USER MOD reduce.3.24.130724 H: found=0, std=0, add=867, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 864 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 30 ASN : amide:sc= -0.356 K(o=0.52,f=-7.3!) USER MOD Set 1.2: A 32 SER OG : rot 13:sc= 0.873 USER MOD Single : A 7 SER OG : rot 180:sc= -0.0694 USER MOD Single : A 8 THR OG1 : rot -160:sc= -0.483 USER MOD Single : A 19 ASN : amide:sc= -0.146 X(o=-0.15,f=0) USER MOD Single : A 21 THR OG1 : rot -84:sc= 0.77 USER MOD Single : A 22 GLN : amide:sc= -2.02 K(o=-2,f=-3.3) USER MOD Single : A 23 ASN : amide:sc= -0.0465 K(o=-0.047,f=-2!) USER MOD Single : A 24 GLN : amide:sc= -7.89! C(o=-7.9!,f=-12!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl -112:sc= -0.634 (180deg=-1.83) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc=-0.000733 X(o=-0.00073,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : A 43 MET CE :methyl -148:sc= -0.273 (180deg=-1.84) USER MOD Single : A 44 TYR OH : rot 180:sc= -0.832 USER MOD Single : A 50 SER OG : rot 81:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.225 K(o=-0.23,f=-0.97!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= -0.809 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -7.96! K(o=-8!,f=-2.6) USER MOD Single : A 66 MET CE :methyl -175:sc= -1.03 (180deg=-1.16) USER MOD Single : A 68 SER OG : rot 72:sc= 0.607 USER MOD Single : A 73 HIS : no HD1:sc= -0.041 K(o=-0.041,f=-3.7!) USER MOD Single : A 74 LYS NZ :NH3+ -128:sc= -0.166 (180deg=-0.987) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.0156 K(o=-0.016,f=-1.7!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -32:sc= 0.747 USER MOD Single : A 84 HIS : no HD1:sc= -6.14! C(o=-6.1!,f=-8.3!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 HIS : no HD1:sc= -1.1 X(o=-1.1,f=-0.85) USER MOD Single : A 104 LYS NZ :NH3+ -129:sc= -0.0374 (180deg=-0.735) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= -0.0857 K(o=-0.086,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 57 N PRO A 5 17.387 5.659 4.401 1.00 0.00 N ATOM 58 CA PRO A 5 17.232 6.404 3.117 1.00 0.00 C ATOM 59 C PRO A 5 16.016 5.915 2.300 1.00 0.00 C ATOM 60 O PRO A 5 15.449 4.879 2.587 1.00 0.00 O ATOM 61 CB PRO A 5 18.561 6.109 2.388 1.00 0.00 C ATOM 62 CG PRO A 5 19.359 5.085 3.220 1.00 0.00 C ATOM 63 CD PRO A 5 18.676 4.929 4.589 1.00 0.00 C ATOM 0 HA PRO A 5 17.045 7.467 3.266 1.00 0.00 H new ATOM 0 HB2 PRO A 5 18.366 5.717 1.390 1.00 0.00 H new ATOM 0 HB3 PRO A 5 19.136 7.026 2.263 1.00 0.00 H new ATOM 0 HG2 PRO A 5 19.397 4.125 2.704 1.00 0.00 H new ATOM 0 HG3 PRO A 5 20.389 5.420 3.346 1.00 0.00 H new ATOM 0 HD2 PRO A 5 18.514 3.881 4.843 1.00 0.00 H new ATOM 0 HD3 PRO A 5 19.273 5.363 5.391 1.00 0.00 H new ATOM 71 N PRO A 6 15.617 6.658 1.288 1.00 0.00 N ATOM 72 CA PRO A 6 14.448 6.264 0.444 1.00 0.00 C ATOM 73 C PRO A 6 14.667 4.938 -0.303 1.00 0.00 C ATOM 74 O PRO A 6 13.846 4.045 -0.260 1.00 0.00 O ATOM 75 CB PRO A 6 14.340 7.443 -0.547 1.00 0.00 C ATOM 76 CG PRO A 6 15.598 8.319 -0.397 1.00 0.00 C ATOM 77 CD PRO A 6 16.295 7.936 0.918 1.00 0.00 C ATOM 0 HA PRO A 6 13.549 6.091 1.036 1.00 0.00 H new ATOM 0 HB2 PRO A 6 14.255 7.073 -1.569 1.00 0.00 H new ATOM 0 HB3 PRO A 6 13.443 8.029 -0.344 1.00 0.00 H new ATOM 0 HG2 PRO A 6 16.270 8.167 -1.242 1.00 0.00 H new ATOM 0 HG3 PRO A 6 15.328 9.375 -0.391 1.00 0.00 H new ATOM 0 HD2 PRO A 6 17.368 7.801 0.783 1.00 0.00 H new ATOM 0 HD3 PRO A 6 16.164 8.701 1.684 1.00 0.00 H new ATOM 85 N SER A 7 15.757 4.822 -1.006 1.00 0.00 N ATOM 86 CA SER A 7 16.020 3.575 -1.781 1.00 0.00 C ATOM 87 C SER A 7 16.081 2.367 -0.845 1.00 0.00 C ATOM 88 O SER A 7 15.589 1.303 -1.164 1.00 0.00 O ATOM 89 CB SER A 7 17.350 3.710 -2.524 1.00 0.00 C ATOM 90 OG SER A 7 18.415 3.721 -1.583 1.00 0.00 O ATOM 0 H SER A 7 16.480 5.538 -1.079 1.00 0.00 H new ATOM 0 HA SER A 7 15.210 3.426 -2.495 1.00 0.00 H new ATOM 0 HB2 SER A 7 17.475 2.883 -3.222 1.00 0.00 H new ATOM 0 HB3 SER A 7 17.360 4.628 -3.112 1.00 0.00 H new ATOM 0 HG SER A 7 19.269 3.806 -2.056 1.00 0.00 H new ATOM 96 N THR A 8 16.680 2.514 0.302 1.00 0.00 N ATOM 97 CA THR A 8 16.764 1.358 1.242 1.00 0.00 C ATOM 98 C THR A 8 15.377 1.043 1.805 1.00 0.00 C ATOM 99 O THR A 8 15.006 -0.103 1.959 1.00 0.00 O ATOM 100 CB THR A 8 17.713 1.703 2.392 1.00 0.00 C ATOM 101 OG1 THR A 8 19.007 1.976 1.872 1.00 0.00 O ATOM 102 CG2 THR A 8 17.785 0.528 3.370 1.00 0.00 C ATOM 0 H THR A 8 17.113 3.377 0.630 1.00 0.00 H new ATOM 0 HA THR A 8 17.140 0.487 0.705 1.00 0.00 H new ATOM 0 HB THR A 8 17.342 2.583 2.917 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.672 1.884 2.586 1.00 0.00 H new ATOM 0 HG21 THR A 8 18.461 0.776 4.188 1.00 0.00 H new ATOM 0 HG22 THR A 8 16.791 0.326 3.770 1.00 0.00 H new ATOM 0 HG23 THR A 8 18.154 -0.356 2.850 1.00 0.00 H new ATOM 110 N ALA A 9 14.610 2.049 2.118 1.00 0.00 N ATOM 111 CA ALA A 9 13.251 1.805 2.676 1.00 0.00 C ATOM 112 C ALA A 9 12.397 1.050 1.654 1.00 0.00 C ATOM 113 O ALA A 9 11.712 0.104 1.986 1.00 0.00 O ATOM 114 CB ALA A 9 12.587 3.145 3.005 1.00 0.00 C ATOM 0 H ALA A 9 14.866 3.031 2.011 1.00 0.00 H new ATOM 0 HA ALA A 9 13.337 1.207 3.583 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.592 2.968 3.413 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.190 3.680 3.739 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.505 3.743 2.097 1.00 0.00 H new ATOM 120 N LEU A 10 12.423 1.465 0.416 1.00 0.00 N ATOM 121 CA LEU A 10 11.599 0.770 -0.613 1.00 0.00 C ATOM 122 C LEU A 10 12.037 -0.694 -0.712 1.00 0.00 C ATOM 123 O LEU A 10 11.219 -1.591 -0.745 1.00 0.00 O ATOM 124 CB LEU A 10 11.777 1.462 -1.970 1.00 0.00 C ATOM 125 CG LEU A 10 10.932 0.755 -3.046 1.00 0.00 C ATOM 126 CD1 LEU A 10 9.441 0.812 -2.671 1.00 0.00 C ATOM 127 CD2 LEU A 10 11.148 1.452 -4.396 1.00 0.00 C ATOM 0 H LEU A 10 12.976 2.251 0.075 1.00 0.00 H new ATOM 0 HA LEU A 10 10.548 0.812 -0.328 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.480 2.508 -1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 10 12.828 1.449 -2.257 1.00 0.00 H new ATOM 0 HG LEU A 10 11.239 -0.289 -3.115 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.853 0.309 -3.439 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.288 0.315 -1.713 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.124 1.852 -2.595 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.552 0.955 -5.161 1.00 0.00 H new ATOM 0 HD22 LEU A 10 10.843 2.496 -4.319 1.00 0.00 H new ATOM 0 HD23 LEU A 10 12.202 1.401 -4.667 1.00 0.00 H new ATOM 139 N ARG A 11 13.318 -0.949 -0.760 1.00 0.00 N ATOM 140 CA ARG A 11 13.783 -2.362 -0.856 1.00 0.00 C ATOM 141 C ARG A 11 13.284 -3.131 0.365 1.00 0.00 C ATOM 142 O ARG A 11 12.794 -4.238 0.259 1.00 0.00 O ATOM 143 CB ARG A 11 15.313 -2.401 -0.894 1.00 0.00 C ATOM 144 CG ARG A 11 15.806 -1.841 -2.228 1.00 0.00 C ATOM 145 CD ARG A 11 17.333 -1.900 -2.277 1.00 0.00 C ATOM 146 NE ARG A 11 17.770 -3.322 -2.358 1.00 0.00 N ATOM 147 CZ ARG A 11 18.986 -3.614 -2.728 1.00 0.00 C ATOM 148 NH1 ARG A 11 19.820 -2.661 -3.044 1.00 0.00 N ATOM 149 NH2 ARG A 11 19.368 -4.860 -2.788 1.00 0.00 N ATOM 0 H ARG A 11 14.056 -0.246 -0.737 1.00 0.00 H new ATOM 0 HA ARG A 11 13.392 -2.816 -1.766 1.00 0.00 H new ATOM 0 HB2 ARG A 11 15.723 -1.818 -0.069 1.00 0.00 H new ATOM 0 HB3 ARG A 11 15.664 -3.425 -0.766 1.00 0.00 H new ATOM 0 HG2 ARG A 11 15.383 -2.415 -3.053 1.00 0.00 H new ATOM 0 HG3 ARG A 11 15.468 -0.812 -2.349 1.00 0.00 H new ATOM 0 HD2 ARG A 11 17.702 -1.345 -3.139 1.00 0.00 H new ATOM 0 HD3 ARG A 11 17.755 -1.428 -1.390 1.00 0.00 H new ATOM 0 HE ARG A 11 17.116 -4.069 -2.123 1.00 0.00 H new ATOM 0 HH11 ARG A 11 19.521 -1.687 -3.002 1.00 0.00 H new ATOM 0 HH12 ARG A 11 20.771 -2.891 -3.333 1.00 0.00 H new ATOM 0 HH21 ARG A 11 18.716 -5.606 -2.546 1.00 0.00 H new ATOM 0 HH22 ARG A 11 20.319 -5.088 -3.077 1.00 0.00 H new ATOM 163 N GLU A 12 13.391 -2.542 1.523 1.00 0.00 N ATOM 164 CA GLU A 12 12.909 -3.220 2.757 1.00 0.00 C ATOM 165 C GLU A 12 11.399 -3.433 2.663 1.00 0.00 C ATOM 166 O GLU A 12 10.875 -4.452 3.070 1.00 0.00 O ATOM 167 CB GLU A 12 13.222 -2.347 3.975 1.00 0.00 C ATOM 168 CG GLU A 12 14.726 -2.354 4.243 1.00 0.00 C ATOM 169 CD GLU A 12 15.027 -1.479 5.461 1.00 0.00 C ATOM 170 OE1 GLU A 12 15.009 -0.269 5.316 1.00 0.00 O ATOM 171 OE2 GLU A 12 15.270 -2.036 6.520 1.00 0.00 O ATOM 0 H GLU A 12 13.793 -1.616 1.668 1.00 0.00 H new ATOM 0 HA GLU A 12 13.409 -4.183 2.860 1.00 0.00 H new ATOM 0 HB2 GLU A 12 12.879 -1.327 3.801 1.00 0.00 H new ATOM 0 HB3 GLU A 12 12.686 -2.719 4.848 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.071 -3.373 4.419 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.264 -1.981 3.371 1.00 0.00 H new ATOM 178 N LEU A 13 10.694 -2.468 2.144 1.00 0.00 N ATOM 179 CA LEU A 13 9.215 -2.594 2.038 1.00 0.00 C ATOM 180 C LEU A 13 8.855 -3.669 1.006 1.00 0.00 C ATOM 181 O LEU A 13 8.000 -4.499 1.239 1.00 0.00 O ATOM 182 CB LEU A 13 8.647 -1.239 1.600 1.00 0.00 C ATOM 183 CG LEU A 13 7.120 -1.302 1.472 1.00 0.00 C ATOM 184 CD1 LEU A 13 6.486 -1.660 2.824 1.00 0.00 C ATOM 185 CD2 LEU A 13 6.611 0.069 1.015 1.00 0.00 C ATOM 0 H LEU A 13 11.080 -1.594 1.787 1.00 0.00 H new ATOM 0 HA LEU A 13 8.794 -2.884 3.001 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.924 -0.473 2.324 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.084 -0.948 0.645 1.00 0.00 H new ATOM 0 HG LEU A 13 6.847 -2.068 0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.402 -1.701 2.718 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.856 -2.631 3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.750 -0.902 3.562 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.526 0.041 0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.891 0.824 1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.054 0.319 0.051 1.00 0.00 H new ATOM 197 N ILE A 14 9.499 -3.665 -0.129 1.00 0.00 N ATOM 198 CA ILE A 14 9.186 -4.693 -1.163 1.00 0.00 C ATOM 199 C ILE A 14 9.452 -6.093 -0.597 1.00 0.00 C ATOM 200 O ILE A 14 8.628 -6.981 -0.690 1.00 0.00 O ATOM 201 CB ILE A 14 10.071 -4.461 -2.392 1.00 0.00 C ATOM 202 CG1 ILE A 14 9.671 -3.144 -3.062 1.00 0.00 C ATOM 203 CG2 ILE A 14 9.888 -5.613 -3.383 1.00 0.00 C ATOM 204 CD1 ILE A 14 10.702 -2.778 -4.133 1.00 0.00 C ATOM 0 H ILE A 14 10.226 -2.997 -0.385 1.00 0.00 H new ATOM 0 HA ILE A 14 8.137 -4.614 -1.447 1.00 0.00 H new ATOM 0 HB ILE A 14 11.115 -4.413 -2.084 1.00 0.00 H new ATOM 0 HG12 ILE A 14 8.683 -3.239 -3.512 1.00 0.00 H new ATOM 0 HG13 ILE A 14 9.608 -2.350 -2.318 1.00 0.00 H new ATOM 0 HG21 ILE A 14 10.519 -5.445 -4.256 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.171 -6.552 -2.906 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.844 -5.664 -3.693 1.00 0.00 H new ATOM 0 HD11 ILE A 14 10.415 -1.840 -4.609 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.683 -2.665 -3.671 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.743 -3.568 -4.883 1.00 0.00 H new ATOM 216 N GLU A 15 10.606 -6.294 -0.023 1.00 0.00 N ATOM 217 CA GLU A 15 10.952 -7.633 0.540 1.00 0.00 C ATOM 218 C GLU A 15 9.965 -8.040 1.638 1.00 0.00 C ATOM 219 O GLU A 15 9.572 -9.186 1.733 1.00 0.00 O ATOM 220 CB GLU A 15 12.362 -7.575 1.133 1.00 0.00 C ATOM 221 CG GLU A 15 13.392 -7.452 0.008 1.00 0.00 C ATOM 222 CD GLU A 15 13.468 -8.774 -0.757 1.00 0.00 C ATOM 223 OE1 GLU A 15 13.071 -9.782 -0.197 1.00 0.00 O ATOM 224 OE2 GLU A 15 13.922 -8.757 -1.889 1.00 0.00 O ATOM 0 H GLU A 15 11.331 -5.584 0.082 1.00 0.00 H new ATOM 0 HA GLU A 15 10.902 -8.370 -0.261 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.447 -6.726 1.811 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.557 -8.472 1.720 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.114 -6.643 -0.668 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.369 -7.201 0.420 1.00 0.00 H new ATOM 231 N GLU A 16 9.581 -7.126 2.486 1.00 0.00 N ATOM 232 CA GLU A 16 8.645 -7.487 3.591 1.00 0.00 C ATOM 233 C GLU A 16 7.247 -7.788 3.040 1.00 0.00 C ATOM 234 O GLU A 16 6.599 -8.726 3.461 1.00 0.00 O ATOM 235 CB GLU A 16 8.567 -6.324 4.582 1.00 0.00 C ATOM 236 CG GLU A 16 7.669 -6.710 5.759 1.00 0.00 C ATOM 237 CD GLU A 16 7.693 -5.593 6.805 1.00 0.00 C ATOM 238 OE1 GLU A 16 8.485 -4.679 6.647 1.00 0.00 O ATOM 239 OE2 GLU A 16 6.919 -5.671 7.744 1.00 0.00 O ATOM 0 H GLU A 16 9.873 -6.149 2.463 1.00 0.00 H new ATOM 0 HA GLU A 16 9.018 -8.380 4.092 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.565 -6.071 4.941 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.172 -5.437 4.086 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.649 -6.877 5.413 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.013 -7.645 6.201 1.00 0.00 H new ATOM 246 N LEU A 17 6.770 -7.005 2.111 1.00 0.00 N ATOM 247 CA LEU A 17 5.408 -7.261 1.557 1.00 0.00 C ATOM 248 C LEU A 17 5.369 -8.636 0.882 1.00 0.00 C ATOM 249 O LEU A 17 4.421 -9.380 1.019 1.00 0.00 O ATOM 250 CB LEU A 17 5.061 -6.183 0.524 1.00 0.00 C ATOM 251 CG LEU A 17 4.865 -4.826 1.219 1.00 0.00 C ATOM 252 CD1 LEU A 17 4.769 -3.729 0.154 1.00 0.00 C ATOM 253 CD2 LEU A 17 3.580 -4.834 2.075 1.00 0.00 C ATOM 0 H LEU A 17 7.260 -6.204 1.713 1.00 0.00 H new ATOM 0 HA LEU A 17 4.684 -7.236 2.371 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.857 -6.109 -0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.153 -6.460 -0.011 1.00 0.00 H new ATOM 0 HG LEU A 17 5.714 -4.636 1.875 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.630 -2.763 0.639 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.687 -3.711 -0.434 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.922 -3.931 -0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.459 -3.865 2.559 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.719 -5.031 1.437 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.654 -5.612 2.835 1.00 0.00 H new ATOM 265 N VAL A 18 6.391 -8.972 0.147 1.00 0.00 N ATOM 266 CA VAL A 18 6.418 -10.290 -0.552 1.00 0.00 C ATOM 267 C VAL A 18 6.440 -11.430 0.472 1.00 0.00 C ATOM 268 O VAL A 18 5.808 -12.452 0.296 1.00 0.00 O ATOM 269 CB VAL A 18 7.675 -10.355 -1.424 1.00 0.00 C ATOM 270 CG1 VAL A 18 7.853 -11.765 -1.989 1.00 0.00 C ATOM 271 CG2 VAL A 18 7.542 -9.357 -2.576 1.00 0.00 C ATOM 0 H VAL A 18 7.214 -8.388 -0.002 1.00 0.00 H new ATOM 0 HA VAL A 18 5.527 -10.396 -1.171 1.00 0.00 H new ATOM 0 HB VAL A 18 8.545 -10.105 -0.816 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.750 -11.799 -2.607 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.951 -12.476 -1.169 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.985 -12.027 -2.594 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.435 -9.400 -3.200 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.668 -9.609 -3.176 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.428 -8.350 -2.174 1.00 0.00 H new ATOM 281 N ASN A 19 7.178 -11.268 1.529 1.00 0.00 N ATOM 282 CA ASN A 19 7.270 -12.341 2.561 1.00 0.00 C ATOM 283 C ASN A 19 5.894 -12.659 3.154 1.00 0.00 C ATOM 284 O ASN A 19 5.541 -13.806 3.343 1.00 0.00 O ATOM 285 CB ASN A 19 8.196 -11.859 3.679 1.00 0.00 C ATOM 286 CG ASN A 19 8.302 -12.931 4.763 1.00 0.00 C ATOM 287 OD1 ASN A 19 8.169 -12.638 5.935 1.00 0.00 O ATOM 288 ND2 ASN A 19 8.533 -14.167 4.422 1.00 0.00 N ATOM 0 H ASN A 19 7.728 -10.432 1.728 1.00 0.00 H new ATOM 0 HA ASN A 19 7.658 -13.246 2.094 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.184 -11.638 3.275 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.813 -10.933 4.107 1.00 0.00 H new ATOM 0 HD21 ASN A 19 8.602 -14.889 5.139 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.645 -14.412 3.438 1.00 0.00 H new ATOM 295 N ILE A 20 5.130 -11.659 3.479 1.00 0.00 N ATOM 296 CA ILE A 20 3.794 -11.903 4.096 1.00 0.00 C ATOM 297 C ILE A 20 2.741 -12.314 3.054 1.00 0.00 C ATOM 298 O ILE A 20 1.693 -12.817 3.409 1.00 0.00 O ATOM 299 CB ILE A 20 3.350 -10.630 4.822 1.00 0.00 C ATOM 300 CG1 ILE A 20 3.301 -9.460 3.833 1.00 0.00 C ATOM 301 CG2 ILE A 20 4.357 -10.314 5.930 1.00 0.00 C ATOM 302 CD1 ILE A 20 2.660 -8.236 4.498 1.00 0.00 C ATOM 0 H ILE A 20 5.371 -10.677 3.345 1.00 0.00 H new ATOM 0 HA ILE A 20 3.884 -12.731 4.799 1.00 0.00 H new ATOM 0 HB ILE A 20 2.359 -10.780 5.250 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.309 -9.215 3.497 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.730 -9.744 2.949 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.050 -9.409 6.453 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.396 -11.145 6.634 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.344 -10.163 5.493 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.630 -7.410 3.787 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.646 -8.482 4.812 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.248 -7.945 5.368 1.00 0.00 H new ATOM 314 N THR A 21 2.981 -12.092 1.780 1.00 0.00 N ATOM 315 CA THR A 21 1.946 -12.462 0.750 1.00 0.00 C ATOM 316 C THR A 21 2.273 -13.807 0.083 1.00 0.00 C ATOM 317 O THR A 21 1.404 -14.448 -0.474 1.00 0.00 O ATOM 318 CB THR A 21 1.877 -11.371 -0.329 1.00 0.00 C ATOM 319 OG1 THR A 21 3.180 -11.138 -0.848 1.00 0.00 O ATOM 320 CG2 THR A 21 1.319 -10.067 0.258 1.00 0.00 C ATOM 0 H THR A 21 3.836 -11.676 1.410 1.00 0.00 H new ATOM 0 HA THR A 21 0.986 -12.552 1.258 1.00 0.00 H new ATOM 0 HB THR A 21 1.214 -11.707 -1.127 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.656 -10.509 -0.267 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.278 -9.306 -0.521 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.316 -10.243 0.647 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.967 -9.725 1.065 1.00 0.00 H new ATOM 328 N GLN A 22 3.498 -14.252 0.126 1.00 0.00 N ATOM 329 CA GLN A 22 3.821 -15.565 -0.517 1.00 0.00 C ATOM 330 C GLN A 22 3.276 -16.721 0.325 1.00 0.00 C ATOM 331 O GLN A 22 2.817 -17.717 -0.199 1.00 0.00 O ATOM 332 CB GLN A 22 5.334 -15.726 -0.660 1.00 0.00 C ATOM 333 CG GLN A 22 5.850 -14.804 -1.762 1.00 0.00 C ATOM 334 CD GLN A 22 7.378 -14.832 -1.764 1.00 0.00 C ATOM 335 OE1 GLN A 22 7.996 -14.916 -0.721 1.00 0.00 O ATOM 336 NE2 GLN A 22 8.019 -14.771 -2.897 1.00 0.00 N ATOM 0 H GLN A 22 4.282 -13.775 0.571 1.00 0.00 H new ATOM 0 HA GLN A 22 3.356 -15.583 -1.503 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.825 -15.490 0.284 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.578 -16.762 -0.896 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.467 -15.125 -2.731 1.00 0.00 H new ATOM 0 HG3 GLN A 22 5.493 -13.787 -1.599 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.501 -14.701 -3.773 1.00 0.00 H new ATOM 0 HE22 GLN A 22 9.039 -14.794 -2.908 1.00 0.00 H new ATOM 345 N ASN A 23 3.350 -16.614 1.623 1.00 0.00 N ATOM 346 CA ASN A 23 2.867 -17.725 2.499 1.00 0.00 C ATOM 347 C ASN A 23 1.396 -17.530 2.880 1.00 0.00 C ATOM 348 O ASN A 23 0.831 -18.330 3.600 1.00 0.00 O ATOM 349 CB ASN A 23 3.720 -17.771 3.770 1.00 0.00 C ATOM 350 CG ASN A 23 5.127 -18.257 3.416 1.00 0.00 C ATOM 351 OD1 ASN A 23 5.331 -18.855 2.378 1.00 0.00 O ATOM 352 ND2 ASN A 23 6.110 -18.040 4.247 1.00 0.00 N ATOM 0 H ASN A 23 3.724 -15.805 2.118 1.00 0.00 H new ATOM 0 HA ASN A 23 2.956 -18.662 1.950 1.00 0.00 H new ATOM 0 HB2 ASN A 23 3.768 -16.782 4.226 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.266 -18.438 4.503 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.048 -18.372 4.025 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.940 -17.538 5.118 1.00 0.00 H new ATOM 359 N GLN A 24 0.762 -16.485 2.417 1.00 0.00 N ATOM 360 CA GLN A 24 -0.674 -16.279 2.782 1.00 0.00 C ATOM 361 C GLN A 24 -1.570 -17.114 1.861 1.00 0.00 C ATOM 362 O GLN A 24 -1.436 -17.086 0.655 1.00 0.00 O ATOM 363 CB GLN A 24 -1.039 -14.784 2.665 1.00 0.00 C ATOM 364 CG GLN A 24 -1.324 -14.390 1.202 1.00 0.00 C ATOM 365 CD GLN A 24 -2.767 -14.736 0.825 1.00 0.00 C ATOM 366 OE1 GLN A 24 -3.691 -14.300 1.474 1.00 0.00 O ATOM 367 NE2 GLN A 24 -3.000 -15.492 -0.214 1.00 0.00 N ATOM 0 H GLN A 24 1.168 -15.773 1.810 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.829 -16.599 3.812 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.915 -14.572 3.278 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.222 -14.176 3.055 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -1.153 -13.322 1.067 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.634 -14.910 0.538 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.222 -15.860 -0.762 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.960 -15.714 -0.478 1.00 0.00 H new ATOM 376 N LYS A 25 -2.496 -17.846 2.415 1.00 0.00 N ATOM 377 CA LYS A 25 -3.412 -18.649 1.558 1.00 0.00 C ATOM 378 C LYS A 25 -4.588 -17.756 1.165 1.00 0.00 C ATOM 379 O LYS A 25 -4.661 -17.244 0.066 1.00 0.00 O ATOM 380 CB LYS A 25 -3.928 -19.864 2.335 1.00 0.00 C ATOM 381 CG LYS A 25 -4.744 -20.754 1.394 1.00 0.00 C ATOM 382 CD LYS A 25 -5.265 -21.972 2.159 1.00 0.00 C ATOM 383 CE LYS A 25 -6.022 -22.889 1.197 1.00 0.00 C ATOM 384 NZ LYS A 25 -6.454 -24.120 1.918 1.00 0.00 N ATOM 0 H LYS A 25 -2.658 -17.923 3.419 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.885 -19.003 0.672 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.092 -20.426 2.752 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.544 -19.540 3.173 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.578 -20.190 0.977 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.126 -21.076 0.556 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.435 -22.511 2.616 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.922 -21.653 2.968 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.890 -22.370 0.790 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.385 -23.154 0.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.969 -24.743 1.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.618 -24.618 2.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.077 -23.859 2.709 1.00 0.00 H new ATOM 398 N ALA A 26 -5.495 -17.548 2.079 1.00 0.00 N ATOM 399 CA ALA A 26 -6.667 -16.667 1.807 1.00 0.00 C ATOM 400 C ALA A 26 -6.277 -15.231 2.192 1.00 0.00 C ATOM 401 O ALA A 26 -5.334 -15.028 2.933 1.00 0.00 O ATOM 402 CB ALA A 26 -7.873 -17.152 2.643 1.00 0.00 C ATOM 0 H ALA A 26 -5.474 -17.955 3.014 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.947 -16.699 0.754 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.733 -16.511 2.448 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.116 -18.179 2.369 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.622 -17.109 3.703 1.00 0.00 H new ATOM 408 N PRO A 27 -6.992 -14.243 1.716 1.00 0.00 N ATOM 409 CA PRO A 27 -6.664 -12.836 2.058 1.00 0.00 C ATOM 410 C PRO A 27 -6.327 -12.677 3.548 1.00 0.00 C ATOM 411 O PRO A 27 -6.864 -13.367 4.392 1.00 0.00 O ATOM 412 CB PRO A 27 -7.958 -12.098 1.671 1.00 0.00 C ATOM 413 CG PRO A 27 -8.817 -13.050 0.808 1.00 0.00 C ATOM 414 CD PRO A 27 -8.165 -14.447 0.826 1.00 0.00 C ATOM 0 HA PRO A 27 -5.781 -12.454 1.546 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.505 -11.797 2.564 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.726 -11.188 1.117 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -9.834 -13.101 1.198 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.886 -12.677 -0.214 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -8.843 -15.206 1.216 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.866 -14.768 -0.172 1.00 0.00 H new ATOM 422 N LEU A 28 -5.434 -11.784 3.873 1.00 0.00 N ATOM 423 CA LEU A 28 -5.059 -11.595 5.301 1.00 0.00 C ATOM 424 C LEU A 28 -6.281 -11.128 6.092 1.00 0.00 C ATOM 425 O LEU A 28 -6.511 -11.551 7.208 1.00 0.00 O ATOM 426 CB LEU A 28 -3.955 -10.537 5.395 1.00 0.00 C ATOM 427 CG LEU A 28 -2.719 -10.996 4.608 1.00 0.00 C ATOM 428 CD1 LEU A 28 -1.715 -9.841 4.529 1.00 0.00 C ATOM 429 CD2 LEU A 28 -2.060 -12.203 5.302 1.00 0.00 C ATOM 0 H LEU A 28 -4.948 -11.178 3.212 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.700 -12.538 5.714 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.316 -9.587 5.000 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.690 -10.368 6.439 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.025 -11.292 3.605 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.835 -10.161 3.971 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.176 -8.992 4.024 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.419 -9.547 5.536 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.185 -12.517 4.733 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.755 -11.921 6.310 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.773 -13.026 5.355 1.00 0.00 H new ATOM 441 N CYS A 29 -7.068 -10.261 5.520 1.00 0.00 N ATOM 442 CA CYS A 29 -8.281 -9.764 6.230 1.00 0.00 C ATOM 443 C CYS A 29 -9.434 -10.747 6.035 1.00 0.00 C ATOM 444 O CYS A 29 -9.342 -11.686 5.270 1.00 0.00 O ATOM 445 CB CYS A 29 -8.678 -8.403 5.662 1.00 0.00 C ATOM 446 SG CYS A 29 -7.437 -7.175 6.131 1.00 0.00 S ATOM 0 H CYS A 29 -6.924 -9.873 4.588 1.00 0.00 H new ATOM 0 HA CYS A 29 -8.062 -9.671 7.294 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -8.759 -8.459 4.576 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -9.657 -8.110 6.040 1.00 0.00 H new ATOM 451 N ASN A 30 -10.526 -10.530 6.715 1.00 0.00 N ATOM 452 CA ASN A 30 -11.694 -11.438 6.566 1.00 0.00 C ATOM 453 C ASN A 30 -12.278 -11.291 5.156 1.00 0.00 C ATOM 454 O ASN A 30 -13.479 -11.255 4.973 1.00 0.00 O ATOM 455 CB ASN A 30 -12.751 -11.069 7.609 1.00 0.00 C ATOM 456 CG ASN A 30 -13.308 -9.676 7.311 1.00 0.00 C ATOM 457 OD1 ASN A 30 -12.743 -8.936 6.530 1.00 0.00 O ATOM 458 ND2 ASN A 30 -14.401 -9.284 7.907 1.00 0.00 N ATOM 0 H ASN A 30 -10.658 -9.759 7.370 1.00 0.00 H new ATOM 0 HA ASN A 30 -11.382 -12.472 6.716 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.557 -11.803 7.599 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -12.313 -11.090 8.607 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -14.781 -8.357 7.717 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -14.875 -9.905 8.563 1.00 0.00 H new ATOM 465 N GLY A 31 -11.437 -11.207 4.158 1.00 0.00 N ATOM 466 CA GLY A 31 -11.944 -11.064 2.761 1.00 0.00 C ATOM 467 C GLY A 31 -12.405 -9.624 2.523 1.00 0.00 C ATOM 468 O GLY A 31 -13.246 -9.362 1.687 1.00 0.00 O ATOM 0 H GLY A 31 -10.421 -11.231 4.250 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.160 -11.327 2.051 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -12.771 -11.753 2.592 1.00 0.00 H new ATOM 472 N SER A 32 -11.868 -8.688 3.257 1.00 0.00 N ATOM 473 CA SER A 32 -12.283 -7.267 3.077 1.00 0.00 C ATOM 474 C SER A 32 -11.874 -6.774 1.682 1.00 0.00 C ATOM 475 O SER A 32 -10.866 -7.184 1.135 1.00 0.00 O ATOM 476 CB SER A 32 -11.604 -6.405 4.141 1.00 0.00 C ATOM 477 OG SER A 32 -11.967 -6.881 5.431 1.00 0.00 O ATOM 0 H SER A 32 -11.160 -8.846 3.974 1.00 0.00 H new ATOM 0 HA SER A 32 -13.366 -7.193 3.178 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.521 -6.441 4.019 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.903 -5.363 4.027 1.00 0.00 H new ATOM 0 HG SER A 32 -12.389 -7.762 5.348 1.00 0.00 H new ATOM 483 N MET A 33 -12.653 -5.888 1.108 1.00 0.00 N ATOM 484 CA MET A 33 -12.335 -5.341 -0.251 1.00 0.00 C ATOM 485 C MET A 33 -11.912 -3.872 -0.112 1.00 0.00 C ATOM 486 O MET A 33 -12.223 -3.224 0.868 1.00 0.00 O ATOM 487 CB MET A 33 -13.583 -5.429 -1.136 1.00 0.00 C ATOM 488 CG MET A 33 -14.019 -6.890 -1.268 1.00 0.00 C ATOM 489 SD MET A 33 -15.495 -6.991 -2.316 1.00 0.00 S ATOM 490 CE MET A 33 -14.712 -6.550 -3.889 1.00 0.00 C ATOM 0 H MET A 33 -13.505 -5.516 1.528 1.00 0.00 H new ATOM 0 HA MET A 33 -11.527 -5.916 -0.703 1.00 0.00 H new ATOM 0 HB2 MET A 33 -14.389 -4.836 -0.704 1.00 0.00 H new ATOM 0 HB3 MET A 33 -13.373 -5.012 -2.121 1.00 0.00 H new ATOM 0 HG2 MET A 33 -13.213 -7.483 -1.700 1.00 0.00 H new ATOM 0 HG3 MET A 33 -14.230 -7.308 -0.284 1.00 0.00 H new ATOM 0 HE1 MET A 33 -15.076 -5.576 -4.216 1.00 0.00 H new ATOM 0 HE2 MET A 33 -13.631 -6.508 -3.758 1.00 0.00 H new ATOM 0 HE3 MET A 33 -14.958 -7.300 -4.641 1.00 0.00 H new ATOM 500 N VAL A 34 -11.201 -3.342 -1.082 1.00 0.00 N ATOM 501 CA VAL A 34 -10.750 -1.911 -1.009 1.00 0.00 C ATOM 502 C VAL A 34 -11.055 -1.206 -2.333 1.00 0.00 C ATOM 503 O VAL A 34 -11.239 -1.834 -3.357 1.00 0.00 O ATOM 504 CB VAL A 34 -9.241 -1.860 -0.744 1.00 0.00 C ATOM 505 CG1 VAL A 34 -8.964 -2.165 0.730 1.00 0.00 C ATOM 506 CG2 VAL A 34 -8.536 -2.898 -1.620 1.00 0.00 C ATOM 0 H VAL A 34 -10.912 -3.840 -1.924 1.00 0.00 H new ATOM 0 HA VAL A 34 -11.280 -1.409 -0.199 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.866 -0.864 -0.982 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.890 -2.128 0.914 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.465 -1.426 1.355 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.339 -3.159 0.973 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.463 -2.863 -1.433 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.914 -3.892 -1.382 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.729 -2.679 -2.670 1.00 0.00 H new ATOM 516 N TRP A 35 -11.106 0.099 -2.318 1.00 0.00 N ATOM 517 CA TRP A 35 -11.395 0.852 -3.571 1.00 0.00 C ATOM 518 C TRP A 35 -10.151 0.877 -4.454 1.00 0.00 C ATOM 519 O TRP A 35 -9.068 1.206 -4.012 1.00 0.00 O ATOM 520 CB TRP A 35 -11.813 2.281 -3.222 1.00 0.00 C ATOM 521 CG TRP A 35 -13.113 2.253 -2.481 1.00 0.00 C ATOM 522 CD1 TRP A 35 -13.236 2.069 -1.147 1.00 0.00 C ATOM 523 CD2 TRP A 35 -14.470 2.409 -2.998 1.00 0.00 C ATOM 524 NE1 TRP A 35 -14.576 2.103 -0.810 1.00 0.00 N ATOM 525 CE2 TRP A 35 -15.376 2.311 -1.914 1.00 0.00 C ATOM 526 CE3 TRP A 35 -15.000 2.624 -4.285 1.00 0.00 C ATOM 527 CZ2 TRP A 35 -16.754 2.423 -2.098 1.00 0.00 C ATOM 528 CZ3 TRP A 35 -16.390 2.738 -4.470 1.00 0.00 C ATOM 529 CH2 TRP A 35 -17.262 2.638 -3.379 1.00 0.00 C ATOM 0 H TRP A 35 -10.960 0.676 -1.490 1.00 0.00 H new ATOM 0 HA TRP A 35 -12.205 0.362 -4.111 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -11.045 2.758 -2.613 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -11.913 2.874 -4.131 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -12.419 1.920 -0.456 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -14.930 1.988 0.140 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -14.337 2.702 -5.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -17.423 2.344 -1.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -16.787 2.904 -5.460 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -18.328 2.727 -3.529 1.00 0.00 H new ATOM 540 N SER A 36 -10.299 0.534 -5.704 1.00 0.00 N ATOM 541 CA SER A 36 -9.127 0.544 -6.619 1.00 0.00 C ATOM 542 C SER A 36 -8.708 1.992 -6.858 1.00 0.00 C ATOM 543 O SER A 36 -9.520 2.895 -6.811 1.00 0.00 O ATOM 544 CB SER A 36 -9.506 -0.113 -7.948 1.00 0.00 C ATOM 545 OG SER A 36 -10.430 0.719 -8.637 1.00 0.00 O ATOM 0 H SER A 36 -11.181 0.248 -6.129 1.00 0.00 H new ATOM 0 HA SER A 36 -8.301 -0.012 -6.175 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.615 -0.269 -8.557 1.00 0.00 H new ATOM 0 HB3 SER A 36 -9.946 -1.094 -7.769 1.00 0.00 H new ATOM 0 HG SER A 36 -10.673 0.302 -9.490 1.00 0.00 H new ATOM 551 N ILE A 37 -7.445 2.221 -7.100 1.00 0.00 N ATOM 552 CA ILE A 37 -6.951 3.618 -7.331 1.00 0.00 C ATOM 553 C ILE A 37 -6.065 3.660 -8.574 1.00 0.00 C ATOM 554 O ILE A 37 -5.656 2.641 -9.094 1.00 0.00 O ATOM 555 CB ILE A 37 -6.127 4.069 -6.119 1.00 0.00 C ATOM 556 CG1 ILE A 37 -5.042 3.025 -5.813 1.00 0.00 C ATOM 557 CG2 ILE A 37 -7.043 4.223 -4.903 1.00 0.00 C ATOM 558 CD1 ILE A 37 -3.988 3.633 -4.884 1.00 0.00 C ATOM 0 H ILE A 37 -6.727 1.498 -7.149 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.806 4.279 -7.472 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.656 5.026 -6.342 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.489 2.148 -5.346 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.575 2.690 -6.739 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.455 4.544 -4.043 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.809 4.968 -5.117 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.518 3.267 -4.682 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.220 2.890 -4.669 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.532 4.497 -5.367 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.461 3.946 -3.953 1.00 0.00 H new ATOM 570 N ASN A 38 -5.742 4.836 -9.038 1.00 0.00 N ATOM 571 CA ASN A 38 -4.854 4.953 -10.227 1.00 0.00 C ATOM 572 C ASN A 38 -3.412 4.988 -9.723 1.00 0.00 C ATOM 573 O ASN A 38 -3.046 5.831 -8.928 1.00 0.00 O ATOM 574 CB ASN A 38 -5.178 6.246 -10.978 1.00 0.00 C ATOM 575 CG ASN A 38 -6.628 6.201 -11.462 1.00 0.00 C ATOM 576 OD1 ASN A 38 -7.442 7.009 -11.058 1.00 0.00 O ATOM 577 ND2 ASN A 38 -6.989 5.283 -12.317 1.00 0.00 N ATOM 0 H ASN A 38 -6.056 5.723 -8.643 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.998 4.113 -10.906 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.027 7.106 -10.326 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.503 6.366 -11.826 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.954 5.244 -12.646 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.306 4.605 -12.656 1.00 0.00 H new ATOM 584 N LEU A 39 -2.594 4.065 -10.149 1.00 0.00 N ATOM 585 CA LEU A 39 -1.187 4.041 -9.657 1.00 0.00 C ATOM 586 C LEU A 39 -0.346 5.065 -10.429 1.00 0.00 C ATOM 587 O LEU A 39 -0.179 4.971 -11.629 1.00 0.00 O ATOM 588 CB LEU A 39 -0.596 2.636 -9.857 1.00 0.00 C ATOM 589 CG LEU A 39 -1.283 1.602 -8.937 1.00 0.00 C ATOM 590 CD1 LEU A 39 -1.103 1.983 -7.455 1.00 0.00 C ATOM 591 CD2 LEU A 39 -2.782 1.506 -9.271 1.00 0.00 C ATOM 0 H LEU A 39 -2.837 3.330 -10.813 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.175 4.294 -8.597 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.713 2.335 -10.898 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.474 2.656 -9.650 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.815 0.633 -9.107 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.595 1.241 -6.826 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.040 2.016 -7.214 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.546 2.962 -7.275 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.255 0.774 -8.616 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.250 2.479 -9.125 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.904 1.196 -10.309 1.00 0.00 H new ATOM 603 N THR A 40 0.189 6.045 -9.740 1.00 0.00 N ATOM 604 CA THR A 40 1.028 7.085 -10.411 1.00 0.00 C ATOM 605 C THR A 40 2.173 7.495 -9.477 1.00 0.00 C ATOM 606 O THR A 40 3.033 6.700 -9.153 1.00 0.00 O ATOM 607 CB THR A 40 0.169 8.310 -10.736 1.00 0.00 C ATOM 608 OG1 THR A 40 -0.537 8.717 -9.572 1.00 0.00 O ATOM 609 CG2 THR A 40 -0.825 7.954 -11.843 1.00 0.00 C ATOM 0 H THR A 40 0.079 6.168 -8.734 1.00 0.00 H new ATOM 0 HA THR A 40 1.438 6.678 -11.335 1.00 0.00 H new ATOM 0 HB THR A 40 0.809 9.126 -11.072 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.085 9.502 -9.780 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.438 8.825 -12.076 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.281 7.644 -12.735 1.00 0.00 H new ATOM 0 HG23 THR A 40 -1.466 7.139 -11.508 1.00 0.00 H new ATOM 617 N ALA A 41 2.200 8.734 -9.046 1.00 0.00 N ATOM 618 CA ALA A 41 3.298 9.201 -8.138 1.00 0.00 C ATOM 619 C ALA A 41 2.811 9.214 -6.684 1.00 0.00 C ATOM 620 O ALA A 41 3.534 8.855 -5.776 1.00 0.00 O ATOM 621 CB ALA A 41 3.715 10.617 -8.544 1.00 0.00 C ATOM 0 H ALA A 41 1.508 9.444 -9.284 1.00 0.00 H new ATOM 0 HA ALA A 41 4.147 8.522 -8.222 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.513 10.963 -7.888 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.070 10.610 -9.575 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.859 11.287 -8.459 1.00 0.00 H new ATOM 627 N GLY A 42 1.594 9.631 -6.452 1.00 0.00 N ATOM 628 CA GLY A 42 1.065 9.673 -5.054 1.00 0.00 C ATOM 629 C GLY A 42 0.449 8.320 -4.690 1.00 0.00 C ATOM 630 O GLY A 42 -0.558 8.248 -4.016 1.00 0.00 O ATOM 0 H GLY A 42 0.942 9.945 -7.170 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.869 9.915 -4.359 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.316 10.460 -4.963 1.00 0.00 H new ATOM 634 N MET A 43 1.040 7.247 -5.138 1.00 0.00 N ATOM 635 CA MET A 43 0.481 5.900 -4.827 1.00 0.00 C ATOM 636 C MET A 43 0.446 5.683 -3.314 1.00 0.00 C ATOM 637 O MET A 43 -0.523 5.195 -2.769 1.00 0.00 O ATOM 638 CB MET A 43 1.371 4.827 -5.452 1.00 0.00 C ATOM 639 CG MET A 43 1.478 5.071 -6.954 1.00 0.00 C ATOM 640 SD MET A 43 2.216 3.628 -7.760 1.00 0.00 S ATOM 641 CE MET A 43 3.800 3.661 -6.892 1.00 0.00 C ATOM 0 H MET A 43 1.887 7.244 -5.707 1.00 0.00 H new ATOM 0 HA MET A 43 -0.530 5.836 -5.229 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.361 4.850 -4.997 1.00 0.00 H new ATOM 0 HB3 MET A 43 0.955 3.838 -5.262 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.490 5.266 -7.371 1.00 0.00 H new ATOM 0 HG3 MET A 43 2.085 5.956 -7.145 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.584 3.287 -7.551 1.00 0.00 H new ATOM 0 HE2 MET A 43 4.032 4.684 -6.597 1.00 0.00 H new ATOM 0 HE3 MET A 43 3.742 3.031 -6.004 1.00 0.00 H new ATOM 651 N TYR A 44 1.504 6.024 -2.634 1.00 0.00 N ATOM 652 CA TYR A 44 1.546 5.819 -1.159 1.00 0.00 C ATOM 653 C TYR A 44 0.432 6.625 -0.479 1.00 0.00 C ATOM 654 O TYR A 44 -0.240 6.137 0.407 1.00 0.00 O ATOM 655 CB TYR A 44 2.913 6.259 -0.632 1.00 0.00 C ATOM 656 CG TYR A 44 3.989 5.426 -1.289 1.00 0.00 C ATOM 657 CD1 TYR A 44 4.397 4.220 -0.706 1.00 0.00 C ATOM 658 CD2 TYR A 44 4.580 5.862 -2.481 1.00 0.00 C ATOM 659 CE1 TYR A 44 5.396 3.450 -1.316 1.00 0.00 C ATOM 660 CE2 TYR A 44 5.578 5.091 -3.090 1.00 0.00 C ATOM 661 CZ TYR A 44 5.986 3.886 -2.508 1.00 0.00 C ATOM 662 OH TYR A 44 6.970 3.128 -3.108 1.00 0.00 O ATOM 0 H TYR A 44 2.345 6.437 -3.037 1.00 0.00 H new ATOM 0 HA TYR A 44 1.391 4.764 -0.934 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.075 7.316 -0.843 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.954 6.140 0.451 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.942 3.883 0.214 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.266 6.793 -2.931 1.00 0.00 H new ATOM 0 HE1 TYR A 44 5.711 2.520 -0.866 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.033 5.427 -4.010 1.00 0.00 H new ATOM 0 HH TYR A 44 7.272 3.573 -3.927 1.00 0.00 H new ATOM 672 N CYS A 45 0.222 7.849 -0.885 1.00 0.00 N ATOM 673 CA CYS A 45 -0.860 8.664 -0.255 1.00 0.00 C ATOM 674 C CYS A 45 -2.217 8.053 -0.623 1.00 0.00 C ATOM 675 O CYS A 45 -3.031 7.749 0.228 1.00 0.00 O ATOM 676 CB CYS A 45 -0.801 10.103 -0.775 1.00 0.00 C ATOM 677 SG CYS A 45 0.591 10.974 -0.007 1.00 0.00 S ATOM 0 H CYS A 45 0.749 8.319 -1.621 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.728 8.669 0.827 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.689 10.104 -1.859 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.734 10.620 -0.550 1.00 0.00 H new ATOM 682 N ALA A 46 -2.460 7.880 -1.897 1.00 0.00 N ATOM 683 CA ALA A 46 -3.757 7.299 -2.354 1.00 0.00 C ATOM 684 C ALA A 46 -3.943 5.893 -1.775 1.00 0.00 C ATOM 685 O ALA A 46 -5.000 5.542 -1.288 1.00 0.00 O ATOM 686 CB ALA A 46 -3.751 7.212 -3.882 1.00 0.00 C ATOM 0 H ALA A 46 -1.810 8.119 -2.646 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.573 7.935 -2.012 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.695 6.789 -4.226 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.626 8.210 -4.303 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.928 6.576 -4.207 1.00 0.00 H new ATOM 692 N ALA A 47 -2.931 5.080 -1.840 1.00 0.00 N ATOM 693 CA ALA A 47 -3.054 3.697 -1.306 1.00 0.00 C ATOM 694 C ALA A 47 -3.335 3.738 0.196 1.00 0.00 C ATOM 695 O ALA A 47 -4.078 2.932 0.719 1.00 0.00 O ATOM 696 CB ALA A 47 -1.753 2.931 -1.558 1.00 0.00 C ATOM 0 H ALA A 47 -2.022 5.312 -2.240 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.879 3.195 -1.812 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.845 1.918 -1.166 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.557 2.889 -2.629 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.929 3.440 -1.058 1.00 0.00 H new ATOM 702 N LEU A 48 -2.724 4.647 0.901 1.00 0.00 N ATOM 703 CA LEU A 48 -2.937 4.708 2.373 1.00 0.00 C ATOM 704 C LEU A 48 -4.416 4.943 2.703 1.00 0.00 C ATOM 705 O LEU A 48 -4.990 4.230 3.496 1.00 0.00 O ATOM 706 CB LEU A 48 -2.086 5.845 2.953 1.00 0.00 C ATOM 707 CG LEU A 48 -2.276 5.943 4.475 1.00 0.00 C ATOM 708 CD1 LEU A 48 -1.856 4.626 5.149 1.00 0.00 C ATOM 709 CD2 LEU A 48 -1.409 7.092 5.004 1.00 0.00 C ATOM 0 H LEU A 48 -2.088 5.349 0.523 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.640 3.757 2.814 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.035 5.673 2.723 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.364 6.789 2.485 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.326 6.129 4.701 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.995 4.708 6.227 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.468 3.810 4.765 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.807 4.425 4.933 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.533 7.174 6.084 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.362 6.894 4.773 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.714 8.026 4.532 1.00 0.00 H new ATOM 721 N GLU A 49 -5.043 5.930 2.117 1.00 0.00 N ATOM 722 CA GLU A 49 -6.482 6.176 2.445 1.00 0.00 C ATOM 723 C GLU A 49 -7.330 4.950 2.099 1.00 0.00 C ATOM 724 O GLU A 49 -8.230 4.586 2.829 1.00 0.00 O ATOM 725 CB GLU A 49 -7.004 7.404 1.693 1.00 0.00 C ATOM 726 CG GLU A 49 -6.631 7.323 0.215 1.00 0.00 C ATOM 727 CD GLU A 49 -7.168 8.562 -0.505 1.00 0.00 C ATOM 728 OE1 GLU A 49 -8.003 9.241 0.070 1.00 0.00 O ATOM 729 OE2 GLU A 49 -6.732 8.814 -1.616 1.00 0.00 O ATOM 0 H GLU A 49 -4.631 6.568 1.436 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.558 6.363 3.516 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.087 7.469 1.798 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.586 8.311 2.131 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.548 7.263 0.103 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.048 6.419 -0.229 1.00 0.00 H new ATOM 736 N SER A 50 -7.058 4.307 0.998 1.00 0.00 N ATOM 737 CA SER A 50 -7.864 3.107 0.628 1.00 0.00 C ATOM 738 C SER A 50 -7.730 2.041 1.721 1.00 0.00 C ATOM 739 O SER A 50 -8.685 1.377 2.073 1.00 0.00 O ATOM 740 CB SER A 50 -7.360 2.542 -0.700 1.00 0.00 C ATOM 741 OG SER A 50 -7.618 3.479 -1.738 1.00 0.00 O ATOM 0 H SER A 50 -6.318 4.557 0.342 1.00 0.00 H new ATOM 0 HA SER A 50 -8.911 3.392 0.527 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.292 2.335 -0.638 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.856 1.596 -0.917 1.00 0.00 H new ATOM 0 HG SER A 50 -6.921 4.168 -1.737 1.00 0.00 H new ATOM 747 N LEU A 51 -6.552 1.872 2.258 1.00 0.00 N ATOM 748 CA LEU A 51 -6.352 0.848 3.326 1.00 0.00 C ATOM 749 C LEU A 51 -7.090 1.271 4.602 1.00 0.00 C ATOM 750 O LEU A 51 -7.638 0.451 5.313 1.00 0.00 O ATOM 751 CB LEU A 51 -4.857 0.712 3.629 1.00 0.00 C ATOM 752 CG LEU A 51 -4.120 0.114 2.419 1.00 0.00 C ATOM 753 CD1 LEU A 51 -2.612 0.126 2.696 1.00 0.00 C ATOM 754 CD2 LEU A 51 -4.589 -1.334 2.165 1.00 0.00 C ATOM 0 H LEU A 51 -5.717 2.400 2.003 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.747 -0.108 2.982 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.438 1.688 3.873 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.712 0.076 4.502 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.341 0.711 1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.082 -0.297 1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.280 1.151 2.858 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.401 -0.468 3.585 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.058 -1.743 1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.380 -1.944 3.044 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.661 -1.340 1.966 1.00 0.00 H new ATOM 766 N ILE A 52 -7.100 2.541 4.902 1.00 0.00 N ATOM 767 CA ILE A 52 -7.793 3.016 6.137 1.00 0.00 C ATOM 768 C ILE A 52 -9.245 2.521 6.142 1.00 0.00 C ATOM 769 O ILE A 52 -9.932 2.615 7.140 1.00 0.00 O ATOM 770 CB ILE A 52 -7.760 4.555 6.178 1.00 0.00 C ATOM 771 CG1 ILE A 52 -6.325 5.056 6.436 1.00 0.00 C ATOM 772 CG2 ILE A 52 -8.693 5.088 7.267 1.00 0.00 C ATOM 773 CD1 ILE A 52 -5.763 4.522 7.767 1.00 0.00 C ATOM 0 H ILE A 52 -6.658 3.273 4.345 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.284 2.620 7.016 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.100 4.925 5.211 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.678 4.743 5.617 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.317 6.146 6.450 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -8.654 6.177 7.278 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.713 4.763 7.063 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -8.377 4.704 8.237 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.750 4.898 7.911 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.395 4.857 8.589 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.746 3.432 7.744 1.00 0.00 H new ATOM 785 N ASN A 53 -9.721 1.990 5.047 1.00 0.00 N ATOM 786 CA ASN A 53 -11.129 1.490 5.019 1.00 0.00 C ATOM 787 C ASN A 53 -11.174 0.066 5.576 1.00 0.00 C ATOM 788 O ASN A 53 -12.211 -0.419 5.982 1.00 0.00 O ATOM 789 CB ASN A 53 -11.648 1.481 3.577 1.00 0.00 C ATOM 790 CG ASN A 53 -11.935 2.911 3.122 1.00 0.00 C ATOM 791 OD1 ASN A 53 -12.273 3.757 3.924 1.00 0.00 O ATOM 792 ND2 ASN A 53 -11.820 3.219 1.859 1.00 0.00 N ATOM 0 H ASN A 53 -9.201 1.881 4.176 1.00 0.00 H new ATOM 0 HA ASN A 53 -11.754 2.145 5.626 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -10.911 1.021 2.918 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.555 0.880 3.511 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.014 4.170 1.546 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.536 2.508 1.185 1.00 0.00 H new ATOM 799 N VAL A 54 -10.057 -0.610 5.596 1.00 0.00 N ATOM 800 CA VAL A 54 -10.028 -2.008 6.122 1.00 0.00 C ATOM 801 C VAL A 54 -9.706 -1.997 7.619 1.00 0.00 C ATOM 802 O VAL A 54 -8.669 -1.519 8.036 1.00 0.00 O ATOM 803 CB VAL A 54 -8.962 -2.803 5.368 1.00 0.00 C ATOM 804 CG1 VAL A 54 -8.922 -4.242 5.893 1.00 0.00 C ATOM 805 CG2 VAL A 54 -9.307 -2.807 3.877 1.00 0.00 C ATOM 0 H VAL A 54 -9.159 -0.254 5.270 1.00 0.00 H new ATOM 0 HA VAL A 54 -11.003 -2.472 5.977 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.985 -2.344 5.519 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.161 -4.805 5.353 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.682 -4.235 6.956 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.895 -4.711 5.744 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.552 -3.372 3.330 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -10.283 -3.270 3.731 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -9.332 -1.782 3.507 1.00 0.00 H new ATOM 815 N SER A 55 -10.598 -2.519 8.428 1.00 0.00 N ATOM 816 CA SER A 55 -10.376 -2.550 9.911 1.00 0.00 C ATOM 817 C SER A 55 -10.347 -4.001 10.400 1.00 0.00 C ATOM 818 O SER A 55 -10.980 -4.870 9.834 1.00 0.00 O ATOM 819 CB SER A 55 -11.518 -1.808 10.602 1.00 0.00 C ATOM 820 OG SER A 55 -11.485 -0.440 10.221 1.00 0.00 O ATOM 0 H SER A 55 -11.480 -2.929 8.121 1.00 0.00 H new ATOM 0 HA SER A 55 -9.425 -2.072 10.146 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.475 -2.251 10.327 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.424 -1.899 11.684 1.00 0.00 H new ATOM 0 HG SER A 55 -12.218 0.040 10.661 1.00 0.00 H new ATOM 826 N GLY A 56 -9.617 -4.268 11.451 1.00 0.00 N ATOM 827 CA GLY A 56 -9.546 -5.662 11.983 1.00 0.00 C ATOM 828 C GLY A 56 -8.475 -6.448 11.225 1.00 0.00 C ATOM 829 O GLY A 56 -8.665 -7.598 10.879 1.00 0.00 O ATOM 0 H GLY A 56 -9.066 -3.580 11.965 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.313 -5.644 13.048 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.514 -6.152 11.877 1.00 0.00 H new ATOM 833 N CYS A 57 -7.345 -5.838 10.966 1.00 0.00 N ATOM 834 CA CYS A 57 -6.254 -6.549 10.230 1.00 0.00 C ATOM 835 C CYS A 57 -4.894 -6.128 10.791 1.00 0.00 C ATOM 836 O CYS A 57 -4.280 -5.193 10.320 1.00 0.00 O ATOM 837 CB CYS A 57 -6.316 -6.180 8.748 1.00 0.00 C ATOM 838 SG CYS A 57 -7.888 -6.737 8.050 1.00 0.00 S ATOM 0 H CYS A 57 -7.131 -4.877 11.233 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.383 -7.625 10.350 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -6.214 -5.102 8.627 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -5.485 -6.641 8.213 1.00 0.00 H new ATOM 843 N SER A 58 -4.417 -6.819 11.789 1.00 0.00 N ATOM 844 CA SER A 58 -3.093 -6.472 12.381 1.00 0.00 C ATOM 845 C SER A 58 -1.977 -6.860 11.410 1.00 0.00 C ATOM 846 O SER A 58 -0.883 -6.342 11.468 1.00 0.00 O ATOM 847 CB SER A 58 -2.909 -7.230 13.695 1.00 0.00 C ATOM 848 OG SER A 58 -1.728 -6.773 14.339 1.00 0.00 O ATOM 0 H SER A 58 -4.889 -7.613 12.222 1.00 0.00 H new ATOM 0 HA SER A 58 -3.052 -5.399 12.569 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.773 -7.075 14.342 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.842 -8.301 13.504 1.00 0.00 H new ATOM 0 HG SER A 58 -1.608 -7.256 15.183 1.00 0.00 H new ATOM 854 N ALA A 59 -2.241 -7.778 10.530 1.00 0.00 N ATOM 855 CA ALA A 59 -1.192 -8.214 9.567 1.00 0.00 C ATOM 856 C ALA A 59 -0.638 -7.012 8.791 1.00 0.00 C ATOM 857 O ALA A 59 0.545 -6.940 8.521 1.00 0.00 O ATOM 858 CB ALA A 59 -1.791 -9.223 8.585 1.00 0.00 C ATOM 0 H ALA A 59 -3.141 -8.249 10.433 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.377 -8.677 10.123 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.024 -9.543 7.879 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.163 -10.088 9.134 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.613 -8.758 8.041 1.00 0.00 H new ATOM 864 N ILE A 60 -1.478 -6.081 8.402 1.00 0.00 N ATOM 865 CA ILE A 60 -0.990 -4.902 7.610 1.00 0.00 C ATOM 866 C ILE A 60 -0.826 -3.654 8.490 1.00 0.00 C ATOM 867 O ILE A 60 -0.590 -2.573 7.987 1.00 0.00 O ATOM 868 CB ILE A 60 -1.991 -4.606 6.489 1.00 0.00 C ATOM 869 CG1 ILE A 60 -3.372 -4.285 7.082 1.00 0.00 C ATOM 870 CG2 ILE A 60 -2.105 -5.831 5.581 1.00 0.00 C ATOM 871 CD1 ILE A 60 -4.329 -3.865 5.962 1.00 0.00 C ATOM 0 H ILE A 60 -2.479 -6.085 8.598 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.012 -5.150 7.197 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.641 -3.747 5.916 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.767 -5.157 7.603 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.286 -3.486 7.819 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.816 -5.626 4.781 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.130 -6.057 5.150 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.450 -6.685 6.164 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.307 -3.638 6.385 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.936 -2.980 5.461 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.425 -4.677 5.242 1.00 0.00 H new ATOM 883 N GLU A 61 -0.939 -3.769 9.786 1.00 0.00 N ATOM 884 CA GLU A 61 -0.774 -2.550 10.634 1.00 0.00 C ATOM 885 C GLU A 61 0.625 -1.984 10.403 1.00 0.00 C ATOM 886 O GLU A 61 0.813 -0.795 10.242 1.00 0.00 O ATOM 887 CB GLU A 61 -0.945 -2.915 12.114 1.00 0.00 C ATOM 888 CG GLU A 61 0.248 -3.755 12.589 1.00 0.00 C ATOM 889 CD GLU A 61 -0.101 -4.447 13.908 1.00 0.00 C ATOM 890 OE1 GLU A 61 -0.995 -3.971 14.586 1.00 0.00 O ATOM 891 OE2 GLU A 61 0.531 -5.445 14.215 1.00 0.00 O ATOM 0 H GLU A 61 -1.134 -4.635 10.288 1.00 0.00 H new ATOM 0 HA GLU A 61 -1.527 -1.809 10.367 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.024 -2.008 12.714 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.871 -3.472 12.255 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.505 -4.498 11.834 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.123 -3.119 12.721 1.00 0.00 H new ATOM 898 N LYS A 62 1.605 -2.839 10.367 1.00 0.00 N ATOM 899 CA LYS A 62 2.997 -2.372 10.124 1.00 0.00 C ATOM 900 C LYS A 62 3.071 -1.740 8.735 1.00 0.00 C ATOM 901 O LYS A 62 3.724 -0.738 8.525 1.00 0.00 O ATOM 902 CB LYS A 62 3.959 -3.557 10.214 1.00 0.00 C ATOM 903 CG LYS A 62 4.047 -4.015 11.671 1.00 0.00 C ATOM 904 CD LYS A 62 5.064 -5.155 11.806 1.00 0.00 C ATOM 905 CE LYS A 62 4.482 -6.461 11.251 1.00 0.00 C ATOM 906 NZ LYS A 62 5.317 -7.605 11.711 1.00 0.00 N ATOM 0 H LYS A 62 1.502 -3.846 10.496 1.00 0.00 H new ATOM 0 HA LYS A 62 3.279 -1.634 10.875 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.610 -4.374 9.583 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.945 -3.270 9.849 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.340 -3.179 12.306 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.068 -4.348 12.015 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.978 -4.900 11.270 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.335 -5.287 12.854 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.453 -6.587 11.589 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.458 -6.428 10.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.926 -8.493 11.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.291 -7.484 11.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.318 -7.638 12.750 1.00 0.00 H new ATOM 920 N THR A 63 2.396 -2.324 7.784 1.00 0.00 N ATOM 921 CA THR A 63 2.410 -1.772 6.403 1.00 0.00 C ATOM 922 C THR A 63 1.886 -0.337 6.424 1.00 0.00 C ATOM 923 O THR A 63 2.361 0.517 5.705 1.00 0.00 O ATOM 924 CB THR A 63 1.515 -2.627 5.503 1.00 0.00 C ATOM 925 OG1 THR A 63 2.002 -3.961 5.487 1.00 0.00 O ATOM 926 CG2 THR A 63 1.525 -2.062 4.082 1.00 0.00 C ATOM 0 H THR A 63 1.832 -3.165 7.906 1.00 0.00 H new ATOM 0 HA THR A 63 3.430 -1.782 6.018 1.00 0.00 H new ATOM 0 HB THR A 63 0.495 -2.615 5.888 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.430 -4.511 4.913 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.887 -2.673 3.443 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.152 -1.038 4.095 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.543 -2.072 3.694 1.00 0.00 H new ATOM 934 N GLN A 64 0.902 -0.064 7.234 1.00 0.00 N ATOM 935 CA GLN A 64 0.344 1.316 7.280 1.00 0.00 C ATOM 936 C GLN A 64 1.445 2.300 7.684 1.00 0.00 C ATOM 937 O GLN A 64 1.576 3.366 7.117 1.00 0.00 O ATOM 938 CB GLN A 64 -0.776 1.369 8.322 1.00 0.00 C ATOM 939 CG GLN A 64 -1.979 0.563 7.830 1.00 0.00 C ATOM 940 CD GLN A 64 -2.624 1.282 6.648 1.00 0.00 C ATOM 941 OE1 GLN A 64 -3.183 2.349 6.802 1.00 0.00 O ATOM 942 NE2 GLN A 64 -2.571 0.738 5.465 1.00 0.00 N ATOM 0 H GLN A 64 0.461 -0.734 7.864 1.00 0.00 H new ATOM 0 HA GLN A 64 -0.045 1.584 6.298 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.421 0.968 9.271 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.069 2.403 8.503 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.663 -0.437 7.533 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.703 0.442 8.635 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -2.101 -0.158 5.336 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.999 1.208 4.668 1.00 0.00 H new ATOM 951 N ARG A 65 2.236 1.954 8.662 1.00 0.00 N ATOM 952 CA ARG A 65 3.327 2.872 9.103 1.00 0.00 C ATOM 953 C ARG A 65 4.351 3.056 7.979 1.00 0.00 C ATOM 954 O ARG A 65 4.761 4.159 7.679 1.00 0.00 O ATOM 955 CB ARG A 65 4.017 2.276 10.333 1.00 0.00 C ATOM 956 CG ARG A 65 5.136 3.205 10.821 1.00 0.00 C ATOM 957 CD ARG A 65 5.791 2.593 12.062 1.00 0.00 C ATOM 958 NE ARG A 65 6.760 3.570 12.667 1.00 0.00 N ATOM 959 CZ ARG A 65 7.770 4.050 11.990 1.00 0.00 C ATOM 960 NH1 ARG A 65 8.075 3.565 10.818 1.00 0.00 N ATOM 961 NH2 ARG A 65 8.514 4.985 12.516 1.00 0.00 N ATOM 0 H ARG A 65 2.175 1.075 9.176 1.00 0.00 H new ATOM 0 HA ARG A 65 2.900 3.844 9.351 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.288 2.125 11.129 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.429 1.297 10.088 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.878 3.345 10.035 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.731 4.189 11.056 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.027 2.326 12.792 1.00 0.00 H new ATOM 0 HD3 ARG A 65 6.310 1.673 11.793 1.00 0.00 H new ATOM 0 HE ARG A 65 6.626 3.867 13.634 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.523 2.804 10.422 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.865 3.947 10.298 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.306 5.337 13.450 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.303 5.363 11.993 1.00 0.00 H new ATOM 975 N MET A 66 4.782 1.985 7.367 1.00 0.00 N ATOM 976 CA MET A 66 5.797 2.111 6.281 1.00 0.00 C ATOM 977 C MET A 66 5.233 2.933 5.123 1.00 0.00 C ATOM 978 O MET A 66 5.921 3.752 4.546 1.00 0.00 O ATOM 979 CB MET A 66 6.194 0.720 5.783 1.00 0.00 C ATOM 980 CG MET A 66 7.009 0.007 6.866 1.00 0.00 C ATOM 981 SD MET A 66 7.687 -1.540 6.210 1.00 0.00 S ATOM 982 CE MET A 66 6.133 -2.457 6.085 1.00 0.00 C ATOM 0 H MET A 66 4.477 1.033 7.571 1.00 0.00 H new ATOM 0 HA MET A 66 6.677 2.618 6.677 1.00 0.00 H new ATOM 0 HB2 MET A 66 5.303 0.140 5.541 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.779 0.803 4.867 1.00 0.00 H new ATOM 0 HG2 MET A 66 7.818 0.652 7.209 1.00 0.00 H new ATOM 0 HG3 MET A 66 6.378 -0.200 7.731 1.00 0.00 H new ATOM 0 HE1 MET A 66 6.339 -3.483 5.779 1.00 0.00 H new ATOM 0 HE2 MET A 66 5.634 -2.461 7.054 1.00 0.00 H new ATOM 0 HE3 MET A 66 5.488 -1.981 5.346 1.00 0.00 H new ATOM 992 N LEU A 67 3.989 2.741 4.781 1.00 0.00 N ATOM 993 CA LEU A 67 3.407 3.538 3.667 1.00 0.00 C ATOM 994 C LEU A 67 3.470 5.013 4.050 1.00 0.00 C ATOM 995 O LEU A 67 3.770 5.868 3.242 1.00 0.00 O ATOM 996 CB LEU A 67 1.948 3.138 3.446 1.00 0.00 C ATOM 997 CG LEU A 67 1.860 1.724 2.852 1.00 0.00 C ATOM 998 CD1 LEU A 67 0.401 1.261 2.899 1.00 0.00 C ATOM 999 CD2 LEU A 67 2.352 1.717 1.391 1.00 0.00 C ATOM 0 H LEU A 67 3.356 2.073 5.221 1.00 0.00 H new ATOM 0 HA LEU A 67 3.967 3.356 2.750 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.408 3.175 4.392 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.467 3.851 2.776 1.00 0.00 H new ATOM 0 HG LEU A 67 2.491 1.052 3.433 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.324 0.258 2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.056 1.250 3.933 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.217 1.945 2.318 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.282 0.707 0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.734 2.389 0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.389 2.051 1.355 1.00 0.00 H new ATOM 1011 N SER A 68 3.196 5.313 5.289 1.00 0.00 N ATOM 1012 CA SER A 68 3.245 6.727 5.745 1.00 0.00 C ATOM 1013 C SER A 68 4.657 7.268 5.532 1.00 0.00 C ATOM 1014 O SER A 68 4.845 8.400 5.132 1.00 0.00 O ATOM 1015 CB SER A 68 2.888 6.800 7.229 1.00 0.00 C ATOM 1016 OG SER A 68 1.568 6.306 7.419 1.00 0.00 O ATOM 0 H SER A 68 2.939 4.636 6.007 1.00 0.00 H new ATOM 0 HA SER A 68 2.531 7.323 5.176 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.596 6.214 7.815 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.958 7.829 7.582 1.00 0.00 H new ATOM 0 HG SER A 68 1.563 5.333 7.302 1.00 0.00 H new ATOM 1022 N GLY A 69 5.653 6.469 5.801 1.00 0.00 N ATOM 1023 CA GLY A 69 7.054 6.941 5.617 1.00 0.00 C ATOM 1024 C GLY A 69 7.206 7.562 4.227 1.00 0.00 C ATOM 1025 O GLY A 69 7.990 8.469 4.028 1.00 0.00 O ATOM 0 H GLY A 69 5.557 5.512 6.140 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.306 7.674 6.384 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.748 6.108 5.732 1.00 0.00 H new ATOM 1029 N PHE A 70 6.454 7.095 3.261 1.00 0.00 N ATOM 1030 CA PHE A 70 6.551 7.678 1.885 1.00 0.00 C ATOM 1031 C PHE A 70 5.462 8.734 1.712 1.00 0.00 C ATOM 1032 O PHE A 70 5.515 9.554 0.817 1.00 0.00 O ATOM 1033 CB PHE A 70 6.347 6.582 0.837 1.00 0.00 C ATOM 1034 CG PHE A 70 7.536 5.655 0.831 1.00 0.00 C ATOM 1035 CD1 PHE A 70 8.623 5.925 -0.007 1.00 0.00 C ATOM 1036 CD2 PHE A 70 7.548 4.525 1.654 1.00 0.00 C ATOM 1037 CE1 PHE A 70 9.725 5.066 -0.022 1.00 0.00 C ATOM 1038 CE2 PHE A 70 8.651 3.663 1.641 1.00 0.00 C ATOM 1039 CZ PHE A 70 9.740 3.934 0.802 1.00 0.00 C ATOM 0 H PHE A 70 5.779 6.338 3.364 1.00 0.00 H new ATOM 0 HA PHE A 70 7.536 8.126 1.755 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.438 6.021 1.056 1.00 0.00 H new ATOM 0 HB3 PHE A 70 6.217 7.028 -0.149 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.610 6.798 -0.643 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.707 4.317 2.299 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.564 5.275 -0.669 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.663 2.790 2.277 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.591 3.269 0.791 1.00 0.00 H new ATOM 1049 N CYS A 71 4.470 8.716 2.563 1.00 0.00 N ATOM 1050 CA CYS A 71 3.362 9.712 2.461 1.00 0.00 C ATOM 1051 C CYS A 71 2.942 10.158 3.877 1.00 0.00 C ATOM 1052 O CYS A 71 2.078 9.546 4.471 1.00 0.00 O ATOM 1053 CB CYS A 71 2.161 9.058 1.739 1.00 0.00 C ATOM 1054 SG CYS A 71 2.095 9.625 0.016 1.00 0.00 S ATOM 0 H CYS A 71 4.379 8.049 3.330 1.00 0.00 H new ATOM 0 HA CYS A 71 3.696 10.583 1.896 1.00 0.00 H new ATOM 0 HB2 CYS A 71 2.253 7.972 1.771 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.234 9.314 2.251 1.00 0.00 H new ATOM 1059 N PRO A 72 3.525 11.217 4.412 1.00 0.00 N ATOM 1060 CA PRO A 72 3.139 11.724 5.771 1.00 0.00 C ATOM 1061 C PRO A 72 1.658 12.123 5.825 1.00 0.00 C ATOM 1062 O PRO A 72 1.292 13.116 6.423 1.00 0.00 O ATOM 1063 CB PRO A 72 4.049 12.957 5.928 1.00 0.00 C ATOM 1064 CG PRO A 72 5.138 12.879 4.849 1.00 0.00 C ATOM 1065 CD PRO A 72 4.611 11.976 3.726 1.00 0.00 C ATOM 0 HA PRO A 72 3.259 10.982 6.560 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.470 13.875 5.821 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.497 12.977 6.922 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.369 13.873 4.465 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.061 12.475 5.265 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.233 12.554 2.883 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.386 11.315 3.338 1.00 0.00 H new ATOM 1073 N HIS A 73 0.816 11.381 5.166 1.00 0.00 N ATOM 1074 CA HIS A 73 -0.627 11.727 5.120 1.00 0.00 C ATOM 1075 C HIS A 73 -1.380 11.071 6.280 1.00 0.00 C ATOM 1076 O HIS A 73 -1.705 9.901 6.242 1.00 0.00 O ATOM 1077 CB HIS A 73 -1.193 11.217 3.773 1.00 0.00 C ATOM 1078 CG HIS A 73 -2.041 12.273 3.131 1.00 0.00 C ATOM 1079 ND1 HIS A 73 -3.423 12.254 3.188 1.00 0.00 N ATOM 1080 CD2 HIS A 73 -1.703 13.390 2.421 1.00 0.00 C ATOM 1081 CE1 HIS A 73 -3.867 13.335 2.527 1.00 0.00 C ATOM 1082 NE2 HIS A 73 -2.860 14.066 2.037 1.00 0.00 N ATOM 0 H HIS A 73 1.071 10.538 4.651 1.00 0.00 H new ATOM 0 HA HIS A 73 -0.751 12.806 5.209 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.374 10.944 3.107 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -1.784 10.316 3.937 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -0.694 13.701 2.192 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -4.911 13.584 2.406 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -2.925 14.930 1.499 1.00 0.00 H new ATOM 1090 N LYS A 74 -1.699 11.830 7.289 1.00 0.00 N ATOM 1091 CA LYS A 74 -2.477 11.263 8.419 1.00 0.00 C ATOM 1092 C LYS A 74 -3.943 11.234 7.990 1.00 0.00 C ATOM 1093 O LYS A 74 -4.666 12.198 8.142 1.00 0.00 O ATOM 1094 CB LYS A 74 -2.304 12.147 9.655 1.00 0.00 C ATOM 1095 CG LYS A 74 -0.869 12.002 10.180 1.00 0.00 C ATOM 1096 CD LYS A 74 -0.663 12.881 11.426 1.00 0.00 C ATOM 1097 CE LYS A 74 -0.306 14.315 11.010 1.00 0.00 C ATOM 1098 NZ LYS A 74 0.998 14.308 10.287 1.00 0.00 N ATOM 0 H LYS A 74 -1.455 12.816 7.379 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.133 10.259 8.668 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.509 13.188 9.404 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.018 11.858 10.427 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.668 10.959 10.425 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.160 12.289 9.403 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.570 12.885 12.031 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.132 12.466 12.046 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.087 14.726 10.370 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.244 14.956 11.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.637 15.006 10.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.425 13.362 10.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.842 14.551 9.288 1.00 0.00 H new ATOM 1112 N VAL A 75 -4.379 10.140 7.425 1.00 0.00 N ATOM 1113 CA VAL A 75 -5.790 10.047 6.948 1.00 0.00 C ATOM 1114 C VAL A 75 -6.665 9.409 8.029 1.00 0.00 C ATOM 1115 O VAL A 75 -6.305 8.414 8.626 1.00 0.00 O ATOM 1116 CB VAL A 75 -5.833 9.175 5.690 1.00 0.00 C ATOM 1117 CG1 VAL A 75 -7.277 9.064 5.190 1.00 0.00 C ATOM 1118 CG2 VAL A 75 -4.960 9.803 4.595 1.00 0.00 C ATOM 0 H VAL A 75 -3.816 9.303 7.273 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.164 11.047 6.727 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.454 8.181 5.929 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -7.305 8.443 4.295 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.897 8.612 5.965 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.658 10.058 4.954 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.993 9.180 3.701 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.335 10.799 4.357 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.931 9.877 4.948 1.00 0.00 H new ATOM 1128 N SER A 76 -7.823 9.970 8.271 1.00 0.00 N ATOM 1129 CA SER A 76 -8.749 9.403 9.300 1.00 0.00 C ATOM 1130 C SER A 76 -9.885 8.658 8.594 1.00 0.00 C ATOM 1131 O SER A 76 -10.166 8.892 7.435 1.00 0.00 O ATOM 1132 CB SER A 76 -9.337 10.541 10.135 1.00 0.00 C ATOM 1133 OG SER A 76 -8.280 11.335 10.656 1.00 0.00 O ATOM 0 H SER A 76 -8.170 10.803 7.796 1.00 0.00 H new ATOM 0 HA SER A 76 -8.203 8.718 9.949 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.999 11.153 9.522 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.939 10.137 10.949 1.00 0.00 H new ATOM 0 HG SER A 76 -8.653 12.067 11.191 1.00 0.00 H new ATOM 1139 N ALA A 77 -10.541 7.764 9.279 1.00 0.00 N ATOM 1140 CA ALA A 77 -11.658 7.011 8.644 1.00 0.00 C ATOM 1141 C ALA A 77 -12.751 7.989 8.206 1.00 0.00 C ATOM 1142 O ALA A 77 -13.734 7.603 7.606 1.00 0.00 O ATOM 1143 CB ALA A 77 -12.238 6.012 9.647 1.00 0.00 C ATOM 0 H ALA A 77 -10.352 7.522 10.252 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.283 6.473 7.773 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.055 5.462 9.181 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.460 5.314 9.956 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.612 6.548 10.519 1.00 0.00 H new ATOM 1149 N GLY A 78 -12.587 9.256 8.504 1.00 0.00 N ATOM 1150 CA GLY A 78 -13.612 10.275 8.109 1.00 0.00 C ATOM 1151 C GLY A 78 -13.068 11.132 6.962 1.00 0.00 C ATOM 1152 O GLY A 78 -13.808 11.607 6.124 1.00 0.00 O ATOM 0 H GLY A 78 -11.782 9.630 9.007 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.533 9.779 7.801 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.860 10.906 8.962 1.00 0.00 H new ATOM 1156 N GLN A 79 -11.776 11.340 6.920 1.00 0.00 N ATOM 1157 CA GLN A 79 -11.177 12.173 5.831 1.00 0.00 C ATOM 1158 C GLN A 79 -10.756 11.284 4.656 1.00 0.00 C ATOM 1159 O GLN A 79 -9.980 10.365 4.813 1.00 0.00 O ATOM 1160 CB GLN A 79 -9.948 12.902 6.374 1.00 0.00 C ATOM 1161 CG GLN A 79 -10.391 13.979 7.365 1.00 0.00 C ATOM 1162 CD GLN A 79 -9.164 14.560 8.069 1.00 0.00 C ATOM 1163 OE1 GLN A 79 -8.149 13.904 8.188 1.00 0.00 O ATOM 1164 NE2 GLN A 79 -9.214 15.774 8.545 1.00 0.00 N ATOM 0 H GLN A 79 -11.108 10.968 7.595 1.00 0.00 H new ATOM 0 HA GLN A 79 -11.918 12.894 5.486 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.279 12.194 6.864 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.389 13.354 5.555 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.932 14.768 6.843 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -11.077 13.554 8.098 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -10.066 16.326 8.446 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.401 16.171 9.016 1.00 0.00 H new ATOM 1173 N PHE A 80 -11.262 11.559 3.476 1.00 0.00 N ATOM 1174 CA PHE A 80 -10.893 10.743 2.272 1.00 0.00 C ATOM 1175 C PHE A 80 -10.490 11.674 1.123 1.00 0.00 C ATOM 1176 O PHE A 80 -10.961 12.791 1.032 1.00 0.00 O ATOM 1177 CB PHE A 80 -12.086 9.897 1.849 1.00 0.00 C ATOM 1178 CG PHE A 80 -12.398 8.896 2.933 1.00 0.00 C ATOM 1179 CD1 PHE A 80 -11.644 7.722 3.033 1.00 0.00 C ATOM 1180 CD2 PHE A 80 -13.437 9.141 3.838 1.00 0.00 C ATOM 1181 CE1 PHE A 80 -11.928 6.791 4.036 1.00 0.00 C ATOM 1182 CE2 PHE A 80 -13.722 8.209 4.843 1.00 0.00 C ATOM 1183 CZ PHE A 80 -12.967 7.034 4.942 1.00 0.00 C ATOM 0 H PHE A 80 -11.919 12.318 3.294 1.00 0.00 H new ATOM 0 HA PHE A 80 -10.054 10.092 2.518 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -12.951 10.534 1.667 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -11.867 9.381 0.914 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -10.842 7.535 2.335 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -14.018 10.048 3.761 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -11.346 5.884 4.112 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -14.524 8.396 5.542 1.00 0.00 H new ATOM 0 HZ PHE A 80 -13.186 6.315 5.718 1.00 0.00 H new ATOM 1193 N SER A 81 -9.606 11.227 0.254 1.00 0.00 N ATOM 1194 CA SER A 81 -9.149 12.090 -0.890 1.00 0.00 C ATOM 1195 C SER A 81 -9.414 11.419 -2.250 1.00 0.00 C ATOM 1196 O SER A 81 -9.932 12.038 -3.158 1.00 0.00 O ATOM 1197 CB SER A 81 -7.647 12.340 -0.750 1.00 0.00 C ATOM 1198 OG SER A 81 -7.374 12.844 0.551 1.00 0.00 O ATOM 0 H SER A 81 -9.181 10.300 0.288 1.00 0.00 H new ATOM 0 HA SER A 81 -9.708 13.025 -0.855 1.00 0.00 H new ATOM 0 HB2 SER A 81 -7.096 11.415 -0.917 1.00 0.00 H new ATOM 0 HB3 SER A 81 -7.313 13.051 -1.506 1.00 0.00 H new ATOM 0 HG SER A 81 -6.412 13.004 0.645 1.00 0.00 H new ATOM 1204 N SER A 82 -9.023 10.177 -2.421 1.00 0.00 N ATOM 1205 CA SER A 82 -9.211 9.498 -3.750 1.00 0.00 C ATOM 1206 C SER A 82 -10.484 8.640 -3.786 1.00 0.00 C ATOM 1207 O SER A 82 -10.733 7.945 -4.751 1.00 0.00 O ATOM 1208 CB SER A 82 -8.002 8.602 -4.026 1.00 0.00 C ATOM 1209 OG SER A 82 -8.086 8.096 -5.352 1.00 0.00 O ATOM 0 H SER A 82 -8.583 9.603 -1.701 1.00 0.00 H new ATOM 0 HA SER A 82 -9.307 10.273 -4.510 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.079 9.167 -3.898 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.974 7.779 -3.312 1.00 0.00 H new ATOM 0 HG SER A 82 -9.027 7.974 -5.597 1.00 0.00 H new ATOM 1215 N LEU A 83 -11.287 8.660 -2.760 1.00 0.00 N ATOM 1216 CA LEU A 83 -12.525 7.818 -2.773 1.00 0.00 C ATOM 1217 C LEU A 83 -13.673 8.568 -3.458 1.00 0.00 C ATOM 1218 O LEU A 83 -14.814 8.156 -3.396 1.00 0.00 O ATOM 1219 CB LEU A 83 -12.935 7.470 -1.347 1.00 0.00 C ATOM 1220 CG LEU A 83 -11.937 6.476 -0.727 1.00 0.00 C ATOM 1221 CD1 LEU A 83 -11.963 5.131 -1.480 1.00 0.00 C ATOM 1222 CD2 LEU A 83 -10.515 7.062 -0.751 1.00 0.00 C ATOM 0 H LEU A 83 -11.146 9.217 -1.917 1.00 0.00 H new ATOM 0 HA LEU A 83 -12.313 6.903 -3.326 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -12.977 8.376 -0.743 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.936 7.039 -1.345 1.00 0.00 H new ATOM 0 HG LEU A 83 -12.233 6.300 0.307 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -11.250 4.445 -1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -12.964 4.703 -1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -11.694 5.293 -2.524 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.820 6.348 -0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -10.222 7.264 -1.781 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.494 7.990 -0.179 1.00 0.00 H new ATOM 1234 N HIS A 84 -13.392 9.666 -4.105 1.00 0.00 N ATOM 1235 CA HIS A 84 -14.485 10.428 -4.780 1.00 0.00 C ATOM 1236 C HIS A 84 -14.880 9.721 -6.081 1.00 0.00 C ATOM 1237 O HIS A 84 -15.935 9.960 -6.633 1.00 0.00 O ATOM 1238 CB HIS A 84 -14.001 11.847 -5.102 1.00 0.00 C ATOM 1239 CG HIS A 84 -13.179 12.366 -3.959 1.00 0.00 C ATOM 1240 ND1 HIS A 84 -13.169 11.749 -2.721 1.00 0.00 N ATOM 1241 CD2 HIS A 84 -12.329 13.438 -3.853 1.00 0.00 C ATOM 1242 CE1 HIS A 84 -12.337 12.446 -1.928 1.00 0.00 C ATOM 1243 NE2 HIS A 84 -11.797 13.487 -2.568 1.00 0.00 N ATOM 0 H HIS A 84 -12.459 10.068 -4.196 1.00 0.00 H new ATOM 0 HA HIS A 84 -15.348 10.478 -4.116 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -13.409 11.842 -6.017 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -14.854 12.503 -5.278 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -12.107 14.137 -4.646 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -12.130 12.195 -0.898 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -11.137 14.170 -2.195 1.00 0.00 H new ATOM 1251 N VAL A 85 -14.035 8.861 -6.578 1.00 0.00 N ATOM 1252 CA VAL A 85 -14.352 8.145 -7.848 1.00 0.00 C ATOM 1253 C VAL A 85 -15.361 7.024 -7.579 1.00 0.00 C ATOM 1254 O VAL A 85 -15.362 6.413 -6.529 1.00 0.00 O ATOM 1255 CB VAL A 85 -13.066 7.550 -8.421 1.00 0.00 C ATOM 1256 CG1 VAL A 85 -12.017 8.653 -8.576 1.00 0.00 C ATOM 1257 CG2 VAL A 85 -12.536 6.476 -7.469 1.00 0.00 C ATOM 0 H VAL A 85 -13.136 8.622 -6.159 1.00 0.00 H new ATOM 0 HA VAL A 85 -14.784 8.847 -8.561 1.00 0.00 H new ATOM 0 HB VAL A 85 -13.273 7.106 -9.395 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.100 8.228 -8.985 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -12.394 9.421 -9.252 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -11.809 9.097 -7.602 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.619 6.050 -7.876 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -12.329 6.922 -6.496 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -13.282 5.690 -7.356 1.00 0.00 H new ATOM 1267 N ARG A 86 -16.225 6.750 -8.526 1.00 0.00 N ATOM 1268 CA ARG A 86 -17.244 5.670 -8.336 1.00 0.00 C ATOM 1269 C ARG A 86 -16.722 4.361 -8.936 1.00 0.00 C ATOM 1270 O ARG A 86 -17.393 3.713 -9.716 1.00 0.00 O ATOM 1271 CB ARG A 86 -18.537 6.067 -9.052 1.00 0.00 C ATOM 1272 CG ARG A 86 -19.118 7.324 -8.402 1.00 0.00 C ATOM 1273 CD ARG A 86 -20.410 7.713 -9.124 1.00 0.00 C ATOM 1274 NE ARG A 86 -20.839 9.087 -8.696 1.00 0.00 N ATOM 1275 CZ ARG A 86 -21.071 9.378 -7.444 1.00 0.00 C ATOM 1276 NH1 ARG A 86 -21.095 8.440 -6.538 1.00 0.00 N ATOM 1277 NH2 ARG A 86 -21.330 10.612 -7.106 1.00 0.00 N ATOM 0 H ARG A 86 -16.269 7.229 -9.425 1.00 0.00 H new ATOM 0 HA ARG A 86 -17.435 5.534 -7.271 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -18.338 6.250 -10.108 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -19.259 5.252 -9.000 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -19.318 7.142 -7.346 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -18.398 8.141 -8.454 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -20.255 7.690 -10.203 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -21.195 6.991 -8.899 1.00 0.00 H new ATOM 0 HE ARG A 86 -20.952 9.813 -9.403 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -20.932 7.469 -6.805 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -21.277 8.677 -5.563 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -21.350 11.342 -7.818 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -21.512 10.846 -6.130 1.00 0.00 H new ATOM 1291 N ASP A 87 -15.532 3.967 -8.575 1.00 0.00 N ATOM 1292 CA ASP A 87 -14.960 2.699 -9.117 1.00 0.00 C ATOM 1293 C ASP A 87 -15.472 1.515 -8.299 1.00 0.00 C ATOM 1294 O ASP A 87 -16.103 1.679 -7.279 1.00 0.00 O ATOM 1295 CB ASP A 87 -13.434 2.749 -9.036 1.00 0.00 C ATOM 1296 CG ASP A 87 -12.904 3.766 -10.048 1.00 0.00 C ATOM 1297 OD1 ASP A 87 -13.609 4.044 -11.004 1.00 0.00 O ATOM 1298 OD2 ASP A 87 -11.801 4.248 -9.850 1.00 0.00 O ATOM 0 H ASP A 87 -14.928 4.470 -7.925 1.00 0.00 H new ATOM 0 HA ASP A 87 -15.266 2.582 -10.157 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -13.121 3.025 -8.029 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -13.016 1.764 -9.241 1.00 0.00 H new ATOM 1303 N THR A 88 -15.203 0.318 -8.738 1.00 0.00 N ATOM 1304 CA THR A 88 -15.671 -0.880 -7.981 1.00 0.00 C ATOM 1305 C THR A 88 -14.577 -1.299 -7.000 1.00 0.00 C ATOM 1306 O THR A 88 -13.405 -1.095 -7.242 1.00 0.00 O ATOM 1307 CB THR A 88 -15.950 -2.028 -8.954 1.00 0.00 C ATOM 1308 OG1 THR A 88 -16.744 -1.551 -10.032 1.00 0.00 O ATOM 1309 CG2 THR A 88 -16.698 -3.140 -8.221 1.00 0.00 C ATOM 0 H THR A 88 -14.679 0.115 -9.589 1.00 0.00 H new ATOM 0 HA THR A 88 -16.586 -0.641 -7.440 1.00 0.00 H new ATOM 0 HB THR A 88 -15.009 -2.417 -9.342 1.00 0.00 H new ATOM 0 HG1 THR A 88 -16.922 -2.285 -10.657 1.00 0.00 H new ATOM 0 HG21 THR A 88 -16.899 -3.960 -8.911 1.00 0.00 H new ATOM 0 HG22 THR A 88 -16.089 -3.503 -7.393 1.00 0.00 H new ATOM 0 HG23 THR A 88 -17.641 -2.752 -7.835 1.00 0.00 H new ATOM 1317 N LYS A 89 -14.947 -1.876 -5.888 1.00 0.00 N ATOM 1318 CA LYS A 89 -13.920 -2.295 -4.890 1.00 0.00 C ATOM 1319 C LYS A 89 -13.341 -3.655 -5.281 1.00 0.00 C ATOM 1320 O LYS A 89 -13.965 -4.427 -5.982 1.00 0.00 O ATOM 1321 CB LYS A 89 -14.557 -2.395 -3.500 1.00 0.00 C ATOM 1322 CG LYS A 89 -14.868 -0.993 -2.956 1.00 0.00 C ATOM 1323 CD LYS A 89 -15.505 -1.096 -1.556 1.00 0.00 C ATOM 1324 CE LYS A 89 -17.024 -1.260 -1.673 1.00 0.00 C ATOM 1325 NZ LYS A 89 -17.577 -1.690 -0.357 1.00 0.00 N ATOM 0 H LYS A 89 -15.913 -2.075 -5.628 1.00 0.00 H new ATOM 0 HA LYS A 89 -13.122 -1.553 -4.871 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -15.473 -2.984 -3.553 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -13.883 -2.915 -2.820 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.953 -0.403 -2.905 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -15.545 -0.473 -3.634 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -15.081 -1.944 -1.018 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -15.273 -0.202 -0.977 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -17.480 -0.319 -1.982 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -17.264 -1.997 -2.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -18.608 -1.802 -0.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -17.150 -2.597 -0.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -17.359 -0.971 0.363 1.00 0.00 H new ATOM 1339 N ILE A 90 -12.141 -3.947 -4.834 1.00 0.00 N ATOM 1340 CA ILE A 90 -11.489 -5.254 -5.171 1.00 0.00 C ATOM 1341 C ILE A 90 -10.931 -5.902 -3.898 1.00 0.00 C ATOM 1342 O ILE A 90 -10.761 -5.260 -2.881 1.00 0.00 O ATOM 1343 CB ILE A 90 -10.356 -5.011 -6.173 1.00 0.00 C ATOM 1344 CG1 ILE A 90 -9.389 -3.960 -5.619 1.00 0.00 C ATOM 1345 CG2 ILE A 90 -10.946 -4.513 -7.495 1.00 0.00 C ATOM 1346 CD1 ILE A 90 -8.218 -3.785 -6.587 1.00 0.00 C ATOM 0 H ILE A 90 -11.581 -3.330 -4.245 1.00 0.00 H new ATOM 0 HA ILE A 90 -12.226 -5.924 -5.613 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.816 -5.943 -6.339 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -9.906 -3.011 -5.482 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -9.022 -4.268 -4.640 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -10.142 -4.339 -8.210 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -11.630 -5.262 -7.893 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -11.487 -3.582 -7.324 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.529 -3.037 -6.194 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.696 -4.735 -6.702 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.593 -3.458 -7.557 1.00 0.00 H new ATOM 1358 N GLU A 91 -10.658 -7.179 -3.952 1.00 0.00 N ATOM 1359 CA GLU A 91 -10.125 -7.896 -2.756 1.00 0.00 C ATOM 1360 C GLU A 91 -8.758 -7.328 -2.369 1.00 0.00 C ATOM 1361 O GLU A 91 -7.975 -6.938 -3.212 1.00 0.00 O ATOM 1362 CB GLU A 91 -9.974 -9.381 -3.095 1.00 0.00 C ATOM 1363 CG GLU A 91 -11.359 -10.014 -3.247 1.00 0.00 C ATOM 1364 CD GLU A 91 -11.211 -11.492 -3.612 1.00 0.00 C ATOM 1365 OE1 GLU A 91 -10.098 -11.902 -3.900 1.00 0.00 O ATOM 1366 OE2 GLU A 91 -12.212 -12.189 -3.595 1.00 0.00 O ATOM 0 H GLU A 91 -10.783 -7.761 -4.780 1.00 0.00 H new ATOM 0 HA GLU A 91 -10.814 -7.767 -1.921 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.406 -9.498 -4.018 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.415 -9.889 -2.309 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.920 -9.913 -2.318 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.925 -9.493 -4.019 1.00 0.00 H new ATOM 1373 N VAL A 92 -8.464 -7.278 -1.095 1.00 0.00 N ATOM 1374 CA VAL A 92 -7.147 -6.735 -0.655 1.00 0.00 C ATOM 1375 C VAL A 92 -6.017 -7.562 -1.278 1.00 0.00 C ATOM 1376 O VAL A 92 -5.005 -7.032 -1.691 1.00 0.00 O ATOM 1377 CB VAL A 92 -7.048 -6.811 0.876 1.00 0.00 C ATOM 1378 CG1 VAL A 92 -5.616 -6.491 1.324 1.00 0.00 C ATOM 1379 CG2 VAL A 92 -8.012 -5.799 1.506 1.00 0.00 C ATOM 0 H VAL A 92 -9.079 -7.589 -0.343 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.058 -5.697 -0.976 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.311 -7.818 1.198 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.554 -6.547 2.411 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -4.927 -7.212 0.884 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.348 -5.486 0.996 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -7.940 -5.855 2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.750 -4.793 1.176 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.032 -6.028 1.198 1.00 0.00 H new ATOM 1389 N ALA A 93 -6.175 -8.856 -1.338 1.00 0.00 N ATOM 1390 CA ALA A 93 -5.101 -9.710 -1.921 1.00 0.00 C ATOM 1391 C ALA A 93 -4.694 -9.170 -3.295 1.00 0.00 C ATOM 1392 O ALA A 93 -3.527 -9.118 -3.628 1.00 0.00 O ATOM 1393 CB ALA A 93 -5.610 -11.144 -2.068 1.00 0.00 C ATOM 0 H ALA A 93 -7.000 -9.358 -1.009 1.00 0.00 H new ATOM 0 HA ALA A 93 -4.235 -9.696 -1.259 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -4.824 -11.767 -2.494 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -5.890 -11.533 -1.089 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -6.479 -11.156 -2.726 1.00 0.00 H new ATOM 1399 N GLN A 94 -5.641 -8.762 -4.094 1.00 0.00 N ATOM 1400 CA GLN A 94 -5.291 -8.227 -5.441 1.00 0.00 C ATOM 1401 C GLN A 94 -4.687 -6.836 -5.275 1.00 0.00 C ATOM 1402 O GLN A 94 -3.766 -6.454 -5.969 1.00 0.00 O ATOM 1403 CB GLN A 94 -6.553 -8.124 -6.300 1.00 0.00 C ATOM 1404 CG GLN A 94 -7.054 -9.524 -6.648 1.00 0.00 C ATOM 1405 CD GLN A 94 -8.319 -9.413 -7.502 1.00 0.00 C ATOM 1406 OE1 GLN A 94 -8.974 -8.391 -7.506 1.00 0.00 O ATOM 1407 NE2 GLN A 94 -8.695 -10.430 -8.227 1.00 0.00 N ATOM 0 H GLN A 94 -6.637 -8.775 -3.875 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.578 -8.894 -5.926 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -7.326 -7.574 -5.764 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.339 -7.566 -7.212 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -6.284 -10.074 -7.189 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -7.265 -10.084 -5.737 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -8.145 -11.289 -8.224 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -9.539 -10.366 -8.797 1.00 0.00 H new ATOM 1416 N PHE A 95 -5.207 -6.076 -4.356 1.00 0.00 N ATOM 1417 CA PHE A 95 -4.681 -4.705 -4.127 1.00 0.00 C ATOM 1418 C PHE A 95 -3.203 -4.764 -3.740 1.00 0.00 C ATOM 1419 O PHE A 95 -2.381 -4.058 -4.289 1.00 0.00 O ATOM 1420 CB PHE A 95 -5.464 -4.062 -2.987 1.00 0.00 C ATOM 1421 CG PHE A 95 -4.940 -2.673 -2.739 1.00 0.00 C ATOM 1422 CD1 PHE A 95 -3.872 -2.484 -1.856 1.00 0.00 C ATOM 1423 CD2 PHE A 95 -5.513 -1.577 -3.391 1.00 0.00 C ATOM 1424 CE1 PHE A 95 -3.376 -1.198 -1.622 1.00 0.00 C ATOM 1425 CE2 PHE A 95 -5.017 -0.290 -3.158 1.00 0.00 C ATOM 1426 CZ PHE A 95 -3.949 -0.101 -2.274 1.00 0.00 C ATOM 0 H PHE A 95 -5.980 -6.348 -3.749 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.788 -4.122 -5.042 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.524 -4.023 -3.237 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.371 -4.664 -2.083 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.430 -3.332 -1.354 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.337 -1.724 -4.073 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.552 -1.052 -0.939 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.458 0.558 -3.661 1.00 0.00 H new ATOM 0 HZ PHE A 95 -3.567 0.893 -2.095 1.00 0.00 H new ATOM 1436 N VAL A 96 -2.858 -5.587 -2.788 1.00 0.00 N ATOM 1437 CA VAL A 96 -1.434 -5.667 -2.359 1.00 0.00 C ATOM 1438 C VAL A 96 -0.565 -6.088 -3.543 1.00 0.00 C ATOM 1439 O VAL A 96 0.462 -5.499 -3.813 1.00 0.00 O ATOM 1440 CB VAL A 96 -1.288 -6.708 -1.246 1.00 0.00 C ATOM 1441 CG1 VAL A 96 0.183 -6.813 -0.838 1.00 0.00 C ATOM 1442 CG2 VAL A 96 -2.124 -6.295 -0.036 1.00 0.00 C ATOM 0 H VAL A 96 -3.499 -6.205 -2.290 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.118 -4.690 -1.995 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.637 -7.674 -1.610 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.289 -7.554 -0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.779 -7.115 -1.699 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.531 -5.845 -0.478 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.016 -7.040 0.752 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.781 -5.327 0.330 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.172 -6.223 -0.326 1.00 0.00 H new ATOM 1452 N LYS A 97 -0.958 -7.116 -4.239 1.00 0.00 N ATOM 1453 CA LYS A 97 -0.145 -7.588 -5.391 1.00 0.00 C ATOM 1454 C LYS A 97 -0.053 -6.500 -6.469 1.00 0.00 C ATOM 1455 O LYS A 97 1.004 -6.240 -7.003 1.00 0.00 O ATOM 1456 CB LYS A 97 -0.788 -8.845 -5.969 1.00 0.00 C ATOM 1457 CG LYS A 97 -0.610 -9.997 -4.972 1.00 0.00 C ATOM 1458 CD LYS A 97 -1.392 -11.231 -5.441 1.00 0.00 C ATOM 1459 CE LYS A 97 -0.611 -11.963 -6.536 1.00 0.00 C ATOM 1460 NZ LYS A 97 -1.308 -13.236 -6.874 1.00 0.00 N ATOM 0 H LYS A 97 -1.808 -7.650 -4.059 1.00 0.00 H new ATOM 0 HA LYS A 97 0.865 -7.813 -5.050 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.847 -8.673 -6.161 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.328 -9.099 -6.924 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.447 -10.243 -4.875 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.958 -9.691 -3.986 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.569 -11.901 -4.599 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.369 -10.930 -5.819 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.529 -11.334 -7.422 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.404 -12.170 -6.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.779 -13.735 -7.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.364 -13.837 -6.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.268 -13.026 -7.214 1.00 0.00 H new ATOM 1474 N ASP A 98 -1.136 -5.853 -6.801 1.00 0.00 N ATOM 1475 CA ASP A 98 -1.051 -4.793 -7.848 1.00 0.00 C ATOM 1476 C ASP A 98 -0.076 -3.709 -7.387 1.00 0.00 C ATOM 1477 O ASP A 98 0.724 -3.208 -8.152 1.00 0.00 O ATOM 1478 CB ASP A 98 -2.434 -4.176 -8.083 1.00 0.00 C ATOM 1479 CG ASP A 98 -3.327 -5.188 -8.804 1.00 0.00 C ATOM 1480 OD1 ASP A 98 -2.788 -6.103 -9.403 1.00 0.00 O ATOM 1481 OD2 ASP A 98 -4.535 -5.029 -8.745 1.00 0.00 O ATOM 0 H ASP A 98 -2.062 -6.007 -6.401 1.00 0.00 H new ATOM 0 HA ASP A 98 -0.698 -5.233 -8.780 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.883 -3.891 -7.132 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.342 -3.267 -8.677 1.00 0.00 H new ATOM 1486 N LEU A 99 -0.133 -3.354 -6.135 1.00 0.00 N ATOM 1487 CA LEU A 99 0.789 -2.314 -5.603 1.00 0.00 C ATOM 1488 C LEU A 99 2.232 -2.829 -5.687 1.00 0.00 C ATOM 1489 O LEU A 99 3.156 -2.087 -5.955 1.00 0.00 O ATOM 1490 CB LEU A 99 0.418 -2.015 -4.145 1.00 0.00 C ATOM 1491 CG LEU A 99 1.334 -0.928 -3.565 1.00 0.00 C ATOM 1492 CD1 LEU A 99 1.157 0.387 -4.347 1.00 0.00 C ATOM 1493 CD2 LEU A 99 0.965 -0.703 -2.092 1.00 0.00 C ATOM 0 H LEU A 99 -0.784 -3.743 -5.452 1.00 0.00 H new ATOM 0 HA LEU A 99 0.703 -1.399 -6.190 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.621 -1.691 -4.088 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.501 -2.924 -3.549 1.00 0.00 H new ATOM 0 HG LEU A 99 2.373 -1.247 -3.646 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.811 1.151 -3.927 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.413 0.225 -5.394 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.121 0.717 -4.274 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.610 0.068 -1.669 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.075 -0.385 -2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.098 -1.632 -1.538 1.00 0.00 H new ATOM 1505 N LEU A 100 2.426 -4.098 -5.439 1.00 0.00 N ATOM 1506 CA LEU A 100 3.802 -4.684 -5.476 1.00 0.00 C ATOM 1507 C LEU A 100 4.466 -4.430 -6.836 1.00 0.00 C ATOM 1508 O LEU A 100 5.618 -4.047 -6.901 1.00 0.00 O ATOM 1509 CB LEU A 100 3.708 -6.194 -5.205 1.00 0.00 C ATOM 1510 CG LEU A 100 5.062 -6.874 -5.444 1.00 0.00 C ATOM 1511 CD1 LEU A 100 6.150 -6.189 -4.609 1.00 0.00 C ATOM 1512 CD2 LEU A 100 4.958 -8.346 -5.039 1.00 0.00 C ATOM 0 H LEU A 100 1.685 -4.760 -5.210 1.00 0.00 H new ATOM 0 HA LEU A 100 4.415 -4.209 -4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.386 -6.365 -4.178 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.953 -6.638 -5.853 1.00 0.00 H new ATOM 0 HG LEU A 100 5.325 -6.796 -6.499 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.107 -6.679 -4.786 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.221 -5.140 -4.895 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.896 -6.260 -3.551 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.916 -8.838 -5.206 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.693 -8.415 -3.984 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.190 -8.835 -5.639 1.00 0.00 H new ATOM 1524 N LEU A 101 3.777 -4.642 -7.921 1.00 0.00 N ATOM 1525 CA LEU A 101 4.425 -4.408 -9.248 1.00 0.00 C ATOM 1526 C LEU A 101 4.868 -2.943 -9.360 1.00 0.00 C ATOM 1527 O LEU A 101 5.927 -2.648 -9.873 1.00 0.00 O ATOM 1528 CB LEU A 101 3.437 -4.743 -10.379 1.00 0.00 C ATOM 1529 CG LEU A 101 3.401 -6.263 -10.643 1.00 0.00 C ATOM 1530 CD1 LEU A 101 4.683 -6.724 -11.363 1.00 0.00 C ATOM 1531 CD2 LEU A 101 3.256 -7.021 -9.319 1.00 0.00 C ATOM 0 H LEU A 101 2.809 -4.962 -7.952 1.00 0.00 H new ATOM 0 HA LEU A 101 5.299 -5.053 -9.336 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.440 -4.392 -10.113 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.727 -4.218 -11.289 1.00 0.00 H new ATOM 0 HG LEU A 101 2.545 -6.478 -11.282 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.635 -7.799 -11.539 1.00 0.00 H new ATOM 0 HD12 LEU A 101 4.772 -6.204 -12.317 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.550 -6.496 -10.743 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.231 -8.093 -9.514 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.102 -6.789 -8.672 1.00 0.00 H new ATOM 0 HD23 LEU A 101 2.331 -6.721 -8.827 1.00 0.00 H new ATOM 1543 N HIS A 102 4.079 -2.023 -8.891 1.00 0.00 N ATOM 1544 CA HIS A 102 4.488 -0.592 -8.980 1.00 0.00 C ATOM 1545 C HIS A 102 5.654 -0.299 -8.030 1.00 0.00 C ATOM 1546 O HIS A 102 6.538 0.459 -8.353 1.00 0.00 O ATOM 1547 CB HIS A 102 3.299 0.319 -8.642 1.00 0.00 C ATOM 1548 CG HIS A 102 2.411 0.448 -9.847 1.00 0.00 C ATOM 1549 ND1 HIS A 102 2.590 1.453 -10.783 1.00 0.00 N ATOM 1550 CD2 HIS A 102 1.356 -0.299 -10.292 1.00 0.00 C ATOM 1551 CE1 HIS A 102 1.663 1.286 -11.740 1.00 0.00 C ATOM 1552 NE2 HIS A 102 0.881 0.231 -11.491 1.00 0.00 N ATOM 0 H HIS A 102 3.174 -2.194 -8.452 1.00 0.00 H new ATOM 0 HA HIS A 102 4.814 -0.393 -10.001 1.00 0.00 H new ATOM 0 HB2 HIS A 102 2.737 -0.094 -7.805 1.00 0.00 H new ATOM 0 HB3 HIS A 102 3.656 1.301 -8.333 1.00 0.00 H new ATOM 0 HD2 HIS A 102 0.952 -1.167 -9.791 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.562 1.925 -12.604 1.00 0.00 H new ATOM 0 HE2 HIS A 102 0.104 -0.112 -12.056 1.00 0.00 H new ATOM 1560 N LEU A 103 5.661 -0.859 -6.856 1.00 0.00 N ATOM 1561 CA LEU A 103 6.772 -0.544 -5.909 1.00 0.00 C ATOM 1562 C LEU A 103 8.125 -0.927 -6.526 1.00 0.00 C ATOM 1563 O LEU A 103 9.053 -0.143 -6.519 1.00 0.00 O ATOM 1564 CB LEU A 103 6.568 -1.308 -4.593 1.00 0.00 C ATOM 1565 CG LEU A 103 5.328 -0.775 -3.849 1.00 0.00 C ATOM 1566 CD1 LEU A 103 5.024 -1.691 -2.658 1.00 0.00 C ATOM 1567 CD2 LEU A 103 5.572 0.658 -3.337 1.00 0.00 C ATOM 0 H LEU A 103 4.958 -1.513 -6.511 1.00 0.00 H new ATOM 0 HA LEU A 103 6.767 0.527 -5.709 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.448 -2.372 -4.798 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.451 -1.202 -3.963 1.00 0.00 H new ATOM 0 HG LEU A 103 4.485 -0.760 -4.540 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.148 -1.319 -2.127 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.829 -2.702 -3.017 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.879 -1.704 -1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.684 1.014 -2.815 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.420 0.660 -2.653 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.785 1.315 -4.181 1.00 0.00 H new ATOM 1579 N LYS A 104 8.258 -2.108 -7.061 1.00 0.00 N ATOM 1580 CA LYS A 104 9.566 -2.495 -7.670 1.00 0.00 C ATOM 1581 C LYS A 104 9.828 -1.659 -8.933 1.00 0.00 C ATOM 1582 O LYS A 104 10.956 -1.495 -9.354 1.00 0.00 O ATOM 1583 CB LYS A 104 9.560 -3.988 -8.023 1.00 0.00 C ATOM 1584 CG LYS A 104 8.528 -4.264 -9.116 1.00 0.00 C ATOM 1585 CD LYS A 104 8.410 -5.778 -9.347 1.00 0.00 C ATOM 1586 CE LYS A 104 7.702 -6.455 -8.163 1.00 0.00 C ATOM 1587 NZ LYS A 104 7.035 -7.702 -8.636 1.00 0.00 N ATOM 0 H LYS A 104 7.527 -2.818 -7.104 1.00 0.00 H new ATOM 0 HA LYS A 104 10.360 -2.304 -6.948 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.550 -4.294 -8.361 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.329 -4.579 -7.136 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.560 -3.854 -8.827 1.00 0.00 H new ATOM 0 HG3 LYS A 104 8.822 -3.767 -10.041 1.00 0.00 H new ATOM 0 HD2 LYS A 104 7.855 -5.968 -10.266 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.402 -6.209 -9.478 1.00 0.00 H new ATOM 0 HE2 LYS A 104 8.422 -6.689 -7.379 1.00 0.00 H new ATOM 0 HE3 LYS A 104 6.967 -5.778 -7.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.042 -7.704 -8.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 7.074 -7.744 -9.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 7.523 -8.529 -8.238 1.00 0.00 H new ATOM 1601 N LYS A 105 8.794 -1.152 -9.553 1.00 0.00 N ATOM 1602 CA LYS A 105 8.982 -0.354 -10.804 1.00 0.00 C ATOM 1603 C LYS A 105 9.714 0.968 -10.519 1.00 0.00 C ATOM 1604 O LYS A 105 10.632 1.334 -11.227 1.00 0.00 O ATOM 1605 CB LYS A 105 7.610 -0.062 -11.421 1.00 0.00 C ATOM 1606 CG LYS A 105 7.782 0.726 -12.725 1.00 0.00 C ATOM 1607 CD LYS A 105 6.414 0.985 -13.356 1.00 0.00 C ATOM 1608 CE LYS A 105 6.603 1.735 -14.675 1.00 0.00 C ATOM 1609 NZ LYS A 105 5.287 1.897 -15.352 1.00 0.00 N ATOM 0 H LYS A 105 7.826 -1.256 -9.248 1.00 0.00 H new ATOM 0 HA LYS A 105 9.592 -0.933 -11.497 1.00 0.00 H new ATOM 0 HB2 LYS A 105 7.083 -0.996 -11.617 1.00 0.00 H new ATOM 0 HB3 LYS A 105 7.000 0.507 -10.720 1.00 0.00 H new ATOM 0 HG2 LYS A 105 8.286 1.672 -12.526 1.00 0.00 H new ATOM 0 HG3 LYS A 105 8.413 0.168 -13.417 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.896 0.042 -13.531 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.792 1.569 -12.678 1.00 0.00 H new ATOM 0 HE2 LYS A 105 7.050 2.712 -14.489 1.00 0.00 H new ATOM 0 HE3 LYS A 105 7.290 1.188 -15.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 5.418 2.407 -16.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 4.877 0.960 -15.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 4.645 2.437 -14.737 1.00 0.00 H new ATOM 1623 N LEU A 106 9.322 1.697 -9.508 1.00 0.00 N ATOM 1624 CA LEU A 106 10.013 2.994 -9.224 1.00 0.00 C ATOM 1625 C LEU A 106 11.498 2.734 -8.946 1.00 0.00 C ATOM 1626 O LEU A 106 12.342 3.567 -9.211 1.00 0.00 O ATOM 1627 CB LEU A 106 9.370 3.691 -8.009 1.00 0.00 C ATOM 1628 CG LEU A 106 8.078 4.441 -8.416 1.00 0.00 C ATOM 1629 CD1 LEU A 106 8.411 5.740 -9.169 1.00 0.00 C ATOM 1630 CD2 LEU A 106 7.205 3.554 -9.308 1.00 0.00 C ATOM 0 H LEU A 106 8.562 1.456 -8.871 1.00 0.00 H new ATOM 0 HA LEU A 106 9.913 3.644 -10.093 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.139 2.952 -7.242 1.00 0.00 H new ATOM 0 HB3 LEU A 106 10.079 4.393 -7.571 1.00 0.00 H new ATOM 0 HG LEU A 106 7.536 4.688 -7.503 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.487 6.248 -9.444 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.006 6.390 -8.527 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.977 5.503 -10.070 1.00 0.00 H new ATOM 0 HD21 LEU A 106 6.301 4.095 -9.586 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.758 3.286 -10.208 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.934 2.648 -8.766 1.00 0.00 H new ATOM 1642 N PHE A 107 11.825 1.592 -8.410 1.00 0.00 N ATOM 1643 CA PHE A 107 13.254 1.292 -8.112 1.00 0.00 C ATOM 1644 C PHE A 107 14.075 1.335 -9.401 1.00 0.00 C ATOM 1645 O PHE A 107 15.211 1.768 -9.410 1.00 0.00 O ATOM 1646 CB PHE A 107 13.384 -0.098 -7.490 1.00 0.00 C ATOM 1647 CG PHE A 107 14.828 -0.323 -7.119 1.00 0.00 C ATOM 1648 CD1 PHE A 107 15.341 0.252 -5.951 1.00 0.00 C ATOM 1649 CD2 PHE A 107 15.657 -1.094 -7.942 1.00 0.00 C ATOM 1650 CE1 PHE A 107 16.681 0.058 -5.605 1.00 0.00 C ATOM 1651 CE2 PHE A 107 16.999 -1.291 -7.595 1.00 0.00 C ATOM 1652 CZ PHE A 107 17.511 -0.714 -6.426 1.00 0.00 C ATOM 0 H PHE A 107 11.166 0.853 -8.165 1.00 0.00 H new ATOM 0 HA PHE A 107 13.625 2.041 -7.412 1.00 0.00 H new ATOM 0 HB2 PHE A 107 12.749 -0.179 -6.608 1.00 0.00 H new ATOM 0 HB3 PHE A 107 13.050 -0.861 -8.194 1.00 0.00 H new ATOM 0 HD1 PHE A 107 14.701 0.846 -5.316 1.00 0.00 H new ATOM 0 HD2 PHE A 107 15.262 -1.537 -8.844 1.00 0.00 H new ATOM 0 HE1 PHE A 107 17.076 0.504 -4.704 1.00 0.00 H new ATOM 0 HE2 PHE A 107 17.639 -1.887 -8.228 1.00 0.00 H new ATOM 0 HZ PHE A 107 18.546 -0.865 -6.158 1.00 0.00 H new ATOM 1662 N ARG A 108 13.522 0.872 -10.487 1.00 0.00 N ATOM 1663 CA ARG A 108 14.286 0.868 -11.766 1.00 0.00 C ATOM 1664 C ARG A 108 14.685 2.298 -12.145 1.00 0.00 C ATOM 1665 O ARG A 108 15.776 2.536 -12.622 1.00 0.00 O ATOM 1666 CB ARG A 108 13.421 0.275 -12.881 1.00 0.00 C ATOM 1667 CG ARG A 108 13.237 -1.225 -12.649 1.00 0.00 C ATOM 1668 CD ARG A 108 12.372 -1.811 -13.766 1.00 0.00 C ATOM 1669 NE ARG A 108 12.082 -3.240 -13.465 1.00 0.00 N ATOM 1670 CZ ARG A 108 11.163 -3.878 -14.137 1.00 0.00 C ATOM 1671 NH1 ARG A 108 10.515 -3.272 -15.095 1.00 0.00 N ATOM 1672 NH2 ARG A 108 10.896 -5.123 -13.855 1.00 0.00 N ATOM 0 H ARG A 108 12.575 0.497 -10.545 1.00 0.00 H new ATOM 0 HA ARG A 108 15.185 0.265 -11.637 1.00 0.00 H new ATOM 0 HB2 ARG A 108 12.451 0.771 -12.904 1.00 0.00 H new ATOM 0 HB3 ARG A 108 13.890 0.448 -13.849 1.00 0.00 H new ATOM 0 HG2 ARG A 108 14.207 -1.722 -12.627 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.767 -1.399 -11.681 1.00 0.00 H new ATOM 0 HD2 ARG A 108 11.442 -1.250 -13.854 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.887 -1.726 -14.723 1.00 0.00 H new ATOM 0 HE ARG A 108 12.603 -3.721 -12.732 1.00 0.00 H new ATOM 0 HH11 ARG A 108 10.727 -2.300 -15.318 1.00 0.00 H new ATOM 0 HH12 ARG A 108 9.797 -3.771 -15.620 1.00 0.00 H new ATOM 0 HH21 ARG A 108 11.405 -5.598 -13.110 1.00 0.00 H new ATOM 0 HH22 ARG A 108 10.178 -5.622 -14.380 1.00 0.00 H new ATOM 1686 N GLU A 109 13.815 3.251 -11.948 1.00 0.00 N ATOM 1687 CA GLU A 109 14.156 4.659 -12.311 1.00 0.00 C ATOM 1688 C GLU A 109 14.887 5.338 -11.146 1.00 0.00 C ATOM 1689 O GLU A 109 15.430 6.416 -11.292 1.00 0.00 O ATOM 1690 CB GLU A 109 12.866 5.426 -12.624 1.00 0.00 C ATOM 1691 CG GLU A 109 12.266 4.918 -13.942 1.00 0.00 C ATOM 1692 CD GLU A 109 11.628 3.544 -13.726 1.00 0.00 C ATOM 1693 OE1 GLU A 109 11.496 3.144 -12.581 1.00 0.00 O ATOM 1694 OE2 GLU A 109 11.273 2.917 -14.711 1.00 0.00 O ATOM 0 H GLU A 109 12.884 3.117 -11.552 1.00 0.00 H new ATOM 0 HA GLU A 109 14.806 4.659 -13.186 1.00 0.00 H new ATOM 0 HB2 GLU A 109 12.149 5.296 -11.813 1.00 0.00 H new ATOM 0 HB3 GLU A 109 13.075 6.493 -12.696 1.00 0.00 H new ATOM 0 HG2 GLU A 109 11.519 5.623 -14.307 1.00 0.00 H new ATOM 0 HG3 GLU A 109 13.042 4.853 -14.704 1.00 0.00 H new ATOM 1701 N GLY A 110 14.919 4.718 -9.997 1.00 0.00 N ATOM 1702 CA GLY A 110 15.628 5.332 -8.840 1.00 0.00 C ATOM 1703 C GLY A 110 14.918 6.620 -8.418 1.00 0.00 C ATOM 1704 O GLY A 110 15.444 7.405 -7.654 1.00 0.00 O ATOM 0 H GLY A 110 14.485 3.814 -9.811 1.00 0.00 H new ATOM 0 HA2 GLY A 110 15.655 4.631 -8.006 1.00 0.00 H new ATOM 0 HA3 GLY A 110 16.662 5.548 -9.109 1.00 0.00 H new ATOM 1708 N ARG A 111 13.723 6.844 -8.900 1.00 0.00 N ATOM 1709 CA ARG A 111 12.981 8.083 -8.513 1.00 0.00 C ATOM 1710 C ARG A 111 12.067 7.751 -7.336 1.00 0.00 C ATOM 1711 O ARG A 111 11.009 7.181 -7.498 1.00 0.00 O ATOM 1712 CB ARG A 111 12.135 8.567 -9.693 1.00 0.00 C ATOM 1713 CG ARG A 111 13.055 9.052 -10.816 1.00 0.00 C ATOM 1714 CD ARG A 111 12.207 9.535 -11.995 1.00 0.00 C ATOM 1715 NE ARG A 111 13.094 9.866 -13.146 1.00 0.00 N ATOM 1716 CZ ARG A 111 12.584 10.015 -14.340 1.00 0.00 C ATOM 1717 NH1 ARG A 111 11.299 9.880 -14.521 1.00 0.00 N ATOM 1718 NH2 ARG A 111 13.359 10.301 -15.351 1.00 0.00 N ATOM 0 H ARG A 111 13.229 6.225 -9.543 1.00 0.00 H new ATOM 0 HA ARG A 111 13.685 8.867 -8.235 1.00 0.00 H new ATOM 0 HB2 ARG A 111 11.498 7.759 -10.053 1.00 0.00 H new ATOM 0 HB3 ARG A 111 11.476 9.374 -9.374 1.00 0.00 H new ATOM 0 HG2 ARG A 111 13.691 9.861 -10.456 1.00 0.00 H new ATOM 0 HG3 ARG A 111 13.715 8.245 -11.135 1.00 0.00 H new ATOM 0 HD2 ARG A 111 11.493 8.763 -12.283 1.00 0.00 H new ATOM 0 HD3 ARG A 111 11.628 10.412 -11.705 1.00 0.00 H new ATOM 0 HE ARG A 111 14.098 9.976 -13.002 1.00 0.00 H new ATOM 0 HH11 ARG A 111 10.693 9.658 -13.731 1.00 0.00 H new ATOM 0 HH12 ARG A 111 10.900 9.996 -15.453 1.00 0.00 H new ATOM 0 HH21 ARG A 111 14.363 10.408 -15.209 1.00 0.00 H new ATOM 0 HH22 ARG A 111 12.960 10.417 -16.283 1.00 0.00 H new ATOM 1732 N PHE A 112 12.481 8.087 -6.147 1.00 0.00 N ATOM 1733 CA PHE A 112 11.655 7.777 -4.945 1.00 0.00 C ATOM 1734 C PHE A 112 10.789 8.984 -4.584 1.00 0.00 C ATOM 1735 O PHE A 112 11.241 10.112 -4.591 1.00 0.00 O ATOM 1736 CB PHE A 112 12.600 7.428 -3.798 1.00 0.00 C ATOM 1737 CG PHE A 112 13.488 6.301 -4.265 1.00 0.00 C ATOM 1738 CD1 PHE A 112 13.029 4.983 -4.207 1.00 0.00 C ATOM 1739 CD2 PHE A 112 14.759 6.578 -4.781 1.00 0.00 C ATOM 1740 CE1 PHE A 112 13.841 3.940 -4.664 1.00 0.00 C ATOM 1741 CE2 PHE A 112 15.573 5.534 -5.236 1.00 0.00 C ATOM 1742 CZ PHE A 112 15.113 4.214 -5.178 1.00 0.00 C ATOM 0 H PHE A 112 13.361 8.566 -5.954 1.00 0.00 H new ATOM 0 HA PHE A 112 10.991 6.936 -5.143 1.00 0.00 H new ATOM 0 HB2 PHE A 112 13.198 8.295 -3.517 1.00 0.00 H new ATOM 0 HB3 PHE A 112 12.036 7.130 -2.914 1.00 0.00 H new ATOM 0 HD1 PHE A 112 12.048 4.770 -3.810 1.00 0.00 H new ATOM 0 HD2 PHE A 112 15.112 7.598 -4.828 1.00 0.00 H new ATOM 0 HE1 PHE A 112 13.485 2.921 -4.620 1.00 0.00 H new ATOM 0 HE2 PHE A 112 16.555 5.747 -5.631 1.00 0.00 H new ATOM 0 HZ PHE A 112 15.739 3.407 -5.530 1.00 0.00 H new ATOM 1752 N ASN A 113 9.542 8.753 -4.276 1.00 0.00 N ATOM 1753 CA ASN A 113 8.637 9.882 -3.922 1.00 0.00 C ATOM 1754 C ASN A 113 8.748 10.978 -4.983 1.00 0.00 C ATOM 1755 CB ASN A 113 9.028 10.446 -2.556 1.00 0.00 C ATOM 1756 CG ASN A 113 8.629 9.451 -1.467 1.00 0.00 C ATOM 1757 OD1 ASN A 113 7.671 8.719 -1.621 1.00 0.00 O ATOM 1758 ND2 ASN A 113 9.327 9.389 -0.366 1.00 0.00 N ATOM 1759 OXT ASN A 113 9.525 11.897 -4.780 1.00 0.00 O ATOM 0 H ASN A 113 9.111 7.829 -4.254 1.00 0.00 H new ATOM 0 HA ASN A 113 7.609 9.522 -3.880 1.00 0.00 H new ATOM 0 HB2 ASN A 113 10.101 10.631 -2.520 1.00 0.00 H new ATOM 0 HB3 ASN A 113 8.533 11.403 -2.390 1.00 0.00 H new ATOM 0 HD21 ASN A 113 9.069 8.726 0.365 1.00 0.00 H new ATOM 0 HD22 ASN A 113 10.131 10.003 -0.237 1.00 0.00 H new