USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 523 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 18 CYS SG : rot 180:sc= 0.423 USER MOD Set 1.2: A 65 TYR OH : rot -19:sc= 0.427 USER MOD Set 2.1: A 4 THR OG1 : rot 10:sc= 0.531 USER MOD Set 2.2: A 6 TYR OH : rot -155:sc= 1.23 USER MOD Single : A 7 SER OG : rot -143:sc= 1.27 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 21:sc= 0.775 USER MOD Single : A 13 MET CE :methyl 180:sc= -0.307 (180deg=-0.307) USER MOD Single : A 15 CYS SG : rot 43:sc= 0.2 USER MOD Single : A 21 LYS NZ :NH3+ -121:sc= -0.0899 (180deg=-1.1) USER MOD Single : A 24 ASN : amide:sc= 0.852 K(o=0.85,f=-0.088) USER MOD Single : A 28 GLN :FLIP amide:sc= -0.245 F(o=-1.1,f=-0.24) USER MOD Single : A 33 ASN : amide:sc= 2.27 K(o=2.3,f=-0.21) USER MOD Single : A 34 GLN : amide:sc= 0.0686 X(o=0.069,f=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot -170:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.438) USER MOD Single : A 50 ASN :FLIP amide:sc= -1.09 F(o=-2,f=-1.1) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0.793 K(o=0.79,f=-2.9!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 1.06 K(o=1.1,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 19 N THR A 4 -5.399 4.040 -12.599 1.00 0.53 N ATOM 20 CA THR A 4 -5.934 2.751 -12.193 1.00 0.53 C ATOM 21 C THR A 4 -5.741 2.624 -10.696 1.00 0.45 C ATOM 22 O THR A 4 -4.774 3.138 -10.131 1.00 0.47 O ATOM 23 CB THR A 4 -5.237 1.575 -12.890 1.00 0.70 C ATOM 24 OG1 THR A 4 -4.688 1.987 -14.111 1.00 0.84 O ATOM 25 CG2 THR A 4 -6.165 0.378 -13.106 1.00 1.09 C ATOM 0 HA THR A 4 -6.986 2.710 -12.475 1.00 0.53 H new ATOM 0 HB THR A 4 -4.440 1.244 -12.224 1.00 0.70 H new ATOM 0 HG1 THR A 4 -4.726 2.964 -14.174 1.00 0.84 H new ATOM 0 HG21 THR A 4 -5.617 -0.422 -13.603 1.00 1.09 H new ATOM 0 HG22 THR A 4 -6.532 0.023 -12.143 1.00 1.09 H new ATOM 0 HG23 THR A 4 -7.009 0.679 -13.727 1.00 1.09 H new ATOM 33 N ARG A 5 -6.654 1.866 -10.103 1.00 0.45 N ATOM 34 CA ARG A 5 -6.649 1.515 -8.709 1.00 0.40 C ATOM 35 C ARG A 5 -6.055 0.119 -8.557 1.00 0.34 C ATOM 36 O ARG A 5 -6.390 -0.797 -9.303 1.00 0.51 O ATOM 37 CB ARG A 5 -8.086 1.570 -8.191 1.00 0.58 C ATOM 38 CG ARG A 5 -8.202 0.824 -6.860 1.00 0.69 C ATOM 39 CD ARG A 5 -9.623 0.934 -6.321 1.00 0.91 C ATOM 40 NE ARG A 5 -9.897 -0.132 -5.337 1.00 2.47 N ATOM 41 CZ ARG A 5 -11.019 -0.872 -5.271 1.00 3.39 C ATOM 42 NH1 ARG A 5 -12.103 -0.531 -5.978 1.00 2.90 N ATOM 43 NH2 ARG A 5 -11.052 -1.965 -4.496 1.00 5.30 N ATOM 0 H ARG A 5 -7.445 1.469 -10.609 1.00 0.45 H new ATOM 0 HA ARG A 5 -6.043 2.210 -8.128 1.00 0.40 H new ATOM 0 HB2 ARG A 5 -8.393 2.608 -8.062 1.00 0.58 H new ATOM 0 HB3 ARG A 5 -8.761 1.127 -8.924 1.00 0.58 H new ATOM 0 HG2 ARG A 5 -7.937 -0.224 -6.997 1.00 0.69 H new ATOM 0 HG3 ARG A 5 -7.498 1.239 -6.139 1.00 0.69 H new ATOM 0 HD2 ARG A 5 -9.765 1.909 -5.856 1.00 0.91 H new ATOM 0 HD3 ARG A 5 -10.335 0.867 -7.144 1.00 0.91 H new ATOM 0 HE ARG A 5 -9.172 -0.325 -4.646 1.00 2.47 H new ATOM 0 HH11 ARG A 5 -12.084 0.297 -6.574 1.00 2.90 H new ATOM 0 HH12 ARG A 5 -12.948 -1.099 -5.921 1.00 2.90 H new ATOM 0 HH21 ARG A 5 -10.228 -2.234 -3.958 1.00 5.30 H new ATOM 0 HH22 ARG A 5 -11.901 -2.528 -4.444 1.00 5.30 H new ATOM 57 N TYR A 6 -5.223 -0.029 -7.535 1.00 0.32 N ATOM 58 CA TYR A 6 -4.638 -1.271 -7.065 1.00 0.32 C ATOM 59 C TYR A 6 -5.065 -1.558 -5.632 1.00 0.33 C ATOM 60 O TYR A 6 -5.058 -0.633 -4.823 1.00 0.46 O ATOM 61 CB TYR A 6 -3.134 -1.165 -7.220 1.00 0.34 C ATOM 62 CG TYR A 6 -2.709 -0.635 -8.566 1.00 0.40 C ATOM 63 CD1 TYR A 6 -3.124 -1.314 -9.724 1.00 1.82 C ATOM 64 CD2 TYR A 6 -2.168 0.656 -8.669 1.00 2.01 C ATOM 65 CE1 TYR A 6 -2.890 -0.760 -10.989 1.00 1.85 C ATOM 66 CE2 TYR A 6 -1.987 1.226 -9.936 1.00 2.07 C ATOM 67 CZ TYR A 6 -2.236 0.477 -11.092 1.00 0.72 C ATOM 68 OH TYR A 6 -1.932 0.985 -12.316 1.00 0.89 O ATOM 0 H TYR A 6 -4.921 0.770 -6.978 1.00 0.32 H new ATOM 0 HA TYR A 6 -4.992 -2.116 -7.655 1.00 0.32 H new ATOM 0 HB2 TYR A 6 -2.740 -0.513 -6.440 1.00 0.34 H new ATOM 0 HB3 TYR A 6 -2.690 -2.149 -7.068 1.00 0.34 H new ATOM 0 HD1 TYR A 6 -3.625 -2.267 -9.638 1.00 1.82 H new ATOM 0 HD2 TYR A 6 -1.894 1.205 -7.780 1.00 2.01 H new ATOM 0 HE1 TYR A 6 -3.211 -1.281 -11.879 1.00 1.85 H new ATOM 0 HE2 TYR A 6 -1.653 2.250 -10.021 1.00 2.07 H new ATOM 0 HH TYR A 6 -1.171 1.598 -12.236 1.00 0.89 H new ATOM 78 N SER A 7 -5.455 -2.810 -5.335 1.00 0.31 N ATOM 79 CA SER A 7 -5.776 -3.272 -3.985 1.00 0.33 C ATOM 80 C SER A 7 -4.696 -4.251 -3.499 1.00 0.30 C ATOM 81 O SER A 7 -4.029 -4.877 -4.321 1.00 0.30 O ATOM 82 CB SER A 7 -7.188 -3.881 -3.987 1.00 0.37 C ATOM 83 OG SER A 7 -7.504 -4.576 -2.798 1.00 2.06 O ATOM 0 H SER A 7 -5.556 -3.537 -6.043 1.00 0.31 H new ATOM 0 HA SER A 7 -5.781 -2.441 -3.280 1.00 0.33 H new ATOM 0 HB2 SER A 7 -7.918 -3.086 -4.138 1.00 0.37 H new ATOM 0 HB3 SER A 7 -7.280 -4.563 -4.832 1.00 0.37 H new ATOM 0 HG SER A 7 -8.040 -5.367 -3.014 1.00 2.06 H new ATOM 89 N TRP A 8 -4.490 -4.352 -2.180 1.00 0.29 N ATOM 90 CA TRP A 8 -3.683 -5.394 -1.547 1.00 0.29 C ATOM 91 C TRP A 8 -4.392 -5.878 -0.287 1.00 0.31 C ATOM 92 O TRP A 8 -5.159 -5.123 0.312 1.00 0.38 O ATOM 93 CB TRP A 8 -2.306 -4.896 -1.133 1.00 0.33 C ATOM 94 CG TRP A 8 -1.371 -4.354 -2.161 1.00 0.33 C ATOM 95 CD1 TRP A 8 -0.258 -4.936 -2.625 1.00 0.46 C ATOM 96 CD2 TRP A 8 -1.417 -3.134 -2.925 1.00 0.37 C ATOM 97 NE1 TRP A 8 0.490 -3.954 -3.270 1.00 0.78 N ATOM 98 CE2 TRP A 8 -0.085 -2.694 -3.081 1.00 0.81 C ATOM 99 CE3 TRP A 8 -2.144 -2.791 -4.080 1.00 0.74 C ATOM 100 CZ2 TRP A 8 0.026 -1.453 -3.751 1.00 1.04 C ATOM 101 CZ3 TRP A 8 -1.396 -2.456 -5.251 1.00 0.72 C ATOM 102 CH2 TRP A 8 -0.386 -1.518 -5.068 1.00 0.42 C ATOM 0 H TRP A 8 -4.891 -3.695 -1.511 1.00 0.29 H new ATOM 0 HA TRP A 8 -3.559 -6.191 -2.281 1.00 0.29 H new ATOM 0 HB2 TRP A 8 -2.454 -4.116 -0.386 1.00 0.33 H new ATOM 0 HB3 TRP A 8 -1.798 -5.722 -0.636 1.00 0.33 H new ATOM 0 HD1 TRP A 8 0.011 -5.977 -2.519 1.00 0.46 H new ATOM 0 HE1 TRP A 8 1.340 -4.130 -3.806 1.00 0.78 H new ATOM 0 HE3 TRP A 8 -3.224 -2.781 -4.082 1.00 0.74 H new ATOM 0 HZ2 TRP A 8 0.393 -0.552 -3.283 1.00 1.04 H new ATOM 0 HZ3 TRP A 8 -1.601 -2.901 -6.213 1.00 0.72 H new ATOM 0 HH2 TRP A 8 0.027 -0.912 -5.861 1.00 0.42 H new ATOM 113 N LYS A 9 -4.079 -7.107 0.140 1.00 0.34 N ATOM 114 CA LYS A 9 -4.567 -7.716 1.369 1.00 0.39 C ATOM 115 C LYS A 9 -3.359 -7.838 2.295 1.00 0.48 C ATOM 116 O LYS A 9 -2.468 -8.622 1.975 1.00 0.64 O ATOM 117 CB LYS A 9 -5.117 -9.109 1.028 1.00 0.49 C ATOM 118 CG LYS A 9 -6.309 -9.045 0.061 1.00 1.60 C ATOM 119 CD LYS A 9 -6.212 -10.107 -1.045 1.00 1.26 C ATOM 120 CE LYS A 9 -6.238 -11.535 -0.482 1.00 1.19 C ATOM 121 NZ LYS A 9 -6.475 -12.528 -1.550 1.00 1.90 N ATOM 0 H LYS A 9 -3.456 -7.721 -0.384 1.00 0.34 H new ATOM 0 HA LYS A 9 -5.357 -7.132 1.842 1.00 0.39 H new ATOM 0 HB2 LYS A 9 -4.324 -9.711 0.584 1.00 0.49 H new ATOM 0 HB3 LYS A 9 -5.423 -9.611 1.946 1.00 0.49 H new ATOM 0 HG2 LYS A 9 -7.235 -9.186 0.618 1.00 1.60 H new ATOM 0 HG3 LYS A 9 -6.356 -8.054 -0.391 1.00 1.60 H new ATOM 0 HD2 LYS A 9 -7.039 -9.978 -1.743 1.00 1.26 H new ATOM 0 HD3 LYS A 9 -5.292 -9.958 -1.610 1.00 1.26 H new ATOM 0 HE2 LYS A 9 -5.292 -11.750 0.014 1.00 1.19 H new ATOM 0 HE3 LYS A 9 -7.020 -11.616 0.273 1.00 1.19 H new ATOM 0 HZ1 LYS A 9 -6.487 -13.483 -1.139 1.00 1.90 H new ATOM 0 HZ2 LYS A 9 -7.390 -12.336 -2.006 1.00 1.90 H new ATOM 0 HZ3 LYS A 9 -5.715 -12.465 -2.257 1.00 1.90 H new ATOM 135 N VAL A 10 -3.290 -7.049 3.373 1.00 0.48 N ATOM 136 CA VAL A 10 -2.152 -7.003 4.279 1.00 0.58 C ATOM 137 C VAL A 10 -2.447 -7.819 5.545 1.00 0.74 C ATOM 138 O VAL A 10 -3.522 -8.398 5.699 1.00 1.46 O ATOM 139 CB VAL A 10 -1.799 -5.530 4.585 1.00 0.62 C ATOM 140 CG1 VAL A 10 -0.322 -5.373 4.961 1.00 0.70 C ATOM 141 CG2 VAL A 10 -2.056 -4.620 3.375 1.00 0.56 C ATOM 0 H VAL A 10 -4.042 -6.414 3.640 1.00 0.48 H new ATOM 0 HA VAL A 10 -1.280 -7.459 3.811 1.00 0.58 H new ATOM 0 HB VAL A 10 -2.439 -5.239 5.418 1.00 0.62 H new ATOM 0 HG11 VAL A 10 -0.109 -4.325 5.170 1.00 0.70 H new ATOM 0 HG12 VAL A 10 -0.107 -5.970 5.847 1.00 0.70 H new ATOM 0 HG13 VAL A 10 0.302 -5.712 4.134 1.00 0.70 H new ATOM 0 HG21 VAL A 10 -1.796 -3.593 3.630 1.00 0.56 H new ATOM 0 HG22 VAL A 10 -1.446 -4.951 2.535 1.00 0.56 H new ATOM 0 HG23 VAL A 10 -3.110 -4.669 3.100 1.00 0.56 H new ATOM 151 N SER A 11 -1.473 -7.891 6.451 1.00 0.32 N ATOM 152 CA SER A 11 -1.601 -8.493 7.765 1.00 0.36 C ATOM 153 C SER A 11 -0.590 -7.831 8.704 1.00 0.40 C ATOM 154 O SER A 11 0.606 -8.087 8.581 1.00 0.54 O ATOM 155 CB SER A 11 -1.341 -9.994 7.634 1.00 0.49 C ATOM 156 OG SER A 11 -2.490 -10.625 7.096 1.00 1.40 O ATOM 0 H SER A 11 -0.541 -7.516 6.277 1.00 0.32 H new ATOM 0 HA SER A 11 -2.600 -8.347 8.176 1.00 0.36 H new ATOM 0 HB2 SER A 11 -0.480 -10.170 6.989 1.00 0.49 H new ATOM 0 HB3 SER A 11 -1.102 -10.419 8.609 1.00 0.49 H new ATOM 0 HG SER A 11 -3.038 -9.962 6.626 1.00 1.40 H new ATOM 162 N GLY A 12 -1.065 -6.986 9.622 1.00 0.50 N ATOM 163 CA GLY A 12 -0.295 -6.432 10.729 1.00 0.68 C ATOM 164 C GLY A 12 -0.655 -4.974 11.015 1.00 0.74 C ATOM 165 O GLY A 12 -0.595 -4.528 12.160 1.00 0.98 O ATOM 0 H GLY A 12 -2.031 -6.660 9.611 1.00 0.50 H new ATOM 0 HA2 GLY A 12 -0.469 -7.029 11.624 1.00 0.68 H new ATOM 0 HA3 GLY A 12 0.768 -6.503 10.500 1.00 0.68 H new ATOM 169 N MET A 13 -0.975 -4.204 9.972 1.00 0.58 N ATOM 170 CA MET A 13 -1.206 -2.775 10.109 1.00 0.60 C ATOM 171 C MET A 13 -2.557 -2.507 10.788 1.00 0.71 C ATOM 172 O MET A 13 -3.589 -2.519 10.127 1.00 1.11 O ATOM 173 CB MET A 13 -1.024 -2.074 8.745 1.00 0.62 C ATOM 174 CG MET A 13 -2.119 -2.357 7.705 1.00 1.25 C ATOM 175 SD MET A 13 -1.734 -1.870 6.008 1.00 2.03 S ATOM 176 CE MET A 13 -3.358 -2.109 5.250 1.00 2.10 C ATOM 0 H MET A 13 -1.079 -4.555 9.020 1.00 0.58 H new ATOM 0 HA MET A 13 -0.460 -2.336 10.771 1.00 0.60 H new ATOM 0 HB2 MET A 13 -0.976 -0.998 8.913 1.00 0.62 H new ATOM 0 HB3 MET A 13 -0.063 -2.375 8.327 1.00 0.62 H new ATOM 0 HG2 MET A 13 -2.337 -3.425 7.716 1.00 1.25 H new ATOM 0 HG3 MET A 13 -3.029 -1.842 8.013 1.00 1.25 H new ATOM 0 HE1 MET A 13 -3.307 -1.853 4.192 1.00 2.10 H new ATOM 0 HE2 MET A 13 -3.660 -3.151 5.357 1.00 2.10 H new ATOM 0 HE3 MET A 13 -4.088 -1.467 5.743 1.00 2.10 H new ATOM 186 N ASP A 14 -2.551 -2.222 12.095 1.00 0.76 N ATOM 187 CA ASP A 14 -3.733 -1.759 12.820 1.00 0.93 C ATOM 188 C ASP A 14 -3.313 -0.890 14.010 1.00 0.94 C ATOM 189 O ASP A 14 -3.267 -1.358 15.143 1.00 1.21 O ATOM 190 CB ASP A 14 -4.614 -2.948 13.232 1.00 1.30 C ATOM 191 CG ASP A 14 -5.985 -2.479 13.703 1.00 2.09 C ATOM 192 OD1 ASP A 14 -6.673 -1.831 12.881 1.00 3.27 O ATOM 193 OD2 ASP A 14 -6.330 -2.775 14.867 1.00 2.71 O ATOM 0 H ASP A 14 -1.720 -2.308 12.680 1.00 0.76 H new ATOM 0 HA ASP A 14 -4.340 -1.134 12.165 1.00 0.93 H new ATOM 0 HB2 ASP A 14 -4.729 -3.628 12.388 1.00 1.30 H new ATOM 0 HB3 ASP A 14 -4.125 -3.508 14.029 1.00 1.30 H new ATOM 198 N CYS A 15 -2.938 0.370 13.749 1.00 0.82 N ATOM 199 CA CYS A 15 -2.565 1.346 14.779 1.00 0.81 C ATOM 200 C CYS A 15 -2.779 2.774 14.264 1.00 1.03 C ATOM 201 O CYS A 15 -3.879 3.307 14.363 1.00 2.39 O ATOM 202 CB CYS A 15 -1.124 1.111 15.283 1.00 0.79 C ATOM 203 SG CYS A 15 -1.110 0.163 16.826 1.00 1.35 S ATOM 0 H CYS A 15 -2.885 0.744 12.802 1.00 0.82 H new ATOM 0 HA CYS A 15 -3.218 1.208 15.641 1.00 0.81 H new ATOM 0 HB2 CYS A 15 -0.553 0.579 14.522 1.00 0.79 H new ATOM 0 HB3 CYS A 15 -0.631 2.070 15.439 1.00 0.79 H new ATOM 0 HG CYS A 15 -1.970 -0.809 16.746 1.00 1.35 H new ATOM 209 N ALA A 16 -1.735 3.401 13.704 1.00 0.77 N ATOM 210 CA ALA A 16 -1.770 4.749 13.134 1.00 0.84 C ATOM 211 C ALA A 16 -0.444 5.017 12.427 1.00 1.10 C ATOM 212 O ALA A 16 -0.392 5.275 11.225 1.00 2.23 O ATOM 213 CB ALA A 16 -2.022 5.803 14.220 1.00 1.07 C ATOM 0 H ALA A 16 -0.815 2.967 13.635 1.00 0.77 H new ATOM 0 HA ALA A 16 -2.591 4.815 12.420 1.00 0.84 H new ATOM 0 HB1 ALA A 16 -2.043 6.794 13.767 1.00 1.07 H new ATOM 0 HB2 ALA A 16 -2.978 5.605 14.704 1.00 1.07 H new ATOM 0 HB3 ALA A 16 -1.224 5.759 14.961 1.00 1.07 H new ATOM 219 N ALA A 17 0.648 4.891 13.184 1.00 0.58 N ATOM 220 CA ALA A 17 1.998 4.994 12.653 1.00 0.61 C ATOM 221 C ALA A 17 2.200 4.042 11.474 1.00 0.50 C ATOM 222 O ALA A 17 2.908 4.383 10.533 1.00 0.58 O ATOM 223 CB ALA A 17 3.014 4.712 13.763 1.00 0.84 C ATOM 0 H ALA A 17 0.614 4.714 14.188 1.00 0.58 H new ATOM 0 HA ALA A 17 2.151 6.008 12.284 1.00 0.61 H new ATOM 0 HB1 ALA A 17 4.024 4.790 13.360 1.00 0.84 H new ATOM 0 HB2 ALA A 17 2.886 5.438 14.566 1.00 0.84 H new ATOM 0 HB3 ALA A 17 2.856 3.707 14.154 1.00 0.84 H new ATOM 229 N CYS A 18 1.572 2.862 11.503 1.00 0.47 N ATOM 230 CA CYS A 18 1.753 1.854 10.477 1.00 0.49 C ATOM 231 C CYS A 18 1.043 2.321 9.222 1.00 0.41 C ATOM 232 O CYS A 18 1.602 2.246 8.131 1.00 0.39 O ATOM 233 CB CYS A 18 1.220 0.491 10.931 1.00 0.66 C ATOM 234 SG CYS A 18 2.267 -0.178 12.243 1.00 1.66 S ATOM 0 H CYS A 18 0.926 2.588 12.243 1.00 0.47 H new ATOM 0 HA CYS A 18 2.817 1.725 10.278 1.00 0.49 H new ATOM 0 HB2 CYS A 18 0.195 0.593 11.289 1.00 0.66 H new ATOM 0 HB3 CYS A 18 1.196 -0.198 10.087 1.00 0.66 H new ATOM 0 HG CYS A 18 1.804 -1.333 12.621 1.00 1.66 H new ATOM 240 N ALA A 19 -0.174 2.850 9.390 1.00 0.46 N ATOM 241 CA ALA A 19 -0.919 3.407 8.281 1.00 0.49 C ATOM 242 C ALA A 19 -0.095 4.488 7.595 1.00 0.42 C ATOM 243 O ALA A 19 0.053 4.478 6.374 1.00 0.47 O ATOM 244 CB ALA A 19 -2.285 3.946 8.714 1.00 0.61 C ATOM 0 H ALA A 19 -0.655 2.899 10.288 1.00 0.46 H new ATOM 0 HA ALA A 19 -1.113 2.603 7.571 1.00 0.49 H new ATOM 0 HB1 ALA A 19 -2.807 4.353 7.848 1.00 0.61 H new ATOM 0 HB2 ALA A 19 -2.875 3.137 9.146 1.00 0.61 H new ATOM 0 HB3 ALA A 19 -2.147 4.731 9.457 1.00 0.61 H new ATOM 250 N ARG A 20 0.485 5.405 8.375 1.00 0.38 N ATOM 251 CA ARG A 20 1.297 6.425 7.772 1.00 0.40 C ATOM 252 C ARG A 20 2.508 5.790 7.095 1.00 0.35 C ATOM 253 O ARG A 20 2.753 6.019 5.919 1.00 0.34 O ATOM 254 CB ARG A 20 1.690 7.525 8.734 1.00 0.50 C ATOM 255 CG ARG A 20 0.455 8.223 9.327 1.00 0.61 C ATOM 256 CD ARG A 20 0.738 8.693 10.757 1.00 0.83 C ATOM 257 NE ARG A 20 -0.442 9.344 11.353 1.00 1.31 N ATOM 258 CZ ARG A 20 -0.797 10.628 11.175 1.00 1.87 C ATOM 259 NH1 ARG A 20 -0.074 11.410 10.368 1.00 3.11 N ATOM 260 NH2 ARG A 20 -1.870 11.119 11.804 1.00 2.36 N ATOM 0 H ARG A 20 0.403 5.450 9.391 1.00 0.38 H new ATOM 0 HA ARG A 20 0.691 6.920 7.013 1.00 0.40 H new ATOM 0 HB2 ARG A 20 2.294 7.107 9.539 1.00 0.50 H new ATOM 0 HB3 ARG A 20 2.310 8.257 8.217 1.00 0.50 H new ATOM 0 HG2 ARG A 20 0.179 9.075 8.706 1.00 0.61 H new ATOM 0 HG3 ARG A 20 -0.393 7.538 9.324 1.00 0.61 H new ATOM 0 HD2 ARG A 20 1.034 7.841 11.370 1.00 0.83 H new ATOM 0 HD3 ARG A 20 1.577 9.389 10.753 1.00 0.83 H new ATOM 0 HE ARG A 20 -1.039 8.772 11.951 1.00 1.31 H new ATOM 0 HH11 ARG A 20 0.744 11.032 9.890 1.00 3.11 H new ATOM 0 HH12 ARG A 20 -0.340 12.385 10.230 1.00 3.11 H new ATOM 0 HH21 ARG A 20 -2.419 10.519 12.419 1.00 2.36 H new ATOM 0 HH22 ARG A 20 -2.139 12.094 11.669 1.00 2.36 H new ATOM 274 N LYS A 21 3.280 4.979 7.815 1.00 0.37 N ATOM 275 CA LYS A 21 4.449 4.323 7.259 1.00 0.46 C ATOM 276 C LYS A 21 4.142 3.643 5.923 1.00 0.44 C ATOM 277 O LYS A 21 4.966 3.734 5.014 1.00 0.53 O ATOM 278 CB LYS A 21 5.002 3.338 8.289 1.00 0.57 C ATOM 279 CG LYS A 21 5.824 4.043 9.380 1.00 1.18 C ATOM 280 CD LYS A 21 7.145 4.687 8.922 1.00 1.48 C ATOM 281 CE LYS A 21 8.125 3.697 8.270 1.00 2.35 C ATOM 282 NZ LYS A 21 7.888 3.514 6.820 1.00 4.25 N ATOM 0 H LYS A 21 3.109 4.762 8.797 1.00 0.37 H new ATOM 0 HA LYS A 21 5.209 5.074 7.042 1.00 0.46 H new ATOM 0 HB2 LYS A 21 4.177 2.796 8.751 1.00 0.57 H new ATOM 0 HB3 LYS A 21 5.626 2.600 7.785 1.00 0.57 H new ATOM 0 HG2 LYS A 21 5.203 4.817 9.831 1.00 1.18 H new ATOM 0 HG3 LYS A 21 6.049 3.318 10.163 1.00 1.18 H new ATOM 0 HD2 LYS A 21 6.923 5.484 8.213 1.00 1.48 H new ATOM 0 HD3 LYS A 21 7.629 5.151 9.781 1.00 1.48 H new ATOM 0 HE2 LYS A 21 9.145 4.050 8.424 1.00 2.35 H new ATOM 0 HE3 LYS A 21 8.043 2.732 8.770 1.00 2.35 H new ATOM 0 HZ1 LYS A 21 7.689 2.512 6.625 1.00 4.25 H new ATOM 0 HZ2 LYS A 21 7.076 4.093 6.525 1.00 4.25 H new ATOM 0 HZ3 LYS A 21 8.733 3.808 6.290 1.00 4.25 H new ATOM 296 N VAL A 22 2.982 2.996 5.801 1.00 0.42 N ATOM 297 CA VAL A 22 2.498 2.457 4.546 1.00 0.51 C ATOM 298 C VAL A 22 2.299 3.571 3.527 1.00 0.44 C ATOM 299 O VAL A 22 2.934 3.538 2.478 1.00 0.58 O ATOM 300 CB VAL A 22 1.169 1.736 4.773 1.00 0.58 C ATOM 301 CG1 VAL A 22 0.494 1.412 3.445 1.00 0.70 C ATOM 302 CG2 VAL A 22 1.380 0.391 5.472 1.00 0.70 C ATOM 0 H VAL A 22 2.350 2.834 6.585 1.00 0.42 H new ATOM 0 HA VAL A 22 3.238 1.755 4.162 1.00 0.51 H new ATOM 0 HB VAL A 22 0.560 2.405 5.381 1.00 0.58 H new ATOM 0 HG11 VAL A 22 -0.450 0.899 3.632 1.00 0.70 H new ATOM 0 HG12 VAL A 22 0.303 2.336 2.899 1.00 0.70 H new ATOM 0 HG13 VAL A 22 1.145 0.769 2.853 1.00 0.70 H new ATOM 0 HG21 VAL A 22 0.417 -0.097 5.619 1.00 0.70 H new ATOM 0 HG22 VAL A 22 2.018 -0.243 4.856 1.00 0.70 H new ATOM 0 HG23 VAL A 22 1.856 0.554 6.439 1.00 0.70 H new ATOM 312 N GLU A 23 1.407 4.537 3.787 1.00 0.31 N ATOM 313 CA GLU A 23 1.036 5.473 2.734 1.00 0.30 C ATOM 314 C GLU A 23 2.296 6.187 2.282 1.00 0.26 C ATOM 315 O GLU A 23 2.550 6.290 1.097 1.00 0.28 O ATOM 316 CB GLU A 23 -0.073 6.455 3.140 1.00 0.37 C ATOM 317 CG GLU A 23 0.356 7.365 4.287 1.00 0.38 C ATOM 318 CD GLU A 23 -0.675 8.432 4.619 1.00 0.63 C ATOM 319 OE1 GLU A 23 -0.692 9.440 3.874 1.00 1.85 O ATOM 320 OE2 GLU A 23 -1.381 8.247 5.631 1.00 1.71 O ATOM 0 H GLU A 23 0.947 4.683 4.686 1.00 0.31 H new ATOM 0 HA GLU A 23 0.600 4.912 1.907 1.00 0.30 H new ATOM 0 HB2 GLU A 23 -0.350 7.064 2.279 1.00 0.37 H new ATOM 0 HB3 GLU A 23 -0.961 5.896 3.434 1.00 0.37 H new ATOM 0 HG2 GLU A 23 0.542 6.759 5.174 1.00 0.38 H new ATOM 0 HG3 GLU A 23 1.299 7.847 4.027 1.00 0.38 H new ATOM 327 N ASN A 24 3.132 6.603 3.228 1.00 0.31 N ATOM 328 CA ASN A 24 4.392 7.278 2.981 1.00 0.39 C ATOM 329 C ASN A 24 5.311 6.373 2.146 1.00 0.42 C ATOM 330 O ASN A 24 5.947 6.844 1.199 1.00 0.47 O ATOM 331 CB ASN A 24 5.016 7.682 4.324 1.00 0.43 C ATOM 332 CG ASN A 24 4.327 8.891 4.977 1.00 0.46 C ATOM 333 OD1 ASN A 24 4.813 10.013 4.886 1.00 0.59 O ATOM 334 ND2 ASN A 24 3.200 8.673 5.653 1.00 0.42 N ATOM 0 H ASN A 24 2.940 6.473 4.221 1.00 0.31 H new ATOM 0 HA ASN A 24 4.235 8.189 2.403 1.00 0.39 H new ATOM 0 HB2 ASN A 24 4.970 6.834 5.007 1.00 0.43 H new ATOM 0 HB3 ASN A 24 6.070 7.912 4.172 1.00 0.43 H new ATOM 0 HD21 ASN A 24 2.721 9.449 6.110 1.00 0.42 H new ATOM 0 HD22 ASN A 24 2.816 7.730 5.714 1.00 0.42 H new ATOM 341 N ALA A 25 5.345 5.068 2.451 1.00 0.46 N ATOM 342 CA ALA A 25 6.024 4.073 1.622 1.00 0.52 C ATOM 343 C ALA A 25 5.481 4.015 0.186 1.00 0.37 C ATOM 344 O ALA A 25 6.197 3.582 -0.713 1.00 0.40 O ATOM 345 CB ALA A 25 6.016 2.698 2.297 1.00 0.71 C ATOM 0 H ALA A 25 4.901 4.676 3.281 1.00 0.46 H new ATOM 0 HA ALA A 25 7.061 4.394 1.530 1.00 0.52 H new ATOM 0 HB1 ALA A 25 6.527 1.977 1.659 1.00 0.71 H new ATOM 0 HB2 ALA A 25 6.528 2.761 3.257 1.00 0.71 H new ATOM 0 HB3 ALA A 25 4.987 2.377 2.456 1.00 0.71 H new ATOM 351 N VAL A 26 4.246 4.467 -0.043 1.00 0.27 N ATOM 352 CA VAL A 26 3.645 4.621 -1.364 1.00 0.27 C ATOM 353 C VAL A 26 3.901 6.038 -1.925 1.00 0.22 C ATOM 354 O VAL A 26 4.174 6.218 -3.107 1.00 0.29 O ATOM 355 CB VAL A 26 2.146 4.258 -1.273 1.00 0.40 C ATOM 356 CG1 VAL A 26 1.467 4.319 -2.634 1.00 1.39 C ATOM 357 CG2 VAL A 26 1.950 2.843 -0.722 1.00 1.72 C ATOM 0 H VAL A 26 3.619 4.744 0.712 1.00 0.27 H new ATOM 0 HA VAL A 26 4.110 3.939 -2.075 1.00 0.27 H new ATOM 0 HB VAL A 26 1.698 4.992 -0.603 1.00 0.40 H new ATOM 0 HG11 VAL A 26 0.414 4.057 -2.527 1.00 1.39 H new ATOM 0 HG12 VAL A 26 1.551 5.328 -3.038 1.00 1.39 H new ATOM 0 HG13 VAL A 26 1.949 3.615 -3.313 1.00 1.39 H new ATOM 0 HG21 VAL A 26 0.885 2.617 -0.670 1.00 1.72 H new ATOM 0 HG22 VAL A 26 2.441 2.125 -1.379 1.00 1.72 H new ATOM 0 HG23 VAL A 26 2.384 2.778 0.276 1.00 1.72 H new ATOM 367 N ARG A 27 3.835 7.079 -1.097 1.00 0.20 N ATOM 368 CA ARG A 27 3.933 8.462 -1.552 1.00 0.23 C ATOM 369 C ARG A 27 5.332 8.724 -2.102 1.00 0.29 C ATOM 370 O ARG A 27 5.502 9.463 -3.066 1.00 0.46 O ATOM 371 CB ARG A 27 3.585 9.436 -0.415 1.00 0.29 C ATOM 372 CG ARG A 27 2.223 9.087 0.210 1.00 0.39 C ATOM 373 CD ARG A 27 1.265 10.251 0.434 1.00 1.03 C ATOM 374 NE ARG A 27 1.687 11.106 1.554 1.00 0.77 N ATOM 375 CZ ARG A 27 0.853 11.779 2.369 1.00 1.56 C ATOM 376 NH1 ARG A 27 -0.467 11.759 2.165 1.00 2.56 N ATOM 377 NH2 ARG A 27 1.356 12.498 3.380 1.00 2.05 N ATOM 0 H ARG A 27 3.712 6.985 -0.089 1.00 0.20 H new ATOM 0 HA ARG A 27 3.211 8.627 -2.352 1.00 0.23 H new ATOM 0 HB2 ARG A 27 4.361 9.400 0.350 1.00 0.29 H new ATOM 0 HB3 ARG A 27 3.563 10.456 -0.799 1.00 0.29 H new ATOM 0 HG2 ARG A 27 1.730 8.356 -0.431 1.00 0.39 H new ATOM 0 HG3 ARG A 27 2.401 8.601 1.169 1.00 0.39 H new ATOM 0 HD2 ARG A 27 1.203 10.849 -0.475 1.00 1.03 H new ATOM 0 HD3 ARG A 27 0.265 9.864 0.630 1.00 1.03 H new ATOM 0 HE ARG A 27 2.688 11.196 1.726 1.00 0.77 H new ATOM 0 HH11 ARG A 27 -0.854 11.229 1.384 1.00 2.56 H new ATOM 0 HH12 ARG A 27 -1.088 12.273 2.790 1.00 2.56 H new ATOM 0 HH21 ARG A 27 2.365 12.533 3.528 1.00 2.05 H new ATOM 0 HH22 ARG A 27 0.731 13.011 4.002 1.00 2.05 H new ATOM 391 N GLN A 28 6.333 8.084 -1.492 1.00 0.27 N ATOM 392 CA GLN A 28 7.720 8.179 -1.910 1.00 0.32 C ATOM 393 C GLN A 28 7.991 7.687 -3.338 1.00 0.25 C ATOM 394 O GLN A 28 9.101 7.900 -3.817 1.00 0.31 O ATOM 395 CB GLN A 28 8.619 7.495 -0.878 1.00 0.40 C ATOM 396 CG GLN A 28 8.524 5.964 -0.948 1.00 0.40 C ATOM 397 CD GLN A 28 9.279 5.297 0.203 1.00 0.50 C ATOM 398 OE1 GLN A 28 9.102 5.794 1.425 1.00 0.53 O flip ATOM 399 NE2 GLN A 28 10.035 4.348 0.014 1.00 0.69 N flip ATOM 0 H GLN A 28 6.193 7.479 -0.683 1.00 0.27 H new ATOM 0 HA GLN A 28 7.964 9.241 -1.951 1.00 0.32 H new ATOM 0 HB2 GLN A 28 9.653 7.801 -1.040 1.00 0.40 H new ATOM 0 HB3 GLN A 28 8.341 7.829 0.122 1.00 0.40 H new ATOM 0 HG2 GLN A 28 7.477 5.663 -0.919 1.00 0.40 H new ATOM 0 HG3 GLN A 28 8.930 5.617 -1.899 1.00 0.40 H new ATOM 0 HE21 GLN A 28 10.162 3.977 -0.927 1.00 0.69 H new ATOM 0 HE22 GLN A 28 10.536 3.931 0.798 1.00 0.69 H new ATOM 408 N LEU A 29 7.064 6.953 -3.975 1.00 0.20 N ATOM 409 CA LEU A 29 7.232 6.460 -5.337 1.00 0.25 C ATOM 410 C LEU A 29 7.350 7.622 -6.329 1.00 0.35 C ATOM 411 O LEU A 29 8.399 8.246 -6.441 1.00 0.60 O ATOM 412 CB LEU A 29 6.121 5.465 -5.662 1.00 0.26 C ATOM 413 CG LEU A 29 6.090 4.257 -4.707 1.00 0.31 C ATOM 414 CD1 LEU A 29 5.561 3.081 -5.494 1.00 0.54 C ATOM 415 CD2 LEU A 29 7.392 3.778 -4.052 1.00 0.52 C ATOM 0 H LEU A 29 6.175 6.688 -3.551 1.00 0.20 H new ATOM 0 HA LEU A 29 8.172 5.915 -5.427 1.00 0.25 H new ATOM 0 HB2 LEU A 29 5.160 5.977 -5.621 1.00 0.26 H new ATOM 0 HB3 LEU A 29 6.249 5.109 -6.684 1.00 0.26 H new ATOM 0 HG LEU A 29 5.485 4.614 -3.874 1.00 0.31 H new ATOM 0 HD11 LEU A 29 5.523 2.201 -4.852 1.00 0.54 H new ATOM 0 HD12 LEU A 29 4.559 3.308 -5.858 1.00 0.54 H new ATOM 0 HD13 LEU A 29 6.219 2.884 -6.341 1.00 0.54 H new ATOM 0 HD21 LEU A 29 7.184 2.920 -3.413 1.00 0.52 H new ATOM 0 HD22 LEU A 29 8.104 3.490 -4.826 1.00 0.52 H new ATOM 0 HD23 LEU A 29 7.815 4.583 -3.452 1.00 0.52 H new ATOM 427 N ALA A 30 6.283 7.889 -7.076 1.00 0.27 N ATOM 428 CA ALA A 30 6.210 8.960 -8.066 1.00 0.32 C ATOM 429 C ALA A 30 4.879 8.863 -8.797 1.00 0.32 C ATOM 430 O ALA A 30 4.138 9.832 -8.906 1.00 0.33 O ATOM 431 CB ALA A 30 7.341 8.833 -9.093 1.00 0.41 C ATOM 0 H ALA A 30 5.419 7.351 -7.008 1.00 0.27 H new ATOM 0 HA ALA A 30 6.305 9.917 -7.552 1.00 0.32 H new ATOM 0 HB1 ALA A 30 7.265 9.642 -9.820 1.00 0.41 H new ATOM 0 HB2 ALA A 30 8.303 8.892 -8.584 1.00 0.41 H new ATOM 0 HB3 ALA A 30 7.260 7.875 -9.607 1.00 0.41 H new ATOM 437 N GLY A 31 4.600 7.665 -9.310 1.00 0.33 N ATOM 438 CA GLY A 31 3.440 7.434 -10.163 1.00 0.35 C ATOM 439 C GLY A 31 2.122 7.453 -9.389 1.00 0.28 C ATOM 440 O GLY A 31 1.045 7.556 -9.976 1.00 0.38 O ATOM 0 H GLY A 31 5.169 6.834 -9.146 1.00 0.33 H new ATOM 0 HA2 GLY A 31 3.410 8.196 -10.942 1.00 0.35 H new ATOM 0 HA3 GLY A 31 3.548 6.472 -10.663 1.00 0.35 H new ATOM 444 N VAL A 32 2.210 7.288 -8.069 1.00 0.21 N ATOM 445 CA VAL A 32 1.079 7.271 -7.163 1.00 0.21 C ATOM 446 C VAL A 32 0.368 8.620 -7.203 1.00 0.27 C ATOM 447 O VAL A 32 1.010 9.658 -7.058 1.00 0.37 O ATOM 448 CB VAL A 32 1.607 6.941 -5.760 1.00 0.23 C ATOM 449 CG1 VAL A 32 0.544 7.119 -4.662 1.00 0.34 C ATOM 450 CG2 VAL A 32 2.163 5.506 -5.782 1.00 0.23 C ATOM 0 H VAL A 32 3.103 7.159 -7.593 1.00 0.21 H new ATOM 0 HA VAL A 32 0.349 6.516 -7.454 1.00 0.21 H new ATOM 0 HB VAL A 32 2.398 7.647 -5.508 1.00 0.23 H new ATOM 0 HG11 VAL A 32 0.977 6.871 -3.693 1.00 0.34 H new ATOM 0 HG12 VAL A 32 0.201 8.154 -4.652 1.00 0.34 H new ATOM 0 HG13 VAL A 32 -0.300 6.459 -4.862 1.00 0.34 H new ATOM 0 HG21 VAL A 32 2.545 5.249 -4.794 1.00 0.23 H new ATOM 0 HG22 VAL A 32 1.368 4.812 -6.056 1.00 0.23 H new ATOM 0 HG23 VAL A 32 2.970 5.440 -6.511 1.00 0.23 H new ATOM 460 N ASN A 33 -0.960 8.590 -7.332 1.00 0.31 N ATOM 461 CA ASN A 33 -1.790 9.776 -7.245 1.00 0.41 C ATOM 462 C ASN A 33 -2.380 9.842 -5.839 1.00 0.37 C ATOM 463 O ASN A 33 -2.157 10.806 -5.111 1.00 0.74 O ATOM 464 CB ASN A 33 -2.932 9.715 -8.268 1.00 0.84 C ATOM 465 CG ASN A 33 -2.506 9.478 -9.713 1.00 0.83 C ATOM 466 OD1 ASN A 33 -1.581 10.115 -10.209 1.00 2.09 O ATOM 467 ND2 ASN A 33 -3.214 8.585 -10.396 1.00 0.83 N ATOM 0 H ASN A 33 -1.486 7.732 -7.501 1.00 0.31 H new ATOM 0 HA ASN A 33 -1.185 10.658 -7.456 1.00 0.41 H new ATOM 0 HB2 ASN A 33 -3.618 8.920 -7.974 1.00 0.84 H new ATOM 0 HB3 ASN A 33 -3.490 10.650 -8.221 1.00 0.84 H new ATOM 0 HD21 ASN A 33 -2.998 8.404 -11.376 1.00 0.83 H new ATOM 0 HD22 ASN A 33 -3.974 8.080 -9.940 1.00 0.83 H new ATOM 474 N GLN A 34 -3.193 8.838 -5.482 1.00 0.33 N ATOM 475 CA GLN A 34 -4.108 8.888 -4.347 1.00 0.40 C ATOM 476 C GLN A 34 -4.097 7.522 -3.651 1.00 0.45 C ATOM 477 O GLN A 34 -4.653 6.554 -4.163 1.00 1.21 O ATOM 478 CB GLN A 34 -5.523 9.252 -4.839 1.00 0.54 C ATOM 479 CG GLN A 34 -5.621 10.639 -5.498 1.00 1.38 C ATOM 480 CD GLN A 34 -6.670 10.691 -6.607 1.00 0.92 C ATOM 481 OE1 GLN A 34 -7.646 11.427 -6.496 1.00 1.32 O ATOM 482 NE2 GLN A 34 -6.488 9.940 -7.693 1.00 0.75 N ATOM 0 H GLN A 34 -3.229 7.953 -5.988 1.00 0.33 H new ATOM 0 HA GLN A 34 -3.794 9.651 -3.635 1.00 0.40 H new ATOM 0 HB2 GLN A 34 -5.853 8.498 -5.554 1.00 0.54 H new ATOM 0 HB3 GLN A 34 -6.211 9.213 -3.994 1.00 0.54 H new ATOM 0 HG2 GLN A 34 -5.864 11.382 -4.738 1.00 1.38 H new ATOM 0 HG3 GLN A 34 -4.649 10.911 -5.910 1.00 1.38 H new ATOM 0 HE21 GLN A 34 -5.669 9.336 -7.764 1.00 0.75 H new ATOM 0 HE22 GLN A 34 -7.167 9.970 -8.453 1.00 0.75 H new ATOM 491 N VAL A 35 -3.453 7.426 -2.489 1.00 0.59 N ATOM 492 CA VAL A 35 -3.360 6.197 -1.707 1.00 0.55 C ATOM 493 C VAL A 35 -4.365 6.255 -0.558 1.00 0.67 C ATOM 494 O VAL A 35 -4.460 7.286 0.104 1.00 0.93 O ATOM 495 CB VAL A 35 -1.903 5.968 -1.258 1.00 0.68 C ATOM 496 CG1 VAL A 35 -1.194 7.240 -0.771 1.00 1.35 C ATOM 497 CG2 VAL A 35 -1.802 4.898 -0.164 1.00 1.46 C ATOM 0 H VAL A 35 -2.973 8.216 -2.058 1.00 0.59 H new ATOM 0 HA VAL A 35 -3.625 5.328 -2.310 1.00 0.55 H new ATOM 0 HB VAL A 35 -1.394 5.627 -2.160 1.00 0.68 H new ATOM 0 HG11 VAL A 35 -0.174 6.997 -0.473 1.00 1.35 H new ATOM 0 HG12 VAL A 35 -1.171 7.975 -1.576 1.00 1.35 H new ATOM 0 HG13 VAL A 35 -1.733 7.653 0.082 1.00 1.35 H new ATOM 0 HG21 VAL A 35 -0.758 4.768 0.123 1.00 1.46 H new ATOM 0 HG22 VAL A 35 -2.381 5.210 0.705 1.00 1.46 H new ATOM 0 HG23 VAL A 35 -2.195 3.954 -0.541 1.00 1.46 H new ATOM 507 N GLN A 36 -5.126 5.173 -0.326 1.00 0.56 N ATOM 508 CA GLN A 36 -6.096 5.100 0.748 1.00 0.72 C ATOM 509 C GLN A 36 -5.954 3.749 1.461 1.00 0.44 C ATOM 510 O GLN A 36 -6.372 2.696 0.979 1.00 0.51 O ATOM 511 CB GLN A 36 -7.493 5.401 0.198 1.00 1.16 C ATOM 512 CG GLN A 36 -7.966 4.336 -0.790 1.00 1.12 C ATOM 513 CD GLN A 36 -9.037 4.825 -1.751 1.00 1.07 C ATOM 514 OE1 GLN A 36 -10.169 4.353 -1.707 1.00 1.68 O ATOM 515 NE2 GLN A 36 -8.681 5.737 -2.652 1.00 1.16 N ATOM 0 H GLN A 36 -5.075 4.325 -0.890 1.00 0.56 H new ATOM 0 HA GLN A 36 -5.916 5.859 1.509 1.00 0.72 H new ATOM 0 HB2 GLN A 36 -8.201 5.467 1.025 1.00 1.16 H new ATOM 0 HB3 GLN A 36 -7.486 6.373 -0.294 1.00 1.16 H new ATOM 0 HG2 GLN A 36 -7.110 3.980 -1.364 1.00 1.12 H new ATOM 0 HG3 GLN A 36 -8.353 3.483 -0.233 1.00 1.12 H new ATOM 0 HE21 GLN A 36 -7.730 6.106 -2.656 1.00 1.16 H new ATOM 0 HE22 GLN A 36 -9.359 6.068 -3.338 1.00 1.16 H new ATOM 524 N VAL A 37 -5.341 3.809 2.636 1.00 0.33 N ATOM 525 CA VAL A 37 -5.102 2.731 3.566 1.00 0.26 C ATOM 526 C VAL A 37 -6.254 2.781 4.575 1.00 0.30 C ATOM 527 O VAL A 37 -6.565 3.844 5.106 1.00 0.47 O ATOM 528 CB VAL A 37 -3.709 2.933 4.216 1.00 0.46 C ATOM 529 CG1 VAL A 37 -2.715 3.600 3.249 1.00 1.57 C ATOM 530 CG2 VAL A 37 -3.693 3.798 5.483 1.00 1.55 C ATOM 0 H VAL A 37 -4.969 4.692 2.986 1.00 0.33 H new ATOM 0 HA VAL A 37 -5.082 1.747 3.097 1.00 0.26 H new ATOM 0 HB VAL A 37 -3.424 1.914 4.477 1.00 0.46 H new ATOM 0 HG11 VAL A 37 -1.752 3.723 3.745 1.00 1.57 H new ATOM 0 HG12 VAL A 37 -2.591 2.974 2.365 1.00 1.57 H new ATOM 0 HG13 VAL A 37 -3.097 4.577 2.951 1.00 1.57 H new ATOM 0 HG21 VAL A 37 -2.672 3.876 5.857 1.00 1.55 H new ATOM 0 HG22 VAL A 37 -4.071 4.793 5.249 1.00 1.55 H new ATOM 0 HG23 VAL A 37 -4.325 3.340 6.244 1.00 1.55 H new ATOM 540 N LEU A 38 -6.935 1.655 4.785 1.00 0.36 N ATOM 541 CA LEU A 38 -8.055 1.537 5.699 1.00 0.39 C ATOM 542 C LEU A 38 -7.762 0.390 6.666 1.00 0.33 C ATOM 543 O LEU A 38 -7.551 -0.747 6.240 1.00 0.42 O ATOM 544 CB LEU A 38 -9.331 1.296 4.881 1.00 0.44 C ATOM 545 CG LEU A 38 -10.507 0.798 5.725 1.00 0.44 C ATOM 546 CD1 LEU A 38 -10.957 1.817 6.781 1.00 0.46 C ATOM 547 CD2 LEU A 38 -11.698 0.435 4.832 1.00 0.46 C ATOM 0 H LEU A 38 -6.712 0.781 4.309 1.00 0.36 H new ATOM 0 HA LEU A 38 -8.201 2.446 6.283 1.00 0.39 H new ATOM 0 HB2 LEU A 38 -9.616 2.223 4.384 1.00 0.44 H new ATOM 0 HB3 LEU A 38 -9.120 0.567 4.098 1.00 0.44 H new ATOM 0 HG LEU A 38 -10.151 -0.088 6.251 1.00 0.44 H new ATOM 0 HD11 LEU A 38 -11.793 1.408 7.348 1.00 0.46 H new ATOM 0 HD12 LEU A 38 -10.129 2.029 7.458 1.00 0.46 H new ATOM 0 HD13 LEU A 38 -11.268 2.738 6.288 1.00 0.46 H new ATOM 0 HD21 LEU A 38 -12.523 0.083 5.451 1.00 0.46 H new ATOM 0 HD22 LEU A 38 -12.014 1.315 4.272 1.00 0.46 H new ATOM 0 HD23 LEU A 38 -11.405 -0.352 4.137 1.00 0.46 H new ATOM 559 N PHE A 39 -7.776 0.698 7.963 1.00 0.70 N ATOM 560 CA PHE A 39 -7.602 -0.280 9.022 1.00 0.81 C ATOM 561 C PHE A 39 -8.806 -1.192 9.175 1.00 0.94 C ATOM 562 O PHE A 39 -9.854 -0.970 8.567 1.00 1.58 O ATOM 563 CB PHE A 39 -7.333 0.446 10.343 1.00 1.31 C ATOM 564 CG PHE A 39 -6.004 1.156 10.394 1.00 0.60 C ATOM 565 CD1 PHE A 39 -4.842 0.442 10.063 1.00 1.57 C ATOM 566 CD2 PHE A 39 -5.901 2.411 11.016 1.00 1.74 C ATOM 567 CE1 PHE A 39 -3.585 0.930 10.429 1.00 2.15 C ATOM 568 CE2 PHE A 39 -4.637 2.917 11.355 1.00 2.17 C ATOM 569 CZ PHE A 39 -3.481 2.160 11.096 1.00 2.04 C ATOM 0 H PHE A 39 -7.911 1.649 8.306 1.00 0.70 H new ATOM 0 HA PHE A 39 -6.754 -0.909 8.753 1.00 0.81 H new ATOM 0 HB2 PHE A 39 -8.128 1.172 10.515 1.00 1.31 H new ATOM 0 HB3 PHE A 39 -7.379 -0.276 11.158 1.00 1.31 H new ATOM 0 HD1 PHE A 39 -4.920 -0.490 9.522 1.00 1.57 H new ATOM 0 HD2 PHE A 39 -6.791 2.984 11.232 1.00 1.74 H new ATOM 0 HE1 PHE A 39 -2.696 0.362 10.199 1.00 2.15 H new ATOM 0 HE2 PHE A 39 -4.552 3.890 11.816 1.00 2.17 H new ATOM 0 HZ PHE A 39 -2.514 2.525 11.410 1.00 2.04 H new ATOM 579 N ALA A 40 -8.622 -2.237 9.986 1.00 0.89 N ATOM 580 CA ALA A 40 -9.587 -3.269 10.332 1.00 1.02 C ATOM 581 C ALA A 40 -9.904 -4.200 9.154 1.00 0.85 C ATOM 582 O ALA A 40 -9.875 -5.420 9.291 1.00 1.05 O ATOM 583 CB ALA A 40 -10.856 -2.668 10.948 1.00 1.35 C ATOM 0 H ALA A 40 -7.726 -2.390 10.449 1.00 0.89 H new ATOM 0 HA ALA A 40 -9.119 -3.893 11.094 1.00 1.02 H new ATOM 0 HB1 ALA A 40 -11.555 -3.468 11.194 1.00 1.35 H new ATOM 0 HB2 ALA A 40 -10.597 -2.121 11.854 1.00 1.35 H new ATOM 0 HB3 ALA A 40 -11.320 -1.988 10.234 1.00 1.35 H new ATOM 589 N THR A 41 -10.191 -3.626 7.983 1.00 0.64 N ATOM 590 CA THR A 41 -10.302 -4.355 6.729 1.00 0.50 C ATOM 591 C THR A 41 -8.920 -4.884 6.321 1.00 0.54 C ATOM 592 O THR A 41 -8.820 -5.860 5.583 1.00 0.96 O ATOM 593 CB THR A 41 -10.912 -3.444 5.649 1.00 0.56 C ATOM 594 OG1 THR A 41 -11.988 -2.677 6.162 1.00 0.78 O ATOM 595 CG2 THR A 41 -11.480 -4.280 4.497 1.00 1.03 C ATOM 0 H THR A 41 -10.355 -2.624 7.884 1.00 0.64 H new ATOM 0 HA THR A 41 -10.966 -5.211 6.850 1.00 0.50 H new ATOM 0 HB THR A 41 -10.109 -2.791 5.307 1.00 0.56 H new ATOM 0 HG1 THR A 41 -12.453 -2.231 5.424 1.00 0.78 H new ATOM 0 HG21 THR A 41 -11.907 -3.618 3.743 1.00 1.03 H new ATOM 0 HG22 THR A 41 -10.682 -4.873 4.050 1.00 1.03 H new ATOM 0 HG23 THR A 41 -12.256 -4.945 4.878 1.00 1.03 H new ATOM 603 N GLU A 42 -7.858 -4.209 6.785 1.00 0.37 N ATOM 604 CA GLU A 42 -6.463 -4.547 6.536 1.00 0.55 C ATOM 605 C GLU A 42 -6.180 -4.644 5.035 1.00 0.56 C ATOM 606 O GLU A 42 -5.342 -5.427 4.578 1.00 0.76 O ATOM 607 CB GLU A 42 -6.074 -5.800 7.342 1.00 0.83 C ATOM 608 CG GLU A 42 -4.712 -5.646 8.045 1.00 2.11 C ATOM 609 CD GLU A 42 -4.726 -6.155 9.481 1.00 3.01 C ATOM 610 OE1 GLU A 42 -5.714 -5.878 10.189 1.00 3.22 O ATOM 611 OE2 GLU A 42 -3.719 -6.797 9.849 1.00 4.25 O ATOM 0 H GLU A 42 -7.960 -3.378 7.368 1.00 0.37 H new ATOM 0 HA GLU A 42 -5.816 -3.745 6.892 1.00 0.55 H new ATOM 0 HB2 GLU A 42 -6.843 -6.003 8.087 1.00 0.83 H new ATOM 0 HB3 GLU A 42 -6.040 -6.662 6.675 1.00 0.83 H new ATOM 0 HG2 GLU A 42 -3.954 -6.188 7.480 1.00 2.11 H new ATOM 0 HG3 GLU A 42 -4.423 -4.595 8.040 1.00 2.11 H new ATOM 618 N LYS A 43 -6.881 -3.801 4.272 1.00 0.51 N ATOM 619 CA LYS A 43 -6.767 -3.738 2.829 1.00 0.60 C ATOM 620 C LYS A 43 -6.062 -2.438 2.471 1.00 0.46 C ATOM 621 O LYS A 43 -6.364 -1.386 3.042 1.00 0.54 O ATOM 622 CB LYS A 43 -8.144 -3.898 2.164 1.00 0.87 C ATOM 623 CG LYS A 43 -9.059 -2.675 2.315 1.00 1.27 C ATOM 624 CD LYS A 43 -9.000 -1.769 1.075 1.00 0.90 C ATOM 625 CE LYS A 43 -9.548 -0.391 1.457 1.00 0.65 C ATOM 626 NZ LYS A 43 -9.847 0.474 0.298 1.00 1.32 N ATOM 0 H LYS A 43 -7.553 -3.136 4.655 1.00 0.51 H new ATOM 0 HA LYS A 43 -6.169 -4.565 2.445 1.00 0.60 H new ATOM 0 HB2 LYS A 43 -8.001 -4.103 1.103 1.00 0.87 H new ATOM 0 HB3 LYS A 43 -8.643 -4.767 2.592 1.00 0.87 H new ATOM 0 HG2 LYS A 43 -10.085 -3.005 2.477 1.00 1.27 H new ATOM 0 HG3 LYS A 43 -8.764 -2.106 3.197 1.00 1.27 H new ATOM 0 HD2 LYS A 43 -7.974 -1.683 0.716 1.00 0.90 H new ATOM 0 HD3 LYS A 43 -9.587 -2.199 0.263 1.00 0.90 H new ATOM 0 HE2 LYS A 43 -10.457 -0.522 2.045 1.00 0.65 H new ATOM 0 HE3 LYS A 43 -8.824 0.113 2.097 1.00 0.65 H new ATOM 0 HZ1 LYS A 43 -10.467 1.253 0.597 1.00 1.32 H new ATOM 0 HZ2 LYS A 43 -8.961 0.863 -0.082 1.00 1.32 H new ATOM 0 HZ3 LYS A 43 -10.324 -0.085 -0.438 1.00 1.32 H new ATOM 640 N LEU A 44 -5.130 -2.507 1.523 1.00 0.36 N ATOM 641 CA LEU A 44 -4.417 -1.344 1.031 1.00 0.38 C ATOM 642 C LEU A 44 -5.047 -0.963 -0.295 1.00 0.37 C ATOM 643 O LEU A 44 -5.385 -1.873 -1.050 1.00 0.40 O ATOM 644 CB LEU A 44 -2.938 -1.703 0.798 1.00 0.45 C ATOM 645 CG LEU A 44 -1.891 -0.719 1.341 1.00 0.55 C ATOM 646 CD1 LEU A 44 -0.866 -0.378 0.260 1.00 0.51 C ATOM 647 CD2 LEU A 44 -2.448 0.615 1.837 1.00 1.12 C ATOM 0 H LEU A 44 -4.851 -3.380 1.076 1.00 0.36 H new ATOM 0 HA LEU A 44 -4.473 -0.525 1.748 1.00 0.38 H new ATOM 0 HB2 LEU A 44 -2.751 -2.679 1.246 1.00 0.45 H new ATOM 0 HB3 LEU A 44 -2.780 -1.809 -0.275 1.00 0.45 H new ATOM 0 HG LEU A 44 -1.457 -1.245 2.192 1.00 0.55 H new ATOM 0 HD11 LEU A 44 -0.132 0.320 0.662 1.00 0.51 H new ATOM 0 HD12 LEU A 44 -0.362 -1.289 -0.063 1.00 0.51 H new ATOM 0 HD13 LEU A 44 -1.372 0.078 -0.591 1.00 0.51 H new ATOM 0 HD21 LEU A 44 -1.631 1.238 2.200 1.00 1.12 H new ATOM 0 HD22 LEU A 44 -2.957 1.124 1.018 1.00 1.12 H new ATOM 0 HD23 LEU A 44 -3.155 0.436 2.647 1.00 1.12 H new ATOM 659 N VAL A 45 -5.181 0.335 -0.595 1.00 0.42 N ATOM 660 CA VAL A 45 -5.476 0.785 -1.944 1.00 0.41 C ATOM 661 C VAL A 45 -4.563 1.915 -2.374 1.00 0.38 C ATOM 662 O VAL A 45 -4.291 2.824 -1.593 1.00 0.53 O ATOM 663 CB VAL A 45 -6.953 1.168 -2.094 1.00 0.53 C ATOM 664 CG1 VAL A 45 -7.241 2.013 -3.341 1.00 0.66 C ATOM 665 CG2 VAL A 45 -7.713 -0.137 -2.245 1.00 0.80 C ATOM 0 H VAL A 45 -5.088 1.088 0.087 1.00 0.42 H new ATOM 0 HA VAL A 45 -5.283 -0.054 -2.613 1.00 0.41 H new ATOM 0 HB VAL A 45 -7.245 1.762 -1.228 1.00 0.53 H new ATOM 0 HG11 VAL A 45 -8.305 2.248 -3.384 1.00 0.66 H new ATOM 0 HG12 VAL A 45 -6.667 2.938 -3.294 1.00 0.66 H new ATOM 0 HG13 VAL A 45 -6.956 1.454 -4.233 1.00 0.66 H new ATOM 0 HG21 VAL A 45 -8.777 0.072 -2.356 1.00 0.80 H new ATOM 0 HG22 VAL A 45 -7.353 -0.668 -3.127 1.00 0.80 H new ATOM 0 HG23 VAL A 45 -7.555 -0.754 -1.361 1.00 0.80 H new ATOM 675 N VAL A 46 -4.133 1.858 -3.637 1.00 0.28 N ATOM 676 CA VAL A 46 -3.289 2.841 -4.274 1.00 0.23 C ATOM 677 C VAL A 46 -3.876 3.155 -5.646 1.00 0.22 C ATOM 678 O VAL A 46 -4.036 2.243 -6.450 1.00 0.28 O ATOM 679 CB VAL A 46 -1.876 2.255 -4.375 1.00 0.29 C ATOM 680 CG1 VAL A 46 -0.972 3.190 -5.182 1.00 0.40 C ATOM 681 CG2 VAL A 46 -1.329 2.027 -2.959 1.00 0.28 C ATOM 0 H VAL A 46 -4.380 1.089 -4.260 1.00 0.28 H new ATOM 0 HA VAL A 46 -3.237 3.770 -3.706 1.00 0.23 H new ATOM 0 HB VAL A 46 -1.905 1.299 -4.897 1.00 0.29 H new ATOM 0 HG11 VAL A 46 0.029 2.763 -5.246 1.00 0.40 H new ATOM 0 HG12 VAL A 46 -1.379 3.313 -6.186 1.00 0.40 H new ATOM 0 HG13 VAL A 46 -0.921 4.161 -4.690 1.00 0.40 H new ATOM 0 HG21 VAL A 46 -0.324 1.610 -3.020 1.00 0.28 H new ATOM 0 HG22 VAL A 46 -1.296 2.976 -2.424 1.00 0.28 H new ATOM 0 HG23 VAL A 46 -1.978 1.332 -2.426 1.00 0.28 H new ATOM 691 N ASP A 47 -4.165 4.428 -5.923 1.00 0.23 N ATOM 692 CA ASP A 47 -4.485 4.901 -7.260 1.00 0.20 C ATOM 693 C ASP A 47 -3.206 5.465 -7.856 1.00 0.26 C ATOM 694 O ASP A 47 -2.579 6.323 -7.227 1.00 0.46 O ATOM 695 CB ASP A 47 -5.531 6.010 -7.193 1.00 0.47 C ATOM 696 CG ASP A 47 -5.883 6.510 -8.583 1.00 2.43 C ATOM 697 OD1 ASP A 47 -6.739 5.863 -9.219 1.00 2.79 O ATOM 698 OD2 ASP A 47 -5.279 7.533 -8.976 1.00 4.20 O ATOM 0 H ASP A 47 -4.182 5.162 -5.215 1.00 0.23 H new ATOM 0 HA ASP A 47 -4.882 4.085 -7.863 1.00 0.20 H new ATOM 0 HB2 ASP A 47 -6.428 5.639 -6.698 1.00 0.47 H new ATOM 0 HB3 ASP A 47 -5.153 6.836 -6.590 1.00 0.47 H new ATOM 703 N ALA A 48 -2.795 4.960 -9.021 1.00 0.24 N ATOM 704 CA ALA A 48 -1.577 5.419 -9.681 1.00 0.26 C ATOM 705 C ALA A 48 -1.701 5.310 -11.200 1.00 0.33 C ATOM 706 O ALA A 48 -2.117 4.272 -11.720 1.00 0.57 O ATOM 707 CB ALA A 48 -0.365 4.623 -9.174 1.00 0.31 C ATOM 0 H ALA A 48 -3.294 4.228 -9.527 1.00 0.24 H new ATOM 0 HA ALA A 48 -1.430 6.471 -9.435 1.00 0.26 H new ATOM 0 HB1 ALA A 48 0.537 4.975 -9.674 1.00 0.31 H new ATOM 0 HB2 ALA A 48 -0.262 4.764 -8.098 1.00 0.31 H new ATOM 0 HB3 ALA A 48 -0.509 3.564 -9.389 1.00 0.31 H new ATOM 713 N ASP A 49 -1.283 6.354 -11.921 1.00 0.37 N ATOM 714 CA ASP A 49 -1.283 6.375 -13.387 1.00 0.43 C ATOM 715 C ASP A 49 -0.034 5.658 -13.914 1.00 0.40 C ATOM 716 O ASP A 49 0.738 6.222 -14.684 1.00 0.54 O ATOM 717 CB ASP A 49 -1.361 7.825 -13.907 1.00 0.59 C ATOM 718 CG ASP A 49 -2.784 8.310 -14.097 1.00 0.94 C ATOM 719 OD1 ASP A 49 -3.408 8.660 -13.074 1.00 1.57 O ATOM 720 OD2 ASP A 49 -3.226 8.327 -15.268 1.00 2.33 O ATOM 0 H ASP A 49 -0.932 7.215 -11.501 1.00 0.37 H new ATOM 0 HA ASP A 49 -2.163 5.847 -13.755 1.00 0.43 H new ATOM 0 HB2 ASP A 49 -0.849 8.484 -13.206 1.00 0.59 H new ATOM 0 HB3 ASP A 49 -0.830 7.894 -14.856 1.00 0.59 H new ATOM 725 N ASN A 50 0.144 4.393 -13.522 1.00 0.34 N ATOM 726 CA ASN A 50 1.211 3.495 -13.976 1.00 0.43 C ATOM 727 C ASN A 50 1.174 2.214 -13.149 1.00 0.58 C ATOM 728 O ASN A 50 0.492 2.172 -12.122 1.00 1.71 O ATOM 729 CB ASN A 50 2.626 4.110 -13.893 1.00 0.46 C ATOM 730 CG ASN A 50 3.129 4.429 -12.484 1.00 0.52 C ATOM 731 OD1 ASN A 50 2.308 4.294 -11.442 1.00 1.33 O flip ATOM 732 ND2 ASN A 50 4.286 4.802 -12.319 1.00 0.68 N flip ATOM 0 H ASN A 50 -0.479 3.947 -12.849 1.00 0.34 H new ATOM 0 HA ASN A 50 1.020 3.296 -15.031 1.00 0.43 H new ATOM 0 HB2 ASN A 50 3.329 3.422 -14.363 1.00 0.46 H new ATOM 0 HB3 ASN A 50 2.638 5.028 -14.480 1.00 0.46 H new ATOM 0 HD21 ASN A 50 4.909 4.903 -13.121 1.00 0.68 H new ATOM 0 HD22 ASN A 50 4.625 5.011 -11.380 1.00 0.68 H new ATOM 739 N ASP A 51 1.947 1.215 -13.568 1.00 0.83 N ATOM 740 CA ASP A 51 2.220 -0.022 -12.861 1.00 0.86 C ATOM 741 C ASP A 51 3.308 0.214 -11.809 1.00 0.55 C ATOM 742 O ASP A 51 4.470 0.430 -12.141 1.00 0.70 O ATOM 743 CB ASP A 51 2.653 -1.089 -13.884 1.00 1.31 C ATOM 744 CG ASP A 51 3.831 -0.664 -14.764 1.00 3.40 C ATOM 745 OD1 ASP A 51 3.733 0.448 -15.337 1.00 4.66 O ATOM 746 OD2 ASP A 51 4.774 -1.473 -14.881 1.00 4.40 O ATOM 0 H ASP A 51 2.427 1.256 -14.467 1.00 0.83 H new ATOM 0 HA ASP A 51 1.326 -0.371 -12.344 1.00 0.86 H new ATOM 0 HB2 ASP A 51 2.921 -2.001 -13.351 1.00 1.31 H new ATOM 0 HB3 ASP A 51 1.804 -1.331 -14.523 1.00 1.31 H new ATOM 751 N ILE A 52 2.943 0.160 -10.523 1.00 0.34 N ATOM 752 CA ILE A 52 3.906 0.241 -9.423 1.00 0.28 C ATOM 753 C ILE A 52 3.562 -0.751 -8.312 1.00 0.27 C ATOM 754 O ILE A 52 4.021 -0.602 -7.187 1.00 0.32 O ATOM 755 CB ILE A 52 4.029 1.684 -8.883 1.00 0.38 C ATOM 756 CG1 ILE A 52 2.685 2.381 -8.621 1.00 0.42 C ATOM 757 CG2 ILE A 52 4.873 2.556 -9.821 1.00 0.54 C ATOM 758 CD1 ILE A 52 1.784 1.652 -7.623 1.00 0.59 C ATOM 0 H ILE A 52 1.975 0.059 -10.218 1.00 0.34 H new ATOM 0 HA ILE A 52 4.883 -0.038 -9.818 1.00 0.28 H new ATOM 0 HB ILE A 52 4.523 1.576 -7.917 1.00 0.38 H new ATOM 0 HG12 ILE A 52 2.877 3.388 -8.251 1.00 0.42 H new ATOM 0 HG13 ILE A 52 2.152 2.484 -9.566 1.00 0.42 H new ATOM 0 HG21 ILE A 52 4.942 3.565 -9.415 1.00 0.54 H new ATOM 0 HG22 ILE A 52 5.873 2.132 -9.911 1.00 0.54 H new ATOM 0 HG23 ILE A 52 4.404 2.591 -10.805 1.00 0.54 H new ATOM 0 HD11 ILE A 52 0.856 2.210 -7.495 1.00 0.59 H new ATOM 0 HD12 ILE A 52 1.558 0.654 -7.998 1.00 0.59 H new ATOM 0 HD13 ILE A 52 2.294 1.572 -6.663 1.00 0.59 H new ATOM 770 N ARG A 53 2.762 -1.781 -8.590 1.00 0.26 N ATOM 771 CA ARG A 53 2.231 -2.627 -7.521 1.00 0.32 C ATOM 772 C ARG A 53 3.349 -3.372 -6.813 1.00 0.30 C ATOM 773 O ARG A 53 3.445 -3.342 -5.589 1.00 0.34 O ATOM 774 CB ARG A 53 1.192 -3.612 -8.042 1.00 0.40 C ATOM 775 CG ARG A 53 0.159 -2.892 -8.900 1.00 0.48 C ATOM 776 CD ARG A 53 -1.074 -3.741 -9.213 1.00 0.57 C ATOM 777 NE ARG A 53 -0.781 -5.179 -9.217 1.00 0.69 N ATOM 778 CZ ARG A 53 -1.194 -6.118 -10.077 1.00 1.42 C ATOM 779 NH1 ARG A 53 -1.870 -5.797 -11.188 1.00 2.57 N ATOM 780 NH2 ARG A 53 -0.898 -7.388 -9.805 1.00 1.72 N ATOM 0 H ARG A 53 2.471 -2.047 -9.531 1.00 0.26 H new ATOM 0 HA ARG A 53 1.739 -1.968 -6.806 1.00 0.32 H new ATOM 0 HB2 ARG A 53 1.681 -4.390 -8.628 1.00 0.40 H new ATOM 0 HB3 ARG A 53 0.698 -4.106 -7.205 1.00 0.40 H new ATOM 0 HG2 ARG A 53 -0.156 -1.983 -8.388 1.00 0.48 H new ATOM 0 HG3 ARG A 53 0.626 -2.585 -9.836 1.00 0.48 H new ATOM 0 HD2 ARG A 53 -1.850 -3.534 -8.476 1.00 0.57 H new ATOM 0 HD3 ARG A 53 -1.472 -3.452 -10.186 1.00 0.57 H new ATOM 0 HE ARG A 53 -0.180 -5.508 -8.461 1.00 0.69 H new ATOM 0 HH11 ARG A 53 -2.080 -4.820 -11.393 1.00 2.57 H new ATOM 0 HH12 ARG A 53 -2.175 -6.529 -11.829 1.00 2.57 H new ATOM 0 HH21 ARG A 53 -0.372 -7.620 -8.962 1.00 1.72 H new ATOM 0 HH22 ARG A 53 -1.198 -8.129 -10.439 1.00 1.72 H new ATOM 794 N ALA A 54 4.240 -3.970 -7.605 1.00 0.28 N ATOM 795 CA ALA A 54 5.443 -4.599 -7.095 1.00 0.30 C ATOM 796 C ALA A 54 6.298 -3.566 -6.366 1.00 0.25 C ATOM 797 O ALA A 54 7.005 -3.901 -5.419 1.00 0.26 O ATOM 798 CB ALA A 54 6.228 -5.216 -8.251 1.00 0.34 C ATOM 0 H ALA A 54 4.141 -4.028 -8.619 1.00 0.28 H new ATOM 0 HA ALA A 54 5.171 -5.386 -6.392 1.00 0.30 H new ATOM 0 HB1 ALA A 54 7.132 -5.688 -7.866 1.00 0.34 H new ATOM 0 HB2 ALA A 54 5.612 -5.964 -8.751 1.00 0.34 H new ATOM 0 HB3 ALA A 54 6.501 -4.437 -8.962 1.00 0.34 H new ATOM 804 N GLN A 55 6.236 -2.303 -6.806 1.00 0.24 N ATOM 805 CA GLN A 55 7.007 -1.250 -6.184 1.00 0.27 C ATOM 806 C GLN A 55 6.449 -0.977 -4.799 1.00 0.24 C ATOM 807 O GLN A 55 7.202 -0.851 -3.833 1.00 0.27 O ATOM 808 CB GLN A 55 7.008 0.007 -7.067 1.00 0.37 C ATOM 809 CG GLN A 55 8.358 0.729 -7.033 1.00 0.49 C ATOM 810 CD GLN A 55 9.243 0.303 -8.198 1.00 1.18 C ATOM 811 OE1 GLN A 55 10.036 -0.625 -8.081 1.00 2.68 O ATOM 812 NE2 GLN A 55 9.108 0.977 -9.338 1.00 0.89 N ATOM 0 H GLN A 55 5.658 -1.998 -7.589 1.00 0.24 H new ATOM 0 HA GLN A 55 8.046 -1.561 -6.077 1.00 0.27 H new ATOM 0 HB2 GLN A 55 6.771 -0.271 -8.094 1.00 0.37 H new ATOM 0 HB3 GLN A 55 6.225 0.687 -6.732 1.00 0.37 H new ATOM 0 HG2 GLN A 55 8.198 1.806 -7.070 1.00 0.49 H new ATOM 0 HG3 GLN A 55 8.864 0.514 -6.092 1.00 0.49 H new ATOM 0 HE21 GLN A 55 8.438 1.744 -9.401 1.00 0.89 H new ATOM 0 HE22 GLN A 55 9.674 0.726 -10.149 1.00 0.89 H new ATOM 821 N VAL A 56 5.122 -0.905 -4.697 1.00 0.22 N ATOM 822 CA VAL A 56 4.494 -0.637 -3.433 1.00 0.20 C ATOM 823 C VAL A 56 4.758 -1.828 -2.521 1.00 0.18 C ATOM 824 O VAL A 56 5.316 -1.655 -1.439 1.00 0.24 O ATOM 825 CB VAL A 56 3.004 -0.384 -3.627 1.00 0.23 C ATOM 826 CG1 VAL A 56 2.316 -0.407 -2.254 1.00 0.36 C ATOM 827 CG2 VAL A 56 2.851 1.020 -4.201 1.00 0.36 C ATOM 0 H VAL A 56 4.477 -1.030 -5.477 1.00 0.22 H new ATOM 0 HA VAL A 56 4.906 0.262 -2.975 1.00 0.20 H new ATOM 0 HB VAL A 56 2.567 -1.137 -4.283 1.00 0.23 H new ATOM 0 HG11 VAL A 56 1.248 -0.227 -2.379 1.00 0.36 H new ATOM 0 HG12 VAL A 56 2.468 -1.380 -1.787 1.00 0.36 H new ATOM 0 HG13 VAL A 56 2.743 0.370 -1.620 1.00 0.36 H new ATOM 0 HG21 VAL A 56 1.794 1.237 -4.354 1.00 0.36 H new ATOM 0 HG22 VAL A 56 3.274 1.745 -3.506 1.00 0.36 H new ATOM 0 HG23 VAL A 56 3.376 1.083 -5.154 1.00 0.36 H new ATOM 837 N GLU A 57 4.383 -3.035 -2.974 1.00 0.24 N ATOM 838 CA GLU A 57 4.673 -4.261 -2.248 1.00 0.23 C ATOM 839 C GLU A 57 6.100 -4.231 -1.740 1.00 0.23 C ATOM 840 O GLU A 57 6.268 -4.287 -0.534 1.00 0.28 O ATOM 841 CB GLU A 57 4.359 -5.525 -3.065 1.00 0.30 C ATOM 842 CG GLU A 57 5.264 -6.700 -2.642 1.00 0.41 C ATOM 843 CD GLU A 57 4.719 -8.084 -2.944 1.00 1.22 C ATOM 844 OE1 GLU A 57 3.734 -8.187 -3.705 1.00 2.33 O ATOM 845 OE2 GLU A 57 5.313 -9.017 -2.358 1.00 2.41 O ATOM 0 H GLU A 57 3.875 -3.178 -3.847 1.00 0.24 H new ATOM 0 HA GLU A 57 4.007 -4.312 -1.387 1.00 0.23 H new ATOM 0 HB2 GLU A 57 3.313 -5.800 -2.928 1.00 0.30 H new ATOM 0 HB3 GLU A 57 4.498 -5.319 -4.126 1.00 0.30 H new ATOM 0 HG2 GLU A 57 6.228 -6.591 -3.139 1.00 0.41 H new ATOM 0 HG3 GLU A 57 5.448 -6.627 -1.570 1.00 0.41 H new ATOM 852 N SER A 58 7.108 -4.096 -2.605 1.00 0.23 N ATOM 853 CA SER A 58 8.503 -4.057 -2.182 1.00 0.27 C ATOM 854 C SER A 58 8.694 -3.135 -0.968 1.00 0.25 C ATOM 855 O SER A 58 9.385 -3.490 -0.010 1.00 0.30 O ATOM 856 CB SER A 58 9.384 -3.637 -3.365 1.00 0.36 C ATOM 857 OG SER A 58 10.754 -3.705 -3.020 1.00 0.62 O ATOM 0 H SER A 58 6.977 -4.011 -3.613 1.00 0.23 H new ATOM 0 HA SER A 58 8.806 -5.054 -1.863 1.00 0.27 H new ATOM 0 HB2 SER A 58 9.187 -4.285 -4.219 1.00 0.36 H new ATOM 0 HB3 SER A 58 9.131 -2.622 -3.670 1.00 0.36 H new ATOM 0 HG SER A 58 11.299 -3.435 -3.789 1.00 0.62 H new ATOM 863 N ALA A 59 8.036 -1.973 -0.972 1.00 0.29 N ATOM 864 CA ALA A 59 8.156 -0.991 0.084 1.00 0.26 C ATOM 865 C ALA A 59 7.529 -1.509 1.382 1.00 0.23 C ATOM 866 O ALA A 59 8.129 -1.385 2.448 1.00 0.26 O ATOM 867 CB ALA A 59 7.528 0.320 -0.381 1.00 0.28 C ATOM 0 H ALA A 59 7.401 -1.694 -1.720 1.00 0.29 H new ATOM 0 HA ALA A 59 9.208 -0.807 0.302 1.00 0.26 H new ATOM 0 HB1 ALA A 59 7.614 1.065 0.410 1.00 0.28 H new ATOM 0 HB2 ALA A 59 8.045 0.675 -1.273 1.00 0.28 H new ATOM 0 HB3 ALA A 59 6.475 0.157 -0.613 1.00 0.28 H new ATOM 873 N LEU A 60 6.332 -2.093 1.317 1.00 0.23 N ATOM 874 CA LEU A 60 5.662 -2.658 2.477 1.00 0.29 C ATOM 875 C LEU A 60 6.386 -3.899 2.996 1.00 0.29 C ATOM 876 O LEU A 60 6.535 -4.082 4.204 1.00 0.38 O ATOM 877 CB LEU A 60 4.212 -2.966 2.106 1.00 0.33 C ATOM 878 CG LEU A 60 3.384 -1.682 2.157 1.00 0.63 C ATOM 879 CD1 LEU A 60 3.646 -0.696 1.021 1.00 1.86 C ATOM 880 CD2 LEU A 60 1.914 -2.047 2.089 1.00 1.52 C ATOM 0 H LEU A 60 5.801 -2.185 0.451 1.00 0.23 H new ATOM 0 HA LEU A 60 5.678 -1.932 3.290 1.00 0.29 H new ATOM 0 HB2 LEU A 60 4.166 -3.400 1.107 1.00 0.33 H new ATOM 0 HB3 LEU A 60 3.799 -3.704 2.794 1.00 0.33 H new ATOM 0 HG LEU A 60 3.674 -1.191 3.086 1.00 0.63 H new ATOM 0 HD11 LEU A 60 3.011 0.181 1.147 1.00 1.86 H new ATOM 0 HD12 LEU A 60 4.693 -0.392 1.037 1.00 1.86 H new ATOM 0 HD13 LEU A 60 3.422 -1.173 0.067 1.00 1.86 H new ATOM 0 HD21 LEU A 60 1.312 -1.139 2.125 1.00 1.52 H new ATOM 0 HD22 LEU A 60 1.714 -2.579 1.159 1.00 1.52 H new ATOM 0 HD23 LEU A 60 1.658 -2.685 2.935 1.00 1.52 H new ATOM 892 N GLN A 61 6.867 -4.726 2.075 1.00 0.26 N ATOM 893 CA GLN A 61 7.618 -5.938 2.353 1.00 0.39 C ATOM 894 C GLN A 61 8.844 -5.537 3.168 1.00 0.46 C ATOM 895 O GLN A 61 9.047 -6.036 4.272 1.00 0.54 O ATOM 896 CB GLN A 61 7.992 -6.640 1.027 1.00 0.46 C ATOM 897 CG GLN A 61 7.776 -8.161 0.976 1.00 0.72 C ATOM 898 CD GLN A 61 6.349 -8.620 1.290 1.00 1.23 C ATOM 899 OE1 GLN A 61 6.021 -8.847 2.450 1.00 3.07 O ATOM 900 NE2 GLN A 61 5.492 -8.821 0.294 1.00 0.80 N ATOM 0 H GLN A 61 6.738 -4.562 1.077 1.00 0.26 H new ATOM 0 HA GLN A 61 7.030 -6.654 2.926 1.00 0.39 H new ATOM 0 HB2 GLN A 61 7.412 -6.185 0.224 1.00 0.46 H new ATOM 0 HB3 GLN A 61 9.042 -6.436 0.817 1.00 0.46 H new ATOM 0 HG2 GLN A 61 8.047 -8.519 -0.017 1.00 0.72 H new ATOM 0 HG3 GLN A 61 8.458 -8.634 1.682 1.00 0.72 H new ATOM 0 HE21 GLN A 61 5.774 -8.629 -0.667 1.00 0.80 H new ATOM 0 HE22 GLN A 61 4.553 -9.167 0.491 1.00 0.80 H new ATOM 909 N LYS A 62 9.635 -4.590 2.647 1.00 0.44 N ATOM 910 CA LYS A 62 10.837 -4.153 3.337 1.00 0.57 C ATOM 911 C LYS A 62 10.509 -3.356 4.606 1.00 0.59 C ATOM 912 O LYS A 62 11.265 -3.407 5.573 1.00 0.70 O ATOM 913 CB LYS A 62 11.810 -3.448 2.376 1.00 0.81 C ATOM 914 CG LYS A 62 11.371 -2.072 1.868 1.00 1.89 C ATOM 915 CD LYS A 62 11.838 -0.898 2.740 1.00 1.98 C ATOM 916 CE LYS A 62 11.253 0.405 2.174 1.00 3.97 C ATOM 917 NZ LYS A 62 11.768 1.600 2.870 1.00 4.55 N ATOM 0 H LYS A 62 9.460 -4.121 1.758 1.00 0.44 H new ATOM 0 HA LYS A 62 11.369 -5.035 3.692 1.00 0.57 H new ATOM 0 HB2 LYS A 62 12.771 -3.338 2.879 1.00 0.81 H new ATOM 0 HB3 LYS A 62 11.973 -4.096 1.515 1.00 0.81 H new ATOM 0 HG2 LYS A 62 11.753 -1.932 0.857 1.00 1.89 H new ATOM 0 HG3 LYS A 62 10.283 -2.051 1.804 1.00 1.89 H new ATOM 0 HD2 LYS A 62 11.513 -1.041 3.770 1.00 1.98 H new ATOM 0 HD3 LYS A 62 12.927 -0.848 2.753 1.00 1.98 H new ATOM 0 HE2 LYS A 62 11.490 0.476 1.112 1.00 3.97 H new ATOM 0 HE3 LYS A 62 10.167 0.379 2.257 1.00 3.97 H new ATOM 0 HZ1 LYS A 62 11.345 2.454 2.453 1.00 4.55 H new ATOM 0 HZ2 LYS A 62 11.520 1.548 3.879 1.00 4.55 H new ATOM 0 HZ3 LYS A 62 12.802 1.642 2.769 1.00 4.55 H new ATOM 931 N ALA A 63 9.401 -2.602 4.618 1.00 0.53 N ATOM 932 CA ALA A 63 8.941 -1.914 5.822 1.00 0.61 C ATOM 933 C ALA A 63 8.586 -2.911 6.926 1.00 0.65 C ATOM 934 O ALA A 63 8.819 -2.628 8.099 1.00 0.79 O ATOM 935 CB ALA A 63 7.744 -1.012 5.508 1.00 0.58 C ATOM 0 H ALA A 63 8.808 -2.456 3.801 1.00 0.53 H new ATOM 0 HA ALA A 63 9.759 -1.289 6.181 1.00 0.61 H new ATOM 0 HB1 ALA A 63 7.418 -0.510 6.419 1.00 0.58 H new ATOM 0 HB2 ALA A 63 8.034 -0.267 4.767 1.00 0.58 H new ATOM 0 HB3 ALA A 63 6.927 -1.616 5.114 1.00 0.58 H new ATOM 941 N GLY A 64 8.015 -4.059 6.549 1.00 0.56 N ATOM 942 CA GLY A 64 7.730 -5.174 7.438 1.00 0.55 C ATOM 943 C GLY A 64 6.231 -5.434 7.560 1.00 0.41 C ATOM 944 O GLY A 64 5.730 -5.617 8.668 1.00 0.52 O ATOM 0 H GLY A 64 7.732 -4.237 5.585 1.00 0.56 H new ATOM 0 HA2 GLY A 64 8.225 -6.071 7.066 1.00 0.55 H new ATOM 0 HA3 GLY A 64 8.144 -4.967 8.425 1.00 0.55 H new ATOM 948 N TYR A 65 5.514 -5.474 6.432 1.00 0.33 N ATOM 949 CA TYR A 65 4.107 -5.852 6.376 1.00 0.45 C ATOM 950 C TYR A 65 3.934 -6.888 5.272 1.00 0.58 C ATOM 951 O TYR A 65 4.268 -6.609 4.122 1.00 1.23 O ATOM 952 CB TYR A 65 3.240 -4.624 6.083 1.00 0.61 C ATOM 953 CG TYR A 65 3.502 -3.430 6.976 1.00 0.66 C ATOM 954 CD1 TYR A 65 3.215 -3.505 8.351 1.00 1.78 C ATOM 955 CD2 TYR A 65 4.056 -2.253 6.440 1.00 1.88 C ATOM 956 CE1 TYR A 65 3.469 -2.403 9.184 1.00 1.87 C ATOM 957 CE2 TYR A 65 4.303 -1.147 7.271 1.00 1.90 C ATOM 958 CZ TYR A 65 4.008 -1.225 8.644 1.00 0.90 C ATOM 959 OH TYR A 65 4.238 -0.154 9.456 1.00 1.07 O ATOM 0 H TYR A 65 5.906 -5.240 5.520 1.00 0.33 H new ATOM 0 HA TYR A 65 3.795 -6.268 7.334 1.00 0.45 H new ATOM 0 HB2 TYR A 65 3.397 -4.325 5.047 1.00 0.61 H new ATOM 0 HB3 TYR A 65 2.192 -4.907 6.178 1.00 0.61 H new ATOM 0 HD1 TYR A 65 2.799 -4.411 8.767 1.00 1.78 H new ATOM 0 HD2 TYR A 65 4.292 -2.199 5.387 1.00 1.88 H new ATOM 0 HE1 TYR A 65 3.250 -2.462 10.240 1.00 1.87 H new ATOM 0 HE2 TYR A 65 4.718 -0.240 6.857 1.00 1.90 H new ATOM 0 HH TYR A 65 3.713 -0.248 10.278 1.00 1.07 H new ATOM 969 N SER A 66 3.409 -8.071 5.603 1.00 0.44 N ATOM 970 CA SER A 66 3.192 -9.106 4.608 1.00 0.41 C ATOM 971 C SER A 66 1.860 -8.835 3.921 1.00 0.36 C ATOM 972 O SER A 66 0.830 -8.775 4.596 1.00 0.49 O ATOM 973 CB SER A 66 3.211 -10.485 5.271 1.00 0.51 C ATOM 974 OG SER A 66 4.411 -10.636 6.006 1.00 1.71 O ATOM 0 H SER A 66 3.130 -8.328 6.550 1.00 0.44 H new ATOM 0 HA SER A 66 3.988 -9.094 3.863 1.00 0.41 H new ATOM 0 HB2 SER A 66 2.351 -10.595 5.931 1.00 0.51 H new ATOM 0 HB3 SER A 66 3.134 -11.266 4.514 1.00 0.51 H new ATOM 0 HG SER A 66 4.424 -11.518 6.433 1.00 1.71 H new ATOM 980 N LEU A 67 1.889 -8.669 2.598 1.00 0.37 N ATOM 981 CA LEU A 67 0.699 -8.529 1.775 1.00 0.37 C ATOM 982 C LEU A 67 0.657 -9.573 0.672 1.00 0.41 C ATOM 983 O LEU A 67 1.581 -10.370 0.515 1.00 0.42 O ATOM 984 CB LEU A 67 0.556 -7.103 1.218 1.00 0.34 C ATOM 985 CG LEU A 67 1.821 -6.466 0.630 1.00 0.47 C ATOM 986 CD1 LEU A 67 2.250 -7.072 -0.698 1.00 0.81 C ATOM 987 CD2 LEU A 67 1.509 -4.983 0.461 1.00 0.83 C ATOM 0 H LEU A 67 2.757 -8.628 2.065 1.00 0.37 H new ATOM 0 HA LEU A 67 -0.162 -8.707 2.419 1.00 0.37 H new ATOM 0 HB2 LEU A 67 -0.211 -7.115 0.444 1.00 0.34 H new ATOM 0 HB3 LEU A 67 0.191 -6.459 2.018 1.00 0.34 H new ATOM 0 HG LEU A 67 2.659 -6.644 1.303 1.00 0.47 H new ATOM 0 HD11 LEU A 67 3.151 -6.571 -1.052 1.00 0.81 H new ATOM 0 HD12 LEU A 67 2.454 -8.134 -0.564 1.00 0.81 H new ATOM 0 HD13 LEU A 67 1.453 -6.945 -1.430 1.00 0.81 H new ATOM 0 HD21 LEU A 67 2.378 -4.474 0.044 1.00 0.83 H new ATOM 0 HD22 LEU A 67 0.660 -4.864 -0.213 1.00 0.83 H new ATOM 0 HD23 LEU A 67 1.266 -4.550 1.431 1.00 0.83 H new ATOM 999 N ARG A 68 -0.437 -9.546 -0.087 1.00 0.53 N ATOM 1000 CA ARG A 68 -0.616 -10.274 -1.320 1.00 0.63 C ATOM 1001 C ARG A 68 -1.093 -9.247 -2.332 1.00 0.68 C ATOM 1002 O ARG A 68 -2.103 -8.582 -2.083 1.00 0.97 O ATOM 1003 CB ARG A 68 -1.649 -11.387 -1.111 1.00 0.83 C ATOM 1004 CG ARG A 68 -1.077 -12.400 -0.117 1.00 0.52 C ATOM 1005 CD ARG A 68 -1.978 -13.624 0.069 1.00 1.33 C ATOM 1006 NE ARG A 68 -1.232 -14.702 0.739 1.00 1.72 N ATOM 1007 CZ ARG A 68 -1.748 -15.859 1.181 1.00 2.93 C ATOM 1008 NH1 ARG A 68 -3.070 -16.060 1.133 1.00 4.07 N ATOM 1009 NH2 ARG A 68 -0.942 -16.811 1.662 1.00 3.47 N ATOM 0 H ARG A 68 -1.254 -8.988 0.161 1.00 0.53 H new ATOM 0 HA ARG A 68 0.299 -10.756 -1.664 1.00 0.63 H new ATOM 0 HB2 ARG A 68 -2.583 -10.971 -0.733 1.00 0.83 H new ATOM 0 HB3 ARG A 68 -1.878 -11.874 -2.059 1.00 0.83 H new ATOM 0 HG2 ARG A 68 -0.096 -12.726 -0.462 1.00 0.52 H new ATOM 0 HG3 ARG A 68 -0.930 -11.913 0.847 1.00 0.52 H new ATOM 0 HD2 ARG A 68 -2.853 -13.355 0.660 1.00 1.33 H new ATOM 0 HD3 ARG A 68 -2.341 -13.969 -0.899 1.00 1.33 H new ATOM 0 HE ARG A 68 -0.232 -14.556 0.880 1.00 1.72 H new ATOM 0 HH11 ARG A 68 -3.683 -15.335 0.761 1.00 4.07 H new ATOM 0 HH12 ARG A 68 -3.465 -16.939 1.468 1.00 4.07 H new ATOM 0 HH21 ARG A 68 0.066 -16.658 1.693 1.00 3.47 H new ATOM 0 HH22 ARG A 68 -1.335 -17.690 1.998 1.00 3.47 H new ATOM 1023 N ASP A 69 -0.350 -9.097 -3.430 1.00 0.55 N ATOM 1024 CA ASP A 69 -0.708 -8.218 -4.511 1.00 0.61 C ATOM 1025 C ASP A 69 -2.025 -8.698 -5.071 1.00 0.51 C ATOM 1026 O ASP A 69 -2.184 -9.865 -5.435 1.00 0.78 O ATOM 1027 CB ASP A 69 0.337 -8.231 -5.624 1.00 0.81 C ATOM 1028 CG ASP A 69 0.442 -6.884 -6.317 1.00 2.53 C ATOM 1029 OD1 ASP A 69 0.609 -5.866 -5.614 1.00 4.11 O ATOM 1030 OD2 ASP A 69 0.335 -6.888 -7.564 1.00 3.07 O ATOM 0 H ASP A 69 0.527 -9.596 -3.582 1.00 0.55 H new ATOM 0 HA ASP A 69 -0.774 -7.198 -4.132 1.00 0.61 H new ATOM 0 HB2 ASP A 69 1.307 -8.502 -5.208 1.00 0.81 H new ATOM 0 HB3 ASP A 69 0.079 -8.997 -6.356 1.00 0.81 H new ATOM 1035 N GLU A 70 -2.970 -7.785 -5.086 1.00 0.49 N ATOM 1036 CA GLU A 70 -4.317 -8.046 -5.515 1.00 0.54 C ATOM 1037 C GLU A 70 -4.501 -7.548 -6.944 1.00 0.62 C ATOM 1038 O GLU A 70 -3.578 -7.083 -7.617 1.00 0.73 O ATOM 1039 CB GLU A 70 -5.260 -7.372 -4.519 1.00 0.63 C ATOM 1040 CG GLU A 70 -6.405 -8.214 -3.983 1.00 0.69 C ATOM 1041 CD GLU A 70 -7.694 -7.681 -4.565 1.00 1.78 C ATOM 1042 OE1 GLU A 70 -7.923 -8.019 -5.746 1.00 2.69 O ATOM 1043 OE2 GLU A 70 -8.341 -6.869 -3.866 1.00 2.77 O ATOM 0 H GLU A 70 -2.815 -6.820 -4.793 1.00 0.49 H new ATOM 0 HA GLU A 70 -4.541 -9.113 -5.529 1.00 0.54 H new ATOM 0 HB2 GLU A 70 -4.668 -7.025 -3.672 1.00 0.63 H new ATOM 0 HB3 GLU A 70 -5.683 -6.488 -4.996 1.00 0.63 H new ATOM 0 HG2 GLU A 70 -6.268 -9.260 -4.256 1.00 0.69 H new ATOM 0 HG3 GLU A 70 -6.432 -8.170 -2.894 1.00 0.69 H new ATOM 1050 N GLN A 71 -5.730 -7.700 -7.406 1.00 0.70 N ATOM 1051 CA GLN A 71 -6.166 -7.256 -8.713 1.00 0.73 C ATOM 1052 C GLN A 71 -6.132 -5.727 -8.780 1.00 0.84 C ATOM 1053 O GLN A 71 -6.134 -5.024 -7.762 1.00 0.96 O ATOM 1054 CB GLN A 71 -7.578 -7.791 -8.982 1.00 0.82 C ATOM 1055 CG GLN A 71 -7.628 -9.329 -8.916 1.00 1.97 C ATOM 1056 CD GLN A 71 -9.015 -9.839 -8.545 1.00 2.63 C ATOM 1057 OE1 GLN A 71 -9.625 -10.598 -9.292 1.00 3.23 O ATOM 1058 NE2 GLN A 71 -9.506 -9.445 -7.376 1.00 3.30 N ATOM 0 H GLN A 71 -6.470 -8.148 -6.866 1.00 0.70 H new ATOM 0 HA GLN A 71 -5.495 -7.641 -9.481 1.00 0.73 H new ATOM 0 HB2 GLN A 71 -8.271 -7.373 -8.251 1.00 0.82 H new ATOM 0 HB3 GLN A 71 -7.912 -7.458 -9.965 1.00 0.82 H new ATOM 0 HG2 GLN A 71 -7.335 -9.743 -9.881 1.00 1.97 H new ATOM 0 HG3 GLN A 71 -6.903 -9.684 -8.184 1.00 1.97 H new ATOM 0 HE21 GLN A 71 -8.967 -8.813 -6.784 1.00 3.30 H new ATOM 0 HE22 GLN A 71 -10.422 -9.774 -7.070 1.00 3.30 H new