USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 969 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 TYR OH : rot 125:sc= 0 USER MOD Set 1.2: A 85 GLN : amide:sc= 0.114 X(o=0.11,f=0.27) USER MOD Set 2.1: A 9 SER OG : rot 120:sc= 0.878 USER MOD Set 2.2: A 14 THR OG1 : rot 178:sc= 1.01 USER MOD Single : A 10 THR OG1 : rot -48:sc= 0.0142 USER MOD Single : A 17 LYS NZ :NH3+ -165:sc= -0.0277 (180deg=-0.236) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -164:sc= -0.057 (180deg=-0.382) USER MOD Single : A 24 LYS NZ :NH3+ -129:sc= 1.3 (180deg=-0.116) USER MOD Single : A 25 ASN : amide:sc= 1.05 K(o=1.1,f=-0.024) USER MOD Single : A 28 LYS NZ :NH3+ -168:sc= -0.0181 (180deg=-0.17) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0.588 K(o=0.59,f=-0.32) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= -0.204 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.246 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 170:sc= -0.0145 (180deg=-0.143) USER MOD Single : A 72 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0877) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 ASN : amide:sc=-0.00611 K(o=-0.0061,f=-0.97) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 39:sc= 0.156 USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.0557 USER MOD Single : A 109 SER OG : rot 180:sc= 0.308 USER MOD Single : A 114 LYS NZ :NH3+ -169:sc= 0.268 (180deg=0.0957) USER MOD Single : A 115 LYS NZ :NH3+ 176:sc= 1.05 (180deg=1.02) USER MOD Single : A 116 SER OG : rot 180:sc= -0.0116 USER MOD ----------------------------------------------------------------- ATOM 34 N ILE A 3 2.269 4.262 6.716 1.00 55.53 N ATOM 35 CA ILE A 3 1.517 4.241 5.451 1.00 34.32 C ATOM 36 C ILE A 3 1.847 2.981 4.625 1.00 44.34 C ATOM 37 O ILE A 3 3.012 2.598 4.484 1.00 20.10 O ATOM 38 CB ILE A 3 1.781 5.524 4.610 1.00 3.14 C ATOM 39 CG1 ILE A 3 0.959 5.505 3.306 1.00 21.33 C ATOM 40 CG2 ILE A 3 3.271 5.690 4.313 1.00 70.43 C ATOM 41 CD1 ILE A 3 1.031 6.796 2.514 1.00 44.15 C ATOM 0 HA ILE A 3 0.458 4.215 5.707 1.00 34.32 H new ATOM 0 HB ILE A 3 1.460 6.383 5.200 1.00 3.14 H new ATOM 0 HG12 ILE A 3 1.310 4.686 2.679 1.00 21.33 H new ATOM 0 HG13 ILE A 3 -0.083 5.297 3.548 1.00 21.33 H new ATOM 0 HG21 ILE A 3 3.426 6.594 3.724 1.00 70.43 H new ATOM 0 HG22 ILE A 3 3.822 5.768 5.250 1.00 70.43 H new ATOM 0 HG23 ILE A 3 3.629 4.826 3.752 1.00 70.43 H new ATOM 0 HD11 ILE A 3 0.427 6.703 1.611 1.00 44.15 H new ATOM 0 HD12 ILE A 3 0.651 7.617 3.122 1.00 44.15 H new ATOM 0 HD13 ILE A 3 2.066 6.997 2.239 1.00 44.15 H new ATOM 53 N VAL A 4 0.808 2.330 4.097 1.00 41.31 N ATOM 54 CA VAL A 4 0.960 1.080 3.339 1.00 13.12 C ATOM 55 C VAL A 4 0.463 1.238 1.891 1.00 2.34 C ATOM 56 O VAL A 4 -0.555 1.882 1.639 1.00 51.14 O ATOM 57 CB VAL A 4 0.176 -0.081 4.013 1.00 54.30 C ATOM 58 CG1 VAL A 4 0.439 -1.407 3.297 1.00 10.51 C ATOM 59 CG2 VAL A 4 0.524 -0.188 5.500 1.00 72.42 C ATOM 0 H VAL A 4 -0.157 2.649 4.180 1.00 41.31 H new ATOM 0 HA VAL A 4 2.024 0.844 3.329 1.00 13.12 H new ATOM 0 HB VAL A 4 -0.888 0.143 3.931 1.00 54.30 H new ATOM 0 HG11 VAL A 4 -0.121 -2.203 3.788 1.00 10.51 H new ATOM 0 HG12 VAL A 4 0.122 -1.328 2.257 1.00 10.51 H new ATOM 0 HG13 VAL A 4 1.504 -1.636 3.335 1.00 10.51 H new ATOM 0 HG21 VAL A 4 -0.038 -1.008 5.947 1.00 72.42 H new ATOM 0 HG22 VAL A 4 1.592 -0.377 5.611 1.00 72.42 H new ATOM 0 HG23 VAL A 4 0.267 0.745 6.002 1.00 72.42 H new ATOM 69 N ILE A 5 1.189 0.649 0.941 1.00 53.22 N ATOM 70 CA ILE A 5 0.788 0.666 -0.475 1.00 63.15 C ATOM 71 C ILE A 5 0.527 -0.759 -0.992 1.00 71.41 C ATOM 72 O ILE A 5 1.283 -1.678 -0.696 1.00 4.15 O ATOM 73 CB ILE A 5 1.878 1.330 -1.354 1.00 65.32 C ATOM 74 CG1 ILE A 5 2.197 2.744 -0.839 1.00 21.23 C ATOM 75 CG2 ILE A 5 1.435 1.378 -2.819 1.00 51.30 C ATOM 76 CD1 ILE A 5 3.346 3.410 -1.566 1.00 15.50 C ATOM 0 H ILE A 5 2.061 0.152 1.122 1.00 53.22 H new ATOM 0 HA ILE A 5 -0.132 1.247 -0.542 1.00 63.15 H new ATOM 0 HB ILE A 5 2.784 0.728 -1.291 1.00 65.32 H new ATOM 0 HG12 ILE A 5 1.307 3.366 -0.936 1.00 21.23 H new ATOM 0 HG13 ILE A 5 2.433 2.690 0.224 1.00 21.23 H new ATOM 0 HG21 ILE A 5 2.214 1.848 -3.419 1.00 51.30 H new ATOM 0 HG22 ILE A 5 1.260 0.364 -3.180 1.00 51.30 H new ATOM 0 HG23 ILE A 5 0.515 1.956 -2.902 1.00 51.30 H new ATOM 0 HD11 ILE A 5 3.513 4.403 -1.149 1.00 15.50 H new ATOM 0 HD12 ILE A 5 4.248 2.810 -1.447 1.00 15.50 H new ATOM 0 HD13 ILE A 5 3.105 3.497 -2.625 1.00 15.50 H new ATOM 88 N VAL A 6 -0.545 -0.936 -1.763 1.00 35.45 N ATOM 89 CA VAL A 6 -0.902 -2.251 -2.319 1.00 31.24 C ATOM 90 C VAL A 6 -0.993 -2.201 -3.855 1.00 31.31 C ATOM 91 O VAL A 6 -1.692 -1.359 -4.422 1.00 52.31 O ATOM 92 CB VAL A 6 -2.252 -2.758 -1.742 1.00 21.55 C ATOM 93 CG1 VAL A 6 -2.593 -4.147 -2.281 1.00 4.13 C ATOM 94 CG2 VAL A 6 -2.225 -2.758 -0.212 1.00 41.12 C ATOM 0 H VAL A 6 -1.186 -0.186 -2.020 1.00 35.45 H new ATOM 0 HA VAL A 6 -0.110 -2.943 -2.032 1.00 31.24 H new ATOM 0 HB VAL A 6 -3.034 -2.072 -2.067 1.00 21.55 H new ATOM 0 HG11 VAL A 6 -3.543 -4.477 -1.861 1.00 4.13 H new ATOM 0 HG12 VAL A 6 -2.671 -4.107 -3.367 1.00 4.13 H new ATOM 0 HG13 VAL A 6 -1.808 -4.849 -2.000 1.00 4.13 H new ATOM 0 HG21 VAL A 6 -3.181 -3.117 0.169 1.00 41.12 H new ATOM 0 HG22 VAL A 6 -1.426 -3.412 0.138 1.00 41.12 H new ATOM 0 HG23 VAL A 6 -2.048 -1.745 0.149 1.00 41.12 H new ATOM 104 N VAL A 7 -0.294 -3.115 -4.528 1.00 62.35 N ATOM 105 CA VAL A 7 -0.249 -3.135 -5.997 1.00 2.22 C ATOM 106 C VAL A 7 -0.983 -4.361 -6.574 1.00 2.24 C ATOM 107 O VAL A 7 -0.497 -5.489 -6.474 1.00 72.50 O ATOM 108 CB VAL A 7 1.218 -3.130 -6.507 1.00 24.21 C ATOM 109 CG1 VAL A 7 1.269 -3.085 -8.034 1.00 23.43 C ATOM 110 CG2 VAL A 7 1.997 -1.961 -5.903 1.00 62.23 C ATOM 0 H VAL A 7 0.251 -3.853 -4.082 1.00 62.35 H new ATOM 0 HA VAL A 7 -0.756 -2.233 -6.341 1.00 2.22 H new ATOM 0 HB VAL A 7 1.689 -4.058 -6.184 1.00 24.21 H new ATOM 0 HG11 VAL A 7 2.308 -3.082 -8.363 1.00 23.43 H new ATOM 0 HG12 VAL A 7 0.762 -3.960 -8.441 1.00 23.43 H new ATOM 0 HG13 VAL A 7 0.774 -2.181 -8.388 1.00 23.43 H new ATOM 0 HG21 VAL A 7 3.022 -1.977 -6.274 1.00 62.23 H new ATOM 0 HG22 VAL A 7 1.522 -1.022 -6.188 1.00 62.23 H new ATOM 0 HG23 VAL A 7 2.003 -2.050 -4.817 1.00 62.23 H new ATOM 120 N PHE A 8 -2.151 -4.132 -7.182 1.00 30.10 N ATOM 121 CA PHE A 8 -2.928 -5.214 -7.814 1.00 44.42 C ATOM 122 C PHE A 8 -2.441 -5.522 -9.239 1.00 2.11 C ATOM 123 O PHE A 8 -2.895 -6.481 -9.861 1.00 12.42 O ATOM 124 CB PHE A 8 -4.422 -4.858 -7.839 1.00 61.42 C ATOM 125 CG PHE A 8 -5.128 -5.102 -6.530 1.00 22.40 C ATOM 126 CD1 PHE A 8 -4.927 -4.262 -5.446 1.00 60.22 C ATOM 127 CD2 PHE A 8 -5.992 -6.180 -6.385 1.00 35.54 C ATOM 128 CE1 PHE A 8 -5.572 -4.491 -4.245 1.00 12.23 C ATOM 129 CE2 PHE A 8 -6.638 -6.413 -5.186 1.00 51.12 C ATOM 130 CZ PHE A 8 -6.428 -5.566 -4.115 1.00 72.12 C ATOM 0 H PHE A 8 -2.582 -3.210 -7.252 1.00 30.10 H new ATOM 0 HA PHE A 8 -2.777 -6.110 -7.212 1.00 44.42 H new ATOM 0 HB2 PHE A 8 -4.531 -3.808 -8.110 1.00 61.42 H new ATOM 0 HB3 PHE A 8 -4.912 -5.441 -8.619 1.00 61.42 H new ATOM 0 HD1 PHE A 8 -4.259 -3.419 -5.541 1.00 60.22 H new ATOM 0 HD2 PHE A 8 -6.161 -6.844 -7.220 1.00 35.54 H new ATOM 0 HE1 PHE A 8 -5.406 -3.829 -3.408 1.00 12.23 H new ATOM 0 HE2 PHE A 8 -7.306 -7.256 -5.086 1.00 51.12 H new ATOM 0 HZ PHE A 8 -6.933 -5.745 -3.177 1.00 72.12 H new ATOM 140 N SER A 9 -1.519 -4.709 -9.749 1.00 44.14 N ATOM 141 CA SER A 9 -0.972 -4.912 -11.104 1.00 74.52 C ATOM 142 C SER A 9 -0.140 -6.199 -11.203 1.00 25.02 C ATOM 143 O SER A 9 0.037 -6.744 -12.293 1.00 73.24 O ATOM 144 CB SER A 9 -0.117 -3.710 -11.524 1.00 60.21 C ATOM 145 OG SER A 9 0.468 -3.907 -12.804 1.00 73.51 O ATOM 0 H SER A 9 -1.132 -3.906 -9.254 1.00 44.14 H new ATOM 0 HA SER A 9 -1.821 -5.009 -11.780 1.00 74.52 H new ATOM 0 HB2 SER A 9 -0.734 -2.811 -11.539 1.00 60.21 H new ATOM 0 HB3 SER A 9 0.668 -3.545 -10.786 1.00 60.21 H new ATOM 0 HG SER A 9 0.163 -3.204 -13.415 1.00 73.51 H new ATOM 151 N THR A 10 0.383 -6.661 -10.060 1.00 63.42 N ATOM 152 CA THR A 10 1.128 -7.935 -9.965 1.00 61.21 C ATOM 153 C THR A 10 2.554 -7.852 -10.553 1.00 63.15 C ATOM 154 O THR A 10 3.511 -8.325 -9.934 1.00 64.34 O ATOM 155 CB THR A 10 0.358 -9.108 -10.639 1.00 0.22 C ATOM 156 OG1 THR A 10 -0.963 -9.219 -10.082 1.00 11.13 O ATOM 157 CG2 THR A 10 1.091 -10.437 -10.464 1.00 2.14 C ATOM 0 H THR A 10 0.305 -6.166 -9.172 1.00 63.42 H new ATOM 0 HA THR A 10 1.220 -8.132 -8.897 1.00 61.21 H new ATOM 0 HB THR A 10 0.294 -8.887 -11.705 1.00 0.22 H new ATOM 0 HG1 THR A 10 -0.909 -9.192 -9.104 1.00 11.13 H new ATOM 0 HG21 THR A 10 0.523 -11.232 -10.948 1.00 2.14 H new ATOM 0 HG22 THR A 10 2.080 -10.370 -10.918 1.00 2.14 H new ATOM 0 HG23 THR A 10 1.194 -10.659 -9.402 1.00 2.14 H new ATOM 165 N ASP A 11 2.695 -7.261 -11.742 1.00 72.13 N ATOM 166 CA ASP A 11 3.997 -7.175 -12.420 1.00 24.41 C ATOM 167 C ASP A 11 5.025 -6.331 -11.642 1.00 21.21 C ATOM 168 O ASP A 11 4.672 -5.402 -10.909 1.00 20.44 O ATOM 169 CB ASP A 11 3.820 -6.615 -13.834 1.00 55.01 C ATOM 170 CG ASP A 11 3.062 -7.573 -14.731 1.00 24.12 C ATOM 171 OD1 ASP A 11 3.661 -8.576 -15.176 1.00 43.35 O ATOM 172 OD2 ASP A 11 1.863 -7.342 -14.983 1.00 4.22 O ATOM 0 H ASP A 11 1.925 -6.834 -12.258 1.00 72.13 H new ATOM 0 HA ASP A 11 4.393 -8.189 -12.470 1.00 24.41 H new ATOM 0 HB2 ASP A 11 3.287 -5.666 -13.784 1.00 55.01 H new ATOM 0 HB3 ASP A 11 4.798 -6.409 -14.268 1.00 55.01 H new ATOM 177 N GLU A 12 6.301 -6.659 -11.840 1.00 43.03 N ATOM 178 CA GLU A 12 7.406 -6.018 -11.118 1.00 73.22 C ATOM 179 C GLU A 12 7.709 -4.617 -11.669 1.00 42.24 C ATOM 180 O GLU A 12 8.032 -3.699 -10.906 1.00 52.23 O ATOM 181 CB GLU A 12 8.686 -6.874 -11.193 1.00 73.22 C ATOM 182 CG GLU A 12 8.518 -8.329 -10.745 1.00 71.13 C ATOM 183 CD GLU A 12 7.722 -9.170 -11.735 1.00 15.10 C ATOM 184 OE1 GLU A 12 8.221 -9.400 -12.856 1.00 35.45 O ATOM 185 OE2 GLU A 12 6.591 -9.584 -11.406 1.00 64.24 O ATOM 0 H GLU A 12 6.600 -7.374 -12.503 1.00 43.03 H new ATOM 0 HA GLU A 12 7.089 -5.926 -10.079 1.00 73.22 H new ATOM 0 HB2 GLU A 12 9.051 -6.866 -12.220 1.00 73.22 H new ATOM 0 HB3 GLU A 12 9.455 -6.406 -10.578 1.00 73.22 H new ATOM 0 HG2 GLU A 12 9.502 -8.776 -10.606 1.00 71.13 H new ATOM 0 HG3 GLU A 12 8.019 -8.349 -9.776 1.00 71.13 H new ATOM 192 N GLU A 13 7.628 -4.452 -12.994 1.00 72.51 N ATOM 193 CA GLU A 13 7.917 -3.154 -13.621 1.00 32.02 C ATOM 194 C GLU A 13 7.005 -2.058 -13.058 1.00 13.01 C ATOM 195 O GLU A 13 7.428 -0.921 -12.869 1.00 2.21 O ATOM 196 CB GLU A 13 7.773 -3.216 -15.153 1.00 3.14 C ATOM 197 CG GLU A 13 6.334 -3.335 -15.655 1.00 2.11 C ATOM 198 CD GLU A 13 6.223 -3.140 -17.162 1.00 40.21 C ATOM 199 OE1 GLU A 13 6.146 -1.975 -17.615 1.00 3.21 O ATOM 200 OE2 GLU A 13 6.229 -4.147 -17.900 1.00 70.43 O ATOM 0 H GLU A 13 7.368 -5.190 -13.648 1.00 72.51 H new ATOM 0 HA GLU A 13 8.953 -2.910 -13.386 1.00 32.02 H new ATOM 0 HB2 GLU A 13 8.220 -2.320 -15.583 1.00 3.14 H new ATOM 0 HB3 GLU A 13 8.344 -4.067 -15.524 1.00 3.14 H new ATOM 0 HG2 GLU A 13 5.940 -4.316 -15.389 1.00 2.11 H new ATOM 0 HG3 GLU A 13 5.714 -2.595 -15.150 1.00 2.11 H new ATOM 207 N THR A 14 5.754 -2.413 -12.776 1.00 61.24 N ATOM 208 CA THR A 14 4.791 -1.474 -12.196 1.00 75.30 C ATOM 209 C THR A 14 5.280 -0.948 -10.844 1.00 20.43 C ATOM 210 O THR A 14 5.183 0.245 -10.554 1.00 61.31 O ATOM 211 CB THR A 14 3.404 -2.130 -12.018 1.00 10.42 C ATOM 212 OG1 THR A 14 2.963 -2.672 -13.271 1.00 54.45 O ATOM 213 CG2 THR A 14 2.378 -1.120 -11.507 1.00 51.24 C ATOM 0 H THR A 14 5.380 -3.348 -12.940 1.00 61.24 H new ATOM 0 HA THR A 14 4.700 -0.640 -12.892 1.00 75.30 H new ATOM 0 HB THR A 14 3.495 -2.928 -11.281 1.00 10.42 H new ATOM 0 HG1 THR A 14 2.096 -3.113 -13.150 1.00 54.45 H new ATOM 0 HG21 THR A 14 1.411 -1.610 -11.391 1.00 51.24 H new ATOM 0 HG22 THR A 14 2.703 -0.727 -10.544 1.00 51.24 H new ATOM 0 HG23 THR A 14 2.287 -0.301 -12.221 1.00 51.24 H new ATOM 221 N LEU A 15 5.829 -1.843 -10.030 1.00 11.21 N ATOM 222 CA LEU A 15 6.399 -1.465 -8.734 1.00 53.44 C ATOM 223 C LEU A 15 7.609 -0.527 -8.909 1.00 60.02 C ATOM 224 O LEU A 15 7.925 0.278 -8.028 1.00 73.24 O ATOM 225 CB LEU A 15 6.801 -2.729 -7.962 1.00 4.14 C ATOM 226 CG LEU A 15 7.436 -2.497 -6.581 1.00 43.34 C ATOM 227 CD1 LEU A 15 6.496 -1.708 -5.671 1.00 63.50 C ATOM 228 CD2 LEU A 15 7.818 -3.828 -5.938 1.00 62.31 C ATOM 0 H LEU A 15 5.893 -2.839 -10.242 1.00 11.21 H new ATOM 0 HA LEU A 15 5.644 -0.922 -8.166 1.00 53.44 H new ATOM 0 HB2 LEU A 15 5.915 -3.350 -7.834 1.00 4.14 H new ATOM 0 HB3 LEU A 15 7.503 -3.297 -8.573 1.00 4.14 H new ATOM 0 HG LEU A 15 8.342 -1.907 -6.719 1.00 43.34 H new ATOM 0 HD11 LEU A 15 6.970 -1.558 -4.701 1.00 63.50 H new ATOM 0 HD12 LEU A 15 6.280 -0.740 -6.123 1.00 63.50 H new ATOM 0 HD13 LEU A 15 5.567 -2.262 -5.539 1.00 63.50 H new ATOM 0 HD21 LEU A 15 8.266 -3.645 -4.961 1.00 62.31 H new ATOM 0 HD22 LEU A 15 6.926 -4.444 -5.819 1.00 62.31 H new ATOM 0 HD23 LEU A 15 8.535 -4.347 -6.574 1.00 62.31 H new ATOM 240 N ARG A 16 8.270 -0.619 -10.063 1.00 0.10 N ATOM 241 CA ARG A 16 9.425 0.235 -10.367 1.00 74.13 C ATOM 242 C ARG A 16 9.004 1.711 -10.498 1.00 35.44 C ATOM 243 O ARG A 16 9.801 2.618 -10.250 1.00 61.35 O ATOM 244 CB ARG A 16 10.110 -0.245 -11.653 1.00 24.33 C ATOM 245 CG ARG A 16 11.510 0.325 -11.864 1.00 33.15 C ATOM 246 CD ARG A 16 12.140 -0.195 -13.152 1.00 51.15 C ATOM 247 NE ARG A 16 13.549 0.170 -13.269 1.00 65.54 N ATOM 248 CZ ARG A 16 14.107 0.609 -14.364 1.00 12.20 C ATOM 249 NH1 ARG A 16 13.394 0.879 -15.412 1.00 70.31 N ATOM 250 NH2 ARG A 16 15.380 0.812 -14.397 1.00 63.21 N ATOM 0 H ARG A 16 8.027 -1.276 -10.805 1.00 0.10 H new ATOM 0 HA ARG A 16 10.132 0.162 -9.541 1.00 74.13 H new ATOM 0 HB2 ARG A 16 10.171 -1.333 -11.635 1.00 24.33 H new ATOM 0 HB3 ARG A 16 9.487 0.025 -12.506 1.00 24.33 H new ATOM 0 HG2 ARG A 16 11.459 1.413 -11.897 1.00 33.15 H new ATOM 0 HG3 ARG A 16 12.143 0.061 -11.016 1.00 33.15 H new ATOM 0 HD2 ARG A 16 12.044 -1.280 -13.188 1.00 51.15 H new ATOM 0 HD3 ARG A 16 11.592 0.202 -14.007 1.00 51.15 H new ATOM 0 HE ARG A 16 14.136 0.076 -12.440 1.00 65.54 H new ATOM 0 HH11 ARG A 16 12.383 0.749 -15.388 1.00 70.31 H new ATOM 0 HH12 ARG A 16 13.844 1.221 -16.261 1.00 70.31 H new ATOM 0 HH21 ARG A 16 15.947 0.629 -13.569 1.00 63.21 H new ATOM 0 HH22 ARG A 16 15.820 1.155 -15.251 1.00 63.21 H new ATOM 264 N LYS A 17 7.747 1.946 -10.891 1.00 50.25 N ATOM 265 CA LYS A 17 7.192 3.306 -10.920 1.00 74.34 C ATOM 266 C LYS A 17 7.130 3.880 -9.498 1.00 1.21 C ATOM 267 O LYS A 17 7.502 5.030 -9.258 1.00 31.55 O ATOM 268 CB LYS A 17 5.779 3.333 -11.543 1.00 12.40 C ATOM 269 CG LYS A 17 5.728 3.094 -13.054 1.00 11.24 C ATOM 270 CD LYS A 17 6.122 1.672 -13.430 1.00 3.41 C ATOM 271 CE LYS A 17 5.934 1.395 -14.919 1.00 72.30 C ATOM 272 NZ LYS A 17 4.509 1.507 -15.341 1.00 42.42 N ATOM 0 H LYS A 17 7.098 1.219 -11.192 1.00 50.25 H new ATOM 0 HA LYS A 17 7.851 3.915 -11.539 1.00 74.34 H new ATOM 0 HB2 LYS A 17 5.168 2.576 -11.051 1.00 12.40 H new ATOM 0 HB3 LYS A 17 5.323 4.300 -11.329 1.00 12.40 H new ATOM 0 HG2 LYS A 17 4.721 3.297 -13.418 1.00 11.24 H new ATOM 0 HG3 LYS A 17 6.395 3.797 -13.553 1.00 11.24 H new ATOM 0 HD2 LYS A 17 7.164 1.502 -13.160 1.00 3.41 H new ATOM 0 HD3 LYS A 17 5.524 0.967 -12.853 1.00 3.41 H new ATOM 0 HE2 LYS A 17 6.537 2.096 -15.495 1.00 72.30 H new ATOM 0 HE3 LYS A 17 6.301 0.395 -15.149 1.00 72.30 H new ATOM 0 HZ1 LYS A 17 4.389 1.072 -16.278 1.00 42.42 H new ATOM 0 HZ2 LYS A 17 3.903 1.018 -14.652 1.00 42.42 H new ATOM 0 HZ3 LYS A 17 4.239 2.510 -15.388 1.00 42.42 H new ATOM 286 N PHE A 18 6.668 3.055 -8.559 1.00 23.03 N ATOM 287 CA PHE A 18 6.570 3.451 -7.151 1.00 60.40 C ATOM 288 C PHE A 18 7.946 3.775 -6.562 1.00 45.10 C ATOM 289 O PHE A 18 8.103 4.759 -5.847 1.00 23.53 O ATOM 290 CB PHE A 18 5.910 2.337 -6.328 1.00 1.01 C ATOM 291 CG PHE A 18 4.479 2.060 -6.719 1.00 54.52 C ATOM 292 CD1 PHE A 18 4.189 1.259 -7.814 1.00 50.45 C ATOM 293 CD2 PHE A 18 3.429 2.607 -5.999 1.00 61.03 C ATOM 294 CE1 PHE A 18 2.883 1.006 -8.178 1.00 43.43 C ATOM 295 CE2 PHE A 18 2.120 2.355 -6.359 1.00 30.14 C ATOM 296 CZ PHE A 18 1.849 1.557 -7.450 1.00 41.42 C ATOM 0 H PHE A 18 6.354 2.103 -8.748 1.00 23.03 H new ATOM 0 HA PHE A 18 5.956 4.351 -7.106 1.00 60.40 H new ATOM 0 HB2 PHE A 18 6.491 1.422 -6.440 1.00 1.01 H new ATOM 0 HB3 PHE A 18 5.943 2.609 -5.273 1.00 1.01 H new ATOM 0 HD1 PHE A 18 4.996 0.828 -8.388 1.00 50.45 H new ATOM 0 HD2 PHE A 18 3.637 3.237 -5.147 1.00 61.03 H new ATOM 0 HE1 PHE A 18 2.670 0.378 -9.031 1.00 43.43 H new ATOM 0 HE2 PHE A 18 1.310 2.782 -5.787 1.00 30.14 H new ATOM 0 HZ PHE A 18 0.826 1.363 -7.735 1.00 41.42 H new ATOM 306 N LYS A 19 8.938 2.940 -6.872 1.00 41.20 N ATOM 307 CA LYS A 19 10.300 3.127 -6.352 1.00 43.44 C ATOM 308 C LYS A 19 10.857 4.525 -6.673 1.00 4.40 C ATOM 309 O LYS A 19 11.496 5.150 -5.829 1.00 41.34 O ATOM 310 CB LYS A 19 11.239 2.045 -6.900 1.00 53.25 C ATOM 311 CG LYS A 19 10.878 0.637 -6.434 1.00 11.51 C ATOM 312 CD LYS A 19 11.884 -0.399 -6.926 1.00 60.42 C ATOM 313 CE LYS A 19 11.540 -1.799 -6.431 1.00 32.35 C ATOM 314 NZ LYS A 19 12.517 -2.814 -6.909 1.00 74.45 N ATOM 0 H LYS A 19 8.828 2.128 -7.479 1.00 41.20 H new ATOM 0 HA LYS A 19 10.244 3.037 -5.267 1.00 43.44 H new ATOM 0 HB2 LYS A 19 11.220 2.075 -7.989 1.00 53.25 H new ATOM 0 HB3 LYS A 19 12.260 2.271 -6.593 1.00 53.25 H new ATOM 0 HG2 LYS A 19 10.836 0.614 -5.345 1.00 11.51 H new ATOM 0 HG3 LYS A 19 9.883 0.378 -6.797 1.00 11.51 H new ATOM 0 HD2 LYS A 19 11.908 -0.394 -8.016 1.00 60.42 H new ATOM 0 HD3 LYS A 19 12.883 -0.127 -6.584 1.00 60.42 H new ATOM 0 HE2 LYS A 19 11.517 -1.803 -5.341 1.00 32.35 H new ATOM 0 HE3 LYS A 19 10.541 -2.069 -6.772 1.00 32.35 H new ATOM 0 HZ1 LYS A 19 12.247 -3.752 -6.550 1.00 74.45 H new ATOM 0 HZ2 LYS A 19 12.521 -2.829 -7.949 1.00 74.45 H new ATOM 0 HZ3 LYS A 19 13.467 -2.571 -6.563 1.00 74.45 H new ATOM 328 N ASP A 20 10.608 5.011 -7.887 1.00 32.22 N ATOM 329 CA ASP A 20 11.050 6.352 -8.285 1.00 73.14 C ATOM 330 C ASP A 20 10.367 7.435 -7.435 1.00 12.32 C ATOM 331 O ASP A 20 11.000 8.393 -7.000 1.00 21.03 O ATOM 332 CB ASP A 20 10.752 6.583 -9.774 1.00 74.25 C ATOM 333 CG ASP A 20 11.179 7.962 -10.250 1.00 1.23 C ATOM 334 OD1 ASP A 20 12.394 8.177 -10.448 1.00 41.24 O ATOM 335 OD2 ASP A 20 10.309 8.839 -10.425 1.00 42.23 O ATOM 0 H ASP A 20 10.104 4.501 -8.612 1.00 32.22 H new ATOM 0 HA ASP A 20 12.125 6.420 -8.119 1.00 73.14 H new ATOM 0 HB2 ASP A 20 11.265 5.824 -10.365 1.00 74.25 H new ATOM 0 HB3 ASP A 20 9.684 6.457 -9.951 1.00 74.25 H new ATOM 340 N ILE A 21 9.074 7.257 -7.188 1.00 63.11 N ATOM 341 CA ILE A 21 8.280 8.240 -6.444 1.00 61.14 C ATOM 342 C ILE A 21 8.615 8.226 -4.939 1.00 24.13 C ATOM 343 O ILE A 21 8.805 9.278 -4.324 1.00 64.31 O ATOM 344 CB ILE A 21 6.766 7.972 -6.645 1.00 73.45 C ATOM 345 CG1 ILE A 21 6.456 7.838 -8.146 1.00 64.45 C ATOM 346 CG2 ILE A 21 5.924 9.084 -6.014 1.00 3.04 C ATOM 347 CD1 ILE A 21 5.040 7.403 -8.458 1.00 21.34 C ATOM 0 H ILE A 21 8.547 6.438 -7.492 1.00 63.11 H new ATOM 0 HA ILE A 21 8.532 9.225 -6.836 1.00 61.14 H new ATOM 0 HB ILE A 21 6.507 7.038 -6.146 1.00 73.45 H new ATOM 0 HG12 ILE A 21 6.643 8.797 -8.630 1.00 64.45 H new ATOM 0 HG13 ILE A 21 7.148 7.119 -8.584 1.00 64.45 H new ATOM 0 HG21 ILE A 21 4.866 8.872 -6.169 1.00 3.04 H new ATOM 0 HG22 ILE A 21 6.131 9.135 -4.945 1.00 3.04 H new ATOM 0 HG23 ILE A 21 6.175 10.038 -6.478 1.00 3.04 H new ATOM 0 HD11 ILE A 21 4.910 7.335 -9.538 1.00 21.34 H new ATOM 0 HD12 ILE A 21 4.851 6.429 -8.007 1.00 21.34 H new ATOM 0 HD13 ILE A 21 4.338 8.132 -8.054 1.00 21.34 H new ATOM 359 N ILE A 22 8.691 7.031 -4.357 1.00 70.23 N ATOM 360 CA ILE A 22 9.009 6.869 -2.931 1.00 54.44 C ATOM 361 C ILE A 22 10.415 7.407 -2.602 1.00 71.22 C ATOM 362 O ILE A 22 10.587 8.194 -1.665 1.00 64.33 O ATOM 363 CB ILE A 22 8.903 5.381 -2.507 1.00 24.45 C ATOM 364 CG1 ILE A 22 7.469 4.866 -2.718 1.00 41.31 C ATOM 365 CG2 ILE A 22 9.338 5.191 -1.053 1.00 21.32 C ATOM 366 CD1 ILE A 22 7.288 3.399 -2.386 1.00 53.03 C ATOM 0 H ILE A 22 8.536 6.152 -4.851 1.00 70.23 H new ATOM 0 HA ILE A 22 8.279 7.451 -2.369 1.00 54.44 H new ATOM 0 HB ILE A 22 9.577 4.799 -3.135 1.00 24.45 H new ATOM 0 HG12 ILE A 22 6.788 5.454 -2.103 1.00 41.31 H new ATOM 0 HG13 ILE A 22 7.183 5.031 -3.757 1.00 41.31 H new ATOM 0 HG21 ILE A 22 9.254 4.138 -0.783 1.00 21.32 H new ATOM 0 HG22 ILE A 22 10.373 5.513 -0.938 1.00 21.32 H new ATOM 0 HG23 ILE A 22 8.698 5.786 -0.401 1.00 21.32 H new ATOM 0 HD11 ILE A 22 6.251 3.112 -2.560 1.00 53.03 H new ATOM 0 HD12 ILE A 22 7.942 2.799 -3.019 1.00 53.03 H new ATOM 0 HD13 ILE A 22 7.541 3.229 -1.339 1.00 53.03 H new ATOM 378 N LYS A 23 11.413 6.993 -3.386 1.00 62.22 N ATOM 379 CA LYS A 23 12.790 7.484 -3.214 1.00 31.31 C ATOM 380 C LYS A 23 12.868 9.004 -3.435 1.00 42.42 C ATOM 381 O LYS A 23 13.671 9.695 -2.807 1.00 42.33 O ATOM 382 CB LYS A 23 13.741 6.765 -4.185 1.00 20.34 C ATOM 383 CG LYS A 23 13.826 5.255 -3.968 1.00 5.44 C ATOM 384 CD LYS A 23 14.517 4.892 -2.656 1.00 54.44 C ATOM 385 CE LYS A 23 16.007 5.220 -2.688 1.00 33.41 C ATOM 386 NZ LYS A 23 16.710 4.496 -3.781 1.00 1.24 N ATOM 0 H LYS A 23 11.298 6.321 -4.145 1.00 62.22 H new ATOM 0 HA LYS A 23 13.096 7.269 -2.190 1.00 31.31 H new ATOM 0 HB2 LYS A 23 13.414 6.957 -5.207 1.00 20.34 H new ATOM 0 HB3 LYS A 23 14.738 7.193 -4.084 1.00 20.34 H new ATOM 0 HG2 LYS A 23 12.821 4.833 -3.975 1.00 5.44 H new ATOM 0 HG3 LYS A 23 14.368 4.802 -4.798 1.00 5.44 H new ATOM 0 HD2 LYS A 23 14.044 5.431 -1.835 1.00 54.44 H new ATOM 0 HD3 LYS A 23 14.384 3.829 -2.457 1.00 54.44 H new ATOM 0 HE2 LYS A 23 16.140 6.294 -2.820 1.00 33.41 H new ATOM 0 HE3 LYS A 23 16.457 4.958 -1.731 1.00 33.41 H new ATOM 0 HZ1 LYS A 23 17.736 4.523 -3.612 1.00 1.24 H new ATOM 0 HZ2 LYS A 23 16.389 3.507 -3.805 1.00 1.24 H new ATOM 0 HZ3 LYS A 23 16.497 4.951 -4.692 1.00 1.24 H new ATOM 400 N LYS A 24 12.016 9.513 -4.324 1.00 74.10 N ATOM 401 CA LYS A 24 11.958 10.948 -4.632 1.00 4.03 C ATOM 402 C LYS A 24 11.417 11.762 -3.441 1.00 12.34 C ATOM 403 O LYS A 24 11.696 12.955 -3.313 1.00 33.53 O ATOM 404 CB LYS A 24 11.085 11.159 -5.875 1.00 2.34 C ATOM 405 CG LYS A 24 11.204 12.542 -6.515 1.00 1.24 C ATOM 406 CD LYS A 24 10.549 12.580 -7.895 1.00 43.42 C ATOM 407 CE LYS A 24 11.133 11.514 -8.822 1.00 43.14 C ATOM 408 NZ LYS A 24 10.522 11.540 -10.178 1.00 35.12 N ATOM 0 H LYS A 24 11.349 8.949 -4.850 1.00 74.10 H new ATOM 0 HA LYS A 24 12.969 11.305 -4.830 1.00 4.03 H new ATOM 0 HB2 LYS A 24 11.348 10.406 -6.618 1.00 2.34 H new ATOM 0 HB3 LYS A 24 10.043 10.988 -5.603 1.00 2.34 H new ATOM 0 HG2 LYS A 24 10.736 13.284 -5.869 1.00 1.24 H new ATOM 0 HG3 LYS A 24 12.256 12.814 -6.603 1.00 1.24 H new ATOM 0 HD2 LYS A 24 9.475 12.426 -7.793 1.00 43.42 H new ATOM 0 HD3 LYS A 24 10.689 13.566 -8.338 1.00 43.42 H new ATOM 0 HE2 LYS A 24 12.209 11.663 -8.909 1.00 43.14 H new ATOM 0 HE3 LYS A 24 10.983 10.530 -8.378 1.00 43.14 H new ATOM 0 HZ1 LYS A 24 10.207 10.583 -10.435 1.00 35.12 H new ATOM 0 HZ2 LYS A 24 9.706 12.185 -10.179 1.00 35.12 H new ATOM 0 HZ3 LYS A 24 11.225 11.870 -10.869 1.00 35.12 H new ATOM 422 N ASN A 25 10.641 11.110 -2.576 1.00 62.10 N ATOM 423 CA ASN A 25 10.166 11.733 -1.333 1.00 33.04 C ATOM 424 C ASN A 25 11.139 11.470 -0.168 1.00 0.44 C ATOM 425 O ASN A 25 10.894 11.890 0.964 1.00 1.31 O ATOM 426 CB ASN A 25 8.760 11.225 -0.975 1.00 44.33 C ATOM 427 CG ASN A 25 7.680 11.845 -1.846 1.00 33.11 C ATOM 428 OD1 ASN A 25 7.138 12.893 -1.525 1.00 52.23 O ATOM 429 ND2 ASN A 25 7.360 11.208 -2.953 1.00 54.31 N ATOM 0 H ASN A 25 10.326 10.149 -2.710 1.00 62.10 H new ATOM 0 HA ASN A 25 10.119 12.809 -1.500 1.00 33.04 H new ATOM 0 HB2 ASN A 25 8.731 10.141 -1.081 1.00 44.33 H new ATOM 0 HB3 ASN A 25 8.552 11.448 0.071 1.00 44.33 H new ATOM 0 HD21 ASN A 25 6.642 11.587 -3.570 1.00 54.31 H new ATOM 0 HD22 ASN A 25 7.830 10.335 -3.193 1.00 54.31 H new ATOM 436 N GLY A 26 12.240 10.772 -0.448 1.00 64.21 N ATOM 437 CA GLY A 26 13.256 10.509 0.571 1.00 24.22 C ATOM 438 C GLY A 26 13.066 9.189 1.315 1.00 42.01 C ATOM 439 O GLY A 26 13.924 8.788 2.107 1.00 40.54 O ATOM 0 H GLY A 26 12.450 10.381 -1.366 1.00 64.21 H new ATOM 0 HA2 GLY A 26 14.238 10.509 0.098 1.00 24.22 H new ATOM 0 HA3 GLY A 26 13.250 11.325 1.294 1.00 24.22 H new ATOM 443 N PHE A 27 11.964 8.497 1.045 1.00 72.45 N ATOM 444 CA PHE A 27 11.642 7.248 1.748 1.00 12.41 C ATOM 445 C PHE A 27 12.251 6.018 1.053 1.00 73.32 C ATOM 446 O PHE A 27 12.605 6.060 -0.128 1.00 12.54 O ATOM 447 CB PHE A 27 10.119 7.078 1.857 1.00 0.43 C ATOM 448 CG PHE A 27 9.449 8.101 2.740 1.00 52.30 C ATOM 449 CD1 PHE A 27 9.258 9.402 2.300 1.00 13.43 C ATOM 450 CD2 PHE A 27 9.014 7.759 4.013 1.00 34.40 C ATOM 451 CE1 PHE A 27 8.647 10.341 3.111 1.00 25.24 C ATOM 452 CE2 PHE A 27 8.403 8.693 4.827 1.00 54.41 C ATOM 453 CZ PHE A 27 8.220 9.986 4.375 1.00 32.33 C ATOM 0 H PHE A 27 11.275 8.775 0.346 1.00 72.45 H new ATOM 0 HA PHE A 27 12.078 7.317 2.744 1.00 12.41 H new ATOM 0 HB2 PHE A 27 9.685 7.135 0.859 1.00 0.43 H new ATOM 0 HB3 PHE A 27 9.902 6.082 2.243 1.00 0.43 H new ATOM 0 HD1 PHE A 27 9.590 9.685 1.312 1.00 13.43 H new ATOM 0 HD2 PHE A 27 9.155 6.750 4.372 1.00 34.40 H new ATOM 0 HE1 PHE A 27 8.504 11.351 2.756 1.00 25.24 H new ATOM 0 HE2 PHE A 27 8.069 8.413 5.815 1.00 54.41 H new ATOM 0 HZ PHE A 27 7.743 10.718 5.010 1.00 32.33 H new ATOM 463 N LYS A 28 12.386 4.927 1.807 1.00 11.42 N ATOM 464 CA LYS A 28 12.862 3.645 1.264 1.00 62.11 C ATOM 465 C LYS A 28 11.685 2.711 0.937 1.00 54.31 C ATOM 466 O LYS A 28 10.619 2.804 1.546 1.00 23.12 O ATOM 467 CB LYS A 28 13.804 2.960 2.270 1.00 12.33 C ATOM 468 CG LYS A 28 15.072 3.757 2.576 1.00 25.33 C ATOM 469 CD LYS A 28 15.989 3.871 1.358 1.00 30.24 C ATOM 470 CE LYS A 28 16.572 2.520 0.948 1.00 11.34 C ATOM 471 NZ LYS A 28 17.461 1.950 1.997 1.00 1.13 N ATOM 0 H LYS A 28 12.172 4.901 2.804 1.00 11.42 H new ATOM 0 HA LYS A 28 13.405 3.851 0.342 1.00 62.11 H new ATOM 0 HB2 LYS A 28 13.262 2.787 3.200 1.00 12.33 H new ATOM 0 HB3 LYS A 28 14.087 1.982 1.880 1.00 12.33 H new ATOM 0 HG2 LYS A 28 14.798 4.755 2.918 1.00 25.33 H new ATOM 0 HG3 LYS A 28 15.612 3.278 3.392 1.00 25.33 H new ATOM 0 HD2 LYS A 28 15.430 4.293 0.522 1.00 30.24 H new ATOM 0 HD3 LYS A 28 16.801 4.563 1.580 1.00 30.24 H new ATOM 0 HE2 LYS A 28 15.760 1.822 0.744 1.00 11.34 H new ATOM 0 HE3 LYS A 28 17.134 2.635 0.021 1.00 11.34 H new ATOM 0 HZ1 LYS A 28 17.990 1.145 1.604 1.00 1.13 H new ATOM 0 HZ2 LYS A 28 18.129 2.679 2.320 1.00 1.13 H new ATOM 0 HZ3 LYS A 28 16.886 1.627 2.801 1.00 1.13 H new ATOM 485 N VAL A 29 11.889 1.808 -0.021 1.00 53.45 N ATOM 486 CA VAL A 29 10.833 0.879 -0.450 1.00 14.35 C ATOM 487 C VAL A 29 10.966 -0.488 0.245 1.00 11.22 C ATOM 488 O VAL A 29 11.942 -1.207 0.036 1.00 52.52 O ATOM 489 CB VAL A 29 10.861 0.669 -1.987 1.00 12.52 C ATOM 490 CG1 VAL A 29 9.686 -0.199 -2.444 1.00 35.42 C ATOM 491 CG2 VAL A 29 10.862 2.015 -2.713 1.00 24.22 C ATOM 0 H VAL A 29 12.773 1.696 -0.517 1.00 53.45 H new ATOM 0 HA VAL A 29 9.883 1.331 -0.164 1.00 14.35 H new ATOM 0 HB VAL A 29 11.781 0.143 -2.242 1.00 12.52 H new ATOM 0 HG11 VAL A 29 9.730 -0.330 -3.525 1.00 35.42 H new ATOM 0 HG12 VAL A 29 9.742 -1.173 -1.958 1.00 35.42 H new ATOM 0 HG13 VAL A 29 8.748 0.287 -2.175 1.00 35.42 H new ATOM 0 HG21 VAL A 29 10.882 1.848 -3.790 1.00 24.22 H new ATOM 0 HG22 VAL A 29 9.963 2.572 -2.449 1.00 24.22 H new ATOM 0 HG23 VAL A 29 11.742 2.587 -2.418 1.00 24.22 H new ATOM 501 N ARG A 30 9.984 -0.840 1.073 1.00 0.11 N ATOM 502 CA ARG A 30 9.965 -2.148 1.744 1.00 13.41 C ATOM 503 C ARG A 30 8.970 -3.092 1.044 1.00 12.20 C ATOM 504 O ARG A 30 7.764 -3.026 1.282 1.00 12.03 O ATOM 505 CB ARG A 30 9.589 -1.967 3.224 1.00 64.24 C ATOM 506 CG ARG A 30 9.829 -3.198 4.095 1.00 22.43 C ATOM 507 CD ARG A 30 11.316 -3.525 4.229 1.00 31.13 C ATOM 508 NE ARG A 30 12.087 -2.404 4.781 1.00 33.31 N ATOM 509 CZ ARG A 30 12.881 -2.491 5.818 1.00 1.14 C ATOM 510 NH1 ARG A 30 13.005 -3.599 6.475 1.00 35.01 N ATOM 511 NH2 ARG A 30 13.551 -1.455 6.201 1.00 3.01 N ATOM 0 H ARG A 30 9.189 -0.241 1.298 1.00 0.11 H new ATOM 0 HA ARG A 30 10.958 -2.594 1.686 1.00 13.41 H new ATOM 0 HB2 ARG A 30 10.160 -1.133 3.631 1.00 64.24 H new ATOM 0 HB3 ARG A 30 8.536 -1.693 3.287 1.00 64.24 H new ATOM 0 HG2 ARG A 30 9.404 -3.030 5.085 1.00 22.43 H new ATOM 0 HG3 ARG A 30 9.307 -4.053 3.665 1.00 22.43 H new ATOM 0 HD2 ARG A 30 11.437 -4.397 4.871 1.00 31.13 H new ATOM 0 HD3 ARG A 30 11.716 -3.791 3.251 1.00 31.13 H new ATOM 0 HE ARG A 30 11.998 -1.496 4.325 1.00 33.31 H new ATOM 0 HH11 ARG A 30 12.479 -4.424 6.187 1.00 35.01 H new ATOM 0 HH12 ARG A 30 13.629 -3.647 7.281 1.00 35.01 H new ATOM 0 HH21 ARG A 30 13.460 -0.574 5.696 1.00 3.01 H new ATOM 0 HH22 ARG A 30 14.171 -1.518 7.009 1.00 3.01 H new ATOM 525 N THR A 31 9.481 -3.965 0.175 1.00 5.22 N ATOM 526 CA THR A 31 8.627 -4.825 -0.664 1.00 63.32 C ATOM 527 C THR A 31 8.109 -6.063 0.081 1.00 71.20 C ATOM 528 O THR A 31 8.870 -6.774 0.740 1.00 52.34 O ATOM 529 CB THR A 31 9.378 -5.293 -1.934 1.00 12.33 C ATOM 530 OG1 THR A 31 10.602 -5.954 -1.577 1.00 0.42 O ATOM 531 CG2 THR A 31 9.682 -4.112 -2.855 1.00 23.22 C ATOM 0 H THR A 31 10.482 -4.100 0.029 1.00 5.22 H new ATOM 0 HA THR A 31 7.772 -4.207 -0.939 1.00 63.32 H new ATOM 0 HB THR A 31 8.733 -5.993 -2.465 1.00 12.33 H new ATOM 0 HG1 THR A 31 11.065 -6.246 -2.390 1.00 0.42 H new ATOM 0 HG21 THR A 31 10.210 -4.467 -3.740 1.00 23.22 H new ATOM 0 HG22 THR A 31 8.749 -3.636 -3.156 1.00 23.22 H new ATOM 0 HG23 THR A 31 10.304 -3.390 -2.327 1.00 23.22 H new ATOM 539 N VAL A 32 6.806 -6.320 -0.048 1.00 60.54 N ATOM 540 CA VAL A 32 6.158 -7.480 0.580 1.00 64.12 C ATOM 541 C VAL A 32 5.368 -8.315 -0.448 1.00 25.32 C ATOM 542 O VAL A 32 4.633 -7.772 -1.272 1.00 14.12 O ATOM 543 CB VAL A 32 5.197 -7.032 1.715 1.00 34.42 C ATOM 544 CG1 VAL A 32 4.415 -8.218 2.277 1.00 24.33 C ATOM 545 CG2 VAL A 32 5.965 -6.314 2.825 1.00 74.42 C ATOM 0 H VAL A 32 6.169 -5.734 -0.588 1.00 60.54 H new ATOM 0 HA VAL A 32 6.953 -8.098 0.998 1.00 64.12 H new ATOM 0 HB VAL A 32 4.480 -6.331 1.287 1.00 34.42 H new ATOM 0 HG11 VAL A 32 3.751 -7.873 3.070 1.00 24.33 H new ATOM 0 HG12 VAL A 32 3.825 -8.674 1.482 1.00 24.33 H new ATOM 0 HG13 VAL A 32 5.110 -8.954 2.681 1.00 24.33 H new ATOM 0 HG21 VAL A 32 5.272 -6.009 3.609 1.00 74.42 H new ATOM 0 HG22 VAL A 32 6.713 -6.987 3.244 1.00 74.42 H new ATOM 0 HG23 VAL A 32 6.459 -5.433 2.415 1.00 74.42 H new ATOM 555 N ARG A 33 5.528 -9.640 -0.388 1.00 30.30 N ATOM 556 CA ARG A 33 4.795 -10.563 -1.276 1.00 62.13 C ATOM 557 C ARG A 33 4.139 -11.716 -0.490 1.00 23.22 C ATOM 558 O ARG A 33 3.282 -12.428 -1.017 1.00 64.52 O ATOM 559 CB ARG A 33 5.743 -11.133 -2.339 1.00 34.42 C ATOM 560 CG ARG A 33 6.981 -11.814 -1.758 1.00 35.12 C ATOM 561 CD ARG A 33 7.869 -12.411 -2.843 1.00 74.25 C ATOM 562 NE ARG A 33 8.255 -11.423 -3.852 1.00 32.14 N ATOM 563 CZ ARG A 33 9.390 -10.779 -3.862 1.00 31.42 C ATOM 564 NH1 ARG A 33 10.249 -10.931 -2.901 1.00 12.25 N ATOM 565 NH2 ARG A 33 9.654 -9.965 -4.831 1.00 55.31 N ATOM 0 H ARG A 33 6.159 -10.104 0.266 1.00 30.30 H new ATOM 0 HA ARG A 33 4.001 -9.994 -1.759 1.00 62.13 H new ATOM 0 HB2 ARG A 33 5.198 -11.852 -2.951 1.00 34.42 H new ATOM 0 HB3 ARG A 33 6.060 -10.326 -3.000 1.00 34.42 H new ATOM 0 HG2 ARG A 33 7.554 -11.090 -1.179 1.00 35.12 H new ATOM 0 HG3 ARG A 33 6.672 -12.601 -1.069 1.00 35.12 H new ATOM 0 HD2 ARG A 33 8.766 -12.829 -2.386 1.00 74.25 H new ATOM 0 HD3 ARG A 33 7.344 -13.235 -3.327 1.00 74.25 H new ATOM 0 HE ARG A 33 7.590 -11.224 -4.600 1.00 32.14 H new ATOM 0 HH11 ARG A 33 10.041 -11.560 -2.125 1.00 12.25 H new ATOM 0 HH12 ARG A 33 11.132 -10.422 -2.921 1.00 12.25 H new ATOM 0 HH21 ARG A 33 8.977 -9.829 -5.582 1.00 55.31 H new ATOM 0 HH22 ARG A 33 10.539 -9.459 -4.845 1.00 55.31 H new ATOM 579 N SER A 34 4.547 -11.888 0.767 1.00 14.24 N ATOM 580 CA SER A 34 4.036 -12.973 1.625 1.00 23.34 C ATOM 581 C SER A 34 3.904 -12.496 3.082 1.00 61.40 C ATOM 582 O SER A 34 4.571 -11.538 3.484 1.00 55.41 O ATOM 583 CB SER A 34 4.967 -14.196 1.557 1.00 24.42 C ATOM 584 OG SER A 34 4.995 -14.757 0.252 1.00 74.30 O ATOM 0 H SER A 34 5.235 -11.288 1.222 1.00 14.24 H new ATOM 0 HA SER A 34 3.050 -13.259 1.260 1.00 23.34 H new ATOM 0 HB2 SER A 34 5.975 -13.904 1.850 1.00 24.42 H new ATOM 0 HB3 SER A 34 4.633 -14.949 2.271 1.00 24.42 H new ATOM 0 HG SER A 34 5.596 -15.531 0.241 1.00 74.30 H new ATOM 590 N PRO A 35 3.040 -13.147 3.896 1.00 34.10 N ATOM 591 CA PRO A 35 2.821 -12.763 5.305 1.00 24.44 C ATOM 592 C PRO A 35 4.128 -12.582 6.103 1.00 11.43 C ATOM 593 O PRO A 35 4.284 -11.602 6.834 1.00 3.24 O ATOM 594 CB PRO A 35 1.978 -13.922 5.884 1.00 13.44 C ATOM 595 CG PRO A 35 1.972 -14.988 4.833 1.00 23.13 C ATOM 596 CD PRO A 35 2.193 -14.291 3.519 1.00 4.33 C ATOM 0 HA PRO A 35 2.331 -11.792 5.373 1.00 24.44 H new ATOM 0 HB2 PRO A 35 2.409 -14.292 6.814 1.00 13.44 H new ATOM 0 HB3 PRO A 35 0.964 -13.592 6.112 1.00 13.44 H new ATOM 0 HG2 PRO A 35 2.756 -15.722 5.020 1.00 23.13 H new ATOM 0 HG3 PRO A 35 1.025 -15.527 4.832 1.00 23.13 H new ATOM 0 HD2 PRO A 35 2.687 -14.939 2.795 1.00 4.33 H new ATOM 0 HD3 PRO A 35 1.254 -13.968 3.069 1.00 4.33 H new ATOM 604 N GLN A 36 5.072 -13.517 5.950 1.00 21.20 N ATOM 605 CA GLN A 36 6.361 -13.434 6.657 1.00 61.22 C ATOM 606 C GLN A 36 7.128 -12.152 6.285 1.00 65.33 C ATOM 607 O GLN A 36 7.821 -11.565 7.120 1.00 14.10 O ATOM 608 CB GLN A 36 7.236 -14.657 6.345 1.00 4.43 C ATOM 609 CG GLN A 36 7.713 -14.723 4.898 1.00 1.20 C ATOM 610 CD GLN A 36 8.706 -15.843 4.648 1.00 23.00 C ATOM 611 OE1 GLN A 36 8.659 -16.888 5.286 1.00 43.43 O ATOM 612 NE2 GLN A 36 9.621 -15.624 3.727 1.00 15.31 N ATOM 0 H GLN A 36 4.972 -14.335 5.349 1.00 21.20 H new ATOM 0 HA GLN A 36 6.139 -13.411 7.724 1.00 61.22 H new ATOM 0 HB2 GLN A 36 8.105 -14.647 7.003 1.00 4.43 H new ATOM 0 HB3 GLN A 36 6.673 -15.562 6.573 1.00 4.43 H new ATOM 0 HG2 GLN A 36 6.852 -14.857 4.244 1.00 1.20 H new ATOM 0 HG3 GLN A 36 8.172 -13.772 4.630 1.00 1.20 H new ATOM 0 HE21 GLN A 36 9.629 -14.741 3.216 1.00 15.31 H new ATOM 0 HE22 GLN A 36 10.322 -16.337 3.525 1.00 15.31 H new ATOM 621 N GLU A 37 6.995 -11.728 5.026 1.00 44.32 N ATOM 622 CA GLU A 37 7.668 -10.521 4.533 1.00 51.31 C ATOM 623 C GLU A 37 7.102 -9.276 5.235 1.00 74.31 C ATOM 624 O GLU A 37 7.843 -8.393 5.673 1.00 73.50 O ATOM 625 CB GLU A 37 7.475 -10.390 3.009 1.00 4.43 C ATOM 626 CG GLU A 37 7.676 -11.688 2.223 1.00 33.32 C ATOM 627 CD GLU A 37 9.127 -12.146 2.146 1.00 61.13 C ATOM 628 OE1 GLU A 37 9.617 -12.763 3.115 1.00 52.24 O ATOM 629 OE2 GLU A 37 9.769 -11.916 1.100 1.00 43.22 O ATOM 0 H GLU A 37 6.426 -12.204 4.326 1.00 44.32 H new ATOM 0 HA GLU A 37 8.733 -10.602 4.752 1.00 51.31 H new ATOM 0 HB2 GLU A 37 6.470 -10.016 2.815 1.00 4.43 H new ATOM 0 HB3 GLU A 37 8.172 -9.642 2.632 1.00 4.43 H new ATOM 0 HG2 GLU A 37 7.081 -12.476 2.684 1.00 33.32 H new ATOM 0 HG3 GLU A 37 7.295 -11.551 1.211 1.00 33.32 H new ATOM 636 N LEU A 38 5.772 -9.227 5.339 1.00 41.22 N ATOM 637 CA LEU A 38 5.078 -8.128 6.023 1.00 31.52 C ATOM 638 C LEU A 38 5.434 -8.122 7.520 1.00 44.41 C ATOM 639 O LEU A 38 5.705 -7.070 8.105 1.00 12.14 O ATOM 640 CB LEU A 38 3.554 -8.269 5.811 1.00 32.42 C ATOM 641 CG LEU A 38 2.704 -6.999 6.046 1.00 12.22 C ATOM 642 CD1 LEU A 38 1.327 -7.153 5.402 1.00 23.15 C ATOM 643 CD2 LEU A 38 2.554 -6.696 7.537 1.00 24.44 C ATOM 0 H LEU A 38 5.149 -9.939 4.957 1.00 41.22 H new ATOM 0 HA LEU A 38 5.400 -7.176 5.601 1.00 31.52 H new ATOM 0 HB2 LEU A 38 3.382 -8.611 4.790 1.00 32.42 H new ATOM 0 HB3 LEU A 38 3.188 -9.052 6.475 1.00 32.42 H new ATOM 0 HG LEU A 38 3.224 -6.161 5.581 1.00 12.22 H new ATOM 0 HD11 LEU A 38 0.741 -6.251 5.576 1.00 23.15 H new ATOM 0 HD12 LEU A 38 1.442 -7.309 4.329 1.00 23.15 H new ATOM 0 HD13 LEU A 38 0.814 -8.009 5.840 1.00 23.15 H new ATOM 0 HD21 LEU A 38 1.951 -5.797 7.667 1.00 24.44 H new ATOM 0 HD22 LEU A 38 2.065 -7.535 8.031 1.00 24.44 H new ATOM 0 HD23 LEU A 38 3.539 -6.539 7.977 1.00 24.44 H new ATOM 655 N LYS A 39 5.448 -9.309 8.126 1.00 33.21 N ATOM 656 CA LYS A 39 5.838 -9.460 9.532 1.00 61.11 C ATOM 657 C LYS A 39 7.252 -8.913 9.776 1.00 65.35 C ATOM 658 O LYS A 39 7.462 -8.081 10.656 1.00 70.34 O ATOM 659 CB LYS A 39 5.785 -10.938 9.940 1.00 45.30 C ATOM 660 CG LYS A 39 6.106 -11.187 11.417 1.00 42.00 C ATOM 661 CD LYS A 39 6.336 -12.668 11.704 1.00 21.51 C ATOM 662 CE LYS A 39 5.126 -13.523 11.342 1.00 52.21 C ATOM 663 NZ LYS A 39 5.429 -14.974 11.433 1.00 44.33 N ATOM 0 H LYS A 39 5.194 -10.183 7.666 1.00 33.21 H new ATOM 0 HA LYS A 39 5.134 -8.888 10.137 1.00 61.11 H new ATOM 0 HB2 LYS A 39 4.791 -11.329 9.724 1.00 45.30 H new ATOM 0 HB3 LYS A 39 6.489 -11.500 9.326 1.00 45.30 H new ATOM 0 HG2 LYS A 39 6.994 -10.620 11.697 1.00 42.00 H new ATOM 0 HG3 LYS A 39 5.286 -10.820 12.034 1.00 42.00 H new ATOM 0 HD2 LYS A 39 7.204 -13.014 11.142 1.00 21.51 H new ATOM 0 HD3 LYS A 39 6.568 -12.799 12.761 1.00 21.51 H new ATOM 0 HE2 LYS A 39 4.298 -13.282 12.009 1.00 52.21 H new ATOM 0 HE3 LYS A 39 4.801 -13.282 10.330 1.00 52.21 H new ATOM 0 HZ1 LYS A 39 4.582 -15.522 11.180 1.00 44.33 H new ATOM 0 HZ2 LYS A 39 6.202 -15.209 10.778 1.00 44.33 H new ATOM 0 HZ3 LYS A 39 5.715 -15.209 12.405 1.00 44.33 H new ATOM 677 N ASP A 40 8.212 -9.380 8.975 1.00 21.21 N ATOM 678 CA ASP A 40 9.614 -8.965 9.110 1.00 62.14 C ATOM 679 C ASP A 40 9.760 -7.438 9.015 1.00 50.01 C ATOM 680 O ASP A 40 10.582 -6.835 9.713 1.00 34.13 O ATOM 681 CB ASP A 40 10.468 -9.649 8.034 1.00 63.51 C ATOM 682 CG ASP A 40 11.944 -9.333 8.182 1.00 61.40 C ATOM 683 OD1 ASP A 40 12.555 -9.789 9.171 1.00 25.12 O ATOM 684 OD2 ASP A 40 12.498 -8.613 7.327 1.00 51.14 O ATOM 0 H ASP A 40 8.045 -10.048 8.223 1.00 21.21 H new ATOM 0 HA ASP A 40 9.964 -9.271 10.096 1.00 62.14 H new ATOM 0 HB2 ASP A 40 10.323 -10.728 8.090 1.00 63.51 H new ATOM 0 HB3 ASP A 40 10.128 -9.332 7.048 1.00 63.51 H new ATOM 689 N SER A 41 8.956 -6.825 8.148 1.00 54.10 N ATOM 690 CA SER A 41 8.914 -5.362 8.029 1.00 73.45 C ATOM 691 C SER A 41 8.584 -4.706 9.379 1.00 2.35 C ATOM 692 O SER A 41 9.279 -3.796 9.827 1.00 52.42 O ATOM 693 CB SER A 41 7.879 -4.937 6.980 1.00 62.11 C ATOM 694 OG SER A 41 7.820 -3.524 6.852 1.00 50.34 O ATOM 0 H SER A 41 8.323 -7.316 7.516 1.00 54.10 H new ATOM 0 HA SER A 41 9.902 -5.027 7.713 1.00 73.45 H new ATOM 0 HB2 SER A 41 8.132 -5.381 6.017 1.00 62.11 H new ATOM 0 HB3 SER A 41 6.897 -5.320 7.260 1.00 62.11 H new ATOM 0 HG SER A 41 7.153 -3.284 6.175 1.00 50.34 H new ATOM 863 N ALA A 51 12.569 6.800 7.485 1.00 65.04 N ATOM 864 CA ALA A 51 11.764 7.044 6.283 1.00 50.33 C ATOM 865 C ALA A 51 11.694 5.799 5.380 1.00 21.23 C ATOM 866 O ALA A 51 12.558 5.581 4.529 1.00 34.35 O ATOM 867 CB ALA A 51 12.320 8.237 5.513 1.00 41.24 C ATOM 0 HA ALA A 51 10.747 7.270 6.602 1.00 50.33 H new ATOM 0 HB1 ALA A 51 11.715 8.409 4.623 1.00 41.24 H new ATOM 0 HB2 ALA A 51 12.294 9.123 6.147 1.00 41.24 H new ATOM 0 HB3 ALA A 51 13.349 8.032 5.218 1.00 41.24 H new ATOM 873 N THR A 52 10.677 4.968 5.594 1.00 21.25 N ATOM 874 CA THR A 52 10.486 3.737 4.809 1.00 2.34 C ATOM 875 C THR A 52 8.996 3.407 4.633 1.00 43.01 C ATOM 876 O THR A 52 8.261 3.284 5.609 1.00 64.54 O ATOM 877 CB THR A 52 11.195 2.524 5.471 1.00 65.22 C ATOM 878 OG1 THR A 52 12.617 2.744 5.517 1.00 55.03 O ATOM 879 CG2 THR A 52 10.912 1.228 4.713 1.00 0.31 C ATOM 0 H THR A 52 9.965 5.121 6.308 1.00 21.25 H new ATOM 0 HA THR A 52 10.930 3.922 3.831 1.00 2.34 H new ATOM 0 HB THR A 52 10.802 2.427 6.483 1.00 65.22 H new ATOM 0 HG1 THR A 52 13.054 1.974 5.938 1.00 55.03 H new ATOM 0 HG21 THR A 52 11.424 0.400 5.204 1.00 0.31 H new ATOM 0 HG22 THR A 52 9.839 1.038 4.705 1.00 0.31 H new ATOM 0 HG23 THR A 52 11.271 1.320 3.688 1.00 0.31 H new ATOM 887 N ILE A 53 8.563 3.258 3.382 1.00 45.31 N ATOM 888 CA ILE A 53 7.172 2.902 3.073 1.00 30.11 C ATOM 889 C ILE A 53 7.059 1.424 2.663 1.00 35.41 C ATOM 890 O ILE A 53 7.830 0.939 1.830 1.00 40.31 O ATOM 891 CB ILE A 53 6.604 3.791 1.934 1.00 5.31 C ATOM 892 CG1 ILE A 53 6.708 5.280 2.310 1.00 34.34 C ATOM 893 CG2 ILE A 53 5.154 3.410 1.622 1.00 74.54 C ATOM 894 CD1 ILE A 53 6.182 6.227 1.246 1.00 42.22 C ATOM 0 H ILE A 53 9.155 3.378 2.560 1.00 45.31 H new ATOM 0 HA ILE A 53 6.590 3.069 3.979 1.00 30.11 H new ATOM 0 HB ILE A 53 7.199 3.622 1.037 1.00 5.31 H new ATOM 0 HG12 ILE A 53 6.158 5.449 3.236 1.00 34.34 H new ATOM 0 HG13 ILE A 53 7.752 5.521 2.511 1.00 34.34 H new ATOM 0 HG21 ILE A 53 4.775 4.045 0.821 1.00 74.54 H new ATOM 0 HG22 ILE A 53 5.111 2.367 1.309 1.00 74.54 H new ATOM 0 HG23 ILE A 53 4.542 3.547 2.514 1.00 74.54 H new ATOM 0 HD11 ILE A 53 6.291 7.256 1.589 1.00 42.22 H new ATOM 0 HD12 ILE A 53 6.748 6.089 0.324 1.00 42.22 H new ATOM 0 HD13 ILE A 53 5.129 6.017 1.060 1.00 42.22 H new ATOM 906 N VAL A 54 6.096 0.713 3.247 1.00 2.33 N ATOM 907 CA VAL A 54 5.891 -0.710 2.946 1.00 33.32 C ATOM 908 C VAL A 54 4.905 -0.905 1.778 1.00 71.33 C ATOM 909 O VAL A 54 3.792 -0.377 1.786 1.00 10.54 O ATOM 910 CB VAL A 54 5.394 -1.485 4.199 1.00 34.14 C ATOM 911 CG1 VAL A 54 4.113 -0.871 4.763 1.00 53.01 C ATOM 912 CG2 VAL A 54 5.191 -2.965 3.880 1.00 71.35 C ATOM 0 H VAL A 54 5.444 1.095 3.932 1.00 2.33 H new ATOM 0 HA VAL A 54 6.858 -1.115 2.648 1.00 33.32 H new ATOM 0 HB VAL A 54 6.166 -1.404 4.964 1.00 34.14 H new ATOM 0 HG11 VAL A 54 3.793 -1.437 5.638 1.00 53.01 H new ATOM 0 HG12 VAL A 54 4.301 0.164 5.049 1.00 53.01 H new ATOM 0 HG13 VAL A 54 3.330 -0.902 4.005 1.00 53.01 H new ATOM 0 HG21 VAL A 54 4.843 -3.485 4.773 1.00 71.35 H new ATOM 0 HG22 VAL A 54 4.449 -3.068 3.088 1.00 71.35 H new ATOM 0 HG23 VAL A 54 6.135 -3.399 3.552 1.00 71.35 H new ATOM 922 N VAL A 55 5.326 -1.669 0.768 1.00 32.44 N ATOM 923 CA VAL A 55 4.499 -1.914 -0.420 1.00 1.42 C ATOM 924 C VAL A 55 4.207 -3.413 -0.608 1.00 34.23 C ATOM 925 O VAL A 55 5.109 -4.209 -0.880 1.00 54.43 O ATOM 926 CB VAL A 55 5.175 -1.365 -1.705 1.00 33.34 C ATOM 927 CG1 VAL A 55 4.248 -1.518 -2.913 1.00 52.25 C ATOM 928 CG2 VAL A 55 5.597 0.092 -1.520 1.00 44.03 C ATOM 0 H VAL A 55 6.236 -2.130 0.747 1.00 32.44 H new ATOM 0 HA VAL A 55 3.559 -1.387 -0.256 1.00 1.42 H new ATOM 0 HB VAL A 55 6.074 -1.952 -1.892 1.00 33.34 H new ATOM 0 HG11 VAL A 55 4.742 -1.127 -3.802 1.00 52.25 H new ATOM 0 HG12 VAL A 55 4.015 -2.572 -3.061 1.00 52.25 H new ATOM 0 HG13 VAL A 55 3.326 -0.964 -2.737 1.00 52.25 H new ATOM 0 HG21 VAL A 55 6.068 0.453 -2.434 1.00 44.03 H new ATOM 0 HG22 VAL A 55 4.719 0.700 -1.299 1.00 44.03 H new ATOM 0 HG23 VAL A 55 6.305 0.164 -0.694 1.00 44.03 H new ATOM 938 N VAL A 56 2.942 -3.786 -0.455 1.00 2.41 N ATOM 939 CA VAL A 56 2.502 -5.169 -0.633 1.00 61.54 C ATOM 940 C VAL A 56 2.042 -5.434 -2.081 1.00 5.20 C ATOM 941 O VAL A 56 1.017 -4.913 -2.531 1.00 21.43 O ATOM 942 CB VAL A 56 1.341 -5.505 0.338 1.00 12.34 C ATOM 943 CG1 VAL A 56 0.893 -6.957 0.171 1.00 72.30 C ATOM 944 CG2 VAL A 56 1.745 -5.222 1.787 1.00 1.13 C ATOM 0 H VAL A 56 2.192 -3.142 -0.205 1.00 2.41 H new ATOM 0 HA VAL A 56 3.358 -5.808 -0.414 1.00 61.54 H new ATOM 0 HB VAL A 56 0.497 -4.862 0.090 1.00 12.34 H new ATOM 0 HG11 VAL A 56 0.078 -7.168 0.863 1.00 72.30 H new ATOM 0 HG12 VAL A 56 0.552 -7.117 -0.852 1.00 72.30 H new ATOM 0 HG13 VAL A 56 1.730 -7.623 0.382 1.00 72.30 H new ATOM 0 HG21 VAL A 56 0.915 -5.465 2.450 1.00 1.13 H new ATOM 0 HG22 VAL A 56 2.610 -5.832 2.049 1.00 1.13 H new ATOM 0 HG23 VAL A 56 1.999 -4.167 1.895 1.00 1.13 H new ATOM 954 N VAL A 57 2.810 -6.237 -2.810 1.00 73.43 N ATOM 955 CA VAL A 57 2.434 -6.649 -4.166 1.00 10.35 C ATOM 956 C VAL A 57 1.545 -7.901 -4.107 1.00 24.43 C ATOM 957 O VAL A 57 1.984 -8.967 -3.665 1.00 53.42 O ATOM 958 CB VAL A 57 3.683 -6.941 -5.037 1.00 14.41 C ATOM 959 CG1 VAL A 57 3.277 -7.286 -6.470 1.00 40.14 C ATOM 960 CG2 VAL A 57 4.648 -5.753 -5.011 1.00 2.42 C ATOM 0 H VAL A 57 3.699 -6.618 -2.487 1.00 73.43 H new ATOM 0 HA VAL A 57 1.883 -5.827 -4.623 1.00 10.35 H new ATOM 0 HB VAL A 57 4.198 -7.805 -4.618 1.00 14.41 H new ATOM 0 HG11 VAL A 57 4.169 -7.487 -7.063 1.00 40.14 H new ATOM 0 HG12 VAL A 57 2.638 -8.169 -6.465 1.00 40.14 H new ATOM 0 HG13 VAL A 57 2.733 -6.448 -6.906 1.00 40.14 H new ATOM 0 HG21 VAL A 57 5.518 -5.977 -5.628 1.00 2.42 H new ATOM 0 HG22 VAL A 57 4.146 -4.868 -5.400 1.00 2.42 H new ATOM 0 HG23 VAL A 57 4.968 -5.567 -3.986 1.00 2.42 H new ATOM 970 N VAL A 58 0.293 -7.774 -4.542 1.00 62.04 N ATOM 971 CA VAL A 58 -0.679 -8.864 -4.386 1.00 51.13 C ATOM 972 C VAL A 58 -0.906 -9.659 -5.683 1.00 63.12 C ATOM 973 O VAL A 58 -1.059 -9.095 -6.769 1.00 50.11 O ATOM 974 CB VAL A 58 -2.036 -8.342 -3.849 1.00 50.31 C ATOM 975 CG1 VAL A 58 -1.855 -7.702 -2.474 1.00 21.32 C ATOM 976 CG2 VAL A 58 -2.678 -7.359 -4.824 1.00 50.42 C ATOM 0 H VAL A 58 -0.073 -6.940 -5.000 1.00 62.04 H new ATOM 0 HA VAL A 58 -0.241 -9.545 -3.656 1.00 51.13 H new ATOM 0 HB VAL A 58 -2.709 -9.194 -3.749 1.00 50.31 H new ATOM 0 HG11 VAL A 58 -2.817 -7.341 -2.111 1.00 21.32 H new ATOM 0 HG12 VAL A 58 -1.459 -8.441 -1.778 1.00 21.32 H new ATOM 0 HG13 VAL A 58 -1.159 -6.867 -2.550 1.00 21.32 H new ATOM 0 HG21 VAL A 58 -3.628 -7.012 -4.418 1.00 50.42 H new ATOM 0 HG22 VAL A 58 -2.014 -6.508 -4.972 1.00 50.42 H new ATOM 0 HG23 VAL A 58 -2.851 -7.855 -5.779 1.00 50.42 H new ATOM 986 N ASP A 59 -0.911 -10.984 -5.549 1.00 61.02 N ATOM 987 CA ASP A 59 -1.184 -11.892 -6.669 1.00 2.02 C ATOM 988 C ASP A 59 -2.632 -12.417 -6.632 1.00 52.40 C ATOM 989 O ASP A 59 -3.199 -12.783 -7.664 1.00 73.12 O ATOM 990 CB ASP A 59 -0.189 -13.057 -6.632 1.00 31.21 C ATOM 991 CG ASP A 59 -0.129 -13.710 -5.262 1.00 32.23 C ATOM 992 OD1 ASP A 59 0.575 -13.178 -4.375 1.00 4.31 O ATOM 993 OD2 ASP A 59 -0.802 -14.741 -5.055 1.00 74.14 O ATOM 0 H ASP A 59 -0.727 -11.460 -4.666 1.00 61.02 H new ATOM 0 HA ASP A 59 -1.064 -11.339 -7.600 1.00 2.02 H new ATOM 0 HB2 ASP A 59 -0.474 -13.801 -7.376 1.00 31.21 H new ATOM 0 HB3 ASP A 59 0.802 -12.696 -6.905 1.00 31.21 H new ATOM 998 N ASP A 60 -3.228 -12.450 -5.440 1.00 0.43 N ATOM 999 CA ASP A 60 -4.606 -12.928 -5.277 1.00 53.34 C ATOM 1000 C ASP A 60 -5.401 -12.035 -4.307 1.00 11.32 C ATOM 1001 O ASP A 60 -4.829 -11.398 -3.418 1.00 62.41 O ATOM 1002 CB ASP A 60 -4.601 -14.378 -4.777 1.00 33.13 C ATOM 1003 CG ASP A 60 -5.991 -14.993 -4.752 1.00 54.30 C ATOM 1004 OD1 ASP A 60 -6.456 -15.464 -5.812 1.00 70.21 O ATOM 1005 OD2 ASP A 60 -6.627 -15.002 -3.679 1.00 63.11 O ATOM 0 H ASP A 60 -2.781 -12.152 -4.573 1.00 0.43 H new ATOM 0 HA ASP A 60 -5.096 -12.882 -6.250 1.00 53.34 H new ATOM 0 HB2 ASP A 60 -3.954 -14.977 -5.418 1.00 33.13 H new ATOM 0 HB3 ASP A 60 -4.175 -14.411 -3.774 1.00 33.13 H new ATOM 1010 N LYS A 61 -6.724 -12.012 -4.484 1.00 61.24 N ATOM 1011 CA LYS A 61 -7.624 -11.220 -3.633 1.00 70.23 C ATOM 1012 C LYS A 61 -7.455 -11.568 -2.142 1.00 24.24 C ATOM 1013 O LYS A 61 -7.439 -10.683 -1.287 1.00 52.02 O ATOM 1014 CB LYS A 61 -9.085 -11.445 -4.060 1.00 74.23 C ATOM 1015 CG LYS A 61 -9.555 -12.888 -3.897 1.00 70.40 C ATOM 1016 CD LYS A 61 -10.996 -13.084 -4.360 1.00 71.35 C ATOM 1017 CE LYS A 61 -11.473 -14.506 -4.096 1.00 43.13 C ATOM 1018 NZ LYS A 61 -12.840 -14.743 -4.622 1.00 15.43 N ATOM 0 H LYS A 61 -7.202 -12.537 -5.216 1.00 61.24 H new ATOM 0 HA LYS A 61 -7.362 -10.170 -3.762 1.00 70.23 H new ATOM 0 HB2 LYS A 61 -9.731 -10.793 -3.472 1.00 74.23 H new ATOM 0 HB3 LYS A 61 -9.199 -11.150 -5.103 1.00 74.23 H new ATOM 0 HG2 LYS A 61 -8.900 -13.548 -4.466 1.00 70.40 H new ATOM 0 HG3 LYS A 61 -9.469 -13.180 -2.850 1.00 70.40 H new ATOM 0 HD2 LYS A 61 -11.646 -12.378 -3.843 1.00 71.35 H new ATOM 0 HD3 LYS A 61 -11.071 -12.865 -5.425 1.00 71.35 H new ATOM 0 HE2 LYS A 61 -10.781 -15.211 -4.556 1.00 43.13 H new ATOM 0 HE3 LYS A 61 -11.459 -14.699 -3.023 1.00 43.13 H new ATOM 0 HZ1 LYS A 61 -13.124 -15.723 -4.421 1.00 15.43 H new ATOM 0 HZ2 LYS A 61 -13.506 -14.088 -4.165 1.00 15.43 H new ATOM 0 HZ3 LYS A 61 -12.849 -14.584 -5.650 1.00 15.43 H new ATOM 1032 N GLU A 62 -7.311 -12.861 -1.842 1.00 21.23 N ATOM 1033 CA GLU A 62 -7.171 -13.320 -0.457 1.00 5.03 C ATOM 1034 C GLU A 62 -5.923 -12.723 0.202 1.00 50.43 C ATOM 1035 O GLU A 62 -5.989 -12.204 1.315 1.00 74.21 O ATOM 1036 CB GLU A 62 -7.118 -14.852 -0.402 1.00 44.22 C ATOM 1037 CG GLU A 62 -6.969 -15.412 1.009 1.00 5.05 C ATOM 1038 CD GLU A 62 -6.973 -16.931 1.041 1.00 23.44 C ATOM 1039 OE1 GLU A 62 -5.898 -17.541 0.871 1.00 53.23 O ATOM 1040 OE2 GLU A 62 -8.056 -17.523 1.232 1.00 22.21 O ATOM 0 H GLU A 62 -7.288 -13.607 -2.537 1.00 21.23 H new ATOM 0 HA GLU A 62 -8.044 -12.977 0.098 1.00 5.03 H new ATOM 0 HB2 GLU A 62 -8.028 -15.254 -0.848 1.00 44.22 H new ATOM 0 HB3 GLU A 62 -6.283 -15.200 -1.011 1.00 44.22 H new ATOM 0 HG2 GLU A 62 -6.039 -15.046 1.444 1.00 5.05 H new ATOM 0 HG3 GLU A 62 -7.781 -15.038 1.632 1.00 5.05 H new ATOM 1047 N TRP A 63 -4.787 -12.795 -0.492 1.00 45.22 N ATOM 1048 CA TRP A 63 -3.542 -12.194 0.001 1.00 2.34 C ATOM 1049 C TRP A 63 -3.729 -10.690 0.273 1.00 21.12 C ATOM 1050 O TRP A 63 -3.270 -10.171 1.294 1.00 61.44 O ATOM 1051 CB TRP A 63 -2.397 -12.442 -0.999 1.00 62.25 C ATOM 1052 CG TRP A 63 -1.131 -11.677 -0.707 1.00 72.34 C ATOM 1053 CD1 TRP A 63 -0.340 -11.047 -1.621 1.00 64.30 C ATOM 1054 CD2 TRP A 63 -0.516 -11.454 0.575 1.00 2.33 C ATOM 1055 NE1 TRP A 63 0.717 -10.439 -0.995 1.00 24.51 N ATOM 1056 CE2 TRP A 63 0.633 -10.673 0.352 1.00 34.03 C ATOM 1057 CE3 TRP A 63 -0.826 -11.831 1.889 1.00 52.44 C ATOM 1058 CZ2 TRP A 63 1.467 -10.264 1.386 1.00 45.24 C ATOM 1059 CZ3 TRP A 63 0.004 -11.421 2.914 1.00 40.00 C ATOM 1060 CH2 TRP A 63 1.138 -10.644 2.657 1.00 70.01 C ATOM 0 H TRP A 63 -4.700 -13.262 -1.395 1.00 45.22 H new ATOM 0 HA TRP A 63 -3.278 -12.669 0.946 1.00 2.34 H new ATOM 0 HB2 TRP A 63 -2.167 -13.507 -1.011 1.00 62.25 H new ATOM 0 HB3 TRP A 63 -2.742 -12.179 -1.999 1.00 62.25 H new ATOM 0 HD1 TRP A 63 -0.520 -11.029 -2.686 1.00 64.30 H new ATOM 0 HE1 TRP A 63 1.448 -9.899 -1.458 1.00 24.51 H new ATOM 0 HE3 TRP A 63 -1.699 -12.432 2.096 1.00 52.44 H new ATOM 0 HZ2 TRP A 63 2.345 -9.666 1.192 1.00 45.24 H new ATOM 0 HZ3 TRP A 63 -0.226 -11.705 3.930 1.00 40.00 H new ATOM 0 HH2 TRP A 63 1.767 -10.338 3.480 1.00 70.01 H new ATOM 1071 N ALA A 64 -4.425 -9.999 -0.630 1.00 12.15 N ATOM 1072 CA ALA A 64 -4.750 -8.583 -0.434 1.00 5.12 C ATOM 1073 C ALA A 64 -5.491 -8.365 0.896 1.00 24.43 C ATOM 1074 O ALA A 64 -5.141 -7.483 1.684 1.00 54.21 O ATOM 1075 CB ALA A 64 -5.583 -8.070 -1.604 1.00 22.43 C ATOM 0 H ALA A 64 -4.775 -10.394 -1.503 1.00 12.15 H new ATOM 0 HA ALA A 64 -3.818 -8.019 -0.392 1.00 5.12 H new ATOM 0 HB1 ALA A 64 -5.819 -7.017 -1.449 1.00 22.43 H new ATOM 0 HB2 ALA A 64 -5.018 -8.183 -2.530 1.00 22.43 H new ATOM 0 HB3 ALA A 64 -6.508 -8.643 -1.671 1.00 22.43 H new ATOM 1081 N GLU A 65 -6.505 -9.191 1.144 1.00 44.01 N ATOM 1082 CA GLU A 65 -7.264 -9.129 2.395 1.00 31.32 C ATOM 1083 C GLU A 65 -6.406 -9.543 3.601 1.00 23.51 C ATOM 1084 O GLU A 65 -6.558 -8.994 4.687 1.00 73.22 O ATOM 1085 CB GLU A 65 -8.502 -10.033 2.319 1.00 23.30 C ATOM 1086 CG GLU A 65 -9.486 -9.661 1.216 1.00 2.32 C ATOM 1087 CD GLU A 65 -10.769 -10.472 1.282 1.00 53.15 C ATOM 1088 OE1 GLU A 65 -11.692 -10.072 2.026 1.00 25.42 O ATOM 1089 OE2 GLU A 65 -10.854 -11.527 0.614 1.00 55.31 O ATOM 0 H GLU A 65 -6.822 -9.912 0.496 1.00 44.01 H new ATOM 0 HA GLU A 65 -7.574 -8.093 2.532 1.00 31.32 H new ATOM 0 HB2 GLU A 65 -8.177 -11.062 2.167 1.00 23.30 H new ATOM 0 HB3 GLU A 65 -9.020 -10.001 3.277 1.00 23.30 H new ATOM 0 HG2 GLU A 65 -9.726 -8.600 1.291 1.00 2.32 H new ATOM 0 HG3 GLU A 65 -9.013 -9.813 0.246 1.00 2.32 H new ATOM 1096 N LYS A 66 -5.514 -10.516 3.406 1.00 52.52 N ATOM 1097 CA LYS A 66 -4.650 -11.010 4.491 1.00 4.11 C ATOM 1098 C LYS A 66 -3.686 -9.928 4.993 1.00 4.35 C ATOM 1099 O LYS A 66 -3.471 -9.794 6.199 1.00 1.14 O ATOM 1100 CB LYS A 66 -3.855 -12.245 4.044 1.00 60.44 C ATOM 1101 CG LYS A 66 -4.715 -13.487 3.829 1.00 0.23 C ATOM 1102 CD LYS A 66 -3.865 -14.734 3.583 1.00 4.10 C ATOM 1103 CE LYS A 66 -2.952 -15.045 4.768 1.00 32.10 C ATOM 1104 NZ LYS A 66 -3.718 -15.244 6.029 1.00 3.22 N ATOM 0 H LYS A 66 -5.368 -10.980 2.510 1.00 52.52 H new ATOM 0 HA LYS A 66 -5.308 -11.288 5.315 1.00 4.11 H new ATOM 0 HB2 LYS A 66 -3.331 -12.012 3.117 1.00 60.44 H new ATOM 0 HB3 LYS A 66 -3.094 -12.466 4.793 1.00 60.44 H new ATOM 0 HG2 LYS A 66 -5.348 -13.646 4.702 1.00 0.23 H new ATOM 0 HG3 LYS A 66 -5.378 -13.326 2.979 1.00 0.23 H new ATOM 0 HD2 LYS A 66 -4.517 -15.586 3.394 1.00 4.10 H new ATOM 0 HD3 LYS A 66 -3.261 -14.590 2.687 1.00 4.10 H new ATOM 0 HE2 LYS A 66 -2.371 -15.942 4.552 1.00 32.10 H new ATOM 0 HE3 LYS A 66 -2.241 -14.229 4.901 1.00 32.10 H new ATOM 0 HZ1 LYS A 66 -3.084 -15.616 6.765 1.00 3.22 H new ATOM 0 HZ2 LYS A 66 -4.115 -14.335 6.341 1.00 3.22 H new ATOM 0 HZ3 LYS A 66 -4.491 -15.920 5.863 1.00 3.22 H new ATOM 1118 N ALA A 67 -3.104 -9.167 4.069 1.00 40.11 N ATOM 1119 CA ALA A 67 -2.224 -8.051 4.432 1.00 73.42 C ATOM 1120 C ALA A 67 -2.980 -7.003 5.264 1.00 74.00 C ATOM 1121 O ALA A 67 -2.530 -6.598 6.340 1.00 24.33 O ATOM 1122 CB ALA A 67 -1.633 -7.418 3.177 1.00 23.04 C ATOM 0 H ALA A 67 -3.223 -9.300 3.065 1.00 40.11 H new ATOM 0 HA ALA A 67 -1.410 -8.440 5.044 1.00 73.42 H new ATOM 0 HB1 ALA A 67 -0.982 -6.591 3.459 1.00 23.04 H new ATOM 0 HB2 ALA A 67 -1.056 -8.164 2.630 1.00 23.04 H new ATOM 0 HB3 ALA A 67 -2.438 -7.046 2.543 1.00 23.04 H new ATOM 1128 N ILE A 68 -4.142 -6.584 4.762 1.00 53.32 N ATOM 1129 CA ILE A 68 -5.005 -5.638 5.482 1.00 53.55 C ATOM 1130 C ILE A 68 -5.466 -6.228 6.829 1.00 61.24 C ATOM 1131 O ILE A 68 -5.529 -5.531 7.841 1.00 23.23 O ATOM 1132 CB ILE A 68 -6.255 -5.258 4.639 1.00 12.21 C ATOM 1133 CG1 ILE A 68 -5.840 -4.750 3.245 1.00 71.45 C ATOM 1134 CG2 ILE A 68 -7.106 -4.211 5.364 1.00 73.22 C ATOM 1135 CD1 ILE A 68 -4.919 -3.549 3.270 1.00 55.34 C ATOM 0 H ILE A 68 -4.510 -6.883 3.859 1.00 53.32 H new ATOM 0 HA ILE A 68 -4.414 -4.741 5.664 1.00 53.55 H new ATOM 0 HB ILE A 68 -6.859 -6.156 4.510 1.00 12.21 H new ATOM 0 HG12 ILE A 68 -5.347 -5.560 2.707 1.00 71.45 H new ATOM 0 HG13 ILE A 68 -6.738 -4.494 2.682 1.00 71.45 H new ATOM 0 HG21 ILE A 68 -7.974 -3.962 4.754 1.00 73.22 H new ATOM 0 HG22 ILE A 68 -7.438 -4.612 6.322 1.00 73.22 H new ATOM 0 HG23 ILE A 68 -6.512 -3.313 5.533 1.00 73.22 H new ATOM 0 HD11 ILE A 68 -4.676 -3.256 2.249 1.00 55.34 H new ATOM 0 HD12 ILE A 68 -5.415 -2.721 3.777 1.00 55.34 H new ATOM 0 HD13 ILE A 68 -4.003 -3.804 3.802 1.00 55.34 H new ATOM 1147 N ARG A 69 -5.771 -7.525 6.825 1.00 21.41 N ATOM 1148 CA ARG A 69 -6.240 -8.231 8.025 1.00 61.54 C ATOM 1149 C ARG A 69 -5.132 -8.337 9.086 1.00 14.33 C ATOM 1150 O ARG A 69 -5.403 -8.312 10.291 1.00 45.22 O ATOM 1151 CB ARG A 69 -6.743 -9.633 7.648 1.00 45.43 C ATOM 1152 CG ARG A 69 -7.362 -10.401 8.808 1.00 21.12 C ATOM 1153 CD ARG A 69 -7.877 -11.771 8.376 1.00 60.25 C ATOM 1154 NE ARG A 69 -8.502 -12.488 9.485 1.00 31.23 N ATOM 1155 CZ ARG A 69 -9.200 -13.582 9.354 1.00 34.40 C ATOM 1156 NH1 ARG A 69 -9.392 -14.116 8.190 1.00 21.11 N ATOM 1157 NH2 ARG A 69 -9.714 -14.144 10.394 1.00 20.01 N ATOM 0 H ARG A 69 -5.702 -8.116 5.997 1.00 21.41 H new ATOM 0 HA ARG A 69 -7.060 -7.655 8.453 1.00 61.54 H new ATOM 0 HB2 ARG A 69 -7.481 -9.541 6.851 1.00 45.43 H new ATOM 0 HB3 ARG A 69 -5.911 -10.211 7.246 1.00 45.43 H new ATOM 0 HG2 ARG A 69 -6.621 -10.525 9.598 1.00 21.12 H new ATOM 0 HG3 ARG A 69 -8.183 -9.821 9.230 1.00 21.12 H new ATOM 0 HD2 ARG A 69 -8.599 -11.650 7.568 1.00 60.25 H new ATOM 0 HD3 ARG A 69 -7.051 -12.362 7.980 1.00 60.25 H new ATOM 0 HE ARG A 69 -8.385 -12.108 10.424 1.00 31.23 H new ATOM 0 HH11 ARG A 69 -8.995 -13.681 7.357 1.00 21.11 H new ATOM 0 HH12 ARG A 69 -9.940 -14.972 8.106 1.00 21.11 H new ATOM 0 HH21 ARG A 69 -9.575 -13.733 11.317 1.00 20.01 H new ATOM 0 HH22 ARG A 69 -10.260 -15.000 10.294 1.00 20.01 H new ATOM 1171 N PHE A 70 -3.884 -8.461 8.638 1.00 50.51 N ATOM 1172 CA PHE A 70 -2.739 -8.497 9.551 1.00 11.14 C ATOM 1173 C PHE A 70 -2.608 -7.149 10.279 1.00 24.42 C ATOM 1174 O PHE A 70 -2.453 -7.095 11.500 1.00 32.44 O ATOM 1175 CB PHE A 70 -1.448 -8.823 8.778 1.00 63.41 C ATOM 1176 CG PHE A 70 -0.283 -9.218 9.659 1.00 61.20 C ATOM 1177 CD1 PHE A 70 0.517 -8.256 10.257 1.00 35.30 C ATOM 1178 CD2 PHE A 70 0.004 -10.559 9.889 1.00 74.43 C ATOM 1179 CE1 PHE A 70 1.579 -8.621 11.064 1.00 51.25 C ATOM 1180 CE2 PHE A 70 1.065 -10.927 10.694 1.00 65.33 C ATOM 1181 CZ PHE A 70 1.852 -9.958 11.283 1.00 64.23 C ATOM 0 H PHE A 70 -3.638 -8.538 7.651 1.00 50.51 H new ATOM 0 HA PHE A 70 -2.900 -9.280 10.292 1.00 11.14 H new ATOM 0 HB2 PHE A 70 -1.651 -9.633 8.078 1.00 63.41 H new ATOM 0 HB3 PHE A 70 -1.163 -7.954 8.185 1.00 63.41 H new ATOM 0 HD1 PHE A 70 0.308 -7.210 10.091 1.00 35.30 H new ATOM 0 HD2 PHE A 70 -0.610 -11.322 9.433 1.00 74.43 H new ATOM 0 HE1 PHE A 70 2.195 -7.862 11.523 1.00 51.25 H new ATOM 0 HE2 PHE A 70 1.278 -11.972 10.862 1.00 65.33 H new ATOM 0 HZ PHE A 70 2.680 -10.244 11.914 1.00 64.23 H new ATOM 1191 N VAL A 71 -2.696 -6.061 9.510 1.00 62.31 N ATOM 1192 CA VAL A 71 -2.688 -4.705 10.070 1.00 3.23 C ATOM 1193 C VAL A 71 -3.935 -4.463 10.942 1.00 73.35 C ATOM 1194 O VAL A 71 -3.880 -3.761 11.955 1.00 21.00 O ATOM 1195 CB VAL A 71 -2.622 -3.636 8.949 1.00 42.32 C ATOM 1196 CG1 VAL A 71 -2.545 -2.227 9.538 1.00 52.35 C ATOM 1197 CG2 VAL A 71 -1.438 -3.900 8.017 1.00 31.33 C ATOM 0 H VAL A 71 -2.774 -6.092 8.493 1.00 62.31 H new ATOM 0 HA VAL A 71 -1.797 -4.615 10.692 1.00 3.23 H new ATOM 0 HB VAL A 71 -3.539 -3.706 8.364 1.00 42.32 H new ATOM 0 HG11 VAL A 71 -2.500 -1.497 8.730 1.00 52.35 H new ATOM 0 HG12 VAL A 71 -3.429 -2.039 10.148 1.00 52.35 H new ATOM 0 HG13 VAL A 71 -1.652 -2.140 10.157 1.00 52.35 H new ATOM 0 HG21 VAL A 71 -1.411 -3.138 7.238 1.00 31.33 H new ATOM 0 HG22 VAL A 71 -0.511 -3.867 8.589 1.00 31.33 H new ATOM 0 HG23 VAL A 71 -1.548 -4.883 7.559 1.00 31.33 H new ATOM 1207 N LYS A 72 -5.053 -5.058 10.537 1.00 51.10 N ATOM 1208 CA LYS A 72 -6.305 -4.977 11.297 1.00 45.43 C ATOM 1209 C LYS A 72 -6.138 -5.559 12.711 1.00 30.42 C ATOM 1210 O LYS A 72 -6.699 -5.042 13.680 1.00 13.42 O ATOM 1211 CB LYS A 72 -7.417 -5.721 10.538 1.00 41.52 C ATOM 1212 CG LYS A 72 -8.812 -5.576 11.144 1.00 52.03 C ATOM 1213 CD LYS A 72 -9.225 -4.111 11.270 1.00 21.03 C ATOM 1214 CE LYS A 72 -10.718 -3.958 11.536 1.00 42.21 C ATOM 1215 NZ LYS A 72 -11.180 -4.765 12.696 1.00 14.43 N ATOM 0 H LYS A 72 -5.121 -5.607 9.680 1.00 51.10 H new ATOM 0 HA LYS A 72 -6.579 -3.927 11.403 1.00 45.43 H new ATOM 0 HB2 LYS A 72 -7.443 -5.358 9.511 1.00 41.52 H new ATOM 0 HB3 LYS A 72 -7.163 -6.780 10.495 1.00 41.52 H new ATOM 0 HG2 LYS A 72 -9.535 -6.106 10.523 1.00 52.03 H new ATOM 0 HG3 LYS A 72 -8.832 -6.045 12.128 1.00 52.03 H new ATOM 0 HD2 LYS A 72 -8.663 -3.645 12.079 1.00 21.03 H new ATOM 0 HD3 LYS A 72 -8.964 -3.581 10.354 1.00 21.03 H new ATOM 0 HE2 LYS A 72 -10.945 -2.907 11.716 1.00 42.21 H new ATOM 0 HE3 LYS A 72 -11.274 -4.256 10.647 1.00 42.21 H new ATOM 0 HZ1 LYS A 72 -12.172 -4.535 12.906 1.00 14.43 H new ATOM 0 HZ2 LYS A 72 -11.100 -5.777 12.469 1.00 14.43 H new ATOM 0 HZ3 LYS A 72 -10.591 -4.549 13.526 1.00 14.43 H new ATOM 1229 N SER A 73 -5.353 -6.631 12.823 1.00 71.10 N ATOM 1230 CA SER A 73 -5.061 -7.251 14.125 1.00 3.04 C ATOM 1231 C SER A 73 -4.258 -6.304 15.028 1.00 73.51 C ATOM 1232 O SER A 73 -4.384 -6.343 16.253 1.00 75.21 O ATOM 1233 CB SER A 73 -4.286 -8.564 13.943 1.00 71.14 C ATOM 1234 OG SER A 73 -4.009 -9.177 15.193 1.00 61.30 O ATOM 0 H SER A 73 -4.906 -7.091 12.030 1.00 71.10 H new ATOM 0 HA SER A 73 -6.017 -7.462 14.604 1.00 3.04 H new ATOM 0 HB2 SER A 73 -4.864 -9.247 13.321 1.00 71.14 H new ATOM 0 HB3 SER A 73 -3.352 -8.367 13.417 1.00 71.14 H new ATOM 0 HG SER A 73 -3.516 -10.011 15.046 1.00 61.30 H new ATOM 1240 N LEU A 74 -3.438 -5.449 14.419 1.00 64.13 N ATOM 1241 CA LEU A 74 -2.650 -4.461 15.168 1.00 33.22 C ATOM 1242 C LEU A 74 -3.562 -3.467 15.910 1.00 30.24 C ATOM 1243 O LEU A 74 -3.292 -3.090 17.054 1.00 24.44 O ATOM 1244 CB LEU A 74 -1.712 -3.695 14.222 1.00 71.14 C ATOM 1245 CG LEU A 74 -0.730 -4.563 13.417 1.00 72.01 C ATOM 1246 CD1 LEU A 74 0.075 -3.700 12.448 1.00 53.11 C ATOM 1247 CD2 LEU A 74 0.196 -5.341 14.349 1.00 12.54 C ATOM 0 H LEU A 74 -3.299 -5.417 13.409 1.00 64.13 H new ATOM 0 HA LEU A 74 -2.056 -5.001 15.905 1.00 33.22 H new ATOM 0 HB2 LEU A 74 -2.320 -3.121 13.523 1.00 71.14 H new ATOM 0 HB3 LEU A 74 -1.139 -2.978 14.809 1.00 71.14 H new ATOM 0 HG LEU A 74 -1.306 -5.284 12.837 1.00 72.01 H new ATOM 0 HD11 LEU A 74 0.765 -4.330 11.887 1.00 53.11 H new ATOM 0 HD12 LEU A 74 -0.603 -3.199 11.757 1.00 53.11 H new ATOM 0 HD13 LEU A 74 0.639 -2.954 13.008 1.00 53.11 H new ATOM 0 HD21 LEU A 74 0.882 -5.948 13.757 1.00 12.54 H new ATOM 0 HD22 LEU A 74 0.766 -4.643 14.962 1.00 12.54 H new ATOM 0 HD23 LEU A 74 -0.398 -5.989 14.994 1.00 12.54 H new ATOM 1259 N GLY A 75 -4.646 -3.058 15.251 1.00 50.34 N ATOM 1260 CA GLY A 75 -5.601 -2.129 15.856 1.00 61.42 C ATOM 1261 C GLY A 75 -5.101 -0.686 15.896 1.00 12.31 C ATOM 1262 O GLY A 75 -5.127 -0.036 16.943 1.00 1.01 O ATOM 0 H GLY A 75 -4.884 -3.353 14.304 1.00 50.34 H new ATOM 0 HA2 GLY A 75 -6.536 -2.166 15.298 1.00 61.42 H new ATOM 0 HA3 GLY A 75 -5.823 -2.457 16.871 1.00 61.42 H new ATOM 1266 N ALA A 76 -4.652 -0.180 14.749 1.00 72.35 N ATOM 1267 CA ALA A 76 -4.143 1.193 14.653 1.00 21.21 C ATOM 1268 C ALA A 76 -4.593 1.869 13.351 1.00 15.30 C ATOM 1269 O ALA A 76 -4.933 1.198 12.373 1.00 52.51 O ATOM 1270 CB ALA A 76 -2.622 1.197 14.757 1.00 61.52 C ATOM 0 H ALA A 76 -4.629 -0.698 13.871 1.00 72.35 H new ATOM 0 HA ALA A 76 -4.558 1.765 15.483 1.00 21.21 H new ATOM 0 HB1 ALA A 76 -2.255 2.221 14.685 1.00 61.52 H new ATOM 0 HB2 ALA A 76 -2.322 0.771 15.714 1.00 61.52 H new ATOM 0 HB3 ALA A 76 -2.200 0.602 13.947 1.00 61.52 H new ATOM 1276 N GLN A 77 -4.604 3.200 13.344 1.00 40.41 N ATOM 1277 CA GLN A 77 -4.981 3.962 12.147 1.00 71.13 C ATOM 1278 C GLN A 77 -3.778 4.165 11.208 1.00 4.33 C ATOM 1279 O GLN A 77 -2.754 4.726 11.599 1.00 30.31 O ATOM 1280 CB GLN A 77 -5.597 5.318 12.539 1.00 54.44 C ATOM 1281 CG GLN A 77 -4.663 6.237 13.326 1.00 53.41 C ATOM 1282 CD GLN A 77 -5.340 7.520 13.782 1.00 70.41 C ATOM 1283 OE1 GLN A 77 -6.270 8.013 13.146 1.00 35.32 O ATOM 1284 NE2 GLN A 77 -4.877 8.076 14.882 1.00 31.31 N ATOM 0 H GLN A 77 -4.358 3.776 14.149 1.00 40.41 H new ATOM 0 HA GLN A 77 -5.730 3.383 11.607 1.00 71.13 H new ATOM 0 HB2 GLN A 77 -5.914 5.834 11.633 1.00 54.44 H new ATOM 0 HB3 GLN A 77 -6.493 5.137 13.133 1.00 54.44 H new ATOM 0 HG2 GLN A 77 -4.285 5.702 14.197 1.00 53.41 H new ATOM 0 HG3 GLN A 77 -3.801 6.487 12.707 1.00 53.41 H new ATOM 0 HE21 GLN A 77 -4.104 7.642 15.387 1.00 31.31 H new ATOM 0 HE22 GLN A 77 -5.291 8.941 15.230 1.00 31.31 H new ATOM 1293 N VAL A 78 -3.907 3.688 9.970 1.00 64.43 N ATOM 1294 CA VAL A 78 -2.846 3.829 8.964 1.00 54.33 C ATOM 1295 C VAL A 78 -3.421 4.243 7.600 1.00 60.34 C ATOM 1296 O VAL A 78 -4.577 3.951 7.286 1.00 24.34 O ATOM 1297 CB VAL A 78 -2.034 2.514 8.789 1.00 41.30 C ATOM 1298 CG1 VAL A 78 -1.367 2.096 10.101 1.00 13.03 C ATOM 1299 CG2 VAL A 78 -2.918 1.389 8.248 1.00 40.51 C ATOM 0 H VAL A 78 -4.737 3.199 9.636 1.00 64.43 H new ATOM 0 HA VAL A 78 -2.179 4.610 9.330 1.00 54.33 H new ATOM 0 HB VAL A 78 -1.248 2.707 8.059 1.00 41.30 H new ATOM 0 HG11 VAL A 78 -0.807 1.174 9.947 1.00 13.03 H new ATOM 0 HG12 VAL A 78 -0.688 2.882 10.430 1.00 13.03 H new ATOM 0 HG13 VAL A 78 -2.131 1.934 10.862 1.00 13.03 H new ATOM 0 HG21 VAL A 78 -2.324 0.482 8.136 1.00 40.51 H new ATOM 0 HG22 VAL A 78 -3.737 1.203 8.943 1.00 40.51 H new ATOM 0 HG23 VAL A 78 -3.324 1.679 7.279 1.00 40.51 H new ATOM 1309 N LEU A 79 -2.608 4.923 6.797 1.00 12.42 N ATOM 1310 CA LEU A 79 -3.016 5.330 5.449 1.00 61.00 C ATOM 1311 C LEU A 79 -2.705 4.201 4.452 1.00 74.44 C ATOM 1312 O LEU A 79 -1.560 3.772 4.340 1.00 73.04 O ATOM 1313 CB LEU A 79 -2.275 6.626 5.057 1.00 42.41 C ATOM 1314 CG LEU A 79 -2.953 7.518 3.993 1.00 63.14 C ATOM 1315 CD1 LEU A 79 -3.172 6.773 2.678 1.00 42.53 C ATOM 1316 CD2 LEU A 79 -4.271 8.077 4.521 1.00 64.11 C ATOM 0 H LEU A 79 -1.662 5.206 7.053 1.00 12.42 H new ATOM 0 HA LEU A 79 -4.089 5.522 5.430 1.00 61.00 H new ATOM 0 HB2 LEU A 79 -2.131 7.221 5.958 1.00 42.41 H new ATOM 0 HB3 LEU A 79 -1.284 6.355 4.692 1.00 42.41 H new ATOM 0 HG LEU A 79 -2.278 8.348 3.787 1.00 63.14 H new ATOM 0 HD11 LEU A 79 -3.651 7.437 1.959 1.00 42.53 H new ATOM 0 HD12 LEU A 79 -2.211 6.442 2.283 1.00 42.53 H new ATOM 0 HD13 LEU A 79 -3.810 5.907 2.853 1.00 42.53 H new ATOM 0 HD21 LEU A 79 -4.733 8.702 3.757 1.00 64.11 H new ATOM 0 HD22 LEU A 79 -4.941 7.254 4.771 1.00 64.11 H new ATOM 0 HD23 LEU A 79 -4.082 8.674 5.413 1.00 64.11 H new ATOM 1328 N ILE A 80 -3.719 3.718 3.735 1.00 4.23 N ATOM 1329 CA ILE A 80 -3.528 2.616 2.779 1.00 53.03 C ATOM 1330 C ILE A 80 -3.874 3.037 1.341 1.00 53.21 C ATOM 1331 O ILE A 80 -5.006 3.416 1.046 1.00 12.51 O ATOM 1332 CB ILE A 80 -4.376 1.378 3.172 1.00 42.55 C ATOM 1333 CG1 ILE A 80 -3.993 0.896 4.583 1.00 65.42 C ATOM 1334 CG2 ILE A 80 -4.197 0.253 2.145 1.00 72.31 C ATOM 1335 CD1 ILE A 80 -4.777 -0.310 5.056 1.00 62.23 C ATOM 0 H ILE A 80 -4.676 4.066 3.793 1.00 4.23 H new ATOM 0 HA ILE A 80 -2.471 2.353 2.817 1.00 53.03 H new ATOM 0 HB ILE A 80 -5.428 1.664 3.179 1.00 42.55 H new ATOM 0 HG12 ILE A 80 -2.930 0.654 4.597 1.00 65.42 H new ATOM 0 HG13 ILE A 80 -4.143 1.713 5.288 1.00 65.42 H new ATOM 0 HG21 ILE A 80 -4.800 -0.607 2.438 1.00 72.31 H new ATOM 0 HG22 ILE A 80 -4.517 0.602 1.163 1.00 72.31 H new ATOM 0 HG23 ILE A 80 -3.147 -0.037 2.103 1.00 72.31 H new ATOM 0 HD11 ILE A 80 -4.449 -0.587 6.058 1.00 62.23 H new ATOM 0 HD12 ILE A 80 -5.840 -0.068 5.077 1.00 62.23 H new ATOM 0 HD13 ILE A 80 -4.608 -1.144 4.375 1.00 62.23 H new ATOM 1347 N ILE A 81 -2.890 2.968 0.450 1.00 62.13 N ATOM 1348 CA ILE A 81 -3.092 3.299 -0.965 1.00 22.22 C ATOM 1349 C ILE A 81 -3.151 2.027 -1.826 1.00 73.53 C ATOM 1350 O ILE A 81 -2.332 1.127 -1.671 1.00 25.01 O ATOM 1351 CB ILE A 81 -1.955 4.208 -1.497 1.00 10.13 C ATOM 1352 CG1 ILE A 81 -1.815 5.465 -0.619 1.00 64.42 C ATOM 1353 CG2 ILE A 81 -2.210 4.592 -2.956 1.00 53.12 C ATOM 1354 CD1 ILE A 81 -0.702 6.398 -1.052 1.00 54.41 C ATOM 0 H ILE A 81 -1.938 2.685 0.680 1.00 62.13 H new ATOM 0 HA ILE A 81 -4.041 3.831 -1.035 1.00 22.22 H new ATOM 0 HB ILE A 81 -1.019 3.652 -1.451 1.00 10.13 H new ATOM 0 HG12 ILE A 81 -2.758 6.011 -0.631 1.00 64.42 H new ATOM 0 HG13 ILE A 81 -1.638 5.158 0.412 1.00 64.42 H new ATOM 0 HG21 ILE A 81 -1.401 5.230 -3.311 1.00 53.12 H new ATOM 0 HG22 ILE A 81 -2.256 3.690 -3.567 1.00 53.12 H new ATOM 0 HG23 ILE A 81 -3.155 5.129 -3.031 1.00 53.12 H new ATOM 0 HD11 ILE A 81 -0.668 7.259 -0.384 1.00 54.41 H new ATOM 0 HD12 ILE A 81 0.251 5.870 -1.013 1.00 54.41 H new ATOM 0 HD13 ILE A 81 -0.887 6.737 -2.071 1.00 54.41 H new ATOM 1366 N ILE A 82 -4.123 1.959 -2.732 1.00 74.41 N ATOM 1367 CA ILE A 82 -4.272 0.808 -3.631 1.00 62.22 C ATOM 1368 C ILE A 82 -4.167 1.231 -5.107 1.00 70.21 C ATOM 1369 O ILE A 82 -4.838 2.168 -5.547 1.00 43.31 O ATOM 1370 CB ILE A 82 -5.621 0.080 -3.398 1.00 60.41 C ATOM 1371 CG1 ILE A 82 -5.700 -0.455 -1.957 1.00 52.24 C ATOM 1372 CG2 ILE A 82 -5.802 -1.056 -4.404 1.00 25.43 C ATOM 1373 CD1 ILE A 82 -6.983 -1.202 -1.643 1.00 4.04 C ATOM 0 H ILE A 82 -4.824 2.688 -2.867 1.00 74.41 H new ATOM 0 HA ILE A 82 -3.457 0.122 -3.402 1.00 62.22 H new ATOM 0 HB ILE A 82 -6.429 0.797 -3.545 1.00 60.41 H new ATOM 0 HG12 ILE A 82 -4.853 -1.118 -1.780 1.00 52.24 H new ATOM 0 HG13 ILE A 82 -5.600 0.381 -1.265 1.00 52.24 H new ATOM 0 HG21 ILE A 82 -6.755 -1.554 -4.223 1.00 25.43 H new ATOM 0 HG22 ILE A 82 -5.790 -0.651 -5.416 1.00 25.43 H new ATOM 0 HG23 ILE A 82 -4.990 -1.774 -4.291 1.00 25.43 H new ATOM 0 HD11 ILE A 82 -6.960 -1.546 -0.609 1.00 4.04 H new ATOM 0 HD12 ILE A 82 -7.835 -0.537 -1.785 1.00 4.04 H new ATOM 0 HD13 ILE A 82 -7.077 -2.060 -2.309 1.00 4.04 H new ATOM 1385 N TYR A 83 -3.325 0.528 -5.863 1.00 62.44 N ATOM 1386 CA TYR A 83 -3.107 0.827 -7.284 1.00 62.23 C ATOM 1387 C TYR A 83 -3.634 -0.300 -8.187 1.00 44.50 C ATOM 1388 O TYR A 83 -3.240 -1.462 -8.046 1.00 24.23 O ATOM 1389 CB TYR A 83 -1.608 1.044 -7.545 1.00 55.41 C ATOM 1390 CG TYR A 83 -1.250 1.326 -9.001 1.00 55.21 C ATOM 1391 CD1 TYR A 83 -1.042 0.286 -9.904 1.00 13.31 C ATOM 1392 CD2 TYR A 83 -1.100 2.631 -9.465 1.00 55.40 C ATOM 1393 CE1 TYR A 83 -0.707 0.538 -11.220 1.00 54.31 C ATOM 1394 CE2 TYR A 83 -0.767 2.888 -10.781 1.00 42.12 C ATOM 1395 CZ TYR A 83 -0.568 1.839 -11.654 1.00 43.51 C ATOM 1396 OH TYR A 83 -0.230 2.090 -12.966 1.00 72.41 O ATOM 0 H TYR A 83 -2.777 -0.259 -5.515 1.00 62.44 H new ATOM 0 HA TYR A 83 -3.660 1.735 -7.524 1.00 62.23 H new ATOM 0 HB2 TYR A 83 -1.263 1.877 -6.932 1.00 55.41 H new ATOM 0 HB3 TYR A 83 -1.064 0.159 -7.216 1.00 55.41 H new ATOM 0 HD1 TYR A 83 -1.145 -0.736 -9.569 1.00 13.31 H new ATOM 0 HD2 TYR A 83 -1.247 3.456 -8.784 1.00 55.40 H new ATOM 0 HE1 TYR A 83 -0.554 -0.281 -11.907 1.00 54.31 H new ATOM 0 HE2 TYR A 83 -0.663 3.907 -11.125 1.00 42.12 H new ATOM 0 HH TYR A 83 -0.898 2.684 -13.368 1.00 72.41 H new ATOM 1406 N ASP A 84 -4.507 0.062 -9.124 1.00 1.32 N ATOM 1407 CA ASP A 84 -5.020 -0.880 -10.125 1.00 61.20 C ATOM 1408 C ASP A 84 -5.406 -0.136 -11.416 1.00 11.40 C ATOM 1409 O ASP A 84 -5.537 1.088 -11.423 1.00 55.45 O ATOM 1410 CB ASP A 84 -6.214 -1.668 -9.568 1.00 45.04 C ATOM 1411 CG ASP A 84 -6.687 -2.743 -10.530 1.00 44.22 C ATOM 1412 OD1 ASP A 84 -5.883 -3.638 -10.863 1.00 4.14 O ATOM 1413 OD2 ASP A 84 -7.851 -2.687 -10.976 1.00 53.25 O ATOM 0 H ASP A 84 -4.878 1.008 -9.214 1.00 1.32 H new ATOM 0 HA ASP A 84 -4.230 -1.592 -10.365 1.00 61.20 H new ATOM 0 HB2 ASP A 84 -5.934 -2.128 -8.620 1.00 45.04 H new ATOM 0 HB3 ASP A 84 -7.035 -0.982 -9.359 1.00 45.04 H new ATOM 1418 N GLN A 85 -5.567 -0.877 -12.512 1.00 74.01 N ATOM 1419 CA GLN A 85 -5.840 -0.275 -13.825 1.00 14.43 C ATOM 1420 C GLN A 85 -7.334 -0.328 -14.201 1.00 20.14 C ATOM 1421 O GLN A 85 -7.717 0.088 -15.296 1.00 21.43 O ATOM 1422 CB GLN A 85 -4.989 -0.975 -14.894 1.00 23.12 C ATOM 1423 CG GLN A 85 -3.486 -0.810 -14.676 1.00 45.11 C ATOM 1424 CD GLN A 85 -3.014 0.625 -14.870 1.00 11.13 C ATOM 1425 OE1 GLN A 85 -2.599 1.012 -15.958 1.00 52.44 O ATOM 1426 NE2 GLN A 85 -3.101 1.431 -13.830 1.00 22.13 N ATOM 0 H GLN A 85 -5.514 -1.896 -12.521 1.00 74.01 H new ATOM 0 HA GLN A 85 -5.571 0.780 -13.770 1.00 14.43 H new ATOM 0 HB2 GLN A 85 -5.233 -2.037 -14.904 1.00 23.12 H new ATOM 0 HB3 GLN A 85 -5.252 -0.578 -15.875 1.00 23.12 H new ATOM 0 HG2 GLN A 85 -3.232 -1.138 -13.668 1.00 45.11 H new ATOM 0 HG3 GLN A 85 -2.950 -1.460 -15.367 1.00 45.11 H new ATOM 0 HE21 GLN A 85 -3.450 1.078 -12.939 1.00 22.13 H new ATOM 0 HE22 GLN A 85 -2.819 2.407 -13.917 1.00 22.13 H new ATOM 1435 N ASP A 86 -8.172 -0.832 -13.299 1.00 31.15 N ATOM 1436 CA ASP A 86 -9.623 -0.857 -13.513 1.00 52.12 C ATOM 1437 C ASP A 86 -10.345 0.054 -12.504 1.00 63.52 C ATOM 1438 O ASP A 86 -9.771 0.464 -11.497 1.00 3.14 O ATOM 1439 CB ASP A 86 -10.141 -2.299 -13.407 1.00 13.52 C ATOM 1440 CG ASP A 86 -11.649 -2.403 -13.588 1.00 54.24 C ATOM 1441 OD1 ASP A 86 -12.182 -1.792 -14.539 1.00 12.04 O ATOM 1442 OD2 ASP A 86 -12.305 -3.090 -12.781 1.00 25.15 O ATOM 0 H ASP A 86 -7.873 -1.231 -12.409 1.00 31.15 H new ATOM 0 HA ASP A 86 -9.833 -0.478 -14.513 1.00 52.12 H new ATOM 0 HB2 ASP A 86 -9.647 -2.913 -14.160 1.00 13.52 H new ATOM 0 HB3 ASP A 86 -9.868 -2.707 -12.434 1.00 13.52 H new ATOM 1447 N GLN A 87 -11.604 0.385 -12.788 1.00 74.22 N ATOM 1448 CA GLN A 87 -12.408 1.204 -11.877 1.00 21.04 C ATOM 1449 C GLN A 87 -13.286 0.331 -10.971 1.00 4.01 C ATOM 1450 O GLN A 87 -13.279 0.476 -9.750 1.00 63.35 O ATOM 1451 CB GLN A 87 -13.302 2.173 -12.664 1.00 13.33 C ATOM 1452 CG GLN A 87 -12.543 3.102 -13.600 1.00 75.44 C ATOM 1453 CD GLN A 87 -13.428 4.199 -14.164 1.00 31.31 C ATOM 1454 OE1 GLN A 87 -13.541 5.278 -13.587 1.00 32.22 O ATOM 1455 NE2 GLN A 87 -14.073 3.935 -15.280 1.00 14.30 N ATOM 0 H GLN A 87 -12.090 0.100 -13.639 1.00 74.22 H new ATOM 0 HA GLN A 87 -11.716 1.772 -11.256 1.00 21.04 H new ATOM 0 HB2 GLN A 87 -14.020 1.595 -13.247 1.00 13.33 H new ATOM 0 HB3 GLN A 87 -13.875 2.775 -11.959 1.00 13.33 H new ATOM 0 HG2 GLN A 87 -11.708 3.552 -13.063 1.00 75.44 H new ATOM 0 HG3 GLN A 87 -12.120 2.522 -14.420 1.00 75.44 H new ATOM 0 HE21 GLN A 87 -13.957 3.029 -15.734 1.00 14.30 H new ATOM 0 HE22 GLN A 87 -14.689 4.636 -15.691 1.00 14.30 H new ATOM 1464 N ASN A 88 -14.030 -0.590 -11.585 1.00 34.04 N ATOM 1465 CA ASN A 88 -15.022 -1.399 -10.866 1.00 51.42 C ATOM 1466 C ASN A 88 -14.376 -2.240 -9.749 1.00 53.30 C ATOM 1467 O ASN A 88 -14.708 -2.088 -8.570 1.00 64.10 O ATOM 1468 CB ASN A 88 -15.765 -2.311 -11.857 1.00 32.50 C ATOM 1469 CG ASN A 88 -17.005 -2.940 -11.251 1.00 12.23 C ATOM 1470 OD1 ASN A 88 -17.648 -2.360 -10.384 1.00 62.34 O ATOM 1471 ND2 ASN A 88 -17.357 -4.125 -11.704 1.00 75.33 N ATOM 0 H ASN A 88 -13.966 -0.797 -12.582 1.00 34.04 H new ATOM 0 HA ASN A 88 -15.730 -0.719 -10.393 1.00 51.42 H new ATOM 0 HB2 ASN A 88 -16.048 -1.732 -12.736 1.00 32.50 H new ATOM 0 HB3 ASN A 88 -15.091 -3.098 -12.197 1.00 32.50 H new ATOM 0 HD21 ASN A 88 -18.187 -4.587 -11.332 1.00 75.33 H new ATOM 0 HD22 ASN A 88 -16.800 -4.581 -12.427 1.00 75.33 H new ATOM 1478 N ARG A 89 -13.444 -3.112 -10.125 1.00 11.14 N ATOM 1479 CA ARG A 89 -12.765 -3.994 -9.166 1.00 3.11 C ATOM 1480 C ARG A 89 -11.985 -3.187 -8.114 1.00 43.21 C ATOM 1481 O ARG A 89 -12.049 -3.478 -6.916 1.00 24.30 O ATOM 1482 CB ARG A 89 -11.815 -4.943 -9.911 1.00 61.34 C ATOM 1483 CG ARG A 89 -11.170 -6.009 -9.030 1.00 43.32 C ATOM 1484 CD ARG A 89 -12.211 -6.917 -8.376 1.00 5.32 C ATOM 1485 NE ARG A 89 -11.592 -8.000 -7.613 1.00 51.44 N ATOM 1486 CZ ARG A 89 -12.106 -8.536 -6.540 1.00 53.42 C ATOM 1487 NH1 ARG A 89 -13.240 -8.125 -6.068 1.00 73.33 N ATOM 1488 NH2 ARG A 89 -11.483 -9.492 -5.939 1.00 52.24 N ATOM 0 H ARG A 89 -13.137 -3.231 -11.091 1.00 11.14 H new ATOM 0 HA ARG A 89 -13.526 -4.575 -8.645 1.00 3.11 H new ATOM 0 HB2 ARG A 89 -12.367 -5.436 -10.711 1.00 61.34 H new ATOM 0 HB3 ARG A 89 -11.028 -4.354 -10.382 1.00 61.34 H new ATOM 0 HG2 ARG A 89 -10.489 -6.612 -9.630 1.00 43.32 H new ATOM 0 HG3 ARG A 89 -10.572 -5.527 -8.257 1.00 43.32 H new ATOM 0 HD2 ARG A 89 -12.845 -6.325 -7.716 1.00 5.32 H new ATOM 0 HD3 ARG A 89 -12.858 -7.339 -9.145 1.00 5.32 H new ATOM 0 HE ARG A 89 -10.697 -8.361 -7.942 1.00 51.44 H new ATOM 0 HH11 ARG A 89 -13.744 -7.372 -6.536 1.00 73.33 H new ATOM 0 HH12 ARG A 89 -13.629 -8.554 -5.228 1.00 73.33 H new ATOM 0 HH21 ARG A 89 -10.591 -9.827 -6.303 1.00 52.24 H new ATOM 0 HH22 ARG A 89 -11.882 -9.913 -5.100 1.00 52.24 H new ATOM 1502 N LEU A 90 -11.255 -2.177 -8.580 1.00 73.43 N ATOM 1503 CA LEU A 90 -10.469 -1.297 -7.705 1.00 13.25 C ATOM 1504 C LEU A 90 -11.339 -0.641 -6.617 1.00 0.05 C ATOM 1505 O LEU A 90 -11.035 -0.732 -5.423 1.00 11.14 O ATOM 1506 CB LEU A 90 -9.776 -0.217 -8.551 1.00 35.50 C ATOM 1507 CG LEU A 90 -8.986 0.855 -7.776 1.00 14.14 C ATOM 1508 CD1 LEU A 90 -7.869 0.228 -6.946 1.00 3.32 C ATOM 1509 CD2 LEU A 90 -8.424 1.900 -8.738 1.00 71.12 C ATOM 0 H LEU A 90 -11.188 -1.942 -9.570 1.00 73.43 H new ATOM 0 HA LEU A 90 -9.721 -1.907 -7.199 1.00 13.25 H new ATOM 0 HB2 LEU A 90 -9.094 -0.710 -9.244 1.00 35.50 H new ATOM 0 HB3 LEU A 90 -10.534 0.285 -9.153 1.00 35.50 H new ATOM 0 HG LEU A 90 -9.672 1.349 -7.088 1.00 14.14 H new ATOM 0 HD11 LEU A 90 -7.330 1.010 -6.411 1.00 3.32 H new ATOM 0 HD12 LEU A 90 -8.298 -0.473 -6.229 1.00 3.32 H new ATOM 0 HD13 LEU A 90 -7.180 -0.302 -7.604 1.00 3.32 H new ATOM 0 HD21 LEU A 90 -7.868 2.651 -8.176 1.00 71.12 H new ATOM 0 HD22 LEU A 90 -7.759 1.416 -9.453 1.00 71.12 H new ATOM 0 HD23 LEU A 90 -9.243 2.380 -9.273 1.00 71.12 H new ATOM 1521 N GLU A 91 -12.428 0.010 -7.031 1.00 61.02 N ATOM 1522 CA GLU A 91 -13.307 0.713 -6.089 1.00 2.35 C ATOM 1523 C GLU A 91 -14.108 -0.258 -5.206 1.00 24.43 C ATOM 1524 O GLU A 91 -14.350 0.031 -4.033 1.00 4.15 O ATOM 1525 CB GLU A 91 -14.252 1.669 -6.834 1.00 1.11 C ATOM 1526 CG GLU A 91 -13.532 2.842 -7.494 1.00 42.41 C ATOM 1527 CD GLU A 91 -14.487 3.907 -8.013 1.00 54.01 C ATOM 1528 OE1 GLU A 91 -14.981 4.717 -7.195 1.00 42.53 O ATOM 1529 OE2 GLU A 91 -14.736 3.953 -9.235 1.00 32.52 O ATOM 0 H GLU A 91 -12.723 0.066 -8.006 1.00 61.02 H new ATOM 0 HA GLU A 91 -12.665 1.297 -5.429 1.00 2.35 H new ATOM 0 HB2 GLU A 91 -14.795 1.110 -7.596 1.00 1.11 H new ATOM 0 HB3 GLU A 91 -14.993 2.055 -6.134 1.00 1.11 H new ATOM 0 HG2 GLU A 91 -12.849 3.293 -6.775 1.00 42.41 H new ATOM 0 HG3 GLU A 91 -12.926 2.471 -8.320 1.00 42.41 H new ATOM 1536 N GLU A 92 -14.503 -1.407 -5.762 1.00 45.35 N ATOM 1537 CA GLU A 92 -15.246 -2.427 -5.000 1.00 25.43 C ATOM 1538 C GLU A 92 -14.517 -2.796 -3.698 1.00 72.33 C ATOM 1539 O GLU A 92 -15.067 -2.666 -2.598 1.00 1.23 O ATOM 1540 CB GLU A 92 -15.441 -3.701 -5.837 1.00 4.33 C ATOM 1541 CG GLU A 92 -16.247 -4.784 -5.118 1.00 11.12 C ATOM 1542 CD GLU A 92 -16.126 -6.151 -5.772 1.00 12.21 C ATOM 1543 OE1 GLU A 92 -16.658 -6.336 -6.887 1.00 15.34 O ATOM 1544 OE2 GLU A 92 -15.504 -7.052 -5.170 1.00 70.20 O ATOM 0 H GLU A 92 -14.323 -1.658 -6.734 1.00 45.35 H new ATOM 0 HA GLU A 92 -16.217 -1.997 -4.755 1.00 25.43 H new ATOM 0 HB2 GLU A 92 -15.945 -3.441 -6.768 1.00 4.33 H new ATOM 0 HB3 GLU A 92 -14.464 -4.104 -6.105 1.00 4.33 H new ATOM 0 HG2 GLU A 92 -15.911 -4.852 -4.083 1.00 11.12 H new ATOM 0 HG3 GLU A 92 -17.297 -4.491 -5.094 1.00 11.12 H new ATOM 1551 N PHE A 93 -13.273 -3.251 -3.834 1.00 53.32 N ATOM 1552 CA PHE A 93 -12.454 -3.630 -2.679 1.00 71.44 C ATOM 1553 C PHE A 93 -12.200 -2.418 -1.768 1.00 13.14 C ATOM 1554 O PHE A 93 -12.131 -2.543 -0.544 1.00 61.34 O ATOM 1555 CB PHE A 93 -11.126 -4.237 -3.160 1.00 50.24 C ATOM 1556 CG PHE A 93 -10.284 -4.831 -2.058 1.00 64.41 C ATOM 1557 CD1 PHE A 93 -10.782 -5.856 -1.263 1.00 72.54 C ATOM 1558 CD2 PHE A 93 -8.994 -4.375 -1.822 1.00 3.04 C ATOM 1559 CE1 PHE A 93 -10.011 -6.410 -0.259 1.00 12.21 C ATOM 1560 CE2 PHE A 93 -8.221 -4.926 -0.818 1.00 43.42 C ATOM 1561 CZ PHE A 93 -8.731 -5.945 -0.035 1.00 23.13 C ATOM 0 H PHE A 93 -12.807 -3.367 -4.734 1.00 53.32 H new ATOM 0 HA PHE A 93 -12.993 -4.377 -2.097 1.00 71.44 H new ATOM 0 HB2 PHE A 93 -11.339 -5.011 -3.897 1.00 50.24 H new ATOM 0 HB3 PHE A 93 -10.548 -3.464 -3.667 1.00 50.24 H new ATOM 0 HD1 PHE A 93 -11.783 -6.224 -1.432 1.00 72.54 H new ATOM 0 HD2 PHE A 93 -8.590 -3.580 -2.431 1.00 3.04 H new ATOM 0 HE1 PHE A 93 -10.410 -7.207 0.351 1.00 12.21 H new ATOM 0 HE2 PHE A 93 -7.219 -4.561 -0.645 1.00 43.42 H new ATOM 0 HZ PHE A 93 -8.129 -6.376 0.751 1.00 23.13 H new ATOM 1571 N SER A 94 -12.087 -1.241 -2.375 1.00 0.24 N ATOM 1572 CA SER A 94 -11.889 0.009 -1.625 1.00 41.10 C ATOM 1573 C SER A 94 -13.052 0.294 -0.660 1.00 14.41 C ATOM 1574 O SER A 94 -12.835 0.716 0.477 1.00 73.12 O ATOM 1575 CB SER A 94 -11.733 1.189 -2.593 1.00 45.24 C ATOM 1576 OG SER A 94 -11.559 2.413 -1.897 1.00 4.01 O ATOM 0 H SER A 94 -12.128 -1.119 -3.387 1.00 0.24 H new ATOM 0 HA SER A 94 -10.981 -0.112 -1.034 1.00 41.10 H new ATOM 0 HB2 SER A 94 -10.877 1.015 -3.245 1.00 45.24 H new ATOM 0 HB3 SER A 94 -12.613 1.255 -3.233 1.00 45.24 H new ATOM 0 HG SER A 94 -11.461 3.145 -2.541 1.00 4.01 H new ATOM 1582 N ARG A 95 -14.286 0.050 -1.117 1.00 44.43 N ATOM 1583 CA ARG A 95 -15.487 0.303 -0.302 1.00 15.20 C ATOM 1584 C ARG A 95 -15.406 -0.409 1.057 1.00 53.43 C ATOM 1585 O ARG A 95 -15.700 0.173 2.105 1.00 50.32 O ATOM 1586 CB ARG A 95 -16.754 -0.179 -1.030 1.00 3.45 C ATOM 1587 CG ARG A 95 -16.941 0.381 -2.436 1.00 3.30 C ATOM 1588 CD ARG A 95 -16.984 1.905 -2.460 1.00 73.34 C ATOM 1589 NE ARG A 95 -17.317 2.411 -3.790 1.00 44.04 N ATOM 1590 CZ ARG A 95 -16.561 3.203 -4.495 1.00 21.52 C ATOM 1591 NH1 ARG A 95 -15.403 3.580 -4.054 1.00 31.31 N ATOM 1592 NH2 ARG A 95 -16.971 3.617 -5.646 1.00 10.13 N ATOM 0 H ARG A 95 -14.482 -0.322 -2.046 1.00 44.43 H new ATOM 0 HA ARG A 95 -15.537 1.380 -0.141 1.00 15.20 H new ATOM 0 HB2 ARG A 95 -16.730 -1.267 -1.089 1.00 3.45 H new ATOM 0 HB3 ARG A 95 -17.624 0.088 -0.430 1.00 3.45 H new ATOM 0 HG2 ARG A 95 -16.127 0.034 -3.072 1.00 3.30 H new ATOM 0 HG3 ARG A 95 -17.866 -0.011 -2.859 1.00 3.30 H new ATOM 0 HD2 ARG A 95 -17.721 2.261 -1.739 1.00 73.34 H new ATOM 0 HD3 ARG A 95 -16.017 2.302 -2.150 1.00 73.34 H new ATOM 0 HE ARG A 95 -18.207 2.123 -4.196 1.00 44.04 H new ATOM 0 HH11 ARG A 95 -15.074 3.256 -3.145 1.00 31.31 H new ATOM 0 HH12 ARG A 95 -14.821 4.201 -4.616 1.00 31.31 H new ATOM 0 HH21 ARG A 95 -17.882 3.324 -5.998 1.00 10.13 H new ATOM 0 HH22 ARG A 95 -16.384 4.238 -6.204 1.00 10.13 H new ATOM 1606 N GLU A 96 -15.008 -1.677 1.030 1.00 74.05 N ATOM 1607 CA GLU A 96 -14.949 -2.493 2.245 1.00 2.33 C ATOM 1608 C GLU A 96 -13.699 -2.203 3.087 1.00 25.50 C ATOM 1609 O GLU A 96 -13.791 -2.114 4.307 1.00 70.43 O ATOM 1610 CB GLU A 96 -15.031 -3.981 1.895 1.00 72.24 C ATOM 1611 CG GLU A 96 -13.973 -4.446 0.908 1.00 31.14 C ATOM 1612 CD GLU A 96 -14.124 -5.911 0.553 1.00 14.33 C ATOM 1613 OE1 GLU A 96 -13.583 -6.758 1.293 1.00 33.11 O ATOM 1614 OE2 GLU A 96 -14.810 -6.220 -0.447 1.00 55.24 O ATOM 0 H GLU A 96 -14.721 -2.165 0.182 1.00 74.05 H new ATOM 0 HA GLU A 96 -15.811 -2.223 2.855 1.00 2.33 H new ATOM 0 HB2 GLU A 96 -14.939 -4.564 2.811 1.00 72.24 H new ATOM 0 HB3 GLU A 96 -16.017 -4.192 1.481 1.00 72.24 H new ATOM 0 HG2 GLU A 96 -14.037 -3.846 0.000 1.00 31.14 H new ATOM 0 HG3 GLU A 96 -12.983 -4.277 1.333 1.00 31.14 H new ATOM 1621 N VAL A 97 -12.532 -2.053 2.447 1.00 13.32 N ATOM 1622 CA VAL A 97 -11.301 -1.702 3.176 1.00 40.12 C ATOM 1623 C VAL A 97 -11.521 -0.451 4.038 1.00 12.32 C ATOM 1624 O VAL A 97 -11.098 -0.389 5.195 1.00 15.25 O ATOM 1625 CB VAL A 97 -10.105 -1.466 2.217 1.00 75.44 C ATOM 1626 CG1 VAL A 97 -8.869 -0.986 2.983 1.00 14.43 C ATOM 1627 CG2 VAL A 97 -9.788 -2.740 1.437 1.00 4.41 C ATOM 0 H VAL A 97 -12.412 -2.167 1.440 1.00 13.32 H new ATOM 0 HA VAL A 97 -11.059 -2.549 3.817 1.00 40.12 H new ATOM 0 HB VAL A 97 -10.388 -0.685 1.511 1.00 75.44 H new ATOM 0 HG11 VAL A 97 -8.047 -0.829 2.285 1.00 14.43 H new ATOM 0 HG12 VAL A 97 -9.097 -0.049 3.492 1.00 14.43 H new ATOM 0 HG13 VAL A 97 -8.582 -1.738 3.718 1.00 14.43 H new ATOM 0 HG21 VAL A 97 -8.946 -2.558 0.769 1.00 4.41 H new ATOM 0 HG22 VAL A 97 -9.532 -3.539 2.133 1.00 4.41 H new ATOM 0 HG23 VAL A 97 -10.659 -3.034 0.852 1.00 4.41 H new ATOM 1637 N ARG A 98 -12.213 0.533 3.466 1.00 34.22 N ATOM 1638 CA ARG A 98 -12.614 1.730 4.207 1.00 74.33 C ATOM 1639 C ARG A 98 -13.514 1.336 5.391 1.00 62.42 C ATOM 1640 O ARG A 98 -13.286 1.748 6.528 1.00 72.30 O ATOM 1641 CB ARG A 98 -13.355 2.701 3.264 1.00 1.53 C ATOM 1642 CG ARG A 98 -13.307 4.176 3.678 1.00 20.33 C ATOM 1643 CD ARG A 98 -14.036 4.461 4.990 1.00 73.42 C ATOM 1644 NE ARG A 98 -15.414 3.967 4.988 1.00 74.53 N ATOM 1645 CZ ARG A 98 -16.397 4.502 4.308 1.00 1.42 C ATOM 1646 NH1 ARG A 98 -16.201 5.533 3.548 1.00 53.00 N ATOM 1647 NH2 ARG A 98 -17.584 4.002 4.401 1.00 21.13 N ATOM 0 H ARG A 98 -12.509 0.526 2.490 1.00 34.22 H new ATOM 0 HA ARG A 98 -11.727 2.229 4.597 1.00 74.33 H new ATOM 0 HB2 ARG A 98 -12.930 2.607 2.265 1.00 1.53 H new ATOM 0 HB3 ARG A 98 -14.398 2.393 3.198 1.00 1.53 H new ATOM 0 HG2 ARG A 98 -12.266 4.485 3.774 1.00 20.33 H new ATOM 0 HG3 ARG A 98 -13.748 4.783 2.887 1.00 20.33 H new ATOM 0 HD2 ARG A 98 -13.490 3.999 5.812 1.00 73.42 H new ATOM 0 HD3 ARG A 98 -14.040 5.535 5.173 1.00 73.42 H new ATOM 0 HE ARG A 98 -15.624 3.147 5.557 1.00 74.53 H new ATOM 0 HH11 ARG A 98 -15.269 5.941 3.472 1.00 53.00 H new ATOM 0 HH12 ARG A 98 -16.978 5.937 3.026 1.00 53.00 H new ATOM 0 HH21 ARG A 98 -17.752 3.195 5.002 1.00 21.13 H new ATOM 0 HH22 ARG A 98 -18.354 4.414 3.874 1.00 21.13 H new ATOM 1661 N ARG A 99 -14.522 0.508 5.109 1.00 14.44 N ATOM 1662 CA ARG A 99 -15.483 0.059 6.125 1.00 25.42 C ATOM 1663 C ARG A 99 -14.813 -0.770 7.241 1.00 75.25 C ATOM 1664 O ARG A 99 -15.341 -0.868 8.350 1.00 23.31 O ATOM 1665 CB ARG A 99 -16.601 -0.761 5.461 1.00 41.41 C ATOM 1666 CG ARG A 99 -17.752 -1.120 6.399 1.00 64.14 C ATOM 1667 CD ARG A 99 -18.453 0.125 6.933 1.00 20.04 C ATOM 1668 NE ARG A 99 -19.532 -0.199 7.861 1.00 75.11 N ATOM 1669 CZ ARG A 99 -20.475 0.635 8.205 1.00 40.12 C ATOM 1670 NH1 ARG A 99 -20.495 1.838 7.727 1.00 32.35 N ATOM 1671 NH2 ARG A 99 -21.390 0.270 9.039 1.00 14.34 N ATOM 0 H ARG A 99 -14.697 0.131 4.178 1.00 14.44 H new ATOM 0 HA ARG A 99 -15.904 0.950 6.591 1.00 25.42 H new ATOM 0 HB2 ARG A 99 -16.997 -0.198 4.616 1.00 41.41 H new ATOM 0 HB3 ARG A 99 -16.174 -1.680 5.059 1.00 41.41 H new ATOM 0 HG2 ARG A 99 -18.472 -1.744 5.870 1.00 64.14 H new ATOM 0 HG3 ARG A 99 -17.372 -1.710 7.233 1.00 64.14 H new ATOM 0 HD2 ARG A 99 -17.725 0.762 7.435 1.00 20.04 H new ATOM 0 HD3 ARG A 99 -18.856 0.698 6.098 1.00 20.04 H new ATOM 0 HE ARG A 99 -19.550 -1.135 8.266 1.00 75.11 H new ATOM 0 HH11 ARG A 99 -19.770 2.140 7.076 1.00 32.35 H new ATOM 0 HH12 ARG A 99 -21.236 2.483 8.001 1.00 32.35 H new ATOM 0 HH21 ARG A 99 -21.377 -0.672 9.431 1.00 14.34 H new ATOM 0 HH22 ARG A 99 -22.126 0.923 9.307 1.00 14.34 H new ATOM 1685 N ARG A 100 -13.658 -1.372 6.946 1.00 61.41 N ATOM 1686 CA ARG A 100 -12.912 -2.141 7.953 1.00 1.32 C ATOM 1687 C ARG A 100 -12.275 -1.208 8.998 1.00 54.32 C ATOM 1688 O ARG A 100 -11.993 -1.616 10.124 1.00 22.42 O ATOM 1689 CB ARG A 100 -11.829 -3.010 7.288 1.00 14.21 C ATOM 1690 CG ARG A 100 -12.368 -3.974 6.231 1.00 73.12 C ATOM 1691 CD ARG A 100 -11.292 -4.925 5.706 1.00 45.41 C ATOM 1692 NE ARG A 100 -11.762 -5.724 4.568 1.00 4.23 N ATOM 1693 CZ ARG A 100 -11.392 -6.957 4.320 1.00 54.35 C ATOM 1694 NH1 ARG A 100 -10.628 -7.598 5.151 1.00 23.01 N ATOM 1695 NH2 ARG A 100 -11.816 -7.557 3.251 1.00 21.41 N ATOM 0 H ARG A 100 -13.219 -1.344 6.026 1.00 61.41 H new ATOM 0 HA ARG A 100 -13.620 -2.796 8.461 1.00 1.32 H new ATOM 0 HB2 ARG A 100 -11.088 -2.358 6.826 1.00 14.21 H new ATOM 0 HB3 ARG A 100 -11.314 -3.583 8.059 1.00 14.21 H new ATOM 0 HG2 ARG A 100 -13.186 -4.555 6.657 1.00 73.12 H new ATOM 0 HG3 ARG A 100 -12.781 -3.403 5.400 1.00 73.12 H new ATOM 0 HD2 ARG A 100 -10.416 -4.349 5.406 1.00 45.41 H new ATOM 0 HD3 ARG A 100 -10.976 -5.591 6.509 1.00 45.41 H new ATOM 0 HE ARG A 100 -12.423 -5.289 3.925 1.00 4.23 H new ATOM 0 HH11 ARG A 100 -10.310 -7.143 6.006 1.00 23.01 H new ATOM 0 HH12 ARG A 100 -10.346 -8.557 4.949 1.00 23.01 H new ATOM 0 HH21 ARG A 100 -12.436 -7.069 2.605 1.00 21.41 H new ATOM 0 HH22 ARG A 100 -11.529 -8.516 3.057 1.00 21.41 H new ATOM 1709 N GLY A 101 -12.074 0.055 8.623 1.00 34.55 N ATOM 1710 CA GLY A 101 -11.484 1.035 9.535 1.00 23.10 C ATOM 1711 C GLY A 101 -10.125 1.553 9.076 1.00 44.24 C ATOM 1712 O GLY A 101 -9.277 1.909 9.898 1.00 50.11 O ATOM 0 H GLY A 101 -12.309 0.422 7.701 1.00 34.55 H new ATOM 0 HA2 GLY A 101 -12.168 1.877 9.642 1.00 23.10 H new ATOM 0 HA3 GLY A 101 -11.378 0.583 10.521 1.00 23.10 H new ATOM 1716 N PHE A 102 -9.908 1.587 7.761 1.00 62.41 N ATOM 1717 CA PHE A 102 -8.662 2.122 7.191 1.00 21.23 C ATOM 1718 C PHE A 102 -8.946 3.097 6.040 1.00 61.34 C ATOM 1719 O PHE A 102 -9.810 2.846 5.200 1.00 52.21 O ATOM 1720 CB PHE A 102 -7.768 0.980 6.687 1.00 24.31 C ATOM 1721 CG PHE A 102 -7.279 0.058 7.777 1.00 33.31 C ATOM 1722 CD1 PHE A 102 -6.351 0.499 8.708 1.00 20.11 C ATOM 1723 CD2 PHE A 102 -7.740 -1.250 7.866 1.00 64.35 C ATOM 1724 CE1 PHE A 102 -5.890 -0.342 9.701 1.00 21.23 C ATOM 1725 CE2 PHE A 102 -7.281 -2.094 8.859 1.00 31.11 C ATOM 1726 CZ PHE A 102 -6.356 -1.639 9.779 1.00 0.22 C ATOM 0 H PHE A 102 -10.576 1.251 7.067 1.00 62.41 H new ATOM 0 HA PHE A 102 -8.146 2.664 7.983 1.00 21.23 H new ATOM 0 HB2 PHE A 102 -8.322 0.396 5.952 1.00 24.31 H new ATOM 0 HB3 PHE A 102 -6.907 1.406 6.172 1.00 24.31 H new ATOM 0 HD1 PHE A 102 -5.984 1.513 8.656 1.00 20.11 H new ATOM 0 HD2 PHE A 102 -8.465 -1.611 7.151 1.00 64.35 H new ATOM 0 HE1 PHE A 102 -5.165 0.015 10.417 1.00 21.23 H new ATOM 0 HE2 PHE A 102 -7.645 -3.109 8.916 1.00 31.11 H new ATOM 0 HZ PHE A 102 -5.998 -2.297 10.557 1.00 0.22 H new ATOM 1736 N GLU A 103 -8.215 4.212 6.004 1.00 24.44 N ATOM 1737 CA GLU A 103 -8.361 5.189 4.919 1.00 51.31 C ATOM 1738 C GLU A 103 -7.715 4.679 3.625 1.00 4.24 C ATOM 1739 O GLU A 103 -6.503 4.801 3.430 1.00 33.20 O ATOM 1740 CB GLU A 103 -7.752 6.544 5.304 1.00 30.00 C ATOM 1741 CG GLU A 103 -8.490 7.255 6.433 1.00 53.21 C ATOM 1742 CD GLU A 103 -8.028 8.691 6.621 1.00 43.11 C ATOM 1743 OE1 GLU A 103 -8.287 9.522 5.721 1.00 44.10 O ATOM 1744 OE2 GLU A 103 -7.404 8.997 7.662 1.00 72.55 O ATOM 0 H GLU A 103 -7.520 4.462 6.707 1.00 24.44 H new ATOM 0 HA GLU A 103 -9.429 5.323 4.748 1.00 51.31 H new ATOM 0 HB2 GLU A 103 -6.714 6.394 5.600 1.00 30.00 H new ATOM 0 HB3 GLU A 103 -7.743 7.190 4.426 1.00 30.00 H new ATOM 0 HG2 GLU A 103 -9.560 7.246 6.225 1.00 53.21 H new ATOM 0 HG3 GLU A 103 -8.341 6.705 7.362 1.00 53.21 H new ATOM 1751 N VAL A 104 -8.535 4.102 2.751 1.00 12.51 N ATOM 1752 CA VAL A 104 -8.055 3.556 1.480 1.00 42.03 C ATOM 1753 C VAL A 104 -8.133 4.593 0.343 1.00 21.43 C ATOM 1754 O VAL A 104 -9.186 5.178 0.081 1.00 13.14 O ATOM 1755 CB VAL A 104 -8.853 2.287 1.086 1.00 25.53 C ATOM 1756 CG1 VAL A 104 -10.353 2.573 1.038 1.00 50.43 C ATOM 1757 CG2 VAL A 104 -8.361 1.725 -0.247 1.00 24.52 C ATOM 0 H VAL A 104 -9.539 3.999 2.898 1.00 12.51 H new ATOM 0 HA VAL A 104 -7.008 3.290 1.625 1.00 42.03 H new ATOM 0 HB VAL A 104 -8.682 1.533 1.854 1.00 25.53 H new ATOM 0 HG11 VAL A 104 -10.888 1.665 0.759 1.00 50.43 H new ATOM 0 HG12 VAL A 104 -10.691 2.907 2.019 1.00 50.43 H new ATOM 0 HG13 VAL A 104 -10.552 3.352 0.302 1.00 50.43 H new ATOM 0 HG21 VAL A 104 -8.937 0.835 -0.501 1.00 24.52 H new ATOM 0 HG22 VAL A 104 -8.489 2.475 -1.027 1.00 24.52 H new ATOM 0 HG23 VAL A 104 -7.306 1.463 -0.164 1.00 24.52 H new ATOM 1767 N ARG A 105 -7.004 4.810 -0.326 1.00 4.20 N ATOM 1768 CA ARG A 105 -6.915 5.757 -1.442 1.00 2.31 C ATOM 1769 C ARG A 105 -6.640 5.014 -2.757 1.00 21.34 C ATOM 1770 O ARG A 105 -5.650 4.296 -2.874 1.00 4.11 O ATOM 1771 CB ARG A 105 -5.796 6.773 -1.166 1.00 43.15 C ATOM 1772 CG ARG A 105 -5.925 7.474 0.185 1.00 31.12 C ATOM 1773 CD ARG A 105 -7.155 8.371 0.252 1.00 30.01 C ATOM 1774 NE ARG A 105 -7.396 8.866 1.608 1.00 41.23 N ATOM 1775 CZ ARG A 105 -8.005 9.988 1.886 1.00 23.52 C ATOM 1776 NH1 ARG A 105 -8.325 10.818 0.947 1.00 15.34 N ATOM 1777 NH2 ARG A 105 -8.260 10.302 3.115 1.00 23.33 N ATOM 0 H ARG A 105 -6.125 4.338 -0.113 1.00 4.20 H new ATOM 0 HA ARG A 105 -7.865 6.283 -1.536 1.00 2.31 H new ATOM 0 HB2 ARG A 105 -4.834 6.262 -1.210 1.00 43.15 H new ATOM 0 HB3 ARG A 105 -5.795 7.523 -1.957 1.00 43.15 H new ATOM 0 HG2 ARG A 105 -5.979 6.727 0.977 1.00 31.12 H new ATOM 0 HG3 ARG A 105 -5.032 8.071 0.370 1.00 31.12 H new ATOM 0 HD2 ARG A 105 -7.026 9.215 -0.425 1.00 30.01 H new ATOM 0 HD3 ARG A 105 -8.028 7.817 -0.093 1.00 30.01 H new ATOM 0 HE ARG A 105 -7.067 8.297 2.388 1.00 41.23 H new ATOM 0 HH11 ARG A 105 -8.102 10.600 -0.024 1.00 15.34 H new ATOM 0 HH12 ARG A 105 -8.800 11.691 1.178 1.00 15.34 H new ATOM 0 HH21 ARG A 105 -7.985 9.673 3.870 1.00 23.33 H new ATOM 0 HH22 ARG A 105 -8.736 11.179 3.329 1.00 23.33 H new ATOM 1791 N THR A 106 -7.514 5.188 -3.743 1.00 61.43 N ATOM 1792 CA THR A 106 -7.388 4.470 -5.023 1.00 12.42 C ATOM 1793 C THR A 106 -6.700 5.332 -6.090 1.00 61.41 C ATOM 1794 O THR A 106 -7.126 6.456 -6.365 1.00 31.22 O ATOM 1795 CB THR A 106 -8.766 4.017 -5.567 1.00 73.03 C ATOM 1796 OG1 THR A 106 -9.588 5.157 -5.878 1.00 72.25 O ATOM 1797 CG2 THR A 106 -9.484 3.132 -4.555 1.00 74.12 C ATOM 0 H THR A 106 -8.316 5.815 -3.689 1.00 61.43 H new ATOM 0 HA THR A 106 -6.777 3.591 -4.817 1.00 12.42 H new ATOM 0 HB THR A 106 -8.592 3.443 -6.477 1.00 73.03 H new ATOM 0 HG1 THR A 106 -9.034 5.860 -6.277 1.00 72.25 H new ATOM 0 HG21 THR A 106 -10.449 2.826 -4.959 1.00 74.12 H new ATOM 0 HG22 THR A 106 -8.880 2.248 -4.351 1.00 74.12 H new ATOM 0 HG23 THR A 106 -9.638 3.688 -3.630 1.00 74.12 H new ATOM 1805 N VAL A 107 -5.636 4.800 -6.686 1.00 41.33 N ATOM 1806 CA VAL A 107 -4.888 5.513 -7.730 1.00 1.23 C ATOM 1807 C VAL A 107 -4.818 4.698 -9.032 1.00 10.31 C ATOM 1808 O VAL A 107 -4.584 3.486 -9.013 1.00 41.40 O ATOM 1809 CB VAL A 107 -3.452 5.862 -7.258 1.00 33.31 C ATOM 1810 CG1 VAL A 107 -3.493 6.866 -6.106 1.00 22.44 C ATOM 1811 CG2 VAL A 107 -2.694 4.600 -6.849 1.00 1.42 C ATOM 0 H VAL A 107 -5.268 3.875 -6.466 1.00 41.33 H new ATOM 0 HA VAL A 107 -5.429 6.439 -7.927 1.00 1.23 H new ATOM 0 HB VAL A 107 -2.921 6.321 -8.092 1.00 33.31 H new ATOM 0 HG11 VAL A 107 -2.476 7.098 -5.789 1.00 22.44 H new ATOM 0 HG12 VAL A 107 -3.987 7.779 -6.437 1.00 22.44 H new ATOM 0 HG13 VAL A 107 -4.045 6.437 -5.269 1.00 22.44 H new ATOM 0 HG21 VAL A 107 -1.690 4.869 -6.522 1.00 1.42 H new ATOM 0 HG22 VAL A 107 -3.222 4.107 -6.033 1.00 1.42 H new ATOM 0 HG23 VAL A 107 -2.629 3.923 -7.700 1.00 1.42 H new ATOM 1821 N THR A 108 -5.034 5.371 -10.160 1.00 62.13 N ATOM 1822 CA THR A 108 -5.027 4.715 -11.477 1.00 3.45 C ATOM 1823 C THR A 108 -3.674 4.868 -12.191 1.00 23.42 C ATOM 1824 O THR A 108 -3.079 3.883 -12.631 1.00 10.42 O ATOM 1825 CB THR A 108 -6.137 5.285 -12.392 1.00 51.14 C ATOM 1826 OG1 THR A 108 -5.987 6.710 -12.529 1.00 20.42 O ATOM 1827 CG2 THR A 108 -7.523 4.967 -11.835 1.00 32.33 C ATOM 0 H THR A 108 -5.217 6.374 -10.194 1.00 62.13 H new ATOM 0 HA THR A 108 -5.210 3.657 -11.291 1.00 3.45 H new ATOM 0 HB THR A 108 -6.039 4.815 -13.371 1.00 51.14 H new ATOM 0 HG1 THR A 108 -6.694 7.059 -13.111 1.00 20.42 H new ATOM 0 HG21 THR A 108 -8.285 5.379 -12.497 1.00 32.33 H new ATOM 0 HG22 THR A 108 -7.648 3.886 -11.766 1.00 32.33 H new ATOM 0 HG23 THR A 108 -7.627 5.408 -10.844 1.00 32.33 H new ATOM 1835 N SER A 109 -3.192 6.105 -12.311 1.00 62.42 N ATOM 1836 CA SER A 109 -1.913 6.383 -12.992 1.00 64.45 C ATOM 1837 C SER A 109 -0.799 6.710 -11.986 1.00 10.45 C ATOM 1838 O SER A 109 -1.052 7.313 -10.941 1.00 5.32 O ATOM 1839 CB SER A 109 -2.072 7.554 -13.975 1.00 43.34 C ATOM 1840 OG SER A 109 -2.307 8.778 -13.292 1.00 23.23 O ATOM 0 H SER A 109 -3.662 6.934 -11.948 1.00 62.42 H new ATOM 0 HA SER A 109 -1.632 5.482 -13.538 1.00 64.45 H new ATOM 0 HB2 SER A 109 -1.173 7.643 -14.585 1.00 43.34 H new ATOM 0 HB3 SER A 109 -2.900 7.350 -14.655 1.00 43.34 H new ATOM 0 HG SER A 109 -2.402 9.503 -13.944 1.00 23.23 H new ATOM 1846 N PRO A 110 0.462 6.328 -12.294 1.00 1.13 N ATOM 1847 CA PRO A 110 1.624 6.648 -11.440 1.00 53.21 C ATOM 1848 C PRO A 110 1.833 8.164 -11.251 1.00 65.02 C ATOM 1849 O PRO A 110 2.494 8.596 -10.307 1.00 50.24 O ATOM 1850 CB PRO A 110 2.811 6.026 -12.195 1.00 14.24 C ATOM 1851 CG PRO A 110 2.201 4.994 -13.084 1.00 74.01 C ATOM 1852 CD PRO A 110 0.854 5.536 -13.475 1.00 75.15 C ATOM 0 HA PRO A 110 1.495 6.261 -10.429 1.00 53.21 H new ATOM 0 HB2 PRO A 110 3.349 6.777 -12.773 1.00 14.24 H new ATOM 0 HB3 PRO A 110 3.528 5.580 -11.506 1.00 14.24 H new ATOM 0 HG2 PRO A 110 2.822 4.818 -13.962 1.00 74.01 H new ATOM 0 HG3 PRO A 110 2.103 4.040 -12.566 1.00 74.01 H new ATOM 0 HD2 PRO A 110 0.911 6.151 -14.373 1.00 75.15 H new ATOM 0 HD3 PRO A 110 0.141 4.737 -13.681 1.00 75.15 H new ATOM 1860 N ASP A 111 1.285 8.961 -12.168 1.00 42.44 N ATOM 1861 CA ASP A 111 1.300 10.422 -12.044 1.00 74.01 C ATOM 1862 C ASP A 111 0.289 10.888 -10.980 1.00 42.20 C ATOM 1863 O ASP A 111 0.603 11.720 -10.125 1.00 33.35 O ATOM 1864 CB ASP A 111 0.985 11.064 -13.402 1.00 24.21 C ATOM 1865 CG ASP A 111 1.963 10.627 -14.480 1.00 3.31 C ATOM 1866 OD1 ASP A 111 1.810 9.505 -15.010 1.00 53.43 O ATOM 1867 OD2 ASP A 111 2.904 11.390 -14.790 1.00 14.35 O ATOM 0 H ASP A 111 0.822 8.619 -13.010 1.00 42.44 H new ATOM 0 HA ASP A 111 2.294 10.736 -11.727 1.00 74.01 H new ATOM 0 HB2 ASP A 111 -0.028 10.797 -13.702 1.00 24.21 H new ATOM 0 HB3 ASP A 111 1.014 12.149 -13.305 1.00 24.21 H new ATOM 1872 N ASP A 112 -0.922 10.331 -11.032 1.00 54.12 N ATOM 1873 CA ASP A 112 -1.956 10.607 -10.028 1.00 23.22 C ATOM 1874 C ASP A 112 -1.499 10.140 -8.635 1.00 43.22 C ATOM 1875 O ASP A 112 -1.683 10.839 -7.633 1.00 34.15 O ATOM 1876 CB ASP A 112 -3.262 9.909 -10.431 1.00 3.52 C ATOM 1877 CG ASP A 112 -4.380 10.109 -9.421 1.00 0.32 C ATOM 1878 OD1 ASP A 112 -4.908 11.237 -9.325 1.00 63.35 O ATOM 1879 OD2 ASP A 112 -4.747 9.136 -8.732 1.00 1.22 O ATOM 0 H ASP A 112 -1.214 9.682 -11.763 1.00 54.12 H new ATOM 0 HA ASP A 112 -2.127 11.682 -9.981 1.00 23.22 H new ATOM 0 HB2 ASP A 112 -3.585 10.287 -11.401 1.00 3.52 H new ATOM 0 HB3 ASP A 112 -3.075 8.842 -10.551 1.00 3.52 H new ATOM 1884 N PHE A 113 -0.883 8.960 -8.590 1.00 34.52 N ATOM 1885 CA PHE A 113 -0.344 8.407 -7.344 1.00 40.15 C ATOM 1886 C PHE A 113 0.628 9.381 -6.659 1.00 43.33 C ATOM 1887 O PHE A 113 0.675 9.458 -5.434 1.00 1.12 O ATOM 1888 CB PHE A 113 0.356 7.066 -7.609 1.00 15.52 C ATOM 1889 CG PHE A 113 1.082 6.517 -6.401 1.00 24.04 C ATOM 1890 CD1 PHE A 113 0.379 5.939 -5.352 1.00 15.32 C ATOM 1891 CD2 PHE A 113 2.464 6.597 -6.310 1.00 11.20 C ATOM 1892 CE1 PHE A 113 1.044 5.454 -4.243 1.00 24.10 C ATOM 1893 CE2 PHE A 113 3.130 6.110 -5.204 1.00 4.51 C ATOM 1894 CZ PHE A 113 2.419 5.542 -4.169 1.00 71.41 C ATOM 0 H PHE A 113 -0.743 8.364 -9.406 1.00 34.52 H new ATOM 0 HA PHE A 113 -1.186 8.246 -6.670 1.00 40.15 H new ATOM 0 HB2 PHE A 113 -0.384 6.338 -7.940 1.00 15.52 H new ATOM 0 HB3 PHE A 113 1.068 7.191 -8.425 1.00 15.52 H new ATOM 0 HD1 PHE A 113 -0.697 5.868 -5.404 1.00 15.32 H new ATOM 0 HD2 PHE A 113 3.026 7.046 -7.115 1.00 11.20 H new ATOM 0 HE1 PHE A 113 0.488 5.006 -3.433 1.00 24.10 H new ATOM 0 HE2 PHE A 113 4.207 6.174 -5.149 1.00 4.51 H new ATOM 0 HZ PHE A 113 2.938 5.166 -3.300 1.00 71.41 H new ATOM 1904 N LYS A 114 1.406 10.119 -7.451 1.00 54.41 N ATOM 1905 CA LYS A 114 2.353 11.097 -6.902 1.00 2.41 C ATOM 1906 C LYS A 114 1.634 12.166 -6.065 1.00 55.53 C ATOM 1907 O LYS A 114 1.885 12.303 -4.870 1.00 41.51 O ATOM 1908 CB LYS A 114 3.154 11.769 -8.027 1.00 63.00 C ATOM 1909 CG LYS A 114 4.064 10.812 -8.784 1.00 63.42 C ATOM 1910 CD LYS A 114 4.883 11.524 -9.855 1.00 44.34 C ATOM 1911 CE LYS A 114 5.811 10.557 -10.583 1.00 33.50 C ATOM 1912 NZ LYS A 114 5.060 9.506 -11.319 1.00 10.45 N ATOM 0 H LYS A 114 1.402 10.061 -8.469 1.00 54.41 H new ATOM 0 HA LYS A 114 3.039 10.555 -6.251 1.00 2.41 H new ATOM 0 HB2 LYS A 114 2.460 12.230 -8.730 1.00 63.00 H new ATOM 0 HB3 LYS A 114 3.757 12.571 -7.602 1.00 63.00 H new ATOM 0 HG2 LYS A 114 4.737 10.320 -8.081 1.00 63.42 H new ATOM 0 HG3 LYS A 114 3.462 10.031 -9.248 1.00 63.42 H new ATOM 0 HD2 LYS A 114 4.213 11.997 -10.573 1.00 44.34 H new ATOM 0 HD3 LYS A 114 5.471 12.319 -9.396 1.00 44.34 H new ATOM 0 HE2 LYS A 114 6.436 11.112 -11.283 1.00 33.50 H new ATOM 0 HE3 LYS A 114 6.480 10.086 -9.863 1.00 33.50 H new ATOM 0 HZ1 LYS A 114 5.720 8.769 -11.641 1.00 10.45 H new ATOM 0 HZ2 LYS A 114 4.349 9.083 -10.690 1.00 10.45 H new ATOM 0 HZ3 LYS A 114 4.586 9.930 -12.142 1.00 10.45 H new ATOM 1926 N LYS A 115 0.715 12.896 -6.695 1.00 64.03 N ATOM 1927 CA LYS A 115 -0.004 13.989 -6.023 1.00 33.02 C ATOM 1928 C LYS A 115 -0.876 13.476 -4.870 1.00 22.23 C ATOM 1929 O LYS A 115 -1.285 14.241 -3.996 1.00 41.14 O ATOM 1930 CB LYS A 115 -0.839 14.776 -7.043 1.00 33.50 C ATOM 1931 CG LYS A 115 0.009 15.344 -8.178 1.00 74.11 C ATOM 1932 CD LYS A 115 1.205 16.133 -7.636 1.00 21.04 C ATOM 1933 CE LYS A 115 2.258 16.408 -8.702 1.00 23.00 C ATOM 1934 NZ LYS A 115 3.505 16.951 -8.101 1.00 44.01 N ATOM 0 H LYS A 115 0.447 12.754 -7.669 1.00 64.03 H new ATOM 0 HA LYS A 115 0.736 14.659 -5.585 1.00 33.02 H new ATOM 0 HB2 LYS A 115 -1.607 14.124 -7.459 1.00 33.50 H new ATOM 0 HB3 LYS A 115 -1.353 15.592 -6.535 1.00 33.50 H new ATOM 0 HG2 LYS A 115 0.364 14.531 -8.812 1.00 74.11 H new ATOM 0 HG3 LYS A 115 -0.604 15.992 -8.804 1.00 74.11 H new ATOM 0 HD2 LYS A 115 0.855 17.079 -7.224 1.00 21.04 H new ATOM 0 HD3 LYS A 115 1.660 15.578 -6.816 1.00 21.04 H new ATOM 0 HE2 LYS A 115 2.482 15.487 -9.241 1.00 23.00 H new ATOM 0 HE3 LYS A 115 1.864 17.116 -9.431 1.00 23.00 H new ATOM 0 HZ1 LYS A 115 4.226 17.065 -8.841 1.00 44.01 H new ATOM 0 HZ2 LYS A 115 3.307 17.875 -7.666 1.00 44.01 H new ATOM 0 HZ3 LYS A 115 3.855 16.294 -7.375 1.00 44.01 H new ATOM 1948 N SER A 116 -1.163 12.182 -4.878 1.00 43.33 N ATOM 1949 CA SER A 116 -1.832 11.540 -3.745 1.00 22.04 C ATOM 1950 C SER A 116 -0.831 11.299 -2.599 1.00 4.43 C ATOM 1951 O SER A 116 -1.030 11.764 -1.476 1.00 41.11 O ATOM 1952 CB SER A 116 -2.477 10.213 -4.179 1.00 75.20 C ATOM 1953 OG SER A 116 -3.227 9.625 -3.125 1.00 73.00 O ATOM 0 H SER A 116 -0.946 11.554 -5.652 1.00 43.33 H new ATOM 0 HA SER A 116 -2.619 12.205 -3.388 1.00 22.04 H new ATOM 0 HB2 SER A 116 -3.128 10.388 -5.036 1.00 75.20 H new ATOM 0 HB3 SER A 116 -1.701 9.520 -4.504 1.00 75.20 H new ATOM 0 HG SER A 116 -3.624 8.785 -3.435 1.00 73.00 H new ATOM 1959 N LEU A 117 0.265 10.604 -2.911 1.00 32.35 N ATOM 1960 CA LEU A 117 1.287 10.231 -1.917 1.00 33.43 C ATOM 1961 C LEU A 117 1.923 11.464 -1.241 1.00 32.22 C ATOM 1962 O LEU A 117 1.986 11.542 -0.011 1.00 0.32 O ATOM 1963 CB LEU A 117 2.382 9.383 -2.587 1.00 42.33 C ATOM 1964 CG LEU A 117 3.473 8.838 -1.646 1.00 51.04 C ATOM 1965 CD1 LEU A 117 2.882 7.841 -0.650 1.00 74.22 C ATOM 1966 CD2 LEU A 117 4.609 8.197 -2.442 1.00 30.55 C ATOM 0 H LEU A 117 0.473 10.282 -3.856 1.00 32.35 H new ATOM 0 HA LEU A 117 0.789 9.652 -1.140 1.00 33.43 H new ATOM 0 HB2 LEU A 117 1.907 8.540 -3.089 1.00 42.33 H new ATOM 0 HB3 LEU A 117 2.861 9.985 -3.359 1.00 42.33 H new ATOM 0 HG LEU A 117 3.884 9.677 -1.085 1.00 51.04 H new ATOM 0 HD11 LEU A 117 3.671 7.469 0.004 1.00 74.22 H new ATOM 0 HD12 LEU A 117 2.117 8.335 -0.051 1.00 74.22 H new ATOM 0 HD13 LEU A 117 2.436 7.006 -1.191 1.00 74.22 H new ATOM 0 HD21 LEU A 117 5.367 7.820 -1.755 1.00 30.55 H new ATOM 0 HD22 LEU A 117 4.216 7.373 -3.037 1.00 30.55 H new ATOM 0 HD23 LEU A 117 5.055 8.941 -3.102 1.00 30.55 H new ATOM 1978 N GLU A 118 2.379 12.421 -2.060 1.00 1.45 N ATOM 1979 CA GLU A 118 3.047 13.647 -1.574 1.00 63.12 C ATOM 1980 C GLU A 118 2.307 14.288 -0.386 1.00 1.13 C ATOM 1981 O GLU A 118 2.923 14.743 0.579 1.00 1.22 O ATOM 1982 CB GLU A 118 3.144 14.684 -2.712 1.00 21.12 C ATOM 1983 CG GLU A 118 4.049 14.279 -3.877 1.00 44.52 C ATOM 1984 CD GLU A 118 4.038 15.300 -5.014 1.00 30.03 C ATOM 1985 OE1 GLU A 118 4.119 16.516 -4.731 1.00 13.11 O ATOM 1986 OE2 GLU A 118 3.935 14.899 -6.193 1.00 14.21 O ATOM 0 H GLU A 118 2.298 12.373 -3.076 1.00 1.45 H new ATOM 0 HA GLU A 118 4.040 13.351 -1.237 1.00 63.12 H new ATOM 0 HB2 GLU A 118 2.142 14.873 -3.098 1.00 21.12 H new ATOM 0 HB3 GLU A 118 3.509 15.624 -2.297 1.00 21.12 H new ATOM 0 HG2 GLU A 118 5.069 14.157 -3.514 1.00 44.52 H new ATOM 0 HG3 GLU A 118 3.729 13.310 -4.261 1.00 44.52 H new ATOM 1993 N ARG A 119 0.981 14.313 -0.468 1.00 52.33 N ATOM 1994 CA ARG A 119 0.150 14.984 0.536 1.00 10.44 C ATOM 1995 C ARG A 119 -0.263 14.028 1.668 1.00 74.24 C ATOM 1996 O ARG A 119 -0.239 14.397 2.844 1.00 3.21 O ATOM 1997 CB ARG A 119 -1.089 15.583 -0.145 1.00 0.24 C ATOM 1998 CG ARG A 119 -0.743 16.487 -1.327 1.00 21.30 C ATOM 1999 CD ARG A 119 -1.984 16.959 -2.071 1.00 74.33 C ATOM 2000 NE ARG A 119 -1.646 17.646 -3.318 1.00 73.24 N ATOM 2001 CZ ARG A 119 -2.422 17.680 -4.366 1.00 51.33 C ATOM 2002 NH1 ARG A 119 -3.552 17.048 -4.366 1.00 71.23 N ATOM 2003 NH2 ARG A 119 -2.058 18.329 -5.422 1.00 3.40 N ATOM 0 H ARG A 119 0.452 13.875 -1.222 1.00 52.33 H new ATOM 0 HA ARG A 119 0.738 15.781 0.990 1.00 10.44 H new ATOM 0 HB2 ARG A 119 -1.734 14.774 -0.490 1.00 0.24 H new ATOM 0 HB3 ARG A 119 -1.659 16.155 0.588 1.00 0.24 H new ATOM 0 HG2 ARG A 119 -0.185 17.352 -0.970 1.00 21.30 H new ATOM 0 HG3 ARG A 119 -0.091 15.949 -2.015 1.00 21.30 H new ATOM 0 HD2 ARG A 119 -2.623 16.104 -2.290 1.00 74.33 H new ATOM 0 HD3 ARG A 119 -2.557 17.630 -1.431 1.00 74.33 H new ATOM 0 HE ARG A 119 -0.749 18.128 -3.371 1.00 73.24 H new ATOM 0 HH11 ARG A 119 -3.841 16.519 -3.543 1.00 71.23 H new ATOM 0 HH12 ARG A 119 -4.154 17.079 -5.189 1.00 71.23 H new ATOM 0 HH21 ARG A 119 -1.162 18.816 -5.438 1.00 3.40 H new ATOM 0 HH22 ARG A 119 -2.667 18.354 -6.240 1.00 3.40 H new ATOM 2017 N LEU A 120 -0.625 12.796 1.312 1.00 0.15 N ATOM 2018 CA LEU A 120 -1.057 11.796 2.301 1.00 1.54 C ATOM 2019 C LEU A 120 0.002 11.570 3.391 1.00 13.42 C ATOM 2020 O LEU A 120 -0.333 11.444 4.571 1.00 24.44 O ATOM 2021 CB LEU A 120 -1.391 10.471 1.609 1.00 34.55 C ATOM 2022 CG LEU A 120 -2.642 10.501 0.712 1.00 22.34 C ATOM 2023 CD1 LEU A 120 -2.802 9.184 -0.039 1.00 73.13 C ATOM 2024 CD2 LEU A 120 -3.896 10.811 1.534 1.00 3.23 C ATOM 0 H LEU A 120 -0.629 12.462 0.348 1.00 0.15 H new ATOM 0 HA LEU A 120 -1.952 12.185 2.786 1.00 1.54 H new ATOM 0 HB2 LEU A 120 -0.536 10.169 1.004 1.00 34.55 H new ATOM 0 HB3 LEU A 120 -1.528 9.705 2.372 1.00 34.55 H new ATOM 0 HG LEU A 120 -2.512 11.297 -0.021 1.00 22.34 H new ATOM 0 HD11 LEU A 120 -3.692 9.229 -0.666 1.00 73.13 H new ATOM 0 HD12 LEU A 120 -1.926 9.013 -0.664 1.00 73.13 H new ATOM 0 HD13 LEU A 120 -2.902 8.367 0.676 1.00 73.13 H new ATOM 0 HD21 LEU A 120 -4.766 10.827 0.878 1.00 3.23 H new ATOM 0 HD22 LEU A 120 -4.030 10.044 2.297 1.00 3.23 H new ATOM 0 HD23 LEU A 120 -3.785 11.784 2.013 1.00 3.23 H new ATOM 2036 N ILE A 121 1.276 11.532 2.997 1.00 72.24 N ATOM 2037 CA ILE A 121 2.380 11.378 3.954 1.00 52.14 C ATOM 2038 C ILE A 121 2.346 12.477 5.033 1.00 41.43 C ATOM 2039 O ILE A 121 2.658 12.231 6.200 1.00 34.11 O ATOM 2040 CB ILE A 121 3.756 11.402 3.233 1.00 32.54 C ATOM 2041 CG1 ILE A 121 3.864 10.226 2.246 1.00 1.24 C ATOM 2042 CG2 ILE A 121 4.903 11.368 4.244 1.00 22.32 C ATOM 2043 CD1 ILE A 121 5.162 10.194 1.462 1.00 71.40 C ATOM 0 H ILE A 121 1.572 11.605 2.024 1.00 72.24 H new ATOM 0 HA ILE A 121 2.250 10.409 4.436 1.00 52.14 H new ATOM 0 HB ILE A 121 3.832 12.333 2.671 1.00 32.54 H new ATOM 0 HG12 ILE A 121 3.762 9.292 2.798 1.00 1.24 H new ATOM 0 HG13 ILE A 121 3.030 10.275 1.546 1.00 1.24 H new ATOM 0 HG21 ILE A 121 5.856 11.386 3.714 1.00 22.32 H new ATOM 0 HG22 ILE A 121 4.836 12.236 4.899 1.00 22.32 H new ATOM 0 HG23 ILE A 121 4.836 10.458 4.840 1.00 22.32 H new ATOM 0 HD11 ILE A 121 5.160 9.336 0.789 1.00 71.40 H new ATOM 0 HD12 ILE A 121 5.259 11.111 0.880 1.00 71.40 H new ATOM 0 HD13 ILE A 121 6.002 10.112 2.152 1.00 71.40 H new ATOM 2055 N ARG A 122 1.952 13.686 4.638 1.00 45.43 N ATOM 2056 CA ARG A 122 1.846 14.809 5.577 1.00 72.12 C ATOM 2057 C ARG A 122 0.591 14.674 6.452 1.00 33.44 C ATOM 2058 O ARG A 122 0.621 14.953 7.650 1.00 24.14 O ATOM 2059 CB ARG A 122 1.810 16.142 4.814 1.00 33.54 C ATOM 2060 CG ARG A 122 2.957 16.315 3.821 1.00 62.02 C ATOM 2061 CD ARG A 122 2.947 17.696 3.170 1.00 50.44 C ATOM 2062 NE ARG A 122 3.264 18.758 4.125 1.00 72.45 N ATOM 2063 CZ ARG A 122 3.105 20.032 3.892 1.00 24.35 C ATOM 2064 NH1 ARG A 122 2.537 20.440 2.799 1.00 65.40 N ATOM 2065 NH2 ARG A 122 3.480 20.898 4.776 1.00 51.33 N ATOM 0 H ARG A 122 1.701 13.916 3.677 1.00 45.43 H new ATOM 0 HA ARG A 122 2.723 14.792 6.224 1.00 72.12 H new ATOM 0 HB2 ARG A 122 0.864 16.218 4.278 1.00 33.54 H new ATOM 0 HB3 ARG A 122 1.837 16.962 5.532 1.00 33.54 H new ATOM 0 HG2 ARG A 122 3.907 16.163 4.334 1.00 62.02 H new ATOM 0 HG3 ARG A 122 2.886 15.549 3.048 1.00 62.02 H new ATOM 0 HD2 ARG A 122 3.669 17.716 2.353 1.00 50.44 H new ATOM 0 HD3 ARG A 122 1.966 17.883 2.733 1.00 50.44 H new ATOM 0 HE ARG A 122 3.635 18.484 5.035 1.00 72.45 H new ATOM 0 HH11 ARG A 122 2.209 19.762 2.111 1.00 65.40 H new ATOM 0 HH12 ARG A 122 2.418 21.439 2.628 1.00 65.40 H new ATOM 0 HH21 ARG A 122 3.898 20.584 5.652 1.00 51.33 H new ATOM 0 HH22 ARG A 122 3.357 21.895 4.598 1.00 51.33 H new ATOM 2079 N GLU A 123 -0.504 14.222 5.836 1.00 14.42 N ATOM 2080 CA GLU A 123 -1.794 14.062 6.524 1.00 53.42 C ATOM 2081 C GLU A 123 -1.728 13.010 7.647 1.00 4.45 C ATOM 2082 O GLU A 123 -2.340 13.176 8.703 1.00 65.34 O ATOM 2083 CB GLU A 123 -2.879 13.662 5.510 1.00 21.12 C ATOM 2084 CG GLU A 123 -3.075 14.662 4.373 1.00 53.14 C ATOM 2085 CD GLU A 123 -3.622 16.003 4.844 1.00 50.12 C ATOM 2086 OE1 GLU A 123 -4.863 16.145 4.932 1.00 64.30 O ATOM 2087 OE2 GLU A 123 -2.822 16.924 5.112 1.00 33.42 O ATOM 0 H GLU A 123 -0.525 13.957 4.851 1.00 14.42 H new ATOM 0 HA GLU A 123 -2.040 15.020 6.981 1.00 53.42 H new ATOM 0 HB2 GLU A 123 -2.622 12.692 5.085 1.00 21.12 H new ATOM 0 HB3 GLU A 123 -3.825 13.539 6.037 1.00 21.12 H new ATOM 0 HG2 GLU A 123 -2.122 14.822 3.870 1.00 53.14 H new ATOM 0 HG3 GLU A 123 -3.757 14.237 3.637 1.00 53.14 H new