USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 680 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 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 4 LYS NZ :NH3+ -157:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -142:sc= 0.57 USER MOD Single : A 9 SER OG : rot 54:sc= -3.44! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 164:sc= 0.501 (180deg=0.347) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -14.1! C(o=-14!,f=-17!) USER MOD Single : A 21 ASN : amide:sc= -0.0826 X(o=-0.083,f=-0.49) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 61:sc= 0.937 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= -0.429 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 1:sc= -4.12! USER MOD Single : A 58 THR OG1 : rot 178:sc= -4.98! USER MOD Single : A 59 SER OG : rot -6:sc= 0.507 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot -88:sc= 0.447! USER MOD Single : A 72 ASN : amide:sc= -1.05 K(o=-1.1,f=0) USER MOD Single : A 73 TYR OH : rot 150:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -144:sc= 1.24 (180deg=0.482) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 169:sc= -0.562 (180deg=-0.842) USER MOD Single : A 79 ASN : amide:sc= -3.62! C(o=-3.6!,f=-2.8!) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.084) USER MOD ----------------------------------------------------------------- ATOM 22 N LYS A 2 19.489 -0.937 2.363 1.00 0.00 N ATOM 23 CA LYS A 2 18.197 -1.672 2.266 1.00 0.00 C ATOM 24 C LYS A 2 17.045 -0.712 2.572 1.00 0.00 C ATOM 25 O LYS A 2 17.255 0.342 3.138 1.00 0.00 O ATOM 26 CB LYS A 2 18.182 -2.823 3.274 1.00 0.00 C ATOM 27 CG LYS A 2 19.495 -3.603 3.184 1.00 0.00 C ATOM 28 CD LYS A 2 20.178 -3.613 4.553 1.00 0.00 C ATOM 29 CE LYS A 2 19.358 -4.462 5.526 1.00 0.00 C ATOM 30 NZ LYS A 2 19.196 -3.727 6.813 1.00 0.00 N ATOM 0 HA LYS A 2 18.083 -2.074 1.259 1.00 0.00 H new ATOM 0 HB2 LYS A 2 18.047 -2.434 4.283 1.00 0.00 H new ATOM 0 HB3 LYS A 2 17.340 -3.485 3.073 1.00 0.00 H new ATOM 0 HG2 LYS A 2 19.302 -4.624 2.855 1.00 0.00 H new ATOM 0 HG3 LYS A 2 20.151 -3.147 2.442 1.00 0.00 H new ATOM 0 HD2 LYS A 2 21.187 -4.015 4.465 1.00 0.00 H new ATOM 0 HD3 LYS A 2 20.272 -2.595 4.932 1.00 0.00 H new ATOM 0 HE2 LYS A 2 18.381 -4.685 5.097 1.00 0.00 H new ATOM 0 HE3 LYS A 2 19.855 -5.416 5.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 18.639 -4.304 7.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 20.132 -3.536 7.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 18.704 -2.827 6.639 1.00 0.00 H new ATOM 44 N PRO A 3 15.859 -1.108 2.190 1.00 0.00 N ATOM 45 CA PRO A 3 14.632 -0.387 2.553 1.00 0.00 C ATOM 46 C PRO A 3 14.221 -0.730 3.986 1.00 0.00 C ATOM 47 O PRO A 3 14.322 -1.861 4.419 1.00 0.00 O ATOM 48 CB PRO A 3 13.598 -0.904 1.551 1.00 0.00 C ATOM 49 CG PRO A 3 14.118 -2.274 1.059 1.00 0.00 C ATOM 50 CD PRO A 3 15.630 -2.308 1.360 1.00 0.00 C ATOM 0 HA PRO A 3 14.744 0.697 2.517 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.619 -1.005 2.020 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.483 -0.210 0.718 1.00 0.00 H new ATOM 0 HG2 PRO A 3 13.604 -3.089 1.568 1.00 0.00 H new ATOM 0 HG3 PRO A 3 13.933 -2.398 -0.008 1.00 0.00 H new ATOM 0 HD2 PRO A 3 15.911 -3.218 1.890 1.00 0.00 H new ATOM 0 HD3 PRO A 3 16.220 -2.277 0.444 1.00 0.00 H new ATOM 58 N LYS A 4 13.760 0.238 4.724 1.00 0.00 N ATOM 59 CA LYS A 4 13.344 -0.028 6.128 1.00 0.00 C ATOM 60 C LYS A 4 11.853 0.246 6.273 1.00 0.00 C ATOM 61 O LYS A 4 11.458 1.277 6.766 1.00 0.00 O ATOM 62 CB LYS A 4 14.125 0.887 7.074 1.00 0.00 C ATOM 63 CG LYS A 4 14.900 0.037 8.083 1.00 0.00 C ATOM 64 CD LYS A 4 16.216 -0.428 7.456 1.00 0.00 C ATOM 65 CE LYS A 4 17.387 0.042 8.320 1.00 0.00 C ATOM 66 NZ LYS A 4 18.130 -1.143 8.835 1.00 0.00 N ATOM 0 H LYS A 4 13.653 1.204 4.415 1.00 0.00 H new ATOM 0 HA LYS A 4 13.550 -1.069 6.378 1.00 0.00 H new ATOM 0 HB2 LYS A 4 14.813 1.513 6.506 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.441 1.557 7.596 1.00 0.00 H new ATOM 0 HG2 LYS A 4 15.099 0.616 8.985 1.00 0.00 H new ATOM 0 HG3 LYS A 4 14.303 -0.825 8.383 1.00 0.00 H new ATOM 0 HD2 LYS A 4 16.226 -1.515 7.371 1.00 0.00 H new ATOM 0 HD3 LYS A 4 16.312 -0.028 6.447 1.00 0.00 H new ATOM 0 HE2 LYS A 4 18.053 0.676 7.735 1.00 0.00 H new ATOM 0 HE3 LYS A 4 17.021 0.645 9.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 18.651 -0.879 9.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 17.458 -1.904 9.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 18.800 -1.474 8.112 1.00 0.00 H new ATOM 80 N ILE A 5 11.019 -0.669 5.854 1.00 0.00 N ATOM 81 CA ILE A 5 9.554 -0.441 5.987 1.00 0.00 C ATOM 82 C ILE A 5 9.142 -0.690 7.430 1.00 0.00 C ATOM 83 O ILE A 5 9.454 -1.710 8.013 1.00 0.00 O ATOM 84 CB ILE A 5 8.782 -1.360 5.034 1.00 0.00 C ATOM 85 CG1 ILE A 5 7.380 -0.781 4.815 1.00 0.00 C ATOM 86 CG2 ILE A 5 8.669 -2.764 5.635 1.00 0.00 C ATOM 87 CD1 ILE A 5 7.079 -0.706 3.317 1.00 0.00 C ATOM 0 H ILE A 5 11.288 -1.557 5.429 1.00 0.00 H new ATOM 0 HA ILE A 5 9.318 0.589 5.720 1.00 0.00 H new ATOM 0 HB ILE A 5 9.311 -1.426 4.083 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.637 -1.404 5.314 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.313 0.212 5.259 1.00 0.00 H new ATOM 0 HG21 ILE A 5 8.119 -3.410 4.950 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.667 -3.172 5.796 1.00 0.00 H new ATOM 0 HG23 ILE A 5 8.141 -2.711 6.587 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.081 -0.294 3.167 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.814 -0.065 2.830 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.127 -1.706 2.886 1.00 0.00 H new ATOM 99 N LEU A 6 8.468 0.254 8.020 1.00 0.00 N ATOM 100 CA LEU A 6 8.066 0.095 9.431 1.00 0.00 C ATOM 101 C LEU A 6 6.558 0.313 9.598 1.00 0.00 C ATOM 102 O LEU A 6 6.013 0.080 10.658 1.00 0.00 O ATOM 103 CB LEU A 6 8.867 1.089 10.280 1.00 0.00 C ATOM 104 CG LEU A 6 8.887 2.490 9.657 1.00 0.00 C ATOM 105 CD1 LEU A 6 9.837 2.489 8.459 1.00 0.00 C ATOM 106 CD2 LEU A 6 7.483 2.906 9.214 1.00 0.00 C ATOM 0 H LEU A 6 8.180 1.128 7.580 1.00 0.00 H new ATOM 0 HA LEU A 6 8.280 -0.921 9.763 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.435 1.143 11.279 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.889 0.728 10.393 1.00 0.00 H new ATOM 0 HG LEU A 6 9.232 3.207 10.402 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.857 3.482 8.010 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.840 2.220 8.790 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.492 1.764 7.722 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.520 3.903 8.775 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.110 2.198 8.474 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.817 2.914 10.077 1.00 0.00 H new ATOM 118 N THR A 7 5.876 0.747 8.565 1.00 0.00 N ATOM 119 CA THR A 7 4.400 0.959 8.684 1.00 0.00 C ATOM 120 C THR A 7 3.781 -0.190 9.487 1.00 0.00 C ATOM 121 O THR A 7 4.273 -1.301 9.474 1.00 0.00 O ATOM 122 CB THR A 7 3.770 0.984 7.289 1.00 0.00 C ATOM 123 OG1 THR A 7 2.427 0.528 7.372 1.00 0.00 O ATOM 124 CG2 THR A 7 4.563 0.071 6.352 1.00 0.00 C ATOM 0 H THR A 7 6.275 0.962 7.651 1.00 0.00 H new ATOM 0 HA THR A 7 4.215 1.907 9.189 1.00 0.00 H new ATOM 0 HB THR A 7 3.787 2.002 6.900 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.217 -0.016 6.584 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.113 0.090 5.359 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.594 0.420 6.290 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.548 -0.948 6.738 1.00 0.00 H new ATOM 132 N ALA A 8 2.707 0.065 10.185 1.00 0.00 N ATOM 133 CA ALA A 8 2.068 -1.021 10.983 1.00 0.00 C ATOM 134 C ALA A 8 1.343 -1.980 10.044 1.00 0.00 C ATOM 135 O ALA A 8 1.233 -3.161 10.303 1.00 0.00 O ATOM 136 CB ALA A 8 1.068 -0.413 11.970 1.00 0.00 C ATOM 0 H ALA A 8 2.246 0.974 10.237 1.00 0.00 H new ATOM 0 HA ALA A 8 2.834 -1.564 11.536 1.00 0.00 H new ATOM 0 HB1 ALA A 8 0.602 -1.208 12.552 1.00 0.00 H new ATOM 0 HB2 ALA A 8 1.589 0.271 12.641 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.300 0.132 11.421 1.00 0.00 H new ATOM 142 N SER A 9 0.860 -1.471 8.952 1.00 0.00 N ATOM 143 CA SER A 9 0.140 -2.325 7.961 1.00 0.00 C ATOM 144 C SER A 9 -0.753 -3.338 8.679 1.00 0.00 C ATOM 145 O SER A 9 -0.311 -4.390 9.096 1.00 0.00 O ATOM 146 CB SER A 9 1.158 -3.071 7.098 1.00 0.00 C ATOM 147 OG SER A 9 0.608 -3.293 5.804 1.00 0.00 O ATOM 0 H SER A 9 0.932 -0.486 8.695 1.00 0.00 H new ATOM 0 HA SER A 9 -0.482 -1.687 7.334 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.078 -2.492 7.020 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.418 -4.022 7.563 1.00 0.00 H new ATOM 0 HG SER A 9 0.312 -2.440 5.424 1.00 0.00 H new ATOM 153 N ARG A 10 -2.014 -3.034 8.812 1.00 0.00 N ATOM 154 CA ARG A 10 -2.943 -3.980 9.488 1.00 0.00 C ATOM 155 C ARG A 10 -4.169 -4.195 8.605 1.00 0.00 C ATOM 156 O ARG A 10 -4.247 -5.135 7.839 1.00 0.00 O ATOM 157 CB ARG A 10 -3.369 -3.399 10.840 1.00 0.00 C ATOM 158 CG ARG A 10 -2.145 -3.269 11.749 1.00 0.00 C ATOM 159 CD ARG A 10 -1.891 -4.598 12.461 1.00 0.00 C ATOM 160 NE ARG A 10 -0.429 -4.760 12.699 1.00 0.00 N ATOM 161 CZ ARG A 10 -0.006 -5.383 13.765 1.00 0.00 C ATOM 162 NH1 ARG A 10 -0.316 -4.933 14.950 1.00 0.00 N ATOM 163 NH2 ARG A 10 0.728 -6.455 13.646 1.00 0.00 N ATOM 0 H ARG A 10 -2.441 -2.169 8.481 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.444 -4.935 9.652 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.835 -2.424 10.698 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.114 -4.043 11.306 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.271 -2.987 11.161 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.306 -2.478 12.481 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.430 -4.625 13.408 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.266 -5.424 11.857 1.00 0.00 H new ATOM 0 HE ARG A 10 0.241 -4.384 12.029 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.889 -4.094 15.043 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.015 -5.420 15.783 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.971 -6.806 12.720 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.059 -6.942 14.479 1.00 0.00 H new ATOM 177 N LYS A 11 -5.120 -3.321 8.703 1.00 0.00 N ATOM 178 CA LYS A 11 -6.348 -3.452 7.870 1.00 0.00 C ATOM 179 C LYS A 11 -6.848 -2.061 7.483 1.00 0.00 C ATOM 180 O LYS A 11 -6.222 -1.061 7.773 1.00 0.00 O ATOM 181 CB LYS A 11 -7.439 -4.179 8.659 1.00 0.00 C ATOM 182 CG LYS A 11 -7.638 -3.492 10.011 1.00 0.00 C ATOM 183 CD LYS A 11 -9.133 -3.401 10.323 1.00 0.00 C ATOM 184 CE LYS A 11 -9.526 -4.534 11.273 1.00 0.00 C ATOM 185 NZ LYS A 11 -9.975 -5.713 10.480 1.00 0.00 N ATOM 0 H LYS A 11 -5.105 -2.514 9.327 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.112 -4.024 6.972 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.373 -4.175 8.097 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.161 -5.222 8.807 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.126 -4.051 10.794 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.198 -2.495 9.992 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.363 -2.436 10.776 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.712 -3.467 9.402 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.678 -4.806 11.902 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.324 -4.205 11.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.242 -6.484 11.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.795 -5.448 9.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.201 -6.031 9.862 1.00 0.00 H new ATOM 199 N ILE A 12 -7.972 -1.991 6.827 1.00 0.00 N ATOM 200 CA ILE A 12 -8.517 -0.670 6.415 1.00 0.00 C ATOM 201 C ILE A 12 -10.033 -0.782 6.252 1.00 0.00 C ATOM 202 O ILE A 12 -10.532 -1.120 5.196 1.00 0.00 O ATOM 203 CB ILE A 12 -7.884 -0.254 5.085 1.00 0.00 C ATOM 204 CG1 ILE A 12 -6.389 0.000 5.289 1.00 0.00 C ATOM 205 CG2 ILE A 12 -8.545 1.028 4.583 1.00 0.00 C ATOM 206 CD1 ILE A 12 -6.201 1.175 6.252 1.00 0.00 C ATOM 0 H ILE A 12 -8.538 -2.796 6.558 1.00 0.00 H new ATOM 0 HA ILE A 12 -8.287 0.079 7.173 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.026 -1.050 4.354 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.908 -0.893 5.689 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.912 0.218 4.334 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.094 1.323 3.636 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.611 0.855 4.438 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.402 1.822 5.316 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.137 1.358 6.399 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.668 2.067 5.834 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.664 0.938 7.210 1.00 0.00 H new ATOM 218 N LYS A 13 -10.770 -0.507 7.293 1.00 0.00 N ATOM 219 CA LYS A 13 -12.254 -0.602 7.203 1.00 0.00 C ATOM 220 C LYS A 13 -12.800 0.598 6.430 1.00 0.00 C ATOM 221 O LYS A 13 -13.190 1.594 7.006 1.00 0.00 O ATOM 222 CB LYS A 13 -12.848 -0.611 8.613 1.00 0.00 C ATOM 223 CG LYS A 13 -13.368 -2.012 8.940 1.00 0.00 C ATOM 224 CD LYS A 13 -13.119 -2.318 10.418 1.00 0.00 C ATOM 225 CE LYS A 13 -13.594 -1.141 11.271 1.00 0.00 C ATOM 226 NZ LYS A 13 -13.843 -1.605 12.665 1.00 0.00 N ATOM 0 H LYS A 13 -10.408 -0.220 8.203 1.00 0.00 H new ATOM 0 HA LYS A 13 -12.527 -1.521 6.684 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.092 -0.314 9.339 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.659 0.114 8.682 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -14.433 -2.076 8.719 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.868 -2.752 8.315 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.648 -3.226 10.706 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.058 -2.499 10.589 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -12.844 -0.350 11.268 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -14.505 -0.717 10.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -14.166 -0.804 13.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.573 -2.345 12.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.964 -1.990 13.065 1.00 0.00 H new ATOM 240 N ILE A 14 -12.838 0.512 5.128 1.00 0.00 N ATOM 241 CA ILE A 14 -13.367 1.650 4.326 1.00 0.00 C ATOM 242 C ILE A 14 -14.840 1.396 3.998 1.00 0.00 C ATOM 243 O ILE A 14 -15.346 0.304 4.169 1.00 0.00 O ATOM 244 CB ILE A 14 -12.573 1.779 3.023 1.00 0.00 C ATOM 245 CG1 ILE A 14 -11.088 1.518 3.297 1.00 0.00 C ATOM 246 CG2 ILE A 14 -12.762 3.187 2.452 1.00 0.00 C ATOM 247 CD1 ILE A 14 -10.261 1.837 2.048 1.00 0.00 C ATOM 0 H ILE A 14 -12.526 -0.295 4.587 1.00 0.00 H new ATOM 0 HA ILE A 14 -13.270 2.572 4.900 1.00 0.00 H new ATOM 0 HB ILE A 14 -12.933 1.047 2.300 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -10.751 2.131 4.133 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -10.940 0.477 3.585 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -12.198 3.282 1.524 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -13.820 3.360 2.253 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -12.403 3.923 3.172 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -9.207 1.649 2.252 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -10.590 1.205 1.223 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -10.397 2.885 1.779 1.00 0.00 H new ATOM 259 N LYS A 15 -15.532 2.394 3.526 1.00 0.00 N ATOM 260 CA LYS A 15 -16.968 2.205 3.184 1.00 0.00 C ATOM 261 C LYS A 15 -17.127 2.234 1.663 1.00 0.00 C ATOM 262 O LYS A 15 -16.245 2.668 0.948 1.00 0.00 O ATOM 263 CB LYS A 15 -17.794 3.328 3.813 1.00 0.00 C ATOM 264 CG LYS A 15 -18.777 2.734 4.823 1.00 0.00 C ATOM 265 CD LYS A 15 -20.010 2.205 4.088 1.00 0.00 C ATOM 266 CE LYS A 15 -21.270 2.833 4.687 1.00 0.00 C ATOM 267 NZ LYS A 15 -21.980 3.618 3.639 1.00 0.00 N ATOM 0 H LYS A 15 -15.166 3.332 3.362 1.00 0.00 H new ATOM 0 HA LYS A 15 -17.317 1.247 3.569 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -17.137 4.044 4.307 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -18.335 3.873 3.040 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -18.299 1.928 5.380 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -19.071 3.492 5.549 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -19.943 2.441 3.026 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -20.058 1.119 4.170 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -21.925 2.056 5.080 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -21.005 3.480 5.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -22.952 3.816 3.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -21.479 4.515 3.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -22.006 3.072 2.754 1.00 0.00 H new ATOM 281 N ALA A 16 -18.237 1.771 1.159 1.00 0.00 N ATOM 282 CA ALA A 16 -18.434 1.771 -0.318 1.00 0.00 C ATOM 283 C ALA A 16 -18.607 3.210 -0.812 1.00 0.00 C ATOM 284 O ALA A 16 -19.117 4.056 -0.108 1.00 0.00 O ATOM 285 CB ALA A 16 -19.680 0.957 -0.667 1.00 0.00 C ATOM 0 H ALA A 16 -19.013 1.394 1.703 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.564 1.326 -0.800 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -19.824 0.957 -1.747 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.555 -0.068 -0.318 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.551 1.401 -0.185 1.00 0.00 H new ATOM 291 N GLY A 17 -18.189 3.493 -2.017 1.00 0.00 N ATOM 292 CA GLY A 17 -18.328 4.877 -2.556 1.00 0.00 C ATOM 293 C GLY A 17 -17.846 5.882 -1.509 1.00 0.00 C ATOM 294 O GLY A 17 -18.323 6.997 -1.439 1.00 0.00 O ATOM 0 H GLY A 17 -17.756 2.823 -2.653 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -17.746 4.982 -3.472 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -19.368 5.075 -2.815 1.00 0.00 H new ATOM 298 N PHE A 18 -16.910 5.493 -0.685 1.00 0.00 N ATOM 299 CA PHE A 18 -16.410 6.429 0.369 1.00 0.00 C ATOM 300 C PHE A 18 -14.984 6.880 0.054 1.00 0.00 C ATOM 301 O PHE A 18 -14.418 6.534 -0.965 1.00 0.00 O ATOM 302 CB PHE A 18 -16.427 5.732 1.729 1.00 0.00 C ATOM 303 CG PHE A 18 -17.743 6.013 2.405 1.00 0.00 C ATOM 304 CD1 PHE A 18 -18.903 6.107 1.636 1.00 0.00 C ATOM 305 CD2 PHE A 18 -17.804 6.181 3.793 1.00 0.00 C ATOM 306 CE1 PHE A 18 -20.133 6.370 2.251 1.00 0.00 C ATOM 307 CE2 PHE A 18 -19.032 6.444 4.411 1.00 0.00 C ATOM 308 CZ PHE A 18 -20.198 6.538 3.640 1.00 0.00 C ATOM 0 H PHE A 18 -16.471 4.573 -0.694 1.00 0.00 H new ATOM 0 HA PHE A 18 -17.062 7.302 0.392 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -16.289 4.658 1.604 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -15.602 6.089 2.346 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -18.852 5.977 0.565 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -16.905 6.108 4.387 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -21.031 6.443 1.655 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -19.081 6.574 5.482 1.00 0.00 H new ATOM 0 HZ PHE A 18 -21.146 6.740 4.116 1.00 0.00 H new ATOM 318 N THR A 19 -14.402 7.658 0.930 1.00 0.00 N ATOM 319 CA THR A 19 -13.015 8.144 0.694 1.00 0.00 C ATOM 320 C THR A 19 -12.094 7.659 1.819 1.00 0.00 C ATOM 321 O THR A 19 -12.460 7.650 2.977 1.00 0.00 O ATOM 322 CB THR A 19 -13.010 9.674 0.655 1.00 0.00 C ATOM 323 OG1 THR A 19 -13.532 10.179 1.876 1.00 0.00 O ATOM 324 CG2 THR A 19 -13.873 10.158 -0.511 1.00 0.00 C ATOM 0 H THR A 19 -14.830 7.977 1.799 1.00 0.00 H new ATOM 0 HA THR A 19 -12.655 7.752 -0.258 1.00 0.00 H new ATOM 0 HB THR A 19 -11.989 10.032 0.521 1.00 0.00 H new ATOM 0 HG1 THR A 19 -13.528 11.159 1.853 1.00 0.00 H new ATOM 0 HG21 THR A 19 -13.869 11.248 -0.539 1.00 0.00 H new ATOM 0 HG22 THR A 19 -13.471 9.770 -1.447 1.00 0.00 H new ATOM 0 HG23 THR A 19 -14.895 9.802 -0.380 1.00 0.00 H new ATOM 332 N HIS A 20 -10.902 7.250 1.479 1.00 0.00 N ATOM 333 CA HIS A 20 -9.949 6.757 2.518 1.00 0.00 C ATOM 334 C HIS A 20 -8.572 7.395 2.304 1.00 0.00 C ATOM 335 O HIS A 20 -8.272 7.908 1.244 1.00 0.00 O ATOM 336 CB HIS A 20 -9.815 5.242 2.382 1.00 0.00 C ATOM 337 CG HIS A 20 -9.732 4.593 3.732 1.00 0.00 C ATOM 338 ND1 HIS A 20 -10.837 4.461 4.555 1.00 0.00 N ATOM 339 CD2 HIS A 20 -8.694 3.991 4.395 1.00 0.00 C ATOM 340 CE1 HIS A 20 -10.445 3.795 5.654 1.00 0.00 C ATOM 341 NE2 HIS A 20 -9.146 3.488 5.611 1.00 0.00 N ATOM 0 H HIS A 20 -10.545 7.235 0.524 1.00 0.00 H new ATOM 0 HA HIS A 20 -10.322 7.020 3.508 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -10.669 4.844 1.834 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -8.924 5.001 1.802 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -7.680 3.918 4.029 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -11.101 3.539 6.473 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -8.602 2.992 6.317 1.00 0.00 H new ATOM 349 N ASN A 21 -7.729 7.348 3.300 1.00 0.00 N ATOM 350 CA ASN A 21 -6.362 7.932 3.156 1.00 0.00 C ATOM 351 C ASN A 21 -5.346 6.928 3.706 1.00 0.00 C ATOM 352 O ASN A 21 -5.060 6.898 4.886 1.00 0.00 O ATOM 353 CB ASN A 21 -6.254 9.250 3.936 1.00 0.00 C ATOM 354 CG ASN A 21 -7.651 9.784 4.268 1.00 0.00 C ATOM 355 OD1 ASN A 21 -8.306 9.288 5.164 1.00 0.00 O ATOM 356 ND2 ASN A 21 -8.136 10.780 3.580 1.00 0.00 N ATOM 0 H ASN A 21 -7.927 6.930 4.209 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.164 8.138 2.104 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.689 9.092 4.855 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.706 9.986 3.347 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.065 11.143 3.794 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.586 11.196 2.828 1.00 0.00 H new ATOM 363 N LEU A 22 -4.818 6.089 2.858 1.00 0.00 N ATOM 364 CA LEU A 22 -3.843 5.063 3.315 1.00 0.00 C ATOM 365 C LEU A 22 -2.443 5.667 3.439 1.00 0.00 C ATOM 366 O LEU A 22 -1.979 6.374 2.565 1.00 0.00 O ATOM 367 CB LEU A 22 -3.824 3.944 2.284 1.00 0.00 C ATOM 368 CG LEU A 22 -2.848 2.851 2.705 1.00 0.00 C ATOM 369 CD1 LEU A 22 -3.356 1.520 2.164 1.00 0.00 C ATOM 370 CD2 LEU A 22 -1.460 3.138 2.122 1.00 0.00 C ATOM 0 H LEU A 22 -5.023 6.072 1.859 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.138 4.685 4.294 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.824 3.525 2.174 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.537 4.342 1.311 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.775 2.818 3.792 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.671 0.724 2.455 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.345 1.315 2.573 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.416 1.568 1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.768 2.353 2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.521 3.166 1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.103 4.100 2.490 1.00 0.00 H new ATOM 382 N GLU A 23 -1.762 5.377 4.517 1.00 0.00 N ATOM 383 CA GLU A 23 -0.388 5.919 4.707 1.00 0.00 C ATOM 384 C GLU A 23 0.582 4.772 5.015 1.00 0.00 C ATOM 385 O GLU A 23 0.202 3.745 5.542 1.00 0.00 O ATOM 386 CB GLU A 23 -0.391 6.911 5.872 1.00 0.00 C ATOM 387 CG GLU A 23 1.012 7.495 6.052 1.00 0.00 C ATOM 388 CD GLU A 23 0.920 8.817 6.817 1.00 0.00 C ATOM 389 OE1 GLU A 23 -0.040 9.539 6.601 1.00 0.00 O ATOM 390 OE2 GLU A 23 1.811 9.085 7.606 1.00 0.00 O ATOM 0 H GLU A 23 -2.102 4.786 5.276 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.069 6.425 3.796 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.107 7.710 5.680 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.708 6.412 6.787 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.643 6.792 6.595 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.478 7.657 5.080 1.00 0.00 H new ATOM 397 N VAL A 24 1.835 4.945 4.689 1.00 0.00 N ATOM 398 CA VAL A 24 2.846 3.880 4.955 1.00 0.00 C ATOM 399 C VAL A 24 4.236 4.521 4.974 1.00 0.00 C ATOM 400 O VAL A 24 4.442 5.578 4.414 1.00 0.00 O ATOM 401 CB VAL A 24 2.777 2.820 3.846 1.00 0.00 C ATOM 402 CG1 VAL A 24 4.077 2.008 3.811 1.00 0.00 C ATOM 403 CG2 VAL A 24 1.604 1.878 4.119 1.00 0.00 C ATOM 0 H VAL A 24 2.205 5.786 4.246 1.00 0.00 H new ATOM 0 HA VAL A 24 2.646 3.402 5.914 1.00 0.00 H new ATOM 0 HB VAL A 24 2.640 3.318 2.886 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.017 1.259 3.021 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.917 2.675 3.616 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.222 1.512 4.771 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.552 1.124 3.333 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.747 1.389 5.082 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.675 2.449 4.136 1.00 0.00 H new ATOM 413 N ASP A 25 5.193 3.899 5.611 1.00 0.00 N ATOM 414 CA ASP A 25 6.554 4.499 5.650 1.00 0.00 C ATOM 415 C ASP A 25 7.622 3.411 5.550 1.00 0.00 C ATOM 416 O ASP A 25 7.487 2.335 6.097 1.00 0.00 O ATOM 417 CB ASP A 25 6.729 5.283 6.952 1.00 0.00 C ATOM 418 CG ASP A 25 8.202 5.652 7.136 1.00 0.00 C ATOM 419 OD1 ASP A 25 8.663 6.534 6.430 1.00 0.00 O ATOM 420 OD2 ASP A 25 8.844 5.048 7.979 1.00 0.00 O ATOM 0 H ASP A 25 5.091 3.010 6.101 1.00 0.00 H new ATOM 0 HA ASP A 25 6.667 5.173 4.801 1.00 0.00 H new ATOM 0 HB2 ASP A 25 6.118 6.185 6.930 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.385 4.686 7.797 1.00 0.00 H new ATOM 425 N PHE A 26 8.689 3.694 4.849 1.00 0.00 N ATOM 426 CA PHE A 26 9.778 2.688 4.705 1.00 0.00 C ATOM 427 C PHE A 26 11.008 3.364 4.092 1.00 0.00 C ATOM 428 O PHE A 26 10.927 3.984 3.053 1.00 0.00 O ATOM 429 CB PHE A 26 9.312 1.556 3.779 1.00 0.00 C ATOM 430 CG PHE A 26 9.253 2.036 2.350 1.00 0.00 C ATOM 431 CD1 PHE A 26 8.106 2.686 1.880 1.00 0.00 C ATOM 432 CD2 PHE A 26 10.339 1.821 1.491 1.00 0.00 C ATOM 433 CE1 PHE A 26 8.044 3.122 0.553 1.00 0.00 C ATOM 434 CE2 PHE A 26 10.276 2.259 0.164 1.00 0.00 C ATOM 435 CZ PHE A 26 9.129 2.910 -0.306 1.00 0.00 C ATOM 0 H PHE A 26 8.852 4.580 4.370 1.00 0.00 H new ATOM 0 HA PHE A 26 10.028 2.279 5.684 1.00 0.00 H new ATOM 0 HB2 PHE A 26 9.994 0.710 3.857 1.00 0.00 H new ATOM 0 HB3 PHE A 26 8.329 1.203 4.092 1.00 0.00 H new ATOM 0 HD1 PHE A 26 7.269 2.851 2.542 1.00 0.00 H new ATOM 0 HD2 PHE A 26 11.223 1.318 1.853 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.158 3.623 0.190 1.00 0.00 H new ATOM 0 HE2 PHE A 26 11.113 2.095 -0.499 1.00 0.00 H new ATOM 0 HZ PHE A 26 9.081 3.248 -1.331 1.00 0.00 H new ATOM 445 N ILE A 27 12.147 3.249 4.715 1.00 0.00 N ATOM 446 CA ILE A 27 13.364 3.895 4.148 1.00 0.00 C ATOM 447 C ILE A 27 13.902 3.041 3.001 1.00 0.00 C ATOM 448 O ILE A 27 13.270 2.097 2.572 1.00 0.00 O ATOM 449 CB ILE A 27 14.434 4.020 5.237 1.00 0.00 C ATOM 450 CG1 ILE A 27 13.763 4.235 6.598 1.00 0.00 C ATOM 451 CG2 ILE A 27 15.342 5.211 4.926 1.00 0.00 C ATOM 452 CD1 ILE A 27 12.679 5.307 6.473 1.00 0.00 C ATOM 0 H ILE A 27 12.288 2.739 5.587 1.00 0.00 H new ATOM 0 HA ILE A 27 13.109 4.888 3.777 1.00 0.00 H new ATOM 0 HB ILE A 27 15.027 3.106 5.266 1.00 0.00 H new ATOM 0 HG12 ILE A 27 13.326 3.301 6.951 1.00 0.00 H new ATOM 0 HG13 ILE A 27 14.505 4.538 7.337 1.00 0.00 H new ATOM 0 HG21 ILE A 27 16.103 5.300 5.701 1.00 0.00 H new ATOM 0 HG22 ILE A 27 15.823 5.059 3.960 1.00 0.00 H new ATOM 0 HG23 ILE A 27 14.747 6.124 4.895 1.00 0.00 H new ATOM 0 HD11 ILE A 27 12.203 5.458 7.442 1.00 0.00 H new ATOM 0 HD12 ILE A 27 13.129 6.242 6.140 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.931 4.986 5.748 1.00 0.00 H new ATOM 464 N GLY A 28 15.060 3.369 2.495 1.00 0.00 N ATOM 465 CA GLY A 28 15.638 2.579 1.371 1.00 0.00 C ATOM 466 C GLY A 28 16.485 3.495 0.484 1.00 0.00 C ATOM 467 O GLY A 28 16.242 4.682 0.391 1.00 0.00 O ATOM 0 H GLY A 28 15.632 4.152 2.813 1.00 0.00 H new ATOM 0 HA2 GLY A 28 16.250 1.766 1.761 1.00 0.00 H new ATOM 0 HA3 GLY A 28 14.840 2.124 0.784 1.00 0.00 H new ATOM 471 N ALA A 29 17.479 2.954 -0.168 1.00 0.00 N ATOM 472 CA ALA A 29 18.341 3.795 -1.046 1.00 0.00 C ATOM 473 C ALA A 29 19.405 2.912 -1.708 1.00 0.00 C ATOM 474 O ALA A 29 19.499 1.739 -1.409 1.00 0.00 O ATOM 475 CB ALA A 29 19.006 4.884 -0.207 1.00 0.00 C ATOM 0 H ALA A 29 17.731 1.966 -0.130 1.00 0.00 H new ATOM 0 HA ALA A 29 17.736 4.264 -1.822 1.00 0.00 H new ATOM 0 HB1 ALA A 29 19.637 5.501 -0.846 1.00 0.00 H new ATOM 0 HB2 ALA A 29 18.240 5.506 0.255 1.00 0.00 H new ATOM 0 HB3 ALA A 29 19.616 4.423 0.570 1.00 0.00 H new ATOM 481 N PRO A 30 20.156 3.492 -2.614 1.00 0.00 N ATOM 482 CA PRO A 30 20.042 4.920 -2.979 1.00 0.00 C ATOM 483 C PRO A 30 18.760 5.189 -3.768 1.00 0.00 C ATOM 484 O PRO A 30 18.490 6.305 -4.166 1.00 0.00 O ATOM 485 CB PRO A 30 21.289 5.175 -3.833 1.00 0.00 C ATOM 486 CG PRO A 30 21.745 3.797 -4.360 1.00 0.00 C ATOM 487 CD PRO A 30 21.179 2.752 -3.381 1.00 0.00 C ATOM 0 HA PRO A 30 19.987 5.576 -2.110 1.00 0.00 H new ATOM 0 HB2 PRO A 30 21.063 5.851 -4.658 1.00 0.00 H new ATOM 0 HB3 PRO A 30 22.075 5.644 -3.242 1.00 0.00 H new ATOM 0 HG2 PRO A 30 21.374 3.625 -5.370 1.00 0.00 H new ATOM 0 HG3 PRO A 30 22.832 3.738 -4.406 1.00 0.00 H new ATOM 0 HD2 PRO A 30 20.744 1.904 -3.911 1.00 0.00 H new ATOM 0 HD3 PRO A 30 21.957 2.355 -2.728 1.00 0.00 H new ATOM 495 N ASP A 31 17.960 4.185 -3.984 1.00 0.00 N ATOM 496 CA ASP A 31 16.694 4.401 -4.731 1.00 0.00 C ATOM 497 C ASP A 31 15.778 3.188 -4.542 1.00 0.00 C ATOM 498 O ASP A 31 15.817 2.255 -5.320 1.00 0.00 O ATOM 499 CB ASP A 31 16.998 4.589 -6.219 1.00 0.00 C ATOM 500 CG ASP A 31 16.314 5.861 -6.723 1.00 0.00 C ATOM 501 OD1 ASP A 31 16.583 6.914 -6.169 1.00 0.00 O ATOM 502 OD2 ASP A 31 15.532 5.760 -7.654 1.00 0.00 O ATOM 0 H ASP A 31 18.128 3.227 -3.676 1.00 0.00 H new ATOM 0 HA ASP A 31 16.198 5.294 -4.351 1.00 0.00 H new ATOM 0 HB2 ASP A 31 18.075 4.656 -6.375 1.00 0.00 H new ATOM 0 HB3 ASP A 31 16.647 3.726 -6.785 1.00 0.00 H new ATOM 507 N PRO A 32 14.982 3.239 -3.505 1.00 0.00 N ATOM 508 CA PRO A 32 14.040 2.158 -3.170 1.00 0.00 C ATOM 509 C PRO A 32 12.792 2.241 -4.056 1.00 0.00 C ATOM 510 O PRO A 32 12.570 3.219 -4.742 1.00 0.00 O ATOM 511 CB PRO A 32 13.686 2.435 -1.706 1.00 0.00 C ATOM 512 CG PRO A 32 13.975 3.936 -1.464 1.00 0.00 C ATOM 513 CD PRO A 32 14.950 4.381 -2.568 1.00 0.00 C ATOM 0 HA PRO A 32 14.457 1.163 -3.324 1.00 0.00 H new ATOM 0 HB2 PRO A 32 12.639 2.204 -1.509 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.281 1.812 -1.038 1.00 0.00 H new ATOM 0 HG2 PRO A 32 13.055 4.519 -1.502 1.00 0.00 H new ATOM 0 HG3 PRO A 32 14.410 4.092 -0.477 1.00 0.00 H new ATOM 0 HD2 PRO A 32 14.606 5.291 -3.060 1.00 0.00 H new ATOM 0 HD3 PRO A 32 15.940 4.592 -2.164 1.00 0.00 H new ATOM 521 N THR A 33 11.974 1.223 -4.043 1.00 0.00 N ATOM 522 CA THR A 33 10.741 1.244 -4.879 1.00 0.00 C ATOM 523 C THR A 33 9.601 0.570 -4.113 1.00 0.00 C ATOM 524 O THR A 33 9.659 -0.605 -3.807 1.00 0.00 O ATOM 525 CB THR A 33 10.996 0.489 -6.186 1.00 0.00 C ATOM 526 OG1 THR A 33 11.931 1.213 -6.974 1.00 0.00 O ATOM 527 CG2 THR A 33 9.684 0.338 -6.956 1.00 0.00 C ATOM 0 H THR A 33 12.107 0.377 -3.489 1.00 0.00 H new ATOM 0 HA THR A 33 10.470 2.275 -5.105 1.00 0.00 H new ATOM 0 HB THR A 33 11.397 -0.500 -5.962 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.097 0.730 -7.811 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.868 -0.200 -7.886 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.969 -0.218 -6.350 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.279 1.324 -7.181 1.00 0.00 H new ATOM 535 N ALA A 34 8.568 1.305 -3.796 1.00 0.00 N ATOM 536 CA ALA A 34 7.428 0.707 -3.043 1.00 0.00 C ATOM 537 C ALA A 34 6.340 0.257 -4.020 1.00 0.00 C ATOM 538 O ALA A 34 6.026 0.944 -4.972 1.00 0.00 O ATOM 539 CB ALA A 34 6.849 1.748 -2.083 1.00 0.00 C ATOM 0 H ALA A 34 8.465 2.293 -4.026 1.00 0.00 H new ATOM 0 HA ALA A 34 7.784 -0.155 -2.478 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.016 1.311 -1.532 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.621 2.065 -1.382 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.497 2.610 -2.650 1.00 0.00 H new ATOM 545 N THR A 35 5.762 -0.892 -3.792 1.00 0.00 N ATOM 546 CA THR A 35 4.695 -1.380 -4.710 1.00 0.00 C ATOM 547 C THR A 35 3.363 -1.462 -3.958 1.00 0.00 C ATOM 548 O THR A 35 3.307 -1.857 -2.811 1.00 0.00 O ATOM 549 CB THR A 35 5.068 -2.769 -5.234 1.00 0.00 C ATOM 550 OG1 THR A 35 6.259 -2.678 -6.005 1.00 0.00 O ATOM 551 CG2 THR A 35 3.934 -3.308 -6.106 1.00 0.00 C ATOM 0 H THR A 35 5.982 -1.511 -3.012 1.00 0.00 H new ATOM 0 HA THR A 35 4.596 -0.688 -5.546 1.00 0.00 H new ATOM 0 HB THR A 35 5.229 -3.444 -4.394 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.501 -3.567 -6.340 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.200 -4.297 -6.479 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.021 -3.377 -5.514 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.771 -2.635 -6.948 1.00 0.00 H new ATOM 559 N TRP A 36 2.290 -1.094 -4.602 1.00 0.00 N ATOM 560 CA TRP A 36 0.955 -1.150 -3.940 1.00 0.00 C ATOM 561 C TRP A 36 0.090 -2.194 -4.660 1.00 0.00 C ATOM 562 O TRP A 36 -0.605 -1.895 -5.616 1.00 0.00 O ATOM 563 CB TRP A 36 0.293 0.225 -4.027 1.00 0.00 C ATOM 564 CG TRP A 36 0.704 1.061 -2.851 1.00 0.00 C ATOM 565 CD1 TRP A 36 1.440 2.196 -2.918 1.00 0.00 C ATOM 566 CD2 TRP A 36 0.416 0.851 -1.437 1.00 0.00 C ATOM 567 NE1 TRP A 36 1.605 2.699 -1.643 1.00 0.00 N ATOM 568 CE2 TRP A 36 0.994 1.908 -0.697 1.00 0.00 C ATOM 569 CE3 TRP A 36 -0.285 -0.138 -0.733 1.00 0.00 C ATOM 570 CZ2 TRP A 36 0.878 1.981 0.691 1.00 0.00 C ATOM 571 CZ3 TRP A 36 -0.403 -0.068 0.664 1.00 0.00 C ATOM 572 CH2 TRP A 36 0.175 0.989 1.373 1.00 0.00 C ATOM 0 H TRP A 36 2.280 -0.755 -5.564 1.00 0.00 H new ATOM 0 HA TRP A 36 1.064 -1.428 -2.892 1.00 0.00 H new ATOM 0 HB2 TRP A 36 0.581 0.719 -4.955 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.791 0.116 -4.047 1.00 0.00 H new ATOM 0 HD1 TRP A 36 1.834 2.636 -3.822 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.118 3.554 -1.428 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.737 -0.959 -1.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.329 2.799 1.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.945 -0.837 1.195 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.077 1.037 2.447 1.00 0.00 H new ATOM 583 N THR A 37 0.137 -3.425 -4.220 1.00 0.00 N ATOM 584 CA THR A 37 -0.667 -4.487 -4.889 1.00 0.00 C ATOM 585 C THR A 37 -1.886 -4.837 -4.035 1.00 0.00 C ATOM 586 O THR A 37 -1.916 -4.592 -2.848 1.00 0.00 O ATOM 587 CB THR A 37 0.197 -5.738 -5.070 1.00 0.00 C ATOM 588 OG1 THR A 37 1.227 -5.743 -4.090 1.00 0.00 O ATOM 589 CG2 THR A 37 0.821 -5.739 -6.466 1.00 0.00 C ATOM 0 H THR A 37 0.697 -3.739 -3.427 1.00 0.00 H new ATOM 0 HA THR A 37 -1.002 -4.123 -5.860 1.00 0.00 H new ATOM 0 HB THR A 37 -0.424 -6.626 -4.955 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.827 -5.766 -3.195 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.435 -6.631 -6.590 1.00 0.00 H new ATOM 0 HG22 THR A 37 0.031 -5.735 -7.217 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.442 -4.852 -6.587 1.00 0.00 H new ATOM 597 N VAL A 38 -2.894 -5.409 -4.635 1.00 0.00 N ATOM 598 CA VAL A 38 -4.111 -5.774 -3.855 1.00 0.00 C ATOM 599 C VAL A 38 -4.055 -7.255 -3.471 1.00 0.00 C ATOM 600 O VAL A 38 -5.004 -7.991 -3.651 1.00 0.00 O ATOM 601 CB VAL A 38 -5.361 -5.518 -4.697 1.00 0.00 C ATOM 602 CG1 VAL A 38 -5.364 -6.457 -5.898 1.00 0.00 C ATOM 603 CG2 VAL A 38 -6.604 -5.789 -3.852 1.00 0.00 C ATOM 0 H VAL A 38 -2.928 -5.639 -5.628 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.150 -5.165 -2.952 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.363 -4.483 -5.038 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.255 -6.276 -6.499 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.475 -6.277 -6.503 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.364 -7.491 -5.552 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.497 -5.607 -4.450 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.597 -6.826 -3.516 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.606 -5.127 -2.986 1.00 0.00 H new ATOM 650 N ALA A 43 -1.568 -9.549 -7.427 1.00 0.00 N ATOM 651 CA ALA A 43 -2.606 -8.613 -7.936 1.00 0.00 C ATOM 652 C ALA A 43 -2.156 -7.174 -7.697 1.00 0.00 C ATOM 653 O ALA A 43 -1.534 -6.862 -6.703 1.00 0.00 O ATOM 654 CB ALA A 43 -3.932 -8.852 -7.218 1.00 0.00 C ATOM 0 HA ALA A 43 -2.743 -8.786 -9.003 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.683 -8.160 -7.600 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.261 -9.877 -7.392 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.801 -8.690 -6.148 1.00 0.00 H new ATOM 660 N ALA A 44 -2.472 -6.294 -8.601 1.00 0.00 N ATOM 661 CA ALA A 44 -2.064 -4.872 -8.430 1.00 0.00 C ATOM 662 C ALA A 44 -3.248 -4.064 -7.905 1.00 0.00 C ATOM 663 O ALA A 44 -4.390 -4.365 -8.189 1.00 0.00 O ATOM 664 CB ALA A 44 -1.617 -4.304 -9.778 1.00 0.00 C ATOM 0 H ALA A 44 -2.996 -6.496 -9.453 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.239 -4.813 -7.720 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.318 -3.263 -9.653 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.772 -4.881 -10.154 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.441 -4.362 -10.489 1.00 0.00 H new ATOM 670 N LEU A 45 -2.989 -3.038 -7.141 1.00 0.00 N ATOM 671 CA LEU A 45 -4.108 -2.217 -6.606 1.00 0.00 C ATOM 672 C LEU A 45 -5.045 -1.824 -7.753 1.00 0.00 C ATOM 673 O LEU A 45 -4.832 -2.190 -8.892 1.00 0.00 O ATOM 674 CB LEU A 45 -3.538 -0.966 -5.944 1.00 0.00 C ATOM 675 CG LEU A 45 -3.738 -1.060 -4.432 1.00 0.00 C ATOM 676 CD1 LEU A 45 -2.898 -2.211 -3.879 1.00 0.00 C ATOM 677 CD2 LEU A 45 -3.296 0.250 -3.779 1.00 0.00 C ATOM 0 H LEU A 45 -2.055 -2.735 -6.866 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.670 -2.790 -5.869 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.478 -0.868 -6.177 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.033 -0.077 -6.333 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.791 -1.239 -4.214 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.040 -2.279 -2.800 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.209 -3.146 -4.346 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.845 -2.030 -4.096 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.438 0.185 -2.700 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.243 0.428 -3.996 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.892 1.073 -4.174 1.00 0.00 H new ATOM 728 N LEU A 49 -8.233 4.148 -7.482 1.00 0.00 N ATOM 729 CA LEU A 49 -7.747 4.975 -6.347 1.00 0.00 C ATOM 730 C LEU A 49 -6.656 5.929 -6.806 1.00 0.00 C ATOM 731 O LEU A 49 -6.345 6.044 -7.975 1.00 0.00 O ATOM 732 CB LEU A 49 -7.171 4.107 -5.225 1.00 0.00 C ATOM 733 CG LEU A 49 -6.654 2.802 -5.794 1.00 0.00 C ATOM 734 CD1 LEU A 49 -5.595 2.220 -4.858 1.00 0.00 C ATOM 735 CD2 LEU A 49 -7.821 1.837 -5.910 1.00 0.00 C ATOM 0 HA LEU A 49 -8.607 5.531 -5.974 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.364 4.638 -4.721 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.939 3.909 -4.477 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.206 2.968 -6.774 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.223 1.281 -5.268 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.769 2.925 -4.760 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.036 2.039 -3.878 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.470 0.889 -6.318 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.254 1.669 -4.924 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.578 2.259 -6.571 1.00 0.00 H new ATOM 747 N LEU A 50 -6.071 6.604 -5.865 1.00 0.00 N ATOM 748 CA LEU A 50 -4.984 7.561 -6.169 1.00 0.00 C ATOM 749 C LEU A 50 -3.750 7.138 -5.370 1.00 0.00 C ATOM 750 O LEU A 50 -3.484 7.645 -4.299 1.00 0.00 O ATOM 751 CB LEU A 50 -5.437 8.952 -5.742 1.00 0.00 C ATOM 752 CG LEU A 50 -4.258 9.909 -5.777 1.00 0.00 C ATOM 753 CD1 LEU A 50 -3.945 10.241 -7.230 1.00 0.00 C ATOM 754 CD2 LEU A 50 -4.635 11.175 -5.015 1.00 0.00 C ATOM 0 H LEU A 50 -6.307 6.530 -4.875 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.746 7.572 -7.233 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.226 9.307 -6.405 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.858 8.915 -4.737 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.379 9.460 -5.314 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.100 10.928 -7.272 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.696 9.326 -7.767 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.815 10.707 -7.692 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.798 11.872 -5.031 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.502 11.638 -5.485 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.875 10.920 -3.983 1.00 0.00 H new ATOM 766 N VAL A 51 -3.020 6.180 -5.867 1.00 0.00 N ATOM 767 CA VAL A 51 -1.831 5.681 -5.122 1.00 0.00 C ATOM 768 C VAL A 51 -0.623 6.603 -5.304 1.00 0.00 C ATOM 769 O VAL A 51 -0.171 6.851 -6.405 1.00 0.00 O ATOM 770 CB VAL A 51 -1.481 4.283 -5.627 1.00 0.00 C ATOM 771 CG1 VAL A 51 -0.354 3.696 -4.776 1.00 0.00 C ATOM 772 CG2 VAL A 51 -2.716 3.391 -5.519 1.00 0.00 C ATOM 0 H VAL A 51 -3.196 5.719 -6.760 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.077 5.656 -4.060 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.155 4.340 -6.665 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.106 2.698 -5.138 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.526 4.336 -4.845 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.677 3.635 -3.737 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.475 2.390 -5.878 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.035 3.336 -4.478 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.521 3.809 -6.124 1.00 0.00 H new ATOM 782 N ASP A 52 -0.076 7.076 -4.216 1.00 0.00 N ATOM 783 CA ASP A 52 1.131 7.946 -4.288 1.00 0.00 C ATOM 784 C ASP A 52 2.229 7.272 -3.463 1.00 0.00 C ATOM 785 O ASP A 52 1.948 6.513 -2.557 1.00 0.00 O ATOM 786 CB ASP A 52 0.814 9.334 -3.719 1.00 0.00 C ATOM 787 CG ASP A 52 0.730 9.264 -2.193 1.00 0.00 C ATOM 788 OD1 ASP A 52 1.775 9.254 -1.562 1.00 0.00 O ATOM 789 OD2 ASP A 52 -0.376 9.222 -1.681 1.00 0.00 O ATOM 0 H ASP A 52 -0.418 6.894 -3.272 1.00 0.00 H new ATOM 0 HA ASP A 52 1.454 8.075 -5.321 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.586 10.044 -4.017 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.129 9.698 -4.128 1.00 0.00 H new ATOM 794 N ALA A 53 3.473 7.501 -3.762 1.00 0.00 N ATOM 795 CA ALA A 53 4.522 6.811 -2.967 1.00 0.00 C ATOM 796 C ALA A 53 5.844 7.583 -3.007 1.00 0.00 C ATOM 797 O ALA A 53 6.177 8.229 -3.980 1.00 0.00 O ATOM 798 CB ALA A 53 4.711 5.405 -3.537 1.00 0.00 C ATOM 0 H ALA A 53 3.805 8.119 -4.502 1.00 0.00 H new ATOM 0 HA ALA A 53 4.208 6.757 -1.925 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.478 4.881 -2.967 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.771 4.856 -3.471 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.018 5.474 -4.580 1.00 0.00 H new ATOM 804 N LYS A 54 6.594 7.516 -1.936 1.00 0.00 N ATOM 805 CA LYS A 54 7.899 8.238 -1.873 1.00 0.00 C ATOM 806 C LYS A 54 9.039 7.241 -1.610 1.00 0.00 C ATOM 807 O LYS A 54 8.832 6.151 -1.119 1.00 0.00 O ATOM 808 CB LYS A 54 7.853 9.270 -0.745 1.00 0.00 C ATOM 809 CG LYS A 54 7.036 10.482 -1.196 1.00 0.00 C ATOM 810 CD LYS A 54 7.974 11.661 -1.461 1.00 0.00 C ATOM 811 CE LYS A 54 7.499 12.423 -2.700 1.00 0.00 C ATOM 812 NZ LYS A 54 6.601 13.537 -2.285 1.00 0.00 N ATOM 0 H LYS A 54 6.355 6.988 -1.097 1.00 0.00 H new ATOM 0 HA LYS A 54 8.078 8.740 -2.824 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.408 8.830 0.147 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.864 9.578 -0.478 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.475 10.240 -2.099 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.308 10.748 -0.430 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.993 12.326 -0.597 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.993 11.303 -1.610 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.355 12.817 -3.248 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.971 11.749 -3.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.278 14.055 -3.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.778 13.150 -1.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.119 14.185 -1.658 1.00 0.00 H new ATOM 826 N SER A 55 10.242 7.610 -1.947 1.00 0.00 N ATOM 827 CA SER A 55 11.402 6.693 -1.744 1.00 0.00 C ATOM 828 C SER A 55 11.459 6.162 -0.303 1.00 0.00 C ATOM 829 O SER A 55 11.611 4.977 -0.083 1.00 0.00 O ATOM 830 CB SER A 55 12.695 7.450 -2.049 1.00 0.00 C ATOM 831 OG SER A 55 13.151 8.096 -0.868 1.00 0.00 O ATOM 0 H SER A 55 10.475 8.514 -2.358 1.00 0.00 H new ATOM 0 HA SER A 55 11.284 5.842 -2.415 1.00 0.00 H new ATOM 0 HB2 SER A 55 13.455 6.761 -2.417 1.00 0.00 H new ATOM 0 HB3 SER A 55 12.523 8.185 -2.836 1.00 0.00 H new ATOM 0 HG SER A 55 13.981 8.581 -1.060 1.00 0.00 H new ATOM 837 N SER A 56 11.376 7.018 0.680 1.00 0.00 N ATOM 838 CA SER A 56 11.470 6.534 2.092 1.00 0.00 C ATOM 839 C SER A 56 10.079 6.344 2.706 1.00 0.00 C ATOM 840 O SER A 56 9.931 6.263 3.912 1.00 0.00 O ATOM 841 CB SER A 56 12.250 7.554 2.922 1.00 0.00 C ATOM 842 OG SER A 56 11.593 8.813 2.856 1.00 0.00 O ATOM 0 H SER A 56 11.248 8.024 0.570 1.00 0.00 H new ATOM 0 HA SER A 56 11.981 5.571 2.093 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.319 7.221 3.957 1.00 0.00 H new ATOM 0 HB3 SER A 56 13.269 7.643 2.547 1.00 0.00 H new ATOM 0 HG SER A 56 12.089 9.469 3.388 1.00 0.00 H new ATOM 848 N THR A 57 9.057 6.260 1.909 1.00 0.00 N ATOM 849 CA THR A 57 7.699 6.074 2.493 1.00 0.00 C ATOM 850 C THR A 57 6.692 5.925 1.365 1.00 0.00 C ATOM 851 O THR A 57 7.056 5.721 0.231 1.00 0.00 O ATOM 852 CB THR A 57 7.353 7.306 3.338 1.00 0.00 C ATOM 853 OG1 THR A 57 6.218 7.041 4.146 1.00 0.00 O ATOM 854 CG2 THR A 57 7.053 8.482 2.414 1.00 0.00 C ATOM 0 H THR A 57 9.097 6.311 0.891 1.00 0.00 H new ATOM 0 HA THR A 57 7.674 5.182 3.119 1.00 0.00 H new ATOM 0 HB THR A 57 8.199 7.547 3.982 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.919 6.120 3.998 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.806 9.360 3.011 1.00 0.00 H new ATOM 0 HG22 THR A 57 7.928 8.695 1.800 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.210 8.233 1.770 1.00 0.00 H new ATOM 862 N THR A 58 5.431 6.039 1.659 1.00 0.00 N ATOM 863 CA THR A 58 4.417 5.924 0.586 1.00 0.00 C ATOM 864 C THR A 58 3.020 5.993 1.188 1.00 0.00 C ATOM 865 O THR A 58 2.803 5.635 2.326 1.00 0.00 O ATOM 866 CB THR A 58 4.574 4.593 -0.156 1.00 0.00 C ATOM 867 OG1 THR A 58 3.798 4.629 -1.338 1.00 0.00 O ATOM 868 CG2 THR A 58 4.088 3.446 0.728 1.00 0.00 C ATOM 0 H THR A 58 5.061 6.207 2.595 1.00 0.00 H new ATOM 0 HA THR A 58 4.561 6.746 -0.115 1.00 0.00 H new ATOM 0 HB THR A 58 5.624 4.438 -0.402 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.920 3.793 -1.835 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.202 2.502 0.195 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.677 3.418 1.645 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.038 3.598 0.976 1.00 0.00 H new ATOM 876 N SER A 59 2.070 6.433 0.422 1.00 0.00 N ATOM 877 CA SER A 59 0.677 6.509 0.926 1.00 0.00 C ATOM 878 C SER A 59 -0.249 6.461 -0.270 1.00 0.00 C ATOM 879 O SER A 59 0.071 6.947 -1.334 1.00 0.00 O ATOM 880 CB SER A 59 0.468 7.808 1.705 1.00 0.00 C ATOM 881 OG SER A 59 0.907 8.906 0.915 1.00 0.00 O ATOM 0 H SER A 59 2.199 6.746 -0.540 1.00 0.00 H new ATOM 0 HA SER A 59 0.470 5.677 1.599 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.585 7.927 1.960 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.022 7.776 2.643 1.00 0.00 H new ATOM 0 HG SER A 59 1.327 8.572 0.095 1.00 0.00 H new ATOM 887 N ILE A 60 -1.381 5.859 -0.134 1.00 0.00 N ATOM 888 CA ILE A 60 -2.268 5.777 -1.307 1.00 0.00 C ATOM 889 C ILE A 60 -3.664 6.273 -0.940 1.00 0.00 C ATOM 890 O ILE A 60 -3.962 6.527 0.212 1.00 0.00 O ATOM 891 CB ILE A 60 -2.215 4.342 -1.845 1.00 0.00 C ATOM 892 CG1 ILE A 60 -3.045 3.390 -0.986 1.00 0.00 C ATOM 893 CG2 ILE A 60 -0.752 3.879 -1.798 1.00 0.00 C ATOM 894 CD1 ILE A 60 -2.897 1.966 -1.529 1.00 0.00 C ATOM 0 H ILE A 60 -1.728 5.427 0.722 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.941 6.431 -2.115 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.617 4.330 -2.858 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.713 3.433 0.051 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.093 3.690 -0.998 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.681 2.859 -2.175 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.142 4.538 -2.416 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.393 3.911 -0.769 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.487 1.281 -0.920 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.250 1.931 -2.560 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.848 1.671 -1.494 1.00 0.00 H new ATOM 906 N PHE A 61 -4.482 6.530 -1.921 1.00 0.00 N ATOM 907 CA PHE A 61 -5.805 7.146 -1.630 1.00 0.00 C ATOM 908 C PHE A 61 -6.993 6.311 -2.099 1.00 0.00 C ATOM 909 O PHE A 61 -6.953 5.652 -3.116 1.00 0.00 O ATOM 910 CB PHE A 61 -5.826 8.479 -2.364 1.00 0.00 C ATOM 911 CG PHE A 61 -5.512 9.573 -1.395 1.00 0.00 C ATOM 912 CD1 PHE A 61 -4.253 9.621 -0.798 1.00 0.00 C ATOM 913 CD2 PHE A 61 -6.474 10.534 -1.093 1.00 0.00 C ATOM 914 CE1 PHE A 61 -3.949 10.635 0.106 1.00 0.00 C ATOM 915 CE2 PHE A 61 -6.179 11.552 -0.189 1.00 0.00 C ATOM 916 CZ PHE A 61 -4.913 11.607 0.415 1.00 0.00 C ATOM 0 H PHE A 61 -4.294 6.342 -2.906 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.911 7.240 -0.549 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.098 8.474 -3.175 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.804 8.645 -2.815 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.513 8.871 -1.037 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -7.447 10.490 -1.559 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.974 10.674 0.568 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.923 12.298 0.047 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.681 12.395 1.116 1.00 0.00 H new ATOM 926 N PHE A 62 -8.078 6.395 -1.367 1.00 0.00 N ATOM 927 CA PHE A 62 -9.318 5.668 -1.753 1.00 0.00 C ATOM 928 C PHE A 62 -10.512 6.627 -1.671 1.00 0.00 C ATOM 929 O PHE A 62 -11.526 6.275 -1.105 1.00 0.00 O ATOM 930 CB PHE A 62 -9.613 4.516 -0.789 1.00 0.00 C ATOM 931 CG PHE A 62 -8.427 3.602 -0.612 1.00 0.00 C ATOM 932 CD1 PHE A 62 -7.206 4.097 -0.139 1.00 0.00 C ATOM 933 CD2 PHE A 62 -8.566 2.240 -0.897 1.00 0.00 C ATOM 934 CE1 PHE A 62 -6.125 3.227 0.044 1.00 0.00 C ATOM 935 CE2 PHE A 62 -7.487 1.372 -0.717 1.00 0.00 C ATOM 936 CZ PHE A 62 -6.266 1.864 -0.246 1.00 0.00 C ATOM 0 H PHE A 62 -8.153 6.943 -0.510 1.00 0.00 H new ATOM 0 HA PHE A 62 -9.170 5.282 -2.761 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -9.905 4.921 0.180 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -10.460 3.941 -1.162 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.098 5.148 0.084 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -9.510 1.859 -1.257 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -5.182 3.607 0.409 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.596 0.321 -0.942 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.431 1.193 -0.106 1.00 0.00 H new ATOM 946 N PRO A 63 -10.377 7.801 -2.233 1.00 0.00 N ATOM 947 CA PRO A 63 -11.464 8.798 -2.232 1.00 0.00 C ATOM 948 C PRO A 63 -12.635 8.272 -3.057 1.00 0.00 C ATOM 949 O PRO A 63 -13.743 8.764 -2.984 1.00 0.00 O ATOM 950 CB PRO A 63 -10.819 10.043 -2.847 1.00 0.00 C ATOM 951 CG PRO A 63 -9.591 9.536 -3.630 1.00 0.00 C ATOM 952 CD PRO A 63 -9.157 8.240 -2.926 1.00 0.00 C ATOM 0 HA PRO A 63 -11.873 9.015 -1.245 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -11.517 10.560 -3.506 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.524 10.753 -2.074 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.842 9.350 -4.674 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -8.789 10.274 -3.622 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.810 7.493 -3.639 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -8.340 8.417 -2.227 1.00 0.00 H new ATOM 960 N SER A 64 -12.388 7.247 -3.817 1.00 0.00 N ATOM 961 CA SER A 64 -13.463 6.629 -4.636 1.00 0.00 C ATOM 962 C SER A 64 -13.443 5.120 -4.382 1.00 0.00 C ATOM 963 O SER A 64 -13.391 4.328 -5.302 1.00 0.00 O ATOM 964 CB SER A 64 -13.205 6.903 -6.119 1.00 0.00 C ATOM 965 OG SER A 64 -13.419 8.283 -6.387 1.00 0.00 O ATOM 0 H SER A 64 -11.474 6.804 -3.907 1.00 0.00 H new ATOM 0 HA SER A 64 -14.432 7.048 -4.366 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.184 6.624 -6.380 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.868 6.294 -6.734 1.00 0.00 H new ATOM 0 HG SER A 64 -13.253 8.462 -7.336 1.00 0.00 H new ATOM 971 N ALA A 65 -13.460 4.713 -3.136 1.00 0.00 N ATOM 972 CA ALA A 65 -13.414 3.254 -2.835 1.00 0.00 C ATOM 973 C ALA A 65 -14.823 2.671 -2.779 1.00 0.00 C ATOM 974 O ALA A 65 -15.768 3.311 -2.342 1.00 0.00 O ATOM 975 CB ALA A 65 -12.727 3.020 -1.493 1.00 0.00 C ATOM 0 H ALA A 65 -13.503 5.326 -2.322 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.854 2.761 -3.629 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.698 1.951 -1.281 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.710 3.410 -1.532 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.282 3.531 -0.706 1.00 0.00 H new ATOM 981 N LYS A 66 -14.950 1.445 -3.211 1.00 0.00 N ATOM 982 CA LYS A 66 -16.271 0.758 -3.201 1.00 0.00 C ATOM 983 C LYS A 66 -16.069 -0.710 -2.818 1.00 0.00 C ATOM 984 O LYS A 66 -14.970 -1.138 -2.526 1.00 0.00 O ATOM 985 CB LYS A 66 -16.897 0.838 -4.596 1.00 0.00 C ATOM 986 CG LYS A 66 -18.230 1.585 -4.520 1.00 0.00 C ATOM 987 CD LYS A 66 -19.062 1.272 -5.765 1.00 0.00 C ATOM 988 CE LYS A 66 -18.245 1.587 -7.020 1.00 0.00 C ATOM 989 NZ LYS A 66 -18.286 3.053 -7.284 1.00 0.00 N ATOM 0 H LYS A 66 -14.181 0.883 -3.576 1.00 0.00 H new ATOM 0 HA LYS A 66 -16.931 1.240 -2.479 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.220 1.350 -5.280 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.053 -0.165 -4.993 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -18.774 1.290 -3.623 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -18.054 2.658 -4.448 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -19.356 0.222 -5.764 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -19.980 1.860 -5.759 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -17.214 1.259 -6.888 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.646 1.041 -7.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -17.731 3.268 -8.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -19.272 3.352 -7.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -17.884 3.563 -6.472 1.00 0.00 H new ATOM 1003 N ARG A 67 -17.118 -1.485 -2.817 1.00 0.00 N ATOM 1004 CA ARG A 67 -16.978 -2.922 -2.452 1.00 0.00 C ATOM 1005 C ARG A 67 -15.862 -3.553 -3.289 1.00 0.00 C ATOM 1006 O ARG A 67 -15.153 -4.429 -2.836 1.00 0.00 O ATOM 1007 CB ARG A 67 -18.296 -3.650 -2.724 1.00 0.00 C ATOM 1008 CG ARG A 67 -18.831 -3.247 -4.100 1.00 0.00 C ATOM 1009 CD ARG A 67 -19.798 -4.319 -4.606 1.00 0.00 C ATOM 1010 NE ARG A 67 -19.070 -5.263 -5.500 1.00 0.00 N ATOM 1011 CZ ARG A 67 -19.113 -6.547 -5.267 1.00 0.00 C ATOM 1012 NH1 ARG A 67 -20.259 -7.134 -5.056 1.00 0.00 N ATOM 1013 NH2 ARG A 67 -18.010 -7.243 -5.245 1.00 0.00 N ATOM 0 H ARG A 67 -18.064 -1.186 -3.053 1.00 0.00 H new ATOM 0 HA ARG A 67 -16.731 -3.006 -1.394 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -18.142 -4.728 -2.684 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -19.025 -3.403 -1.953 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -19.339 -2.285 -4.037 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -18.006 -3.126 -4.802 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -20.231 -4.859 -3.764 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -20.623 -3.854 -5.145 1.00 0.00 H new ATOM 0 HE ARG A 67 -18.538 -4.906 -6.294 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -21.122 -6.590 -5.073 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -20.292 -8.137 -4.874 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -17.114 -6.784 -5.410 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -18.043 -8.246 -5.063 1.00 0.00 H new ATOM 1027 N ALA A 68 -15.705 -3.117 -4.509 1.00 0.00 N ATOM 1028 CA ALA A 68 -14.645 -3.690 -5.377 1.00 0.00 C ATOM 1029 C ALA A 68 -13.268 -3.424 -4.761 1.00 0.00 C ATOM 1030 O ALA A 68 -12.384 -4.257 -4.813 1.00 0.00 O ATOM 1031 CB ALA A 68 -14.716 -3.042 -6.761 1.00 0.00 C ATOM 0 H ALA A 68 -16.269 -2.385 -4.941 1.00 0.00 H new ATOM 0 HA ALA A 68 -14.797 -4.766 -5.467 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -13.939 -3.461 -7.399 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -15.693 -3.236 -7.204 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -14.567 -1.966 -6.667 1.00 0.00 H new ATOM 1037 N ASP A 69 -13.076 -2.269 -4.185 1.00 0.00 N ATOM 1038 CA ASP A 69 -11.753 -1.951 -3.574 1.00 0.00 C ATOM 1039 C ASP A 69 -11.519 -2.841 -2.352 1.00 0.00 C ATOM 1040 O ASP A 69 -10.428 -2.907 -1.821 1.00 0.00 O ATOM 1041 CB ASP A 69 -11.729 -0.482 -3.147 1.00 0.00 C ATOM 1042 CG ASP A 69 -11.214 0.378 -4.303 1.00 0.00 C ATOM 1043 OD1 ASP A 69 -10.857 -0.188 -5.322 1.00 0.00 O ATOM 1044 OD2 ASP A 69 -11.187 1.588 -4.149 1.00 0.00 O ATOM 0 H ASP A 69 -13.777 -1.532 -4.111 1.00 0.00 H new ATOM 0 HA ASP A 69 -10.966 -2.132 -4.306 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -12.729 -0.160 -2.858 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -11.089 -0.357 -2.274 1.00 0.00 H new ATOM 1049 N SER A 70 -12.533 -3.527 -1.901 1.00 0.00 N ATOM 1050 CA SER A 70 -12.364 -4.410 -0.713 1.00 0.00 C ATOM 1051 C SER A 70 -11.461 -5.591 -1.077 1.00 0.00 C ATOM 1052 O SER A 70 -11.897 -6.556 -1.673 1.00 0.00 O ATOM 1053 CB SER A 70 -13.730 -4.931 -0.267 1.00 0.00 C ATOM 1054 OG SER A 70 -14.125 -6.000 -1.116 1.00 0.00 O ATOM 0 H SER A 70 -13.470 -3.514 -2.303 1.00 0.00 H new ATOM 0 HA SER A 70 -11.909 -3.843 0.099 1.00 0.00 H new ATOM 0 HB2 SER A 70 -13.682 -5.272 0.767 1.00 0.00 H new ATOM 0 HB3 SER A 70 -14.468 -4.130 -0.305 1.00 0.00 H new ATOM 0 HG SER A 70 -14.605 -5.642 -1.892 1.00 0.00 H new ATOM 1060 N GLY A 71 -10.205 -5.523 -0.725 1.00 0.00 N ATOM 1061 CA GLY A 71 -9.278 -6.643 -1.052 1.00 0.00 C ATOM 1062 C GLY A 71 -8.097 -6.638 -0.078 1.00 0.00 C ATOM 1063 O GLY A 71 -8.154 -6.045 0.984 1.00 0.00 O ATOM 0 H GLY A 71 -9.782 -4.741 -0.226 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.807 -7.594 -0.992 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.918 -6.542 -2.076 1.00 0.00 H new ATOM 1067 N ASN A 72 -7.022 -7.287 -0.434 1.00 0.00 N ATOM 1068 CA ASN A 72 -5.838 -7.313 0.468 1.00 0.00 C ATOM 1069 C ASN A 72 -4.755 -6.415 -0.121 1.00 0.00 C ATOM 1070 O ASN A 72 -3.963 -6.838 -0.934 1.00 0.00 O ATOM 1071 CB ASN A 72 -5.313 -8.745 0.583 1.00 0.00 C ATOM 1072 CG ASN A 72 -6.154 -9.518 1.601 1.00 0.00 C ATOM 1073 OD1 ASN A 72 -5.622 -10.141 2.498 1.00 0.00 O ATOM 1074 ND2 ASN A 72 -7.455 -9.504 1.499 1.00 0.00 N ATOM 0 H ASN A 72 -6.913 -7.799 -1.309 1.00 0.00 H new ATOM 0 HA ASN A 72 -6.117 -6.956 1.459 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -5.355 -9.238 -0.388 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -4.267 -8.736 0.891 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.025 -10.016 2.172 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -7.902 -8.981 0.746 1.00 0.00 H new ATOM 1081 N TYR A 73 -4.717 -5.177 0.275 1.00 0.00 N ATOM 1082 CA TYR A 73 -3.689 -4.258 -0.277 1.00 0.00 C ATOM 1083 C TYR A 73 -2.309 -4.658 0.239 1.00 0.00 C ATOM 1084 O TYR A 73 -1.831 -4.152 1.234 1.00 0.00 O ATOM 1085 CB TYR A 73 -4.009 -2.824 0.141 1.00 0.00 C ATOM 1086 CG TYR A 73 -5.058 -2.269 -0.791 1.00 0.00 C ATOM 1087 CD1 TYR A 73 -6.204 -3.021 -1.075 1.00 0.00 C ATOM 1088 CD2 TYR A 73 -4.883 -1.011 -1.377 1.00 0.00 C ATOM 1089 CE1 TYR A 73 -7.176 -2.515 -1.945 1.00 0.00 C ATOM 1090 CE2 TYR A 73 -5.855 -0.505 -2.248 1.00 0.00 C ATOM 1091 CZ TYR A 73 -7.001 -1.257 -2.532 1.00 0.00 C ATOM 1092 OH TYR A 73 -7.959 -0.757 -3.390 1.00 0.00 O ATOM 0 H TYR A 73 -5.353 -4.762 0.956 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.692 -4.322 -1.365 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.368 -2.802 1.170 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.109 -2.210 0.105 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.338 -3.992 -0.622 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.999 -0.431 -1.158 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.061 -3.095 -2.163 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.721 0.466 -2.701 1.00 0.00 H new ATOM 0 HH TYR A 73 -7.968 0.221 -3.336 1.00 0.00 H new ATOM 1102 N LYS A 74 -1.658 -5.556 -0.447 1.00 0.00 N ATOM 1103 CA LYS A 74 -0.302 -5.982 -0.018 1.00 0.00 C ATOM 1104 C LYS A 74 0.723 -5.063 -0.679 1.00 0.00 C ATOM 1105 O LYS A 74 0.838 -5.012 -1.889 1.00 0.00 O ATOM 1106 CB LYS A 74 -0.054 -7.428 -0.452 1.00 0.00 C ATOM 1107 CG LYS A 74 0.649 -8.186 0.676 1.00 0.00 C ATOM 1108 CD LYS A 74 0.945 -9.617 0.225 1.00 0.00 C ATOM 1109 CE LYS A 74 2.450 -9.785 0.011 1.00 0.00 C ATOM 1110 NZ LYS A 74 3.062 -10.381 1.232 1.00 0.00 N ATOM 0 H LYS A 74 -2.010 -6.013 -1.288 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.216 -5.921 1.067 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.999 -7.913 -0.696 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.557 -7.448 -1.354 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.576 -7.680 0.946 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.021 -8.197 1.567 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.592 -10.326 0.974 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.409 -9.836 -0.698 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.636 -10.425 -0.852 1.00 0.00 H new ATOM 0 HE3 LYS A 74 2.908 -8.819 -0.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.006 -9.972 1.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.462 -10.177 2.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.146 -11.411 1.111 1.00 0.00 H new ATOM 1124 N LEU A 75 1.462 -4.329 0.100 1.00 0.00 N ATOM 1125 CA LEU A 75 2.469 -3.411 -0.492 1.00 0.00 C ATOM 1126 C LEU A 75 3.861 -4.007 -0.285 1.00 0.00 C ATOM 1127 O LEU A 75 4.135 -4.627 0.721 1.00 0.00 O ATOM 1128 CB LEU A 75 2.358 -2.043 0.191 1.00 0.00 C ATOM 1129 CG LEU A 75 3.621 -1.216 -0.059 1.00 0.00 C ATOM 1130 CD1 LEU A 75 3.267 0.054 -0.825 1.00 0.00 C ATOM 1131 CD2 LEU A 75 4.241 -0.835 1.284 1.00 0.00 C ATOM 0 H LEU A 75 1.413 -4.325 1.119 1.00 0.00 H new ATOM 0 HA LEU A 75 2.294 -3.285 -1.560 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.486 -1.510 -0.188 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.209 -2.176 1.263 1.00 0.00 H new ATOM 0 HG LEU A 75 4.328 -1.804 -0.645 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.171 0.638 -0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.816 -0.212 -1.781 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.560 0.645 -0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.142 -0.245 1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.526 -0.248 1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.498 -1.739 1.836 1.00 0.00 H new ATOM 1143 N LYS A 76 4.740 -3.837 -1.231 1.00 0.00 N ATOM 1144 CA LYS A 76 6.106 -4.405 -1.079 1.00 0.00 C ATOM 1145 C LYS A 76 7.141 -3.413 -1.609 1.00 0.00 C ATOM 1146 O LYS A 76 7.199 -3.132 -2.791 1.00 0.00 O ATOM 1147 CB LYS A 76 6.202 -5.712 -1.869 1.00 0.00 C ATOM 1148 CG LYS A 76 7.664 -6.155 -1.950 1.00 0.00 C ATOM 1149 CD LYS A 76 8.178 -5.965 -3.378 1.00 0.00 C ATOM 1150 CE LYS A 76 7.881 -7.220 -4.200 1.00 0.00 C ATOM 1151 NZ LYS A 76 7.246 -6.831 -5.491 1.00 0.00 N ATOM 0 H LYS A 76 4.572 -3.331 -2.100 1.00 0.00 H new ATOM 0 HA LYS A 76 6.301 -4.598 -0.024 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.603 -6.485 -1.387 1.00 0.00 H new ATOM 0 HB3 LYS A 76 5.797 -5.574 -2.871 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.270 -5.574 -1.254 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.755 -7.201 -1.656 1.00 0.00 H new ATOM 0 HD2 LYS A 76 7.702 -5.097 -3.835 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.250 -5.771 -3.367 1.00 0.00 H new ATOM 0 HE2 LYS A 76 8.803 -7.771 -4.387 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.220 -7.884 -3.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.044 -7.685 -6.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.358 -6.323 -5.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 7.892 -6.214 -6.023 1.00 0.00 H new ATOM 1165 N VAL A 77 7.966 -2.888 -0.746 1.00 0.00 N ATOM 1166 CA VAL A 77 9.007 -1.929 -1.204 1.00 0.00 C ATOM 1167 C VAL A 77 10.366 -2.618 -1.131 1.00 0.00 C ATOM 1168 O VAL A 77 10.732 -3.180 -0.120 1.00 0.00 O ATOM 1169 CB VAL A 77 8.987 -0.678 -0.319 1.00 0.00 C ATOM 1170 CG1 VAL A 77 7.542 -0.355 0.045 1.00 0.00 C ATOM 1171 CG2 VAL A 77 9.784 -0.916 0.967 1.00 0.00 C ATOM 0 H VAL A 77 7.964 -3.082 0.255 1.00 0.00 H new ATOM 0 HA VAL A 77 8.811 -1.621 -2.231 1.00 0.00 H new ATOM 0 HB VAL A 77 9.439 0.150 -0.865 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.516 0.534 0.675 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.970 -0.172 -0.865 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.106 -1.196 0.585 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.758 -0.017 1.583 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.344 -1.746 1.519 1.00 0.00 H new ATOM 0 HG23 VAL A 77 10.817 -1.154 0.716 1.00 0.00 H new ATOM 1181 N LYS A 78 11.106 -2.600 -2.198 1.00 0.00 N ATOM 1182 CA LYS A 78 12.431 -3.286 -2.184 1.00 0.00 C ATOM 1183 C LYS A 78 13.529 -2.355 -2.698 1.00 0.00 C ATOM 1184 O LYS A 78 13.278 -1.245 -3.122 1.00 0.00 O ATOM 1185 CB LYS A 78 12.365 -4.521 -3.082 1.00 0.00 C ATOM 1186 CG LYS A 78 11.898 -5.727 -2.264 1.00 0.00 C ATOM 1187 CD LYS A 78 11.664 -6.917 -3.197 1.00 0.00 C ATOM 1188 CE LYS A 78 12.894 -7.119 -4.084 1.00 0.00 C ATOM 1189 NZ LYS A 78 14.089 -7.366 -3.228 1.00 0.00 N ATOM 0 H LYS A 78 10.857 -2.145 -3.076 1.00 0.00 H new ATOM 0 HA LYS A 78 12.665 -3.573 -1.159 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.680 -4.344 -3.911 1.00 0.00 H new ATOM 0 HB3 LYS A 78 13.345 -4.720 -3.516 1.00 0.00 H new ATOM 0 HG2 LYS A 78 12.646 -5.982 -1.513 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.979 -5.484 -1.730 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.471 -7.817 -2.614 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.783 -6.742 -3.814 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.736 -7.961 -4.757 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.055 -6.239 -4.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.881 -7.686 -3.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 14.355 -6.487 -2.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.866 -8.098 -2.524 1.00 0.00 H new ATOM 1203 N ASN A 79 14.750 -2.817 -2.668 1.00 0.00 N ATOM 1204 CA ASN A 79 15.886 -1.989 -3.156 1.00 0.00 C ATOM 1205 C ASN A 79 17.024 -2.915 -3.589 1.00 0.00 C ATOM 1206 O ASN A 79 18.135 -2.818 -3.107 1.00 0.00 O ATOM 1207 CB ASN A 79 16.375 -1.068 -2.037 1.00 0.00 C ATOM 1208 CG ASN A 79 17.495 -0.173 -2.569 1.00 0.00 C ATOM 1209 OD1 ASN A 79 18.631 -0.292 -2.156 1.00 0.00 O ATOM 1210 ND2 ASN A 79 17.222 0.724 -3.478 1.00 0.00 N ATOM 0 H ASN A 79 15.009 -3.741 -2.323 1.00 0.00 H new ATOM 0 HA ASN A 79 15.560 -1.381 -4.000 1.00 0.00 H new ATOM 0 HB2 ASN A 79 15.551 -0.457 -1.667 1.00 0.00 H new ATOM 0 HB3 ASN A 79 16.736 -1.660 -1.196 1.00 0.00 H new ATOM 0 HD21 ASN A 79 17.963 1.324 -3.841 1.00 0.00 H new ATOM 0 HD22 ASN A 79 16.268 0.824 -3.825 1.00 0.00 H new ATOM 1217 N GLU A 80 16.751 -3.811 -4.498 1.00 0.00 N ATOM 1218 CA GLU A 80 17.804 -4.749 -4.978 1.00 0.00 C ATOM 1219 C GLU A 80 18.511 -5.412 -3.790 1.00 0.00 C ATOM 1220 O GLU A 80 18.141 -6.485 -3.357 1.00 0.00 O ATOM 1221 CB GLU A 80 18.822 -3.975 -5.816 1.00 0.00 C ATOM 1222 CG GLU A 80 18.686 -4.380 -7.285 1.00 0.00 C ATOM 1223 CD GLU A 80 19.481 -3.409 -8.159 1.00 0.00 C ATOM 1224 OE1 GLU A 80 18.957 -2.350 -8.462 1.00 0.00 O ATOM 1225 OE2 GLU A 80 20.601 -3.741 -8.511 1.00 0.00 O ATOM 0 H GLU A 80 15.836 -3.934 -4.932 1.00 0.00 H new ATOM 0 HA GLU A 80 17.340 -5.526 -5.585 1.00 0.00 H new ATOM 0 HB2 GLU A 80 18.659 -2.903 -5.707 1.00 0.00 H new ATOM 0 HB3 GLU A 80 19.832 -4.182 -5.463 1.00 0.00 H new ATOM 0 HG2 GLU A 80 19.051 -5.397 -7.428 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.636 -4.374 -7.579 1.00 0.00 H new ATOM 1232 N LEU A 81 19.536 -4.791 -3.269 1.00 0.00 N ATOM 1233 CA LEU A 81 20.274 -5.396 -2.123 1.00 0.00 C ATOM 1234 C LEU A 81 19.428 -5.334 -0.849 1.00 0.00 C ATOM 1235 O LEU A 81 19.837 -5.801 0.196 1.00 0.00 O ATOM 1236 CB LEU A 81 21.580 -4.631 -1.901 1.00 0.00 C ATOM 1237 CG LEU A 81 22.330 -4.504 -3.227 1.00 0.00 C ATOM 1238 CD1 LEU A 81 22.795 -3.059 -3.415 1.00 0.00 C ATOM 1239 CD2 LEU A 81 23.547 -5.432 -3.215 1.00 0.00 C ATOM 0 H LEU A 81 19.894 -3.891 -3.588 1.00 0.00 H new ATOM 0 HA LEU A 81 20.488 -6.440 -2.354 1.00 0.00 H new ATOM 0 HB2 LEU A 81 21.370 -3.642 -1.494 1.00 0.00 H new ATOM 0 HB3 LEU A 81 22.199 -5.151 -1.170 1.00 0.00 H new ATOM 0 HG LEU A 81 21.667 -4.782 -4.046 1.00 0.00 H new ATOM 0 HD11 LEU A 81 23.330 -2.969 -4.361 1.00 0.00 H new ATOM 0 HD12 LEU A 81 21.930 -2.396 -3.423 1.00 0.00 H new ATOM 0 HD13 LEU A 81 23.458 -2.780 -2.596 1.00 0.00 H new ATOM 0 HD21 LEU A 81 24.082 -5.342 -4.160 1.00 0.00 H new ATOM 0 HD22 LEU A 81 24.209 -5.153 -2.395 1.00 0.00 H new ATOM 0 HD23 LEU A 81 23.218 -6.462 -3.081 1.00 0.00 H new ATOM 1251 N GLY A 82 18.258 -4.764 -0.916 1.00 0.00 N ATOM 1252 CA GLY A 82 17.408 -4.682 0.308 1.00 0.00 C ATOM 1253 C GLY A 82 15.975 -5.105 -0.021 1.00 0.00 C ATOM 1254 O GLY A 82 15.615 -5.272 -1.169 1.00 0.00 O ATOM 0 H GLY A 82 17.854 -4.354 -1.758 1.00 0.00 H new ATOM 0 HA2 GLY A 82 17.816 -5.325 1.088 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.415 -3.664 0.698 1.00 0.00 H new ATOM 1258 N GLU A 83 15.153 -5.277 0.981 1.00 0.00 N ATOM 1259 CA GLU A 83 13.744 -5.684 0.720 1.00 0.00 C ATOM 1260 C GLU A 83 12.905 -5.524 1.991 1.00 0.00 C ATOM 1261 O GLU A 83 13.328 -5.854 3.080 1.00 0.00 O ATOM 1262 CB GLU A 83 13.703 -7.144 0.271 1.00 0.00 C ATOM 1263 CG GLU A 83 14.484 -8.008 1.264 1.00 0.00 C ATOM 1264 CD GLU A 83 13.509 -8.872 2.066 1.00 0.00 C ATOM 1265 OE1 GLU A 83 12.672 -9.513 1.452 1.00 0.00 O ATOM 1266 OE2 GLU A 83 13.616 -8.878 3.281 1.00 0.00 O ATOM 0 H GLU A 83 15.396 -5.154 1.964 1.00 0.00 H new ATOM 0 HA GLU A 83 13.335 -5.047 -0.064 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.670 -7.487 0.209 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.132 -7.241 -0.726 1.00 0.00 H new ATOM 0 HG2 GLU A 83 15.194 -8.641 0.732 1.00 0.00 H new ATOM 0 HG3 GLU A 83 15.063 -7.375 1.936 1.00 0.00 H new ATOM 1273 N ASP A 84 11.710 -5.024 1.843 1.00 0.00 N ATOM 1274 CA ASP A 84 10.808 -4.836 3.013 1.00 0.00 C ATOM 1275 C ASP A 84 9.375 -4.702 2.494 1.00 0.00 C ATOM 1276 O ASP A 84 9.154 -4.250 1.389 1.00 0.00 O ATOM 1277 CB ASP A 84 11.203 -3.566 3.770 1.00 0.00 C ATOM 1278 CG ASP A 84 11.837 -3.945 5.109 1.00 0.00 C ATOM 1279 OD1 ASP A 84 11.300 -4.820 5.770 1.00 0.00 O ATOM 1280 OD2 ASP A 84 12.848 -3.355 5.452 1.00 0.00 O ATOM 0 H ASP A 84 11.315 -4.734 0.948 1.00 0.00 H new ATOM 0 HA ASP A 84 10.886 -5.686 3.690 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.905 -2.980 3.177 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.325 -2.941 3.935 1.00 0.00 H new ATOM 1285 N GLU A 85 8.396 -5.100 3.260 1.00 0.00 N ATOM 1286 CA GLU A 85 6.997 -4.994 2.765 1.00 0.00 C ATOM 1287 C GLU A 85 6.012 -4.931 3.938 1.00 0.00 C ATOM 1288 O GLU A 85 6.373 -5.116 5.083 1.00 0.00 O ATOM 1289 CB GLU A 85 6.697 -6.215 1.892 1.00 0.00 C ATOM 1290 CG GLU A 85 6.321 -7.415 2.769 1.00 0.00 C ATOM 1291 CD GLU A 85 6.556 -8.710 1.989 1.00 0.00 C ATOM 1292 OE1 GLU A 85 7.698 -9.128 1.902 1.00 0.00 O ATOM 1293 OE2 GLU A 85 5.588 -9.262 1.492 1.00 0.00 O ATOM 0 H GLU A 85 8.503 -5.490 4.197 1.00 0.00 H new ATOM 0 HA GLU A 85 6.885 -4.080 2.182 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.882 -5.988 1.205 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.568 -6.459 1.284 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.918 -7.414 3.681 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.276 -7.345 3.072 1.00 0.00 H new ATOM 1300 N ALA A 86 4.766 -4.675 3.645 1.00 0.00 N ATOM 1301 CA ALA A 86 3.735 -4.601 4.715 1.00 0.00 C ATOM 1302 C ALA A 86 2.389 -5.064 4.143 1.00 0.00 C ATOM 1303 O ALA A 86 2.038 -4.752 3.018 1.00 0.00 O ATOM 1304 CB ALA A 86 3.620 -3.158 5.211 1.00 0.00 C ATOM 0 H ALA A 86 4.417 -4.513 2.700 1.00 0.00 H new ATOM 0 HA ALA A 86 4.017 -5.243 5.549 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.865 -3.102 5.995 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.581 -2.832 5.609 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.332 -2.510 4.383 1.00 0.00 H new ATOM 1310 N ILE A 87 1.639 -5.818 4.903 1.00 0.00 N ATOM 1311 CA ILE A 87 0.324 -6.315 4.403 1.00 0.00 C ATOM 1312 C ILE A 87 -0.798 -5.388 4.874 1.00 0.00 C ATOM 1313 O ILE A 87 -0.955 -5.135 6.052 1.00 0.00 O ATOM 1314 CB ILE A 87 0.086 -7.729 4.943 1.00 0.00 C ATOM 1315 CG1 ILE A 87 -1.194 -8.317 4.328 1.00 0.00 C ATOM 1316 CG2 ILE A 87 -0.043 -7.682 6.467 1.00 0.00 C ATOM 1317 CD1 ILE A 87 -2.437 -7.641 4.921 1.00 0.00 C ATOM 0 H ILE A 87 1.881 -6.111 5.849 1.00 0.00 H new ATOM 0 HA ILE A 87 0.332 -6.333 3.313 1.00 0.00 H new ATOM 0 HB ILE A 87 0.931 -8.362 4.673 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.180 -8.181 3.247 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.233 -9.390 4.514 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.212 -8.689 6.849 1.00 0.00 H new ATOM 0 HG22 ILE A 87 0.874 -7.280 6.898 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -0.883 -7.044 6.742 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -3.333 -8.071 4.473 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.458 -7.800 5.999 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.404 -6.572 4.712 1.00 0.00 H new ATOM 1329 N PHE A 88 -1.589 -4.889 3.961 1.00 0.00 N ATOM 1330 CA PHE A 88 -2.709 -3.987 4.352 1.00 0.00 C ATOM 1331 C PHE A 88 -4.039 -4.613 3.926 1.00 0.00 C ATOM 1332 O PHE A 88 -4.432 -4.532 2.780 1.00 0.00 O ATOM 1333 CB PHE A 88 -2.549 -2.633 3.656 1.00 0.00 C ATOM 1334 CG PHE A 88 -1.197 -2.047 3.983 1.00 0.00 C ATOM 1335 CD1 PHE A 88 -0.056 -2.504 3.314 1.00 0.00 C ATOM 1336 CD2 PHE A 88 -1.086 -1.044 4.953 1.00 0.00 C ATOM 1337 CE1 PHE A 88 1.197 -1.959 3.617 1.00 0.00 C ATOM 1338 CE2 PHE A 88 0.167 -0.499 5.256 1.00 0.00 C ATOM 1339 CZ PHE A 88 1.308 -0.957 4.588 1.00 0.00 C ATOM 0 H PHE A 88 -1.507 -5.068 2.960 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.695 -3.846 5.433 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.652 -2.754 2.578 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.338 -1.953 3.978 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.142 -3.277 2.564 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.967 -0.691 5.468 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.078 -2.312 3.102 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.253 0.274 6.005 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.275 -0.537 4.822 1.00 0.00 H new ATOM 1349 N GLU A 89 -4.745 -5.225 4.836 1.00 0.00 N ATOM 1350 CA GLU A 89 -6.052 -5.838 4.466 1.00 0.00 C ATOM 1351 C GLU A 89 -7.102 -4.732 4.396 1.00 0.00 C ATOM 1352 O GLU A 89 -7.494 -4.178 5.401 1.00 0.00 O ATOM 1353 CB GLU A 89 -6.457 -6.866 5.526 1.00 0.00 C ATOM 1354 CG GLU A 89 -7.244 -8.000 4.865 1.00 0.00 C ATOM 1355 CD GLU A 89 -8.582 -8.180 5.584 1.00 0.00 C ATOM 1356 OE1 GLU A 89 -8.684 -7.747 6.720 1.00 0.00 O ATOM 1357 OE2 GLU A 89 -9.481 -8.747 4.987 1.00 0.00 O ATOM 0 H GLU A 89 -4.476 -5.327 5.815 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.971 -6.339 3.501 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.570 -7.264 6.019 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.063 -6.390 6.297 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.413 -7.774 3.812 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.670 -8.926 4.905 1.00 0.00 H new ATOM 1364 N VAL A 90 -7.549 -4.389 3.220 1.00 0.00 N ATOM 1365 CA VAL A 90 -8.555 -3.298 3.107 1.00 0.00 C ATOM 1366 C VAL A 90 -9.926 -3.877 2.765 1.00 0.00 C ATOM 1367 O VAL A 90 -10.088 -4.592 1.797 1.00 0.00 O ATOM 1368 CB VAL A 90 -8.119 -2.322 2.012 1.00 0.00 C ATOM 1369 CG1 VAL A 90 -8.886 -1.008 2.162 1.00 0.00 C ATOM 1370 CG2 VAL A 90 -6.618 -2.052 2.143 1.00 0.00 C ATOM 0 H VAL A 90 -7.263 -4.814 2.338 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.625 -2.774 4.060 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.330 -2.755 1.034 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.575 -0.314 1.382 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.955 -1.199 2.072 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.676 -0.573 3.139 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.304 -1.357 1.364 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.410 -1.619 3.121 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.069 -2.988 2.037 1.00 0.00 H new ATOM 1380 N ILE A 91 -10.918 -3.563 3.552 1.00 0.00 N ATOM 1381 CA ILE A 91 -12.284 -4.083 3.274 1.00 0.00 C ATOM 1382 C ILE A 91 -13.226 -2.906 3.016 1.00 0.00 C ATOM 1383 O ILE A 91 -12.894 -1.767 3.278 1.00 0.00 O ATOM 1384 CB ILE A 91 -12.787 -4.882 4.475 1.00 0.00 C ATOM 1385 CG1 ILE A 91 -12.016 -6.201 4.570 1.00 0.00 C ATOM 1386 CG2 ILE A 91 -14.276 -5.174 4.296 1.00 0.00 C ATOM 1387 CD1 ILE A 91 -11.093 -6.166 5.789 1.00 0.00 C ATOM 0 H ILE A 91 -10.840 -2.968 4.377 1.00 0.00 H new ATOM 0 HA ILE A 91 -12.255 -4.732 2.399 1.00 0.00 H new ATOM 0 HB ILE A 91 -12.633 -4.307 5.388 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -12.712 -7.036 4.651 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -11.432 -6.359 3.663 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -14.640 -5.744 5.151 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -14.825 -4.235 4.226 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -14.426 -5.751 3.384 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -10.544 -7.105 5.857 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -10.389 -5.340 5.688 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -11.688 -6.028 6.692 1.00 0.00 H new ATOM 1399 N VAL A 92 -14.394 -3.166 2.498 1.00 0.00 N ATOM 1400 CA VAL A 92 -15.343 -2.055 2.219 1.00 0.00 C ATOM 1401 C VAL A 92 -16.738 -2.426 2.722 1.00 0.00 C ATOM 1402 O VAL A 92 -17.181 -3.549 2.584 1.00 0.00 O ATOM 1403 CB VAL A 92 -15.388 -1.807 0.713 1.00 0.00 C ATOM 1404 CG1 VAL A 92 -16.052 -0.458 0.433 1.00 0.00 C ATOM 1405 CG2 VAL A 92 -13.959 -1.799 0.169 1.00 0.00 C ATOM 0 H VAL A 92 -14.731 -4.098 2.257 1.00 0.00 H new ATOM 0 HA VAL A 92 -15.011 -1.152 2.732 1.00 0.00 H new ATOM 0 HB VAL A 92 -15.964 -2.595 0.227 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -16.083 -0.284 -0.643 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -17.068 -0.463 0.829 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.480 0.336 0.913 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -13.980 -1.623 -0.906 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -13.389 -1.008 0.655 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -13.488 -2.761 0.370 1.00 0.00 H new ATOM 1415 N GLN A 93 -17.434 -1.489 3.304 1.00 0.00 N ATOM 1416 CA GLN A 93 -18.802 -1.785 3.816 1.00 0.00 C ATOM 1417 C GLN A 93 -19.843 -1.186 2.869 1.00 0.00 C ATOM 1418 O GLN A 93 -21.022 -1.350 3.136 1.00 0.00 O ATOM 1419 CB GLN A 93 -18.968 -1.173 5.209 1.00 0.00 C ATOM 1420 CG GLN A 93 -18.792 -2.262 6.269 1.00 0.00 C ATOM 1421 CD GLN A 93 -18.366 -1.623 7.591 1.00 0.00 C ATOM 1422 OE1 GLN A 93 -17.341 -0.974 7.664 1.00 0.00 O ATOM 1423 NE2 GLN A 93 -19.115 -1.779 8.648 1.00 0.00 N ATOM 1424 OXT GLN A 93 -19.443 -0.572 1.893 1.00 0.00 O ATOM 0 H GLN A 93 -17.115 -0.531 3.447 1.00 0.00 H new ATOM 0 HA GLN A 93 -18.942 -2.864 3.873 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -18.234 -0.382 5.360 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -19.953 -0.716 5.302 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -19.725 -2.809 6.402 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -18.043 -2.983 5.943 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -19.975 -2.324 8.588 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -18.840 -1.356 9.535 1.00 0.00 H new