USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 684 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 44 THR OG1 : rot 180:sc= -0.22! USER MOD Set 1.2: A 46 ASN : amide:sc= -0.361 X(o=-0.58,f=-0.9) USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.0758 (180deg=0) USER MOD Single : A 2 SER OG : rot 21:sc= 1.09 USER MOD Single : A 3 SER OG : rot 180:sc=-0.00948 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -157:sc= 0.0741 USER MOD Single : A 12 ASN : amide:sc= -0.541 X(o=-0.54,f=-0.048) USER MOD Single : A 20 LYS NZ :NH3+ 159:sc= -0.0483 (180deg=-0.311) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc=-0.00436 K(o=-0.0044,f=-0.78) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 149:sc= -0.245 (180deg=-1.53) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -109:sc= -0.309 (180deg=-2.02!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.368 X(o=-0.37,f=-0.0065) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 150:sc= -0.127 (180deg=-1.33) USER MOD Single : A 69 ASN : amide:sc= -1.37! C(o=-1.4!,f=-5.9!) USER MOD Single : A 71 GLN : amide:sc= -0.933 X(o=-0.93,f=-0.58) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.168 K(o=-0.17,f=-3.3!) USER MOD Single : A 79 THR OG1 : rot 38:sc= 0.234 USER MOD Single : A 81 SER OG : rot 34:sc= 1.07 USER MOD Single : A 82 TYR OH : rot -49:sc= 2.03 USER MOD Single : A 85 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0214) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= -0.0291 USER MOD Single : A 89 LYS NZ :NH3+ -112:sc= 1.08 (180deg=-0.713) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= -0.0836 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.827 7.604 -12.276 1.00 0.00 N ATOM 2 CA GLY A 1 -3.022 8.795 -12.073 1.00 0.00 C ATOM 3 C GLY A 1 -2.756 9.072 -10.607 1.00 0.00 C ATOM 4 O GLY A 1 -3.319 8.416 -9.732 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.270 6.892 -12.790 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.115 7.218 -11.354 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.673 7.847 -12.829 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.073 8.682 -12.596 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.529 9.652 -12.515 1.00 0.00 H new ATOM 8 N SER A 2 -1.892 10.046 -10.339 1.00 0.00 N ATOM 9 CA SER A 2 -1.547 10.405 -8.968 1.00 0.00 C ATOM 10 C SER A 2 -2.365 11.604 -8.498 1.00 0.00 C ATOM 11 O SER A 2 -2.155 12.729 -8.952 1.00 0.00 O ATOM 12 CB SER A 2 -0.053 10.719 -8.861 1.00 0.00 C ATOM 13 OG SER A 2 0.270 11.904 -9.567 1.00 0.00 O ATOM 0 H SER A 2 -1.418 10.600 -11.052 1.00 0.00 H new ATOM 0 HA SER A 2 -1.779 9.555 -8.327 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.225 10.829 -7.813 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.526 9.886 -9.258 1.00 0.00 H new ATOM 0 HG SER A 2 -0.538 12.446 -9.683 1.00 0.00 H new ATOM 19 N SER A 3 -3.298 11.355 -7.586 1.00 0.00 N ATOM 20 CA SER A 3 -4.152 12.412 -7.056 1.00 0.00 C ATOM 21 C SER A 3 -3.832 12.685 -5.589 1.00 0.00 C ATOM 22 O SER A 3 -3.772 11.765 -4.774 1.00 0.00 O ATOM 23 CB SER A 3 -5.626 12.030 -7.206 1.00 0.00 C ATOM 24 OG SER A 3 -6.014 11.097 -6.213 1.00 0.00 O ATOM 0 H SER A 3 -3.482 10.430 -7.198 1.00 0.00 H new ATOM 0 HA SER A 3 -3.960 13.320 -7.627 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.246 12.924 -7.132 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.796 11.605 -8.195 1.00 0.00 H new ATOM 0 HG SER A 3 -6.960 10.870 -6.329 1.00 0.00 H new ATOM 30 N GLY A 4 -3.628 13.957 -5.261 1.00 0.00 N ATOM 31 CA GLY A 4 -3.316 14.329 -3.893 1.00 0.00 C ATOM 32 C GLY A 4 -2.296 13.405 -3.259 1.00 0.00 C ATOM 33 O GLY A 4 -1.644 12.622 -3.949 1.00 0.00 O ATOM 0 H GLY A 4 -3.673 14.736 -5.918 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.937 15.351 -3.875 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.230 14.318 -3.299 1.00 0.00 H new ATOM 37 N SER A 5 -2.155 13.498 -1.940 1.00 0.00 N ATOM 38 CA SER A 5 -1.202 12.667 -1.213 1.00 0.00 C ATOM 39 C SER A 5 -1.891 11.920 -0.075 1.00 0.00 C ATOM 40 O SER A 5 -1.899 12.379 1.068 1.00 0.00 O ATOM 41 CB SER A 5 -0.063 13.526 -0.660 1.00 0.00 C ATOM 42 OG SER A 5 0.499 14.341 -1.673 1.00 0.00 O ATOM 0 H SER A 5 -2.688 14.140 -1.354 1.00 0.00 H new ATOM 0 HA SER A 5 -0.791 11.935 -1.908 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.436 14.153 0.150 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.709 12.883 -0.236 1.00 0.00 H new ATOM 0 HG SER A 5 1.223 14.881 -1.294 1.00 0.00 H new ATOM 48 N SER A 6 -2.467 10.767 -0.395 1.00 0.00 N ATOM 49 CA SER A 6 -3.162 9.957 0.599 1.00 0.00 C ATOM 50 C SER A 6 -2.462 8.615 0.791 1.00 0.00 C ATOM 51 O SER A 6 -2.880 7.599 0.237 1.00 0.00 O ATOM 52 CB SER A 6 -4.616 9.731 0.178 1.00 0.00 C ATOM 53 OG SER A 6 -5.382 10.912 0.339 1.00 0.00 O ATOM 0 H SER A 6 -2.467 10.372 -1.335 1.00 0.00 H new ATOM 0 HA SER A 6 -3.145 10.495 1.547 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.651 9.410 -0.863 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.050 8.928 0.774 1.00 0.00 H new ATOM 0 HG SER A 6 -6.330 10.678 0.420 1.00 0.00 H new ATOM 59 N GLY A 7 -1.394 8.619 1.582 1.00 0.00 N ATOM 60 CA GLY A 7 -0.652 7.398 1.835 1.00 0.00 C ATOM 61 C GLY A 7 -1.173 6.642 3.041 1.00 0.00 C ATOM 62 O GLY A 7 -1.822 7.222 3.912 1.00 0.00 O ATOM 0 H GLY A 7 -1.029 9.447 2.053 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.706 6.755 0.956 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.399 7.641 1.989 1.00 0.00 H new ATOM 66 N ILE A 8 -0.890 5.345 3.093 1.00 0.00 N ATOM 67 CA ILE A 8 -1.335 4.510 4.201 1.00 0.00 C ATOM 68 C ILE A 8 -0.150 3.872 4.919 1.00 0.00 C ATOM 69 O ILE A 8 0.848 3.513 4.294 1.00 0.00 O ATOM 70 CB ILE A 8 -2.288 3.399 3.722 1.00 0.00 C ATOM 71 CG1 ILE A 8 -1.679 2.651 2.534 1.00 0.00 C ATOM 72 CG2 ILE A 8 -3.640 3.988 3.346 1.00 0.00 C ATOM 73 CD1 ILE A 8 -2.107 1.203 2.449 1.00 0.00 C ATOM 0 H ILE A 8 -0.354 4.850 2.380 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.869 5.162 4.893 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.435 2.690 4.537 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.960 3.159 1.612 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.592 2.697 2.604 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.303 3.191 3.009 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.077 4.481 4.215 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.510 4.715 2.544 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.638 0.735 1.584 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.802 0.680 3.355 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.191 1.149 2.347 1.00 0.00 H new ATOM 85 N PHE A 9 -0.269 3.732 6.235 1.00 0.00 N ATOM 86 CA PHE A 9 0.792 3.136 7.039 1.00 0.00 C ATOM 87 C PHE A 9 0.465 1.686 7.382 1.00 0.00 C ATOM 88 O PHE A 9 -0.674 1.357 7.714 1.00 0.00 O ATOM 89 CB PHE A 9 1.000 3.941 8.324 1.00 0.00 C ATOM 90 CG PHE A 9 1.716 3.177 9.400 1.00 0.00 C ATOM 91 CD1 PHE A 9 3.101 3.143 9.441 1.00 0.00 C ATOM 92 CD2 PHE A 9 1.005 2.492 10.372 1.00 0.00 C ATOM 93 CE1 PHE A 9 3.763 2.441 10.430 1.00 0.00 C ATOM 94 CE2 PHE A 9 1.661 1.789 11.364 1.00 0.00 C ATOM 95 CZ PHE A 9 3.042 1.762 11.393 1.00 0.00 C ATOM 0 H PHE A 9 -1.089 4.023 6.767 1.00 0.00 H new ATOM 0 HA PHE A 9 1.711 3.154 6.454 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.567 4.842 8.091 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.030 4.263 8.702 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.670 3.672 8.691 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.075 2.508 10.354 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.843 2.423 10.450 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.094 1.261 12.117 1.00 0.00 H new ATOM 0 HZ PHE A 9 3.557 1.211 12.167 1.00 0.00 H new ATOM 105 N ILE A 10 1.473 0.823 7.298 1.00 0.00 N ATOM 106 CA ILE A 10 1.293 -0.591 7.599 1.00 0.00 C ATOM 107 C ILE A 10 2.391 -1.099 8.529 1.00 0.00 C ATOM 108 O ILE A 10 3.578 -0.965 8.235 1.00 0.00 O ATOM 109 CB ILE A 10 1.287 -1.444 6.317 1.00 0.00 C ATOM 110 CG1 ILE A 10 0.370 -0.816 5.265 1.00 0.00 C ATOM 111 CG2 ILE A 10 0.848 -2.867 6.628 1.00 0.00 C ATOM 112 CD1 ILE A 10 0.779 -1.129 3.843 1.00 0.00 C ATOM 0 H ILE A 10 2.422 1.079 7.024 1.00 0.00 H new ATOM 0 HA ILE A 10 0.327 -0.687 8.094 1.00 0.00 H new ATOM 0 HB ILE A 10 2.300 -1.477 5.916 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.649 -1.167 5.427 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.360 0.265 5.402 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.849 -3.457 5.711 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.537 -3.312 7.346 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.157 -2.854 7.050 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.085 -0.652 3.151 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.786 -0.753 3.663 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.761 -2.208 3.688 1.00 0.00 H new ATOM 124 N GLY A 11 1.984 -1.685 9.651 1.00 0.00 N ATOM 125 CA GLY A 11 2.945 -2.205 10.606 1.00 0.00 C ATOM 126 C GLY A 11 2.758 -3.687 10.867 1.00 0.00 C ATOM 127 O GLY A 11 1.749 -4.271 10.474 1.00 0.00 O ATOM 0 H GLY A 11 1.007 -1.809 9.915 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.954 -2.029 10.234 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.852 -1.659 11.545 1.00 0.00 H new ATOM 131 N ASN A 12 3.733 -4.297 11.533 1.00 0.00 N ATOM 132 CA ASN A 12 3.673 -5.720 11.844 1.00 0.00 C ATOM 133 C ASN A 12 3.833 -6.561 10.581 1.00 0.00 C ATOM 134 O ASN A 12 3.140 -7.562 10.396 1.00 0.00 O ATOM 135 CB ASN A 12 2.347 -6.057 12.529 1.00 0.00 C ATOM 136 CG ASN A 12 2.468 -7.235 13.476 1.00 0.00 C ATOM 137 OD1 ASN A 12 2.474 -7.068 14.696 1.00 0.00 O ATOM 138 ND2 ASN A 12 2.566 -8.436 12.917 1.00 0.00 N ATOM 0 H ASN A 12 4.574 -3.828 11.868 1.00 0.00 H new ATOM 0 HA ASN A 12 4.495 -5.953 12.521 1.00 0.00 H new ATOM 0 HB2 ASN A 12 1.995 -5.186 13.081 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.596 -6.279 11.771 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.650 -9.266 13.504 1.00 0.00 H new ATOM 0 HD22 ASN A 12 2.557 -8.528 11.901 1.00 0.00 H new ATOM 145 N LEU A 13 4.752 -6.147 9.716 1.00 0.00 N ATOM 146 CA LEU A 13 5.006 -6.862 8.469 1.00 0.00 C ATOM 147 C LEU A 13 6.109 -7.899 8.651 1.00 0.00 C ATOM 148 O LEU A 13 7.178 -7.596 9.183 1.00 0.00 O ATOM 149 CB LEU A 13 5.392 -5.879 7.363 1.00 0.00 C ATOM 150 CG LEU A 13 4.234 -5.149 6.681 1.00 0.00 C ATOM 151 CD1 LEU A 13 4.740 -3.919 5.942 1.00 0.00 C ATOM 152 CD2 LEU A 13 3.503 -6.082 5.727 1.00 0.00 C ATOM 0 H LEU A 13 5.334 -5.321 9.854 1.00 0.00 H new ATOM 0 HA LEU A 13 4.090 -7.379 8.183 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.067 -5.134 7.785 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.952 -6.421 6.601 1.00 0.00 H new ATOM 0 HG LEU A 13 3.532 -4.824 7.449 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.902 -3.412 5.463 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.218 -3.241 6.649 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.463 -4.222 5.184 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.682 -5.545 5.251 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.195 -6.437 4.964 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.107 -6.932 6.282 1.00 0.00 H new ATOM 164 N ASP A 14 5.845 -9.122 8.205 1.00 0.00 N ATOM 165 CA ASP A 14 6.817 -10.203 8.315 1.00 0.00 C ATOM 166 C ASP A 14 8.112 -9.846 7.592 1.00 0.00 C ATOM 167 O ASP A 14 8.105 -9.257 6.511 1.00 0.00 O ATOM 168 CB ASP A 14 6.238 -11.498 7.742 1.00 0.00 C ATOM 169 CG ASP A 14 6.895 -12.734 8.326 1.00 0.00 C ATOM 170 OD1 ASP A 14 6.425 -13.215 9.378 1.00 0.00 O ATOM 171 OD2 ASP A 14 7.879 -13.220 7.729 1.00 0.00 O ATOM 0 H ASP A 14 4.965 -9.390 7.764 1.00 0.00 H new ATOM 0 HA ASP A 14 7.041 -10.351 9.371 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.167 -11.532 7.939 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.363 -11.501 6.659 1.00 0.00 H new ATOM 176 N PRO A 15 9.250 -10.210 8.201 1.00 0.00 N ATOM 177 CA PRO A 15 10.574 -9.937 7.633 1.00 0.00 C ATOM 178 C PRO A 15 10.855 -10.776 6.391 1.00 0.00 C ATOM 179 O PRO A 15 11.849 -10.560 5.698 1.00 0.00 O ATOM 180 CB PRO A 15 11.531 -10.320 8.765 1.00 0.00 C ATOM 181 CG PRO A 15 10.779 -11.318 9.576 1.00 0.00 C ATOM 182 CD PRO A 15 9.332 -10.915 9.491 1.00 0.00 C ATOM 0 HA PRO A 15 10.672 -8.902 7.305 1.00 0.00 H new ATOM 0 HB2 PRO A 15 12.456 -10.744 8.375 1.00 0.00 H new ATOM 0 HB3 PRO A 15 11.806 -9.451 9.362 1.00 0.00 H new ATOM 0 HG2 PRO A 15 10.927 -12.326 9.189 1.00 0.00 H new ATOM 0 HG3 PRO A 15 11.124 -11.320 10.610 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.671 -11.781 9.518 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.045 -10.269 10.321 1.00 0.00 H new ATOM 190 N GLU A 16 9.974 -11.733 6.116 1.00 0.00 N ATOM 191 CA GLU A 16 10.130 -12.604 4.957 1.00 0.00 C ATOM 192 C GLU A 16 9.469 -11.993 3.725 1.00 0.00 C ATOM 193 O GLU A 16 9.727 -12.414 2.597 1.00 0.00 O ATOM 194 CB GLU A 16 9.528 -13.981 5.242 1.00 0.00 C ATOM 195 CG GLU A 16 10.371 -14.832 6.177 1.00 0.00 C ATOM 196 CD GLU A 16 11.616 -15.379 5.505 1.00 0.00 C ATOM 197 OE1 GLU A 16 11.516 -16.423 4.828 1.00 0.00 O ATOM 198 OE2 GLU A 16 12.691 -14.761 5.657 1.00 0.00 O ATOM 0 H GLU A 16 9.146 -11.925 6.680 1.00 0.00 H new ATOM 0 HA GLU A 16 11.196 -12.715 4.759 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.537 -13.852 5.676 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.396 -14.513 4.300 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.662 -14.236 7.042 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.769 -15.661 6.549 1.00 0.00 H new ATOM 205 N ILE A 17 8.616 -10.999 3.950 1.00 0.00 N ATOM 206 CA ILE A 17 7.919 -10.330 2.859 1.00 0.00 C ATOM 207 C ILE A 17 8.848 -9.376 2.115 1.00 0.00 C ATOM 208 O ILE A 17 9.746 -8.779 2.710 1.00 0.00 O ATOM 209 CB ILE A 17 6.697 -9.544 3.369 1.00 0.00 C ATOM 210 CG1 ILE A 17 5.709 -10.487 4.060 1.00 0.00 C ATOM 211 CG2 ILE A 17 6.022 -8.810 2.221 1.00 0.00 C ATOM 212 CD1 ILE A 17 4.729 -9.777 4.966 1.00 0.00 C ATOM 0 H ILE A 17 8.391 -10.640 4.878 1.00 0.00 H new ATOM 0 HA ILE A 17 7.581 -11.110 2.177 1.00 0.00 H new ATOM 0 HB ILE A 17 7.036 -8.806 4.096 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.155 -11.039 3.301 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.266 -11.219 4.644 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.160 -8.259 2.598 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.728 -8.114 1.769 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.693 -9.530 1.472 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.060 -10.507 5.422 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.274 -9.247 5.747 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.145 -9.064 4.383 1.00 0.00 H new ATOM 224 N ASP A 18 8.625 -9.237 0.813 1.00 0.00 N ATOM 225 CA ASP A 18 9.441 -8.353 -0.012 1.00 0.00 C ATOM 226 C ASP A 18 8.579 -7.286 -0.681 1.00 0.00 C ATOM 227 O ASP A 18 7.370 -7.457 -0.832 1.00 0.00 O ATOM 228 CB ASP A 18 10.192 -9.159 -1.072 1.00 0.00 C ATOM 229 CG ASP A 18 10.982 -10.307 -0.475 1.00 0.00 C ATOM 230 OD1 ASP A 18 11.829 -10.050 0.406 1.00 0.00 O ATOM 231 OD2 ASP A 18 10.752 -11.463 -0.888 1.00 0.00 O ATOM 0 H ASP A 18 7.886 -9.725 0.306 1.00 0.00 H new ATOM 0 HA ASP A 18 10.164 -7.857 0.635 1.00 0.00 H new ATOM 0 HB2 ASP A 18 9.480 -9.551 -1.798 1.00 0.00 H new ATOM 0 HB3 ASP A 18 10.869 -8.499 -1.614 1.00 0.00 H new ATOM 236 N GLU A 19 9.211 -6.186 -1.079 1.00 0.00 N ATOM 237 CA GLU A 19 8.501 -5.092 -1.730 1.00 0.00 C ATOM 238 C GLU A 19 7.555 -5.620 -2.805 1.00 0.00 C ATOM 239 O GLU A 19 6.424 -5.151 -2.938 1.00 0.00 O ATOM 240 CB GLU A 19 9.495 -4.106 -2.349 1.00 0.00 C ATOM 241 CG GLU A 19 10.474 -3.519 -1.346 1.00 0.00 C ATOM 242 CD GLU A 19 11.632 -2.803 -2.013 1.00 0.00 C ATOM 243 OE1 GLU A 19 11.397 -2.108 -3.024 1.00 0.00 O ATOM 244 OE2 GLU A 19 12.774 -2.938 -1.526 1.00 0.00 O ATOM 0 H GLU A 19 10.212 -6.029 -0.962 1.00 0.00 H new ATOM 0 HA GLU A 19 7.911 -4.575 -0.973 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.054 -4.612 -3.136 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.942 -3.294 -2.822 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.947 -2.822 -0.695 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.861 -4.317 -0.712 1.00 0.00 H new ATOM 251 N LYS A 20 8.027 -6.598 -3.570 1.00 0.00 N ATOM 252 CA LYS A 20 7.225 -7.192 -4.633 1.00 0.00 C ATOM 253 C LYS A 20 5.899 -7.714 -4.088 1.00 0.00 C ATOM 254 O LYS A 20 4.830 -7.225 -4.455 1.00 0.00 O ATOM 255 CB LYS A 20 7.996 -8.330 -5.306 1.00 0.00 C ATOM 256 CG LYS A 20 9.059 -7.853 -6.280 1.00 0.00 C ATOM 257 CD LYS A 20 8.451 -7.432 -7.607 1.00 0.00 C ATOM 258 CE LYS A 20 9.496 -7.394 -8.712 1.00 0.00 C ATOM 259 NZ LYS A 20 9.970 -8.759 -9.073 1.00 0.00 N ATOM 0 H LYS A 20 8.961 -6.996 -3.474 1.00 0.00 H new ATOM 0 HA LYS A 20 7.014 -6.418 -5.371 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.468 -8.942 -4.537 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.291 -8.971 -5.836 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.602 -7.014 -5.845 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.784 -8.649 -6.447 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.656 -8.126 -7.880 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.994 -6.448 -7.503 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.075 -6.911 -9.594 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.343 -6.788 -8.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.387 -8.741 -10.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.687 -9.070 -8.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.167 -9.420 -9.059 1.00 0.00 H new ATOM 273 N LEU A 21 5.976 -8.709 -3.211 1.00 0.00 N ATOM 274 CA LEU A 21 4.782 -9.297 -2.614 1.00 0.00 C ATOM 275 C LEU A 21 3.773 -8.216 -2.239 1.00 0.00 C ATOM 276 O LEU A 21 2.696 -8.125 -2.831 1.00 0.00 O ATOM 277 CB LEU A 21 5.156 -10.113 -1.376 1.00 0.00 C ATOM 278 CG LEU A 21 4.076 -11.054 -0.841 1.00 0.00 C ATOM 279 CD1 LEU A 21 3.818 -12.185 -1.824 1.00 0.00 C ATOM 280 CD2 LEU A 21 4.477 -11.607 0.519 1.00 0.00 C ATOM 0 H LEU A 21 6.853 -9.125 -2.898 1.00 0.00 H new ATOM 0 HA LEU A 21 4.324 -9.956 -3.351 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.042 -10.704 -1.609 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.434 -9.422 -0.580 1.00 0.00 H new ATOM 0 HG LEU A 21 3.153 -10.487 -0.722 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.047 -12.844 -1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.486 -11.771 -2.776 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.737 -12.752 -1.976 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.697 -12.275 0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.413 -12.159 0.426 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.609 -10.784 1.222 1.00 0.00 H new ATOM 292 N LEU A 22 4.128 -7.398 -1.255 1.00 0.00 N ATOM 293 CA LEU A 22 3.254 -6.322 -0.802 1.00 0.00 C ATOM 294 C LEU A 22 2.557 -5.653 -1.983 1.00 0.00 C ATOM 295 O LEU A 22 1.331 -5.544 -2.013 1.00 0.00 O ATOM 296 CB LEU A 22 4.056 -5.285 -0.014 1.00 0.00 C ATOM 297 CG LEU A 22 4.353 -5.633 1.445 1.00 0.00 C ATOM 298 CD1 LEU A 22 5.509 -4.796 1.969 1.00 0.00 C ATOM 299 CD2 LEU A 22 3.113 -5.431 2.304 1.00 0.00 C ATOM 0 H LEU A 22 5.015 -7.459 -0.755 1.00 0.00 H new ATOM 0 HA LEU A 22 2.493 -6.754 -0.152 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.003 -5.121 -0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.513 -4.340 -0.038 1.00 0.00 H new ATOM 0 HG LEU A 22 4.640 -6.683 1.497 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.706 -5.058 3.009 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.399 -4.991 1.371 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.252 -3.739 1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.342 -5.683 3.339 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.796 -4.390 2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.311 -6.075 1.943 1.00 0.00 H new ATOM 311 N TYR A 23 3.347 -5.207 -2.954 1.00 0.00 N ATOM 312 CA TYR A 23 2.807 -4.549 -4.137 1.00 0.00 C ATOM 313 C TYR A 23 1.569 -5.279 -4.649 1.00 0.00 C ATOM 314 O TYR A 23 0.517 -4.673 -4.852 1.00 0.00 O ATOM 315 CB TYR A 23 3.866 -4.483 -5.238 1.00 0.00 C ATOM 316 CG TYR A 23 3.452 -3.647 -6.428 1.00 0.00 C ATOM 317 CD1 TYR A 23 2.550 -4.135 -7.365 1.00 0.00 C ATOM 318 CD2 TYR A 23 3.963 -2.368 -6.615 1.00 0.00 C ATOM 319 CE1 TYR A 23 2.169 -3.375 -8.454 1.00 0.00 C ATOM 320 CE2 TYR A 23 3.587 -1.601 -7.700 1.00 0.00 C ATOM 321 CZ TYR A 23 2.690 -2.108 -8.617 1.00 0.00 C ATOM 322 OH TYR A 23 2.313 -1.347 -9.700 1.00 0.00 O ATOM 0 H TYR A 23 4.364 -5.290 -2.944 1.00 0.00 H new ATOM 0 HA TYR A 23 2.519 -3.535 -3.858 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.787 -4.075 -4.821 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.090 -5.495 -5.576 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.139 -5.126 -7.240 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.666 -1.967 -5.900 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.467 -3.770 -9.174 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.993 -0.609 -7.830 1.00 0.00 H new ATOM 0 HH TYR A 23 2.770 -0.481 -9.666 1.00 0.00 H new ATOM 332 N ASP A 24 1.704 -6.584 -4.856 1.00 0.00 N ATOM 333 CA ASP A 24 0.597 -7.399 -5.343 1.00 0.00 C ATOM 334 C ASP A 24 -0.456 -7.591 -4.256 1.00 0.00 C ATOM 335 O ASP A 24 -1.631 -7.277 -4.452 1.00 0.00 O ATOM 336 CB ASP A 24 1.108 -8.759 -5.820 1.00 0.00 C ATOM 337 CG ASP A 24 0.119 -9.464 -6.727 1.00 0.00 C ATOM 338 OD1 ASP A 24 -1.011 -9.738 -6.272 1.00 0.00 O ATOM 339 OD2 ASP A 24 0.475 -9.743 -7.891 1.00 0.00 O ATOM 0 H ASP A 24 2.569 -7.100 -4.694 1.00 0.00 H new ATOM 0 HA ASP A 24 0.137 -6.878 -6.182 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.051 -8.624 -6.351 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.316 -9.389 -4.955 1.00 0.00 H new ATOM 344 N THR A 25 -0.028 -8.109 -3.109 1.00 0.00 N ATOM 345 CA THR A 25 -0.934 -8.345 -1.992 1.00 0.00 C ATOM 346 C THR A 25 -1.922 -7.195 -1.833 1.00 0.00 C ATOM 347 O THR A 25 -3.079 -7.403 -1.469 1.00 0.00 O ATOM 348 CB THR A 25 -0.162 -8.529 -0.672 1.00 0.00 C ATOM 349 OG1 THR A 25 0.702 -9.668 -0.765 1.00 0.00 O ATOM 350 CG2 THR A 25 -1.120 -8.708 0.495 1.00 0.00 C ATOM 0 H THR A 25 0.941 -8.373 -2.929 1.00 0.00 H new ATOM 0 HA THR A 25 -1.480 -9.261 -2.216 1.00 0.00 H new ATOM 0 HB THR A 25 0.434 -7.633 -0.498 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.191 -9.778 0.077 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.551 -8.836 1.416 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.757 -7.828 0.581 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.739 -9.589 0.325 1.00 0.00 H new ATOM 358 N PHE A 26 -1.458 -5.980 -2.109 1.00 0.00 N ATOM 359 CA PHE A 26 -2.302 -4.796 -1.996 1.00 0.00 C ATOM 360 C PHE A 26 -2.949 -4.460 -3.336 1.00 0.00 C ATOM 361 O PHE A 26 -4.105 -4.039 -3.391 1.00 0.00 O ATOM 362 CB PHE A 26 -1.480 -3.604 -1.500 1.00 0.00 C ATOM 363 CG PHE A 26 -1.221 -3.629 -0.021 1.00 0.00 C ATOM 364 CD1 PHE A 26 -0.586 -4.711 0.567 1.00 0.00 C ATOM 365 CD2 PHE A 26 -1.613 -2.570 0.782 1.00 0.00 C ATOM 366 CE1 PHE A 26 -0.345 -4.736 1.928 1.00 0.00 C ATOM 367 CE2 PHE A 26 -1.374 -2.589 2.144 1.00 0.00 C ATOM 368 CZ PHE A 26 -0.741 -3.675 2.717 1.00 0.00 C ATOM 0 H PHE A 26 -0.503 -5.790 -2.412 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.091 -5.010 -1.275 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.526 -3.586 -2.028 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.002 -2.682 -1.754 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.276 -5.545 -0.045 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.111 -1.720 0.339 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.153 -5.585 2.373 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.682 -1.756 2.759 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.556 -3.694 3.781 1.00 0.00 H new ATOM 378 N SER A 27 -2.196 -4.649 -4.414 1.00 0.00 N ATOM 379 CA SER A 27 -2.694 -4.362 -5.754 1.00 0.00 C ATOM 380 C SER A 27 -4.111 -4.897 -5.934 1.00 0.00 C ATOM 381 O SER A 27 -4.862 -4.424 -6.786 1.00 0.00 O ATOM 382 CB SER A 27 -1.768 -4.974 -6.807 1.00 0.00 C ATOM 383 OG SER A 27 -2.282 -4.779 -8.113 1.00 0.00 O ATOM 0 H SER A 27 -1.239 -5.000 -4.386 1.00 0.00 H new ATOM 0 HA SER A 27 -2.714 -3.280 -5.883 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.778 -4.524 -6.731 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.649 -6.040 -6.615 1.00 0.00 H new ATOM 0 HG SER A 27 -1.671 -5.178 -8.768 1.00 0.00 H new ATOM 389 N ALA A 28 -4.470 -5.887 -5.123 1.00 0.00 N ATOM 390 CA ALA A 28 -5.797 -6.487 -5.190 1.00 0.00 C ATOM 391 C ALA A 28 -6.880 -5.457 -4.887 1.00 0.00 C ATOM 392 O ALA A 28 -7.916 -5.418 -5.551 1.00 0.00 O ATOM 393 CB ALA A 28 -5.896 -7.659 -4.224 1.00 0.00 C ATOM 0 H ALA A 28 -3.860 -6.290 -4.412 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.953 -6.853 -6.205 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.892 -8.097 -4.285 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.152 -8.411 -4.487 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.715 -7.309 -3.208 1.00 0.00 H new ATOM 399 N PHE A 29 -6.634 -4.624 -3.881 1.00 0.00 N ATOM 400 CA PHE A 29 -7.590 -3.595 -3.490 1.00 0.00 C ATOM 401 C PHE A 29 -7.645 -2.480 -4.530 1.00 0.00 C ATOM 402 O PHE A 29 -8.682 -2.244 -5.149 1.00 0.00 O ATOM 403 CB PHE A 29 -7.216 -3.015 -2.124 1.00 0.00 C ATOM 404 CG PHE A 29 -7.230 -4.031 -1.018 1.00 0.00 C ATOM 405 CD1 PHE A 29 -8.423 -4.419 -0.430 1.00 0.00 C ATOM 406 CD2 PHE A 29 -6.049 -4.598 -0.566 1.00 0.00 C ATOM 407 CE1 PHE A 29 -8.438 -5.353 0.589 1.00 0.00 C ATOM 408 CE2 PHE A 29 -6.058 -5.533 0.452 1.00 0.00 C ATOM 409 CZ PHE A 29 -7.254 -5.911 1.030 1.00 0.00 C ATOM 0 H PHE A 29 -5.781 -4.642 -3.322 1.00 0.00 H new ATOM 0 HA PHE A 29 -8.576 -4.056 -3.425 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.222 -2.571 -2.186 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.910 -2.211 -1.877 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -9.352 -3.987 -0.772 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.111 -4.306 -1.014 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.375 -5.646 1.040 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.131 -5.968 0.795 1.00 0.00 H new ATOM 0 HZ PHE A 29 -7.263 -6.642 1.825 1.00 0.00 H new ATOM 419 N GLY A 30 -6.520 -1.797 -4.717 1.00 0.00 N ATOM 420 CA GLY A 30 -6.461 -0.714 -5.682 1.00 0.00 C ATOM 421 C GLY A 30 -5.181 -0.731 -6.495 1.00 0.00 C ATOM 422 O GLY A 30 -4.537 -1.772 -6.630 1.00 0.00 O ATOM 0 H GLY A 30 -5.648 -1.974 -4.218 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.316 -0.784 -6.355 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.543 0.239 -5.160 1.00 0.00 H new ATOM 426 N VAL A 31 -4.813 0.424 -7.040 1.00 0.00 N ATOM 427 CA VAL A 31 -3.602 0.537 -7.844 1.00 0.00 C ATOM 428 C VAL A 31 -2.538 1.358 -7.124 1.00 0.00 C ATOM 429 O VAL A 31 -2.787 2.493 -6.716 1.00 0.00 O ATOM 430 CB VAL A 31 -3.895 1.184 -9.211 1.00 0.00 C ATOM 431 CG1 VAL A 31 -2.602 1.444 -9.968 1.00 0.00 C ATOM 432 CG2 VAL A 31 -4.832 0.305 -10.026 1.00 0.00 C ATOM 0 H VAL A 31 -5.336 1.294 -6.940 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.231 -0.476 -8.001 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.387 2.142 -9.042 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.830 1.901 -10.931 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.970 2.116 -9.388 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.079 0.501 -10.129 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.028 0.777 -10.989 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.369 -0.669 -10.187 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.771 0.176 -9.487 1.00 0.00 H new ATOM 442 N ILE A 32 -1.354 0.777 -6.970 1.00 0.00 N ATOM 443 CA ILE A 32 -0.251 1.455 -6.300 1.00 0.00 C ATOM 444 C ILE A 32 0.450 2.427 -7.243 1.00 0.00 C ATOM 445 O ILE A 32 0.666 2.124 -8.417 1.00 0.00 O ATOM 446 CB ILE A 32 0.781 0.450 -5.756 1.00 0.00 C ATOM 447 CG1 ILE A 32 0.145 -0.438 -4.685 1.00 0.00 C ATOM 448 CG2 ILE A 32 1.990 1.184 -5.195 1.00 0.00 C ATOM 449 CD1 ILE A 32 0.966 -1.664 -4.350 1.00 0.00 C ATOM 0 H ILE A 32 -1.133 -0.162 -7.300 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.681 2.008 -5.465 1.00 0.00 H new ATOM 0 HB ILE A 32 1.115 -0.186 -6.576 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.003 0.149 -3.779 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.842 -0.753 -5.025 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.711 0.460 -4.814 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.453 1.777 -5.983 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.673 1.841 -4.385 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.454 -2.246 -3.584 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.092 -2.273 -5.245 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.944 -1.357 -3.979 1.00 0.00 H new ATOM 461 N LEU A 33 0.806 3.596 -6.721 1.00 0.00 N ATOM 462 CA LEU A 33 1.486 4.614 -7.515 1.00 0.00 C ATOM 463 C LEU A 33 2.889 4.156 -7.901 1.00 0.00 C ATOM 464 O LEU A 33 3.274 4.222 -9.068 1.00 0.00 O ATOM 465 CB LEU A 33 1.562 5.929 -6.738 1.00 0.00 C ATOM 466 CG LEU A 33 0.236 6.661 -6.526 1.00 0.00 C ATOM 467 CD1 LEU A 33 0.392 7.755 -5.480 1.00 0.00 C ATOM 468 CD2 LEU A 33 -0.267 7.243 -7.839 1.00 0.00 C ATOM 0 H LEU A 33 0.635 3.862 -5.751 1.00 0.00 H new ATOM 0 HA LEU A 33 0.911 4.772 -8.428 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.002 5.726 -5.762 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.244 6.599 -7.262 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.500 5.943 -6.164 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.561 8.265 -5.342 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.707 7.313 -4.535 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.143 8.472 -5.813 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.211 7.760 -7.670 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.467 7.947 -8.230 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.418 6.439 -8.559 1.00 0.00 H new ATOM 480 N GLN A 34 3.646 3.690 -6.913 1.00 0.00 N ATOM 481 CA GLN A 34 5.006 3.219 -7.150 1.00 0.00 C ATOM 482 C GLN A 34 5.428 2.215 -6.083 1.00 0.00 C ATOM 483 O GLN A 34 4.825 2.139 -5.012 1.00 0.00 O ATOM 484 CB GLN A 34 5.980 4.399 -7.172 1.00 0.00 C ATOM 485 CG GLN A 34 6.129 5.089 -5.826 1.00 0.00 C ATOM 486 CD GLN A 34 7.258 6.101 -5.811 1.00 0.00 C ATOM 487 OE1 GLN A 34 8.304 5.890 -6.424 1.00 0.00 O ATOM 488 NE2 GLN A 34 7.051 7.209 -5.108 1.00 0.00 N ATOM 0 H GLN A 34 3.341 3.628 -5.942 1.00 0.00 H new ATOM 0 HA GLN A 34 5.028 2.721 -8.119 1.00 0.00 H new ATOM 0 HB2 GLN A 34 6.958 4.046 -7.501 1.00 0.00 H new ATOM 0 HB3 GLN A 34 5.640 5.127 -7.909 1.00 0.00 H new ATOM 0 HG2 GLN A 34 5.194 5.589 -5.573 1.00 0.00 H new ATOM 0 HG3 GLN A 34 6.308 4.339 -5.055 1.00 0.00 H new ATOM 0 HE21 GLN A 34 6.168 7.343 -4.615 1.00 0.00 H new ATOM 0 HE22 GLN A 34 7.775 7.926 -5.061 1.00 0.00 H new ATOM 497 N THR A 35 6.470 1.445 -6.382 1.00 0.00 N ATOM 498 CA THR A 35 6.972 0.444 -5.449 1.00 0.00 C ATOM 499 C THR A 35 6.874 0.935 -4.010 1.00 0.00 C ATOM 500 O THR A 35 7.192 2.083 -3.697 1.00 0.00 O ATOM 501 CB THR A 35 8.436 0.076 -5.755 1.00 0.00 C ATOM 502 OG1 THR A 35 8.558 -0.362 -7.113 1.00 0.00 O ATOM 503 CG2 THR A 35 8.927 -1.018 -4.819 1.00 0.00 C ATOM 0 H THR A 35 6.982 1.496 -7.263 1.00 0.00 H new ATOM 0 HA THR A 35 6.349 -0.442 -5.571 1.00 0.00 H new ATOM 0 HB THR A 35 9.049 0.964 -5.603 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.492 -0.592 -7.300 1.00 0.00 H new ATOM 0 HG21 THR A 35 9.963 -1.261 -5.055 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.861 -0.671 -3.788 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.309 -1.907 -4.943 1.00 0.00 H new ATOM 511 N PRO A 36 6.424 0.048 -3.110 1.00 0.00 N ATOM 512 CA PRO A 36 6.275 0.369 -1.687 1.00 0.00 C ATOM 513 C PRO A 36 7.619 0.544 -0.989 1.00 0.00 C ATOM 514 O PRO A 36 8.621 -0.046 -1.391 1.00 0.00 O ATOM 515 CB PRO A 36 5.534 -0.846 -1.125 1.00 0.00 C ATOM 516 CG PRO A 36 5.877 -1.961 -2.052 1.00 0.00 C ATOM 517 CD PRO A 36 6.027 -1.338 -3.412 1.00 0.00 C ATOM 0 HA PRO A 36 5.751 1.312 -1.534 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.851 -1.067 -0.106 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.458 -0.674 -1.094 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.799 -2.454 -1.745 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.095 -2.721 -2.055 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.781 -1.851 -4.008 1.00 0.00 H new ATOM 0 HD3 PRO A 36 5.095 -1.375 -3.976 1.00 0.00 H new ATOM 525 N LYS A 37 7.633 1.358 0.061 1.00 0.00 N ATOM 526 CA LYS A 37 8.853 1.610 0.819 1.00 0.00 C ATOM 527 C LYS A 37 8.850 0.832 2.131 1.00 0.00 C ATOM 528 O LYS A 37 7.842 0.794 2.837 1.00 0.00 O ATOM 529 CB LYS A 37 9.003 3.106 1.101 1.00 0.00 C ATOM 530 CG LYS A 37 9.755 3.858 0.016 1.00 0.00 C ATOM 531 CD LYS A 37 11.252 3.612 0.103 1.00 0.00 C ATOM 532 CE LYS A 37 11.893 4.453 1.196 1.00 0.00 C ATOM 533 NZ LYS A 37 13.335 4.128 1.372 1.00 0.00 N ATOM 0 H LYS A 37 6.812 1.855 0.407 1.00 0.00 H new ATOM 0 HA LYS A 37 9.699 1.273 0.220 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.013 3.546 1.217 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.523 3.238 2.050 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.390 3.547 -0.963 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.555 4.926 0.106 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.437 2.556 0.299 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.716 3.844 -0.855 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.786 5.510 0.951 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.366 4.289 2.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.735 4.722 2.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.436 3.126 1.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.843 4.309 0.482 1.00 0.00 H new ATOM 547 N ILE A 38 9.982 0.215 2.451 1.00 0.00 N ATOM 548 CA ILE A 38 10.109 -0.559 3.679 1.00 0.00 C ATOM 549 C ILE A 38 11.245 -0.029 4.548 1.00 0.00 C ATOM 550 O ILE A 38 12.339 0.248 4.056 1.00 0.00 O ATOM 551 CB ILE A 38 10.358 -2.050 3.382 1.00 0.00 C ATOM 552 CG1 ILE A 38 9.179 -2.641 2.606 1.00 0.00 C ATOM 553 CG2 ILE A 38 10.585 -2.817 4.676 1.00 0.00 C ATOM 554 CD1 ILE A 38 9.452 -4.021 2.051 1.00 0.00 C ATOM 0 H ILE A 38 10.825 0.236 1.877 1.00 0.00 H new ATOM 0 HA ILE A 38 9.166 -0.456 4.215 1.00 0.00 H new ATOM 0 HB ILE A 38 11.254 -2.139 2.768 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.310 -2.687 3.262 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.923 -1.972 1.784 1.00 0.00 H new ATOM 0 HG21 ILE A 38 10.759 -3.869 4.450 1.00 0.00 H new ATOM 0 HG22 ILE A 38 11.453 -2.408 5.194 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.705 -2.724 5.313 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.573 -4.377 1.513 1.00 0.00 H new ATOM 0 HD12 ILE A 38 10.301 -3.978 1.369 1.00 0.00 H new ATOM 0 HD13 ILE A 38 9.678 -4.704 2.870 1.00 0.00 H new ATOM 566 N MET A 39 10.978 0.107 5.843 1.00 0.00 N ATOM 567 CA MET A 39 11.980 0.600 6.781 1.00 0.00 C ATOM 568 C MET A 39 12.974 -0.498 7.143 1.00 0.00 C ATOM 569 O MET A 39 12.587 -1.640 7.392 1.00 0.00 O ATOM 570 CB MET A 39 11.305 1.132 8.047 1.00 0.00 C ATOM 571 CG MET A 39 10.754 2.540 7.897 1.00 0.00 C ATOM 572 SD MET A 39 9.054 2.561 7.298 1.00 0.00 S ATOM 573 CE MET A 39 9.219 3.596 5.846 1.00 0.00 C ATOM 0 H MET A 39 10.077 -0.117 6.266 1.00 0.00 H new ATOM 0 HA MET A 39 12.524 1.412 6.299 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.493 0.461 8.325 1.00 0.00 H new ATOM 0 HB3 MET A 39 12.025 1.118 8.866 1.00 0.00 H new ATOM 0 HG2 MET A 39 10.802 3.049 8.860 1.00 0.00 H new ATOM 0 HG3 MET A 39 11.385 3.101 7.208 1.00 0.00 H new ATOM 0 HE1 MET A 39 8.489 3.290 5.096 1.00 0.00 H new ATOM 0 HE2 MET A 39 9.044 4.637 6.119 1.00 0.00 H new ATOM 0 HE3 MET A 39 10.224 3.492 5.438 1.00 0.00 H new ATOM 583 N ARG A 40 14.255 -0.146 7.170 1.00 0.00 N ATOM 584 CA ARG A 40 15.304 -1.103 7.500 1.00 0.00 C ATOM 585 C ARG A 40 16.254 -0.529 8.547 1.00 0.00 C ATOM 586 O ARG A 40 16.678 0.623 8.449 1.00 0.00 O ATOM 587 CB ARG A 40 16.086 -1.489 6.243 1.00 0.00 C ATOM 588 CG ARG A 40 15.234 -2.159 5.178 1.00 0.00 C ATOM 589 CD ARG A 40 15.108 -3.655 5.425 1.00 0.00 C ATOM 590 NE ARG A 40 16.235 -4.398 4.867 1.00 0.00 N ATOM 591 CZ ARG A 40 16.286 -5.724 4.813 1.00 0.00 C ATOM 592 NH1 ARG A 40 15.279 -6.449 5.280 1.00 0.00 N ATOM 593 NH2 ARG A 40 17.346 -6.328 4.291 1.00 0.00 N ATOM 0 H ARG A 40 14.592 0.795 6.967 1.00 0.00 H new ATOM 0 HA ARG A 40 14.831 -1.994 7.913 1.00 0.00 H new ATOM 0 HB2 ARG A 40 16.543 -0.594 5.821 1.00 0.00 H new ATOM 0 HB3 ARG A 40 16.898 -2.160 6.522 1.00 0.00 H new ATOM 0 HG2 ARG A 40 14.243 -1.706 5.166 1.00 0.00 H new ATOM 0 HG3 ARG A 40 15.675 -1.987 4.196 1.00 0.00 H new ATOM 0 HD2 ARG A 40 15.046 -3.842 6.497 1.00 0.00 H new ATOM 0 HD3 ARG A 40 14.180 -4.019 4.984 1.00 0.00 H new ATOM 0 HE ARG A 40 17.026 -3.870 4.499 1.00 0.00 H new ATOM 0 HH11 ARG A 40 14.462 -5.989 5.682 1.00 0.00 H new ATOM 0 HH12 ARG A 40 15.321 -7.467 5.237 1.00 0.00 H new ATOM 0 HH21 ARG A 40 18.123 -5.774 3.931 1.00 0.00 H new ATOM 0 HH22 ARG A 40 17.384 -7.346 4.250 1.00 0.00 H new ATOM 607 N ASP A 41 16.583 -1.338 9.547 1.00 0.00 N ATOM 608 CA ASP A 41 17.483 -0.911 10.612 1.00 0.00 C ATOM 609 C ASP A 41 18.910 -0.767 10.093 1.00 0.00 C ATOM 610 O ASP A 41 19.462 -1.670 9.465 1.00 0.00 O ATOM 611 CB ASP A 41 17.448 -1.910 11.770 1.00 0.00 C ATOM 612 CG ASP A 41 18.060 -1.348 13.038 1.00 0.00 C ATOM 613 OD1 ASP A 41 19.132 -0.713 12.949 1.00 0.00 O ATOM 614 OD2 ASP A 41 17.467 -1.543 14.120 1.00 0.00 O ATOM 0 H ASP A 41 16.240 -2.294 9.643 1.00 0.00 H new ATOM 0 HA ASP A 41 17.145 0.062 10.970 1.00 0.00 H new ATOM 0 HB2 ASP A 41 16.415 -2.199 11.966 1.00 0.00 H new ATOM 0 HB3 ASP A 41 17.983 -2.815 11.482 1.00 0.00 H new ATOM 619 N PRO A 42 19.522 0.397 10.358 1.00 0.00 N ATOM 620 CA PRO A 42 20.892 0.688 9.925 1.00 0.00 C ATOM 621 C PRO A 42 21.926 -0.141 10.680 1.00 0.00 C ATOM 622 O PRO A 42 22.854 -0.686 10.083 1.00 0.00 O ATOM 623 CB PRO A 42 21.058 2.175 10.249 1.00 0.00 C ATOM 624 CG PRO A 42 20.090 2.433 11.352 1.00 0.00 C ATOM 625 CD PRO A 42 18.923 1.518 11.101 1.00 0.00 C ATOM 0 HA PRO A 42 21.048 0.447 8.873 1.00 0.00 H new ATOM 0 HB2 PRO A 42 22.079 2.401 10.557 1.00 0.00 H new ATOM 0 HB3 PRO A 42 20.842 2.796 9.380 1.00 0.00 H new ATOM 0 HG2 PRO A 42 20.542 2.231 12.323 1.00 0.00 H new ATOM 0 HG3 PRO A 42 19.774 3.476 11.358 1.00 0.00 H new ATOM 0 HD2 PRO A 42 18.466 1.184 12.033 1.00 0.00 H new ATOM 0 HD3 PRO A 42 18.142 2.012 10.523 1.00 0.00 H new ATOM 633 N ASP A 43 21.759 -0.231 11.995 1.00 0.00 N ATOM 634 CA ASP A 43 22.678 -0.995 12.831 1.00 0.00 C ATOM 635 C ASP A 43 22.737 -2.452 12.384 1.00 0.00 C ATOM 636 O ASP A 43 23.772 -2.929 11.917 1.00 0.00 O ATOM 637 CB ASP A 43 22.252 -0.915 14.298 1.00 0.00 C ATOM 638 CG ASP A 43 21.726 0.456 14.675 1.00 0.00 C ATOM 639 OD1 ASP A 43 20.511 0.691 14.506 1.00 0.00 O ATOM 640 OD2 ASP A 43 22.528 1.293 15.137 1.00 0.00 O ATOM 0 H ASP A 43 20.996 0.215 12.505 1.00 0.00 H new ATOM 0 HA ASP A 43 23.672 -0.562 12.725 1.00 0.00 H new ATOM 0 HB2 ASP A 43 21.482 -1.662 14.491 1.00 0.00 H new ATOM 0 HB3 ASP A 43 23.102 -1.162 14.934 1.00 0.00 H new ATOM 645 N THR A 44 21.619 -3.156 12.530 1.00 0.00 N ATOM 646 CA THR A 44 21.543 -4.559 12.143 1.00 0.00 C ATOM 647 C THR A 44 21.417 -4.707 10.631 1.00 0.00 C ATOM 648 O THR A 44 22.373 -5.080 9.952 1.00 0.00 O ATOM 649 CB THR A 44 20.351 -5.264 12.817 1.00 0.00 C ATOM 650 OG1 THR A 44 19.121 -4.693 12.359 1.00 0.00 O ATOM 651 CG2 THR A 44 20.438 -5.146 14.331 1.00 0.00 C ATOM 0 H THR A 44 20.753 -2.777 12.914 1.00 0.00 H new ATOM 0 HA THR A 44 22.469 -5.028 12.475 1.00 0.00 H new ATOM 0 HB THR A 44 20.383 -6.320 12.548 1.00 0.00 H new ATOM 0 HG1 THR A 44 18.368 -5.148 12.791 1.00 0.00 H new ATOM 0 HG21 THR A 44 19.586 -5.651 14.785 1.00 0.00 H new ATOM 0 HG22 THR A 44 21.362 -5.608 14.679 1.00 0.00 H new ATOM 0 HG23 THR A 44 20.429 -4.094 14.615 1.00 0.00 H new ATOM 659 N GLY A 45 20.231 -4.410 10.109 1.00 0.00 N ATOM 660 CA GLY A 45 20.003 -4.516 8.679 1.00 0.00 C ATOM 661 C GLY A 45 18.834 -5.421 8.344 1.00 0.00 C ATOM 662 O GLY A 45 18.961 -6.333 7.528 1.00 0.00 O ATOM 0 H GLY A 45 19.424 -4.098 10.650 1.00 0.00 H new ATOM 0 HA2 GLY A 45 19.819 -3.523 8.269 1.00 0.00 H new ATOM 0 HA3 GLY A 45 20.904 -4.898 8.198 1.00 0.00 H new ATOM 666 N ASN A 46 17.693 -5.170 8.977 1.00 0.00 N ATOM 667 CA ASN A 46 16.497 -5.971 8.744 1.00 0.00 C ATOM 668 C ASN A 46 15.246 -5.098 8.753 1.00 0.00 C ATOM 669 O ASN A 46 15.212 -4.052 9.402 1.00 0.00 O ATOM 670 CB ASN A 46 16.376 -7.067 9.805 1.00 0.00 C ATOM 671 CG ASN A 46 17.652 -7.873 9.952 1.00 0.00 C ATOM 672 OD1 ASN A 46 18.591 -7.453 10.627 1.00 0.00 O ATOM 673 ND2 ASN A 46 17.690 -9.039 9.318 1.00 0.00 N ATOM 0 H ASN A 46 17.571 -4.418 9.655 1.00 0.00 H new ATOM 0 HA ASN A 46 16.587 -6.435 7.762 1.00 0.00 H new ATOM 0 HB2 ASN A 46 16.123 -6.614 10.764 1.00 0.00 H new ATOM 0 HB3 ASN A 46 15.556 -7.735 9.542 1.00 0.00 H new ATOM 0 HD21 ASN A 46 18.522 -9.626 9.380 1.00 0.00 H new ATOM 0 HD22 ASN A 46 16.887 -9.348 8.769 1.00 0.00 H new ATOM 680 N SER A 47 14.220 -5.535 8.030 1.00 0.00 N ATOM 681 CA SER A 47 12.968 -4.791 7.953 1.00 0.00 C ATOM 682 C SER A 47 12.501 -4.368 9.342 1.00 0.00 C ATOM 683 O SER A 47 12.042 -5.191 10.134 1.00 0.00 O ATOM 684 CB SER A 47 11.889 -5.638 7.276 1.00 0.00 C ATOM 685 OG SER A 47 10.642 -4.964 7.267 1.00 0.00 O ATOM 0 H SER A 47 14.231 -6.400 7.489 1.00 0.00 H new ATOM 0 HA SER A 47 13.143 -3.894 7.359 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.190 -5.866 6.254 1.00 0.00 H new ATOM 0 HB3 SER A 47 11.788 -6.589 7.798 1.00 0.00 H new ATOM 0 HG SER A 47 9.970 -5.526 6.828 1.00 0.00 H new ATOM 691 N LYS A 48 12.621 -3.077 9.632 1.00 0.00 N ATOM 692 CA LYS A 48 12.211 -2.540 10.924 1.00 0.00 C ATOM 693 C LYS A 48 10.935 -3.218 11.414 1.00 0.00 C ATOM 694 O LYS A 48 10.825 -3.585 12.583 1.00 0.00 O ATOM 695 CB LYS A 48 11.993 -1.029 10.826 1.00 0.00 C ATOM 696 CG LYS A 48 13.240 -0.214 11.123 1.00 0.00 C ATOM 697 CD LYS A 48 13.355 0.110 12.603 1.00 0.00 C ATOM 698 CE LYS A 48 14.276 1.296 12.845 1.00 0.00 C ATOM 699 NZ LYS A 48 15.699 0.875 12.973 1.00 0.00 N ATOM 0 H LYS A 48 13.000 -2.382 8.988 1.00 0.00 H new ATOM 0 HA LYS A 48 13.007 -2.740 11.642 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.640 -0.786 9.824 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.205 -0.738 11.521 1.00 0.00 H new ATOM 0 HG2 LYS A 48 14.122 -0.767 10.801 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.216 0.712 10.548 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.366 0.328 13.007 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.733 -0.761 13.139 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.179 2.005 12.023 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.968 1.816 13.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.005 0.981 13.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.794 -0.120 12.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 16.293 1.470 12.361 1.00 0.00 H new ATOM 713 N GLY A 49 9.972 -3.381 10.511 1.00 0.00 N ATOM 714 CA GLY A 49 8.717 -4.015 10.871 1.00 0.00 C ATOM 715 C GLY A 49 7.514 -3.267 10.331 1.00 0.00 C ATOM 716 O GLY A 49 6.397 -3.783 10.345 1.00 0.00 O ATOM 0 H GLY A 49 10.039 -3.085 9.537 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.707 -5.036 10.490 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.644 -4.079 11.957 1.00 0.00 H new ATOM 720 N TYR A 50 7.742 -2.048 9.856 1.00 0.00 N ATOM 721 CA TYR A 50 6.667 -1.226 9.314 1.00 0.00 C ATOM 722 C TYR A 50 7.062 -0.634 7.964 1.00 0.00 C ATOM 723 O TYR A 50 8.217 -0.270 7.748 1.00 0.00 O ATOM 724 CB TYR A 50 6.312 -0.104 10.291 1.00 0.00 C ATOM 725 CG TYR A 50 7.515 0.649 10.812 1.00 0.00 C ATOM 726 CD1 TYR A 50 8.282 0.139 11.852 1.00 0.00 C ATOM 727 CD2 TYR A 50 7.885 1.871 10.263 1.00 0.00 C ATOM 728 CE1 TYR A 50 9.381 0.824 12.331 1.00 0.00 C ATOM 729 CE2 TYR A 50 8.984 2.562 10.735 1.00 0.00 C ATOM 730 CZ TYR A 50 9.729 2.035 11.769 1.00 0.00 C ATOM 731 OH TYR A 50 10.824 2.720 12.243 1.00 0.00 O ATOM 0 H TYR A 50 8.662 -1.607 9.835 1.00 0.00 H new ATOM 0 HA TYR A 50 5.794 -1.863 9.170 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.641 0.598 9.796 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.766 -0.527 11.134 1.00 0.00 H new ATOM 0 HD1 TYR A 50 8.014 -0.810 12.293 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.303 2.287 9.454 1.00 0.00 H new ATOM 0 HE1 TYR A 50 9.965 0.414 13.141 1.00 0.00 H new ATOM 0 HE2 TYR A 50 9.258 3.510 10.297 1.00 0.00 H new ATOM 0 HH TYR A 50 10.932 3.553 11.739 1.00 0.00 H new ATOM 741 N ALA A 51 6.092 -0.541 7.060 1.00 0.00 N ATOM 742 CA ALA A 51 6.336 0.009 5.732 1.00 0.00 C ATOM 743 C ALA A 51 5.280 1.047 5.365 1.00 0.00 C ATOM 744 O ALA A 51 4.258 1.172 6.040 1.00 0.00 O ATOM 745 CB ALA A 51 6.366 -1.105 4.697 1.00 0.00 C ATOM 0 H ALA A 51 5.130 -0.839 7.223 1.00 0.00 H new ATOM 0 HA ALA A 51 7.307 0.505 5.744 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.549 -0.680 3.710 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.162 -1.808 4.942 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.409 -1.626 4.696 1.00 0.00 H new ATOM 751 N PHE A 52 5.534 1.788 4.292 1.00 0.00 N ATOM 752 CA PHE A 52 4.606 2.817 3.837 1.00 0.00 C ATOM 753 C PHE A 52 4.244 2.610 2.369 1.00 0.00 C ATOM 754 O PHE A 52 5.117 2.396 1.527 1.00 0.00 O ATOM 755 CB PHE A 52 5.215 4.207 4.033 1.00 0.00 C ATOM 756 CG PHE A 52 5.201 4.671 5.461 1.00 0.00 C ATOM 757 CD1 PHE A 52 5.954 4.018 6.423 1.00 0.00 C ATOM 758 CD2 PHE A 52 4.435 5.761 5.841 1.00 0.00 C ATOM 759 CE1 PHE A 52 5.943 4.443 7.738 1.00 0.00 C ATOM 760 CE2 PHE A 52 4.420 6.191 7.155 1.00 0.00 C ATOM 761 CZ PHE A 52 5.175 5.532 8.104 1.00 0.00 C ATOM 0 H PHE A 52 6.374 1.695 3.721 1.00 0.00 H new ATOM 0 HA PHE A 52 3.696 2.740 4.433 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.243 4.199 3.672 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.668 4.924 3.421 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.557 3.167 6.142 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.843 6.281 5.102 1.00 0.00 H new ATOM 0 HE1 PHE A 52 6.534 3.925 8.479 1.00 0.00 H new ATOM 0 HE2 PHE A 52 3.818 7.042 7.439 1.00 0.00 H new ATOM 0 HZ PHE A 52 5.166 5.867 9.131 1.00 0.00 H new ATOM 771 N ILE A 53 2.951 2.675 2.070 1.00 0.00 N ATOM 772 CA ILE A 53 2.472 2.496 0.705 1.00 0.00 C ATOM 773 C ILE A 53 1.494 3.599 0.316 1.00 0.00 C ATOM 774 O ILE A 53 0.623 3.975 1.099 1.00 0.00 O ATOM 775 CB ILE A 53 1.786 1.129 0.524 1.00 0.00 C ATOM 776 CG1 ILE A 53 2.676 0.011 1.070 1.00 0.00 C ATOM 777 CG2 ILE A 53 1.464 0.889 -0.944 1.00 0.00 C ATOM 778 CD1 ILE A 53 2.091 -1.372 0.883 1.00 0.00 C ATOM 0 H ILE A 53 2.216 2.850 2.755 1.00 0.00 H new ATOM 0 HA ILE A 53 3.346 2.544 0.055 1.00 0.00 H new ATOM 0 HB ILE A 53 0.852 1.130 1.085 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.647 0.056 0.576 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.851 0.182 2.132 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.980 -0.081 -1.056 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.796 1.672 -1.303 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.386 0.904 -1.526 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.775 -2.115 1.293 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.134 -1.435 1.401 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.942 -1.563 -0.180 1.00 0.00 H new ATOM 790 N ASN A 54 1.644 4.113 -0.901 1.00 0.00 N ATOM 791 CA ASN A 54 0.773 5.173 -1.395 1.00 0.00 C ATOM 792 C ASN A 54 -0.073 4.681 -2.565 1.00 0.00 C ATOM 793 O ASN A 54 0.451 4.355 -3.630 1.00 0.00 O ATOM 794 CB ASN A 54 1.602 6.385 -1.825 1.00 0.00 C ATOM 795 CG ASN A 54 1.914 7.313 -0.667 1.00 0.00 C ATOM 796 OD1 ASN A 54 2.875 7.099 0.073 1.00 0.00 O ATOM 797 ND2 ASN A 54 1.101 8.350 -0.505 1.00 0.00 N ATOM 0 H ASN A 54 2.360 3.813 -1.562 1.00 0.00 H new ATOM 0 HA ASN A 54 0.105 5.467 -0.585 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.534 6.043 -2.274 1.00 0.00 H new ATOM 0 HB3 ASN A 54 1.061 6.937 -2.594 1.00 0.00 H new ATOM 0 HD21 ASN A 54 1.260 9.009 0.257 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.317 8.488 -1.143 1.00 0.00 H new ATOM 804 N PHE A 55 -1.385 4.629 -2.359 1.00 0.00 N ATOM 805 CA PHE A 55 -2.305 4.176 -3.396 1.00 0.00 C ATOM 806 C PHE A 55 -2.570 5.285 -4.410 1.00 0.00 C ATOM 807 O PHE A 55 -2.265 6.452 -4.164 1.00 0.00 O ATOM 808 CB PHE A 55 -3.623 3.714 -2.772 1.00 0.00 C ATOM 809 CG PHE A 55 -3.609 2.277 -2.337 1.00 0.00 C ATOM 810 CD1 PHE A 55 -3.784 1.258 -3.260 1.00 0.00 C ATOM 811 CD2 PHE A 55 -3.420 1.944 -1.005 1.00 0.00 C ATOM 812 CE1 PHE A 55 -3.772 -0.066 -2.863 1.00 0.00 C ATOM 813 CE2 PHE A 55 -3.406 0.622 -0.602 1.00 0.00 C ATOM 814 CZ PHE A 55 -3.583 -0.384 -1.532 1.00 0.00 C ATOM 0 H PHE A 55 -1.835 4.895 -1.483 1.00 0.00 H new ATOM 0 HA PHE A 55 -1.843 3.336 -3.915 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.849 4.344 -1.911 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.428 3.859 -3.493 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.932 1.501 -4.302 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -3.282 2.727 -0.274 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.910 -0.851 -3.592 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.257 0.376 0.439 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.574 -1.418 -1.219 1.00 0.00 H new ATOM 824 N ALA A 56 -3.140 4.912 -5.551 1.00 0.00 N ATOM 825 CA ALA A 56 -3.448 5.874 -6.602 1.00 0.00 C ATOM 826 C ALA A 56 -4.858 6.431 -6.440 1.00 0.00 C ATOM 827 O ALA A 56 -5.181 7.493 -6.972 1.00 0.00 O ATOM 828 CB ALA A 56 -3.287 5.229 -7.971 1.00 0.00 C ATOM 0 H ALA A 56 -3.398 3.950 -5.771 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.746 6.704 -6.518 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.520 5.959 -8.747 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.260 4.886 -8.093 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.966 4.380 -8.055 1.00 0.00 H new ATOM 834 N SER A 57 -5.694 5.707 -5.703 1.00 0.00 N ATOM 835 CA SER A 57 -7.072 6.128 -5.475 1.00 0.00 C ATOM 836 C SER A 57 -7.441 6.001 -4.000 1.00 0.00 C ATOM 837 O SER A 57 -7.180 4.976 -3.369 1.00 0.00 O ATOM 838 CB SER A 57 -8.030 5.292 -6.326 1.00 0.00 C ATOM 839 OG SER A 57 -9.242 5.988 -6.561 1.00 0.00 O ATOM 0 H SER A 57 -5.442 4.827 -5.254 1.00 0.00 H new ATOM 0 HA SER A 57 -7.159 7.175 -5.765 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.557 5.047 -7.277 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.240 4.349 -5.822 1.00 0.00 H new ATOM 0 HG SER A 57 -9.837 5.434 -7.108 1.00 0.00 H new ATOM 845 N PHE A 58 -8.051 7.049 -3.457 1.00 0.00 N ATOM 846 CA PHE A 58 -8.456 7.057 -2.056 1.00 0.00 C ATOM 847 C PHE A 58 -9.240 5.794 -1.710 1.00 0.00 C ATOM 848 O PHE A 58 -9.135 5.270 -0.600 1.00 0.00 O ATOM 849 CB PHE A 58 -9.303 8.295 -1.755 1.00 0.00 C ATOM 850 CG PHE A 58 -9.375 8.631 -0.293 1.00 0.00 C ATOM 851 CD1 PHE A 58 -8.220 8.875 0.433 1.00 0.00 C ATOM 852 CD2 PHE A 58 -10.597 8.704 0.356 1.00 0.00 C ATOM 853 CE1 PHE A 58 -8.283 9.184 1.778 1.00 0.00 C ATOM 854 CE2 PHE A 58 -10.666 9.013 1.701 1.00 0.00 C ATOM 855 CZ PHE A 58 -9.507 9.254 2.413 1.00 0.00 C ATOM 0 H PHE A 58 -8.276 7.904 -3.966 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.555 7.084 -1.443 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.891 9.147 -2.296 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -10.313 8.135 -2.133 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.260 8.823 -0.058 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -11.506 8.517 -0.196 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.375 9.371 2.333 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -11.625 9.066 2.195 1.00 0.00 H new ATOM 0 HZ PHE A 58 -9.558 9.497 3.464 1.00 0.00 H new ATOM 865 N ASP A 59 -10.025 5.311 -2.666 1.00 0.00 N ATOM 866 CA ASP A 59 -10.827 4.110 -2.464 1.00 0.00 C ATOM 867 C ASP A 59 -9.952 2.942 -2.020 1.00 0.00 C ATOM 868 O ASP A 59 -10.310 2.198 -1.107 1.00 0.00 O ATOM 869 CB ASP A 59 -11.571 3.746 -3.749 1.00 0.00 C ATOM 870 CG ASP A 59 -12.227 2.381 -3.672 1.00 0.00 C ATOM 871 OD1 ASP A 59 -11.493 1.371 -3.659 1.00 0.00 O ATOM 872 OD2 ASP A 59 -13.474 2.323 -3.625 1.00 0.00 O ATOM 0 H ASP A 59 -10.123 5.733 -3.589 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.554 4.316 -1.679 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.331 4.500 -3.951 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.874 3.764 -4.587 1.00 0.00 H new ATOM 877 N ALA A 60 -8.805 2.786 -2.672 1.00 0.00 N ATOM 878 CA ALA A 60 -7.879 1.709 -2.343 1.00 0.00 C ATOM 879 C ALA A 60 -7.475 1.761 -0.874 1.00 0.00 C ATOM 880 O ALA A 60 -7.184 0.733 -0.263 1.00 0.00 O ATOM 881 CB ALA A 60 -6.647 1.782 -3.234 1.00 0.00 C ATOM 0 H ALA A 60 -8.494 3.392 -3.431 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.387 0.761 -2.519 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.964 0.972 -2.978 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -6.947 1.687 -4.278 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.147 2.739 -3.086 1.00 0.00 H new ATOM 887 N SER A 61 -7.460 2.966 -0.312 1.00 0.00 N ATOM 888 CA SER A 61 -7.087 3.152 1.086 1.00 0.00 C ATOM 889 C SER A 61 -8.219 2.718 2.012 1.00 0.00 C ATOM 890 O SER A 61 -7.986 2.074 3.036 1.00 0.00 O ATOM 891 CB SER A 61 -6.731 4.616 1.350 1.00 0.00 C ATOM 892 OG SER A 61 -5.928 5.142 0.307 1.00 0.00 O ATOM 0 H SER A 61 -7.701 3.827 -0.803 1.00 0.00 H new ATOM 0 HA SER A 61 -6.215 2.531 1.290 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.644 5.204 1.442 1.00 0.00 H new ATOM 0 HB3 SER A 61 -6.201 4.699 2.299 1.00 0.00 H new ATOM 0 HG SER A 61 -5.716 6.079 0.499 1.00 0.00 H new ATOM 898 N ASP A 62 -9.445 3.074 1.645 1.00 0.00 N ATOM 899 CA ASP A 62 -10.614 2.721 2.442 1.00 0.00 C ATOM 900 C ASP A 62 -10.791 1.207 2.507 1.00 0.00 C ATOM 901 O ASP A 62 -10.846 0.625 3.589 1.00 0.00 O ATOM 902 CB ASP A 62 -11.871 3.369 1.857 1.00 0.00 C ATOM 903 CG ASP A 62 -12.566 2.476 0.849 1.00 0.00 C ATOM 904 OD1 ASP A 62 -13.164 1.463 1.267 1.00 0.00 O ATOM 905 OD2 ASP A 62 -12.512 2.790 -0.359 1.00 0.00 O ATOM 0 H ASP A 62 -9.655 3.607 0.801 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.459 3.094 3.454 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -12.563 3.608 2.665 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -11.602 4.311 1.379 1.00 0.00 H new ATOM 910 N ALA A 63 -10.879 0.576 1.340 1.00 0.00 N ATOM 911 CA ALA A 63 -11.048 -0.870 1.265 1.00 0.00 C ATOM 912 C ALA A 63 -10.045 -1.587 2.162 1.00 0.00 C ATOM 913 O ALA A 63 -10.417 -2.448 2.960 1.00 0.00 O ATOM 914 CB ALA A 63 -10.904 -1.343 -0.174 1.00 0.00 C ATOM 0 H ALA A 63 -10.836 1.043 0.434 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.050 -1.113 1.618 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.032 -2.425 -0.216 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.663 -0.863 -0.792 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.914 -1.080 -0.546 1.00 0.00 H new ATOM 920 N ALA A 64 -8.773 -1.228 2.026 1.00 0.00 N ATOM 921 CA ALA A 64 -7.718 -1.837 2.826 1.00 0.00 C ATOM 922 C ALA A 64 -7.951 -1.601 4.314 1.00 0.00 C ATOM 923 O ALA A 64 -8.253 -2.533 5.060 1.00 0.00 O ATOM 924 CB ALA A 64 -6.359 -1.292 2.410 1.00 0.00 C ATOM 0 H ALA A 64 -8.448 -0.518 1.369 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.737 -2.912 2.648 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.580 -1.755 3.016 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.183 -1.517 1.358 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.339 -0.212 2.558 1.00 0.00 H new ATOM 930 N ILE A 65 -7.810 -0.350 4.740 1.00 0.00 N ATOM 931 CA ILE A 65 -8.006 0.007 6.139 1.00 0.00 C ATOM 932 C ILE A 65 -9.216 -0.711 6.725 1.00 0.00 C ATOM 933 O ILE A 65 -9.258 -1.004 7.920 1.00 0.00 O ATOM 934 CB ILE A 65 -8.191 1.526 6.312 1.00 0.00 C ATOM 935 CG1 ILE A 65 -6.937 2.271 5.848 1.00 0.00 C ATOM 936 CG2 ILE A 65 -8.506 1.860 7.762 1.00 0.00 C ATOM 937 CD1 ILE A 65 -7.160 3.750 5.626 1.00 0.00 C ATOM 0 H ILE A 65 -7.561 0.433 4.136 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.108 -0.304 6.673 1.00 0.00 H new ATOM 0 HB ILE A 65 -9.031 1.847 5.695 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.150 2.138 6.590 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.580 1.823 4.921 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -8.634 2.937 7.868 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -9.424 1.355 8.061 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.686 1.528 8.398 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.229 4.213 5.299 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -7.924 3.892 4.862 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.487 4.212 6.557 1.00 0.00 H new ATOM 949 N GLU A 66 -10.199 -0.994 5.876 1.00 0.00 N ATOM 950 CA GLU A 66 -11.410 -1.680 6.310 1.00 0.00 C ATOM 951 C GLU A 66 -11.146 -3.167 6.527 1.00 0.00 C ATOM 952 O GLU A 66 -11.460 -3.717 7.582 1.00 0.00 O ATOM 953 CB GLU A 66 -12.526 -1.494 5.280 1.00 0.00 C ATOM 954 CG GLU A 66 -13.903 -1.869 5.800 1.00 0.00 C ATOM 955 CD GLU A 66 -14.384 -0.942 6.899 1.00 0.00 C ATOM 956 OE1 GLU A 66 -14.574 0.261 6.621 1.00 0.00 O ATOM 957 OE2 GLU A 66 -14.572 -1.420 8.038 1.00 0.00 O ATOM 0 H GLU A 66 -10.180 -0.759 4.884 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.724 -1.243 7.258 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.540 -0.453 4.956 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.302 -2.098 4.401 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.616 -1.850 4.976 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.879 -2.891 6.177 1.00 0.00 H new ATOM 964 N ALA A 67 -10.566 -3.812 5.520 1.00 0.00 N ATOM 965 CA ALA A 67 -10.258 -5.234 5.600 1.00 0.00 C ATOM 966 C ALA A 67 -8.808 -5.459 6.016 1.00 0.00 C ATOM 967 O ALA A 67 -8.537 -6.070 7.049 1.00 0.00 O ATOM 968 CB ALA A 67 -10.537 -5.910 4.266 1.00 0.00 C ATOM 0 H ALA A 67 -10.300 -3.372 4.639 1.00 0.00 H new ATOM 0 HA ALA A 67 -10.900 -5.677 6.361 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -10.303 -6.972 4.340 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -11.589 -5.788 4.009 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.919 -5.455 3.491 1.00 0.00 H new ATOM 974 N MET A 68 -7.880 -4.962 5.205 1.00 0.00 N ATOM 975 CA MET A 68 -6.458 -5.109 5.491 1.00 0.00 C ATOM 976 C MET A 68 -6.178 -4.905 6.976 1.00 0.00 C ATOM 977 O MET A 68 -5.396 -5.641 7.576 1.00 0.00 O ATOM 978 CB MET A 68 -5.644 -4.110 4.665 1.00 0.00 C ATOM 979 CG MET A 68 -5.255 -4.633 3.291 1.00 0.00 C ATOM 980 SD MET A 68 -3.680 -5.510 3.302 1.00 0.00 S ATOM 981 CE MET A 68 -4.238 -7.209 3.191 1.00 0.00 C ATOM 0 H MET A 68 -8.087 -4.454 4.345 1.00 0.00 H new ATOM 0 HA MET A 68 -6.161 -6.122 5.219 1.00 0.00 H new ATOM 0 HB2 MET A 68 -6.222 -3.193 4.546 1.00 0.00 H new ATOM 0 HB3 MET A 68 -4.740 -3.848 5.215 1.00 0.00 H new ATOM 0 HG2 MET A 68 -6.036 -5.301 2.926 1.00 0.00 H new ATOM 0 HG3 MET A 68 -5.197 -3.799 2.592 1.00 0.00 H new ATOM 0 HE1 MET A 68 -3.488 -7.805 2.672 1.00 0.00 H new ATOM 0 HE2 MET A 68 -4.389 -7.609 4.194 1.00 0.00 H new ATOM 0 HE3 MET A 68 -5.177 -7.248 2.640 1.00 0.00 H new ATOM 991 N ASN A 69 -6.821 -3.901 7.563 1.00 0.00 N ATOM 992 CA ASN A 69 -6.640 -3.600 8.978 1.00 0.00 C ATOM 993 C ASN A 69 -6.966 -4.816 9.839 1.00 0.00 C ATOM 994 O ASN A 69 -8.127 -5.071 10.158 1.00 0.00 O ATOM 995 CB ASN A 69 -7.523 -2.420 9.388 1.00 0.00 C ATOM 996 CG ASN A 69 -7.350 -2.046 10.847 1.00 0.00 C ATOM 997 OD1 ASN A 69 -7.119 -2.907 11.697 1.00 0.00 O ATOM 998 ND2 ASN A 69 -7.460 -0.757 11.145 1.00 0.00 N ATOM 0 H ASN A 69 -7.472 -3.282 7.080 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.595 -3.335 9.136 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.285 -1.558 8.764 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.567 -2.670 9.201 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -7.352 -0.446 12.110 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.652 -0.078 10.409 1.00 0.00 H new ATOM 1005 N GLY A 70 -5.933 -5.565 10.213 1.00 0.00 N ATOM 1006 CA GLY A 70 -6.130 -6.745 11.034 1.00 0.00 C ATOM 1007 C GLY A 70 -5.872 -8.030 10.273 1.00 0.00 C ATOM 1008 O GLY A 70 -5.674 -9.086 10.874 1.00 0.00 O ATOM 0 H GLY A 70 -4.963 -5.375 9.962 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.466 -6.698 11.897 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.151 -6.752 11.417 1.00 0.00 H new ATOM 1012 N GLN A 71 -5.877 -7.942 8.947 1.00 0.00 N ATOM 1013 CA GLN A 71 -5.644 -9.108 8.103 1.00 0.00 C ATOM 1014 C GLN A 71 -4.440 -9.905 8.596 1.00 0.00 C ATOM 1015 O GLN A 71 -3.391 -9.338 8.903 1.00 0.00 O ATOM 1016 CB GLN A 71 -5.426 -8.678 6.651 1.00 0.00 C ATOM 1017 CG GLN A 71 -6.713 -8.568 5.849 1.00 0.00 C ATOM 1018 CD GLN A 71 -7.548 -9.832 5.910 1.00 0.00 C ATOM 1019 OE1 GLN A 71 -7.326 -10.774 5.149 1.00 0.00 O ATOM 1020 NE2 GLN A 71 -8.516 -9.859 6.819 1.00 0.00 N ATOM 0 H GLN A 71 -6.040 -7.076 8.434 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.526 -9.746 8.157 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.917 -7.714 6.639 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -4.764 -9.394 6.164 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.301 -7.730 6.225 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.471 -8.347 4.809 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.665 -9.056 7.429 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.110 -10.683 6.907 1.00 0.00 H new ATOM 1029 N TYR A 72 -4.599 -11.222 8.670 1.00 0.00 N ATOM 1030 CA TYR A 72 -3.526 -12.096 9.128 1.00 0.00 C ATOM 1031 C TYR A 72 -2.537 -12.381 8.003 1.00 0.00 C ATOM 1032 O TYR A 72 -2.759 -13.263 7.172 1.00 0.00 O ATOM 1033 CB TYR A 72 -4.103 -13.410 9.659 1.00 0.00 C ATOM 1034 CG TYR A 72 -3.300 -14.009 10.792 1.00 0.00 C ATOM 1035 CD1 TYR A 72 -3.395 -13.500 12.082 1.00 0.00 C ATOM 1036 CD2 TYR A 72 -2.447 -15.083 10.573 1.00 0.00 C ATOM 1037 CE1 TYR A 72 -2.663 -14.044 13.120 1.00 0.00 C ATOM 1038 CE2 TYR A 72 -1.713 -15.634 11.605 1.00 0.00 C ATOM 1039 CZ TYR A 72 -1.824 -15.111 12.877 1.00 0.00 C ATOM 1040 OH TYR A 72 -1.093 -15.656 13.907 1.00 0.00 O ATOM 0 H TYR A 72 -5.460 -11.707 8.419 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.996 -11.587 9.933 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -5.124 -13.238 10.000 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.157 -14.130 8.842 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.052 -12.665 12.276 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -2.356 -15.494 9.579 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.748 -13.636 14.116 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -1.055 -16.470 11.417 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.554 -16.400 13.567 1.00 0.00 H new ATOM 1050 N LEU A 73 -1.443 -11.628 7.981 1.00 0.00 N ATOM 1051 CA LEU A 73 -0.416 -11.798 6.959 1.00 0.00 C ATOM 1052 C LEU A 73 0.588 -12.870 7.368 1.00 0.00 C ATOM 1053 O LEU A 73 0.535 -13.391 8.483 1.00 0.00 O ATOM 1054 CB LEU A 73 0.308 -10.473 6.710 1.00 0.00 C ATOM 1055 CG LEU A 73 1.047 -10.353 5.377 1.00 0.00 C ATOM 1056 CD1 LEU A 73 0.190 -10.887 4.241 1.00 0.00 C ATOM 1057 CD2 LEU A 73 1.442 -8.907 5.115 1.00 0.00 C ATOM 0 H LEU A 73 -1.244 -10.893 8.660 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.904 -12.117 6.038 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.422 -9.666 6.772 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.025 -10.317 7.516 1.00 0.00 H new ATOM 0 HG LEU A 73 1.955 -10.953 5.432 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.733 -10.793 3.300 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.042 -11.936 4.423 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.736 -10.315 4.184 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.967 -8.840 4.162 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.547 -8.286 5.081 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.095 -8.558 5.914 1.00 0.00 H new ATOM 1069 N CYS A 74 1.502 -13.195 6.460 1.00 0.00 N ATOM 1070 CA CYS A 74 2.519 -14.205 6.727 1.00 0.00 C ATOM 1071 C CYS A 74 2.896 -14.221 8.205 1.00 0.00 C ATOM 1072 O CYS A 74 3.802 -13.507 8.632 1.00 0.00 O ATOM 1073 CB CYS A 74 3.762 -13.945 5.875 1.00 0.00 C ATOM 1074 SG CYS A 74 3.612 -14.503 4.161 1.00 0.00 S ATOM 0 H CYS A 74 1.559 -12.774 5.533 1.00 0.00 H new ATOM 0 HA CYS A 74 2.105 -15.179 6.466 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.976 -12.876 5.881 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.615 -14.443 6.335 1.00 0.00 H new ATOM 0 HG CYS A 74 4.712 -14.238 3.520 1.00 0.00 H new ATOM 1080 N ASN A 75 2.192 -15.038 8.981 1.00 0.00 N ATOM 1081 CA ASN A 75 2.450 -15.145 10.412 1.00 0.00 C ATOM 1082 C ASN A 75 2.746 -13.775 11.015 1.00 0.00 C ATOM 1083 O ASN A 75 3.716 -13.607 11.755 1.00 0.00 O ATOM 1084 CB ASN A 75 3.624 -16.092 10.671 1.00 0.00 C ATOM 1085 CG ASN A 75 3.318 -17.519 10.257 1.00 0.00 C ATOM 1086 OD1 ASN A 75 2.377 -17.770 9.504 1.00 0.00 O ATOM 1087 ND2 ASN A 75 4.113 -18.461 10.750 1.00 0.00 N ATOM 0 H ASN A 75 1.438 -15.636 8.643 1.00 0.00 H new ATOM 0 HA ASN A 75 1.556 -15.547 10.888 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.499 -15.738 10.126 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.878 -16.070 11.731 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.956 -19.439 10.508 1.00 0.00 H new ATOM 0 HD22 ASN A 75 4.881 -18.206 11.371 1.00 0.00 H new ATOM 1094 N ARG A 76 1.903 -12.799 10.694 1.00 0.00 N ATOM 1095 CA ARG A 76 2.074 -11.444 11.204 1.00 0.00 C ATOM 1096 C ARG A 76 0.860 -10.581 10.870 1.00 0.00 C ATOM 1097 O ARG A 76 0.650 -10.179 9.726 1.00 0.00 O ATOM 1098 CB ARG A 76 3.338 -10.812 10.619 1.00 0.00 C ATOM 1099 CG ARG A 76 4.614 -11.237 11.327 1.00 0.00 C ATOM 1100 CD ARG A 76 5.656 -10.129 11.311 1.00 0.00 C ATOM 1101 NE ARG A 76 5.539 -9.251 12.472 1.00 0.00 N ATOM 1102 CZ ARG A 76 5.704 -9.662 13.724 1.00 0.00 C ATOM 1103 NH1 ARG A 76 5.994 -10.931 13.976 1.00 0.00 N ATOM 1104 NH2 ARG A 76 5.582 -8.802 14.728 1.00 0.00 N ATOM 0 H ARG A 76 1.095 -12.921 10.083 1.00 0.00 H new ATOM 0 HA ARG A 76 2.172 -11.500 12.288 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.412 -11.077 9.564 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.248 -9.727 10.669 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.386 -11.509 12.358 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.020 -12.126 10.845 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.653 -10.569 11.288 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.546 -9.541 10.400 1.00 0.00 H new ATOM 0 HE ARG A 76 5.318 -8.268 12.313 1.00 0.00 H new ATOM 0 HH11 ARG A 76 6.091 -11.594 13.207 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.120 -11.244 14.939 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.361 -7.824 14.538 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.709 -9.119 15.689 1.00 0.00 H new ATOM 1118 N PRO A 77 0.042 -10.289 11.892 1.00 0.00 N ATOM 1119 CA PRO A 77 -1.164 -9.471 11.732 1.00 0.00 C ATOM 1120 C PRO A 77 -0.839 -8.009 11.447 1.00 0.00 C ATOM 1121 O PRO A 77 -0.534 -7.242 12.360 1.00 0.00 O ATOM 1122 CB PRO A 77 -1.867 -9.609 13.085 1.00 0.00 C ATOM 1123 CG PRO A 77 -0.776 -9.924 14.049 1.00 0.00 C ATOM 1124 CD PRO A 77 0.232 -10.735 13.283 1.00 0.00 C ATOM 0 HA PRO A 77 -1.769 -9.797 10.886 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.383 -8.689 13.358 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.616 -10.400 13.063 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.326 -9.012 14.441 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -1.159 -10.483 14.903 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.248 -10.546 13.631 1.00 0.00 H new ATOM 0 HD3 PRO A 77 0.052 -11.805 13.390 1.00 0.00 H new ATOM 1132 N ILE A 78 -0.907 -7.630 10.175 1.00 0.00 N ATOM 1133 CA ILE A 78 -0.621 -6.259 9.771 1.00 0.00 C ATOM 1134 C ILE A 78 -1.725 -5.310 10.226 1.00 0.00 C ATOM 1135 O ILE A 78 -2.874 -5.716 10.405 1.00 0.00 O ATOM 1136 CB ILE A 78 -0.459 -6.145 8.244 1.00 0.00 C ATOM 1137 CG1 ILE A 78 -1.814 -6.301 7.552 1.00 0.00 C ATOM 1138 CG2 ILE A 78 0.525 -7.188 7.736 1.00 0.00 C ATOM 1139 CD1 ILE A 78 -1.782 -5.968 6.076 1.00 0.00 C ATOM 0 H ILE A 78 -1.158 -8.253 9.407 1.00 0.00 H new ATOM 0 HA ILE A 78 0.317 -5.978 10.250 1.00 0.00 H new ATOM 0 HB ILE A 78 -0.064 -5.157 8.009 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.161 -7.327 7.677 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.541 -5.656 8.046 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.629 -7.094 6.655 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.495 -7.033 8.208 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.157 -8.185 7.980 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.777 -6.101 5.651 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.466 -4.933 5.943 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.080 -6.630 5.569 1.00 0.00 H new ATOM 1151 N THR A 79 -1.370 -4.043 10.410 1.00 0.00 N ATOM 1152 CA THR A 79 -2.330 -3.035 10.843 1.00 0.00 C ATOM 1153 C THR A 79 -2.270 -1.800 9.952 1.00 0.00 C ATOM 1154 O THR A 79 -1.275 -1.076 9.943 1.00 0.00 O ATOM 1155 CB THR A 79 -2.080 -2.613 12.303 1.00 0.00 C ATOM 1156 OG1 THR A 79 -0.695 -2.304 12.495 1.00 0.00 O ATOM 1157 CG2 THR A 79 -2.497 -3.716 13.264 1.00 0.00 C ATOM 0 H THR A 79 -0.424 -3.690 10.266 1.00 0.00 H new ATOM 0 HA THR A 79 -3.319 -3.487 10.767 1.00 0.00 H new ATOM 0 HB THR A 79 -2.680 -1.727 12.509 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.350 -1.843 11.702 1.00 0.00 H new ATOM 0 HG21 THR A 79 -2.311 -3.395 14.289 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.559 -3.927 13.137 1.00 0.00 H new ATOM 0 HG23 THR A 79 -1.920 -4.617 13.056 1.00 0.00 H new ATOM 1165 N VAL A 80 -3.343 -1.563 9.204 1.00 0.00 N ATOM 1166 CA VAL A 80 -3.414 -0.414 8.310 1.00 0.00 C ATOM 1167 C VAL A 80 -4.042 0.787 9.007 1.00 0.00 C ATOM 1168 O VAL A 80 -5.001 0.645 9.766 1.00 0.00 O ATOM 1169 CB VAL A 80 -4.224 -0.739 7.040 1.00 0.00 C ATOM 1170 CG1 VAL A 80 -4.209 0.441 6.081 1.00 0.00 C ATOM 1171 CG2 VAL A 80 -3.681 -1.990 6.368 1.00 0.00 C ATOM 0 H VAL A 80 -4.176 -2.152 9.200 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.390 -0.171 8.026 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.258 -0.929 7.328 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.786 0.193 5.190 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.649 1.311 6.568 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.181 0.666 5.797 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.265 -2.205 5.473 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.639 -1.831 6.092 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.750 -2.832 7.057 1.00 0.00 H new ATOM 1181 N SER A 81 -3.496 1.970 8.744 1.00 0.00 N ATOM 1182 CA SER A 81 -4.002 3.197 9.350 1.00 0.00 C ATOM 1183 C SER A 81 -3.496 4.423 8.595 1.00 0.00 C ATOM 1184 O SER A 81 -2.313 4.521 8.269 1.00 0.00 O ATOM 1185 CB SER A 81 -3.579 3.277 10.818 1.00 0.00 C ATOM 1186 OG SER A 81 -4.485 2.572 11.649 1.00 0.00 O ATOM 0 H SER A 81 -2.704 2.105 8.116 1.00 0.00 H new ATOM 0 HA SER A 81 -5.090 3.180 9.294 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.577 2.864 10.934 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.531 4.320 11.130 1.00 0.00 H new ATOM 0 HG SER A 81 -4.830 1.791 11.168 1.00 0.00 H new ATOM 1192 N TYR A 82 -4.402 5.355 8.321 1.00 0.00 N ATOM 1193 CA TYR A 82 -4.050 6.575 7.603 1.00 0.00 C ATOM 1194 C TYR A 82 -2.847 7.258 8.246 1.00 0.00 C ATOM 1195 O TYR A 82 -2.976 7.943 9.260 1.00 0.00 O ATOM 1196 CB TYR A 82 -5.240 7.535 7.574 1.00 0.00 C ATOM 1197 CG TYR A 82 -6.196 7.280 6.431 1.00 0.00 C ATOM 1198 CD1 TYR A 82 -5.806 7.484 5.113 1.00 0.00 C ATOM 1199 CD2 TYR A 82 -7.490 6.833 6.669 1.00 0.00 C ATOM 1200 CE1 TYR A 82 -6.676 7.252 4.066 1.00 0.00 C ATOM 1201 CE2 TYR A 82 -8.367 6.598 5.627 1.00 0.00 C ATOM 1202 CZ TYR A 82 -7.956 6.809 4.328 1.00 0.00 C ATOM 1203 OH TYR A 82 -8.826 6.576 3.287 1.00 0.00 O ATOM 0 H TYR A 82 -5.385 5.289 8.585 1.00 0.00 H new ATOM 0 HA TYR A 82 -3.786 6.302 6.581 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.783 7.455 8.516 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.869 8.558 7.505 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.805 7.830 4.904 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -7.816 6.666 7.685 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.356 7.416 3.048 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.369 6.251 5.829 1.00 0.00 H new ATOM 0 HH TYR A 82 -8.823 7.345 2.680 1.00 0.00 H new ATOM 1213 N ALA A 83 -1.676 7.065 7.647 1.00 0.00 N ATOM 1214 CA ALA A 83 -0.449 7.664 8.158 1.00 0.00 C ATOM 1215 C ALA A 83 -0.703 9.073 8.684 1.00 0.00 C ATOM 1216 O ALA A 83 -1.333 9.892 8.014 1.00 0.00 O ATOM 1217 CB ALA A 83 0.618 7.687 7.074 1.00 0.00 C ATOM 0 H ALA A 83 -1.551 6.499 6.808 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.094 7.054 8.988 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.529 8.137 7.469 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.828 6.668 6.749 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.263 8.273 6.226 1.00 0.00 H new ATOM 1223 N PHE A 84 -0.210 9.349 9.886 1.00 0.00 N ATOM 1224 CA PHE A 84 -0.385 10.659 10.502 1.00 0.00 C ATOM 1225 C PHE A 84 0.724 11.615 10.072 1.00 0.00 C ATOM 1226 O PHE A 84 1.905 11.269 10.105 1.00 0.00 O ATOM 1227 CB PHE A 84 -0.400 10.531 12.027 1.00 0.00 C ATOM 1228 CG PHE A 84 -1.290 9.429 12.527 1.00 0.00 C ATOM 1229 CD1 PHE A 84 -2.654 9.456 12.281 1.00 0.00 C ATOM 1230 CD2 PHE A 84 -0.764 8.367 13.243 1.00 0.00 C ATOM 1231 CE1 PHE A 84 -3.475 8.444 12.740 1.00 0.00 C ATOM 1232 CE2 PHE A 84 -1.580 7.351 13.706 1.00 0.00 C ATOM 1233 CZ PHE A 84 -2.937 7.390 13.453 1.00 0.00 C ATOM 0 H PHE A 84 0.314 8.683 10.453 1.00 0.00 H new ATOM 0 HA PHE A 84 -1.340 11.065 10.169 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.616 10.354 12.379 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -0.727 11.476 12.460 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -3.080 10.278 11.724 1.00 0.00 H new ATOM 0 HD2 PHE A 84 0.297 8.332 13.442 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -4.536 8.477 12.542 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.157 6.529 14.264 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.577 6.598 13.812 1.00 0.00 H new ATOM 1243 N LYS A 85 0.334 12.819 9.668 1.00 0.00 N ATOM 1244 CA LYS A 85 1.293 13.827 9.231 1.00 0.00 C ATOM 1245 C LYS A 85 0.884 15.214 9.717 1.00 0.00 C ATOM 1246 O LYS A 85 -0.199 15.393 10.276 1.00 0.00 O ATOM 1247 CB LYS A 85 1.408 13.823 7.705 1.00 0.00 C ATOM 1248 CG LYS A 85 0.172 14.355 7.000 1.00 0.00 C ATOM 1249 CD LYS A 85 -0.873 13.269 6.811 1.00 0.00 C ATOM 1250 CE LYS A 85 -1.985 13.721 5.877 1.00 0.00 C ATOM 1251 NZ LYS A 85 -1.551 13.711 4.453 1.00 0.00 N ATOM 0 H LYS A 85 -0.640 13.121 9.634 1.00 0.00 H new ATOM 0 HA LYS A 85 2.263 13.581 9.663 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.269 14.423 7.412 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.599 12.805 7.366 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.254 15.174 7.579 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.453 14.763 6.029 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -0.400 12.374 6.408 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -1.297 12.998 7.778 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.849 13.068 5.998 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -2.304 14.726 6.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -2.364 13.927 3.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -0.811 14.427 4.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -1.175 12.772 4.211 1.00 0.00 H new ATOM 1265 N LYS A 86 1.754 16.193 9.499 1.00 0.00 N ATOM 1266 CA LYS A 86 1.483 17.565 9.911 1.00 0.00 C ATOM 1267 C LYS A 86 0.953 18.390 8.743 1.00 0.00 C ATOM 1268 O LYS A 86 1.668 18.641 7.773 1.00 0.00 O ATOM 1269 CB LYS A 86 2.753 18.211 10.471 1.00 0.00 C ATOM 1270 CG LYS A 86 3.134 17.706 11.852 1.00 0.00 C ATOM 1271 CD LYS A 86 2.263 18.326 12.932 1.00 0.00 C ATOM 1272 CE LYS A 86 2.932 18.253 14.297 1.00 0.00 C ATOM 1273 NZ LYS A 86 2.075 18.837 15.366 1.00 0.00 N ATOM 0 H LYS A 86 2.655 16.062 9.038 1.00 0.00 H new ATOM 0 HA LYS A 86 0.721 17.540 10.690 1.00 0.00 H new ATOM 0 HB2 LYS A 86 3.579 18.024 9.784 1.00 0.00 H new ATOM 0 HB3 LYS A 86 2.613 19.291 10.514 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.037 16.621 11.883 1.00 0.00 H new ATOM 0 HG3 LYS A 86 4.181 17.938 12.049 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.057 19.367 12.682 1.00 0.00 H new ATOM 0 HD3 LYS A 86 1.303 17.810 12.968 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.155 17.213 14.537 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.884 18.783 14.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.566 18.768 16.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.883 19.836 15.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 1.177 18.315 15.415 1.00 0.00 H new ATOM 1287 N ASP A 87 -0.303 18.810 8.844 1.00 0.00 N ATOM 1288 CA ASP A 87 -0.929 19.609 7.796 1.00 0.00 C ATOM 1289 C ASP A 87 -0.875 21.094 8.141 1.00 0.00 C ATOM 1290 O ASP A 87 -0.481 21.472 9.244 1.00 0.00 O ATOM 1291 CB ASP A 87 -2.380 19.173 7.590 1.00 0.00 C ATOM 1292 CG ASP A 87 -2.495 17.717 7.183 1.00 0.00 C ATOM 1293 OD1 ASP A 87 -1.555 17.205 6.540 1.00 0.00 O ATOM 1294 OD2 ASP A 87 -3.524 17.090 7.508 1.00 0.00 O ATOM 0 H ASP A 87 -0.908 18.611 9.641 1.00 0.00 H new ATOM 0 HA ASP A 87 -0.375 19.448 6.871 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.939 19.335 8.512 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.839 19.799 6.824 1.00 0.00 H new ATOM 1299 N SER A 88 -1.273 21.932 7.189 1.00 0.00 N ATOM 1300 CA SER A 88 -1.265 23.377 7.390 1.00 0.00 C ATOM 1301 C SER A 88 -2.385 24.041 6.595 1.00 0.00 C ATOM 1302 O SER A 88 -2.841 23.513 5.581 1.00 0.00 O ATOM 1303 CB SER A 88 0.086 23.963 6.977 1.00 0.00 C ATOM 1304 OG SER A 88 0.057 25.379 7.003 1.00 0.00 O ATOM 0 H SER A 88 -1.605 21.636 6.271 1.00 0.00 H new ATOM 0 HA SER A 88 -1.429 23.573 8.450 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.864 23.600 7.648 1.00 0.00 H new ATOM 0 HB3 SER A 88 0.344 23.620 5.975 1.00 0.00 H new ATOM 0 HG SER A 88 0.933 25.729 6.737 1.00 0.00 H new ATOM 1310 N LYS A 89 -2.824 25.205 7.063 1.00 0.00 N ATOM 1311 CA LYS A 89 -3.889 25.945 6.397 1.00 0.00 C ATOM 1312 C LYS A 89 -3.518 26.248 4.948 1.00 0.00 C ATOM 1313 O LYS A 89 -2.514 26.905 4.679 1.00 0.00 O ATOM 1314 CB LYS A 89 -4.175 27.250 7.144 1.00 0.00 C ATOM 1315 CG LYS A 89 -5.396 27.991 6.627 1.00 0.00 C ATOM 1316 CD LYS A 89 -5.310 29.479 6.920 1.00 0.00 C ATOM 1317 CE LYS A 89 -6.181 30.286 5.968 1.00 0.00 C ATOM 1318 NZ LYS A 89 -5.438 30.685 4.741 1.00 0.00 N ATOM 0 H LYS A 89 -2.458 25.656 7.901 1.00 0.00 H new ATOM 0 HA LYS A 89 -4.786 25.325 6.402 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.315 27.030 8.202 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -3.305 27.902 7.066 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -5.489 27.836 5.552 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.294 27.580 7.087 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -5.621 29.667 7.948 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -4.274 29.808 6.835 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.055 29.698 5.688 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -6.547 31.178 6.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.301 31.716 4.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -4.512 30.212 4.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -5.982 30.406 3.900 1.00 0.00 H new ATOM 1332 N GLY A 90 -4.337 25.764 4.019 1.00 0.00 N ATOM 1333 CA GLY A 90 -4.078 25.994 2.610 1.00 0.00 C ATOM 1334 C GLY A 90 -5.326 26.400 1.850 1.00 0.00 C ATOM 1335 O GLY A 90 -5.620 25.852 0.788 1.00 0.00 O ATOM 0 H GLY A 90 -5.175 25.217 4.217 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -3.323 26.773 2.505 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -3.665 25.088 2.167 1.00 0.00 H new ATOM 1339 N SER A 91 -6.062 27.363 2.396 1.00 0.00 N ATOM 1340 CA SER A 91 -7.288 27.838 1.765 1.00 0.00 C ATOM 1341 C SER A 91 -7.688 29.203 2.317 1.00 0.00 C ATOM 1342 O SER A 91 -7.493 29.490 3.497 1.00 0.00 O ATOM 1343 CB SER A 91 -8.421 26.834 1.984 1.00 0.00 C ATOM 1344 OG SER A 91 -8.640 26.605 3.365 1.00 0.00 O ATOM 0 H SER A 91 -5.831 27.829 3.273 1.00 0.00 H new ATOM 0 HA SER A 91 -7.103 27.938 0.695 1.00 0.00 H new ATOM 0 HB2 SER A 91 -9.336 27.208 1.525 1.00 0.00 H new ATOM 0 HB3 SER A 91 -8.178 25.893 1.490 1.00 0.00 H new ATOM 0 HG SER A 91 -9.370 25.961 3.478 1.00 0.00 H new ATOM 1350 N GLY A 92 -8.251 30.042 1.452 1.00 0.00 N ATOM 1351 CA GLY A 92 -8.670 31.367 1.869 1.00 0.00 C ATOM 1352 C GLY A 92 -9.445 32.097 0.790 1.00 0.00 C ATOM 1353 O GLY A 92 -9.270 31.850 -0.404 1.00 0.00 O ATOM 0 H GLY A 92 -8.424 29.827 0.470 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -9.288 31.285 2.763 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.792 31.953 2.141 1.00 0.00 H new ATOM 1357 N PRO A 93 -10.324 33.020 1.208 1.00 0.00 N ATOM 1358 CA PRO A 93 -11.146 33.806 0.284 1.00 0.00 C ATOM 1359 C PRO A 93 -10.322 34.811 -0.513 1.00 0.00 C ATOM 1360 O PRO A 93 -9.428 35.462 0.027 1.00 0.00 O ATOM 1361 CB PRO A 93 -12.126 34.531 1.209 1.00 0.00 C ATOM 1362 CG PRO A 93 -11.420 34.611 2.519 1.00 0.00 C ATOM 1363 CD PRO A 93 -10.583 33.366 2.616 1.00 0.00 C ATOM 0 HA PRO A 93 -11.630 33.179 -0.465 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -12.369 35.523 0.829 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -13.065 33.985 1.298 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -10.798 35.504 2.573 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -12.132 34.668 3.343 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.657 33.545 3.163 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -11.110 32.566 3.136 1.00 0.00 H new ATOM 1371 N SER A 94 -10.629 34.933 -1.801 1.00 0.00 N ATOM 1372 CA SER A 94 -9.914 35.857 -2.673 1.00 0.00 C ATOM 1373 C SER A 94 -10.839 36.968 -3.162 1.00 0.00 C ATOM 1374 O SER A 94 -12.061 36.821 -3.157 1.00 0.00 O ATOM 1375 CB SER A 94 -9.322 35.109 -3.868 1.00 0.00 C ATOM 1376 OG SER A 94 -8.810 36.012 -4.833 1.00 0.00 O ATOM 0 H SER A 94 -11.368 34.403 -2.263 1.00 0.00 H new ATOM 0 HA SER A 94 -9.105 36.308 -2.098 1.00 0.00 H new ATOM 0 HB2 SER A 94 -8.527 34.446 -3.528 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.088 34.481 -4.323 1.00 0.00 H new ATOM 0 HG SER A 94 -8.436 35.509 -5.586 1.00 0.00 H new ATOM 1382 N SER A 95 -10.246 38.080 -3.584 1.00 0.00 N ATOM 1383 CA SER A 95 -11.015 39.219 -4.073 1.00 0.00 C ATOM 1384 C SER A 95 -11.134 39.181 -5.593 1.00 0.00 C ATOM 1385 O SER A 95 -10.272 38.636 -6.281 1.00 0.00 O ATOM 1386 CB SER A 95 -10.360 40.530 -3.633 1.00 0.00 C ATOM 1387 OG SER A 95 -9.027 40.618 -4.105 1.00 0.00 O ATOM 0 H SER A 95 -9.235 38.217 -3.597 1.00 0.00 H new ATOM 0 HA SER A 95 -12.016 39.161 -3.646 1.00 0.00 H new ATOM 0 HB2 SER A 95 -10.939 41.373 -4.009 1.00 0.00 H new ATOM 0 HB3 SER A 95 -10.369 40.597 -2.545 1.00 0.00 H new ATOM 0 HG SER A 95 -8.631 41.465 -3.812 1.00 0.00 H new ATOM 1393 N GLY A 96 -12.210 39.766 -6.111 1.00 0.00 N ATOM 1394 CA GLY A 96 -12.424 39.788 -7.547 1.00 0.00 C ATOM 1395 C GLY A 96 -13.850 40.144 -7.915 1.00 0.00 C ATOM 1396 O GLY A 96 -14.797 39.538 -7.414 1.00 0.00 O ATOM 0 H GLY A 96 -12.937 40.225 -5.562 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -11.744 40.509 -8.002 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -12.178 38.811 -7.963 1.00 0.00 H new TER 1400 GLY A 96