USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 960 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 15 HIS : no HD1:sc= -1.06 K(o=-1,f=-2.1) USER MOD Set 1.2: A 89 THR OG1 : rot 180:sc= 0.0232 USER MOD Set 2.1: A 74 ASN : amide:sc= -2.58! K(o=-2.6!,f=-0.89) USER MOD Set 2.2: A 77 ASN : amide:sc= -0.0558 K(o=-2.6,f=-4.7) USER MOD Set 3.1: A 51 THR OG1 : rot -36:sc= 0.282 USER MOD Set 3.2: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 24 SER OG : rot 180:sc= -0.239 USER MOD Set 4.2: A 27 ASN : amide:sc= -3.12! K(o=-3.4!,f=-0.27) USER MOD Set 5.1: A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 39 ASN : amide:sc= -2.91! C(o=-2.9!,f=-2.4!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -150:sc= -11.6! (180deg=-14.4!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.0486 X(o=-0.049,f=-0.43) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot -94:sc= -1.63! USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 43 THR OG1 : rot 180:sc=-0.00578 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 37:sc= 0.523 USER MOD Single : A 57 GLN : amide:sc= -2.33! C(o=-2.3!,f=-1.6!) USER MOD Single : A 59 ASN : amide:sc= -3.82! C(o=-3.8!,f=-7!) USER MOD Single : A 60 SER OG : rot -116:sc= 0.508 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0948 USER MOD Single : A 72 SER OG : rot -103:sc= 0.158 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= -0.344 USER MOD Single : A 93 ASN : amide:sc= -0.0873 X(o=-0.087,f=0.2) USER MOD Single : A 96 LYS NZ :NH3+ 169:sc= 0.00854 (180deg=0.00353) USER MOD Single : A 97 LYS NZ :NH3+ 160:sc= 0.00342 (180deg=0) USER MOD Single : A 100 SER OG : rot -170:sc= -0.118 USER MOD Single : A 103 ASN : amide:sc= -5.73! C(o=-5.7!,f=-5.8!) USER MOD Single : A 105 MET CE :methyl -134:sc= -0.911 (180deg=-3.01) USER MOD Single : A 106 ASN : amide:sc= -0.326 X(o=-0.33,f=-0.03) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0291) USER MOD Single : A 118 THR OG1 : rot -63:sc= 0.819 USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.301 -9.703 0.905 1.00 0.00 N ATOM 2 CA LYS A 1 -6.018 -10.377 0.575 1.00 0.00 C ATOM 3 C LYS A 1 -4.853 -9.393 0.609 1.00 0.00 C ATOM 4 O LYS A 1 -4.848 -8.397 -0.115 1.00 0.00 O ATOM 5 CB LYS A 1 -6.139 -11.004 -0.814 1.00 0.00 C ATOM 6 CG LYS A 1 -5.219 -12.195 -1.028 1.00 0.00 C ATOM 7 CD LYS A 1 -4.209 -11.927 -2.131 1.00 0.00 C ATOM 8 CE LYS A 1 -3.312 -13.132 -2.370 1.00 0.00 C ATOM 9 NZ LYS A 1 -3.978 -14.160 -3.218 1.00 0.00 N ATOM 0 H1 LYS A 1 -8.075 -10.396 0.874 1.00 0.00 H new ATOM 0 H2 LYS A 1 -7.242 -9.292 1.859 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.485 -8.948 0.213 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.818 -11.148 1.319 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.170 -11.320 -0.972 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -5.919 -10.246 -1.566 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -4.694 -12.422 -0.100 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -5.812 -13.073 -1.282 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -4.733 -11.674 -3.052 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -3.598 -11.064 -1.865 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -2.389 -12.808 -2.850 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -3.035 -13.574 -1.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -3.334 -14.965 -3.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -4.846 -14.488 -2.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -4.219 -13.746 -4.141 1.00 0.00 H new ATOM 25 N VAL A 2 -3.868 -9.679 1.454 1.00 0.00 N ATOM 26 CA VAL A 2 -2.697 -8.819 1.582 1.00 0.00 C ATOM 27 C VAL A 2 -1.446 -9.506 1.044 1.00 0.00 C ATOM 28 O VAL A 2 -1.097 -10.602 1.483 1.00 0.00 O ATOM 29 CB VAL A 2 -2.443 -8.418 3.051 1.00 0.00 C ATOM 30 CG1 VAL A 2 -1.139 -7.648 3.185 1.00 0.00 C ATOM 31 CG2 VAL A 2 -3.596 -7.591 3.593 1.00 0.00 C ATOM 0 H VAL A 2 -3.857 -10.499 2.060 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.906 -7.924 0.996 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.367 -9.334 3.637 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.982 -7.377 4.229 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.312 -8.271 2.844 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.186 -6.744 2.578 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.394 -7.320 4.629 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.706 -6.685 2.996 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.516 -8.173 3.543 1.00 0.00 H new ATOM 41 N PHE A 3 -0.755 -8.847 0.116 1.00 0.00 N ATOM 42 CA PHE A 3 0.473 -9.395 -0.440 1.00 0.00 C ATOM 43 C PHE A 3 1.573 -9.370 0.610 1.00 0.00 C ATOM 44 O PHE A 3 1.385 -8.851 1.711 1.00 0.00 O ATOM 45 CB PHE A 3 0.941 -8.576 -1.645 1.00 0.00 C ATOM 46 CG PHE A 3 0.024 -8.606 -2.832 1.00 0.00 C ATOM 47 CD1 PHE A 3 -0.905 -9.619 -3.001 1.00 0.00 C ATOM 48 CD2 PHE A 3 0.107 -7.612 -3.791 1.00 0.00 C ATOM 49 CE1 PHE A 3 -1.733 -9.638 -4.107 1.00 0.00 C ATOM 50 CE2 PHE A 3 -0.716 -7.624 -4.894 1.00 0.00 C ATOM 51 CZ PHE A 3 -1.637 -8.637 -5.055 1.00 0.00 C ATOM 0 H PHE A 3 -1.025 -7.939 -0.263 1.00 0.00 H new ATOM 0 HA PHE A 3 0.269 -10.419 -0.754 1.00 0.00 H new ATOM 0 HB2 PHE A 3 1.070 -7.540 -1.332 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.921 -8.940 -1.954 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -0.983 -10.402 -2.261 1.00 0.00 H new ATOM 0 HD2 PHE A 3 0.827 -6.816 -3.672 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -2.453 -10.433 -4.230 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -0.640 -6.840 -5.633 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.283 -8.648 -5.921 1.00 0.00 H new ATOM 61 N GLY A 4 2.729 -9.909 0.254 1.00 0.00 N ATOM 62 CA GLY A 4 3.855 -9.913 1.163 1.00 0.00 C ATOM 63 C GLY A 4 4.794 -8.760 0.877 1.00 0.00 C ATOM 64 O GLY A 4 4.368 -7.723 0.370 1.00 0.00 O ATOM 0 H GLY A 4 2.907 -10.345 -0.651 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.497 -9.847 2.190 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.395 -10.856 1.073 1.00 0.00 H new ATOM 68 N ARG A 5 6.072 -8.935 1.185 1.00 0.00 N ATOM 69 CA ARG A 5 7.055 -7.887 0.938 1.00 0.00 C ATOM 70 C ARG A 5 7.667 -8.035 -0.443 1.00 0.00 C ATOM 71 O ARG A 5 7.615 -7.108 -1.252 1.00 0.00 O ATOM 72 CB ARG A 5 8.149 -7.907 2.009 1.00 0.00 C ATOM 73 CG ARG A 5 8.598 -9.308 2.399 1.00 0.00 C ATOM 74 CD ARG A 5 9.143 -9.342 3.817 1.00 0.00 C ATOM 75 NE ARG A 5 10.268 -8.427 3.993 1.00 0.00 N ATOM 76 CZ ARG A 5 11.508 -8.698 3.601 1.00 0.00 C ATOM 77 NH1 ARG A 5 11.784 -9.854 3.012 1.00 0.00 N ATOM 78 NH2 ARG A 5 12.476 -7.813 3.798 1.00 0.00 N ATOM 0 H ARG A 5 6.451 -9.785 1.603 1.00 0.00 H new ATOM 0 HA ARG A 5 6.541 -6.927 0.985 1.00 0.00 H new ATOM 0 HB2 ARG A 5 9.011 -7.347 1.646 1.00 0.00 H new ATOM 0 HB3 ARG A 5 7.785 -7.391 2.898 1.00 0.00 H new ATOM 0 HG2 ARG A 5 7.758 -9.998 2.314 1.00 0.00 H new ATOM 0 HG3 ARG A 5 9.365 -9.652 1.705 1.00 0.00 H new ATOM 0 HD2 ARG A 5 8.349 -9.080 4.517 1.00 0.00 H new ATOM 0 HD3 ARG A 5 9.459 -10.356 4.060 1.00 0.00 H new ATOM 0 HE ARG A 5 10.091 -7.529 4.443 1.00 0.00 H new ATOM 0 HH11 ARG A 5 11.043 -10.538 2.859 1.00 0.00 H new ATOM 0 HH12 ARG A 5 12.737 -10.059 2.712 1.00 0.00 H new ATOM 0 HH21 ARG A 5 12.269 -6.923 4.251 1.00 0.00 H new ATOM 0 HH22 ARG A 5 13.428 -8.022 3.496 1.00 0.00 H new ATOM 92 N CYS A 6 8.246 -9.194 -0.717 1.00 0.00 N ATOM 93 CA CYS A 6 8.857 -9.430 -2.013 1.00 0.00 C ATOM 94 C CYS A 6 7.834 -9.924 -3.020 1.00 0.00 C ATOM 95 O CYS A 6 7.896 -9.558 -4.186 1.00 0.00 O ATOM 96 CB CYS A 6 10.000 -10.424 -1.910 1.00 0.00 C ATOM 97 SG CYS A 6 11.066 -10.189 -0.452 1.00 0.00 S ATOM 0 H CYS A 6 8.305 -9.977 -0.066 1.00 0.00 H new ATOM 0 HA CYS A 6 9.256 -8.476 -2.359 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.588 -11.433 -1.886 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.612 -10.351 -2.809 1.00 0.00 H new ATOM 102 N GLU A 7 6.889 -10.745 -2.572 1.00 0.00 N ATOM 103 CA GLU A 7 5.858 -11.253 -3.469 1.00 0.00 C ATOM 104 C GLU A 7 5.312 -10.098 -4.296 1.00 0.00 C ATOM 105 O GLU A 7 5.278 -10.150 -5.528 1.00 0.00 O ATOM 106 CB GLU A 7 4.731 -11.917 -2.677 1.00 0.00 C ATOM 107 CG GLU A 7 5.122 -13.254 -2.068 1.00 0.00 C ATOM 108 CD GLU A 7 4.288 -14.403 -2.601 1.00 0.00 C ATOM 109 OE1 GLU A 7 3.069 -14.427 -2.332 1.00 0.00 O ATOM 110 OE2 GLU A 7 4.855 -15.279 -3.288 1.00 0.00 O ATOM 0 H GLU A 7 6.816 -11.069 -1.607 1.00 0.00 H new ATOM 0 HA GLU A 7 6.292 -12.005 -4.128 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.412 -11.244 -1.881 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.874 -12.063 -3.334 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.175 -13.448 -2.273 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.012 -13.202 -0.985 1.00 0.00 H new ATOM 117 N LEU A 8 4.920 -9.041 -3.599 1.00 0.00 N ATOM 118 CA LEU A 8 4.408 -7.849 -4.246 1.00 0.00 C ATOM 119 C LEU A 8 5.504 -7.185 -5.074 1.00 0.00 C ATOM 120 O LEU A 8 5.245 -6.728 -6.184 1.00 0.00 O ATOM 121 CB LEU A 8 3.863 -6.867 -3.199 1.00 0.00 C ATOM 122 CG LEU A 8 3.264 -5.560 -3.744 1.00 0.00 C ATOM 123 CD1 LEU A 8 4.329 -4.479 -3.836 1.00 0.00 C ATOM 124 CD2 LEU A 8 2.606 -5.776 -5.102 1.00 0.00 C ATOM 0 H LEU A 8 4.948 -8.988 -2.581 1.00 0.00 H new ATOM 0 HA LEU A 8 3.594 -8.136 -4.911 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.097 -7.378 -2.615 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.671 -6.614 -2.513 1.00 0.00 H new ATOM 0 HG LEU A 8 2.494 -5.232 -3.046 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.885 -3.562 -4.224 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.743 -4.291 -2.845 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.124 -4.808 -4.505 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.192 -4.833 -5.460 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.349 -6.139 -5.812 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.806 -6.510 -5.006 1.00 0.00 H new ATOM 136 N ALA A 9 6.732 -7.141 -4.536 1.00 0.00 N ATOM 137 CA ALA A 9 7.846 -6.524 -5.251 1.00 0.00 C ATOM 138 C ALA A 9 8.094 -7.212 -6.586 1.00 0.00 C ATOM 139 O ALA A 9 8.162 -6.555 -7.623 1.00 0.00 O ATOM 140 CB ALA A 9 9.105 -6.534 -4.406 1.00 0.00 C ATOM 0 H ALA A 9 6.972 -7.521 -3.620 1.00 0.00 H new ATOM 0 HA ALA A 9 7.575 -5.487 -5.451 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.920 -6.069 -4.961 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.930 -5.978 -3.485 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.372 -7.563 -4.163 1.00 0.00 H new ATOM 146 N ALA A 10 8.218 -8.536 -6.563 1.00 0.00 N ATOM 147 CA ALA A 10 8.438 -9.296 -7.781 1.00 0.00 C ATOM 148 C ALA A 10 7.393 -8.913 -8.811 1.00 0.00 C ATOM 149 O ALA A 10 7.692 -8.772 -9.997 1.00 0.00 O ATOM 150 CB ALA A 10 8.389 -10.790 -7.494 1.00 0.00 C ATOM 0 H ALA A 10 8.169 -9.100 -5.715 1.00 0.00 H new ATOM 0 HA ALA A 10 9.427 -9.063 -8.175 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.556 -11.344 -8.418 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.164 -11.047 -6.772 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.412 -11.050 -7.086 1.00 0.00 H new ATOM 156 N ALA A 11 6.162 -8.721 -8.341 1.00 0.00 N ATOM 157 CA ALA A 11 5.075 -8.326 -9.220 1.00 0.00 C ATOM 158 C ALA A 11 5.358 -6.964 -9.815 1.00 0.00 C ATOM 159 O ALA A 11 5.069 -6.696 -10.981 1.00 0.00 O ATOM 160 CB ALA A 11 3.748 -8.331 -8.477 1.00 0.00 C ATOM 0 H ALA A 11 5.898 -8.833 -7.362 1.00 0.00 H new ATOM 0 HA ALA A 11 5.002 -9.050 -10.031 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.950 -8.032 -9.156 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.546 -9.333 -8.099 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.796 -7.631 -7.643 1.00 0.00 H new ATOM 166 N MET A 12 5.937 -6.119 -8.993 1.00 0.00 N ATOM 167 CA MET A 12 6.298 -4.762 -9.405 1.00 0.00 C ATOM 168 C MET A 12 7.318 -4.807 -10.531 1.00 0.00 C ATOM 169 O MET A 12 7.158 -4.146 -11.558 1.00 0.00 O ATOM 170 CB MET A 12 6.887 -3.973 -8.238 1.00 0.00 C ATOM 171 CG MET A 12 6.153 -4.169 -6.927 1.00 0.00 C ATOM 172 SD MET A 12 4.574 -3.306 -6.885 1.00 0.00 S ATOM 173 CE MET A 12 5.083 -1.687 -7.448 1.00 0.00 C ATOM 0 H MET A 12 6.174 -6.340 -8.026 1.00 0.00 H new ATOM 0 HA MET A 12 5.389 -4.268 -9.747 1.00 0.00 H new ATOM 0 HB2 MET A 12 7.929 -4.264 -8.106 1.00 0.00 H new ATOM 0 HB3 MET A 12 6.881 -2.913 -8.490 1.00 0.00 H new ATOM 0 HG2 MET A 12 5.986 -5.234 -6.764 1.00 0.00 H new ATOM 0 HG3 MET A 12 6.779 -3.815 -6.108 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.438 -0.928 -7.005 1.00 0.00 H new ATOM 0 HE2 MET A 12 6.115 -1.505 -7.148 1.00 0.00 H new ATOM 0 HE3 MET A 12 5.007 -1.639 -8.534 1.00 0.00 H new ATOM 183 N LYS A 13 8.370 -5.595 -10.323 1.00 0.00 N ATOM 184 CA LYS A 13 9.429 -5.738 -11.314 1.00 0.00 C ATOM 185 C LYS A 13 8.832 -6.071 -12.670 1.00 0.00 C ATOM 186 O LYS A 13 9.139 -5.427 -13.673 1.00 0.00 O ATOM 187 CB LYS A 13 10.414 -6.829 -10.890 1.00 0.00 C ATOM 188 CG LYS A 13 11.764 -6.731 -11.582 1.00 0.00 C ATOM 189 CD LYS A 13 12.338 -8.106 -11.880 1.00 0.00 C ATOM 190 CE LYS A 13 13.834 -8.041 -12.143 1.00 0.00 C ATOM 191 NZ LYS A 13 14.286 -9.128 -13.055 1.00 0.00 N ATOM 0 H LYS A 13 8.510 -6.144 -9.475 1.00 0.00 H new ATOM 0 HA LYS A 13 9.968 -4.793 -11.387 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.563 -6.774 -9.812 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.976 -7.805 -11.102 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.658 -6.171 -12.511 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.458 -6.175 -10.952 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.144 -8.772 -11.039 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.833 -8.532 -12.747 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.084 -7.074 -12.579 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.372 -8.113 -11.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.311 -9.048 -13.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.071 -10.051 -12.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 13.792 -9.045 -13.966 1.00 0.00 H new ATOM 205 N ARG A 14 7.967 -7.078 -12.688 1.00 0.00 N ATOM 206 CA ARG A 14 7.312 -7.491 -13.917 1.00 0.00 C ATOM 207 C ARG A 14 6.453 -6.357 -14.455 1.00 0.00 C ATOM 208 O ARG A 14 6.328 -6.182 -15.667 1.00 0.00 O ATOM 209 CB ARG A 14 6.451 -8.732 -13.672 1.00 0.00 C ATOM 210 CG ARG A 14 7.086 -10.020 -14.169 1.00 0.00 C ATOM 211 CD ARG A 14 6.223 -11.229 -13.845 1.00 0.00 C ATOM 212 NE ARG A 14 6.442 -12.326 -14.783 1.00 0.00 N ATOM 213 CZ ARG A 14 7.264 -13.345 -14.548 1.00 0.00 C ATOM 214 NH1 ARG A 14 7.943 -13.405 -13.410 1.00 0.00 N ATOM 215 NH2 ARG A 14 7.409 -14.304 -15.452 1.00 0.00 N ATOM 0 H ARG A 14 7.705 -7.621 -11.865 1.00 0.00 H new ATOM 0 HA ARG A 14 8.076 -7.738 -14.654 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.254 -8.822 -12.604 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.487 -8.598 -14.164 1.00 0.00 H new ATOM 0 HG2 ARG A 14 7.239 -9.959 -15.247 1.00 0.00 H new ATOM 0 HG3 ARG A 14 8.069 -10.141 -13.714 1.00 0.00 H new ATOM 0 HD2 ARG A 14 6.441 -11.569 -12.833 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.172 -10.940 -13.865 1.00 0.00 H new ATOM 0 HE ARG A 14 5.936 -12.310 -15.669 1.00 0.00 H new ATOM 0 HH11 ARG A 14 7.835 -12.669 -12.713 1.00 0.00 H new ATOM 0 HH12 ARG A 14 8.573 -14.188 -13.232 1.00 0.00 H new ATOM 0 HH21 ARG A 14 6.890 -14.261 -16.329 1.00 0.00 H new ATOM 0 HH22 ARG A 14 8.040 -15.085 -15.271 1.00 0.00 H new ATOM 229 N HIS A 15 5.838 -5.605 -13.544 1.00 0.00 N ATOM 230 CA HIS A 15 4.961 -4.507 -13.926 1.00 0.00 C ATOM 231 C HIS A 15 5.745 -3.280 -14.377 1.00 0.00 C ATOM 232 O HIS A 15 5.153 -2.306 -14.840 1.00 0.00 O ATOM 233 CB HIS A 15 4.053 -4.133 -12.754 1.00 0.00 C ATOM 234 CG HIS A 15 2.784 -4.927 -12.697 1.00 0.00 C ATOM 235 ND1 HIS A 15 2.124 -5.205 -11.518 1.00 0.00 N ATOM 236 CD2 HIS A 15 2.051 -5.501 -13.681 1.00 0.00 C ATOM 237 CE1 HIS A 15 1.041 -5.915 -11.779 1.00 0.00 C ATOM 238 NE2 HIS A 15 0.973 -6.108 -13.083 1.00 0.00 N ATOM 0 H HIS A 15 5.933 -5.738 -12.537 1.00 0.00 H new ATOM 0 HA HIS A 15 4.360 -4.847 -14.769 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.601 -4.273 -11.822 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.805 -3.074 -12.822 1.00 0.00 H new ATOM 0 HD2 HIS A 15 2.272 -5.485 -14.738 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.332 -6.276 -11.049 1.00 0.00 H new ATOM 0 HE2 HIS A 15 0.239 -6.624 -13.568 1.00 0.00 H new ATOM 247 N GLY A 16 7.074 -3.334 -14.297 1.00 0.00 N ATOM 248 CA GLY A 16 7.884 -2.225 -14.763 1.00 0.00 C ATOM 249 C GLY A 16 7.946 -1.024 -13.837 1.00 0.00 C ATOM 250 O GLY A 16 8.204 0.084 -14.308 1.00 0.00 O ATOM 0 H GLY A 16 7.599 -4.123 -13.920 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.899 -2.585 -14.930 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.499 -1.897 -15.729 1.00 0.00 H new ATOM 254 N LEU A 17 7.722 -1.197 -12.533 1.00 0.00 N ATOM 255 CA LEU A 17 7.781 -0.048 -11.636 1.00 0.00 C ATOM 256 C LEU A 17 9.176 0.131 -11.068 1.00 0.00 C ATOM 257 O LEU A 17 9.456 1.094 -10.358 1.00 0.00 O ATOM 258 CB LEU A 17 6.766 -0.167 -10.499 1.00 0.00 C ATOM 259 CG LEU A 17 5.389 -0.718 -10.879 1.00 0.00 C ATOM 260 CD1 LEU A 17 4.315 -0.085 -10.011 1.00 0.00 C ATOM 261 CD2 LEU A 17 5.070 -0.477 -12.351 1.00 0.00 C ATOM 0 H LEU A 17 7.506 -2.089 -12.089 1.00 0.00 H new ATOM 0 HA LEU A 17 7.528 0.831 -12.228 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.190 -0.808 -9.726 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.630 0.820 -10.056 1.00 0.00 H new ATOM 0 HG LEU A 17 5.408 -1.795 -10.711 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.340 -0.484 -10.290 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.514 -0.311 -8.963 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.320 0.995 -10.156 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.085 -0.882 -12.581 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.078 0.594 -12.554 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.819 -0.970 -12.971 1.00 0.00 H new ATOM 273 N ASP A 18 10.048 -0.797 -11.398 1.00 0.00 N ATOM 274 CA ASP A 18 11.426 -0.742 -10.926 1.00 0.00 C ATOM 275 C ASP A 18 12.198 0.361 -11.649 1.00 0.00 C ATOM 276 O ASP A 18 12.712 0.166 -12.751 1.00 0.00 O ATOM 277 CB ASP A 18 12.113 -2.099 -11.100 1.00 0.00 C ATOM 278 CG ASP A 18 13.616 -1.979 -11.271 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.289 -1.543 -10.313 1.00 0.00 O ATOM 280 OD2 ASP A 18 14.119 -2.323 -12.361 1.00 0.00 O ATOM 0 H ASP A 18 9.834 -1.600 -11.990 1.00 0.00 H new ATOM 0 HA ASP A 18 11.416 -0.506 -9.862 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.899 -2.723 -10.232 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.692 -2.605 -11.969 1.00 0.00 H new ATOM 285 N ASN A 19 12.264 1.521 -11.003 1.00 0.00 N ATOM 286 CA ASN A 19 12.961 2.688 -11.537 1.00 0.00 C ATOM 287 C ASN A 19 12.292 3.204 -12.793 1.00 0.00 C ATOM 288 O ASN A 19 12.944 3.750 -13.685 1.00 0.00 O ATOM 289 CB ASN A 19 14.433 2.370 -11.807 1.00 0.00 C ATOM 290 CG ASN A 19 15.370 3.354 -11.134 1.00 0.00 C ATOM 291 OD1 ASN A 19 16.201 2.973 -10.310 1.00 0.00 O ATOM 292 ND2 ASN A 19 15.240 4.629 -11.484 1.00 0.00 N ATOM 0 H ASN A 19 11.835 1.679 -10.092 1.00 0.00 H new ATOM 0 HA ASN A 19 12.910 3.473 -10.782 1.00 0.00 H new ATOM 0 HB2 ASN A 19 14.655 1.363 -11.455 1.00 0.00 H new ATOM 0 HB3 ASN A 19 14.612 2.379 -12.882 1.00 0.00 H new ATOM 0 HD21 ASN A 19 15.843 5.337 -11.065 1.00 0.00 H new ATOM 0 HD22 ASN A 19 14.537 4.900 -12.172 1.00 0.00 H new ATOM 299 N TYR A 20 10.980 3.061 -12.838 1.00 0.00 N ATOM 300 CA TYR A 20 10.213 3.548 -13.967 1.00 0.00 C ATOM 301 C TYR A 20 10.269 5.061 -13.935 1.00 0.00 C ATOM 302 O TYR A 20 10.763 5.618 -12.957 1.00 0.00 O ATOM 303 CB TYR A 20 8.763 3.059 -13.880 1.00 0.00 C ATOM 304 CG TYR A 20 7.906 3.454 -15.061 1.00 0.00 C ATOM 305 CD1 TYR A 20 8.141 2.927 -16.325 1.00 0.00 C ATOM 306 CD2 TYR A 20 6.859 4.356 -14.911 1.00 0.00 C ATOM 307 CE1 TYR A 20 7.357 3.288 -17.404 1.00 0.00 C ATOM 308 CE2 TYR A 20 6.071 4.720 -15.985 1.00 0.00 C ATOM 309 CZ TYR A 20 6.324 4.184 -17.229 1.00 0.00 C ATOM 310 OH TYR A 20 5.541 4.545 -18.302 1.00 0.00 O ATOM 0 H TYR A 20 10.426 2.613 -12.108 1.00 0.00 H new ATOM 0 HA TYR A 20 10.628 3.172 -14.903 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.762 1.973 -13.791 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.312 3.453 -12.969 1.00 0.00 H new ATOM 0 HD1 TYR A 20 8.949 2.224 -16.466 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.658 4.779 -13.938 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.553 2.870 -18.380 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.261 5.421 -15.851 1.00 0.00 H new ATOM 0 HH TYR A 20 4.858 5.183 -18.008 1.00 0.00 H new ATOM 320 N ARG A 21 9.803 5.719 -14.998 1.00 0.00 N ATOM 321 CA ARG A 21 9.825 7.179 -15.068 1.00 0.00 C ATOM 322 C ARG A 21 9.831 7.776 -13.665 1.00 0.00 C ATOM 323 O ARG A 21 10.520 8.759 -13.391 1.00 0.00 O ATOM 324 CB ARG A 21 8.618 7.694 -15.853 1.00 0.00 C ATOM 325 CG ARG A 21 8.602 7.250 -17.306 1.00 0.00 C ATOM 326 CD ARG A 21 8.425 8.431 -18.248 1.00 0.00 C ATOM 327 NE ARG A 21 9.653 8.739 -18.975 1.00 0.00 N ATOM 328 CZ ARG A 21 10.043 8.096 -20.072 1.00 0.00 C ATOM 329 NH1 ARG A 21 9.303 7.112 -20.566 1.00 0.00 N ATOM 330 NH2 ARG A 21 11.173 8.437 -20.676 1.00 0.00 N ATOM 0 H ARG A 21 9.407 5.264 -15.820 1.00 0.00 H new ATOM 0 HA ARG A 21 10.734 7.486 -15.585 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.705 7.350 -15.367 1.00 0.00 H new ATOM 0 HB3 ARG A 21 8.608 8.783 -15.815 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.533 6.733 -17.540 1.00 0.00 H new ATOM 0 HG3 ARG A 21 7.793 6.536 -17.460 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.628 8.212 -18.959 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.112 9.306 -17.678 1.00 0.00 H new ATOM 0 HE ARG A 21 10.246 9.490 -18.621 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.433 6.847 -20.104 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.604 6.620 -21.407 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.744 9.193 -20.299 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.471 7.943 -21.517 1.00 0.00 H new ATOM 344 N GLY A 22 9.060 7.150 -12.779 1.00 0.00 N ATOM 345 CA GLY A 22 8.978 7.594 -11.406 1.00 0.00 C ATOM 346 C GLY A 22 10.166 7.138 -10.580 1.00 0.00 C ATOM 347 O GLY A 22 11.241 7.733 -10.653 1.00 0.00 O ATOM 0 H GLY A 22 8.486 6.335 -12.995 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.918 8.682 -11.382 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.060 7.214 -10.958 1.00 0.00 H new ATOM 351 N TYR A 23 9.967 6.100 -9.766 1.00 0.00 N ATOM 352 CA TYR A 23 11.042 5.614 -8.905 1.00 0.00 C ATOM 353 C TYR A 23 11.263 4.110 -8.987 1.00 0.00 C ATOM 354 O TYR A 23 10.606 3.402 -9.748 1.00 0.00 O ATOM 355 CB TYR A 23 10.775 6.018 -7.457 1.00 0.00 C ATOM 356 CG TYR A 23 11.128 7.458 -7.156 1.00 0.00 C ATOM 357 CD1 TYR A 23 10.404 8.501 -7.720 1.00 0.00 C ATOM 358 CD2 TYR A 23 12.183 7.773 -6.310 1.00 0.00 C ATOM 359 CE1 TYR A 23 10.721 9.818 -7.450 1.00 0.00 C ATOM 360 CE2 TYR A 23 12.506 9.089 -6.036 1.00 0.00 C ATOM 361 CZ TYR A 23 11.772 10.106 -6.608 1.00 0.00 C ATOM 362 OH TYR A 23 12.092 11.417 -6.336 1.00 0.00 O ATOM 0 H TYR A 23 9.088 5.589 -9.686 1.00 0.00 H new ATOM 0 HA TYR A 23 11.957 6.081 -9.269 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.721 5.856 -7.232 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.346 5.367 -6.795 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.579 8.278 -8.381 1.00 0.00 H new ATOM 0 HD2 TYR A 23 12.760 6.979 -5.860 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.148 10.617 -7.897 1.00 0.00 H new ATOM 0 HE2 TYR A 23 13.330 9.319 -5.377 1.00 0.00 H new ATOM 0 HH TYR A 23 12.857 11.447 -5.724 1.00 0.00 H new ATOM 372 N SER A 24 12.232 3.648 -8.191 1.00 0.00 N ATOM 373 CA SER A 24 12.610 2.243 -8.146 1.00 0.00 C ATOM 374 C SER A 24 11.696 1.430 -7.240 1.00 0.00 C ATOM 375 O SER A 24 10.923 1.976 -6.454 1.00 0.00 O ATOM 376 CB SER A 24 14.057 2.106 -7.674 1.00 0.00 C ATOM 377 OG SER A 24 14.200 2.539 -6.332 1.00 0.00 O ATOM 0 H SER A 24 12.773 4.242 -7.562 1.00 0.00 H new ATOM 0 HA SER A 24 12.510 1.848 -9.157 1.00 0.00 H new ATOM 0 HB2 SER A 24 14.374 1.067 -7.759 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.710 2.692 -8.320 1.00 0.00 H new ATOM 0 HG SER A 24 15.135 2.440 -6.054 1.00 0.00 H new ATOM 383 N LEU A 25 11.809 0.114 -7.373 1.00 0.00 N ATOM 384 CA LEU A 25 11.023 -0.834 -6.598 1.00 0.00 C ATOM 385 C LEU A 25 10.906 -0.423 -5.130 1.00 0.00 C ATOM 386 O LEU A 25 9.802 -0.298 -4.605 1.00 0.00 O ATOM 387 CB LEU A 25 11.663 -2.216 -6.704 1.00 0.00 C ATOM 388 CG LEU A 25 10.968 -3.170 -7.664 1.00 0.00 C ATOM 389 CD1 LEU A 25 11.973 -4.122 -8.292 1.00 0.00 C ATOM 390 CD2 LEU A 25 9.878 -3.941 -6.940 1.00 0.00 C ATOM 0 H LEU A 25 12.455 -0.327 -8.028 1.00 0.00 H new ATOM 0 HA LEU A 25 10.013 -0.851 -7.008 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.700 -2.097 -7.019 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.681 -2.669 -5.713 1.00 0.00 H new ATOM 0 HG LEU A 25 10.508 -2.587 -8.462 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.457 -4.797 -8.975 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.721 -3.551 -8.842 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.462 -4.702 -7.510 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.388 -4.620 -7.638 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.318 -4.514 -6.124 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.144 -3.243 -6.538 1.00 0.00 H new ATOM 402 N GLY A 26 12.048 -0.238 -4.473 1.00 0.00 N ATOM 403 CA GLY A 26 12.057 0.135 -3.065 1.00 0.00 C ATOM 404 C GLY A 26 11.030 1.197 -2.709 1.00 0.00 C ATOM 405 O GLY A 26 10.415 1.136 -1.643 1.00 0.00 O ATOM 0 H GLY A 26 12.973 -0.340 -4.891 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.872 -0.754 -2.461 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.050 0.499 -2.801 1.00 0.00 H new ATOM 409 N ASN A 27 10.845 2.170 -3.593 1.00 0.00 N ATOM 410 CA ASN A 27 9.888 3.248 -3.352 1.00 0.00 C ATOM 411 C ASN A 27 8.451 2.733 -3.416 1.00 0.00 C ATOM 412 O ASN A 27 7.582 3.194 -2.676 1.00 0.00 O ATOM 413 CB ASN A 27 10.087 4.373 -4.365 1.00 0.00 C ATOM 414 CG ASN A 27 11.506 4.909 -4.360 1.00 0.00 C ATOM 415 OD1 ASN A 27 11.823 5.851 -3.633 1.00 0.00 O ATOM 416 ND2 ASN A 27 12.367 4.312 -5.174 1.00 0.00 N ATOM 0 H ASN A 27 11.342 2.237 -4.481 1.00 0.00 H new ATOM 0 HA ASN A 27 10.067 3.637 -2.350 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.843 4.008 -5.363 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.394 5.185 -4.144 1.00 0.00 H new ATOM 0 HD21 ASN A 27 13.335 4.630 -5.215 1.00 0.00 H new ATOM 0 HD22 ASN A 27 12.061 3.535 -5.759 1.00 0.00 H new ATOM 423 N TRP A 28 8.214 1.771 -4.300 1.00 0.00 N ATOM 424 CA TRP A 28 6.889 1.181 -4.464 1.00 0.00 C ATOM 425 C TRP A 28 6.526 0.294 -3.287 1.00 0.00 C ATOM 426 O TRP A 28 5.403 0.346 -2.785 1.00 0.00 O ATOM 427 CB TRP A 28 6.836 0.379 -5.752 1.00 0.00 C ATOM 428 CG TRP A 28 7.052 1.235 -6.947 1.00 0.00 C ATOM 429 CD1 TRP A 28 8.218 1.408 -7.618 1.00 0.00 C ATOM 430 CD2 TRP A 28 6.078 2.054 -7.596 1.00 0.00 C ATOM 431 NE1 TRP A 28 8.042 2.302 -8.641 1.00 0.00 N ATOM 432 CE2 TRP A 28 6.731 2.708 -8.656 1.00 0.00 C ATOM 433 CE3 TRP A 28 4.719 2.296 -7.383 1.00 0.00 C ATOM 434 CZ2 TRP A 28 6.070 3.591 -9.503 1.00 0.00 C ATOM 435 CZ3 TRP A 28 4.058 3.170 -8.223 1.00 0.00 C ATOM 436 CH2 TRP A 28 4.734 3.811 -9.275 1.00 0.00 C ATOM 0 H TRP A 28 8.926 1.381 -4.918 1.00 0.00 H new ATOM 0 HA TRP A 28 6.163 1.993 -4.509 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.594 -0.403 -5.724 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.869 -0.117 -5.831 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.148 0.914 -7.381 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.767 2.615 -9.286 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.194 1.808 -6.575 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.589 4.086 -10.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.007 3.364 -8.069 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.192 4.490 -9.917 1.00 0.00 H new ATOM 447 N VAL A 29 7.475 -0.524 -2.847 1.00 0.00 N ATOM 448 CA VAL A 29 7.243 -1.421 -1.729 1.00 0.00 C ATOM 449 C VAL A 29 7.039 -0.640 -0.443 1.00 0.00 C ATOM 450 O VAL A 29 6.089 -0.880 0.295 1.00 0.00 O ATOM 451 CB VAL A 29 8.422 -2.395 -1.553 1.00 0.00 C ATOM 452 CG1 VAL A 29 8.197 -3.317 -0.364 1.00 0.00 C ATOM 453 CG2 VAL A 29 8.643 -3.193 -2.830 1.00 0.00 C ATOM 0 H VAL A 29 8.411 -0.582 -3.249 1.00 0.00 H new ATOM 0 HA VAL A 29 6.340 -1.991 -1.947 1.00 0.00 H new ATOM 0 HB VAL A 29 9.321 -1.813 -1.352 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.045 -3.994 -0.263 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.098 -2.722 0.544 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.287 -3.896 -0.520 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.480 -3.878 -2.691 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.743 -3.762 -3.064 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.864 -2.511 -3.651 1.00 0.00 H new ATOM 463 N CYS A 30 7.943 0.286 -0.181 1.00 0.00 N ATOM 464 CA CYS A 30 7.872 1.105 1.018 1.00 0.00 C ATOM 465 C CYS A 30 6.555 1.879 1.078 1.00 0.00 C ATOM 466 O CYS A 30 5.876 1.890 2.108 1.00 0.00 O ATOM 467 CB CYS A 30 9.053 2.069 1.040 1.00 0.00 C ATOM 468 SG CYS A 30 9.354 2.848 2.654 1.00 0.00 S ATOM 0 H CYS A 30 8.739 0.491 -0.785 1.00 0.00 H new ATOM 0 HA CYS A 30 7.915 0.454 1.891 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.951 1.531 0.736 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.883 2.850 0.299 1.00 0.00 H new ATOM 473 N ALA A 31 6.203 2.529 -0.029 1.00 0.00 N ATOM 474 CA ALA A 31 4.976 3.314 -0.102 1.00 0.00 C ATOM 475 C ALA A 31 3.736 2.441 0.054 1.00 0.00 C ATOM 476 O ALA A 31 2.820 2.782 0.801 1.00 0.00 O ATOM 477 CB ALA A 31 4.919 4.076 -1.416 1.00 0.00 C ATOM 0 H ALA A 31 6.752 2.527 -0.889 1.00 0.00 H new ATOM 0 HA ALA A 31 4.987 4.023 0.726 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.999 4.658 -1.459 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.776 4.746 -1.486 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.941 3.371 -2.247 1.00 0.00 H new ATOM 483 N ALA A 32 3.709 1.318 -0.655 1.00 0.00 N ATOM 484 CA ALA A 32 2.573 0.403 -0.600 1.00 0.00 C ATOM 485 C ALA A 32 2.466 -0.279 0.759 1.00 0.00 C ATOM 486 O ALA A 32 1.388 -0.330 1.353 1.00 0.00 O ATOM 487 CB ALA A 32 2.682 -0.637 -1.704 1.00 0.00 C ATOM 0 H ALA A 32 4.461 1.018 -1.275 1.00 0.00 H new ATOM 0 HA ALA A 32 1.666 0.990 -0.749 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.829 -1.313 -1.652 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.692 -0.139 -2.673 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.604 -1.205 -1.579 1.00 0.00 H new ATOM 493 N LYS A 33 3.584 -0.815 1.238 1.00 0.00 N ATOM 494 CA LYS A 33 3.625 -1.511 2.520 1.00 0.00 C ATOM 495 C LYS A 33 2.934 -0.713 3.613 1.00 0.00 C ATOM 496 O LYS A 33 2.026 -1.209 4.274 1.00 0.00 O ATOM 497 CB LYS A 33 5.075 -1.781 2.927 1.00 0.00 C ATOM 498 CG LYS A 33 5.212 -2.472 4.275 1.00 0.00 C ATOM 499 CD LYS A 33 6.605 -3.051 4.464 1.00 0.00 C ATOM 500 CE LYS A 33 6.667 -3.966 5.676 1.00 0.00 C ATOM 501 NZ LYS A 33 7.011 -5.365 5.299 1.00 0.00 N ATOM 0 H LYS A 33 4.481 -0.780 0.753 1.00 0.00 H new ATOM 0 HA LYS A 33 3.094 -2.455 2.398 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.549 -2.397 2.163 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.617 -0.836 2.956 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.001 -1.760 5.073 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.472 -3.268 4.354 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.893 -3.607 3.572 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.324 -2.241 4.581 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.408 -3.587 6.379 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.705 -3.954 6.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.043 -5.957 6.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.290 -5.736 4.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.940 -5.380 4.832 1.00 0.00 H new ATOM 515 N PHE A 34 3.378 0.518 3.816 1.00 0.00 N ATOM 516 CA PHE A 34 2.800 1.357 4.853 1.00 0.00 C ATOM 517 C PHE A 34 1.454 1.930 4.443 1.00 0.00 C ATOM 518 O PHE A 34 0.680 2.378 5.289 1.00 0.00 O ATOM 519 CB PHE A 34 3.754 2.470 5.233 1.00 0.00 C ATOM 520 CG PHE A 34 4.674 2.116 6.368 1.00 0.00 C ATOM 521 CD1 PHE A 34 4.277 2.306 7.682 1.00 0.00 C ATOM 522 CD2 PHE A 34 5.933 1.594 6.119 1.00 0.00 C ATOM 523 CE1 PHE A 34 5.120 1.980 8.728 1.00 0.00 C ATOM 524 CE2 PHE A 34 6.780 1.266 7.161 1.00 0.00 C ATOM 525 CZ PHE A 34 6.373 1.460 8.467 1.00 0.00 C ATOM 0 H PHE A 34 4.129 0.955 3.282 1.00 0.00 H new ATOM 0 HA PHE A 34 2.632 0.722 5.723 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.352 2.737 4.362 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.177 3.353 5.507 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.299 2.713 7.891 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.256 1.442 5.100 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.799 2.132 9.748 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.759 0.859 6.955 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.033 1.205 9.283 1.00 0.00 H new ATOM 535 N GLU A 35 1.174 1.922 3.149 1.00 0.00 N ATOM 536 CA GLU A 35 -0.079 2.449 2.636 1.00 0.00 C ATOM 537 C GLU A 35 -1.272 1.605 3.067 1.00 0.00 C ATOM 538 O GLU A 35 -2.241 2.115 3.630 1.00 0.00 O ATOM 539 CB GLU A 35 -0.020 2.487 1.111 1.00 0.00 C ATOM 540 CG GLU A 35 -0.021 3.889 0.531 1.00 0.00 C ATOM 541 CD GLU A 35 0.473 3.917 -0.900 1.00 0.00 C ATOM 542 OE1 GLU A 35 -0.320 3.583 -1.805 1.00 0.00 O ATOM 543 OE2 GLU A 35 1.651 4.266 -1.116 1.00 0.00 O ATOM 0 H GLU A 35 1.801 1.555 2.433 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.212 3.451 3.044 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.879 1.967 0.779 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.872 1.938 0.710 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.031 4.297 0.573 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.609 4.534 1.144 1.00 0.00 H new ATOM 550 N SER A 36 -1.214 0.319 2.745 1.00 0.00 N ATOM 551 CA SER A 36 -2.312 -0.596 3.044 1.00 0.00 C ATOM 552 C SER A 36 -1.831 -1.864 3.738 1.00 0.00 C ATOM 553 O SER A 36 -2.570 -2.844 3.820 1.00 0.00 O ATOM 554 CB SER A 36 -3.015 -0.974 1.735 1.00 0.00 C ATOM 555 OG SER A 36 -2.068 -1.322 0.740 1.00 0.00 O ATOM 0 H SER A 36 -0.419 -0.116 2.277 1.00 0.00 H new ATOM 0 HA SER A 36 -2.997 -0.087 3.722 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.692 -1.811 1.908 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.623 -0.138 1.389 1.00 0.00 H new ATOM 0 HG SER A 36 -1.858 -0.533 0.198 1.00 0.00 H new ATOM 561 N ASN A 37 -0.592 -1.856 4.207 1.00 0.00 N ATOM 562 CA ASN A 37 -0.031 -3.035 4.857 1.00 0.00 C ATOM 563 C ASN A 37 -0.049 -4.193 3.866 1.00 0.00 C ATOM 564 O ASN A 37 -0.106 -5.357 4.248 1.00 0.00 O ATOM 565 CB ASN A 37 -0.825 -3.396 6.116 1.00 0.00 C ATOM 566 CG ASN A 37 -0.222 -2.793 7.370 1.00 0.00 C ATOM 567 OD1 ASN A 37 0.916 -3.091 7.732 1.00 0.00 O ATOM 568 ND2 ASN A 37 -0.987 -1.940 8.043 1.00 0.00 N ATOM 0 H ASN A 37 0.039 -1.057 4.152 1.00 0.00 H new ATOM 0 HA ASN A 37 0.994 -2.825 5.164 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.852 -3.049 6.007 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.864 -4.480 6.220 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.636 -1.504 8.896 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.925 -1.721 7.707 1.00 0.00 H new ATOM 575 N PHE A 38 0.009 -3.823 2.588 1.00 0.00 N ATOM 576 CA PHE A 38 0.008 -4.748 1.464 1.00 0.00 C ATOM 577 C PHE A 38 -1.369 -5.345 1.235 1.00 0.00 C ATOM 578 O PHE A 38 -1.503 -6.393 0.612 1.00 0.00 O ATOM 579 CB PHE A 38 1.074 -5.832 1.636 1.00 0.00 C ATOM 580 CG PHE A 38 2.454 -5.325 1.333 1.00 0.00 C ATOM 581 CD1 PHE A 38 2.712 -4.665 0.141 1.00 0.00 C ATOM 582 CD2 PHE A 38 3.487 -5.490 2.239 1.00 0.00 C ATOM 583 CE1 PHE A 38 3.973 -4.184 -0.145 1.00 0.00 C ATOM 584 CE2 PHE A 38 4.752 -5.010 1.960 1.00 0.00 C ATOM 585 CZ PHE A 38 4.995 -4.356 0.767 1.00 0.00 C ATOM 0 H PHE A 38 0.059 -2.845 2.302 1.00 0.00 H new ATOM 0 HA PHE A 38 0.263 -4.180 0.570 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.044 -6.209 2.658 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.845 -6.671 0.979 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.914 -4.526 -0.574 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.302 -5.999 3.173 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.160 -3.675 -1.079 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.551 -5.146 2.674 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.983 -3.980 0.548 1.00 0.00 H new ATOM 595 N ASN A 39 -2.399 -4.647 1.704 1.00 0.00 N ATOM 596 CA ASN A 39 -3.768 -5.098 1.516 1.00 0.00 C ATOM 597 C ASN A 39 -4.305 -4.573 0.194 1.00 0.00 C ATOM 598 O ASN A 39 -4.540 -3.374 0.035 1.00 0.00 O ATOM 599 CB ASN A 39 -4.653 -4.635 2.673 1.00 0.00 C ATOM 600 CG ASN A 39 -6.016 -5.305 2.674 1.00 0.00 C ATOM 601 OD1 ASN A 39 -6.966 -4.803 3.275 1.00 0.00 O ATOM 602 ND2 ASN A 39 -6.120 -6.449 2.003 1.00 0.00 N ATOM 0 H ASN A 39 -2.309 -3.769 2.216 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.779 -6.188 1.497 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.149 -4.845 3.617 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.784 -3.554 2.615 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.012 -6.944 1.973 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.308 -6.831 1.518 1.00 0.00 H new ATOM 609 N THR A 40 -4.470 -5.476 -0.760 1.00 0.00 N ATOM 610 CA THR A 40 -4.948 -5.117 -2.083 1.00 0.00 C ATOM 611 C THR A 40 -6.425 -4.781 -2.029 1.00 0.00 C ATOM 612 O THR A 40 -6.993 -4.225 -2.969 1.00 0.00 O ATOM 613 CB THR A 40 -4.718 -6.268 -3.081 1.00 0.00 C ATOM 614 OG1 THR A 40 -5.866 -7.124 -3.122 1.00 0.00 O ATOM 615 CG2 THR A 40 -3.495 -7.082 -2.690 1.00 0.00 C ATOM 0 H THR A 40 -4.278 -6.470 -0.639 1.00 0.00 H new ATOM 0 HA THR A 40 -4.388 -4.245 -2.421 1.00 0.00 H new ATOM 0 HB THR A 40 -4.554 -5.834 -4.067 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.710 -7.851 -3.761 1.00 0.00 H new ATOM 0 HG21 THR A 40 -3.351 -7.890 -3.408 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.615 -6.438 -2.686 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.641 -7.503 -1.695 1.00 0.00 H new ATOM 623 N GLN A 41 -7.036 -5.145 -0.915 1.00 0.00 N ATOM 624 CA GLN A 41 -8.451 -4.919 -0.696 1.00 0.00 C ATOM 625 C GLN A 41 -8.693 -3.844 0.364 1.00 0.00 C ATOM 626 O GLN A 41 -9.834 -3.582 0.745 1.00 0.00 O ATOM 627 CB GLN A 41 -9.097 -6.232 -0.269 1.00 0.00 C ATOM 628 CG GLN A 41 -9.648 -7.049 -1.425 1.00 0.00 C ATOM 629 CD GLN A 41 -11.128 -7.346 -1.274 1.00 0.00 C ATOM 630 OE1 GLN A 41 -11.939 -6.439 -1.085 1.00 0.00 O ATOM 631 NE2 GLN A 41 -11.487 -8.622 -1.357 1.00 0.00 N ATOM 0 H GLN A 41 -6.563 -5.606 -0.137 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.896 -4.564 -1.625 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.361 -6.830 0.268 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.905 -6.018 0.430 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.482 -6.510 -2.358 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.098 -7.987 -1.497 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.781 -9.341 -1.515 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.469 -8.883 -1.263 1.00 0.00 H new ATOM 640 N ALA A 42 -7.613 -3.232 0.846 1.00 0.00 N ATOM 641 CA ALA A 42 -7.709 -2.200 1.872 1.00 0.00 C ATOM 642 C ALA A 42 -8.372 -0.932 1.353 1.00 0.00 C ATOM 643 O ALA A 42 -8.058 -0.446 0.265 1.00 0.00 O ATOM 644 CB ALA A 42 -6.331 -1.868 2.420 1.00 0.00 C ATOM 0 H ALA A 42 -6.661 -3.434 0.541 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.335 -2.601 2.669 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.420 -1.096 3.185 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.888 -2.763 2.857 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.695 -1.506 1.612 1.00 0.00 H new ATOM 650 N THR A 43 -9.279 -0.395 2.159 1.00 0.00 N ATOM 651 CA THR A 43 -9.993 0.830 1.824 1.00 0.00 C ATOM 652 C THR A 43 -9.762 1.880 2.909 1.00 0.00 C ATOM 653 O THR A 43 -9.840 1.572 4.099 1.00 0.00 O ATOM 654 CB THR A 43 -11.507 0.578 1.685 1.00 0.00 C ATOM 655 OG1 THR A 43 -12.153 0.760 2.951 1.00 0.00 O ATOM 656 CG2 THR A 43 -11.780 -0.827 1.171 1.00 0.00 C ATOM 0 H THR A 43 -9.540 -0.795 3.060 1.00 0.00 H new ATOM 0 HA THR A 43 -9.609 1.186 0.868 1.00 0.00 H new ATOM 0 HB THR A 43 -11.905 1.294 0.966 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.115 0.600 2.854 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.856 -0.979 1.082 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.313 -0.954 0.194 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.367 -1.556 1.868 1.00 0.00 H new ATOM 664 N ASN A 44 -9.474 3.114 2.506 1.00 0.00 N ATOM 665 CA ASN A 44 -9.231 4.186 3.468 1.00 0.00 C ATOM 666 C ASN A 44 -10.109 5.398 3.171 1.00 0.00 C ATOM 667 O ASN A 44 -9.766 6.237 2.338 1.00 0.00 O ATOM 668 CB ASN A 44 -7.756 4.594 3.448 1.00 0.00 C ATOM 669 CG ASN A 44 -6.977 4.003 4.607 1.00 0.00 C ATOM 670 OD1 ASN A 44 -6.729 4.674 5.608 1.00 0.00 O ATOM 671 ND2 ASN A 44 -6.585 2.741 4.475 1.00 0.00 N ATOM 0 H ASN A 44 -9.403 3.396 1.528 1.00 0.00 H new ATOM 0 HA ASN A 44 -9.485 3.812 4.460 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -7.305 4.272 2.509 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -7.682 5.681 3.481 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.056 2.291 5.222 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -6.813 2.222 3.627 1.00 0.00 H new ATOM 678 N ARG A 45 -11.245 5.479 3.856 1.00 0.00 N ATOM 679 CA ARG A 45 -12.177 6.585 3.666 1.00 0.00 C ATOM 680 C ARG A 45 -11.674 7.853 4.347 1.00 0.00 C ATOM 681 O ARG A 45 -11.277 7.829 5.513 1.00 0.00 O ATOM 682 CB ARG A 45 -13.558 6.214 4.210 1.00 0.00 C ATOM 683 CG ARG A 45 -14.571 5.884 3.126 1.00 0.00 C ATOM 684 CD ARG A 45 -15.995 6.109 3.606 1.00 0.00 C ATOM 685 NE ARG A 45 -16.729 4.854 3.753 1.00 0.00 N ATOM 686 CZ ARG A 45 -17.692 4.664 4.649 1.00 0.00 C ATOM 687 NH1 ARG A 45 -18.038 5.643 5.475 1.00 0.00 N ATOM 688 NH2 ARG A 45 -18.312 3.494 4.720 1.00 0.00 N ATOM 0 H ARG A 45 -11.543 4.791 4.548 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.253 6.779 2.596 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -13.459 5.357 4.876 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -13.937 7.041 4.810 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -14.380 6.502 2.248 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.450 4.846 2.818 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -15.977 6.632 4.562 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -16.518 6.754 2.900 1.00 0.00 H new ATOM 0 HE ARG A 45 -16.489 4.080 3.133 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -17.564 6.545 5.424 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -18.778 5.494 6.161 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -18.050 2.739 4.087 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -19.051 3.349 5.408 1.00 0.00 H new ATOM 702 N ASN A 46 -11.696 8.960 3.612 1.00 0.00 N ATOM 703 CA ASN A 46 -11.245 10.242 4.143 1.00 0.00 C ATOM 704 C ASN A 46 -12.419 11.197 4.328 1.00 0.00 C ATOM 705 O ASN A 46 -13.554 10.879 3.974 1.00 0.00 O ATOM 706 CB ASN A 46 -10.207 10.868 3.211 1.00 0.00 C ATOM 707 CG ASN A 46 -9.289 9.834 2.588 1.00 0.00 C ATOM 708 OD1 ASN A 46 -9.596 9.265 1.541 1.00 0.00 O ATOM 709 ND2 ASN A 46 -8.154 9.585 3.232 1.00 0.00 N ATOM 0 H ASN A 46 -12.022 8.995 2.646 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.788 10.063 5.116 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.718 11.419 2.421 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.611 11.590 3.769 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.497 8.899 2.861 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.939 10.080 4.098 1.00 0.00 H new ATOM 716 N THR A 47 -12.135 12.366 4.888 1.00 0.00 N ATOM 717 CA THR A 47 -13.164 13.373 5.127 1.00 0.00 C ATOM 718 C THR A 47 -13.437 14.194 3.871 1.00 0.00 C ATOM 719 O THR A 47 -14.466 14.863 3.768 1.00 0.00 O ATOM 720 CB THR A 47 -12.762 14.325 6.270 1.00 0.00 C ATOM 721 OG1 THR A 47 -11.588 15.060 5.906 1.00 0.00 O ATOM 722 CG2 THR A 47 -12.505 13.550 7.554 1.00 0.00 C ATOM 0 H THR A 47 -11.199 12.642 5.186 1.00 0.00 H new ATOM 0 HA THR A 47 -14.070 12.836 5.410 1.00 0.00 H new ATOM 0 HB THR A 47 -13.585 15.019 6.442 1.00 0.00 H new ATOM 0 HG1 THR A 47 -11.340 15.664 6.637 1.00 0.00 H new ATOM 0 HG21 THR A 47 -12.223 14.243 8.347 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.410 13.016 7.844 1.00 0.00 H new ATOM 0 HG23 THR A 47 -11.698 12.835 7.392 1.00 0.00 H new ATOM 730 N ASP A 48 -12.511 14.141 2.919 1.00 0.00 N ATOM 731 CA ASP A 48 -12.654 14.881 1.670 1.00 0.00 C ATOM 732 C ASP A 48 -13.724 14.253 0.781 1.00 0.00 C ATOM 733 O ASP A 48 -14.163 14.855 -0.198 1.00 0.00 O ATOM 734 CB ASP A 48 -11.320 14.933 0.927 1.00 0.00 C ATOM 735 CG ASP A 48 -10.663 13.570 0.816 1.00 0.00 C ATOM 736 OD1 ASP A 48 -11.382 12.554 0.919 1.00 0.00 O ATOM 737 OD2 ASP A 48 -9.430 13.520 0.626 1.00 0.00 O ATOM 0 H ASP A 48 -11.653 13.593 2.989 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.964 15.897 1.914 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.480 15.338 -0.072 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.646 15.616 1.444 1.00 0.00 H new ATOM 742 N GLY A 49 -14.140 13.040 1.131 1.00 0.00 N ATOM 743 CA GLY A 49 -15.158 12.351 0.358 1.00 0.00 C ATOM 744 C GLY A 49 -14.602 11.183 -0.434 1.00 0.00 C ATOM 745 O GLY A 49 -15.317 10.220 -0.712 1.00 0.00 O ATOM 0 H GLY A 49 -13.790 12.521 1.937 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -15.937 11.991 1.030 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -15.629 13.057 -0.326 1.00 0.00 H new ATOM 749 N SER A 50 -13.325 11.267 -0.796 1.00 0.00 N ATOM 750 CA SER A 50 -12.681 10.204 -1.561 1.00 0.00 C ATOM 751 C SER A 50 -12.331 9.023 -0.662 1.00 0.00 C ATOM 752 O SER A 50 -12.741 8.968 0.498 1.00 0.00 O ATOM 753 CB SER A 50 -11.424 10.725 -2.257 1.00 0.00 C ATOM 754 OG SER A 50 -10.830 11.782 -1.523 1.00 0.00 O ATOM 0 H SER A 50 -12.718 12.056 -0.573 1.00 0.00 H new ATOM 0 HA SER A 50 -13.385 9.864 -2.320 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.707 9.912 -2.374 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.678 11.072 -3.259 1.00 0.00 H new ATOM 0 HG SER A 50 -10.922 11.606 -0.563 1.00 0.00 H new ATOM 760 N THR A 51 -11.569 8.079 -1.206 1.00 0.00 N ATOM 761 CA THR A 51 -11.160 6.895 -0.463 1.00 0.00 C ATOM 762 C THR A 51 -9.946 6.239 -1.117 1.00 0.00 C ATOM 763 O THR A 51 -9.602 6.557 -2.255 1.00 0.00 O ATOM 764 CB THR A 51 -12.304 5.865 -0.380 1.00 0.00 C ATOM 765 OG1 THR A 51 -13.550 6.528 -0.141 1.00 0.00 O ATOM 766 CG2 THR A 51 -12.049 4.849 0.722 1.00 0.00 C ATOM 0 H THR A 51 -11.221 8.113 -2.164 1.00 0.00 H new ATOM 0 HA THR A 51 -10.900 7.219 0.545 1.00 0.00 H new ATOM 0 HB THR A 51 -12.349 5.338 -1.333 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.405 7.292 0.455 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.872 4.136 0.757 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.118 4.319 0.520 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.974 5.363 1.680 1.00 0.00 H new ATOM 774 N ASP A 52 -9.306 5.322 -0.400 1.00 0.00 N ATOM 775 CA ASP A 52 -8.138 4.618 -0.920 1.00 0.00 C ATOM 776 C ASP A 52 -8.431 3.133 -1.052 1.00 0.00 C ATOM 777 O ASP A 52 -8.193 2.356 -0.128 1.00 0.00 O ATOM 778 CB ASP A 52 -6.935 4.838 -0.001 1.00 0.00 C ATOM 779 CG ASP A 52 -6.495 6.289 0.038 1.00 0.00 C ATOM 780 OD1 ASP A 52 -6.223 6.857 -1.041 1.00 0.00 O ATOM 781 OD2 ASP A 52 -6.422 6.857 1.148 1.00 0.00 O ATOM 0 H ASP A 52 -9.576 5.048 0.545 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.904 5.016 -1.907 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.187 4.510 1.008 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.105 4.218 -0.339 1.00 0.00 H new ATOM 786 N TYR A 53 -8.961 2.748 -2.206 1.00 0.00 N ATOM 787 CA TYR A 53 -9.300 1.357 -2.455 1.00 0.00 C ATOM 788 C TYR A 53 -8.201 0.634 -3.226 1.00 0.00 C ATOM 789 O TYR A 53 -8.315 0.438 -4.433 1.00 0.00 O ATOM 790 CB TYR A 53 -10.606 1.248 -3.249 1.00 0.00 C ATOM 791 CG TYR A 53 -11.804 1.900 -2.598 1.00 0.00 C ATOM 792 CD1 TYR A 53 -12.366 1.372 -1.443 1.00 0.00 C ATOM 793 CD2 TYR A 53 -12.386 3.033 -3.152 1.00 0.00 C ATOM 794 CE1 TYR A 53 -13.471 1.958 -0.856 1.00 0.00 C ATOM 795 CE2 TYR A 53 -13.493 3.623 -2.573 1.00 0.00 C ATOM 796 CZ TYR A 53 -14.032 3.082 -1.425 1.00 0.00 C ATOM 797 OH TYR A 53 -15.134 3.665 -0.845 1.00 0.00 O ATOM 0 H TYR A 53 -9.164 3.379 -2.981 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.416 0.886 -1.479 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.456 1.697 -4.231 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.828 0.193 -3.411 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -11.932 0.489 -0.997 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -11.966 3.460 -4.051 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -13.894 1.538 0.045 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -13.934 4.503 -3.017 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.404 4.448 -1.369 1.00 0.00 H new ATOM 807 N GLY A 54 -7.124 0.257 -2.555 1.00 0.00 N ATOM 808 CA GLY A 54 -6.057 -0.437 -3.253 1.00 0.00 C ATOM 809 C GLY A 54 -4.796 -0.568 -2.430 1.00 0.00 C ATOM 810 O GLY A 54 -4.598 0.172 -1.466 1.00 0.00 O ATOM 0 H GLY A 54 -6.968 0.414 -1.559 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.403 -1.431 -3.537 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.828 0.096 -4.176 1.00 0.00 H new ATOM 814 N ILE A 55 -3.920 -1.489 -2.829 1.00 0.00 N ATOM 815 CA ILE A 55 -2.656 -1.672 -2.136 1.00 0.00 C ATOM 816 C ILE A 55 -1.832 -0.407 -2.320 1.00 0.00 C ATOM 817 O ILE A 55 -0.976 -0.069 -1.502 1.00 0.00 O ATOM 818 CB ILE A 55 -1.867 -2.886 -2.673 1.00 0.00 C ATOM 819 CG1 ILE A 55 -0.673 -3.190 -1.766 1.00 0.00 C ATOM 820 CG2 ILE A 55 -1.400 -2.624 -4.098 1.00 0.00 C ATOM 821 CD1 ILE A 55 -0.082 -4.564 -1.988 1.00 0.00 C ATOM 0 H ILE A 55 -4.065 -2.113 -3.623 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.860 -1.863 -1.082 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.526 -3.754 -2.678 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.100 -2.439 -1.932 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.985 -3.101 -0.725 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.845 -3.488 -4.464 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.265 -2.451 -4.738 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.755 -1.745 -4.114 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.760 -4.711 -1.312 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.841 -5.322 -1.794 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.261 -4.650 -3.019 1.00 0.00 H new ATOM 833 N LEU A 56 -2.142 0.302 -3.405 1.00 0.00 N ATOM 834 CA LEU A 56 -1.491 1.559 -3.730 1.00 0.00 C ATOM 835 C LEU A 56 -2.481 2.701 -3.525 1.00 0.00 C ATOM 836 O LEU A 56 -2.204 3.849 -3.872 1.00 0.00 O ATOM 837 CB LEU A 56 -0.978 1.556 -5.180 1.00 0.00 C ATOM 838 CG LEU A 56 0.541 1.718 -5.347 1.00 0.00 C ATOM 839 CD1 LEU A 56 1.082 2.782 -4.404 1.00 0.00 C ATOM 840 CD2 LEU A 56 1.243 0.389 -5.113 1.00 0.00 C ATOM 0 H LEU A 56 -2.852 0.017 -4.080 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.632 1.692 -3.073 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.280 0.621 -5.651 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.473 2.361 -5.723 1.00 0.00 H new ATOM 0 HG LEU A 56 0.739 2.042 -6.369 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.159 2.877 -4.542 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.603 3.737 -4.620 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.872 2.495 -3.373 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.318 0.519 -5.235 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.032 0.039 -4.103 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.882 -0.345 -5.834 1.00 0.00 H new ATOM 852 N GLN A 57 -3.641 2.364 -2.945 1.00 0.00 N ATOM 853 CA GLN A 57 -4.698 3.335 -2.663 1.00 0.00 C ATOM 854 C GLN A 57 -5.368 3.835 -3.940 1.00 0.00 C ATOM 855 O GLN A 57 -5.123 4.964 -4.368 1.00 0.00 O ATOM 856 CB GLN A 57 -4.139 4.520 -1.869 1.00 0.00 C ATOM 857 CG GLN A 57 -3.244 4.112 -0.709 1.00 0.00 C ATOM 858 CD GLN A 57 -4.006 3.419 0.403 1.00 0.00 C ATOM 859 OE1 GLN A 57 -4.410 2.264 0.269 1.00 0.00 O ATOM 860 NE2 GLN A 57 -4.208 4.123 1.510 1.00 0.00 N ATOM 0 H GLN A 57 -3.869 1.412 -2.660 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.455 2.825 -2.067 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.574 5.163 -2.543 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.969 5.112 -1.485 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.461 3.448 -1.076 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.750 4.997 -0.308 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -3.856 5.078 1.579 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.716 3.709 2.292 1.00 0.00 H new ATOM 869 N ILE A 58 -6.213 3.002 -4.559 1.00 0.00 N ATOM 870 CA ILE A 58 -6.883 3.404 -5.779 1.00 0.00 C ATOM 871 C ILE A 58 -8.149 4.171 -5.457 1.00 0.00 C ATOM 872 O ILE A 58 -9.202 3.581 -5.215 1.00 0.00 O ATOM 873 CB ILE A 58 -7.225 2.192 -6.667 1.00 0.00 C ATOM 874 CG1 ILE A 58 -6.050 1.209 -6.706 1.00 0.00 C ATOM 875 CG2 ILE A 58 -7.590 2.649 -8.071 1.00 0.00 C ATOM 876 CD1 ILE A 58 -4.721 1.855 -7.044 1.00 0.00 C ATOM 0 H ILE A 58 -6.440 2.062 -4.234 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.197 4.047 -6.330 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.086 1.679 -6.239 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.968 0.717 -5.737 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.263 0.432 -7.441 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.829 1.781 -8.686 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.455 3.310 -8.025 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.748 3.184 -8.510 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.939 1.096 -7.052 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.783 2.323 -8.027 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.484 2.612 -6.296 1.00 0.00 H new ATOM 888 N ASN A 59 -8.042 5.492 -5.459 1.00 0.00 N ATOM 889 CA ASN A 59 -9.182 6.340 -5.173 1.00 0.00 C ATOM 890 C ASN A 59 -10.243 6.143 -6.241 1.00 0.00 C ATOM 891 O ASN A 59 -10.154 6.712 -7.328 1.00 0.00 O ATOM 892 CB ASN A 59 -8.748 7.805 -5.119 1.00 0.00 C ATOM 893 CG ASN A 59 -9.876 8.735 -4.717 1.00 0.00 C ATOM 894 OD1 ASN A 59 -10.992 8.297 -4.439 1.00 0.00 O ATOM 895 ND2 ASN A 59 -9.587 10.031 -4.683 1.00 0.00 N ATOM 0 H ASN A 59 -7.177 5.996 -5.656 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.598 6.067 -4.203 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.926 7.910 -4.411 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.367 8.103 -6.096 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.304 10.707 -4.419 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.648 10.351 -4.921 1.00 0.00 H new ATOM 902 N SER A 60 -11.245 5.332 -5.931 1.00 0.00 N ATOM 903 CA SER A 60 -12.323 5.059 -6.877 1.00 0.00 C ATOM 904 C SER A 60 -13.134 6.316 -7.182 1.00 0.00 C ATOM 905 O SER A 60 -13.923 6.336 -8.125 1.00 0.00 O ATOM 906 CB SER A 60 -13.244 3.968 -6.329 1.00 0.00 C ATOM 907 OG SER A 60 -14.263 4.523 -5.514 1.00 0.00 O ATOM 0 H SER A 60 -11.336 4.852 -5.036 1.00 0.00 H new ATOM 0 HA SER A 60 -11.868 4.717 -7.806 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.694 3.418 -7.156 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.661 3.252 -5.750 1.00 0.00 H new ATOM 0 HG SER A 60 -14.155 4.206 -4.593 1.00 0.00 H new ATOM 913 N ARG A 61 -12.945 7.365 -6.386 1.00 0.00 N ATOM 914 CA ARG A 61 -13.671 8.614 -6.593 1.00 0.00 C ATOM 915 C ARG A 61 -12.774 9.649 -7.262 1.00 0.00 C ATOM 916 O ARG A 61 -12.988 10.854 -7.127 1.00 0.00 O ATOM 917 CB ARG A 61 -14.189 9.154 -5.259 1.00 0.00 C ATOM 918 CG ARG A 61 -15.474 9.956 -5.386 1.00 0.00 C ATOM 919 CD ARG A 61 -15.337 11.331 -4.753 1.00 0.00 C ATOM 920 NE ARG A 61 -15.840 12.388 -5.627 1.00 0.00 N ATOM 921 CZ ARG A 61 -15.441 13.654 -5.557 1.00 0.00 C ATOM 922 NH1 ARG A 61 -14.536 14.020 -4.658 1.00 0.00 N ATOM 923 NH2 ARG A 61 -15.945 14.557 -6.386 1.00 0.00 N ATOM 0 H ARG A 61 -12.299 7.375 -5.596 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.520 8.414 -7.246 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -14.357 8.319 -4.579 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.421 9.783 -4.808 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -15.735 10.063 -6.439 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -16.291 9.414 -4.909 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -15.881 11.351 -3.809 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.289 11.521 -4.521 1.00 0.00 H new ATOM 0 HE ARG A 61 -16.536 12.141 -6.330 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -14.144 13.329 -4.018 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -14.232 14.992 -4.607 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -16.640 14.281 -7.079 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -15.638 15.528 -6.331 1.00 0.00 H new ATOM 937 N TRP A 62 -11.767 9.167 -7.983 1.00 0.00 N ATOM 938 CA TRP A 62 -10.836 10.058 -8.671 1.00 0.00 C ATOM 939 C TRP A 62 -10.050 9.364 -9.786 1.00 0.00 C ATOM 940 O TRP A 62 -9.386 10.036 -10.574 1.00 0.00 O ATOM 941 CB TRP A 62 -9.861 10.671 -7.665 1.00 0.00 C ATOM 942 CG TRP A 62 -9.563 12.115 -7.931 1.00 0.00 C ATOM 943 CD1 TRP A 62 -8.629 12.613 -8.793 1.00 0.00 C ATOM 944 CD2 TRP A 62 -10.201 13.248 -7.330 1.00 0.00 C ATOM 945 NE1 TRP A 62 -8.647 13.987 -8.765 1.00 0.00 N ATOM 946 CE2 TRP A 62 -9.604 14.401 -7.875 1.00 0.00 C ATOM 947 CE3 TRP A 62 -11.220 13.400 -6.385 1.00 0.00 C ATOM 948 CZ2 TRP A 62 -9.992 15.686 -7.506 1.00 0.00 C ATOM 949 CZ3 TRP A 62 -11.604 14.676 -6.020 1.00 0.00 C ATOM 950 CH2 TRP A 62 -10.991 15.804 -6.579 1.00 0.00 C ATOM 0 H TRP A 62 -11.574 8.173 -8.106 1.00 0.00 H new ATOM 0 HA TRP A 62 -11.439 10.835 -9.141 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -10.275 10.572 -6.662 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -8.929 10.106 -7.682 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -7.972 12.015 -9.407 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -8.046 14.599 -9.317 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -11.698 12.536 -5.948 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -9.521 16.558 -7.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -12.390 14.806 -5.291 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -11.314 16.788 -6.272 1.00 0.00 H new ATOM 961 N TRP A 63 -10.098 8.033 -9.851 1.00 0.00 N ATOM 962 CA TRP A 63 -9.349 7.316 -10.879 1.00 0.00 C ATOM 963 C TRP A 63 -10.178 6.240 -11.575 1.00 0.00 C ATOM 964 O TRP A 63 -9.770 5.728 -12.615 1.00 0.00 O ATOM 965 CB TRP A 63 -8.105 6.662 -10.272 1.00 0.00 C ATOM 966 CG TRP A 63 -7.120 7.633 -9.700 1.00 0.00 C ATOM 967 CD1 TRP A 63 -6.586 7.625 -8.442 1.00 0.00 C ATOM 968 CD2 TRP A 63 -6.545 8.754 -10.371 1.00 0.00 C ATOM 969 NE1 TRP A 63 -5.707 8.671 -8.296 1.00 0.00 N ATOM 970 CE2 TRP A 63 -5.666 9.381 -9.468 1.00 0.00 C ATOM 971 CE3 TRP A 63 -6.689 9.285 -11.649 1.00 0.00 C ATOM 972 CZ2 TRP A 63 -4.933 10.515 -9.810 1.00 0.00 C ATOM 973 CZ3 TRP A 63 -5.969 10.408 -11.990 1.00 0.00 C ATOM 974 CH2 TRP A 63 -5.098 11.016 -11.075 1.00 0.00 C ATOM 0 H TRP A 63 -10.636 7.441 -9.218 1.00 0.00 H new ATOM 0 HA TRP A 63 -9.067 8.059 -11.625 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.417 5.973 -9.487 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -7.609 6.068 -11.040 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.821 6.902 -7.675 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -5.173 8.884 -7.454 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.355 8.823 -12.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.260 10.982 -9.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -6.077 10.828 -12.979 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -4.547 11.896 -11.373 1.00 0.00 H new ATOM 985 N CYS A 64 -11.323 5.876 -11.013 1.00 0.00 N ATOM 986 CA CYS A 64 -12.136 4.836 -11.632 1.00 0.00 C ATOM 987 C CYS A 64 -13.622 5.053 -11.434 1.00 0.00 C ATOM 988 O CYS A 64 -14.051 5.752 -10.519 1.00 0.00 O ATOM 989 CB CYS A 64 -11.749 3.462 -11.080 1.00 0.00 C ATOM 990 SG CYS A 64 -12.627 2.979 -9.553 1.00 0.00 S ATOM 0 H CYS A 64 -11.703 6.272 -10.153 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.937 4.884 -12.703 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.940 2.711 -11.846 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -10.677 3.453 -10.885 1.00 0.00 H new ATOM 995 N ASN A 65 -14.404 4.434 -12.309 1.00 0.00 N ATOM 996 CA ASN A 65 -15.857 4.538 -12.247 1.00 0.00 C ATOM 997 C ASN A 65 -16.445 3.322 -11.539 1.00 0.00 C ATOM 998 O ASN A 65 -16.485 2.225 -12.094 1.00 0.00 O ATOM 999 CB ASN A 65 -16.444 4.658 -13.655 1.00 0.00 C ATOM 1000 CG ASN A 65 -17.933 4.943 -13.637 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -18.356 6.093 -13.521 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -18.737 3.892 -13.753 1.00 0.00 N ATOM 0 H ASN A 65 -14.056 3.853 -13.072 1.00 0.00 H new ATOM 0 HA ASN A 65 -16.115 5.434 -11.682 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.931 5.455 -14.193 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.260 3.734 -14.203 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -19.749 4.021 -13.748 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -18.343 2.956 -13.847 1.00 0.00 H new ATOM 1009 N ASP A 66 -16.895 3.525 -10.306 1.00 0.00 N ATOM 1010 CA ASP A 66 -17.474 2.445 -9.517 1.00 0.00 C ATOM 1011 C ASP A 66 -18.992 2.578 -9.433 1.00 0.00 C ATOM 1012 O ASP A 66 -19.677 1.678 -8.947 1.00 0.00 O ATOM 1013 CB ASP A 66 -16.866 2.425 -8.114 1.00 0.00 C ATOM 1014 CG ASP A 66 -17.252 3.641 -7.292 1.00 0.00 C ATOM 1015 OD1 ASP A 66 -17.617 4.674 -7.893 1.00 0.00 O ATOM 1016 OD2 ASP A 66 -17.189 3.559 -6.048 1.00 0.00 O ATOM 0 H ASP A 66 -16.870 4.428 -9.831 1.00 0.00 H new ATOM 0 HA ASP A 66 -17.243 1.503 -10.015 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -17.190 1.523 -7.595 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.780 2.375 -8.194 1.00 0.00 H new ATOM 1021 N GLY A 67 -19.512 3.702 -9.919 1.00 0.00 N ATOM 1022 CA GLY A 67 -20.945 3.929 -9.900 1.00 0.00 C ATOM 1023 C GLY A 67 -21.478 4.251 -8.516 1.00 0.00 C ATOM 1024 O GLY A 67 -22.624 4.681 -8.373 1.00 0.00 O ATOM 0 H GLY A 67 -18.965 4.460 -10.326 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -21.186 4.750 -10.576 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -21.452 3.043 -10.281 1.00 0.00 H new ATOM 1028 N ARG A 68 -20.655 4.043 -7.493 1.00 0.00 N ATOM 1029 CA ARG A 68 -21.061 4.315 -6.119 1.00 0.00 C ATOM 1030 C ARG A 68 -20.945 5.802 -5.803 1.00 0.00 C ATOM 1031 O ARG A 68 -21.271 6.239 -4.699 1.00 0.00 O ATOM 1032 CB ARG A 68 -20.207 3.505 -5.141 1.00 0.00 C ATOM 1033 CG ARG A 68 -20.722 2.095 -4.909 1.00 0.00 C ATOM 1034 CD ARG A 68 -21.013 1.843 -3.438 1.00 0.00 C ATOM 1035 NE ARG A 68 -21.982 0.766 -3.248 1.00 0.00 N ATOM 1036 CZ ARG A 68 -21.644 -0.484 -2.946 1.00 0.00 C ATOM 1037 NH1 ARG A 68 -20.368 -0.813 -2.801 1.00 0.00 N ATOM 1038 NH2 ARG A 68 -22.584 -1.406 -2.789 1.00 0.00 N ATOM 0 H ARG A 68 -19.704 3.687 -7.590 1.00 0.00 H new ATOM 0 HA ARG A 68 -22.104 4.018 -6.009 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -19.186 3.452 -5.520 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -20.166 4.030 -4.186 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -21.629 1.937 -5.493 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -19.985 1.374 -5.264 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -20.086 1.591 -2.923 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -21.393 2.757 -2.982 1.00 0.00 H new ATOM 0 HE ARG A 68 -22.973 0.985 -3.353 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -19.642 -0.106 -2.921 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -20.112 -1.773 -2.569 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -23.567 -1.156 -2.900 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -22.324 -2.365 -2.557 1.00 0.00 H new ATOM 1052 N THR A 69 -20.479 6.573 -6.779 1.00 0.00 N ATOM 1053 CA THR A 69 -20.321 8.012 -6.606 1.00 0.00 C ATOM 1054 C THR A 69 -20.541 8.752 -7.924 1.00 0.00 C ATOM 1055 O THR A 69 -19.900 8.447 -8.929 1.00 0.00 O ATOM 1056 CB THR A 69 -18.924 8.364 -6.061 1.00 0.00 C ATOM 1057 OG1 THR A 69 -18.432 7.295 -5.243 1.00 0.00 O ATOM 1058 CG2 THR A 69 -18.969 9.650 -5.251 1.00 0.00 C ATOM 0 H THR A 69 -20.204 6.226 -7.698 1.00 0.00 H new ATOM 0 HA THR A 69 -21.074 8.327 -5.884 1.00 0.00 H new ATOM 0 HB THR A 69 -18.254 8.509 -6.908 1.00 0.00 H new ATOM 0 HG1 THR A 69 -17.543 7.527 -4.902 1.00 0.00 H new ATOM 0 HG21 THR A 69 -17.971 9.879 -4.876 1.00 0.00 H new ATOM 0 HG22 THR A 69 -19.315 10.467 -5.884 1.00 0.00 H new ATOM 0 HG23 THR A 69 -19.653 9.527 -4.411 1.00 0.00 H new ATOM 1066 N PRO A 70 -21.455 9.739 -7.937 1.00 0.00 N ATOM 1067 CA PRO A 70 -21.755 10.521 -9.139 1.00 0.00 C ATOM 1068 C PRO A 70 -20.666 11.541 -9.455 1.00 0.00 C ATOM 1069 O PRO A 70 -20.805 12.346 -10.375 1.00 0.00 O ATOM 1070 CB PRO A 70 -23.060 11.228 -8.778 1.00 0.00 C ATOM 1071 CG PRO A 70 -23.008 11.376 -7.297 1.00 0.00 C ATOM 1072 CD PRO A 70 -22.267 10.171 -6.781 1.00 0.00 C ATOM 0 HA PRO A 70 -21.822 9.895 -10.029 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -23.136 12.197 -9.271 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -23.927 10.644 -9.088 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -22.498 12.297 -7.015 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -24.012 11.426 -6.875 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -21.642 10.422 -5.924 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -22.952 9.387 -6.458 1.00 0.00 H new ATOM 1080 N GLY A 71 -19.583 11.502 -8.684 1.00 0.00 N ATOM 1081 CA GLY A 71 -18.487 12.428 -8.896 1.00 0.00 C ATOM 1082 C GLY A 71 -17.283 11.770 -9.541 1.00 0.00 C ATOM 1083 O GLY A 71 -16.252 12.411 -9.741 1.00 0.00 O ATOM 0 H GLY A 71 -19.446 10.845 -7.916 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -18.828 13.250 -9.526 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -18.191 12.860 -7.940 1.00 0.00 H new ATOM 1087 N SER A 72 -17.414 10.486 -9.862 1.00 0.00 N ATOM 1088 CA SER A 72 -16.327 9.737 -10.487 1.00 0.00 C ATOM 1089 C SER A 72 -15.832 10.443 -11.746 1.00 0.00 C ATOM 1090 O SER A 72 -16.518 10.463 -12.769 1.00 0.00 O ATOM 1091 CB SER A 72 -16.788 8.320 -10.831 1.00 0.00 C ATOM 1092 OG SER A 72 -16.601 7.442 -9.735 1.00 0.00 O ATOM 0 H SER A 72 -18.262 9.942 -9.700 1.00 0.00 H new ATOM 0 HA SER A 72 -15.503 9.681 -9.776 1.00 0.00 H new ATOM 0 HB2 SER A 72 -17.841 8.335 -11.113 1.00 0.00 H new ATOM 0 HB3 SER A 72 -16.232 7.953 -11.694 1.00 0.00 H new ATOM 0 HG SER A 72 -15.811 6.885 -9.893 1.00 0.00 H new ATOM 1098 N ARG A 73 -14.638 11.021 -11.663 1.00 0.00 N ATOM 1099 CA ARG A 73 -14.050 11.730 -12.793 1.00 0.00 C ATOM 1100 C ARG A 73 -13.633 10.759 -13.893 1.00 0.00 C ATOM 1101 O ARG A 73 -13.811 11.040 -15.079 1.00 0.00 O ATOM 1102 CB ARG A 73 -12.840 12.547 -12.335 1.00 0.00 C ATOM 1103 CG ARG A 73 -13.187 13.638 -11.333 1.00 0.00 C ATOM 1104 CD ARG A 73 -13.193 15.011 -11.984 1.00 0.00 C ATOM 1105 NE ARG A 73 -12.168 15.886 -11.423 1.00 0.00 N ATOM 1106 CZ ARG A 73 -11.873 17.086 -11.914 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -12.521 17.552 -12.974 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -10.927 17.823 -11.346 1.00 0.00 N ATOM 0 H ARG A 73 -14.058 11.012 -10.824 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.806 12.404 -13.197 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.106 11.876 -11.889 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.368 13.002 -13.206 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.166 13.436 -10.898 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -12.466 13.625 -10.515 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -13.031 14.904 -13.057 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -14.173 15.470 -11.853 1.00 0.00 H new ATOM 0 HE ARG A 73 -11.649 15.558 -10.608 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -13.248 16.989 -13.415 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -12.292 18.473 -13.348 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -10.425 17.469 -10.532 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -10.702 18.743 -11.724 1.00 0.00 H new ATOM 1122 N ASN A 74 -13.067 9.623 -13.489 1.00 0.00 N ATOM 1123 CA ASN A 74 -12.610 8.605 -14.435 1.00 0.00 C ATOM 1124 C ASN A 74 -11.398 9.115 -15.206 1.00 0.00 C ATOM 1125 O ASN A 74 -11.286 8.929 -16.417 1.00 0.00 O ATOM 1126 CB ASN A 74 -13.731 8.221 -15.405 1.00 0.00 C ATOM 1127 CG ASN A 74 -13.511 6.859 -16.033 1.00 0.00 C ATOM 1128 OD1 ASN A 74 -13.505 6.722 -17.257 1.00 0.00 O ATOM 1129 ND2 ASN A 74 -13.328 5.844 -15.197 1.00 0.00 N ATOM 0 H ASN A 74 -12.913 9.383 -12.510 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.326 7.715 -13.873 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.683 8.224 -14.875 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.801 8.973 -16.191 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -13.174 4.904 -15.562 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -13.341 6.004 -14.190 1.00 0.00 H new ATOM 1136 N LEU A 75 -10.488 9.750 -14.476 1.00 0.00 N ATOM 1137 CA LEU A 75 -9.265 10.287 -15.040 1.00 0.00 C ATOM 1138 C LEU A 75 -8.385 9.187 -15.570 1.00 0.00 C ATOM 1139 O LEU A 75 -7.830 9.251 -16.666 1.00 0.00 O ATOM 1140 CB LEU A 75 -8.509 10.993 -13.931 1.00 0.00 C ATOM 1141 CG LEU A 75 -8.769 12.493 -13.806 1.00 0.00 C ATOM 1142 CD1 LEU A 75 -8.035 13.066 -12.604 1.00 0.00 C ATOM 1143 CD2 LEU A 75 -8.359 13.218 -15.081 1.00 0.00 C ATOM 0 H LEU A 75 -10.583 9.905 -13.472 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.520 10.963 -15.856 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.763 10.518 -12.983 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.441 10.839 -14.089 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.838 12.643 -13.657 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.233 14.135 -12.533 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.381 12.571 -11.697 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.964 12.902 -12.720 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.552 14.285 -14.971 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.296 13.059 -15.264 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.934 12.830 -15.921 1.00 0.00 H new ATOM 1155 N CYS A 76 -8.267 8.192 -14.736 1.00 0.00 N ATOM 1156 CA CYS A 76 -7.465 7.031 -14.999 1.00 0.00 C ATOM 1157 C CYS A 76 -8.221 6.053 -15.889 1.00 0.00 C ATOM 1158 O CYS A 76 -7.623 5.333 -16.690 1.00 0.00 O ATOM 1159 CB CYS A 76 -7.138 6.418 -13.660 1.00 0.00 C ATOM 1160 SG CYS A 76 -5.498 5.647 -13.532 1.00 0.00 S ATOM 0 H CYS A 76 -8.738 8.166 -13.832 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.550 7.293 -15.530 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.217 7.192 -12.897 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -7.893 5.666 -13.430 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.544 6.043 -15.740 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.400 5.164 -16.526 1.00 0.00 C ATOM 1167 C ASN A 77 -9.967 3.720 -16.345 1.00 0.00 C ATOM 1168 O ASN A 77 -9.714 3.003 -17.313 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.350 5.549 -18.007 1.00 0.00 C ATOM 1170 CG ASN A 77 -11.494 4.949 -18.802 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -12.407 4.345 -18.239 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -11.449 5.111 -20.119 1.00 0.00 N ATOM 0 H ASN A 77 -10.046 6.637 -15.079 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.426 5.273 -16.176 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.379 6.635 -18.098 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.403 5.218 -18.433 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -12.190 4.728 -20.706 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -10.673 5.619 -20.544 1.00 0.00 H new ATOM 1179 N ILE A 78 -9.873 3.309 -15.090 1.00 0.00 N ATOM 1180 CA ILE A 78 -9.461 1.967 -14.759 1.00 0.00 C ATOM 1181 C ILE A 78 -10.602 1.202 -14.101 1.00 0.00 C ATOM 1182 O ILE A 78 -11.336 1.760 -13.291 1.00 0.00 O ATOM 1183 CB ILE A 78 -8.242 1.996 -13.814 1.00 0.00 C ATOM 1184 CG1 ILE A 78 -8.487 1.156 -12.555 1.00 0.00 C ATOM 1185 CG2 ILE A 78 -7.926 3.430 -13.440 1.00 0.00 C ATOM 1186 CD1 ILE A 78 -8.872 1.969 -11.336 1.00 0.00 C ATOM 0 H ILE A 78 -10.080 3.897 -14.282 1.00 0.00 H new ATOM 0 HA ILE A 78 -9.184 1.460 -15.683 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.391 1.560 -14.337 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.277 0.433 -12.761 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.585 0.587 -12.329 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.065 3.451 -12.772 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.700 4.000 -14.341 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.786 3.873 -12.937 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -9.028 1.302 -10.488 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.074 2.673 -11.102 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.792 2.517 -11.540 1.00 0.00 H new ATOM 1198 N PRO A 79 -10.761 -0.091 -14.409 1.00 0.00 N ATOM 1199 CA PRO A 79 -11.807 -0.899 -13.793 1.00 0.00 C ATOM 1200 C PRO A 79 -11.481 -1.127 -12.322 1.00 0.00 C ATOM 1201 O PRO A 79 -10.444 -1.703 -11.994 1.00 0.00 O ATOM 1202 CB PRO A 79 -11.771 -2.221 -14.577 1.00 0.00 C ATOM 1203 CG PRO A 79 -10.868 -1.978 -15.745 1.00 0.00 C ATOM 1204 CD PRO A 79 -9.938 -0.872 -15.336 1.00 0.00 C ATOM 0 HA PRO A 79 -12.790 -0.430 -13.827 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -11.396 -3.034 -13.955 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -12.770 -2.507 -14.908 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -10.311 -2.880 -16.000 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -11.442 -1.697 -16.628 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -9.038 -1.256 -14.855 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -9.614 -0.278 -16.190 1.00 0.00 H new ATOM 1212 N CYS A 80 -12.348 -0.651 -11.438 1.00 0.00 N ATOM 1213 CA CYS A 80 -12.122 -0.783 -10.005 1.00 0.00 C ATOM 1214 C CYS A 80 -12.095 -2.247 -9.565 1.00 0.00 C ATOM 1215 O CYS A 80 -11.085 -2.727 -9.053 1.00 0.00 O ATOM 1216 CB CYS A 80 -13.195 -0.007 -9.237 1.00 0.00 C ATOM 1217 SG CYS A 80 -13.836 1.450 -10.134 1.00 0.00 S ATOM 0 H CYS A 80 -13.213 -0.171 -11.687 1.00 0.00 H new ATOM 0 HA CYS A 80 -11.142 -0.362 -9.778 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -14.024 -0.678 -9.013 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -12.781 0.319 -8.283 1.00 0.00 H new ATOM 1222 N SER A 81 -13.210 -2.947 -9.742 1.00 0.00 N ATOM 1223 CA SER A 81 -13.310 -4.350 -9.340 1.00 0.00 C ATOM 1224 C SER A 81 -12.246 -5.226 -10.006 1.00 0.00 C ATOM 1225 O SER A 81 -11.885 -6.277 -9.474 1.00 0.00 O ATOM 1226 CB SER A 81 -14.702 -4.892 -9.669 1.00 0.00 C ATOM 1227 OG SER A 81 -14.854 -5.100 -11.062 1.00 0.00 O ATOM 0 H SER A 81 -14.059 -2.568 -10.161 1.00 0.00 H new ATOM 0 HA SER A 81 -13.140 -4.388 -8.264 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.865 -5.830 -9.139 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.460 -4.192 -9.318 1.00 0.00 H new ATOM 0 HG SER A 81 -15.752 -5.448 -11.245 1.00 0.00 H new ATOM 1233 N ALA A 82 -11.747 -4.803 -11.166 1.00 0.00 N ATOM 1234 CA ALA A 82 -10.729 -5.575 -11.880 1.00 0.00 C ATOM 1235 C ALA A 82 -9.361 -5.431 -11.221 1.00 0.00 C ATOM 1236 O ALA A 82 -8.430 -6.178 -11.523 1.00 0.00 O ATOM 1237 CB ALA A 82 -10.662 -5.148 -13.337 1.00 0.00 C ATOM 0 H ALA A 82 -12.027 -3.938 -11.629 1.00 0.00 H new ATOM 0 HA ALA A 82 -11.015 -6.626 -11.835 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.900 -5.732 -13.853 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.630 -5.316 -13.810 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.408 -4.089 -13.395 1.00 0.00 H new ATOM 1243 N LEU A 83 -9.253 -4.469 -10.314 1.00 0.00 N ATOM 1244 CA LEU A 83 -8.005 -4.224 -9.600 1.00 0.00 C ATOM 1245 C LEU A 83 -8.060 -4.846 -8.211 1.00 0.00 C ATOM 1246 O LEU A 83 -7.060 -4.890 -7.495 1.00 0.00 O ATOM 1247 CB LEU A 83 -7.731 -2.719 -9.497 1.00 0.00 C ATOM 1248 CG LEU A 83 -8.284 -2.030 -8.247 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -7.199 -1.889 -7.191 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -8.865 -0.670 -8.602 1.00 0.00 C ATOM 0 H LEU A 83 -10.016 -3.844 -10.054 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.191 -4.686 -10.159 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.653 -2.561 -9.530 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.152 -2.230 -10.376 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.082 -2.649 -7.837 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.611 -1.397 -6.310 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.829 -2.877 -6.916 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.379 -1.292 -7.590 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.254 -0.194 -7.702 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.086 -0.044 -9.036 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.673 -0.796 -9.323 1.00 0.00 H new ATOM 1262 N LEU A 84 -9.243 -5.312 -7.835 1.00 0.00 N ATOM 1263 CA LEU A 84 -9.452 -5.918 -6.528 1.00 0.00 C ATOM 1264 C LEU A 84 -9.790 -7.398 -6.656 1.00 0.00 C ATOM 1265 O LEU A 84 -10.652 -7.916 -5.946 1.00 0.00 O ATOM 1266 CB LEU A 84 -10.566 -5.168 -5.805 1.00 0.00 C ATOM 1267 CG LEU A 84 -10.586 -3.669 -6.096 1.00 0.00 C ATOM 1268 CD1 LEU A 84 -12.003 -3.123 -6.026 1.00 0.00 C ATOM 1269 CD2 LEU A 84 -9.671 -2.927 -5.134 1.00 0.00 C ATOM 0 H LEU A 84 -10.077 -5.281 -8.421 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.531 -5.846 -5.950 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -11.526 -5.597 -6.091 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.456 -5.319 -4.731 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.216 -3.512 -7.109 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -11.992 -2.054 -6.237 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.626 -3.631 -6.762 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.409 -3.292 -5.029 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.698 -1.860 -5.356 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -10.007 -3.093 -4.111 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.651 -3.295 -5.245 1.00 0.00 H new ATOM 1281 N SER A 85 -9.090 -8.072 -7.560 1.00 0.00 N ATOM 1282 CA SER A 85 -9.297 -9.502 -7.777 1.00 0.00 C ATOM 1283 C SER A 85 -7.996 -10.262 -7.584 1.00 0.00 C ATOM 1284 O SER A 85 -7.694 -11.217 -8.300 1.00 0.00 O ATOM 1285 CB SER A 85 -9.870 -9.763 -9.171 1.00 0.00 C ATOM 1286 OG SER A 85 -11.275 -9.588 -9.186 1.00 0.00 O ATOM 0 H SER A 85 -8.375 -7.654 -8.155 1.00 0.00 H new ATOM 0 HA SER A 85 -10.018 -9.858 -7.041 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.408 -9.086 -9.890 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.623 -10.777 -9.485 1.00 0.00 H new ATOM 0 HG SER A 85 -11.616 -9.759 -10.089 1.00 0.00 H new ATOM 1292 N SER A 86 -7.234 -9.794 -6.610 1.00 0.00 N ATOM 1293 CA SER A 86 -5.934 -10.368 -6.271 1.00 0.00 C ATOM 1294 C SER A 86 -4.955 -10.009 -7.365 1.00 0.00 C ATOM 1295 O SER A 86 -3.950 -10.685 -7.586 1.00 0.00 O ATOM 1296 CB SER A 86 -6.025 -11.888 -6.108 1.00 0.00 C ATOM 1297 OG SER A 86 -7.141 -12.250 -5.313 1.00 0.00 O ATOM 0 H SER A 86 -7.498 -9.000 -6.026 1.00 0.00 H new ATOM 0 HA SER A 86 -5.596 -9.962 -5.318 1.00 0.00 H new ATOM 0 HB2 SER A 86 -6.105 -12.358 -7.088 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.110 -12.263 -5.649 1.00 0.00 H new ATOM 0 HG SER A 86 -7.178 -13.225 -5.226 1.00 0.00 H new ATOM 1303 N ASP A 87 -5.304 -8.946 -8.068 1.00 0.00 N ATOM 1304 CA ASP A 87 -4.531 -8.458 -9.185 1.00 0.00 C ATOM 1305 C ASP A 87 -4.200 -6.981 -9.019 1.00 0.00 C ATOM 1306 O ASP A 87 -5.100 -6.144 -8.943 1.00 0.00 O ATOM 1307 CB ASP A 87 -5.362 -8.666 -10.439 1.00 0.00 C ATOM 1308 CG ASP A 87 -4.553 -8.531 -11.714 1.00 0.00 C ATOM 1309 OD1 ASP A 87 -3.500 -9.193 -11.822 1.00 0.00 O ATOM 1310 OD2 ASP A 87 -4.974 -7.763 -12.606 1.00 0.00 O ATOM 0 H ASP A 87 -6.141 -8.396 -7.874 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.586 -8.998 -9.247 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.817 -9.656 -10.407 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.176 -7.941 -10.453 1.00 0.00 H new ATOM 1315 N ILE A 88 -2.911 -6.656 -8.969 1.00 0.00 N ATOM 1316 CA ILE A 88 -2.493 -5.269 -8.819 1.00 0.00 C ATOM 1317 C ILE A 88 -2.282 -4.612 -10.173 1.00 0.00 C ATOM 1318 O ILE A 88 -2.044 -3.412 -10.249 1.00 0.00 O ATOM 1319 CB ILE A 88 -1.196 -5.133 -7.998 1.00 0.00 C ATOM 1320 CG1 ILE A 88 -0.310 -6.371 -8.169 1.00 0.00 C ATOM 1321 CG2 ILE A 88 -1.525 -4.902 -6.533 1.00 0.00 C ATOM 1322 CD1 ILE A 88 1.172 -6.056 -8.175 1.00 0.00 C ATOM 0 H ILE A 88 -2.146 -7.328 -9.030 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.299 -4.767 -8.283 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.641 -4.271 -8.368 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.521 -7.073 -7.363 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.571 -6.869 -9.102 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.601 -4.808 -5.963 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.109 -3.987 -6.431 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.101 -5.745 -6.152 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.739 -6.978 -8.300 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.396 -5.378 -8.998 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.448 -5.585 -7.231 1.00 0.00 H new ATOM 1334 N THR A 89 -2.361 -5.404 -11.239 1.00 0.00 N ATOM 1335 CA THR A 89 -2.169 -4.889 -12.590 1.00 0.00 C ATOM 1336 C THR A 89 -2.948 -3.597 -12.809 1.00 0.00 C ATOM 1337 O THR A 89 -2.381 -2.585 -13.217 1.00 0.00 O ATOM 1338 CB THR A 89 -2.601 -5.920 -13.650 1.00 0.00 C ATOM 1339 OG1 THR A 89 -2.176 -7.232 -13.260 1.00 0.00 O ATOM 1340 CG2 THR A 89 -2.015 -5.576 -15.010 1.00 0.00 C ATOM 0 H THR A 89 -2.557 -6.404 -11.193 1.00 0.00 H new ATOM 0 HA THR A 89 -1.103 -4.687 -12.699 1.00 0.00 H new ATOM 0 HB THR A 89 -3.688 -5.898 -13.724 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.456 -7.882 -13.938 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.334 -6.318 -15.742 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.363 -4.590 -15.317 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.927 -5.573 -14.947 1.00 0.00 H new ATOM 1348 N ALA A 90 -4.251 -3.641 -12.550 1.00 0.00 N ATOM 1349 CA ALA A 90 -5.104 -2.482 -12.729 1.00 0.00 C ATOM 1350 C ALA A 90 -4.719 -1.340 -11.789 1.00 0.00 C ATOM 1351 O ALA A 90 -4.656 -0.179 -12.201 1.00 0.00 O ATOM 1352 CB ALA A 90 -6.561 -2.867 -12.536 1.00 0.00 C ATOM 0 H ALA A 90 -4.736 -4.473 -12.214 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.964 -2.122 -13.748 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.191 -1.988 -12.673 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -6.836 -3.628 -13.266 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.703 -3.262 -11.530 1.00 0.00 H new ATOM 1358 N SER A 91 -4.447 -1.674 -10.528 1.00 0.00 N ATOM 1359 CA SER A 91 -4.056 -0.672 -9.538 1.00 0.00 C ATOM 1360 C SER A 91 -2.740 -0.016 -9.921 1.00 0.00 C ATOM 1361 O SER A 91 -2.537 1.178 -9.696 1.00 0.00 O ATOM 1362 CB SER A 91 -3.935 -1.309 -8.153 1.00 0.00 C ATOM 1363 OG SER A 91 -4.343 -2.666 -8.177 1.00 0.00 O ATOM 0 H SER A 91 -4.490 -2.628 -10.169 1.00 0.00 H new ATOM 0 HA SER A 91 -4.831 0.094 -9.511 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.903 -1.243 -7.808 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.546 -0.755 -7.440 1.00 0.00 H new ATOM 0 HG SER A 91 -4.254 -3.050 -7.280 1.00 0.00 H new ATOM 1369 N VAL A 92 -1.848 -0.802 -10.503 1.00 0.00 N ATOM 1370 CA VAL A 92 -0.562 -0.277 -10.908 1.00 0.00 C ATOM 1371 C VAL A 92 -0.696 0.582 -12.145 1.00 0.00 C ATOM 1372 O VAL A 92 -0.248 1.713 -12.152 1.00 0.00 O ATOM 1373 CB VAL A 92 0.490 -1.363 -11.185 1.00 0.00 C ATOM 1374 CG1 VAL A 92 1.716 -0.734 -11.847 1.00 0.00 C ATOM 1375 CG2 VAL A 92 0.875 -2.080 -9.898 1.00 0.00 C ATOM 0 H VAL A 92 -1.991 -1.792 -10.702 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.216 0.314 -10.060 1.00 0.00 H new ATOM 0 HB VAL A 92 0.066 -2.104 -11.863 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.460 -1.506 -12.042 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.422 -0.267 -12.787 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.141 0.020 -11.184 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.621 -2.845 -10.116 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.289 -1.361 -9.191 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.008 -2.548 -9.464 1.00 0.00 H new ATOM 1385 N ASN A 93 -1.320 0.045 -13.187 1.00 0.00 N ATOM 1386 CA ASN A 93 -1.503 0.786 -14.409 1.00 0.00 C ATOM 1387 C ASN A 93 -1.902 2.217 -14.097 1.00 0.00 C ATOM 1388 O ASN A 93 -1.396 3.171 -14.694 1.00 0.00 O ATOM 1389 CB ASN A 93 -2.544 0.101 -15.276 1.00 0.00 C ATOM 1390 CG ASN A 93 -3.712 1.001 -15.633 1.00 0.00 C ATOM 1391 OD1 ASN A 93 -4.729 1.022 -14.939 1.00 0.00 O ATOM 1392 ND2 ASN A 93 -3.571 1.750 -16.720 1.00 0.00 N ATOM 0 H ASN A 93 -1.704 -0.900 -13.201 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.563 0.812 -14.961 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.070 -0.249 -16.193 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.919 -0.780 -14.755 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.323 2.375 -17.010 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.710 1.700 -17.265 1.00 0.00 H new ATOM 1399 N CYS A 94 -2.797 2.353 -13.129 1.00 0.00 N ATOM 1400 CA CYS A 94 -3.256 3.657 -12.704 1.00 0.00 C ATOM 1401 C CYS A 94 -2.113 4.461 -12.099 1.00 0.00 C ATOM 1402 O CYS A 94 -1.914 5.622 -12.451 1.00 0.00 O ATOM 1403 CB CYS A 94 -4.388 3.523 -11.690 1.00 0.00 C ATOM 1404 SG CYS A 94 -5.460 4.987 -11.612 1.00 0.00 S ATOM 0 H CYS A 94 -3.217 1.572 -12.626 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.629 4.185 -13.582 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -4.992 2.652 -11.944 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -3.963 3.340 -10.703 1.00 0.00 H new ATOM 1409 N ALA A 95 -1.362 3.841 -11.187 1.00 0.00 N ATOM 1410 CA ALA A 95 -0.245 4.526 -10.545 1.00 0.00 C ATOM 1411 C ALA A 95 0.888 4.764 -11.526 1.00 0.00 C ATOM 1412 O ALA A 95 1.484 5.832 -11.532 1.00 0.00 O ATOM 1413 CB ALA A 95 0.248 3.771 -9.337 1.00 0.00 C ATOM 0 H ALA A 95 -1.506 2.879 -10.881 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.612 5.495 -10.206 1.00 0.00 H new ATOM 0 HB1 ALA A 95 1.080 4.311 -8.885 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.560 3.677 -8.612 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.581 2.778 -9.639 1.00 0.00 H new ATOM 1419 N LYS A 96 1.169 3.782 -12.377 1.00 0.00 N ATOM 1420 CA LYS A 96 2.206 3.939 -13.379 1.00 0.00 C ATOM 1421 C LYS A 96 1.954 5.275 -14.066 1.00 0.00 C ATOM 1422 O LYS A 96 2.870 6.032 -14.401 1.00 0.00 O ATOM 1423 CB LYS A 96 2.150 2.799 -14.398 1.00 0.00 C ATOM 1424 CG LYS A 96 3.519 2.289 -14.816 1.00 0.00 C ATOM 1425 CD LYS A 96 3.436 0.896 -15.417 1.00 0.00 C ATOM 1426 CE LYS A 96 3.339 0.947 -16.932 1.00 0.00 C ATOM 1427 NZ LYS A 96 4.664 0.749 -17.581 1.00 0.00 N ATOM 0 H LYS A 96 0.695 2.879 -12.390 1.00 0.00 H new ATOM 0 HA LYS A 96 3.194 3.913 -12.920 1.00 0.00 H new ATOM 0 HB2 LYS A 96 1.577 1.973 -13.976 1.00 0.00 H new ATOM 0 HB3 LYS A 96 1.613 3.140 -15.283 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.957 2.974 -15.542 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.182 2.274 -13.951 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.315 0.321 -15.127 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.567 0.376 -15.013 1.00 0.00 H new ATOM 0 HE2 LYS A 96 2.647 0.179 -17.277 1.00 0.00 H new ATOM 0 HE3 LYS A 96 2.926 1.908 -17.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.532 0.605 -18.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 5.257 1.589 -17.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 5.130 -0.085 -17.171 1.00 0.00 H new ATOM 1441 N LYS A 97 0.661 5.556 -14.201 1.00 0.00 N ATOM 1442 CA LYS A 97 0.186 6.800 -14.783 1.00 0.00 C ATOM 1443 C LYS A 97 0.225 7.912 -13.740 1.00 0.00 C ATOM 1444 O LYS A 97 0.493 9.069 -14.064 1.00 0.00 O ATOM 1445 CB LYS A 97 -1.234 6.633 -15.327 1.00 0.00 C ATOM 1446 CG LYS A 97 -1.542 7.535 -16.510 1.00 0.00 C ATOM 1447 CD LYS A 97 -2.914 8.177 -16.380 1.00 0.00 C ATOM 1448 CE LYS A 97 -3.759 7.940 -17.622 1.00 0.00 C ATOM 1449 NZ LYS A 97 -4.725 9.049 -17.856 1.00 0.00 N ATOM 0 H LYS A 97 -0.085 4.925 -13.909 1.00 0.00 H new ATOM 0 HA LYS A 97 0.841 7.068 -15.612 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.380 5.595 -15.625 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.947 6.839 -14.528 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.781 8.312 -16.584 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.496 6.956 -17.432 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.426 7.771 -15.507 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.802 9.248 -16.214 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.108 7.837 -18.490 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.303 7.001 -17.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.033 9.037 -18.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.551 8.927 -17.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.267 9.959 -17.647 1.00 0.00 H new ATOM 1463 N ILE A 98 -0.025 7.549 -12.482 1.00 0.00 N ATOM 1464 CA ILE A 98 0.001 8.517 -11.394 1.00 0.00 C ATOM 1465 C ILE A 98 1.393 9.135 -11.271 1.00 0.00 C ATOM 1466 O ILE A 98 1.547 10.356 -11.242 1.00 0.00 O ATOM 1467 CB ILE A 98 -0.411 7.890 -10.045 1.00 0.00 C ATOM 1468 CG1 ILE A 98 -1.882 7.464 -10.088 1.00 0.00 C ATOM 1469 CG2 ILE A 98 -0.186 8.878 -8.909 1.00 0.00 C ATOM 1470 CD1 ILE A 98 -2.322 6.675 -8.873 1.00 0.00 C ATOM 0 H ILE A 98 -0.246 6.595 -12.195 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.727 9.292 -11.635 1.00 0.00 H new ATOM 0 HB ILE A 98 0.207 7.010 -9.869 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.506 8.353 -10.179 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.051 6.863 -10.982 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.481 8.420 -7.965 1.00 0.00 H new ATOM 0 HG22 ILE A 98 0.869 9.149 -8.866 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.784 9.773 -9.081 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.374 6.408 -8.974 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.724 5.768 -8.792 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.186 7.281 -7.977 1.00 0.00 H new ATOM 1482 N VAL A 99 2.400 8.270 -11.196 1.00 0.00 N ATOM 1483 CA VAL A 99 3.785 8.705 -11.073 1.00 0.00 C ATOM 1484 C VAL A 99 4.297 9.301 -12.381 1.00 0.00 C ATOM 1485 O VAL A 99 5.225 10.111 -12.378 1.00 0.00 O ATOM 1486 CB VAL A 99 4.707 7.553 -10.631 1.00 0.00 C ATOM 1487 CG1 VAL A 99 5.087 6.669 -11.809 1.00 0.00 C ATOM 1488 CG2 VAL A 99 5.949 8.102 -9.943 1.00 0.00 C ATOM 0 H VAL A 99 2.280 7.257 -11.219 1.00 0.00 H new ATOM 0 HA VAL A 99 3.804 9.476 -10.303 1.00 0.00 H new ATOM 0 HB VAL A 99 4.160 6.936 -9.918 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.738 5.865 -11.466 1.00 0.00 H new ATOM 0 HG12 VAL A 99 4.186 6.243 -12.250 1.00 0.00 H new ATOM 0 HG13 VAL A 99 5.610 7.265 -12.557 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.590 7.276 -9.637 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.493 8.747 -10.634 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.654 8.677 -9.065 1.00 0.00 H new ATOM 1498 N SER A 100 3.677 8.917 -13.497 1.00 0.00 N ATOM 1499 CA SER A 100 4.072 9.444 -14.800 1.00 0.00 C ATOM 1500 C SER A 100 3.317 10.738 -15.096 1.00 0.00 C ATOM 1501 O SER A 100 3.583 11.412 -16.092 1.00 0.00 O ATOM 1502 CB SER A 100 3.801 8.417 -15.900 1.00 0.00 C ATOM 1503 OG SER A 100 4.961 7.655 -16.183 1.00 0.00 O ATOM 0 H SER A 100 2.907 8.249 -13.524 1.00 0.00 H new ATOM 0 HA SER A 100 5.141 9.654 -14.776 1.00 0.00 H new ATOM 0 HB2 SER A 100 2.993 7.754 -15.592 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.468 8.927 -16.804 1.00 0.00 H new ATOM 0 HG SER A 100 4.812 7.119 -16.990 1.00 0.00 H new ATOM 1509 N ASP A 101 2.373 11.074 -14.220 1.00 0.00 N ATOM 1510 CA ASP A 101 1.569 12.283 -14.376 1.00 0.00 C ATOM 1511 C ASP A 101 2.263 13.489 -13.750 1.00 0.00 C ATOM 1512 O ASP A 101 1.824 14.626 -13.920 1.00 0.00 O ATOM 1513 CB ASP A 101 0.191 12.089 -13.742 1.00 0.00 C ATOM 1514 CG ASP A 101 -0.819 13.107 -14.235 1.00 0.00 C ATOM 1515 OD1 ASP A 101 -1.323 12.945 -15.366 1.00 0.00 O ATOM 1516 OD2 ASP A 101 -1.107 14.067 -13.488 1.00 0.00 O ATOM 0 H ASP A 101 2.146 10.523 -13.392 1.00 0.00 H new ATOM 0 HA ASP A 101 1.450 12.471 -15.443 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.170 11.085 -13.964 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.279 12.163 -12.658 1.00 0.00 H new ATOM 1521 N GLY A 102 3.352 13.235 -13.029 1.00 0.00 N ATOM 1522 CA GLY A 102 4.087 14.315 -12.396 1.00 0.00 C ATOM 1523 C GLY A 102 4.441 14.024 -10.951 1.00 0.00 C ATOM 1524 O GLY A 102 5.223 14.754 -10.341 1.00 0.00 O ATOM 0 H GLY A 102 3.737 12.304 -12.873 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.002 14.502 -12.958 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.492 15.227 -12.442 1.00 0.00 H new ATOM 1528 N ASN A 103 3.870 12.957 -10.398 1.00 0.00 N ATOM 1529 CA ASN A 103 4.139 12.579 -9.015 1.00 0.00 C ATOM 1530 C ASN A 103 5.575 12.086 -8.863 1.00 0.00 C ATOM 1531 O ASN A 103 6.467 12.546 -9.575 1.00 0.00 O ATOM 1532 CB ASN A 103 3.147 11.510 -8.557 1.00 0.00 C ATOM 1533 CG ASN A 103 1.832 12.117 -8.111 1.00 0.00 C ATOM 1534 OD1 ASN A 103 1.792 12.929 -7.187 1.00 0.00 O ATOM 1535 ND2 ASN A 103 0.747 11.729 -8.769 1.00 0.00 N ATOM 0 H ASN A 103 3.220 12.341 -10.886 1.00 0.00 H new ATOM 0 HA ASN A 103 4.015 13.458 -8.383 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.966 10.809 -9.372 1.00 0.00 H new ATOM 0 HB3 ASN A 103 3.581 10.939 -7.736 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -0.166 12.106 -8.515 1.00 0.00 H new ATOM 0 HD22 ASN A 103 0.826 11.053 -9.529 1.00 0.00 H new ATOM 1542 N GLY A 104 5.807 11.158 -7.938 1.00 0.00 N ATOM 1543 CA GLY A 104 7.149 10.644 -7.734 1.00 0.00 C ATOM 1544 C GLY A 104 7.307 9.990 -6.373 1.00 0.00 C ATOM 1545 O GLY A 104 8.321 10.186 -5.701 1.00 0.00 O ATOM 0 H GLY A 104 5.094 10.755 -7.330 1.00 0.00 H new ATOM 0 HA2 GLY A 104 7.382 9.919 -8.514 1.00 0.00 H new ATOM 0 HA3 GLY A 104 7.868 11.458 -7.831 1.00 0.00 H new ATOM 1549 N MET A 105 6.284 9.233 -5.962 1.00 0.00 N ATOM 1550 CA MET A 105 6.267 8.555 -4.668 1.00 0.00 C ATOM 1551 C MET A 105 5.859 9.537 -3.590 1.00 0.00 C ATOM 1552 O MET A 105 5.864 9.221 -2.400 1.00 0.00 O ATOM 1553 CB MET A 105 7.630 7.934 -4.339 1.00 0.00 C ATOM 1554 CG MET A 105 8.189 7.060 -5.450 1.00 0.00 C ATOM 1555 SD MET A 105 6.925 6.056 -6.254 1.00 0.00 S ATOM 1556 CE MET A 105 6.255 5.172 -4.849 1.00 0.00 C ATOM 0 H MET A 105 5.445 9.075 -6.520 1.00 0.00 H new ATOM 0 HA MET A 105 5.542 7.742 -4.715 1.00 0.00 H new ATOM 0 HB2 MET A 105 8.341 8.732 -4.125 1.00 0.00 H new ATOM 0 HB3 MET A 105 7.538 7.337 -3.431 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.672 7.692 -6.195 1.00 0.00 H new ATOM 0 HG3 MET A 105 8.959 6.406 -5.039 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.155 4.116 -5.098 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.925 5.282 -3.997 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.276 5.579 -4.596 1.00 0.00 H new ATOM 1566 N ASN A 106 5.505 10.735 -4.029 1.00 0.00 N ATOM 1567 CA ASN A 106 5.087 11.799 -3.137 1.00 0.00 C ATOM 1568 C ASN A 106 3.567 11.839 -2.995 1.00 0.00 C ATOM 1569 O ASN A 106 3.043 12.254 -1.962 1.00 0.00 O ATOM 1570 CB ASN A 106 5.593 13.131 -3.677 1.00 0.00 C ATOM 1571 CG ASN A 106 6.951 13.509 -3.120 1.00 0.00 C ATOM 1572 OD1 ASN A 106 7.864 12.685 -3.067 1.00 0.00 O ATOM 1573 ND2 ASN A 106 7.091 14.761 -2.700 1.00 0.00 N ATOM 0 H ASN A 106 5.500 10.995 -5.015 1.00 0.00 H new ATOM 0 HA ASN A 106 5.509 11.611 -2.150 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.652 13.079 -4.764 1.00 0.00 H new ATOM 0 HB3 ASN A 106 4.874 13.914 -3.434 1.00 0.00 H new ATOM 0 HD21 ASN A 106 7.982 15.073 -2.315 1.00 0.00 H new ATOM 0 HD22 ASN A 106 6.307 15.411 -2.763 1.00 0.00 H new ATOM 1580 N ALA A 107 2.869 11.403 -4.040 1.00 0.00 N ATOM 1581 CA ALA A 107 1.410 11.387 -4.030 1.00 0.00 C ATOM 1582 C ALA A 107 0.887 10.608 -2.832 1.00 0.00 C ATOM 1583 O ALA A 107 -0.054 11.032 -2.160 1.00 0.00 O ATOM 1584 CB ALA A 107 0.879 10.784 -5.320 1.00 0.00 C ATOM 0 H ALA A 107 3.289 11.057 -4.902 1.00 0.00 H new ATOM 0 HA ALA A 107 1.058 12.416 -3.952 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -0.211 10.779 -5.298 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.222 11.378 -6.167 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.245 9.762 -5.421 1.00 0.00 H new ATOM 1590 N TRP A 108 1.508 9.465 -2.574 1.00 0.00 N ATOM 1591 CA TRP A 108 1.118 8.613 -1.462 1.00 0.00 C ATOM 1592 C TRP A 108 1.710 9.135 -0.152 1.00 0.00 C ATOM 1593 O TRP A 108 2.916 9.355 -0.043 1.00 0.00 O ATOM 1594 CB TRP A 108 1.556 7.176 -1.742 1.00 0.00 C ATOM 1595 CG TRP A 108 1.053 6.675 -3.066 1.00 0.00 C ATOM 1596 CD1 TRP A 108 -0.161 6.102 -3.316 1.00 0.00 C ATOM 1597 CD2 TRP A 108 1.742 6.718 -4.323 1.00 0.00 C ATOM 1598 NE1 TRP A 108 -0.268 5.781 -4.649 1.00 0.00 N ATOM 1599 CE2 TRP A 108 0.886 6.149 -5.288 1.00 0.00 C ATOM 1600 CE3 TRP A 108 2.998 7.180 -4.727 1.00 0.00 C ATOM 1601 CZ2 TRP A 108 1.247 6.033 -6.630 1.00 0.00 C ATOM 1602 CZ3 TRP A 108 3.354 7.065 -6.058 1.00 0.00 C ATOM 1603 CH2 TRP A 108 2.482 6.495 -6.995 1.00 0.00 C ATOM 0 H TRP A 108 2.288 9.106 -3.124 1.00 0.00 H new ATOM 0 HA TRP A 108 0.033 8.628 -1.357 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.644 7.120 -1.725 1.00 0.00 H new ATOM 0 HB3 TRP A 108 1.191 6.526 -0.947 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -0.926 5.926 -2.574 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.075 5.341 -5.090 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.678 7.619 -4.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 0.577 5.595 -7.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 4.321 7.421 -6.381 1.00 0.00 H new ATOM 0 HH2 TRP A 108 2.791 6.419 -8.027 1.00 0.00 H new ATOM 1614 N VAL A 109 0.836 9.360 0.824 1.00 0.00 N ATOM 1615 CA VAL A 109 1.235 9.895 2.125 1.00 0.00 C ATOM 1616 C VAL A 109 1.973 8.884 2.994 1.00 0.00 C ATOM 1617 O VAL A 109 2.746 9.269 3.872 1.00 0.00 O ATOM 1618 CB VAL A 109 0.031 10.398 2.915 1.00 0.00 C ATOM 1619 CG1 VAL A 109 0.369 11.685 3.652 1.00 0.00 C ATOM 1620 CG2 VAL A 109 -1.184 10.590 2.017 1.00 0.00 C ATOM 0 H VAL A 109 -0.164 9.178 0.738 1.00 0.00 H new ATOM 0 HA VAL A 109 1.913 10.716 1.892 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.222 9.637 3.653 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.504 12.026 4.209 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.192 11.503 4.343 1.00 0.00 H new ATOM 0 HG13 VAL A 109 0.662 12.450 2.933 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.023 10.949 2.612 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.951 11.319 1.241 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.448 9.639 1.554 1.00 0.00 H new ATOM 1630 N ALA A 110 1.746 7.602 2.759 1.00 0.00 N ATOM 1631 CA ALA A 110 2.409 6.565 3.542 1.00 0.00 C ATOM 1632 C ALA A 110 3.902 6.544 3.255 1.00 0.00 C ATOM 1633 O ALA A 110 4.698 6.084 4.075 1.00 0.00 O ATOM 1634 CB ALA A 110 1.792 5.205 3.262 1.00 0.00 C ATOM 0 H ALA A 110 1.113 7.253 2.039 1.00 0.00 H new ATOM 0 HA ALA A 110 2.268 6.795 4.598 1.00 0.00 H new ATOM 0 HB1 ALA A 110 2.301 4.445 3.856 1.00 0.00 H new ATOM 0 HB2 ALA A 110 0.735 5.224 3.526 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.898 4.969 2.203 1.00 0.00 H new ATOM 1640 N TRP A 111 4.275 7.061 2.094 1.00 0.00 N ATOM 1641 CA TRP A 111 5.676 7.116 1.711 1.00 0.00 C ATOM 1642 C TRP A 111 6.320 8.383 2.260 1.00 0.00 C ATOM 1643 O TRP A 111 7.478 8.367 2.674 1.00 0.00 O ATOM 1644 CB TRP A 111 5.834 7.041 0.188 1.00 0.00 C ATOM 1645 CG TRP A 111 7.263 7.075 -0.269 1.00 0.00 C ATOM 1646 CD1 TRP A 111 8.041 6.003 -0.599 1.00 0.00 C ATOM 1647 CD2 TRP A 111 8.086 8.237 -0.449 1.00 0.00 C ATOM 1648 NE1 TRP A 111 9.295 6.426 -0.971 1.00 0.00 N ATOM 1649 CE2 TRP A 111 9.346 7.792 -0.889 1.00 0.00 C ATOM 1650 CE3 TRP A 111 7.878 9.609 -0.282 1.00 0.00 C ATOM 1651 CZ2 TRP A 111 10.393 8.669 -1.162 1.00 0.00 C ATOM 1652 CZ3 TRP A 111 8.918 10.479 -0.554 1.00 0.00 C ATOM 1653 CH2 TRP A 111 10.161 10.005 -0.991 1.00 0.00 C ATOM 0 H TRP A 111 3.630 7.447 1.404 1.00 0.00 H new ATOM 0 HA TRP A 111 6.184 6.252 2.140 1.00 0.00 H new ATOM 0 HB2 TRP A 111 5.367 6.124 -0.173 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.296 7.873 -0.266 1.00 0.00 H new ATOM 0 HD1 TRP A 111 7.718 4.973 -0.572 1.00 0.00 H new ATOM 0 HE1 TRP A 111 10.063 5.821 -1.261 1.00 0.00 H new ATOM 0 HE3 TRP A 111 6.922 9.983 0.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 11.354 8.306 -1.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.769 11.541 -0.427 1.00 0.00 H new ATOM 0 HH2 TRP A 111 10.953 10.710 -1.197 1.00 0.00 H new ATOM 1664 N ARG A 112 5.565 9.482 2.287 1.00 0.00 N ATOM 1665 CA ARG A 112 6.070 10.743 2.814 1.00 0.00 C ATOM 1666 C ARG A 112 5.715 10.895 4.290 1.00 0.00 C ATOM 1667 O ARG A 112 5.276 11.961 4.725 1.00 0.00 O ATOM 1668 CB ARG A 112 5.482 11.907 2.033 1.00 0.00 C ATOM 1669 CG ARG A 112 6.429 12.496 1.002 1.00 0.00 C ATOM 1670 CD ARG A 112 6.374 14.015 0.999 1.00 0.00 C ATOM 1671 NE ARG A 112 7.577 14.605 0.418 1.00 0.00 N ATOM 1672 CZ ARG A 112 7.704 15.899 0.140 1.00 0.00 C ATOM 1673 NH1 ARG A 112 6.706 16.736 0.390 1.00 0.00 N ATOM 1674 NH2 ARG A 112 8.831 16.358 -0.387 1.00 0.00 N ATOM 0 H ARG A 112 4.603 9.521 1.950 1.00 0.00 H new ATOM 0 HA ARG A 112 7.155 10.743 2.711 1.00 0.00 H new ATOM 0 HB2 ARG A 112 4.575 11.573 1.530 1.00 0.00 H new ATOM 0 HB3 ARG A 112 5.189 12.690 2.732 1.00 0.00 H new ATOM 0 HG2 ARG A 112 7.447 12.168 1.212 1.00 0.00 H new ATOM 0 HG3 ARG A 112 6.171 12.120 0.012 1.00 0.00 H new ATOM 0 HD2 ARG A 112 5.501 14.345 0.437 1.00 0.00 H new ATOM 0 HD3 ARG A 112 6.250 14.375 2.020 1.00 0.00 H new ATOM 0 HE ARG A 112 8.364 13.990 0.214 1.00 0.00 H new ATOM 0 HH11 ARG A 112 5.838 16.388 0.797 1.00 0.00 H new ATOM 0 HH12 ARG A 112 6.807 17.728 0.176 1.00 0.00 H new ATOM 0 HH21 ARG A 112 9.602 15.718 -0.580 1.00 0.00 H new ATOM 0 HH22 ARG A 112 8.927 17.351 -0.600 1.00 0.00 H new ATOM 1688 N ASN A 113 5.910 9.835 5.051 1.00 0.00 N ATOM 1689 CA ASN A 113 5.610 9.861 6.478 1.00 0.00 C ATOM 1690 C ASN A 113 6.469 8.861 7.237 1.00 0.00 C ATOM 1691 O ASN A 113 7.285 9.236 8.079 1.00 0.00 O ATOM 1692 CB ASN A 113 4.130 9.560 6.715 1.00 0.00 C ATOM 1693 CG ASN A 113 3.640 10.084 8.050 1.00 0.00 C ATOM 1694 OD1 ASN A 113 3.579 11.294 8.271 1.00 0.00 O ATOM 1695 ND2 ASN A 113 3.286 9.175 8.950 1.00 0.00 N ATOM 0 H ASN A 113 6.274 8.945 4.710 1.00 0.00 H new ATOM 0 HA ASN A 113 5.837 10.860 6.850 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.539 10.005 5.914 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.969 8.483 6.670 1.00 0.00 H new ATOM 0 HD21 ASN A 113 2.948 9.469 9.866 1.00 0.00 H new ATOM 0 HD22 ASN A 113 3.352 8.182 8.725 1.00 0.00 H new ATOM 1702 N ARG A 114 6.272 7.588 6.935 1.00 0.00 N ATOM 1703 CA ARG A 114 7.017 6.523 7.587 1.00 0.00 C ATOM 1704 C ARG A 114 8.136 5.999 6.695 1.00 0.00 C ATOM 1705 O ARG A 114 8.865 5.083 7.074 1.00 0.00 O ATOM 1706 CB ARG A 114 6.074 5.381 7.952 1.00 0.00 C ATOM 1707 CG ARG A 114 5.474 5.504 9.344 1.00 0.00 C ATOM 1708 CD ARG A 114 6.429 4.992 10.409 1.00 0.00 C ATOM 1709 NE ARG A 114 5.766 4.105 11.360 1.00 0.00 N ATOM 1710 CZ ARG A 114 6.195 3.899 12.601 1.00 0.00 C ATOM 1711 NH1 ARG A 114 7.284 4.515 13.041 1.00 0.00 N ATOM 1712 NH2 ARG A 114 5.534 3.076 13.405 1.00 0.00 N ATOM 0 H ARG A 114 5.599 7.266 6.239 1.00 0.00 H new ATOM 0 HA ARG A 114 7.468 6.933 8.491 1.00 0.00 H new ATOM 0 HB2 ARG A 114 5.267 5.340 7.221 1.00 0.00 H new ATOM 0 HB3 ARG A 114 6.616 4.438 7.882 1.00 0.00 H new ATOM 0 HG2 ARG A 114 5.229 6.547 9.545 1.00 0.00 H new ATOM 0 HG3 ARG A 114 4.541 4.942 9.390 1.00 0.00 H new ATOM 0 HD2 ARG A 114 7.253 4.461 9.932 1.00 0.00 H new ATOM 0 HD3 ARG A 114 6.862 5.837 10.944 1.00 0.00 H new ATOM 0 HE ARG A 114 4.925 3.615 11.055 1.00 0.00 H new ATOM 0 HH11 ARG A 114 7.795 5.149 12.426 1.00 0.00 H new ATOM 0 HH12 ARG A 114 7.611 4.355 13.994 1.00 0.00 H new ATOM 0 HH21 ARG A 114 4.696 2.601 13.071 1.00 0.00 H new ATOM 0 HH22 ARG A 114 5.864 2.919 14.357 1.00 0.00 H new ATOM 1726 N CYS A 115 8.259 6.572 5.504 1.00 0.00 N ATOM 1727 CA CYS A 115 9.284 6.139 4.562 1.00 0.00 C ATOM 1728 C CYS A 115 10.320 7.225 4.302 1.00 0.00 C ATOM 1729 O CYS A 115 11.522 6.960 4.327 1.00 0.00 O ATOM 1730 CB CYS A 115 8.644 5.720 3.244 1.00 0.00 C ATOM 1731 SG CYS A 115 9.757 4.772 2.165 1.00 0.00 S ATOM 0 H CYS A 115 7.667 7.332 5.169 1.00 0.00 H new ATOM 0 HA CYS A 115 9.796 5.289 5.012 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.758 5.121 3.454 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.308 6.611 2.713 1.00 0.00 H new ATOM 1736 N LYS A 116 9.856 8.442 4.040 1.00 0.00 N ATOM 1737 CA LYS A 116 10.754 9.557 3.760 1.00 0.00 C ATOM 1738 C LYS A 116 11.759 9.753 4.889 1.00 0.00 C ATOM 1739 O LYS A 116 11.471 10.425 5.880 1.00 0.00 O ATOM 1740 CB LYS A 116 9.952 10.842 3.547 1.00 0.00 C ATOM 1741 CG LYS A 116 10.692 11.894 2.738 1.00 0.00 C ATOM 1742 CD LYS A 116 9.942 13.215 2.723 1.00 0.00 C ATOM 1743 CE LYS A 116 10.787 14.330 2.128 1.00 0.00 C ATOM 1744 NZ LYS A 116 11.848 14.786 3.069 1.00 0.00 N ATOM 0 H LYS A 116 8.865 8.682 4.016 1.00 0.00 H new ATOM 0 HA LYS A 116 11.305 9.323 2.849 1.00 0.00 H new ATOM 0 HB2 LYS A 116 9.018 10.598 3.041 1.00 0.00 H new ATOM 0 HB3 LYS A 116 9.689 11.261 4.518 1.00 0.00 H new ATOM 0 HG2 LYS A 116 11.687 12.044 3.158 1.00 0.00 H new ATOM 0 HG3 LYS A 116 10.827 11.540 1.716 1.00 0.00 H new ATOM 0 HD2 LYS A 116 9.023 13.106 2.146 1.00 0.00 H new ATOM 0 HD3 LYS A 116 9.651 13.481 3.739 1.00 0.00 H new ATOM 0 HE2 LYS A 116 11.247 13.983 1.203 1.00 0.00 H new ATOM 0 HE3 LYS A 116 10.146 15.172 1.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 12.302 15.643 2.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 11.424 14.998 3.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 12.561 14.037 3.178 1.00 0.00 H new ATOM 1758 N GLY A 117 12.943 9.168 4.731 1.00 0.00 N ATOM 1759 CA GLY A 117 13.972 9.298 5.744 1.00 0.00 C ATOM 1760 C GLY A 117 14.556 7.964 6.171 1.00 0.00 C ATOM 1761 O GLY A 117 15.357 7.907 7.104 1.00 0.00 O ATOM 0 H GLY A 117 13.207 8.608 3.921 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.772 9.933 5.362 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.554 9.801 6.616 1.00 0.00 H new ATOM 1765 N THR A 118 14.162 6.888 5.493 1.00 0.00 N ATOM 1766 CA THR A 118 14.661 5.557 5.820 1.00 0.00 C ATOM 1767 C THR A 118 15.457 4.972 4.654 1.00 0.00 C ATOM 1768 O THR A 118 16.098 5.707 3.902 1.00 0.00 O ATOM 1769 CB THR A 118 13.508 4.602 6.182 1.00 0.00 C ATOM 1770 OG1 THR A 118 12.655 4.411 5.047 1.00 0.00 O ATOM 1771 CG2 THR A 118 12.696 5.150 7.346 1.00 0.00 C ATOM 0 H THR A 118 13.501 6.913 4.717 1.00 0.00 H new ATOM 0 HA THR A 118 15.316 5.661 6.685 1.00 0.00 H new ATOM 0 HB THR A 118 13.938 3.645 6.478 1.00 0.00 H new ATOM 0 HG1 THR A 118 12.246 5.266 4.798 1.00 0.00 H new ATOM 0 HG21 THR A 118 11.888 4.458 7.583 1.00 0.00 H new ATOM 0 HG22 THR A 118 13.341 5.267 8.217 1.00 0.00 H new ATOM 0 HG23 THR A 118 12.277 6.118 7.073 1.00 0.00 H new ATOM 1779 N ASP A 119 15.416 3.648 4.506 1.00 0.00 N ATOM 1780 CA ASP A 119 16.139 2.981 3.429 1.00 0.00 C ATOM 1781 C ASP A 119 15.283 1.925 2.741 1.00 0.00 C ATOM 1782 O ASP A 119 15.064 0.838 3.277 1.00 0.00 O ATOM 1783 CB ASP A 119 17.405 2.353 3.958 1.00 0.00 C ATOM 1784 CG ASP A 119 18.509 2.303 2.921 1.00 0.00 C ATOM 1785 OD1 ASP A 119 18.331 1.608 1.898 1.00 0.00 O ATOM 1786 OD2 ASP A 119 19.551 2.959 3.131 1.00 0.00 O ATOM 0 H ASP A 119 14.892 3.021 5.116 1.00 0.00 H new ATOM 0 HA ASP A 119 16.393 3.739 2.688 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.751 2.917 4.825 1.00 0.00 H new ATOM 0 HB3 ASP A 119 17.188 1.341 4.301 1.00 0.00 H new ATOM 1791 N VAL A 120 14.809 2.252 1.544 1.00 0.00 N ATOM 1792 CA VAL A 120 13.983 1.344 0.763 1.00 0.00 C ATOM 1793 C VAL A 120 14.839 0.258 0.128 1.00 0.00 C ATOM 1794 O VAL A 120 14.384 -0.869 -0.068 1.00 0.00 O ATOM 1795 CB VAL A 120 13.212 2.092 -0.341 1.00 0.00 C ATOM 1796 CG1 VAL A 120 12.250 3.100 0.269 1.00 0.00 C ATOM 1797 CG2 VAL A 120 14.176 2.780 -1.297 1.00 0.00 C ATOM 0 H VAL A 120 14.986 3.149 1.091 1.00 0.00 H new ATOM 0 HA VAL A 120 13.263 0.892 1.445 1.00 0.00 H new ATOM 0 HB VAL A 120 12.632 1.364 -0.908 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.714 3.619 -0.526 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.536 2.581 0.909 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.809 3.824 0.862 1.00 0.00 H new ATOM 0 HG21 VAL A 120 13.612 3.303 -2.069 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.786 3.496 -0.746 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.822 2.035 -1.761 1.00 0.00 H new ATOM 1807 N GLN A 121 16.088 0.601 -0.178 1.00 0.00 N ATOM 1808 CA GLN A 121 17.012 -0.354 -0.769 1.00 0.00 C ATOM 1809 C GLN A 121 17.181 -1.540 0.167 1.00 0.00 C ATOM 1810 O GLN A 121 17.519 -2.646 -0.257 1.00 0.00 O ATOM 1811 CB GLN A 121 18.366 0.305 -1.038 1.00 0.00 C ATOM 1812 CG GLN A 121 18.727 0.374 -2.513 1.00 0.00 C ATOM 1813 CD GLN A 121 20.175 0.765 -2.742 1.00 0.00 C ATOM 1814 OE1 GLN A 121 21.070 -0.078 -2.708 1.00 0.00 O ATOM 1815 NE2 GLN A 121 20.410 2.051 -2.974 1.00 0.00 N ATOM 0 H GLN A 121 16.479 1.531 -0.026 1.00 0.00 H new ATOM 0 HA GLN A 121 16.606 -0.699 -1.720 1.00 0.00 H new ATOM 0 HB2 GLN A 121 18.357 1.315 -0.627 1.00 0.00 H new ATOM 0 HB3 GLN A 121 19.142 -0.248 -0.508 1.00 0.00 H new ATOM 0 HG2 GLN A 121 18.539 -0.595 -2.975 1.00 0.00 H new ATOM 0 HG3 GLN A 121 18.077 1.095 -3.009 1.00 0.00 H new ATOM 0 HE21 GLN A 121 19.636 2.715 -2.993 1.00 0.00 H new ATOM 0 HE22 GLN A 121 21.364 2.374 -3.133 1.00 0.00 H new ATOM 1824 N ALA A 122 16.923 -1.294 1.448 1.00 0.00 N ATOM 1825 CA ALA A 122 17.022 -2.326 2.466 1.00 0.00 C ATOM 1826 C ALA A 122 15.685 -3.038 2.628 1.00 0.00 C ATOM 1827 O ALA A 122 15.628 -4.164 3.122 1.00 0.00 O ATOM 1828 CB ALA A 122 17.470 -1.725 3.789 1.00 0.00 C ATOM 0 H ALA A 122 16.642 -0.380 1.804 1.00 0.00 H new ATOM 0 HA ALA A 122 17.767 -3.056 2.150 1.00 0.00 H new ATOM 0 HB1 ALA A 122 17.539 -2.511 4.541 1.00 0.00 H new ATOM 0 HB2 ALA A 122 18.446 -1.256 3.664 1.00 0.00 H new ATOM 0 HB3 ALA A 122 16.747 -0.977 4.112 1.00 0.00 H new ATOM 1834 N TRP A 123 14.609 -2.376 2.200 1.00 0.00 N ATOM 1835 CA TRP A 123 13.273 -2.961 2.293 1.00 0.00 C ATOM 1836 C TRP A 123 13.170 -4.218 1.435 1.00 0.00 C ATOM 1837 O TRP A 123 12.276 -5.043 1.628 1.00 0.00 O ATOM 1838 CB TRP A 123 12.208 -1.952 1.860 1.00 0.00 C ATOM 1839 CG TRP A 123 11.680 -1.113 2.986 1.00 0.00 C ATOM 1840 CD1 TRP A 123 11.451 0.230 2.964 1.00 0.00 C ATOM 1841 CD2 TRP A 123 11.308 -1.561 4.298 1.00 0.00 C ATOM 1842 NE1 TRP A 123 10.966 0.645 4.180 1.00 0.00 N ATOM 1843 CE2 TRP A 123 10.870 -0.440 5.012 1.00 0.00 C ATOM 1844 CE3 TRP A 123 11.301 -2.798 4.939 1.00 0.00 C ATOM 1845 CZ2 TRP A 123 10.436 -0.528 6.326 1.00 0.00 C ATOM 1846 CZ3 TRP A 123 10.869 -2.883 6.244 1.00 0.00 C ATOM 1847 CH2 TRP A 123 10.441 -1.751 6.927 1.00 0.00 C ATOM 0 H TRP A 123 14.636 -1.443 1.789 1.00 0.00 H new ATOM 0 HA TRP A 123 13.101 -3.231 3.335 1.00 0.00 H new ATOM 0 HB2 TRP A 123 12.629 -1.297 1.097 1.00 0.00 H new ATOM 0 HB3 TRP A 123 11.379 -2.488 1.398 1.00 0.00 H new ATOM 0 HD1 TRP A 123 11.625 0.874 2.115 1.00 0.00 H new ATOM 0 HE1 TRP A 123 10.718 1.604 4.424 1.00 0.00 H new ATOM 0 HE3 TRP A 123 11.632 -3.683 4.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 10.103 0.350 6.859 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 10.863 -3.841 6.743 1.00 0.00 H new ATOM 0 HH2 TRP A 123 10.107 -1.842 7.950 1.00 0.00 H new ATOM 1858 N ILE A 124 14.095 -4.361 0.492 1.00 0.00 N ATOM 1859 CA ILE A 124 14.115 -5.519 -0.394 1.00 0.00 C ATOM 1860 C ILE A 124 15.474 -6.210 -0.355 1.00 0.00 C ATOM 1861 O ILE A 124 15.767 -7.075 -1.180 1.00 0.00 O ATOM 1862 CB ILE A 124 13.792 -5.126 -1.848 1.00 0.00 C ATOM 1863 CG1 ILE A 124 14.639 -3.927 -2.277 1.00 0.00 C ATOM 1864 CG2 ILE A 124 12.309 -4.817 -1.996 1.00 0.00 C ATOM 1865 CD1 ILE A 124 15.119 -4.008 -3.711 1.00 0.00 C ATOM 0 H ILE A 124 14.842 -3.688 0.321 1.00 0.00 H new ATOM 0 HA ILE A 124 13.347 -6.205 -0.037 1.00 0.00 H new ATOM 0 HB ILE A 124 14.034 -5.967 -2.498 1.00 0.00 H new ATOM 0 HG12 ILE A 124 14.055 -3.015 -2.149 1.00 0.00 H new ATOM 0 HG13 ILE A 124 15.503 -3.848 -1.617 1.00 0.00 H new ATOM 0 HG21 ILE A 124 12.096 -4.541 -3.029 1.00 0.00 H new ATOM 0 HG22 ILE A 124 11.725 -5.698 -1.728 1.00 0.00 H new ATOM 0 HG23 ILE A 124 12.042 -3.991 -1.337 1.00 0.00 H new ATOM 0 HD11 ILE A 124 15.713 -3.125 -3.946 1.00 0.00 H new ATOM 0 HD12 ILE A 124 15.730 -4.901 -3.840 1.00 0.00 H new ATOM 0 HD13 ILE A 124 14.260 -4.056 -4.380 1.00 0.00 H new ATOM 1877 N ARG A 125 16.298 -5.818 0.611 1.00 0.00 N ATOM 1878 CA ARG A 125 17.629 -6.393 0.766 1.00 0.00 C ATOM 1879 C ARG A 125 17.544 -7.870 1.145 1.00 0.00 C ATOM 1880 O ARG A 125 17.447 -8.214 2.323 1.00 0.00 O ATOM 1881 CB ARG A 125 18.419 -5.627 1.829 1.00 0.00 C ATOM 1882 CG ARG A 125 19.716 -5.030 1.309 1.00 0.00 C ATOM 1883 CD ARG A 125 20.912 -5.508 2.117 1.00 0.00 C ATOM 1884 NE ARG A 125 21.766 -4.401 2.538 1.00 0.00 N ATOM 1885 CZ ARG A 125 22.788 -4.535 3.379 1.00 0.00 C ATOM 1886 NH1 ARG A 125 23.081 -5.724 3.887 1.00 0.00 N ATOM 1887 NH2 ARG A 125 23.517 -3.479 3.712 1.00 0.00 N ATOM 0 H ARG A 125 16.066 -5.102 1.300 1.00 0.00 H new ATOM 0 HA ARG A 125 18.146 -6.311 -0.190 1.00 0.00 H new ATOM 0 HB2 ARG A 125 17.795 -4.827 2.228 1.00 0.00 H new ATOM 0 HB3 ARG A 125 18.644 -6.299 2.657 1.00 0.00 H new ATOM 0 HG2 ARG A 125 19.850 -5.303 0.262 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.659 -3.942 1.350 1.00 0.00 H new ATOM 0 HD2 ARG A 125 20.562 -6.050 2.995 1.00 0.00 H new ATOM 0 HD3 ARG A 125 21.495 -6.209 1.521 1.00 0.00 H new ATOM 0 HE ARG A 125 21.568 -3.472 2.166 1.00 0.00 H new ATOM 0 HH11 ARG A 125 22.522 -6.539 3.633 1.00 0.00 H new ATOM 0 HH12 ARG A 125 23.865 -5.824 4.532 1.00 0.00 H new ATOM 0 HH21 ARG A 125 23.294 -2.563 3.323 1.00 0.00 H new ATOM 0 HH22 ARG A 125 24.300 -3.583 4.357 1.00 0.00 H new ATOM 1901 N GLY A 126 17.580 -8.737 0.137 1.00 0.00 N ATOM 1902 CA GLY A 126 17.506 -10.166 0.385 1.00 0.00 C ATOM 1903 C GLY A 126 16.288 -10.805 -0.253 1.00 0.00 C ATOM 1904 O GLY A 126 16.112 -12.021 -0.189 1.00 0.00 O ATOM 0 H GLY A 126 17.659 -8.476 -0.846 1.00 0.00 H new ATOM 0 HA2 GLY A 126 18.407 -10.645 0.001 1.00 0.00 H new ATOM 0 HA3 GLY A 126 17.484 -10.344 1.460 1.00 0.00 H new ATOM 1908 N CYS A 127 15.445 -9.982 -0.869 1.00 0.00 N ATOM 1909 CA CYS A 127 14.236 -10.466 -1.521 1.00 0.00 C ATOM 1910 C CYS A 127 14.560 -11.476 -2.617 1.00 0.00 C ATOM 1911 O CYS A 127 15.314 -11.181 -3.544 1.00 0.00 O ATOM 1912 CB CYS A 127 13.453 -9.303 -2.096 1.00 0.00 C ATOM 1913 SG CYS A 127 12.221 -8.598 -0.955 1.00 0.00 S ATOM 0 H CYS A 127 15.579 -8.973 -0.930 1.00 0.00 H new ATOM 0 HA CYS A 127 13.629 -10.971 -0.770 1.00 0.00 H new ATOM 0 HB2 CYS A 127 14.151 -8.519 -2.389 1.00 0.00 H new ATOM 0 HB3 CYS A 127 12.946 -9.633 -3.002 1.00 0.00 H new ATOM 1918 N ARG A 128 13.984 -12.668 -2.502 1.00 0.00 N ATOM 1919 CA ARG A 128 14.210 -13.725 -3.482 1.00 0.00 C ATOM 1920 C ARG A 128 13.277 -13.566 -4.678 1.00 0.00 C ATOM 1921 O ARG A 128 12.137 -14.029 -4.654 1.00 0.00 O ATOM 1922 CB ARG A 128 14.005 -15.097 -2.838 1.00 0.00 C ATOM 1923 CG ARG A 128 15.103 -16.095 -3.170 1.00 0.00 C ATOM 1924 CD ARG A 128 16.015 -16.337 -1.980 1.00 0.00 C ATOM 1925 NE ARG A 128 15.278 -16.811 -0.812 1.00 0.00 N ATOM 1926 CZ ARG A 128 15.273 -16.186 0.361 1.00 0.00 C ATOM 1927 NH1 ARG A 128 15.963 -15.066 0.523 1.00 0.00 N ATOM 1928 NH2 ARG A 128 14.576 -16.683 1.376 1.00 0.00 N ATOM 0 H ARG A 128 13.357 -12.927 -1.740 1.00 0.00 H new ATOM 0 HA ARG A 128 15.239 -13.647 -3.834 1.00 0.00 H new ATOM 0 HB2 ARG A 128 13.950 -14.977 -1.756 1.00 0.00 H new ATOM 0 HB3 ARG A 128 13.047 -15.502 -3.163 1.00 0.00 H new ATOM 0 HG2 ARG A 128 14.656 -17.038 -3.484 1.00 0.00 H new ATOM 0 HG3 ARG A 128 15.690 -15.725 -4.010 1.00 0.00 H new ATOM 0 HD2 ARG A 128 16.776 -17.069 -2.250 1.00 0.00 H new ATOM 0 HD3 ARG A 128 16.536 -15.413 -1.729 1.00 0.00 H new ATOM 0 HE ARG A 128 14.736 -17.671 -0.901 1.00 0.00 H new ATOM 0 HH11 ARG A 128 16.500 -14.681 -0.254 1.00 0.00 H new ATOM 0 HH12 ARG A 128 15.957 -14.589 1.425 1.00 0.00 H new ATOM 0 HH21 ARG A 128 14.044 -17.545 1.256 1.00 0.00 H new ATOM 0 HH22 ARG A 128 14.573 -16.203 2.276 1.00 0.00 H new ATOM 1942 N LEU A 129 13.770 -12.910 -5.723 1.00 0.00 N ATOM 1943 CA LEU A 129 12.983 -12.690 -6.930 1.00 0.00 C ATOM 1944 C LEU A 129 13.886 -12.391 -8.123 1.00 0.00 C ATOM 1945 O LEU A 129 15.007 -11.888 -7.903 1.00 0.00 O ATOM 1946 CB LEU A 129 11.995 -11.540 -6.719 1.00 0.00 C ATOM 1947 CG LEU A 129 12.634 -10.162 -6.529 1.00 0.00 C ATOM 1948 CD1 LEU A 129 12.487 -9.327 -7.792 1.00 0.00 C ATOM 1949 CD2 LEU A 129 12.011 -9.447 -5.340 1.00 0.00 C ATOM 1950 OXT LEU A 129 13.463 -12.663 -9.267 1.00 0.00 O ATOM 0 H LEU A 129 14.712 -12.521 -5.758 1.00 0.00 H new ATOM 0 HA LEU A 129 12.426 -13.603 -7.141 1.00 0.00 H new ATOM 0 HB2 LEU A 129 11.323 -11.497 -7.576 1.00 0.00 H new ATOM 0 HB3 LEU A 129 11.383 -11.763 -5.845 1.00 0.00 H new ATOM 0 HG LEU A 129 13.697 -10.299 -6.330 1.00 0.00 H new ATOM 0 HD11 LEU A 129 12.947 -8.351 -7.638 1.00 0.00 H new ATOM 0 HD12 LEU A 129 12.979 -9.833 -8.622 1.00 0.00 H new ATOM 0 HD13 LEU A 129 11.429 -9.198 -8.022 1.00 0.00 H new ATOM 0 HD21 LEU A 129 12.477 -8.469 -5.219 1.00 0.00 H new ATOM 0 HD22 LEU A 129 10.942 -9.321 -5.510 1.00 0.00 H new ATOM 0 HD23 LEU A 129 12.168 -10.038 -4.437 1.00 0.00 H new