USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 610 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 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 84 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 38 THR OG1 : rot -88:sc= 0.324 USER MOD Set 2.2: A 39 LYS NZ :NH3+ -107:sc= 0.155 (180deg=0) USER MOD Set 3.1: A 35 CYS SG : rot -90:sc= 0.455 USER MOD Set 3.2: A 71 THR OG1 : rot 142:sc= 1.24 USER MOD Single : A 5 TYR OH : rot 180:sc= -0.396 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.029 X(o=-0.029,f=-0.029) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0127 USER MOD Single : A 16 GLN : amide:sc= -1.41 K(o=-1.4,f=-4.7) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0.309 X(o=0.31,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -140:sc= 0.595 (180deg=0.052) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 143:sc= -7.65! (180deg=-8.9!) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.625 K(o=-0.62,f=-0.11) USER MOD Single : A 53 THR OG1 : rot -160:sc= 0.677 USER MOD Single : A 58 GLN : amide:sc= -0.668 X(o=-0.67,f=-0.18) USER MOD Single : A 69 SER OG : rot 180:sc= -0.0121 USER MOD Single : A 80 MET CE :methyl -172:sc= -0.0577 (180deg=-0.185) USER MOD Single : A 81 MET CE :methyl 158:sc= -0.0194 (180deg=-0.264) USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 9.069 -5.604 -16.747 1.00 0.00 N ATOM 47 CA ILE A 4 7.742 -6.143 -16.426 1.00 0.00 C ATOM 48 C ILE A 4 6.659 -5.081 -16.649 1.00 0.00 C ATOM 49 O ILE A 4 5.499 -5.411 -16.895 1.00 0.00 O ATOM 50 CB ILE A 4 7.667 -6.659 -14.973 1.00 0.00 C ATOM 51 CG1 ILE A 4 7.566 -5.482 -13.977 1.00 0.00 C ATOM 52 CG2 ILE A 4 8.898 -7.517 -14.654 1.00 0.00 C ATOM 53 CD1 ILE A 4 8.919 -4.782 -13.811 1.00 0.00 C ATOM 0 HA ILE A 4 7.569 -6.985 -17.096 1.00 0.00 H new ATOM 0 HB ILE A 4 6.771 -7.271 -14.872 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.824 -4.766 -14.329 1.00 0.00 H new ATOM 0 HG13 ILE A 4 7.222 -5.848 -13.010 1.00 0.00 H new ATOM 0 HG21 ILE A 4 8.835 -7.876 -13.627 1.00 0.00 H new ATOM 0 HG22 ILE A 4 8.934 -8.368 -15.334 1.00 0.00 H new ATOM 0 HG23 ILE A 4 9.800 -6.918 -14.774 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.818 -3.958 -13.105 1.00 0.00 H new ATOM 0 HD12 ILE A 4 9.653 -5.494 -13.435 1.00 0.00 H new ATOM 0 HD13 ILE A 4 9.249 -4.395 -14.775 1.00 0.00 H new ATOM 65 N TYR A 5 7.056 -3.804 -16.570 1.00 0.00 N ATOM 66 CA TYR A 5 6.118 -2.696 -16.777 1.00 0.00 C ATOM 67 C TYR A 5 5.719 -2.611 -18.248 1.00 0.00 C ATOM 68 O TYR A 5 4.598 -2.220 -18.581 1.00 0.00 O ATOM 69 CB TYR A 5 6.756 -1.362 -16.370 1.00 0.00 C ATOM 70 CG TYR A 5 7.255 -1.443 -14.948 1.00 0.00 C ATOM 71 CD1 TYR A 5 6.344 -1.550 -13.893 1.00 0.00 C ATOM 72 CD2 TYR A 5 8.629 -1.417 -14.686 1.00 0.00 C ATOM 73 CE1 TYR A 5 6.806 -1.631 -12.575 1.00 0.00 C ATOM 74 CE2 TYR A 5 9.092 -1.497 -13.370 1.00 0.00 C ATOM 75 CZ TYR A 5 8.181 -1.605 -12.312 1.00 0.00 C ATOM 76 OH TYR A 5 8.638 -1.688 -11.014 1.00 0.00 O ATOM 0 H TYR A 5 8.013 -3.515 -16.366 1.00 0.00 H new ATOM 0 HA TYR A 5 5.239 -2.884 -16.160 1.00 0.00 H new ATOM 0 HB2 TYR A 5 7.581 -1.124 -17.041 1.00 0.00 H new ATOM 0 HB3 TYR A 5 6.027 -0.557 -16.463 1.00 0.00 H new ATOM 0 HD1 TYR A 5 5.283 -1.570 -14.096 1.00 0.00 H new ATOM 0 HD2 TYR A 5 9.332 -1.335 -15.501 1.00 0.00 H new ATOM 0 HE1 TYR A 5 6.102 -1.714 -11.760 1.00 0.00 H new ATOM 0 HE2 TYR A 5 10.153 -1.476 -13.169 1.00 0.00 H new ATOM 0 HH TYR A 5 9.617 -1.657 -11.009 1.00 0.00 H new ATOM 86 N LYS A 6 6.657 -2.984 -19.124 1.00 0.00 N ATOM 87 CA LYS A 6 6.413 -2.954 -20.571 1.00 0.00 C ATOM 88 C LYS A 6 5.546 -4.137 -20.980 1.00 0.00 C ATOM 89 O LYS A 6 4.642 -4.006 -21.808 1.00 0.00 O ATOM 90 CB LYS A 6 7.735 -3.011 -21.353 1.00 0.00 C ATOM 91 CG LYS A 6 8.771 -2.065 -20.727 1.00 0.00 C ATOM 92 CD LYS A 6 8.120 -0.715 -20.411 1.00 0.00 C ATOM 93 CE LYS A 6 9.073 0.128 -19.558 1.00 0.00 C ATOM 94 NZ LYS A 6 8.789 1.576 -19.772 1.00 0.00 N ATOM 0 H LYS A 6 7.587 -3.309 -18.860 1.00 0.00 H new ATOM 0 HA LYS A 6 5.902 -2.020 -20.804 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.120 -4.031 -21.355 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.562 -2.733 -22.393 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.175 -2.506 -19.816 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.608 -1.924 -21.411 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.882 -0.189 -21.336 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.180 -0.868 -19.881 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.954 -0.124 -18.504 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.107 -0.093 -19.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.437 2.146 -19.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.924 1.812 -20.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.807 1.781 -19.498 1.00 0.00 H new ATOM 108 N ALA A 7 5.825 -5.290 -20.376 1.00 0.00 N ATOM 109 CA ALA A 7 5.057 -6.502 -20.663 1.00 0.00 C ATOM 110 C ALA A 7 3.672 -6.426 -20.012 1.00 0.00 C ATOM 111 O ALA A 7 2.720 -7.053 -20.481 1.00 0.00 O ATOM 112 CB ALA A 7 5.793 -7.734 -20.133 1.00 0.00 C ATOM 0 H ALA A 7 6.570 -5.412 -19.690 1.00 0.00 H new ATOM 0 HA ALA A 7 4.943 -6.583 -21.744 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.210 -8.629 -20.353 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.769 -7.809 -20.613 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.925 -7.643 -19.055 1.00 0.00 H new ATOM 118 N ALA A 8 3.575 -5.654 -18.922 1.00 0.00 N ATOM 119 CA ALA A 8 2.310 -5.502 -18.203 1.00 0.00 C ATOM 120 C ALA A 8 1.441 -4.395 -18.803 1.00 0.00 C ATOM 121 O ALA A 8 0.218 -4.457 -18.708 1.00 0.00 O ATOM 122 CB ALA A 8 2.569 -5.175 -16.733 1.00 0.00 C ATOM 0 H ALA A 8 4.354 -5.129 -18.523 1.00 0.00 H new ATOM 0 HA ALA A 8 1.780 -6.450 -18.292 1.00 0.00 H new ATOM 0 HB1 ALA A 8 1.618 -5.065 -16.212 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.142 -5.982 -16.276 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.132 -4.244 -16.661 1.00 0.00 H new ATOM 128 N VAL A 9 2.074 -3.377 -19.409 1.00 0.00 N ATOM 129 CA VAL A 9 1.319 -2.263 -20.001 1.00 0.00 C ATOM 130 C VAL A 9 0.279 -2.766 -21.015 1.00 0.00 C ATOM 131 O VAL A 9 -0.805 -2.192 -21.138 1.00 0.00 O ATOM 132 CB VAL A 9 2.265 -1.253 -20.675 1.00 0.00 C ATOM 133 CG1 VAL A 9 2.671 -1.738 -22.071 1.00 0.00 C ATOM 134 CG2 VAL A 9 1.558 0.101 -20.794 1.00 0.00 C ATOM 0 H VAL A 9 3.087 -3.303 -19.501 1.00 0.00 H new ATOM 0 HA VAL A 9 0.792 -1.762 -19.189 1.00 0.00 H new ATOM 0 HB VAL A 9 3.163 -1.155 -20.065 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.340 -1.009 -22.529 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.182 -2.697 -21.989 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.781 -1.853 -22.689 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.225 0.819 -21.271 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.656 -0.011 -21.395 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.289 0.460 -19.800 1.00 0.00 H new ATOM 144 N GLU A 10 0.616 -3.848 -21.726 1.00 0.00 N ATOM 145 CA GLU A 10 -0.301 -4.423 -22.715 1.00 0.00 C ATOM 146 C GLU A 10 -1.424 -5.214 -22.030 1.00 0.00 C ATOM 147 O GLU A 10 -2.480 -5.444 -22.622 1.00 0.00 O ATOM 148 CB GLU A 10 0.452 -5.359 -23.665 1.00 0.00 C ATOM 149 CG GLU A 10 1.448 -4.550 -24.503 1.00 0.00 C ATOM 150 CD GLU A 10 1.764 -5.306 -25.791 1.00 0.00 C ATOM 151 OE1 GLU A 10 2.680 -6.112 -25.772 1.00 0.00 O ATOM 152 OE2 GLU A 10 1.084 -5.068 -26.775 1.00 0.00 O ATOM 0 H GLU A 10 1.506 -4.338 -21.637 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.735 -3.597 -23.278 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.979 -6.125 -23.095 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.253 -5.875 -24.317 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.031 -3.570 -24.737 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.363 -4.380 -23.935 1.00 0.00 H new ATOM 159 N GLN A 11 -1.183 -5.630 -20.780 1.00 0.00 N ATOM 160 CA GLN A 11 -2.177 -6.399 -20.026 1.00 0.00 C ATOM 161 C GLN A 11 -3.093 -5.477 -19.215 1.00 0.00 C ATOM 162 O GLN A 11 -4.234 -5.835 -18.918 1.00 0.00 O ATOM 163 CB GLN A 11 -1.487 -7.377 -19.066 1.00 0.00 C ATOM 164 CG GLN A 11 -0.436 -8.202 -19.821 1.00 0.00 C ATOM 165 CD GLN A 11 -1.122 -9.112 -20.838 1.00 0.00 C ATOM 166 OE1 GLN A 11 -1.690 -10.141 -20.475 1.00 0.00 O ATOM 167 NE2 GLN A 11 -1.103 -8.790 -22.105 1.00 0.00 N ATOM 0 H GLN A 11 -0.316 -5.448 -20.274 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.776 -6.952 -20.750 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.014 -6.827 -18.252 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.226 -8.039 -18.616 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.264 -7.538 -20.328 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.144 -8.800 -19.118 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.632 -7.937 -22.407 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.559 -9.392 -22.791 1.00 0.00 H new ATOM 176 N LEU A 12 -2.580 -4.292 -18.855 1.00 0.00 N ATOM 177 CA LEU A 12 -3.359 -3.327 -18.072 1.00 0.00 C ATOM 178 C LEU A 12 -4.666 -2.986 -18.788 1.00 0.00 C ATOM 179 O LEU A 12 -4.664 -2.344 -19.841 1.00 0.00 O ATOM 180 CB LEU A 12 -2.562 -2.035 -17.845 1.00 0.00 C ATOM 181 CG LEU A 12 -1.173 -2.204 -17.213 1.00 0.00 C ATOM 182 CD1 LEU A 12 -0.742 -0.885 -16.567 1.00 0.00 C ATOM 183 CD2 LEU A 12 -1.214 -3.303 -16.144 1.00 0.00 C ATOM 0 H LEU A 12 -1.637 -3.982 -19.092 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.579 -3.786 -17.108 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.444 -1.531 -18.804 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.151 -1.375 -17.208 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.460 -2.484 -17.989 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.244 -1.005 -16.118 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.703 -0.104 -17.326 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.460 -0.606 -15.796 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.225 -3.416 -15.701 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.930 -3.030 -15.369 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.517 -4.245 -16.602 1.00 0.00 H new ATOM 195 N THR A 13 -5.777 -3.435 -18.204 1.00 0.00 N ATOM 196 CA THR A 13 -7.097 -3.187 -18.788 1.00 0.00 C ATOM 197 C THR A 13 -7.883 -2.189 -17.943 1.00 0.00 C ATOM 198 O THR A 13 -7.485 -1.843 -16.829 1.00 0.00 O ATOM 199 CB THR A 13 -7.907 -4.491 -18.888 1.00 0.00 C ATOM 200 OG1 THR A 13 -7.436 -5.432 -17.929 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.764 -5.077 -20.292 1.00 0.00 C ATOM 0 H THR A 13 -5.791 -3.968 -17.334 1.00 0.00 H new ATOM 0 HA THR A 13 -6.939 -2.779 -19.786 1.00 0.00 H new ATOM 0 HB THR A 13 -8.956 -4.274 -18.689 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.958 -6.259 -17.998 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.338 -6.001 -20.361 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.138 -4.362 -21.025 1.00 0.00 H new ATOM 0 HG23 THR A 13 -6.714 -5.287 -20.493 1.00 0.00 H new ATOM 209 N ASP A 14 -9.018 -1.745 -18.486 1.00 0.00 N ATOM 210 CA ASP A 14 -9.882 -0.799 -17.779 1.00 0.00 C ATOM 211 C ASP A 14 -10.355 -1.401 -16.456 1.00 0.00 C ATOM 212 O ASP A 14 -10.578 -0.684 -15.483 1.00 0.00 O ATOM 213 CB ASP A 14 -11.106 -0.450 -18.629 1.00 0.00 C ATOM 214 CG ASP A 14 -10.671 0.357 -19.850 1.00 0.00 C ATOM 215 OD1 ASP A 14 -10.629 1.572 -19.747 1.00 0.00 O ATOM 216 OD2 ASP A 14 -10.386 -0.252 -20.869 1.00 0.00 O ATOM 0 H ASP A 14 -9.358 -2.023 -19.406 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.305 0.105 -17.586 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.613 -1.362 -18.945 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.820 0.123 -18.038 1.00 0.00 H new ATOM 221 N GLU A 15 -10.500 -2.732 -16.436 1.00 0.00 N ATOM 222 CA GLU A 15 -10.943 -3.439 -15.233 1.00 0.00 C ATOM 223 C GLU A 15 -9.925 -3.288 -14.101 1.00 0.00 C ATOM 224 O GLU A 15 -10.285 -2.925 -12.981 1.00 0.00 O ATOM 225 CB GLU A 15 -11.133 -4.929 -15.527 1.00 0.00 C ATOM 226 CG GLU A 15 -12.446 -5.143 -16.287 1.00 0.00 C ATOM 227 CD GLU A 15 -12.330 -6.385 -17.167 1.00 0.00 C ATOM 228 OE1 GLU A 15 -12.649 -7.460 -16.685 1.00 0.00 O ATOM 229 OE2 GLU A 15 -11.920 -6.243 -18.308 1.00 0.00 O ATOM 0 H GLU A 15 -10.317 -3.337 -17.237 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.891 -2.999 -14.925 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.296 -5.303 -16.116 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.145 -5.495 -14.595 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.271 -5.259 -15.584 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.670 -4.270 -16.900 1.00 0.00 H new ATOM 236 N GLN A 16 -8.650 -3.571 -14.403 1.00 0.00 N ATOM 237 CA GLN A 16 -7.588 -3.465 -13.394 1.00 0.00 C ATOM 238 C GLN A 16 -7.458 -2.026 -12.882 1.00 0.00 C ATOM 239 O GLN A 16 -7.151 -1.802 -11.710 1.00 0.00 O ATOM 240 CB GLN A 16 -6.238 -3.961 -13.958 1.00 0.00 C ATOM 241 CG GLN A 16 -5.479 -2.833 -14.676 1.00 0.00 C ATOM 242 CD GLN A 16 -4.459 -2.209 -13.723 1.00 0.00 C ATOM 243 OE1 GLN A 16 -4.652 -1.092 -13.241 1.00 0.00 O ATOM 244 NE2 GLN A 16 -3.372 -2.868 -13.421 1.00 0.00 N ATOM 0 H GLN A 16 -8.332 -3.871 -15.325 1.00 0.00 H new ATOM 0 HA GLN A 16 -7.864 -4.103 -12.554 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.626 -4.354 -13.146 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.412 -4.783 -14.652 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.974 -3.226 -15.558 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.180 -2.073 -15.022 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.209 -3.793 -13.819 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.686 -2.457 -12.788 1.00 0.00 H new ATOM 253 N LYS A 17 -7.708 -1.055 -13.768 1.00 0.00 N ATOM 254 CA LYS A 17 -7.626 0.356 -13.389 1.00 0.00 C ATOM 255 C LYS A 17 -8.891 0.787 -12.643 1.00 0.00 C ATOM 256 O LYS A 17 -8.844 1.679 -11.800 1.00 0.00 O ATOM 257 CB LYS A 17 -7.441 1.240 -14.626 1.00 0.00 C ATOM 258 CG LYS A 17 -5.950 1.547 -14.815 1.00 0.00 C ATOM 259 CD LYS A 17 -5.377 0.672 -15.934 1.00 0.00 C ATOM 260 CE LYS A 17 -5.496 1.405 -17.273 1.00 0.00 C ATOM 261 NZ LYS A 17 -4.241 2.168 -17.540 1.00 0.00 N ATOM 0 H LYS A 17 -7.966 -1.220 -14.741 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.764 0.475 -12.733 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.834 0.736 -15.509 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.003 2.167 -14.511 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.815 2.601 -15.059 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.411 1.364 -13.886 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.333 0.438 -15.728 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.913 -0.276 -15.978 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.676 0.690 -18.076 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.349 2.084 -17.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.324 2.665 -18.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.087 2.861 -16.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.436 1.510 -17.577 1.00 0.00 H new ATOM 275 N ASN A 18 -10.019 0.136 -12.956 1.00 0.00 N ATOM 276 CA ASN A 18 -11.290 0.453 -12.300 1.00 0.00 C ATOM 277 C ASN A 18 -11.242 0.041 -10.828 1.00 0.00 C ATOM 278 O ASN A 18 -11.665 0.795 -9.950 1.00 0.00 O ATOM 279 CB ASN A 18 -12.451 -0.273 -12.990 1.00 0.00 C ATOM 280 CG ASN A 18 -13.252 0.723 -13.825 1.00 0.00 C ATOM 281 OD1 ASN A 18 -14.406 1.018 -13.510 1.00 0.00 O ATOM 282 ND2 ASN A 18 -12.706 1.266 -14.880 1.00 0.00 N ATOM 0 H ASN A 18 -10.076 -0.606 -13.653 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.449 1.529 -12.373 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.068 -1.071 -13.626 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -13.095 -0.740 -12.245 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -13.235 1.933 -15.442 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -11.751 1.023 -15.142 1.00 0.00 H new ATOM 289 N GLU A 19 -10.707 -1.158 -10.571 1.00 0.00 N ATOM 290 CA GLU A 19 -10.585 -1.662 -9.198 1.00 0.00 C ATOM 291 C GLU A 19 -9.588 -0.808 -8.421 1.00 0.00 C ATOM 292 O GLU A 19 -9.843 -0.410 -7.283 1.00 0.00 O ATOM 293 CB GLU A 19 -10.097 -3.116 -9.187 1.00 0.00 C ATOM 294 CG GLU A 19 -11.041 -3.988 -10.017 1.00 0.00 C ATOM 295 CD GLU A 19 -10.349 -5.303 -10.363 1.00 0.00 C ATOM 296 OE1 GLU A 19 -10.428 -6.220 -9.562 1.00 0.00 O ATOM 297 OE2 GLU A 19 -9.749 -5.373 -11.424 1.00 0.00 O ATOM 0 H GLU A 19 -10.355 -1.792 -11.288 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.570 -1.612 -8.734 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.086 -3.173 -9.591 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.052 -3.486 -8.163 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -11.957 -4.183 -9.460 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.328 -3.465 -10.929 1.00 0.00 H new ATOM 304 N PHE A 20 -8.449 -0.532 -9.063 1.00 0.00 N ATOM 305 CA PHE A 20 -7.397 0.284 -8.450 1.00 0.00 C ATOM 306 C PHE A 20 -7.900 1.703 -8.175 1.00 0.00 C ATOM 307 O PHE A 20 -7.642 2.269 -7.114 1.00 0.00 O ATOM 308 CB PHE A 20 -6.177 0.369 -9.380 1.00 0.00 C ATOM 309 CG PHE A 20 -5.311 -0.870 -9.258 1.00 0.00 C ATOM 310 CD1 PHE A 20 -5.750 -1.993 -8.540 1.00 0.00 C ATOM 311 CD2 PHE A 20 -4.056 -0.887 -9.874 1.00 0.00 C ATOM 312 CE1 PHE A 20 -4.933 -3.123 -8.442 1.00 0.00 C ATOM 313 CE2 PHE A 20 -3.241 -2.017 -9.775 1.00 0.00 C ATOM 314 CZ PHE A 20 -3.679 -3.135 -9.058 1.00 0.00 C ATOM 0 H PHE A 20 -8.232 -0.860 -10.004 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.116 -0.190 -7.510 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.509 0.484 -10.412 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.589 1.253 -9.134 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -6.719 -1.984 -8.063 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.716 -0.024 -10.428 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.271 -3.987 -7.890 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.272 -2.027 -10.252 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.048 -4.008 -8.980 1.00 0.00 H new ATOM 324 N LYS A 21 -8.621 2.266 -9.151 1.00 0.00 N ATOM 325 CA LYS A 21 -9.163 3.623 -9.025 1.00 0.00 C ATOM 326 C LYS A 21 -10.207 3.687 -7.910 1.00 0.00 C ATOM 327 O LYS A 21 -10.222 4.630 -7.119 1.00 0.00 O ATOM 328 CB LYS A 21 -9.800 4.070 -10.347 1.00 0.00 C ATOM 329 CG LYS A 21 -10.171 5.556 -10.279 1.00 0.00 C ATOM 330 CD LYS A 21 -8.916 6.394 -10.009 1.00 0.00 C ATOM 331 CE LYS A 21 -9.019 7.732 -10.750 1.00 0.00 C ATOM 332 NZ LYS A 21 -9.773 8.714 -9.916 1.00 0.00 N ATOM 0 H LYS A 21 -8.842 1.805 -10.034 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.339 4.292 -8.778 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.106 3.898 -11.170 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.690 3.474 -10.550 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.633 5.868 -11.216 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.906 5.721 -9.491 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.806 6.568 -8.939 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.028 5.853 -10.337 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.022 8.115 -10.968 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.522 7.591 -11.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.405 9.273 -10.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.337 8.205 -9.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.103 9.349 -9.437 1.00 0.00 H new ATOM 346 N ALA A 22 -11.072 2.670 -7.850 1.00 0.00 N ATOM 347 CA ALA A 22 -12.110 2.620 -6.818 1.00 0.00 C ATOM 348 C ALA A 22 -11.472 2.476 -5.435 1.00 0.00 C ATOM 349 O ALA A 22 -11.862 3.158 -4.488 1.00 0.00 O ATOM 350 CB ALA A 22 -13.055 1.442 -7.057 1.00 0.00 C ATOM 0 H ALA A 22 -11.075 1.880 -8.495 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.678 3.549 -6.866 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.818 1.424 -6.279 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.532 1.550 -8.031 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.489 0.511 -7.032 1.00 0.00 H new ATOM 356 N ALA A 23 -10.473 1.592 -5.344 1.00 0.00 N ATOM 357 CA ALA A 23 -9.761 1.371 -4.081 1.00 0.00 C ATOM 358 C ALA A 23 -8.957 2.617 -3.691 1.00 0.00 C ATOM 359 O ALA A 23 -8.629 2.817 -2.520 1.00 0.00 O ATOM 360 CB ALA A 23 -8.803 0.184 -4.205 1.00 0.00 C ATOM 0 H ALA A 23 -10.141 1.022 -6.122 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.504 1.161 -3.312 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.284 0.035 -3.258 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.367 -0.715 -4.454 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.075 0.385 -4.991 1.00 0.00 H new ATOM 366 N PHE A 24 -8.649 3.452 -4.690 1.00 0.00 N ATOM 367 CA PHE A 24 -7.894 4.678 -4.455 1.00 0.00 C ATOM 368 C PHE A 24 -8.831 5.800 -4.001 1.00 0.00 C ATOM 369 O PHE A 24 -8.610 6.419 -2.963 1.00 0.00 O ATOM 370 CB PHE A 24 -7.176 5.109 -5.744 1.00 0.00 C ATOM 371 CG PHE A 24 -5.974 5.965 -5.413 1.00 0.00 C ATOM 372 CD1 PHE A 24 -4.732 5.366 -5.171 1.00 0.00 C ATOM 373 CD2 PHE A 24 -6.100 7.360 -5.355 1.00 0.00 C ATOM 374 CE1 PHE A 24 -3.619 6.159 -4.869 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.986 8.151 -5.055 1.00 0.00 C ATOM 376 CZ PHE A 24 -3.746 7.551 -4.811 1.00 0.00 C ATOM 0 H PHE A 24 -8.912 3.298 -5.663 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.158 4.486 -3.674 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.861 4.229 -6.305 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.863 5.665 -6.382 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.633 4.292 -5.217 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -7.057 7.824 -5.542 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.662 5.696 -4.681 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.083 9.226 -5.012 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.887 8.162 -4.578 1.00 0.00 H new ATOM 386 N ASP A 25 -9.875 6.055 -4.799 1.00 0.00 N ATOM 387 CA ASP A 25 -10.839 7.120 -4.495 1.00 0.00 C ATOM 388 C ASP A 25 -11.486 6.958 -3.118 1.00 0.00 C ATOM 389 O ASP A 25 -11.713 7.951 -2.425 1.00 0.00 O ATOM 390 CB ASP A 25 -11.948 7.167 -5.551 1.00 0.00 C ATOM 391 CG ASP A 25 -11.447 7.891 -6.798 1.00 0.00 C ATOM 392 OD1 ASP A 25 -11.104 9.059 -6.690 1.00 0.00 O ATOM 393 OD2 ASP A 25 -11.418 7.269 -7.845 1.00 0.00 O ATOM 0 H ASP A 25 -10.074 5.541 -5.657 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.270 8.050 -4.499 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.260 6.155 -5.808 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.823 7.678 -5.150 1.00 0.00 H new ATOM 398 N ILE A 26 -11.789 5.714 -2.721 1.00 0.00 N ATOM 399 CA ILE A 26 -12.413 5.483 -1.409 1.00 0.00 C ATOM 400 C ILE A 26 -11.565 6.108 -0.295 1.00 0.00 C ATOM 401 O ILE A 26 -12.096 6.620 0.692 1.00 0.00 O ATOM 402 CB ILE A 26 -12.594 3.984 -1.130 1.00 0.00 C ATOM 403 CG1 ILE A 26 -11.263 3.251 -1.335 1.00 0.00 C ATOM 404 CG2 ILE A 26 -13.650 3.415 -2.081 1.00 0.00 C ATOM 405 CD1 ILE A 26 -11.428 1.770 -0.998 1.00 0.00 C ATOM 0 H ILE A 26 -11.618 4.873 -3.272 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.396 5.954 -1.428 1.00 0.00 H new ATOM 0 HB ILE A 26 -12.920 3.845 -0.099 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.931 3.363 -2.367 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.493 3.693 -0.703 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -13.780 2.351 -1.885 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -14.597 3.932 -1.924 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -13.326 3.557 -3.112 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -10.479 1.255 -1.146 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -11.739 1.666 0.041 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.184 1.331 -1.649 1.00 0.00 H new ATOM 417 N PHE A 27 -10.241 6.074 -0.481 1.00 0.00 N ATOM 418 CA PHE A 27 -9.315 6.653 0.494 1.00 0.00 C ATOM 419 C PHE A 27 -9.103 8.146 0.217 1.00 0.00 C ATOM 420 O PHE A 27 -8.885 8.932 1.141 1.00 0.00 O ATOM 421 CB PHE A 27 -7.959 5.943 0.436 1.00 0.00 C ATOM 422 CG PHE A 27 -7.968 4.756 1.371 1.00 0.00 C ATOM 423 CD1 PHE A 27 -8.497 3.532 0.942 1.00 0.00 C ATOM 424 CD2 PHE A 27 -7.449 4.878 2.665 1.00 0.00 C ATOM 425 CE1 PHE A 27 -8.507 2.432 1.807 1.00 0.00 C ATOM 426 CE2 PHE A 27 -7.458 3.777 3.530 1.00 0.00 C ATOM 427 CZ PHE A 27 -7.988 2.555 3.100 1.00 0.00 C ATOM 0 H PHE A 27 -9.790 5.654 -1.294 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.753 6.525 1.484 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.752 5.615 -0.583 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.163 6.633 0.716 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.897 3.437 -0.057 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.041 5.822 2.996 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -8.915 1.488 1.476 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.056 3.871 4.528 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.996 1.706 3.767 1.00 0.00 H new ATOM 437 N ILE A 28 -9.166 8.526 -1.068 1.00 0.00 N ATOM 438 CA ILE A 28 -8.976 9.927 -1.463 1.00 0.00 C ATOM 439 C ILE A 28 -10.327 10.648 -1.574 1.00 0.00 C ATOM 440 O ILE A 28 -10.535 11.477 -2.464 1.00 0.00 O ATOM 441 CB ILE A 28 -8.241 10.015 -2.816 1.00 0.00 C ATOM 442 CG1 ILE A 28 -7.071 9.023 -2.869 1.00 0.00 C ATOM 443 CG2 ILE A 28 -7.691 11.425 -3.026 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.349 8.961 -1.518 1.00 0.00 C ATOM 0 H ILE A 28 -9.345 7.889 -1.844 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.374 10.410 -0.694 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.958 9.771 -3.600 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.440 8.032 -3.135 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.370 9.322 -3.648 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.174 11.475 -3.984 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.513 12.141 -3.019 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.993 11.666 -2.224 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.524 8.252 -1.579 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.961 9.948 -1.267 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.048 8.639 -0.746 1.00 0.00 H new ATOM 456 N GLN A 29 -11.241 10.333 -0.651 1.00 0.00 N ATOM 457 CA GLN A 29 -12.564 10.968 -0.649 1.00 0.00 C ATOM 458 C GLN A 29 -12.443 12.441 -0.248 1.00 0.00 C ATOM 459 O GLN A 29 -13.140 13.301 -0.789 1.00 0.00 O ATOM 460 CB GLN A 29 -13.532 10.254 0.310 1.00 0.00 C ATOM 461 CG GLN A 29 -12.863 10.006 1.668 1.00 0.00 C ATOM 462 CD GLN A 29 -13.927 9.698 2.718 1.00 0.00 C ATOM 463 OE1 GLN A 29 -14.674 8.727 2.588 1.00 0.00 O ATOM 464 NE2 GLN A 29 -14.041 10.473 3.763 1.00 0.00 N ATOM 0 H GLN A 29 -11.094 9.653 0.094 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.966 10.894 -1.660 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.429 10.858 0.446 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.849 9.306 -0.124 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.162 9.175 1.592 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.287 10.882 1.966 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.423 11.277 3.871 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.748 10.274 4.471 1.00 0.00 H new ATOM 473 N ASP A 30 -11.537 12.717 0.698 1.00 0.00 N ATOM 474 CA ASP A 30 -11.308 14.084 1.167 1.00 0.00 C ATOM 475 C ASP A 30 -9.857 14.244 1.641 1.00 0.00 C ATOM 476 O ASP A 30 -9.589 14.881 2.663 1.00 0.00 O ATOM 477 CB ASP A 30 -12.264 14.422 2.321 1.00 0.00 C ATOM 478 CG ASP A 30 -13.660 14.716 1.774 1.00 0.00 C ATOM 479 OD1 ASP A 30 -13.854 15.802 1.251 1.00 0.00 O ATOM 480 OD2 ASP A 30 -14.513 13.850 1.886 1.00 0.00 O ATOM 0 H ASP A 30 -10.954 12.013 1.151 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.495 14.767 0.339 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.308 13.590 3.024 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.891 15.285 2.872 1.00 0.00 H new ATOM 485 N ALA A 31 -8.919 13.656 0.884 1.00 0.00 N ATOM 486 CA ALA A 31 -7.499 13.734 1.234 1.00 0.00 C ATOM 487 C ALA A 31 -6.982 15.167 1.099 1.00 0.00 C ATOM 488 O ALA A 31 -7.480 15.950 0.286 1.00 0.00 O ATOM 489 CB ALA A 31 -6.670 12.823 0.327 1.00 0.00 C ATOM 0 H ALA A 31 -9.118 13.127 0.035 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.398 13.410 2.270 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.618 12.895 0.603 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.006 11.792 0.442 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.795 13.132 -0.711 1.00 0.00 H new ATOM 495 N GLU A 32 -5.977 15.493 1.912 1.00 0.00 N ATOM 496 CA GLU A 32 -5.385 16.835 1.895 1.00 0.00 C ATOM 497 C GLU A 32 -4.577 17.074 0.615 1.00 0.00 C ATOM 498 O GLU A 32 -4.586 18.176 0.065 1.00 0.00 O ATOM 499 CB GLU A 32 -4.478 17.045 3.118 1.00 0.00 C ATOM 500 CG GLU A 32 -3.319 16.037 3.109 1.00 0.00 C ATOM 501 CD GLU A 32 -2.966 15.648 4.541 1.00 0.00 C ATOM 502 OE1 GLU A 32 -2.174 16.350 5.146 1.00 0.00 O ATOM 503 OE2 GLU A 32 -3.494 14.652 5.010 1.00 0.00 O ATOM 0 H GLU A 32 -5.557 14.853 2.586 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.206 17.551 1.927 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.084 18.061 3.115 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.059 16.931 4.033 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.599 15.151 2.540 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.450 16.472 2.615 1.00 0.00 H new ATOM 510 N ASP A 33 -3.884 16.031 0.147 1.00 0.00 N ATOM 511 CA ASP A 33 -3.078 16.140 -1.070 1.00 0.00 C ATOM 512 C ASP A 33 -3.741 15.385 -2.227 1.00 0.00 C ATOM 513 O ASP A 33 -3.720 15.844 -3.372 1.00 0.00 O ATOM 514 CB ASP A 33 -1.676 15.565 -0.838 1.00 0.00 C ATOM 515 CG ASP A 33 -0.740 16.015 -1.958 1.00 0.00 C ATOM 516 OD1 ASP A 33 -0.668 15.319 -2.960 1.00 0.00 O ATOM 517 OD2 ASP A 33 -0.111 17.048 -1.799 1.00 0.00 O ATOM 0 H ASP A 33 -3.865 15.111 0.588 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.001 17.197 -1.325 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.291 15.898 0.126 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.720 14.476 -0.804 1.00 0.00 H new ATOM 522 N GLY A 34 -4.322 14.224 -1.912 1.00 0.00 N ATOM 523 CA GLY A 34 -4.987 13.401 -2.925 1.00 0.00 C ATOM 524 C GLY A 34 -4.265 12.063 -3.108 1.00 0.00 C ATOM 525 O GLY A 34 -4.126 11.568 -4.229 1.00 0.00 O ATOM 0 H GLY A 34 -4.345 13.835 -0.969 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.021 13.223 -2.631 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.013 13.937 -3.874 1.00 0.00 H new ATOM 529 N CYS A 35 -3.810 11.484 -1.991 1.00 0.00 N ATOM 530 CA CYS A 35 -3.103 10.198 -2.022 1.00 0.00 C ATOM 531 C CYS A 35 -3.218 9.502 -0.666 1.00 0.00 C ATOM 532 O CYS A 35 -3.717 10.082 0.302 1.00 0.00 O ATOM 533 CB CYS A 35 -1.617 10.387 -2.366 1.00 0.00 C ATOM 534 SG CYS A 35 -1.092 12.077 -1.978 1.00 0.00 S ATOM 0 H CYS A 35 -3.918 11.883 -1.058 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.566 9.584 -2.795 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -1.013 9.674 -1.805 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.453 10.182 -3.424 1.00 0.00 H new ATOM 0 HG CYS A 35 -1.265 12.835 -3.020 1.00 0.00 H new ATOM 540 N ILE A 36 -2.744 8.255 -0.600 1.00 0.00 N ATOM 541 CA ILE A 36 -2.798 7.498 0.651 1.00 0.00 C ATOM 542 C ILE A 36 -1.425 7.489 1.322 1.00 0.00 C ATOM 543 O ILE A 36 -0.452 8.013 0.778 1.00 0.00 O ATOM 544 CB ILE A 36 -3.260 6.051 0.409 1.00 0.00 C ATOM 545 CG1 ILE A 36 -2.329 5.360 -0.595 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.691 6.049 -0.138 1.00 0.00 C ATOM 547 CD1 ILE A 36 -1.528 4.271 0.123 1.00 0.00 C ATOM 0 H ILE A 36 -2.325 7.756 -1.385 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.521 7.987 1.304 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.230 5.510 1.355 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.911 4.924 -1.407 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.653 6.089 -1.043 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.014 5.022 -0.308 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.357 6.524 0.583 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.722 6.599 -1.078 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.865 3.778 -0.588 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.935 4.721 0.920 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.212 3.538 0.550 1.00 0.00 H new ATOM 559 N SER A 37 -1.356 6.890 2.509 1.00 0.00 N ATOM 560 CA SER A 37 -0.099 6.819 3.246 1.00 0.00 C ATOM 561 C SER A 37 0.617 5.506 2.946 1.00 0.00 C ATOM 562 O SER A 37 -0.017 4.461 2.779 1.00 0.00 O ATOM 563 CB SER A 37 -0.351 6.922 4.751 1.00 0.00 C ATOM 564 OG SER A 37 0.846 7.328 5.403 1.00 0.00 O ATOM 0 H SER A 37 -2.149 6.451 2.977 1.00 0.00 H new ATOM 0 HA SER A 37 0.526 7.654 2.930 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.148 7.639 4.949 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.683 5.960 5.142 1.00 0.00 H new ATOM 0 HG SER A 37 0.686 7.396 6.367 1.00 0.00 H new ATOM 570 N THR A 38 1.946 5.574 2.893 1.00 0.00 N ATOM 571 CA THR A 38 2.763 4.384 2.627 1.00 0.00 C ATOM 572 C THR A 38 2.506 3.309 3.687 1.00 0.00 C ATOM 573 O THR A 38 2.504 2.114 3.387 1.00 0.00 O ATOM 574 CB THR A 38 4.254 4.740 2.623 1.00 0.00 C ATOM 575 OG1 THR A 38 4.554 5.564 3.743 1.00 0.00 O ATOM 576 CG2 THR A 38 4.592 5.485 1.332 1.00 0.00 C ATOM 0 H THR A 38 2.480 6.432 3.029 1.00 0.00 H new ATOM 0 HA THR A 38 2.483 4.000 1.646 1.00 0.00 H new ATOM 0 HB THR A 38 4.846 3.827 2.683 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.419 6.504 3.503 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.652 5.740 1.326 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.367 4.850 0.476 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.999 6.398 1.273 1.00 0.00 H new ATOM 584 N LYS A 39 2.277 3.753 4.928 1.00 0.00 N ATOM 585 CA LYS A 39 2.003 2.832 6.033 1.00 0.00 C ATOM 586 C LYS A 39 0.564 2.305 5.956 1.00 0.00 C ATOM 587 O LYS A 39 0.262 1.221 6.456 1.00 0.00 O ATOM 588 CB LYS A 39 2.209 3.537 7.380 1.00 0.00 C ATOM 589 CG LYS A 39 3.623 4.133 7.456 1.00 0.00 C ATOM 590 CD LYS A 39 4.656 3.090 7.018 1.00 0.00 C ATOM 591 CE LYS A 39 6.069 3.653 7.202 1.00 0.00 C ATOM 592 NZ LYS A 39 6.440 4.481 6.017 1.00 0.00 N ATOM 0 H LYS A 39 2.276 4.739 5.190 1.00 0.00 H new ATOM 0 HA LYS A 39 2.696 1.995 5.951 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.467 4.326 7.503 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.060 2.829 8.196 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.690 5.014 6.817 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.834 4.461 8.474 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.538 2.179 7.604 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.495 2.820 5.974 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.115 4.257 8.108 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.782 2.838 7.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.138 3.969 5.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.592 4.670 5.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.849 5.382 6.337 1.00 0.00 H new ATOM 606 N GLU A 40 -0.316 3.087 5.316 1.00 0.00 N ATOM 607 CA GLU A 40 -1.722 2.699 5.166 1.00 0.00 C ATOM 608 C GLU A 40 -1.938 1.803 3.932 1.00 0.00 C ATOM 609 O GLU A 40 -3.078 1.504 3.572 1.00 0.00 O ATOM 610 CB GLU A 40 -2.609 3.944 5.034 1.00 0.00 C ATOM 611 CG GLU A 40 -3.159 4.335 6.410 1.00 0.00 C ATOM 612 CD GLU A 40 -2.224 5.345 7.073 1.00 0.00 C ATOM 613 OE1 GLU A 40 -1.200 4.928 7.590 1.00 0.00 O ATOM 614 OE2 GLU A 40 -2.548 6.522 7.055 1.00 0.00 O ATOM 0 H GLU A 40 -0.080 3.986 4.897 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.996 2.137 6.059 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.034 4.769 4.614 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.431 3.745 4.346 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.156 4.763 6.305 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.257 3.449 7.038 1.00 0.00 H new ATOM 621 N LEU A 41 -0.839 1.373 3.291 1.00 0.00 N ATOM 622 CA LEU A 41 -0.933 0.508 2.109 1.00 0.00 C ATOM 623 C LEU A 41 -1.725 -0.762 2.431 1.00 0.00 C ATOM 624 O LEU A 41 -2.549 -1.209 1.636 1.00 0.00 O ATOM 625 CB LEU A 41 0.464 0.103 1.626 1.00 0.00 C ATOM 626 CG LEU A 41 0.737 0.308 0.132 1.00 0.00 C ATOM 627 CD1 LEU A 41 -0.353 -0.374 -0.703 1.00 0.00 C ATOM 628 CD2 LEU A 41 0.761 1.807 -0.183 1.00 0.00 C ATOM 0 H LEU A 41 0.114 1.608 3.569 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.444 1.071 1.328 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.203 0.670 2.192 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.619 -0.949 1.864 1.00 0.00 H new ATOM 0 HG LEU A 41 1.702 -0.134 -0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.148 -0.222 -1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.363 -1.442 -0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.324 0.056 -0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.955 1.952 -1.246 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.202 2.248 0.074 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.547 2.288 0.399 1.00 0.00 H new ATOM 640 N GLY A 42 -1.460 -1.333 3.610 1.00 0.00 N ATOM 641 CA GLY A 42 -2.145 -2.555 4.044 1.00 0.00 C ATOM 642 C GLY A 42 -3.666 -2.370 4.135 1.00 0.00 C ATOM 643 O GLY A 42 -4.410 -3.348 4.141 1.00 0.00 O ATOM 0 H GLY A 42 -0.780 -0.971 4.278 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.921 -3.362 3.346 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.759 -2.859 5.017 1.00 0.00 H new ATOM 647 N LYS A 43 -4.120 -1.113 4.208 1.00 0.00 N ATOM 648 CA LYS A 43 -5.555 -0.830 4.303 1.00 0.00 C ATOM 649 C LYS A 43 -6.211 -0.852 2.920 1.00 0.00 C ATOM 650 O LYS A 43 -7.336 -1.332 2.766 1.00 0.00 O ATOM 651 CB LYS A 43 -5.792 0.546 4.939 1.00 0.00 C ATOM 652 CG LYS A 43 -5.120 0.611 6.317 1.00 0.00 C ATOM 653 CD LYS A 43 -5.997 -0.096 7.356 1.00 0.00 C ATOM 654 CE LYS A 43 -7.064 0.872 7.875 1.00 0.00 C ATOM 655 NZ LYS A 43 -8.228 0.099 8.399 1.00 0.00 N ATOM 0 H LYS A 43 -3.523 -0.286 4.203 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.001 -1.606 4.926 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.392 1.328 4.293 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.862 0.730 5.038 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.138 0.140 6.275 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.963 1.650 6.607 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.471 -0.971 6.911 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.383 -0.452 8.183 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.648 1.500 8.662 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.387 1.537 7.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.952 0.758 8.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.630 -0.482 7.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.914 -0.518 9.175 1.00 0.00 H new ATOM 669 N VAL A 44 -5.502 -0.318 1.920 1.00 0.00 N ATOM 670 CA VAL A 44 -6.030 -0.270 0.552 1.00 0.00 C ATOM 671 C VAL A 44 -5.952 -1.643 -0.129 1.00 0.00 C ATOM 672 O VAL A 44 -6.848 -2.011 -0.890 1.00 0.00 O ATOM 673 CB VAL A 44 -5.274 0.767 -0.300 1.00 0.00 C ATOM 674 CG1 VAL A 44 -5.560 2.175 0.229 1.00 0.00 C ATOM 675 CG2 VAL A 44 -3.764 0.508 -0.245 1.00 0.00 C ATOM 0 H VAL A 44 -4.571 0.083 2.030 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.077 0.025 0.627 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.614 0.681 -1.332 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.024 2.907 -0.376 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.630 2.374 0.175 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.230 2.248 1.265 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.245 1.250 -0.852 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.420 0.579 0.787 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.552 -0.489 -0.630 1.00 0.00 H new ATOM 685 N MET A 45 -4.877 -2.396 0.146 1.00 0.00 N ATOM 686 CA MET A 45 -4.711 -3.725 -0.462 1.00 0.00 C ATOM 687 C MET A 45 -5.659 -4.745 0.166 1.00 0.00 C ATOM 688 O MET A 45 -6.250 -5.568 -0.535 1.00 0.00 O ATOM 689 CB MET A 45 -3.266 -4.229 -0.329 1.00 0.00 C ATOM 690 CG MET A 45 -2.840 -4.282 1.143 1.00 0.00 C ATOM 691 SD MET A 45 -1.124 -4.846 1.252 1.00 0.00 S ATOM 692 CE MET A 45 -0.347 -3.380 0.531 1.00 0.00 C ATOM 0 H MET A 45 -4.123 -2.115 0.773 1.00 0.00 H new ATOM 0 HA MET A 45 -4.952 -3.618 -1.520 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.180 -5.221 -0.773 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.595 -3.573 -0.883 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.940 -3.296 1.598 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.492 -4.957 1.698 1.00 0.00 H new ATOM 0 HE1 MET A 45 0.595 -3.179 1.042 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.156 -3.553 -0.528 1.00 0.00 H new ATOM 0 HE3 MET A 45 -1.011 -2.523 0.644 1.00 0.00 H new ATOM 702 N ARG A 46 -5.797 -4.679 1.491 1.00 0.00 N ATOM 703 CA ARG A 46 -6.682 -5.601 2.213 1.00 0.00 C ATOM 704 C ARG A 46 -8.117 -5.491 1.693 1.00 0.00 C ATOM 705 O ARG A 46 -8.812 -6.498 1.546 1.00 0.00 O ATOM 706 CB ARG A 46 -6.670 -5.306 3.716 1.00 0.00 C ATOM 707 CG ARG A 46 -5.598 -6.163 4.396 1.00 0.00 C ATOM 708 CD ARG A 46 -5.864 -6.221 5.903 1.00 0.00 C ATOM 709 NE ARG A 46 -5.443 -4.977 6.553 1.00 0.00 N ATOM 710 CZ ARG A 46 -4.161 -4.736 6.865 1.00 0.00 C ATOM 711 NH1 ARG A 46 -3.225 -5.616 6.593 1.00 0.00 N ATOM 712 NH2 ARG A 46 -3.838 -3.608 7.444 1.00 0.00 N ATOM 0 H ARG A 46 -5.313 -4.004 2.084 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.312 -6.612 2.044 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.469 -4.249 3.888 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.648 -5.519 4.147 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.603 -7.169 3.977 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.610 -5.744 4.207 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.926 -6.390 6.083 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.328 -7.064 6.339 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.147 -4.273 6.775 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -3.469 -6.496 6.139 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.254 -5.419 6.836 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.559 -2.918 7.655 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -2.865 -3.418 7.684 1.00 0.00 H new ATOM 726 N MET A 47 -8.544 -4.258 1.407 1.00 0.00 N ATOM 727 CA MET A 47 -9.894 -4.022 0.889 1.00 0.00 C ATOM 728 C MET A 47 -9.972 -4.375 -0.601 1.00 0.00 C ATOM 729 O MET A 47 -11.026 -4.779 -1.096 1.00 0.00 O ATOM 730 CB MET A 47 -10.292 -2.553 1.076 1.00 0.00 C ATOM 731 CG MET A 47 -10.651 -2.305 2.543 1.00 0.00 C ATOM 732 SD MET A 47 -11.823 -0.930 2.654 1.00 0.00 S ATOM 733 CE MET A 47 -12.804 -1.577 4.031 1.00 0.00 C ATOM 0 H MET A 47 -7.981 -3.416 1.524 1.00 0.00 H new ATOM 0 HA MET A 47 -10.581 -4.659 1.447 1.00 0.00 H new ATOM 0 HB2 MET A 47 -9.471 -1.902 0.776 1.00 0.00 H new ATOM 0 HB3 MET A 47 -11.141 -2.311 0.437 1.00 0.00 H new ATOM 0 HG2 MET A 47 -11.087 -3.204 2.979 1.00 0.00 H new ATOM 0 HG3 MET A 47 -9.752 -2.077 3.115 1.00 0.00 H new ATOM 0 HE1 MET A 47 -13.601 -0.874 4.272 1.00 0.00 H new ATOM 0 HE2 MET A 47 -13.239 -2.536 3.749 1.00 0.00 H new ATOM 0 HE3 MET A 47 -12.163 -1.712 4.902 1.00 0.00 H new ATOM 743 N LEU A 48 -8.844 -4.217 -1.305 1.00 0.00 N ATOM 744 CA LEU A 48 -8.784 -4.521 -2.739 1.00 0.00 C ATOM 745 C LEU A 48 -9.054 -6.006 -2.997 1.00 0.00 C ATOM 746 O LEU A 48 -9.829 -6.355 -3.891 1.00 0.00 O ATOM 747 CB LEU A 48 -7.407 -4.152 -3.303 1.00 0.00 C ATOM 748 CG LEU A 48 -7.288 -4.178 -4.831 1.00 0.00 C ATOM 749 CD1 LEU A 48 -8.185 -3.096 -5.440 1.00 0.00 C ATOM 750 CD2 LEU A 48 -5.833 -3.914 -5.227 1.00 0.00 C ATOM 0 H LEU A 48 -7.966 -3.883 -0.908 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.553 -3.931 -3.237 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.147 -3.153 -2.953 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.668 -4.838 -2.887 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.601 -5.154 -5.202 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.097 -3.119 -6.526 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.221 -3.280 -5.156 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.876 -2.118 -5.071 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.743 -3.931 -6.313 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.526 -2.937 -4.853 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.193 -4.685 -4.797 1.00 0.00 H new ATOM 762 N GLY A 49 -8.413 -6.877 -2.210 1.00 0.00 N ATOM 763 CA GLY A 49 -8.604 -8.322 -2.375 1.00 0.00 C ATOM 764 C GLY A 49 -7.464 -9.132 -1.747 1.00 0.00 C ATOM 765 O GLY A 49 -7.687 -10.231 -1.237 1.00 0.00 O ATOM 0 H GLY A 49 -7.768 -6.613 -1.465 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.550 -8.616 -1.920 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.674 -8.559 -3.437 1.00 0.00 H new ATOM 769 N GLN A 50 -6.242 -8.588 -1.795 1.00 0.00 N ATOM 770 CA GLN A 50 -5.081 -9.285 -1.232 1.00 0.00 C ATOM 771 C GLN A 50 -4.982 -9.042 0.273 1.00 0.00 C ATOM 772 O GLN A 50 -5.428 -8.013 0.779 1.00 0.00 O ATOM 773 CB GLN A 50 -3.788 -8.805 -1.900 1.00 0.00 C ATOM 774 CG GLN A 50 -2.885 -10.007 -2.187 1.00 0.00 C ATOM 775 CD GLN A 50 -1.609 -9.536 -2.878 1.00 0.00 C ATOM 776 OE1 GLN A 50 -0.602 -9.268 -2.221 1.00 0.00 O ATOM 777 NE2 GLN A 50 -1.588 -9.419 -4.180 1.00 0.00 N ATOM 0 H GLN A 50 -6.033 -7.681 -2.212 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.212 -10.351 -1.418 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.018 -8.280 -2.827 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.273 -8.096 -1.252 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.639 -10.520 -1.257 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.408 -10.725 -2.818 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.421 -9.641 -4.725 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.739 -9.106 -4.650 1.00 0.00 H new ATOM 786 N ASN A 51 -4.388 -10.008 0.981 1.00 0.00 N ATOM 787 CA ASN A 51 -4.234 -9.897 2.432 1.00 0.00 C ATOM 788 C ASN A 51 -2.860 -10.423 2.873 1.00 0.00 C ATOM 789 O ASN A 51 -2.739 -11.543 3.374 1.00 0.00 O ATOM 790 CB ASN A 51 -5.341 -10.688 3.143 1.00 0.00 C ATOM 791 CG ASN A 51 -5.552 -10.126 4.547 1.00 0.00 C ATOM 792 OD1 ASN A 51 -4.801 -10.444 5.470 1.00 0.00 O ATOM 793 ND2 ASN A 51 -6.540 -9.301 4.767 1.00 0.00 N ATOM 0 H ASN A 51 -4.010 -10.865 0.577 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.311 -8.844 2.704 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.268 -10.628 2.573 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.070 -11.742 3.199 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.689 -8.921 5.702 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.163 -9.036 4.004 1.00 0.00 H new ATOM 800 N PRO A 52 -1.810 -9.609 2.690 1.00 0.00 N ATOM 801 CA PRO A 52 -0.435 -9.984 3.074 1.00 0.00 C ATOM 802 C PRO A 52 -0.136 -9.709 4.552 1.00 0.00 C ATOM 803 O PRO A 52 -1.042 -9.449 5.347 1.00 0.00 O ATOM 804 CB PRO A 52 0.404 -9.075 2.181 1.00 0.00 C ATOM 805 CG PRO A 52 -0.465 -7.876 1.826 1.00 0.00 C ATOM 806 CD PRO A 52 -1.926 -8.266 2.085 1.00 0.00 C ATOM 0 HA PRO A 52 -0.242 -11.050 2.951 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.309 -8.756 2.697 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.720 -9.603 1.281 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.188 -7.011 2.428 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.323 -7.596 0.782 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.419 -7.562 2.756 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.507 -8.288 1.163 1.00 0.00 H new ATOM 814 N THR A 53 1.151 -9.761 4.900 1.00 0.00 N ATOM 815 CA THR A 53 1.587 -9.508 6.276 1.00 0.00 C ATOM 816 C THR A 53 2.188 -8.101 6.372 1.00 0.00 C ATOM 817 O THR A 53 2.361 -7.429 5.353 1.00 0.00 O ATOM 818 CB THR A 53 2.642 -10.545 6.700 1.00 0.00 C ATOM 819 OG1 THR A 53 3.898 -10.215 6.122 1.00 0.00 O ATOM 820 CG2 THR A 53 2.222 -11.937 6.229 1.00 0.00 C ATOM 0 H THR A 53 1.908 -9.975 4.251 1.00 0.00 H new ATOM 0 HA THR A 53 0.726 -9.587 6.939 1.00 0.00 H new ATOM 0 HB THR A 53 2.726 -10.540 7.787 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.475 -11.007 6.118 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.973 -12.666 6.533 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.262 -12.198 6.675 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.130 -11.941 5.143 1.00 0.00 H new ATOM 828 N PRO A 54 2.529 -7.641 7.583 1.00 0.00 N ATOM 829 CA PRO A 54 3.130 -6.304 7.762 1.00 0.00 C ATOM 830 C PRO A 54 4.585 -6.250 7.291 1.00 0.00 C ATOM 831 O PRO A 54 5.074 -5.201 6.870 1.00 0.00 O ATOM 832 CB PRO A 54 3.020 -6.088 9.266 1.00 0.00 C ATOM 833 CG PRO A 54 2.913 -7.466 9.904 1.00 0.00 C ATOM 834 CD PRO A 54 2.354 -8.410 8.836 1.00 0.00 C ATOM 0 HA PRO A 54 2.632 -5.535 7.172 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.892 -5.554 9.644 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.146 -5.482 9.506 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.889 -7.808 10.249 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.259 -7.438 10.775 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.897 -9.354 8.809 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.307 -8.650 9.019 1.00 0.00 H new ATOM 842 N GLU A 55 5.265 -7.399 7.352 1.00 0.00 N ATOM 843 CA GLU A 55 6.658 -7.478 6.909 1.00 0.00 C ATOM 844 C GLU A 55 6.729 -7.678 5.390 1.00 0.00 C ATOM 845 O GLU A 55 7.645 -7.180 4.732 1.00 0.00 O ATOM 846 CB GLU A 55 7.402 -8.624 7.611 1.00 0.00 C ATOM 847 CG GLU A 55 6.680 -9.956 7.376 1.00 0.00 C ATOM 848 CD GLU A 55 7.545 -11.104 7.889 1.00 0.00 C ATOM 849 OE1 GLU A 55 7.428 -11.431 9.059 1.00 0.00 O ATOM 850 OE2 GLU A 55 8.309 -11.641 7.104 1.00 0.00 O ATOM 0 H GLU A 55 4.878 -8.277 7.700 1.00 0.00 H new ATOM 0 HA GLU A 55 7.140 -6.537 7.173 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.423 -8.686 7.236 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.467 -8.422 8.680 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.718 -9.955 7.888 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.475 -10.088 6.314 1.00 0.00 H new ATOM 857 N GLU A 56 5.749 -8.411 4.842 1.00 0.00 N ATOM 858 CA GLU A 56 5.706 -8.669 3.400 1.00 0.00 C ATOM 859 C GLU A 56 5.279 -7.411 2.644 1.00 0.00 C ATOM 860 O GLU A 56 5.953 -6.985 1.703 1.00 0.00 O ATOM 861 CB GLU A 56 4.725 -9.806 3.084 1.00 0.00 C ATOM 862 CG GLU A 56 4.849 -10.210 1.609 1.00 0.00 C ATOM 863 CD GLU A 56 6.210 -10.859 1.362 1.00 0.00 C ATOM 864 OE1 GLU A 56 6.341 -12.041 1.637 1.00 0.00 O ATOM 865 OE2 GLU A 56 7.101 -10.165 0.898 1.00 0.00 O ATOM 0 H GLU A 56 4.984 -8.831 5.371 1.00 0.00 H new ATOM 0 HA GLU A 56 6.707 -8.960 3.081 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.932 -10.664 3.723 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.705 -9.487 3.298 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.052 -10.904 1.345 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.733 -9.334 0.972 1.00 0.00 H new ATOM 872 N LEU A 57 4.156 -6.817 3.069 1.00 0.00 N ATOM 873 CA LEU A 57 3.649 -5.599 2.428 1.00 0.00 C ATOM 874 C LEU A 57 4.665 -4.454 2.541 1.00 0.00 C ATOM 875 O LEU A 57 4.708 -3.571 1.683 1.00 0.00 O ATOM 876 CB LEU A 57 2.308 -5.171 3.056 1.00 0.00 C ATOM 877 CG LEU A 57 2.288 -3.794 3.741 1.00 0.00 C ATOM 878 CD1 LEU A 57 0.843 -3.321 3.904 1.00 0.00 C ATOM 879 CD2 LEU A 57 2.947 -3.893 5.122 1.00 0.00 C ATOM 0 H LEU A 57 3.588 -7.156 3.845 1.00 0.00 H new ATOM 0 HA LEU A 57 3.491 -5.821 1.373 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.547 -5.177 2.276 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.018 -5.923 3.790 1.00 0.00 H new ATOM 0 HG LEU A 57 2.838 -3.082 3.126 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.832 -2.345 4.390 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.373 -3.244 2.924 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.293 -4.036 4.515 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.931 -2.915 5.604 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.400 -4.609 5.736 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.979 -4.225 5.010 1.00 0.00 H new ATOM 891 N GLN A 58 5.474 -4.475 3.612 1.00 0.00 N ATOM 892 CA GLN A 58 6.478 -3.430 3.831 1.00 0.00 C ATOM 893 C GLN A 58 7.357 -3.252 2.594 1.00 0.00 C ATOM 894 O GLN A 58 7.495 -2.143 2.077 1.00 0.00 O ATOM 895 CB GLN A 58 7.370 -3.766 5.034 1.00 0.00 C ATOM 896 CG GLN A 58 7.408 -2.573 5.994 1.00 0.00 C ATOM 897 CD GLN A 58 7.968 -1.346 5.274 1.00 0.00 C ATOM 898 OE1 GLN A 58 9.182 -1.162 5.200 1.00 0.00 O ATOM 899 NE2 GLN A 58 7.144 -0.487 4.733 1.00 0.00 N ATOM 0 H GLN A 58 5.451 -5.198 4.331 1.00 0.00 H new ATOM 0 HA GLN A 58 5.942 -2.502 4.030 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.987 -4.648 5.548 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.378 -4.006 4.696 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.405 -2.362 6.366 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.026 -2.811 6.860 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.137 -0.638 4.794 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.508 0.334 4.250 1.00 0.00 H new ATOM 908 N GLU A 59 7.947 -4.357 2.126 1.00 0.00 N ATOM 909 CA GLU A 59 8.811 -4.320 0.946 1.00 0.00 C ATOM 910 C GLU A 59 8.063 -3.787 -0.277 1.00 0.00 C ATOM 911 O GLU A 59 8.624 -3.035 -1.074 1.00 0.00 O ATOM 912 CB GLU A 59 9.348 -5.717 0.631 1.00 0.00 C ATOM 913 CG GLU A 59 10.813 -5.797 1.057 1.00 0.00 C ATOM 914 CD GLU A 59 11.685 -5.082 0.027 1.00 0.00 C ATOM 915 OE1 GLU A 59 12.093 -5.726 -0.926 1.00 0.00 O ATOM 916 OE2 GLU A 59 11.931 -3.900 0.205 1.00 0.00 O ATOM 0 H GLU A 59 7.842 -5.281 2.544 1.00 0.00 H new ATOM 0 HA GLU A 59 9.639 -3.649 1.172 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.762 -6.472 1.155 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.254 -5.924 -0.435 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.943 -5.340 2.038 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.120 -6.839 1.148 1.00 0.00 H new ATOM 923 N MET A 60 6.795 -4.183 -0.415 1.00 0.00 N ATOM 924 CA MET A 60 5.978 -3.740 -1.548 1.00 0.00 C ATOM 925 C MET A 60 5.801 -2.220 -1.537 1.00 0.00 C ATOM 926 O MET A 60 5.850 -1.578 -2.584 1.00 0.00 O ATOM 927 CB MET A 60 4.597 -4.402 -1.514 1.00 0.00 C ATOM 928 CG MET A 60 4.728 -5.879 -1.893 1.00 0.00 C ATOM 929 SD MET A 60 3.285 -6.787 -1.285 1.00 0.00 S ATOM 930 CE MET A 60 3.232 -8.033 -2.595 1.00 0.00 C ATOM 0 H MET A 60 6.315 -4.804 0.237 1.00 0.00 H new ATOM 0 HA MET A 60 6.500 -4.034 -2.459 1.00 0.00 H new ATOM 0 HB2 MET A 60 4.162 -4.308 -0.519 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.923 -3.897 -2.206 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.807 -5.982 -2.975 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.640 -6.296 -1.466 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.399 -8.714 -2.416 1.00 0.00 H new ATOM 0 HE2 MET A 60 3.099 -7.542 -3.559 1.00 0.00 H new ATOM 0 HE3 MET A 60 4.166 -8.595 -2.600 1.00 0.00 H new ATOM 940 N ILE A 61 5.591 -1.655 -0.342 1.00 0.00 N ATOM 941 CA ILE A 61 5.401 -0.211 -0.199 1.00 0.00 C ATOM 942 C ILE A 61 6.591 0.565 -0.771 1.00 0.00 C ATOM 943 O ILE A 61 6.469 1.227 -1.802 1.00 0.00 O ATOM 944 CB ILE A 61 5.208 0.140 1.280 1.00 0.00 C ATOM 945 CG1 ILE A 61 3.864 -0.419 1.748 1.00 0.00 C ATOM 946 CG2 ILE A 61 5.229 1.658 1.470 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.975 -0.884 3.197 1.00 0.00 C ATOM 0 H ILE A 61 5.549 -2.175 0.535 1.00 0.00 H new ATOM 0 HA ILE A 61 4.512 0.075 -0.761 1.00 0.00 H new ATOM 0 HB ILE A 61 6.018 -0.295 1.866 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.091 0.345 1.660 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.564 -1.251 1.111 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.091 1.895 2.525 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.187 2.054 1.132 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.424 2.109 0.889 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.015 -1.282 3.526 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.735 -1.662 3.272 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.255 -0.041 3.829 1.00 0.00 H new ATOM 959 N ASP A 62 7.738 0.487 -0.089 1.00 0.00 N ATOM 960 CA ASP A 62 8.943 1.195 -0.543 1.00 0.00 C ATOM 961 C ASP A 62 9.264 0.876 -2.010 1.00 0.00 C ATOM 962 O ASP A 62 9.766 1.730 -2.743 1.00 0.00 O ATOM 963 CB ASP A 62 10.151 0.833 0.334 1.00 0.00 C ATOM 964 CG ASP A 62 10.494 -0.651 0.206 1.00 0.00 C ATOM 965 OD1 ASP A 62 11.256 -0.993 -0.686 1.00 0.00 O ATOM 966 OD2 ASP A 62 10.001 -1.421 1.009 1.00 0.00 O ATOM 0 H ASP A 62 7.859 -0.051 0.769 1.00 0.00 H new ATOM 0 HA ASP A 62 8.741 2.262 -0.456 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.011 1.435 0.042 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.934 1.072 1.375 1.00 0.00 H new ATOM 971 N GLU A 63 8.970 -0.361 -2.425 1.00 0.00 N ATOM 972 CA GLU A 63 9.234 -0.782 -3.805 1.00 0.00 C ATOM 973 C GLU A 63 8.361 -0.007 -4.796 1.00 0.00 C ATOM 974 O GLU A 63 8.875 0.621 -5.722 1.00 0.00 O ATOM 975 CB GLU A 63 8.972 -2.282 -3.978 1.00 0.00 C ATOM 976 CG GLU A 63 10.236 -3.067 -3.617 1.00 0.00 C ATOM 977 CD GLU A 63 9.972 -4.563 -3.776 1.00 0.00 C ATOM 978 OE1 GLU A 63 9.890 -5.015 -4.908 1.00 0.00 O ATOM 979 OE2 GLU A 63 9.854 -5.233 -2.764 1.00 0.00 O ATOM 0 H GLU A 63 8.554 -1.080 -1.833 1.00 0.00 H new ATOM 0 HA GLU A 63 10.283 -0.571 -4.011 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.144 -2.593 -3.341 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.680 -2.495 -5.007 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.062 -2.763 -4.260 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.533 -2.847 -2.592 1.00 0.00 H new ATOM 986 N VAL A 64 7.035 -0.058 -4.597 1.00 0.00 N ATOM 987 CA VAL A 64 6.104 0.644 -5.496 1.00 0.00 C ATOM 988 C VAL A 64 6.297 2.161 -5.430 1.00 0.00 C ATOM 989 O VAL A 64 6.028 2.861 -6.408 1.00 0.00 O ATOM 990 CB VAL A 64 4.637 0.318 -5.168 1.00 0.00 C ATOM 991 CG1 VAL A 64 4.418 -1.197 -5.186 1.00 0.00 C ATOM 992 CG2 VAL A 64 4.269 0.877 -3.787 1.00 0.00 C ATOM 0 H VAL A 64 6.588 -0.569 -3.835 1.00 0.00 H new ATOM 0 HA VAL A 64 6.331 0.293 -6.503 1.00 0.00 H new ATOM 0 HB VAL A 64 3.999 0.780 -5.922 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.376 -1.417 -4.953 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.659 -1.588 -6.175 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.063 -1.667 -4.444 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.228 0.641 -3.564 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.913 0.429 -3.030 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.404 1.959 -3.784 1.00 0.00 H new ATOM 1002 N ASP A 65 6.756 2.664 -4.273 1.00 0.00 N ATOM 1003 CA ASP A 65 6.968 4.103 -4.104 1.00 0.00 C ATOM 1004 C ASP A 65 7.978 4.613 -5.132 1.00 0.00 C ATOM 1005 O ASP A 65 9.193 4.492 -4.953 1.00 0.00 O ATOM 1006 CB ASP A 65 7.474 4.420 -2.690 1.00 0.00 C ATOM 1007 CG ASP A 65 6.820 5.705 -2.178 1.00 0.00 C ATOM 1008 OD1 ASP A 65 6.836 6.693 -2.896 1.00 0.00 O ATOM 1009 OD2 ASP A 65 6.314 5.683 -1.071 1.00 0.00 O ATOM 0 H ASP A 65 6.984 2.101 -3.453 1.00 0.00 H new ATOM 0 HA ASP A 65 6.012 4.604 -4.255 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.245 3.593 -2.018 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.558 4.532 -2.699 1.00 0.00 H new ATOM 1014 N GLU A 66 7.450 5.171 -6.221 1.00 0.00 N ATOM 1015 CA GLU A 66 8.294 5.690 -7.301 1.00 0.00 C ATOM 1016 C GLU A 66 8.920 7.037 -6.927 1.00 0.00 C ATOM 1017 O GLU A 66 10.065 7.317 -7.287 1.00 0.00 O ATOM 1018 CB GLU A 66 7.474 5.863 -8.583 1.00 0.00 C ATOM 1019 CG GLU A 66 7.188 4.490 -9.200 1.00 0.00 C ATOM 1020 CD GLU A 66 6.027 4.600 -10.183 1.00 0.00 C ATOM 1021 OE1 GLU A 66 4.894 4.516 -9.744 1.00 0.00 O ATOM 1022 OE2 GLU A 66 6.287 4.767 -11.363 1.00 0.00 O ATOM 0 H GLU A 66 6.448 5.276 -6.380 1.00 0.00 H new ATOM 0 HA GLU A 66 9.092 4.965 -7.465 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.538 6.375 -8.361 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.018 6.486 -9.293 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.076 4.118 -9.711 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.947 3.772 -8.417 1.00 0.00 H new ATOM 1029 N ASP A 67 8.157 7.869 -6.214 1.00 0.00 N ATOM 1030 CA ASP A 67 8.649 9.191 -5.810 1.00 0.00 C ATOM 1031 C ASP A 67 9.515 9.099 -4.553 1.00 0.00 C ATOM 1032 O ASP A 67 10.600 9.682 -4.491 1.00 0.00 O ATOM 1033 CB ASP A 67 7.482 10.148 -5.532 1.00 0.00 C ATOM 1034 CG ASP A 67 6.443 10.048 -6.648 1.00 0.00 C ATOM 1035 OD1 ASP A 67 6.729 10.510 -7.742 1.00 0.00 O ATOM 1036 OD2 ASP A 67 5.379 9.511 -6.392 1.00 0.00 O ATOM 0 H ASP A 67 7.208 7.656 -5.907 1.00 0.00 H new ATOM 0 HA ASP A 67 9.249 9.574 -6.635 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.022 9.905 -4.574 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.850 11.171 -5.458 1.00 0.00 H new ATOM 1041 N GLY A 68 9.015 8.377 -3.547 1.00 0.00 N ATOM 1042 CA GLY A 68 9.735 8.229 -2.281 1.00 0.00 C ATOM 1043 C GLY A 68 9.534 9.469 -1.410 1.00 0.00 C ATOM 1044 O GLY A 68 10.459 9.928 -0.737 1.00 0.00 O ATOM 0 H GLY A 68 8.120 7.889 -3.584 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.379 7.344 -1.754 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.797 8.080 -2.474 1.00 0.00 H new ATOM 1048 N SER A 69 8.312 10.010 -1.445 1.00 0.00 N ATOM 1049 CA SER A 69 7.977 11.207 -0.676 1.00 0.00 C ATOM 1050 C SER A 69 7.386 10.839 0.687 1.00 0.00 C ATOM 1051 O SER A 69 7.866 11.295 1.726 1.00 0.00 O ATOM 1052 CB SER A 69 6.968 12.058 -1.453 1.00 0.00 C ATOM 1053 OG SER A 69 5.914 11.227 -1.934 1.00 0.00 O ATOM 0 H SER A 69 7.541 9.636 -1.998 1.00 0.00 H new ATOM 0 HA SER A 69 8.894 11.774 -0.515 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.564 12.840 -0.810 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.462 12.556 -2.287 1.00 0.00 H new ATOM 0 HG SER A 69 5.268 11.772 -2.430 1.00 0.00 H new ATOM 1059 N GLY A 70 6.334 10.019 0.665 1.00 0.00 N ATOM 1060 CA GLY A 70 5.670 9.597 1.901 1.00 0.00 C ATOM 1061 C GLY A 70 4.255 9.094 1.617 1.00 0.00 C ATOM 1062 O GLY A 70 3.759 8.192 2.295 1.00 0.00 O ATOM 0 H GLY A 70 5.925 9.636 -0.187 1.00 0.00 H new ATOM 0 HA2 GLY A 70 6.251 8.809 2.380 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.630 10.432 2.600 1.00 0.00 H new ATOM 1066 N THR A 71 3.614 9.686 0.603 1.00 0.00 N ATOM 1067 CA THR A 71 2.256 9.291 0.224 1.00 0.00 C ATOM 1068 C THR A 71 2.285 8.502 -1.084 1.00 0.00 C ATOM 1069 O THR A 71 3.193 8.667 -1.904 1.00 0.00 O ATOM 1070 CB THR A 71 1.357 10.524 0.047 1.00 0.00 C ATOM 1071 OG1 THR A 71 1.818 11.302 -1.055 1.00 0.00 O ATOM 1072 CG2 THR A 71 1.385 11.368 1.324 1.00 0.00 C ATOM 0 H THR A 71 4.011 10.434 0.035 1.00 0.00 H new ATOM 0 HA THR A 71 1.851 8.668 1.022 1.00 0.00 H new ATOM 0 HB THR A 71 0.335 10.199 -0.147 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.050 11.662 -1.545 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.747 12.242 1.196 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.022 10.773 2.162 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.407 11.691 1.524 1.00 0.00 H new ATOM 1080 N VAL A 72 1.282 7.644 -1.271 1.00 0.00 N ATOM 1081 CA VAL A 72 1.203 6.833 -2.483 1.00 0.00 C ATOM 1082 C VAL A 72 0.118 7.365 -3.415 1.00 0.00 C ATOM 1083 O VAL A 72 -1.074 7.325 -3.099 1.00 0.00 O ATOM 1084 CB VAL A 72 0.898 5.370 -2.138 1.00 0.00 C ATOM 1085 CG1 VAL A 72 0.629 4.569 -3.420 1.00 0.00 C ATOM 1086 CG2 VAL A 72 2.100 4.765 -1.407 1.00 0.00 C ATOM 0 H VAL A 72 0.522 7.494 -0.607 1.00 0.00 H new ATOM 0 HA VAL A 72 2.169 6.889 -2.984 1.00 0.00 H new ATOM 0 HB VAL A 72 0.014 5.329 -1.501 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.414 3.532 -3.163 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.225 4.998 -3.944 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.507 4.608 -4.064 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.889 3.725 -1.159 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.979 4.814 -2.050 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.289 5.325 -0.491 1.00 0.00 H new ATOM 1096 N ASP A 73 0.554 7.842 -4.577 1.00 0.00 N ATOM 1097 CA ASP A 73 -0.364 8.361 -5.584 1.00 0.00 C ATOM 1098 C ASP A 73 -0.873 7.205 -6.443 1.00 0.00 C ATOM 1099 O ASP A 73 -0.486 6.053 -6.243 1.00 0.00 O ATOM 1100 CB ASP A 73 0.341 9.389 -6.478 1.00 0.00 C ATOM 1101 CG ASP A 73 0.810 10.572 -5.633 1.00 0.00 C ATOM 1102 OD1 ASP A 73 -0.020 11.404 -5.302 1.00 0.00 O ATOM 1103 OD2 ASP A 73 1.991 10.629 -5.328 1.00 0.00 O ATOM 0 H ASP A 73 1.538 7.880 -4.844 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.199 8.850 -5.082 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.192 8.927 -6.978 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.338 9.733 -7.258 1.00 0.00 H new ATOM 1108 N PHE A 74 -1.747 7.520 -7.396 1.00 0.00 N ATOM 1109 CA PHE A 74 -2.307 6.489 -8.272 1.00 0.00 C ATOM 1110 C PHE A 74 -1.229 5.841 -9.152 1.00 0.00 C ATOM 1111 O PHE A 74 -1.371 4.690 -9.564 1.00 0.00 O ATOM 1112 CB PHE A 74 -3.393 7.087 -9.170 1.00 0.00 C ATOM 1113 CG PHE A 74 -4.263 5.984 -9.721 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -4.650 4.916 -8.901 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -4.686 6.033 -11.051 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.460 3.898 -9.414 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -5.496 5.015 -11.566 1.00 0.00 C ATOM 1118 CZ PHE A 74 -5.883 3.947 -10.748 1.00 0.00 C ATOM 0 H PHE A 74 -2.080 8.466 -7.582 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.736 5.720 -7.630 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -4.000 7.792 -8.602 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.936 7.645 -9.987 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.323 4.879 -7.872 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.388 6.857 -11.682 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.759 3.075 -8.782 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.823 5.053 -12.595 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.508 3.161 -11.146 1.00 0.00 H new ATOM 1128 N ASP A 75 -0.155 6.586 -9.432 1.00 0.00 N ATOM 1129 CA ASP A 75 0.934 6.068 -10.268 1.00 0.00 C ATOM 1130 C ASP A 75 1.620 4.886 -9.587 1.00 0.00 C ATOM 1131 O ASP A 75 1.655 3.781 -10.133 1.00 0.00 O ATOM 1132 CB ASP A 75 1.965 7.167 -10.548 1.00 0.00 C ATOM 1133 CG ASP A 75 1.583 7.912 -11.823 1.00 0.00 C ATOM 1134 OD1 ASP A 75 0.788 8.835 -11.732 1.00 0.00 O ATOM 1135 OD2 ASP A 75 2.089 7.551 -12.872 1.00 0.00 O ATOM 0 H ASP A 75 -0.016 7.539 -9.097 1.00 0.00 H new ATOM 0 HA ASP A 75 0.504 5.733 -11.212 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.009 7.861 -9.708 1.00 0.00 H new ATOM 0 HB3 ASP A 75 2.958 6.730 -10.653 1.00 0.00 H new ATOM 1140 N GLU A 76 2.149 5.124 -8.384 1.00 0.00 N ATOM 1141 CA GLU A 76 2.814 4.059 -7.627 1.00 0.00 C ATOM 1142 C GLU A 76 1.798 3.054 -7.074 1.00 0.00 C ATOM 1143 O GLU A 76 2.163 1.972 -6.612 1.00 0.00 O ATOM 1144 CB GLU A 76 3.656 4.635 -6.488 1.00 0.00 C ATOM 1145 CG GLU A 76 2.858 5.651 -5.660 1.00 0.00 C ATOM 1146 CD GLU A 76 3.760 6.828 -5.267 1.00 0.00 C ATOM 1147 OE1 GLU A 76 4.944 6.613 -5.058 1.00 0.00 O ATOM 1148 OE2 GLU A 76 3.252 7.931 -5.177 1.00 0.00 O ATOM 0 H GLU A 76 2.131 6.031 -7.918 1.00 0.00 H new ATOM 0 HA GLU A 76 3.476 3.536 -8.317 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.999 3.827 -5.842 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.545 5.115 -6.897 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.005 6.011 -6.235 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.460 5.172 -4.765 1.00 0.00 H new ATOM 1155 N PHE A 77 0.517 3.412 -7.150 1.00 0.00 N ATOM 1156 CA PHE A 77 -0.551 2.529 -6.690 1.00 0.00 C ATOM 1157 C PHE A 77 -0.814 1.433 -7.732 1.00 0.00 C ATOM 1158 O PHE A 77 -1.135 0.295 -7.382 1.00 0.00 O ATOM 1159 CB PHE A 77 -1.839 3.331 -6.455 1.00 0.00 C ATOM 1160 CG PHE A 77 -2.910 2.436 -5.877 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -2.988 2.239 -4.493 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -3.825 1.804 -6.729 1.00 0.00 C ATOM 1163 CE1 PHE A 77 -3.981 1.410 -3.960 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -4.818 0.974 -6.194 1.00 0.00 C ATOM 1165 CZ PHE A 77 -4.896 0.778 -4.810 1.00 0.00 C ATOM 0 H PHE A 77 0.195 4.305 -7.525 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.240 2.068 -5.752 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.641 4.160 -5.776 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.184 3.764 -7.394 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.282 2.727 -3.837 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.765 1.957 -7.796 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.042 1.258 -2.893 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.524 0.485 -6.849 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.663 0.139 -4.398 1.00 0.00 H new ATOM 1175 N LEU A 78 -0.686 1.794 -9.017 1.00 0.00 N ATOM 1176 CA LEU A 78 -0.924 0.842 -10.109 1.00 0.00 C ATOM 1177 C LEU A 78 0.252 -0.121 -10.305 1.00 0.00 C ATOM 1178 O LEU A 78 0.046 -1.286 -10.652 1.00 0.00 O ATOM 1179 CB LEU A 78 -1.167 1.591 -11.419 1.00 0.00 C ATOM 1180 CG LEU A 78 -2.406 2.490 -11.434 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -2.119 3.741 -12.265 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -3.585 1.727 -12.044 1.00 0.00 C ATOM 0 H LEU A 78 -0.421 2.730 -9.323 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.803 0.260 -9.834 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.291 2.202 -11.638 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.256 0.862 -12.225 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.654 2.783 -10.414 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.001 4.381 -12.276 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.282 4.284 -11.827 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.869 3.451 -13.285 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.467 2.368 -12.054 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.339 1.432 -13.064 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.790 0.837 -11.448 1.00 0.00 H new ATOM 1194 N VAL A 79 1.481 0.367 -10.091 1.00 0.00 N ATOM 1195 CA VAL A 79 2.672 -0.483 -10.265 1.00 0.00 C ATOM 1196 C VAL A 79 2.599 -1.727 -9.375 1.00 0.00 C ATOM 1197 O VAL A 79 3.150 -2.770 -9.719 1.00 0.00 O ATOM 1198 CB VAL A 79 3.970 0.276 -9.954 1.00 0.00 C ATOM 1199 CG1 VAL A 79 4.231 1.317 -11.045 1.00 0.00 C ATOM 1200 CG2 VAL A 79 3.865 0.977 -8.599 1.00 0.00 C ATOM 0 H VAL A 79 1.678 1.325 -9.803 1.00 0.00 H new ATOM 0 HA VAL A 79 2.684 -0.784 -11.313 1.00 0.00 H new ATOM 0 HB VAL A 79 4.793 -0.438 -9.921 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.153 1.854 -10.822 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.326 0.818 -12.009 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.400 2.022 -11.082 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.793 1.511 -8.393 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.036 1.684 -8.619 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.691 0.236 -7.819 1.00 0.00 H new ATOM 1210 N MET A 80 1.908 -1.602 -8.232 1.00 0.00 N ATOM 1211 CA MET A 80 1.749 -2.720 -7.289 1.00 0.00 C ATOM 1212 C MET A 80 1.455 -4.041 -8.017 1.00 0.00 C ATOM 1213 O MET A 80 1.932 -5.101 -7.608 1.00 0.00 O ATOM 1214 CB MET A 80 0.598 -2.431 -6.321 1.00 0.00 C ATOM 1215 CG MET A 80 1.149 -1.854 -5.015 1.00 0.00 C ATOM 1216 SD MET A 80 -0.065 -2.084 -3.693 1.00 0.00 S ATOM 1217 CE MET A 80 -1.256 -0.840 -4.252 1.00 0.00 C ATOM 0 H MET A 80 1.451 -0.739 -7.938 1.00 0.00 H new ATOM 0 HA MET A 80 2.689 -2.820 -6.746 1.00 0.00 H new ATOM 0 HB2 MET A 80 -0.101 -1.728 -6.773 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.043 -3.347 -6.119 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.085 -2.348 -4.753 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.371 -0.794 -5.139 1.00 0.00 H new ATOM 0 HE1 MET A 80 -2.030 -0.712 -3.496 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.743 0.109 -4.411 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.712 -1.167 -5.186 1.00 0.00 H new ATOM 1227 N MET A 81 0.665 -3.961 -9.098 1.00 0.00 N ATOM 1228 CA MET A 81 0.309 -5.149 -9.885 1.00 0.00 C ATOM 1229 C MET A 81 1.557 -5.948 -10.274 1.00 0.00 C ATOM 1230 O MET A 81 1.703 -7.115 -9.902 1.00 0.00 O ATOM 1231 CB MET A 81 -0.435 -4.743 -11.166 1.00 0.00 C ATOM 1232 CG MET A 81 -1.921 -5.085 -11.037 1.00 0.00 C ATOM 1233 SD MET A 81 -2.419 -6.154 -12.412 1.00 0.00 S ATOM 1234 CE MET A 81 -1.502 -7.631 -11.906 1.00 0.00 C ATOM 0 H MET A 81 0.263 -3.090 -9.445 1.00 0.00 H new ATOM 0 HA MET A 81 -0.336 -5.770 -9.263 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.313 -3.675 -11.344 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.007 -5.260 -12.025 1.00 0.00 H new ATOM 0 HG2 MET A 81 -2.108 -5.586 -10.087 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.516 -4.172 -11.039 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.950 -8.512 -12.365 1.00 0.00 H new ATOM 0 HE2 MET A 81 -0.464 -7.542 -12.226 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.540 -7.729 -10.821 1.00 0.00 H new ATOM 1244 N VAL A 82 2.450 -5.306 -11.032 1.00 0.00 N ATOM 1245 CA VAL A 82 3.687 -5.960 -11.479 1.00 0.00 C ATOM 1246 C VAL A 82 4.731 -6.020 -10.359 1.00 0.00 C ATOM 1247 O VAL A 82 5.592 -6.899 -10.359 1.00 0.00 O ATOM 1248 CB VAL A 82 4.288 -5.229 -12.685 1.00 0.00 C ATOM 1249 CG1 VAL A 82 3.286 -5.235 -13.838 1.00 0.00 C ATOM 1250 CG2 VAL A 82 4.618 -3.783 -12.312 1.00 0.00 C ATOM 0 H VAL A 82 2.343 -4.342 -11.348 1.00 0.00 H new ATOM 0 HA VAL A 82 3.421 -6.977 -11.765 1.00 0.00 H new ATOM 0 HB VAL A 82 5.202 -5.739 -12.988 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.714 -4.715 -14.695 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.057 -6.264 -14.115 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.371 -4.730 -13.528 1.00 0.00 H new ATOM 0 HG21 VAL A 82 5.044 -3.273 -13.176 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.708 -3.271 -12.001 1.00 0.00 H new ATOM 0 HG23 VAL A 82 5.338 -3.774 -11.493 1.00 0.00 H new ATOM 1260 N ARG A 83 4.645 -5.085 -9.402 1.00 0.00 N ATOM 1261 CA ARG A 83 5.589 -5.057 -8.276 1.00 0.00 C ATOM 1262 C ARG A 83 5.483 -6.339 -7.441 1.00 0.00 C ATOM 1263 O ARG A 83 6.405 -6.687 -6.701 1.00 0.00 O ATOM 1264 CB ARG A 83 5.315 -3.853 -7.369 1.00 0.00 C ATOM 1265 CG ARG A 83 5.665 -2.558 -8.107 1.00 0.00 C ATOM 1266 CD ARG A 83 7.092 -2.130 -7.751 1.00 0.00 C ATOM 1267 NE ARG A 83 7.394 -0.811 -8.315 1.00 0.00 N ATOM 1268 CZ ARG A 83 8.652 -0.360 -8.423 1.00 0.00 C ATOM 1269 NH1 ARG A 83 9.667 -1.096 -8.028 1.00 0.00 N ATOM 1270 NH2 ARG A 83 8.872 0.828 -8.927 1.00 0.00 N ATOM 0 H ARG A 83 3.941 -4.347 -9.384 1.00 0.00 H new ATOM 0 HA ARG A 83 6.593 -4.979 -8.694 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.266 -3.841 -7.072 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.904 -3.933 -6.456 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.577 -2.706 -9.183 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.961 -1.772 -7.835 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.209 -2.103 -6.668 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.802 -2.864 -8.130 1.00 0.00 H new ATOM 0 HE ARG A 83 6.626 -0.220 -8.634 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.502 -2.022 -7.634 1.00 0.00 H new ATOM 0 HH12 ARG A 83 10.619 -0.741 -8.116 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.089 1.404 -9.235 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.827 1.177 -9.012 1.00 0.00 H new ATOM 1284 N CYS A 84 4.348 -7.042 -7.577 1.00 0.00 N ATOM 1285 CA CYS A 84 4.123 -8.290 -6.846 1.00 0.00 C ATOM 1286 C CYS A 84 4.956 -9.437 -7.433 1.00 0.00 C ATOM 1287 O CYS A 84 5.090 -10.490 -6.811 1.00 0.00 O ATOM 1288 CB CYS A 84 2.642 -8.678 -6.904 1.00 0.00 C ATOM 1289 SG CYS A 84 2.228 -9.732 -5.491 1.00 0.00 S ATOM 0 H CYS A 84 3.577 -6.766 -8.185 1.00 0.00 H new ATOM 0 HA CYS A 84 4.426 -8.123 -5.812 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.021 -7.782 -6.895 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.430 -9.203 -7.835 1.00 0.00 H new ATOM 0 HG CYS A 84 0.970 -10.056 -5.545 1.00 0.00 H new