USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 640 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 5 CYS SG : rot 105:sc= 2.32 USER MOD Set 1.2: A 10 CYS SG : rot 136:sc= -0.482! USER MOD Set 1.3: A 12 ASN : amide:sc= -0.243 K(o=-5.3,f=-7) USER MOD Set 1.4: A 54 CYS SG : rot -103:sc= -4.76! USER MOD Set 1.5: A 57 HIS : no HD1:sc= -2.11 K(o=-5.3,f=-17!) USER MOD Single : A 6 SER OG : rot -44:sc= 0.0468 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -131:sc= 1.23 (180deg=1.07) USER MOD Single : A 18 LYS NZ :NH3+ -157:sc= -0.24 (180deg=-0.825!) USER MOD Single : A 21 SER OG : rot 180:sc= -0.197 USER MOD Single : A 23 HIS :FLIP no HE2:sc= -5.73! C(o=-10!,f=-5.7!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0115 USER MOD Single : A 31 SER OG : rot 180:sc= 0.124 USER MOD Single : A 33 CYS SG : rot 32:sc= -3.66! USER MOD Single : A 34 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0566) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.191 K(o=-0.19,f=-1.1) USER MOD Single : A 46 LYS NZ :NH3+ -153:sc=-0.00804 (180deg=-0.601) USER MOD Single : A 48 THR OG1 : rot -160:sc= -0.0154 USER MOD Single : A 49 LYS NZ :NH3+ -158:sc= 0.427 (180deg=-0.48) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -5:sc= -3.2! USER MOD Single : A 52 SER OG : rot 180:sc= 0.021 USER MOD Single : A 55 SER OG : rot 100:sc= -1 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0763 USER MOD Single : A 62 SER OG : rot -140:sc= -2.78 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -139:sc= -1.24 USER MOD Single : A 68 ASN :FLIP amide:sc= -0.161 F(o=-0.92,f=-0.16) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN :FLIP amide:sc= -0.078 F(o=-1.1,f=-0.078) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 64 N CYS A 5 -8.439 1.502 -4.004 1.00 10.00 N ATOM 65 CA CYS A 5 -7.582 2.114 -2.998 1.00 10.00 C ATOM 66 C CYS A 5 -8.329 2.221 -1.669 1.00 10.00 C ATOM 67 O CYS A 5 -9.467 1.768 -1.560 1.00 10.00 O ATOM 68 CB CYS A 5 -7.143 3.499 -3.473 1.00 10.00 C ATOM 69 SG CYS A 5 -6.975 3.626 -5.263 1.00 10.00 S ATOM 0 HA CYS A 5 -6.699 1.493 -2.851 1.00 10.00 H new ATOM 0 HB2 CYS A 5 -7.867 4.238 -3.131 1.00 10.00 H new ATOM 0 HB3 CYS A 5 -6.189 3.748 -3.008 1.00 10.00 H new ATOM 0 HG CYS A 5 -7.978 4.298 -5.746 1.00 10.00 H new ATOM 74 N SER A 6 -7.693 2.837 -0.677 1.00 10.00 N ATOM 75 CA SER A 6 -8.290 2.997 0.649 1.00 10.00 C ATOM 76 C SER A 6 -9.277 4.173 0.684 1.00 10.00 C ATOM 77 O SER A 6 -9.836 4.502 1.726 1.00 10.00 O ATOM 78 CB SER A 6 -7.178 3.202 1.690 1.00 10.00 C ATOM 79 OG SER A 6 -7.625 2.908 3.002 1.00 10.00 O ATOM 0 H SER A 6 -6.759 3.236 -0.765 1.00 10.00 H new ATOM 0 HA SER A 6 -8.850 2.092 0.885 1.00 10.00 H new ATOM 0 HB2 SER A 6 -6.328 2.565 1.444 1.00 10.00 H new ATOM 0 HB3 SER A 6 -6.826 4.233 1.648 1.00 10.00 H new ATOM 0 HG SER A 6 -8.514 3.296 3.139 1.00 10.00 H new ATOM 85 N ALA A 7 -9.496 4.800 -0.467 1.00 10.00 N ATOM 86 CA ALA A 7 -10.400 5.943 -0.552 1.00 10.00 C ATOM 87 C ALA A 7 -11.861 5.508 -0.625 1.00 10.00 C ATOM 88 O ALA A 7 -12.170 4.321 -0.638 1.00 10.00 O ATOM 89 CB ALA A 7 -10.050 6.799 -1.755 1.00 10.00 C ATOM 0 H ALA A 7 -9.062 4.538 -1.352 1.00 10.00 H new ATOM 0 HA ALA A 7 -10.275 6.529 0.358 1.00 10.00 H new ATOM 0 HB1 ALA A 7 -10.731 7.648 -1.808 1.00 10.00 H new ATOM 0 HB2 ALA A 7 -9.026 7.160 -1.659 1.00 10.00 H new ATOM 0 HB3 ALA A 7 -10.141 6.204 -2.664 1.00 10.00 H new ATOM 95 N TYR A 8 -12.755 6.479 -0.721 1.00 10.00 N ATOM 96 CA TYR A 8 -14.181 6.199 -0.777 1.00 10.00 C ATOM 97 C TYR A 8 -14.706 6.356 -2.206 1.00 10.00 C ATOM 98 O TYR A 8 -15.134 7.436 -2.611 1.00 10.00 O ATOM 99 CB TYR A 8 -14.936 7.131 0.193 1.00 10.00 C ATOM 100 CG TYR A 8 -16.454 7.069 0.094 1.00 10.00 C ATOM 101 CD1 TYR A 8 -17.109 5.912 -0.316 1.00 10.00 C ATOM 102 CD2 TYR A 8 -17.230 8.180 0.407 1.00 10.00 C ATOM 103 CE1 TYR A 8 -18.485 5.864 -0.415 1.00 10.00 C ATOM 104 CE2 TYR A 8 -18.611 8.138 0.313 1.00 10.00 C ATOM 105 CZ TYR A 8 -19.232 6.978 -0.101 1.00 10.00 C ATOM 106 OH TYR A 8 -20.604 6.927 -0.200 1.00 10.00 O ATOM 0 H TYR A 8 -12.518 7.470 -0.762 1.00 10.00 H new ATOM 0 HA TYR A 8 -14.351 5.167 -0.471 1.00 10.00 H new ATOM 0 HB2 TYR A 8 -14.643 6.883 1.213 1.00 10.00 H new ATOM 0 HB3 TYR A 8 -14.617 8.157 0.010 1.00 10.00 H new ATOM 0 HD1 TYR A 8 -16.530 5.034 -0.562 1.00 10.00 H new ATOM 0 HD2 TYR A 8 -16.747 9.091 0.729 1.00 10.00 H new ATOM 0 HE1 TYR A 8 -18.974 4.957 -0.737 1.00 10.00 H new ATOM 0 HE2 TYR A 8 -19.199 9.009 0.563 1.00 10.00 H new ATOM 0 HH TYR A 8 -20.983 7.793 0.058 1.00 10.00 H new ATOM 116 N GLY A 9 -14.641 5.273 -2.977 1.00 10.00 N ATOM 117 CA GLY A 9 -15.152 5.306 -4.334 1.00 10.00 C ATOM 118 C GLY A 9 -14.067 5.307 -5.394 1.00 10.00 C ATOM 119 O GLY A 9 -14.365 5.405 -6.586 1.00 10.00 O ATOM 0 H GLY A 9 -14.246 4.379 -2.687 1.00 10.00 H new ATOM 0 HA2 GLY A 9 -15.799 4.443 -4.490 1.00 10.00 H new ATOM 0 HA3 GLY A 9 -15.770 6.195 -4.459 1.00 10.00 H new ATOM 123 N CYS A 10 -12.813 5.178 -4.974 1.00 10.00 N ATOM 124 CA CYS A 10 -11.701 5.173 -5.908 1.00 10.00 C ATOM 125 C CYS A 10 -11.393 3.770 -6.416 1.00 10.00 C ATOM 126 O CYS A 10 -10.414 3.145 -5.992 1.00 10.00 O ATOM 127 CB CYS A 10 -10.441 5.774 -5.293 1.00 10.00 C ATOM 128 SG CYS A 10 -9.080 5.886 -6.468 1.00 10.00 S ATOM 0 H CYS A 10 -12.545 5.076 -3.995 1.00 10.00 H new ATOM 0 HA CYS A 10 -12.011 5.791 -6.750 1.00 10.00 H new ATOM 0 HB2 CYS A 10 -10.668 6.769 -4.910 1.00 10.00 H new ATOM 0 HB3 CYS A 10 -10.132 5.167 -4.442 1.00 10.00 H new ATOM 0 HG CYS A 10 -8.503 7.045 -6.354 1.00 10.00 H new ATOM 133 N LYS A 11 -12.247 3.254 -7.283 1.00 10.00 N ATOM 134 CA LYS A 11 -12.020 1.943 -7.873 1.00 10.00 C ATOM 135 C LYS A 11 -11.110 2.102 -9.089 1.00 10.00 C ATOM 136 O LYS A 11 -11.369 1.563 -10.164 1.00 10.00 O ATOM 137 CB LYS A 11 -13.347 1.288 -8.266 1.00 10.00 C ATOM 138 CG LYS A 11 -14.326 1.159 -7.110 1.00 10.00 C ATOM 139 CD LYS A 11 -15.455 0.196 -7.441 1.00 10.00 C ATOM 140 CE LYS A 11 -15.050 -1.248 -7.196 1.00 10.00 C ATOM 141 NZ LYS A 11 -16.013 -2.213 -7.797 1.00 10.00 N ATOM 0 H LYS A 11 -13.100 3.719 -7.594 1.00 10.00 H new ATOM 0 HA LYS A 11 -11.539 1.292 -7.143 1.00 10.00 H new ATOM 0 HB2 LYS A 11 -13.810 1.873 -9.060 1.00 10.00 H new ATOM 0 HB3 LYS A 11 -13.147 0.297 -8.675 1.00 10.00 H new ATOM 0 HG2 LYS A 11 -13.798 0.811 -6.222 1.00 10.00 H new ATOM 0 HG3 LYS A 11 -14.740 2.139 -6.871 1.00 10.00 H new ATOM 0 HD2 LYS A 11 -16.329 0.437 -6.835 1.00 10.00 H new ATOM 0 HD3 LYS A 11 -15.746 0.321 -8.484 1.00 10.00 H new ATOM 0 HE2 LYS A 11 -14.058 -1.421 -7.613 1.00 10.00 H new ATOM 0 HE3 LYS A 11 -14.981 -1.427 -6.123 1.00 10.00 H new ATOM 0 HZ1 LYS A 11 -15.696 -3.185 -7.605 1.00 10.00 H new ATOM 0 HZ2 LYS A 11 -16.955 -2.067 -7.382 1.00 10.00 H new ATOM 0 HZ3 LYS A 11 -16.061 -2.061 -8.825 1.00 10.00 H new ATOM 155 N ASN A 12 -10.028 2.847 -8.887 1.00 10.00 N ATOM 156 CA ASN A 12 -9.050 3.142 -9.934 1.00 10.00 C ATOM 157 C ASN A 12 -8.076 2.004 -10.131 1.00 10.00 C ATOM 158 O ASN A 12 -6.860 2.207 -10.103 1.00 10.00 O ATOM 159 CB ASN A 12 -8.267 4.386 -9.578 1.00 10.00 C ATOM 160 CG ASN A 12 -9.045 5.666 -9.829 1.00 10.00 C ATOM 161 OD1 ASN A 12 -10.277 5.673 -9.837 1.00 10.00 O ATOM 162 ND2 ASN A 12 -8.332 6.759 -10.037 1.00 10.00 N ATOM 0 H ASN A 12 -9.801 3.267 -7.986 1.00 10.00 H new ATOM 0 HA ASN A 12 -9.607 3.291 -10.859 1.00 10.00 H new ATOM 0 HB2 ASN A 12 -7.981 4.341 -8.527 1.00 10.00 H new ATOM 0 HB3 ASN A 12 -7.345 4.407 -10.159 1.00 10.00 H new ATOM 0 HD21 ASN A 12 -8.801 7.648 -10.212 1.00 10.00 H new ATOM 0 HD22 ASN A 12 -7.313 6.714 -10.023 1.00 10.00 H new ATOM 169 N ARG A 13 -8.639 0.820 -10.253 1.00 10.00 N ATOM 170 CA ARG A 13 -7.896 -0.419 -10.500 1.00 10.00 C ATOM 171 C ARG A 13 -6.678 -0.120 -11.378 1.00 10.00 C ATOM 172 O ARG A 13 -6.820 0.542 -12.408 1.00 10.00 O ATOM 173 CB ARG A 13 -8.821 -1.419 -11.217 1.00 10.00 C ATOM 174 CG ARG A 13 -8.466 -2.903 -11.071 1.00 10.00 C ATOM 175 CD ARG A 13 -6.990 -3.192 -11.313 1.00 10.00 C ATOM 176 NE ARG A 13 -6.764 -4.557 -11.792 1.00 10.00 N ATOM 177 CZ ARG A 13 -5.754 -4.922 -12.584 1.00 10.00 C ATOM 178 NH1 ARG A 13 -4.932 -4.010 -13.090 1.00 10.00 N ATOM 179 NH2 ARG A 13 -5.587 -6.201 -12.896 1.00 10.00 N ATOM 0 H ARG A 13 -9.647 0.679 -10.183 1.00 10.00 H new ATOM 0 HA ARG A 13 -7.557 -0.843 -9.555 1.00 10.00 H new ATOM 0 HB2 ARG A 13 -9.835 -1.272 -10.846 1.00 10.00 H new ATOM 0 HB3 ARG A 13 -8.832 -1.173 -12.279 1.00 10.00 H new ATOM 0 HG2 ARG A 13 -8.736 -3.238 -10.070 1.00 10.00 H new ATOM 0 HG3 ARG A 13 -9.064 -3.484 -11.773 1.00 10.00 H new ATOM 0 HD2 ARG A 13 -6.598 -2.483 -12.043 1.00 10.00 H new ATOM 0 HD3 ARG A 13 -6.435 -3.037 -10.388 1.00 10.00 H new ATOM 0 HE ARG A 13 -7.424 -5.278 -11.500 1.00 10.00 H new ATOM 0 HH11 ARG A 13 -5.070 -3.023 -12.874 1.00 10.00 H new ATOM 0 HH12 ARG A 13 -4.162 -4.297 -13.695 1.00 10.00 H new ATOM 0 HH21 ARG A 13 -6.230 -6.903 -12.531 1.00 10.00 H new ATOM 0 HH22 ARG A 13 -4.816 -6.482 -13.501 1.00 10.00 H new ATOM 193 N TYR A 14 -5.503 -0.598 -10.949 1.00 10.00 N ATOM 194 CA TYR A 14 -4.237 -0.388 -11.668 1.00 10.00 C ATOM 195 C TYR A 14 -4.433 -0.338 -13.176 1.00 10.00 C ATOM 196 O TYR A 14 -4.713 -1.352 -13.814 1.00 10.00 O ATOM 197 CB TYR A 14 -3.243 -1.500 -11.341 1.00 10.00 C ATOM 198 CG TYR A 14 -1.831 -1.020 -11.072 1.00 10.00 C ATOM 199 CD1 TYR A 14 -1.191 -0.114 -11.918 1.00 10.00 C ATOM 200 CD2 TYR A 14 -1.137 -1.472 -9.958 1.00 10.00 C ATOM 201 CE1 TYR A 14 0.093 0.317 -11.653 1.00 10.00 C ATOM 202 CE2 TYR A 14 0.148 -1.044 -9.691 1.00 10.00 C ATOM 203 CZ TYR A 14 0.756 -0.150 -10.541 1.00 10.00 C ATOM 204 OH TYR A 14 2.030 0.286 -10.275 1.00 10.00 O ATOM 0 H TYR A 14 -5.402 -1.142 -10.092 1.00 10.00 H new ATOM 0 HA TYR A 14 -3.848 0.575 -11.337 1.00 10.00 H new ATOM 0 HB2 TYR A 14 -3.601 -2.045 -10.467 1.00 10.00 H new ATOM 0 HB3 TYR A 14 -3.221 -2.207 -12.171 1.00 10.00 H new ATOM 0 HD1 TYR A 14 -1.707 0.255 -12.792 1.00 10.00 H new ATOM 0 HD2 TYR A 14 -1.612 -2.172 -9.287 1.00 10.00 H new ATOM 0 HE1 TYR A 14 0.576 1.019 -12.316 1.00 10.00 H new ATOM 0 HE2 TYR A 14 0.672 -1.409 -8.820 1.00 10.00 H new ATOM 0 HH TYR A 14 2.356 -0.138 -9.454 1.00 10.00 H new ATOM 214 N ASP A 15 -4.297 0.854 -13.717 1.00 10.00 N ATOM 215 CA ASP A 15 -4.433 1.091 -15.142 1.00 10.00 C ATOM 216 C ASP A 15 -3.242 1.904 -15.593 1.00 10.00 C ATOM 217 O ASP A 15 -3.083 3.063 -15.208 1.00 10.00 O ATOM 218 CB ASP A 15 -5.751 1.811 -15.451 1.00 10.00 C ATOM 219 CG ASP A 15 -5.771 2.484 -16.810 1.00 10.00 C ATOM 220 OD1 ASP A 15 -5.270 1.895 -17.790 1.00 10.00 O ATOM 221 OD2 ASP A 15 -6.318 3.605 -16.904 1.00 10.00 O ATOM 0 H ASP A 15 -4.087 1.694 -13.177 1.00 10.00 H new ATOM 0 HA ASP A 15 -4.458 0.145 -15.682 1.00 10.00 H new ATOM 0 HB2 ASP A 15 -6.569 1.092 -15.399 1.00 10.00 H new ATOM 0 HB3 ASP A 15 -5.935 2.560 -14.681 1.00 10.00 H new ATOM 226 N LYS A 16 -2.398 1.271 -16.383 1.00 10.00 N ATOM 227 CA LYS A 16 -1.175 1.883 -16.882 1.00 10.00 C ATOM 228 C LYS A 16 -1.452 3.127 -17.724 1.00 10.00 C ATOM 229 O LYS A 16 -0.625 4.037 -17.787 1.00 10.00 O ATOM 230 CB LYS A 16 -0.393 0.841 -17.692 1.00 10.00 C ATOM 231 CG LYS A 16 -0.410 1.092 -19.192 1.00 10.00 C ATOM 232 CD LYS A 16 -0.356 -0.205 -19.978 1.00 10.00 C ATOM 233 CE LYS A 16 -0.737 0.005 -21.437 1.00 10.00 C ATOM 234 NZ LYS A 16 -2.212 -0.065 -21.649 1.00 10.00 N ATOM 0 H LYS A 16 -2.539 0.312 -16.701 1.00 10.00 H new ATOM 0 HA LYS A 16 -0.582 2.213 -16.029 1.00 10.00 H new ATOM 0 HB2 LYS A 16 0.641 0.827 -17.347 1.00 10.00 H new ATOM 0 HB3 LYS A 16 -0.809 -0.147 -17.493 1.00 10.00 H new ATOM 0 HG2 LYS A 16 -1.312 1.642 -19.459 1.00 10.00 H new ATOM 0 HG3 LYS A 16 0.438 1.719 -19.466 1.00 10.00 H new ATOM 0 HD2 LYS A 16 0.649 -0.624 -19.921 1.00 10.00 H new ATOM 0 HD3 LYS A 16 -1.031 -0.933 -19.527 1.00 10.00 H new ATOM 0 HE2 LYS A 16 -0.369 0.975 -21.771 1.00 10.00 H new ATOM 0 HE3 LYS A 16 -0.247 -0.750 -22.051 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 -2.418 -0.702 -22.445 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 -2.670 -0.427 -20.788 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 -2.578 0.885 -21.862 1.00 10.00 H new ATOM 248 N ASP A 17 -2.621 3.179 -18.349 1.00 10.00 N ATOM 249 CA ASP A 17 -2.974 4.312 -19.192 1.00 10.00 C ATOM 250 C ASP A 17 -3.233 5.546 -18.341 1.00 10.00 C ATOM 251 O ASP A 17 -3.026 6.679 -18.782 1.00 10.00 O ATOM 252 CB ASP A 17 -4.205 3.995 -20.030 1.00 10.00 C ATOM 253 CG ASP A 17 -3.854 3.335 -21.350 1.00 10.00 C ATOM 254 OD1 ASP A 17 -3.745 2.089 -21.391 1.00 10.00 O ATOM 255 OD2 ASP A 17 -3.687 4.055 -22.352 1.00 10.00 O ATOM 0 H ASP A 17 -3.336 2.454 -18.289 1.00 10.00 H new ATOM 0 HA ASP A 17 -2.137 4.511 -19.861 1.00 10.00 H new ATOM 0 HB2 ASP A 17 -4.867 3.339 -19.464 1.00 10.00 H new ATOM 0 HB3 ASP A 17 -4.756 4.915 -20.223 1.00 10.00 H new ATOM 260 N LYS A 18 -3.698 5.315 -17.124 1.00 10.00 N ATOM 261 CA LYS A 18 -3.978 6.395 -16.191 1.00 10.00 C ATOM 262 C LYS A 18 -2.716 6.731 -15.396 1.00 10.00 C ATOM 263 O LYS A 18 -1.954 5.836 -15.014 1.00 10.00 O ATOM 264 CB LYS A 18 -5.155 6.016 -15.276 1.00 10.00 C ATOM 265 CG LYS A 18 -4.770 5.599 -13.862 1.00 10.00 C ATOM 266 CD LYS A 18 -5.914 4.900 -13.116 1.00 10.00 C ATOM 267 CE LYS A 18 -7.295 5.372 -13.564 1.00 10.00 C ATOM 268 NZ LYS A 18 -7.877 4.493 -14.619 1.00 10.00 N ATOM 0 H LYS A 18 -3.891 4.383 -16.757 1.00 10.00 H new ATOM 0 HA LYS A 18 -4.272 7.289 -16.741 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -5.835 6.866 -15.214 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -5.707 5.199 -15.741 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -3.910 4.931 -13.907 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -4.461 6.480 -13.300 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -5.836 3.824 -13.270 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -5.805 5.078 -12.046 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -7.965 5.397 -12.704 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -7.223 6.392 -13.942 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -8.588 5.025 -15.160 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -7.123 4.173 -15.259 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -8.327 3.668 -14.174 1.00 10.00 H new ATOM 282 N PRO A 19 -2.460 8.027 -15.150 1.00 10.00 N ATOM 283 CA PRO A 19 -1.258 8.462 -14.430 1.00 10.00 C ATOM 284 C PRO A 19 -1.327 8.267 -12.911 1.00 10.00 C ATOM 285 O PRO A 19 -1.510 9.226 -12.161 1.00 10.00 O ATOM 286 CB PRO A 19 -1.185 9.952 -14.772 1.00 10.00 C ATOM 287 CG PRO A 19 -2.595 10.369 -15.005 1.00 10.00 C ATOM 288 CD PRO A 19 -3.310 9.165 -15.558 1.00 10.00 C ATOM 0 HA PRO A 19 -0.388 7.876 -14.725 1.00 10.00 H new ATOM 0 HB2 PRO A 19 -0.735 10.521 -13.958 1.00 10.00 H new ATOM 0 HB3 PRO A 19 -0.572 10.123 -15.657 1.00 10.00 H new ATOM 0 HG2 PRO A 19 -3.059 10.704 -14.077 1.00 10.00 H new ATOM 0 HG3 PRO A 19 -2.642 11.204 -15.704 1.00 10.00 H new ATOM 0 HD2 PRO A 19 -4.317 9.077 -15.151 1.00 10.00 H new ATOM 0 HD3 PRO A 19 -3.408 9.222 -16.642 1.00 10.00 H new ATOM 296 N VAL A 20 -1.159 7.026 -12.461 1.00 10.00 N ATOM 297 CA VAL A 20 -1.156 6.718 -11.033 1.00 10.00 C ATOM 298 C VAL A 20 -0.264 5.514 -10.757 1.00 10.00 C ATOM 299 O VAL A 20 -0.092 4.640 -11.610 1.00 10.00 O ATOM 300 CB VAL A 20 -2.565 6.447 -10.410 1.00 10.00 C ATOM 301 CG1 VAL A 20 -3.610 7.449 -10.873 1.00 10.00 C ATOM 302 CG2 VAL A 20 -3.029 5.020 -10.663 1.00 10.00 C ATOM 0 H VAL A 20 -1.023 6.216 -13.066 1.00 10.00 H new ATOM 0 HA VAL A 20 -0.775 7.621 -10.555 1.00 10.00 H new ATOM 0 HB VAL A 20 -2.452 6.577 -9.334 1.00 10.00 H new ATOM 0 HG11 VAL A 20 -4.569 7.215 -10.411 1.00 10.00 H new ATOM 0 HG12 VAL A 20 -3.304 8.454 -10.584 1.00 10.00 H new ATOM 0 HG13 VAL A 20 -3.708 7.398 -11.957 1.00 10.00 H new ATOM 0 HG21 VAL A 20 -4.011 4.872 -10.215 1.00 10.00 H new ATOM 0 HG22 VAL A 20 -3.090 4.842 -11.737 1.00 10.00 H new ATOM 0 HG23 VAL A 20 -2.319 4.322 -10.219 1.00 10.00 H new ATOM 312 N SER A 21 0.325 5.502 -9.577 1.00 10.00 N ATOM 313 CA SER A 21 1.181 4.413 -9.141 1.00 10.00 C ATOM 314 C SER A 21 0.635 3.872 -7.827 1.00 10.00 C ATOM 315 O SER A 21 -0.146 4.556 -7.167 1.00 10.00 O ATOM 316 CB SER A 21 2.613 4.912 -8.956 1.00 10.00 C ATOM 317 OG SER A 21 2.621 6.231 -8.432 1.00 10.00 O ATOM 0 H SER A 21 0.224 6.249 -8.890 1.00 10.00 H new ATOM 0 HA SER A 21 1.193 3.622 -9.891 1.00 10.00 H new ATOM 0 HB2 SER A 21 3.152 4.245 -8.283 1.00 10.00 H new ATOM 0 HB3 SER A 21 3.137 4.892 -9.912 1.00 10.00 H new ATOM 0 HG SER A 21 3.547 6.532 -8.319 1.00 10.00 H new ATOM 323 N PHE A 22 1.034 2.673 -7.434 1.00 10.00 N ATOM 324 CA PHE A 22 0.542 2.105 -6.188 1.00 10.00 C ATOM 325 C PHE A 22 1.647 2.071 -5.128 1.00 10.00 C ATOM 326 O PHE A 22 2.829 2.239 -5.433 1.00 10.00 O ATOM 327 CB PHE A 22 -0.067 0.714 -6.431 1.00 10.00 C ATOM 328 CG PHE A 22 -1.569 0.730 -6.594 1.00 10.00 C ATOM 329 CD1 PHE A 22 -2.401 0.701 -5.485 1.00 10.00 C ATOM 330 CD2 PHE A 22 -2.149 0.770 -7.855 1.00 10.00 C ATOM 331 CE1 PHE A 22 -3.778 0.710 -5.627 1.00 10.00 C ATOM 332 CE2 PHE A 22 -3.528 0.777 -8.004 1.00 10.00 C ATOM 333 CZ PHE A 22 -4.339 0.748 -6.888 1.00 10.00 C ATOM 0 H PHE A 22 1.686 2.082 -7.949 1.00 10.00 H new ATOM 0 HA PHE A 22 -0.251 2.746 -5.803 1.00 10.00 H new ATOM 0 HB2 PHE A 22 0.382 0.281 -7.325 1.00 10.00 H new ATOM 0 HB3 PHE A 22 0.192 0.062 -5.597 1.00 10.00 H new ATOM 0 HD1 PHE A 22 -1.968 0.671 -4.496 1.00 10.00 H new ATOM 0 HD2 PHE A 22 -1.518 0.796 -8.731 1.00 10.00 H new ATOM 0 HE1 PHE A 22 -4.412 0.687 -4.753 1.00 10.00 H new ATOM 0 HE2 PHE A 22 -3.966 0.805 -8.991 1.00 10.00 H new ATOM 0 HZ PHE A 22 -5.413 0.755 -7.001 1.00 10.00 H new ATOM 343 N HIS A 23 1.227 1.943 -3.874 1.00 10.00 N ATOM 344 CA HIS A 23 2.128 1.915 -2.706 1.00 10.00 C ATOM 345 C HIS A 23 1.419 1.254 -1.552 1.00 10.00 C ATOM 346 O HIS A 23 0.261 0.943 -1.662 1.00 10.00 O ATOM 347 CB HIS A 23 2.497 3.316 -2.217 1.00 10.00 C ATOM 348 CG HIS A 23 2.130 4.418 -3.133 1.00 10.00 C ATOM 349 ND1 HIS A 23 2.874 5.190 -3.953 1.00 10.00 N flip ATOM 350 CD2 HIS A 23 0.836 4.811 -3.296 1.00 10.00 C flip ATOM 351 CE1 HIS A 23 2.005 6.032 -4.594 1.00 10.00 C flip ATOM 352 NE2 HIS A 23 0.782 5.772 -4.171 1.00 10.00 N flip ATOM 0 H HIS A 23 0.241 1.854 -3.627 1.00 10.00 H new ATOM 0 HA HIS A 23 3.026 1.384 -3.020 1.00 10.00 H new ATOM 0 HB2 HIS A 23 2.013 3.487 -1.255 1.00 10.00 H new ATOM 0 HB3 HIS A 23 3.573 3.352 -2.043 1.00 10.00 H new ATOM 0 HD1 HIS A 23 3.886 5.153 -4.072 1.00 10.00 H new ATOM 0 HD2 HIS A 23 -0.014 4.390 -2.779 1.00 10.00 H new ATOM 0 HE1 HIS A 23 2.275 6.782 -5.323 1.00 10.00 H new ATOM 361 N LYS A 24 2.100 1.070 -0.445 1.00 10.00 N ATOM 362 CA LYS A 24 1.474 0.486 0.729 1.00 10.00 C ATOM 363 C LYS A 24 1.314 1.590 1.781 1.00 10.00 C ATOM 364 O LYS A 24 1.878 2.672 1.611 1.00 10.00 O ATOM 365 CB LYS A 24 2.322 -0.661 1.281 1.00 10.00 C ATOM 366 CG LYS A 24 1.847 -2.034 0.831 1.00 10.00 C ATOM 367 CD LYS A 24 2.951 -3.072 0.941 1.00 10.00 C ATOM 368 CE LYS A 24 3.431 -3.246 2.375 1.00 10.00 C ATOM 369 NZ LYS A 24 4.671 -4.065 2.443 1.00 10.00 N ATOM 0 H LYS A 24 3.084 1.313 -0.328 1.00 10.00 H new ATOM 0 HA LYS A 24 0.500 0.075 0.465 1.00 10.00 H new ATOM 0 HB2 LYS A 24 3.357 -0.522 0.967 1.00 10.00 H new ATOM 0 HB3 LYS A 24 2.311 -0.620 2.370 1.00 10.00 H new ATOM 0 HG2 LYS A 24 0.996 -2.342 1.438 1.00 10.00 H new ATOM 0 HG3 LYS A 24 1.500 -1.979 -0.201 1.00 10.00 H new ATOM 0 HD2 LYS A 24 2.589 -4.028 0.562 1.00 10.00 H new ATOM 0 HD3 LYS A 24 3.790 -2.776 0.311 1.00 10.00 H new ATOM 0 HE2 LYS A 24 3.616 -2.268 2.818 1.00 10.00 H new ATOM 0 HE3 LYS A 24 2.648 -3.721 2.966 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 4.969 -4.163 3.435 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 4.487 -5.007 2.042 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 5.425 -3.599 1.899 1.00 10.00 H new ATOM 383 N PHE A 25 0.532 1.353 2.834 1.00 10.00 N ATOM 384 CA PHE A 25 0.352 2.361 3.890 1.00 10.00 C ATOM 385 C PHE A 25 1.690 2.715 4.530 1.00 10.00 C ATOM 386 O PHE A 25 2.650 1.941 4.452 1.00 10.00 O ATOM 387 CB PHE A 25 -0.550 1.836 5.010 1.00 10.00 C ATOM 388 CG PHE A 25 -1.962 2.384 5.027 1.00 10.00 C ATOM 389 CD1 PHE A 25 -2.869 2.029 4.055 1.00 10.00 C ATOM 390 CD2 PHE A 25 -2.381 3.242 6.033 1.00 10.00 C ATOM 391 CE1 PHE A 25 -4.164 2.519 4.068 1.00 10.00 C ATOM 392 CE2 PHE A 25 -3.674 3.731 6.056 1.00 10.00 C ATOM 393 CZ PHE A 25 -4.564 3.372 5.070 1.00 10.00 C ATOM 0 H PHE A 25 0.017 0.485 2.982 1.00 10.00 H new ATOM 0 HA PHE A 25 -0.098 3.233 3.415 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -0.602 0.750 4.931 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -0.080 2.063 5.967 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -2.565 1.356 3.267 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -1.688 3.532 6.809 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -4.859 2.232 3.293 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -3.986 4.395 6.848 1.00 10.00 H new ATOM 0 HZ PHE A 25 -5.572 3.758 5.083 1.00 10.00 H new ATOM 403 N PRO A 26 1.780 3.895 5.162 1.00 10.00 N ATOM 404 CA PRO A 26 2.984 4.319 5.874 1.00 10.00 C ATOM 405 C PRO A 26 3.158 3.498 7.147 1.00 10.00 C ATOM 406 O PRO A 26 2.936 3.988 8.253 1.00 10.00 O ATOM 407 CB PRO A 26 2.684 5.778 6.221 1.00 10.00 C ATOM 408 CG PRO A 26 1.207 5.833 6.303 1.00 10.00 C ATOM 409 CD PRO A 26 0.727 4.929 5.215 1.00 10.00 C ATOM 0 HA PRO A 26 3.898 4.192 5.294 1.00 10.00 H new ATOM 0 HB2 PRO A 26 3.147 6.067 7.165 1.00 10.00 H new ATOM 0 HB3 PRO A 26 3.066 6.456 5.458 1.00 10.00 H new ATOM 0 HG2 PRO A 26 0.853 5.500 7.278 1.00 10.00 H new ATOM 0 HG3 PRO A 26 0.841 6.850 6.162 1.00 10.00 H new ATOM 0 HD2 PRO A 26 -0.249 4.501 5.445 1.00 10.00 H new ATOM 0 HD3 PRO A 26 0.628 5.455 4.266 1.00 10.00 H new ATOM 417 N LEU A 27 3.563 2.248 6.988 1.00 10.00 N ATOM 418 CA LEU A 27 3.728 1.352 8.114 1.00 10.00 C ATOM 419 C LEU A 27 4.868 1.808 8.995 1.00 10.00 C ATOM 420 O LEU A 27 4.902 1.533 10.192 1.00 10.00 O ATOM 421 CB LEU A 27 3.957 -0.067 7.613 1.00 10.00 C ATOM 422 CG LEU A 27 2.677 -0.805 7.214 1.00 10.00 C ATOM 423 CD1 LEU A 27 2.993 -2.226 6.774 1.00 10.00 C ATOM 424 CD2 LEU A 27 1.694 -0.790 8.373 1.00 10.00 C ATOM 0 H LEU A 27 3.784 1.832 6.083 1.00 10.00 H new ATOM 0 HA LEU A 27 2.819 1.366 8.716 1.00 10.00 H new ATOM 0 HB2 LEU A 27 4.627 -0.033 6.754 1.00 10.00 H new ATOM 0 HB3 LEU A 27 4.465 -0.638 8.391 1.00 10.00 H new ATOM 0 HG LEU A 27 2.218 -0.295 6.367 1.00 10.00 H new ATOM 0 HD11 LEU A 27 2.070 -2.734 6.494 1.00 10.00 H new ATOM 0 HD12 LEU A 27 3.667 -2.200 5.918 1.00 10.00 H new ATOM 0 HD13 LEU A 27 3.469 -2.764 7.594 1.00 10.00 H new ATOM 0 HD21 LEU A 27 0.784 -1.316 8.085 1.00 10.00 H new ATOM 0 HD22 LEU A 27 2.141 -1.284 9.236 1.00 10.00 H new ATOM 0 HD23 LEU A 27 1.451 0.241 8.631 1.00 10.00 H new ATOM 436 N THR A 28 5.792 2.521 8.393 1.00 10.00 N ATOM 437 CA THR A 28 6.933 3.041 9.104 1.00 10.00 C ATOM 438 C THR A 28 6.637 4.448 9.630 1.00 10.00 C ATOM 439 O THR A 28 7.507 5.128 10.167 1.00 10.00 O ATOM 440 CB THR A 28 8.159 3.040 8.180 1.00 10.00 C ATOM 441 OG1 THR A 28 7.985 3.994 7.124 1.00 10.00 O ATOM 442 CG2 THR A 28 8.343 1.655 7.579 1.00 10.00 C ATOM 0 H THR A 28 5.773 2.755 7.400 1.00 10.00 H new ATOM 0 HA THR A 28 7.146 2.404 9.963 1.00 10.00 H new ATOM 0 HB THR A 28 9.039 3.309 8.764 1.00 10.00 H new ATOM 0 HG1 THR A 28 8.774 3.986 6.542 1.00 10.00 H new ATOM 0 HG21 THR A 28 9.214 1.656 6.923 1.00 10.00 H new ATOM 0 HG22 THR A 28 8.491 0.928 8.378 1.00 10.00 H new ATOM 0 HG23 THR A 28 7.456 1.387 7.005 1.00 10.00 H new ATOM 450 N ARG A 29 5.377 4.850 9.495 1.00 10.00 N ATOM 451 CA ARG A 29 4.900 6.151 9.940 1.00 10.00 C ATOM 452 C ARG A 29 3.509 5.969 10.538 1.00 10.00 C ATOM 453 O ARG A 29 2.557 6.570 10.071 1.00 10.00 O ATOM 454 CB ARG A 29 4.820 7.103 8.739 1.00 10.00 C ATOM 455 CG ARG A 29 5.941 8.113 8.640 1.00 10.00 C ATOM 456 CD ARG A 29 5.710 9.281 9.573 1.00 10.00 C ATOM 457 NE ARG A 29 6.802 9.434 10.526 1.00 10.00 N ATOM 458 CZ ARG A 29 7.954 10.054 10.262 1.00 10.00 C ATOM 459 NH1 ARG A 29 8.147 10.627 9.078 1.00 10.00 N ATOM 460 NH2 ARG A 29 8.906 10.098 11.186 1.00 10.00 N ATOM 0 H ARG A 29 4.652 4.273 9.068 1.00 10.00 H new ATOM 0 HA ARG A 29 5.579 6.570 10.683 1.00 10.00 H new ATOM 0 HB2 ARG A 29 4.807 6.509 7.825 1.00 10.00 H new ATOM 0 HB3 ARG A 29 3.872 7.640 8.784 1.00 10.00 H new ATOM 0 HG2 ARG A 29 6.889 7.633 8.882 1.00 10.00 H new ATOM 0 HG3 ARG A 29 6.019 8.474 7.614 1.00 10.00 H new ATOM 0 HD2 ARG A 29 5.604 10.196 8.991 1.00 10.00 H new ATOM 0 HD3 ARG A 29 4.774 9.136 10.112 1.00 10.00 H new ATOM 0 HE ARG A 29 6.677 9.040 11.459 1.00 10.00 H new ATOM 0 HH11 ARG A 29 7.414 10.593 8.370 1.00 10.00 H new ATOM 0 HH12 ARG A 29 9.028 11.100 8.878 1.00 10.00 H new ATOM 0 HH21 ARG A 29 8.756 9.659 12.094 1.00 10.00 H new ATOM 0 HH22 ARG A 29 9.788 10.571 10.988 1.00 10.00 H new ATOM 474 N PRO A 30 3.392 5.142 11.588 1.00 10.00 N ATOM 475 CA PRO A 30 2.112 4.806 12.231 1.00 10.00 C ATOM 476 C PRO A 30 1.204 5.987 12.577 1.00 10.00 C ATOM 477 O PRO A 30 0.072 6.025 12.125 1.00 10.00 O ATOM 478 CB PRO A 30 2.517 4.091 13.511 1.00 10.00 C ATOM 479 CG PRO A 30 3.996 4.255 13.634 1.00 10.00 C ATOM 480 CD PRO A 30 4.508 4.463 12.251 1.00 10.00 C ATOM 0 HA PRO A 30 1.513 4.220 11.534 1.00 10.00 H new ATOM 0 HB2 PRO A 30 2.006 4.519 14.373 1.00 10.00 H new ATOM 0 HB3 PRO A 30 2.245 3.036 13.470 1.00 10.00 H new ATOM 0 HG2 PRO A 30 4.242 5.104 14.272 1.00 10.00 H new ATOM 0 HG3 PRO A 30 4.449 3.374 14.088 1.00 10.00 H new ATOM 0 HD2 PRO A 30 5.413 5.070 12.242 1.00 10.00 H new ATOM 0 HD3 PRO A 30 4.753 3.519 11.765 1.00 10.00 H new ATOM 488 N SER A 31 1.668 6.926 13.398 1.00 10.00 N ATOM 489 CA SER A 31 0.846 8.080 13.768 1.00 10.00 C ATOM 490 C SER A 31 0.282 8.720 12.511 1.00 10.00 C ATOM 491 O SER A 31 -0.919 8.955 12.398 1.00 10.00 O ATOM 492 CB SER A 31 1.691 9.075 14.559 1.00 10.00 C ATOM 493 OG SER A 31 2.831 8.431 15.107 1.00 10.00 O ATOM 0 H SER A 31 2.598 6.914 13.817 1.00 10.00 H new ATOM 0 HA SER A 31 0.014 7.761 14.396 1.00 10.00 H new ATOM 0 HB2 SER A 31 2.004 9.892 13.910 1.00 10.00 H new ATOM 0 HB3 SER A 31 1.094 9.514 15.358 1.00 10.00 H new ATOM 0 HG SER A 31 3.364 9.082 15.610 1.00 10.00 H new ATOM 499 N LEU A 32 1.153 8.921 11.545 1.00 10.00 N ATOM 500 CA LEU A 32 0.770 9.491 10.274 1.00 10.00 C ATOM 501 C LEU A 32 -0.166 8.515 9.553 1.00 10.00 C ATOM 502 O LEU A 32 -1.148 8.916 8.938 1.00 10.00 O ATOM 503 CB LEU A 32 2.047 9.785 9.469 1.00 10.00 C ATOM 504 CG LEU A 32 1.881 10.374 8.067 1.00 10.00 C ATOM 505 CD1 LEU A 32 1.836 9.271 7.033 1.00 10.00 C ATOM 506 CD2 LEU A 32 0.650 11.255 7.989 1.00 10.00 C ATOM 0 H LEU A 32 2.145 8.694 11.620 1.00 10.00 H new ATOM 0 HA LEU A 32 0.229 10.429 10.401 1.00 10.00 H new ATOM 0 HB2 LEU A 32 2.660 10.472 10.052 1.00 10.00 H new ATOM 0 HB3 LEU A 32 2.608 8.855 9.378 1.00 10.00 H new ATOM 0 HG LEU A 32 2.746 11.002 7.853 1.00 10.00 H new ATOM 0 HD11 LEU A 32 1.718 9.707 6.041 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.763 8.700 7.070 1.00 10.00 H new ATOM 0 HD13 LEU A 32 0.994 8.611 7.242 1.00 10.00 H new ATOM 0 HD21 LEU A 32 0.556 11.661 6.982 1.00 10.00 H new ATOM 0 HD22 LEU A 32 -0.235 10.665 8.227 1.00 10.00 H new ATOM 0 HD23 LEU A 32 0.743 12.074 8.703 1.00 10.00 H new ATOM 518 N CYS A 33 0.100 7.228 9.720 1.00 10.00 N ATOM 519 CA CYS A 33 -0.697 6.181 9.101 1.00 10.00 C ATOM 520 C CYS A 33 -2.117 6.300 9.593 1.00 10.00 C ATOM 521 O CYS A 33 -3.089 6.144 8.852 1.00 10.00 O ATOM 522 CB CYS A 33 -0.144 4.819 9.532 1.00 10.00 C ATOM 523 SG CYS A 33 -0.991 3.395 8.821 1.00 10.00 S ATOM 0 H CYS A 33 0.873 6.881 10.288 1.00 10.00 H new ATOM 0 HA CYS A 33 -0.662 6.276 8.016 1.00 10.00 H new ATOM 0 HB2 CYS A 33 0.910 4.769 9.260 1.00 10.00 H new ATOM 0 HB3 CYS A 33 -0.197 4.749 10.618 1.00 10.00 H new ATOM 0 HG CYS A 33 -1.429 3.698 7.635 1.00 10.00 H new ATOM 529 N LYS A 34 -2.194 6.659 10.850 1.00 10.00 N ATOM 530 CA LYS A 34 -3.427 6.776 11.559 1.00 10.00 C ATOM 531 C LYS A 34 -4.304 7.906 11.041 1.00 10.00 C ATOM 532 O LYS A 34 -5.529 7.773 11.024 1.00 10.00 O ATOM 533 CB LYS A 34 -3.094 6.956 13.030 1.00 10.00 C ATOM 534 CG LYS A 34 -4.173 7.635 13.841 1.00 10.00 C ATOM 535 CD LYS A 34 -3.550 8.639 14.792 1.00 10.00 C ATOM 536 CE LYS A 34 -4.290 8.692 16.120 1.00 10.00 C ATOM 537 NZ LYS A 34 -4.034 7.484 16.949 1.00 10.00 N ATOM 0 H LYS A 34 -1.375 6.882 11.416 1.00 10.00 H new ATOM 0 HA LYS A 34 -4.015 5.871 11.407 1.00 10.00 H new ATOM 0 HB2 LYS A 34 -2.892 5.977 13.466 1.00 10.00 H new ATOM 0 HB3 LYS A 34 -2.176 7.537 13.113 1.00 10.00 H new ATOM 0 HG2 LYS A 34 -4.877 8.138 13.177 1.00 10.00 H new ATOM 0 HG3 LYS A 34 -4.740 6.892 14.403 1.00 10.00 H new ATOM 0 HD2 LYS A 34 -2.507 8.375 14.967 1.00 10.00 H new ATOM 0 HD3 LYS A 34 -3.556 9.627 14.333 1.00 10.00 H new ATOM 0 HE2 LYS A 34 -3.983 9.581 16.671 1.00 10.00 H new ATOM 0 HE3 LYS A 34 -5.360 8.785 15.935 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 -4.369 7.652 17.919 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 -4.540 6.671 16.544 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 -3.014 7.283 16.964 1.00 10.00 H new ATOM 551 N GLU A 35 -3.725 9.004 10.562 1.00 10.00 N ATOM 552 CA GLU A 35 -4.590 10.076 10.094 1.00 10.00 C ATOM 553 C GLU A 35 -5.210 9.688 8.776 1.00 10.00 C ATOM 554 O GLU A 35 -6.231 10.249 8.379 1.00 10.00 O ATOM 555 CB GLU A 35 -3.911 11.432 9.969 1.00 10.00 C ATOM 556 CG GLU A 35 -2.429 11.380 9.695 1.00 10.00 C ATOM 557 CD GLU A 35 -1.728 12.646 10.139 1.00 10.00 C ATOM 558 OE1 GLU A 35 -2.053 13.729 9.611 1.00 10.00 O ATOM 559 OE2 GLU A 35 -0.879 12.568 11.049 1.00 10.00 O ATOM 0 H GLU A 35 -2.721 9.169 10.490 1.00 10.00 H new ATOM 0 HA GLU A 35 -5.352 10.201 10.863 1.00 10.00 H new ATOM 0 HB2 GLU A 35 -4.394 11.991 9.167 1.00 10.00 H new ATOM 0 HB3 GLU A 35 -4.075 11.990 10.891 1.00 10.00 H new ATOM 0 HG2 GLU A 35 -1.994 10.524 10.211 1.00 10.00 H new ATOM 0 HG3 GLU A 35 -2.262 11.227 8.629 1.00 10.00 H new ATOM 566 N TRP A 36 -4.614 8.714 8.096 1.00 10.00 N ATOM 567 CA TRP A 36 -5.175 8.261 6.844 1.00 10.00 C ATOM 568 C TRP A 36 -6.549 7.688 7.137 1.00 10.00 C ATOM 569 O TRP A 36 -7.475 7.843 6.348 1.00 10.00 O ATOM 570 CB TRP A 36 -4.267 7.238 6.151 1.00 10.00 C ATOM 571 CG TRP A 36 -2.965 7.827 5.685 1.00 10.00 C ATOM 572 CD1 TRP A 36 -2.289 8.859 6.268 1.00 10.00 C ATOM 573 CD2 TRP A 36 -2.184 7.432 4.546 1.00 10.00 C ATOM 574 NE1 TRP A 36 -1.144 9.133 5.572 1.00 10.00 N ATOM 575 CE2 TRP A 36 -1.049 8.270 4.517 1.00 10.00 C ATOM 576 CE3 TRP A 36 -2.324 6.456 3.548 1.00 10.00 C ATOM 577 CZ2 TRP A 36 -0.067 8.164 3.541 1.00 10.00 C ATOM 578 CZ3 TRP A 36 -1.344 6.356 2.577 1.00 10.00 C ATOM 579 CH2 TRP A 36 -0.227 7.206 2.582 1.00 10.00 C ATOM 0 H TRP A 36 -3.761 8.237 8.388 1.00 10.00 H new ATOM 0 HA TRP A 36 -5.261 9.097 6.149 1.00 10.00 H new ATOM 0 HB2 TRP A 36 -4.062 6.418 6.839 1.00 10.00 H new ATOM 0 HB3 TRP A 36 -4.794 6.814 5.296 1.00 10.00 H new ATOM 0 HD1 TRP A 36 -2.612 9.385 7.154 1.00 10.00 H new ATOM 0 HE1 TRP A 36 -0.470 9.863 5.803 1.00 10.00 H new ATOM 0 HE3 TRP A 36 -3.179 5.796 3.538 1.00 10.00 H new ATOM 0 HZ2 TRP A 36 0.793 8.817 3.541 1.00 10.00 H new ATOM 0 HZ3 TRP A 36 -1.440 5.611 1.801 1.00 10.00 H new ATOM 0 HH2 TRP A 36 0.522 7.100 1.811 1.00 10.00 H new ATOM 590 N GLU A 37 -6.692 7.122 8.341 1.00 10.00 N ATOM 591 CA GLU A 37 -7.958 6.554 8.770 1.00 10.00 C ATOM 592 C GLU A 37 -8.985 7.678 8.871 1.00 10.00 C ATOM 593 O GLU A 37 -10.157 7.503 8.543 1.00 10.00 O ATOM 594 CB GLU A 37 -7.827 5.861 10.135 1.00 10.00 C ATOM 595 CG GLU A 37 -6.552 5.053 10.323 1.00 10.00 C ATOM 596 CD GLU A 37 -6.693 3.587 9.977 1.00 10.00 C ATOM 597 OE1 GLU A 37 -7.551 2.912 10.582 1.00 10.00 O ATOM 598 OE2 GLU A 37 -5.911 3.088 9.145 1.00 10.00 O ATOM 0 H GLU A 37 -5.942 7.049 9.029 1.00 10.00 H new ATOM 0 HA GLU A 37 -8.272 5.806 8.042 1.00 10.00 H new ATOM 0 HB2 GLU A 37 -7.879 6.618 10.917 1.00 10.00 H new ATOM 0 HB3 GLU A 37 -8.683 5.200 10.274 1.00 10.00 H new ATOM 0 HG2 GLU A 37 -5.765 5.487 9.706 1.00 10.00 H new ATOM 0 HG3 GLU A 37 -6.228 5.141 11.360 1.00 10.00 H new ATOM 605 N ALA A 38 -8.500 8.855 9.277 1.00 10.00 N ATOM 606 CA ALA A 38 -9.334 10.036 9.442 1.00 10.00 C ATOM 607 C ALA A 38 -9.910 10.481 8.106 1.00 10.00 C ATOM 608 O ALA A 38 -10.931 11.167 8.048 1.00 10.00 O ATOM 609 CB ALA A 38 -8.539 11.164 10.086 1.00 10.00 C ATOM 0 H ALA A 38 -7.517 9.010 9.499 1.00 10.00 H new ATOM 0 HA ALA A 38 -10.164 9.779 10.101 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -9.178 12.039 10.202 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -8.181 10.844 11.064 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -7.688 11.417 9.453 1.00 10.00 H new ATOM 615 N ALA A 39 -9.246 10.089 7.029 1.00 10.00 N ATOM 616 CA ALA A 39 -9.704 10.428 5.702 1.00 10.00 C ATOM 617 C ALA A 39 -10.700 9.377 5.227 1.00 10.00 C ATOM 618 O ALA A 39 -11.596 9.667 4.435 1.00 10.00 O ATOM 619 CB ALA A 39 -8.529 10.541 4.748 1.00 10.00 C ATOM 0 H ALA A 39 -8.389 9.536 7.054 1.00 10.00 H new ATOM 0 HA ALA A 39 -10.203 11.397 5.726 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -8.892 10.797 3.753 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -7.850 11.319 5.098 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -8.000 9.589 4.708 1.00 10.00 H new ATOM 625 N VAL A 40 -10.552 8.157 5.750 1.00 10.00 N ATOM 626 CA VAL A 40 -11.431 7.044 5.401 1.00 10.00 C ATOM 627 C VAL A 40 -12.621 7.017 6.364 1.00 10.00 C ATOM 628 O VAL A 40 -12.971 5.985 6.935 1.00 10.00 O ATOM 629 CB VAL A 40 -10.695 5.696 5.480 1.00 10.00 C ATOM 630 CG1 VAL A 40 -11.352 4.672 4.577 1.00 10.00 C ATOM 631 CG2 VAL A 40 -9.221 5.837 5.128 1.00 10.00 C ATOM 0 H VAL A 40 -9.824 7.916 6.423 1.00 10.00 H new ATOM 0 HA VAL A 40 -11.769 7.191 4.375 1.00 10.00 H new ATOM 0 HB VAL A 40 -10.761 5.351 6.512 1.00 10.00 H new ATOM 0 HG11 VAL A 40 -10.815 3.726 4.649 1.00 10.00 H new ATOM 0 HG12 VAL A 40 -12.387 4.526 4.885 1.00 10.00 H new ATOM 0 HG13 VAL A 40 -11.327 5.026 3.546 1.00 10.00 H new ATOM 0 HG21 VAL A 40 -8.736 4.863 5.195 1.00 10.00 H new ATOM 0 HG22 VAL A 40 -9.125 6.221 4.112 1.00 10.00 H new ATOM 0 HG23 VAL A 40 -8.745 6.528 5.824 1.00 10.00 H new ATOM 641 N ARG A 41 -13.221 8.178 6.532 1.00 10.00 N ATOM 642 CA ARG A 41 -14.353 8.393 7.441 1.00 10.00 C ATOM 643 C ARG A 41 -15.617 7.603 7.075 1.00 10.00 C ATOM 644 O ARG A 41 -16.619 7.679 7.786 1.00 10.00 O ATOM 645 CB ARG A 41 -14.691 9.892 7.494 1.00 10.00 C ATOM 646 CG ARG A 41 -15.440 10.423 6.272 1.00 10.00 C ATOM 647 CD ARG A 41 -14.546 10.517 5.042 1.00 10.00 C ATOM 648 NE ARG A 41 -15.083 11.435 4.038 1.00 10.00 N ATOM 649 CZ ARG A 41 -14.339 12.109 3.159 1.00 10.00 C ATOM 650 NH1 ARG A 41 -13.018 11.939 3.129 1.00 10.00 N ATOM 651 NH2 ARG A 41 -14.922 12.941 2.301 1.00 10.00 N ATOM 0 H ARG A 41 -12.937 9.022 6.035 1.00 10.00 H new ATOM 0 HA ARG A 41 -14.031 8.022 8.414 1.00 10.00 H new ATOM 0 HB2 ARG A 41 -15.292 10.083 8.383 1.00 10.00 H new ATOM 0 HB3 ARG A 41 -13.765 10.455 7.608 1.00 10.00 H new ATOM 0 HG2 ARG A 41 -16.286 9.770 6.055 1.00 10.00 H new ATOM 0 HG3 ARG A 41 -15.848 11.408 6.498 1.00 10.00 H new ATOM 0 HD2 ARG A 41 -13.552 10.850 5.342 1.00 10.00 H new ATOM 0 HD3 ARG A 41 -14.431 9.526 4.602 1.00 10.00 H new ATOM 0 HE ARG A 41 -16.094 11.569 4.008 1.00 10.00 H new ATOM 0 HH11 ARG A 41 -12.572 11.292 3.779 1.00 10.00 H new ATOM 0 HH12 ARG A 41 -12.452 12.456 2.456 1.00 10.00 H new ATOM 0 HH21 ARG A 41 -15.935 13.062 2.316 1.00 10.00 H new ATOM 0 HH22 ARG A 41 -14.357 13.458 1.628 1.00 10.00 H new ATOM 665 N ARG A 42 -15.586 6.842 5.997 1.00 10.00 N ATOM 666 CA ARG A 42 -16.761 6.085 5.593 1.00 10.00 C ATOM 667 C ARG A 42 -16.943 4.849 6.466 1.00 10.00 C ATOM 668 O ARG A 42 -15.964 4.247 6.907 1.00 10.00 O ATOM 669 CB ARG A 42 -16.665 5.677 4.123 1.00 10.00 C ATOM 670 CG ARG A 42 -18.020 5.435 3.467 1.00 10.00 C ATOM 671 CD ARG A 42 -18.891 6.688 3.460 1.00 10.00 C ATOM 672 NE ARG A 42 -20.291 6.370 3.187 1.00 10.00 N ATOM 673 CZ ARG A 42 -21.316 6.796 3.926 1.00 10.00 C ATOM 674 NH1 ARG A 42 -21.110 7.582 4.979 1.00 10.00 N ATOM 675 NH2 ARG A 42 -22.550 6.432 3.612 1.00 10.00 N ATOM 0 H ARG A 42 -14.773 6.731 5.391 1.00 10.00 H new ATOM 0 HA ARG A 42 -17.630 6.730 5.722 1.00 10.00 H new ATOM 0 HB2 ARG A 42 -16.138 6.456 3.572 1.00 10.00 H new ATOM 0 HB3 ARG A 42 -16.066 4.770 4.045 1.00 10.00 H new ATOM 0 HG2 ARG A 42 -17.870 5.094 2.443 1.00 10.00 H new ATOM 0 HG3 ARG A 42 -18.540 4.636 3.996 1.00 10.00 H new ATOM 0 HD2 ARG A 42 -18.813 7.191 4.424 1.00 10.00 H new ATOM 0 HD3 ARG A 42 -18.522 7.384 2.707 1.00 10.00 H new ATOM 0 HE ARG A 42 -20.498 5.784 2.378 1.00 10.00 H new ATOM 0 HH11 ARG A 42 -20.162 7.864 5.227 1.00 10.00 H new ATOM 0 HH12 ARG A 42 -21.900 7.903 5.538 1.00 10.00 H new ATOM 0 HH21 ARG A 42 -22.714 5.828 2.807 1.00 10.00 H new ATOM 0 HH22 ARG A 42 -23.336 6.756 4.175 1.00 10.00 H new ATOM 689 N LYS A 43 -18.204 4.503 6.731 1.00 10.00 N ATOM 690 CA LYS A 43 -18.540 3.330 7.538 1.00 10.00 C ATOM 691 C LYS A 43 -17.866 2.086 6.978 1.00 10.00 C ATOM 692 O LYS A 43 -17.366 1.240 7.720 1.00 10.00 O ATOM 693 CB LYS A 43 -20.068 3.137 7.576 1.00 10.00 C ATOM 694 CG LYS A 43 -20.576 1.923 6.805 1.00 10.00 C ATOM 695 CD LYS A 43 -21.877 2.218 6.077 1.00 10.00 C ATOM 696 CE LYS A 43 -22.495 0.949 5.511 1.00 10.00 C ATOM 697 NZ LYS A 43 -23.819 1.199 4.887 1.00 10.00 N ATOM 0 H LYS A 43 -19.015 5.023 6.395 1.00 10.00 H new ATOM 0 HA LYS A 43 -18.178 3.490 8.554 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -20.384 3.048 8.616 1.00 10.00 H new ATOM 0 HB3 LYS A 43 -20.544 4.031 7.173 1.00 10.00 H new ATOM 0 HG2 LYS A 43 -19.821 1.608 6.085 1.00 10.00 H new ATOM 0 HG3 LYS A 43 -20.726 1.092 7.494 1.00 10.00 H new ATOM 0 HD2 LYS A 43 -22.580 2.693 6.762 1.00 10.00 H new ATOM 0 HD3 LYS A 43 -21.691 2.926 5.269 1.00 10.00 H new ATOM 0 HE2 LYS A 43 -21.822 0.518 4.770 1.00 10.00 H new ATOM 0 HE3 LYS A 43 -22.604 0.213 6.308 1.00 10.00 H new ATOM 0 HZ1 LYS A 43 -24.202 0.306 4.515 1.00 10.00 H new ATOM 0 HZ2 LYS A 43 -24.471 1.585 5.599 1.00 10.00 H new ATOM 0 HZ3 LYS A 43 -23.713 1.881 4.109 1.00 10.00 H new ATOM 711 N ASN A 44 -17.852 1.991 5.661 1.00 10.00 N ATOM 712 CA ASN A 44 -17.246 0.867 4.989 1.00 10.00 C ATOM 713 C ASN A 44 -15.776 1.146 4.721 1.00 10.00 C ATOM 714 O ASN A 44 -15.357 1.305 3.575 1.00 10.00 O ATOM 715 CB ASN A 44 -17.988 0.536 3.688 1.00 10.00 C ATOM 716 CG ASN A 44 -18.492 1.768 2.965 1.00 10.00 C ATOM 717 OD1 ASN A 44 -19.535 2.322 3.310 1.00 10.00 O ATOM 718 ND2 ASN A 44 -17.763 2.212 1.962 1.00 10.00 N ATOM 0 H ASN A 44 -18.258 2.687 5.036 1.00 10.00 H new ATOM 0 HA ASN A 44 -17.320 -0.004 5.641 1.00 10.00 H new ATOM 0 HB2 ASN A 44 -17.322 -0.019 3.027 1.00 10.00 H new ATOM 0 HB3 ASN A 44 -18.831 -0.117 3.913 1.00 10.00 H new ATOM 0 HD21 ASN A 44 -18.058 3.040 1.444 1.00 10.00 H new ATOM 0 HD22 ASN A 44 -16.903 1.728 1.703 1.00 10.00 H new ATOM 725 N PHE A 45 -15.029 1.284 5.814 1.00 10.00 N ATOM 726 CA PHE A 45 -13.589 1.506 5.763 1.00 10.00 C ATOM 727 C PHE A 45 -12.954 0.407 4.917 1.00 10.00 C ATOM 728 O PHE A 45 -13.194 -0.775 5.148 1.00 10.00 O ATOM 729 CB PHE A 45 -13.031 1.504 7.201 1.00 10.00 C ATOM 730 CG PHE A 45 -11.586 1.909 7.336 1.00 10.00 C ATOM 731 CD1 PHE A 45 -10.581 1.050 6.947 1.00 10.00 C ATOM 732 CD2 PHE A 45 -11.236 3.140 7.866 1.00 10.00 C ATOM 733 CE1 PHE A 45 -9.255 1.400 7.069 1.00 10.00 C ATOM 734 CE2 PHE A 45 -9.908 3.500 7.994 1.00 10.00 C ATOM 735 CZ PHE A 45 -8.916 2.631 7.593 1.00 10.00 C ATOM 0 H PHE A 45 -15.407 1.245 6.760 1.00 10.00 H new ATOM 0 HA PHE A 45 -13.358 2.469 5.308 1.00 10.00 H new ATOM 0 HB2 PHE A 45 -13.637 2.176 7.808 1.00 10.00 H new ATOM 0 HB3 PHE A 45 -13.150 0.504 7.617 1.00 10.00 H new ATOM 0 HD1 PHE A 45 -10.838 0.084 6.539 1.00 10.00 H new ATOM 0 HD2 PHE A 45 -12.009 3.825 8.182 1.00 10.00 H new ATOM 0 HE1 PHE A 45 -8.483 0.713 6.756 1.00 10.00 H new ATOM 0 HE2 PHE A 45 -9.647 4.463 8.408 1.00 10.00 H new ATOM 0 HZ PHE A 45 -7.878 2.912 7.688 1.00 10.00 H new ATOM 745 N LYS A 46 -12.181 0.814 3.922 1.00 10.00 N ATOM 746 CA LYS A 46 -11.522 -0.115 3.004 1.00 10.00 C ATOM 747 C LYS A 46 -10.423 -0.902 3.720 1.00 10.00 C ATOM 748 O LYS A 46 -10.224 -0.711 4.906 1.00 10.00 O ATOM 749 CB LYS A 46 -10.973 0.677 1.822 1.00 10.00 C ATOM 750 CG LYS A 46 -11.590 0.256 0.498 1.00 10.00 C ATOM 751 CD LYS A 46 -12.263 1.413 -0.216 1.00 10.00 C ATOM 752 CE LYS A 46 -13.496 0.957 -0.980 1.00 10.00 C ATOM 753 NZ LYS A 46 -13.263 -0.328 -1.696 1.00 10.00 N ATOM 0 H LYS A 46 -11.990 1.796 3.724 1.00 10.00 H new ATOM 0 HA LYS A 46 -12.241 -0.848 2.637 1.00 10.00 H new ATOM 0 HB2 LYS A 46 -11.159 1.739 1.984 1.00 10.00 H new ATOM 0 HB3 LYS A 46 -9.892 0.546 1.773 1.00 10.00 H new ATOM 0 HG2 LYS A 46 -10.816 -0.164 -0.144 1.00 10.00 H new ATOM 0 HG3 LYS A 46 -12.320 -0.534 0.675 1.00 10.00 H new ATOM 0 HD2 LYS A 46 -12.545 2.175 0.510 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -11.557 1.876 -0.906 1.00 10.00 H new ATOM 0 HE2 LYS A 46 -14.330 0.840 -0.287 1.00 10.00 H new ATOM 0 HE3 LYS A 46 -13.783 1.725 -1.698 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -13.888 -0.382 -2.525 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -12.272 -0.378 -2.006 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -13.466 -1.123 -1.057 1.00 10.00 H new ATOM 767 N PRO A 47 -9.687 -1.806 3.032 1.00 10.00 N ATOM 768 CA PRO A 47 -8.637 -2.593 3.680 1.00 10.00 C ATOM 769 C PRO A 47 -7.653 -1.736 4.467 1.00 10.00 C ATOM 770 O PRO A 47 -7.487 -0.539 4.218 1.00 10.00 O ATOM 771 CB PRO A 47 -7.948 -3.312 2.527 1.00 10.00 C ATOM 772 CG PRO A 47 -8.981 -3.386 1.457 1.00 10.00 C ATOM 773 CD PRO A 47 -9.805 -2.133 1.600 1.00 10.00 C ATOM 0 HA PRO A 47 -9.051 -3.276 4.422 1.00 10.00 H new ATOM 0 HB2 PRO A 47 -7.067 -2.766 2.190 1.00 10.00 H new ATOM 0 HB3 PRO A 47 -7.613 -4.306 2.824 1.00 10.00 H new ATOM 0 HG2 PRO A 47 -8.520 -3.441 0.471 1.00 10.00 H new ATOM 0 HG3 PRO A 47 -9.599 -4.276 1.570 1.00 10.00 H new ATOM 0 HD2 PRO A 47 -9.424 -1.328 0.972 1.00 10.00 H new ATOM 0 HD3 PRO A 47 -10.843 -2.300 1.310 1.00 10.00 H new ATOM 781 N THR A 48 -6.952 -2.394 5.370 1.00 10.00 N ATOM 782 CA THR A 48 -6.038 -1.733 6.277 1.00 10.00 C ATOM 783 C THR A 48 -4.718 -1.373 5.646 1.00 10.00 C ATOM 784 O THR A 48 -4.513 -1.534 4.450 1.00 10.00 O ATOM 785 CB THR A 48 -5.771 -2.637 7.482 1.00 10.00 C ATOM 786 OG1 THR A 48 -4.928 -3.743 7.106 1.00 10.00 O ATOM 787 CG2 THR A 48 -7.075 -3.175 8.000 1.00 10.00 C ATOM 0 H THR A 48 -7.002 -3.405 5.494 1.00 10.00 H new ATOM 0 HA THR A 48 -6.521 -0.802 6.574 1.00 10.00 H new ATOM 0 HB THR A 48 -5.270 -2.051 8.253 1.00 10.00 H new ATOM 0 HG1 THR A 48 -5.019 -4.463 7.765 1.00 10.00 H new ATOM 0 HG21 THR A 48 -6.887 -3.820 8.859 1.00 10.00 H new ATOM 0 HG22 THR A 48 -7.716 -2.347 8.301 1.00 10.00 H new ATOM 0 HG23 THR A 48 -7.569 -3.750 7.216 1.00 10.00 H new ATOM 795 N LYS A 49 -3.812 -0.939 6.499 1.00 10.00 N ATOM 796 CA LYS A 49 -2.486 -0.515 6.102 1.00 10.00 C ATOM 797 C LYS A 49 -1.688 -1.608 5.403 1.00 10.00 C ATOM 798 O LYS A 49 -0.582 -1.360 4.929 1.00 10.00 O ATOM 799 CB LYS A 49 -1.715 0.009 7.316 1.00 10.00 C ATOM 800 CG LYS A 49 -2.043 -0.688 8.626 1.00 10.00 C ATOM 801 CD LYS A 49 -2.705 0.269 9.609 1.00 10.00 C ATOM 802 CE LYS A 49 -4.223 0.207 9.514 1.00 10.00 C ATOM 803 NZ LYS A 49 -4.887 1.064 10.526 1.00 10.00 N ATOM 0 H LYS A 49 -3.980 -0.870 7.503 1.00 10.00 H new ATOM 0 HA LYS A 49 -2.620 0.285 5.374 1.00 10.00 H new ATOM 0 HB2 LYS A 49 -0.647 -0.094 7.123 1.00 10.00 H new ATOM 0 HB3 LYS A 49 -1.918 1.074 7.426 1.00 10.00 H new ATOM 0 HG2 LYS A 49 -2.705 -1.533 8.436 1.00 10.00 H new ATOM 0 HG3 LYS A 49 -1.130 -1.091 9.065 1.00 10.00 H new ATOM 0 HD2 LYS A 49 -2.393 0.023 10.624 1.00 10.00 H new ATOM 0 HD3 LYS A 49 -2.368 1.286 9.410 1.00 10.00 H new ATOM 0 HE2 LYS A 49 -4.535 0.518 8.517 1.00 10.00 H new ATOM 0 HE3 LYS A 49 -4.551 -0.824 9.643 1.00 10.00 H new ATOM 0 HZ1 LYS A 49 -5.858 0.727 10.683 1.00 10.00 H new ATOM 0 HZ2 LYS A 49 -4.357 1.020 11.420 1.00 10.00 H new ATOM 0 HZ3 LYS A 49 -4.912 2.047 10.186 1.00 10.00 H new ATOM 817 N TYR A 50 -2.219 -2.820 5.333 1.00 10.00 N ATOM 818 CA TYR A 50 -1.503 -3.864 4.648 1.00 10.00 C ATOM 819 C TYR A 50 -1.764 -3.766 3.154 1.00 10.00 C ATOM 820 O TYR A 50 -0.923 -4.149 2.349 1.00 10.00 O ATOM 821 CB TYR A 50 -1.922 -5.228 5.138 1.00 10.00 C ATOM 822 CG TYR A 50 -1.393 -5.607 6.494 1.00 10.00 C ATOM 823 CD1 TYR A 50 -0.068 -5.978 6.661 1.00 10.00 C ATOM 824 CD2 TYR A 50 -2.237 -5.654 7.591 1.00 10.00 C ATOM 825 CE1 TYR A 50 0.405 -6.396 7.882 1.00 10.00 C ATOM 826 CE2 TYR A 50 -1.769 -6.057 8.826 1.00 10.00 C ATOM 827 CZ TYR A 50 -0.447 -6.434 8.963 1.00 10.00 C ATOM 828 OH TYR A 50 0.015 -6.897 10.167 1.00 10.00 O ATOM 0 H TYR A 50 -3.117 -3.092 5.732 1.00 10.00 H new ATOM 0 HA TYR A 50 -0.440 -3.736 4.853 1.00 10.00 H new ATOM 0 HB2 TYR A 50 -3.011 -5.269 5.165 1.00 10.00 H new ATOM 0 HB3 TYR A 50 -1.593 -5.974 4.415 1.00 10.00 H new ATOM 0 HD1 TYR A 50 0.605 -5.938 5.817 1.00 10.00 H new ATOM 0 HD2 TYR A 50 -3.274 -5.372 7.479 1.00 10.00 H new ATOM 0 HE1 TYR A 50 1.438 -6.693 7.993 1.00 10.00 H new ATOM 0 HE2 TYR A 50 -2.432 -6.077 9.679 1.00 10.00 H new ATOM 0 HH TYR A 50 -0.706 -6.860 10.830 1.00 10.00 H new ATOM 838 N SER A 51 -2.941 -3.266 2.788 1.00 10.00 N ATOM 839 CA SER A 51 -3.279 -3.132 1.386 1.00 10.00 C ATOM 840 C SER A 51 -2.497 -1.975 0.765 1.00 10.00 C ATOM 841 O SER A 51 -1.808 -1.229 1.463 1.00 10.00 O ATOM 842 CB SER A 51 -4.782 -2.968 1.180 1.00 10.00 C ATOM 843 OG SER A 51 -5.335 -2.066 2.101 1.00 10.00 O ATOM 0 H SER A 51 -3.663 -2.953 3.437 1.00 10.00 H new ATOM 0 HA SER A 51 -2.993 -4.053 0.877 1.00 10.00 H new ATOM 0 HB2 SER A 51 -4.975 -2.617 0.166 1.00 10.00 H new ATOM 0 HB3 SER A 51 -5.271 -3.937 1.280 1.00 10.00 H new ATOM 0 HG SER A 51 -4.648 -1.793 2.744 1.00 10.00 H new ATOM 849 N SER A 52 -2.601 -1.828 -0.539 1.00 10.00 N ATOM 850 CA SER A 52 -1.859 -0.809 -1.246 1.00 10.00 C ATOM 851 C SER A 52 -2.765 0.342 -1.719 1.00 10.00 C ATOM 852 O SER A 52 -3.932 0.133 -2.062 1.00 10.00 O ATOM 853 CB SER A 52 -1.120 -1.488 -2.399 1.00 10.00 C ATOM 854 OG SER A 52 -1.819 -2.670 -2.834 1.00 10.00 O ATOM 0 H SER A 52 -3.196 -2.406 -1.133 1.00 10.00 H new ATOM 0 HA SER A 52 -1.137 -0.340 -0.578 1.00 10.00 H new ATOM 0 HB2 SER A 52 -1.021 -0.792 -3.232 1.00 10.00 H new ATOM 0 HB3 SER A 52 -0.111 -1.753 -2.083 1.00 10.00 H new ATOM 0 HG SER A 52 -1.329 -3.087 -3.573 1.00 10.00 H new ATOM 860 N ILE A 53 -2.200 1.556 -1.722 1.00 10.00 N ATOM 861 CA ILE A 53 -2.912 2.778 -2.093 1.00 10.00 C ATOM 862 C ILE A 53 -2.278 3.372 -3.359 1.00 10.00 C ATOM 863 O ILE A 53 -1.173 2.991 -3.709 1.00 10.00 O ATOM 864 CB ILE A 53 -2.863 3.805 -0.915 1.00 10.00 C ATOM 865 CG1 ILE A 53 -3.512 3.226 0.349 1.00 10.00 C ATOM 866 CG2 ILE A 53 -3.546 5.109 -1.280 1.00 10.00 C ATOM 867 CD1 ILE A 53 -2.663 2.198 1.075 1.00 10.00 C ATOM 0 H ILE A 53 -1.226 1.715 -1.464 1.00 10.00 H new ATOM 0 HA ILE A 53 -3.957 2.545 -2.298 1.00 10.00 H new ATOM 0 HB ILE A 53 -1.811 4.008 -0.717 1.00 10.00 H new ATOM 0 HG12 ILE A 53 -3.737 4.043 1.034 1.00 10.00 H new ATOM 0 HG13 ILE A 53 -4.463 2.768 0.077 1.00 10.00 H new ATOM 0 HG21 ILE A 53 -3.491 5.797 -0.436 1.00 10.00 H new ATOM 0 HG22 ILE A 53 -3.048 5.552 -2.142 1.00 10.00 H new ATOM 0 HG23 ILE A 53 -4.591 4.917 -1.524 1.00 10.00 H new ATOM 0 HD11 ILE A 53 -3.197 1.841 1.956 1.00 10.00 H new ATOM 0 HD12 ILE A 53 -2.459 1.359 0.410 1.00 10.00 H new ATOM 0 HD13 ILE A 53 -1.722 2.655 1.382 1.00 10.00 H new ATOM 879 N CYS A 54 -2.951 4.303 -4.035 1.00 10.00 N ATOM 880 CA CYS A 54 -2.417 4.876 -5.266 1.00 10.00 C ATOM 881 C CYS A 54 -2.067 6.371 -5.114 1.00 10.00 C ATOM 882 O CYS A 54 -2.577 7.062 -4.231 1.00 10.00 O ATOM 883 CB CYS A 54 -3.378 4.629 -6.426 1.00 10.00 C ATOM 884 SG CYS A 54 -4.885 5.598 -6.355 1.00 10.00 S ATOM 0 H CYS A 54 -3.859 4.673 -3.753 1.00 10.00 H new ATOM 0 HA CYS A 54 -1.478 4.370 -5.489 1.00 10.00 H new ATOM 0 HB2 CYS A 54 -2.863 4.847 -7.362 1.00 10.00 H new ATOM 0 HB3 CYS A 54 -3.641 3.571 -6.446 1.00 10.00 H new ATOM 0 HG CYS A 54 -5.864 4.849 -5.942 1.00 10.00 H new ATOM 889 N SER A 55 -1.181 6.827 -6.003 1.00 10.00 N ATOM 890 CA SER A 55 -0.604 8.187 -6.019 1.00 10.00 C ATOM 891 C SER A 55 -1.583 9.355 -5.877 1.00 10.00 C ATOM 892 O SER A 55 -1.443 10.160 -4.963 1.00 10.00 O ATOM 893 CB SER A 55 0.198 8.345 -7.307 1.00 10.00 C ATOM 894 OG SER A 55 -0.594 8.025 -8.436 1.00 10.00 O ATOM 0 H SER A 55 -0.829 6.243 -6.762 1.00 10.00 H new ATOM 0 HA SER A 55 0.008 8.252 -5.120 1.00 10.00 H new ATOM 0 HB2 SER A 55 0.561 9.369 -7.391 1.00 10.00 H new ATOM 0 HB3 SER A 55 1.074 7.697 -7.277 1.00 10.00 H new ATOM 0 HG SER A 55 -0.920 8.851 -8.851 1.00 10.00 H new ATOM 900 N GLU A 56 -2.535 9.446 -6.799 1.00 10.00 N ATOM 901 CA GLU A 56 -3.542 10.523 -6.859 1.00 10.00 C ATOM 902 C GLU A 56 -4.128 10.956 -5.508 1.00 10.00 C ATOM 903 O GLU A 56 -4.698 12.041 -5.408 1.00 10.00 O ATOM 904 CB GLU A 56 -4.678 10.064 -7.759 1.00 10.00 C ATOM 905 CG GLU A 56 -5.008 8.599 -7.568 1.00 10.00 C ATOM 906 CD GLU A 56 -6.489 8.332 -7.457 1.00 10.00 C ATOM 907 OE1 GLU A 56 -7.280 9.120 -7.999 1.00 10.00 O ATOM 908 OE2 GLU A 56 -6.862 7.310 -6.818 1.00 10.00 O ATOM 0 H GLU A 56 -2.639 8.761 -7.548 1.00 10.00 H new ATOM 0 HA GLU A 56 -3.020 11.399 -7.243 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -5.565 10.663 -7.554 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -4.407 10.240 -8.800 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -4.605 8.030 -8.406 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -4.512 8.236 -6.668 1.00 10.00 H new ATOM 915 N HIS A 57 -4.003 10.127 -4.488 1.00 10.00 N ATOM 916 CA HIS A 57 -4.562 10.448 -3.177 1.00 10.00 C ATOM 917 C HIS A 57 -3.683 11.393 -2.359 1.00 10.00 C ATOM 918 O HIS A 57 -4.174 12.048 -1.438 1.00 10.00 O ATOM 919 CB HIS A 57 -4.831 9.165 -2.405 1.00 10.00 C ATOM 920 CG HIS A 57 -5.876 8.331 -3.061 1.00 10.00 C ATOM 921 ND1 HIS A 57 -7.144 8.787 -3.348 1.00 10.00 N ATOM 922 CD2 HIS A 57 -5.810 7.068 -3.544 1.00 10.00 C ATOM 923 CE1 HIS A 57 -7.797 7.809 -3.984 1.00 10.00 C ATOM 924 NE2 HIS A 57 -7.029 6.739 -4.133 1.00 10.00 N ATOM 0 H HIS A 57 -3.522 9.229 -4.536 1.00 10.00 H new ATOM 0 HA HIS A 57 -5.497 10.980 -3.351 1.00 10.00 H new ATOM 0 HB2 HIS A 57 -3.908 8.591 -2.322 1.00 10.00 H new ATOM 0 HB3 HIS A 57 -5.146 9.411 -1.391 1.00 10.00 H new ATOM 0 HD2 HIS A 57 -4.949 6.419 -3.483 1.00 10.00 H new ATOM 0 HE1 HIS A 57 -8.817 7.881 -4.331 1.00 10.00 H new ATOM 0 HE2 HIS A 57 -7.278 5.859 -4.584 1.00 10.00 H new ATOM 932 N PHE A 58 -2.403 11.473 -2.680 1.00 10.00 N ATOM 933 CA PHE A 58 -1.501 12.356 -1.952 1.00 10.00 C ATOM 934 C PHE A 58 -0.715 13.210 -2.917 1.00 10.00 C ATOM 935 O PHE A 58 -0.625 12.908 -4.107 1.00 10.00 O ATOM 936 CB PHE A 58 -0.523 11.579 -1.055 1.00 10.00 C ATOM 937 CG PHE A 58 -0.600 10.093 -1.204 1.00 10.00 C ATOM 938 CD1 PHE A 58 0.078 9.481 -2.231 1.00 10.00 C ATOM 939 CD2 PHE A 58 -1.337 9.314 -0.330 1.00 10.00 C ATOM 940 CE1 PHE A 58 0.030 8.122 -2.394 1.00 10.00 C ATOM 941 CE2 PHE A 58 -1.391 7.944 -0.488 1.00 10.00 C ATOM 942 CZ PHE A 58 -0.706 7.346 -1.523 1.00 10.00 C ATOM 0 H PHE A 58 -1.965 10.943 -3.433 1.00 10.00 H new ATOM 0 HA PHE A 58 -2.120 12.984 -1.312 1.00 10.00 H new ATOM 0 HB2 PHE A 58 0.493 11.903 -1.279 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.718 11.839 -0.014 1.00 10.00 H new ATOM 0 HD1 PHE A 58 0.656 10.080 -2.919 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -1.874 9.781 0.482 1.00 10.00 H new ATOM 0 HE1 PHE A 58 0.569 7.657 -3.206 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -1.969 7.342 0.198 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.745 6.274 -1.652 1.00 10.00 H new ATOM 952 N THR A 59 -0.157 14.278 -2.396 1.00 10.00 N ATOM 953 CA THR A 59 0.639 15.174 -3.188 1.00 10.00 C ATOM 954 C THR A 59 1.971 14.539 -3.501 1.00 10.00 C ATOM 955 O THR A 59 2.497 13.773 -2.694 1.00 10.00 O ATOM 956 CB THR A 59 0.857 16.493 -2.442 1.00 10.00 C ATOM 957 OG1 THR A 59 0.956 16.241 -1.032 1.00 10.00 O ATOM 958 CG2 THR A 59 -0.294 17.434 -2.719 1.00 10.00 C ATOM 0 H THR A 59 -0.244 14.546 -1.416 1.00 10.00 H new ATOM 0 HA THR A 59 0.111 15.379 -4.119 1.00 10.00 H new ATOM 0 HB THR A 59 1.783 16.953 -2.788 1.00 10.00 H new ATOM 0 HG1 THR A 59 1.097 17.087 -0.558 1.00 10.00 H new ATOM 0 HG21 THR A 59 -0.134 18.371 -2.186 1.00 10.00 H new ATOM 0 HG22 THR A 59 -0.353 17.631 -3.789 1.00 10.00 H new ATOM 0 HG23 THR A 59 -1.225 16.979 -2.382 1.00 10.00 H new ATOM 966 N PRO A 60 2.511 14.817 -4.692 1.00 10.00 N ATOM 967 CA PRO A 60 3.809 14.305 -5.135 1.00 10.00 C ATOM 968 C PRO A 60 4.865 14.463 -4.058 1.00 10.00 C ATOM 969 O PRO A 60 5.743 13.615 -3.890 1.00 10.00 O ATOM 970 CB PRO A 60 4.143 15.192 -6.346 1.00 10.00 C ATOM 971 CG PRO A 60 3.092 16.256 -6.365 1.00 10.00 C ATOM 972 CD PRO A 60 1.894 15.643 -5.729 1.00 10.00 C ATOM 0 HA PRO A 60 3.781 13.240 -5.368 1.00 10.00 H new ATOM 0 HB2 PRO A 60 5.139 15.626 -6.252 1.00 10.00 H new ATOM 0 HB3 PRO A 60 4.133 14.614 -7.270 1.00 10.00 H new ATOM 0 HG2 PRO A 60 3.418 17.140 -5.817 1.00 10.00 H new ATOM 0 HG3 PRO A 60 2.875 16.575 -7.384 1.00 10.00 H new ATOM 0 HD2 PRO A 60 1.221 16.392 -5.312 1.00 10.00 H new ATOM 0 HD3 PRO A 60 1.312 15.050 -6.435 1.00 10.00 H new ATOM 980 N ASP A 61 4.747 15.552 -3.322 1.00 10.00 N ATOM 981 CA ASP A 61 5.664 15.859 -2.230 1.00 10.00 C ATOM 982 C ASP A 61 5.673 14.733 -1.202 1.00 10.00 C ATOM 983 O ASP A 61 6.723 14.313 -0.725 1.00 10.00 O ATOM 984 CB ASP A 61 5.249 17.146 -1.519 1.00 10.00 C ATOM 985 CG ASP A 61 4.830 18.250 -2.472 1.00 10.00 C ATOM 986 OD1 ASP A 61 3.718 18.165 -3.039 1.00 10.00 O ATOM 987 OD2 ASP A 61 5.610 19.212 -2.652 1.00 10.00 O ATOM 0 H ASP A 61 4.016 16.250 -3.460 1.00 10.00 H new ATOM 0 HA ASP A 61 6.657 15.977 -2.664 1.00 10.00 H new ATOM 0 HB2 ASP A 61 4.424 16.928 -0.841 1.00 10.00 H new ATOM 0 HB3 ASP A 61 6.079 17.499 -0.908 1.00 10.00 H new ATOM 992 N SER A 62 4.483 14.255 -0.872 1.00 10.00 N ATOM 993 CA SER A 62 4.317 13.202 0.116 1.00 10.00 C ATOM 994 C SER A 62 4.273 11.823 -0.521 1.00 10.00 C ATOM 995 O SER A 62 4.119 10.837 0.176 1.00 10.00 O ATOM 996 CB SER A 62 3.020 13.411 0.883 1.00 10.00 C ATOM 997 OG SER A 62 3.177 13.059 2.246 1.00 10.00 O ATOM 0 H SER A 62 3.609 14.585 -1.280 1.00 10.00 H new ATOM 0 HA SER A 62 5.178 13.253 0.783 1.00 10.00 H new ATOM 0 HB2 SER A 62 2.711 14.453 0.806 1.00 10.00 H new ATOM 0 HB3 SER A 62 2.228 12.810 0.437 1.00 10.00 H new ATOM 0 HG SER A 62 2.373 12.593 2.558 1.00 10.00 H new ATOM 1003 N PHE A 63 4.395 11.776 -1.836 1.00 10.00 N ATOM 1004 CA PHE A 63 4.310 10.518 -2.594 1.00 10.00 C ATOM 1005 C PHE A 63 4.932 9.296 -1.898 1.00 10.00 C ATOM 1006 O PHE A 63 4.253 8.280 -1.734 1.00 10.00 O ATOM 1007 CB PHE A 63 4.926 10.641 -3.985 1.00 10.00 C ATOM 1008 CG PHE A 63 3.951 10.913 -5.105 1.00 10.00 C ATOM 1009 CD1 PHE A 63 2.588 10.726 -4.941 1.00 10.00 C ATOM 1010 CD2 PHE A 63 4.413 11.352 -6.335 1.00 10.00 C ATOM 1011 CE1 PHE A 63 1.711 10.973 -5.971 1.00 10.00 C ATOM 1012 CE2 PHE A 63 3.536 11.601 -7.372 1.00 10.00 C ATOM 1013 CZ PHE A 63 2.182 11.411 -7.190 1.00 10.00 C ATOM 0 H PHE A 63 4.555 12.600 -2.416 1.00 10.00 H new ATOM 0 HA PHE A 63 3.236 10.343 -2.664 1.00 10.00 H new ATOM 0 HB2 PHE A 63 5.665 11.442 -3.967 1.00 10.00 H new ATOM 0 HB3 PHE A 63 5.462 9.719 -4.209 1.00 10.00 H new ATOM 0 HD1 PHE A 63 2.209 10.381 -3.990 1.00 10.00 H new ATOM 0 HD2 PHE A 63 5.472 11.501 -6.485 1.00 10.00 H new ATOM 0 HE1 PHE A 63 0.651 10.824 -5.825 1.00 10.00 H new ATOM 0 HE2 PHE A 63 3.910 11.944 -8.325 1.00 10.00 H new ATOM 0 HZ PHE A 63 1.494 11.605 -7.999 1.00 10.00 H new ATOM 1023 N LYS A 64 6.204 9.373 -1.491 1.00 10.00 N ATOM 1024 CA LYS A 64 6.858 8.212 -0.864 1.00 10.00 C ATOM 1025 C LYS A 64 8.269 8.546 -0.371 1.00 10.00 C ATOM 1026 O LYS A 64 8.512 9.625 0.158 1.00 10.00 O ATOM 1027 CB LYS A 64 6.925 7.048 -1.869 1.00 10.00 C ATOM 1028 CG LYS A 64 7.647 7.393 -3.167 1.00 10.00 C ATOM 1029 CD LYS A 64 7.775 6.185 -4.075 1.00 10.00 C ATOM 1030 CE LYS A 64 6.478 5.904 -4.813 1.00 10.00 C ATOM 1031 NZ LYS A 64 6.442 4.526 -5.374 1.00 10.00 N ATOM 0 H LYS A 64 6.791 10.203 -1.579 1.00 10.00 H new ATOM 0 HA LYS A 64 6.262 7.925 0.002 1.00 10.00 H new ATOM 0 HB2 LYS A 64 7.428 6.203 -1.398 1.00 10.00 H new ATOM 0 HB3 LYS A 64 5.911 6.725 -2.104 1.00 10.00 H new ATOM 0 HG2 LYS A 64 7.105 8.183 -3.686 1.00 10.00 H new ATOM 0 HG3 LYS A 64 8.639 7.784 -2.939 1.00 10.00 H new ATOM 0 HD2 LYS A 64 8.576 6.353 -4.795 1.00 10.00 H new ATOM 0 HD3 LYS A 64 8.055 5.313 -3.485 1.00 10.00 H new ATOM 0 HE2 LYS A 64 5.637 6.040 -4.133 1.00 10.00 H new ATOM 0 HE3 LYS A 64 6.356 6.627 -5.620 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 5.540 4.376 -5.869 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 7.229 4.403 -6.043 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 6.532 3.835 -4.602 1.00 10.00 H new ATOM 1045 N ARG A 65 9.198 7.597 -0.561 1.00 10.00 N ATOM 1046 CA ARG A 65 10.597 7.755 -0.154 1.00 10.00 C ATOM 1047 C ARG A 65 11.279 8.890 -0.916 1.00 10.00 C ATOM 1048 O ARG A 65 12.389 9.289 -0.581 1.00 10.00 O ATOM 1049 CB ARG A 65 11.381 6.443 -0.345 1.00 10.00 C ATOM 1050 CG ARG A 65 11.084 5.703 -1.645 1.00 10.00 C ATOM 1051 CD ARG A 65 11.341 4.204 -1.516 1.00 10.00 C ATOM 1052 NE ARG A 65 12.692 3.817 -1.941 1.00 10.00 N ATOM 1053 CZ ARG A 65 13.236 2.609 -1.713 1.00 10.00 C ATOM 1054 NH1 ARG A 65 12.553 1.678 -1.039 1.00 10.00 N ATOM 1055 NH2 ARG A 65 14.461 2.337 -2.161 1.00 10.00 N ATOM 0 H ARG A 65 8.998 6.699 -1.002 1.00 10.00 H new ATOM 0 HA ARG A 65 10.596 8.010 0.906 1.00 10.00 H new ATOM 0 HB2 ARG A 65 12.447 6.665 -0.305 1.00 10.00 H new ATOM 0 HB3 ARG A 65 11.162 5.780 0.492 1.00 10.00 H new ATOM 0 HG2 ARG A 65 10.045 5.870 -1.929 1.00 10.00 H new ATOM 0 HG3 ARG A 65 11.703 6.110 -2.445 1.00 10.00 H new ATOM 0 HD2 ARG A 65 11.192 3.903 -0.479 1.00 10.00 H new ATOM 0 HD3 ARG A 65 10.608 3.662 -2.114 1.00 10.00 H new ATOM 0 HE ARG A 65 13.253 4.508 -2.440 1.00 10.00 H new ATOM 0 HH11 ARG A 65 11.615 1.883 -0.695 1.00 10.00 H new ATOM 0 HH12 ARG A 65 12.970 0.763 -0.869 1.00 10.00 H new ATOM 0 HH21 ARG A 65 14.985 3.045 -2.676 1.00 10.00 H new ATOM 0 HH22 ARG A 65 14.875 1.421 -1.989 1.00 10.00 H new ATOM 1069 N GLU A 66 10.602 9.404 -1.935 1.00 10.00 N ATOM 1070 CA GLU A 66 11.120 10.508 -2.732 1.00 10.00 C ATOM 1071 C GLU A 66 10.769 11.837 -2.058 1.00 10.00 C ATOM 1072 O GLU A 66 10.978 12.910 -2.625 1.00 10.00 O ATOM 1073 CB GLU A 66 10.583 10.450 -4.177 1.00 10.00 C ATOM 1074 CG GLU A 66 10.698 9.070 -4.804 1.00 10.00 C ATOM 1075 CD GLU A 66 10.021 8.977 -6.155 1.00 10.00 C ATOM 1076 OE1 GLU A 66 8.855 9.407 -6.277 1.00 10.00 O ATOM 1077 OE2 GLU A 66 10.644 8.453 -7.101 1.00 10.00 O ATOM 0 H GLU A 66 9.685 9.070 -2.231 1.00 10.00 H new ATOM 0 HA GLU A 66 12.205 10.423 -2.791 1.00 10.00 H new ATOM 0 HB2 GLU A 66 9.537 10.758 -4.182 1.00 10.00 H new ATOM 0 HB3 GLU A 66 11.129 11.167 -4.790 1.00 10.00 H new ATOM 0 HG2 GLU A 66 11.752 8.813 -4.913 1.00 10.00 H new ATOM 0 HG3 GLU A 66 10.258 8.333 -4.132 1.00 10.00 H new ATOM 1084 N SER A 67 10.207 11.742 -0.848 1.00 10.00 N ATOM 1085 CA SER A 67 9.803 12.906 -0.075 1.00 10.00 C ATOM 1086 C SER A 67 11.027 13.678 0.458 1.00 10.00 C ATOM 1087 O SER A 67 11.834 14.190 -0.319 1.00 10.00 O ATOM 1088 CB SER A 67 8.874 12.435 1.061 1.00 10.00 C ATOM 1089 OG SER A 67 8.606 13.444 2.018 1.00 10.00 O ATOM 0 H SER A 67 10.022 10.853 -0.383 1.00 10.00 H new ATOM 0 HA SER A 67 9.261 13.605 -0.712 1.00 10.00 H new ATOM 0 HB2 SER A 67 7.933 12.091 0.633 1.00 10.00 H new ATOM 0 HB3 SER A 67 9.328 11.580 1.562 1.00 10.00 H new ATOM 0 HG SER A 67 8.617 13.054 2.917 1.00 10.00 H new ATOM 1095 N ASN A 68 11.177 13.744 1.772 1.00 10.00 N ATOM 1096 CA ASN A 68 12.288 14.466 2.375 1.00 10.00 C ATOM 1097 C ASN A 68 13.461 13.537 2.685 1.00 10.00 C ATOM 1098 O ASN A 68 14.462 13.541 1.969 1.00 10.00 O ATOM 1099 CB ASN A 68 11.825 15.194 3.644 1.00 10.00 C ATOM 1100 CG ASN A 68 11.317 16.603 3.378 1.00 10.00 C ATOM 1101 OD1 ASN A 68 11.992 17.338 2.503 1.00 10.00 O flip ATOM 1102 ND2 ASN A 68 10.323 17.032 3.966 1.00 10.00 N flip ATOM 0 H ASN A 68 10.544 13.307 2.442 1.00 10.00 H new ATOM 0 HA ASN A 68 12.637 15.204 1.653 1.00 10.00 H new ATOM 0 HB2 ASN A 68 11.034 14.614 4.119 1.00 10.00 H new ATOM 0 HB3 ASN A 68 12.654 15.241 4.350 1.00 10.00 H new ATOM 0 HD21 ASN A 68 9.829 16.438 4.632 1.00 10.00 H new ATOM 0 HD22 ASN A 68 9.994 17.981 3.787 1.00 10.00 H new ATOM 1109 N ASN A 69 13.335 12.728 3.736 1.00 10.00 N ATOM 1110 CA ASN A 69 14.417 11.822 4.117 1.00 10.00 C ATOM 1111 C ASN A 69 14.287 10.463 3.443 1.00 10.00 C ATOM 1112 O ASN A 69 15.065 10.132 2.550 1.00 10.00 O ATOM 1113 CB ASN A 69 14.474 11.627 5.637 1.00 10.00 C ATOM 1114 CG ASN A 69 15.554 10.636 6.046 1.00 10.00 C ATOM 1115 OD1 ASN A 69 16.667 10.660 5.520 1.00 10.00 O ATOM 1116 ND2 ASN A 69 15.231 9.760 6.984 1.00 10.00 N ATOM 0 H ASN A 69 12.508 12.681 4.331 1.00 10.00 H new ATOM 0 HA ASN A 69 15.341 12.291 3.780 1.00 10.00 H new ATOM 0 HB2 ASN A 69 14.662 12.587 6.119 1.00 10.00 H new ATOM 0 HB3 ASN A 69 13.506 11.275 5.994 1.00 10.00 H new ATOM 0 HD21 ASN A 69 15.916 9.071 7.296 1.00 10.00 H new ATOM 0 HD22 ASN A 69 14.297 9.774 7.395 1.00 10.00 H new ATOM 1123 N LYS A 70 13.304 9.675 3.860 1.00 10.00 N ATOM 1124 CA LYS A 70 13.131 8.345 3.293 1.00 10.00 C ATOM 1125 C LYS A 70 11.660 7.948 3.200 1.00 10.00 C ATOM 1126 O LYS A 70 11.341 6.869 2.710 1.00 10.00 O ATOM 1127 CB LYS A 70 13.905 7.327 4.137 1.00 10.00 C ATOM 1128 CG LYS A 70 14.259 6.043 3.395 1.00 10.00 C ATOM 1129 CD LYS A 70 15.311 6.273 2.314 1.00 10.00 C ATOM 1130 CE LYS A 70 16.619 6.803 2.890 1.00 10.00 C ATOM 1131 NZ LYS A 70 17.770 6.576 1.973 1.00 10.00 N ATOM 0 H LYS A 70 12.625 9.929 4.577 1.00 10.00 H new ATOM 0 HA LYS A 70 13.524 8.358 2.276 1.00 10.00 H new ATOM 0 HB2 LYS A 70 14.824 7.792 4.495 1.00 10.00 H new ATOM 0 HB3 LYS A 70 13.312 7.074 5.016 1.00 10.00 H new ATOM 0 HG2 LYS A 70 14.627 5.304 4.107 1.00 10.00 H new ATOM 0 HG3 LYS A 70 13.359 5.628 2.941 1.00 10.00 H new ATOM 0 HD2 LYS A 70 15.500 5.337 1.788 1.00 10.00 H new ATOM 0 HD3 LYS A 70 14.926 6.980 1.579 1.00 10.00 H new ATOM 0 HE2 LYS A 70 16.520 7.870 3.089 1.00 10.00 H new ATOM 0 HE3 LYS A 70 16.817 6.317 3.846 1.00 10.00 H new ATOM 0 HZ1 LYS A 70 18.638 6.952 2.405 1.00 10.00 H new ATOM 0 HZ2 LYS A 70 17.882 5.556 1.802 1.00 10.00 H new ATOM 0 HZ3 LYS A 70 17.595 7.061 1.070 1.00 10.00 H new ATOM 1145 N LEU A 71 10.764 8.815 3.653 1.00 10.00 N ATOM 1146 CA LEU A 71 9.340 8.507 3.604 1.00 10.00 C ATOM 1147 C LEU A 71 8.508 9.777 3.487 1.00 10.00 C ATOM 1148 O LEU A 71 9.057 10.882 3.498 1.00 10.00 O ATOM 1149 CB LEU A 71 8.912 7.711 4.839 1.00 10.00 C ATOM 1150 CG LEU A 71 8.225 6.365 4.562 1.00 10.00 C ATOM 1151 CD1 LEU A 71 6.933 6.270 5.353 1.00 10.00 C ATOM 1152 CD2 LEU A 71 7.952 6.165 3.073 1.00 10.00 C ATOM 0 H LEU A 71 10.993 9.725 4.053 1.00 10.00 H new ATOM 0 HA LEU A 71 9.165 7.897 2.717 1.00 10.00 H new ATOM 0 HB2 LEU A 71 9.794 7.528 5.453 1.00 10.00 H new ATOM 0 HB3 LEU A 71 8.235 8.328 5.429 1.00 10.00 H new ATOM 0 HG LEU A 71 8.902 5.572 4.880 1.00 10.00 H new ATOM 0 HD11 LEU A 71 6.452 5.313 5.151 1.00 10.00 H new ATOM 0 HD12 LEU A 71 7.152 6.349 6.418 1.00 10.00 H new ATOM 0 HD13 LEU A 71 6.266 7.080 5.059 1.00 10.00 H new ATOM 0 HD21 LEU A 71 7.466 5.202 2.918 1.00 10.00 H new ATOM 0 HD22 LEU A 71 7.302 6.962 2.712 1.00 10.00 H new ATOM 0 HD23 LEU A 71 8.893 6.188 2.524 1.00 10.00 H new ATOM 1164 N LEU A 72 7.186 9.609 3.393 1.00 10.00 N ATOM 1165 CA LEU A 72 6.262 10.737 3.252 1.00 10.00 C ATOM 1166 C LEU A 72 6.370 11.693 4.425 1.00 10.00 C ATOM 1167 O LEU A 72 6.890 11.341 5.486 1.00 10.00 O ATOM 1168 CB LEU A 72 4.800 10.278 3.173 1.00 10.00 C ATOM 1169 CG LEU A 72 4.558 8.792 2.890 1.00 10.00 C ATOM 1170 CD1 LEU A 72 4.204 8.059 4.167 1.00 10.00 C ATOM 1171 CD2 LEU A 72 3.438 8.617 1.882 1.00 10.00 C ATOM 0 H LEU A 72 6.730 8.697 3.412 1.00 10.00 H new ATOM 0 HA LEU A 72 6.546 11.235 2.325 1.00 10.00 H new ATOM 0 HB2 LEU A 72 4.314 10.528 4.116 1.00 10.00 H new ATOM 0 HB3 LEU A 72 4.303 10.858 2.395 1.00 10.00 H new ATOM 0 HG LEU A 72 5.477 8.374 2.480 1.00 10.00 H new ATOM 0 HD11 LEU A 72 4.036 7.005 3.947 1.00 10.00 H new ATOM 0 HD12 LEU A 72 5.023 8.154 4.880 1.00 10.00 H new ATOM 0 HD13 LEU A 72 3.298 8.489 4.595 1.00 10.00 H new ATOM 0 HD21 LEU A 72 3.281 7.555 1.694 1.00 10.00 H new ATOM 0 HD22 LEU A 72 2.521 9.055 2.277 1.00 10.00 H new ATOM 0 HD23 LEU A 72 3.706 9.115 0.950 1.00 10.00 H new ATOM 1183 N LYS A 73 5.865 12.900 4.233 1.00 10.00 N ATOM 1184 CA LYS A 73 5.872 13.880 5.291 1.00 10.00 C ATOM 1185 C LYS A 73 4.851 13.459 6.332 1.00 10.00 C ATOM 1186 O LYS A 73 3.674 13.283 6.026 1.00 10.00 O ATOM 1187 CB LYS A 73 5.581 15.304 4.791 1.00 10.00 C ATOM 1188 CG LYS A 73 5.067 15.407 3.357 1.00 10.00 C ATOM 1189 CD LYS A 73 6.172 15.256 2.313 1.00 10.00 C ATOM 1190 CE LYS A 73 7.314 16.244 2.503 1.00 10.00 C ATOM 1191 NZ LYS A 73 6.860 17.660 2.407 1.00 10.00 N ATOM 0 H LYS A 73 5.449 13.218 3.358 1.00 10.00 H new ATOM 0 HA LYS A 73 6.873 13.915 5.722 1.00 10.00 H new ATOM 0 HB2 LYS A 73 4.847 15.760 5.455 1.00 10.00 H new ATOM 0 HB3 LYS A 73 6.495 15.893 4.874 1.00 10.00 H new ATOM 0 HG2 LYS A 73 4.312 14.639 3.192 1.00 10.00 H new ATOM 0 HG3 LYS A 73 4.576 16.371 3.221 1.00 10.00 H new ATOM 0 HD2 LYS A 73 6.567 14.241 2.356 1.00 10.00 H new ATOM 0 HD3 LYS A 73 5.745 15.390 1.319 1.00 10.00 H new ATOM 0 HE2 LYS A 73 7.776 16.078 3.476 1.00 10.00 H new ATOM 0 HE3 LYS A 73 8.080 16.059 1.750 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 7.672 18.295 2.543 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 6.442 17.828 1.469 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 6.148 17.847 3.142 1.00 10.00 H new ATOM 1205 N GLU A 74 5.334 13.264 7.543 1.00 10.00 N ATOM 1206 CA GLU A 74 4.518 12.837 8.676 1.00 10.00 C ATOM 1207 C GLU A 74 3.302 13.730 8.897 1.00 10.00 C ATOM 1208 O GLU A 74 2.360 13.353 9.584 1.00 10.00 O ATOM 1209 CB GLU A 74 5.359 12.827 9.944 1.00 10.00 C ATOM 1210 CG GLU A 74 5.729 14.211 10.445 1.00 10.00 C ATOM 1211 CD GLU A 74 7.117 14.644 10.015 1.00 10.00 C ATOM 1212 OE1 GLU A 74 7.474 14.453 8.834 1.00 10.00 O ATOM 1213 OE2 GLU A 74 7.861 15.177 10.866 1.00 10.00 O ATOM 0 H GLU A 74 6.318 13.398 7.777 1.00 10.00 H new ATOM 0 HA GLU A 74 4.157 11.835 8.443 1.00 10.00 H new ATOM 0 HB2 GLU A 74 4.812 12.302 10.727 1.00 10.00 H new ATOM 0 HB3 GLU A 74 6.272 12.262 9.759 1.00 10.00 H new ATOM 0 HG2 GLU A 74 4.999 14.932 10.077 1.00 10.00 H new ATOM 0 HG3 GLU A 74 5.671 14.225 11.533 1.00 10.00 H new ATOM 1220 N ASN A 75 3.349 14.923 8.351 1.00 10.00 N ATOM 1221 CA ASN A 75 2.252 15.869 8.495 1.00 10.00 C ATOM 1222 C ASN A 75 1.379 15.940 7.245 1.00 10.00 C ATOM 1223 O ASN A 75 0.575 16.857 7.092 1.00 10.00 O ATOM 1224 CB ASN A 75 2.800 17.249 8.817 1.00 10.00 C ATOM 1225 CG ASN A 75 2.854 17.522 10.308 1.00 10.00 C ATOM 1226 OD1 ASN A 75 2.919 16.464 11.104 1.00 10.00 O flip ATOM 1227 ND2 ASN A 75 2.842 18.674 10.743 1.00 10.00 N flip ATOM 0 H ASN A 75 4.135 15.268 7.800 1.00 10.00 H new ATOM 0 HA ASN A 75 1.624 15.516 9.313 1.00 10.00 H new ATOM 0 HB2 ASN A 75 3.801 17.345 8.397 1.00 10.00 H new ATOM 0 HB3 ASN A 75 2.179 18.004 8.335 1.00 10.00 H new ATOM 0 HD21 ASN A 75 2.791 19.462 10.098 1.00 10.00 H new ATOM 0 HD22 ASN A 75 2.883 18.840 11.749 1.00 10.00 H new ATOM 1234 N ALA A 76 1.548 14.985 6.352 1.00 10.00 N ATOM 1235 CA ALA A 76 0.759 14.938 5.121 1.00 10.00 C ATOM 1236 C ALA A 76 -0.062 13.658 5.029 1.00 10.00 C ATOM 1237 O ALA A 76 0.468 12.551 5.130 1.00 10.00 O ATOM 1238 CB ALA A 76 1.660 15.081 3.900 1.00 10.00 C ATOM 0 H ALA A 76 2.224 14.227 6.449 1.00 10.00 H new ATOM 0 HA ALA A 76 0.064 15.777 5.145 1.00 10.00 H new ATOM 0 HB1 ALA A 76 1.054 15.044 2.995 1.00 10.00 H new ATOM 0 HB2 ALA A 76 2.186 16.035 3.946 1.00 10.00 H new ATOM 0 HB3 ALA A 76 2.385 14.267 3.885 1.00 10.00 H new ATOM 1244 N VAL A 77 -1.359 13.823 4.815 1.00 10.00 N ATOM 1245 CA VAL A 77 -2.270 12.695 4.708 1.00 10.00 C ATOM 1246 C VAL A 77 -3.175 12.864 3.480 1.00 10.00 C ATOM 1247 O VAL A 77 -3.628 13.969 3.181 1.00 10.00 O ATOM 1248 CB VAL A 77 -3.108 12.525 6.013 1.00 10.00 C ATOM 1249 CG1 VAL A 77 -3.514 13.865 6.599 1.00 10.00 C ATOM 1250 CG2 VAL A 77 -4.342 11.662 5.789 1.00 10.00 C ATOM 0 H VAL A 77 -1.806 14.734 4.712 1.00 10.00 H new ATOM 0 HA VAL A 77 -1.684 11.785 4.579 1.00 10.00 H new ATOM 0 HB VAL A 77 -2.461 12.017 6.728 1.00 10.00 H new ATOM 0 HG11 VAL A 77 -4.096 13.704 7.507 1.00 10.00 H new ATOM 0 HG12 VAL A 77 -2.621 14.443 6.838 1.00 10.00 H new ATOM 0 HG13 VAL A 77 -4.117 14.412 5.874 1.00 10.00 H new ATOM 0 HG21 VAL A 77 -4.896 11.570 6.723 1.00 10.00 H new ATOM 0 HG22 VAL A 77 -4.978 12.125 5.034 1.00 10.00 H new ATOM 0 HG23 VAL A 77 -4.037 10.672 5.449 1.00 10.00 H new ATOM 1260 N PRO A 78 -3.398 11.767 2.731 1.00 10.00 N ATOM 1261 CA PRO A 78 -4.229 11.746 1.514 1.00 10.00 C ATOM 1262 C PRO A 78 -5.627 12.334 1.710 1.00 10.00 C ATOM 1263 O PRO A 78 -6.500 11.715 2.316 1.00 10.00 O ATOM 1264 CB PRO A 78 -4.340 10.249 1.178 1.00 10.00 C ATOM 1265 CG PRO A 78 -3.862 9.534 2.388 1.00 10.00 C ATOM 1266 CD PRO A 78 -2.850 10.439 3.011 1.00 10.00 C ATOM 0 HA PRO A 78 -3.779 12.357 0.731 1.00 10.00 H new ATOM 0 HB2 PRO A 78 -5.368 9.975 0.941 1.00 10.00 H new ATOM 0 HB3 PRO A 78 -3.734 9.996 0.308 1.00 10.00 H new ATOM 0 HG2 PRO A 78 -4.684 9.332 3.075 1.00 10.00 H new ATOM 0 HG3 PRO A 78 -3.421 8.572 2.127 1.00 10.00 H new ATOM 0 HD2 PRO A 78 -2.749 10.259 4.081 1.00 10.00 H new ATOM 0 HD3 PRO A 78 -1.862 10.307 2.571 1.00 10.00 H new ATOM 1274 N THR A 79 -5.828 13.532 1.183 1.00 10.00 N ATOM 1275 CA THR A 79 -7.112 14.207 1.273 1.00 10.00 C ATOM 1276 C THR A 79 -7.799 14.206 -0.092 1.00 10.00 C ATOM 1277 O THR A 79 -9.004 14.435 -0.206 1.00 10.00 O ATOM 1278 CB THR A 79 -6.944 15.654 1.791 1.00 10.00 C ATOM 1279 OG1 THR A 79 -8.203 16.167 2.246 1.00 10.00 O ATOM 1280 CG2 THR A 79 -6.372 16.572 0.716 1.00 10.00 C ATOM 0 H THR A 79 -5.111 14.060 0.685 1.00 10.00 H new ATOM 0 HA THR A 79 -7.735 13.666 1.985 1.00 10.00 H new ATOM 0 HB THR A 79 -6.240 15.626 2.623 1.00 10.00 H new ATOM 0 HG1 THR A 79 -8.084 17.083 2.573 1.00 10.00 H new ATOM 0 HG21 THR A 79 -6.268 17.580 1.116 1.00 10.00 H new ATOM 0 HG22 THR A 79 -5.395 16.203 0.404 1.00 10.00 H new ATOM 0 HG23 THR A 79 -7.044 16.590 -0.142 1.00 10.00 H new ATOM 1288 N ILE A 80 -7.014 13.900 -1.120 1.00 10.00 N ATOM 1289 CA ILE A 80 -7.490 13.869 -2.505 1.00 10.00 C ATOM 1290 C ILE A 80 -8.398 12.658 -2.768 1.00 10.00 C ATOM 1291 O ILE A 80 -8.775 12.400 -3.910 1.00 10.00 O ATOM 1292 CB ILE A 80 -6.310 13.836 -3.509 1.00 10.00 C ATOM 1293 CG1 ILE A 80 -5.076 14.572 -2.945 1.00 10.00 C ATOM 1294 CG2 ILE A 80 -6.737 14.428 -4.848 1.00 10.00 C ATOM 1295 CD1 ILE A 80 -4.849 15.963 -3.506 1.00 10.00 C ATOM 0 H ILE A 80 -6.026 13.665 -1.019 1.00 10.00 H new ATOM 0 HA ILE A 80 -8.065 14.784 -2.652 1.00 10.00 H new ATOM 0 HB ILE A 80 -6.026 12.796 -3.668 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -5.178 14.645 -1.862 1.00 10.00 H new ATOM 0 HG13 ILE A 80 -4.190 13.968 -3.141 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -5.898 14.398 -5.543 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -7.566 13.848 -5.254 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -7.053 15.461 -4.705 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -3.960 16.399 -3.050 1.00 10.00 H new ATOM 0 HD12 ILE A 80 -4.710 15.902 -4.585 1.00 10.00 H new ATOM 0 HD13 ILE A 80 -5.714 16.589 -3.287 1.00 10.00 H new ATOM 1307 N PHE A 81 -8.712 11.909 -1.708 1.00 10.00 N ATOM 1308 CA PHE A 81 -9.560 10.717 -1.800 1.00 10.00 C ATOM 1309 C PHE A 81 -10.768 10.919 -2.709 1.00 10.00 C ATOM 1310 O PHE A 81 -10.885 10.256 -3.739 1.00 10.00 O ATOM 1311 CB PHE A 81 -10.041 10.284 -0.410 1.00 10.00 C ATOM 1312 CG PHE A 81 -9.048 9.450 0.359 1.00 10.00 C ATOM 1313 CD1 PHE A 81 -7.804 9.146 -0.175 1.00 10.00 C ATOM 1314 CD2 PHE A 81 -9.367 8.953 1.610 1.00 10.00 C ATOM 1315 CE1 PHE A 81 -6.904 8.370 0.523 1.00 10.00 C ATOM 1316 CE2 PHE A 81 -8.467 8.174 2.314 1.00 10.00 C ATOM 1317 CZ PHE A 81 -7.233 7.882 1.768 1.00 10.00 C ATOM 0 H PHE A 81 -8.386 12.111 -0.763 1.00 10.00 H new ATOM 0 HA PHE A 81 -8.939 9.936 -2.240 1.00 10.00 H new ATOM 0 HB2 PHE A 81 -10.279 11.174 0.173 1.00 10.00 H new ATOM 0 HB3 PHE A 81 -10.966 9.718 -0.519 1.00 10.00 H new ATOM 0 HD1 PHE A 81 -7.537 9.523 -1.151 1.00 10.00 H new ATOM 0 HD2 PHE A 81 -10.331 9.176 2.042 1.00 10.00 H new ATOM 0 HE1 PHE A 81 -5.939 8.144 0.093 1.00 10.00 H new ATOM 0 HE2 PHE A 81 -8.729 7.794 3.290 1.00 10.00 H new ATOM 0 HZ PHE A 81 -6.528 7.273 2.315 1.00 10.00 H new ATOM 1327 N LEU A 82 -11.653 11.837 -2.339 1.00 10.00 N ATOM 1328 CA LEU A 82 -12.852 12.097 -3.123 1.00 10.00 C ATOM 1329 C LEU A 82 -13.451 13.434 -2.722 1.00 10.00 C ATOM 1330 O LEU A 82 -13.168 13.948 -1.639 1.00 10.00 O ATOM 1331 CB LEU A 82 -13.881 10.984 -2.891 1.00 10.00 C ATOM 1332 CG LEU A 82 -14.423 10.249 -4.136 1.00 10.00 C ATOM 1333 CD1 LEU A 82 -15.841 10.702 -4.454 1.00 10.00 C ATOM 1334 CD2 LEU A 82 -13.523 10.448 -5.350 1.00 10.00 C ATOM 0 H LEU A 82 -11.562 12.413 -1.502 1.00 10.00 H new ATOM 0 HA LEU A 82 -12.584 12.124 -4.179 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -13.432 10.242 -2.230 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -14.729 11.414 -2.358 1.00 10.00 H new ATOM 0 HG LEU A 82 -14.435 9.185 -3.902 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -16.204 10.172 -5.335 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -16.491 10.485 -3.606 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -15.845 11.774 -4.649 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -13.941 9.914 -6.204 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -13.456 11.511 -5.583 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -12.527 10.061 -5.132 1.00 10.00 H new