USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 839 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 Single : A 4 LYS NZ :NH3+ -136:sc= -1.09 (180deg=-3.42!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -64:sc= 0.0146 USER MOD Single : A 14 THR OG1 : rot 52:sc= 0.24 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0306 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 153:sc= 0.726 (180deg=0.236) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 144:sc= -0.083 (180deg=-0.38) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000749) USER MOD Single : A 45 LYS NZ :NH3+ -123:sc= 0.449 (180deg=0.333) USER MOD Single : A 47 GLN : amide:sc= -0.16 X(o=-0.16,f=-0.023) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -111:sc= 0.319 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN :FLIP amide:sc= -0.0683 F(o=-0.59,f=-0.068) USER MOD Single : A 58 LYS NZ :NH3+ 168:sc= 0.55 (180deg=0.221) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 135:sc= 0.0234 (180deg=-0.0704) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 154:sc= -2.58! (180deg=-4.41!) USER MOD Single : A 74 LYS NZ :NH3+ -137:sc= 0.949 (180deg=0.0892) USER MOD Single : A 78 GLN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 66:sc= 0.364 USER MOD Single : A 89 GLN :FLIP amide:sc= -0.112 F(o=-0.79,f=-0.11) USER MOD Single : A 91 LYS NZ :NH3+ 169:sc= -0.994 (180deg=-1.58) USER MOD Single : A 92 GLN : amide:sc= -0.254 K(o=-0.25,f=-7.8!) USER MOD Single : A 98 LYS NZ :NH3+ 149:sc= 1.04 (180deg=0.435) USER MOD ----------------------------------------------------------------- ATOM 38 N LYS A 4 1.110 9.967 -9.469 1.00 61.11 N ATOM 39 CA LYS A 4 1.681 9.304 -8.285 1.00 2.42 C ATOM 40 C LYS A 4 0.713 8.241 -7.757 1.00 34.42 C ATOM 41 O LYS A 4 -0.506 8.427 -7.801 1.00 44.24 O ATOM 42 CB LYS A 4 2.013 10.360 -7.194 1.00 63.53 C ATOM 43 CG LYS A 4 2.533 9.831 -5.833 1.00 4.12 C ATOM 44 CD LYS A 4 3.088 10.952 -4.905 1.00 60.43 C ATOM 45 CE LYS A 4 2.039 12.004 -4.465 1.00 50.13 C ATOM 46 NZ LYS A 4 1.551 12.878 -5.576 1.00 61.32 N ATOM 0 HA LYS A 4 2.608 8.803 -8.564 1.00 2.42 H new ATOM 0 HB2 LYS A 4 2.761 11.042 -7.600 1.00 63.53 H new ATOM 0 HB3 LYS A 4 1.114 10.947 -7.007 1.00 63.53 H new ATOM 0 HG2 LYS A 4 1.723 9.312 -5.320 1.00 4.12 H new ATOM 0 HG3 LYS A 4 3.318 9.097 -6.013 1.00 4.12 H new ATOM 0 HD2 LYS A 4 3.515 10.490 -4.015 1.00 60.43 H new ATOM 0 HD3 LYS A 4 3.901 11.463 -5.421 1.00 60.43 H new ATOM 0 HE2 LYS A 4 1.187 11.489 -4.021 1.00 50.13 H new ATOM 0 HE3 LYS A 4 2.473 12.632 -3.687 1.00 50.13 H new ATOM 0 HZ1 LYS A 4 1.517 13.866 -5.252 1.00 61.32 H new ATOM 0 HZ2 LYS A 4 2.197 12.802 -6.387 1.00 61.32 H new ATOM 0 HZ3 LYS A 4 0.598 12.575 -5.863 1.00 61.32 H new ATOM 60 N ILE A 5 1.272 7.106 -7.326 1.00 64.12 N ATOM 61 CA ILE A 5 0.566 6.096 -6.528 1.00 41.24 C ATOM 62 C ILE A 5 1.339 5.900 -5.220 1.00 3.12 C ATOM 63 O ILE A 5 2.565 6.098 -5.169 1.00 31.02 O ATOM 64 CB ILE A 5 0.420 4.709 -7.271 1.00 54.34 C ATOM 65 CG1 ILE A 5 1.818 4.064 -7.557 1.00 50.54 C ATOM 66 CG2 ILE A 5 -0.414 4.862 -8.568 1.00 10.41 C ATOM 67 CD1 ILE A 5 1.772 2.652 -8.122 1.00 3.20 C ATOM 0 H ILE A 5 2.242 6.858 -7.524 1.00 64.12 H new ATOM 0 HA ILE A 5 -0.447 6.456 -6.347 1.00 41.24 H new ATOM 0 HB ILE A 5 -0.118 4.030 -6.610 1.00 54.34 H new ATOM 0 HG12 ILE A 5 2.359 4.701 -8.256 1.00 50.54 H new ATOM 0 HG13 ILE A 5 2.391 4.050 -6.630 1.00 50.54 H new ATOM 0 HG21 ILE A 5 -0.500 3.894 -9.061 1.00 10.41 H new ATOM 0 HG22 ILE A 5 -1.408 5.233 -8.320 1.00 10.41 H new ATOM 0 HG23 ILE A 5 0.079 5.567 -9.237 1.00 10.41 H new ATOM 0 HD11 ILE A 5 2.788 2.292 -8.286 1.00 3.20 H new ATOM 0 HD12 ILE A 5 1.264 1.994 -7.417 1.00 3.20 H new ATOM 0 HD13 ILE A 5 1.231 2.656 -9.068 1.00 3.20 H new ATOM 79 N ILE A 6 0.630 5.524 -4.165 1.00 70.31 N ATOM 80 CA ILE A 6 1.240 5.229 -2.869 1.00 2.43 C ATOM 81 C ILE A 6 0.999 3.758 -2.554 1.00 15.33 C ATOM 82 O ILE A 6 -0.147 3.297 -2.538 1.00 52.11 O ATOM 83 CB ILE A 6 0.667 6.130 -1.726 1.00 62.42 C ATOM 84 CG1 ILE A 6 0.869 7.650 -2.034 1.00 73.25 C ATOM 85 CG2 ILE A 6 1.299 5.762 -0.368 1.00 52.02 C ATOM 86 CD1 ILE A 6 2.309 8.117 -2.165 1.00 34.22 C ATOM 0 H ILE A 6 -0.384 5.414 -4.180 1.00 70.31 H new ATOM 0 HA ILE A 6 2.307 5.442 -2.927 1.00 2.43 H new ATOM 0 HB ILE A 6 -0.406 5.944 -1.670 1.00 62.42 H new ATOM 0 HG12 ILE A 6 0.346 7.885 -2.961 1.00 73.25 H new ATOM 0 HG13 ILE A 6 0.391 8.227 -1.243 1.00 73.25 H new ATOM 0 HG21 ILE A 6 0.885 6.402 0.411 1.00 52.02 H new ATOM 0 HG22 ILE A 6 1.081 4.720 -0.136 1.00 52.02 H new ATOM 0 HG23 ILE A 6 2.379 5.904 -0.419 1.00 52.02 H new ATOM 0 HD11 ILE A 6 2.327 9.186 -2.378 1.00 34.22 H new ATOM 0 HD12 ILE A 6 2.840 7.924 -1.233 1.00 34.22 H new ATOM 0 HD13 ILE A 6 2.794 7.577 -2.978 1.00 34.22 H new ATOM 98 N VAL A 7 2.093 3.032 -2.315 1.00 73.42 N ATOM 99 CA VAL A 7 2.054 1.613 -1.976 1.00 61.13 C ATOM 100 C VAL A 7 2.239 1.480 -0.463 1.00 1.42 C ATOM 101 O VAL A 7 3.305 1.805 0.076 1.00 74.41 O ATOM 102 CB VAL A 7 3.136 0.786 -2.751 1.00 32.14 C ATOM 103 CG1 VAL A 7 3.042 -0.708 -2.383 1.00 25.54 C ATOM 104 CG2 VAL A 7 3.006 0.986 -4.283 1.00 44.11 C ATOM 0 H VAL A 7 3.037 3.418 -2.352 1.00 73.42 H new ATOM 0 HA VAL A 7 1.090 1.202 -2.277 1.00 61.13 H new ATOM 0 HB VAL A 7 4.118 1.153 -2.452 1.00 32.14 H new ATOM 0 HG11 VAL A 7 3.801 -1.266 -2.931 1.00 25.54 H new ATOM 0 HG12 VAL A 7 3.204 -0.830 -1.312 1.00 25.54 H new ATOM 0 HG13 VAL A 7 2.054 -1.086 -2.645 1.00 25.54 H new ATOM 0 HG21 VAL A 7 3.770 0.399 -4.793 1.00 44.11 H new ATOM 0 HG22 VAL A 7 2.019 0.659 -4.610 1.00 44.11 H new ATOM 0 HG23 VAL A 7 3.137 2.041 -4.525 1.00 44.11 H new ATOM 114 N ILE A 8 1.181 1.019 0.213 1.00 41.05 N ATOM 115 CA ILE A 8 1.134 0.920 1.670 1.00 72.44 C ATOM 116 C ILE A 8 1.194 -0.553 2.065 1.00 54.54 C ATOM 117 O ILE A 8 0.359 -1.352 1.655 1.00 32.51 O ATOM 118 CB ILE A 8 -0.144 1.619 2.264 1.00 2.43 C ATOM 119 CG1 ILE A 8 -0.152 3.137 1.891 1.00 53.01 C ATOM 120 CG2 ILE A 8 -0.240 1.412 3.794 1.00 44.40 C ATOM 121 CD1 ILE A 8 -1.328 3.932 2.431 1.00 50.45 C ATOM 0 H ILE A 8 0.326 0.702 -0.244 1.00 41.05 H new ATOM 0 HA ILE A 8 1.993 1.445 2.088 1.00 72.44 H new ATOM 0 HB ILE A 8 -1.026 1.154 1.823 1.00 2.43 H new ATOM 0 HG12 ILE A 8 0.770 3.589 2.257 1.00 53.01 H new ATOM 0 HG13 ILE A 8 -0.142 3.227 0.805 1.00 53.01 H new ATOM 0 HG21 ILE A 8 -1.134 1.907 4.173 1.00 44.40 H new ATOM 0 HG22 ILE A 8 -0.295 0.346 4.014 1.00 44.40 H new ATOM 0 HG23 ILE A 8 0.641 1.837 4.275 1.00 44.40 H new ATOM 0 HD11 ILE A 8 -1.239 4.972 2.116 1.00 50.45 H new ATOM 0 HD12 ILE A 8 -2.258 3.514 2.045 1.00 50.45 H new ATOM 0 HD13 ILE A 8 -1.332 3.881 3.520 1.00 50.45 H new ATOM 133 N ILE A 9 2.178 -0.881 2.885 1.00 32.31 N ATOM 134 CA ILE A 9 2.476 -2.252 3.284 1.00 13.41 C ATOM 135 C ILE A 9 1.833 -2.468 4.662 1.00 34.43 C ATOM 136 O ILE A 9 2.414 -2.116 5.694 1.00 41.12 O ATOM 137 CB ILE A 9 4.023 -2.582 3.319 1.00 71.45 C ATOM 138 CG1 ILE A 9 4.713 -2.422 1.907 1.00 14.04 C ATOM 139 CG2 ILE A 9 4.242 -4.022 3.854 1.00 14.41 C ATOM 140 CD1 ILE A 9 4.886 -1.004 1.374 1.00 51.03 C ATOM 0 H ILE A 9 2.805 -0.192 3.301 1.00 32.31 H new ATOM 0 HA ILE A 9 2.066 -2.934 2.539 1.00 13.41 H new ATOM 0 HB ILE A 9 4.491 -1.859 3.987 1.00 71.45 H new ATOM 0 HG12 ILE A 9 5.698 -2.887 1.957 1.00 14.04 H new ATOM 0 HG13 ILE A 9 4.130 -2.988 1.180 1.00 14.04 H new ATOM 0 HG21 ILE A 9 5.309 -4.244 3.876 1.00 14.41 H new ATOM 0 HG22 ILE A 9 3.834 -4.102 4.862 1.00 14.41 H new ATOM 0 HG23 ILE A 9 3.737 -4.734 3.201 1.00 14.41 H new ATOM 0 HD11 ILE A 9 5.372 -1.039 0.399 1.00 51.03 H new ATOM 0 HD12 ILE A 9 3.909 -0.530 1.276 1.00 51.03 H new ATOM 0 HD13 ILE A 9 5.501 -0.428 2.065 1.00 51.03 H new ATOM 152 N SER A 10 0.613 -3.028 4.658 1.00 14.10 N ATOM 153 CA SER A 10 -0.219 -3.126 5.856 1.00 54.51 C ATOM 154 C SER A 10 0.111 -4.430 6.609 1.00 21.45 C ATOM 155 O SER A 10 -0.230 -5.531 6.154 1.00 33.35 O ATOM 156 CB SER A 10 -1.711 -3.051 5.460 1.00 14.35 C ATOM 157 OG SER A 10 -1.990 -1.853 4.744 1.00 43.51 O ATOM 0 H SER A 10 0.181 -3.423 3.823 1.00 14.10 H new ATOM 0 HA SER A 10 -0.011 -2.292 6.526 1.00 54.51 H new ATOM 0 HB2 SER A 10 -1.972 -3.914 4.847 1.00 14.35 H new ATOM 0 HB3 SER A 10 -2.331 -3.096 6.355 1.00 14.35 H new ATOM 0 HG SER A 10 -2.940 -1.830 4.503 1.00 43.51 H new ATOM 163 N SER A 11 0.842 -4.283 7.726 1.00 72.13 N ATOM 164 CA SER A 11 1.207 -5.390 8.612 1.00 21.45 C ATOM 165 C SER A 11 0.469 -5.237 9.947 1.00 75.41 C ATOM 166 O SER A 11 0.881 -4.422 10.782 1.00 52.34 O ATOM 167 CB SER A 11 2.736 -5.406 8.843 1.00 71.35 C ATOM 168 OG SER A 11 3.143 -6.514 9.631 1.00 75.32 O ATOM 0 H SER A 11 1.198 -3.380 8.039 1.00 72.13 H new ATOM 0 HA SER A 11 0.919 -6.334 8.149 1.00 21.45 H new ATOM 0 HB2 SER A 11 3.248 -5.438 7.881 1.00 71.35 H new ATOM 0 HB3 SER A 11 3.038 -4.481 9.334 1.00 71.35 H new ATOM 0 HG SER A 11 2.756 -6.437 10.528 1.00 75.32 H new ATOM 174 N ASP A 12 -0.635 -6.000 10.097 1.00 32.14 N ATOM 175 CA ASP A 12 -1.430 -6.137 11.348 1.00 31.14 C ATOM 176 C ASP A 12 -2.283 -4.882 11.653 1.00 61.32 C ATOM 177 O ASP A 12 -3.514 -4.969 11.743 1.00 51.23 O ATOM 178 CB ASP A 12 -0.557 -6.507 12.586 1.00 33.22 C ATOM 179 CG ASP A 12 0.292 -7.773 12.369 1.00 24.43 C ATOM 180 OD1 ASP A 12 -0.231 -8.897 12.554 1.00 34.24 O ATOM 181 OD2 ASP A 12 1.482 -7.652 12.000 1.00 12.34 O ATOM 0 H ASP A 12 -1.014 -6.557 9.331 1.00 32.14 H new ATOM 0 HA ASP A 12 -2.109 -6.969 11.160 1.00 31.14 H new ATOM 0 HB2 ASP A 12 0.102 -5.671 12.822 1.00 33.22 H new ATOM 0 HB3 ASP A 12 -1.206 -6.655 13.449 1.00 33.22 H new ATOM 186 N ASP A 13 -1.610 -3.727 11.842 1.00 0.42 N ATOM 187 CA ASP A 13 -2.256 -2.433 12.141 1.00 55.44 C ATOM 188 C ASP A 13 -3.230 -2.015 11.026 1.00 51.13 C ATOM 189 O ASP A 13 -2.818 -1.788 9.880 1.00 24.24 O ATOM 190 CB ASP A 13 -1.192 -1.326 12.336 1.00 74.42 C ATOM 191 CG ASP A 13 -0.191 -1.646 13.451 1.00 32.25 C ATOM 192 OD1 ASP A 13 0.799 -2.364 13.179 1.00 31.44 O ATOM 193 OD2 ASP A 13 -0.387 -1.195 14.603 1.00 35.42 O ATOM 0 H ASP A 13 -0.593 -3.667 11.791 1.00 0.42 H new ATOM 0 HA ASP A 13 -2.822 -2.561 13.064 1.00 55.44 H new ATOM 0 HB2 ASP A 13 -0.651 -1.181 11.401 1.00 74.42 H new ATOM 0 HB3 ASP A 13 -1.693 -0.385 12.564 1.00 74.42 H new ATOM 198 N THR A 14 -4.514 -1.909 11.392 1.00 44.31 N ATOM 199 CA THR A 14 -5.596 -1.491 10.489 1.00 1.04 C ATOM 200 C THR A 14 -5.515 0.019 10.161 1.00 13.41 C ATOM 201 O THR A 14 -6.178 0.504 9.230 1.00 73.23 O ATOM 202 CB THR A 14 -6.983 -1.846 11.118 1.00 12.12 C ATOM 203 OG1 THR A 14 -8.043 -1.606 10.178 1.00 25.12 O ATOM 204 CG2 THR A 14 -7.265 -1.071 12.420 1.00 33.13 C ATOM 0 H THR A 14 -4.836 -2.114 12.338 1.00 44.31 H new ATOM 0 HA THR A 14 -5.481 -2.033 9.550 1.00 1.04 H new ATOM 0 HB THR A 14 -6.943 -2.906 11.368 1.00 12.12 H new ATOM 0 HG1 THR A 14 -7.842 -2.063 9.335 1.00 25.12 H new ATOM 0 HG21 THR A 14 -8.241 -1.359 12.810 1.00 33.13 H new ATOM 0 HG22 THR A 14 -6.496 -1.305 13.157 1.00 33.13 H new ATOM 0 HG23 THR A 14 -7.257 -0.000 12.215 1.00 33.13 H new ATOM 212 N THR A 15 -4.698 0.752 10.955 1.00 71.12 N ATOM 213 CA THR A 15 -4.429 2.184 10.761 1.00 22.21 C ATOM 214 C THR A 15 -3.926 2.488 9.328 1.00 73.04 C ATOM 215 O THR A 15 -4.323 3.478 8.728 1.00 55.02 O ATOM 216 CB THR A 15 -3.382 2.706 11.806 1.00 31.41 C ATOM 217 OG1 THR A 15 -3.599 2.082 13.085 1.00 31.14 O ATOM 218 CG2 THR A 15 -3.467 4.235 11.982 1.00 35.14 C ATOM 0 H THR A 15 -4.205 0.355 11.755 1.00 71.12 H new ATOM 0 HA THR A 15 -5.375 2.704 10.910 1.00 22.21 H new ATOM 0 HB THR A 15 -2.393 2.450 11.425 1.00 31.41 H new ATOM 0 HG1 THR A 15 -2.938 2.415 13.728 1.00 31.14 H new ATOM 0 HG21 THR A 15 -2.727 4.559 12.713 1.00 35.14 H new ATOM 0 HG22 THR A 15 -3.271 4.723 11.027 1.00 35.14 H new ATOM 0 HG23 THR A 15 -4.464 4.506 12.330 1.00 35.14 H new ATOM 226 N LEU A 16 -3.105 1.578 8.776 1.00 43.22 N ATOM 227 CA LEU A 16 -2.503 1.750 7.433 1.00 3.53 C ATOM 228 C LEU A 16 -3.576 1.623 6.329 1.00 32.42 C ATOM 229 O LEU A 16 -3.464 2.243 5.269 1.00 13.41 O ATOM 230 CB LEU A 16 -1.340 0.737 7.198 1.00 42.43 C ATOM 231 CG LEU A 16 -0.026 0.995 8.021 1.00 0.13 C ATOM 232 CD1 LEU A 16 -0.196 0.611 9.497 1.00 2.35 C ATOM 233 CD2 LEU A 16 1.190 0.284 7.398 1.00 35.23 C ATOM 0 H LEU A 16 -2.839 0.709 9.239 1.00 43.22 H new ATOM 0 HA LEU A 16 -2.082 2.754 7.384 1.00 3.53 H new ATOM 0 HB2 LEU A 16 -1.703 -0.263 7.434 1.00 42.43 H new ATOM 0 HB3 LEU A 16 -1.088 0.743 6.138 1.00 42.43 H new ATOM 0 HG LEU A 16 0.166 2.067 7.980 1.00 0.13 H new ATOM 0 HD11 LEU A 16 0.734 0.804 10.033 1.00 2.35 H new ATOM 0 HD12 LEU A 16 -0.998 1.204 9.937 1.00 2.35 H new ATOM 0 HD13 LEU A 16 -0.445 -0.448 9.571 1.00 2.35 H new ATOM 0 HD21 LEU A 16 2.077 0.488 7.997 1.00 35.23 H new ATOM 0 HD22 LEU A 16 1.009 -0.791 7.372 1.00 35.23 H new ATOM 0 HD23 LEU A 16 1.345 0.651 6.383 1.00 35.23 H new ATOM 245 N GLU A 17 -4.632 0.839 6.622 1.00 24.42 N ATOM 246 CA GLU A 17 -5.746 0.580 5.692 1.00 32.14 C ATOM 247 C GLU A 17 -6.735 1.769 5.664 1.00 11.01 C ATOM 248 O GLU A 17 -7.242 2.137 4.597 1.00 44.00 O ATOM 249 CB GLU A 17 -6.480 -0.721 6.112 1.00 63.41 C ATOM 250 CG GLU A 17 -5.558 -1.950 6.294 1.00 72.14 C ATOM 251 CD GLU A 17 -6.328 -3.217 6.704 1.00 53.42 C ATOM 252 OE1 GLU A 17 -6.919 -3.224 7.805 1.00 53.04 O ATOM 253 OE2 GLU A 17 -6.368 -4.204 5.930 1.00 13.22 O ATOM 0 H GLU A 17 -4.736 0.364 7.519 1.00 24.42 H new ATOM 0 HA GLU A 17 -5.340 0.460 4.687 1.00 32.14 H new ATOM 0 HB2 GLU A 17 -7.009 -0.538 7.047 1.00 63.41 H new ATOM 0 HB3 GLU A 17 -7.233 -0.956 5.360 1.00 63.41 H new ATOM 0 HG2 GLU A 17 -5.025 -2.140 5.362 1.00 72.14 H new ATOM 0 HG3 GLU A 17 -4.807 -1.726 7.051 1.00 72.14 H new ATOM 260 N GLU A 18 -7.014 2.353 6.850 1.00 24.33 N ATOM 261 CA GLU A 18 -7.970 3.481 6.985 1.00 73.24 C ATOM 262 C GLU A 18 -7.333 4.817 6.517 1.00 31.44 C ATOM 263 O GLU A 18 -8.025 5.671 5.949 1.00 44.12 O ATOM 264 CB GLU A 18 -8.488 3.584 8.449 1.00 10.42 C ATOM 265 CG GLU A 18 -7.409 3.936 9.487 1.00 4.34 C ATOM 266 CD GLU A 18 -7.898 3.891 10.945 1.00 14.31 C ATOM 267 OE1 GLU A 18 -7.913 2.788 11.543 1.00 63.53 O ATOM 268 OE2 GLU A 18 -8.261 4.952 11.503 1.00 32.24 O ATOM 0 H GLU A 18 -6.591 2.063 7.732 1.00 24.33 H new ATOM 0 HA GLU A 18 -8.823 3.283 6.336 1.00 73.24 H new ATOM 0 HB2 GLU A 18 -9.273 4.339 8.490 1.00 10.42 H new ATOM 0 HB3 GLU A 18 -8.944 2.634 8.727 1.00 10.42 H new ATOM 0 HG2 GLU A 18 -6.573 3.245 9.374 1.00 4.34 H new ATOM 0 HG3 GLU A 18 -7.028 4.935 9.274 1.00 4.34 H new ATOM 275 N LEU A 19 -6.008 4.971 6.764 1.00 31.02 N ATOM 276 CA LEU A 19 -5.216 6.123 6.274 1.00 41.41 C ATOM 277 C LEU A 19 -5.174 6.112 4.729 1.00 64.11 C ATOM 278 O LEU A 19 -5.291 7.162 4.105 1.00 31.33 O ATOM 279 CB LEU A 19 -3.766 6.107 6.868 1.00 61.52 C ATOM 280 CG LEU A 19 -3.624 6.529 8.375 1.00 24.24 C ATOM 281 CD1 LEU A 19 -2.243 6.143 8.954 1.00 54.41 C ATOM 282 CD2 LEU A 19 -3.882 8.038 8.572 1.00 0.12 C ATOM 0 H LEU A 19 -5.462 4.302 7.307 1.00 31.02 H new ATOM 0 HA LEU A 19 -5.699 7.041 6.609 1.00 41.41 H new ATOM 0 HB2 LEU A 19 -3.362 5.101 6.755 1.00 61.52 H new ATOM 0 HB3 LEU A 19 -3.143 6.770 6.267 1.00 61.52 H new ATOM 0 HG LEU A 19 -4.387 5.977 8.924 1.00 24.24 H new ATOM 0 HD11 LEU A 19 -2.187 6.453 9.998 1.00 54.41 H new ATOM 0 HD12 LEU A 19 -2.110 5.063 8.888 1.00 54.41 H new ATOM 0 HD13 LEU A 19 -1.458 6.641 8.385 1.00 54.41 H new ATOM 0 HD21 LEU A 19 -3.775 8.291 9.627 1.00 0.12 H new ATOM 0 HD22 LEU A 19 -3.162 8.610 7.987 1.00 0.12 H new ATOM 0 HD23 LEU A 19 -4.892 8.281 8.242 1.00 0.12 H new ATOM 294 N ALA A 20 -5.050 4.895 4.146 1.00 60.52 N ATOM 295 CA ALA A 20 -4.954 4.671 2.685 1.00 21.01 C ATOM 296 C ALA A 20 -6.093 5.352 1.893 1.00 52.23 C ATOM 297 O ALA A 20 -5.866 5.875 0.794 1.00 34.23 O ATOM 298 CB ALA A 20 -4.923 3.162 2.394 1.00 70.04 C ATOM 0 H ALA A 20 -5.013 4.030 4.686 1.00 60.52 H new ATOM 0 HA ALA A 20 -4.027 5.134 2.347 1.00 21.01 H new ATOM 0 HB1 ALA A 20 -4.852 3.000 1.318 1.00 70.04 H new ATOM 0 HB2 ALA A 20 -4.059 2.714 2.886 1.00 70.04 H new ATOM 0 HB3 ALA A 20 -5.835 2.700 2.771 1.00 70.04 H new ATOM 304 N ARG A 21 -7.312 5.332 2.473 1.00 62.14 N ATOM 305 CA ARG A 21 -8.499 5.998 1.903 1.00 65.02 C ATOM 306 C ARG A 21 -8.271 7.520 1.796 1.00 11.01 C ATOM 307 O ARG A 21 -8.628 8.140 0.795 1.00 75.14 O ATOM 308 CB ARG A 21 -9.752 5.690 2.776 1.00 14.12 C ATOM 309 CG ARG A 21 -11.037 6.439 2.343 1.00 61.24 C ATOM 310 CD ARG A 21 -12.248 6.172 3.256 1.00 70.10 C ATOM 311 NE ARG A 21 -13.348 7.127 2.989 1.00 11.24 N ATOM 312 CZ ARG A 21 -14.347 7.425 3.840 1.00 15.41 C ATOM 313 NH1 ARG A 21 -14.416 6.850 5.037 1.00 41.52 N ATOM 314 NH2 ARG A 21 -15.267 8.317 3.488 1.00 24.30 N ATOM 0 H ARG A 21 -7.499 4.851 3.353 1.00 62.14 H new ATOM 0 HA ARG A 21 -8.668 5.611 0.898 1.00 65.02 H new ATOM 0 HB2 ARG A 21 -9.945 4.618 2.747 1.00 14.12 H new ATOM 0 HB3 ARG A 21 -9.529 5.946 3.812 1.00 14.12 H new ATOM 0 HG2 ARG A 21 -10.835 7.510 2.327 1.00 61.24 H new ATOM 0 HG3 ARG A 21 -11.291 6.147 1.324 1.00 61.24 H new ATOM 0 HD2 ARG A 21 -12.604 5.153 3.102 1.00 70.10 H new ATOM 0 HD3 ARG A 21 -11.943 6.249 4.300 1.00 70.10 H new ATOM 0 HE ARG A 21 -13.348 7.598 2.084 1.00 11.24 H new ATOM 0 HH11 ARG A 21 -13.706 6.174 5.320 1.00 41.52 H new ATOM 0 HH12 ARG A 21 -15.179 7.085 5.672 1.00 41.52 H new ATOM 0 HH21 ARG A 21 -15.214 8.772 2.577 1.00 24.30 H new ATOM 0 HH22 ARG A 21 -16.026 8.547 4.129 1.00 24.30 H new ATOM 328 N LYS A 22 -7.649 8.095 2.838 1.00 33.14 N ATOM 329 CA LYS A 22 -7.412 9.547 2.942 1.00 33.34 C ATOM 330 C LYS A 22 -6.293 10.018 1.996 1.00 53.30 C ATOM 331 O LYS A 22 -6.316 11.163 1.536 1.00 71.14 O ATOM 332 CB LYS A 22 -7.112 9.938 4.415 1.00 21.00 C ATOM 333 CG LYS A 22 -8.245 9.577 5.413 1.00 74.24 C ATOM 334 CD LYS A 22 -9.628 10.163 5.019 1.00 72.54 C ATOM 335 CE LYS A 22 -9.629 11.700 4.912 1.00 12.21 C ATOM 336 NZ LYS A 22 -10.925 12.228 4.412 1.00 55.22 N ATOM 0 H LYS A 22 -7.295 7.566 3.635 1.00 33.14 H new ATOM 0 HA LYS A 22 -8.322 10.058 2.627 1.00 33.34 H new ATOM 0 HB2 LYS A 22 -6.194 9.443 4.731 1.00 21.00 H new ATOM 0 HB3 LYS A 22 -6.928 11.011 4.464 1.00 21.00 H new ATOM 0 HG2 LYS A 22 -8.325 8.492 5.482 1.00 74.24 H new ATOM 0 HG3 LYS A 22 -7.974 9.940 6.404 1.00 74.24 H new ATOM 0 HD2 LYS A 22 -9.936 9.739 4.063 1.00 72.54 H new ATOM 0 HD3 LYS A 22 -10.369 9.856 5.757 1.00 72.54 H new ATOM 0 HE2 LYS A 22 -9.417 12.131 5.891 1.00 12.21 H new ATOM 0 HE3 LYS A 22 -8.828 12.016 4.244 1.00 12.21 H new ATOM 0 HZ1 LYS A 22 -10.879 13.265 4.356 1.00 55.22 H new ATOM 0 HZ2 LYS A 22 -11.117 11.839 3.467 1.00 55.22 H new ATOM 0 HZ3 LYS A 22 -11.687 11.950 5.062 1.00 55.22 H new ATOM 350 N ILE A 23 -5.313 9.133 1.725 1.00 21.44 N ATOM 351 CA ILE A 23 -4.284 9.389 0.700 1.00 2.11 C ATOM 352 C ILE A 23 -4.931 9.495 -0.699 1.00 72.32 C ATOM 353 O ILE A 23 -4.753 10.509 -1.377 1.00 10.24 O ATOM 354 CB ILE A 23 -3.123 8.301 0.711 1.00 4.34 C ATOM 355 CG1 ILE A 23 -2.105 8.556 1.868 1.00 51.44 C ATOM 356 CG2 ILE A 23 -2.357 8.227 -0.638 1.00 55.52 C ATOM 357 CD1 ILE A 23 -2.596 8.276 3.269 1.00 32.11 C ATOM 0 H ILE A 23 -5.213 8.237 2.201 1.00 21.44 H new ATOM 0 HA ILE A 23 -3.816 10.342 0.946 1.00 2.11 H new ATOM 0 HB ILE A 23 -3.620 7.344 0.872 1.00 4.34 H new ATOM 0 HG12 ILE A 23 -1.222 7.944 1.687 1.00 51.44 H new ATOM 0 HG13 ILE A 23 -1.786 9.597 1.819 1.00 51.44 H new ATOM 0 HG21 ILE A 23 -1.577 7.468 -0.572 1.00 55.52 H new ATOM 0 HG22 ILE A 23 -3.051 7.966 -1.437 1.00 55.52 H new ATOM 0 HG23 ILE A 23 -1.904 9.195 -0.853 1.00 55.52 H new ATOM 0 HD11 ILE A 23 -1.801 8.490 3.983 1.00 32.11 H new ATOM 0 HD12 ILE A 23 -3.458 8.907 3.485 1.00 32.11 H new ATOM 0 HD13 ILE A 23 -2.884 7.228 3.351 1.00 32.11 H new ATOM 369 N LYS A 24 -5.715 8.467 -1.112 1.00 60.04 N ATOM 370 CA LYS A 24 -6.350 8.462 -2.455 1.00 71.35 C ATOM 371 C LYS A 24 -7.428 9.551 -2.596 1.00 71.45 C ATOM 372 O LYS A 24 -7.782 9.935 -3.720 1.00 70.32 O ATOM 373 CB LYS A 24 -6.916 7.074 -2.859 1.00 24.13 C ATOM 374 CG LYS A 24 -7.997 6.457 -1.950 1.00 71.04 C ATOM 375 CD LYS A 24 -8.785 5.330 -2.673 1.00 73.31 C ATOM 376 CE LYS A 24 -7.875 4.260 -3.319 1.00 73.33 C ATOM 377 NZ LYS A 24 -8.643 3.307 -4.166 1.00 31.02 N ATOM 0 H LYS A 24 -5.920 7.644 -0.546 1.00 60.04 H new ATOM 0 HA LYS A 24 -5.545 8.693 -3.152 1.00 71.35 H new ATOM 0 HB2 LYS A 24 -7.329 7.158 -3.864 1.00 24.13 H new ATOM 0 HB3 LYS A 24 -6.083 6.374 -2.915 1.00 24.13 H new ATOM 0 HG2 LYS A 24 -7.530 6.055 -1.051 1.00 71.04 H new ATOM 0 HG3 LYS A 24 -8.689 7.235 -1.628 1.00 71.04 H new ATOM 0 HD2 LYS A 24 -9.451 4.846 -1.958 1.00 73.31 H new ATOM 0 HD3 LYS A 24 -9.414 5.774 -3.444 1.00 73.31 H new ATOM 0 HE2 LYS A 24 -7.114 4.751 -3.926 1.00 73.33 H new ATOM 0 HE3 LYS A 24 -7.353 3.709 -2.537 1.00 73.33 H new ATOM 0 HZ1 LYS A 24 -8.023 2.924 -4.908 1.00 31.02 H new ATOM 0 HZ2 LYS A 24 -8.999 2.528 -3.576 1.00 31.02 H new ATOM 0 HZ3 LYS A 24 -9.445 3.802 -4.606 1.00 31.02 H new ATOM 391 N ASP A 25 -7.931 10.029 -1.442 1.00 54.34 N ATOM 392 CA ASP A 25 -8.906 11.131 -1.351 1.00 52.11 C ATOM 393 C ASP A 25 -8.316 12.471 -1.884 1.00 42.23 C ATOM 394 O ASP A 25 -9.069 13.387 -2.239 1.00 40.13 O ATOM 395 CB ASP A 25 -9.375 11.258 0.126 1.00 60.42 C ATOM 396 CG ASP A 25 -10.604 12.162 0.320 1.00 30.14 C ATOM 397 OD1 ASP A 25 -11.701 11.773 -0.120 1.00 61.11 O ATOM 398 OD2 ASP A 25 -10.490 13.244 0.933 1.00 72.14 O ATOM 0 H ASP A 25 -7.666 9.653 -0.531 1.00 54.34 H new ATOM 0 HA ASP A 25 -9.763 10.906 -1.985 1.00 52.11 H new ATOM 0 HB2 ASP A 25 -9.605 10.264 0.510 1.00 60.42 H new ATOM 0 HB3 ASP A 25 -8.552 11.649 0.725 1.00 60.42 H new ATOM 403 N GLU A 26 -6.962 12.569 -1.947 1.00 72.10 N ATOM 404 CA GLU A 26 -6.260 13.749 -2.510 1.00 40.13 C ATOM 405 C GLU A 26 -6.308 13.775 -4.057 1.00 22.15 C ATOM 406 O GLU A 26 -6.032 14.814 -4.666 1.00 4.43 O ATOM 407 CB GLU A 26 -4.788 13.799 -2.015 1.00 2.20 C ATOM 408 CG GLU A 26 -4.627 13.907 -0.485 1.00 22.02 C ATOM 409 CD GLU A 26 -5.342 15.130 0.118 1.00 61.44 C ATOM 410 OE1 GLU A 26 -4.848 16.268 -0.045 1.00 24.53 O ATOM 411 OE2 GLU A 26 -6.410 14.961 0.743 1.00 74.55 O ATOM 0 H GLU A 26 -6.333 11.839 -1.612 1.00 72.10 H new ATOM 0 HA GLU A 26 -6.786 14.634 -2.152 1.00 40.13 H new ATOM 0 HB2 GLU A 26 -4.273 12.902 -2.359 1.00 2.20 H new ATOM 0 HB3 GLU A 26 -4.291 14.650 -2.480 1.00 2.20 H new ATOM 0 HG2 GLU A 26 -5.017 13.001 -0.021 1.00 22.02 H new ATOM 0 HG3 GLU A 26 -3.566 13.958 -0.241 1.00 22.02 H new ATOM 418 N GLY A 27 -6.637 12.624 -4.685 1.00 43.02 N ATOM 419 CA GLY A 27 -6.897 12.562 -6.136 1.00 24.42 C ATOM 420 C GLY A 27 -6.006 11.582 -6.902 1.00 34.45 C ATOM 421 O GLY A 27 -5.890 11.687 -8.126 1.00 3.34 O ATOM 0 H GLY A 27 -6.728 11.727 -4.208 1.00 43.02 H new ATOM 0 HA2 GLY A 27 -7.939 12.284 -6.293 1.00 24.42 H new ATOM 0 HA3 GLY A 27 -6.765 13.558 -6.558 1.00 24.42 H new ATOM 425 N LEU A 28 -5.405 10.612 -6.195 1.00 53.42 N ATOM 426 CA LEU A 28 -4.483 9.598 -6.787 1.00 13.30 C ATOM 427 C LEU A 28 -4.946 8.181 -6.410 1.00 61.54 C ATOM 428 O LEU A 28 -5.888 8.031 -5.640 1.00 25.55 O ATOM 429 CB LEU A 28 -3.008 9.822 -6.324 1.00 44.41 C ATOM 430 CG LEU A 28 -2.721 9.767 -4.779 1.00 61.32 C ATOM 431 CD1 LEU A 28 -1.218 9.580 -4.486 1.00 11.00 C ATOM 432 CD2 LEU A 28 -3.239 11.032 -4.069 1.00 72.40 C ATOM 0 H LEU A 28 -5.538 10.498 -5.190 1.00 53.42 H new ATOM 0 HA LEU A 28 -4.513 9.712 -7.871 1.00 13.30 H new ATOM 0 HB2 LEU A 28 -2.384 9.072 -6.810 1.00 44.41 H new ATOM 0 HB3 LEU A 28 -2.683 10.795 -6.693 1.00 44.41 H new ATOM 0 HG LEU A 28 -3.257 8.902 -4.389 1.00 61.32 H new ATOM 0 HD11 LEU A 28 -1.059 9.547 -3.408 1.00 11.00 H new ATOM 0 HD12 LEU A 28 -0.874 8.647 -4.933 1.00 11.00 H new ATOM 0 HD13 LEU A 28 -0.658 10.414 -4.910 1.00 11.00 H new ATOM 0 HD21 LEU A 28 -3.026 10.964 -3.002 1.00 72.40 H new ATOM 0 HD22 LEU A 28 -2.743 11.910 -4.483 1.00 72.40 H new ATOM 0 HD23 LEU A 28 -4.315 11.118 -4.219 1.00 72.40 H new ATOM 444 N GLU A 29 -4.301 7.141 -6.973 1.00 52.51 N ATOM 445 CA GLU A 29 -4.596 5.733 -6.623 1.00 41.34 C ATOM 446 C GLU A 29 -3.664 5.250 -5.494 1.00 31.42 C ATOM 447 O GLU A 29 -2.532 5.729 -5.360 1.00 22.31 O ATOM 448 CB GLU A 29 -4.435 4.834 -7.881 1.00 3.34 C ATOM 449 CG GLU A 29 -4.827 3.345 -7.690 1.00 51.02 C ATOM 450 CD GLU A 29 -6.289 3.142 -7.243 1.00 74.44 C ATOM 451 OE1 GLU A 29 -7.203 3.327 -8.074 1.00 41.52 O ATOM 452 OE2 GLU A 29 -6.535 2.821 -6.059 1.00 3.13 O ATOM 0 H GLU A 29 -3.569 7.248 -7.675 1.00 52.51 H new ATOM 0 HA GLU A 29 -5.624 5.666 -6.268 1.00 41.34 H new ATOM 0 HB2 GLU A 29 -5.041 5.251 -8.685 1.00 3.34 H new ATOM 0 HB3 GLU A 29 -3.396 4.879 -8.209 1.00 3.34 H new ATOM 0 HG2 GLU A 29 -4.666 2.813 -8.627 1.00 51.02 H new ATOM 0 HG3 GLU A 29 -4.164 2.896 -6.950 1.00 51.02 H new ATOM 459 N VAL A 30 -4.169 4.303 -4.678 1.00 54.32 N ATOM 460 CA VAL A 30 -3.392 3.622 -3.632 1.00 62.23 C ATOM 461 C VAL A 30 -3.347 2.114 -3.923 1.00 21.12 C ATOM 462 O VAL A 30 -4.375 1.474 -4.178 1.00 0.15 O ATOM 463 CB VAL A 30 -3.981 3.873 -2.191 1.00 75.12 C ATOM 464 CG1 VAL A 30 -3.258 3.037 -1.103 1.00 31.22 C ATOM 465 CG2 VAL A 30 -3.897 5.363 -1.845 1.00 13.21 C ATOM 0 H VAL A 30 -5.138 3.989 -4.730 1.00 54.32 H new ATOM 0 HA VAL A 30 -2.384 4.037 -3.647 1.00 62.23 H new ATOM 0 HB VAL A 30 -5.023 3.553 -2.207 1.00 75.12 H new ATOM 0 HG11 VAL A 30 -3.701 3.246 -0.129 1.00 31.22 H new ATOM 0 HG12 VAL A 30 -3.364 1.976 -1.329 1.00 31.22 H new ATOM 0 HG13 VAL A 30 -2.200 3.301 -1.085 1.00 31.22 H new ATOM 0 HG21 VAL A 30 -4.306 5.529 -0.848 1.00 13.21 H new ATOM 0 HG22 VAL A 30 -2.856 5.684 -1.868 1.00 13.21 H new ATOM 0 HG23 VAL A 30 -4.470 5.938 -2.572 1.00 13.21 H new ATOM 475 N TYR A 31 -2.129 1.578 -3.873 1.00 41.13 N ATOM 476 CA TYR A 31 -1.853 0.146 -3.927 1.00 53.12 C ATOM 477 C TYR A 31 -1.502 -0.289 -2.502 1.00 2.25 C ATOM 478 O TYR A 31 -0.914 0.488 -1.752 1.00 13.42 O ATOM 479 CB TYR A 31 -0.659 -0.150 -4.884 1.00 53.13 C ATOM 480 CG TYR A 31 -0.927 0.067 -6.393 1.00 35.13 C ATOM 481 CD1 TYR A 31 -1.509 1.243 -6.879 1.00 15.12 C ATOM 482 CD2 TYR A 31 -0.580 -0.909 -7.331 1.00 45.51 C ATOM 483 CE1 TYR A 31 -1.730 1.432 -8.233 1.00 21.02 C ATOM 484 CE2 TYR A 31 -0.794 -0.720 -8.683 1.00 21.02 C ATOM 485 CZ TYR A 31 -1.373 0.449 -9.128 1.00 2.15 C ATOM 486 OH TYR A 31 -1.592 0.636 -10.481 1.00 22.10 O ATOM 0 H TYR A 31 -1.285 2.144 -3.792 1.00 41.13 H new ATOM 0 HA TYR A 31 -2.718 -0.398 -4.307 1.00 53.12 H new ATOM 0 HB2 TYR A 31 0.181 0.480 -4.590 1.00 53.13 H new ATOM 0 HB3 TYR A 31 -0.348 -1.184 -4.736 1.00 53.13 H new ATOM 0 HD1 TYR A 31 -1.792 2.020 -6.184 1.00 15.12 H new ATOM 0 HD2 TYR A 31 -0.134 -1.832 -6.991 1.00 45.51 H new ATOM 0 HE1 TYR A 31 -2.181 2.348 -8.586 1.00 21.02 H new ATOM 0 HE2 TYR A 31 -0.508 -1.486 -9.389 1.00 21.02 H new ATOM 0 HH TYR A 31 -1.282 -0.152 -10.974 1.00 22.10 H new ATOM 496 N ILE A 32 -1.899 -1.497 -2.108 1.00 62.11 N ATOM 497 CA ILE A 32 -1.550 -2.056 -0.788 1.00 44.43 C ATOM 498 C ILE A 32 -0.750 -3.349 -1.004 1.00 13.42 C ATOM 499 O ILE A 32 -1.072 -4.136 -1.892 1.00 31.43 O ATOM 500 CB ILE A 32 -2.834 -2.367 0.077 1.00 22.10 C ATOM 501 CG1 ILE A 32 -3.775 -1.124 0.222 1.00 53.42 C ATOM 502 CG2 ILE A 32 -2.469 -2.934 1.475 1.00 51.21 C ATOM 503 CD1 ILE A 32 -3.231 0.009 1.065 1.00 34.04 C ATOM 0 H ILE A 32 -2.468 -2.118 -2.684 1.00 62.11 H new ATOM 0 HA ILE A 32 -0.960 -1.319 -0.244 1.00 44.43 H new ATOM 0 HB ILE A 32 -3.383 -3.134 -0.469 1.00 22.10 H new ATOM 0 HG12 ILE A 32 -3.996 -0.739 -0.774 1.00 53.42 H new ATOM 0 HG13 ILE A 32 -4.720 -1.454 0.654 1.00 53.42 H new ATOM 0 HG21 ILE A 32 -3.382 -3.134 2.036 1.00 51.21 H new ATOM 0 HG22 ILE A 32 -1.906 -3.860 1.356 1.00 51.21 H new ATOM 0 HG23 ILE A 32 -1.862 -2.207 2.015 1.00 51.21 H new ATOM 0 HD11 ILE A 32 -3.960 0.819 1.101 1.00 34.04 H new ATOM 0 HD12 ILE A 32 -3.038 -0.350 2.076 1.00 34.04 H new ATOM 0 HD13 ILE A 32 -2.303 0.376 0.627 1.00 34.04 H new ATOM 515 N LEU A 33 0.326 -3.540 -0.243 1.00 4.12 N ATOM 516 CA LEU A 33 0.989 -4.843 -0.123 1.00 13.45 C ATOM 517 C LEU A 33 0.683 -5.395 1.258 1.00 25.21 C ATOM 518 O LEU A 33 1.242 -4.951 2.262 1.00 43.13 O ATOM 519 CB LEU A 33 2.514 -4.728 -0.370 1.00 0.24 C ATOM 520 CG LEU A 33 2.914 -4.220 -1.783 1.00 5.30 C ATOM 521 CD1 LEU A 33 4.428 -4.285 -2.010 1.00 43.21 C ATOM 522 CD2 LEU A 33 2.148 -4.965 -2.890 1.00 20.42 C ATOM 0 H LEU A 33 0.764 -2.801 0.307 1.00 4.12 H new ATOM 0 HA LEU A 33 0.612 -5.526 -0.885 1.00 13.45 H new ATOM 0 HB2 LEU A 33 2.938 -4.055 0.375 1.00 0.24 H new ATOM 0 HB3 LEU A 33 2.968 -5.706 -0.210 1.00 0.24 H new ATOM 0 HG LEU A 33 2.628 -3.170 -1.834 1.00 5.30 H new ATOM 0 HD11 LEU A 33 4.662 -3.920 -3.010 1.00 43.21 H new ATOM 0 HD12 LEU A 33 4.934 -3.665 -1.270 1.00 43.21 H new ATOM 0 HD13 LEU A 33 4.767 -5.316 -1.911 1.00 43.21 H new ATOM 0 HD21 LEU A 33 2.454 -4.583 -3.864 1.00 20.42 H new ATOM 0 HD22 LEU A 33 2.370 -6.031 -2.832 1.00 20.42 H new ATOM 0 HD23 LEU A 33 1.077 -4.810 -2.759 1.00 20.42 H new ATOM 534 N LEU A 34 -0.241 -6.349 1.300 1.00 0.35 N ATOM 535 CA LEU A 34 -0.729 -6.913 2.557 1.00 3.34 C ATOM 536 C LEU A 34 0.260 -8.028 2.963 1.00 44.24 C ATOM 537 O LEU A 34 0.595 -8.883 2.132 1.00 2.12 O ATOM 538 CB LEU A 34 -2.190 -7.457 2.365 1.00 43.30 C ATOM 539 CG LEU A 34 -3.223 -7.213 3.526 1.00 73.31 C ATOM 540 CD1 LEU A 34 -2.730 -7.737 4.896 1.00 45.55 C ATOM 541 CD2 LEU A 34 -3.626 -5.730 3.606 1.00 13.21 C ATOM 0 H LEU A 34 -0.672 -6.753 0.468 1.00 0.35 H new ATOM 0 HA LEU A 34 -0.777 -6.164 3.347 1.00 3.34 H new ATOM 0 HB2 LEU A 34 -2.596 -7.012 1.457 1.00 43.30 H new ATOM 0 HB3 LEU A 34 -2.127 -8.532 2.193 1.00 43.30 H new ATOM 0 HG LEU A 34 -4.109 -7.797 3.278 1.00 73.31 H new ATOM 0 HD11 LEU A 34 -3.487 -7.539 5.655 1.00 45.55 H new ATOM 0 HD12 LEU A 34 -2.552 -8.811 4.832 1.00 45.55 H new ATOM 0 HD13 LEU A 34 -1.803 -7.231 5.167 1.00 45.55 H new ATOM 0 HD21 LEU A 34 -4.341 -5.590 4.417 1.00 13.21 H new ATOM 0 HD22 LEU A 34 -2.741 -5.122 3.794 1.00 13.21 H new ATOM 0 HD23 LEU A 34 -4.082 -5.426 2.664 1.00 13.21 H new ATOM 553 N LYS A 35 0.753 -7.995 4.211 1.00 64.34 N ATOM 554 CA LYS A 35 1.552 -9.096 4.785 1.00 12.21 C ATOM 555 C LYS A 35 0.917 -9.546 6.118 1.00 41.35 C ATOM 556 O LYS A 35 0.722 -8.738 7.036 1.00 31.42 O ATOM 557 CB LYS A 35 3.062 -8.717 4.958 1.00 63.21 C ATOM 558 CG LYS A 35 3.353 -7.417 5.747 1.00 33.14 C ATOM 559 CD LYS A 35 4.835 -7.306 6.207 1.00 24.24 C ATOM 560 CE LYS A 35 5.854 -7.413 5.055 1.00 25.21 C ATOM 561 NZ LYS A 35 7.261 -7.265 5.533 1.00 34.24 N ATOM 0 H LYS A 35 0.612 -7.212 4.849 1.00 64.34 H new ATOM 0 HA LYS A 35 1.538 -9.930 4.084 1.00 12.21 H new ATOM 0 HB2 LYS A 35 3.567 -9.543 5.459 1.00 63.21 H new ATOM 0 HB3 LYS A 35 3.508 -8.624 3.968 1.00 63.21 H new ATOM 0 HG2 LYS A 35 3.106 -6.557 5.124 1.00 33.14 H new ATOM 0 HG3 LYS A 35 2.703 -7.375 6.621 1.00 33.14 H new ATOM 0 HD2 LYS A 35 4.977 -6.354 6.718 1.00 24.24 H new ATOM 0 HD3 LYS A 35 5.040 -8.091 6.935 1.00 24.24 H new ATOM 0 HE2 LYS A 35 5.740 -8.377 4.559 1.00 25.21 H new ATOM 0 HE3 LYS A 35 5.642 -6.645 4.311 1.00 25.21 H new ATOM 0 HZ1 LYS A 35 7.882 -7.892 4.983 1.00 34.24 H new ATOM 0 HZ2 LYS A 35 7.567 -6.279 5.410 1.00 34.24 H new ATOM 0 HZ3 LYS A 35 7.315 -7.522 6.539 1.00 34.24 H new ATOM 575 N ASP A 36 0.527 -10.824 6.167 1.00 63.21 N ATOM 576 CA ASP A 36 -0.008 -11.491 7.367 1.00 2.34 C ATOM 577 C ASP A 36 0.658 -12.871 7.482 1.00 61.44 C ATOM 578 O ASP A 36 0.999 -13.480 6.456 1.00 0.21 O ATOM 579 CB ASP A 36 -1.551 -11.608 7.273 1.00 31.13 C ATOM 580 CG ASP A 36 -2.213 -12.154 8.551 1.00 32.54 C ATOM 581 OD1 ASP A 36 -2.440 -11.362 9.493 1.00 61.15 O ATOM 582 OD2 ASP A 36 -2.489 -13.372 8.634 1.00 43.22 O ATOM 0 H ASP A 36 0.574 -11.441 5.356 1.00 63.21 H new ATOM 0 HA ASP A 36 0.214 -10.909 8.261 1.00 2.34 H new ATOM 0 HB2 ASP A 36 -1.967 -10.625 7.051 1.00 31.13 H new ATOM 0 HB3 ASP A 36 -1.806 -12.259 6.437 1.00 31.13 H new ATOM 587 N LYS A 37 0.821 -13.378 8.723 1.00 4.40 N ATOM 588 CA LYS A 37 1.578 -14.628 8.991 1.00 2.25 C ATOM 589 C LYS A 37 0.782 -15.892 8.594 1.00 34.51 C ATOM 590 O LYS A 37 1.321 -17.003 8.619 1.00 63.11 O ATOM 591 CB LYS A 37 2.008 -14.711 10.488 1.00 12.53 C ATOM 592 CG LYS A 37 2.685 -13.442 11.069 1.00 45.52 C ATOM 593 CD LYS A 37 3.830 -12.874 10.195 1.00 34.32 C ATOM 594 CE LYS A 37 5.023 -13.830 10.024 1.00 11.32 C ATOM 595 NZ LYS A 37 6.088 -13.216 9.187 1.00 60.40 N ATOM 0 H LYS A 37 0.438 -12.941 9.561 1.00 4.40 H new ATOM 0 HA LYS A 37 2.471 -14.593 8.368 1.00 2.25 H new ATOM 0 HB2 LYS A 37 1.126 -14.936 11.088 1.00 12.53 H new ATOM 0 HB3 LYS A 37 2.694 -15.550 10.603 1.00 12.53 H new ATOM 0 HG2 LYS A 37 1.928 -12.669 11.202 1.00 45.52 H new ATOM 0 HG3 LYS A 37 3.080 -13.675 12.058 1.00 45.52 H new ATOM 0 HD2 LYS A 37 3.433 -12.626 9.211 1.00 34.32 H new ATOM 0 HD3 LYS A 37 4.184 -11.944 10.639 1.00 34.32 H new ATOM 0 HE2 LYS A 37 5.429 -14.088 11.002 1.00 11.32 H new ATOM 0 HE3 LYS A 37 4.685 -14.759 9.564 1.00 11.32 H new ATOM 0 HZ1 LYS A 37 6.880 -13.883 9.089 1.00 60.40 H new ATOM 0 HZ2 LYS A 37 5.705 -12.992 8.246 1.00 60.40 H new ATOM 0 HZ3 LYS A 37 6.425 -12.343 9.640 1.00 60.40 H new ATOM 609 N ASP A 38 -0.501 -15.711 8.266 1.00 41.04 N ATOM 610 CA ASP A 38 -1.379 -16.773 7.750 1.00 52.53 C ATOM 611 C ASP A 38 -1.877 -16.339 6.365 1.00 20.45 C ATOM 612 O ASP A 38 -2.666 -15.402 6.282 1.00 31.43 O ATOM 613 CB ASP A 38 -2.568 -16.980 8.730 1.00 62.25 C ATOM 614 CG ASP A 38 -3.477 -18.163 8.342 1.00 53.22 C ATOM 615 OD1 ASP A 38 -4.360 -17.995 7.480 1.00 62.53 O ATOM 616 OD2 ASP A 38 -3.294 -19.275 8.888 1.00 50.24 O ATOM 0 H ASP A 38 -0.969 -14.809 8.352 1.00 41.04 H new ATOM 0 HA ASP A 38 -0.844 -17.719 7.665 1.00 52.53 H new ATOM 0 HB2 ASP A 38 -2.178 -17.144 9.734 1.00 62.25 H new ATOM 0 HB3 ASP A 38 -3.164 -16.068 8.765 1.00 62.25 H new ATOM 621 N GLU A 39 -1.391 -16.997 5.285 1.00 44.42 N ATOM 622 CA GLU A 39 -1.687 -16.578 3.893 1.00 43.25 C ATOM 623 C GLU A 39 -3.188 -16.650 3.516 1.00 75.42 C ATOM 624 O GLU A 39 -3.576 -16.096 2.489 1.00 4.42 O ATOM 625 CB GLU A 39 -0.848 -17.366 2.851 1.00 15.10 C ATOM 626 CG GLU A 39 -1.264 -18.837 2.628 1.00 70.42 C ATOM 627 CD GLU A 39 -0.659 -19.417 1.340 1.00 73.41 C ATOM 628 OE1 GLU A 39 -1.179 -19.112 0.243 1.00 10.12 O ATOM 629 OE2 GLU A 39 0.359 -20.129 1.407 1.00 0.53 O ATOM 0 H GLU A 39 -0.792 -17.820 5.351 1.00 44.42 H new ATOM 0 HA GLU A 39 -1.399 -15.527 3.863 1.00 43.25 H new ATOM 0 HB2 GLU A 39 -0.905 -16.843 1.896 1.00 15.10 H new ATOM 0 HB3 GLU A 39 0.196 -17.347 3.163 1.00 15.10 H new ATOM 0 HG2 GLU A 39 -0.946 -19.437 3.480 1.00 70.42 H new ATOM 0 HG3 GLU A 39 -2.351 -18.903 2.580 1.00 70.42 H new ATOM 636 N LYS A 40 -4.015 -17.336 4.334 1.00 2.32 N ATOM 637 CA LYS A 40 -5.470 -17.458 4.083 1.00 43.25 C ATOM 638 C LYS A 40 -6.216 -16.226 4.646 1.00 54.32 C ATOM 639 O LYS A 40 -7.042 -15.621 3.955 1.00 50.42 O ATOM 640 CB LYS A 40 -6.022 -18.778 4.690 1.00 12.33 C ATOM 641 CG LYS A 40 -5.242 -20.047 4.266 1.00 74.21 C ATOM 642 CD LYS A 40 -5.166 -20.225 2.724 1.00 22.43 C ATOM 643 CE LYS A 40 -4.333 -21.450 2.299 1.00 15.31 C ATOM 644 NZ LYS A 40 -4.912 -22.734 2.789 1.00 71.45 N ATOM 0 H LYS A 40 -3.700 -17.816 5.177 1.00 2.32 H new ATOM 0 HA LYS A 40 -5.638 -17.493 3.007 1.00 43.25 H new ATOM 0 HB2 LYS A 40 -6.004 -18.700 5.777 1.00 12.33 H new ATOM 0 HB3 LYS A 40 -7.065 -18.891 4.396 1.00 12.33 H new ATOM 0 HG2 LYS A 40 -4.231 -19.998 4.671 1.00 74.21 H new ATOM 0 HG3 LYS A 40 -5.719 -20.924 4.705 1.00 74.21 H new ATOM 0 HD2 LYS A 40 -6.176 -20.323 2.325 1.00 22.43 H new ATOM 0 HD3 LYS A 40 -4.734 -19.328 2.281 1.00 22.43 H new ATOM 0 HE2 LYS A 40 -4.264 -21.478 1.212 1.00 15.31 H new ATOM 0 HE3 LYS A 40 -3.317 -21.344 2.680 1.00 15.31 H new ATOM 0 HZ1 LYS A 40 -4.324 -23.527 2.462 1.00 71.45 H new ATOM 0 HZ2 LYS A 40 -4.939 -22.728 3.829 1.00 71.45 H new ATOM 0 HZ3 LYS A 40 -5.878 -22.843 2.418 1.00 71.45 H new ATOM 658 N ARG A 41 -5.896 -15.863 5.909 1.00 72.31 N ATOM 659 CA ARG A 41 -6.409 -14.632 6.570 1.00 70.11 C ATOM 660 C ARG A 41 -5.903 -13.386 5.818 1.00 73.11 C ATOM 661 O ARG A 41 -6.613 -12.380 5.688 1.00 20.42 O ATOM 662 CB ARG A 41 -5.954 -14.604 8.058 1.00 4.12 C ATOM 663 CG ARG A 41 -6.588 -15.705 8.940 1.00 55.14 C ATOM 664 CD ARG A 41 -5.990 -15.757 10.361 1.00 31.44 C ATOM 665 NE ARG A 41 -6.003 -14.444 11.037 1.00 64.50 N ATOM 666 CZ ARG A 41 -6.806 -14.088 12.060 1.00 42.30 C ATOM 667 NH1 ARG A 41 -7.713 -14.930 12.556 1.00 63.11 N ATOM 668 NH2 ARG A 41 -6.686 -12.875 12.580 1.00 54.22 N ATOM 0 H ARG A 41 -5.275 -16.413 6.502 1.00 72.31 H new ATOM 0 HA ARG A 41 -7.499 -14.632 6.543 1.00 70.11 H new ATOM 0 HB2 ARG A 41 -4.869 -14.705 8.096 1.00 4.12 H new ATOM 0 HB3 ARG A 41 -6.198 -13.630 8.482 1.00 4.12 H new ATOM 0 HG2 ARG A 41 -7.662 -15.533 9.010 1.00 55.14 H new ATOM 0 HG3 ARG A 41 -6.451 -16.673 8.458 1.00 55.14 H new ATOM 0 HD2 ARG A 41 -6.551 -16.474 10.960 1.00 31.44 H new ATOM 0 HD3 ARG A 41 -4.964 -16.121 10.305 1.00 31.44 H new ATOM 0 HE ARG A 41 -5.344 -13.742 10.699 1.00 64.50 H new ATOM 0 HH11 ARG A 41 -7.810 -15.865 12.161 1.00 63.11 H new ATOM 0 HH12 ARG A 41 -8.310 -14.639 13.330 1.00 63.11 H new ATOM 0 HH21 ARG A 41 -5.994 -12.226 12.206 1.00 54.22 H new ATOM 0 HH22 ARG A 41 -7.286 -12.590 13.354 1.00 54.22 H new ATOM 682 N LEU A 42 -4.659 -13.507 5.327 1.00 21.13 N ATOM 683 CA LEU A 42 -4.015 -12.565 4.410 1.00 54.04 C ATOM 684 C LEU A 42 -4.855 -12.374 3.147 1.00 13.51 C ATOM 685 O LEU A 42 -5.252 -11.253 2.830 1.00 50.35 O ATOM 686 CB LEU A 42 -2.609 -13.112 4.037 1.00 50.21 C ATOM 687 CG LEU A 42 -1.776 -12.314 2.994 1.00 32.54 C ATOM 688 CD1 LEU A 42 -1.599 -10.873 3.441 1.00 3.15 C ATOM 689 CD2 LEU A 42 -0.407 -12.981 2.730 1.00 32.50 C ATOM 0 H LEU A 42 -4.056 -14.293 5.569 1.00 21.13 H new ATOM 0 HA LEU A 42 -3.921 -11.596 4.900 1.00 54.04 H new ATOM 0 HB2 LEU A 42 -2.022 -13.181 4.953 1.00 50.21 H new ATOM 0 HB3 LEU A 42 -2.733 -14.127 3.661 1.00 50.21 H new ATOM 0 HG LEU A 42 -2.328 -12.319 2.054 1.00 32.54 H new ATOM 0 HD11 LEU A 42 -1.014 -10.331 2.698 1.00 3.15 H new ATOM 0 HD12 LEU A 42 -2.576 -10.402 3.547 1.00 3.15 H new ATOM 0 HD13 LEU A 42 -1.080 -10.850 4.399 1.00 3.15 H new ATOM 0 HD21 LEU A 42 0.147 -12.396 1.996 1.00 32.50 H new ATOM 0 HD22 LEU A 42 0.160 -13.028 3.660 1.00 32.50 H new ATOM 0 HD23 LEU A 42 -0.562 -13.990 2.348 1.00 32.50 H new ATOM 701 N GLU A 43 -5.140 -13.497 2.464 1.00 13.52 N ATOM 702 CA GLU A 43 -5.803 -13.503 1.151 1.00 11.01 C ATOM 703 C GLU A 43 -7.198 -12.858 1.243 1.00 74.25 C ATOM 704 O GLU A 43 -7.625 -12.167 0.320 1.00 34.11 O ATOM 705 CB GLU A 43 -5.897 -14.963 0.610 1.00 25.22 C ATOM 706 CG GLU A 43 -5.781 -15.101 -0.918 1.00 0.41 C ATOM 707 CD GLU A 43 -4.380 -14.734 -1.452 1.00 21.02 C ATOM 708 OE1 GLU A 43 -3.419 -15.508 -1.208 1.00 72.34 O ATOM 709 OE2 GLU A 43 -4.227 -13.682 -2.114 1.00 34.52 O ATOM 0 H GLU A 43 -4.915 -14.430 2.810 1.00 13.52 H new ATOM 0 HA GLU A 43 -5.209 -12.912 0.454 1.00 11.01 H new ATOM 0 HB2 GLU A 43 -5.110 -15.557 1.074 1.00 25.22 H new ATOM 0 HB3 GLU A 43 -6.848 -15.391 0.927 1.00 25.22 H new ATOM 0 HG2 GLU A 43 -6.015 -16.126 -1.204 1.00 0.41 H new ATOM 0 HG3 GLU A 43 -6.524 -14.460 -1.393 1.00 0.41 H new ATOM 716 N GLU A 44 -7.873 -13.078 2.388 1.00 25.43 N ATOM 717 CA GLU A 44 -9.193 -12.502 2.673 1.00 41.02 C ATOM 718 C GLU A 44 -9.098 -10.974 2.865 1.00 23.14 C ATOM 719 O GLU A 44 -9.896 -10.227 2.295 1.00 44.14 O ATOM 720 CB GLU A 44 -9.806 -13.163 3.937 1.00 12.20 C ATOM 721 CG GLU A 44 -10.279 -14.618 3.752 1.00 60.12 C ATOM 722 CD GLU A 44 -11.416 -14.760 2.721 1.00 73.02 C ATOM 723 OE1 GLU A 44 -12.501 -14.184 2.939 1.00 25.21 O ATOM 724 OE2 GLU A 44 -11.243 -15.442 1.697 1.00 5.52 O ATOM 0 H GLU A 44 -7.513 -13.663 3.142 1.00 25.43 H new ATOM 0 HA GLU A 44 -9.842 -12.699 1.820 1.00 41.02 H new ATOM 0 HB2 GLU A 44 -9.065 -13.137 4.736 1.00 12.20 H new ATOM 0 HB3 GLU A 44 -10.653 -12.562 4.268 1.00 12.20 H new ATOM 0 HG2 GLU A 44 -9.434 -15.231 3.438 1.00 60.12 H new ATOM 0 HG3 GLU A 44 -10.617 -15.008 4.712 1.00 60.12 H new ATOM 731 N LYS A 45 -8.106 -10.535 3.676 1.00 64.12 N ATOM 732 CA LYS A 45 -7.875 -9.109 4.014 1.00 45.20 C ATOM 733 C LYS A 45 -7.663 -8.279 2.725 1.00 60.10 C ATOM 734 O LYS A 45 -8.172 -7.156 2.585 1.00 42.53 O ATOM 735 CB LYS A 45 -6.634 -8.998 4.967 1.00 0.21 C ATOM 736 CG LYS A 45 -6.736 -7.878 6.020 1.00 51.43 C ATOM 737 CD LYS A 45 -7.904 -8.134 7.000 1.00 2.10 C ATOM 738 CE LYS A 45 -7.988 -7.095 8.125 1.00 42.44 C ATOM 739 NZ LYS A 45 -8.205 -5.721 7.610 1.00 31.12 N ATOM 0 H LYS A 45 -7.437 -11.166 4.118 1.00 64.12 H new ATOM 0 HA LYS A 45 -8.749 -8.708 4.527 1.00 45.20 H new ATOM 0 HB2 LYS A 45 -6.499 -9.950 5.480 1.00 0.21 H new ATOM 0 HB3 LYS A 45 -5.742 -8.832 4.363 1.00 0.21 H new ATOM 0 HG2 LYS A 45 -5.800 -7.811 6.575 1.00 51.43 H new ATOM 0 HG3 LYS A 45 -6.880 -6.919 5.522 1.00 51.43 H new ATOM 0 HD2 LYS A 45 -8.842 -8.135 6.445 1.00 2.10 H new ATOM 0 HD3 LYS A 45 -7.792 -9.126 7.438 1.00 2.10 H new ATOM 0 HE2 LYS A 45 -8.801 -7.360 8.800 1.00 42.44 H new ATOM 0 HE3 LYS A 45 -7.068 -7.120 8.709 1.00 42.44 H new ATOM 0 HZ1 LYS A 45 -7.442 -5.100 7.946 1.00 31.12 H new ATOM 0 HZ2 LYS A 45 -8.206 -5.736 6.570 1.00 31.12 H new ATOM 0 HZ3 LYS A 45 -9.119 -5.362 7.952 1.00 31.12 H new ATOM 753 N ILE A 46 -6.918 -8.906 1.792 1.00 20.53 N ATOM 754 CA ILE A 46 -6.656 -8.391 0.442 1.00 75.53 C ATOM 755 C ILE A 46 -7.977 -8.133 -0.296 1.00 71.10 C ATOM 756 O ILE A 46 -8.225 -7.006 -0.718 1.00 34.35 O ATOM 757 CB ILE A 46 -5.764 -9.412 -0.370 1.00 21.21 C ATOM 758 CG1 ILE A 46 -4.371 -9.574 0.314 1.00 63.13 C ATOM 759 CG2 ILE A 46 -5.607 -9.013 -1.861 1.00 23.01 C ATOM 760 CD1 ILE A 46 -3.519 -10.695 -0.238 1.00 74.14 C ATOM 0 H ILE A 46 -6.473 -9.807 1.966 1.00 20.53 H new ATOM 0 HA ILE A 46 -6.116 -7.448 0.528 1.00 75.53 H new ATOM 0 HB ILE A 46 -6.280 -10.372 -0.359 1.00 21.21 H new ATOM 0 HG12 ILE A 46 -3.822 -8.637 0.215 1.00 63.13 H new ATOM 0 HG13 ILE A 46 -4.523 -9.743 1.380 1.00 63.13 H new ATOM 0 HG21 ILE A 46 -4.985 -9.749 -2.371 1.00 23.01 H new ATOM 0 HG22 ILE A 46 -6.589 -8.978 -2.333 1.00 23.01 H new ATOM 0 HG23 ILE A 46 -5.137 -8.032 -1.928 1.00 23.01 H new ATOM 0 HD11 ILE A 46 -2.571 -10.730 0.299 1.00 74.14 H new ATOM 0 HD12 ILE A 46 -4.041 -11.644 -0.114 1.00 74.14 H new ATOM 0 HD13 ILE A 46 -3.330 -10.520 -1.297 1.00 74.14 H new ATOM 772 N GLN A 47 -8.844 -9.177 -0.372 1.00 41.41 N ATOM 773 CA GLN A 47 -10.108 -9.119 -1.145 1.00 35.33 C ATOM 774 C GLN A 47 -11.037 -8.020 -0.600 1.00 31.15 C ATOM 775 O GLN A 47 -11.770 -7.397 -1.363 1.00 14.33 O ATOM 776 CB GLN A 47 -10.883 -10.473 -1.126 1.00 41.24 C ATOM 777 CG GLN A 47 -10.086 -11.726 -1.537 1.00 55.23 C ATOM 778 CD GLN A 47 -9.254 -11.557 -2.807 1.00 24.02 C ATOM 779 OE1 GLN A 47 -9.740 -11.750 -3.923 1.00 71.43 O ATOM 780 NE2 GLN A 47 -7.976 -11.247 -2.645 1.00 1.34 N ATOM 0 H GLN A 47 -8.687 -10.070 0.095 1.00 41.41 H new ATOM 0 HA GLN A 47 -9.821 -8.896 -2.173 1.00 35.33 H new ATOM 0 HB2 GLN A 47 -11.271 -10.630 -0.120 1.00 41.24 H new ATOM 0 HB3 GLN A 47 -11.744 -10.383 -1.789 1.00 41.24 H new ATOM 0 HG2 GLN A 47 -9.423 -12.005 -0.718 1.00 55.23 H new ATOM 0 HG3 GLN A 47 -10.781 -12.553 -1.680 1.00 55.23 H new ATOM 0 HE21 GLN A 47 -7.603 -11.093 -1.708 1.00 1.34 H new ATOM 0 HE22 GLN A 47 -7.365 -11.162 -3.457 1.00 1.34 H new ATOM 789 N LYS A 48 -10.998 -7.806 0.735 1.00 52.23 N ATOM 790 CA LYS A 48 -11.860 -6.815 1.405 1.00 1.44 C ATOM 791 C LYS A 48 -11.433 -5.390 1.042 1.00 62.21 C ATOM 792 O LYS A 48 -12.285 -4.565 0.715 1.00 14.02 O ATOM 793 CB LYS A 48 -11.885 -7.031 2.946 1.00 74.44 C ATOM 794 CG LYS A 48 -12.326 -8.457 3.366 1.00 30.32 C ATOM 795 CD LYS A 48 -13.642 -8.924 2.683 1.00 31.55 C ATOM 796 CE LYS A 48 -13.919 -10.430 2.867 1.00 1.53 C ATOM 797 NZ LYS A 48 -14.188 -10.793 4.282 1.00 24.41 N ATOM 0 H LYS A 48 -10.376 -8.309 1.368 1.00 52.23 H new ATOM 0 HA LYS A 48 -12.879 -6.959 1.046 1.00 1.44 H new ATOM 0 HB2 LYS A 48 -10.891 -6.834 3.348 1.00 74.44 H new ATOM 0 HB3 LYS A 48 -12.561 -6.304 3.396 1.00 74.44 H new ATOM 0 HG2 LYS A 48 -11.530 -9.161 3.124 1.00 30.32 H new ATOM 0 HG3 LYS A 48 -12.457 -8.485 4.448 1.00 30.32 H new ATOM 0 HD2 LYS A 48 -14.477 -8.355 3.091 1.00 31.55 H new ATOM 0 HD3 LYS A 48 -13.591 -8.698 1.618 1.00 31.55 H new ATOM 0 HE2 LYS A 48 -14.774 -10.716 2.254 1.00 1.53 H new ATOM 0 HE3 LYS A 48 -13.063 -11.000 2.506 1.00 1.53 H new ATOM 0 HZ1 LYS A 48 -14.368 -11.815 4.350 1.00 24.41 H new ATOM 0 HZ2 LYS A 48 -13.364 -10.547 4.866 1.00 24.41 H new ATOM 0 HZ3 LYS A 48 -15.021 -10.272 4.622 1.00 24.41 H new ATOM 811 N LEU A 49 -10.109 -5.124 1.070 1.00 31.30 N ATOM 812 CA LEU A 49 -9.560 -3.817 0.648 1.00 31.54 C ATOM 813 C LEU A 49 -9.747 -3.585 -0.870 1.00 54.03 C ATOM 814 O LEU A 49 -9.932 -2.445 -1.292 1.00 54.12 O ATOM 815 CB LEU A 49 -8.061 -3.669 1.017 1.00 12.43 C ATOM 816 CG LEU A 49 -7.701 -3.474 2.517 1.00 14.54 C ATOM 817 CD1 LEU A 49 -6.177 -3.325 2.691 1.00 51.22 C ATOM 818 CD2 LEU A 49 -8.446 -2.271 3.133 1.00 44.03 C ATOM 0 H LEU A 49 -9.404 -5.793 1.379 1.00 31.30 H new ATOM 0 HA LEU A 49 -10.124 -3.059 1.192 1.00 31.54 H new ATOM 0 HB2 LEU A 49 -7.539 -4.556 0.660 1.00 12.43 H new ATOM 0 HB3 LEU A 49 -7.662 -2.819 0.463 1.00 12.43 H new ATOM 0 HG LEU A 49 -8.027 -4.365 3.054 1.00 14.54 H new ATOM 0 HD11 LEU A 49 -5.943 -3.189 3.747 1.00 51.22 H new ATOM 0 HD12 LEU A 49 -5.679 -4.221 2.321 1.00 51.22 H new ATOM 0 HD13 LEU A 49 -5.830 -2.459 2.128 1.00 51.22 H new ATOM 0 HD21 LEU A 49 -8.167 -2.169 4.182 1.00 44.03 H new ATOM 0 HD22 LEU A 49 -8.176 -1.362 2.595 1.00 44.03 H new ATOM 0 HD23 LEU A 49 -9.521 -2.432 3.057 1.00 44.03 H new ATOM 830 N LYS A 50 -9.690 -4.659 -1.690 1.00 71.13 N ATOM 831 CA LYS A 50 -9.905 -4.554 -3.151 1.00 30.13 C ATOM 832 C LYS A 50 -11.380 -4.258 -3.465 1.00 44.00 C ATOM 833 O LYS A 50 -11.690 -3.550 -4.429 1.00 3.43 O ATOM 834 CB LYS A 50 -9.401 -5.828 -3.889 1.00 23.55 C ATOM 835 CG LYS A 50 -7.878 -6.082 -3.717 1.00 23.40 C ATOM 836 CD LYS A 50 -7.262 -7.038 -4.768 1.00 33.41 C ATOM 837 CE LYS A 50 -7.272 -6.438 -6.182 1.00 24.15 C ATOM 838 NZ LYS A 50 -6.508 -7.266 -7.155 1.00 23.34 N ATOM 0 H LYS A 50 -9.497 -5.607 -1.365 1.00 71.13 H new ATOM 0 HA LYS A 50 -9.315 -3.716 -3.522 1.00 30.13 H new ATOM 0 HB2 LYS A 50 -9.950 -6.694 -3.519 1.00 23.55 H new ATOM 0 HB3 LYS A 50 -9.628 -5.737 -4.951 1.00 23.55 H new ATOM 0 HG2 LYS A 50 -7.356 -5.126 -3.764 1.00 23.40 H new ATOM 0 HG3 LYS A 50 -7.701 -6.493 -2.723 1.00 23.40 H new ATOM 0 HD2 LYS A 50 -6.237 -7.274 -4.484 1.00 33.41 H new ATOM 0 HD3 LYS A 50 -7.816 -7.977 -4.771 1.00 33.41 H new ATOM 0 HE2 LYS A 50 -8.302 -6.338 -6.524 1.00 24.15 H new ATOM 0 HE3 LYS A 50 -6.848 -5.434 -6.151 1.00 24.15 H new ATOM 0 HZ1 LYS A 50 -5.647 -6.758 -7.442 1.00 23.34 H new ATOM 0 HZ2 LYS A 50 -6.246 -8.169 -6.711 1.00 23.34 H new ATOM 0 HZ3 LYS A 50 -7.097 -7.450 -7.992 1.00 23.34 H new ATOM 852 N SER A 51 -12.279 -4.792 -2.623 1.00 43.31 N ATOM 853 CA SER A 51 -13.717 -4.474 -2.658 1.00 72.00 C ATOM 854 C SER A 51 -13.967 -3.011 -2.204 1.00 42.35 C ATOM 855 O SER A 51 -14.976 -2.402 -2.573 1.00 0.14 O ATOM 856 CB SER A 51 -14.492 -5.478 -1.769 1.00 13.00 C ATOM 857 OG SER A 51 -15.896 -5.293 -1.850 1.00 14.15 O ATOM 0 H SER A 51 -12.028 -5.460 -1.894 1.00 43.31 H new ATOM 0 HA SER A 51 -14.079 -4.564 -3.682 1.00 72.00 H new ATOM 0 HB2 SER A 51 -14.243 -6.495 -2.071 1.00 13.00 H new ATOM 0 HB3 SER A 51 -14.172 -5.366 -0.733 1.00 13.00 H new ATOM 0 HG SER A 51 -16.346 -5.947 -1.276 1.00 14.15 H new ATOM 863 N GLN A 52 -13.035 -2.470 -1.387 1.00 32.44 N ATOM 864 CA GLN A 52 -13.016 -1.043 -0.993 1.00 70.23 C ATOM 865 C GLN A 52 -12.360 -0.164 -2.089 1.00 75.13 C ATOM 866 O GLN A 52 -12.470 1.066 -2.048 1.00 4.22 O ATOM 867 CB GLN A 52 -12.274 -0.872 0.360 1.00 10.44 C ATOM 868 CG GLN A 52 -12.952 -1.579 1.553 1.00 75.00 C ATOM 869 CD GLN A 52 -12.150 -1.529 2.858 1.00 54.32 C ATOM 870 OE1 GLN A 52 -11.426 -0.448 3.100 1.00 21.33 O flip ATOM 871 NE2 GLN A 52 -12.210 -2.458 3.671 1.00 71.34 N flip ATOM 0 H GLN A 52 -12.273 -3.013 -0.981 1.00 32.44 H new ATOM 0 HA GLN A 52 -14.047 -0.710 -0.875 1.00 70.23 H new ATOM 0 HB2 GLN A 52 -11.259 -1.256 0.255 1.00 10.44 H new ATOM 0 HB3 GLN A 52 -12.191 0.192 0.583 1.00 10.44 H new ATOM 0 HG2 GLN A 52 -13.928 -1.124 1.723 1.00 75.00 H new ATOM 0 HG3 GLN A 52 -13.129 -2.622 1.289 1.00 75.00 H new ATOM 0 HE21 GLN A 52 -12.775 -3.282 3.463 1.00 71.34 H new ATOM 0 HE22 GLN A 52 -11.695 -2.401 4.550 1.00 71.34 H new ATOM 880 N GLY A 53 -11.661 -0.804 -3.046 1.00 75.11 N ATOM 881 CA GLY A 53 -11.126 -0.124 -4.240 1.00 22.02 C ATOM 882 C GLY A 53 -9.611 0.048 -4.238 1.00 23.01 C ATOM 883 O GLY A 53 -9.063 0.671 -5.154 1.00 13.31 O ATOM 0 H GLY A 53 -11.452 -1.802 -3.013 1.00 75.11 H new ATOM 0 HA2 GLY A 53 -11.415 -0.690 -5.126 1.00 22.02 H new ATOM 0 HA3 GLY A 53 -11.591 0.858 -4.324 1.00 22.02 H new ATOM 887 N PHE A 54 -8.936 -0.466 -3.204 1.00 14.24 N ATOM 888 CA PHE A 54 -7.460 -0.468 -3.125 1.00 12.43 C ATOM 889 C PHE A 54 -6.898 -1.612 -3.978 1.00 63.25 C ATOM 890 O PHE A 54 -7.390 -2.738 -3.889 1.00 71.15 O ATOM 891 CB PHE A 54 -6.997 -0.643 -1.657 1.00 25.45 C ATOM 892 CG PHE A 54 -7.533 0.425 -0.715 1.00 41.25 C ATOM 893 CD1 PHE A 54 -7.074 1.734 -0.797 1.00 2.14 C ATOM 894 CD2 PHE A 54 -8.510 0.128 0.236 1.00 4.12 C ATOM 895 CE1 PHE A 54 -7.566 2.706 0.042 1.00 55.12 C ATOM 896 CE2 PHE A 54 -9.000 1.103 1.076 1.00 13.20 C ATOM 897 CZ PHE A 54 -8.530 2.393 0.976 1.00 21.32 C ATOM 0 H PHE A 54 -9.391 -0.893 -2.397 1.00 14.24 H new ATOM 0 HA PHE A 54 -7.089 0.486 -3.501 1.00 12.43 H new ATOM 0 HB2 PHE A 54 -7.314 -1.623 -1.300 1.00 25.45 H new ATOM 0 HB3 PHE A 54 -5.908 -0.630 -1.625 1.00 25.45 H new ATOM 0 HD1 PHE A 54 -6.322 1.991 -1.528 1.00 2.14 H new ATOM 0 HD2 PHE A 54 -8.887 -0.881 0.314 1.00 4.12 H new ATOM 0 HE1 PHE A 54 -7.196 3.718 -0.031 1.00 55.12 H new ATOM 0 HE2 PHE A 54 -9.751 0.856 1.812 1.00 13.20 H new ATOM 0 HZ PHE A 54 -8.917 3.160 1.630 1.00 21.32 H new ATOM 907 N GLU A 55 -5.874 -1.332 -4.802 1.00 33.15 N ATOM 908 CA GLU A 55 -5.213 -2.374 -5.602 1.00 13.25 C ATOM 909 C GLU A 55 -4.179 -3.111 -4.723 1.00 61.42 C ATOM 910 O GLU A 55 -3.015 -2.719 -4.629 1.00 4.52 O ATOM 911 CB GLU A 55 -4.582 -1.770 -6.888 1.00 43.13 C ATOM 912 CG GLU A 55 -3.833 -2.792 -7.785 1.00 31.14 C ATOM 913 CD GLU A 55 -4.632 -4.081 -8.075 1.00 55.33 C ATOM 914 OE1 GLU A 55 -5.583 -4.034 -8.883 1.00 54.03 O ATOM 915 OE2 GLU A 55 -4.309 -5.150 -7.498 1.00 10.43 O ATOM 0 H GLU A 55 -5.488 -0.397 -4.930 1.00 33.15 H new ATOM 0 HA GLU A 55 -5.950 -3.103 -5.939 1.00 13.25 H new ATOM 0 HB2 GLU A 55 -5.370 -1.300 -7.476 1.00 43.13 H new ATOM 0 HB3 GLU A 55 -3.886 -0.982 -6.599 1.00 43.13 H new ATOM 0 HG2 GLU A 55 -3.581 -2.313 -8.731 1.00 31.14 H new ATOM 0 HG3 GLU A 55 -2.893 -3.061 -7.304 1.00 31.14 H new ATOM 922 N VAL A 56 -4.647 -4.172 -4.045 1.00 0.12 N ATOM 923 CA VAL A 56 -3.839 -4.934 -3.071 1.00 41.02 C ATOM 924 C VAL A 56 -3.183 -6.153 -3.749 1.00 61.55 C ATOM 925 O VAL A 56 -3.764 -6.742 -4.667 1.00 13.32 O ATOM 926 CB VAL A 56 -4.704 -5.410 -1.848 1.00 0.43 C ATOM 927 CG1 VAL A 56 -3.816 -5.937 -0.692 1.00 5.42 C ATOM 928 CG2 VAL A 56 -5.637 -4.290 -1.366 1.00 42.15 C ATOM 0 H VAL A 56 -5.597 -4.528 -4.155 1.00 0.12 H new ATOM 0 HA VAL A 56 -3.062 -4.266 -2.700 1.00 41.02 H new ATOM 0 HB VAL A 56 -5.323 -6.241 -2.186 1.00 0.43 H new ATOM 0 HG11 VAL A 56 -4.449 -6.257 0.136 1.00 5.42 H new ATOM 0 HG12 VAL A 56 -3.224 -6.782 -1.044 1.00 5.42 H new ATOM 0 HG13 VAL A 56 -3.150 -5.143 -0.354 1.00 5.42 H new ATOM 0 HG21 VAL A 56 -6.224 -4.645 -0.519 1.00 42.15 H new ATOM 0 HG22 VAL A 56 -5.043 -3.428 -1.060 1.00 42.15 H new ATOM 0 HG23 VAL A 56 -6.306 -4.000 -2.176 1.00 42.15 H new ATOM 938 N ARG A 57 -1.975 -6.523 -3.280 1.00 14.03 N ATOM 939 CA ARG A 57 -1.217 -7.685 -3.781 1.00 4.43 C ATOM 940 C ARG A 57 -0.758 -8.533 -2.574 1.00 44.52 C ATOM 941 O ARG A 57 -0.518 -8.001 -1.464 1.00 5.54 O ATOM 942 CB ARG A 57 0.000 -7.209 -4.659 1.00 65.41 C ATOM 943 CG ARG A 57 0.278 -8.039 -5.943 1.00 63.53 C ATOM 944 CD ARG A 57 0.965 -9.398 -5.691 1.00 31.13 C ATOM 945 NE ARG A 57 2.365 -9.254 -5.239 1.00 45.40 N ATOM 946 CZ ARG A 57 3.288 -10.243 -5.261 1.00 73.22 C ATOM 947 NH1 ARG A 57 2.977 -11.460 -5.714 1.00 21.34 N ATOM 948 NH2 ARG A 57 4.515 -10.009 -4.819 1.00 74.03 N ATOM 0 H ARG A 57 -1.494 -6.018 -2.536 1.00 14.03 H new ATOM 0 HA ARG A 57 -1.849 -8.300 -4.421 1.00 4.43 H new ATOM 0 HB2 ARG A 57 -0.171 -6.172 -4.950 1.00 65.41 H new ATOM 0 HB3 ARG A 57 0.897 -7.223 -4.040 1.00 65.41 H new ATOM 0 HG2 ARG A 57 -0.666 -8.214 -6.459 1.00 63.53 H new ATOM 0 HG3 ARG A 57 0.903 -7.449 -6.613 1.00 63.53 H new ATOM 0 HD2 ARG A 57 0.401 -9.952 -4.941 1.00 31.13 H new ATOM 0 HD3 ARG A 57 0.942 -9.988 -6.607 1.00 31.13 H new ATOM 0 HE ARG A 57 2.656 -8.343 -4.885 1.00 45.40 H new ATOM 0 HH11 ARG A 57 2.033 -11.654 -6.049 1.00 21.34 H new ATOM 0 HH12 ARG A 57 3.683 -12.196 -5.725 1.00 21.34 H new ATOM 0 HH21 ARG A 57 4.761 -9.085 -4.463 1.00 74.03 H new ATOM 0 HH22 ARG A 57 5.213 -10.753 -4.834 1.00 74.03 H new ATOM 962 N LYS A 58 -0.661 -9.851 -2.803 1.00 55.45 N ATOM 963 CA LYS A 58 -0.212 -10.834 -1.812 1.00 4.12 C ATOM 964 C LYS A 58 1.308 -10.943 -1.904 1.00 61.25 C ATOM 965 O LYS A 58 1.837 -11.456 -2.891 1.00 62.23 O ATOM 966 CB LYS A 58 -0.912 -12.196 -2.108 1.00 52.25 C ATOM 967 CG LYS A 58 -0.776 -13.310 -1.029 1.00 55.23 C ATOM 968 CD LYS A 58 0.520 -14.156 -1.140 1.00 12.44 C ATOM 969 CE LYS A 58 0.486 -15.412 -0.249 1.00 24.42 C ATOM 970 NZ LYS A 58 -0.602 -16.353 -0.652 1.00 72.20 N ATOM 0 H LYS A 58 -0.898 -10.270 -3.702 1.00 55.45 H new ATOM 0 HA LYS A 58 -0.476 -10.534 -0.798 1.00 4.12 H new ATOM 0 HB2 LYS A 58 -1.973 -12.004 -2.265 1.00 52.25 H new ATOM 0 HB3 LYS A 58 -0.516 -12.583 -3.047 1.00 52.25 H new ATOM 0 HG2 LYS A 58 -0.811 -12.849 -0.042 1.00 55.23 H new ATOM 0 HG3 LYS A 58 -1.637 -13.975 -1.101 1.00 55.23 H new ATOM 0 HD2 LYS A 58 0.666 -14.455 -2.178 1.00 12.44 H new ATOM 0 HD3 LYS A 58 1.376 -13.541 -0.862 1.00 12.44 H new ATOM 0 HE2 LYS A 58 1.447 -15.923 -0.306 1.00 24.42 H new ATOM 0 HE3 LYS A 58 0.343 -15.116 0.790 1.00 24.42 H new ATOM 0 HZ1 LYS A 58 -0.468 -17.265 -0.171 1.00 72.20 H new ATOM 0 HZ2 LYS A 58 -1.524 -15.953 -0.385 1.00 72.20 H new ATOM 0 HZ3 LYS A 58 -0.573 -16.497 -1.682 1.00 72.20 H new ATOM 984 N VAL A 59 2.004 -10.474 -0.868 1.00 25.53 N ATOM 985 CA VAL A 59 3.478 -10.456 -0.823 1.00 23.14 C ATOM 986 C VAL A 59 3.948 -11.324 0.349 1.00 44.23 C ATOM 987 O VAL A 59 3.193 -11.541 1.313 1.00 72.13 O ATOM 988 CB VAL A 59 4.061 -8.996 -0.691 1.00 62.22 C ATOM 989 CG1 VAL A 59 3.806 -8.177 -1.975 1.00 53.45 C ATOM 990 CG2 VAL A 59 3.493 -8.271 0.553 1.00 73.34 C ATOM 0 H VAL A 59 1.565 -10.093 -0.030 1.00 25.53 H new ATOM 0 HA VAL A 59 3.851 -10.856 -1.766 1.00 23.14 H new ATOM 0 HB VAL A 59 5.139 -9.084 -0.558 1.00 62.22 H new ATOM 0 HG11 VAL A 59 4.218 -7.175 -1.855 1.00 53.45 H new ATOM 0 HG12 VAL A 59 4.286 -8.668 -2.821 1.00 53.45 H new ATOM 0 HG13 VAL A 59 2.733 -8.109 -2.156 1.00 53.45 H new ATOM 0 HG21 VAL A 59 3.915 -7.268 0.614 1.00 73.34 H new ATOM 0 HG22 VAL A 59 2.408 -8.204 0.471 1.00 73.34 H new ATOM 0 HG23 VAL A 59 3.755 -8.830 1.451 1.00 73.34 H new ATOM 1000 N LYS A 60 5.181 -11.831 0.251 1.00 43.52 N ATOM 1001 CA LYS A 60 5.785 -12.690 1.288 1.00 14.32 C ATOM 1002 C LYS A 60 6.497 -11.849 2.379 1.00 25.12 C ATOM 1003 O LYS A 60 6.303 -12.083 3.577 1.00 15.24 O ATOM 1004 CB LYS A 60 6.773 -13.713 0.638 1.00 65.03 C ATOM 1005 CG LYS A 60 7.858 -13.085 -0.273 1.00 31.21 C ATOM 1006 CD LYS A 60 8.982 -14.067 -0.680 1.00 71.14 C ATOM 1007 CE LYS A 60 8.483 -15.316 -1.425 1.00 21.15 C ATOM 1008 NZ LYS A 60 9.610 -16.232 -1.756 1.00 2.11 N ATOM 0 H LYS A 60 5.793 -11.661 -0.547 1.00 43.52 H new ATOM 0 HA LYS A 60 4.983 -13.243 1.776 1.00 14.32 H new ATOM 0 HB2 LYS A 60 7.266 -14.274 1.432 1.00 65.03 H new ATOM 0 HB3 LYS A 60 6.197 -14.429 0.052 1.00 65.03 H new ATOM 0 HG2 LYS A 60 7.382 -12.699 -1.175 1.00 31.21 H new ATOM 0 HG3 LYS A 60 8.302 -12.233 0.242 1.00 31.21 H new ATOM 0 HD2 LYS A 60 9.698 -13.542 -1.312 1.00 71.14 H new ATOM 0 HD3 LYS A 60 9.518 -14.381 0.216 1.00 71.14 H new ATOM 0 HE2 LYS A 60 7.752 -15.842 -0.810 1.00 21.15 H new ATOM 0 HE3 LYS A 60 7.973 -15.017 -2.341 1.00 21.15 H new ATOM 0 HZ1 LYS A 60 9.244 -17.066 -2.258 1.00 2.11 H new ATOM 0 HZ2 LYS A 60 10.294 -15.736 -2.362 1.00 2.11 H new ATOM 0 HZ3 LYS A 60 10.080 -16.535 -0.879 1.00 2.11 H new ATOM 1022 N ASP A 61 7.299 -10.851 1.950 1.00 0.34 N ATOM 1023 CA ASP A 61 8.252 -10.147 2.842 1.00 0.02 C ATOM 1024 C ASP A 61 8.730 -8.817 2.201 1.00 3.33 C ATOM 1025 O ASP A 61 8.538 -8.599 0.999 1.00 41.02 O ATOM 1026 CB ASP A 61 9.447 -11.110 3.153 1.00 3.20 C ATOM 1027 CG ASP A 61 10.548 -10.506 4.038 1.00 12.10 C ATOM 1028 OD1 ASP A 61 10.280 -10.258 5.225 1.00 5.24 O ATOM 1029 OD2 ASP A 61 11.655 -10.214 3.532 1.00 23.14 O ATOM 0 H ASP A 61 7.307 -10.512 0.988 1.00 0.34 H new ATOM 0 HA ASP A 61 7.761 -9.880 3.778 1.00 0.02 H new ATOM 0 HB2 ASP A 61 9.058 -12.004 3.641 1.00 3.20 H new ATOM 0 HB3 ASP A 61 9.892 -11.430 2.211 1.00 3.20 H new ATOM 1034 N ASP A 62 9.391 -7.951 3.016 1.00 14.21 N ATOM 1035 CA ASP A 62 9.817 -6.589 2.602 1.00 74.44 C ATOM 1036 C ASP A 62 10.967 -6.619 1.565 1.00 51.43 C ATOM 1037 O ASP A 62 11.204 -5.619 0.878 1.00 61.44 O ATOM 1038 CB ASP A 62 10.214 -5.736 3.833 1.00 64.25 C ATOM 1039 CG ASP A 62 11.427 -6.286 4.600 1.00 2.25 C ATOM 1040 OD1 ASP A 62 11.258 -7.272 5.349 1.00 54.03 O ATOM 1041 OD2 ASP A 62 12.551 -5.748 4.459 1.00 1.31 O ATOM 0 H ASP A 62 9.643 -8.179 3.978 1.00 14.21 H new ATOM 0 HA ASP A 62 8.959 -6.125 2.116 1.00 74.44 H new ATOM 0 HB2 ASP A 62 10.433 -4.720 3.505 1.00 64.25 H new ATOM 0 HB3 ASP A 62 9.363 -5.675 4.512 1.00 64.25 H new ATOM 1046 N ASP A 63 11.678 -7.763 1.483 1.00 15.31 N ATOM 1047 CA ASP A 63 12.690 -8.002 0.426 1.00 10.34 C ATOM 1048 C ASP A 63 11.997 -8.043 -0.951 1.00 71.42 C ATOM 1049 O ASP A 63 12.432 -7.379 -1.890 1.00 13.40 O ATOM 1050 CB ASP A 63 13.481 -9.315 0.678 1.00 14.22 C ATOM 1051 CG ASP A 63 14.589 -9.562 -0.371 1.00 23.13 C ATOM 1052 OD1 ASP A 63 14.320 -10.189 -1.427 1.00 63.11 O ATOM 1053 OD2 ASP A 63 15.733 -9.114 -0.155 1.00 55.51 O ATOM 0 H ASP A 63 11.571 -8.539 2.137 1.00 15.31 H new ATOM 0 HA ASP A 63 13.408 -7.182 0.447 1.00 10.34 H new ATOM 0 HB2 ASP A 63 13.930 -9.278 1.671 1.00 14.22 H new ATOM 0 HB3 ASP A 63 12.789 -10.157 0.672 1.00 14.22 H new ATOM 1058 N ASP A 64 10.891 -8.812 -1.032 1.00 22.00 N ATOM 1059 CA ASP A 64 10.065 -8.927 -2.252 1.00 61.20 C ATOM 1060 C ASP A 64 9.428 -7.573 -2.588 1.00 73.43 C ATOM 1061 O ASP A 64 9.334 -7.198 -3.750 1.00 33.30 O ATOM 1062 CB ASP A 64 8.947 -9.994 -2.058 1.00 74.54 C ATOM 1063 CG ASP A 64 8.006 -10.113 -3.279 1.00 3.25 C ATOM 1064 OD1 ASP A 64 8.397 -10.759 -4.271 1.00 41.13 O ATOM 1065 OD2 ASP A 64 6.867 -9.582 -3.243 1.00 61.14 O ATOM 0 H ASP A 64 10.545 -9.371 -0.252 1.00 22.00 H new ATOM 0 HA ASP A 64 10.711 -9.237 -3.074 1.00 61.20 H new ATOM 0 HB2 ASP A 64 9.407 -10.963 -1.865 1.00 74.54 H new ATOM 0 HB3 ASP A 64 8.359 -9.739 -1.176 1.00 74.54 H new ATOM 1070 N ILE A 65 9.014 -6.868 -1.528 1.00 34.24 N ATOM 1071 CA ILE A 65 8.344 -5.555 -1.601 1.00 12.01 C ATOM 1072 C ILE A 65 9.246 -4.479 -2.233 1.00 14.52 C ATOM 1073 O ILE A 65 8.781 -3.684 -3.056 1.00 22.04 O ATOM 1074 CB ILE A 65 7.865 -5.135 -0.160 1.00 54.40 C ATOM 1075 CG1 ILE A 65 6.689 -6.065 0.280 1.00 42.24 C ATOM 1076 CG2 ILE A 65 7.508 -3.633 -0.048 1.00 31.14 C ATOM 1077 CD1 ILE A 65 6.256 -5.924 1.718 1.00 11.33 C ATOM 0 H ILE A 65 9.137 -7.199 -0.571 1.00 34.24 H new ATOM 0 HA ILE A 65 7.476 -5.644 -2.254 1.00 12.01 H new ATOM 0 HB ILE A 65 8.699 -5.268 0.529 1.00 54.40 H new ATOM 0 HG12 ILE A 65 5.831 -5.865 -0.361 1.00 42.24 H new ATOM 0 HG13 ILE A 65 6.982 -7.100 0.106 1.00 42.24 H new ATOM 0 HG21 ILE A 65 7.186 -3.410 0.969 1.00 31.14 H new ATOM 0 HG22 ILE A 65 8.384 -3.032 -0.291 1.00 31.14 H new ATOM 0 HG23 ILE A 65 6.702 -3.398 -0.743 1.00 31.14 H new ATOM 0 HD11 ILE A 65 5.436 -6.613 1.920 1.00 11.33 H new ATOM 0 HD12 ILE A 65 7.094 -6.156 2.375 1.00 11.33 H new ATOM 0 HD13 ILE A 65 5.925 -4.902 1.900 1.00 11.33 H new ATOM 1089 N ASP A 66 10.529 -4.457 -1.844 1.00 24.12 N ATOM 1090 CA ASP A 66 11.529 -3.549 -2.438 1.00 14.13 C ATOM 1091 C ASP A 66 11.620 -3.754 -3.960 1.00 12.42 C ATOM 1092 O ASP A 66 11.631 -2.791 -4.731 1.00 72.23 O ATOM 1093 CB ASP A 66 12.916 -3.772 -1.792 1.00 15.51 C ATOM 1094 CG ASP A 66 14.000 -2.841 -2.377 1.00 13.10 C ATOM 1095 OD1 ASP A 66 14.079 -1.667 -1.951 1.00 63.22 O ATOM 1096 OD2 ASP A 66 14.758 -3.270 -3.281 1.00 43.22 O ATOM 0 H ASP A 66 10.904 -5.063 -1.114 1.00 24.12 H new ATOM 0 HA ASP A 66 11.210 -2.525 -2.244 1.00 14.13 H new ATOM 0 HB2 ASP A 66 12.843 -3.608 -0.717 1.00 15.51 H new ATOM 0 HB3 ASP A 66 13.217 -4.810 -1.936 1.00 15.51 H new ATOM 1101 N LYS A 67 11.636 -5.029 -4.356 1.00 51.24 N ATOM 1102 CA LYS A 67 11.722 -5.452 -5.765 1.00 25.11 C ATOM 1103 C LYS A 67 10.376 -5.219 -6.484 1.00 25.25 C ATOM 1104 O LYS A 67 10.348 -4.972 -7.694 1.00 73.20 O ATOM 1105 CB LYS A 67 12.168 -6.953 -5.841 1.00 23.15 C ATOM 1106 CG LYS A 67 13.641 -7.191 -6.266 1.00 10.21 C ATOM 1107 CD LYS A 67 14.696 -6.434 -5.421 1.00 35.12 C ATOM 1108 CE LYS A 67 14.644 -6.760 -3.921 1.00 70.34 C ATOM 1109 NZ LYS A 67 14.703 -8.223 -3.637 1.00 32.45 N ATOM 0 H LYS A 67 11.589 -5.811 -3.702 1.00 51.24 H new ATOM 0 HA LYS A 67 12.471 -4.849 -6.278 1.00 25.11 H new ATOM 0 HB2 LYS A 67 12.012 -7.410 -4.864 1.00 23.15 H new ATOM 0 HB3 LYS A 67 11.517 -7.472 -6.544 1.00 23.15 H new ATOM 0 HG2 LYS A 67 13.851 -8.259 -6.211 1.00 10.21 H new ATOM 0 HG3 LYS A 67 13.754 -6.897 -7.310 1.00 10.21 H new ATOM 0 HD2 LYS A 67 15.690 -6.673 -5.800 1.00 35.12 H new ATOM 0 HD3 LYS A 67 14.553 -5.362 -5.555 1.00 35.12 H new ATOM 0 HE2 LYS A 67 15.475 -6.265 -3.419 1.00 70.34 H new ATOM 0 HE3 LYS A 67 13.727 -6.351 -3.498 1.00 70.34 H new ATOM 0 HZ1 LYS A 67 15.371 -8.399 -2.860 1.00 32.45 H new ATOM 0 HZ2 LYS A 67 13.758 -8.562 -3.365 1.00 32.45 H new ATOM 0 HZ3 LYS A 67 15.021 -8.729 -4.488 1.00 32.45 H new ATOM 1123 N TRP A 68 9.274 -5.291 -5.707 1.00 34.32 N ATOM 1124 CA TRP A 68 7.904 -5.109 -6.204 1.00 2.35 C ATOM 1125 C TRP A 68 7.715 -3.658 -6.655 1.00 12.22 C ATOM 1126 O TRP A 68 7.222 -3.409 -7.740 1.00 73.54 O ATOM 1127 CB TRP A 68 6.868 -5.501 -5.105 1.00 72.31 C ATOM 1128 CG TRP A 68 5.465 -5.728 -5.619 1.00 32.15 C ATOM 1129 CD1 TRP A 68 4.926 -6.925 -5.998 1.00 62.55 C ATOM 1130 CD2 TRP A 68 4.428 -4.747 -5.813 1.00 20.20 C ATOM 1131 NE1 TRP A 68 3.632 -6.753 -6.413 1.00 2.31 N ATOM 1132 CE2 TRP A 68 3.305 -5.425 -6.311 1.00 44.05 C ATOM 1133 CE3 TRP A 68 4.343 -3.364 -5.609 1.00 3.43 C ATOM 1134 CZ2 TRP A 68 2.113 -4.768 -6.612 1.00 54.03 C ATOM 1135 CZ3 TRP A 68 3.164 -2.715 -5.908 1.00 33.04 C ATOM 1136 CH2 TRP A 68 2.061 -3.419 -6.402 1.00 1.33 C ATOM 0 H TRP A 68 9.317 -5.480 -4.706 1.00 34.32 H new ATOM 0 HA TRP A 68 7.738 -5.764 -7.060 1.00 2.35 H new ATOM 0 HB2 TRP A 68 7.211 -6.409 -4.608 1.00 72.31 H new ATOM 0 HB3 TRP A 68 6.842 -4.715 -4.351 1.00 72.31 H new ATOM 0 HD1 TRP A 68 5.446 -7.871 -5.974 1.00 62.55 H new ATOM 0 HE1 TRP A 68 3.012 -7.492 -6.744 1.00 2.31 H new ATOM 0 HE3 TRP A 68 5.189 -2.814 -5.223 1.00 3.43 H new ATOM 0 HZ2 TRP A 68 1.260 -5.307 -6.998 1.00 54.03 H new ATOM 0 HZ3 TRP A 68 3.091 -1.648 -5.759 1.00 33.04 H new ATOM 0 HH2 TRP A 68 1.149 -2.885 -6.622 1.00 1.33 H new ATOM 1147 N ILE A 69 8.167 -2.710 -5.822 1.00 2.32 N ATOM 1148 CA ILE A 69 8.090 -1.271 -6.139 1.00 31.22 C ATOM 1149 C ILE A 69 9.151 -0.917 -7.201 1.00 11.44 C ATOM 1150 O ILE A 69 8.904 -0.071 -8.066 1.00 12.01 O ATOM 1151 CB ILE A 69 8.224 -0.369 -4.838 1.00 13.05 C ATOM 1152 CG1 ILE A 69 6.865 -0.323 -4.051 1.00 10.53 C ATOM 1153 CG2 ILE A 69 8.727 1.070 -5.129 1.00 53.52 C ATOM 1154 CD1 ILE A 69 6.513 -1.581 -3.289 1.00 71.23 C ATOM 0 H ILE A 69 8.593 -2.913 -4.918 1.00 2.32 H new ATOM 0 HA ILE A 69 7.104 -1.058 -6.552 1.00 31.22 H new ATOM 0 HB ILE A 69 8.987 -0.844 -4.221 1.00 13.05 H new ATOM 0 HG12 ILE A 69 6.900 0.509 -3.348 1.00 10.53 H new ATOM 0 HG13 ILE A 69 6.063 -0.110 -4.757 1.00 10.53 H new ATOM 0 HG21 ILE A 69 8.794 1.628 -4.195 1.00 53.52 H new ATOM 0 HG22 ILE A 69 9.711 1.024 -5.596 1.00 53.52 H new ATOM 0 HG23 ILE A 69 8.030 1.570 -5.801 1.00 53.52 H new ATOM 0 HD11 ILE A 69 5.558 -1.444 -2.782 1.00 71.23 H new ATOM 0 HD12 ILE A 69 6.438 -2.418 -3.983 1.00 71.23 H new ATOM 0 HD13 ILE A 69 7.289 -1.789 -2.552 1.00 71.23 H new ATOM 1166 N ASP A 70 10.308 -1.625 -7.151 1.00 24.25 N ATOM 1167 CA ASP A 70 11.433 -1.427 -8.093 1.00 15.41 C ATOM 1168 C ASP A 70 10.969 -1.610 -9.544 1.00 32.10 C ATOM 1169 O ASP A 70 11.297 -0.796 -10.415 1.00 64.24 O ATOM 1170 CB ASP A 70 12.615 -2.377 -7.767 1.00 4.21 C ATOM 1171 CG ASP A 70 13.859 -2.131 -8.643 1.00 70.54 C ATOM 1172 OD1 ASP A 70 14.475 -1.051 -8.511 1.00 63.34 O ATOM 1173 OD2 ASP A 70 14.233 -3.013 -9.452 1.00 61.12 O ATOM 0 H ASP A 70 10.485 -2.349 -6.455 1.00 24.25 H new ATOM 0 HA ASP A 70 11.788 -0.403 -7.976 1.00 15.41 H new ATOM 0 HB2 ASP A 70 12.889 -2.257 -6.719 1.00 4.21 H new ATOM 0 HB3 ASP A 70 12.288 -3.409 -7.895 1.00 4.21 H new ATOM 1178 N LYS A 71 10.157 -2.654 -9.776 1.00 75.53 N ATOM 1179 CA LYS A 71 9.611 -2.937 -11.105 1.00 74.15 C ATOM 1180 C LYS A 71 8.450 -1.978 -11.444 1.00 64.12 C ATOM 1181 O LYS A 71 8.357 -1.556 -12.575 1.00 13.42 O ATOM 1182 CB LYS A 71 9.190 -4.426 -11.242 1.00 51.33 C ATOM 1183 CG LYS A 71 8.016 -4.879 -10.342 1.00 43.32 C ATOM 1184 CD LYS A 71 7.827 -6.419 -10.281 1.00 74.44 C ATOM 1185 CE LYS A 71 9.071 -7.148 -9.734 1.00 22.22 C ATOM 1186 NZ LYS A 71 8.818 -8.593 -9.478 1.00 14.41 N ATOM 0 H LYS A 71 9.866 -3.315 -9.056 1.00 75.53 H new ATOM 0 HA LYS A 71 10.402 -2.762 -11.834 1.00 74.15 H new ATOM 0 HB2 LYS A 71 8.920 -4.613 -12.281 1.00 51.33 H new ATOM 0 HB3 LYS A 71 10.055 -5.051 -11.020 1.00 51.33 H new ATOM 0 HG2 LYS A 71 8.179 -4.503 -9.332 1.00 43.32 H new ATOM 0 HG3 LYS A 71 7.095 -4.424 -10.707 1.00 43.32 H new ATOM 0 HD2 LYS A 71 6.968 -6.651 -9.651 1.00 74.44 H new ATOM 0 HD3 LYS A 71 7.601 -6.793 -11.279 1.00 74.44 H new ATOM 0 HE2 LYS A 71 9.890 -7.046 -10.446 1.00 22.22 H new ATOM 0 HE3 LYS A 71 9.391 -6.669 -8.809 1.00 22.22 H new ATOM 0 HZ1 LYS A 71 9.684 -9.037 -9.112 1.00 14.41 H new ATOM 0 HZ2 LYS A 71 8.055 -8.693 -8.779 1.00 14.41 H new ATOM 0 HZ3 LYS A 71 8.538 -9.059 -10.365 1.00 14.41 H new ATOM 1200 N ILE A 72 7.595 -1.604 -10.448 1.00 22.22 N ATOM 1201 CA ILE A 72 6.434 -0.694 -10.694 1.00 53.15 C ATOM 1202 C ILE A 72 6.911 0.684 -11.234 1.00 43.31 C ATOM 1203 O ILE A 72 6.289 1.249 -12.130 1.00 45.11 O ATOM 1204 CB ILE A 72 5.544 -0.489 -9.401 1.00 24.20 C ATOM 1205 CG1 ILE A 72 4.921 -1.833 -8.905 1.00 41.32 C ATOM 1206 CG2 ILE A 72 4.424 0.559 -9.630 1.00 60.13 C ATOM 1207 CD1 ILE A 72 3.865 -2.463 -9.795 1.00 42.42 C ATOM 0 H ILE A 72 7.685 -1.913 -9.480 1.00 22.22 H new ATOM 0 HA ILE A 72 5.814 -1.179 -11.448 1.00 53.15 H new ATOM 0 HB ILE A 72 6.213 -0.113 -8.627 1.00 24.20 H new ATOM 0 HG12 ILE A 72 5.728 -2.554 -8.772 1.00 41.32 H new ATOM 0 HG13 ILE A 72 4.481 -1.662 -7.923 1.00 41.32 H new ATOM 0 HG21 ILE A 72 3.837 0.669 -8.718 1.00 60.13 H new ATOM 0 HG22 ILE A 72 4.871 1.518 -9.892 1.00 60.13 H new ATOM 0 HG23 ILE A 72 3.776 0.227 -10.441 1.00 60.13 H new ATOM 0 HD11 ILE A 72 3.512 -3.389 -9.341 1.00 42.42 H new ATOM 0 HD12 ILE A 72 3.029 -1.774 -9.911 1.00 42.42 H new ATOM 0 HD13 ILE A 72 4.295 -2.679 -10.773 1.00 42.42 H new ATOM 1219 N LYS A 73 8.044 1.178 -10.691 1.00 64.41 N ATOM 1220 CA LYS A 73 8.672 2.450 -11.122 1.00 62.40 C ATOM 1221 C LYS A 73 9.222 2.338 -12.562 1.00 33.33 C ATOM 1222 O LYS A 73 9.198 3.305 -13.327 1.00 54.24 O ATOM 1223 CB LYS A 73 9.837 2.829 -10.162 1.00 1.33 C ATOM 1224 CG LYS A 73 9.435 3.023 -8.685 1.00 52.24 C ATOM 1225 CD LYS A 73 10.623 3.353 -7.737 1.00 54.42 C ATOM 1226 CE LYS A 73 11.552 2.155 -7.414 1.00 63.35 C ATOM 1227 NZ LYS A 73 12.396 1.713 -8.565 1.00 1.03 N ATOM 0 H LYS A 73 8.551 0.708 -9.941 1.00 64.41 H new ATOM 0 HA LYS A 73 7.905 3.224 -11.095 1.00 62.40 H new ATOM 0 HB2 LYS A 73 10.598 2.051 -10.215 1.00 1.33 H new ATOM 0 HB3 LYS A 73 10.297 3.750 -10.521 1.00 1.33 H new ATOM 0 HG2 LYS A 73 8.701 3.827 -8.623 1.00 52.24 H new ATOM 0 HG3 LYS A 73 8.945 2.116 -8.332 1.00 52.24 H new ATOM 0 HD2 LYS A 73 11.220 4.145 -8.188 1.00 54.42 H new ATOM 0 HD3 LYS A 73 10.224 3.747 -6.802 1.00 54.42 H new ATOM 0 HE2 LYS A 73 12.203 2.427 -6.583 1.00 63.35 H new ATOM 0 HE3 LYS A 73 10.942 1.315 -7.080 1.00 63.35 H new ATOM 0 HZ1 LYS A 73 13.258 1.253 -8.207 1.00 1.03 H new ATOM 0 HZ2 LYS A 73 11.861 1.039 -9.149 1.00 1.03 H new ATOM 0 HZ3 LYS A 73 12.658 2.539 -9.141 1.00 1.03 H new ATOM 1241 N LYS A 74 9.704 1.138 -12.889 1.00 70.15 N ATOM 1242 CA LYS A 74 10.447 0.841 -14.127 1.00 31.12 C ATOM 1243 C LYS A 74 9.466 0.609 -15.299 1.00 33.14 C ATOM 1244 O LYS A 74 9.715 1.023 -16.436 1.00 12.42 O ATOM 1245 CB LYS A 74 11.327 -0.414 -13.842 1.00 32.14 C ATOM 1246 CG LYS A 74 12.576 -0.596 -14.735 1.00 60.13 C ATOM 1247 CD LYS A 74 13.548 -1.676 -14.171 1.00 5.22 C ATOM 1248 CE LYS A 74 13.993 -1.374 -12.720 1.00 73.34 C ATOM 1249 NZ LYS A 74 14.963 -2.356 -12.180 1.00 13.43 N ATOM 0 H LYS A 74 9.589 0.321 -12.289 1.00 70.15 H new ATOM 0 HA LYS A 74 11.083 1.676 -14.420 1.00 31.12 H new ATOM 0 HB2 LYS A 74 11.653 -0.373 -12.803 1.00 32.14 H new ATOM 0 HB3 LYS A 74 10.701 -1.300 -13.945 1.00 32.14 H new ATOM 0 HG2 LYS A 74 12.264 -0.879 -15.740 1.00 60.13 H new ATOM 0 HG3 LYS A 74 13.102 0.355 -14.820 1.00 60.13 H new ATOM 0 HD2 LYS A 74 13.061 -2.651 -14.203 1.00 5.22 H new ATOM 0 HD3 LYS A 74 14.428 -1.738 -14.812 1.00 5.22 H new ATOM 0 HE2 LYS A 74 14.438 -0.380 -12.685 1.00 73.34 H new ATOM 0 HE3 LYS A 74 13.114 -1.353 -12.076 1.00 73.34 H new ATOM 0 HZ1 LYS A 74 14.705 -2.597 -11.202 1.00 13.43 H new ATOM 0 HZ2 LYS A 74 14.948 -3.216 -12.764 1.00 13.43 H new ATOM 0 HZ3 LYS A 74 15.918 -1.945 -12.195 1.00 13.43 H new ATOM 1263 N GLU A 75 8.333 -0.035 -14.975 1.00 42.53 N ATOM 1264 CA GLU A 75 7.241 -0.338 -15.914 1.00 52.44 C ATOM 1265 C GLU A 75 6.373 0.911 -16.124 1.00 12.04 C ATOM 1266 O GLU A 75 5.891 1.174 -17.229 1.00 24.13 O ATOM 1267 CB GLU A 75 6.371 -1.496 -15.350 1.00 11.21 C ATOM 1268 CG GLU A 75 7.129 -2.826 -15.122 1.00 32.40 C ATOM 1269 CD GLU A 75 6.331 -3.843 -14.282 1.00 33.32 C ATOM 1270 OE1 GLU A 75 6.041 -3.553 -13.103 1.00 31.33 O ATOM 1271 OE2 GLU A 75 5.976 -4.924 -14.790 1.00 54.50 O ATOM 0 H GLU A 75 8.147 -0.368 -14.029 1.00 42.53 H new ATOM 0 HA GLU A 75 7.665 -0.642 -16.871 1.00 52.44 H new ATOM 0 HB2 GLU A 75 5.935 -1.176 -14.404 1.00 11.21 H new ATOM 0 HB3 GLU A 75 5.544 -1.678 -16.037 1.00 11.21 H new ATOM 0 HG2 GLU A 75 7.368 -3.271 -16.088 1.00 32.40 H new ATOM 0 HG3 GLU A 75 8.076 -2.617 -14.624 1.00 32.40 H new ATOM 1278 N ARG A 76 6.197 1.679 -15.031 1.00 3.23 N ATOM 1279 CA ARG A 76 5.351 2.886 -14.990 1.00 62.25 C ATOM 1280 C ARG A 76 6.212 4.097 -14.551 1.00 72.42 C ATOM 1281 O ARG A 76 6.303 4.396 -13.348 1.00 13.42 O ATOM 1282 CB ARG A 76 4.172 2.668 -13.999 1.00 33.13 C ATOM 1283 CG ARG A 76 3.353 1.385 -14.235 1.00 62.33 C ATOM 1284 CD ARG A 76 2.476 1.004 -13.029 1.00 64.14 C ATOM 1285 NE ARG A 76 1.943 -0.369 -13.131 1.00 74.15 N ATOM 1286 CZ ARG A 76 2.679 -1.497 -13.050 1.00 13.34 C ATOM 1287 NH1 ARG A 76 4.000 -1.460 -12.870 1.00 24.32 N ATOM 1288 NH2 ARG A 76 2.070 -2.664 -13.147 1.00 24.45 N ATOM 0 H ARG A 76 6.646 1.474 -14.138 1.00 3.23 H new ATOM 0 HA ARG A 76 4.939 3.082 -15.980 1.00 62.25 H new ATOM 0 HB2 ARG A 76 4.569 2.646 -12.984 1.00 33.13 H new ATOM 0 HB3 ARG A 76 3.502 3.525 -14.061 1.00 33.13 H new ATOM 0 HG2 ARG A 76 2.718 1.521 -15.111 1.00 62.33 H new ATOM 0 HG3 ARG A 76 4.032 0.562 -14.458 1.00 62.33 H new ATOM 0 HD2 ARG A 76 3.061 1.096 -12.114 1.00 64.14 H new ATOM 0 HD3 ARG A 76 1.647 1.707 -12.949 1.00 64.14 H new ATOM 0 HE ARG A 76 0.938 -0.473 -13.274 1.00 74.15 H new ATOM 0 HH11 ARG A 76 4.479 -0.563 -12.790 1.00 24.32 H new ATOM 0 HH12 ARG A 76 4.531 -2.329 -12.812 1.00 24.32 H new ATOM 0 HH21 ARG A 76 1.060 -2.702 -13.281 1.00 24.45 H new ATOM 0 HH22 ARG A 76 2.610 -3.527 -13.088 1.00 24.45 H new ATOM 1302 N PRO A 77 6.910 4.782 -15.511 1.00 75.23 N ATOM 1303 CA PRO A 77 7.669 6.029 -15.220 1.00 52.23 C ATOM 1304 C PRO A 77 6.737 7.237 -14.957 1.00 22.22 C ATOM 1305 O PRO A 77 7.159 8.245 -14.384 1.00 52.01 O ATOM 1306 CB PRO A 77 8.536 6.242 -16.503 1.00 72.52 C ATOM 1307 CG PRO A 77 8.417 4.964 -17.290 1.00 13.13 C ATOM 1308 CD PRO A 77 7.056 4.404 -16.942 1.00 41.54 C ATOM 0 HA PRO A 77 8.267 5.945 -14.312 1.00 52.23 H new ATOM 0 HB2 PRO A 77 8.177 7.093 -17.082 1.00 72.52 H new ATOM 0 HB3 PRO A 77 9.575 6.448 -16.244 1.00 72.52 H new ATOM 0 HG2 PRO A 77 8.503 5.152 -18.360 1.00 13.13 H new ATOM 0 HG3 PRO A 77 9.209 4.264 -17.025 1.00 13.13 H new ATOM 0 HD2 PRO A 77 6.269 4.838 -17.559 1.00 41.54 H new ATOM 0 HD3 PRO A 77 7.013 3.324 -17.083 1.00 41.54 H new ATOM 1316 N GLN A 78 5.461 7.092 -15.359 1.00 44.54 N ATOM 1317 CA GLN A 78 4.477 8.194 -15.400 1.00 22.35 C ATOM 1318 C GLN A 78 3.831 8.475 -14.030 1.00 55.22 C ATOM 1319 O GLN A 78 3.078 9.440 -13.900 1.00 4.12 O ATOM 1320 CB GLN A 78 3.380 7.852 -16.441 1.00 34.11 C ATOM 1321 CG GLN A 78 3.924 7.424 -17.824 1.00 1.41 C ATOM 1322 CD GLN A 78 2.854 6.932 -18.810 1.00 14.33 C ATOM 1323 OE1 GLN A 78 1.793 6.314 -18.310 1.00 74.44 O flip ATOM 1324 NE2 GLN A 78 2.992 7.087 -20.024 1.00 54.55 N flip ATOM 0 H GLN A 78 5.078 6.198 -15.668 1.00 44.54 H new ATOM 0 HA GLN A 78 5.011 9.101 -15.684 1.00 22.35 H new ATOM 0 HB2 GLN A 78 2.757 7.050 -16.045 1.00 34.11 H new ATOM 0 HB3 GLN A 78 2.735 8.721 -16.571 1.00 34.11 H new ATOM 0 HG2 GLN A 78 4.449 8.269 -18.270 1.00 1.41 H new ATOM 0 HG3 GLN A 78 4.659 6.632 -17.681 1.00 1.41 H new ATOM 0 HE21 GLN A 78 3.817 7.566 -20.387 1.00 54.55 H new ATOM 0 HE22 GLN A 78 2.282 6.737 -20.667 1.00 54.55 H new ATOM 1333 N LEU A 79 4.108 7.627 -13.021 1.00 22.13 N ATOM 1334 CA LEU A 79 3.565 7.797 -11.663 1.00 64.11 C ATOM 1335 C LEU A 79 4.637 7.507 -10.597 1.00 25.03 C ATOM 1336 O LEU A 79 5.278 6.459 -10.627 1.00 42.31 O ATOM 1337 CB LEU A 79 2.254 6.948 -11.471 1.00 62.01 C ATOM 1338 CG LEU A 79 2.225 5.473 -12.032 1.00 63.41 C ATOM 1339 CD1 LEU A 79 2.998 4.476 -11.147 1.00 60.04 C ATOM 1340 CD2 LEU A 79 0.777 4.987 -12.256 1.00 24.24 C ATOM 0 H LEU A 79 4.711 6.811 -13.125 1.00 22.13 H new ATOM 0 HA LEU A 79 3.278 8.840 -11.530 1.00 64.11 H new ATOM 0 HB2 LEU A 79 2.043 6.901 -10.403 1.00 62.01 H new ATOM 0 HB3 LEU A 79 1.433 7.495 -11.934 1.00 62.01 H new ATOM 0 HG LEU A 79 2.737 5.506 -12.994 1.00 63.41 H new ATOM 0 HD11 LEU A 79 2.941 3.480 -11.586 1.00 60.04 H new ATOM 0 HD12 LEU A 79 4.042 4.783 -11.079 1.00 60.04 H new ATOM 0 HD13 LEU A 79 2.559 4.459 -10.149 1.00 60.04 H new ATOM 0 HD21 LEU A 79 0.791 3.968 -12.643 1.00 24.24 H new ATOM 0 HD22 LEU A 79 0.235 5.009 -11.310 1.00 24.24 H new ATOM 0 HD23 LEU A 79 0.281 5.641 -12.973 1.00 24.24 H new ATOM 1352 N GLU A 80 4.849 8.475 -9.681 1.00 24.11 N ATOM 1353 CA GLU A 80 5.816 8.351 -8.577 1.00 31.21 C ATOM 1354 C GLU A 80 5.307 7.296 -7.576 1.00 54.51 C ATOM 1355 O GLU A 80 4.160 7.355 -7.151 1.00 23.20 O ATOM 1356 CB GLU A 80 6.020 9.727 -7.865 1.00 54.32 C ATOM 1357 CG GLU A 80 6.213 10.938 -8.811 1.00 30.43 C ATOM 1358 CD GLU A 80 7.271 10.707 -9.907 1.00 31.32 C ATOM 1359 OE1 GLU A 80 8.484 10.673 -9.591 1.00 43.43 O ATOM 1360 OE2 GLU A 80 6.896 10.553 -11.095 1.00 74.00 O ATOM 0 H GLU A 80 4.352 9.366 -9.689 1.00 24.11 H new ATOM 0 HA GLU A 80 6.780 8.036 -8.977 1.00 31.21 H new ATOM 0 HB2 GLU A 80 5.157 9.919 -7.227 1.00 54.32 H new ATOM 0 HB3 GLU A 80 6.890 9.654 -7.212 1.00 54.32 H new ATOM 0 HG2 GLU A 80 5.259 11.174 -9.283 1.00 30.43 H new ATOM 0 HG3 GLU A 80 6.500 11.807 -8.219 1.00 30.43 H new ATOM 1367 N VAL A 81 6.166 6.338 -7.217 1.00 54.41 N ATOM 1368 CA VAL A 81 5.796 5.193 -6.357 1.00 73.23 C ATOM 1369 C VAL A 81 6.523 5.318 -5.004 1.00 52.42 C ATOM 1370 O VAL A 81 7.748 5.491 -4.974 1.00 4.10 O ATOM 1371 CB VAL A 81 6.157 3.828 -7.053 1.00 34.13 C ATOM 1372 CG1 VAL A 81 5.565 2.631 -6.279 1.00 23.50 C ATOM 1373 CG2 VAL A 81 5.704 3.818 -8.535 1.00 11.14 C ATOM 0 H VAL A 81 7.142 6.328 -7.512 1.00 54.41 H new ATOM 0 HA VAL A 81 4.719 5.206 -6.192 1.00 73.23 H new ATOM 0 HB VAL A 81 7.242 3.726 -7.038 1.00 34.13 H new ATOM 0 HG11 VAL A 81 5.832 1.703 -6.785 1.00 23.50 H new ATOM 0 HG12 VAL A 81 5.965 2.620 -5.265 1.00 23.50 H new ATOM 0 HG13 VAL A 81 4.480 2.724 -6.240 1.00 23.50 H new ATOM 0 HG21 VAL A 81 5.967 2.863 -8.989 1.00 11.14 H new ATOM 0 HG22 VAL A 81 4.624 3.960 -8.586 1.00 11.14 H new ATOM 0 HG23 VAL A 81 6.202 4.625 -9.073 1.00 11.14 H new ATOM 1383 N ARG A 82 5.756 5.257 -3.898 1.00 44.50 N ATOM 1384 CA ARG A 82 6.282 5.391 -2.518 1.00 74.10 C ATOM 1385 C ARG A 82 6.071 4.071 -1.746 1.00 72.11 C ATOM 1386 O ARG A 82 5.009 3.459 -1.871 1.00 23.52 O ATOM 1387 CB ARG A 82 5.540 6.552 -1.795 1.00 51.21 C ATOM 1388 CG ARG A 82 6.022 6.857 -0.355 1.00 23.45 C ATOM 1389 CD ARG A 82 7.436 7.465 -0.306 1.00 60.24 C ATOM 1390 NE ARG A 82 7.944 7.563 1.074 1.00 44.41 N ATOM 1391 CZ ARG A 82 7.977 8.677 1.827 1.00 43.31 C ATOM 1392 NH1 ARG A 82 7.531 9.840 1.365 1.00 1.52 N ATOM 1393 NH2 ARG A 82 8.485 8.610 3.047 1.00 35.30 N ATOM 0 H ARG A 82 4.747 5.113 -3.933 1.00 44.50 H new ATOM 0 HA ARG A 82 7.349 5.611 -2.556 1.00 74.10 H new ATOM 0 HB2 ARG A 82 5.646 7.456 -2.394 1.00 51.21 H new ATOM 0 HB3 ARG A 82 4.477 6.315 -1.761 1.00 51.21 H new ATOM 0 HG2 ARG A 82 5.321 7.545 0.118 1.00 23.45 H new ATOM 0 HG3 ARG A 82 6.009 5.936 0.229 1.00 23.45 H new ATOM 0 HD2 ARG A 82 8.115 6.854 -0.900 1.00 60.24 H new ATOM 0 HD3 ARG A 82 7.421 8.456 -0.759 1.00 60.24 H new ATOM 0 HE ARG A 82 8.304 6.707 1.497 1.00 44.41 H new ATOM 0 HH11 ARG A 82 7.153 9.902 0.420 1.00 1.52 H new ATOM 0 HH12 ARG A 82 7.567 10.671 1.956 1.00 1.52 H new ATOM 0 HH21 ARG A 82 8.843 7.724 3.402 1.00 35.30 H new ATOM 0 HH22 ARG A 82 8.518 9.445 3.632 1.00 35.30 H new ATOM 1407 N LYS A 83 7.082 3.638 -0.954 1.00 45.10 N ATOM 1408 CA LYS A 83 6.949 2.483 -0.038 1.00 0.12 C ATOM 1409 C LYS A 83 6.608 2.985 1.369 1.00 2.41 C ATOM 1410 O LYS A 83 7.303 3.853 1.908 1.00 53.11 O ATOM 1411 CB LYS A 83 8.239 1.625 0.040 1.00 1.22 C ATOM 1412 CG LYS A 83 8.722 1.052 -1.309 1.00 50.33 C ATOM 1413 CD LYS A 83 9.570 -0.238 -1.163 1.00 10.30 C ATOM 1414 CE LYS A 83 10.825 -0.057 -0.295 1.00 3.21 C ATOM 1415 NZ LYS A 83 11.774 0.931 -0.878 1.00 53.12 N ATOM 0 H LYS A 83 8.003 4.076 -0.933 1.00 45.10 H new ATOM 0 HA LYS A 83 6.154 1.852 -0.436 1.00 0.12 H new ATOM 0 HB2 LYS A 83 9.037 2.233 0.466 1.00 1.22 H new ATOM 0 HB3 LYS A 83 8.066 0.798 0.728 1.00 1.22 H new ATOM 0 HG2 LYS A 83 7.856 0.839 -1.936 1.00 50.33 H new ATOM 0 HG3 LYS A 83 9.312 1.809 -1.826 1.00 50.33 H new ATOM 0 HD2 LYS A 83 8.950 -1.023 -0.730 1.00 10.30 H new ATOM 0 HD3 LYS A 83 9.870 -0.579 -2.154 1.00 10.30 H new ATOM 0 HE2 LYS A 83 10.531 0.269 0.703 1.00 3.21 H new ATOM 0 HE3 LYS A 83 11.328 -1.017 -0.181 1.00 3.21 H new ATOM 0 HZ1 LYS A 83 12.605 1.021 -0.259 1.00 53.12 H new ATOM 0 HZ2 LYS A 83 12.076 0.608 -1.819 1.00 53.12 H new ATOM 0 HZ3 LYS A 83 11.304 1.855 -0.963 1.00 53.12 H new ATOM 1429 N VAL A 84 5.521 2.454 1.933 1.00 24.22 N ATOM 1430 CA VAL A 84 5.078 2.731 3.309 1.00 75.45 C ATOM 1431 C VAL A 84 5.112 1.436 4.129 1.00 72.54 C ATOM 1432 O VAL A 84 4.155 0.670 4.139 1.00 50.00 O ATOM 1433 CB VAL A 84 3.628 3.326 3.271 1.00 14.22 C ATOM 1434 CG1 VAL A 84 3.012 3.508 4.673 1.00 5.21 C ATOM 1435 CG2 VAL A 84 3.608 4.640 2.478 1.00 54.54 C ATOM 0 H VAL A 84 4.908 1.805 1.439 1.00 24.22 H new ATOM 0 HA VAL A 84 5.744 3.454 3.779 1.00 75.45 H new ATOM 0 HB VAL A 84 3.000 2.597 2.760 1.00 14.22 H new ATOM 0 HG11 VAL A 84 2.009 3.923 4.578 1.00 5.21 H new ATOM 0 HG12 VAL A 84 2.959 2.542 5.175 1.00 5.21 H new ATOM 0 HG13 VAL A 84 3.632 4.188 5.257 1.00 5.21 H new ATOM 0 HG21 VAL A 84 2.594 5.040 2.461 1.00 54.54 H new ATOM 0 HG22 VAL A 84 4.274 5.361 2.952 1.00 54.54 H new ATOM 0 HG23 VAL A 84 3.941 4.454 1.457 1.00 54.54 H new ATOM 1445 N THR A 85 6.230 1.182 4.798 1.00 53.30 N ATOM 1446 CA THR A 85 6.412 -0.046 5.588 1.00 24.24 C ATOM 1447 C THR A 85 5.863 0.135 7.020 1.00 70.20 C ATOM 1448 O THR A 85 5.461 -0.833 7.662 1.00 51.41 O ATOM 1449 CB THR A 85 7.919 -0.466 5.602 1.00 61.05 C ATOM 1450 OG1 THR A 85 8.730 0.631 6.062 1.00 71.21 O ATOM 1451 CG2 THR A 85 8.409 -0.905 4.205 1.00 0.32 C ATOM 0 H THR A 85 7.034 1.810 4.814 1.00 53.30 H new ATOM 0 HA THR A 85 5.843 -0.849 5.119 1.00 24.24 H new ATOM 0 HB THR A 85 8.013 -1.316 6.278 1.00 61.05 H new ATOM 0 HG1 THR A 85 8.524 0.819 7.002 1.00 71.21 H new ATOM 0 HG21 THR A 85 9.460 -1.188 4.260 1.00 0.32 H new ATOM 0 HG22 THR A 85 7.821 -1.757 3.864 1.00 0.32 H new ATOM 0 HG23 THR A 85 8.292 -0.080 3.503 1.00 0.32 H new ATOM 1459 N ASP A 86 5.815 1.399 7.488 1.00 11.42 N ATOM 1460 CA ASP A 86 5.406 1.755 8.870 1.00 14.41 C ATOM 1461 C ASP A 86 4.116 2.590 8.891 1.00 23.00 C ATOM 1462 O ASP A 86 3.730 3.194 7.889 1.00 1.45 O ATOM 1463 CB ASP A 86 6.538 2.551 9.567 1.00 64.04 C ATOM 1464 CG ASP A 86 7.836 1.746 9.723 1.00 22.34 C ATOM 1465 OD1 ASP A 86 8.002 1.048 10.743 1.00 64.32 O ATOM 1466 OD2 ASP A 86 8.691 1.797 8.816 1.00 11.45 O ATOM 0 H ASP A 86 6.059 2.209 6.918 1.00 11.42 H new ATOM 0 HA ASP A 86 5.216 0.823 9.403 1.00 14.41 H new ATOM 0 HB2 ASP A 86 6.745 3.454 8.993 1.00 64.04 H new ATOM 0 HB3 ASP A 86 6.196 2.871 10.551 1.00 64.04 H new ATOM 1471 N GLU A 87 3.460 2.597 10.065 1.00 11.12 N ATOM 1472 CA GLU A 87 2.268 3.418 10.354 1.00 71.05 C ATOM 1473 C GLU A 87 2.614 4.928 10.348 1.00 55.15 C ATOM 1474 O GLU A 87 1.840 5.745 9.828 1.00 64.23 O ATOM 1475 CB GLU A 87 1.673 2.941 11.719 1.00 54.31 C ATOM 1476 CG GLU A 87 0.266 3.466 12.091 1.00 21.43 C ATOM 1477 CD GLU A 87 0.249 4.908 12.629 1.00 55.52 C ATOM 1478 OE1 GLU A 87 0.849 5.159 13.696 1.00 44.14 O ATOM 1479 OE2 GLU A 87 -0.328 5.803 11.980 1.00 31.21 O ATOM 0 H GLU A 87 3.748 2.021 10.856 1.00 11.12 H new ATOM 0 HA GLU A 87 1.516 3.287 9.576 1.00 71.05 H new ATOM 0 HB2 GLU A 87 1.638 1.852 11.711 1.00 54.31 H new ATOM 0 HB3 GLU A 87 2.364 3.232 12.510 1.00 54.31 H new ATOM 0 HG2 GLU A 87 -0.374 3.412 11.210 1.00 21.43 H new ATOM 0 HG3 GLU A 87 -0.169 2.806 12.841 1.00 21.43 H new ATOM 1486 N ASP A 88 3.781 5.295 10.919 1.00 71.12 N ATOM 1487 CA ASP A 88 4.271 6.695 10.898 1.00 32.11 C ATOM 1488 C ASP A 88 4.566 7.155 9.454 1.00 34.44 C ATOM 1489 O ASP A 88 4.454 8.341 9.147 1.00 42.31 O ATOM 1490 CB ASP A 88 5.518 6.886 11.810 1.00 51.42 C ATOM 1491 CG ASP A 88 6.807 6.226 11.281 1.00 54.04 C ATOM 1492 OD1 ASP A 88 7.565 6.873 10.523 1.00 42.05 O ATOM 1493 OD2 ASP A 88 7.082 5.064 11.630 1.00 30.23 O ATOM 0 H ASP A 88 4.402 4.645 11.400 1.00 71.12 H new ATOM 0 HA ASP A 88 3.476 7.323 11.301 1.00 32.11 H new ATOM 0 HB2 ASP A 88 5.698 7.953 11.938 1.00 51.42 H new ATOM 0 HB3 ASP A 88 5.296 6.480 12.797 1.00 51.42 H new ATOM 1498 N GLN A 89 4.934 6.191 8.583 1.00 14.34 N ATOM 1499 CA GLN A 89 5.112 6.430 7.141 1.00 33.34 C ATOM 1500 C GLN A 89 3.754 6.633 6.444 1.00 14.50 C ATOM 1501 O GLN A 89 3.663 7.377 5.467 1.00 12.35 O ATOM 1502 CB GLN A 89 5.897 5.260 6.489 1.00 31.22 C ATOM 1503 CG GLN A 89 7.376 5.168 6.912 1.00 52.13 C ATOM 1504 CD GLN A 89 8.212 6.343 6.396 1.00 4.45 C ATOM 1505 OE1 GLN A 89 8.789 6.195 5.213 1.00 75.11 O flip ATOM 1506 NE2 GLN A 89 8.334 7.382 7.053 1.00 3.34 N flip ATOM 0 H GLN A 89 5.115 5.227 8.863 1.00 14.34 H new ATOM 0 HA GLN A 89 5.692 7.345 7.017 1.00 33.34 H new ATOM 0 HB2 GLN A 89 5.401 4.322 6.740 1.00 31.22 H new ATOM 0 HB3 GLN A 89 5.848 5.366 5.405 1.00 31.22 H new ATOM 0 HG2 GLN A 89 7.437 5.134 8.000 1.00 52.13 H new ATOM 0 HG3 GLN A 89 7.799 4.235 6.539 1.00 52.13 H new ATOM 0 HE21 GLN A 89 7.878 7.468 7.961 1.00 3.34 H new ATOM 0 HE22 GLN A 89 8.891 8.154 6.687 1.00 3.34 H new ATOM 1515 N ALA A 90 2.712 5.939 6.943 1.00 62.44 N ATOM 1516 CA ALA A 90 1.323 6.109 6.463 1.00 3.15 C ATOM 1517 C ALA A 90 0.731 7.478 6.867 1.00 2.44 C ATOM 1518 O ALA A 90 -0.226 7.957 6.247 1.00 64.03 O ATOM 1519 CB ALA A 90 0.447 4.941 6.939 1.00 12.22 C ATOM 0 H ALA A 90 2.807 5.247 7.687 1.00 62.44 H new ATOM 0 HA ALA A 90 1.341 6.096 5.373 1.00 3.15 H new ATOM 0 HB1 ALA A 90 -0.572 5.080 6.578 1.00 12.22 H new ATOM 0 HB2 ALA A 90 0.846 4.005 6.549 1.00 12.22 H new ATOM 0 HB3 ALA A 90 0.445 4.908 8.029 1.00 12.22 H new ATOM 1525 N LYS A 91 1.268 8.071 7.942 1.00 74.13 N ATOM 1526 CA LYS A 91 0.995 9.481 8.292 1.00 3.20 C ATOM 1527 C LYS A 91 1.954 10.465 7.585 1.00 13.34 C ATOM 1528 O LYS A 91 1.607 11.633 7.393 1.00 53.32 O ATOM 1529 CB LYS A 91 1.025 9.689 9.816 1.00 52.20 C ATOM 1530 CG LYS A 91 -0.083 8.922 10.569 1.00 62.13 C ATOM 1531 CD LYS A 91 -0.189 9.329 12.048 1.00 71.42 C ATOM 1532 CE LYS A 91 1.137 9.184 12.804 1.00 31.31 C ATOM 1533 NZ LYS A 91 1.633 7.787 12.793 1.00 43.23 N ATOM 0 H LYS A 91 1.898 7.598 8.590 1.00 74.13 H new ATOM 0 HA LYS A 91 -0.009 9.702 7.931 1.00 3.20 H new ATOM 0 HB2 LYS A 91 1.996 9.374 10.198 1.00 52.20 H new ATOM 0 HB3 LYS A 91 0.928 10.753 10.031 1.00 52.20 H new ATOM 0 HG2 LYS A 91 -1.040 9.100 10.078 1.00 62.13 H new ATOM 0 HG3 LYS A 91 0.114 7.852 10.504 1.00 62.13 H new ATOM 0 HD2 LYS A 91 -0.526 10.364 12.111 1.00 71.42 H new ATOM 0 HD3 LYS A 91 -0.948 8.716 12.535 1.00 71.42 H new ATOM 0 HE2 LYS A 91 1.884 9.837 12.354 1.00 31.31 H new ATOM 0 HE3 LYS A 91 1.005 9.514 13.835 1.00 31.31 H new ATOM 0 HZ1 LYS A 91 2.611 7.763 13.147 1.00 43.23 H new ATOM 0 HZ2 LYS A 91 1.029 7.199 13.403 1.00 43.23 H new ATOM 0 HZ3 LYS A 91 1.608 7.417 11.821 1.00 43.23 H new ATOM 1547 N GLN A 92 3.165 9.999 7.223 1.00 62.51 N ATOM 1548 CA GLN A 92 4.173 10.844 6.542 1.00 21.24 C ATOM 1549 C GLN A 92 3.649 11.212 5.143 1.00 13.32 C ATOM 1550 O GLN A 92 3.656 12.372 4.760 1.00 22.21 O ATOM 1551 CB GLN A 92 5.555 10.107 6.468 1.00 63.13 C ATOM 1552 CG GLN A 92 6.808 11.000 6.263 1.00 40.40 C ATOM 1553 CD GLN A 92 6.930 11.675 4.883 1.00 53.42 C ATOM 1554 OE1 GLN A 92 7.497 11.120 3.949 1.00 20.54 O ATOM 1555 NE2 GLN A 92 6.429 12.896 4.752 1.00 12.21 N ATOM 0 H GLN A 92 3.472 9.041 7.390 1.00 62.51 H new ATOM 0 HA GLN A 92 4.333 11.760 7.110 1.00 21.24 H new ATOM 0 HB2 GLN A 92 5.688 9.539 7.389 1.00 63.13 H new ATOM 0 HB3 GLN A 92 5.513 9.386 5.652 1.00 63.13 H new ATOM 0 HG2 GLN A 92 6.807 11.777 7.028 1.00 40.40 H new ATOM 0 HG3 GLN A 92 7.697 10.391 6.429 1.00 40.40 H new ATOM 0 HE21 GLN A 92 5.960 13.342 5.540 1.00 12.21 H new ATOM 0 HE22 GLN A 92 6.512 13.389 3.863 1.00 12.21 H new ATOM 1564 N ILE A 93 3.189 10.195 4.399 1.00 2.44 N ATOM 1565 CA ILE A 93 2.595 10.373 3.060 1.00 70.25 C ATOM 1566 C ILE A 93 1.418 11.384 3.038 1.00 14.12 C ATOM 1567 O ILE A 93 1.234 12.064 2.038 1.00 45.44 O ATOM 1568 CB ILE A 93 2.173 9.007 2.430 1.00 31.12 C ATOM 1569 CG1 ILE A 93 1.221 8.262 3.401 1.00 51.31 C ATOM 1570 CG2 ILE A 93 3.426 8.168 2.078 1.00 11.23 C ATOM 1571 CD1 ILE A 93 0.806 6.879 2.971 1.00 13.42 C ATOM 0 H ILE A 93 3.217 9.223 4.707 1.00 2.44 H new ATOM 0 HA ILE A 93 3.383 10.805 2.443 1.00 70.25 H new ATOM 0 HB ILE A 93 1.633 9.179 1.499 1.00 31.12 H new ATOM 0 HG12 ILE A 93 1.707 8.190 4.374 1.00 51.31 H new ATOM 0 HG13 ILE A 93 0.324 8.866 3.536 1.00 51.31 H new ATOM 0 HG21 ILE A 93 3.117 7.219 1.640 1.00 11.23 H new ATOM 0 HG22 ILE A 93 4.041 8.715 1.363 1.00 11.23 H new ATOM 0 HG23 ILE A 93 4.003 7.979 2.983 1.00 11.23 H new ATOM 0 HD11 ILE A 93 0.142 6.449 3.721 1.00 13.42 H new ATOM 0 HD12 ILE A 93 0.286 6.936 2.015 1.00 13.42 H new ATOM 0 HD13 ILE A 93 1.690 6.250 2.866 1.00 13.42 H new ATOM 1583 N LEU A 94 0.642 11.486 4.143 1.00 54.13 N ATOM 1584 CA LEU A 94 -0.410 12.533 4.285 1.00 65.24 C ATOM 1585 C LEU A 94 0.156 13.943 3.970 1.00 72.02 C ATOM 1586 O LEU A 94 -0.408 14.668 3.149 1.00 55.41 O ATOM 1587 CB LEU A 94 -1.035 12.519 5.710 1.00 52.10 C ATOM 1588 CG LEU A 94 -1.937 11.296 6.062 1.00 41.32 C ATOM 1589 CD1 LEU A 94 -2.299 11.293 7.561 1.00 35.32 C ATOM 1590 CD2 LEU A 94 -3.214 11.264 5.186 1.00 10.14 C ATOM 0 H LEU A 94 0.720 10.863 4.947 1.00 54.13 H new ATOM 0 HA LEU A 94 -1.193 12.302 3.562 1.00 65.24 H new ATOM 0 HB2 LEU A 94 -0.225 12.567 6.438 1.00 52.10 H new ATOM 0 HB3 LEU A 94 -1.627 13.426 5.832 1.00 52.10 H new ATOM 0 HG LEU A 94 -1.366 10.392 5.847 1.00 41.32 H new ATOM 0 HD11 LEU A 94 -2.928 10.431 7.782 1.00 35.32 H new ATOM 0 HD12 LEU A 94 -1.387 11.238 8.155 1.00 35.32 H new ATOM 0 HD13 LEU A 94 -2.838 12.208 7.807 1.00 35.32 H new ATOM 0 HD21 LEU A 94 -3.820 10.399 5.457 1.00 10.14 H new ATOM 0 HD22 LEU A 94 -3.789 12.175 5.348 1.00 10.14 H new ATOM 0 HD23 LEU A 94 -2.933 11.195 4.135 1.00 10.14 H new ATOM 1602 N GLU A 95 1.301 14.296 4.596 1.00 14.43 N ATOM 1603 CA GLU A 95 1.963 15.597 4.346 1.00 24.01 C ATOM 1604 C GLU A 95 2.818 15.534 3.056 1.00 10.04 C ATOM 1605 O GLU A 95 2.977 16.536 2.382 1.00 71.11 O ATOM 1606 CB GLU A 95 2.834 16.065 5.554 1.00 20.33 C ATOM 1607 CG GLU A 95 4.031 15.157 5.898 1.00 34.03 C ATOM 1608 CD GLU A 95 5.109 15.833 6.760 1.00 61.14 C ATOM 1609 OE1 GLU A 95 4.934 15.922 7.993 1.00 41.24 O ATOM 1610 OE2 GLU A 95 6.150 16.256 6.206 1.00 40.23 O ATOM 0 H GLU A 95 1.783 13.704 5.273 1.00 14.43 H new ATOM 0 HA GLU A 95 1.172 16.336 4.215 1.00 24.01 H new ATOM 0 HB2 GLU A 95 3.209 17.067 5.343 1.00 20.33 H new ATOM 0 HB3 GLU A 95 2.194 16.142 6.433 1.00 20.33 H new ATOM 0 HG2 GLU A 95 3.664 14.274 6.422 1.00 34.03 H new ATOM 0 HG3 GLU A 95 4.488 14.811 4.971 1.00 34.03 H new ATOM 1617 N ASP A 96 3.310 14.327 2.700 1.00 1.54 N ATOM 1618 CA ASP A 96 4.268 14.130 1.572 1.00 22.01 C ATOM 1619 C ASP A 96 3.585 14.367 0.212 1.00 63.33 C ATOM 1620 O ASP A 96 4.226 14.785 -0.738 1.00 74.03 O ATOM 1621 CB ASP A 96 4.877 12.713 1.626 1.00 21.22 C ATOM 1622 CG ASP A 96 5.988 12.450 0.594 1.00 31.22 C ATOM 1623 OD1 ASP A 96 7.122 12.933 0.798 1.00 14.45 O ATOM 1624 OD2 ASP A 96 5.738 11.747 -0.418 1.00 24.54 O ATOM 0 H ASP A 96 3.060 13.462 3.179 1.00 1.54 H new ATOM 0 HA ASP A 96 5.068 14.863 1.679 1.00 22.01 H new ATOM 0 HB2 ASP A 96 5.280 12.543 2.624 1.00 21.22 H new ATOM 0 HB3 ASP A 96 4.081 11.984 1.476 1.00 21.22 H new ATOM 1629 N LEU A 97 2.271 14.095 0.144 1.00 71.01 N ATOM 1630 CA LEU A 97 1.425 14.406 -1.036 1.00 31.12 C ATOM 1631 C LEU A 97 1.307 15.931 -1.233 1.00 24.14 C ATOM 1632 O LEU A 97 1.111 16.419 -2.352 1.00 41.44 O ATOM 1633 CB LEU A 97 0.010 13.772 -0.853 1.00 22.34 C ATOM 1634 CG LEU A 97 -0.195 12.304 -1.365 1.00 52.32 C ATOM 1635 CD1 LEU A 97 0.913 11.341 -0.909 1.00 41.45 C ATOM 1636 CD2 LEU A 97 -1.570 11.786 -0.929 1.00 22.02 C ATOM 0 H LEU A 97 1.757 13.652 0.905 1.00 71.01 H new ATOM 0 HA LEU A 97 1.893 13.983 -1.925 1.00 31.12 H new ATOM 0 HB2 LEU A 97 -0.235 13.796 0.209 1.00 22.34 H new ATOM 0 HB3 LEU A 97 -0.713 14.410 -1.361 1.00 22.34 H new ATOM 0 HG LEU A 97 -0.140 12.338 -2.453 1.00 52.32 H new ATOM 0 HD11 LEU A 97 0.710 10.343 -1.297 1.00 41.45 H new ATOM 0 HD12 LEU A 97 1.875 11.689 -1.286 1.00 41.45 H new ATOM 0 HD13 LEU A 97 0.941 11.308 0.180 1.00 41.45 H new ATOM 0 HD21 LEU A 97 -1.705 10.766 -1.288 1.00 22.02 H new ATOM 0 HD22 LEU A 97 -1.636 11.799 0.159 1.00 22.02 H new ATOM 0 HD23 LEU A 97 -2.349 12.424 -1.347 1.00 22.02 H new ATOM 1648 N LYS A 98 1.416 16.655 -0.115 1.00 51.42 N ATOM 1649 CA LYS A 98 1.267 18.114 -0.070 1.00 11.04 C ATOM 1650 C LYS A 98 2.627 18.787 -0.354 1.00 73.32 C ATOM 1651 O LYS A 98 2.691 19.821 -1.023 1.00 14.31 O ATOM 1652 CB LYS A 98 0.709 18.556 1.316 1.00 61.51 C ATOM 1653 CG LYS A 98 -0.464 17.698 1.860 1.00 14.44 C ATOM 1654 CD LYS A 98 -1.690 17.618 0.918 1.00 73.25 C ATOM 1655 CE LYS A 98 -2.384 18.974 0.705 1.00 13.02 C ATOM 1656 NZ LYS A 98 -3.582 18.844 -0.163 1.00 40.33 N ATOM 0 H LYS A 98 1.613 16.240 0.796 1.00 51.42 H new ATOM 0 HA LYS A 98 0.558 18.426 -0.837 1.00 11.04 H new ATOM 0 HB2 LYS A 98 1.522 18.533 2.041 1.00 61.51 H new ATOM 0 HB3 LYS A 98 0.377 19.592 1.243 1.00 61.51 H new ATOM 0 HG2 LYS A 98 -0.101 16.688 2.050 1.00 14.44 H new ATOM 0 HG3 LYS A 98 -0.784 18.108 2.818 1.00 14.44 H new ATOM 0 HD2 LYS A 98 -1.372 17.225 -0.048 1.00 73.25 H new ATOM 0 HD3 LYS A 98 -2.410 16.910 1.329 1.00 73.25 H new ATOM 0 HE2 LYS A 98 -2.676 19.390 1.669 1.00 13.02 H new ATOM 0 HE3 LYS A 98 -1.682 19.676 0.255 1.00 13.02 H new ATOM 0 HZ1 LYS A 98 -4.288 19.557 0.111 1.00 40.33 H new ATOM 0 HZ2 LYS A 98 -3.309 18.991 -1.156 1.00 40.33 H new ATOM 0 HZ3 LYS A 98 -3.989 17.893 -0.053 1.00 40.33 H new