USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 587 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 31 THR OG1 : rot -80:sc= -0.104 USER MOD Set 1.2: A 37 GLN : amide:sc= 0.241 K(o=0.14,f=-4.8!) USER MOD Set 2.1: A 24 LYS NZ :NH3+ 173:sc= 1.13 (180deg=-0.077) USER MOD Set 2.2: A 46 ASN : amide:sc= 1.07 K(o=2.2,f=-6.1) USER MOD Single : A 1 LYS N :NH3+ -174:sc= 0 (180deg=-0.0521) USER MOD Single : A 1 LYS NZ :NH3+ -169:sc= -0.0179 (180deg=-0.143) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 30:sc= -0.0162 USER MOD Single : A 16 SER OG : rot 42:sc= 1.3 USER MOD Single : A 17 HIS : no HD1:sc= -0.226 X(o=-0.23,f=-0.09) USER MOD Single : A 22 ASN : amide:sc= -0.4 K(o=-0.4,f=-4.5!) USER MOD Single : A 25 HIS : no HE2:sc= -0.388 K(o=-0.39,f=-0.99) USER MOD Single : A 27 LYS NZ :NH3+ 168:sc= -0.0146 (180deg=-0.186) USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= 0.172 K(o=0.17,f=-8.9!) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0.246 X(o=0.25,f=0.092) USER MOD Single : A 61 TYR OH : rot 0:sc= -0.141 USER MOD Single : A 64 LYS NZ :NH3+ -139:sc= 1.66 (180deg=0.727) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -163:sc= 1.3 (180deg=1.12) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -23.803 -6.253 1.561 1.00 24.32 N ATOM 2 CA LYS A 1 -22.485 -6.880 1.495 1.00 34.53 C ATOM 3 C LYS A 1 -21.444 -5.847 1.098 1.00 21.15 C ATOM 4 O LYS A 1 -21.556 -5.238 0.038 1.00 63.44 O ATOM 5 CB LYS A 1 -22.480 -8.010 0.449 1.00 63.52 C ATOM 6 CG LYS A 1 -23.469 -9.138 0.697 1.00 12.22 C ATOM 7 CD LYS A 1 -23.195 -9.866 1.999 1.00 1.33 C ATOM 8 CE LYS A 1 -24.145 -11.043 2.191 1.00 20.10 C ATOM 9 NZ LYS A 1 -25.566 -10.620 2.223 1.00 61.25 N ATOM 0 H1 LYS A 1 -24.494 -6.936 1.930 1.00 24.32 H new ATOM 0 H2 LYS A 1 -23.763 -5.426 2.191 1.00 24.32 H new ATOM 0 H3 LYS A 1 -24.091 -5.949 0.609 1.00 24.32 H new ATOM 0 HA LYS A 1 -22.251 -7.291 2.477 1.00 34.53 H new ATOM 0 HB2 LYS A 1 -22.688 -7.576 -0.529 1.00 63.52 H new ATOM 0 HB3 LYS A 1 -21.477 -8.434 0.403 1.00 63.52 H new ATOM 0 HG2 LYS A 1 -24.481 -8.734 0.715 1.00 12.22 H new ATOM 0 HG3 LYS A 1 -23.424 -9.847 -0.130 1.00 12.22 H new ATOM 0 HD2 LYS A 1 -22.165 -10.223 2.008 1.00 1.33 H new ATOM 0 HD3 LYS A 1 -23.299 -9.173 2.834 1.00 1.33 H new ATOM 0 HE2 LYS A 1 -24.000 -11.760 1.383 1.00 20.10 H new ATOM 0 HE3 LYS A 1 -23.900 -11.557 3.121 1.00 20.10 H new ATOM 0 HZ1 LYS A 1 -26.158 -11.415 2.539 1.00 61.25 H new ATOM 0 HZ2 LYS A 1 -25.676 -9.823 2.882 1.00 61.25 H new ATOM 0 HZ3 LYS A 1 -25.862 -10.325 1.271 1.00 61.25 H new ATOM 23 N PRO A 2 -20.438 -5.592 1.947 1.00 5.31 N ATOM 24 CA PRO A 2 -19.332 -4.706 1.593 1.00 33.22 C ATOM 25 C PRO A 2 -18.390 -5.420 0.633 1.00 43.33 C ATOM 26 O PRO A 2 -18.445 -6.659 0.500 1.00 52.44 O ATOM 27 CB PRO A 2 -18.612 -4.451 2.933 1.00 70.25 C ATOM 28 CG PRO A 2 -19.489 -5.049 3.983 1.00 34.33 C ATOM 29 CD PRO A 2 -20.300 -6.111 3.306 1.00 64.54 C ATOM 0 HA PRO A 2 -19.663 -3.788 1.108 1.00 33.22 H new ATOM 0 HB2 PRO A 2 -17.624 -4.911 2.940 1.00 70.25 H new ATOM 0 HB3 PRO A 2 -18.469 -3.384 3.104 1.00 70.25 H new ATOM 0 HG2 PRO A 2 -18.893 -5.472 4.791 1.00 34.33 H new ATOM 0 HG3 PRO A 2 -20.135 -4.291 4.427 1.00 34.33 H new ATOM 0 HD2 PRO A 2 -19.796 -7.077 3.321 1.00 64.54 H new ATOM 0 HD3 PRO A 2 -21.268 -6.249 3.787 1.00 64.54 H new ATOM 37 N VAL A 3 -17.550 -4.683 -0.039 1.00 3.44 N ATOM 38 CA VAL A 3 -16.606 -5.299 -0.936 1.00 33.34 C ATOM 39 C VAL A 3 -15.388 -5.743 -0.152 1.00 60.23 C ATOM 40 O VAL A 3 -14.554 -4.930 0.253 1.00 3.41 O ATOM 41 CB VAL A 3 -16.192 -4.370 -2.105 1.00 62.11 C ATOM 42 CG1 VAL A 3 -15.215 -5.085 -3.040 1.00 54.52 C ATOM 43 CG2 VAL A 3 -17.421 -3.903 -2.878 1.00 54.25 C ATOM 0 H VAL A 3 -17.497 -3.666 0.014 1.00 3.44 H new ATOM 0 HA VAL A 3 -17.095 -6.162 -1.389 1.00 33.34 H new ATOM 0 HB VAL A 3 -15.693 -3.496 -1.687 1.00 62.11 H new ATOM 0 HG11 VAL A 3 -14.936 -4.417 -3.855 1.00 54.52 H new ATOM 0 HG12 VAL A 3 -14.323 -5.372 -2.484 1.00 54.52 H new ATOM 0 HG13 VAL A 3 -15.690 -5.977 -3.449 1.00 54.52 H new ATOM 0 HG21 VAL A 3 -17.111 -3.252 -3.695 1.00 54.25 H new ATOM 0 HG22 VAL A 3 -17.947 -4.768 -3.283 1.00 54.25 H new ATOM 0 HG23 VAL A 3 -18.085 -3.355 -2.209 1.00 54.25 H new ATOM 53 N SER A 4 -15.318 -7.009 0.100 1.00 13.33 N ATOM 54 CA SER A 4 -14.242 -7.574 0.829 1.00 13.45 C ATOM 55 C SER A 4 -13.170 -8.020 -0.158 1.00 53.30 C ATOM 56 O SER A 4 -13.487 -8.455 -1.278 1.00 31.12 O ATOM 57 CB SER A 4 -14.748 -8.749 1.676 1.00 40.30 C ATOM 58 OG SER A 4 -13.721 -9.271 2.512 1.00 63.44 O ATOM 0 H SER A 4 -16.019 -7.686 -0.201 1.00 13.33 H new ATOM 0 HA SER A 4 -13.812 -6.839 1.509 1.00 13.45 H new ATOM 0 HB2 SER A 4 -15.587 -8.421 2.290 1.00 40.30 H new ATOM 0 HB3 SER A 4 -15.121 -9.537 1.021 1.00 40.30 H new ATOM 0 HG SER A 4 -14.076 -10.017 3.040 1.00 63.44 H new ATOM 64 N LEU A 5 -11.924 -7.901 0.229 1.00 44.11 N ATOM 65 CA LEU A 5 -10.832 -8.259 -0.631 1.00 33.51 C ATOM 66 C LEU A 5 -9.673 -8.768 0.224 1.00 24.35 C ATOM 67 O LEU A 5 -9.304 -8.135 1.229 1.00 64.31 O ATOM 68 CB LEU A 5 -10.469 -7.031 -1.520 1.00 62.31 C ATOM 69 CG LEU A 5 -9.392 -7.191 -2.613 1.00 75.35 C ATOM 70 CD1 LEU A 5 -9.507 -6.043 -3.593 1.00 60.20 C ATOM 71 CD2 LEU A 5 -8.004 -7.158 -2.011 1.00 12.34 C ATOM 0 H LEU A 5 -11.643 -7.554 1.146 1.00 44.11 H new ATOM 0 HA LEU A 5 -11.098 -9.070 -1.309 1.00 33.51 H new ATOM 0 HB2 LEU A 5 -11.385 -6.695 -2.007 1.00 62.31 H new ATOM 0 HB3 LEU A 5 -10.148 -6.228 -0.857 1.00 62.31 H new ATOM 0 HG LEU A 5 -9.547 -8.149 -3.110 1.00 75.35 H new ATOM 0 HD11 LEU A 5 -8.749 -6.149 -4.369 1.00 60.20 H new ATOM 0 HD12 LEU A 5 -10.497 -6.052 -4.050 1.00 60.20 H new ATOM 0 HD13 LEU A 5 -9.359 -5.100 -3.067 1.00 60.20 H new ATOM 0 HD21 LEU A 5 -7.262 -7.273 -2.801 1.00 12.34 H new ATOM 0 HD22 LEU A 5 -7.850 -6.206 -1.504 1.00 12.34 H new ATOM 0 HD23 LEU A 5 -7.899 -7.972 -1.294 1.00 12.34 H new ATOM 83 N SER A 6 -9.136 -9.917 -0.166 1.00 34.11 N ATOM 84 CA SER A 6 -8.070 -10.594 0.554 1.00 41.45 C ATOM 85 C SER A 6 -6.841 -9.697 0.728 1.00 55.40 C ATOM 86 O SER A 6 -6.375 -9.064 -0.215 1.00 52.42 O ATOM 87 CB SER A 6 -7.700 -11.875 -0.193 1.00 70.31 C ATOM 88 OG SER A 6 -8.853 -12.703 -0.367 1.00 53.35 O ATOM 0 H SER A 6 -9.436 -10.411 -1.006 1.00 34.11 H new ATOM 0 HA SER A 6 -8.428 -10.839 1.554 1.00 41.45 H new ATOM 0 HB2 SER A 6 -7.273 -11.626 -1.165 1.00 70.31 H new ATOM 0 HB3 SER A 6 -6.935 -12.418 0.361 1.00 70.31 H new ATOM 0 HG SER A 6 -8.601 -13.518 -0.848 1.00 53.35 H new ATOM 94 N TYR A 7 -6.327 -9.648 1.924 1.00 1.21 N ATOM 95 CA TYR A 7 -5.195 -8.813 2.232 1.00 1.41 C ATOM 96 C TYR A 7 -3.899 -9.455 1.743 1.00 12.15 C ATOM 97 O TYR A 7 -3.523 -10.533 2.195 1.00 74.04 O ATOM 98 CB TYR A 7 -5.140 -8.571 3.752 1.00 11.44 C ATOM 99 CG TYR A 7 -4.008 -7.686 4.232 1.00 0.24 C ATOM 100 CD1 TYR A 7 -2.774 -8.226 4.574 1.00 2.52 C ATOM 101 CD2 TYR A 7 -4.182 -6.318 4.363 1.00 70.51 C ATOM 102 CE1 TYR A 7 -1.748 -7.430 5.024 1.00 32.13 C ATOM 103 CE2 TYR A 7 -3.160 -5.515 4.817 1.00 72.03 C ATOM 104 CZ TYR A 7 -1.942 -6.076 5.147 1.00 71.33 C ATOM 105 OH TYR A 7 -0.916 -5.275 5.606 1.00 45.41 O ATOM 0 H TYR A 7 -6.680 -10.186 2.716 1.00 1.21 H new ATOM 0 HA TYR A 7 -5.307 -7.858 1.719 1.00 1.41 H new ATOM 0 HB2 TYR A 7 -6.084 -8.125 4.066 1.00 11.44 H new ATOM 0 HB3 TYR A 7 -5.061 -9.536 4.253 1.00 11.44 H new ATOM 0 HD1 TYR A 7 -2.618 -9.291 4.484 1.00 2.52 H new ATOM 0 HD2 TYR A 7 -5.133 -5.875 4.105 1.00 70.51 H new ATOM 0 HE1 TYR A 7 -0.794 -7.867 5.280 1.00 32.13 H new ATOM 0 HE2 TYR A 7 -3.310 -4.450 4.915 1.00 72.03 H new ATOM 0 HH TYR A 7 -0.055 -5.668 5.352 1.00 45.41 H new ATOM 115 N ARG A 8 -3.248 -8.819 0.792 1.00 75.33 N ATOM 116 CA ARG A 8 -1.928 -9.265 0.372 1.00 24.54 C ATOM 117 C ARG A 8 -0.951 -8.214 0.812 1.00 63.51 C ATOM 118 O ARG A 8 -0.083 -8.437 1.657 1.00 21.12 O ATOM 119 CB ARG A 8 -1.758 -9.418 -1.161 1.00 12.45 C ATOM 120 CG ARG A 8 -2.723 -10.314 -1.913 1.00 55.23 C ATOM 121 CD ARG A 8 -4.061 -9.654 -2.132 1.00 14.21 C ATOM 122 NE ARG A 8 -4.933 -10.478 -2.956 1.00 30.41 N ATOM 123 CZ ARG A 8 -5.819 -10.016 -3.840 1.00 52.34 C ATOM 124 NH1 ARG A 8 -5.942 -8.711 -4.064 1.00 32.10 N ATOM 125 NH2 ARG A 8 -6.563 -10.860 -4.516 1.00 62.24 N ATOM 0 H ARG A 8 -3.602 -8.000 0.297 1.00 75.33 H new ATOM 0 HA ARG A 8 -1.769 -10.249 0.813 1.00 24.54 H new ATOM 0 HB2 ARG A 8 -1.819 -8.423 -1.602 1.00 12.45 H new ATOM 0 HB3 ARG A 8 -0.750 -9.788 -1.347 1.00 12.45 H new ATOM 0 HG2 ARG A 8 -2.290 -10.583 -2.877 1.00 55.23 H new ATOM 0 HG3 ARG A 8 -2.864 -11.241 -1.357 1.00 55.23 H new ATOM 0 HD2 ARG A 8 -4.538 -9.467 -1.170 1.00 14.21 H new ATOM 0 HD3 ARG A 8 -3.916 -8.685 -2.610 1.00 14.21 H new ATOM 0 HE ARG A 8 -4.861 -11.490 -2.849 1.00 30.41 H new ATOM 0 HH11 ARG A 8 -5.355 -8.049 -3.557 1.00 32.10 H new ATOM 0 HH12 ARG A 8 -6.624 -8.372 -4.743 1.00 32.10 H new ATOM 0 HH21 ARG A 8 -6.462 -11.864 -4.364 1.00 62.24 H new ATOM 0 HH22 ARG A 8 -7.242 -10.512 -5.193 1.00 62.24 H new ATOM 139 N CYS A 9 -1.131 -7.057 0.233 1.00 73.22 N ATOM 140 CA CYS A 9 -0.323 -5.910 0.482 1.00 31.02 C ATOM 141 C CYS A 9 -1.128 -4.999 1.408 1.00 33.31 C ATOM 142 O CYS A 9 -2.365 -5.086 1.414 1.00 5.41 O ATOM 143 CB CYS A 9 -0.100 -5.198 -0.857 1.00 12.33 C ATOM 144 SG CYS A 9 0.322 -6.324 -2.252 1.00 3.11 S ATOM 0 H CYS A 9 -1.872 -6.889 -0.447 1.00 73.22 H new ATOM 0 HA CYS A 9 0.637 -6.169 0.930 1.00 31.02 H new ATOM 0 HB2 CYS A 9 -1.001 -4.642 -1.114 1.00 12.33 H new ATOM 0 HB3 CYS A 9 0.702 -4.469 -0.739 1.00 12.33 H new ATOM 149 N PRO A 10 -0.470 -4.153 2.223 1.00 1.44 N ATOM 150 CA PRO A 10 -1.161 -3.213 3.106 1.00 21.01 C ATOM 151 C PRO A 10 -2.082 -2.269 2.336 1.00 43.00 C ATOM 152 O PRO A 10 -3.209 -1.999 2.761 1.00 60.10 O ATOM 153 CB PRO A 10 -0.027 -2.428 3.788 1.00 44.54 C ATOM 154 CG PRO A 10 1.180 -2.702 2.968 1.00 50.53 C ATOM 155 CD PRO A 10 0.978 -4.066 2.381 1.00 40.33 C ATOM 0 HA PRO A 10 -1.807 -3.731 3.814 1.00 21.01 H new ATOM 0 HB2 PRO A 10 -0.249 -1.361 3.819 1.00 44.54 H new ATOM 0 HB3 PRO A 10 0.114 -2.754 4.818 1.00 44.54 H new ATOM 0 HG2 PRO A 10 1.298 -1.953 2.185 1.00 50.53 H new ATOM 0 HG3 PRO A 10 2.082 -2.669 3.578 1.00 50.53 H new ATOM 0 HD2 PRO A 10 1.494 -4.174 1.427 1.00 40.33 H new ATOM 0 HD3 PRO A 10 1.358 -4.847 3.039 1.00 40.33 H new ATOM 163 N CYS A 11 -1.625 -1.788 1.215 1.00 30.15 N ATOM 164 CA CYS A 11 -2.409 -0.887 0.430 1.00 4.22 C ATOM 165 C CYS A 11 -3.073 -1.594 -0.726 1.00 22.52 C ATOM 166 O CYS A 11 -2.450 -2.394 -1.424 1.00 51.01 O ATOM 167 CB CYS A 11 -1.567 0.291 -0.044 1.00 52.11 C ATOM 168 SG CYS A 11 -0.946 1.329 1.321 1.00 1.54 S ATOM 0 H CYS A 11 -0.708 -2.008 0.825 1.00 30.15 H new ATOM 0 HA CYS A 11 -3.204 -0.495 1.065 1.00 4.22 H new ATOM 0 HB2 CYS A 11 -0.721 -0.084 -0.620 1.00 52.11 H new ATOM 0 HB3 CYS A 11 -2.163 0.907 -0.718 1.00 52.11 H new ATOM 173 N ARG A 12 -4.346 -1.324 -0.901 1.00 11.11 N ATOM 174 CA ARG A 12 -5.107 -1.884 -1.992 1.00 45.31 C ATOM 175 C ARG A 12 -5.246 -0.834 -3.081 1.00 33.44 C ATOM 176 O ARG A 12 -4.838 -1.037 -4.229 1.00 41.43 O ATOM 177 CB ARG A 12 -6.502 -2.309 -1.518 1.00 2.34 C ATOM 178 CG ARG A 12 -6.533 -3.409 -0.469 1.00 62.32 C ATOM 179 CD ARG A 12 -7.967 -3.683 -0.050 1.00 43.32 C ATOM 180 NE ARG A 12 -8.086 -4.745 0.959 1.00 62.11 N ATOM 181 CZ ARG A 12 -8.792 -4.622 2.099 1.00 21.42 C ATOM 182 NH1 ARG A 12 -9.331 -3.455 2.422 1.00 40.12 N ATOM 183 NH2 ARG A 12 -8.950 -5.663 2.911 1.00 12.30 N ATOM 0 H ARG A 12 -4.883 -0.709 -0.290 1.00 11.11 H new ATOM 0 HA ARG A 12 -4.588 -2.763 -2.374 1.00 45.31 H new ATOM 0 HB2 ARG A 12 -7.012 -1.434 -1.116 1.00 2.34 H new ATOM 0 HB3 ARG A 12 -7.075 -2.641 -2.384 1.00 2.34 H new ATOM 0 HG2 ARG A 12 -6.082 -4.317 -0.868 1.00 62.32 H new ATOM 0 HG3 ARG A 12 -5.942 -3.114 0.398 1.00 62.32 H new ATOM 0 HD2 ARG A 12 -8.404 -2.766 0.345 1.00 43.32 H new ATOM 0 HD3 ARG A 12 -8.548 -3.960 -0.929 1.00 43.32 H new ATOM 0 HE ARG A 12 -7.605 -5.628 0.785 1.00 62.11 H new ATOM 0 HH11 ARG A 12 -9.211 -2.650 1.807 1.00 40.12 H new ATOM 0 HH12 ARG A 12 -9.866 -3.362 3.286 1.00 40.12 H new ATOM 0 HH21 ARG A 12 -8.535 -6.564 2.672 1.00 12.30 H new ATOM 0 HH22 ARG A 12 -9.486 -5.561 3.773 1.00 12.30 H new ATOM 197 N PHE A 13 -5.808 0.289 -2.708 1.00 72.00 N ATOM 198 CA PHE A 13 -6.029 1.384 -3.618 1.00 40.24 C ATOM 199 C PHE A 13 -5.103 2.526 -3.254 1.00 43.03 C ATOM 200 O PHE A 13 -4.881 2.794 -2.066 1.00 75.15 O ATOM 201 CB PHE A 13 -7.484 1.881 -3.529 1.00 60.11 C ATOM 202 CG PHE A 13 -8.540 0.844 -3.823 1.00 55.43 C ATOM 203 CD1 PHE A 13 -8.917 0.566 -5.126 1.00 73.55 C ATOM 204 CD2 PHE A 13 -9.164 0.157 -2.790 1.00 41.25 C ATOM 205 CE1 PHE A 13 -9.892 -0.378 -5.396 1.00 3.25 C ATOM 206 CE2 PHE A 13 -10.139 -0.785 -3.052 1.00 70.11 C ATOM 207 CZ PHE A 13 -10.503 -1.053 -4.358 1.00 44.22 C ATOM 0 H PHE A 13 -6.127 0.470 -1.756 1.00 72.00 H new ATOM 0 HA PHE A 13 -5.833 1.038 -4.633 1.00 40.24 H new ATOM 0 HB2 PHE A 13 -7.655 2.276 -2.527 1.00 60.11 H new ATOM 0 HB3 PHE A 13 -7.610 2.711 -4.224 1.00 60.11 H new ATOM 0 HD1 PHE A 13 -8.444 1.093 -5.942 1.00 73.55 H new ATOM 0 HD2 PHE A 13 -8.883 0.362 -1.768 1.00 41.25 H new ATOM 0 HE1 PHE A 13 -10.175 -0.587 -6.417 1.00 3.25 H new ATOM 0 HE2 PHE A 13 -10.616 -1.311 -2.238 1.00 70.11 H new ATOM 0 HZ PHE A 13 -11.265 -1.790 -4.566 1.00 44.22 H new ATOM 217 N PHE A 14 -4.551 3.176 -4.242 1.00 73.50 N ATOM 218 CA PHE A 14 -3.723 4.331 -3.999 1.00 2.03 C ATOM 219 C PHE A 14 -4.529 5.575 -4.263 1.00 1.53 C ATOM 220 O PHE A 14 -5.352 5.595 -5.177 1.00 21.35 O ATOM 221 CB PHE A 14 -2.463 4.331 -4.873 1.00 4.05 C ATOM 222 CG PHE A 14 -1.545 3.163 -4.647 1.00 74.12 C ATOM 223 CD1 PHE A 14 -0.920 2.986 -3.426 1.00 1.42 C ATOM 224 CD2 PHE A 14 -1.308 2.248 -5.652 1.00 50.30 C ATOM 225 CE1 PHE A 14 -0.077 1.915 -3.213 1.00 42.21 C ATOM 226 CE2 PHE A 14 -0.465 1.176 -5.447 1.00 2.35 C ATOM 227 CZ PHE A 14 0.152 1.008 -4.226 1.00 10.04 C ATOM 0 H PHE A 14 -4.658 2.927 -5.225 1.00 73.50 H new ATOM 0 HA PHE A 14 -3.396 4.302 -2.960 1.00 2.03 H new ATOM 0 HB2 PHE A 14 -2.763 4.343 -5.921 1.00 4.05 H new ATOM 0 HB3 PHE A 14 -1.910 5.252 -4.690 1.00 4.05 H new ATOM 0 HD1 PHE A 14 -1.094 3.695 -2.630 1.00 1.42 H new ATOM 0 HD2 PHE A 14 -1.789 2.373 -6.611 1.00 50.30 H new ATOM 0 HE1 PHE A 14 0.403 1.787 -2.254 1.00 42.21 H new ATOM 0 HE2 PHE A 14 -0.288 0.468 -6.243 1.00 2.35 H new ATOM 0 HZ PHE A 14 0.812 0.169 -4.063 1.00 10.04 H new ATOM 237 N GLU A 15 -4.318 6.595 -3.471 1.00 73.45 N ATOM 238 CA GLU A 15 -5.021 7.827 -3.625 1.00 45.23 C ATOM 239 C GLU A 15 -4.501 8.474 -4.916 1.00 73.11 C ATOM 240 O GLU A 15 -5.270 8.880 -5.783 1.00 24.43 O ATOM 241 CB GLU A 15 -4.698 8.688 -2.417 1.00 2.24 C ATOM 242 CG GLU A 15 -5.685 9.794 -2.093 1.00 74.04 C ATOM 243 CD GLU A 15 -5.909 10.805 -3.181 1.00 33.34 C ATOM 244 OE1 GLU A 15 -5.189 11.782 -3.227 1.00 0.25 O ATOM 245 OE2 GLU A 15 -6.849 10.633 -3.990 1.00 41.02 O ATOM 0 H GLU A 15 -3.650 6.587 -2.701 1.00 73.45 H new ATOM 0 HA GLU A 15 -6.101 7.697 -3.690 1.00 45.23 H new ATOM 0 HB2 GLU A 15 -4.616 8.038 -1.546 1.00 2.24 H new ATOM 0 HB3 GLU A 15 -3.718 9.139 -2.571 1.00 2.24 H new ATOM 0 HG2 GLU A 15 -6.643 9.339 -1.842 1.00 74.04 H new ATOM 0 HG3 GLU A 15 -5.337 10.317 -1.202 1.00 74.04 H new ATOM 252 N SER A 16 -3.170 8.521 -5.018 1.00 52.31 N ATOM 253 CA SER A 16 -2.430 9.024 -6.181 1.00 12.23 C ATOM 254 C SER A 16 -2.464 10.565 -6.300 1.00 72.21 C ATOM 255 O SER A 16 -1.460 11.188 -6.629 1.00 74.33 O ATOM 256 CB SER A 16 -2.875 8.330 -7.491 1.00 4.21 C ATOM 257 OG SER A 16 -2.044 8.712 -8.584 1.00 51.12 O ATOM 0 H SER A 16 -2.557 8.200 -4.269 1.00 52.31 H new ATOM 0 HA SER A 16 -1.386 8.760 -6.013 1.00 12.23 H new ATOM 0 HB2 SER A 16 -2.838 7.248 -7.363 1.00 4.21 H new ATOM 0 HB3 SER A 16 -3.911 8.590 -7.710 1.00 4.21 H new ATOM 0 HG SER A 16 -1.109 8.736 -8.291 1.00 51.12 H new ATOM 263 N HIS A 17 -3.586 11.181 -5.980 1.00 70.54 N ATOM 264 CA HIS A 17 -3.723 12.637 -6.069 1.00 44.44 C ATOM 265 C HIS A 17 -3.181 13.275 -4.770 1.00 34.15 C ATOM 266 O HIS A 17 -3.653 14.308 -4.301 1.00 0.43 O ATOM 267 CB HIS A 17 -5.207 12.998 -6.291 1.00 42.00 C ATOM 268 CG HIS A 17 -5.425 14.428 -6.693 1.00 62.22 C ATOM 269 ND1 HIS A 17 -5.215 14.871 -7.972 1.00 5.53 N ATOM 270 CD2 HIS A 17 -5.801 15.512 -5.982 1.00 65.40 C ATOM 271 CE1 HIS A 17 -5.445 16.157 -8.034 1.00 73.42 C ATOM 272 NE2 HIS A 17 -5.806 16.576 -6.840 1.00 33.12 N ATOM 0 H HIS A 17 -4.424 10.700 -5.654 1.00 70.54 H new ATOM 0 HA HIS A 17 -3.148 13.023 -6.911 1.00 44.44 H new ATOM 0 HB2 HIS A 17 -5.619 12.346 -7.061 1.00 42.00 H new ATOM 0 HB3 HIS A 17 -5.762 12.799 -5.374 1.00 42.00 H new ATOM 0 HD2 HIS A 17 -6.051 15.534 -4.932 1.00 65.40 H new ATOM 0 HE1 HIS A 17 -5.354 16.772 -8.917 1.00 73.42 H new ATOM 0 HE2 HIS A 17 -6.049 17.536 -6.595 1.00 33.12 H new ATOM 281 N VAL A 18 -2.140 12.687 -4.248 1.00 22.34 N ATOM 282 CA VAL A 18 -1.545 13.130 -3.025 1.00 21.43 C ATOM 283 C VAL A 18 -0.433 14.089 -3.366 1.00 51.05 C ATOM 284 O VAL A 18 0.390 13.804 -4.238 1.00 33.04 O ATOM 285 CB VAL A 18 -0.958 11.936 -2.233 1.00 33.01 C ATOM 286 CG1 VAL A 18 -0.383 12.387 -0.907 1.00 12.44 C ATOM 287 CG2 VAL A 18 -2.003 10.858 -2.026 1.00 54.35 C ATOM 0 H VAL A 18 -1.679 11.879 -4.667 1.00 22.34 H new ATOM 0 HA VAL A 18 -2.304 13.611 -2.408 1.00 21.43 H new ATOM 0 HB VAL A 18 -0.145 11.514 -2.824 1.00 33.01 H new ATOM 0 HG11 VAL A 18 0.021 11.526 -0.374 1.00 12.44 H new ATOM 0 HG12 VAL A 18 0.412 13.111 -1.083 1.00 12.44 H new ATOM 0 HG13 VAL A 18 -1.168 12.848 -0.308 1.00 12.44 H new ATOM 0 HG21 VAL A 18 -1.566 10.030 -1.467 1.00 54.35 H new ATOM 0 HG22 VAL A 18 -2.844 11.269 -1.467 1.00 54.35 H new ATOM 0 HG23 VAL A 18 -2.351 10.498 -2.994 1.00 54.35 H new ATOM 297 N ALA A 19 -0.440 15.223 -2.723 1.00 14.55 N ATOM 298 CA ALA A 19 0.549 16.239 -2.952 1.00 2.33 C ATOM 299 C ALA A 19 1.520 16.278 -1.790 1.00 13.42 C ATOM 300 O ALA A 19 1.122 16.061 -0.649 1.00 5.40 O ATOM 301 CB ALA A 19 -0.130 17.582 -3.121 1.00 44.12 C ATOM 0 H ALA A 19 -1.137 15.470 -2.020 1.00 14.55 H new ATOM 0 HA ALA A 19 1.103 16.010 -3.862 1.00 2.33 H new ATOM 0 HB1 ALA A 19 0.623 18.351 -3.295 1.00 44.12 H new ATOM 0 HB2 ALA A 19 -0.810 17.541 -3.972 1.00 44.12 H new ATOM 0 HB3 ALA A 19 -0.692 17.822 -2.218 1.00 44.12 H new ATOM 307 N ARG A 20 2.781 16.580 -2.077 1.00 44.41 N ATOM 308 CA ARG A 20 3.850 16.600 -1.076 1.00 55.41 C ATOM 309 C ARG A 20 3.536 17.550 0.086 1.00 44.10 C ATOM 310 O ARG A 20 3.746 17.207 1.261 1.00 22.32 O ATOM 311 CB ARG A 20 5.201 16.970 -1.734 1.00 73.22 C ATOM 312 CG ARG A 20 6.376 17.056 -0.760 1.00 0.23 C ATOM 313 CD ARG A 20 6.541 15.762 -0.003 1.00 53.20 C ATOM 314 NE ARG A 20 7.603 15.817 0.994 1.00 43.12 N ATOM 315 CZ ARG A 20 7.398 15.873 2.315 1.00 65.22 C ATOM 316 NH1 ARG A 20 6.160 16.045 2.799 1.00 71.23 N ATOM 317 NH2 ARG A 20 8.426 15.783 3.145 1.00 24.23 N ATOM 0 H ARG A 20 3.096 16.820 -3.017 1.00 44.41 H new ATOM 0 HA ARG A 20 3.923 15.596 -0.659 1.00 55.41 H new ATOM 0 HB2 ARG A 20 5.433 16.230 -2.500 1.00 73.22 H new ATOM 0 HB3 ARG A 20 5.094 17.929 -2.240 1.00 73.22 H new ATOM 0 HG2 ARG A 20 7.291 17.282 -1.307 1.00 0.23 H new ATOM 0 HG3 ARG A 20 6.214 17.874 -0.059 1.00 0.23 H new ATOM 0 HD2 ARG A 20 5.601 15.513 0.489 1.00 53.20 H new ATOM 0 HD3 ARG A 20 6.754 14.959 -0.709 1.00 53.20 H new ATOM 0 HE ARG A 20 8.568 15.812 0.662 1.00 43.12 H new ATOM 0 HH11 ARG A 20 5.370 16.134 2.160 1.00 71.23 H new ATOM 0 HH12 ARG A 20 6.008 16.087 3.807 1.00 71.23 H new ATOM 0 HH21 ARG A 20 9.371 15.671 2.777 1.00 24.23 H new ATOM 0 HH22 ARG A 20 8.273 15.825 4.153 1.00 24.23 H new ATOM 331 N ALA A 21 3.011 18.704 -0.241 1.00 43.23 N ATOM 332 CA ALA A 21 2.690 19.726 0.742 1.00 52.54 C ATOM 333 C ALA A 21 1.380 19.439 1.461 1.00 1.54 C ATOM 334 O ALA A 21 1.004 20.145 2.395 1.00 4.53 O ATOM 335 CB ALA A 21 2.619 21.070 0.081 1.00 74.20 C ATOM 0 H ALA A 21 2.790 18.969 -1.201 1.00 43.23 H new ATOM 0 HA ALA A 21 3.485 19.720 1.487 1.00 52.54 H new ATOM 0 HB1 ALA A 21 2.378 21.829 0.825 1.00 74.20 H new ATOM 0 HB2 ALA A 21 3.581 21.302 -0.376 1.00 74.20 H new ATOM 0 HB3 ALA A 21 1.846 21.057 -0.688 1.00 74.20 H new ATOM 341 N ASN A 22 0.678 18.422 1.029 1.00 44.30 N ATOM 342 CA ASN A 22 -0.574 18.050 1.671 1.00 3.35 C ATOM 343 C ASN A 22 -0.334 16.830 2.538 1.00 31.55 C ATOM 344 O ASN A 22 -1.232 16.303 3.172 1.00 22.12 O ATOM 345 CB ASN A 22 -1.681 17.793 0.618 1.00 61.42 C ATOM 346 CG ASN A 22 -3.066 17.501 1.224 1.00 44.02 C ATOM 347 OD1 ASN A 22 -3.408 17.974 2.320 1.00 55.34 O ATOM 348 ND2 ASN A 22 -3.865 16.741 0.514 1.00 30.34 N ATOM 0 H ASN A 22 0.944 17.834 0.239 1.00 44.30 H new ATOM 0 HA ASN A 22 -0.922 18.869 2.300 1.00 3.35 H new ATOM 0 HB2 ASN A 22 -1.757 18.663 -0.034 1.00 61.42 H new ATOM 0 HB3 ASN A 22 -1.385 16.951 -0.008 1.00 61.42 H new ATOM 0 HD21 ASN A 22 -4.800 16.522 0.858 1.00 30.34 H new ATOM 0 HD22 ASN A 22 -3.552 16.369 -0.383 1.00 30.34 H new ATOM 355 N VAL A 23 0.907 16.399 2.590 1.00 24.44 N ATOM 356 CA VAL A 23 1.242 15.246 3.402 1.00 44.52 C ATOM 357 C VAL A 23 1.702 15.653 4.796 1.00 41.32 C ATOM 358 O VAL A 23 2.719 16.324 4.968 1.00 50.02 O ATOM 359 CB VAL A 23 2.288 14.306 2.762 1.00 0.32 C ATOM 360 CG1 VAL A 23 2.609 13.172 3.703 1.00 33.24 C ATOM 361 CG2 VAL A 23 1.824 13.774 1.418 1.00 21.12 C ATOM 0 H VAL A 23 1.690 16.819 2.090 1.00 24.44 H new ATOM 0 HA VAL A 23 0.313 14.681 3.476 1.00 44.52 H new ATOM 0 HB VAL A 23 3.193 14.887 2.582 1.00 0.32 H new ATOM 0 HG11 VAL A 23 3.347 12.515 3.243 1.00 33.24 H new ATOM 0 HG12 VAL A 23 3.011 13.574 4.633 1.00 33.24 H new ATOM 0 HG13 VAL A 23 1.701 12.606 3.914 1.00 33.24 H new ATOM 0 HG21 VAL A 23 2.589 13.118 1.003 1.00 21.12 H new ATOM 0 HG22 VAL A 23 0.897 13.215 1.548 1.00 21.12 H new ATOM 0 HG23 VAL A 23 1.652 14.607 0.737 1.00 21.12 H new ATOM 371 N LYS A 24 0.927 15.243 5.760 1.00 72.00 N ATOM 372 CA LYS A 24 1.158 15.451 7.158 1.00 45.42 C ATOM 373 C LYS A 24 2.311 14.567 7.611 1.00 14.34 C ATOM 374 O LYS A 24 3.201 14.984 8.337 1.00 52.15 O ATOM 375 CB LYS A 24 -0.072 14.935 7.900 1.00 53.11 C ATOM 376 CG LYS A 24 -0.114 15.298 9.354 1.00 64.12 C ATOM 377 CD LYS A 24 -0.825 16.602 9.541 1.00 53.12 C ATOM 378 CE LYS A 24 -2.323 16.401 9.365 1.00 74.14 C ATOM 379 NZ LYS A 24 -3.118 17.596 9.720 1.00 54.11 N ATOM 0 H LYS A 24 0.068 14.725 5.578 1.00 72.00 H new ATOM 0 HA LYS A 24 1.365 16.504 7.348 1.00 45.42 H new ATOM 0 HB2 LYS A 24 -0.966 15.327 7.414 1.00 53.11 H new ATOM 0 HB3 LYS A 24 -0.109 13.850 7.808 1.00 53.11 H new ATOM 0 HG2 LYS A 24 -0.621 14.515 9.917 1.00 64.12 H new ATOM 0 HG3 LYS A 24 0.900 15.368 9.748 1.00 64.12 H new ATOM 0 HD2 LYS A 24 -0.616 17.002 10.533 1.00 53.12 H new ATOM 0 HD3 LYS A 24 -0.459 17.333 8.820 1.00 53.12 H new ATOM 0 HE2 LYS A 24 -2.527 16.132 8.329 1.00 74.14 H new ATOM 0 HE3 LYS A 24 -2.645 15.562 9.982 1.00 74.14 H new ATOM 0 HZ1 LYS A 24 -4.114 17.438 9.468 1.00 54.11 H new ATOM 0 HZ2 LYS A 24 -3.043 17.771 10.742 1.00 54.11 H new ATOM 0 HZ3 LYS A 24 -2.756 18.421 9.200 1.00 54.11 H new ATOM 393 N HIS A 25 2.261 13.340 7.152 1.00 63.25 N ATOM 394 CA HIS A 25 3.138 12.293 7.608 1.00 50.20 C ATOM 395 C HIS A 25 3.434 11.310 6.491 1.00 52.51 C ATOM 396 O HIS A 25 2.513 10.821 5.846 1.00 32.30 O ATOM 397 CB HIS A 25 2.426 11.575 8.784 1.00 14.33 C ATOM 398 CG HIS A 25 3.002 10.257 9.216 1.00 74.02 C ATOM 399 ND1 HIS A 25 3.734 10.084 10.357 1.00 62.10 N ATOM 400 CD2 HIS A 25 2.882 9.029 8.657 1.00 33.52 C ATOM 401 CE1 HIS A 25 4.043 8.814 10.490 1.00 64.40 C ATOM 402 NE2 HIS A 25 3.534 8.148 9.470 1.00 23.41 N ATOM 0 H HIS A 25 1.598 13.037 6.439 1.00 63.25 H new ATOM 0 HA HIS A 25 4.091 12.712 7.930 1.00 50.20 H new ATOM 0 HB2 HIS A 25 2.428 12.245 9.643 1.00 14.33 H new ATOM 0 HB3 HIS A 25 1.384 11.416 8.506 1.00 14.33 H new ATOM 0 HD1 HIS A 25 3.999 10.826 11.005 1.00 62.10 H new ATOM 0 HD2 HIS A 25 2.366 8.791 7.738 1.00 33.52 H new ATOM 0 HE1 HIS A 25 4.617 8.386 11.298 1.00 64.40 H new ATOM 411 N LEU A 26 4.706 11.025 6.279 1.00 11.15 N ATOM 412 CA LEU A 26 5.126 10.004 5.333 1.00 40.53 C ATOM 413 C LEU A 26 5.452 8.713 6.058 1.00 3.45 C ATOM 414 O LEU A 26 5.965 8.740 7.172 1.00 61.14 O ATOM 415 CB LEU A 26 6.360 10.409 4.532 1.00 13.21 C ATOM 416 CG LEU A 26 6.220 11.464 3.447 1.00 51.21 C ATOM 417 CD1 LEU A 26 5.183 11.084 2.404 1.00 31.11 C ATOM 418 CD2 LEU A 26 6.048 12.864 3.987 1.00 32.21 C ATOM 0 H LEU A 26 5.477 11.493 6.756 1.00 11.15 H new ATOM 0 HA LEU A 26 4.290 9.872 4.646 1.00 40.53 H new ATOM 0 HB2 LEU A 26 7.110 10.762 5.239 1.00 13.21 H new ATOM 0 HB3 LEU A 26 6.760 9.509 4.066 1.00 13.21 H new ATOM 0 HG LEU A 26 7.176 11.488 2.925 1.00 51.21 H new ATOM 0 HD11 LEU A 26 5.120 11.869 1.651 1.00 31.11 H new ATOM 0 HD12 LEU A 26 5.472 10.147 1.928 1.00 31.11 H new ATOM 0 HD13 LEU A 26 4.212 10.963 2.884 1.00 31.11 H new ATOM 0 HD21 LEU A 26 5.954 13.565 3.158 1.00 32.21 H new ATOM 0 HD22 LEU A 26 5.150 12.909 4.603 1.00 32.21 H new ATOM 0 HD23 LEU A 26 6.916 13.130 4.591 1.00 32.21 H new ATOM 430 N LYS A 27 5.117 7.612 5.454 1.00 44.23 N ATOM 431 CA LYS A 27 5.451 6.295 5.947 1.00 20.23 C ATOM 432 C LYS A 27 5.710 5.399 4.760 1.00 31.13 C ATOM 433 O LYS A 27 4.911 5.355 3.856 1.00 73.33 O ATOM 434 CB LYS A 27 4.299 5.718 6.797 1.00 34.15 C ATOM 435 CG LYS A 27 4.511 4.263 7.238 1.00 61.04 C ATOM 436 CD LYS A 27 5.808 4.077 8.028 1.00 61.53 C ATOM 437 CE LYS A 27 5.784 4.795 9.367 1.00 53.33 C ATOM 438 NZ LYS A 27 4.761 4.242 10.269 1.00 41.41 N ATOM 0 H LYS A 27 4.590 7.597 4.581 1.00 44.23 H new ATOM 0 HA LYS A 27 6.336 6.357 6.580 1.00 20.23 H new ATOM 0 HB2 LYS A 27 4.170 6.339 7.683 1.00 34.15 H new ATOM 0 HB3 LYS A 27 3.373 5.781 6.225 1.00 34.15 H new ATOM 0 HG2 LYS A 27 3.667 3.945 7.850 1.00 61.04 H new ATOM 0 HG3 LYS A 27 4.528 3.618 6.359 1.00 61.04 H new ATOM 0 HD2 LYS A 27 5.979 3.013 8.193 1.00 61.53 H new ATOM 0 HD3 LYS A 27 6.646 4.447 7.437 1.00 61.53 H new ATOM 0 HE2 LYS A 27 6.764 4.717 9.838 1.00 53.33 H new ATOM 0 HE3 LYS A 27 5.591 5.856 9.207 1.00 53.33 H new ATOM 0 HZ1 LYS A 27 4.908 4.613 11.230 1.00 41.41 H new ATOM 0 HZ2 LYS A 27 3.816 4.517 9.933 1.00 41.41 H new ATOM 0 HZ3 LYS A 27 4.835 3.205 10.283 1.00 41.41 H new ATOM 452 N ILE A 28 6.810 4.708 4.740 1.00 63.01 N ATOM 453 CA ILE A 28 7.071 3.830 3.623 1.00 22.42 C ATOM 454 C ILE A 28 6.952 2.391 4.082 1.00 24.33 C ATOM 455 O ILE A 28 7.598 1.988 5.053 1.00 31.30 O ATOM 456 CB ILE A 28 8.470 4.056 3.002 1.00 63.02 C ATOM 457 CG1 ILE A 28 8.694 5.538 2.772 1.00 13.14 C ATOM 458 CG2 ILE A 28 8.560 3.354 1.660 1.00 5.35 C ATOM 459 CD1 ILE A 28 9.942 5.839 1.993 1.00 13.33 C ATOM 0 H ILE A 28 7.530 4.728 5.462 1.00 63.01 H new ATOM 0 HA ILE A 28 6.334 4.054 2.852 1.00 22.42 H new ATOM 0 HB ILE A 28 9.221 3.659 3.686 1.00 63.02 H new ATOM 0 HG12 ILE A 28 7.835 5.950 2.241 1.00 13.14 H new ATOM 0 HG13 ILE A 28 8.746 6.044 3.736 1.00 13.14 H new ATOM 0 HG21 ILE A 28 9.548 3.518 1.229 1.00 5.35 H new ATOM 0 HG22 ILE A 28 8.397 2.285 1.797 1.00 5.35 H new ATOM 0 HG23 ILE A 28 7.800 3.754 0.988 1.00 5.35 H new ATOM 0 HD11 ILE A 28 10.040 6.917 1.865 1.00 13.33 H new ATOM 0 HD12 ILE A 28 10.809 5.457 2.533 1.00 13.33 H new ATOM 0 HD13 ILE A 28 9.884 5.361 1.015 1.00 13.33 H new ATOM 471 N LEU A 29 6.124 1.630 3.413 1.00 14.11 N ATOM 472 CA LEU A 29 5.918 0.249 3.759 1.00 43.04 C ATOM 473 C LEU A 29 6.379 -0.651 2.631 1.00 40.30 C ATOM 474 O LEU A 29 5.850 -0.609 1.520 1.00 32.03 O ATOM 475 CB LEU A 29 4.438 -0.029 4.078 1.00 13.45 C ATOM 476 CG LEU A 29 3.824 0.748 5.252 1.00 45.11 C ATOM 477 CD1 LEU A 29 2.366 0.371 5.429 1.00 32.12 C ATOM 478 CD2 LEU A 29 4.594 0.490 6.540 1.00 50.12 C ATOM 0 H LEU A 29 5.575 1.950 2.615 1.00 14.11 H new ATOM 0 HA LEU A 29 6.507 0.037 4.651 1.00 43.04 H new ATOM 0 HB2 LEU A 29 3.852 0.186 3.185 1.00 13.45 H new ATOM 0 HB3 LEU A 29 4.329 -1.094 4.282 1.00 13.45 H new ATOM 0 HG LEU A 29 3.889 1.812 5.024 1.00 45.11 H new ATOM 0 HD11 LEU A 29 1.945 0.930 6.265 1.00 32.12 H new ATOM 0 HD12 LEU A 29 1.816 0.609 4.519 1.00 32.12 H new ATOM 0 HD13 LEU A 29 2.288 -0.697 5.631 1.00 32.12 H new ATOM 0 HD21 LEU A 29 4.138 1.052 7.355 1.00 50.12 H new ATOM 0 HD22 LEU A 29 4.566 -0.574 6.773 1.00 50.12 H new ATOM 0 HD23 LEU A 29 5.629 0.807 6.415 1.00 50.12 H new ATOM 490 N ASN A 30 7.376 -1.432 2.901 1.00 72.44 N ATOM 491 CA ASN A 30 7.857 -2.387 1.938 1.00 52.32 C ATOM 492 C ASN A 30 7.293 -3.737 2.267 1.00 55.11 C ATOM 493 O ASN A 30 7.499 -4.256 3.372 1.00 21.22 O ATOM 494 CB ASN A 30 9.387 -2.453 1.916 1.00 4.22 C ATOM 495 CG ASN A 30 9.912 -3.477 0.915 1.00 1.34 C ATOM 496 OD1 ASN A 30 9.290 -3.744 -0.115 1.00 44.35 O ATOM 497 ND2 ASN A 30 11.041 -4.055 1.209 1.00 12.41 N ATOM 0 H ASN A 30 7.881 -1.431 3.787 1.00 72.44 H new ATOM 0 HA ASN A 30 7.530 -2.070 0.948 1.00 52.32 H new ATOM 0 HB2 ASN A 30 9.787 -1.470 1.668 1.00 4.22 H new ATOM 0 HB3 ASN A 30 9.751 -2.704 2.912 1.00 4.22 H new ATOM 0 HD21 ASN A 30 11.436 -4.752 0.578 1.00 12.41 H new ATOM 0 HD22 ASN A 30 11.530 -3.811 2.070 1.00 12.41 H new ATOM 504 N THR A 31 6.576 -4.288 1.356 1.00 65.11 N ATOM 505 CA THR A 31 6.002 -5.574 1.539 1.00 65.45 C ATOM 506 C THR A 31 6.806 -6.591 0.740 1.00 73.31 C ATOM 507 O THR A 31 6.916 -6.464 -0.493 1.00 22.23 O ATOM 508 CB THR A 31 4.565 -5.570 1.054 1.00 21.24 C ATOM 509 OG1 THR A 31 3.866 -4.515 1.698 1.00 12.30 O ATOM 510 CG2 THR A 31 3.877 -6.881 1.356 1.00 32.24 C ATOM 0 H THR A 31 6.369 -3.857 0.455 1.00 65.11 H new ATOM 0 HA THR A 31 6.019 -5.835 2.597 1.00 65.45 H new ATOM 0 HB THR A 31 4.565 -5.429 -0.027 1.00 21.24 H new ATOM 0 HG1 THR A 31 3.608 -4.797 2.600 1.00 12.30 H new ATOM 0 HG21 THR A 31 2.849 -6.844 0.995 1.00 32.24 H new ATOM 0 HG22 THR A 31 4.407 -7.693 0.859 1.00 32.24 H new ATOM 0 HG23 THR A 31 3.878 -7.053 2.432 1.00 32.24 H new ATOM 518 N PRO A 32 7.373 -7.603 1.428 1.00 32.32 N ATOM 519 CA PRO A 32 8.227 -8.632 0.811 1.00 21.34 C ATOM 520 C PRO A 32 7.594 -9.260 -0.421 1.00 24.42 C ATOM 521 O PRO A 32 8.228 -9.374 -1.467 1.00 73.14 O ATOM 522 CB PRO A 32 8.365 -9.690 1.911 1.00 73.04 C ATOM 523 CG PRO A 32 8.158 -8.953 3.186 1.00 4.45 C ATOM 524 CD PRO A 32 7.219 -7.819 2.881 1.00 54.54 C ATOM 0 HA PRO A 32 9.172 -8.210 0.470 1.00 21.34 H new ATOM 0 HB2 PRO A 32 7.627 -10.483 1.790 1.00 73.04 H new ATOM 0 HB3 PRO A 32 9.347 -10.162 1.883 1.00 73.04 H new ATOM 0 HG2 PRO A 32 7.738 -9.609 3.949 1.00 4.45 H new ATOM 0 HG3 PRO A 32 9.105 -8.578 3.574 1.00 4.45 H new ATOM 0 HD2 PRO A 32 6.191 -8.073 3.139 1.00 54.54 H new ATOM 0 HD3 PRO A 32 7.478 -6.924 3.447 1.00 54.54 H new ATOM 532 N ASN A 33 6.334 -9.624 -0.309 1.00 34.32 N ATOM 533 CA ASN A 33 5.651 -10.300 -1.393 1.00 41.04 C ATOM 534 C ASN A 33 4.847 -9.354 -2.270 1.00 61.33 C ATOM 535 O ASN A 33 3.984 -9.795 -3.022 1.00 54.34 O ATOM 536 CB ASN A 33 4.770 -11.443 -0.871 1.00 31.33 C ATOM 537 CG ASN A 33 5.581 -12.539 -0.204 1.00 51.51 C ATOM 538 OD1 ASN A 33 6.045 -13.473 -0.854 1.00 32.12 O ATOM 539 ND2 ASN A 33 5.751 -12.449 1.087 1.00 53.43 N ATOM 0 H ASN A 33 5.762 -9.464 0.520 1.00 34.32 H new ATOM 0 HA ASN A 33 6.431 -10.725 -2.025 1.00 41.04 H new ATOM 0 HB2 ASN A 33 4.047 -11.045 -0.159 1.00 31.33 H new ATOM 0 HB3 ASN A 33 4.202 -11.867 -1.699 1.00 31.33 H new ATOM 0 HD21 ASN A 33 6.281 -13.166 1.583 1.00 53.43 H new ATOM 0 HD22 ASN A 33 5.354 -11.662 1.600 1.00 53.43 H new ATOM 546 N CYS A 34 5.129 -8.067 -2.211 1.00 14.03 N ATOM 547 CA CYS A 34 4.440 -7.142 -3.102 1.00 74.34 C ATOM 548 C CYS A 34 5.408 -6.202 -3.801 1.00 14.33 C ATOM 549 O CYS A 34 5.926 -6.521 -4.878 1.00 24.45 O ATOM 550 CB CYS A 34 3.325 -6.337 -2.409 1.00 31.40 C ATOM 551 SG CYS A 34 1.989 -7.317 -1.664 1.00 72.33 S ATOM 0 H CYS A 34 5.808 -7.643 -1.578 1.00 14.03 H new ATOM 0 HA CYS A 34 3.960 -7.773 -3.850 1.00 74.34 H new ATOM 0 HB2 CYS A 34 3.777 -5.722 -1.630 1.00 31.40 H new ATOM 0 HB3 CYS A 34 2.887 -5.656 -3.139 1.00 31.40 H new ATOM 556 N ALA A 35 5.692 -5.077 -3.150 1.00 10.14 N ATOM 557 CA ALA A 35 6.514 -4.012 -3.682 1.00 24.23 C ATOM 558 C ALA A 35 6.481 -2.881 -2.690 1.00 11.55 C ATOM 559 O ALA A 35 5.895 -3.034 -1.590 1.00 63.32 O ATOM 560 CB ALA A 35 5.948 -3.517 -5.016 1.00 10.13 C ATOM 0 H ALA A 35 5.343 -4.883 -2.211 1.00 10.14 H new ATOM 0 HA ALA A 35 7.530 -4.371 -3.847 1.00 24.23 H new ATOM 0 HB1 ALA A 35 6.577 -2.716 -5.403 1.00 10.13 H new ATOM 0 HB2 ALA A 35 5.927 -4.340 -5.730 1.00 10.13 H new ATOM 0 HB3 ALA A 35 4.936 -3.142 -4.865 1.00 10.13 H new ATOM 566 N LEU A 36 7.078 -1.765 -3.054 1.00 61.11 N ATOM 567 CA LEU A 36 7.031 -0.577 -2.233 1.00 64.15 C ATOM 568 C LEU A 36 5.704 0.087 -2.299 1.00 2.14 C ATOM 569 O LEU A 36 5.064 0.156 -3.351 1.00 3.23 O ATOM 570 CB LEU A 36 8.141 0.429 -2.544 1.00 60.30 C ATOM 571 CG LEU A 36 9.506 0.190 -1.890 1.00 73.00 C ATOM 572 CD1 LEU A 36 9.403 0.304 -0.379 1.00 51.24 C ATOM 573 CD2 LEU A 36 10.094 -1.140 -2.283 1.00 73.20 C ATOM 0 H LEU A 36 7.605 -1.658 -3.921 1.00 61.11 H new ATOM 0 HA LEU A 36 7.200 -0.929 -1.215 1.00 64.15 H new ATOM 0 HB2 LEU A 36 8.283 0.452 -3.624 1.00 60.30 H new ATOM 0 HB3 LEU A 36 7.793 1.418 -2.248 1.00 60.30 H new ATOM 0 HG LEU A 36 10.181 0.964 -2.255 1.00 73.00 H new ATOM 0 HD11 LEU A 36 10.383 0.131 0.067 1.00 51.24 H new ATOM 0 HD12 LEU A 36 9.054 1.302 -0.112 1.00 51.24 H new ATOM 0 HD13 LEU A 36 8.698 -0.439 -0.005 1.00 51.24 H new ATOM 0 HD21 LEU A 36 11.061 -1.268 -1.797 1.00 73.20 H new ATOM 0 HD22 LEU A 36 9.423 -1.941 -1.972 1.00 73.20 H new ATOM 0 HD23 LEU A 36 10.224 -1.175 -3.365 1.00 73.20 H new ATOM 585 N GLN A 37 5.307 0.554 -1.176 1.00 61.41 N ATOM 586 CA GLN A 37 4.046 1.221 -0.963 1.00 13.23 C ATOM 587 C GLN A 37 4.272 2.338 -0.003 1.00 33.31 C ATOM 588 O GLN A 37 4.901 2.147 1.032 1.00 71.52 O ATOM 589 CB GLN A 37 3.051 0.243 -0.388 1.00 20.20 C ATOM 590 CG GLN A 37 2.626 -0.805 -1.376 1.00 53.34 C ATOM 591 CD GLN A 37 2.166 -2.020 -0.697 1.00 54.12 C ATOM 592 OE1 GLN A 37 0.986 -2.189 -0.374 1.00 1.03 O ATOM 593 NE2 GLN A 37 3.099 -2.881 -0.458 1.00 2.34 N ATOM 0 H GLN A 37 5.869 0.486 -0.328 1.00 61.41 H new ATOM 0 HA GLN A 37 3.653 1.608 -1.903 1.00 13.23 H new ATOM 0 HB2 GLN A 37 3.489 -0.243 0.484 1.00 20.20 H new ATOM 0 HB3 GLN A 37 2.172 0.787 -0.042 1.00 20.20 H new ATOM 0 HG2 GLN A 37 1.827 -0.412 -2.005 1.00 53.34 H new ATOM 0 HG3 GLN A 37 3.460 -1.047 -2.034 1.00 53.34 H new ATOM 0 HE21 GLN A 37 4.058 -2.688 -0.748 1.00 2.34 H new ATOM 0 HE22 GLN A 37 2.877 -3.754 0.021 1.00 2.34 H new ATOM 602 N ILE A 38 3.817 3.497 -0.322 1.00 13.31 N ATOM 603 CA ILE A 38 4.068 4.607 0.541 1.00 14.41 C ATOM 604 C ILE A 38 2.764 5.112 1.099 1.00 70.33 C ATOM 605 O ILE A 38 1.785 5.202 0.396 1.00 3.50 O ATOM 606 CB ILE A 38 4.882 5.717 -0.184 1.00 0.33 C ATOM 607 CG1 ILE A 38 6.113 5.043 -0.809 1.00 35.41 C ATOM 608 CG2 ILE A 38 5.321 6.790 0.815 1.00 34.04 C ATOM 609 CD1 ILE A 38 7.132 5.955 -1.427 1.00 52.22 C ATOM 0 H ILE A 38 3.276 3.706 -1.161 1.00 13.31 H new ATOM 0 HA ILE A 38 4.688 4.282 1.377 1.00 14.41 H new ATOM 0 HB ILE A 38 4.275 6.202 -0.949 1.00 0.33 H new ATOM 0 HG12 ILE A 38 6.607 4.452 -0.038 1.00 35.41 H new ATOM 0 HG13 ILE A 38 5.770 4.346 -1.574 1.00 35.41 H new ATOM 0 HG21 ILE A 38 5.890 7.561 0.295 1.00 34.04 H new ATOM 0 HG22 ILE A 38 4.442 7.238 1.278 1.00 34.04 H new ATOM 0 HG23 ILE A 38 5.945 6.337 1.585 1.00 34.04 H new ATOM 0 HD11 ILE A 38 7.952 5.362 -1.833 1.00 52.22 H new ATOM 0 HD12 ILE A 38 6.668 6.530 -2.228 1.00 52.22 H new ATOM 0 HD13 ILE A 38 7.518 6.636 -0.669 1.00 52.22 H new ATOM 621 N VAL A 39 2.752 5.388 2.357 1.00 23.44 N ATOM 622 CA VAL A 39 1.559 5.803 3.060 1.00 1.52 C ATOM 623 C VAL A 39 1.711 7.234 3.542 1.00 22.44 C ATOM 624 O VAL A 39 2.789 7.635 3.986 1.00 42.34 O ATOM 625 CB VAL A 39 1.280 4.861 4.277 1.00 52.10 C ATOM 626 CG1 VAL A 39 0.071 5.314 5.085 1.00 51.11 C ATOM 627 CG2 VAL A 39 1.092 3.425 3.809 1.00 41.05 C ATOM 0 H VAL A 39 3.581 5.335 2.949 1.00 23.44 H new ATOM 0 HA VAL A 39 0.716 5.743 2.372 1.00 1.52 H new ATOM 0 HB VAL A 39 2.151 4.913 4.931 1.00 52.10 H new ATOM 0 HG11 VAL A 39 -0.085 4.631 5.920 1.00 51.11 H new ATOM 0 HG12 VAL A 39 0.245 6.320 5.467 1.00 51.11 H new ATOM 0 HG13 VAL A 39 -0.813 5.316 4.447 1.00 51.11 H new ATOM 0 HG21 VAL A 39 0.899 2.784 4.669 1.00 41.05 H new ATOM 0 HG22 VAL A 39 0.248 3.374 3.122 1.00 41.05 H new ATOM 0 HG23 VAL A 39 1.995 3.087 3.300 1.00 41.05 H new ATOM 637 N ALA A 40 0.658 8.001 3.431 1.00 54.12 N ATOM 638 CA ALA A 40 0.670 9.352 3.890 1.00 41.21 C ATOM 639 C ALA A 40 -0.594 9.711 4.596 1.00 15.44 C ATOM 640 O ALA A 40 -1.613 9.069 4.458 1.00 50.24 O ATOM 641 CB ALA A 40 0.859 10.279 2.751 1.00 24.31 C ATOM 0 H ALA A 40 -0.226 7.701 3.020 1.00 54.12 H new ATOM 0 HA ALA A 40 1.498 9.443 4.593 1.00 41.21 H new ATOM 0 HB1 ALA A 40 0.866 11.306 3.115 1.00 24.31 H new ATOM 0 HB2 ALA A 40 1.807 10.062 2.259 1.00 24.31 H new ATOM 0 HB3 ALA A 40 0.043 10.152 2.039 1.00 24.31 H new ATOM 647 N ARG A 41 -0.501 10.719 5.364 1.00 72.05 N ATOM 648 CA ARG A 41 -1.604 11.286 6.053 1.00 73.43 C ATOM 649 C ARG A 41 -1.813 12.671 5.472 1.00 4.25 C ATOM 650 O ARG A 41 -0.854 13.390 5.293 1.00 44.45 O ATOM 651 CB ARG A 41 -1.255 11.326 7.524 1.00 32.30 C ATOM 652 CG ARG A 41 -2.297 11.870 8.469 1.00 52.12 C ATOM 653 CD ARG A 41 -3.580 11.089 8.481 1.00 44.13 C ATOM 654 NE ARG A 41 -4.423 11.544 9.592 1.00 13.04 N ATOM 655 CZ ARG A 41 -5.543 10.962 10.035 1.00 4.42 C ATOM 656 NH1 ARG A 41 -6.065 9.913 9.403 1.00 21.40 N ATOM 657 NH2 ARG A 41 -6.146 11.443 11.119 1.00 3.22 N ATOM 0 H ARG A 41 0.381 11.199 5.544 1.00 72.05 H new ATOM 0 HA ARG A 41 -2.525 10.714 5.943 1.00 73.43 H new ATOM 0 HB2 ARG A 41 -1.010 10.312 7.840 1.00 32.30 H new ATOM 0 HB3 ARG A 41 -0.350 11.923 7.640 1.00 32.30 H new ATOM 0 HG2 ARG A 41 -1.884 11.886 9.478 1.00 52.12 H new ATOM 0 HG3 ARG A 41 -2.515 12.903 8.197 1.00 52.12 H new ATOM 0 HD2 ARG A 41 -4.106 11.220 7.535 1.00 44.13 H new ATOM 0 HD3 ARG A 41 -3.369 10.025 8.584 1.00 44.13 H new ATOM 0 HE ARG A 41 -4.125 12.391 10.076 1.00 13.04 H new ATOM 0 HH11 ARG A 41 -5.610 9.542 8.569 1.00 21.40 H new ATOM 0 HH12 ARG A 41 -6.920 9.480 9.753 1.00 21.40 H new ATOM 0 HH21 ARG A 41 -5.754 12.249 11.605 1.00 3.22 H new ATOM 0 HH22 ARG A 41 -7.000 11.005 11.464 1.00 3.22 H new ATOM 671 N LEU A 42 -3.024 13.030 5.141 1.00 41.35 N ATOM 672 CA LEU A 42 -3.276 14.319 4.506 1.00 71.10 C ATOM 673 C LEU A 42 -3.496 15.438 5.530 1.00 12.04 C ATOM 674 O LEU A 42 -4.060 15.210 6.592 1.00 41.45 O ATOM 675 CB LEU A 42 -4.442 14.199 3.530 1.00 61.13 C ATOM 676 CG LEU A 42 -4.233 13.190 2.388 1.00 51.22 C ATOM 677 CD1 LEU A 42 -5.445 13.120 1.495 1.00 52.41 C ATOM 678 CD2 LEU A 42 -2.998 13.539 1.570 1.00 33.31 C ATOM 0 H LEU A 42 -3.855 12.459 5.295 1.00 41.35 H new ATOM 0 HA LEU A 42 -2.385 14.600 3.944 1.00 71.10 H new ATOM 0 HB2 LEU A 42 -5.335 13.914 4.087 1.00 61.13 H new ATOM 0 HB3 LEU A 42 -4.636 15.180 3.097 1.00 61.13 H new ATOM 0 HG LEU A 42 -4.083 12.210 2.841 1.00 51.22 H new ATOM 0 HD11 LEU A 42 -5.268 12.399 0.697 1.00 52.41 H new ATOM 0 HD12 LEU A 42 -6.310 12.809 2.080 1.00 52.41 H new ATOM 0 HD13 LEU A 42 -5.634 14.102 1.061 1.00 52.41 H new ATOM 0 HD21 LEU A 42 -2.874 12.810 0.770 1.00 33.31 H new ATOM 0 HD22 LEU A 42 -3.116 14.534 1.140 1.00 33.31 H new ATOM 0 HD23 LEU A 42 -2.119 13.524 2.214 1.00 33.31 H new ATOM 690 N LYS A 43 -3.009 16.636 5.207 1.00 23.12 N ATOM 691 CA LYS A 43 -3.103 17.793 6.091 1.00 13.23 C ATOM 692 C LYS A 43 -4.412 18.541 5.958 1.00 74.31 C ATOM 693 O LYS A 43 -4.978 18.975 6.957 1.00 12.23 O ATOM 694 CB LYS A 43 -1.964 18.789 5.813 1.00 74.05 C ATOM 695 CG LYS A 43 -0.572 18.210 5.925 1.00 21.52 C ATOM 696 CD LYS A 43 0.517 19.273 5.781 1.00 73.14 C ATOM 697 CE LYS A 43 0.469 20.281 6.924 1.00 11.21 C ATOM 698 NZ LYS A 43 1.554 21.280 6.836 1.00 3.21 N ATOM 0 H LYS A 43 -2.538 16.830 4.323 1.00 23.12 H new ATOM 0 HA LYS A 43 -3.034 17.390 7.101 1.00 13.23 H new ATOM 0 HB2 LYS A 43 -2.093 19.196 4.810 1.00 74.05 H new ATOM 0 HB3 LYS A 43 -2.052 19.623 6.509 1.00 74.05 H new ATOM 0 HG2 LYS A 43 -0.465 17.713 6.889 1.00 21.52 H new ATOM 0 HG3 LYS A 43 -0.436 17.448 5.157 1.00 21.52 H new ATOM 0 HD2 LYS A 43 1.495 18.793 5.759 1.00 73.14 H new ATOM 0 HD3 LYS A 43 0.396 19.793 4.831 1.00 73.14 H new ATOM 0 HE2 LYS A 43 -0.494 20.792 6.915 1.00 11.21 H new ATOM 0 HE3 LYS A 43 0.541 19.753 7.875 1.00 11.21 H new ATOM 0 HZ1 LYS A 43 1.481 21.943 7.633 1.00 3.21 H new ATOM 0 HZ2 LYS A 43 2.474 20.797 6.871 1.00 3.21 H new ATOM 0 HZ3 LYS A 43 1.472 21.804 5.941 1.00 3.21 H new ATOM 712 N ASN A 44 -4.903 18.692 4.746 1.00 41.23 N ATOM 713 CA ASN A 44 -6.084 19.523 4.546 1.00 3.23 C ATOM 714 C ASN A 44 -7.384 18.812 4.892 1.00 54.44 C ATOM 715 O ASN A 44 -8.247 19.375 5.571 1.00 30.24 O ATOM 716 CB ASN A 44 -6.126 20.115 3.129 1.00 55.04 C ATOM 717 CG ASN A 44 -7.352 20.990 2.897 1.00 1.05 C ATOM 718 OD1 ASN A 44 -7.339 22.187 3.195 1.00 33.31 O ATOM 719 ND2 ASN A 44 -8.382 20.427 2.333 1.00 0.25 N ATOM 0 H ASN A 44 -4.520 18.266 3.902 1.00 41.23 H new ATOM 0 HA ASN A 44 -5.993 20.348 5.252 1.00 3.23 H new ATOM 0 HB2 ASN A 44 -5.225 20.705 2.959 1.00 55.04 H new ATOM 0 HB3 ASN A 44 -6.119 19.305 2.400 1.00 55.04 H new ATOM 0 HD21 ASN A 44 -9.214 20.979 2.124 1.00 0.25 H new ATOM 0 HD22 ASN A 44 -8.357 19.434 2.101 1.00 0.25 H new ATOM 726 N ASN A 45 -7.525 17.591 4.458 1.00 2.54 N ATOM 727 CA ASN A 45 -8.744 16.830 4.730 1.00 73.34 C ATOM 728 C ASN A 45 -8.518 15.770 5.801 1.00 1.44 C ATOM 729 O ASN A 45 -9.439 15.031 6.163 1.00 30.24 O ATOM 730 CB ASN A 45 -9.345 16.238 3.435 1.00 35.34 C ATOM 731 CG ASN A 45 -8.410 15.300 2.702 1.00 11.44 C ATOM 732 OD1 ASN A 45 -7.198 15.411 2.807 1.00 4.22 O ATOM 733 ND2 ASN A 45 -8.957 14.405 1.924 1.00 73.24 N ATOM 0 H ASN A 45 -6.822 17.090 3.915 1.00 2.54 H new ATOM 0 HA ASN A 45 -9.482 17.525 5.130 1.00 73.34 H new ATOM 0 HB2 ASN A 45 -10.262 15.703 3.682 1.00 35.34 H new ATOM 0 HB3 ASN A 45 -9.623 17.054 2.768 1.00 35.34 H new ATOM 0 HD21 ASN A 45 -8.368 13.773 1.382 1.00 73.24 H new ATOM 0 HD22 ASN A 45 -9.973 14.338 1.859 1.00 73.24 H new ATOM 740 N ASN A 46 -7.280 15.709 6.296 1.00 52.31 N ATOM 741 CA ASN A 46 -6.887 14.854 7.443 1.00 44.21 C ATOM 742 C ASN A 46 -7.176 13.357 7.293 1.00 4.43 C ATOM 743 O ASN A 46 -7.350 12.672 8.289 1.00 5.40 O ATOM 744 CB ASN A 46 -7.491 15.383 8.765 1.00 45.50 C ATOM 745 CG ASN A 46 -6.866 16.689 9.247 1.00 34.34 C ATOM 746 OD1 ASN A 46 -5.681 16.959 9.015 1.00 61.45 O ATOM 747 ND2 ASN A 46 -7.646 17.503 9.917 1.00 22.20 N ATOM 0 H ASN A 46 -6.506 16.254 5.915 1.00 52.31 H new ATOM 0 HA ASN A 46 -5.800 14.930 7.464 1.00 44.21 H new ATOM 0 HB2 ASN A 46 -8.562 15.531 8.631 1.00 45.50 H new ATOM 0 HB3 ASN A 46 -7.369 14.625 9.539 1.00 45.50 H new ATOM 0 HD21 ASN A 46 -7.280 18.390 10.264 1.00 22.20 H new ATOM 0 HD22 ASN A 46 -8.619 17.250 10.091 1.00 22.20 H new ATOM 754 N ARG A 47 -7.194 12.824 6.084 1.00 74.23 N ATOM 755 CA ARG A 47 -7.383 11.393 5.956 1.00 30.23 C ATOM 756 C ARG A 47 -6.054 10.705 5.703 1.00 2.12 C ATOM 757 O ARG A 47 -5.143 11.312 5.151 1.00 32.04 O ATOM 758 CB ARG A 47 -8.408 11.024 4.889 1.00 1.03 C ATOM 759 CG ARG A 47 -8.041 11.349 3.464 1.00 13.23 C ATOM 760 CD ARG A 47 -9.105 10.788 2.506 1.00 62.04 C ATOM 761 NE ARG A 47 -8.804 11.004 1.070 1.00 1.13 N ATOM 762 CZ ARG A 47 -9.179 10.160 0.076 1.00 24.23 C ATOM 763 NH1 ARG A 47 -9.815 9.026 0.362 1.00 24.34 N ATOM 764 NH2 ARG A 47 -8.912 10.456 -1.189 1.00 12.01 N ATOM 0 H ARG A 47 -7.085 13.337 5.209 1.00 74.23 H new ATOM 0 HA ARG A 47 -7.789 11.037 6.903 1.00 30.23 H new ATOM 0 HB2 ARG A 47 -8.600 9.953 4.956 1.00 1.03 H new ATOM 0 HB3 ARG A 47 -9.344 11.531 5.125 1.00 1.03 H new ATOM 0 HG2 ARG A 47 -7.959 12.429 3.338 1.00 13.23 H new ATOM 0 HG3 ARG A 47 -7.065 10.926 3.225 1.00 13.23 H new ATOM 0 HD2 ARG A 47 -9.212 9.718 2.686 1.00 62.04 H new ATOM 0 HD3 ARG A 47 -10.065 11.248 2.738 1.00 62.04 H new ATOM 0 HE ARG A 47 -8.281 11.841 0.813 1.00 1.13 H new ATOM 0 HH11 ARG A 47 -10.023 8.788 1.332 1.00 24.34 H new ATOM 0 HH12 ARG A 47 -10.095 8.395 -0.389 1.00 24.34 H new ATOM 0 HH21 ARG A 47 -8.423 11.321 -1.418 1.00 12.01 H new ATOM 0 HH22 ARG A 47 -9.196 9.818 -1.933 1.00 12.01 H new ATOM 778 N GLN A 48 -5.921 9.465 6.135 1.00 12.43 N ATOM 779 CA GLN A 48 -4.722 8.730 5.908 1.00 43.12 C ATOM 780 C GLN A 48 -4.899 7.968 4.596 1.00 24.41 C ATOM 781 O GLN A 48 -5.926 7.324 4.397 1.00 30.33 O ATOM 782 CB GLN A 48 -4.501 7.743 7.039 1.00 52.12 C ATOM 783 CG GLN A 48 -3.159 7.092 6.989 1.00 54.34 C ATOM 784 CD GLN A 48 -2.939 6.096 8.103 1.00 64.20 C ATOM 785 OE1 GLN A 48 -3.875 5.442 8.573 1.00 2.33 O ATOM 786 NE2 GLN A 48 -1.722 5.998 8.562 1.00 51.01 N ATOM 0 H GLN A 48 -6.642 8.956 6.647 1.00 12.43 H new ATOM 0 HA GLN A 48 -3.863 9.400 5.860 1.00 43.12 H new ATOM 0 HB2 GLN A 48 -4.613 8.260 7.992 1.00 52.12 H new ATOM 0 HB3 GLN A 48 -5.273 6.975 7.000 1.00 52.12 H new ATOM 0 HG2 GLN A 48 -3.043 6.587 6.030 1.00 54.34 H new ATOM 0 HG3 GLN A 48 -2.387 7.860 7.040 1.00 54.34 H new ATOM 0 HE21 GLN A 48 -0.974 6.555 8.148 1.00 51.01 H new ATOM 0 HE22 GLN A 48 -1.518 5.365 9.335 1.00 51.01 H new ATOM 795 N VAL A 49 -3.934 8.036 3.725 1.00 42.03 N ATOM 796 CA VAL A 49 -4.029 7.424 2.401 1.00 54.41 C ATOM 797 C VAL A 49 -2.753 6.741 1.971 1.00 15.44 C ATOM 798 O VAL A 49 -1.691 6.955 2.540 1.00 65.14 O ATOM 799 CB VAL A 49 -4.397 8.455 1.308 1.00 1.34 C ATOM 800 CG1 VAL A 49 -5.842 8.894 1.420 1.00 65.34 C ATOM 801 CG2 VAL A 49 -3.474 9.668 1.381 1.00 21.55 C ATOM 0 H VAL A 49 -3.051 8.515 3.899 1.00 42.03 H new ATOM 0 HA VAL A 49 -4.819 6.680 2.502 1.00 54.41 H new ATOM 0 HB VAL A 49 -4.267 7.967 0.342 1.00 1.34 H new ATOM 0 HG11 VAL A 49 -6.064 9.618 0.636 1.00 65.34 H new ATOM 0 HG12 VAL A 49 -6.495 8.028 1.310 1.00 65.34 H new ATOM 0 HG13 VAL A 49 -6.009 9.352 2.395 1.00 65.34 H new ATOM 0 HG21 VAL A 49 -3.749 10.382 0.604 1.00 21.55 H new ATOM 0 HG22 VAL A 49 -3.571 10.140 2.359 1.00 21.55 H new ATOM 0 HG23 VAL A 49 -2.442 9.350 1.232 1.00 21.55 H new ATOM 811 N CYS A 50 -2.871 5.920 0.965 1.00 44.05 N ATOM 812 CA CYS A 50 -1.735 5.302 0.354 1.00 23.32 C ATOM 813 C CYS A 50 -1.352 6.076 -0.894 1.00 61.12 C ATOM 814 O CYS A 50 -2.216 6.472 -1.692 1.00 4.22 O ATOM 815 CB CYS A 50 -2.019 3.840 0.020 1.00 51.11 C ATOM 816 SG CYS A 50 -2.348 2.792 1.476 1.00 55.54 S ATOM 0 H CYS A 50 -3.764 5.661 0.546 1.00 44.05 H new ATOM 0 HA CYS A 50 -0.902 5.320 1.057 1.00 23.32 H new ATOM 0 HB2 CYS A 50 -2.877 3.792 -0.650 1.00 51.11 H new ATOM 0 HB3 CYS A 50 -1.167 3.431 -0.523 1.00 51.11 H new ATOM 821 N ILE A 51 -0.091 6.304 -1.050 1.00 43.41 N ATOM 822 CA ILE A 51 0.453 7.042 -2.152 1.00 14.53 C ATOM 823 C ILE A 51 0.969 6.063 -3.190 1.00 52.23 C ATOM 824 O ILE A 51 1.470 4.987 -2.835 1.00 61.32 O ATOM 825 CB ILE A 51 1.644 7.908 -1.680 1.00 22.42 C ATOM 826 CG1 ILE A 51 1.248 8.859 -0.575 1.00 12.22 C ATOM 827 CG2 ILE A 51 2.198 8.697 -2.820 1.00 42.04 C ATOM 828 CD1 ILE A 51 2.401 9.730 -0.124 1.00 5.22 C ATOM 0 H ILE A 51 0.617 5.973 -0.395 1.00 43.41 H new ATOM 0 HA ILE A 51 -0.326 7.681 -2.567 1.00 14.53 H new ATOM 0 HB ILE A 51 2.400 7.224 -1.294 1.00 22.42 H new ATOM 0 HG12 ILE A 51 0.431 9.492 -0.920 1.00 12.22 H new ATOM 0 HG13 ILE A 51 0.873 8.289 0.275 1.00 12.22 H new ATOM 0 HG21 ILE A 51 3.036 9.301 -2.471 1.00 42.04 H new ATOM 0 HG22 ILE A 51 2.541 8.017 -3.600 1.00 42.04 H new ATOM 0 HG23 ILE A 51 1.423 9.349 -3.222 1.00 42.04 H new ATOM 0 HD11 ILE A 51 2.065 10.396 0.671 1.00 5.22 H new ATOM 0 HD12 ILE A 51 3.209 9.100 0.247 1.00 5.22 H new ATOM 0 HD13 ILE A 51 2.760 10.322 -0.965 1.00 5.22 H new ATOM 840 N ASP A 52 0.850 6.411 -4.458 1.00 55.43 N ATOM 841 CA ASP A 52 1.341 5.554 -5.489 1.00 63.14 C ATOM 842 C ASP A 52 2.830 5.813 -5.718 1.00 1.00 C ATOM 843 O ASP A 52 3.275 6.960 -5.759 1.00 44.23 O ATOM 844 CB ASP A 52 0.552 5.710 -6.795 1.00 71.04 C ATOM 845 CG ASP A 52 0.820 6.944 -7.577 1.00 20.15 C ATOM 846 OD1 ASP A 52 0.124 7.920 -7.369 1.00 62.14 O ATOM 847 OD2 ASP A 52 1.693 6.914 -8.467 1.00 31.15 O ATOM 0 H ASP A 52 0.419 7.276 -4.784 1.00 55.43 H new ATOM 0 HA ASP A 52 1.204 4.524 -5.159 1.00 63.14 H new ATOM 0 HB2 ASP A 52 0.764 4.849 -7.429 1.00 71.04 H new ATOM 0 HB3 ASP A 52 -0.512 5.678 -6.559 1.00 71.04 H new ATOM 852 N PRO A 53 3.621 4.751 -5.842 1.00 4.35 N ATOM 853 CA PRO A 53 5.077 4.842 -6.058 1.00 21.34 C ATOM 854 C PRO A 53 5.454 5.344 -7.460 1.00 0.42 C ATOM 855 O PRO A 53 6.644 5.431 -7.802 1.00 42.14 O ATOM 856 CB PRO A 53 5.523 3.388 -5.908 1.00 70.04 C ATOM 857 CG PRO A 53 4.330 2.619 -6.329 1.00 53.11 C ATOM 858 CD PRO A 53 3.182 3.353 -5.739 1.00 4.02 C ATOM 0 HA PRO A 53 5.541 5.549 -5.370 1.00 21.34 H new ATOM 0 HB2 PRO A 53 6.386 3.166 -6.535 1.00 70.04 H new ATOM 0 HB3 PRO A 53 5.807 3.159 -4.881 1.00 70.04 H new ATOM 0 HG2 PRO A 53 4.253 2.570 -7.415 1.00 53.11 H new ATOM 0 HG3 PRO A 53 4.372 1.592 -5.966 1.00 53.11 H new ATOM 0 HD2 PRO A 53 2.258 3.175 -6.290 1.00 4.02 H new ATOM 0 HD3 PRO A 53 2.999 3.059 -4.706 1.00 4.02 H new ATOM 866 N LYS A 54 4.461 5.661 -8.263 1.00 24.42 N ATOM 867 CA LYS A 54 4.710 6.102 -9.626 1.00 63.52 C ATOM 868 C LYS A 54 4.706 7.636 -9.711 1.00 62.14 C ATOM 869 O LYS A 54 5.044 8.204 -10.746 1.00 75.20 O ATOM 870 CB LYS A 54 3.663 5.524 -10.587 1.00 2.44 C ATOM 871 CG LYS A 54 3.414 4.033 -10.442 1.00 30.15 C ATOM 872 CD LYS A 54 4.667 3.228 -10.685 1.00 34.42 C ATOM 873 CE LYS A 54 5.172 3.329 -12.113 1.00 11.51 C ATOM 874 NZ LYS A 54 6.338 2.455 -12.332 1.00 71.24 N ATOM 0 H LYS A 54 3.476 5.623 -8.001 1.00 24.42 H new ATOM 0 HA LYS A 54 5.694 5.736 -9.920 1.00 63.52 H new ATOM 0 HB2 LYS A 54 2.721 6.051 -10.434 1.00 2.44 H new ATOM 0 HB3 LYS A 54 3.980 5.727 -11.610 1.00 2.44 H new ATOM 0 HG2 LYS A 54 3.036 3.824 -9.441 1.00 30.15 H new ATOM 0 HG3 LYS A 54 2.641 3.724 -11.146 1.00 30.15 H new ATOM 0 HD2 LYS A 54 5.448 3.568 -10.005 1.00 34.42 H new ATOM 0 HD3 LYS A 54 4.471 2.182 -10.448 1.00 34.42 H new ATOM 0 HE2 LYS A 54 4.374 3.054 -12.803 1.00 11.51 H new ATOM 0 HE3 LYS A 54 5.443 4.362 -12.333 1.00 11.51 H new ATOM 0 HZ1 LYS A 54 6.660 2.546 -13.317 1.00 71.24 H new ATOM 0 HZ2 LYS A 54 7.107 2.734 -11.689 1.00 71.24 H new ATOM 0 HZ3 LYS A 54 6.072 1.467 -12.145 1.00 71.24 H new ATOM 888 N LEU A 55 4.299 8.280 -8.627 1.00 12.52 N ATOM 889 CA LEU A 55 4.268 9.740 -8.509 1.00 63.14 C ATOM 890 C LEU A 55 5.637 10.369 -8.664 1.00 20.32 C ATOM 891 O LEU A 55 6.601 9.933 -8.052 1.00 70.20 O ATOM 892 CB LEU A 55 3.634 10.122 -7.179 1.00 4.22 C ATOM 893 CG LEU A 55 2.123 10.008 -7.117 1.00 35.05 C ATOM 894 CD1 LEU A 55 1.622 10.259 -5.726 1.00 45.22 C ATOM 895 CD2 LEU A 55 1.474 10.981 -8.076 1.00 71.34 C ATOM 0 H LEU A 55 3.975 7.799 -7.788 1.00 12.52 H new ATOM 0 HA LEU A 55 3.665 10.132 -9.328 1.00 63.14 H new ATOM 0 HB2 LEU A 55 4.060 9.491 -6.399 1.00 4.22 H new ATOM 0 HB3 LEU A 55 3.913 11.150 -6.946 1.00 4.22 H new ATOM 0 HG LEU A 55 1.856 8.992 -7.407 1.00 35.05 H new ATOM 0 HD11 LEU A 55 0.536 10.171 -5.709 1.00 45.22 H new ATOM 0 HD12 LEU A 55 2.056 9.527 -5.045 1.00 45.22 H new ATOM 0 HD13 LEU A 55 1.910 11.262 -5.411 1.00 45.22 H new ATOM 0 HD21 LEU A 55 0.390 10.883 -8.016 1.00 71.34 H new ATOM 0 HD22 LEU A 55 1.761 11.999 -7.812 1.00 71.34 H new ATOM 0 HD23 LEU A 55 1.802 10.764 -9.092 1.00 71.34 H new ATOM 907 N LYS A 56 5.704 11.417 -9.479 1.00 20.03 N ATOM 908 CA LYS A 56 6.951 12.125 -9.771 1.00 34.22 C ATOM 909 C LYS A 56 7.573 12.688 -8.503 1.00 22.23 C ATOM 910 O LYS A 56 8.789 12.593 -8.306 1.00 32.10 O ATOM 911 CB LYS A 56 6.720 13.256 -10.790 1.00 23.21 C ATOM 912 CG LYS A 56 7.981 14.037 -11.145 1.00 72.23 C ATOM 913 CD LYS A 56 7.676 15.196 -12.075 1.00 41.34 C ATOM 914 CE LYS A 56 8.932 16.001 -12.389 1.00 11.11 C ATOM 915 NZ LYS A 56 8.644 17.169 -13.248 1.00 3.31 N ATOM 0 H LYS A 56 4.891 11.803 -9.959 1.00 20.03 H new ATOM 0 HA LYS A 56 7.642 11.402 -10.204 1.00 34.22 H new ATOM 0 HB2 LYS A 56 6.300 12.830 -11.701 1.00 23.21 H new ATOM 0 HB3 LYS A 56 5.978 13.946 -10.389 1.00 23.21 H new ATOM 0 HG2 LYS A 56 8.445 14.413 -10.234 1.00 72.23 H new ATOM 0 HG3 LYS A 56 8.702 13.370 -11.618 1.00 72.23 H new ATOM 0 HD2 LYS A 56 7.243 14.818 -13.001 1.00 41.34 H new ATOM 0 HD3 LYS A 56 6.930 15.846 -11.617 1.00 41.34 H new ATOM 0 HE2 LYS A 56 9.387 16.340 -11.458 1.00 11.11 H new ATOM 0 HE3 LYS A 56 9.660 15.358 -12.884 1.00 11.11 H new ATOM 0 HZ1 LYS A 56 9.526 17.687 -13.436 1.00 3.31 H new ATOM 0 HZ2 LYS A 56 8.234 16.846 -14.147 1.00 3.31 H new ATOM 0 HZ3 LYS A 56 7.970 17.797 -12.766 1.00 3.31 H new ATOM 929 N TRP A 57 6.743 13.255 -7.619 1.00 21.14 N ATOM 930 CA TRP A 57 7.277 13.811 -6.385 1.00 52.23 C ATOM 931 C TRP A 57 7.766 12.689 -5.483 1.00 70.44 C ATOM 932 O TRP A 57 8.598 12.896 -4.602 1.00 14.51 O ATOM 933 CB TRP A 57 6.280 14.727 -5.642 1.00 21.20 C ATOM 934 CG TRP A 57 5.097 14.054 -4.989 1.00 63.32 C ATOM 935 CD1 TRP A 57 3.860 13.824 -5.520 1.00 14.32 C ATOM 936 CD2 TRP A 57 5.052 13.546 -3.651 1.00 42.42 C ATOM 937 NE1 TRP A 57 3.055 13.232 -4.571 1.00 32.41 N ATOM 938 CE2 TRP A 57 3.764 13.045 -3.432 1.00 23.22 C ATOM 939 CE3 TRP A 57 5.982 13.470 -2.621 1.00 3.23 C ATOM 940 CZ2 TRP A 57 3.380 12.485 -2.226 1.00 70.25 C ATOM 941 CZ3 TRP A 57 5.605 12.911 -1.427 1.00 11.12 C ATOM 942 CH2 TRP A 57 4.315 12.424 -1.236 1.00 74.14 C ATOM 0 H TRP A 57 5.733 13.337 -7.734 1.00 21.14 H new ATOM 0 HA TRP A 57 8.116 14.451 -6.660 1.00 52.23 H new ATOM 0 HB2 TRP A 57 6.827 15.273 -4.874 1.00 21.20 H new ATOM 0 HB3 TRP A 57 5.903 15.465 -6.350 1.00 21.20 H new ATOM 0 HD1 TRP A 57 3.559 14.068 -6.528 1.00 14.32 H new ATOM 0 HE1 TRP A 57 2.077 12.975 -4.705 1.00 32.41 H new ATOM 0 HE3 TRP A 57 6.985 13.845 -2.759 1.00 3.23 H new ATOM 0 HZ2 TRP A 57 2.378 12.111 -2.075 1.00 70.25 H new ATOM 0 HZ3 TRP A 57 6.321 12.847 -0.621 1.00 11.12 H new ATOM 0 HH2 TRP A 57 4.050 11.989 -0.284 1.00 74.14 H new ATOM 953 N ILE A 58 7.244 11.502 -5.727 1.00 43.22 N ATOM 954 CA ILE A 58 7.648 10.321 -5.029 1.00 1.35 C ATOM 955 C ILE A 58 9.016 9.873 -5.500 1.00 42.53 C ATOM 956 O ILE A 58 9.802 9.406 -4.708 1.00 31.33 O ATOM 957 CB ILE A 58 6.580 9.195 -5.122 1.00 61.12 C ATOM 958 CG1 ILE A 58 5.393 9.510 -4.216 1.00 4.24 C ATOM 959 CG2 ILE A 58 7.137 7.822 -4.826 1.00 1.31 C ATOM 960 CD1 ILE A 58 5.752 9.567 -2.740 1.00 20.04 C ATOM 0 H ILE A 58 6.519 11.341 -6.426 1.00 43.22 H new ATOM 0 HA ILE A 58 7.730 10.561 -3.969 1.00 1.35 H new ATOM 0 HB ILE A 58 6.241 9.168 -6.158 1.00 61.12 H new ATOM 0 HG12 ILE A 58 4.963 10.466 -4.514 1.00 4.24 H new ATOM 0 HG13 ILE A 58 4.622 8.754 -4.365 1.00 4.24 H new ATOM 0 HG21 ILE A 58 6.342 7.081 -4.908 1.00 1.31 H new ATOM 0 HG22 ILE A 58 7.926 7.588 -5.541 1.00 1.31 H new ATOM 0 HG23 ILE A 58 7.546 7.805 -3.816 1.00 1.31 H new ATOM 0 HD11 ILE A 58 4.860 9.795 -2.157 1.00 20.04 H new ATOM 0 HD12 ILE A 58 6.154 8.604 -2.426 1.00 20.04 H new ATOM 0 HD13 ILE A 58 6.500 10.343 -2.577 1.00 20.04 H new ATOM 972 N GLN A 59 9.308 10.032 -6.793 1.00 31.51 N ATOM 973 CA GLN A 59 10.664 9.770 -7.269 1.00 11.52 C ATOM 974 C GLN A 59 11.644 10.681 -6.563 1.00 3.41 C ATOM 975 O GLN A 59 12.677 10.227 -6.085 1.00 72.32 O ATOM 976 CB GLN A 59 10.816 9.872 -8.791 1.00 31.33 C ATOM 977 CG GLN A 59 10.367 8.636 -9.568 1.00 12.43 C ATOM 978 CD GLN A 59 8.893 8.320 -9.470 1.00 33.21 C ATOM 979 OE1 GLN A 59 8.095 8.782 -10.285 1.00 42.01 O ATOM 980 NE2 GLN A 59 8.528 7.515 -8.500 1.00 44.40 N ATOM 0 H GLN A 59 8.645 10.332 -7.508 1.00 31.51 H new ATOM 0 HA GLN A 59 10.886 8.731 -7.024 1.00 11.52 H new ATOM 0 HB2 GLN A 59 10.244 10.731 -9.142 1.00 31.33 H new ATOM 0 HB3 GLN A 59 11.862 10.069 -9.024 1.00 31.33 H new ATOM 0 HG2 GLN A 59 10.625 8.772 -10.618 1.00 12.43 H new ATOM 0 HG3 GLN A 59 10.932 7.775 -9.210 1.00 12.43 H new ATOM 0 HE21 GLN A 59 9.224 7.155 -7.847 1.00 44.40 H new ATOM 0 HE22 GLN A 59 7.548 7.249 -8.400 1.00 44.40 H new ATOM 989 N GLU A 60 11.287 11.964 -6.467 1.00 41.12 N ATOM 990 CA GLU A 60 12.066 12.928 -5.699 1.00 3.41 C ATOM 991 C GLU A 60 12.217 12.440 -4.265 1.00 31.35 C ATOM 992 O GLU A 60 13.315 12.361 -3.739 1.00 14.23 O ATOM 993 CB GLU A 60 11.383 14.296 -5.697 1.00 1.41 C ATOM 994 CG GLU A 60 11.371 15.017 -7.027 1.00 62.24 C ATOM 995 CD GLU A 60 12.760 15.381 -7.477 1.00 71.22 C ATOM 996 OE1 GLU A 60 13.451 16.127 -6.746 1.00 3.01 O ATOM 997 OE2 GLU A 60 13.179 14.963 -8.558 1.00 34.54 O ATOM 0 H GLU A 60 10.459 12.357 -6.915 1.00 41.12 H new ATOM 0 HA GLU A 60 13.048 13.025 -6.163 1.00 3.41 H new ATOM 0 HB2 GLU A 60 10.353 14.169 -5.363 1.00 1.41 H new ATOM 0 HB3 GLU A 60 11.880 14.930 -4.963 1.00 1.41 H new ATOM 0 HG2 GLU A 60 10.899 14.385 -7.779 1.00 62.24 H new ATOM 0 HG3 GLU A 60 10.767 15.920 -6.945 1.00 62.24 H new ATOM 1004 N TYR A 61 11.098 12.090 -3.664 1.00 21.24 N ATOM 1005 CA TYR A 61 11.047 11.593 -2.302 1.00 22.11 C ATOM 1006 C TYR A 61 11.961 10.374 -2.108 1.00 3.33 C ATOM 1007 O TYR A 61 12.699 10.302 -1.146 1.00 74.00 O ATOM 1008 CB TYR A 61 9.586 11.272 -1.926 1.00 12.03 C ATOM 1009 CG TYR A 61 9.401 10.641 -0.572 1.00 41.23 C ATOM 1010 CD1 TYR A 61 9.485 11.390 0.597 1.00 12.20 C ATOM 1011 CD2 TYR A 61 9.145 9.282 -0.465 1.00 31.12 C ATOM 1012 CE1 TYR A 61 9.326 10.796 1.827 1.00 73.33 C ATOM 1013 CE2 TYR A 61 8.978 8.685 0.755 1.00 43.22 C ATOM 1014 CZ TYR A 61 9.074 9.447 1.903 1.00 5.12 C ATOM 1015 OH TYR A 61 8.926 8.852 3.136 1.00 53.34 O ATOM 0 H TYR A 61 10.184 12.143 -4.114 1.00 21.24 H new ATOM 0 HA TYR A 61 11.420 12.368 -1.633 1.00 22.11 H new ATOM 0 HB2 TYR A 61 9.006 12.194 -1.962 1.00 12.03 H new ATOM 0 HB3 TYR A 61 9.171 10.604 -2.681 1.00 12.03 H new ATOM 0 HD1 TYR A 61 9.677 12.451 0.538 1.00 12.20 H new ATOM 0 HD2 TYR A 61 9.076 8.684 -1.361 1.00 31.12 H new ATOM 0 HE1 TYR A 61 9.399 11.386 2.728 1.00 73.33 H new ATOM 0 HE2 TYR A 61 8.773 7.627 0.820 1.00 43.22 H new ATOM 0 HH TYR A 61 9.030 9.526 3.839 1.00 53.34 H new ATOM 1025 N LEU A 62 11.921 9.448 -3.041 1.00 1.34 N ATOM 1026 CA LEU A 62 12.736 8.241 -2.971 1.00 73.34 C ATOM 1027 C LEU A 62 14.209 8.556 -3.049 1.00 61.21 C ATOM 1028 O LEU A 62 15.013 7.993 -2.298 1.00 43.21 O ATOM 1029 CB LEU A 62 12.344 7.258 -4.061 1.00 2.30 C ATOM 1030 CG LEU A 62 10.926 6.728 -3.979 1.00 34.43 C ATOM 1031 CD1 LEU A 62 10.638 5.796 -5.131 1.00 2.52 C ATOM 1032 CD2 LEU A 62 10.705 6.039 -2.650 1.00 11.42 C ATOM 0 H LEU A 62 11.327 9.504 -3.869 1.00 1.34 H new ATOM 0 HA LEU A 62 12.547 7.779 -2.002 1.00 73.34 H new ATOM 0 HB2 LEU A 62 12.478 7.742 -5.028 1.00 2.30 H new ATOM 0 HB3 LEU A 62 13.032 6.413 -4.030 1.00 2.30 H new ATOM 0 HG LEU A 62 10.232 7.566 -4.050 1.00 34.43 H new ATOM 0 HD11 LEU A 62 9.615 5.427 -5.053 1.00 2.52 H new ATOM 0 HD12 LEU A 62 10.760 6.332 -6.072 1.00 2.52 H new ATOM 0 HD13 LEU A 62 11.331 4.955 -5.101 1.00 2.52 H new ATOM 0 HD21 LEU A 62 9.683 5.662 -2.601 1.00 11.42 H new ATOM 0 HD22 LEU A 62 11.404 5.208 -2.550 1.00 11.42 H new ATOM 0 HD23 LEU A 62 10.868 6.750 -1.840 1.00 11.42 H new ATOM 1044 N GLU A 63 14.562 9.436 -3.944 1.00 5.32 N ATOM 1045 CA GLU A 63 15.951 9.852 -4.095 1.00 20.24 C ATOM 1046 C GLU A 63 16.451 10.507 -2.821 1.00 43.22 C ATOM 1047 O GLU A 63 17.477 10.136 -2.295 1.00 52.41 O ATOM 1048 CB GLU A 63 16.117 10.843 -5.233 1.00 23.32 C ATOM 1049 CG GLU A 63 15.694 10.353 -6.587 1.00 33.44 C ATOM 1050 CD GLU A 63 15.905 11.406 -7.630 1.00 43.13 C ATOM 1051 OE1 GLU A 63 15.266 12.475 -7.547 1.00 44.42 O ATOM 1052 OE2 GLU A 63 16.740 11.201 -8.536 1.00 42.32 O ATOM 0 H GLU A 63 13.913 9.888 -4.588 1.00 5.32 H new ATOM 0 HA GLU A 63 16.529 8.954 -4.313 1.00 20.24 H new ATOM 0 HB2 GLU A 63 15.545 11.740 -4.996 1.00 23.32 H new ATOM 0 HB3 GLU A 63 17.165 11.138 -5.284 1.00 23.32 H new ATOM 0 HG2 GLU A 63 16.261 9.459 -6.848 1.00 33.44 H new ATOM 0 HG3 GLU A 63 14.643 10.067 -6.562 1.00 33.44 H new ATOM 1059 N LYS A 64 15.690 11.455 -2.320 1.00 43.02 N ATOM 1060 CA LYS A 64 16.106 12.246 -1.171 1.00 40.43 C ATOM 1061 C LYS A 64 15.900 11.567 0.176 1.00 12.21 C ATOM 1062 O LYS A 64 16.416 12.043 1.179 1.00 12.20 O ATOM 1063 CB LYS A 64 15.457 13.629 -1.158 1.00 72.33 C ATOM 1064 CG LYS A 64 15.960 14.624 -2.223 1.00 54.02 C ATOM 1065 CD LYS A 64 15.586 14.242 -3.651 1.00 12.01 C ATOM 1066 CE LYS A 64 16.145 15.224 -4.667 1.00 71.42 C ATOM 1067 NZ LYS A 64 15.724 14.901 -6.061 1.00 4.41 N ATOM 0 H LYS A 64 14.772 11.702 -2.690 1.00 43.02 H new ATOM 0 HA LYS A 64 17.183 12.353 -1.303 1.00 40.43 H new ATOM 0 HB2 LYS A 64 14.382 13.505 -1.285 1.00 72.33 H new ATOM 0 HB3 LYS A 64 15.612 14.072 -0.174 1.00 72.33 H new ATOM 0 HG2 LYS A 64 15.555 15.612 -2.004 1.00 54.02 H new ATOM 0 HG3 LYS A 64 17.045 14.701 -2.150 1.00 54.02 H new ATOM 0 HD2 LYS A 64 15.961 13.242 -3.869 1.00 12.01 H new ATOM 0 HD3 LYS A 64 14.501 14.203 -3.744 1.00 12.01 H new ATOM 0 HE2 LYS A 64 15.814 16.231 -4.415 1.00 71.42 H new ATOM 0 HE3 LYS A 64 17.233 15.222 -4.609 1.00 71.42 H new ATOM 0 HZ1 LYS A 64 16.527 15.038 -6.707 1.00 4.41 H new ATOM 0 HZ2 LYS A 64 15.408 13.911 -6.108 1.00 4.41 H new ATOM 0 HZ3 LYS A 64 14.943 15.528 -6.342 1.00 4.41 H new ATOM 1081 N ALA A 65 15.133 10.511 0.223 1.00 43.53 N ATOM 1082 CA ALA A 65 14.937 9.816 1.496 1.00 62.33 C ATOM 1083 C ALA A 65 15.784 8.560 1.592 1.00 63.52 C ATOM 1084 O ALA A 65 16.286 8.223 2.665 1.00 50.55 O ATOM 1085 CB ALA A 65 13.471 9.510 1.757 1.00 2.45 C ATOM 0 H ALA A 65 14.639 10.110 -0.575 1.00 43.53 H new ATOM 0 HA ALA A 65 15.272 10.498 2.278 1.00 62.33 H new ATOM 0 HB1 ALA A 65 13.371 8.994 2.712 1.00 2.45 H new ATOM 0 HB2 ALA A 65 12.905 10.441 1.787 1.00 2.45 H new ATOM 0 HB3 ALA A 65 13.084 8.875 0.960 1.00 2.45 H new ATOM 1091 N LEU A 66 15.936 7.858 0.489 1.00 71.13 N ATOM 1092 CA LEU A 66 16.768 6.670 0.481 1.00 65.32 C ATOM 1093 C LEU A 66 18.219 7.044 0.337 1.00 64.33 C ATOM 1094 O LEU A 66 19.096 6.469 0.985 1.00 72.33 O ATOM 1095 CB LEU A 66 16.328 5.659 -0.556 1.00 71.01 C ATOM 1096 CG LEU A 66 15.013 4.914 -0.260 1.00 11.02 C ATOM 1097 CD1 LEU A 66 15.070 4.182 1.072 1.00 62.32 C ATOM 1098 CD2 LEU A 66 13.781 5.805 -0.344 1.00 22.23 C ATOM 0 H LEU A 66 15.500 8.084 -0.405 1.00 71.13 H new ATOM 0 HA LEU A 66 16.644 6.174 1.444 1.00 65.32 H new ATOM 0 HB2 LEU A 66 16.224 6.171 -1.512 1.00 71.01 H new ATOM 0 HB3 LEU A 66 17.121 4.921 -0.674 1.00 71.01 H new ATOM 0 HG LEU A 66 14.909 4.173 -1.053 1.00 11.02 H new ATOM 0 HD11 LEU A 66 14.124 3.669 1.246 1.00 62.32 H new ATOM 0 HD12 LEU A 66 15.880 3.453 1.052 1.00 62.32 H new ATOM 0 HD13 LEU A 66 15.246 4.899 1.874 1.00 62.32 H new ATOM 0 HD21 LEU A 66 12.890 5.216 -0.124 1.00 22.23 H new ATOM 0 HD22 LEU A 66 13.868 6.615 0.380 1.00 22.23 H new ATOM 0 HD23 LEU A 66 13.702 6.222 -1.348 1.00 22.23 H new ATOM 1110 N ASN A 67 18.469 8.013 -0.488 1.00 64.53 N ATOM 1111 CA ASN A 67 19.771 8.628 -0.593 1.00 73.43 C ATOM 1112 C ASN A 67 19.605 9.987 0.044 1.00 33.13 C ATOM 1113 O ASN A 67 18.687 10.153 0.854 1.00 22.44 O ATOM 1114 CB ASN A 67 20.220 8.746 -2.064 1.00 70.34 C ATOM 1115 CG ASN A 67 20.396 7.399 -2.744 1.00 54.04 C ATOM 1116 OD1 ASN A 67 19.471 6.868 -3.364 1.00 73.33 O ATOM 1117 ND2 ASN A 67 21.570 6.829 -2.625 1.00 45.10 N ATOM 0 H ASN A 67 17.772 8.409 -1.118 1.00 64.53 H new ATOM 0 HA ASN A 67 20.544 8.038 -0.101 1.00 73.43 H new ATOM 0 HB2 ASN A 67 19.485 9.331 -2.616 1.00 70.34 H new ATOM 0 HB3 ASN A 67 21.161 9.294 -2.107 1.00 70.34 H new ATOM 0 HD21 ASN A 67 21.741 5.919 -3.052 1.00 45.10 H new ATOM 0 HD22 ASN A 67 22.313 7.296 -2.105 1.00 45.10 H new ATOM 1124 N LYS A 68 20.443 10.933 -0.242 1.00 54.12 N ATOM 1125 CA LYS A 68 20.240 12.240 0.320 1.00 62.34 C ATOM 1126 C LYS A 68 20.913 13.283 -0.538 1.00 51.14 C ATOM 1127 O LYS A 68 20.260 13.802 -1.464 1.00 37.06 O ATOM 1128 CB LYS A 68 20.700 12.296 1.803 1.00 53.22 C ATOM 1129 CG LYS A 68 20.459 13.631 2.499 1.00 21.43 C ATOM 1130 CD LYS A 68 18.976 13.938 2.595 1.00 61.23 C ATOM 1131 CE LYS A 68 18.256 13.005 3.564 1.00 50.12 C ATOM 1132 NZ LYS A 68 16.803 13.246 3.562 1.00 55.42 N ATOM 1133 OXT LYS A 68 22.098 13.591 -0.308 1.00 37.06 O ATOM 0 H LYS A 68 21.258 10.835 -0.847 1.00 54.12 H new ATOM 0 HA LYS A 68 19.172 12.460 0.326 1.00 62.34 H new ATOM 0 HB2 LYS A 68 20.182 11.514 2.359 1.00 53.22 H new ATOM 0 HB3 LYS A 68 21.765 12.067 1.847 1.00 53.22 H new ATOM 0 HG2 LYS A 68 20.894 13.607 3.498 1.00 21.43 H new ATOM 0 HG3 LYS A 68 20.963 14.427 1.951 1.00 21.43 H new ATOM 0 HD2 LYS A 68 18.841 14.970 2.919 1.00 61.23 H new ATOM 0 HD3 LYS A 68 18.524 13.852 1.607 1.00 61.23 H new ATOM 0 HE2 LYS A 68 18.455 11.969 3.290 1.00 50.12 H new ATOM 0 HE3 LYS A 68 18.649 13.149 4.570 1.00 50.12 H new ATOM 0 HZ1 LYS A 68 16.379 12.820 4.411 1.00 55.42 H new ATOM 0 HZ2 LYS A 68 16.621 14.270 3.561 1.00 55.42 H new ATOM 0 HZ3 LYS A 68 16.381 12.818 2.713 1.00 55.42 H new TER 1147 LYS A 68