USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 822 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 68 ASN : amide:sc= 0.565 K(o=0.57,f=-3.1!) USER MOD Set 1.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 37 CYS SG : rot 120:sc= 0.605 USER MOD Set 2.2: A 40 CYS SG : rot 85:sc= 0.0595 USER MOD Set 3.1: A 26 LYS NZ :NH3+ -175:sc= 2.01 (180deg=1.01) USER MOD Set 3.2: A 59 THR OG1 : rot 180:sc= 0.765 USER MOD Single : A 9 THR OG1 : rot -18:sc= 0.172 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 65:sc= 0.947 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc=0.000191 USER MOD Single : A 41 LYS NZ :NH3+ -177:sc= 1.01 (180deg=1.01) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 76:sc= 0.9 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -173:sc= 1.26 (180deg=1.18) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.317 USER MOD Single : A 74 ASN : amide:sc= 1.11 K(o=1.1,f=-0.32) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 112:sc= 1.27 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 93 LYS NZ :NH3+ 159:sc= 1.27 (180deg=1.11) USER MOD Single : A 99 LYS NZ :NH3+ 170:sc= 1.24 (180deg=1.19) USER MOD Single : A 101 LYS NZ :NH3+ -163:sc= 2.35 (180deg=2.14) USER MOD Single : A 109 SER OG : rot -40:sc= 1.58 USER MOD ----------------------------------------------------------------- ATOM 114 N THR A 9 2.840 0.219 10.528 1.00 0.00 N ATOM 115 CA THR A 9 1.799 -0.326 9.632 1.00 0.00 C ATOM 116 C THR A 9 0.372 -0.157 10.164 1.00 0.00 C ATOM 117 O THR A 9 0.139 -0.206 11.375 1.00 0.00 O ATOM 118 CB THR A 9 2.034 -1.815 9.311 1.00 0.00 C ATOM 119 OG1 THR A 9 2.346 -2.556 10.476 1.00 0.00 O ATOM 120 CG2 THR A 9 3.191 -2.013 8.337 1.00 0.00 C ATOM 0 HA THR A 9 1.890 0.268 8.723 1.00 0.00 H new ATOM 0 HB THR A 9 1.102 -2.168 8.868 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.632 -1.944 11.186 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.322 -3.077 8.139 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.974 -1.494 7.404 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.106 -1.610 8.772 1.00 0.00 H new ATOM 128 N ILE A 10 -0.596 -0.042 9.246 1.00 0.00 N ATOM 129 CA ILE A 10 -2.051 -0.085 9.504 1.00 0.00 C ATOM 130 C ILE A 10 -2.769 -1.025 8.515 1.00 0.00 C ATOM 131 O ILE A 10 -2.273 -1.272 7.414 1.00 0.00 O ATOM 132 CB ILE A 10 -2.683 1.331 9.502 1.00 0.00 C ATOM 133 CG1 ILE A 10 -2.580 2.032 8.127 1.00 0.00 C ATOM 134 CG2 ILE A 10 -2.079 2.196 10.624 1.00 0.00 C ATOM 135 CD1 ILE A 10 -3.322 3.371 8.040 1.00 0.00 C ATOM 0 H ILE A 10 -0.383 0.090 8.257 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.187 -0.493 10.506 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.748 1.206 9.698 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.528 2.198 7.896 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.973 1.363 7.362 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.535 3.186 10.606 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.270 1.726 11.589 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.004 2.289 10.472 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.197 3.792 7.043 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.382 3.213 8.237 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.915 4.061 8.779 1.00 0.00 H new ATOM 147 N LYS A 11 -3.952 -1.530 8.880 1.00 0.00 N ATOM 148 CA LYS A 11 -4.850 -2.295 7.989 1.00 0.00 C ATOM 149 C LYS A 11 -6.127 -1.499 7.698 1.00 0.00 C ATOM 150 O LYS A 11 -6.658 -0.846 8.599 1.00 0.00 O ATOM 151 CB LYS A 11 -5.170 -3.673 8.595 1.00 0.00 C ATOM 152 CG LYS A 11 -3.928 -4.574 8.690 1.00 0.00 C ATOM 153 CD LYS A 11 -4.285 -5.942 9.287 1.00 0.00 C ATOM 154 CE LYS A 11 -3.031 -6.819 9.387 1.00 0.00 C ATOM 155 NZ LYS A 11 -3.338 -8.145 9.988 1.00 0.00 N ATOM 0 H LYS A 11 -4.326 -1.419 9.822 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.340 -2.461 7.040 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.596 -3.540 9.590 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.928 -4.167 7.987 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.495 -4.708 7.699 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.170 -4.091 9.307 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.726 -5.812 10.275 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.033 -6.434 8.666 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.604 -6.959 8.394 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.278 -6.311 9.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.468 -8.712 10.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.723 -8.012 10.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.038 -8.639 9.399 1.00 0.00 H new ATOM 169 N VAL A 12 -6.614 -1.550 6.456 1.00 0.00 N ATOM 170 CA VAL A 12 -7.774 -0.770 5.974 1.00 0.00 C ATOM 171 C VAL A 12 -8.784 -1.633 5.206 1.00 0.00 C ATOM 172 O VAL A 12 -8.431 -2.681 4.663 1.00 0.00 O ATOM 173 CB VAL A 12 -7.334 0.455 5.139 1.00 0.00 C ATOM 174 CG1 VAL A 12 -6.442 1.395 5.962 1.00 0.00 C ATOM 175 CG2 VAL A 12 -6.586 0.097 3.848 1.00 0.00 C ATOM 0 H VAL A 12 -6.209 -2.146 5.735 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.285 -0.400 6.863 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.266 0.946 4.860 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.148 2.247 5.349 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.992 1.748 6.834 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.551 0.858 6.288 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.312 1.011 3.321 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.684 -0.464 4.094 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.229 -0.510 3.211 1.00 0.00 H new ATOM 185 N THR A 13 -10.046 -1.194 5.170 1.00 0.00 N ATOM 186 CA THR A 13 -11.170 -1.810 4.433 1.00 0.00 C ATOM 187 C THR A 13 -12.081 -0.730 3.839 1.00 0.00 C ATOM 188 O THR A 13 -12.074 0.413 4.300 1.00 0.00 O ATOM 189 CB THR A 13 -12.016 -2.728 5.336 1.00 0.00 C ATOM 190 OG1 THR A 13 -12.524 -2.014 6.446 1.00 0.00 O ATOM 191 CG2 THR A 13 -11.233 -3.928 5.870 1.00 0.00 C ATOM 0 H THR A 13 -10.333 -0.357 5.678 1.00 0.00 H new ATOM 0 HA THR A 13 -10.732 -2.411 3.636 1.00 0.00 H new ATOM 0 HB THR A 13 -12.826 -3.092 4.704 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.059 -2.615 7.005 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.883 -4.536 6.499 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.872 -4.528 5.035 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.385 -3.577 6.458 1.00 0.00 H new ATOM 199 N ASP A 14 -12.902 -1.068 2.839 1.00 0.00 N ATOM 200 CA ASP A 14 -13.731 -0.104 2.090 1.00 0.00 C ATOM 201 C ASP A 14 -14.704 0.710 2.969 1.00 0.00 C ATOM 202 O ASP A 14 -15.025 1.857 2.648 1.00 0.00 O ATOM 203 CB ASP A 14 -14.506 -0.860 1.002 1.00 0.00 C ATOM 204 CG ASP A 14 -15.121 0.101 -0.030 1.00 0.00 C ATOM 205 OD1 ASP A 14 -14.353 0.741 -0.785 1.00 0.00 O ATOM 206 OD2 ASP A 14 -16.370 0.200 -0.094 1.00 0.00 O ATOM 0 H ASP A 14 -13.014 -2.030 2.519 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.052 0.628 1.654 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -13.838 -1.557 0.497 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -15.296 -1.453 1.463 1.00 0.00 H new ATOM 211 N ALA A 15 -15.132 0.149 4.106 1.00 0.00 N ATOM 212 CA ALA A 15 -16.011 0.808 5.075 1.00 0.00 C ATOM 213 C ALA A 15 -15.335 1.961 5.856 1.00 0.00 C ATOM 214 O ALA A 15 -16.037 2.820 6.401 1.00 0.00 O ATOM 215 CB ALA A 15 -16.545 -0.270 6.027 1.00 0.00 C ATOM 0 H ALA A 15 -14.870 -0.797 4.383 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.823 1.289 4.529 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -17.205 0.189 6.763 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -17.100 -1.016 5.458 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.710 -0.750 6.538 1.00 0.00 H new ATOM 221 N SER A 16 -13.997 1.999 5.899 1.00 0.00 N ATOM 222 CA SER A 16 -13.198 2.954 6.693 1.00 0.00 C ATOM 223 C SER A 16 -12.049 3.615 5.913 1.00 0.00 C ATOM 224 O SER A 16 -11.376 4.495 6.448 1.00 0.00 O ATOM 225 CB SER A 16 -12.638 2.260 7.944 1.00 0.00 C ATOM 226 OG SER A 16 -13.683 1.727 8.749 1.00 0.00 O ATOM 0 H SER A 16 -13.419 1.348 5.368 1.00 0.00 H new ATOM 0 HA SER A 16 -13.882 3.756 6.970 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.961 1.460 7.646 1.00 0.00 H new ATOM 0 HB3 SER A 16 -12.054 2.972 8.527 1.00 0.00 H new ATOM 0 HG SER A 16 -13.298 1.290 9.537 1.00 0.00 H new ATOM 232 N PHE A 17 -11.829 3.248 4.644 1.00 0.00 N ATOM 233 CA PHE A 17 -10.709 3.707 3.810 1.00 0.00 C ATOM 234 C PHE A 17 -10.630 5.235 3.717 1.00 0.00 C ATOM 235 O PHE A 17 -9.545 5.811 3.802 1.00 0.00 O ATOM 236 CB PHE A 17 -10.852 3.087 2.411 1.00 0.00 C ATOM 237 CG PHE A 17 -9.606 3.176 1.549 1.00 0.00 C ATOM 238 CD1 PHE A 17 -9.312 4.347 0.823 1.00 0.00 C ATOM 239 CD2 PHE A 17 -8.753 2.063 1.448 1.00 0.00 C ATOM 240 CE1 PHE A 17 -8.174 4.399 -0.002 1.00 0.00 C ATOM 241 CE2 PHE A 17 -7.633 2.105 0.600 1.00 0.00 C ATOM 242 CZ PHE A 17 -7.342 3.272 -0.126 1.00 0.00 C ATOM 0 H PHE A 17 -12.446 2.602 4.152 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.779 3.382 4.277 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.128 2.038 2.520 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -11.673 3.581 1.891 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -9.962 5.206 0.900 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.959 1.173 2.024 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.939 5.305 -0.541 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.995 1.239 0.506 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.481 3.304 -0.778 1.00 0.00 H new ATOM 252 N ALA A 18 -11.773 5.913 3.593 1.00 0.00 N ATOM 253 CA ALA A 18 -11.813 7.371 3.544 1.00 0.00 C ATOM 254 C ALA A 18 -11.403 8.030 4.878 1.00 0.00 C ATOM 255 O ALA A 18 -10.765 9.081 4.874 1.00 0.00 O ATOM 256 CB ALA A 18 -13.204 7.811 3.079 1.00 0.00 C ATOM 0 H ALA A 18 -12.689 5.469 3.524 1.00 0.00 H new ATOM 0 HA ALA A 18 -11.069 7.715 2.826 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -13.247 8.899 3.038 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.402 7.403 2.088 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -13.955 7.444 3.779 1.00 0.00 H new ATOM 262 N THR A 19 -11.716 7.404 6.014 1.00 0.00 N ATOM 263 CA THR A 19 -11.329 7.865 7.363 1.00 0.00 C ATOM 264 C THR A 19 -9.878 7.514 7.720 1.00 0.00 C ATOM 265 O THR A 19 -9.235 8.245 8.474 1.00 0.00 O ATOM 266 CB THR A 19 -12.281 7.268 8.419 1.00 0.00 C ATOM 267 OG1 THR A 19 -13.631 7.361 8.002 1.00 0.00 O ATOM 268 CG2 THR A 19 -12.190 7.958 9.780 1.00 0.00 C ATOM 0 H THR A 19 -12.259 6.541 6.030 1.00 0.00 H new ATOM 0 HA THR A 19 -11.406 8.952 7.358 1.00 0.00 H new ATOM 0 HB THR A 19 -11.964 6.230 8.521 1.00 0.00 H new ATOM 0 HG1 THR A 19 -14.213 6.974 8.689 1.00 0.00 H new ATOM 0 HG21 THR A 19 -12.886 7.487 10.474 1.00 0.00 H new ATOM 0 HG22 THR A 19 -11.175 7.867 10.167 1.00 0.00 H new ATOM 0 HG23 THR A 19 -12.444 9.012 9.671 1.00 0.00 H new ATOM 276 N ASP A 20 -9.336 6.417 7.181 1.00 0.00 N ATOM 277 CA ASP A 20 -7.984 5.938 7.502 1.00 0.00 C ATOM 278 C ASP A 20 -6.909 6.467 6.541 1.00 0.00 C ATOM 279 O ASP A 20 -5.842 6.903 6.978 1.00 0.00 O ATOM 280 CB ASP A 20 -7.959 4.400 7.522 1.00 0.00 C ATOM 281 CG ASP A 20 -8.765 3.770 8.671 1.00 0.00 C ATOM 282 OD1 ASP A 20 -8.770 4.322 9.799 1.00 0.00 O ATOM 283 OD2 ASP A 20 -9.350 2.682 8.463 1.00 0.00 O ATOM 0 H ASP A 20 -9.825 5.831 6.505 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.742 6.330 8.490 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.349 4.029 6.574 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.924 4.066 7.594 1.00 0.00 H new ATOM 288 N VAL A 21 -7.185 6.434 5.233 1.00 0.00 N ATOM 289 CA VAL A 21 -6.256 6.834 4.167 1.00 0.00 C ATOM 290 C VAL A 21 -6.530 8.271 3.725 1.00 0.00 C ATOM 291 O VAL A 21 -5.661 9.135 3.842 1.00 0.00 O ATOM 292 CB VAL A 21 -6.325 5.856 2.970 1.00 0.00 C ATOM 293 CG1 VAL A 21 -5.223 6.138 1.948 1.00 0.00 C ATOM 294 CG2 VAL A 21 -6.185 4.393 3.411 1.00 0.00 C ATOM 0 H VAL A 21 -8.087 6.119 4.875 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.243 6.791 4.566 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.306 6.013 2.520 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.303 5.431 1.122 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.330 7.154 1.568 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.249 6.030 2.424 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.239 3.743 2.538 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.225 4.253 3.908 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.991 4.142 4.101 1.00 0.00 H new ATOM 304 N LEU A 22 -7.750 8.556 3.252 1.00 0.00 N ATOM 305 CA LEU A 22 -8.055 9.832 2.584 1.00 0.00 C ATOM 306 C LEU A 22 -8.193 11.026 3.545 1.00 0.00 C ATOM 307 O LEU A 22 -8.057 12.172 3.116 1.00 0.00 O ATOM 308 CB LEU A 22 -9.281 9.701 1.659 1.00 0.00 C ATOM 309 CG LEU A 22 -9.246 8.521 0.668 1.00 0.00 C ATOM 310 CD1 LEU A 22 -10.507 8.537 -0.197 1.00 0.00 C ATOM 311 CD2 LEU A 22 -8.029 8.551 -0.257 1.00 0.00 C ATOM 0 H LEU A 22 -8.545 7.920 3.319 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.184 10.058 1.969 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.172 9.605 2.279 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.386 10.626 1.091 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.188 7.614 1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.479 7.702 -0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.387 8.447 0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.555 9.474 -0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.063 7.694 -0.930 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.038 9.472 -0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.118 8.508 0.339 1.00 0.00 H new ATOM 323 N SER A 23 -8.411 10.777 4.840 1.00 0.00 N ATOM 324 CA SER A 23 -8.461 11.827 5.871 1.00 0.00 C ATOM 325 C SER A 23 -7.068 12.303 6.316 1.00 0.00 C ATOM 326 O SER A 23 -6.961 13.308 7.025 1.00 0.00 O ATOM 327 CB SER A 23 -9.282 11.371 7.076 1.00 0.00 C ATOM 328 OG SER A 23 -10.642 11.227 6.700 1.00 0.00 O ATOM 0 H SER A 23 -8.559 9.837 5.208 1.00 0.00 H new ATOM 0 HA SER A 23 -8.952 12.684 5.410 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.897 10.424 7.454 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.193 12.096 7.885 1.00 0.00 H new ATOM 0 HG SER A 23 -10.724 10.510 6.037 1.00 0.00 H new ATOM 334 N SER A 24 -5.994 11.604 5.923 1.00 0.00 N ATOM 335 CA SER A 24 -4.617 11.941 6.303 1.00 0.00 C ATOM 336 C SER A 24 -4.022 13.051 5.427 1.00 0.00 C ATOM 337 O SER A 24 -4.039 12.969 4.196 1.00 0.00 O ATOM 338 CB SER A 24 -3.725 10.701 6.269 1.00 0.00 C ATOM 339 OG SER A 24 -2.502 11.006 6.919 1.00 0.00 O ATOM 0 H SER A 24 -6.059 10.780 5.326 1.00 0.00 H new ATOM 0 HA SER A 24 -4.657 12.321 7.324 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.219 9.866 6.765 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.540 10.396 5.239 1.00 0.00 H new ATOM 0 HG SER A 24 -1.919 10.218 6.906 1.00 0.00 H new ATOM 345 N ASN A 25 -3.447 14.076 6.068 1.00 0.00 N ATOM 346 CA ASN A 25 -2.653 15.121 5.410 1.00 0.00 C ATOM 347 C ASN A 25 -1.195 14.674 5.147 1.00 0.00 C ATOM 348 O ASN A 25 -0.532 15.206 4.254 1.00 0.00 O ATOM 349 CB ASN A 25 -2.742 16.391 6.273 1.00 0.00 C ATOM 350 CG ASN A 25 -1.988 17.570 5.674 1.00 0.00 C ATOM 351 OD1 ASN A 25 -0.942 17.978 6.160 1.00 0.00 O ATOM 352 ND2 ASN A 25 -2.489 18.159 4.613 1.00 0.00 N ATOM 0 H ASN A 25 -3.522 14.205 7.077 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.058 15.327 4.419 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.789 16.664 6.401 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.344 16.178 7.265 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.006 18.955 4.196 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.361 17.821 4.206 1.00 0.00 H new ATOM 359 N LYS A 26 -0.711 13.662 5.884 1.00 0.00 N ATOM 360 CA LYS A 26 0.602 13.022 5.695 1.00 0.00 C ATOM 361 C LYS A 26 0.567 12.096 4.460 1.00 0.00 C ATOM 362 O LYS A 26 -0.482 11.499 4.196 1.00 0.00 O ATOM 363 CB LYS A 26 0.941 12.248 6.986 1.00 0.00 C ATOM 364 CG LYS A 26 2.329 11.589 6.993 1.00 0.00 C ATOM 365 CD LYS A 26 2.507 10.705 8.232 1.00 0.00 C ATOM 366 CE LYS A 26 3.845 9.959 8.162 1.00 0.00 C ATOM 367 NZ LYS A 26 3.880 8.836 9.130 1.00 0.00 N ATOM 0 H LYS A 26 -1.240 13.252 6.654 1.00 0.00 H new ATOM 0 HA LYS A 26 1.377 13.766 5.511 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.874 12.932 7.832 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.187 11.476 7.140 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.456 10.989 6.092 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.101 12.358 6.976 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.470 11.317 9.133 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.687 9.990 8.299 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.001 9.578 7.153 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.662 10.650 8.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.825 8.401 9.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.670 9.193 10.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.170 8.125 8.863 1.00 0.00 H new ATOM 381 N PRO A 27 1.675 11.925 3.712 1.00 0.00 N ATOM 382 CA PRO A 27 1.746 10.927 2.644 1.00 0.00 C ATOM 383 C PRO A 27 1.470 9.510 3.180 1.00 0.00 C ATOM 384 O PRO A 27 2.029 9.099 4.202 1.00 0.00 O ATOM 385 CB PRO A 27 3.153 11.053 2.051 1.00 0.00 C ATOM 386 CG PRO A 27 3.597 12.464 2.435 1.00 0.00 C ATOM 387 CD PRO A 27 2.918 12.681 3.782 1.00 0.00 C ATOM 0 HA PRO A 27 0.985 11.099 1.883 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.826 10.299 2.459 1.00 0.00 H new ATOM 0 HB3 PRO A 27 3.143 10.919 0.969 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.682 12.539 2.513 1.00 0.00 H new ATOM 0 HG3 PRO A 27 3.279 13.202 1.699 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.546 12.330 4.600 1.00 0.00 H new ATOM 0 HD3 PRO A 27 2.725 13.739 3.959 1.00 0.00 H new ATOM 395 N VAL A 28 0.617 8.750 2.492 1.00 0.00 N ATOM 396 CA VAL A 28 0.163 7.418 2.922 1.00 0.00 C ATOM 397 C VAL A 28 0.185 6.448 1.743 1.00 0.00 C ATOM 398 O VAL A 28 -0.269 6.778 0.647 1.00 0.00 O ATOM 399 CB VAL A 28 -1.204 7.503 3.638 1.00 0.00 C ATOM 400 CG1 VAL A 28 -2.311 8.122 2.779 1.00 0.00 C ATOM 401 CG2 VAL A 28 -1.678 6.133 4.142 1.00 0.00 C ATOM 0 H VAL A 28 0.212 9.044 1.603 1.00 0.00 H new ATOM 0 HA VAL A 28 0.855 7.018 3.663 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.025 8.165 4.485 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.241 8.149 3.347 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.029 9.136 2.497 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.452 7.522 1.880 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.642 6.242 4.638 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.779 5.450 3.299 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.950 5.733 4.848 1.00 0.00 H new ATOM 411 N LEU A 29 0.752 5.262 1.956 1.00 0.00 N ATOM 412 CA LEU A 29 1.054 4.274 0.920 1.00 0.00 C ATOM 413 C LEU A 29 0.359 2.954 1.249 1.00 0.00 C ATOM 414 O LEU A 29 0.687 2.308 2.242 1.00 0.00 O ATOM 415 CB LEU A 29 2.589 4.168 0.823 1.00 0.00 C ATOM 416 CG LEU A 29 3.185 3.251 -0.262 1.00 0.00 C ATOM 417 CD1 LEU A 29 3.263 1.786 0.151 1.00 0.00 C ATOM 418 CD2 LEU A 29 2.448 3.315 -1.596 1.00 0.00 C ATOM 0 H LEU A 29 1.024 4.951 2.888 1.00 0.00 H new ATOM 0 HA LEU A 29 0.674 4.567 -0.059 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.983 5.172 0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.962 3.828 1.789 1.00 0.00 H new ATOM 0 HG LEU A 29 4.192 3.649 -0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.693 1.201 -0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.890 1.691 1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.262 1.417 0.374 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.926 2.643 -2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.410 3.014 -1.453 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.480 4.334 -1.981 1.00 0.00 H new ATOM 430 N VAL A 30 -0.605 2.558 0.421 1.00 0.00 N ATOM 431 CA VAL A 30 -1.470 1.391 0.636 1.00 0.00 C ATOM 432 C VAL A 30 -1.090 0.268 -0.326 1.00 0.00 C ATOM 433 O VAL A 30 -1.091 0.471 -1.537 1.00 0.00 O ATOM 434 CB VAL A 30 -2.960 1.751 0.460 1.00 0.00 C ATOM 435 CG1 VAL A 30 -3.827 0.636 1.064 1.00 0.00 C ATOM 436 CG2 VAL A 30 -3.382 3.087 1.086 1.00 0.00 C ATOM 0 H VAL A 30 -0.815 3.053 -0.446 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.323 1.054 1.662 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.108 1.855 -0.615 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.880 0.887 0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.617 -0.305 0.555 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.600 0.533 2.125 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.445 3.252 0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.191 3.062 2.159 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.810 3.897 0.634 1.00 0.00 H new ATOM 446 N ASP A 31 -0.799 -0.925 0.191 1.00 0.00 N ATOM 447 CA ASP A 31 -0.522 -2.124 -0.605 1.00 0.00 C ATOM 448 C ASP A 31 -1.713 -3.097 -0.615 1.00 0.00 C ATOM 449 O ASP A 31 -2.162 -3.583 0.428 1.00 0.00 O ATOM 450 CB ASP A 31 0.775 -2.782 -0.126 1.00 0.00 C ATOM 451 CG ASP A 31 1.023 -4.125 -0.828 1.00 0.00 C ATOM 452 OD1 ASP A 31 0.976 -4.172 -2.078 1.00 0.00 O ATOM 453 OD2 ASP A 31 1.267 -5.122 -0.108 1.00 0.00 O ATOM 0 H ASP A 31 -0.748 -1.090 1.196 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.380 -1.825 -1.644 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.614 -2.112 -0.315 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.728 -2.938 0.952 1.00 0.00 H new ATOM 458 N PHE A 32 -2.211 -3.371 -1.819 1.00 0.00 N ATOM 459 CA PHE A 32 -3.306 -4.284 -2.129 1.00 0.00 C ATOM 460 C PHE A 32 -2.703 -5.659 -2.452 1.00 0.00 C ATOM 461 O PHE A 32 -1.973 -5.802 -3.439 1.00 0.00 O ATOM 462 CB PHE A 32 -4.136 -3.728 -3.303 1.00 0.00 C ATOM 463 CG PHE A 32 -4.957 -2.467 -3.040 1.00 0.00 C ATOM 464 CD1 PHE A 32 -4.365 -1.275 -2.565 1.00 0.00 C ATOM 465 CD2 PHE A 32 -6.333 -2.463 -3.344 1.00 0.00 C ATOM 466 CE1 PHE A 32 -5.140 -0.121 -2.371 1.00 0.00 C ATOM 467 CE2 PHE A 32 -7.096 -1.290 -3.195 1.00 0.00 C ATOM 468 CZ PHE A 32 -6.497 -0.115 -2.714 1.00 0.00 C ATOM 0 H PHE A 32 -1.834 -2.931 -2.659 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.982 -4.386 -1.280 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.456 -3.523 -4.130 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.817 -4.511 -3.637 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.307 -1.252 -2.349 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -6.806 -3.368 -3.694 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.687 0.767 -1.955 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.145 -1.294 -3.451 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.080 0.788 -2.609 1.00 0.00 H new ATOM 478 N TRP A 33 -2.964 -6.653 -1.600 1.00 0.00 N ATOM 479 CA TRP A 33 -2.244 -7.935 -1.572 1.00 0.00 C ATOM 480 C TRP A 33 -3.145 -9.130 -1.209 1.00 0.00 C ATOM 481 O TRP A 33 -4.290 -8.948 -0.797 1.00 0.00 O ATOM 482 CB TRP A 33 -1.088 -7.820 -0.564 1.00 0.00 C ATOM 483 CG TRP A 33 -1.481 -7.967 0.878 1.00 0.00 C ATOM 484 CD1 TRP A 33 -2.208 -7.077 1.588 1.00 0.00 C ATOM 485 CD2 TRP A 33 -1.225 -9.084 1.786 1.00 0.00 C ATOM 486 NE1 TRP A 33 -2.477 -7.589 2.844 1.00 0.00 N ATOM 487 CE2 TRP A 33 -1.874 -8.813 3.029 1.00 0.00 C ATOM 488 CE3 TRP A 33 -0.511 -10.299 1.688 1.00 0.00 C ATOM 489 CZ2 TRP A 33 -1.817 -9.696 4.116 1.00 0.00 C ATOM 490 CZ3 TRP A 33 -0.441 -11.191 2.777 1.00 0.00 C ATOM 491 CH2 TRP A 33 -1.092 -10.893 3.987 1.00 0.00 C ATOM 0 H TRP A 33 -3.697 -6.591 -0.894 1.00 0.00 H new ATOM 0 HA TRP A 33 -1.872 -8.132 -2.577 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -0.344 -8.580 -0.801 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.607 -6.851 -0.696 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -2.531 -6.111 1.229 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -3.050 -7.119 3.545 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -0.011 -10.548 0.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.323 -9.460 5.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 0.117 -12.111 2.681 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -1.035 -11.583 4.816 1.00 0.00 H new ATOM 502 N ALA A 34 -2.619 -10.356 -1.307 1.00 0.00 N ATOM 503 CA ALA A 34 -3.241 -11.560 -0.748 1.00 0.00 C ATOM 504 C ALA A 34 -2.204 -12.575 -0.244 1.00 0.00 C ATOM 505 O ALA A 34 -1.098 -12.679 -0.784 1.00 0.00 O ATOM 506 CB ALA A 34 -4.142 -12.219 -1.798 1.00 0.00 C ATOM 0 H ALA A 34 -1.737 -10.542 -1.784 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.835 -11.247 0.110 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.600 -13.113 -1.375 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.922 -11.519 -2.099 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.546 -12.494 -2.668 1.00 0.00 H new ATOM 512 N THR A 35 -2.595 -13.390 0.739 1.00 0.00 N ATOM 513 CA THR A 35 -1.792 -14.509 1.270 1.00 0.00 C ATOM 514 C THR A 35 -1.528 -15.605 0.233 1.00 0.00 C ATOM 515 O THR A 35 -0.493 -16.272 0.299 1.00 0.00 O ATOM 516 CB THR A 35 -2.487 -15.149 2.485 1.00 0.00 C ATOM 517 OG1 THR A 35 -3.828 -15.465 2.165 1.00 0.00 O ATOM 518 CG2 THR A 35 -2.500 -14.217 3.695 1.00 0.00 C ATOM 0 H THR A 35 -3.498 -13.293 1.202 1.00 0.00 H new ATOM 0 HA THR A 35 -0.834 -14.075 1.558 1.00 0.00 H new ATOM 0 HB THR A 35 -1.922 -16.047 2.735 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.262 -15.873 2.943 1.00 0.00 H new ATOM 0 HG21 THR A 35 -3.000 -14.710 4.529 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.476 -13.974 3.978 1.00 0.00 H new ATOM 0 HG23 THR A 35 -3.033 -13.300 3.443 1.00 0.00 H new ATOM 526 N TRP A 36 -2.417 -15.765 -0.756 1.00 0.00 N ATOM 527 CA TRP A 36 -2.303 -16.748 -1.840 1.00 0.00 C ATOM 528 C TRP A 36 -1.342 -16.353 -2.977 1.00 0.00 C ATOM 529 O TRP A 36 -1.131 -17.146 -3.898 1.00 0.00 O ATOM 530 CB TRP A 36 -3.710 -17.112 -2.355 1.00 0.00 C ATOM 531 CG TRP A 36 -4.671 -16.013 -2.745 1.00 0.00 C ATOM 532 CD1 TRP A 36 -5.801 -15.715 -2.062 1.00 0.00 C ATOM 533 CD2 TRP A 36 -4.684 -15.121 -3.914 1.00 0.00 C ATOM 534 NE1 TRP A 36 -6.543 -14.781 -2.749 1.00 0.00 N ATOM 535 CE2 TRP A 36 -5.893 -14.353 -3.881 1.00 0.00 C ATOM 536 CE3 TRP A 36 -3.811 -14.863 -4.998 1.00 0.00 C ATOM 537 CZ2 TRP A 36 -6.224 -13.405 -4.859 1.00 0.00 C ATOM 538 CZ3 TRP A 36 -4.110 -13.874 -5.960 1.00 0.00 C ATOM 539 CH2 TRP A 36 -5.321 -13.161 -5.904 1.00 0.00 C ATOM 0 H TRP A 36 -3.261 -15.196 -0.825 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.833 -17.633 -1.412 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.582 -17.757 -3.225 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.195 -17.710 -1.583 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -6.081 -16.148 -1.113 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.461 -14.448 -2.454 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.899 -15.434 -5.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -7.161 -12.870 -4.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.401 -13.663 -6.747 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -5.555 -12.429 -6.663 1.00 0.00 H new ATOM 550 N CYS A 37 -0.755 -15.151 -2.942 1.00 0.00 N ATOM 551 CA CYS A 37 0.013 -14.586 -4.052 1.00 0.00 C ATOM 552 C CYS A 37 1.535 -14.564 -3.792 1.00 0.00 C ATOM 553 O CYS A 37 2.017 -13.955 -2.831 1.00 0.00 O ATOM 554 CB CYS A 37 -0.576 -13.206 -4.351 1.00 0.00 C ATOM 555 SG CYS A 37 0.202 -12.485 -5.821 1.00 0.00 S ATOM 0 H CYS A 37 -0.802 -14.537 -2.129 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.078 -15.223 -4.932 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.652 -13.290 -4.506 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.428 -12.548 -3.495 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.704 -12.265 -6.727 1.00 0.00 H new ATOM 561 N GLY A 38 2.300 -15.187 -4.695 1.00 0.00 N ATOM 562 CA GLY A 38 3.769 -15.256 -4.659 1.00 0.00 C ATOM 563 C GLY A 38 4.459 -13.884 -4.638 1.00 0.00 C ATOM 564 O GLY A 38 5.161 -13.591 -3.668 1.00 0.00 O ATOM 0 H GLY A 38 1.903 -15.674 -5.498 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.074 -15.818 -3.777 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.118 -15.813 -5.529 1.00 0.00 H new ATOM 568 N PRO A 39 4.247 -12.997 -5.630 1.00 0.00 N ATOM 569 CA PRO A 39 4.849 -11.664 -5.615 1.00 0.00 C ATOM 570 C PRO A 39 4.368 -10.785 -4.445 1.00 0.00 C ATOM 571 O PRO A 39 5.148 -9.967 -3.957 1.00 0.00 O ATOM 572 CB PRO A 39 4.580 -11.062 -7.000 1.00 0.00 C ATOM 573 CG PRO A 39 3.392 -11.857 -7.536 1.00 0.00 C ATOM 574 CD PRO A 39 3.578 -13.236 -6.902 1.00 0.00 C ATOM 0 HA PRO A 39 5.922 -11.726 -5.432 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.349 -9.999 -6.933 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.449 -11.159 -7.651 1.00 0.00 H new ATOM 0 HG2 PRO A 39 2.443 -11.406 -7.247 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.401 -11.910 -8.625 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.619 -13.731 -6.753 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.175 -13.884 -7.543 1.00 0.00 H new ATOM 582 N CYS A 40 3.158 -10.989 -3.903 1.00 0.00 N ATOM 583 CA CYS A 40 2.763 -10.357 -2.633 1.00 0.00 C ATOM 584 C CYS A 40 3.669 -10.813 -1.479 1.00 0.00 C ATOM 585 O CYS A 40 4.191 -9.982 -0.734 1.00 0.00 O ATOM 586 CB CYS A 40 1.298 -10.655 -2.293 1.00 0.00 C ATOM 587 SG CYS A 40 0.183 -9.850 -3.471 1.00 0.00 S ATOM 0 H CYS A 40 2.440 -11.582 -4.320 1.00 0.00 H new ATOM 0 HA CYS A 40 2.877 -9.281 -2.762 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.130 -11.732 -2.305 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.077 -10.309 -1.283 1.00 0.00 H new ATOM 0 HG CYS A 40 0.032 -10.610 -4.515 1.00 0.00 H new ATOM 593 N LYS A 41 3.919 -12.126 -1.370 1.00 0.00 N ATOM 594 CA LYS A 41 4.842 -12.710 -0.381 1.00 0.00 C ATOM 595 C LYS A 41 6.286 -12.202 -0.546 1.00 0.00 C ATOM 596 O LYS A 41 6.986 -12.021 0.448 1.00 0.00 O ATOM 597 CB LYS A 41 4.772 -14.249 -0.491 1.00 0.00 C ATOM 598 CG LYS A 41 5.045 -14.994 0.828 1.00 0.00 C ATOM 599 CD LYS A 41 3.997 -14.767 1.936 1.00 0.00 C ATOM 600 CE LYS A 41 2.535 -14.986 1.508 1.00 0.00 C ATOM 601 NZ LYS A 41 2.253 -16.396 1.123 1.00 0.00 N ATOM 0 H LYS A 41 3.481 -12.822 -1.973 1.00 0.00 H new ATOM 0 HA LYS A 41 4.530 -12.394 0.614 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.784 -14.530 -0.855 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.493 -14.581 -1.238 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.104 -16.062 0.619 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.021 -14.689 1.205 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.220 -15.436 2.767 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.101 -13.748 2.310 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.875 -14.698 2.326 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.305 -14.331 0.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.269 -16.476 0.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.897 -16.682 0.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.396 -17.016 1.946 1.00 0.00 H new ATOM 615 N MET A 42 6.713 -11.923 -1.783 1.00 0.00 N ATOM 616 CA MET A 42 8.046 -11.383 -2.105 1.00 0.00 C ATOM 617 C MET A 42 8.212 -9.891 -1.763 1.00 0.00 C ATOM 618 O MET A 42 9.285 -9.498 -1.304 1.00 0.00 O ATOM 619 CB MET A 42 8.358 -11.601 -3.594 1.00 0.00 C ATOM 620 CG MET A 42 8.482 -13.081 -3.972 1.00 0.00 C ATOM 621 SD MET A 42 8.563 -13.368 -5.760 1.00 0.00 S ATOM 622 CE MET A 42 8.535 -15.181 -5.769 1.00 0.00 C ATOM 0 H MET A 42 6.132 -12.068 -2.608 1.00 0.00 H new ATOM 0 HA MET A 42 8.750 -11.930 -1.478 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.572 -11.143 -4.195 1.00 0.00 H new ATOM 0 HB3 MET A 42 9.288 -11.089 -3.843 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.377 -13.493 -3.505 1.00 0.00 H new ATOM 0 HG3 MET A 42 7.630 -13.625 -3.563 1.00 0.00 H new ATOM 0 HE1 MET A 42 8.579 -15.540 -6.797 1.00 0.00 H new ATOM 0 HE2 MET A 42 9.393 -15.561 -5.215 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.616 -15.533 -5.300 1.00 0.00 H new ATOM 632 N VAL A 43 7.182 -9.054 -1.960 1.00 0.00 N ATOM 633 CA VAL A 43 7.254 -7.600 -1.686 1.00 0.00 C ATOM 634 C VAL A 43 6.891 -7.228 -0.240 1.00 0.00 C ATOM 635 O VAL A 43 7.330 -6.189 0.250 1.00 0.00 O ATOM 636 CB VAL A 43 6.455 -6.798 -2.736 1.00 0.00 C ATOM 637 CG1 VAL A 43 4.941 -6.834 -2.511 1.00 0.00 C ATOM 638 CG2 VAL A 43 6.907 -5.335 -2.818 1.00 0.00 C ATOM 0 H VAL A 43 6.275 -9.360 -2.313 1.00 0.00 H new ATOM 0 HA VAL A 43 8.301 -7.313 -1.785 1.00 0.00 H new ATOM 0 HB VAL A 43 6.670 -7.299 -3.679 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.444 -6.250 -3.286 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.591 -7.865 -2.554 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.708 -6.412 -1.533 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.315 -4.813 -3.570 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.766 -4.856 -1.849 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.961 -5.295 -3.093 1.00 0.00 H new ATOM 648 N ALA A 44 6.169 -8.088 0.487 1.00 0.00 N ATOM 649 CA ALA A 44 5.851 -7.907 1.907 1.00 0.00 C ATOM 650 C ALA A 44 7.067 -7.586 2.812 1.00 0.00 C ATOM 651 O ALA A 44 6.984 -6.590 3.534 1.00 0.00 O ATOM 652 CB ALA A 44 5.063 -9.129 2.400 1.00 0.00 C ATOM 0 H ALA A 44 5.782 -8.947 0.096 1.00 0.00 H new ATOM 0 HA ALA A 44 5.236 -7.010 1.987 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.821 -9.004 3.456 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.142 -9.224 1.826 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.666 -10.028 2.269 1.00 0.00 H new ATOM 658 N PRO A 45 8.206 -8.314 2.777 1.00 0.00 N ATOM 659 CA PRO A 45 9.379 -7.963 3.589 1.00 0.00 C ATOM 660 C PRO A 45 10.035 -6.633 3.176 1.00 0.00 C ATOM 661 O PRO A 45 10.610 -5.953 4.025 1.00 0.00 O ATOM 662 CB PRO A 45 10.345 -9.145 3.448 1.00 0.00 C ATOM 663 CG PRO A 45 9.967 -9.762 2.104 1.00 0.00 C ATOM 664 CD PRO A 45 8.455 -9.561 2.067 1.00 0.00 C ATOM 0 HA PRO A 45 9.086 -7.797 4.626 1.00 0.00 H new ATOM 0 HB2 PRO A 45 11.384 -8.817 3.460 1.00 0.00 H new ATOM 0 HB3 PRO A 45 10.227 -9.858 4.264 1.00 0.00 H new ATOM 0 HG2 PRO A 45 10.464 -9.262 1.273 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.238 -10.816 2.050 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.092 -9.506 1.041 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.938 -10.393 2.544 1.00 0.00 H new ATOM 672 N VAL A 46 9.915 -6.214 1.909 1.00 0.00 N ATOM 673 CA VAL A 46 10.388 -4.891 1.457 1.00 0.00 C ATOM 674 C VAL A 46 9.487 -3.786 2.013 1.00 0.00 C ATOM 675 O VAL A 46 9.984 -2.849 2.633 1.00 0.00 O ATOM 676 CB VAL A 46 10.519 -4.814 -0.081 1.00 0.00 C ATOM 677 CG1 VAL A 46 10.912 -3.408 -0.522 1.00 0.00 C ATOM 678 CG2 VAL A 46 11.575 -5.803 -0.584 1.00 0.00 C ATOM 0 H VAL A 46 9.491 -6.775 1.170 1.00 0.00 H new ATOM 0 HA VAL A 46 11.392 -4.739 1.853 1.00 0.00 H new ATOM 0 HB VAL A 46 9.548 -5.069 -0.506 1.00 0.00 H new ATOM 0 HG11 VAL A 46 10.998 -3.378 -1.608 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.150 -2.699 -0.199 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.869 -3.141 -0.075 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.652 -5.733 -1.669 1.00 0.00 H new ATOM 0 HG22 VAL A 46 12.540 -5.564 -0.136 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.286 -6.816 -0.305 1.00 0.00 H new ATOM 688 N LEU A 47 8.165 -3.918 1.871 1.00 0.00 N ATOM 689 CA LEU A 47 7.182 -2.976 2.424 1.00 0.00 C ATOM 690 C LEU A 47 7.234 -2.884 3.954 1.00 0.00 C ATOM 691 O LEU A 47 7.047 -1.801 4.502 1.00 0.00 O ATOM 692 CB LEU A 47 5.775 -3.400 1.975 1.00 0.00 C ATOM 693 CG LEU A 47 5.383 -2.831 0.604 1.00 0.00 C ATOM 694 CD1 LEU A 47 4.151 -3.568 0.102 1.00 0.00 C ATOM 695 CD2 LEU A 47 5.049 -1.340 0.697 1.00 0.00 C ATOM 0 H LEU A 47 7.739 -4.693 1.362 1.00 0.00 H new ATOM 0 HA LEU A 47 7.428 -1.985 2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.725 -4.488 1.938 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.049 -3.072 2.719 1.00 0.00 H new ATOM 0 HG LEU A 47 6.225 -2.960 -0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.862 -3.173 -0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.375 -4.631 0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.332 -3.429 0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.775 -0.966 -0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.215 -1.196 1.384 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.919 -0.794 1.063 1.00 0.00 H new ATOM 707 N GLU A 48 7.530 -3.983 4.648 1.00 0.00 N ATOM 708 CA GLU A 48 7.739 -4.002 6.099 1.00 0.00 C ATOM 709 C GLU A 48 8.947 -3.137 6.507 1.00 0.00 C ATOM 710 O GLU A 48 8.875 -2.366 7.469 1.00 0.00 O ATOM 711 CB GLU A 48 7.907 -5.465 6.542 1.00 0.00 C ATOM 712 CG GLU A 48 7.855 -5.629 8.061 1.00 0.00 C ATOM 713 CD GLU A 48 7.987 -7.111 8.460 1.00 0.00 C ATOM 714 OE1 GLU A 48 9.130 -7.621 8.565 1.00 0.00 O ATOM 715 OE2 GLU A 48 6.947 -7.781 8.675 1.00 0.00 O ATOM 0 H GLU A 48 7.633 -4.900 4.213 1.00 0.00 H new ATOM 0 HA GLU A 48 6.875 -3.568 6.602 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.123 -6.071 6.088 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.859 -5.846 6.172 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.657 -5.052 8.521 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.916 -5.228 8.442 1.00 0.00 H new ATOM 722 N GLU A 49 10.035 -3.175 5.731 1.00 0.00 N ATOM 723 CA GLU A 49 11.180 -2.286 5.940 1.00 0.00 C ATOM 724 C GLU A 49 10.877 -0.833 5.557 1.00 0.00 C ATOM 725 O GLU A 49 11.295 0.062 6.282 1.00 0.00 O ATOM 726 CB GLU A 49 12.427 -2.792 5.205 1.00 0.00 C ATOM 727 CG GLU A 49 13.003 -4.048 5.872 1.00 0.00 C ATOM 728 CD GLU A 49 14.339 -4.497 5.258 1.00 0.00 C ATOM 729 OE1 GLU A 49 15.001 -3.718 4.529 1.00 0.00 O ATOM 730 OE2 GLU A 49 14.793 -5.624 5.554 1.00 0.00 O ATOM 0 H GLU A 49 10.146 -3.818 4.947 1.00 0.00 H new ATOM 0 HA GLU A 49 11.384 -2.299 7.011 1.00 0.00 H new ATOM 0 HB2 GLU A 49 12.175 -3.013 4.168 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.184 -2.008 5.189 1.00 0.00 H new ATOM 0 HG2 GLU A 49 13.145 -3.855 6.935 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.281 -4.860 5.789 1.00 0.00 H new ATOM 737 N ILE A 50 10.101 -0.555 4.501 1.00 0.00 N ATOM 738 CA ILE A 50 9.635 0.818 4.214 1.00 0.00 C ATOM 739 C ILE A 50 8.773 1.349 5.372 1.00 0.00 C ATOM 740 O ILE A 50 8.977 2.476 5.821 1.00 0.00 O ATOM 741 CB ILE A 50 8.852 0.875 2.879 1.00 0.00 C ATOM 742 CG1 ILE A 50 9.687 0.457 1.646 1.00 0.00 C ATOM 743 CG2 ILE A 50 8.239 2.266 2.634 1.00 0.00 C ATOM 744 CD1 ILE A 50 10.905 1.330 1.324 1.00 0.00 C ATOM 0 H ILE A 50 9.781 -1.255 3.832 1.00 0.00 H new ATOM 0 HA ILE A 50 10.512 1.457 4.115 1.00 0.00 H new ATOM 0 HB ILE A 50 8.055 0.141 2.995 1.00 0.00 H new ATOM 0 HG12 ILE A 50 10.030 -0.567 1.796 1.00 0.00 H new ATOM 0 HG13 ILE A 50 9.031 0.449 0.775 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.698 2.264 1.688 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.551 2.508 3.444 1.00 0.00 H new ATOM 0 HG23 ILE A 50 9.033 3.012 2.597 1.00 0.00 H new ATOM 0 HD11 ILE A 50 11.410 0.939 0.441 1.00 0.00 H new ATOM 0 HD12 ILE A 50 10.579 2.353 1.133 1.00 0.00 H new ATOM 0 HD13 ILE A 50 11.593 1.320 2.169 1.00 0.00 H new ATOM 756 N ALA A 51 7.860 0.533 5.905 1.00 0.00 N ATOM 757 CA ALA A 51 7.019 0.886 7.049 1.00 0.00 C ATOM 758 C ALA A 51 7.836 1.135 8.324 1.00 0.00 C ATOM 759 O ALA A 51 7.487 1.988 9.135 1.00 0.00 O ATOM 760 CB ALA A 51 6.025 -0.252 7.287 1.00 0.00 C ATOM 0 H ALA A 51 7.682 -0.406 5.548 1.00 0.00 H new ATOM 0 HA ALA A 51 6.502 1.817 6.818 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.388 -0.007 8.137 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.408 -0.388 6.399 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.569 -1.173 7.495 1.00 0.00 H new ATOM 766 N THR A 52 8.920 0.385 8.510 1.00 0.00 N ATOM 767 CA THR A 52 9.846 0.551 9.641 1.00 0.00 C ATOM 768 C THR A 52 10.717 1.802 9.491 1.00 0.00 C ATOM 769 O THR A 52 10.844 2.596 10.423 1.00 0.00 O ATOM 770 CB THR A 52 10.748 -0.693 9.765 1.00 0.00 C ATOM 771 OG1 THR A 52 9.979 -1.841 10.032 1.00 0.00 O ATOM 772 CG2 THR A 52 11.784 -0.588 10.879 1.00 0.00 C ATOM 0 H THR A 52 9.188 -0.366 7.874 1.00 0.00 H new ATOM 0 HA THR A 52 9.245 0.669 10.543 1.00 0.00 H new ATOM 0 HB THR A 52 11.264 -0.762 8.807 1.00 0.00 H new ATOM 0 HG1 THR A 52 9.532 -2.133 9.211 1.00 0.00 H new ATOM 0 HG21 THR A 52 12.382 -1.499 10.907 1.00 0.00 H new ATOM 0 HG22 THR A 52 12.434 0.267 10.692 1.00 0.00 H new ATOM 0 HG23 THR A 52 11.278 -0.457 11.835 1.00 0.00 H new ATOM 780 N GLU A 53 11.334 1.984 8.322 1.00 0.00 N ATOM 781 CA GLU A 53 12.422 2.943 8.106 1.00 0.00 C ATOM 782 C GLU A 53 11.958 4.317 7.611 1.00 0.00 C ATOM 783 O GLU A 53 12.540 5.331 8.001 1.00 0.00 O ATOM 784 CB GLU A 53 13.452 2.336 7.140 1.00 0.00 C ATOM 785 CG GLU A 53 14.108 1.077 7.726 1.00 0.00 C ATOM 786 CD GLU A 53 15.420 0.725 7.006 1.00 0.00 C ATOM 787 OE1 GLU A 53 15.408 0.539 5.764 1.00 0.00 O ATOM 788 OE2 GLU A 53 16.463 0.600 7.688 1.00 0.00 O ATOM 0 H GLU A 53 11.088 1.460 7.482 1.00 0.00 H new ATOM 0 HA GLU A 53 12.876 3.127 9.080 1.00 0.00 H new ATOM 0 HB2 GLU A 53 12.964 2.087 6.198 1.00 0.00 H new ATOM 0 HB3 GLU A 53 14.220 3.076 6.916 1.00 0.00 H new ATOM 0 HG2 GLU A 53 14.306 1.231 8.787 1.00 0.00 H new ATOM 0 HG3 GLU A 53 13.416 0.238 7.650 1.00 0.00 H new ATOM 795 N ARG A 54 10.898 4.375 6.790 1.00 0.00 N ATOM 796 CA ARG A 54 10.314 5.629 6.280 1.00 0.00 C ATOM 797 C ARG A 54 9.095 6.097 7.076 1.00 0.00 C ATOM 798 O ARG A 54 8.345 6.933 6.584 1.00 0.00 O ATOM 799 CB ARG A 54 10.038 5.578 4.758 1.00 0.00 C ATOM 800 CG ARG A 54 11.171 5.106 3.827 1.00 0.00 C ATOM 801 CD ARG A 54 12.612 5.467 4.216 1.00 0.00 C ATOM 802 NE ARG A 54 12.803 6.862 4.661 1.00 0.00 N ATOM 803 CZ ARG A 54 13.780 7.284 5.445 1.00 0.00 C ATOM 804 NH1 ARG A 54 14.786 6.532 5.793 1.00 0.00 N ATOM 805 NH2 ARG A 54 13.736 8.492 5.918 1.00 0.00 N ATOM 0 H ARG A 54 10.414 3.541 6.456 1.00 0.00 H new ATOM 0 HA ARG A 54 11.078 6.391 6.434 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.181 4.924 4.597 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.741 6.577 4.440 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.108 4.021 3.745 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.980 5.512 2.834 1.00 0.00 H new ATOM 0 HD2 ARG A 54 12.936 4.799 5.014 1.00 0.00 H new ATOM 0 HD3 ARG A 54 13.262 5.281 3.361 1.00 0.00 H new ATOM 0 HE ARG A 54 12.128 7.555 4.338 1.00 0.00 H new ATOM 0 HH11 ARG A 54 14.844 5.570 5.458 1.00 0.00 H new ATOM 0 HH12 ARG A 54 15.515 6.905 6.401 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.954 9.103 5.684 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.484 8.830 6.524 1.00 0.00 H new ATOM 819 N ALA A 55 8.914 5.623 8.312 1.00 0.00 N ATOM 820 CA ALA A 55 7.807 6.003 9.201 1.00 0.00 C ATOM 821 C ALA A 55 7.635 7.530 9.390 1.00 0.00 C ATOM 822 O ALA A 55 6.521 8.007 9.616 1.00 0.00 O ATOM 823 CB ALA A 55 8.044 5.319 10.553 1.00 0.00 C ATOM 0 H ALA A 55 9.549 4.946 8.735 1.00 0.00 H new ATOM 0 HA ALA A 55 6.878 5.674 8.736 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.238 5.580 11.239 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.067 4.238 10.415 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.996 5.652 10.967 1.00 0.00 H new ATOM 829 N THR A 56 8.716 8.311 9.272 1.00 0.00 N ATOM 830 CA THR A 56 8.699 9.786 9.328 1.00 0.00 C ATOM 831 C THR A 56 8.146 10.428 8.045 1.00 0.00 C ATOM 832 O THR A 56 7.514 11.484 8.104 1.00 0.00 O ATOM 833 CB THR A 56 10.124 10.318 9.587 1.00 0.00 C ATOM 834 OG1 THR A 56 10.757 9.583 10.618 1.00 0.00 O ATOM 835 CG2 THR A 56 10.160 11.789 10.002 1.00 0.00 C ATOM 0 H THR A 56 9.652 7.930 9.131 1.00 0.00 H new ATOM 0 HA THR A 56 8.032 10.061 10.145 1.00 0.00 H new ATOM 0 HB THR A 56 10.642 10.206 8.635 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.659 9.936 10.765 1.00 0.00 H new ATOM 0 HG21 THR A 56 11.193 12.095 10.168 1.00 0.00 H new ATOM 0 HG22 THR A 56 9.722 12.400 9.213 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.590 11.922 10.922 1.00 0.00 H new ATOM 843 N ASP A 57 8.350 9.796 6.884 1.00 0.00 N ATOM 844 CA ASP A 57 7.995 10.329 5.557 1.00 0.00 C ATOM 845 C ASP A 57 6.647 9.796 5.042 1.00 0.00 C ATOM 846 O ASP A 57 5.901 10.513 4.375 1.00 0.00 O ATOM 847 CB ASP A 57 9.094 9.966 4.544 1.00 0.00 C ATOM 848 CG ASP A 57 10.506 10.378 4.980 1.00 0.00 C ATOM 849 OD1 ASP A 57 10.711 11.537 5.405 1.00 0.00 O ATOM 850 OD2 ASP A 57 11.424 9.527 4.879 1.00 0.00 O ATOM 0 H ASP A 57 8.779 8.872 6.837 1.00 0.00 H new ATOM 0 HA ASP A 57 7.904 11.410 5.663 1.00 0.00 H new ATOM 0 HB2 ASP A 57 9.077 8.889 4.375 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.866 10.442 3.590 1.00 0.00 H new ATOM 855 N LEU A 58 6.340 8.536 5.365 1.00 0.00 N ATOM 856 CA LEU A 58 5.190 7.753 4.915 1.00 0.00 C ATOM 857 C LEU A 58 4.473 7.112 6.113 1.00 0.00 C ATOM 858 O LEU A 58 5.100 6.765 7.116 1.00 0.00 O ATOM 859 CB LEU A 58 5.655 6.626 3.963 1.00 0.00 C ATOM 860 CG LEU A 58 6.421 7.035 2.692 1.00 0.00 C ATOM 861 CD1 LEU A 58 6.805 5.781 1.904 1.00 0.00 C ATOM 862 CD2 LEU A 58 5.593 7.929 1.771 1.00 0.00 C ATOM 0 H LEU A 58 6.935 7.998 5.995 1.00 0.00 H new ATOM 0 HA LEU A 58 4.507 8.425 4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.289 5.946 4.532 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.775 6.061 3.657 1.00 0.00 H new ATOM 0 HG LEU A 58 7.300 7.592 3.018 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.348 6.069 1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.438 5.143 2.521 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.903 5.236 1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.181 8.188 0.890 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.692 7.399 1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.315 8.839 2.302 1.00 0.00 H new ATOM 874 N THR A 59 3.172 6.868 5.978 1.00 0.00 N ATOM 875 CA THR A 59 2.475 5.804 6.725 1.00 0.00 C ATOM 876 C THR A 59 2.175 4.662 5.758 1.00 0.00 C ATOM 877 O THR A 59 1.640 4.904 4.675 1.00 0.00 O ATOM 878 CB THR A 59 1.196 6.327 7.397 1.00 0.00 C ATOM 879 OG1 THR A 59 1.554 7.288 8.369 1.00 0.00 O ATOM 880 CG2 THR A 59 0.415 5.236 8.132 1.00 0.00 C ATOM 0 H THR A 59 2.565 7.396 5.351 1.00 0.00 H new ATOM 0 HA THR A 59 3.114 5.444 7.532 1.00 0.00 H new ATOM 0 HB THR A 59 0.570 6.733 6.602 1.00 0.00 H new ATOM 0 HG1 THR A 59 0.745 7.631 8.804 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.477 5.669 8.585 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.122 4.459 7.425 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.042 4.801 8.910 1.00 0.00 H new ATOM 888 N VAL A 60 2.525 3.424 6.120 1.00 0.00 N ATOM 889 CA VAL A 60 2.316 2.244 5.262 1.00 0.00 C ATOM 890 C VAL A 60 1.057 1.491 5.697 1.00 0.00 C ATOM 891 O VAL A 60 0.838 1.244 6.882 1.00 0.00 O ATOM 892 CB VAL A 60 3.575 1.353 5.195 1.00 0.00 C ATOM 893 CG1 VAL A 60 3.336 0.075 4.378 1.00 0.00 C ATOM 894 CG2 VAL A 60 4.719 2.119 4.513 1.00 0.00 C ATOM 0 H VAL A 60 2.962 3.207 7.016 1.00 0.00 H new ATOM 0 HA VAL A 60 2.149 2.578 4.238 1.00 0.00 H new ATOM 0 HB VAL A 60 3.824 1.085 6.222 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.249 -0.520 4.358 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.534 -0.505 4.836 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.055 0.342 3.359 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.605 1.486 4.468 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.420 2.396 3.502 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.945 3.020 5.084 1.00 0.00 H new ATOM 904 N ALA A 61 0.216 1.135 4.731 1.00 0.00 N ATOM 905 CA ALA A 61 -1.093 0.526 4.934 1.00 0.00 C ATOM 906 C ALA A 61 -1.279 -0.749 4.091 1.00 0.00 C ATOM 907 O ALA A 61 -0.644 -0.919 3.048 1.00 0.00 O ATOM 908 CB ALA A 61 -2.159 1.583 4.627 1.00 0.00 C ATOM 0 H ALA A 61 0.438 1.269 3.744 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.188 0.200 5.970 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.150 1.153 4.771 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.032 2.433 5.297 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.055 1.916 3.594 1.00 0.00 H new ATOM 914 N LYS A 62 -2.174 -1.639 4.532 1.00 0.00 N ATOM 915 CA LYS A 62 -2.464 -2.938 3.902 1.00 0.00 C ATOM 916 C LYS A 62 -3.959 -3.128 3.636 1.00 0.00 C ATOM 917 O LYS A 62 -4.781 -2.904 4.528 1.00 0.00 O ATOM 918 CB LYS A 62 -1.920 -4.059 4.808 1.00 0.00 C ATOM 919 CG LYS A 62 -0.392 -4.234 4.735 1.00 0.00 C ATOM 920 CD LYS A 62 0.024 -5.015 3.481 1.00 0.00 C ATOM 921 CE LYS A 62 1.536 -5.249 3.438 1.00 0.00 C ATOM 922 NZ LYS A 62 1.888 -6.179 2.336 1.00 0.00 N ATOM 0 H LYS A 62 -2.737 -1.472 5.366 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.971 -2.973 2.930 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.203 -3.849 5.839 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.397 -4.999 4.532 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.088 -3.255 4.732 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.042 -4.758 5.624 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.494 -5.974 3.461 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.285 -4.467 2.591 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.053 -4.299 3.299 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.873 -5.659 4.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.898 -6.420 2.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.320 -7.046 2.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.693 -5.723 1.422 1.00 0.00 H new ATOM 936 N LEU A 63 -4.291 -3.605 2.434 1.00 0.00 N ATOM 937 CA LEU A 63 -5.624 -4.062 2.028 1.00 0.00 C ATOM 938 C LEU A 63 -5.523 -5.502 1.504 1.00 0.00 C ATOM 939 O LEU A 63 -4.879 -5.763 0.489 1.00 0.00 O ATOM 940 CB LEU A 63 -6.193 -3.076 0.986 1.00 0.00 C ATOM 941 CG LEU A 63 -7.599 -3.358 0.404 1.00 0.00 C ATOM 942 CD1 LEU A 63 -7.642 -4.472 -0.639 1.00 0.00 C ATOM 943 CD2 LEU A 63 -8.649 -3.643 1.474 1.00 0.00 C ATOM 0 H LEU A 63 -3.607 -3.687 1.682 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.315 -4.077 2.871 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.213 -2.086 1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.491 -3.030 0.153 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.844 -2.422 -0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.665 -4.601 -0.992 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.999 -4.209 -1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.292 -5.403 -0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.611 -3.832 0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.352 -4.518 2.052 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.735 -2.782 2.137 1.00 0.00 H new ATOM 955 N ASP A 64 -6.176 -6.438 2.188 1.00 0.00 N ATOM 956 CA ASP A 64 -6.269 -7.835 1.759 1.00 0.00 C ATOM 957 C ASP A 64 -7.389 -7.991 0.712 1.00 0.00 C ATOM 958 O ASP A 64 -8.568 -7.809 1.029 1.00 0.00 O ATOM 959 CB ASP A 64 -6.537 -8.710 2.988 1.00 0.00 C ATOM 960 CG ASP A 64 -6.394 -10.209 2.678 1.00 0.00 C ATOM 961 OD1 ASP A 64 -7.014 -10.685 1.699 1.00 0.00 O ATOM 962 OD2 ASP A 64 -5.640 -10.905 3.400 1.00 0.00 O ATOM 0 H ASP A 64 -6.661 -6.248 3.065 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.334 -8.149 1.295 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.843 -8.438 3.784 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.542 -8.512 3.360 1.00 0.00 H new ATOM 967 N VAL A 65 -7.049 -8.310 -0.541 1.00 0.00 N ATOM 968 CA VAL A 65 -8.040 -8.434 -1.627 1.00 0.00 C ATOM 969 C VAL A 65 -8.929 -9.676 -1.513 1.00 0.00 C ATOM 970 O VAL A 65 -9.965 -9.742 -2.172 1.00 0.00 O ATOM 971 CB VAL A 65 -7.421 -8.343 -3.035 1.00 0.00 C ATOM 972 CG1 VAL A 65 -6.541 -7.094 -3.182 1.00 0.00 C ATOM 973 CG2 VAL A 65 -6.603 -9.558 -3.466 1.00 0.00 C ATOM 0 H VAL A 65 -6.089 -8.489 -0.835 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.682 -7.564 -1.492 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.289 -8.293 -3.692 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.120 -7.061 -4.187 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.144 -6.202 -3.012 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.733 -7.130 -2.452 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.211 -9.395 -4.470 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.775 -9.704 -2.772 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.238 -10.444 -3.464 1.00 0.00 H new ATOM 983 N ASP A 66 -8.546 -10.669 -0.707 1.00 0.00 N ATOM 984 CA ASP A 66 -9.338 -11.878 -0.471 1.00 0.00 C ATOM 985 C ASP A 66 -10.371 -11.680 0.652 1.00 0.00 C ATOM 986 O ASP A 66 -11.509 -12.140 0.524 1.00 0.00 O ATOM 987 CB ASP A 66 -8.400 -13.056 -0.178 1.00 0.00 C ATOM 988 CG ASP A 66 -9.109 -14.392 -0.430 1.00 0.00 C ATOM 989 OD1 ASP A 66 -9.210 -14.784 -1.616 1.00 0.00 O ATOM 990 OD2 ASP A 66 -9.542 -15.055 0.543 1.00 0.00 O ATOM 0 H ASP A 66 -7.665 -10.656 -0.193 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.909 -12.099 -1.373 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.513 -12.986 -0.807 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.061 -13.008 0.857 1.00 0.00 H new ATOM 995 N THR A 67 -10.007 -10.963 1.725 1.00 0.00 N ATOM 996 CA THR A 67 -10.895 -10.707 2.877 1.00 0.00 C ATOM 997 C THR A 67 -11.630 -9.361 2.830 1.00 0.00 C ATOM 998 O THR A 67 -12.689 -9.245 3.451 1.00 0.00 O ATOM 999 CB THR A 67 -10.178 -10.889 4.226 1.00 0.00 C ATOM 1000 OG1 THR A 67 -9.113 -9.991 4.379 1.00 0.00 O ATOM 1001 CG2 THR A 67 -9.631 -12.306 4.410 1.00 0.00 C ATOM 0 H THR A 67 -9.084 -10.540 1.822 1.00 0.00 H new ATOM 0 HA THR A 67 -11.665 -11.474 2.790 1.00 0.00 H new ATOM 0 HB THR A 67 -10.939 -10.694 4.982 1.00 0.00 H new ATOM 0 HG1 THR A 67 -8.684 -10.137 5.248 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.135 -12.382 5.377 1.00 0.00 H new ATOM 0 HG22 THR A 67 -10.452 -13.021 4.367 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.916 -12.526 3.617 1.00 0.00 H new ATOM 1009 N ASN A 68 -11.170 -8.368 2.052 1.00 0.00 N ATOM 1010 CA ASN A 68 -11.974 -7.201 1.673 1.00 0.00 C ATOM 1011 C ASN A 68 -11.782 -6.829 0.179 1.00 0.00 C ATOM 1012 O ASN A 68 -11.091 -5.859 -0.142 1.00 0.00 O ATOM 1013 CB ASN A 68 -11.695 -6.050 2.661 1.00 0.00 C ATOM 1014 CG ASN A 68 -12.815 -5.024 2.642 1.00 0.00 C ATOM 1015 OD1 ASN A 68 -12.693 -3.922 2.137 1.00 0.00 O ATOM 1016 ND2 ASN A 68 -13.957 -5.356 3.199 1.00 0.00 N ATOM 0 H ASN A 68 -10.225 -8.355 1.668 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.035 -7.438 1.753 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.583 -6.451 3.668 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.752 -5.567 2.404 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -14.733 -4.693 3.206 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -14.068 -6.276 3.624 1.00 0.00 H new ATOM 1023 N PRO A 69 -12.409 -7.571 -0.760 1.00 0.00 N ATOM 1024 CA PRO A 69 -12.309 -7.305 -2.202 1.00 0.00 C ATOM 1025 C PRO A 69 -12.936 -5.970 -2.633 1.00 0.00 C ATOM 1026 O PRO A 69 -12.623 -5.464 -3.711 1.00 0.00 O ATOM 1027 CB PRO A 69 -13.021 -8.480 -2.886 1.00 0.00 C ATOM 1028 CG PRO A 69 -14.006 -8.976 -1.829 1.00 0.00 C ATOM 1029 CD PRO A 69 -13.247 -8.743 -0.527 1.00 0.00 C ATOM 0 HA PRO A 69 -11.260 -7.218 -2.486 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -13.535 -8.163 -3.794 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -12.317 -9.261 -3.174 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -14.943 -8.420 -1.856 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -14.255 -10.028 -1.970 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -13.935 -8.574 0.302 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -12.642 -9.611 -0.266 1.00 0.00 H new ATOM 1037 N GLU A 70 -13.814 -5.379 -1.816 1.00 0.00 N ATOM 1038 CA GLU A 70 -14.562 -4.173 -2.182 1.00 0.00 C ATOM 1039 C GLU A 70 -13.661 -2.954 -2.417 1.00 0.00 C ATOM 1040 O GLU A 70 -13.899 -2.217 -3.372 1.00 0.00 O ATOM 1041 CB GLU A 70 -15.636 -3.863 -1.127 1.00 0.00 C ATOM 1042 CG GLU A 70 -16.689 -4.975 -0.971 1.00 0.00 C ATOM 1043 CD GLU A 70 -17.398 -5.351 -2.290 1.00 0.00 C ATOM 1044 OE1 GLU A 70 -17.620 -4.465 -3.150 1.00 0.00 O ATOM 1045 OE2 GLU A 70 -17.743 -6.543 -2.473 1.00 0.00 O ATOM 0 H GLU A 70 -14.026 -5.725 -0.880 1.00 0.00 H new ATOM 0 HA GLU A 70 -15.048 -4.384 -3.135 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -15.151 -3.697 -0.165 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -16.139 -2.934 -1.395 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -16.208 -5.863 -0.562 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -17.437 -4.655 -0.246 1.00 0.00 H new ATOM 1052 N THR A 71 -12.583 -2.769 -1.645 1.00 0.00 N ATOM 1053 CA THR A 71 -11.607 -1.690 -1.899 1.00 0.00 C ATOM 1054 C THR A 71 -10.882 -1.900 -3.229 1.00 0.00 C ATOM 1055 O THR A 71 -10.743 -0.967 -4.019 1.00 0.00 O ATOM 1056 CB THR A 71 -10.560 -1.595 -0.787 1.00 0.00 C ATOM 1057 OG1 THR A 71 -11.146 -1.663 0.486 1.00 0.00 O ATOM 1058 CG2 THR A 71 -9.780 -0.284 -0.820 1.00 0.00 C ATOM 0 H THR A 71 -12.360 -3.351 -0.837 1.00 0.00 H new ATOM 0 HA THR A 71 -12.179 -0.763 -1.932 1.00 0.00 H new ATOM 0 HB THR A 71 -9.894 -2.439 -0.966 1.00 0.00 H new ATOM 0 HG1 THR A 71 -10.448 -1.601 1.171 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.052 -0.273 -0.009 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.261 -0.193 -1.774 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.469 0.552 -0.701 1.00 0.00 H new ATOM 1066 N ALA A 72 -10.460 -3.135 -3.518 1.00 0.00 N ATOM 1067 CA ALA A 72 -9.777 -3.485 -4.764 1.00 0.00 C ATOM 1068 C ALA A 72 -10.667 -3.258 -5.993 1.00 0.00 C ATOM 1069 O ALA A 72 -10.193 -2.765 -7.017 1.00 0.00 O ATOM 1070 CB ALA A 72 -9.289 -4.931 -4.648 1.00 0.00 C ATOM 0 H ALA A 72 -10.585 -3.926 -2.886 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.920 -2.828 -4.913 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.775 -5.216 -5.566 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.602 -5.017 -3.806 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -10.142 -5.591 -4.489 1.00 0.00 H new ATOM 1076 N ARG A 73 -11.971 -3.529 -5.863 1.00 0.00 N ATOM 1077 CA ARG A 73 -12.972 -3.231 -6.889 1.00 0.00 C ATOM 1078 C ARG A 73 -13.218 -1.722 -7.036 1.00 0.00 C ATOM 1079 O ARG A 73 -13.195 -1.204 -8.150 1.00 0.00 O ATOM 1080 CB ARG A 73 -14.258 -4.005 -6.543 1.00 0.00 C ATOM 1081 CG ARG A 73 -15.351 -3.887 -7.617 1.00 0.00 C ATOM 1082 CD ARG A 73 -16.642 -4.613 -7.203 1.00 0.00 C ATOM 1083 NE ARG A 73 -17.299 -3.991 -6.035 1.00 0.00 N ATOM 1084 CZ ARG A 73 -18.048 -2.905 -6.004 1.00 0.00 C ATOM 1085 NH1 ARG A 73 -18.320 -2.195 -7.065 1.00 0.00 N ATOM 1086 NH2 ARG A 73 -18.539 -2.522 -4.867 1.00 0.00 N ATOM 0 H ARG A 73 -12.364 -3.967 -5.030 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.606 -3.556 -7.863 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -14.012 -5.057 -6.400 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.650 -3.637 -5.595 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -15.569 -2.835 -7.799 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.985 -4.304 -8.555 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -17.336 -4.619 -8.044 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.411 -5.653 -6.973 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.156 -4.460 -5.140 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -17.948 -2.472 -7.973 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.905 -1.363 -6.986 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -18.343 -3.057 -4.021 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -19.121 -1.686 -4.819 1.00 0.00 H new ATOM 1100 N ASN A 74 -13.395 -1.006 -5.922 1.00 0.00 N ATOM 1101 CA ASN A 74 -13.689 0.433 -5.873 1.00 0.00 C ATOM 1102 C ASN A 74 -12.549 1.293 -6.464 1.00 0.00 C ATOM 1103 O ASN A 74 -12.806 2.262 -7.181 1.00 0.00 O ATOM 1104 CB ASN A 74 -13.993 0.786 -4.401 1.00 0.00 C ATOM 1105 CG ASN A 74 -14.494 2.202 -4.152 1.00 0.00 C ATOM 1106 OD1 ASN A 74 -14.799 2.975 -5.048 1.00 0.00 O ATOM 1107 ND2 ASN A 74 -14.635 2.577 -2.902 1.00 0.00 N ATOM 0 H ASN A 74 -13.336 -1.426 -4.994 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.552 0.659 -6.499 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.738 0.085 -4.025 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.087 0.633 -3.815 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.996 3.506 -2.686 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.383 1.939 -2.147 1.00 0.00 H new ATOM 1114 N PHE A 75 -11.290 0.898 -6.242 1.00 0.00 N ATOM 1115 CA PHE A 75 -10.098 1.564 -6.792 1.00 0.00 C ATOM 1116 C PHE A 75 -9.578 0.896 -8.082 1.00 0.00 C ATOM 1117 O PHE A 75 -8.501 1.240 -8.568 1.00 0.00 O ATOM 1118 CB PHE A 75 -9.032 1.705 -5.689 1.00 0.00 C ATOM 1119 CG PHE A 75 -9.379 2.757 -4.649 1.00 0.00 C ATOM 1120 CD1 PHE A 75 -8.993 4.097 -4.853 1.00 0.00 C ATOM 1121 CD2 PHE A 75 -10.106 2.415 -3.493 1.00 0.00 C ATOM 1122 CE1 PHE A 75 -9.337 5.085 -3.912 1.00 0.00 C ATOM 1123 CE2 PHE A 75 -10.449 3.401 -2.551 1.00 0.00 C ATOM 1124 CZ PHE A 75 -10.067 4.737 -2.762 1.00 0.00 C ATOM 0 H PHE A 75 -11.064 0.089 -5.663 1.00 0.00 H new ATOM 0 HA PHE A 75 -10.375 2.568 -7.113 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.903 0.743 -5.193 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -8.076 1.959 -6.147 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -8.431 4.367 -5.735 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -10.402 1.389 -3.329 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -9.040 6.111 -4.073 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -11.006 3.132 -1.666 1.00 0.00 H new ATOM 0 HZ PHE A 75 -10.334 5.496 -2.041 1.00 0.00 H new ATOM 1134 N GLN A 76 -10.336 -0.056 -8.643 1.00 0.00 N ATOM 1135 CA GLN A 76 -10.062 -0.855 -9.851 1.00 0.00 C ATOM 1136 C GLN A 76 -8.784 -1.731 -9.828 1.00 0.00 C ATOM 1137 O GLN A 76 -8.624 -2.616 -10.670 1.00 0.00 O ATOM 1138 CB GLN A 76 -10.176 0.061 -11.089 1.00 0.00 C ATOM 1139 CG GLN A 76 -10.240 -0.694 -12.425 1.00 0.00 C ATOM 1140 CD GLN A 76 -10.607 0.234 -13.583 1.00 0.00 C ATOM 1141 OE1 GLN A 76 -11.752 0.319 -14.012 1.00 0.00 O ATOM 1142 NE2 GLN A 76 -9.664 0.974 -14.129 1.00 0.00 N ATOM 0 H GLN A 76 -11.233 -0.310 -8.230 1.00 0.00 H new ATOM 0 HA GLN A 76 -10.829 -1.628 -9.895 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.069 0.678 -10.990 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -9.321 0.737 -11.107 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -9.276 -1.162 -12.625 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -10.975 -1.496 -12.355 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.706 0.915 -13.784 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -9.892 1.606 -14.897 1.00 0.00 H new ATOM 1151 N VAL A 77 -7.892 -1.553 -8.850 1.00 0.00 N ATOM 1152 CA VAL A 77 -6.636 -2.302 -8.659 1.00 0.00 C ATOM 1153 C VAL A 77 -6.866 -3.706 -8.068 1.00 0.00 C ATOM 1154 O VAL A 77 -6.371 -4.058 -6.998 1.00 0.00 O ATOM 1155 CB VAL A 77 -5.604 -1.462 -7.876 1.00 0.00 C ATOM 1156 CG1 VAL A 77 -5.103 -0.286 -8.727 1.00 0.00 C ATOM 1157 CG2 VAL A 77 -6.138 -0.892 -6.556 1.00 0.00 C ATOM 0 H VAL A 77 -8.029 -0.845 -8.128 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.206 -2.484 -9.644 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.797 -2.156 -7.641 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.377 0.293 -8.156 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.632 -0.667 -9.633 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.944 0.352 -8.997 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.354 -0.315 -6.065 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.992 -0.246 -6.758 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.447 -1.710 -5.905 1.00 0.00 H new ATOM 1167 N VAL A 78 -7.633 -4.531 -8.790 1.00 0.00 N ATOM 1168 CA VAL A 78 -7.913 -5.940 -8.451 1.00 0.00 C ATOM 1169 C VAL A 78 -6.726 -6.883 -8.724 1.00 0.00 C ATOM 1170 O VAL A 78 -6.662 -7.969 -8.147 1.00 0.00 O ATOM 1171 CB VAL A 78 -9.187 -6.456 -9.148 1.00 0.00 C ATOM 1172 CG1 VAL A 78 -10.433 -5.692 -8.682 1.00 0.00 C ATOM 1173 CG2 VAL A 78 -9.113 -6.388 -10.680 1.00 0.00 C ATOM 0 H VAL A 78 -8.091 -4.233 -9.651 1.00 0.00 H new ATOM 0 HA VAL A 78 -8.081 -5.950 -7.374 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.262 -7.504 -8.859 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.312 -6.083 -9.194 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.555 -5.816 -7.606 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.319 -4.633 -8.914 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.042 -6.766 -11.106 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.965 -5.354 -10.992 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.279 -6.995 -11.031 1.00 0.00 H new ATOM 1183 N SER A 79 -5.774 -6.473 -9.572 1.00 0.00 N ATOM 1184 CA SER A 79 -4.491 -7.165 -9.786 1.00 0.00 C ATOM 1185 C SER A 79 -3.494 -6.845 -8.662 1.00 0.00 C ATOM 1186 O SER A 79 -3.533 -5.749 -8.094 1.00 0.00 O ATOM 1187 CB SER A 79 -3.911 -6.798 -11.155 1.00 0.00 C ATOM 1188 OG SER A 79 -2.818 -7.648 -11.460 1.00 0.00 O ATOM 0 H SER A 79 -5.874 -5.633 -10.142 1.00 0.00 H new ATOM 0 HA SER A 79 -4.675 -8.239 -9.766 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.680 -6.891 -11.922 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.585 -5.758 -11.154 1.00 0.00 H new ATOM 0 HG SER A 79 -2.453 -7.409 -12.337 1.00 0.00 H new ATOM 1194 N ILE A 80 -2.614 -7.793 -8.321 1.00 0.00 N ATOM 1195 CA ILE A 80 -1.772 -7.749 -7.112 1.00 0.00 C ATOM 1196 C ILE A 80 -0.350 -8.327 -7.312 1.00 0.00 C ATOM 1197 O ILE A 80 -0.160 -9.174 -8.192 1.00 0.00 O ATOM 1198 CB ILE A 80 -2.479 -8.465 -5.933 1.00 0.00 C ATOM 1199 CG1 ILE A 80 -2.774 -9.951 -6.204 1.00 0.00 C ATOM 1200 CG2 ILE A 80 -3.745 -7.711 -5.491 1.00 0.00 C ATOM 1201 CD1 ILE A 80 -3.249 -10.657 -4.932 1.00 0.00 C ATOM 0 H ILE A 80 -2.461 -8.629 -8.885 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.639 -6.692 -6.881 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.768 -8.448 -5.107 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.536 -10.039 -6.979 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.877 -10.440 -6.582 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -4.214 -8.242 -4.663 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.476 -6.704 -5.171 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.443 -7.652 -6.326 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.450 -11.706 -5.151 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.475 -10.588 -4.167 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.160 -10.181 -4.570 1.00 0.00 H new ATOM 1213 N PRO A 81 0.648 -7.916 -6.496 1.00 0.00 N ATOM 1214 CA PRO A 81 0.587 -6.815 -5.529 1.00 0.00 C ATOM 1215 C PRO A 81 0.491 -5.463 -6.241 1.00 0.00 C ATOM 1216 O PRO A 81 1.174 -5.250 -7.244 1.00 0.00 O ATOM 1217 CB PRO A 81 1.887 -6.893 -4.721 1.00 0.00 C ATOM 1218 CG PRO A 81 2.869 -7.528 -5.702 1.00 0.00 C ATOM 1219 CD PRO A 81 1.987 -8.486 -6.504 1.00 0.00 C ATOM 0 HA PRO A 81 -0.294 -6.902 -4.893 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.221 -5.907 -4.399 1.00 0.00 H new ATOM 0 HB3 PRO A 81 1.767 -7.498 -3.822 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.339 -6.781 -6.342 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.671 -8.055 -5.185 1.00 0.00 H new ATOM 0 HD2 PRO A 81 2.357 -8.593 -7.524 1.00 0.00 H new ATOM 0 HD3 PRO A 81 1.988 -9.481 -6.058 1.00 0.00 H new ATOM 1227 N THR A 82 -0.314 -4.546 -5.702 1.00 0.00 N ATOM 1228 CA THR A 82 -0.414 -3.168 -6.208 1.00 0.00 C ATOM 1229 C THR A 82 -0.351 -2.169 -5.061 1.00 0.00 C ATOM 1230 O THR A 82 -1.196 -2.164 -4.168 1.00 0.00 O ATOM 1231 CB THR A 82 -1.676 -2.934 -7.055 1.00 0.00 C ATOM 1232 OG1 THR A 82 -1.657 -3.769 -8.190 1.00 0.00 O ATOM 1233 CG2 THR A 82 -1.740 -1.502 -7.596 1.00 0.00 C ATOM 0 H THR A 82 -0.917 -4.734 -4.901 1.00 0.00 H new ATOM 0 HA THR A 82 0.442 -3.014 -6.865 1.00 0.00 H new ATOM 0 HB THR A 82 -2.526 -3.138 -6.403 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.368 -4.439 -8.115 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.646 -1.377 -8.189 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.752 -0.799 -6.763 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.868 -1.310 -8.221 1.00 0.00 H new ATOM 1241 N LEU A 83 0.640 -1.286 -5.119 1.00 0.00 N ATOM 1242 CA LEU A 83 0.865 -0.199 -4.182 1.00 0.00 C ATOM 1243 C LEU A 83 0.253 1.081 -4.768 1.00 0.00 C ATOM 1244 O LEU A 83 0.478 1.386 -5.941 1.00 0.00 O ATOM 1245 CB LEU A 83 2.372 -0.009 -3.926 1.00 0.00 C ATOM 1246 CG LEU A 83 3.168 -1.169 -3.288 1.00 0.00 C ATOM 1247 CD1 LEU A 83 3.279 -2.447 -4.128 1.00 0.00 C ATOM 1248 CD2 LEU A 83 4.607 -0.698 -3.067 1.00 0.00 C ATOM 0 H LEU A 83 1.341 -1.313 -5.859 1.00 0.00 H new ATOM 0 HA LEU A 83 0.394 -0.431 -3.227 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.842 0.229 -4.880 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.491 0.865 -3.286 1.00 0.00 H new ATOM 0 HG LEU A 83 2.616 -1.419 -2.382 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.858 -3.192 -3.582 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.282 -2.838 -4.329 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.777 -2.221 -5.071 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.188 -1.503 -2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.050 -0.422 -4.024 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.609 0.167 -2.403 1.00 0.00 H new ATOM 1260 N ILE A 84 -0.471 1.848 -3.958 1.00 0.00 N ATOM 1261 CA ILE A 84 -0.984 3.183 -4.303 1.00 0.00 C ATOM 1262 C ILE A 84 -0.653 4.194 -3.198 1.00 0.00 C ATOM 1263 O ILE A 84 -0.921 3.957 -2.020 1.00 0.00 O ATOM 1264 CB ILE A 84 -2.489 3.146 -4.663 1.00 0.00 C ATOM 1265 CG1 ILE A 84 -2.958 4.559 -5.079 1.00 0.00 C ATOM 1266 CG2 ILE A 84 -3.351 2.559 -3.538 1.00 0.00 C ATOM 1267 CD1 ILE A 84 -4.345 4.591 -5.724 1.00 0.00 C ATOM 0 H ILE A 84 -0.728 1.555 -3.015 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.475 3.523 -5.205 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.619 2.472 -5.509 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.963 5.202 -4.199 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -2.234 4.980 -5.777 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.397 2.557 -3.844 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.032 1.538 -3.330 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.237 3.165 -2.639 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.600 5.618 -5.987 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.342 3.976 -6.624 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.082 4.202 -5.021 1.00 0.00 H new ATOM 1279 N LEU A 85 -0.069 5.329 -3.582 1.00 0.00 N ATOM 1280 CA LEU A 85 0.291 6.428 -2.689 1.00 0.00 C ATOM 1281 C LEU A 85 -0.709 7.579 -2.824 1.00 0.00 C ATOM 1282 O LEU A 85 -1.013 7.998 -3.943 1.00 0.00 O ATOM 1283 CB LEU A 85 1.743 6.863 -2.971 1.00 0.00 C ATOM 1284 CG LEU A 85 2.418 7.603 -1.798 1.00 0.00 C ATOM 1285 CD1 LEU A 85 3.924 7.342 -1.815 1.00 0.00 C ATOM 1286 CD2 LEU A 85 2.215 9.117 -1.863 1.00 0.00 C ATOM 0 H LEU A 85 0.174 5.514 -4.555 1.00 0.00 H new ATOM 0 HA LEU A 85 0.242 6.097 -1.652 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.334 5.981 -3.218 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.753 7.510 -3.848 1.00 0.00 H new ATOM 0 HG LEU A 85 1.954 7.223 -0.888 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.394 7.868 -0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.109 6.272 -1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.345 7.700 -2.755 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.711 9.587 -1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.640 9.502 -2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.149 9.343 -1.832 1.00 0.00 H new ATOM 1298 N PHE A 86 -1.173 8.119 -1.698 1.00 0.00 N ATOM 1299 CA PHE A 86 -1.982 9.336 -1.616 1.00 0.00 C ATOM 1300 C PHE A 86 -1.252 10.438 -0.830 1.00 0.00 C ATOM 1301 O PHE A 86 -0.534 10.153 0.132 1.00 0.00 O ATOM 1302 CB PHE A 86 -3.344 9.045 -0.964 1.00 0.00 C ATOM 1303 CG PHE A 86 -4.174 7.946 -1.600 1.00 0.00 C ATOM 1304 CD1 PHE A 86 -3.956 6.602 -1.241 1.00 0.00 C ATOM 1305 CD2 PHE A 86 -5.208 8.264 -2.502 1.00 0.00 C ATOM 1306 CE1 PHE A 86 -4.769 5.588 -1.774 1.00 0.00 C ATOM 1307 CE2 PHE A 86 -6.011 7.247 -3.049 1.00 0.00 C ATOM 1308 CZ PHE A 86 -5.797 5.908 -2.678 1.00 0.00 C ATOM 0 H PHE A 86 -0.989 7.706 -0.783 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.146 9.688 -2.634 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -3.174 8.784 0.081 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.930 9.964 -0.972 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.162 6.350 -0.554 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -5.385 9.294 -2.775 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.604 4.560 -1.488 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -6.791 7.495 -3.753 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.421 5.127 -3.087 1.00 0.00 H new ATOM 1318 N LYS A 87 -1.497 11.700 -1.196 1.00 0.00 N ATOM 1319 CA LYS A 87 -1.181 12.891 -0.388 1.00 0.00 C ATOM 1320 C LYS A 87 -2.454 13.716 -0.199 1.00 0.00 C ATOM 1321 O LYS A 87 -3.160 13.971 -1.169 1.00 0.00 O ATOM 1322 CB LYS A 87 -0.076 13.746 -1.031 1.00 0.00 C ATOM 1323 CG LYS A 87 1.323 13.117 -0.907 1.00 0.00 C ATOM 1324 CD LYS A 87 2.368 13.975 -1.639 1.00 0.00 C ATOM 1325 CE LYS A 87 3.796 13.528 -1.323 1.00 0.00 C ATOM 1326 NZ LYS A 87 4.797 14.438 -1.948 1.00 0.00 N ATOM 0 H LYS A 87 -1.933 11.932 -2.088 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.803 12.561 0.580 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.308 13.896 -2.085 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -0.068 14.730 -0.563 1.00 0.00 H new ATOM 0 HG2 LYS A 87 1.594 13.023 0.145 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.314 12.110 -1.325 1.00 0.00 H new ATOM 0 HD2 LYS A 87 2.198 13.915 -2.714 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.243 15.020 -1.355 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.943 13.508 -0.243 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.950 12.511 -1.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.756 14.110 -1.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.670 14.437 -2.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.664 15.403 -1.584 1.00 0.00 H new ATOM 1340 N ASP A 88 -2.759 14.115 1.036 1.00 0.00 N ATOM 1341 CA ASP A 88 -3.943 14.923 1.393 1.00 0.00 C ATOM 1342 C ASP A 88 -5.283 14.397 0.811 1.00 0.00 C ATOM 1343 O ASP A 88 -6.177 15.166 0.447 1.00 0.00 O ATOM 1344 CB ASP A 88 -3.657 16.408 1.101 1.00 0.00 C ATOM 1345 CG ASP A 88 -4.602 17.356 1.860 1.00 0.00 C ATOM 1346 OD1 ASP A 88 -4.688 17.239 3.106 1.00 0.00 O ATOM 1347 OD2 ASP A 88 -5.198 18.263 1.231 1.00 0.00 O ATOM 0 H ASP A 88 -2.179 13.883 1.842 1.00 0.00 H new ATOM 0 HA ASP A 88 -4.108 14.819 2.465 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -2.626 16.635 1.373 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.752 16.588 0.030 1.00 0.00 H new ATOM 1352 N GLY A 89 -5.411 13.070 0.682 1.00 0.00 N ATOM 1353 CA GLY A 89 -6.593 12.384 0.142 1.00 0.00 C ATOM 1354 C GLY A 89 -6.767 12.396 -1.384 1.00 0.00 C ATOM 1355 O GLY A 89 -7.839 12.020 -1.861 1.00 0.00 O ATOM 0 H GLY A 89 -4.672 12.424 0.959 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.563 11.346 0.472 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.480 12.834 0.588 1.00 0.00 H new ATOM 1359 N GLN A 90 -5.741 12.771 -2.159 1.00 0.00 N ATOM 1360 CA GLN A 90 -5.681 12.571 -3.618 1.00 0.00 C ATOM 1361 C GLN A 90 -4.531 11.622 -4.014 1.00 0.00 C ATOM 1362 O GLN A 90 -3.492 11.625 -3.345 1.00 0.00 O ATOM 1363 CB GLN A 90 -5.620 13.916 -4.369 1.00 0.00 C ATOM 1364 CG GLN A 90 -4.466 14.842 -3.948 1.00 0.00 C ATOM 1365 CD GLN A 90 -4.340 16.106 -4.802 1.00 0.00 C ATOM 1366 OE1 GLN A 90 -5.097 16.371 -5.729 1.00 0.00 O ATOM 1367 NE2 GLN A 90 -3.367 16.947 -4.519 1.00 0.00 N ATOM 0 H GLN A 90 -4.911 13.231 -1.785 1.00 0.00 H new ATOM 0 HA GLN A 90 -6.606 12.083 -3.924 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -5.534 13.715 -5.437 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -6.562 14.443 -4.218 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -4.607 15.132 -2.907 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -3.530 14.286 -4.000 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -2.726 16.746 -3.752 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -3.254 17.800 -5.067 1.00 0.00 H new ATOM 1376 N PRO A 91 -4.683 10.789 -5.065 1.00 0.00 N ATOM 1377 CA PRO A 91 -3.661 9.828 -5.486 1.00 0.00 C ATOM 1378 C PRO A 91 -2.451 10.511 -6.150 1.00 0.00 C ATOM 1379 O PRO A 91 -2.575 11.554 -6.794 1.00 0.00 O ATOM 1380 CB PRO A 91 -4.374 8.857 -6.431 1.00 0.00 C ATOM 1381 CG PRO A 91 -5.470 9.724 -7.051 1.00 0.00 C ATOM 1382 CD PRO A 91 -5.871 10.644 -5.898 1.00 0.00 C ATOM 0 HA PRO A 91 -3.236 9.304 -4.630 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.697 8.460 -7.187 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -4.789 8.004 -5.895 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.103 10.288 -7.909 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -6.310 9.124 -7.400 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.207 11.612 -6.270 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -6.697 10.218 -5.328 1.00 0.00 H new ATOM 1390 N VAL A 92 -1.272 9.903 -5.981 1.00 0.00 N ATOM 1391 CA VAL A 92 0.045 10.486 -6.311 1.00 0.00 C ATOM 1392 C VAL A 92 0.934 9.530 -7.121 1.00 0.00 C ATOM 1393 O VAL A 92 1.564 9.962 -8.089 1.00 0.00 O ATOM 1394 CB VAL A 92 0.746 10.929 -5.005 1.00 0.00 C ATOM 1395 CG1 VAL A 92 2.174 11.444 -5.230 1.00 0.00 C ATOM 1396 CG2 VAL A 92 -0.035 12.062 -4.339 1.00 0.00 C ATOM 0 H VAL A 92 -1.199 8.960 -5.598 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.122 11.352 -6.952 1.00 0.00 H new ATOM 0 HB VAL A 92 0.784 10.038 -4.379 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.609 11.738 -4.275 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.779 10.655 -5.677 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.149 12.305 -5.898 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.471 12.362 -3.421 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.091 12.913 -5.018 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.042 11.719 -4.102 1.00 0.00 H new ATOM 1406 N LYS A 93 0.987 8.240 -6.756 1.00 0.00 N ATOM 1407 CA LYS A 93 1.851 7.215 -7.380 1.00 0.00 C ATOM 1408 C LYS A 93 1.190 5.833 -7.325 1.00 0.00 C ATOM 1409 O LYS A 93 0.514 5.521 -6.346 1.00 0.00 O ATOM 1410 CB LYS A 93 3.220 7.229 -6.657 1.00 0.00 C ATOM 1411 CG LYS A 93 4.259 6.185 -7.102 1.00 0.00 C ATOM 1412 CD LYS A 93 4.759 6.372 -8.541 1.00 0.00 C ATOM 1413 CE LYS A 93 5.809 5.296 -8.838 1.00 0.00 C ATOM 1414 NZ LYS A 93 6.388 5.433 -10.197 1.00 0.00 N ATOM 0 H LYS A 93 0.416 7.866 -5.998 1.00 0.00 H new ATOM 0 HA LYS A 93 2.001 7.442 -8.435 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.659 8.219 -6.784 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.041 7.094 -5.590 1.00 0.00 H new ATOM 0 HG2 LYS A 93 5.112 6.225 -6.424 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.823 5.191 -7.007 1.00 0.00 H new ATOM 0 HD2 LYS A 93 3.929 6.294 -9.243 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.190 7.365 -8.666 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.607 5.356 -8.098 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.354 4.310 -8.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.306 4.945 -10.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 5.742 5.009 -10.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.522 6.441 -10.417 1.00 0.00 H new ATOM 1428 N ARG A 94 1.419 4.992 -8.339 1.00 0.00 N ATOM 1429 CA ARG A 94 1.091 3.551 -8.350 1.00 0.00 C ATOM 1430 C ARG A 94 2.289 2.691 -8.767 1.00 0.00 C ATOM 1431 O ARG A 94 3.089 3.108 -9.606 1.00 0.00 O ATOM 1432 CB ARG A 94 -0.139 3.261 -9.230 1.00 0.00 C ATOM 1433 CG ARG A 94 -1.443 3.763 -8.584 1.00 0.00 C ATOM 1434 CD ARG A 94 -2.686 3.372 -9.393 1.00 0.00 C ATOM 1435 NE ARG A 94 -2.741 4.055 -10.701 1.00 0.00 N ATOM 1436 CZ ARG A 94 -3.667 3.901 -11.633 1.00 0.00 C ATOM 1437 NH1 ARG A 94 -4.676 3.090 -11.480 1.00 0.00 N ATOM 1438 NH2 ARG A 94 -3.595 4.566 -12.749 1.00 0.00 N ATOM 0 H ARG A 94 1.853 5.301 -9.209 1.00 0.00 H new ATOM 0 HA ARG A 94 0.840 3.275 -7.326 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -0.009 3.737 -10.202 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -0.212 2.188 -9.408 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.526 3.356 -7.576 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -1.403 4.848 -8.487 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -2.691 2.293 -9.548 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -3.581 3.616 -8.820 1.00 0.00 H new ATOM 0 HE ARG A 94 -1.989 4.712 -10.907 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -4.770 2.549 -10.620 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -5.372 2.996 -12.220 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -2.821 5.211 -12.909 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -4.312 4.442 -13.463 1.00 0.00 H new ATOM 1452 N ILE A 95 2.409 1.506 -8.169 1.00 0.00 N ATOM 1453 CA ILE A 95 3.420 0.472 -8.469 1.00 0.00 C ATOM 1454 C ILE A 95 2.708 -0.891 -8.497 1.00 0.00 C ATOM 1455 O ILE A 95 1.903 -1.160 -7.610 1.00 0.00 O ATOM 1456 CB ILE A 95 4.566 0.460 -7.417 1.00 0.00 C ATOM 1457 CG1 ILE A 95 5.099 1.867 -7.038 1.00 0.00 C ATOM 1458 CG2 ILE A 95 5.725 -0.421 -7.922 1.00 0.00 C ATOM 1459 CD1 ILE A 95 5.912 1.899 -5.736 1.00 0.00 C ATOM 0 H ILE A 95 1.775 1.219 -7.423 1.00 0.00 H new ATOM 0 HA ILE A 95 3.880 0.689 -9.433 1.00 0.00 H new ATOM 0 HB ILE A 95 4.135 0.048 -6.505 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.721 2.239 -7.852 1.00 0.00 H new ATOM 0 HG13 ILE A 95 4.255 2.550 -6.944 1.00 0.00 H new ATOM 0 HG21 ILE A 95 6.526 -0.427 -7.183 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.367 -1.439 -8.078 1.00 0.00 H new ATOM 0 HG23 ILE A 95 6.103 -0.021 -8.863 1.00 0.00 H new ATOM 0 HD11 ILE A 95 6.248 2.918 -5.542 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.288 1.559 -4.909 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.777 1.243 -5.831 1.00 0.00 H new ATOM 1471 N VAL A 96 2.991 -1.765 -9.467 1.00 0.00 N ATOM 1472 CA VAL A 96 2.419 -3.131 -9.540 1.00 0.00 C ATOM 1473 C VAL A 96 3.496 -4.181 -9.835 1.00 0.00 C ATOM 1474 O VAL A 96 4.437 -3.929 -10.594 1.00 0.00 O ATOM 1475 CB VAL A 96 1.201 -3.202 -10.494 1.00 0.00 C ATOM 1476 CG1 VAL A 96 1.492 -2.619 -11.885 1.00 0.00 C ATOM 1477 CG2 VAL A 96 0.644 -4.618 -10.688 1.00 0.00 C ATOM 0 H VAL A 96 3.628 -1.552 -10.235 1.00 0.00 H new ATOM 0 HA VAL A 96 2.027 -3.378 -8.554 1.00 0.00 H new ATOM 0 HB VAL A 96 0.453 -2.594 -9.986 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.600 -2.698 -12.506 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.775 -1.571 -11.788 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.308 -3.174 -12.349 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.207 -4.584 -11.369 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.419 -5.260 -11.107 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.323 -5.018 -9.726 1.00 0.00 H new ATOM 1487 N GLY A 97 3.361 -5.358 -9.218 1.00 0.00 N ATOM 1488 CA GLY A 97 4.360 -6.432 -9.226 1.00 0.00 C ATOM 1489 C GLY A 97 5.461 -6.244 -8.171 1.00 0.00 C ATOM 1490 O GLY A 97 5.657 -5.150 -7.633 1.00 0.00 O ATOM 0 H GLY A 97 2.527 -5.598 -8.682 1.00 0.00 H new ATOM 0 HA2 GLY A 97 3.860 -7.385 -9.054 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.818 -6.486 -10.214 1.00 0.00 H new ATOM 1494 N ALA A 98 6.170 -7.327 -7.842 1.00 0.00 N ATOM 1495 CA ALA A 98 7.213 -7.321 -6.814 1.00 0.00 C ATOM 1496 C ALA A 98 8.523 -6.678 -7.305 1.00 0.00 C ATOM 1497 O ALA A 98 9.015 -6.997 -8.393 1.00 0.00 O ATOM 1498 CB ALA A 98 7.441 -8.752 -6.316 1.00 0.00 C ATOM 0 H ALA A 98 6.036 -8.237 -8.284 1.00 0.00 H new ATOM 0 HA ALA A 98 6.871 -6.701 -5.985 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.217 -8.752 -5.550 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.515 -9.142 -5.894 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.754 -9.382 -7.149 1.00 0.00 H new ATOM 1504 N LYS A 99 9.107 -5.806 -6.473 1.00 0.00 N ATOM 1505 CA LYS A 99 10.438 -5.196 -6.653 1.00 0.00 C ATOM 1506 C LYS A 99 11.235 -5.282 -5.341 1.00 0.00 C ATOM 1507 O LYS A 99 10.637 -5.268 -4.262 1.00 0.00 O ATOM 1508 CB LYS A 99 10.305 -3.747 -7.175 1.00 0.00 C ATOM 1509 CG LYS A 99 9.522 -3.668 -8.498 1.00 0.00 C ATOM 1510 CD LYS A 99 9.553 -2.275 -9.142 1.00 0.00 C ATOM 1511 CE LYS A 99 8.737 -2.321 -10.444 1.00 0.00 C ATOM 1512 NZ LYS A 99 8.906 -1.095 -11.267 1.00 0.00 N ATOM 0 H LYS A 99 8.648 -5.491 -5.618 1.00 0.00 H new ATOM 0 HA LYS A 99 10.995 -5.750 -7.409 1.00 0.00 H new ATOM 0 HB2 LYS A 99 9.804 -3.138 -6.423 1.00 0.00 H new ATOM 0 HB3 LYS A 99 11.299 -3.323 -7.319 1.00 0.00 H new ATOM 0 HG2 LYS A 99 9.934 -4.394 -9.199 1.00 0.00 H new ATOM 0 HG3 LYS A 99 8.486 -3.953 -8.316 1.00 0.00 H new ATOM 0 HD2 LYS A 99 9.137 -1.533 -8.460 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.581 -1.976 -9.349 1.00 0.00 H new ATOM 0 HE2 LYS A 99 9.039 -3.191 -11.028 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.682 -2.450 -10.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.477 -1.243 -12.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 8.441 -0.293 -10.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 9.919 -0.889 -11.380 1.00 0.00 H new ATOM 1526 N GLY A 100 12.565 -5.377 -5.417 1.00 0.00 N ATOM 1527 CA GLY A 100 13.442 -5.428 -4.245 1.00 0.00 C ATOM 1528 C GLY A 100 13.594 -4.051 -3.603 1.00 0.00 C ATOM 1529 O GLY A 100 13.248 -3.040 -4.212 1.00 0.00 O ATOM 0 H GLY A 100 13.068 -5.421 -6.303 1.00 0.00 H new ATOM 0 HA2 GLY A 100 13.036 -6.129 -3.515 1.00 0.00 H new ATOM 0 HA3 GLY A 100 14.422 -5.805 -4.538 1.00 0.00 H new ATOM 1533 N LYS A 101 14.143 -4.001 -2.386 1.00 0.00 N ATOM 1534 CA LYS A 101 14.298 -2.779 -1.566 1.00 0.00 C ATOM 1535 C LYS A 101 14.826 -1.565 -2.327 1.00 0.00 C ATOM 1536 O LYS A 101 14.329 -0.459 -2.129 1.00 0.00 O ATOM 1537 CB LYS A 101 15.230 -3.108 -0.387 1.00 0.00 C ATOM 1538 CG LYS A 101 15.354 -2.017 0.690 1.00 0.00 C ATOM 1539 CD LYS A 101 14.038 -1.747 1.440 1.00 0.00 C ATOM 1540 CE LYS A 101 14.189 -0.702 2.551 1.00 0.00 C ATOM 1541 NZ LYS A 101 15.180 -1.115 3.580 1.00 0.00 N ATOM 0 H LYS A 101 14.506 -4.834 -1.922 1.00 0.00 H new ATOM 0 HA LYS A 101 13.302 -2.491 -1.229 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.876 -4.023 0.088 1.00 0.00 H new ATOM 0 HB3 LYS A 101 16.224 -3.318 -0.781 1.00 0.00 H new ATOM 0 HG2 LYS A 101 16.119 -2.311 1.408 1.00 0.00 H new ATOM 0 HG3 LYS A 101 15.694 -1.093 0.223 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.284 -1.409 0.730 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.674 -2.679 1.872 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.496 0.248 2.114 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.222 -0.537 3.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 15.048 -0.543 4.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 15.044 -2.120 3.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 16.142 -0.971 3.213 1.00 0.00 H new ATOM 1555 N ALA A 102 15.788 -1.780 -3.218 1.00 0.00 N ATOM 1556 CA ALA A 102 16.420 -0.704 -3.987 1.00 0.00 C ATOM 1557 C ALA A 102 15.457 -0.094 -5.025 1.00 0.00 C ATOM 1558 O ALA A 102 15.278 1.124 -5.080 1.00 0.00 O ATOM 1559 CB ALA A 102 17.701 -1.249 -4.631 1.00 0.00 C ATOM 0 H ALA A 102 16.155 -2.707 -3.431 1.00 0.00 H new ATOM 0 HA ALA A 102 16.680 0.115 -3.316 1.00 0.00 H new ATOM 0 HB1 ALA A 102 18.183 -0.459 -5.207 1.00 0.00 H new ATOM 0 HB2 ALA A 102 18.380 -1.596 -3.853 1.00 0.00 H new ATOM 0 HB3 ALA A 102 17.451 -2.079 -5.292 1.00 0.00 H new ATOM 1565 N ALA A 103 14.791 -0.941 -5.814 1.00 0.00 N ATOM 1566 CA ALA A 103 13.844 -0.521 -6.847 1.00 0.00 C ATOM 1567 C ALA A 103 12.492 -0.061 -6.264 1.00 0.00 C ATOM 1568 O ALA A 103 11.926 0.923 -6.742 1.00 0.00 O ATOM 1569 CB ALA A 103 13.700 -1.672 -7.847 1.00 0.00 C ATOM 0 H ALA A 103 14.897 -1.954 -5.751 1.00 0.00 H new ATOM 0 HA ALA A 103 14.229 0.360 -7.360 1.00 0.00 H new ATOM 0 HB1 ALA A 103 12.998 -1.387 -8.631 1.00 0.00 H new ATOM 0 HB2 ALA A 103 14.671 -1.892 -8.291 1.00 0.00 H new ATOM 0 HB3 ALA A 103 13.328 -2.558 -7.331 1.00 0.00 H new ATOM 1575 N LEU A 104 12.000 -0.708 -5.198 1.00 0.00 N ATOM 1576 CA LEU A 104 10.779 -0.312 -4.494 1.00 0.00 C ATOM 1577 C LEU A 104 10.987 1.046 -3.800 1.00 0.00 C ATOM 1578 O LEU A 104 10.183 1.960 -3.997 1.00 0.00 O ATOM 1579 CB LEU A 104 10.394 -1.450 -3.522 1.00 0.00 C ATOM 1580 CG LEU A 104 8.918 -1.572 -3.091 1.00 0.00 C ATOM 1581 CD1 LEU A 104 8.386 -0.329 -2.387 1.00 0.00 C ATOM 1582 CD2 LEU A 104 7.996 -1.917 -4.261 1.00 0.00 C ATOM 0 H LEU A 104 12.448 -1.532 -4.797 1.00 0.00 H new ATOM 0 HA LEU A 104 9.948 -0.168 -5.185 1.00 0.00 H new ATOM 0 HB2 LEU A 104 10.686 -2.394 -3.982 1.00 0.00 H new ATOM 0 HB3 LEU A 104 10.996 -1.336 -2.620 1.00 0.00 H new ATOM 0 HG LEU A 104 8.912 -2.394 -2.375 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.343 -0.485 -2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.974 -0.140 -1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.461 0.528 -3.056 1.00 0.00 H new ATOM 0 HD21 LEU A 104 6.969 -1.991 -3.905 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.062 -1.136 -5.019 1.00 0.00 H new ATOM 0 HD23 LEU A 104 8.300 -2.870 -4.695 1.00 0.00 H new ATOM 1594 N LEU A 105 12.109 1.243 -3.087 1.00 0.00 N ATOM 1595 CA LEU A 105 12.437 2.569 -2.557 1.00 0.00 C ATOM 1596 C LEU A 105 12.726 3.565 -3.676 1.00 0.00 C ATOM 1597 O LEU A 105 12.368 4.700 -3.471 1.00 0.00 O ATOM 1598 CB LEU A 105 13.542 2.543 -1.482 1.00 0.00 C ATOM 1599 CG LEU A 105 13.812 3.855 -0.687 1.00 0.00 C ATOM 1600 CD1 LEU A 105 14.866 4.750 -1.334 1.00 0.00 C ATOM 1601 CD2 LEU A 105 12.591 4.674 -0.261 1.00 0.00 C ATOM 0 H LEU A 105 12.789 0.515 -2.870 1.00 0.00 H new ATOM 0 HA LEU A 105 11.546 2.920 -2.037 1.00 0.00 H new ATOM 0 HB2 LEU A 105 13.293 1.762 -0.764 1.00 0.00 H new ATOM 0 HB3 LEU A 105 14.473 2.247 -1.965 1.00 0.00 H new ATOM 0 HG LEU A 105 14.211 3.458 0.246 1.00 0.00 H new ATOM 0 HD11 LEU A 105 15.004 5.646 -0.728 1.00 0.00 H new ATOM 0 HD12 LEU A 105 15.810 4.209 -1.403 1.00 0.00 H new ATOM 0 HD13 LEU A 105 14.537 5.035 -2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 105 12.919 5.560 0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 105 12.030 4.978 -1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 105 11.953 4.068 0.383 1.00 0.00 H new ATOM 1613 N ARG A 106 13.246 3.236 -4.866 1.00 0.00 N ATOM 1614 CA ARG A 106 13.324 4.235 -5.965 1.00 0.00 C ATOM 1615 C ARG A 106 11.942 4.739 -6.413 1.00 0.00 C ATOM 1616 O ARG A 106 11.678 5.954 -6.450 1.00 0.00 O ATOM 1617 CB ARG A 106 14.151 3.686 -7.146 1.00 0.00 C ATOM 1618 CG ARG A 106 15.625 4.107 -7.043 1.00 0.00 C ATOM 1619 CD ARG A 106 15.794 5.585 -7.433 1.00 0.00 C ATOM 1620 NE ARG A 106 17.108 6.123 -7.033 1.00 0.00 N ATOM 1621 CZ ARG A 106 17.351 7.287 -6.452 1.00 0.00 C ATOM 1622 NH1 ARG A 106 16.408 8.089 -6.040 1.00 0.00 N ATOM 1623 NH2 ARG A 106 18.580 7.677 -6.271 1.00 0.00 N ATOM 0 H ARG A 106 13.613 2.313 -5.099 1.00 0.00 H new ATOM 0 HA ARG A 106 13.842 5.108 -5.568 1.00 0.00 H new ATOM 0 HB2 ARG A 106 14.082 2.598 -7.165 1.00 0.00 H new ATOM 0 HB3 ARG A 106 13.732 4.049 -8.085 1.00 0.00 H new ATOM 0 HG2 ARG A 106 15.983 3.950 -6.026 1.00 0.00 H new ATOM 0 HG3 ARG A 106 16.234 3.481 -7.695 1.00 0.00 H new ATOM 0 HD2 ARG A 106 15.674 5.690 -8.511 1.00 0.00 H new ATOM 0 HD3 ARG A 106 15.005 6.174 -6.966 1.00 0.00 H new ATOM 0 HE ARG A 106 17.918 5.533 -7.225 1.00 0.00 H new ATOM 0 HH11 ARG A 106 15.429 7.829 -6.160 1.00 0.00 H new ATOM 0 HH12 ARG A 106 16.650 8.976 -5.598 1.00 0.00 H new ATOM 0 HH21 ARG A 106 19.353 7.086 -6.577 1.00 0.00 H new ATOM 0 HH22 ARG A 106 18.770 8.574 -5.823 1.00 0.00 H new ATOM 1637 N GLU A 107 11.038 3.796 -6.658 1.00 0.00 N ATOM 1638 CA GLU A 107 9.645 4.063 -7.035 1.00 0.00 C ATOM 1639 C GLU A 107 8.897 4.889 -5.973 1.00 0.00 C ATOM 1640 O GLU A 107 8.071 5.733 -6.324 1.00 0.00 O ATOM 1641 CB GLU A 107 8.929 2.735 -7.288 1.00 0.00 C ATOM 1642 CG GLU A 107 9.428 2.019 -8.550 1.00 0.00 C ATOM 1643 CD GLU A 107 8.611 2.377 -9.800 1.00 0.00 C ATOM 1644 OE1 GLU A 107 8.434 3.582 -10.101 1.00 0.00 O ATOM 1645 OE2 GLU A 107 8.148 1.440 -10.491 1.00 0.00 O ATOM 0 H GLU A 107 11.254 2.801 -6.600 1.00 0.00 H new ATOM 0 HA GLU A 107 9.651 4.662 -7.946 1.00 0.00 H new ATOM 0 HB2 GLU A 107 9.070 2.082 -6.426 1.00 0.00 H new ATOM 0 HB3 GLU A 107 7.858 2.917 -7.379 1.00 0.00 H new ATOM 0 HG2 GLU A 107 10.474 2.277 -8.719 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.387 0.941 -8.391 1.00 0.00 H new ATOM 1652 N LEU A 108 9.226 4.709 -4.686 1.00 0.00 N ATOM 1653 CA LEU A 108 8.763 5.574 -3.591 1.00 0.00 C ATOM 1654 C LEU A 108 9.638 6.819 -3.373 1.00 0.00 C ATOM 1655 O LEU A 108 9.144 7.815 -2.852 1.00 0.00 O ATOM 1656 CB LEU A 108 8.650 4.753 -2.295 1.00 0.00 C ATOM 1657 CG LEU A 108 7.647 3.589 -2.370 1.00 0.00 C ATOM 1658 CD1 LEU A 108 7.659 2.822 -1.048 1.00 0.00 C ATOM 1659 CD2 LEU A 108 6.211 4.051 -2.623 1.00 0.00 C ATOM 0 H LEU A 108 9.829 3.949 -4.372 1.00 0.00 H new ATOM 0 HA LEU A 108 7.782 5.952 -3.881 1.00 0.00 H new ATOM 0 HB2 LEU A 108 9.633 4.355 -2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 108 8.358 5.417 -1.482 1.00 0.00 H new ATOM 0 HG LEU A 108 7.959 2.966 -3.208 1.00 0.00 H new ATOM 0 HD11 LEU A 108 6.949 1.997 -1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.659 2.429 -0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 108 7.378 3.492 -0.236 1.00 0.00 H new ATOM 0 HD21 LEU A 108 5.552 3.184 -2.665 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.893 4.709 -1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.163 4.589 -3.570 1.00 0.00 H new ATOM 1671 N SER A 109 10.905 6.814 -3.791 1.00 0.00 N ATOM 1672 CA SER A 109 11.866 7.927 -3.650 1.00 0.00 C ATOM 1673 C SER A 109 11.435 9.107 -4.522 1.00 0.00 C ATOM 1674 O SER A 109 11.704 10.263 -4.201 1.00 0.00 O ATOM 1675 CB SER A 109 13.328 7.596 -3.993 1.00 0.00 C ATOM 1676 OG SER A 109 13.595 7.549 -5.387 1.00 0.00 O ATOM 0 H SER A 109 11.314 6.004 -4.257 1.00 0.00 H new ATOM 0 HA SER A 109 11.844 8.163 -2.586 1.00 0.00 H new ATOM 0 HB2 SER A 109 13.977 8.342 -3.534 1.00 0.00 H new ATOM 0 HB3 SER A 109 13.586 6.634 -3.551 1.00 0.00 H new ATOM 0 HG SER A 109 12.846 7.117 -5.849 1.00 0.00 H new ATOM 1682 N ASP A 110 10.690 8.808 -5.596 1.00 0.00 N ATOM 1683 CA ASP A 110 9.916 9.814 -6.348 1.00 0.00 C ATOM 1684 C ASP A 110 9.027 10.723 -5.451 1.00 0.00 C ATOM 1685 O ASP A 110 8.765 11.875 -5.800 1.00 0.00 O ATOM 1686 CB ASP A 110 9.058 9.078 -7.386 1.00 0.00 C ATOM 1687 CG ASP A 110 8.385 10.045 -8.373 1.00 0.00 C ATOM 1688 OD1 ASP A 110 9.106 10.698 -9.166 1.00 0.00 O ATOM 1689 OD2 ASP A 110 7.133 10.128 -8.386 1.00 0.00 O ATOM 0 H ASP A 110 10.605 7.863 -5.970 1.00 0.00 H new ATOM 0 HA ASP A 110 10.625 10.489 -6.827 1.00 0.00 H new ATOM 0 HB2 ASP A 110 9.682 8.374 -7.937 1.00 0.00 H new ATOM 0 HB3 ASP A 110 8.294 8.493 -6.874 1.00 0.00 H new ATOM 1694 N VAL A 111 8.613 10.231 -4.272 1.00 0.00 N ATOM 1695 CA VAL A 111 7.903 10.958 -3.195 1.00 0.00 C ATOM 1696 C VAL A 111 8.764 11.144 -1.925 1.00 0.00 C ATOM 1697 O VAL A 111 8.543 12.092 -1.171 1.00 0.00 O ATOM 1698 CB VAL A 111 6.567 10.236 -2.906 1.00 0.00 C ATOM 1699 CG1 VAL A 111 5.912 10.626 -1.577 1.00 0.00 C ATOM 1700 CG2 VAL A 111 5.569 10.513 -4.038 1.00 0.00 C ATOM 0 H VAL A 111 8.773 9.254 -4.025 1.00 0.00 H new ATOM 0 HA VAL A 111 7.694 11.972 -3.536 1.00 0.00 H new ATOM 0 HB VAL A 111 6.818 9.177 -2.839 1.00 0.00 H new ATOM 0 HG11 VAL A 111 4.981 10.073 -1.454 1.00 0.00 H new ATOM 0 HG12 VAL A 111 6.587 10.387 -0.755 1.00 0.00 H new ATOM 0 HG13 VAL A 111 5.702 11.696 -1.575 1.00 0.00 H new ATOM 0 HG21 VAL A 111 4.630 10.001 -3.828 1.00 0.00 H new ATOM 0 HG22 VAL A 111 5.390 11.586 -4.111 1.00 0.00 H new ATOM 0 HG23 VAL A 111 5.978 10.149 -4.981 1.00 0.00 H new ATOM 1710 N VAL A 112 9.774 10.294 -1.708 1.00 0.00 N ATOM 1711 CA VAL A 112 10.756 10.314 -0.601 1.00 0.00 C ATOM 1712 C VAL A 112 12.154 10.681 -1.148 1.00 0.00 C ATOM 1713 O VAL A 112 13.050 9.831 -1.188 1.00 0.00 O ATOM 1714 CB VAL A 112 10.722 8.964 0.174 1.00 0.00 C ATOM 1715 CG1 VAL A 112 11.568 8.996 1.454 1.00 0.00 C ATOM 1716 CG2 VAL A 112 9.297 8.595 0.619 1.00 0.00 C ATOM 0 H VAL A 112 9.945 9.515 -2.344 1.00 0.00 H new ATOM 0 HA VAL A 112 10.493 11.085 0.123 1.00 0.00 H new ATOM 0 HB VAL A 112 11.120 8.234 -0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.508 8.029 1.954 1.00 0.00 H new ATOM 0 HG12 VAL A 112 12.606 9.209 1.199 1.00 0.00 H new ATOM 0 HG13 VAL A 112 11.192 9.773 2.120 1.00 0.00 H new ATOM 0 HG21 VAL A 112 9.318 7.647 1.156 1.00 0.00 H new ATOM 0 HG22 VAL A 112 8.907 9.374 1.274 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.655 8.502 -0.257 1.00 0.00 H new