USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 833 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 28 ASN : amide:sc=-0.00691 X(o=0.13,f=0.01) USER MOD Set 1.2: A 48 MET CE :methyl -176:sc= -0.106 (180deg=-0.108) USER MOD Set 1.3: A 58 ASN : amide:sc= 0.244 K(o=0.13,f=-6.1!) USER MOD Set 2.1: A 51 LYS NZ :NH3+ -165:sc= 1.41 (180deg=0.367) USER MOD Set 2.2: A 55 SER OG : rot -16:sc= 0.52 USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.0806 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 168:sc=-0.00289 (180deg=-0.231) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.00542 USER MOD Single : A 24 THR OG1 : rot 75:sc= 1.17 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 MET CE :methyl 163:sc=-0.00622 (180deg=-0.477) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 MET CE :methyl -166:sc= -0.24 (180deg=-0.998) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -178:sc= 1.13 (180deg=1.05) USER MOD Single : A 46 LYS NZ :NH3+ 166:sc= 1.31 (180deg=1.1) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -7:sc= 0.598 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= -0.0593 X(o=-0.059,f=-0.5) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot -107:sc= 0.196 USER MOD Single : A 77 MET CE :methyl -147:sc=-0.000565 (180deg=-0.331) USER MOD Single : A 78 GLN : amide:sc= 0.428 K(o=0.43,f=-0.21) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.0298 X(o=-0.03,f=-0.043) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0233) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ -165:sc= 1.24 (180deg=0.995) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.460 16.012 -4.912 1.00 0.00 N ATOM 2 CA GLY A 1 17.175 14.722 -5.037 1.00 0.00 C ATOM 3 C GLY A 1 17.473 14.097 -3.679 1.00 0.00 C ATOM 4 O GLY A 1 17.027 14.595 -2.643 1.00 0.00 O ATOM 0 H1 GLY A 1 15.598 15.989 -5.494 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.202 16.171 -3.917 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.077 16.784 -5.237 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.575 14.031 -5.629 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.109 14.877 -5.577 1.00 0.00 H new ATOM 10 N SER A 2 18.214 12.983 -3.670 1.00 0.00 N ATOM 11 CA SER A 2 18.563 12.225 -2.453 1.00 0.00 C ATOM 12 C SER A 2 19.458 13.013 -1.479 1.00 0.00 C ATOM 13 O SER A 2 20.318 13.795 -1.894 1.00 0.00 O ATOM 14 CB SER A 2 19.267 10.921 -2.844 1.00 0.00 C ATOM 15 OG SER A 2 19.454 10.094 -1.705 1.00 0.00 O ATOM 0 H SER A 2 18.597 12.572 -4.521 1.00 0.00 H new ATOM 0 HA SER A 2 17.627 12.022 -1.932 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.676 10.392 -3.591 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.231 11.144 -3.300 1.00 0.00 H new ATOM 0 HG SER A 2 19.903 9.265 -1.973 1.00 0.00 H new ATOM 21 N ALA A 3 19.282 12.776 -0.175 1.00 0.00 N ATOM 22 CA ALA A 3 20.091 13.364 0.897 1.00 0.00 C ATOM 23 C ALA A 3 21.481 12.707 1.062 1.00 0.00 C ATOM 24 O ALA A 3 22.419 13.380 1.492 1.00 0.00 O ATOM 25 CB ALA A 3 19.290 13.265 2.204 1.00 0.00 C ATOM 0 H ALA A 3 18.553 12.153 0.173 1.00 0.00 H new ATOM 0 HA ALA A 3 20.294 14.402 0.633 1.00 0.00 H new ATOM 0 HB1 ALA A 3 19.870 13.696 3.020 1.00 0.00 H new ATOM 0 HB2 ALA A 3 18.352 13.810 2.098 1.00 0.00 H new ATOM 0 HB3 ALA A 3 19.079 12.218 2.423 1.00 0.00 H new ATOM 31 N MET A 4 21.616 11.413 0.722 1.00 0.00 N ATOM 32 CA MET A 4 22.810 10.560 0.906 1.00 0.00 C ATOM 33 C MET A 4 23.583 10.836 2.220 1.00 0.00 C ATOM 34 O MET A 4 24.756 11.226 2.208 1.00 0.00 O ATOM 35 CB MET A 4 23.713 10.636 -0.342 1.00 0.00 C ATOM 36 CG MET A 4 23.041 10.056 -1.591 1.00 0.00 C ATOM 37 SD MET A 4 24.118 10.029 -3.052 1.00 0.00 S ATOM 38 CE MET A 4 23.095 9.019 -4.157 1.00 0.00 C ATOM 0 H MET A 4 20.850 10.901 0.285 1.00 0.00 H new ATOM 0 HA MET A 4 22.457 9.535 1.015 1.00 0.00 H new ATOM 0 HB2 MET A 4 23.982 11.676 -0.528 1.00 0.00 H new ATOM 0 HB3 MET A 4 24.640 10.096 -0.149 1.00 0.00 H new ATOM 0 HG2 MET A 4 22.709 9.040 -1.376 1.00 0.00 H new ATOM 0 HG3 MET A 4 22.150 10.641 -1.818 1.00 0.00 H new ATOM 0 HE1 MET A 4 23.604 8.896 -5.113 1.00 0.00 H new ATOM 0 HE2 MET A 4 22.929 8.041 -3.706 1.00 0.00 H new ATOM 0 HE3 MET A 4 22.136 9.512 -4.317 1.00 0.00 H new ATOM 48 N ALA A 5 22.912 10.646 3.362 1.00 0.00 N ATOM 49 CA ALA A 5 23.375 11.045 4.697 1.00 0.00 C ATOM 50 C ALA A 5 23.249 9.902 5.728 1.00 0.00 C ATOM 51 O ALA A 5 22.150 9.566 6.176 1.00 0.00 O ATOM 52 CB ALA A 5 22.601 12.302 5.116 1.00 0.00 C ATOM 0 H ALA A 5 21.998 10.194 3.383 1.00 0.00 H new ATOM 0 HA ALA A 5 24.440 11.273 4.660 1.00 0.00 H new ATOM 0 HB1 ALA A 5 22.929 12.618 6.107 1.00 0.00 H new ATOM 0 HB2 ALA A 5 22.790 13.101 4.399 1.00 0.00 H new ATOM 0 HB3 ALA A 5 21.534 12.081 5.140 1.00 0.00 H new ATOM 58 N ASP A 6 24.378 9.300 6.117 1.00 0.00 N ATOM 59 CA ASP A 6 24.458 8.152 7.042 1.00 0.00 C ATOM 60 C ASP A 6 23.898 8.428 8.456 1.00 0.00 C ATOM 61 O ASP A 6 23.451 7.507 9.143 1.00 0.00 O ATOM 62 CB ASP A 6 25.927 7.708 7.121 1.00 0.00 C ATOM 63 CG ASP A 6 26.108 6.397 7.907 1.00 0.00 C ATOM 64 OD1 ASP A 6 25.683 5.327 7.405 1.00 0.00 O ATOM 65 OD2 ASP A 6 26.706 6.425 9.010 1.00 0.00 O ATOM 0 H ASP A 6 25.294 9.605 5.789 1.00 0.00 H new ATOM 0 HA ASP A 6 23.821 7.364 6.641 1.00 0.00 H new ATOM 0 HB2 ASP A 6 26.318 7.579 6.112 1.00 0.00 H new ATOM 0 HB3 ASP A 6 26.516 8.495 7.593 1.00 0.00 H new ATOM 70 N ILE A 7 23.873 9.698 8.880 1.00 0.00 N ATOM 71 CA ILE A 7 23.274 10.169 10.142 1.00 0.00 C ATOM 72 C ILE A 7 21.738 9.992 10.206 1.00 0.00 C ATOM 73 O ILE A 7 21.158 10.019 11.295 1.00 0.00 O ATOM 74 CB ILE A 7 23.717 11.634 10.398 1.00 0.00 C ATOM 75 CG1 ILE A 7 23.381 12.195 11.798 1.00 0.00 C ATOM 76 CG2 ILE A 7 23.156 12.601 9.339 1.00 0.00 C ATOM 77 CD1 ILE A 7 23.964 11.382 12.959 1.00 0.00 C ATOM 0 H ILE A 7 24.284 10.456 8.336 1.00 0.00 H new ATOM 0 HA ILE A 7 23.647 9.536 10.948 1.00 0.00 H new ATOM 0 HB ILE A 7 24.803 11.575 10.331 1.00 0.00 H new ATOM 0 HG12 ILE A 7 23.750 13.218 11.865 1.00 0.00 H new ATOM 0 HG13 ILE A 7 22.298 12.239 11.909 1.00 0.00 H new ATOM 0 HG21 ILE A 7 23.491 13.615 9.558 1.00 0.00 H new ATOM 0 HG22 ILE A 7 23.512 12.306 8.352 1.00 0.00 H new ATOM 0 HG23 ILE A 7 22.067 12.568 9.357 1.00 0.00 H new ATOM 0 HD11 ILE A 7 23.681 11.844 13.905 1.00 0.00 H new ATOM 0 HD12 ILE A 7 23.575 10.364 12.922 1.00 0.00 H new ATOM 0 HD13 ILE A 7 25.051 11.359 12.877 1.00 0.00 H new ATOM 89 N GLY A 8 21.065 9.772 9.069 1.00 0.00 N ATOM 90 CA GLY A 8 19.603 9.661 8.989 1.00 0.00 C ATOM 91 C GLY A 8 18.888 11.020 9.019 1.00 0.00 C ATOM 92 O GLY A 8 19.490 12.064 8.750 1.00 0.00 O ATOM 0 H GLY A 8 21.528 9.665 8.166 1.00 0.00 H new ATOM 0 HA2 GLY A 8 19.335 9.137 8.071 1.00 0.00 H new ATOM 0 HA3 GLY A 8 19.246 9.052 9.819 1.00 0.00 H new ATOM 96 N SER A 9 17.589 11.008 9.331 1.00 0.00 N ATOM 97 CA SER A 9 16.731 12.198 9.438 1.00 0.00 C ATOM 98 C SER A 9 15.895 12.158 10.725 1.00 0.00 C ATOM 99 O SER A 9 15.253 11.149 11.027 1.00 0.00 O ATOM 100 CB SER A 9 15.829 12.294 8.202 1.00 0.00 C ATOM 101 OG SER A 9 15.104 13.513 8.210 1.00 0.00 O ATOM 0 H SER A 9 17.086 10.142 9.523 1.00 0.00 H new ATOM 0 HA SER A 9 17.362 13.085 9.485 1.00 0.00 H new ATOM 0 HB2 SER A 9 16.434 12.229 7.297 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.137 11.452 8.183 1.00 0.00 H new ATOM 0 HG SER A 9 14.534 13.560 7.414 1.00 0.00 H new ATOM 107 N GLU A 10 15.912 13.250 11.497 1.00 0.00 N ATOM 108 CA GLU A 10 15.232 13.392 12.796 1.00 0.00 C ATOM 109 C GLU A 10 14.333 14.643 12.806 1.00 0.00 C ATOM 110 O GLU A 10 14.682 15.688 13.364 1.00 0.00 O ATOM 111 CB GLU A 10 16.255 13.399 13.949 1.00 0.00 C ATOM 112 CG GLU A 10 17.057 12.092 14.053 1.00 0.00 C ATOM 113 CD GLU A 10 17.896 12.038 15.348 1.00 0.00 C ATOM 114 OE1 GLU A 10 18.694 12.972 15.612 1.00 0.00 O ATOM 115 OE2 GLU A 10 17.776 11.049 16.112 1.00 0.00 O ATOM 0 H GLU A 10 16.418 14.093 11.227 1.00 0.00 H new ATOM 0 HA GLU A 10 14.583 12.529 12.948 1.00 0.00 H new ATOM 0 HB2 GLU A 10 16.945 14.231 13.809 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.732 13.573 14.889 1.00 0.00 H new ATOM 0 HG2 GLU A 10 16.374 11.243 14.026 1.00 0.00 H new ATOM 0 HG3 GLU A 10 17.715 11.999 13.189 1.00 0.00 H new ATOM 122 N PHE A 11 13.170 14.545 12.152 1.00 0.00 N ATOM 123 CA PHE A 11 12.161 15.610 12.055 1.00 0.00 C ATOM 124 C PHE A 11 10.727 15.044 11.966 1.00 0.00 C ATOM 125 O PHE A 11 10.523 13.826 11.938 1.00 0.00 O ATOM 126 CB PHE A 11 12.497 16.513 10.851 1.00 0.00 C ATOM 127 CG PHE A 11 12.080 17.961 11.035 1.00 0.00 C ATOM 128 CD1 PHE A 11 12.771 18.764 11.963 1.00 0.00 C ATOM 129 CD2 PHE A 11 11.014 18.511 10.295 1.00 0.00 C ATOM 130 CE1 PHE A 11 12.399 20.105 12.155 1.00 0.00 C ATOM 131 CE2 PHE A 11 10.644 19.855 10.488 1.00 0.00 C ATOM 132 CZ PHE A 11 11.336 20.653 11.417 1.00 0.00 C ATOM 0 H PHE A 11 12.895 13.695 11.659 1.00 0.00 H new ATOM 0 HA PHE A 11 12.190 16.206 12.967 1.00 0.00 H new ATOM 0 HB2 PHE A 11 13.571 16.474 10.669 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.008 16.114 9.962 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.590 18.347 12.530 1.00 0.00 H new ATOM 0 HD2 PHE A 11 10.481 17.901 9.580 1.00 0.00 H new ATOM 0 HE1 PHE A 11 12.930 20.715 12.870 1.00 0.00 H new ATOM 0 HE2 PHE A 11 9.826 20.275 9.921 1.00 0.00 H new ATOM 0 HZ PHE A 11 11.051 21.684 11.563 1.00 0.00 H new ATOM 142 N GLU A 12 9.719 15.920 11.912 1.00 0.00 N ATOM 143 CA GLU A 12 8.306 15.551 11.724 1.00 0.00 C ATOM 144 C GLU A 12 8.061 14.797 10.401 1.00 0.00 C ATOM 145 O GLU A 12 8.544 15.201 9.338 1.00 0.00 O ATOM 146 CB GLU A 12 7.422 16.812 11.756 1.00 0.00 C ATOM 147 CG GLU A 12 7.319 17.470 13.139 1.00 0.00 C ATOM 148 CD GLU A 12 6.615 16.560 14.166 1.00 0.00 C ATOM 149 OE1 GLU A 12 5.385 16.343 14.048 1.00 0.00 O ATOM 150 OE2 GLU A 12 7.285 16.054 15.098 1.00 0.00 O ATOM 0 H GLU A 12 9.862 16.926 11.999 1.00 0.00 H new ATOM 0 HA GLU A 12 8.044 14.881 12.543 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.819 17.539 11.048 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.421 16.549 11.415 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.318 17.715 13.498 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.772 18.409 13.053 1.00 0.00 H new ATOM 157 N LYS A 13 7.263 13.719 10.463 1.00 0.00 N ATOM 158 CA LYS A 13 6.848 12.892 9.310 1.00 0.00 C ATOM 159 C LYS A 13 5.452 13.237 8.754 1.00 0.00 C ATOM 160 O LYS A 13 5.107 12.817 7.650 1.00 0.00 O ATOM 161 CB LYS A 13 6.981 11.393 9.650 1.00 0.00 C ATOM 162 CG LYS A 13 6.095 10.883 10.807 1.00 0.00 C ATOM 163 CD LYS A 13 6.724 10.911 12.215 1.00 0.00 C ATOM 164 CE LYS A 13 7.532 9.651 12.573 1.00 0.00 C ATOM 165 NZ LYS A 13 8.864 9.595 11.911 1.00 0.00 N ATOM 0 H LYS A 13 6.874 13.385 11.345 1.00 0.00 H new ATOM 0 HA LYS A 13 7.533 13.132 8.497 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.746 10.815 8.756 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.022 11.187 9.898 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.183 11.480 10.828 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.800 9.858 10.585 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.377 11.781 12.291 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.931 11.042 12.952 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.670 9.612 13.654 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.958 8.768 12.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.435 8.840 12.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.740 9.399 10.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.349 10.507 12.030 1.00 0.00 H new ATOM 179 N THR A 14 4.672 14.034 9.487 1.00 0.00 N ATOM 180 CA THR A 14 3.273 14.403 9.196 1.00 0.00 C ATOM 181 C THR A 14 3.080 15.912 8.987 1.00 0.00 C ATOM 182 O THR A 14 3.868 16.703 9.520 1.00 0.00 O ATOM 183 CB THR A 14 2.347 13.956 10.346 1.00 0.00 C ATOM 184 OG1 THR A 14 2.942 14.149 11.616 1.00 0.00 O ATOM 185 CG2 THR A 14 2.010 12.477 10.231 1.00 0.00 C ATOM 0 H THR A 14 5.011 14.466 10.347 1.00 0.00 H new ATOM 0 HA THR A 14 3.017 13.893 8.267 1.00 0.00 H new ATOM 0 HB THR A 14 1.450 14.569 10.261 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.322 13.855 12.316 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.356 12.188 11.054 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.504 12.292 9.283 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.928 11.890 10.273 1.00 0.00 H new ATOM 193 N PRO A 15 2.028 16.334 8.254 1.00 0.00 N ATOM 194 CA PRO A 15 1.670 17.744 8.089 1.00 0.00 C ATOM 195 C PRO A 15 1.043 18.340 9.363 1.00 0.00 C ATOM 196 O PRO A 15 0.589 17.619 10.257 1.00 0.00 O ATOM 197 CB PRO A 15 0.679 17.760 6.917 1.00 0.00 C ATOM 198 CG PRO A 15 -0.029 16.412 7.041 1.00 0.00 C ATOM 199 CD PRO A 15 1.087 15.489 7.524 1.00 0.00 C ATOM 0 HA PRO A 15 2.549 18.359 7.897 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -0.022 18.591 6.993 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.190 17.860 5.959 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.856 16.453 7.750 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -0.442 16.083 6.088 1.00 0.00 H new ATOM 0 HD2 PRO A 15 0.691 14.703 8.166 1.00 0.00 H new ATOM 0 HD3 PRO A 15 1.577 14.997 6.683 1.00 0.00 H new ATOM 207 N SER A 16 0.964 19.672 9.420 1.00 0.00 N ATOM 208 CA SER A 16 0.339 20.422 10.527 1.00 0.00 C ATOM 209 C SER A 16 -1.196 20.277 10.578 1.00 0.00 C ATOM 210 O SER A 16 -1.805 20.417 11.641 1.00 0.00 O ATOM 211 CB SER A 16 0.730 21.903 10.402 1.00 0.00 C ATOM 212 OG SER A 16 0.424 22.637 11.577 1.00 0.00 O ATOM 0 H SER A 16 1.338 20.276 8.688 1.00 0.00 H new ATOM 0 HA SER A 16 0.710 19.999 11.461 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.797 21.979 10.195 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.208 22.345 9.553 1.00 0.00 H new ATOM 0 HG SER A 16 0.689 23.573 11.457 1.00 0.00 H new ATOM 218 N LEU A 17 -1.834 19.960 9.442 1.00 0.00 N ATOM 219 CA LEU A 17 -3.279 19.723 9.314 1.00 0.00 C ATOM 220 C LEU A 17 -3.673 18.339 9.871 1.00 0.00 C ATOM 221 O LEU A 17 -3.781 17.352 9.137 1.00 0.00 O ATOM 222 CB LEU A 17 -3.722 19.914 7.842 1.00 0.00 C ATOM 223 CG LEU A 17 -4.034 21.355 7.386 1.00 0.00 C ATOM 224 CD1 LEU A 17 -5.283 21.915 8.072 1.00 0.00 C ATOM 225 CD2 LEU A 17 -2.881 22.336 7.600 1.00 0.00 C ATOM 0 H LEU A 17 -1.340 19.858 8.555 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.810 20.459 9.918 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.937 19.517 7.198 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.611 19.306 7.674 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.205 21.266 6.313 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.466 22.931 7.722 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.142 21.288 7.832 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.132 21.925 9.151 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.177 23.327 7.255 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.633 22.380 8.660 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.010 22.002 7.037 1.00 0.00 H new ATOM 237 N THR A 18 -3.899 18.267 11.185 1.00 0.00 N ATOM 238 CA THR A 18 -4.533 17.125 11.873 1.00 0.00 C ATOM 239 C THR A 18 -6.009 16.991 11.455 1.00 0.00 C ATOM 240 O THR A 18 -6.648 17.981 11.081 1.00 0.00 O ATOM 241 CB THR A 18 -4.450 17.303 13.407 1.00 0.00 C ATOM 242 OG1 THR A 18 -3.207 17.852 13.801 1.00 0.00 O ATOM 243 CG2 THR A 18 -4.602 15.992 14.182 1.00 0.00 C ATOM 0 H THR A 18 -3.641 19.020 11.823 1.00 0.00 H new ATOM 0 HA THR A 18 -3.997 16.221 11.586 1.00 0.00 H new ATOM 0 HB THR A 18 -5.279 17.970 13.644 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.188 17.953 14.776 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.534 16.191 15.251 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.571 15.547 13.957 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.810 15.303 13.890 1.00 0.00 H new ATOM 251 N ARG A 19 -6.583 15.782 11.553 1.00 0.00 N ATOM 252 CA ARG A 19 -8.007 15.492 11.278 1.00 0.00 C ATOM 253 C ARG A 19 -8.787 15.159 12.561 1.00 0.00 C ATOM 254 O ARG A 19 -8.188 14.886 13.605 1.00 0.00 O ATOM 255 CB ARG A 19 -8.101 14.326 10.270 1.00 0.00 C ATOM 256 CG ARG A 19 -9.279 14.482 9.290 1.00 0.00 C ATOM 257 CD ARG A 19 -9.873 13.131 8.879 1.00 0.00 C ATOM 258 NE ARG A 19 -10.861 12.639 9.872 1.00 0.00 N ATOM 259 CZ ARG A 19 -12.177 12.585 9.734 1.00 0.00 C ATOM 260 NH1 ARG A 19 -12.781 13.012 8.662 1.00 0.00 N ATOM 261 NH2 ARG A 19 -12.931 12.097 10.673 1.00 0.00 N ATOM 0 H ARG A 19 -6.059 14.953 11.833 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.463 16.387 10.854 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.170 14.263 9.706 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.208 13.388 10.815 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.055 15.093 9.752 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.941 15.014 8.401 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.353 13.226 7.905 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.072 12.400 8.770 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.484 12.305 10.759 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -12.238 13.404 7.893 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -13.797 12.954 8.592 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -12.511 11.747 11.534 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.943 12.064 10.549 1.00 0.00 H new ATOM 275 N ARG A 20 -10.122 15.101 12.470 1.00 0.00 N ATOM 276 CA ARG A 20 -10.996 14.478 13.486 1.00 0.00 C ATOM 277 C ARG A 20 -10.737 12.969 13.612 1.00 0.00 C ATOM 278 O ARG A 20 -10.204 12.339 12.693 1.00 0.00 O ATOM 279 CB ARG A 20 -12.478 14.750 13.149 1.00 0.00 C ATOM 280 CG ARG A 20 -12.901 16.181 13.519 1.00 0.00 C ATOM 281 CD ARG A 20 -14.408 16.405 13.326 1.00 0.00 C ATOM 282 NE ARG A 20 -14.794 16.460 11.900 1.00 0.00 N ATOM 283 CZ ARG A 20 -16.016 16.589 11.415 1.00 0.00 C ATOM 284 NH1 ARG A 20 -17.067 16.634 12.186 1.00 0.00 N ATOM 285 NH2 ARG A 20 -16.211 16.681 10.131 1.00 0.00 N ATOM 0 H ARG A 20 -10.637 15.489 11.680 1.00 0.00 H new ATOM 0 HA ARG A 20 -10.762 14.928 14.451 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.643 14.587 12.084 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.107 14.037 13.682 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.635 16.380 14.557 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.348 16.892 12.906 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -14.957 15.602 13.817 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -14.699 17.335 13.814 1.00 0.00 H new ATOM 0 HE ARG A 20 -14.038 16.391 11.219 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -16.960 16.569 13.198 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -17.996 16.734 11.777 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -15.417 16.654 9.491 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -17.158 16.780 9.765 1.00 0.00 H new ATOM 299 N ILE A 21 -11.196 12.392 14.725 1.00 0.00 N ATOM 300 CA ILE A 21 -11.208 10.950 15.035 1.00 0.00 C ATOM 301 C ILE A 21 -11.913 10.116 13.934 1.00 0.00 C ATOM 302 O ILE A 21 -12.623 10.660 13.087 1.00 0.00 O ATOM 303 CB ILE A 21 -11.835 10.774 16.447 1.00 0.00 C ATOM 304 CG1 ILE A 21 -11.416 9.447 17.112 1.00 0.00 C ATOM 305 CG2 ILE A 21 -13.364 10.953 16.421 1.00 0.00 C ATOM 306 CD1 ILE A 21 -11.799 9.331 18.593 1.00 0.00 C ATOM 0 H ILE A 21 -11.594 12.947 15.483 1.00 0.00 H new ATOM 0 HA ILE A 21 -10.191 10.559 15.049 1.00 0.00 H new ATOM 0 HB ILE A 21 -11.433 11.572 17.071 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -11.872 8.621 16.566 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -10.336 9.333 17.019 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -13.763 10.822 17.427 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -13.607 11.953 16.061 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -13.806 10.211 15.756 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -11.467 8.368 18.980 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -11.322 10.133 19.156 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -12.881 9.410 18.696 1.00 0.00 H new ATOM 318 N ASP A 22 -11.747 8.793 13.941 1.00 0.00 N ATOM 319 CA ASP A 22 -12.437 7.831 13.066 1.00 0.00 C ATOM 320 C ASP A 22 -12.986 6.651 13.882 1.00 0.00 C ATOM 321 O ASP A 22 -12.454 6.318 14.945 1.00 0.00 O ATOM 322 CB ASP A 22 -11.454 7.357 11.984 1.00 0.00 C ATOM 323 CG ASP A 22 -12.079 6.393 10.962 1.00 0.00 C ATOM 324 OD1 ASP A 22 -12.784 6.865 10.042 1.00 0.00 O ATOM 325 OD2 ASP A 22 -11.867 5.164 11.095 1.00 0.00 O ATOM 0 H ASP A 22 -11.100 8.337 14.584 1.00 0.00 H new ATOM 0 HA ASP A 22 -13.290 8.312 12.587 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.060 8.226 11.457 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.608 6.865 12.464 1.00 0.00 H new ATOM 330 N ASP A 23 -14.025 5.988 13.378 1.00 0.00 N ATOM 331 CA ASP A 23 -14.636 4.811 14.006 1.00 0.00 C ATOM 332 C ASP A 23 -13.627 3.672 14.243 1.00 0.00 C ATOM 333 O ASP A 23 -13.688 3.000 15.273 1.00 0.00 O ATOM 334 CB ASP A 23 -15.799 4.324 13.129 1.00 0.00 C ATOM 335 CG ASP A 23 -16.929 5.362 13.035 1.00 0.00 C ATOM 336 OD1 ASP A 23 -17.774 5.427 13.961 1.00 0.00 O ATOM 337 OD2 ASP A 23 -16.979 6.115 12.033 1.00 0.00 O ATOM 0 H ASP A 23 -14.477 6.257 12.504 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.002 5.107 14.989 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -15.429 4.101 12.128 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -16.195 3.394 13.537 1.00 0.00 H new ATOM 342 N THR A 24 -12.673 3.461 13.329 1.00 0.00 N ATOM 343 CA THR A 24 -11.726 2.330 13.377 1.00 0.00 C ATOM 344 C THR A 24 -10.796 2.363 14.597 1.00 0.00 C ATOM 345 O THR A 24 -10.391 1.307 15.081 1.00 0.00 O ATOM 346 CB THR A 24 -10.889 2.211 12.088 1.00 0.00 C ATOM 347 OG1 THR A 24 -11.661 2.501 10.943 1.00 0.00 O ATOM 348 CG2 THR A 24 -10.350 0.789 11.897 1.00 0.00 C ATOM 0 H THR A 24 -12.531 4.074 12.526 1.00 0.00 H new ATOM 0 HA THR A 24 -12.357 1.446 13.469 1.00 0.00 H new ATOM 0 HB THR A 24 -10.072 2.924 12.198 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.811 3.468 10.886 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.765 0.742 10.979 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.718 0.523 12.744 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.184 0.090 11.832 1.00 0.00 H new ATOM 356 N ILE A 25 -10.521 3.552 15.156 1.00 0.00 N ATOM 357 CA ILE A 25 -9.811 3.727 16.437 1.00 0.00 C ATOM 358 C ILE A 25 -10.507 2.953 17.568 1.00 0.00 C ATOM 359 O ILE A 25 -9.844 2.282 18.362 1.00 0.00 O ATOM 360 CB ILE A 25 -9.661 5.237 16.766 1.00 0.00 C ATOM 361 CG1 ILE A 25 -8.624 5.904 15.831 1.00 0.00 C ATOM 362 CG2 ILE A 25 -9.263 5.466 18.237 1.00 0.00 C ATOM 363 CD1 ILE A 25 -8.706 7.433 15.796 1.00 0.00 C ATOM 0 H ILE A 25 -10.790 4.436 14.724 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.809 3.308 16.342 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.636 5.697 16.604 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.623 5.612 16.149 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -8.762 5.520 14.820 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.168 6.535 18.426 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -10.029 5.048 18.890 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.310 4.977 18.436 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -7.947 7.823 15.118 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -9.693 7.737 15.448 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.537 7.829 16.797 1.00 0.00 H new ATOM 375 N PHE A 26 -11.840 3.025 17.637 1.00 0.00 N ATOM 376 CA PHE A 26 -12.647 2.322 18.634 1.00 0.00 C ATOM 377 C PHE A 26 -12.989 0.881 18.210 1.00 0.00 C ATOM 378 O PHE A 26 -12.934 -0.032 19.037 1.00 0.00 O ATOM 379 CB PHE A 26 -13.910 3.155 18.908 1.00 0.00 C ATOM 380 CG PHE A 26 -14.860 2.592 19.953 1.00 0.00 C ATOM 381 CD1 PHE A 26 -14.377 2.140 21.199 1.00 0.00 C ATOM 382 CD2 PHE A 26 -16.242 2.549 19.689 1.00 0.00 C ATOM 383 CE1 PHE A 26 -15.267 1.629 22.161 1.00 0.00 C ATOM 384 CE2 PHE A 26 -17.134 2.046 20.655 1.00 0.00 C ATOM 385 CZ PHE A 26 -16.646 1.581 21.889 1.00 0.00 C ATOM 0 H PHE A 26 -12.396 3.584 16.990 1.00 0.00 H new ATOM 0 HA PHE A 26 -12.068 2.219 19.552 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -13.603 4.152 19.223 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -14.457 3.270 17.972 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -13.320 2.186 21.415 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -16.620 2.903 18.741 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -14.891 1.273 23.109 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -18.194 2.017 20.448 1.00 0.00 H new ATOM 0 HZ PHE A 26 -17.329 1.187 22.627 1.00 0.00 H new ATOM 395 N GLN A 27 -13.315 0.652 16.931 1.00 0.00 N ATOM 396 CA GLN A 27 -13.742 -0.660 16.419 1.00 0.00 C ATOM 397 C GLN A 27 -12.627 -1.726 16.397 1.00 0.00 C ATOM 398 O GLN A 27 -12.941 -2.920 16.418 1.00 0.00 O ATOM 399 CB GLN A 27 -14.348 -0.524 15.008 1.00 0.00 C ATOM 400 CG GLN A 27 -15.591 0.385 14.937 1.00 0.00 C ATOM 401 CD GLN A 27 -16.786 -0.296 14.271 1.00 0.00 C ATOM 402 OE1 GLN A 27 -17.462 -1.136 14.854 1.00 0.00 O ATOM 403 NE2 GLN A 27 -17.100 0.029 13.033 1.00 0.00 N ATOM 0 H GLN A 27 -13.290 1.378 16.215 1.00 0.00 H new ATOM 0 HA GLN A 27 -14.495 -1.011 17.125 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.586 -0.132 14.334 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.616 -1.516 14.643 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -15.869 0.692 15.945 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.341 1.291 14.385 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -16.548 0.726 12.533 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -17.895 -0.417 12.575 1.00 0.00 H new ATOM 412 N ASN A 28 -11.344 -1.334 16.364 1.00 0.00 N ATOM 413 CA ASN A 28 -10.203 -2.253 16.267 1.00 0.00 C ATOM 414 C ASN A 28 -9.097 -1.936 17.306 1.00 0.00 C ATOM 415 O ASN A 28 -8.370 -0.953 17.141 1.00 0.00 O ATOM 416 CB ASN A 28 -9.680 -2.241 14.821 1.00 0.00 C ATOM 417 CG ASN A 28 -8.707 -3.384 14.581 1.00 0.00 C ATOM 418 OD1 ASN A 28 -8.988 -4.541 14.865 1.00 0.00 O ATOM 419 ND2 ASN A 28 -7.529 -3.111 14.082 1.00 0.00 N ATOM 0 H ASN A 28 -11.067 -0.353 16.405 1.00 0.00 H new ATOM 0 HA ASN A 28 -10.536 -3.262 16.513 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.517 -2.321 14.128 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.187 -1.291 14.617 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -6.853 -3.860 13.932 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.287 -2.149 13.843 1.00 0.00 H new ATOM 426 N PRO A 29 -8.923 -2.745 18.374 1.00 0.00 N ATOM 427 CA PRO A 29 -8.067 -2.403 19.518 1.00 0.00 C ATOM 428 C PRO A 29 -6.556 -2.392 19.221 1.00 0.00 C ATOM 429 O PRO A 29 -5.785 -1.824 19.998 1.00 0.00 O ATOM 430 CB PRO A 29 -8.419 -3.428 20.604 1.00 0.00 C ATOM 431 CG PRO A 29 -8.871 -4.647 19.805 1.00 0.00 C ATOM 432 CD PRO A 29 -9.585 -4.022 18.610 1.00 0.00 C ATOM 0 HA PRO A 29 -8.262 -1.374 19.822 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.560 -3.657 21.235 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -9.208 -3.063 21.261 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -8.027 -5.263 19.495 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -9.537 -5.287 20.385 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -9.516 -4.666 17.733 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -10.645 -3.880 18.819 1.00 0.00 H new ATOM 440 N MET A 30 -6.118 -2.943 18.081 1.00 0.00 N ATOM 441 CA MET A 30 -4.729 -2.855 17.594 1.00 0.00 C ATOM 442 C MET A 30 -4.265 -1.402 17.395 1.00 0.00 C ATOM 443 O MET A 30 -3.071 -1.114 17.476 1.00 0.00 O ATOM 444 CB MET A 30 -4.593 -3.592 16.254 1.00 0.00 C ATOM 445 CG MET A 30 -4.907 -5.091 16.331 1.00 0.00 C ATOM 446 SD MET A 30 -5.119 -5.904 14.719 1.00 0.00 S ATOM 447 CE MET A 30 -3.540 -5.520 13.916 1.00 0.00 C ATOM 0 H MET A 30 -6.728 -3.473 17.458 1.00 0.00 H new ATOM 0 HA MET A 30 -4.102 -3.315 18.358 1.00 0.00 H new ATOM 0 HB2 MET A 30 -5.260 -3.129 15.527 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.577 -3.463 15.882 1.00 0.00 H new ATOM 0 HG2 MET A 30 -4.103 -5.590 16.872 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.817 -5.229 16.915 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.393 -6.185 13.065 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.549 -4.486 13.571 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.727 -5.657 14.628 1.00 0.00 H new ATOM 457 N VAL A 31 -5.210 -0.482 17.155 1.00 0.00 N ATOM 458 CA VAL A 31 -4.953 0.955 17.002 1.00 0.00 C ATOM 459 C VAL A 31 -4.309 1.536 18.262 1.00 0.00 C ATOM 460 O VAL A 31 -3.209 2.075 18.183 1.00 0.00 O ATOM 461 CB VAL A 31 -6.234 1.719 16.612 1.00 0.00 C ATOM 462 CG1 VAL A 31 -5.995 3.233 16.560 1.00 0.00 C ATOM 463 CG2 VAL A 31 -6.715 1.281 15.223 1.00 0.00 C ATOM 0 H VAL A 31 -6.197 -0.723 17.060 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.244 1.081 16.184 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.980 1.491 17.373 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.920 3.738 16.282 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.670 3.584 17.540 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.224 3.455 15.822 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.620 1.829 14.962 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.939 1.490 14.487 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.928 0.212 15.232 1.00 0.00 H new ATOM 473 N GLN A 32 -4.949 1.383 19.425 1.00 0.00 N ATOM 474 CA GLN A 32 -4.466 1.889 20.719 1.00 0.00 C ATOM 475 C GLN A 32 -3.003 1.489 20.995 1.00 0.00 C ATOM 476 O GLN A 32 -2.183 2.321 21.387 1.00 0.00 O ATOM 477 CB GLN A 32 -5.378 1.363 21.844 1.00 0.00 C ATOM 478 CG GLN A 32 -6.818 1.905 21.805 1.00 0.00 C ATOM 479 CD GLN A 32 -6.909 3.352 22.283 1.00 0.00 C ATOM 480 OE1 GLN A 32 -6.912 4.296 21.504 1.00 0.00 O ATOM 481 NE2 GLN A 32 -6.983 3.588 23.577 1.00 0.00 N ATOM 0 H GLN A 32 -5.840 0.892 19.497 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.499 2.978 20.685 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.411 0.275 21.788 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.933 1.620 22.805 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.201 1.837 20.787 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.456 1.279 22.428 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.982 2.811 24.238 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -7.042 4.548 23.918 1.00 0.00 H new ATOM 490 N GLU A 33 -2.664 0.221 20.748 1.00 0.00 N ATOM 491 CA GLU A 33 -1.315 -0.333 20.902 1.00 0.00 C ATOM 492 C GLU A 33 -0.271 0.310 19.970 1.00 0.00 C ATOM 493 O GLU A 33 0.874 0.504 20.381 1.00 0.00 O ATOM 494 CB GLU A 33 -1.398 -1.856 20.708 1.00 0.00 C ATOM 495 CG GLU A 33 -0.059 -2.607 20.638 1.00 0.00 C ATOM 496 CD GLU A 33 0.867 -2.419 21.856 1.00 0.00 C ATOM 497 OE1 GLU A 33 0.406 -1.937 22.917 1.00 0.00 O ATOM 498 OE2 GLU A 33 2.058 -2.800 21.778 1.00 0.00 O ATOM 0 H GLU A 33 -3.341 -0.470 20.425 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.960 -0.099 21.906 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.982 -2.274 21.528 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.950 -2.054 19.789 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.264 -3.671 20.519 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.474 -2.283 19.744 1.00 0.00 H new ATOM 505 N ALA A 34 -0.639 0.687 18.740 1.00 0.00 N ATOM 506 CA ALA A 34 0.262 1.394 17.829 1.00 0.00 C ATOM 507 C ALA A 34 0.650 2.782 18.382 1.00 0.00 C ATOM 508 O ALA A 34 1.841 3.076 18.507 1.00 0.00 O ATOM 509 CB ALA A 34 -0.365 1.457 16.432 1.00 0.00 C ATOM 0 H ALA A 34 -1.566 0.511 18.352 1.00 0.00 H new ATOM 0 HA ALA A 34 1.198 0.841 17.745 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.307 1.984 15.755 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.533 0.445 16.062 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.316 1.987 16.484 1.00 0.00 H new ATOM 515 N ILE A 35 -0.320 3.612 18.797 1.00 0.00 N ATOM 516 CA ILE A 35 -0.022 4.889 19.481 1.00 0.00 C ATOM 517 C ILE A 35 0.832 4.664 20.741 1.00 0.00 C ATOM 518 O ILE A 35 1.765 5.430 20.988 1.00 0.00 O ATOM 519 CB ILE A 35 -1.296 5.713 19.800 1.00 0.00 C ATOM 520 CG1 ILE A 35 -1.984 6.226 18.512 1.00 0.00 C ATOM 521 CG2 ILE A 35 -0.977 6.942 20.674 1.00 0.00 C ATOM 522 CD1 ILE A 35 -3.176 5.360 18.110 1.00 0.00 C ATOM 0 H ILE A 35 -1.315 3.426 18.673 1.00 0.00 H new ATOM 0 HA ILE A 35 0.562 5.485 18.780 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.960 5.034 20.335 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.318 7.252 18.665 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.259 6.244 17.698 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.895 7.493 20.876 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.536 6.614 21.616 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.273 7.589 20.150 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.626 5.759 17.201 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.840 4.339 17.930 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.914 5.363 18.912 1.00 0.00 H new ATOM 534 N ARG A 36 0.578 3.597 21.512 1.00 0.00 N ATOM 535 CA ARG A 36 1.343 3.256 22.729 1.00 0.00 C ATOM 536 C ARG A 36 2.846 3.011 22.488 1.00 0.00 C ATOM 537 O ARG A 36 3.636 3.202 23.414 1.00 0.00 O ATOM 538 CB ARG A 36 0.655 2.083 23.457 1.00 0.00 C ATOM 539 CG ARG A 36 1.172 1.893 24.894 1.00 0.00 C ATOM 540 CD ARG A 36 0.258 1.009 25.752 1.00 0.00 C ATOM 541 NE ARG A 36 0.253 -0.403 25.321 1.00 0.00 N ATOM 542 CZ ARG A 36 0.023 -1.471 26.063 1.00 0.00 C ATOM 543 NH1 ARG A 36 -0.237 -1.408 27.339 1.00 0.00 N ATOM 544 NH2 ARG A 36 0.051 -2.645 25.514 1.00 0.00 N ATOM 0 H ARG A 36 -0.172 2.936 21.309 1.00 0.00 H new ATOM 0 HA ARG A 36 1.329 4.133 23.376 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.421 2.257 23.482 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.817 1.165 22.892 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.167 1.450 24.860 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.273 2.869 25.369 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.579 1.065 26.792 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -0.759 1.399 25.711 1.00 0.00 H new ATOM 0 HE ARG A 36 0.450 -0.574 24.335 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.270 -0.503 27.809 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.408 -2.264 27.868 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.249 -2.738 24.518 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.125 -3.476 26.078 1.00 0.00 H new ATOM 558 N MET A 37 3.270 2.671 21.264 1.00 0.00 N ATOM 559 CA MET A 37 4.697 2.601 20.887 1.00 0.00 C ATOM 560 C MET A 37 5.334 3.959 20.519 1.00 0.00 C ATOM 561 O MET A 37 6.556 4.039 20.379 1.00 0.00 O ATOM 562 CB MET A 37 4.920 1.624 19.723 1.00 0.00 C ATOM 563 CG MET A 37 4.425 0.199 19.997 1.00 0.00 C ATOM 564 SD MET A 37 5.383 -1.122 19.191 1.00 0.00 S ATOM 565 CE MET A 37 5.620 -0.437 17.529 1.00 0.00 C ATOM 0 H MET A 37 2.635 2.435 20.501 1.00 0.00 H new ATOM 0 HA MET A 37 5.194 2.247 21.790 1.00 0.00 H new ATOM 0 HB2 MET A 37 4.414 2.009 18.838 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.985 1.589 19.491 1.00 0.00 H new ATOM 0 HG2 MET A 37 4.436 0.029 21.074 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.387 0.123 19.672 1.00 0.00 H new ATOM 0 HE1 MET A 37 5.965 -1.223 16.857 1.00 0.00 H new ATOM 0 HE2 MET A 37 4.675 -0.036 17.163 1.00 0.00 H new ATOM 0 HE3 MET A 37 6.362 0.360 17.566 1.00 0.00 H new ATOM 575 N GLY A 38 4.538 5.023 20.359 1.00 0.00 N ATOM 576 CA GLY A 38 4.987 6.393 20.067 1.00 0.00 C ATOM 577 C GLY A 38 4.492 6.992 18.741 1.00 0.00 C ATOM 578 O GLY A 38 4.809 8.148 18.449 1.00 0.00 O ATOM 0 H GLY A 38 3.523 4.952 20.432 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.663 7.042 20.880 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.077 6.405 20.065 1.00 0.00 H new ATOM 582 N PHE A 39 3.732 6.246 17.928 1.00 0.00 N ATOM 583 CA PHE A 39 3.104 6.760 16.699 1.00 0.00 C ATOM 584 C PHE A 39 1.984 7.789 16.978 1.00 0.00 C ATOM 585 O PHE A 39 1.462 7.883 18.092 1.00 0.00 O ATOM 586 CB PHE A 39 2.539 5.585 15.890 1.00 0.00 C ATOM 587 CG PHE A 39 3.560 4.680 15.222 1.00 0.00 C ATOM 588 CD1 PHE A 39 4.272 5.139 14.096 1.00 0.00 C ATOM 589 CD2 PHE A 39 3.751 3.360 15.673 1.00 0.00 C ATOM 590 CE1 PHE A 39 5.171 4.284 13.432 1.00 0.00 C ATOM 591 CE2 PHE A 39 4.641 2.502 15.004 1.00 0.00 C ATOM 592 CZ PHE A 39 5.348 2.964 13.884 1.00 0.00 C ATOM 0 H PHE A 39 3.533 5.261 18.104 1.00 0.00 H new ATOM 0 HA PHE A 39 3.876 7.281 16.133 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.923 4.977 16.553 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.879 5.985 15.120 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.127 6.149 13.742 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.211 3.005 16.538 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.725 4.641 12.576 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.780 1.489 15.352 1.00 0.00 H new ATOM 0 HZ PHE A 39 6.030 2.305 13.368 1.00 0.00 H new ATOM 602 N SER A 40 1.576 8.540 15.948 1.00 0.00 N ATOM 603 CA SER A 40 0.482 9.527 16.011 1.00 0.00 C ATOM 604 C SER A 40 -0.880 8.901 15.683 1.00 0.00 C ATOM 605 O SER A 40 -0.992 8.156 14.709 1.00 0.00 O ATOM 606 CB SER A 40 0.737 10.658 15.004 1.00 0.00 C ATOM 607 OG SER A 40 1.943 11.349 15.296 1.00 0.00 O ATOM 0 H SER A 40 2.005 8.480 15.024 1.00 0.00 H new ATOM 0 HA SER A 40 0.459 9.908 17.032 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.787 10.246 13.996 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.099 11.358 15.021 1.00 0.00 H new ATOM 0 HG SER A 40 2.079 12.062 14.637 1.00 0.00 H new ATOM 613 N PHE A 41 -1.943 9.271 16.413 1.00 0.00 N ATOM 614 CA PHE A 41 -3.332 8.849 16.135 1.00 0.00 C ATOM 615 C PHE A 41 -3.739 9.055 14.667 1.00 0.00 C ATOM 616 O PHE A 41 -4.296 8.150 14.041 1.00 0.00 O ATOM 617 CB PHE A 41 -4.315 9.587 17.066 1.00 0.00 C ATOM 618 CG PHE A 41 -4.688 8.832 18.329 1.00 0.00 C ATOM 619 CD1 PHE A 41 -5.620 7.779 18.258 1.00 0.00 C ATOM 620 CD2 PHE A 41 -4.131 9.186 19.574 1.00 0.00 C ATOM 621 CE1 PHE A 41 -5.984 7.076 19.420 1.00 0.00 C ATOM 622 CE2 PHE A 41 -4.497 8.480 20.736 1.00 0.00 C ATOM 623 CZ PHE A 41 -5.419 7.423 20.658 1.00 0.00 C ATOM 0 H PHE A 41 -1.865 9.881 17.227 1.00 0.00 H new ATOM 0 HA PHE A 41 -3.377 7.777 16.330 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.876 10.544 17.348 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -5.226 9.806 16.509 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -6.057 7.510 17.308 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.423 9.999 19.637 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -6.699 6.268 19.360 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.068 8.752 21.689 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.693 6.878 21.549 1.00 0.00 H new ATOM 633 N LYS A 42 -3.409 10.230 14.111 1.00 0.00 N ATOM 634 CA LYS A 42 -3.624 10.624 12.709 1.00 0.00 C ATOM 635 C LYS A 42 -2.994 9.658 11.697 1.00 0.00 C ATOM 636 O LYS A 42 -3.582 9.428 10.645 1.00 0.00 O ATOM 637 CB LYS A 42 -3.136 12.079 12.543 1.00 0.00 C ATOM 638 CG LYS A 42 -3.268 12.665 11.125 1.00 0.00 C ATOM 639 CD LYS A 42 -1.980 12.508 10.293 1.00 0.00 C ATOM 640 CE LYS A 42 -2.073 13.198 8.925 1.00 0.00 C ATOM 641 NZ LYS A 42 -2.993 12.491 7.994 1.00 0.00 N ATOM 0 H LYS A 42 -2.962 10.969 14.654 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.689 10.569 12.483 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.695 12.712 13.232 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.089 12.129 12.842 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.092 12.172 10.608 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.523 13.722 11.196 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.140 12.924 10.849 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.773 11.448 10.148 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.416 14.224 9.061 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.080 13.251 8.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.022 12.995 7.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.653 11.520 7.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.948 12.463 8.404 1.00 0.00 H new ATOM 655 N ASP A 43 -1.836 9.070 12.001 1.00 0.00 N ATOM 656 CA ASP A 43 -1.218 8.048 11.144 1.00 0.00 C ATOM 657 C ASP A 43 -1.939 6.706 11.244 1.00 0.00 C ATOM 658 O ASP A 43 -2.187 6.072 10.217 1.00 0.00 O ATOM 659 CB ASP A 43 0.266 7.844 11.487 1.00 0.00 C ATOM 660 CG ASP A 43 1.150 9.008 11.030 1.00 0.00 C ATOM 661 OD1 ASP A 43 0.845 9.615 9.976 1.00 0.00 O ATOM 662 OD2 ASP A 43 2.165 9.280 11.714 1.00 0.00 O ATOM 0 H ASP A 43 -1.300 9.285 12.842 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.304 8.419 10.123 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.370 7.717 12.565 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.618 6.923 11.022 1.00 0.00 H new ATOM 667 N ILE A 44 -2.295 6.266 12.457 1.00 0.00 N ATOM 668 CA ILE A 44 -2.919 4.950 12.636 1.00 0.00 C ATOM 669 C ILE A 44 -4.295 4.900 11.969 1.00 0.00 C ATOM 670 O ILE A 44 -4.566 3.977 11.203 1.00 0.00 O ATOM 671 CB ILE A 44 -3.002 4.499 14.108 1.00 0.00 C ATOM 672 CG1 ILE A 44 -1.763 4.816 14.968 1.00 0.00 C ATOM 673 CG2 ILE A 44 -3.238 2.976 14.107 1.00 0.00 C ATOM 674 CD1 ILE A 44 -0.423 4.472 14.319 1.00 0.00 C ATOM 0 H ILE A 44 -2.164 6.795 13.319 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.260 4.237 12.141 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.814 5.064 14.566 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.770 5.878 15.211 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.844 4.273 15.910 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.303 2.617 15.134 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.168 2.752 13.585 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.410 2.480 13.601 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.388 4.731 15.000 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.388 3.405 14.101 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.312 5.035 13.392 1.00 0.00 H new ATOM 686 N LYS A 45 -5.150 5.909 12.190 1.00 0.00 N ATOM 687 CA LYS A 45 -6.446 6.010 11.494 1.00 0.00 C ATOM 688 C LYS A 45 -6.287 6.070 9.970 1.00 0.00 C ATOM 689 O LYS A 45 -7.036 5.398 9.264 1.00 0.00 O ATOM 690 CB LYS A 45 -7.299 7.152 12.080 1.00 0.00 C ATOM 691 CG LYS A 45 -6.765 8.585 11.882 1.00 0.00 C ATOM 692 CD LYS A 45 -7.280 9.293 10.616 1.00 0.00 C ATOM 693 CE LYS A 45 -8.757 9.676 10.761 1.00 0.00 C ATOM 694 NZ LYS A 45 -9.455 9.666 9.448 1.00 0.00 N ATOM 0 H LYS A 45 -4.969 6.669 12.846 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.001 5.090 11.677 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.294 7.095 11.638 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.415 6.976 13.150 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.036 9.183 12.752 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.676 8.551 11.845 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.686 10.187 10.428 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.153 8.639 9.753 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.249 8.981 11.441 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.835 10.667 11.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.443 9.962 9.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.979 10.323 8.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.431 8.706 9.050 1.00 0.00 H new ATOM 708 N LYS A 46 -5.292 6.814 9.462 1.00 0.00 N ATOM 709 CA LYS A 46 -4.996 6.948 8.024 1.00 0.00 C ATOM 710 C LYS A 46 -4.552 5.624 7.403 1.00 0.00 C ATOM 711 O LYS A 46 -5.061 5.253 6.348 1.00 0.00 O ATOM 712 CB LYS A 46 -3.962 8.069 7.802 1.00 0.00 C ATOM 713 CG LYS A 46 -3.622 8.363 6.328 1.00 0.00 C ATOM 714 CD LYS A 46 -4.826 8.865 5.507 1.00 0.00 C ATOM 715 CE LYS A 46 -5.206 7.876 4.398 1.00 0.00 C ATOM 716 NZ LYS A 46 -6.489 8.254 3.756 1.00 0.00 N ATOM 0 H LYS A 46 -4.656 7.352 10.051 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.916 7.226 7.510 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.337 8.984 8.262 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.043 7.803 8.324 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.829 9.110 6.288 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.230 7.457 5.866 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.679 9.017 6.168 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.588 9.833 5.066 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.416 7.847 3.648 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.287 6.872 4.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.604 7.722 2.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.277 8.032 4.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.487 9.273 3.550 1.00 0.00 H new ATOM 730 N ILE A 47 -3.632 4.895 8.033 1.00 0.00 N ATOM 731 CA ILE A 47 -3.190 3.601 7.499 1.00 0.00 C ATOM 732 C ILE A 47 -4.280 2.524 7.614 1.00 0.00 C ATOM 733 O ILE A 47 -4.449 1.735 6.688 1.00 0.00 O ATOM 734 CB ILE A 47 -1.829 3.183 8.096 1.00 0.00 C ATOM 735 CG1 ILE A 47 -1.075 2.355 7.041 1.00 0.00 C ATOM 736 CG2 ILE A 47 -1.948 2.434 9.434 1.00 0.00 C ATOM 737 CD1 ILE A 47 0.379 2.065 7.409 1.00 0.00 C ATOM 0 H ILE A 47 -3.180 5.171 8.905 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.023 3.718 6.428 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.268 4.086 8.338 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.598 1.410 6.892 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.100 2.886 6.090 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.953 2.172 9.794 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.442 3.073 10.166 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.534 1.526 9.292 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.844 1.478 6.618 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.918 3.005 7.529 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.413 1.506 8.344 1.00 0.00 H new ATOM 749 N MET A 48 -5.069 2.530 8.696 1.00 0.00 N ATOM 750 CA MET A 48 -6.245 1.669 8.887 1.00 0.00 C ATOM 751 C MET A 48 -7.285 1.863 7.777 1.00 0.00 C ATOM 752 O MET A 48 -7.606 0.909 7.068 1.00 0.00 O ATOM 753 CB MET A 48 -6.876 1.935 10.262 1.00 0.00 C ATOM 754 CG MET A 48 -6.084 1.279 11.395 1.00 0.00 C ATOM 755 SD MET A 48 -6.651 -0.395 11.792 1.00 0.00 S ATOM 756 CE MET A 48 -5.171 -1.038 12.609 1.00 0.00 C ATOM 0 H MET A 48 -4.902 3.152 9.487 1.00 0.00 H new ATOM 0 HA MET A 48 -5.907 0.634 8.839 1.00 0.00 H new ATOM 0 HB2 MET A 48 -6.931 3.010 10.434 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.899 1.559 10.270 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.030 1.242 11.118 1.00 0.00 H new ATOM 0 HG3 MET A 48 -6.157 1.901 12.287 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.320 -2.089 12.858 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.315 -0.941 11.941 1.00 0.00 H new ATOM 0 HE3 MET A 48 -4.984 -0.472 13.522 1.00 0.00 H new ATOM 766 N GLU A 49 -7.815 3.080 7.607 1.00 0.00 N ATOM 767 CA GLU A 49 -8.836 3.361 6.587 1.00 0.00 C ATOM 768 C GLU A 49 -8.331 3.045 5.165 1.00 0.00 C ATOM 769 O GLU A 49 -9.063 2.448 4.379 1.00 0.00 O ATOM 770 CB GLU A 49 -9.375 4.805 6.713 1.00 0.00 C ATOM 771 CG GLU A 49 -8.363 5.860 6.246 1.00 0.00 C ATOM 772 CD GLU A 49 -8.752 7.320 6.526 1.00 0.00 C ATOM 773 OE1 GLU A 49 -9.276 7.645 7.615 1.00 0.00 O ATOM 774 OE2 GLU A 49 -8.461 8.180 5.658 1.00 0.00 O ATOM 0 H GLU A 49 -7.552 3.892 8.166 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.676 2.691 6.770 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.289 4.900 6.126 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.642 4.999 7.752 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.406 5.659 6.728 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.211 5.742 5.173 1.00 0.00 H new ATOM 781 N GLU A 50 -7.079 3.390 4.836 1.00 0.00 N ATOM 782 CA GLU A 50 -6.488 3.175 3.508 1.00 0.00 C ATOM 783 C GLU A 50 -6.252 1.682 3.220 1.00 0.00 C ATOM 784 O GLU A 50 -6.632 1.205 2.148 1.00 0.00 O ATOM 785 CB GLU A 50 -5.215 4.031 3.383 1.00 0.00 C ATOM 786 CG GLU A 50 -4.739 4.286 1.943 1.00 0.00 C ATOM 787 CD GLU A 50 -3.822 3.206 1.327 1.00 0.00 C ATOM 788 OE1 GLU A 50 -3.386 2.260 2.025 1.00 0.00 O ATOM 789 OE2 GLU A 50 -3.487 3.337 0.124 1.00 0.00 O ATOM 0 H GLU A 50 -6.439 3.833 5.495 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.188 3.499 2.738 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.393 4.992 3.866 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.411 3.542 3.934 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.617 4.394 1.306 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.210 5.239 1.921 1.00 0.00 H new ATOM 796 N LYS A 51 -5.737 0.917 4.197 1.00 0.00 N ATOM 797 CA LYS A 51 -5.648 -0.553 4.152 1.00 0.00 C ATOM 798 C LYS A 51 -7.010 -1.168 3.852 1.00 0.00 C ATOM 799 O LYS A 51 -7.139 -1.891 2.868 1.00 0.00 O ATOM 800 CB LYS A 51 -5.048 -1.089 5.468 1.00 0.00 C ATOM 801 CG LYS A 51 -5.018 -2.621 5.608 1.00 0.00 C ATOM 802 CD LYS A 51 -4.110 -3.319 4.585 1.00 0.00 C ATOM 803 CE LYS A 51 -3.908 -4.802 4.932 1.00 0.00 C ATOM 804 NZ LYS A 51 -5.134 -5.624 4.728 1.00 0.00 N ATOM 0 H LYS A 51 -5.362 1.312 5.060 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.981 -0.844 3.341 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.029 -0.713 5.562 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.618 -0.677 6.301 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.683 -2.878 6.613 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.032 -3.006 5.502 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.547 -3.233 3.590 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.143 -2.817 4.552 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.102 -5.205 4.319 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.591 -4.886 5.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.022 -6.540 5.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.956 -5.125 5.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.281 -5.782 3.711 1.00 0.00 H new ATOM 818 N ILE A 52 -8.026 -0.885 4.668 1.00 0.00 N ATOM 819 CA ILE A 52 -9.378 -1.445 4.515 1.00 0.00 C ATOM 820 C ILE A 52 -9.997 -1.055 3.160 1.00 0.00 C ATOM 821 O ILE A 52 -10.558 -1.913 2.479 1.00 0.00 O ATOM 822 CB ILE A 52 -10.266 -1.037 5.714 1.00 0.00 C ATOM 823 CG1 ILE A 52 -9.701 -1.612 7.034 1.00 0.00 C ATOM 824 CG2 ILE A 52 -11.709 -1.546 5.537 1.00 0.00 C ATOM 825 CD1 ILE A 52 -10.280 -0.932 8.280 1.00 0.00 C ATOM 0 H ILE A 52 -7.937 -0.254 5.464 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.309 -2.533 4.516 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.269 0.052 5.755 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -9.913 -2.680 7.078 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.617 -1.501 7.037 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -12.309 -1.244 6.395 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -12.136 -1.121 4.628 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -11.705 -2.633 5.462 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -9.845 -1.379 9.174 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -10.046 0.132 8.256 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -11.362 -1.065 8.298 1.00 0.00 H new ATOM 837 N GLN A 53 -9.860 0.204 2.732 1.00 0.00 N ATOM 838 CA GLN A 53 -10.353 0.714 1.446 1.00 0.00 C ATOM 839 C GLN A 53 -9.743 -0.020 0.232 1.00 0.00 C ATOM 840 O GLN A 53 -10.479 -0.435 -0.666 1.00 0.00 O ATOM 841 CB GLN A 53 -10.098 2.231 1.394 1.00 0.00 C ATOM 842 CG GLN A 53 -10.650 2.917 0.135 1.00 0.00 C ATOM 843 CD GLN A 53 -10.501 4.441 0.189 1.00 0.00 C ATOM 844 OE1 GLN A 53 -9.543 4.996 0.712 1.00 0.00 O ATOM 845 NE2 GLN A 53 -11.445 5.188 -0.347 1.00 0.00 N ATOM 0 H GLN A 53 -9.389 0.919 3.287 1.00 0.00 H new ATOM 0 HA GLN A 53 -11.423 0.519 1.379 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.546 2.694 2.273 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -9.024 2.410 1.451 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.129 2.534 -0.742 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.703 2.661 0.017 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -12.253 4.750 -0.789 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -11.368 6.205 -0.320 1.00 0.00 H new ATOM 854 N ILE A 54 -8.415 -0.185 0.190 1.00 0.00 N ATOM 855 CA ILE A 54 -7.693 -0.851 -0.910 1.00 0.00 C ATOM 856 C ILE A 54 -7.805 -2.386 -0.836 1.00 0.00 C ATOM 857 O ILE A 54 -8.210 -3.032 -1.805 1.00 0.00 O ATOM 858 CB ILE A 54 -6.214 -0.382 -0.931 1.00 0.00 C ATOM 859 CG1 ILE A 54 -6.072 1.133 -1.213 1.00 0.00 C ATOM 860 CG2 ILE A 54 -5.360 -1.172 -1.941 1.00 0.00 C ATOM 861 CD1 ILE A 54 -6.760 1.654 -2.483 1.00 0.00 C ATOM 0 H ILE A 54 -7.798 0.145 0.932 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.163 -0.559 -1.849 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.840 -0.582 0.073 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.471 1.679 -0.358 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.010 1.372 -1.276 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -4.334 -0.805 -1.916 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.373 -2.230 -1.679 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.768 -1.041 -2.943 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.591 2.727 -2.574 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.347 1.146 -3.355 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.831 1.459 -2.423 1.00 0.00 H new ATOM 873 N SER A 55 -7.421 -2.978 0.297 1.00 0.00 N ATOM 874 CA SER A 55 -7.286 -4.430 0.508 1.00 0.00 C ATOM 875 C SER A 55 -8.622 -5.151 0.755 1.00 0.00 C ATOM 876 O SER A 55 -8.746 -6.347 0.480 1.00 0.00 O ATOM 877 CB SER A 55 -6.351 -4.642 1.705 1.00 0.00 C ATOM 878 OG SER A 55 -5.993 -5.995 1.926 1.00 0.00 O ATOM 0 H SER A 55 -7.184 -2.440 1.131 1.00 0.00 H new ATOM 0 HA SER A 55 -6.884 -4.864 -0.407 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.444 -4.058 1.552 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.833 -4.253 2.602 1.00 0.00 H new ATOM 0 HG SER A 55 -6.607 -6.580 1.436 1.00 0.00 H new ATOM 884 N GLY A 56 -9.634 -4.443 1.269 1.00 0.00 N ATOM 885 CA GLY A 56 -10.958 -4.980 1.616 1.00 0.00 C ATOM 886 C GLY A 56 -11.076 -5.539 3.044 1.00 0.00 C ATOM 887 O GLY A 56 -12.177 -5.902 3.462 1.00 0.00 O ATOM 0 H GLY A 56 -9.552 -3.445 1.462 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.699 -4.191 1.488 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.210 -5.771 0.910 1.00 0.00 H new ATOM 891 N SER A 57 -9.974 -5.605 3.803 1.00 0.00 N ATOM 892 CA SER A 57 -9.932 -6.065 5.200 1.00 0.00 C ATOM 893 C SER A 57 -8.821 -5.379 6.008 1.00 0.00 C ATOM 894 O SER A 57 -7.836 -4.884 5.450 1.00 0.00 O ATOM 895 CB SER A 57 -9.741 -7.588 5.224 1.00 0.00 C ATOM 896 OG SER A 57 -9.944 -8.103 6.533 1.00 0.00 O ATOM 0 H SER A 57 -9.057 -5.331 3.451 1.00 0.00 H new ATOM 0 HA SER A 57 -10.878 -5.796 5.670 1.00 0.00 H new ATOM 0 HB2 SER A 57 -10.440 -8.057 4.532 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.737 -7.838 4.882 1.00 0.00 H new ATOM 0 HG SER A 57 -9.819 -9.075 6.525 1.00 0.00 H new ATOM 902 N ASN A 58 -8.976 -5.366 7.334 1.00 0.00 N ATOM 903 CA ASN A 58 -8.046 -4.793 8.314 1.00 0.00 C ATOM 904 C ASN A 58 -6.710 -5.582 8.393 1.00 0.00 C ATOM 905 O ASN A 58 -6.552 -6.646 7.784 1.00 0.00 O ATOM 906 CB ASN A 58 -8.805 -4.720 9.663 1.00 0.00 C ATOM 907 CG ASN A 58 -8.331 -3.610 10.591 1.00 0.00 C ATOM 908 OD1 ASN A 58 -7.150 -3.358 10.755 1.00 0.00 O ATOM 909 ND2 ASN A 58 -9.229 -2.883 11.211 1.00 0.00 N ATOM 0 H ASN A 58 -9.797 -5.777 7.778 1.00 0.00 H new ATOM 0 HA ASN A 58 -7.736 -3.792 8.016 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.867 -4.580 9.462 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.701 -5.676 10.177 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -8.935 -2.119 11.820 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -10.222 -3.081 11.084 1.00 0.00 H new ATOM 916 N TYR A 59 -5.732 -5.067 9.139 1.00 0.00 N ATOM 917 CA TYR A 59 -4.457 -5.721 9.443 1.00 0.00 C ATOM 918 C TYR A 59 -4.630 -7.013 10.264 1.00 0.00 C ATOM 919 O TYR A 59 -5.472 -7.094 11.162 1.00 0.00 O ATOM 920 CB TYR A 59 -3.546 -4.718 10.171 1.00 0.00 C ATOM 921 CG TYR A 59 -2.913 -3.721 9.221 1.00 0.00 C ATOM 922 CD1 TYR A 59 -1.874 -4.159 8.380 1.00 0.00 C ATOM 923 CD2 TYR A 59 -3.379 -2.393 9.128 1.00 0.00 C ATOM 924 CE1 TYR A 59 -1.312 -3.288 7.433 1.00 0.00 C ATOM 925 CE2 TYR A 59 -2.808 -1.512 8.186 1.00 0.00 C ATOM 926 CZ TYR A 59 -1.781 -1.963 7.327 1.00 0.00 C ATOM 927 OH TYR A 59 -1.267 -1.142 6.373 1.00 0.00 O ATOM 0 H TYR A 59 -5.809 -4.144 9.566 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.998 -6.027 8.503 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.126 -4.182 10.922 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.762 -5.260 10.700 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.506 -5.171 8.463 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.172 -2.051 9.777 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.520 -3.633 6.785 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.156 -0.492 8.121 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.512 -1.585 5.932 1.00 0.00 H new ATOM 937 N LYS A 60 -3.792 -8.016 9.968 1.00 0.00 N ATOM 938 CA LYS A 60 -3.740 -9.328 10.643 1.00 0.00 C ATOM 939 C LYS A 60 -3.251 -9.235 12.092 1.00 0.00 C ATOM 940 O LYS A 60 -3.930 -9.701 13.009 1.00 0.00 O ATOM 941 CB LYS A 60 -2.836 -10.283 9.834 1.00 0.00 C ATOM 942 CG LYS A 60 -3.556 -10.907 8.625 1.00 0.00 C ATOM 943 CD LYS A 60 -4.497 -12.066 9.005 1.00 0.00 C ATOM 944 CE LYS A 60 -3.763 -13.331 9.485 1.00 0.00 C ATOM 945 NZ LYS A 60 -3.094 -14.052 8.369 1.00 0.00 N ATOM 0 H LYS A 60 -3.102 -7.936 9.221 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.758 -9.715 10.684 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.959 -9.738 9.486 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.479 -11.078 10.488 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.131 -10.134 8.115 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.812 -11.270 7.916 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.173 -11.730 9.791 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.112 -12.320 8.142 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -3.020 -13.056 10.234 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.474 -13.999 9.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.613 -14.896 8.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.804 -14.339 7.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.396 -13.425 7.920 1.00 0.00 H new ATOM 959 N SER A 61 -2.066 -8.652 12.278 1.00 0.00 N ATOM 960 CA SER A 61 -1.339 -8.568 13.553 1.00 0.00 C ATOM 961 C SER A 61 -0.550 -7.261 13.658 1.00 0.00 C ATOM 962 O SER A 61 -0.325 -6.578 12.653 1.00 0.00 O ATOM 963 CB SER A 61 -0.360 -9.752 13.681 1.00 0.00 C ATOM 964 OG SER A 61 -1.025 -11.003 13.589 1.00 0.00 O ATOM 0 H SER A 61 -1.561 -8.205 11.513 1.00 0.00 H new ATOM 0 HA SER A 61 -2.075 -8.600 14.356 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.395 -9.684 12.898 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.163 -9.689 14.635 1.00 0.00 H new ATOM 0 HG SER A 61 -0.371 -11.728 13.673 1.00 0.00 H new ATOM 970 N LEU A 62 -0.086 -6.937 14.870 1.00 0.00 N ATOM 971 CA LEU A 62 0.728 -5.749 15.160 1.00 0.00 C ATOM 972 C LEU A 62 1.965 -5.667 14.258 1.00 0.00 C ATOM 973 O LEU A 62 2.271 -4.599 13.743 1.00 0.00 O ATOM 974 CB LEU A 62 1.161 -5.748 16.639 1.00 0.00 C ATOM 975 CG LEU A 62 0.022 -5.775 17.674 1.00 0.00 C ATOM 976 CD1 LEU A 62 0.631 -5.856 19.072 1.00 0.00 C ATOM 977 CD2 LEU A 62 -0.879 -4.540 17.585 1.00 0.00 C ATOM 0 H LEU A 62 -0.270 -7.506 15.696 1.00 0.00 H new ATOM 0 HA LEU A 62 0.109 -4.874 14.958 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.802 -6.613 16.810 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.768 -4.861 16.819 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.600 -6.646 17.465 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.166 -5.876 19.815 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.229 -6.764 19.156 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.266 -4.986 19.243 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.666 -4.609 18.336 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.285 -3.643 17.762 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.328 -4.488 16.593 1.00 0.00 H new ATOM 989 N GLU A 63 2.635 -6.799 14.019 1.00 0.00 N ATOM 990 CA GLU A 63 3.825 -6.928 13.164 1.00 0.00 C ATOM 991 C GLU A 63 3.634 -6.288 11.779 1.00 0.00 C ATOM 992 O GLU A 63 4.439 -5.455 11.360 1.00 0.00 O ATOM 993 CB GLU A 63 4.190 -8.414 13.000 1.00 0.00 C ATOM 994 CG GLU A 63 4.632 -9.077 14.312 1.00 0.00 C ATOM 995 CD GLU A 63 4.951 -10.569 14.096 1.00 0.00 C ATOM 996 OE1 GLU A 63 6.037 -10.895 13.555 1.00 0.00 O ATOM 997 OE2 GLU A 63 4.121 -11.433 14.474 1.00 0.00 O ATOM 0 H GLU A 63 2.353 -7.688 14.432 1.00 0.00 H new ATOM 0 HA GLU A 63 4.634 -6.391 13.659 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.329 -8.951 12.601 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.991 -8.506 12.266 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.512 -8.566 14.703 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.845 -8.974 15.059 1.00 0.00 H new ATOM 1004 N VAL A 64 2.555 -6.655 11.076 1.00 0.00 N ATOM 1005 CA VAL A 64 2.215 -6.114 9.748 1.00 0.00 C ATOM 1006 C VAL A 64 1.867 -4.625 9.846 1.00 0.00 C ATOM 1007 O VAL A 64 2.349 -3.823 9.046 1.00 0.00 O ATOM 1008 CB VAL A 64 1.055 -6.890 9.087 1.00 0.00 C ATOM 1009 CG1 VAL A 64 0.928 -6.520 7.604 1.00 0.00 C ATOM 1010 CG2 VAL A 64 1.245 -8.412 9.153 1.00 0.00 C ATOM 0 H VAL A 64 1.884 -7.344 11.415 1.00 0.00 H new ATOM 0 HA VAL A 64 3.095 -6.234 9.116 1.00 0.00 H new ATOM 0 HB VAL A 64 0.162 -6.611 9.646 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.105 -7.079 7.159 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.734 -5.451 7.511 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.855 -6.767 7.087 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.400 -8.905 8.673 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.166 -8.686 8.638 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.305 -8.726 10.195 1.00 0.00 H new ATOM 1020 N LEU A 65 1.069 -4.248 10.852 1.00 0.00 N ATOM 1021 CA LEU A 65 0.641 -2.870 11.106 1.00 0.00 C ATOM 1022 C LEU A 65 1.848 -1.922 11.279 1.00 0.00 C ATOM 1023 O LEU A 65 1.968 -0.928 10.564 1.00 0.00 O ATOM 1024 CB LEU A 65 -0.285 -2.857 12.342 1.00 0.00 C ATOM 1025 CG LEU A 65 -1.428 -1.821 12.332 1.00 0.00 C ATOM 1026 CD1 LEU A 65 -1.877 -1.603 13.778 1.00 0.00 C ATOM 1027 CD2 LEU A 65 -1.072 -0.455 11.751 1.00 0.00 C ATOM 0 H LEU A 65 0.694 -4.912 11.529 1.00 0.00 H new ATOM 0 HA LEU A 65 0.088 -2.498 10.244 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.724 -3.849 12.450 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.328 -2.681 13.226 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.200 -2.236 11.684 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.686 -0.873 13.802 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.227 -2.547 14.197 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.038 -1.233 14.368 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.945 0.196 11.792 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.262 -0.013 12.331 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.755 -0.572 10.715 1.00 0.00 H new ATOM 1039 N VAL A 66 2.761 -2.226 12.212 1.00 0.00 N ATOM 1040 CA VAL A 66 3.925 -1.380 12.540 1.00 0.00 C ATOM 1041 C VAL A 66 4.978 -1.352 11.430 1.00 0.00 C ATOM 1042 O VAL A 66 5.580 -0.303 11.197 1.00 0.00 O ATOM 1043 CB VAL A 66 4.552 -1.717 13.908 1.00 0.00 C ATOM 1044 CG1 VAL A 66 3.485 -1.663 15.012 1.00 0.00 C ATOM 1045 CG2 VAL A 66 5.289 -3.061 13.954 1.00 0.00 C ATOM 0 H VAL A 66 2.714 -3.078 12.770 1.00 0.00 H new ATOM 0 HA VAL A 66 3.525 -0.369 12.619 1.00 0.00 H new ATOM 0 HB VAL A 66 5.312 -0.954 14.078 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.942 -1.903 15.972 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.056 -0.662 15.055 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.699 -2.386 14.794 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.698 -3.217 14.952 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.593 -3.866 13.717 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.100 -3.056 13.226 1.00 0.00 H new ATOM 1055 N ALA A 67 5.161 -2.457 10.698 1.00 0.00 N ATOM 1056 CA ALA A 67 6.004 -2.496 9.504 1.00 0.00 C ATOM 1057 C ALA A 67 5.468 -1.557 8.408 1.00 0.00 C ATOM 1058 O ALA A 67 6.210 -0.727 7.879 1.00 0.00 O ATOM 1059 CB ALA A 67 6.109 -3.942 9.007 1.00 0.00 C ATOM 0 H ALA A 67 4.725 -3.352 10.921 1.00 0.00 H new ATOM 0 HA ALA A 67 7.001 -2.138 9.760 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.737 -3.976 8.117 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.550 -4.563 9.786 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.115 -4.316 8.764 1.00 0.00 H new ATOM 1065 N ASP A 68 4.174 -1.650 8.091 1.00 0.00 N ATOM 1066 CA ASP A 68 3.524 -0.772 7.115 1.00 0.00 C ATOM 1067 C ASP A 68 3.509 0.699 7.566 1.00 0.00 C ATOM 1068 O ASP A 68 3.690 1.580 6.726 1.00 0.00 O ATOM 1069 CB ASP A 68 2.105 -1.270 6.795 1.00 0.00 C ATOM 1070 CG ASP A 68 2.054 -2.386 5.732 1.00 0.00 C ATOM 1071 OD1 ASP A 68 3.040 -3.137 5.538 1.00 0.00 O ATOM 1072 OD2 ASP A 68 1.004 -2.492 5.053 1.00 0.00 O ATOM 0 H ASP A 68 3.546 -2.339 8.505 1.00 0.00 H new ATOM 0 HA ASP A 68 4.118 -0.812 6.202 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.644 -1.636 7.713 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.505 -0.428 6.451 1.00 0.00 H new ATOM 1077 N LEU A 69 3.369 0.985 8.868 1.00 0.00 N ATOM 1078 CA LEU A 69 3.511 2.335 9.432 1.00 0.00 C ATOM 1079 C LEU A 69 4.889 2.938 9.139 1.00 0.00 C ATOM 1080 O LEU A 69 4.960 3.972 8.472 1.00 0.00 O ATOM 1081 CB LEU A 69 3.225 2.338 10.944 1.00 0.00 C ATOM 1082 CG LEU A 69 1.733 2.342 11.312 1.00 0.00 C ATOM 1083 CD1 LEU A 69 1.574 1.969 12.784 1.00 0.00 C ATOM 1084 CD2 LEU A 69 1.111 3.728 11.103 1.00 0.00 C ATOM 0 H LEU A 69 3.151 0.276 9.568 1.00 0.00 H new ATOM 0 HA LEU A 69 2.769 2.964 8.941 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.694 1.461 11.391 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.698 3.214 11.388 1.00 0.00 H new ATOM 0 HG LEU A 69 1.228 1.622 10.668 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.516 1.971 13.048 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.988 0.975 12.954 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.104 2.694 13.402 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.055 3.697 11.372 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.625 4.456 11.731 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.210 4.017 10.057 1.00 0.00 H new ATOM 1096 N VAL A 70 5.986 2.323 9.606 1.00 0.00 N ATOM 1097 CA VAL A 70 7.336 2.877 9.362 1.00 0.00 C ATOM 1098 C VAL A 70 7.655 2.996 7.868 1.00 0.00 C ATOM 1099 O VAL A 70 8.292 3.966 7.466 1.00 0.00 O ATOM 1100 CB VAL A 70 8.473 2.142 10.100 1.00 0.00 C ATOM 1101 CG1 VAL A 70 8.260 2.163 11.616 1.00 0.00 C ATOM 1102 CG2 VAL A 70 8.688 0.690 9.665 1.00 0.00 C ATOM 0 H VAL A 70 5.972 1.457 10.146 1.00 0.00 H new ATOM 0 HA VAL A 70 7.293 3.878 9.791 1.00 0.00 H new ATOM 0 HB VAL A 70 9.368 2.699 9.823 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.079 1.636 12.106 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.232 3.195 11.965 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.317 1.672 11.858 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.507 0.256 10.238 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.777 0.118 9.843 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.933 0.661 8.603 1.00 0.00 H new ATOM 1112 N ASN A 71 7.161 2.068 7.038 1.00 0.00 N ATOM 1113 CA ASN A 71 7.254 2.111 5.577 1.00 0.00 C ATOM 1114 C ASN A 71 6.515 3.324 4.974 1.00 0.00 C ATOM 1115 O ASN A 71 7.111 4.104 4.230 1.00 0.00 O ATOM 1116 CB ASN A 71 6.733 0.779 5.015 1.00 0.00 C ATOM 1117 CG ASN A 71 6.810 0.727 3.499 1.00 0.00 C ATOM 1118 OD1 ASN A 71 7.870 0.846 2.901 1.00 0.00 O ATOM 1119 ND2 ASN A 71 5.693 0.556 2.826 1.00 0.00 N ATOM 0 H ASN A 71 6.670 1.241 7.378 1.00 0.00 H new ATOM 0 HA ASN A 71 8.298 2.241 5.292 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.313 -0.042 5.435 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.700 0.633 5.330 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.712 0.523 1.807 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.808 0.457 3.323 1.00 0.00 H new ATOM 1126 N ALA A 72 5.232 3.512 5.298 1.00 0.00 N ATOM 1127 CA ALA A 72 4.417 4.634 4.822 1.00 0.00 C ATOM 1128 C ALA A 72 4.965 6.010 5.257 1.00 0.00 C ATOM 1129 O ALA A 72 4.799 6.998 4.539 1.00 0.00 O ATOM 1130 CB ALA A 72 2.978 4.431 5.314 1.00 0.00 C ATOM 0 H ALA A 72 4.721 2.876 5.910 1.00 0.00 H new ATOM 0 HA ALA A 72 4.449 4.641 3.732 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.356 5.257 4.969 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.587 3.493 4.919 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.967 4.399 6.403 1.00 0.00 H new ATOM 1136 N GLN A 73 5.643 6.072 6.409 1.00 0.00 N ATOM 1137 CA GLN A 73 6.257 7.283 6.971 1.00 0.00 C ATOM 1138 C GLN A 73 7.743 7.485 6.584 1.00 0.00 C ATOM 1139 O GLN A 73 8.376 8.413 7.098 1.00 0.00 O ATOM 1140 CB GLN A 73 6.049 7.293 8.501 1.00 0.00 C ATOM 1141 CG GLN A 73 4.571 7.277 8.938 1.00 0.00 C ATOM 1142 CD GLN A 73 3.733 8.407 8.338 1.00 0.00 C ATOM 1143 OE1 GLN A 73 4.130 9.564 8.288 1.00 0.00 O ATOM 1144 NE2 GLN A 73 2.550 8.116 7.839 1.00 0.00 N ATOM 0 H GLN A 73 5.785 5.251 6.998 1.00 0.00 H new ATOM 0 HA GLN A 73 5.750 8.139 6.525 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.553 6.427 8.930 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.529 8.179 8.916 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.129 6.321 8.655 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.523 7.341 10.025 1.00 0.00 H new ATOM 0 HE21 GLN A 73 2.204 7.157 7.873 1.00 0.00 H new ATOM 0 HE22 GLN A 73 1.979 8.850 7.419 1.00 0.00 H new ATOM 1153 N LYS A 74 8.318 6.664 5.685 1.00 0.00 N ATOM 1154 CA LYS A 74 9.700 6.828 5.170 1.00 0.00 C ATOM 1155 C LYS A 74 9.934 8.196 4.521 1.00 0.00 C ATOM 1156 O LYS A 74 10.900 8.882 4.857 1.00 0.00 O ATOM 1157 CB LYS A 74 10.056 5.727 4.150 1.00 0.00 C ATOM 1158 CG LYS A 74 10.449 4.370 4.748 1.00 0.00 C ATOM 1159 CD LYS A 74 11.765 4.418 5.540 1.00 0.00 C ATOM 1160 CE LYS A 74 12.185 3.004 5.958 1.00 0.00 C ATOM 1161 NZ LYS A 74 13.491 3.015 6.668 1.00 0.00 N ATOM 0 H LYS A 74 7.835 5.858 5.289 1.00 0.00 H new ATOM 0 HA LYS A 74 10.348 6.747 6.043 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.202 5.579 3.490 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.879 6.083 3.531 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.650 4.024 5.403 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.542 3.639 3.945 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.547 4.872 4.932 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.643 5.045 6.423 1.00 0.00 H new ATOM 0 HE2 LYS A 74 11.421 2.572 6.604 1.00 0.00 H new ATOM 0 HE3 LYS A 74 12.254 2.367 5.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 13.748 2.044 6.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.224 3.405 6.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 13.417 3.603 7.522 1.00 0.00 H new ATOM 1175 N ASP A 75 9.063 8.575 3.589 1.00 0.00 N ATOM 1176 CA ASP A 75 9.093 9.845 2.852 1.00 0.00 C ATOM 1177 C ASP A 75 7.835 10.693 3.111 1.00 0.00 C ATOM 1178 O ASP A 75 6.803 10.186 3.562 1.00 0.00 O ATOM 1179 CB ASP A 75 9.309 9.575 1.353 1.00 0.00 C ATOM 1180 CG ASP A 75 8.072 8.974 0.660 1.00 0.00 C ATOM 1181 OD1 ASP A 75 7.875 7.737 0.731 1.00 0.00 O ATOM 1182 OD2 ASP A 75 7.306 9.736 0.022 1.00 0.00 O ATOM 0 H ASP A 75 8.281 7.982 3.311 1.00 0.00 H new ATOM 0 HA ASP A 75 9.933 10.435 3.219 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.578 10.508 0.857 1.00 0.00 H new ATOM 0 HB3 ASP A 75 10.152 8.895 1.231 1.00 0.00 H new ATOM 1187 N SER A 76 7.923 11.989 2.801 1.00 0.00 N ATOM 1188 CA SER A 76 6.863 12.983 3.031 1.00 0.00 C ATOM 1189 C SER A 76 6.767 13.971 1.862 1.00 0.00 C ATOM 1190 O SER A 76 7.783 14.349 1.272 1.00 0.00 O ATOM 1191 CB SER A 76 7.140 13.768 4.323 1.00 0.00 C ATOM 1192 OG SER A 76 7.315 12.929 5.456 1.00 0.00 O ATOM 0 H SER A 76 8.756 12.391 2.371 1.00 0.00 H new ATOM 0 HA SER A 76 5.920 12.444 3.119 1.00 0.00 H new ATOM 0 HB2 SER A 76 8.034 14.377 4.187 1.00 0.00 H new ATOM 0 HB3 SER A 76 6.313 14.453 4.510 1.00 0.00 H new ATOM 0 HG SER A 76 6.530 12.998 6.038 1.00 0.00 H new ATOM 1198 N MET A 77 5.551 14.430 1.545 1.00 0.00 N ATOM 1199 CA MET A 77 5.308 15.458 0.517 1.00 0.00 C ATOM 1200 C MET A 77 5.626 16.887 0.989 1.00 0.00 C ATOM 1201 O MET A 77 5.889 17.758 0.155 1.00 0.00 O ATOM 1202 CB MET A 77 3.851 15.378 0.034 1.00 0.00 C ATOM 1203 CG MET A 77 3.560 14.135 -0.820 1.00 0.00 C ATOM 1204 SD MET A 77 4.347 14.121 -2.459 1.00 0.00 S ATOM 1205 CE MET A 77 5.758 13.017 -2.164 1.00 0.00 C ATOM 0 H MET A 77 4.699 14.098 1.996 1.00 0.00 H new ATOM 0 HA MET A 77 5.993 15.245 -0.303 1.00 0.00 H new ATOM 0 HB2 MET A 77 3.188 15.379 0.899 1.00 0.00 H new ATOM 0 HB3 MET A 77 3.619 16.271 -0.546 1.00 0.00 H new ATOM 0 HG2 MET A 77 3.886 13.252 -0.271 1.00 0.00 H new ATOM 0 HG3 MET A 77 2.481 14.049 -0.952 1.00 0.00 H new ATOM 0 HE1 MET A 77 6.602 13.333 -2.778 1.00 0.00 H new ATOM 0 HE2 MET A 77 6.039 13.059 -1.112 1.00 0.00 H new ATOM 0 HE3 MET A 77 5.482 11.996 -2.425 1.00 0.00 H new ATOM 1215 N GLN A 78 5.625 17.151 2.303 1.00 0.00 N ATOM 1216 CA GLN A 78 6.016 18.452 2.858 1.00 0.00 C ATOM 1217 C GLN A 78 7.512 18.742 2.636 1.00 0.00 C ATOM 1218 O GLN A 78 8.363 17.863 2.800 1.00 0.00 O ATOM 1219 CB GLN A 78 5.612 18.561 4.342 1.00 0.00 C ATOM 1220 CG GLN A 78 6.408 17.682 5.326 1.00 0.00 C ATOM 1221 CD GLN A 78 5.831 17.720 6.741 1.00 0.00 C ATOM 1222 OE1 GLN A 78 5.195 18.673 7.174 1.00 0.00 O ATOM 1223 NE2 GLN A 78 6.006 16.675 7.521 1.00 0.00 N ATOM 0 H GLN A 78 5.353 16.468 3.010 1.00 0.00 H new ATOM 0 HA GLN A 78 5.471 19.225 2.316 1.00 0.00 H new ATOM 0 HB2 GLN A 78 5.715 19.601 4.650 1.00 0.00 H new ATOM 0 HB3 GLN A 78 4.556 18.305 4.430 1.00 0.00 H new ATOM 0 HG2 GLN A 78 6.414 16.653 4.967 1.00 0.00 H new ATOM 0 HG3 GLN A 78 7.445 18.017 5.351 1.00 0.00 H new ATOM 0 HE21 GLN A 78 6.532 15.869 7.183 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.616 16.671 8.463 1.00 0.00 H new ATOM 1232 N ASP A 79 7.842 19.984 2.276 1.00 0.00 N ATOM 1233 CA ASP A 79 9.226 20.470 2.217 1.00 0.00 C ATOM 1234 C ASP A 79 9.832 20.592 3.634 1.00 0.00 C ATOM 1235 O ASP A 79 9.109 20.764 4.621 1.00 0.00 O ATOM 1236 CB ASP A 79 9.240 21.817 1.472 1.00 0.00 C ATOM 1237 CG ASP A 79 10.655 22.324 1.134 1.00 0.00 C ATOM 1238 OD1 ASP A 79 11.567 21.492 0.905 1.00 0.00 O ATOM 1239 OD2 ASP A 79 10.845 23.562 1.046 1.00 0.00 O ATOM 0 H ASP A 79 7.152 20.688 2.015 1.00 0.00 H new ATOM 0 HA ASP A 79 9.847 19.756 1.675 1.00 0.00 H new ATOM 0 HB2 ASP A 79 8.669 21.717 0.549 1.00 0.00 H new ATOM 0 HB3 ASP A 79 8.732 22.564 2.081 1.00 0.00 H new ATOM 1244 N GLU A 80 11.160 20.518 3.754 1.00 0.00 N ATOM 1245 CA GLU A 80 11.863 20.762 5.024 1.00 0.00 C ATOM 1246 C GLU A 80 11.753 22.236 5.476 1.00 0.00 C ATOM 1247 O GLU A 80 11.490 23.135 4.669 1.00 0.00 O ATOM 1248 CB GLU A 80 13.324 20.283 4.934 1.00 0.00 C ATOM 1249 CG GLU A 80 14.202 21.073 3.952 1.00 0.00 C ATOM 1250 CD GLU A 80 15.620 20.473 3.875 1.00 0.00 C ATOM 1251 OE1 GLU A 80 16.454 20.752 4.772 1.00 0.00 O ATOM 1252 OE2 GLU A 80 15.919 19.721 2.914 1.00 0.00 O ATOM 0 H GLU A 80 11.780 20.288 2.978 1.00 0.00 H new ATOM 0 HA GLU A 80 11.370 20.174 5.799 1.00 0.00 H new ATOM 0 HB2 GLU A 80 13.772 20.340 5.926 1.00 0.00 H new ATOM 0 HB3 GLU A 80 13.330 19.233 4.641 1.00 0.00 H new ATOM 0 HG2 GLU A 80 13.745 21.065 2.962 1.00 0.00 H new ATOM 0 HG3 GLU A 80 14.260 22.115 4.267 1.00 0.00 H new ATOM 1259 N SER A 81 11.963 22.495 6.770 1.00 0.00 N ATOM 1260 CA SER A 81 11.832 23.830 7.377 1.00 0.00 C ATOM 1261 C SER A 81 12.902 24.092 8.445 1.00 0.00 C ATOM 1262 O SER A 81 13.468 23.159 9.024 1.00 0.00 O ATOM 1263 CB SER A 81 10.425 23.976 7.972 1.00 0.00 C ATOM 1264 OG SER A 81 10.150 25.332 8.283 1.00 0.00 O ATOM 0 H SER A 81 12.233 21.774 7.439 1.00 0.00 H new ATOM 0 HA SER A 81 11.984 24.575 6.596 1.00 0.00 H new ATOM 0 HB2 SER A 81 9.685 23.603 7.264 1.00 0.00 H new ATOM 0 HB3 SER A 81 10.340 23.367 8.872 1.00 0.00 H new ATOM 0 HG SER A 81 9.248 25.405 8.659 1.00 0.00 H new ATOM 1270 N SER A 82 13.178 25.370 8.717 1.00 0.00 N ATOM 1271 CA SER A 82 14.104 25.819 9.767 1.00 0.00 C ATOM 1272 C SER A 82 13.504 25.621 11.165 1.00 0.00 C ATOM 1273 O SER A 82 12.327 25.913 11.397 1.00 0.00 O ATOM 1274 CB SER A 82 14.449 27.302 9.576 1.00 0.00 C ATOM 1275 OG SER A 82 15.174 27.503 8.369 1.00 0.00 O ATOM 0 H SER A 82 12.755 26.142 8.202 1.00 0.00 H new ATOM 0 HA SER A 82 15.008 25.215 9.685 1.00 0.00 H new ATOM 0 HB2 SER A 82 13.533 27.893 9.558 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.039 27.654 10.422 1.00 0.00 H new ATOM 0 HG SER A 82 15.382 28.455 8.267 1.00 0.00 H new ATOM 1281 N GLN A 83 14.323 25.159 12.113 1.00 0.00 N ATOM 1282 CA GLN A 83 13.956 24.958 13.521 1.00 0.00 C ATOM 1283 C GLN A 83 15.137 25.327 14.436 1.00 0.00 C ATOM 1284 O GLN A 83 16.290 25.016 14.126 1.00 0.00 O ATOM 1285 CB GLN A 83 13.528 23.489 13.713 1.00 0.00 C ATOM 1286 CG GLN A 83 12.639 23.261 14.947 1.00 0.00 C ATOM 1287 CD GLN A 83 11.219 23.805 14.756 1.00 0.00 C ATOM 1288 OE1 GLN A 83 10.477 23.398 13.872 1.00 0.00 O ATOM 1289 NE2 GLN A 83 10.775 24.740 15.570 1.00 0.00 N ATOM 0 H GLN A 83 15.292 24.906 11.918 1.00 0.00 H new ATOM 0 HA GLN A 83 13.123 25.607 13.791 1.00 0.00 H new ATOM 0 HB2 GLN A 83 12.992 23.157 12.824 1.00 0.00 H new ATOM 0 HB3 GLN A 83 14.420 22.868 13.799 1.00 0.00 H new ATOM 0 HG2 GLN A 83 12.590 22.194 15.163 1.00 0.00 H new ATOM 0 HG3 GLN A 83 13.095 23.741 15.813 1.00 0.00 H new ATOM 0 HE21 GLN A 83 11.375 25.095 16.314 1.00 0.00 H new ATOM 0 HE22 GLN A 83 9.831 25.109 15.456 1.00 0.00 H new ATOM 1298 N THR A 84 14.861 25.982 15.569 1.00 0.00 N ATOM 1299 CA THR A 84 15.888 26.473 16.509 1.00 0.00 C ATOM 1300 C THR A 84 16.047 25.500 17.684 1.00 0.00 C ATOM 1301 O THR A 84 15.313 25.573 18.672 1.00 0.00 O ATOM 1302 CB THR A 84 15.583 27.904 16.997 1.00 0.00 C ATOM 1303 OG1 THR A 84 15.235 28.748 15.913 1.00 0.00 O ATOM 1304 CG2 THR A 84 16.811 28.545 17.643 1.00 0.00 C ATOM 0 H THR A 84 13.908 26.191 15.867 1.00 0.00 H new ATOM 0 HA THR A 84 16.836 26.520 15.974 1.00 0.00 H new ATOM 0 HB THR A 84 14.764 27.810 17.711 1.00 0.00 H new ATOM 0 HG1 THR A 84 15.045 29.649 16.248 1.00 0.00 H new ATOM 0 HG21 THR A 84 16.563 29.553 17.976 1.00 0.00 H new ATOM 0 HG22 THR A 84 17.126 27.947 18.498 1.00 0.00 H new ATOM 0 HG23 THR A 84 17.622 28.593 16.916 1.00 0.00 H new ATOM 1312 N SER A 85 16.981 24.550 17.570 1.00 0.00 N ATOM 1313 CA SER A 85 17.295 23.557 18.613 1.00 0.00 C ATOM 1314 C SER A 85 18.106 24.184 19.766 1.00 0.00 C ATOM 1315 O SER A 85 19.340 24.149 19.787 1.00 0.00 O ATOM 1316 CB SER A 85 18.016 22.352 17.989 1.00 0.00 C ATOM 1317 OG SER A 85 18.076 21.270 18.906 1.00 0.00 O ATOM 0 H SER A 85 17.555 24.444 16.733 1.00 0.00 H new ATOM 0 HA SER A 85 16.361 23.204 19.051 1.00 0.00 H new ATOM 0 HB2 SER A 85 17.495 22.039 17.084 1.00 0.00 H new ATOM 0 HB3 SER A 85 19.025 22.640 17.693 1.00 0.00 H new ATOM 0 HG SER A 85 18.537 20.513 18.489 1.00 0.00 H new ATOM 1323 N LEU A 86 17.409 24.811 20.720 1.00 0.00 N ATOM 1324 CA LEU A 86 17.977 25.503 21.888 1.00 0.00 C ATOM 1325 C LEU A 86 18.437 24.523 22.990 1.00 0.00 C ATOM 1326 O LEU A 86 17.840 24.438 24.067 1.00 0.00 O ATOM 1327 CB LEU A 86 16.956 26.538 22.417 1.00 0.00 C ATOM 1328 CG LEU A 86 16.642 27.704 21.461 1.00 0.00 C ATOM 1329 CD1 LEU A 86 15.542 28.583 22.056 1.00 0.00 C ATOM 1330 CD2 LEU A 86 17.864 28.588 21.199 1.00 0.00 C ATOM 0 H LEU A 86 16.390 24.853 20.701 1.00 0.00 H new ATOM 0 HA LEU A 86 18.879 26.028 21.573 1.00 0.00 H new ATOM 0 HB2 LEU A 86 16.026 26.020 22.649 1.00 0.00 H new ATOM 0 HB3 LEU A 86 17.333 26.949 23.353 1.00 0.00 H new ATOM 0 HG LEU A 86 16.324 27.259 20.518 1.00 0.00 H new ATOM 0 HD11 LEU A 86 15.325 29.406 21.375 1.00 0.00 H new ATOM 0 HD12 LEU A 86 14.641 27.988 22.205 1.00 0.00 H new ATOM 0 HD13 LEU A 86 15.874 28.983 23.014 1.00 0.00 H new ATOM 0 HD21 LEU A 86 17.590 29.395 20.519 1.00 0.00 H new ATOM 0 HD22 LEU A 86 18.216 29.010 22.140 1.00 0.00 H new ATOM 0 HD23 LEU A 86 18.657 27.989 20.751 1.00 0.00 H new ATOM 1342 N GLN A 87 19.514 23.777 22.728 1.00 0.00 N ATOM 1343 CA GLN A 87 20.184 22.921 23.716 1.00 0.00 C ATOM 1344 C GLN A 87 20.860 23.743 24.835 1.00 0.00 C ATOM 1345 O GLN A 87 21.671 24.636 24.564 1.00 0.00 O ATOM 1346 CB GLN A 87 21.163 21.952 23.019 1.00 0.00 C ATOM 1347 CG GLN A 87 22.268 22.599 22.164 1.00 0.00 C ATOM 1348 CD GLN A 87 23.205 21.549 21.568 1.00 0.00 C ATOM 1349 OE1 GLN A 87 22.855 20.796 20.667 1.00 0.00 O ATOM 1350 NE2 GLN A 87 24.432 21.447 22.040 1.00 0.00 N ATOM 0 H GLN A 87 19.954 23.749 21.808 1.00 0.00 H new ATOM 0 HA GLN A 87 19.422 22.318 24.210 1.00 0.00 H new ATOM 0 HB2 GLN A 87 21.638 21.336 23.783 1.00 0.00 H new ATOM 0 HB3 GLN A 87 20.586 21.281 22.382 1.00 0.00 H new ATOM 0 HG2 GLN A 87 21.814 23.180 21.361 1.00 0.00 H new ATOM 0 HG3 GLN A 87 22.842 23.295 22.776 1.00 0.00 H new ATOM 0 HE21 GLN A 87 24.743 22.064 22.790 1.00 0.00 H new ATOM 0 HE22 GLN A 87 25.070 20.751 21.655 1.00 0.00 H new ATOM 1359 N LYS A 88 20.530 23.445 26.099 1.00 0.00 N ATOM 1360 CA LYS A 88 21.177 23.982 27.316 1.00 0.00 C ATOM 1361 C LYS A 88 21.094 23.002 28.495 1.00 0.00 C ATOM 1362 O LYS A 88 20.287 22.071 28.481 1.00 0.00 O ATOM 1363 CB LYS A 88 20.617 25.386 27.647 1.00 0.00 C ATOM 1364 CG LYS A 88 19.097 25.524 27.864 1.00 0.00 C ATOM 1365 CD LYS A 88 18.611 25.107 29.260 1.00 0.00 C ATOM 1366 CE LYS A 88 17.150 25.533 29.447 1.00 0.00 C ATOM 1367 NZ LYS A 88 16.652 25.207 30.809 1.00 0.00 N ATOM 0 H LYS A 88 19.774 22.796 26.317 1.00 0.00 H new ATOM 0 HA LYS A 88 22.242 24.099 27.117 1.00 0.00 H new ATOM 0 HB2 LYS A 88 21.117 25.741 28.548 1.00 0.00 H new ATOM 0 HB3 LYS A 88 20.902 26.059 26.838 1.00 0.00 H new ATOM 0 HG2 LYS A 88 18.811 26.561 27.689 1.00 0.00 H new ATOM 0 HG3 LYS A 88 18.580 24.920 27.118 1.00 0.00 H new ATOM 0 HD2 LYS A 88 18.703 24.028 29.380 1.00 0.00 H new ATOM 0 HD3 LYS A 88 19.235 25.568 30.026 1.00 0.00 H new ATOM 0 HE2 LYS A 88 17.059 26.605 29.273 1.00 0.00 H new ATOM 0 HE3 LYS A 88 16.528 25.035 28.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 15.690 25.585 30.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 16.636 24.175 30.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 17.281 25.633 31.520 1.00 0.00 H new ATOM 1381 N GLU A 89 21.927 23.208 29.514 1.00 0.00 N ATOM 1382 CA GLU A 89 21.976 22.379 30.733 1.00 0.00 C ATOM 1383 C GLU A 89 20.972 22.855 31.805 1.00 0.00 C ATOM 1384 O GLU A 89 20.501 23.997 31.781 1.00 0.00 O ATOM 1385 CB GLU A 89 23.409 22.365 31.296 1.00 0.00 C ATOM 1386 CG GLU A 89 24.410 21.726 30.321 1.00 0.00 C ATOM 1387 CD GLU A 89 25.803 21.574 30.964 1.00 0.00 C ATOM 1388 OE1 GLU A 89 26.569 22.569 31.015 1.00 0.00 O ATOM 1389 OE2 GLU A 89 26.152 20.453 31.412 1.00 0.00 O ATOM 0 H GLU A 89 22.604 23.971 29.522 1.00 0.00 H new ATOM 0 HA GLU A 89 21.685 21.365 30.458 1.00 0.00 H new ATOM 0 HB2 GLU A 89 23.721 23.386 31.517 1.00 0.00 H new ATOM 0 HB3 GLU A 89 23.422 21.817 32.238 1.00 0.00 H new ATOM 0 HG2 GLU A 89 24.043 20.748 30.009 1.00 0.00 H new ATOM 0 HG3 GLU A 89 24.487 22.339 29.423 1.00 0.00 H new ATOM 1396 N ILE A 90 20.642 21.982 32.765 1.00 0.00 N ATOM 1397 CA ILE A 90 19.602 22.202 33.785 1.00 0.00 C ATOM 1398 C ILE A 90 20.219 22.626 35.129 1.00 0.00 C ATOM 1399 O ILE A 90 20.772 21.804 35.863 1.00 0.00 O ATOM 1400 CB ILE A 90 18.712 20.944 33.931 1.00 0.00 C ATOM 1401 CG1 ILE A 90 18.037 20.491 32.614 1.00 0.00 C ATOM 1402 CG2 ILE A 90 17.641 21.163 35.011 1.00 0.00 C ATOM 1403 CD1 ILE A 90 17.058 21.485 31.973 1.00 0.00 C ATOM 0 H ILE A 90 21.103 21.077 32.859 1.00 0.00 H new ATOM 0 HA ILE A 90 18.966 23.023 33.455 1.00 0.00 H new ATOM 0 HB ILE A 90 19.388 20.141 34.225 1.00 0.00 H new ATOM 0 HG12 ILE A 90 18.819 20.266 31.889 1.00 0.00 H new ATOM 0 HG13 ILE A 90 17.503 19.561 32.806 1.00 0.00 H new ATOM 0 HG21 ILE A 90 17.025 20.268 35.099 1.00 0.00 H new ATOM 0 HG22 ILE A 90 18.124 21.367 35.967 1.00 0.00 H new ATOM 0 HG23 ILE A 90 17.013 22.010 34.734 1.00 0.00 H new ATOM 0 HD11 ILE A 90 16.650 21.055 31.058 1.00 0.00 H new ATOM 0 HD12 ILE A 90 16.245 21.695 32.668 1.00 0.00 H new ATOM 0 HD13 ILE A 90 17.582 22.411 31.737 1.00 0.00 H new ATOM 1415 N SER A 91 20.104 23.913 35.468 1.00 0.00 N ATOM 1416 CA SER A 91 20.583 24.471 36.749 1.00 0.00 C ATOM 1417 C SER A 91 19.675 24.163 37.951 1.00 0.00 C ATOM 1418 O SER A 91 20.139 24.179 39.093 1.00 0.00 O ATOM 1419 CB SER A 91 20.740 25.993 36.640 1.00 0.00 C ATOM 1420 OG SER A 91 21.716 26.340 35.668 1.00 0.00 O ATOM 0 H SER A 91 19.673 24.609 34.860 1.00 0.00 H new ATOM 0 HA SER A 91 21.540 23.983 36.933 1.00 0.00 H new ATOM 0 HB2 SER A 91 19.783 26.442 36.375 1.00 0.00 H new ATOM 0 HB3 SER A 91 21.026 26.402 37.609 1.00 0.00 H new ATOM 0 HG SER A 91 21.795 27.316 35.617 1.00 0.00 H new ATOM 1426 N THR A 92 18.386 23.866 37.731 1.00 0.00 N ATOM 1427 CA THR A 92 17.431 23.573 38.819 1.00 0.00 C ATOM 1428 C THR A 92 17.757 22.274 39.562 1.00 0.00 C ATOM 1429 O THR A 92 17.593 22.204 40.777 1.00 0.00 O ATOM 1430 CB THR A 92 15.977 23.527 38.330 1.00 0.00 C ATOM 1431 OG1 THR A 92 15.863 22.674 37.214 1.00 0.00 O ATOM 1432 CG2 THR A 92 15.477 24.911 37.910 1.00 0.00 C ATOM 0 H THR A 92 17.974 23.821 36.799 1.00 0.00 H new ATOM 0 HA THR A 92 17.539 24.404 39.516 1.00 0.00 H new ATOM 0 HB THR A 92 15.376 23.161 39.162 1.00 0.00 H new ATOM 0 HG1 THR A 92 14.931 22.652 36.913 1.00 0.00 H new ATOM 0 HG21 THR A 92 14.444 24.837 37.570 1.00 0.00 H new ATOM 0 HG22 THR A 92 15.531 25.591 38.760 1.00 0.00 H new ATOM 0 HG23 THR A 92 16.099 25.292 37.100 1.00 0.00 H new ATOM 1440 N GLU A 93 18.295 21.263 38.875 1.00 0.00 N ATOM 1441 CA GLU A 93 18.799 20.031 39.497 1.00 0.00 C ATOM 1442 C GLU A 93 19.894 20.325 40.536 1.00 0.00 C ATOM 1443 O GLU A 93 19.855 19.791 41.645 1.00 0.00 O ATOM 1444 CB GLU A 93 19.325 19.067 38.419 1.00 0.00 C ATOM 1445 CG GLU A 93 18.181 18.428 37.613 1.00 0.00 C ATOM 1446 CD GLU A 93 18.659 17.509 36.464 1.00 0.00 C ATOM 1447 OE1 GLU A 93 19.870 17.194 36.355 1.00 0.00 O ATOM 1448 OE2 GLU A 93 17.803 17.071 35.658 1.00 0.00 O ATOM 0 H GLU A 93 18.395 21.275 37.860 1.00 0.00 H new ATOM 0 HA GLU A 93 17.968 19.559 40.021 1.00 0.00 H new ATOM 0 HB2 GLU A 93 19.989 19.606 37.743 1.00 0.00 H new ATOM 0 HB3 GLU A 93 19.918 18.284 38.891 1.00 0.00 H new ATOM 0 HG2 GLU A 93 17.552 17.849 38.290 1.00 0.00 H new ATOM 0 HG3 GLU A 93 17.557 19.219 37.197 1.00 0.00 H new ATOM 1455 N GLU A 94 20.844 21.208 40.215 1.00 0.00 N ATOM 1456 CA GLU A 94 21.939 21.597 41.112 1.00 0.00 C ATOM 1457 C GLU A 94 21.444 22.331 42.370 1.00 0.00 C ATOM 1458 O GLU A 94 21.828 21.961 43.482 1.00 0.00 O ATOM 1459 CB GLU A 94 22.978 22.454 40.367 1.00 0.00 C ATOM 1460 CG GLU A 94 23.678 21.683 39.239 1.00 0.00 C ATOM 1461 CD GLU A 94 24.781 22.540 38.586 1.00 0.00 C ATOM 1462 OE1 GLU A 94 25.839 22.767 39.222 1.00 0.00 O ATOM 1463 OE2 GLU A 94 24.609 22.984 37.423 1.00 0.00 O ATOM 0 H GLU A 94 20.876 21.680 39.312 1.00 0.00 H new ATOM 0 HA GLU A 94 22.411 20.673 41.445 1.00 0.00 H new ATOM 0 HB2 GLU A 94 22.487 23.334 39.951 1.00 0.00 H new ATOM 0 HB3 GLU A 94 23.725 22.811 41.076 1.00 0.00 H new ATOM 0 HG2 GLU A 94 24.112 20.766 39.636 1.00 0.00 H new ATOM 0 HG3 GLU A 94 22.947 21.390 38.486 1.00 0.00 H new ATOM 1470 N GLN A 95 20.585 23.352 42.227 1.00 0.00 N ATOM 1471 CA GLN A 95 20.072 24.104 43.384 1.00 0.00 C ATOM 1472 C GLN A 95 19.175 23.245 44.297 1.00 0.00 C ATOM 1473 O GLN A 95 19.281 23.334 45.522 1.00 0.00 O ATOM 1474 CB GLN A 95 19.408 25.424 42.940 1.00 0.00 C ATOM 1475 CG GLN A 95 17.985 25.276 42.378 1.00 0.00 C ATOM 1476 CD GLN A 95 17.442 26.548 41.723 1.00 0.00 C ATOM 1477 OE1 GLN A 95 18.134 27.288 41.034 1.00 0.00 O ATOM 1478 NE2 GLN A 95 16.170 26.849 41.890 1.00 0.00 N ATOM 0 H GLN A 95 20.232 23.675 41.326 1.00 0.00 H new ATOM 0 HA GLN A 95 20.926 24.377 44.003 1.00 0.00 H new ATOM 0 HB2 GLN A 95 19.378 26.103 43.792 1.00 0.00 H new ATOM 0 HB3 GLN A 95 20.036 25.892 42.182 1.00 0.00 H new ATOM 0 HG2 GLN A 95 17.976 24.469 41.645 1.00 0.00 H new ATOM 0 HG3 GLN A 95 17.315 24.980 43.185 1.00 0.00 H new ATOM 0 HE21 GLN A 95 15.574 26.248 42.459 1.00 0.00 H new ATOM 0 HE22 GLN A 95 15.781 27.683 41.450 1.00 0.00 H new ATOM 1487 N LEU A 96 18.343 22.360 43.728 1.00 0.00 N ATOM 1488 CA LEU A 96 17.528 21.404 44.491 1.00 0.00 C ATOM 1489 C LEU A 96 18.397 20.378 45.240 1.00 0.00 C ATOM 1490 O LEU A 96 18.132 20.090 46.409 1.00 0.00 O ATOM 1491 CB LEU A 96 16.509 20.715 43.562 1.00 0.00 C ATOM 1492 CG LEU A 96 15.396 21.645 43.032 1.00 0.00 C ATOM 1493 CD1 LEU A 96 14.548 20.899 42.002 1.00 0.00 C ATOM 1494 CD2 LEU A 96 14.462 22.148 44.135 1.00 0.00 C ATOM 0 H LEU A 96 18.216 22.287 42.719 1.00 0.00 H new ATOM 0 HA LEU A 96 16.979 21.959 45.252 1.00 0.00 H new ATOM 0 HB2 LEU A 96 17.042 20.286 42.713 1.00 0.00 H new ATOM 0 HB3 LEU A 96 16.048 19.887 44.100 1.00 0.00 H new ATOM 0 HG LEU A 96 15.898 22.506 42.591 1.00 0.00 H new ATOM 0 HD11 LEU A 96 13.764 21.558 41.630 1.00 0.00 H new ATOM 0 HD12 LEU A 96 15.179 20.582 41.172 1.00 0.00 H new ATOM 0 HD13 LEU A 96 14.095 20.024 42.468 1.00 0.00 H new ATOM 0 HD21 LEU A 96 13.702 22.797 43.700 1.00 0.00 H new ATOM 0 HD22 LEU A 96 13.981 21.299 44.620 1.00 0.00 H new ATOM 0 HD23 LEU A 96 15.038 22.708 44.872 1.00 0.00 H new ATOM 1506 N ARG A 97 19.473 19.876 44.614 1.00 0.00 N ATOM 1507 CA ARG A 97 20.466 18.977 45.237 1.00 0.00 C ATOM 1508 C ARG A 97 21.273 19.634 46.370 1.00 0.00 C ATOM 1509 O ARG A 97 21.825 18.918 47.205 1.00 0.00 O ATOM 1510 CB ARG A 97 21.380 18.401 44.138 1.00 0.00 C ATOM 1511 CG ARG A 97 22.255 17.225 44.607 1.00 0.00 C ATOM 1512 CD ARG A 97 23.071 16.627 43.454 1.00 0.00 C ATOM 1513 NE ARG A 97 24.129 17.550 42.994 1.00 0.00 N ATOM 1514 CZ ARG A 97 24.859 17.444 41.897 1.00 0.00 C ATOM 1515 NH1 ARG A 97 24.702 16.464 41.053 1.00 0.00 N ATOM 1516 NH2 ARG A 97 25.773 18.331 41.626 1.00 0.00 N ATOM 0 H ARG A 97 19.684 20.087 43.639 1.00 0.00 H new ATOM 0 HA ARG A 97 19.921 18.168 45.724 1.00 0.00 H new ATOM 0 HB2 ARG A 97 20.763 18.071 43.302 1.00 0.00 H new ATOM 0 HB3 ARG A 97 22.026 19.195 43.764 1.00 0.00 H new ATOM 0 HG2 ARG A 97 22.930 17.565 45.392 1.00 0.00 H new ATOM 0 HG3 ARG A 97 21.622 16.452 45.043 1.00 0.00 H new ATOM 0 HD2 ARG A 97 23.522 15.689 43.777 1.00 0.00 H new ATOM 0 HD3 ARG A 97 22.407 16.392 42.622 1.00 0.00 H new ATOM 0 HE ARG A 97 24.317 18.358 43.588 1.00 0.00 H new ATOM 0 HH11 ARG A 97 23.998 15.747 41.229 1.00 0.00 H new ATOM 0 HH12 ARG A 97 25.283 16.414 40.216 1.00 0.00 H new ATOM 0 HH21 ARG A 97 25.929 19.113 42.262 1.00 0.00 H new ATOM 0 HH22 ARG A 97 26.333 18.244 40.778 1.00 0.00 H new ATOM 1530 N ARG A 98 21.315 20.971 46.454 1.00 0.00 N ATOM 1531 CA ARG A 98 21.872 21.699 47.611 1.00 0.00 C ATOM 1532 C ARG A 98 20.908 21.697 48.804 1.00 0.00 C ATOM 1533 O ARG A 98 21.301 21.303 49.902 1.00 0.00 O ATOM 1534 CB ARG A 98 22.286 23.128 47.200 1.00 0.00 C ATOM 1535 CG ARG A 98 23.154 23.851 48.247 1.00 0.00 C ATOM 1536 CD ARG A 98 24.536 23.203 48.418 1.00 0.00 C ATOM 1537 NE ARG A 98 25.361 23.916 49.413 1.00 0.00 N ATOM 1538 CZ ARG A 98 26.562 23.562 49.840 1.00 0.00 C ATOM 1539 NH1 ARG A 98 27.180 22.512 49.376 1.00 0.00 N ATOM 1540 NH2 ARG A 98 27.174 24.263 50.753 1.00 0.00 N ATOM 0 H ARG A 98 20.963 21.584 45.719 1.00 0.00 H new ATOM 0 HA ARG A 98 22.769 21.175 47.942 1.00 0.00 H new ATOM 0 HB2 ARG A 98 22.833 23.081 46.259 1.00 0.00 H new ATOM 0 HB3 ARG A 98 21.388 23.718 47.017 1.00 0.00 H new ATOM 0 HG2 ARG A 98 23.279 24.893 47.953 1.00 0.00 H new ATOM 0 HG3 ARG A 98 22.636 23.851 49.206 1.00 0.00 H new ATOM 0 HD2 ARG A 98 24.414 22.164 48.725 1.00 0.00 H new ATOM 0 HD3 ARG A 98 25.053 23.193 47.458 1.00 0.00 H new ATOM 0 HE ARG A 98 24.965 24.767 49.811 1.00 0.00 H new ATOM 0 HH11 ARG A 98 26.738 21.934 48.661 1.00 0.00 H new ATOM 0 HH12 ARG A 98 28.106 22.268 49.728 1.00 0.00 H new ATOM 0 HH21 ARG A 98 26.727 25.092 51.144 1.00 0.00 H new ATOM 0 HH22 ARG A 98 28.100 23.982 51.076 1.00 0.00 H new ATOM 1554 N LEU A 99 19.662 22.143 48.602 1.00 0.00 N ATOM 1555 CA LEU A 99 18.664 22.311 49.674 1.00 0.00 C ATOM 1556 C LEU A 99 18.029 21.000 50.180 1.00 0.00 C ATOM 1557 O LEU A 99 17.819 20.865 51.385 1.00 0.00 O ATOM 1558 CB LEU A 99 17.637 23.397 49.280 1.00 0.00 C ATOM 1559 CG LEU A 99 16.834 23.189 47.977 1.00 0.00 C ATOM 1560 CD1 LEU A 99 15.519 22.434 48.183 1.00 0.00 C ATOM 1561 CD2 LEU A 99 16.481 24.543 47.360 1.00 0.00 C ATOM 0 H LEU A 99 19.311 22.401 47.680 1.00 0.00 H new ATOM 0 HA LEU A 99 19.202 22.663 50.554 1.00 0.00 H new ATOM 0 HB2 LEU A 99 16.925 23.498 50.099 1.00 0.00 H new ATOM 0 HB3 LEU A 99 18.167 24.346 49.199 1.00 0.00 H new ATOM 0 HG LEU A 99 17.478 22.595 47.328 1.00 0.00 H new ATOM 0 HD11 LEU A 99 15.009 22.325 47.226 1.00 0.00 H new ATOM 0 HD12 LEU A 99 15.727 21.448 48.598 1.00 0.00 H new ATOM 0 HD13 LEU A 99 14.884 22.991 48.872 1.00 0.00 H new ATOM 0 HD21 LEU A 99 15.915 24.388 46.442 1.00 0.00 H new ATOM 0 HD22 LEU A 99 15.880 25.118 48.064 1.00 0.00 H new ATOM 0 HD23 LEU A 99 17.397 25.090 47.134 1.00 0.00 H new ATOM 1573 N GLN A 100 17.770 20.025 49.296 1.00 0.00 N ATOM 1574 CA GLN A 100 17.236 18.673 49.578 1.00 0.00 C ATOM 1575 C GLN A 100 15.995 18.607 50.509 1.00 0.00 C ATOM 1576 O GLN A 100 15.741 17.581 51.147 1.00 0.00 O ATOM 1577 CB GLN A 100 18.383 17.752 50.048 1.00 0.00 C ATOM 1578 CG GLN A 100 19.464 17.576 48.971 1.00 0.00 C ATOM 1579 CD GLN A 100 20.631 16.707 49.443 1.00 0.00 C ATOM 1580 OE1 GLN A 100 21.255 16.946 50.472 1.00 0.00 O ATOM 1581 NE2 GLN A 100 20.977 15.657 48.726 1.00 0.00 N ATOM 0 H GLN A 100 17.937 20.163 48.299 1.00 0.00 H new ATOM 0 HA GLN A 100 16.833 18.310 48.633 1.00 0.00 H new ATOM 0 HB2 GLN A 100 18.834 18.168 50.949 1.00 0.00 H new ATOM 0 HB3 GLN A 100 17.977 16.777 50.316 1.00 0.00 H new ATOM 0 HG2 GLN A 100 19.018 17.127 48.084 1.00 0.00 H new ATOM 0 HG3 GLN A 100 19.841 18.555 48.677 1.00 0.00 H new ATOM 0 HE21 GLN A 100 20.473 15.438 47.867 1.00 0.00 H new ATOM 0 HE22 GLN A 100 21.749 15.063 49.030 1.00 0.00 H new ATOM 1590 N GLU A 101 15.204 19.681 50.590 1.00 0.00 N ATOM 1591 CA GLU A 101 14.029 19.833 51.463 1.00 0.00 C ATOM 1592 C GLU A 101 12.748 20.072 50.636 1.00 0.00 C ATOM 1593 O GLU A 101 12.805 20.459 49.466 1.00 0.00 O ATOM 1594 CB GLU A 101 14.297 21.003 52.437 1.00 0.00 C ATOM 1595 CG GLU A 101 13.505 20.957 53.753 1.00 0.00 C ATOM 1596 CD GLU A 101 14.177 20.044 54.801 1.00 0.00 C ATOM 1597 OE1 GLU A 101 14.114 18.799 54.665 1.00 0.00 O ATOM 1598 OE2 GLU A 101 14.761 20.568 55.783 1.00 0.00 O ATOM 0 H GLU A 101 15.371 20.511 50.021 1.00 0.00 H new ATOM 0 HA GLU A 101 13.868 18.916 52.029 1.00 0.00 H new ATOM 0 HB2 GLU A 101 15.361 21.021 52.673 1.00 0.00 H new ATOM 0 HB3 GLU A 101 14.068 21.939 51.927 1.00 0.00 H new ATOM 0 HG2 GLU A 101 13.413 21.965 54.156 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.494 20.600 53.556 1.00 0.00 H new ATOM 1605 N GLU A 102 11.573 19.870 51.235 1.00 0.00 N ATOM 1606 CA GLU A 102 10.262 20.122 50.618 1.00 0.00 C ATOM 1607 C GLU A 102 9.987 21.633 50.448 1.00 0.00 C ATOM 1608 O GLU A 102 9.498 22.305 51.363 1.00 0.00 O ATOM 1609 CB GLU A 102 9.142 19.444 51.431 1.00 0.00 C ATOM 1610 CG GLU A 102 9.045 17.924 51.220 1.00 0.00 C ATOM 1611 CD GLU A 102 10.272 17.142 51.733 1.00 0.00 C ATOM 1612 OE1 GLU A 102 10.563 17.192 52.953 1.00 0.00 O ATOM 1613 OE2 GLU A 102 10.940 16.453 50.923 1.00 0.00 O ATOM 0 H GLU A 102 11.501 19.517 52.189 1.00 0.00 H new ATOM 0 HA GLU A 102 10.278 19.685 49.620 1.00 0.00 H new ATOM 0 HB2 GLU A 102 9.305 19.643 52.490 1.00 0.00 H new ATOM 0 HB3 GLU A 102 8.188 19.899 51.164 1.00 0.00 H new ATOM 0 HG2 GLU A 102 8.153 17.553 51.725 1.00 0.00 H new ATOM 0 HG3 GLU A 102 8.916 17.722 50.157 1.00 0.00 H new ATOM 1620 N LYS A 103 10.299 22.172 49.260 1.00 0.00 N ATOM 1621 CA LYS A 103 9.899 23.515 48.798 1.00 0.00 C ATOM 1622 C LYS A 103 8.372 23.675 48.636 1.00 0.00 C ATOM 1623 O LYS A 103 7.615 22.703 48.738 1.00 0.00 O ATOM 1624 CB LYS A 103 10.651 23.855 47.493 1.00 0.00 C ATOM 1625 CG LYS A 103 10.300 22.931 46.308 1.00 0.00 C ATOM 1626 CD LYS A 103 10.885 23.427 44.976 1.00 0.00 C ATOM 1627 CE LYS A 103 10.213 24.692 44.415 1.00 0.00 C ATOM 1628 NZ LYS A 103 8.811 24.455 43.981 1.00 0.00 N ATOM 0 H LYS A 103 10.856 21.670 48.569 1.00 0.00 H new ATOM 0 HA LYS A 103 10.180 24.228 49.573 1.00 0.00 H new ATOM 0 HB2 LYS A 103 10.429 24.885 47.215 1.00 0.00 H new ATOM 0 HB3 LYS A 103 11.724 23.799 47.679 1.00 0.00 H new ATOM 0 HG2 LYS A 103 10.673 21.927 46.512 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.216 22.857 46.219 1.00 0.00 H new ATOM 0 HD2 LYS A 103 11.948 23.626 45.112 1.00 0.00 H new ATOM 0 HD3 LYS A 103 10.802 22.629 44.238 1.00 0.00 H new ATOM 0 HE2 LYS A 103 10.226 25.473 45.176 1.00 0.00 H new ATOM 0 HE3 LYS A 103 10.793 25.061 43.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 8.492 25.248 43.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 8.762 23.572 43.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 8.197 24.379 44.817 1.00 0.00 H new ATOM 1642 N LEU A 104 7.932 24.907 48.345 1.00 0.00 N ATOM 1643 CA LEU A 104 6.546 25.276 48.004 1.00 0.00 C ATOM 1644 C LEU A 104 5.996 24.447 46.822 1.00 0.00 C ATOM 1645 O LEU A 104 4.853 23.948 46.921 1.00 0.00 O ATOM 1646 CB LEU A 104 6.497 26.800 47.723 1.00 0.00 C ATOM 1647 CG LEU A 104 5.082 27.406 47.755 1.00 0.00 C ATOM 1648 CD1 LEU A 104 4.574 27.519 49.196 1.00 0.00 C ATOM 1649 CD2 LEU A 104 5.102 28.787 47.098 1.00 0.00 C ATOM 1650 OXT LEU A 104 6.718 24.316 45.804 1.00 0.00 O ATOM 0 H LEU A 104 8.559 25.712 48.340 1.00 0.00 H new ATOM 0 HA LEU A 104 5.895 25.045 48.847 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.116 27.313 48.459 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.939 26.992 46.745 1.00 0.00 H new ATOM 0 HG LEU A 104 4.407 26.751 47.204 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.573 27.950 49.196 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.543 26.528 49.650 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.244 28.160 49.769 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.100 29.215 47.121 1.00 0.00 H new ATOM 0 HD22 LEU A 104 5.788 29.438 47.640 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.433 28.693 46.064 1.00 0.00 H new TER 1662 LEU A 104