 C ATOM 1426 CD2 LEU A 93 -4.015 7.672 -5.095 1.00 0.44 C ATOM 0 H LEU A 93 -4.976 10.422 -2.767 1.00 0.31 H new ATOM 0 HA LEU A 93 -2.506 9.213 -3.377 1.00 0.34 H new ATOM 0 HB2 LEU A 93 -4.234 11.111 -5.006 1.00 0.39 H new ATOM 0 HB3 LEU A 93 -2.944 10.115 -5.649 1.00 0.39 H new ATOM 0 HG LEU A 93 -5.453 9.046 -4.323 1.00 0.41 H new ATOM 0 HD11 LEU A 93 -6.134 8.405 -6.611 1.00 0.48 H new ATOM 0 HD12 LEU A 93 -5.966 10.169 -6.441 1.00 0.48 H new ATOM 0 HD13 LEU A 93 -4.697 9.229 -7.261 1.00 0.48 H new ATOM 0 HD21 LEU A 93 -4.745 6.882 -5.271 1.00 0.44 H new ATOM 0 HD22 LEU A 93 -3.251 7.640 -5.872 1.00 0.44 H new ATOM 0 HD23 LEU A 93 -3.548 7.525 -4.121 1.00 0.44 H new ATOM 1438 N ALA A 94 -2.520 12.487 -3.111 1.00 0.36 N ATOM 1439 CA ALA A 94 -1.667 13.659 -2.989 1.00 0.39 C ATOM 1440 C ALA A 94 -0.779 13.573 -1.752 1.00 0.37 C ATOM 1441 O ALA A 94 0.295 14.173 -1.706 1.00 0.44 O ATOM 1442 CB ALA A 94 -2.512 14.923 -2.945 1.00 0.43 C ATOM 0 H ALA A 94 -3.508 12.663 -2.929 1.00 0.36 H new ATOM 0 HA ALA A 94 -1.019 13.695 -3.865 1.00 0.39 H new ATOM 0 HB1 ALA A 94 -1.861 15.793 -2.854 1.00 0.43 H new ATOM 0 HB2 ALA A 94 -3.097 15.002 -3.862 1.00 0.43 H new ATOM 0 HB3 ALA A 94 -3.185 14.881 -2.088 1.00 0.43 H new ATOM 1448 N ALA A 95 -1.223 12.812 -0.761 1.00 0.33 N ATOM 1449 CA ALA A 95 -0.504 12.708 0.499 1.00 0.35 C ATOM 1450 C ALA A 95 0.430 11.504 0.518 1.00 0.33 C ATOM 1451 O ALA A 95 1.173 11.313 1.479 1.00 0.33 O ATOM 1452 CB ALA A 95 -1.486 12.627 1.655 1.00 0.40 C ATOM 0 H ALA A 95 -2.078 12.258 -0.806 1.00 0.33 H new ATOM 0 HA ALA A 95 0.108 13.603 0.607 1.00 0.35 H new ATOM 0 HB1 ALA A 95 -0.937 12.549 2.594 1.00 0.40 H new ATOM 0 HB2 ALA A 95 -2.105 13.524 1.670 1.00 0.40 H new ATOM 0 HB3 ALA A 95 -2.121 11.750 1.532 1.00 0.40 H new ATOM 1458 N LEU A 96 0.392 10.705 -0.545 1.00 0.35 N ATOM 1459 CA LEU A 96 1.224 9.502 -0.644 1.00 0.36 C ATOM 1460 C LEU A 96 2.703 9.771 -0.328 1.00 0.35 C ATOM 1461 O LEU A 96 3.268 9.095 0.527 1.00 0.34 O ATOM 1462 CB LEU A 96 1.090 8.847 -2.025 1.00 0.44 C ATOM 1463 CG LEU A 96 -0.224 8.107 -2.276 1.00 0.49 C ATOM 1464 CD1 LEU A 96 -0.321 7.684 -3.733 1.00 0.56 C ATOM 1465 CD2 LEU A 96 -0.341 6.890 -1.368 1.00 0.49 C ATOM 0 H LEU A 96 -0.207 10.867 -1.354 1.00 0.35 H new ATOM 0 HA LEU A 96 0.851 8.814 0.115 1.00 0.36 H new ATOM 0 HB2 LEU A 96 1.204 9.618 -2.787 1.00 0.44 H new ATOM 0 HB3 LEU A 96 1.913 8.145 -2.157 1.00 0.44 H new ATOM 0 HG LEU A 96 -1.046 8.786 -2.050 1.00 0.49 H new ATOM 0 HD11 LEU A 96 -1.262 7.158 -3.897 1.00 0.56 H new ATOM 0 HD12 LEU A 96 -0.282 8.567 -4.371 1.00 0.56 H new ATOM 0 HD13 LEU A 96 0.511 7.023 -3.976 1.00 0.56 H new ATOM 0 HD21 LEU A 96 -1.284 6.379 -1.564 1.00 0.49 H new ATOM 0 HD22 LEU A 96 0.488 6.210 -1.563 1.00 0.49 H new ATOM 0 HD23 LEU A 96 -0.311 7.209 -0.326 1.00 0.49 H new ATOM 1477 N PRO A 97 3.357 10.760 -0.981 1.00 0.37 N ATOM 1478 CA PRO A 97 4.778 11.059 -0.730 1.00 0.39 C ATOM 1479 C PRO A 97 5.051 11.378 0.737 1.00 0.35 C ATOM 1480 O PRO A 97 6.092 11.016 1.286 1.00 0.36 O ATOM 1481 CB PRO A 97 5.052 12.292 -1.603 1.00 0.46 C ATOM 1482 CG PRO A 97 3.705 12.853 -1.906 1.00 0.46 C ATOM 1483 CD PRO A 97 2.796 11.666 -1.998 1.00 0.42 C ATOM 0 HA PRO A 97 5.417 10.207 -0.964 1.00 0.39 H new ATOM 0 HB2 PRO A 97 5.673 13.018 -1.078 1.00 0.46 H new ATOM 0 HB3 PRO A 97 5.581 12.020 -2.516 1.00 0.46 H new ATOM 0 HG2 PRO A 97 3.379 13.539 -1.124 1.00 0.46 H new ATOM 0 HG3 PRO A 97 3.714 13.415 -2.840 1.00 0.46 H new ATOM 0 HD2 PRO A 97 1.761 11.929 -1.781 1.00 0.42 H new ATOM 0 HD3 PRO A 97 2.810 11.219 -2.992 1.00 0.42 H new ATOM 1491 N ARG A 98 4.086 12.023 1.373 1.00 0.34 N ATOM 1492 CA ARG A 98 4.235 12.458 2.751 1.00 0.35 C ATOM 1493 C ARG A 98 4.049 11.284 3.709 1.00 0.31 C ATOM 1494 O ARG A 98 4.696 11.217 4.757 1.00 0.33 O ATOM 1495 CB ARG A 98 3.242 13.587 3.043 1.00 0.44 C ATOM 1496 CG ARG A 98 3.307 14.124 4.461 1.00 1.33 C ATOM 1497 CD ARG A 98 2.693 15.512 4.558 1.00 1.71 C ATOM 1498 NE ARG A 98 1.371 15.591 3.932 1.00 2.37 N ATOM 1499 CZ ARG A 98 0.276 16.039 4.551 1.00 3.24 C ATOM 1500 NH1 ARG A 98 0.323 16.388 5.831 1.00 3.56 N ATOM 1501 NH2 ARG A 98 -0.869 16.139 3.893 1.00 4.22 N ATOM 0 H ARG A 98 3.186 12.258 0.953 1.00 0.34 H new ATOM 0 HA ARG A 98 5.244 12.841 2.902 1.00 0.35 H new ATOM 0 HB2 ARG A 98 3.426 14.406 2.348 1.00 0.44 H new ATOM 0 HB3 ARG A 98 2.232 13.226 2.850 1.00 0.44 H new ATOM 0 HG2 ARG A 98 2.783 13.445 5.133 1.00 1.33 H new ATOM 0 HG3 ARG A 98 4.345 14.160 4.791 1.00 1.33 H new ATOM 0 HD2 ARG A 98 2.611 15.796 5.607 1.00 1.71 H new ATOM 0 HD3 ARG A 98 3.359 16.233 4.084 1.00 1.71 H new ATOM 0 HE ARG A 98 1.281 15.285 2.963 1.00 2.37 H new ATOM 0 HH11 ARG A 98 1.199 16.315 6.348 1.00 3.56 H new ATOM 0 HH12 ARG A 98 -0.517 16.729 6.298 1.00 3.56 H new ATOM 0 HH21 ARG A 98 -0.917 15.873 2.909 1.00 4.22 H new ATOM 0 HH22 ARG A 98 -1.703 16.482 4.370 1.00 4.22 H new ATOM 1515 N LYS A 99 3.181 10.351 3.333 1.00 0.31 N ATOM 1516 CA LYS A 99 2.970 9.139 4.115 1.00 0.36 C ATOM 1517 C LYS A 99 4.201 8.245 4.038 1.00 0.32 C ATOM 1518 O LYS A 99 4.685 7.749 5.054 1.00 0.32 O ATOM 1519 CB LYS A 99 1.747 8.373 3.601 1.00 0.47 C ATOM 1520 CG LYS A 99 0.434 9.139 3.707 1.00 0.86 C ATOM 1521 CD LYS A 99 0.075 9.456 5.150 1.00 1.14 C ATOM 1522 CE LYS A 99 -1.287 10.127 5.250 1.00 1.52 C ATOM 1523 NZ LYS A 99 -1.632 10.484 6.653 1.00 1.44 N ATOM 0 H LYS A 99 2.611 10.412 2.489 1.00 0.31 H new ATOM 0 HA LYS A 99 2.796 9.426 5.152 1.00 0.36 H new ATOM 0 HB2 LYS A 99 1.914 8.105 2.558 1.00 0.47 H new ATOM 0 HB3 LYS A 99 1.656 7.441 4.159 1.00 0.47 H new ATOM 0 HG2 LYS A 99 0.509 10.067 3.140 1.00 0.86 H new ATOM 0 HG3 LYS A 99 -0.366 8.552 3.255 1.00 0.86 H new ATOM 0 HD2 LYS A 99 0.073 8.537 5.736 1.00 1.14 H new ATOM 0 HD3 LYS A 99 0.835 10.107 5.581 1.00 1.14 H new ATOM 0 HE2 LYS A 99 -1.294 11.027 4.635 1.00 1.52 H new ATOM 0 HE3 LYS A 99 -2.050 9.460 4.848 1.00 1.52 H new ATOM 0 HZ1 LYS A 99 -2.665 10.467 6.772 1.00 1.44 H new ATOM 0 HZ2 LYS A 99 -1.198 9.798 7.303 1.00 1.44 H new ATOM 0 HZ3 LYS A 99 -1.275 11.437 6.867 1.00 1.44 H new ATOM 1537 N LEU A 100 4.706 8.062 2.821 1.00 0.33 N ATOM 1538 CA LEU A 100 5.897 7.252 2.585 1.00 0.35 C ATOM 1539 C LEU A 100 7.076 7.777 3.396 1.00 0.34 C ATOM 1540 O LEU A 100 7.807 7.004 4.013 1.00 0.35 O ATOM 1541 CB LEU A 100 6.257 7.234 1.090 1.00 0.42 C ATOM 1542 CG LEU A 100 5.588 6.142 0.232 1.00 0.82 C ATOM 1543 CD1 LEU A 100 6.134 4.769 0.578 1.00 0.62 C ATOM 1544 CD2 LEU A 100 4.076 6.158 0.386 1.00 1.58 C ATOM 0 H LEU A 100 4.304 8.468 1.976 1.00 0.33 H new ATOM 0 HA LEU A 100 5.677 6.233 2.904 1.00 0.35 H new ATOM 0 HB2 LEU A 100 6.001 8.205 0.666 1.00 0.42 H new ATOM 0 HB3 LEU A 100 7.338 7.123 1.001 1.00 0.42 H new ATOM 0 HG LEU A 100 5.824 6.360 -0.809 1.00 0.82 H new ATOM 0 HD11 LEU A 100 5.646 4.017 -0.041 1.00 0.62 H new ATOM 0 HD12 LEU A 100 7.208 4.748 0.395 1.00 0.62 H new ATOM 0 HD13 LEU A 100 5.941 4.555 1.629 1.00 0.62 H new ATOM 0 HD21 LEU A 100 3.639 5.375 -0.233 1.00 1.58 H new ATOM 0 HD22 LEU A 100 3.815 5.983 1.430 1.00 1.58 H new ATOM 0 HD23 LEU A 100 3.689 7.127 0.072 1.00 1.58 H new ATOM 1556 N ALA A 101 7.241 9.096 3.402 1.00 0.33 N ATOM 1557 CA ALA A 101 8.324 9.731 4.144 1.00 0.36 C ATOM 1558 C ALA A 101 8.175 9.497 5.646 1.00 0.33 C ATOM 1559 O ALA A 101 9.161 9.283 6.356 1.00 0.35 O ATOM 1560 CB ALA A 101 8.357 11.220 3.842 1.00 0.41 C ATOM 0 H ALA A 101 6.637 9.747 2.900 1.00 0.33 H new ATOM 0 HA ALA A 101 9.265 9.281 3.827 1.00 0.36 H new ATOM 0 HB1 ALA A 101 9.169 11.687 4.400 1.00 0.41 H new ATOM 0 HB2 ALA A 101 8.517 11.371 2.774 1.00 0.41 H new ATOM 0 HB3 ALA A 101 7.409 11.672 4.134 1.00 0.41 H new ATOM 1566 N ALA A 102 6.936 9.528 6.123 1.00 0.32 N ATOM 1567 CA ALA A 102 6.657 9.335 7.538 1.00 0.33 C ATOM 1568 C ALA A 102 7.020 7.922 7.980 1.00 0.32 C ATOM 1569 O ALA A 102 7.596 7.723 9.051 1.00 0.35 O ATOM 1570 CB ALA A 102 5.192 9.627 7.830 1.00 0.35 C ATOM 0 H ALA A 102 6.108 9.685 5.548 1.00 0.32 H new ATOM 0 HA ALA A 102 7.273 10.032 8.106 1.00 0.33 H new ATOM 0 HB1 ALA A 102 4.996 9.479 8.892 1.00 0.35 H new ATOM 0 HB2 ALA A 102 4.966 10.658 7.560 1.00 0.35 H new ATOM 0 HB3 ALA A 102 4.564 8.953 7.248 1.00 0.35 H new ATOM 1576 N TRP A 103 6.702 6.944 7.139 1.00 0.30 N ATOM 1577 CA TRP A 103 6.995 5.549 7.447 1.00 0.32 C ATOM 1578 C TRP A 103 8.497 5.297 7.460 1.00 0.32 C ATOM 1579 O TRP A 103 8.976 4.434 8.194 1.00 0.34 O ATOM 1580 CB TRP A 103 6.303 4.610 6.451 1.00 0.33 C ATOM 1581 CG TRP A 103 4.807 4.646 6.548 1.00 0.34 C ATOM 1582 CD1 TRP A 103 4.060 4.763 7.685 1.00 0.36 C ATOM 1583 CD2 TRP A 103 3.873 4.551 5.467 1.00 0.35 C ATOM 1584 NE1 TRP A 103 2.724 4.762 7.375 1.00 0.40 N ATOM 1585 CE2 TRP A 103 2.583 4.633 6.021 1.00 0.39 C ATOM 1586 CE3 TRP A 103 4.004 4.410 4.085 1.00 0.37 C ATOM 1587 CZ2 TRP A 103 1.433 4.580 5.239 1.00 0.43 C ATOM 1588 CZ3 TRP A 103 2.862 4.355 3.311 1.00 0.41 C ATOM 1589 CH2 TRP A 103 1.591 4.442 3.889 1.00 0.44 C ATOM 0 H TRP A 103 6.242 7.091 6.240 1.00 0.30 H new ATOM 0 HA TRP A 103 6.604 5.340 8.443 1.00 0.32 H new ATOM 0 HB2 TRP A 103 6.602 4.881 5.438 1.00 0.33 H new ATOM 0 HB3 TRP A 103 6.648 3.590 6.623 1.00 0.33 H new ATOM 0 HD1 TRP A 103 4.463 4.845 8.684 1.00 0.36 H new ATOM 0 HE1 TRP A 103 1.960 4.844 8.045 1.00 0.40 H new ATOM 0 HE3 TRP A 103 4.981 4.345 3.629 1.00 0.37 H new ATOM 0 HZ2 TRP A 103 0.451 4.646 5.683 1.00 0.43 H new ATOM 0 HZ3 TRP A 103 2.951 4.243 2.241 1.00 0.41 H new ATOM 0 HH2 TRP A 103 0.717 4.399 3.255 1.00 0.44 H new ATOM 1600 N GLU A 104 9.237 6.055 6.660 1.00 0.34 N ATOM 1601 CA GLU A 104 10.690 5.947 6.650 1.00 0.38 C ATOM 1602 C GLU A 104 11.255 6.273 8.024 1.00 0.39 C ATOM 1603 O GLU A 104 12.026 5.498 8.595 1.00 0.41 O ATOM 1604 CB GLU A 104 11.307 6.883 5.607 1.00 0.42 C ATOM 1605 CG GLU A 104 10.872 6.575 4.188 1.00 0.45 C ATOM 1606 CD GLU A 104 11.688 7.315 3.151 1.00 0.51 C ATOM 1607 OE1 GLU A 104 11.371 8.489 2.868 1.00 0.62 O ATOM 1608 OE2 GLU A 104 12.643 6.723 2.600 1.00 0.52 O ATOM 0 H GLU A 104 8.858 6.747 6.014 1.00 0.34 H new ATOM 0 HA GLU A 104 10.944 4.920 6.388 1.00 0.38 H new ATOM 0 HB2 GLU A 104 11.036 7.911 5.847 1.00 0.42 H new ATOM 0 HB3 GLU A 104 12.393 6.817 5.668 1.00 0.42 H new ATOM 0 HG2 GLU A 104 10.956 5.503 4.012 1.00 0.45 H new ATOM 0 HG3 GLU A 104 9.820 6.836 4.070 1.00 0.45 H new ATOM 1615 N ASN A 105 10.828 7.404 8.562 1.00 0.41 N ATOM 1616 CA ASN A 105 11.331 7.885 9.839 1.00 0.47 C ATOM 1617 C ASN A 105 10.828 7.024 10.994 1.00 0.46 C ATOM 1618 O ASN A 105 11.586 6.684 11.900 1.00 0.50 O ATOM 1619 CB ASN A 105 10.903 9.340 10.055 1.00 0.53 C ATOM 1620 CG ASN A 105 11.459 9.946 11.336 1.00 1.24 C ATOM 1621 OD1 ASN A 105 12.688 9.592 11.693 1.00 2.01 O flip ATOM 1622 ND2 ASN A 105 10.792 10.748 11.989 1.00 1.70 N flip ATOM 0 H ASN A 105 10.130 8.010 8.131 1.00 0.41 H new ATOM 0 HA ASN A 105 12.419 7.823 9.816 1.00 0.47 H new ATOM 0 HB2 ASN A 105 11.232 9.938 9.205 1.00 0.53 H new ATOM 0 HB3 ASN A 105 9.814 9.392 10.079 1.00 0.53 H new ATOM 0 HD21 ASN A 105 9.851 10.996 11.684 1.00 1.70 H new ATOM 0 HD22 ASN A 105 11.180 11.164 12.835 1.00 1.70 H new ATOM 1629 N ALA A 106 9.555 6.659 10.950 1.00 0.45 N ATOM 1630 CA ALA A 106 8.923 5.981 12.074 1.00 0.48 C ATOM 1631 C ALA A 106 9.196 4.477 12.098 1.00 0.50 C ATOM 1632 O ALA A 106 9.072 3.845 13.146 1.00 0.66 O ATOM 1633 CB ALA A 106 7.423 6.238 12.066 1.00 0.52 C ATOM 0 H ALA A 106 8.941 6.820 10.152 1.00 0.45 H new ATOM 0 HA ALA A 106 9.367 6.397 12.979 1.00 0.48 H new ATOM 0 HB1 ALA A 106 6.962 5.726 12.911 1.00 0.52 H new ATOM 0 HB2 ALA A 106 7.237 7.309 12.145 1.00 0.52 H new ATOM 0 HB3 ALA A 106 6.995 5.863 11.137 1.00 0.52 H new ATOM 1639 N ARG A 107 9.543 3.885 10.963 1.00 0.43 N ATOM 1640 CA ARG A 107 9.722 2.437 10.921 1.00 0.47 C ATOM 1641 C ARG A 107 11.147 2.025 10.559 1.00 0.48 C ATOM 1642 O ARG A 107 11.431 0.837 10.416 1.00 0.56 O ATOM 1643 CB ARG A 107 8.736 1.808 9.931 1.00 0.51 C ATOM 1644 CG ARG A 107 7.270 2.068 10.261 1.00 0.59 C ATOM 1645 CD ARG A 107 6.861 1.448 11.595 1.00 0.72 C ATOM 1646 NE ARG A 107 7.090 0.004 11.618 1.00 0.81 N ATOM 1647 CZ ARG A 107 6.254 -0.881 12.159 1.00 1.10 C ATOM 1648 NH1 ARG A 107 5.140 -0.478 12.758 1.00 1.35 N ATOM 1649 NH2 ARG A 107 6.544 -2.173 12.117 1.00 1.26 N ATOM 0 H ARG A 107 9.703 4.368 10.079 1.00 0.43 H new ATOM 0 HA ARG A 107 9.525 2.070 11.928 1.00 0.47 H new ATOM 0 HB2 ARG A 107 8.946 2.192 8.933 1.00 0.51 H new ATOM 0 HB3 ARG A 107 8.905 0.732 9.901 1.00 0.51 H new ATOM 0 HG2 ARG A 107 7.091 3.143 10.292 1.00 0.59 H new ATOM 0 HG3 ARG A 107 6.643 1.663 9.467 1.00 0.59 H new ATOM 0 HD2 ARG A 107 7.424 1.918 12.401 1.00 0.72 H new ATOM 0 HD3 ARG A 107 5.807 1.651 11.782 1.00 0.72 H new ATOM 0 HE ARG A 107 7.947 -0.349 11.192 1.00 0.81 H new ATOM 0 HH11 ARG A 107 4.918 0.516 12.807 1.00 1.35 H new ATOM 0 HH12 ARG A 107 4.506 -1.163 13.169 1.00 1.35 H new ATOM 0 HH21 ARG A 107 7.406 -2.488 11.671 1.00 1.26 H new ATOM 0 HH22 ARG A 107 5.906 -2.853 12.530 1.00 1.26 H new ATOM 1663 N GLY A 108 12.041 2.998 10.416 1.00 0.45 N ATOM 1664 CA GLY A 108 13.418 2.682 10.068 1.00 0.49 C ATOM 1665 C GLY A 108 13.521 2.074 8.683 1.00 0.46 C ATOM 1666 O GLY A 108 14.209 1.073 8.477 1.00 0.50 O ATOM 0 H GLY A 108 11.842 3.991 10.533 1.00 0.45 H new ATOM 0 HA2 GLY A 108 14.022 3.588 10.113 1.00 0.49 H new ATOM 0 HA3 GLY A 108 13.829 1.988 10.801 1.00 0.49 H new ATOM 1670 N VAL A 109 12.854 2.703 7.732 1.00 0.42 N ATOM 1671 CA VAL A 109 12.761 2.182 6.377 1.00 0.41 C ATOM 1672 C VAL A 109 13.275 3.228 5.397 1.00 0.43 C ATOM 1673 O VAL A 109 13.127 4.422 5.637 1.00 0.46 O ATOM 1674 CB VAL A 109 11.300 1.795 6.020 1.00 0.39 C ATOM 1675 CG1 VAL A 109 11.177 1.357 4.567 1.00 0.42 C ATOM 1676 CG2 VAL A 109 10.789 0.692 6.938 1.00 0.43 C ATOM 0 H VAL A 109 12.363 3.586 7.875 1.00 0.42 H new ATOM 0 HA VAL A 109 13.371 1.281 6.311 1.00 0.41 H new ATOM 0 HB VAL A 109 10.688 2.685 6.162 1.00 0.39 H new ATOM 0 HG11 VAL A 109 10.141 1.094 4.353 1.00 0.42 H new ATOM 0 HG12 VAL A 109 11.487 2.173 3.914 1.00 0.42 H new ATOM 0 HG13 VAL A 109 11.815 0.491 4.393 1.00 0.42 H new ATOM 0 HG21 VAL A 109 9.764 0.439 6.667 1.00 0.43 H new ATOM 0 HG22 VAL A 109 11.420 -0.190 6.833 1.00 0.43 H new ATOM 0 HG23 VAL A 109 10.817 1.037 7.972 1.00 0.43 H new ATOM 1686 N ASP A 110 13.908 2.791 4.320 1.00 0.44 N ATOM 1687 CA ASP A 110 14.381 3.720 3.305 1.00 0.49 C ATOM 1688 C ASP A 110 13.952 3.244 1.925 1.00 0.54 C ATOM 1689 O ASP A 110 14.431 2.219 1.436 1.00 0.57 O ATOM 1690 CB ASP A 110 15.903 3.861 3.360 1.00 0.53 C ATOM 1691 CG ASP A 110 16.384 5.078 2.601 1.00 0.62 C ATOM 1692 OD1 ASP A 110 16.402 5.046 1.356 1.00 0.79 O ATOM 1693 OD2 ASP A 110 16.742 6.081 3.253 1.00 0.84 O ATOM 0 H ASP A 110 14.105 1.809 4.126 1.00 0.44 H new ATOM 0 HA ASP A 110 13.940 4.697 3.502 1.00 0.49 H new ATOM 0 HB2 ASP A 110 16.224 3.931 4.399 1.00 0.53 H new ATOM 0 HB3 ASP A 110 16.366 2.967 2.943 1.00 0.53 H new ATOM 1698 N PHE A 111 13.046 3.985 1.301 1.00 0.60 N ATOM 1699 CA PHE A 111 12.507 3.593 0.002 1.00 0.68 C ATOM 1700 C PHE A 111 13.431 4.017 -1.136 1.00 0.77 C ATOM 1701 O PHE A 111 13.245 3.606 -2.284 1.00 0.90 O ATOM 1702 CB PHE A 111 11.111 4.190 -0.200 1.00 0.73 C ATOM 1703 CG PHE A 111 10.084 3.639 0.751 1.00 0.66 C ATOM 1704 CD1 PHE A 111 9.353 2.512 0.424 1.00 0.72 C ATOM 1705 CD2 PHE A 111 9.844 4.258 1.965 1.00 0.62 C ATOM 1706 CE1 PHE A 111 8.401 2.010 1.289 1.00 0.71 C ATOM 1707 CE2 PHE A 111 8.895 3.761 2.837 1.00 0.61 C ATOM 1708 CZ PHE A 111 8.202 2.610 2.516 1.00 0.62 C ATOM 0 H PHE A 111 12.669 4.858 1.670 1.00 0.60 H new ATOM 0 HA PHE A 111 12.433 2.506 -0.012 1.00 0.68 H new ATOM 0 HB2 PHE A 111 11.165 5.272 -0.078 1.00 0.73 H new ATOM 0 HB3 PHE A 111 10.787 4.000 -1.223 1.00 0.73 H new ATOM 0 HD1 PHE A 111 9.529 2.018 -0.520 1.00 0.72 H new ATOM 0 HD2 PHE A 111 10.405 5.140 2.234 1.00 0.62 H new ATOM 0 HE1 PHE A 111 7.813 1.149 1.006 1.00 0.71 H new ATOM 0 HE2 PHE A 111 8.695 4.271 3.768 1.00 0.61 H new ATOM 0 HZ PHE A 111 7.507 2.181 3.223 1.00 0.62 H new ATOM 1718 N GLY A 112 14.426 4.832 -0.816 1.00 0.76 N ATOM 1719 CA GLY A 112 15.390 5.247 -1.815 1.00 0.84 C ATOM 1720 C GLY A 112 16.444 4.185 -2.038 1.00 0.79 C ATOM 1721 O GLY A 112 16.670 3.744 -3.167 1.00 0.89 O ATOM 0 H GLY A 112 14.583 5.213 0.117 1.00 0.76 H new ATOM 0 HA2 GLY A 112 14.877 5.456 -2.754 1.00 0.84 H new ATOM 0 HA3 GLY A 112 15.867 6.175 -1.499 1.00 0.84 H new ATOM 1725 N SER A 113 17.072 3.758 -0.954 1.00 0.71 N ATOM 1726 CA SER A 113 18.081 2.713 -1.011 1.00 0.70 C ATOM 1727 C SER A 113 17.412 1.343 -1.104 1.00 0.68 C ATOM 1728 O SER A 113 18.046 0.342 -1.457 1.00 0.72 O ATOM 1729 CB SER A 113 18.991 2.786 0.219 1.00 0.71 C ATOM 1730 OG SER A 113 20.105 1.917 0.089 1.00 1.38 O ATOM 0 H SER A 113 16.899 4.123 -0.017 1.00 0.71 H new ATOM 0 HA SER A 113 18.693 2.861 -1.900 1.00 0.70 H new ATOM 0 HB2 SER A 113 19.340 3.810 0.356 1.00 0.71 H new ATOM 0 HB3 SER A 113 18.423 2.521 1.111 1.00 0.71 H new ATOM 0 HG SER A 113 20.669 1.986 0.888 1.00 1.38 H new ATOM 1736 N ARG A 114 16.112 1.326 -0.785 1.00 0.68 N ATOM 1737 CA ARG A 114 15.274 0.139 -0.928 1.00 0.75 C ATOM 1738 C ARG A 114 15.697 -0.965 0.034 1.00 0.68 C ATOM 1739 O ARG A 114 15.641 -2.154 -0.290 1.00 0.72 O ATOM 1740 CB ARG A 114 15.290 -0.349 -2.375 1.00 0.91 C ATOM 1741 CG ARG A 114 14.535 0.573 -3.318 1.00 1.10 C ATOM 1742 CD ARG A 114 14.780 0.213 -4.770 1.00 1.31 C ATOM 1743 NE ARG A 114 16.172 0.432 -5.155 1.00 1.48 N ATOM 1744 CZ ARG A 114 16.727 -0.055 -6.261 1.00 1.92 C ATOM 1745 NH1 ARG A 114 16.000 -0.761 -7.124 1.00 2.13 N ATOM 1746 NH2 ARG A 114 18.006 0.182 -6.515 1.00 2.70 N ATOM 0 H ARG A 114 15.615 2.139 -0.420 1.00 0.68 H new ATOM 0 HA ARG A 114 14.251 0.413 -0.669 1.00 0.75 H new ATOM 0 HB2 ARG A 114 16.323 -0.438 -2.712 1.00 0.91 H new ATOM 0 HB3 ARG A 114 14.852 -1.346 -2.422 1.00 0.91 H new ATOM 0 HG2 ARG A 114 13.468 0.517 -3.104 1.00 1.10 H new ATOM 0 HG3 ARG A 114 14.842 1.604 -3.142 1.00 1.10 H new ATOM 0 HD2 ARG A 114 14.517 -0.832 -4.935 1.00 1.31 H new ATOM 0 HD3 ARG A 114 14.128 0.810 -5.408 1.00 1.31 H new ATOM 0 HE ARG A 114 16.756 0.994 -4.536 1.00 1.48 H new ATOM 0 HH11 ARG A 114 15.011 -0.931 -6.939 1.00 2.13 H new ATOM 0 HH12 ARG A 114 16.431 -1.132 -7.971 1.00 2.13 H new ATOM 0 HH21 ARG A 114 18.561 0.736 -5.863 1.00 2.70 H new ATOM 0 HH22 ARG A 114 18.435 -0.190 -7.362 1.00 2.70 H new ATOM 1760 N THR A 115 16.098 -0.553 1.223 1.00 0.60 N ATOM 1761 CA THR A 115 16.511 -1.471 2.266 1.00 0.57 C ATOM 1762 C THR A 115 15.790 -1.147 3.574 1.00 0.52 C ATOM 1763 O THR A 115 15.249 -0.047 3.734 1.00 0.53 O ATOM 1764 CB THR A 115 18.033 -1.400 2.476 1.00 0.63 C ATOM 1765 OG1 THR A 115 18.491 -0.055 2.265 1.00 0.80 O ATOM 1766 CG2 THR A 115 18.762 -2.348 1.533 1.00 0.78 C ATOM 0 H THR A 115 16.146 0.430 1.492 1.00 0.60 H new ATOM 0 HA THR A 115 16.247 -2.482 1.957 1.00 0.57 H new ATOM 0 HB THR A 115 18.251 -1.704 3.500 1.00 0.63 H new ATOM 0 HG1 THR A 115 19.461 -0.014 2.401 1.00 0.80 H new ATOM 0 HG21 THR A 115 19.836 -2.277 1.704 1.00 0.78 H new ATOM 0 HG22 THR A 115 18.432 -3.370 1.718 1.00 0.78 H new ATOM 0 HG23 THR A 115 18.540 -2.077 0.501 1.00 0.78 H new ATOM 1774 N GLN A 116 15.781 -2.093 4.504 1.00 0.50 N ATOM 1775 CA GLN A 116 15.082 -1.905 5.769 1.00 0.51 C ATOM 1776 C GLN A 116 15.873 -2.502 6.926 1.00 0.54 C ATOM 1777 O GLN A 116 16.633 -3.455 6.751 1.00 0.55 O ATOM 1778 CB GLN A 116 13.682 -2.526 5.705 1.00 0.50 C ATOM 1779 CG GLN A 116 13.664 -3.974 5.238 1.00 0.45 C ATOM 1780 CD GLN A 116 12.294 -4.614 5.369 1.00 0.55 C ATOM 1781 OE1 GLN A 116 11.912 -5.458 4.561 1.00 1.21 O ATOM 1782 NE2 GLN A 116 11.554 -4.237 6.400 1.00 1.00 N ATOM 0 H GLN A 116 16.248 -2.995 4.407 1.00 0.50 H new ATOM 0 HA GLN A 116 14.983 -0.834 5.943 1.00 0.51 H new ATOM 0 HB2 GLN A 116 13.226 -2.469 6.693 1.00 0.50 H new ATOM 0 HB3 GLN A 116 13.063 -1.931 5.033 1.00 0.50 H new ATOM 0 HG2 GLN A 116 13.984 -4.020 4.197 1.00 0.45 H new ATOM 0 HG3 GLN A 116 14.386 -4.548 5.819 1.00 0.45 H new ATOM 0 HE21 GLN A 116 11.905 -3.533 7.050 1.00 1.00 H new ATOM 0 HE22 GLN A 116 10.633 -4.650 6.545 1.00 1.00 H new ATOM 1791 N ALA A 117 15.691 -1.918 8.109 1.00 0.62 N ATOM 1792 CA ALA A 117 16.395 -2.356 9.306 1.00 0.68 C ATOM 1793 C ALA A 117 15.666 -3.512 9.982 1.00 0.68 C ATOM 1794 O ALA A 117 16.233 -4.215 10.820 1.00 0.84 O ATOM 1795 CB ALA A 117 16.551 -1.192 10.273 1.00 0.83 C ATOM 0 H ALA A 117 15.056 -1.134 8.261 1.00 0.62 H new ATOM 0 HA ALA A 117 17.383 -2.710 9.011 1.00 0.68 H new ATOM 0 HB1 ALA A 117 17.079 -1.529 11.165 1.00 0.83 H new ATOM 0 HB2 ALA A 117 17.120 -0.395 9.794 1.00 0.83 H new ATOM 0 HB3 ALA A 117 15.567 -0.817 10.553 1.00 0.83 H new ATOM 1801 N ASP A 118 14.408 -3.699 9.618 1.00 0.69 N ATOM 1802 CA ASP A 118 13.600 -4.780 10.168 1.00 0.73 C ATOM 1803 C ASP A 118 13.706 -6.030 9.311 1.00 0.67 C ATOM 1804 O ASP A 118 14.267 -5.995 8.214 1.00 0.67 O ATOM 1805 CB ASP A 118 12.128 -4.364 10.277 1.00 0.81 C ATOM 1806 CG ASP A 118 11.858 -3.457 11.456 1.00 0.81 C ATOM 1807 OD1 ASP A 118 11.994 -2.225 11.301 1.00 1.04 O ATOM 1808 OD2 ASP A 118 11.524 -3.969 12.543 1.00 1.07 O ATOM 0 H ASP A 118 13.920 -3.114 8.940 1.00 0.69 H new ATOM 0 HA ASP A 118 13.984 -4.998 11.164 1.00 0.73 H new ATOM 0 HB2 ASP A 118 11.830 -3.857 9.359 1.00 0.81 H new ATOM 0 HB3 ASP A 118 11.509 -5.257 10.363 1.00 0.81 H new ATOM 1813 N ALA A 119 13.178 -7.137 9.811 1.00 0.72 N ATOM 1814 CA ALA A 119 13.106 -8.356 9.027 1.00 0.73 C ATOM 1815 C ALA A 119 11.995 -8.234 7.992 1.00 0.66 C ATOM 1816 O ALA A 119 12.240 -8.296 6.786 1.00 0.73 O ATOM 1817 CB ALA A 119 12.877 -9.562 9.928 1.00 0.91 C ATOM 0 H ALA A 119 12.795 -7.214 10.753 1.00 0.72 H new ATOM 0 HA ALA A 119 14.054 -8.502 8.510 1.00 0.73 H new ATOM 0 HB1 ALA A 119 12.826 -10.466 9.321 1.00 0.91 H new ATOM 0 HB2 ALA A 119 13.700 -9.648 10.637 1.00 0.91 H new ATOM 0 HB3 ALA A 119 11.941 -9.437 10.472 1.00 0.91 H new ATOM 1823 N LEU A 120 10.774 -8.044 8.475 1.00 0.69 N ATOM 1824 CA LEU A 120 9.622 -7.863 7.612 1.00 0.63 C ATOM 1825 C LEU A 120 8.732 -6.759 8.173 1.00 0.57 C ATOM 1826 O LEU A 120 8.447 -6.740 9.372 1.00 0.65 O ATOM 1827 CB LEU A 120 8.842 -9.180 7.519 1.00 0.73 C ATOM 1828 CG LEU A 120 7.625 -9.168 6.597 1.00 0.69 C ATOM 1829 CD1 LEU A 120 8.043 -8.895 5.166 1.00 0.89 C ATOM 1830 CD2 LEU A 120 6.877 -10.486 6.691 1.00 1.00 C ATOM 0 H LEU A 120 10.558 -8.012 9.471 1.00 0.69 H new ATOM 0 HA LEU A 120 9.952 -7.576 6.614 1.00 0.63 H new ATOM 0 HB2 LEU A 120 9.523 -9.961 7.180 1.00 0.73 H new ATOM 0 HB3 LEU A 120 8.513 -9.457 8.521 1.00 0.73 H new ATOM 0 HG LEU A 120 6.958 -8.368 6.917 1.00 0.69 H new ATOM 0 HD11 LEU A 120 7.162 -8.890 4.524 1.00 0.89 H new ATOM 0 HD12 LEU A 120 8.538 -7.925 5.110 1.00 0.89 H new ATOM 0 HD13 LEU A 120 8.730 -9.673 4.833 1.00 0.89 H new ATOM 0 HD21 LEU A 120 6.012 -10.462 6.028 1.00 1.00 H new ATOM 0 HD22 LEU A 120 7.538 -11.301 6.396 1.00 1.00 H new ATOM 0 HD23 LEU A 120 6.543 -10.643 7.717 1.00 1.00 H new ATOM 1842 N VAL A 121 8.285 -5.846 7.318 1.00 0.50 N ATOM 1843 CA VAL A 121 7.489 -4.720 7.783 1.00 0.47 C ATOM 1844 C VAL A 121 6.053 -4.818 7.267 1.00 0.39 C ATOM 1845 O VAL A 121 5.764 -4.581 6.093 1.00 0.33 O ATOM 1846 CB VAL A 121 8.132 -3.359 7.401 1.00 0.49 C ATOM 1847 CG1 VAL A 121 8.359 -3.240 5.902 1.00 0.45 C ATOM 1848 CG2 VAL A 121 7.286 -2.199 7.910 1.00 0.50 C ATOM 0 H VAL A 121 8.458 -5.863 6.313 1.00 0.50 H new ATOM 0 HA VAL A 121 7.463 -4.766 8.872 1.00 0.47 H new ATOM 0 HB VAL A 121 9.108 -3.315 7.884 1.00 0.49 H new ATOM 0 HG11 VAL A 121 8.810 -2.273 5.678 1.00 0.45 H new ATOM 0 HG12 VAL A 121 9.025 -4.037 5.570 1.00 0.45 H new ATOM 0 HG13 VAL A 121 7.405 -3.324 5.382 1.00 0.45 H new ATOM 0 HG21 VAL A 121 7.756 -1.256 7.631 1.00 0.50 H new ATOM 0 HG22 VAL A 121 6.291 -2.253 7.469 1.00 0.50 H new ATOM 0 HG23 VAL A 121 7.205 -2.257 8.995 1.00 0.50 H new ATOM 1858 N LEU A 122 5.164 -5.229 8.153 1.00 0.41 N ATOM 1859 CA LEU A 122 3.752 -5.336 7.826 1.00 0.39 C ATOM 1860 C LEU A 122 2.973 -4.241 8.538 1.00 0.42 C ATOM 1861 O LEU A 122 2.807 -4.280 9.758 1.00 0.73 O ATOM 1862 CB LEU A 122 3.217 -6.711 8.237 1.00 0.50 C ATOM 1863 CG LEU A 122 4.029 -7.912 7.737 1.00 0.51 C ATOM 1864 CD1 LEU A 122 3.395 -9.212 8.200 1.00 0.66 C ATOM 1865 CD2 LEU A 122 4.154 -7.900 6.224 1.00 0.46 C ATOM 0 H LEU A 122 5.396 -5.496 9.110 1.00 0.41 H new ATOM 0 HA LEU A 122 3.629 -5.219 6.749 1.00 0.39 H new ATOM 0 HB2 LEU A 122 3.171 -6.753 9.325 1.00 0.50 H new ATOM 0 HB3 LEU A 122 2.195 -6.808 7.871 1.00 0.50 H new ATOM 0 HG LEU A 122 5.031 -7.837 8.161 1.00 0.51 H new ATOM 0 HD11 LEU A 122 3.984 -10.054 7.836 1.00 0.66 H new ATOM 0 HD12 LEU A 122 3.364 -9.234 9.289 1.00 0.66 H new ATOM 0 HD13 LEU A 122 2.381 -9.282 7.807 1.00 0.66 H new ATOM 0 HD21 LEU A 122 4.735 -8.764 5.900 1.00 0.46 H new ATOM 0 HD22 LEU A 122 3.161 -7.942 5.777 1.00 0.46 H new ATOM 0 HD23 LEU A 122 4.656 -6.986 5.908 1.00 0.46 H new ATOM 1877 N LEU A 123 2.512 -3.258 7.782 1.00 0.24 N ATOM 1878 CA LEU A 123 1.795 -2.131 8.357 1.00 0.24 C ATOM 1879 C LEU A 123 0.290 -2.368 8.316 1.00 0.24 C ATOM 1880 O LEU A 123 -0.324 -2.381 7.244 1.00 0.25 O ATOM 1881 CB LEU A 123 2.141 -0.835 7.619 1.00 0.26 C ATOM 1882 CG LEU A 123 3.623 -0.453 7.606 1.00 0.29 C ATOM 1883 CD1 LEU A 123 3.826 0.855 6.857 1.00 0.35 C ATOM 1884 CD2 LEU A 123 4.171 -0.340 9.020 1.00 0.37 C ATOM 0 H LEU A 123 2.621 -3.217 6.769 1.00 0.24 H new ATOM 0 HA LEU A 123 2.104 -2.034 9.398 1.00 0.24 H new ATOM 0 HB2 LEU A 123 1.799 -0.923 6.588 1.00 0.26 H new ATOM 0 HB3 LEU A 123 1.579 -0.019 8.073 1.00 0.26 H new ATOM 0 HG LEU A 123 4.170 -1.243 7.092 1.00 0.29 H new ATOM 0 HD11 LEU A 123 4.885 1.113 6.856 1.00 0.35 H new ATOM 0 HD12 LEU A 123 3.479 0.744 5.830 1.00 0.35 H new ATOM 0 HD13 LEU A 123 3.260 1.647 7.347 1.00 0.35 H new ATOM 0 HD21 LEU A 123 5.226 -0.068 8.981 1.00 0.37 H new ATOM 0 HD22 LEU A 123 3.618 0.426 9.564 1.00 0.37 H new ATOM 0 HD23 LEU A 123 4.062 -1.297 9.530 1.00 0.37 H new ATOM 1896 N GLY A 124 -0.294 -2.568 9.486 1.00 0.27 N ATOM 1897 CA GLY A 124 -1.724 -2.758 9.584 1.00 0.28 C ATOM 1898 C GLY A 124 -2.399 -1.621 10.317 1.00 0.30 C ATOM 1899 O GLY A 124 -1.729 -0.785 10.925 1.00 0.34 O ATOM 0 H GLY A 124 0.202 -2.602 10.377 1.00 0.27 H new ATOM 0 HA2 GLY A 124 -2.147 -2.846 8.583 1.00 0.28 H new ATOM 0 HA3 GLY A 124 -1.930 -3.695 10.101 1.00 0.28 H new ATOM 1903 N GLY A 125 -3.726 -1.588 10.262 1.00 0.31 N ATOM 1904 CA GLY A 125 -4.479 -0.558 10.958 1.00 0.36 C ATOM 1905 C GLY A 125 -4.302 0.823 10.358 1.00 0.35 C ATOM 1906 O GLY A 125 -4.519 1.825 11.033 1.00 0.40 O ATOM 0 H GLY A 125 -4.296 -2.258 9.746 1.00 0.31 H new ATOM 0 HA2 GLY A 125 -5.537 -0.820 10.945 1.00 0.36 H new ATOM 0 HA3 GLY A 125 -4.170 -0.535 12.003 1.00 0.36 H new ATOM 1910 N LEU A 126 -3.893 0.882 9.099 1.00 0.31 N ATOM 1911 CA LEU A 126 -3.706 2.162 8.425 1.00 0.31 C ATOM 1912 C LEU A 126 -5.039 2.828 8.105 1.00 0.33 C ATOM 1913 O LEU A 126 -6.043 2.159 7.839 1.00 0.35 O ATOM 1914 CB LEU A 126 -2.880 1.995 7.146 1.00 0.31 C ATOM 1915 CG LEU A 126 -1.364 2.141 7.312 1.00 0.34 C ATOM 1916 CD1 LEU A 126 -0.824 1.147 8.325 1.00 0.38 C ATOM 1917 CD2 LEU A 126 -0.673 1.959 5.970 1.00 0.39 C ATOM 0 H LEU A 126 -3.685 0.065 8.525 1.00 0.31 H new ATOM 0 HA LEU A 126 -3.160 2.809 9.111 1.00 0.31 H new ATOM 0 HB2 LEU A 126 -3.088 1.011 6.727 1.00 0.31 H new ATOM 0 HB3 LEU A 126 -3.220 2.731 6.417 1.00 0.31 H new ATOM 0 HG LEU A 126 -1.157 3.144 7.686 1.00 0.34 H new ATOM 0 HD11 LEU A 126 0.254 1.275 8.421 1.00 0.38 H new ATOM 0 HD12 LEU A 126 -1.297 1.319 9.292 1.00 0.38 H new ATOM 0 HD13 LEU A 126 -1.041 0.132 7.990 1.00 0.38 H new ATOM 0 HD21 LEU A 126 0.404 2.065 6.098 1.00 0.39 H new ATOM 0 HD22 LEU A 126 -0.896 0.967 5.577 1.00 0.39 H new ATOM 0 HD23 LEU A 126 -1.031 2.715 5.271 1.00 0.39 H new ATOM 1929 N ASP A 127 -5.029 4.154 8.139 1.00 0.35 N ATOM 1930 CA ASP A 127 -6.208 4.962 7.846 1.00 0.41 C ATOM 1931 C ASP A 127 -5.906 5.877 6.666 1.00 0.39 C ATOM 1932 O ASP A 127 -4.740 6.102 6.335 1.00 0.45 O ATOM 1933 CB ASP A 127 -6.607 5.818 9.060 1.00 0.53 C ATOM 1934 CG ASP A 127 -7.013 5.006 10.276 1.00 0.82 C ATOM 1935 OD1 ASP A 127 -8.106 4.398 10.251 1.00 1.02 O ATOM 1936 OD2 ASP A 127 -6.229 4.937 11.245 1.00 1.11 O ATOM 0 H ASP A 127 -4.201 4.702 8.371 1.00 0.35 H new ATOM 0 HA ASP A 127 -7.035 4.294 7.607 1.00 0.41 H new ATOM 0 HB2 ASP A 127 -5.770 6.463 9.328 1.00 0.53 H new ATOM 0 HB3 ASP A 127 -7.434 6.469 8.777 1.00 0.53 H new ATOM 1941 N PHE A 128 -6.945 6.423 6.051 1.00 0.39 N ATOM 1942 CA PHE A 128 -6.781 7.293 4.889 1.00 0.42 C ATOM 1943 C PHE A 128 -6.884 8.757 5.288 1.00 0.49 C ATOM 1944 O PHE A 128 -7.204 9.619 4.467 1.00 0.61 O ATOM 1945 CB PHE A 128 -7.832 6.973 3.823 1.00 0.48 C ATOM 1946 CG PHE A 128 -7.648 5.630 3.178 1.00 0.45 C ATOM 1947 CD1 PHE A 128 -8.151 4.485 3.774 1.00 0.55 C ATOM 1948 CD2 PHE A 128 -6.967 5.511 1.975 1.00 0.49 C ATOM 1949 CE1 PHE A 128 -7.980 3.248 3.184 1.00 0.61 C ATOM 1950 CE2 PHE A 128 -6.793 4.277 1.380 1.00 0.55 C ATOM 1951 CZ PHE A 128 -7.299 3.144 1.985 1.00 0.58 C ATOM 0 H PHE A 128 -7.914 6.280 6.336 1.00 0.39 H new ATOM 0 HA PHE A 128 -5.789 7.112 4.475 1.00 0.42 H new ATOM 0 HB2 PHE A 128 -8.822 7.015 4.277 1.00 0.48 H new ATOM 0 HB3 PHE A 128 -7.801 7.743 3.053 1.00 0.48 H new ATOM 0 HD1 PHE A 128 -8.683 4.561 4.711 1.00 0.55 H new ATOM 0 HD2 PHE A 128 -6.568 6.394 1.498 1.00 0.49 H new ATOM 0 HE1 PHE A 128 -8.378 2.363 3.658 1.00 0.61 H new ATOM 0 HE2 PHE A 128 -6.262 4.198 0.443 1.00 0.55 H new ATOM 0 HZ PHE A 128 -7.163 2.178 1.522 1.00 0.58 H new ATOM 1961 N GLU A 129 -6.607 9.029 6.550 1.00 0.52 N ATOM 1962 CA GLU A 129 -6.666 10.381 7.069 1.00 0.63 C ATOM 1963 C GLU A 129 -5.493 11.201 6.543 1.00 0.64 C ATOM 1964 O GLU A 129 -4.340 10.986 6.928 1.00 0.80 O ATOM 1965 CB GLU A 129 -6.666 10.360 8.596 1.00 0.83 C ATOM 1966 CG GLU A 129 -7.839 9.592 9.187 1.00 1.58 C ATOM 1967 CD GLU A 129 -9.180 10.187 8.808 1.00 2.21 C ATOM 1968 OE1 GLU A 129 -9.522 11.275 9.315 1.00 2.54 O ATOM 1969 OE2 GLU A 129 -9.901 9.563 7.997 1.00 3.00 O ATOM 0 H GLU A 129 -6.337 8.326 7.238 1.00 0.52 H new ATOM 0 HA GLU A 129 -7.591 10.848 6.730 1.00 0.63 H new ATOM 0 HB2 GLU A 129 -5.735 9.914 8.946 1.00 0.83 H new ATOM 0 HB3 GLU A 129 -6.688 11.385 8.967 1.00 0.83 H new ATOM 0 HG2 GLU A 129 -7.797 8.557 8.849 1.00 1.58 H new ATOM 0 HG3 GLU A 129 -7.747 9.576 10.273 1.00 1.58 H new ATOM 1976 N ALA A 130 -5.792 12.124 5.646 1.00 0.73 N ATOM 1977 CA ALA A 130 -4.772 12.939 5.013 1.00 0.92 C ATOM 1978 C ALA A 130 -5.182 14.402 5.020 1.00 1.47 C ATOM 1979 O ALA A 130 -4.612 15.177 5.811 1.00 1.77 O ATOM 1980 CB ALA A 130 -4.524 12.457 3.592 1.00 0.97 C ATOM 1981 OXT ALA A 130 -6.092 14.766 4.250 1.00 2.26 O ATOM 0 H ALA A 130 -6.743 12.328 5.338 1.00 0.73 H new ATOM 0 HA ALA A 130 -3.845 12.843 5.578 1.00 0.92 H new ATOM 0 HB1 ALA A 130 -3.757 13.076 3.127 1.00 0.97 H new ATOM 0 HB2 ALA A 130 -4.190 11.420 3.613 1.00 0.97 H new ATOM 0 HB3 ALA A 130 -5.447 12.530 3.017 1.00 0.97 H new TER 1987 ALA A 130