USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 967 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 5 THR OG1 : rot 180:sc= 0.293 USER MOD Set 1.2: A 8 GLN : amide:sc= -0.126 K(o=0.17,f=-1.7!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 44:sc= 1.25 USER MOD Single : A 28 THR OG1 : rot -65:sc= 0.544 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00197 USER MOD Single : A 30 LYS NZ :NH3+ -152:sc= 1.23 (180deg=1.18) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.013 USER MOD Single : A 36 MET CE :methyl 148:sc= -0.0746 (180deg=-1.57) USER MOD Single : A 38 SER OG : rot 82:sc= 0.784 USER MOD Single : A 41 GLN : amide:sc= -0.0559 X(o=-0.056,f=-0.056) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc=0.000395 USER MOD Single : A 49 GLN : amide:sc= -0.01 X(o=-0.01,f=0) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.464 K(o=-0.46,f=-1.2) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0559 USER MOD Single : A 70 THR OG1 : rot 80:sc= 1.25 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 157:sc= -0.02 (180deg=-0.552) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.294 K(o=-0.29,f=-2.1) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.0186 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl 169:sc= -0.121 (180deg=-0.368) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.00141 USER MOD Single : A 111 ASN : amide:sc= 1.09 K(o=1.1,f=-0.0053) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -71:sc= 0.943 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -0.0656 K(o=-0.066,f=-2.2!) USER MOD Single : A 137 ASN : amide:sc= -0.675 K(o=-0.67,f=-6.9!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 144 MET CE :methyl -167:sc= -0.21 (180deg=-0.405) USER MOD Single : A 145 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -13.021 17.606 -0.821 1.00 0.00 N ATOM 59 CA THR A 5 -13.634 18.453 -1.795 1.00 0.00 C ATOM 60 C THR A 5 -14.877 17.761 -2.240 1.00 0.00 C ATOM 61 O THR A 5 -15.099 16.586 -1.955 1.00 0.00 O ATOM 62 CB THR A 5 -12.730 18.673 -2.972 1.00 0.00 C ATOM 63 OG1 THR A 5 -12.404 17.497 -3.698 1.00 0.00 O ATOM 64 CG2 THR A 5 -11.467 19.370 -2.438 1.00 0.00 C ATOM 0 HA THR A 5 -13.846 19.431 -1.364 1.00 0.00 H new ATOM 0 HB THR A 5 -13.257 19.287 -3.702 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.815 17.727 -4.446 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.776 19.552 -3.261 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.742 20.319 -1.979 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.987 18.733 -1.695 1.00 0.00 H new ATOM 72 N GLU A 6 -15.720 18.538 -2.944 1.00 0.00 N ATOM 73 CA GLU A 6 -16.843 17.922 -3.579 1.00 0.00 C ATOM 74 C GLU A 6 -16.596 16.995 -4.719 1.00 0.00 C ATOM 75 O GLU A 6 -17.412 16.100 -4.933 1.00 0.00 O ATOM 76 CB GLU A 6 -17.750 19.041 -4.118 1.00 0.00 C ATOM 77 CG GLU A 6 -18.483 19.790 -3.002 1.00 0.00 C ATOM 78 CD GLU A 6 -19.795 19.143 -2.581 1.00 0.00 C ATOM 79 OE1 GLU A 6 -20.578 18.908 -3.539 1.00 0.00 O ATOM 80 OE2 GLU A 6 -20.129 18.882 -1.394 1.00 0.00 O ATOM 0 H GLU A 6 -15.633 19.546 -3.071 1.00 0.00 H new ATOM 0 HA GLU A 6 -17.266 17.295 -2.794 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.149 19.747 -4.691 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.480 18.613 -4.805 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -17.828 19.858 -2.133 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -18.682 20.810 -3.332 1.00 0.00 H new ATOM 87 N GLU A 7 -15.401 17.057 -5.333 1.00 0.00 N ATOM 88 CA GLU A 7 -14.945 16.130 -6.321 1.00 0.00 C ATOM 89 C GLU A 7 -14.514 14.829 -5.736 1.00 0.00 C ATOM 90 O GLU A 7 -14.764 13.765 -6.301 1.00 0.00 O ATOM 91 CB GLU A 7 -13.759 16.571 -7.196 1.00 0.00 C ATOM 92 CG GLU A 7 -14.059 17.816 -8.033 1.00 0.00 C ATOM 93 CD GLU A 7 -15.105 17.577 -9.112 1.00 0.00 C ATOM 94 OE1 GLU A 7 -15.315 16.407 -9.530 1.00 0.00 O ATOM 95 OE2 GLU A 7 -15.707 18.575 -9.590 1.00 0.00 O ATOM 0 H GLU A 7 -14.720 17.789 -5.130 1.00 0.00 H new ATOM 0 HA GLU A 7 -15.838 16.055 -6.941 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.898 16.769 -6.557 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.481 15.753 -7.860 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.402 18.614 -7.375 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.137 18.162 -8.500 1.00 0.00 H new ATOM 102 N GLN A 8 -13.804 14.890 -4.596 1.00 0.00 N ATOM 103 CA GLN A 8 -13.431 13.745 -3.825 1.00 0.00 C ATOM 104 C GLN A 8 -14.550 13.062 -3.116 1.00 0.00 C ATOM 105 O GLN A 8 -14.444 11.858 -2.890 1.00 0.00 O ATOM 106 CB GLN A 8 -12.408 14.141 -2.747 1.00 0.00 C ATOM 107 CG GLN A 8 -11.034 14.443 -3.347 1.00 0.00 C ATOM 108 CD GLN A 8 -10.326 15.534 -2.555 1.00 0.00 C ATOM 109 OE1 GLN A 8 -10.738 15.889 -1.452 1.00 0.00 O ATOM 110 NE2 GLN A 8 -9.214 15.967 -3.207 1.00 0.00 N ATOM 0 H GLN A 8 -13.477 15.770 -4.196 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.030 13.050 -4.563 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.769 15.017 -2.208 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.317 13.335 -2.019 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.427 13.538 -3.351 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.146 14.756 -4.385 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -8.982 15.589 -4.126 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.612 16.670 -2.777 1.00 0.00 H new ATOM 119 N ILE A 9 -15.634 13.713 -2.655 1.00 0.00 N ATOM 120 CA ILE A 9 -16.857 13.107 -2.228 1.00 0.00 C ATOM 121 C ILE A 9 -17.637 12.503 -3.344 1.00 0.00 C ATOM 122 O ILE A 9 -18.007 11.331 -3.294 1.00 0.00 O ATOM 123 CB ILE A 9 -17.704 13.830 -1.223 1.00 0.00 C ATOM 124 CG1 ILE A 9 -17.495 13.448 0.252 1.00 0.00 C ATOM 125 CG2 ILE A 9 -19.221 13.741 -1.459 1.00 0.00 C ATOM 126 CD1 ILE A 9 -16.090 13.461 0.852 1.00 0.00 C ATOM 0 H ILE A 9 -15.656 14.730 -2.576 1.00 0.00 H new ATOM 0 HA ILE A 9 -16.477 12.292 -1.612 1.00 0.00 H new ATOM 0 HB ILE A 9 -17.337 14.842 -1.397 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -18.110 14.120 0.851 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -17.896 12.443 0.387 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -19.744 14.295 -0.680 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -19.463 14.168 -2.432 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -19.533 12.697 -1.433 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -16.139 13.164 1.900 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.455 12.763 0.307 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.672 14.465 0.778 1.00 0.00 H new ATOM 138 N ALA A 10 -17.763 13.226 -4.471 1.00 0.00 N ATOM 139 CA ALA A 10 -18.262 12.701 -5.705 1.00 0.00 C ATOM 140 C ALA A 10 -17.672 11.458 -6.276 1.00 0.00 C ATOM 141 O ALA A 10 -18.378 10.647 -6.873 1.00 0.00 O ATOM 142 CB ALA A 10 -18.235 13.757 -6.823 1.00 0.00 C ATOM 0 H ALA A 10 -17.508 14.212 -4.525 1.00 0.00 H new ATOM 0 HA ALA A 10 -19.262 12.414 -5.380 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -18.621 13.321 -7.744 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -18.854 14.607 -6.536 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -17.210 14.092 -6.982 1.00 0.00 H new ATOM 148 N GLU A 11 -16.381 11.232 -5.972 1.00 0.00 N ATOM 149 CA GLU A 11 -15.685 10.043 -6.355 1.00 0.00 C ATOM 150 C GLU A 11 -16.169 8.833 -5.633 1.00 0.00 C ATOM 151 O GLU A 11 -16.470 7.794 -6.220 1.00 0.00 O ATOM 152 CB GLU A 11 -14.184 10.349 -6.216 1.00 0.00 C ATOM 153 CG GLU A 11 -13.348 9.198 -6.782 1.00 0.00 C ATOM 154 CD GLU A 11 -11.845 9.406 -6.893 1.00 0.00 C ATOM 155 OE1 GLU A 11 -11.354 10.565 -6.944 1.00 0.00 O ATOM 156 OE2 GLU A 11 -11.148 8.371 -7.073 1.00 0.00 O ATOM 0 H GLU A 11 -15.807 11.892 -5.447 1.00 0.00 H new ATOM 0 HA GLU A 11 -15.887 9.774 -7.392 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.945 11.273 -6.742 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.934 10.506 -5.167 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.520 8.320 -6.159 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.729 8.964 -7.776 1.00 0.00 H new ATOM 163 N PHE A 12 -16.268 8.980 -4.300 1.00 0.00 N ATOM 164 CA PHE A 12 -16.623 7.911 -3.419 1.00 0.00 C ATOM 165 C PHE A 12 -18.053 7.514 -3.550 1.00 0.00 C ATOM 166 O PHE A 12 -18.468 6.374 -3.346 1.00 0.00 O ATOM 167 CB PHE A 12 -16.398 8.383 -1.972 1.00 0.00 C ATOM 168 CG PHE A 12 -14.942 8.445 -1.664 1.00 0.00 C ATOM 169 CD1 PHE A 12 -13.963 7.640 -2.196 1.00 0.00 C ATOM 170 CD2 PHE A 12 -14.557 9.488 -0.854 1.00 0.00 C ATOM 171 CE1 PHE A 12 -12.636 7.826 -1.889 1.00 0.00 C ATOM 172 CE2 PHE A 12 -13.221 9.682 -0.591 1.00 0.00 C ATOM 173 CZ PHE A 12 -12.232 8.858 -1.074 1.00 0.00 C ATOM 0 H PHE A 12 -16.097 9.865 -3.822 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.006 7.051 -3.677 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.848 9.366 -1.830 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -16.893 7.702 -1.280 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.243 6.844 -2.870 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -15.297 10.149 -0.428 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.898 7.150 -2.295 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.935 10.522 0.025 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.192 9.013 -0.826 1.00 0.00 H new ATOM 183 N LYS A 13 -18.965 8.460 -3.836 1.00 0.00 N ATOM 184 CA LYS A 13 -20.329 8.133 -4.114 1.00 0.00 C ATOM 185 C LYS A 13 -20.533 7.503 -5.449 1.00 0.00 C ATOM 186 O LYS A 13 -21.344 6.591 -5.596 1.00 0.00 O ATOM 187 CB LYS A 13 -21.197 9.401 -4.045 1.00 0.00 C ATOM 188 CG LYS A 13 -22.711 9.193 -4.101 1.00 0.00 C ATOM 189 CD LYS A 13 -23.466 10.514 -3.937 1.00 0.00 C ATOM 190 CE LYS A 13 -24.923 10.411 -3.482 1.00 0.00 C ATOM 191 NZ LYS A 13 -25.723 9.677 -4.487 1.00 0.00 N ATOM 0 H LYS A 13 -18.756 9.458 -3.875 1.00 0.00 H new ATOM 0 HA LYS A 13 -20.621 7.406 -3.356 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -20.959 9.928 -3.121 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -20.911 10.056 -4.868 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -22.981 8.734 -5.052 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -23.013 8.500 -3.316 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -22.926 11.130 -3.218 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -23.442 11.042 -4.890 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -24.976 9.900 -2.521 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -25.337 11.409 -3.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -26.710 9.614 -4.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -25.686 10.181 -5.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -25.336 8.719 -4.606 1.00 0.00 H new ATOM 205 N GLU A 14 -19.689 7.807 -6.451 1.00 0.00 N ATOM 206 CA GLU A 14 -19.699 7.037 -7.656 1.00 0.00 C ATOM 207 C GLU A 14 -19.217 5.655 -7.376 1.00 0.00 C ATOM 208 O GLU A 14 -19.825 4.660 -7.766 1.00 0.00 O ATOM 209 CB GLU A 14 -19.022 7.761 -8.832 1.00 0.00 C ATOM 210 CG GLU A 14 -19.320 7.091 -10.175 1.00 0.00 C ATOM 211 CD GLU A 14 -20.647 7.368 -10.867 1.00 0.00 C ATOM 212 OE1 GLU A 14 -21.690 7.288 -10.164 1.00 0.00 O ATOM 213 OE2 GLU A 14 -20.692 7.646 -12.095 1.00 0.00 O ATOM 0 H GLU A 14 -19.012 8.570 -6.430 1.00 0.00 H new ATOM 0 HA GLU A 14 -20.724 6.928 -8.010 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.361 8.797 -8.862 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -17.944 7.783 -8.671 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -18.525 7.373 -10.865 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -19.246 6.014 -10.027 1.00 0.00 H new ATOM 220 N ALA A 15 -18.176 5.542 -6.533 1.00 0.00 N ATOM 221 CA ALA A 15 -17.643 4.271 -6.150 1.00 0.00 C ATOM 222 C ALA A 15 -18.603 3.529 -5.286 1.00 0.00 C ATOM 223 O ALA A 15 -18.726 2.329 -5.530 1.00 0.00 O ATOM 224 CB ALA A 15 -16.350 4.319 -5.318 1.00 0.00 C ATOM 0 H ALA A 15 -17.699 6.339 -6.113 1.00 0.00 H new ATOM 0 HA ALA A 15 -17.444 3.796 -7.111 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.032 3.304 -5.081 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.568 4.821 -5.889 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.532 4.867 -4.393 1.00 0.00 H new ATOM 230 N PHE A 16 -19.395 4.168 -4.406 1.00 0.00 N ATOM 231 CA PHE A 16 -20.421 3.477 -3.690 1.00 0.00 C ATOM 232 C PHE A 16 -21.524 2.946 -4.541 1.00 0.00 C ATOM 233 O PHE A 16 -21.773 1.747 -4.428 1.00 0.00 O ATOM 234 CB PHE A 16 -21.029 4.501 -2.718 1.00 0.00 C ATOM 235 CG PHE A 16 -21.666 3.793 -1.572 1.00 0.00 C ATOM 236 CD1 PHE A 16 -22.899 3.214 -1.753 1.00 0.00 C ATOM 237 CD2 PHE A 16 -21.033 3.669 -0.357 1.00 0.00 C ATOM 238 CE1 PHE A 16 -23.516 2.616 -0.679 1.00 0.00 C ATOM 239 CE2 PHE A 16 -21.656 2.999 0.670 1.00 0.00 C ATOM 240 CZ PHE A 16 -22.952 2.550 0.573 1.00 0.00 C ATOM 0 H PHE A 16 -19.325 5.163 -4.191 1.00 0.00 H new ATOM 0 HA PHE A 16 -19.965 2.611 -3.210 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -20.254 5.176 -2.355 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -21.768 5.113 -3.235 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -23.375 3.228 -2.722 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -20.052 4.096 -0.210 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -24.492 2.177 -0.826 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -21.109 2.819 1.584 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.493 2.169 1.427 1.00 0.00 H new ATOM 250 N SER A 17 -22.052 3.790 -5.445 1.00 0.00 N ATOM 251 CA SER A 17 -23.121 3.354 -6.290 1.00 0.00 C ATOM 252 C SER A 17 -22.699 2.370 -7.326 1.00 0.00 C ATOM 253 O SER A 17 -23.549 1.699 -7.908 1.00 0.00 O ATOM 254 CB SER A 17 -23.922 4.460 -6.996 1.00 0.00 C ATOM 255 OG SER A 17 -24.682 5.167 -6.026 1.00 0.00 O ATOM 0 H SER A 17 -21.748 4.753 -5.590 1.00 0.00 H new ATOM 0 HA SER A 17 -23.780 2.883 -5.560 1.00 0.00 H new ATOM 0 HB2 SER A 17 -23.248 5.140 -7.516 1.00 0.00 H new ATOM 0 HB3 SER A 17 -24.581 4.027 -7.749 1.00 0.00 H new ATOM 0 HG SER A 17 -25.196 5.876 -6.466 1.00 0.00 H new ATOM 261 N LEU A 18 -21.396 2.196 -7.614 1.00 0.00 N ATOM 262 CA LEU A 18 -20.870 1.103 -8.371 1.00 0.00 C ATOM 263 C LEU A 18 -20.894 -0.211 -7.669 1.00 0.00 C ATOM 264 O LEU A 18 -21.035 -1.247 -8.318 1.00 0.00 O ATOM 265 CB LEU A 18 -19.427 1.419 -8.797 1.00 0.00 C ATOM 266 CG LEU A 18 -19.316 2.105 -10.170 1.00 0.00 C ATOM 267 CD1 LEU A 18 -17.970 2.848 -10.155 1.00 0.00 C ATOM 268 CD2 LEU A 18 -19.445 0.981 -11.212 1.00 0.00 C ATOM 0 H LEU A 18 -20.676 2.849 -7.304 1.00 0.00 H new ATOM 0 HA LEU A 18 -21.530 0.998 -9.232 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -18.969 2.060 -8.044 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -18.854 0.492 -8.818 1.00 0.00 H new ATOM 0 HG LEU A 18 -20.082 2.843 -10.409 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -17.827 3.360 -11.106 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -17.966 3.578 -9.346 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -17.161 2.133 -10.002 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -19.374 1.404 -12.214 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -18.644 0.256 -11.066 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -20.409 0.485 -11.095 1.00 0.00 H new ATOM 280 N PHE A 19 -20.775 -0.247 -6.330 1.00 0.00 N ATOM 281 CA PHE A 19 -21.029 -1.392 -5.511 1.00 0.00 C ATOM 282 C PHE A 19 -22.463 -1.716 -5.270 1.00 0.00 C ATOM 283 O PHE A 19 -22.856 -2.793 -5.716 1.00 0.00 O ATOM 284 CB PHE A 19 -20.333 -1.196 -4.154 1.00 0.00 C ATOM 285 CG PHE A 19 -18.843 -1.203 -4.151 1.00 0.00 C ATOM 286 CD1 PHE A 19 -18.132 -2.346 -4.431 1.00 0.00 C ATOM 287 CD2 PHE A 19 -18.212 -0.181 -3.482 1.00 0.00 C ATOM 288 CE1 PHE A 19 -16.830 -2.508 -4.018 1.00 0.00 C ATOM 289 CE2 PHE A 19 -16.881 -0.294 -3.159 1.00 0.00 C ATOM 290 CZ PHE A 19 -16.179 -1.443 -3.441 1.00 0.00 C ATOM 0 H PHE A 19 -20.486 0.568 -5.789 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.633 -2.238 -6.073 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -20.668 -0.247 -3.735 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -20.677 -1.981 -3.480 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -18.608 -3.138 -4.990 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -18.761 0.709 -3.211 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.328 -3.456 -4.145 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -16.379 0.531 -2.677 1.00 0.00 H new ATOM 0 HZ PHE A 19 -15.126 -1.508 -3.211 1.00 0.00 H new ATOM 300 N ASP A 20 -23.301 -0.758 -4.836 1.00 0.00 N ATOM 301 CA ASP A 20 -24.694 -0.854 -4.530 1.00 0.00 C ATOM 302 C ASP A 20 -25.472 -1.202 -5.752 1.00 0.00 C ATOM 303 O ASP A 20 -25.704 -0.469 -6.713 1.00 0.00 O ATOM 304 CB ASP A 20 -25.327 0.311 -3.750 1.00 0.00 C ATOM 305 CG ASP A 20 -26.605 -0.004 -2.986 1.00 0.00 C ATOM 306 OD1 ASP A 20 -27.066 -1.177 -3.021 1.00 0.00 O ATOM 307 OD2 ASP A 20 -27.111 0.959 -2.351 1.00 0.00 O ATOM 0 H ASP A 20 -22.959 0.191 -4.683 1.00 0.00 H new ATOM 0 HA ASP A 20 -24.750 -1.666 -3.805 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -24.590 0.689 -3.042 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.538 1.118 -4.452 1.00 0.00 H new ATOM 312 N LYS A 21 -25.892 -2.477 -5.821 1.00 0.00 N ATOM 313 CA LYS A 21 -26.580 -3.020 -6.951 1.00 0.00 C ATOM 314 C LYS A 21 -28.034 -2.698 -6.890 1.00 0.00 C ATOM 315 O LYS A 21 -28.672 -2.243 -7.838 1.00 0.00 O ATOM 316 CB LYS A 21 -26.422 -4.547 -6.859 1.00 0.00 C ATOM 317 CG LYS A 21 -27.131 -5.268 -8.006 1.00 0.00 C ATOM 318 CD LYS A 21 -26.408 -6.570 -8.357 1.00 0.00 C ATOM 319 CE LYS A 21 -26.410 -7.534 -7.169 1.00 0.00 C ATOM 320 NZ LYS A 21 -25.845 -8.842 -7.568 1.00 0.00 N ATOM 0 H LYS A 21 -25.749 -3.151 -5.069 1.00 0.00 H new ATOM 0 HA LYS A 21 -26.174 -2.608 -7.875 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -25.363 -4.803 -6.870 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -26.824 -4.896 -5.908 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -28.162 -5.483 -7.725 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -27.168 -4.620 -8.882 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -26.893 -7.040 -9.213 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -25.381 -6.352 -8.652 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -25.827 -7.113 -6.350 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -27.427 -7.667 -6.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -25.852 -9.487 -6.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -26.418 -9.248 -8.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -24.867 -8.712 -7.898 1.00 0.00 H new ATOM 334 N ASP A 22 -28.678 -3.062 -5.767 1.00 0.00 N ATOM 335 CA ASP A 22 -30.064 -2.882 -5.461 1.00 0.00 C ATOM 336 C ASP A 22 -30.488 -1.534 -4.991 1.00 0.00 C ATOM 337 O ASP A 22 -31.631 -1.087 -5.070 1.00 0.00 O ATOM 338 CB ASP A 22 -30.565 -4.065 -4.615 1.00 0.00 C ATOM 339 CG ASP A 22 -29.552 -4.372 -3.522 1.00 0.00 C ATOM 340 OD1 ASP A 22 -28.916 -3.512 -2.855 1.00 0.00 O ATOM 341 OD2 ASP A 22 -29.250 -5.592 -3.440 1.00 0.00 O ATOM 0 H ASP A 22 -28.182 -3.524 -5.005 1.00 0.00 H new ATOM 0 HA ASP A 22 -30.589 -2.897 -6.416 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -31.532 -3.826 -4.173 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -30.711 -4.941 -5.246 1.00 0.00 H new ATOM 346 N GLY A 23 -29.476 -0.784 -4.518 1.00 0.00 N ATOM 347 CA GLY A 23 -29.764 0.584 -4.215 1.00 0.00 C ATOM 348 C GLY A 23 -30.436 0.899 -2.923 1.00 0.00 C ATOM 349 O GLY A 23 -31.366 1.702 -2.853 1.00 0.00 O ATOM 0 H GLY A 23 -28.519 -1.096 -4.353 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -28.824 1.135 -4.243 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -30.388 0.977 -5.018 1.00 0.00 H new ATOM 353 N ASP A 24 -29.972 0.314 -1.804 1.00 0.00 N ATOM 354 CA ASP A 24 -30.510 0.470 -0.488 1.00 0.00 C ATOM 355 C ASP A 24 -29.721 1.335 0.433 1.00 0.00 C ATOM 356 O ASP A 24 -30.109 1.666 1.552 1.00 0.00 O ATOM 357 CB ASP A 24 -30.686 -0.919 0.149 1.00 0.00 C ATOM 358 CG ASP A 24 -29.368 -1.594 0.500 1.00 0.00 C ATOM 359 OD1 ASP A 24 -28.437 -1.594 -0.349 1.00 0.00 O ATOM 360 OD2 ASP A 24 -29.230 -2.129 1.632 1.00 0.00 O ATOM 0 H ASP A 24 -29.166 -0.311 -1.821 1.00 0.00 H new ATOM 0 HA ASP A 24 -31.460 0.988 -0.623 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -31.288 -0.823 1.052 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -31.241 -1.558 -0.538 1.00 0.00 H new ATOM 365 N GLY A 25 -28.540 1.799 -0.015 1.00 0.00 N ATOM 366 CA GLY A 25 -27.542 2.575 0.653 1.00 0.00 C ATOM 367 C GLY A 25 -26.660 1.725 1.502 1.00 0.00 C ATOM 368 O GLY A 25 -25.915 2.252 2.327 1.00 0.00 O ATOM 0 H GLY A 25 -28.252 1.601 -0.973 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -26.938 3.103 -0.084 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -28.023 3.332 1.272 1.00 0.00 H new ATOM 372 N THR A 26 -26.643 0.390 1.343 1.00 0.00 N ATOM 373 CA THR A 26 -25.762 -0.467 2.075 1.00 0.00 C ATOM 374 C THR A 26 -24.960 -1.290 1.126 1.00 0.00 C ATOM 375 O THR A 26 -25.435 -1.708 0.071 1.00 0.00 O ATOM 376 CB THR A 26 -26.322 -1.164 3.279 1.00 0.00 C ATOM 377 OG1 THR A 26 -27.728 -1.172 3.475 1.00 0.00 O ATOM 378 CG2 THR A 26 -25.587 -0.552 4.483 1.00 0.00 C ATOM 0 H THR A 26 -27.254 -0.105 0.693 1.00 0.00 H new ATOM 0 HA THR A 26 -25.065 0.179 2.609 1.00 0.00 H new ATOM 0 HB THR A 26 -26.149 -2.230 3.132 1.00 0.00 H new ATOM 0 HG1 THR A 26 -28.176 -1.365 2.625 1.00 0.00 H new ATOM 0 HG21 THR A 26 -25.946 -1.015 5.402 1.00 0.00 H new ATOM 0 HG22 THR A 26 -24.516 -0.727 4.383 1.00 0.00 H new ATOM 0 HG23 THR A 26 -25.777 0.521 4.519 1.00 0.00 H new ATOM 386 N ILE A 27 -23.695 -1.621 1.440 1.00 0.00 N ATOM 387 CA ILE A 27 -22.848 -2.506 0.703 1.00 0.00 C ATOM 388 C ILE A 27 -22.871 -3.784 1.469 1.00 0.00 C ATOM 389 O ILE A 27 -22.736 -3.864 2.689 1.00 0.00 O ATOM 390 CB ILE A 27 -21.419 -2.130 0.444 1.00 0.00 C ATOM 391 CG1 ILE A 27 -21.248 -0.609 0.292 1.00 0.00 C ATOM 392 CG2 ILE A 27 -20.969 -2.863 -0.830 1.00 0.00 C ATOM 393 CD1 ILE A 27 -19.828 -0.143 -0.029 1.00 0.00 C ATOM 0 H ILE A 27 -23.233 -1.243 2.267 1.00 0.00 H new ATOM 0 HA ILE A 27 -23.255 -2.520 -0.308 1.00 0.00 H new ATOM 0 HB ILE A 27 -20.802 -2.424 1.293 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -21.914 -0.262 -0.497 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -21.571 -0.129 1.216 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -19.931 -2.611 -1.047 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -21.057 -3.939 -0.681 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -21.599 -2.559 -1.666 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -19.813 0.943 -0.116 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -19.154 -0.453 0.770 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -19.503 -0.587 -0.970 1.00 0.00 H new ATOM 405 N THR A 28 -23.114 -4.870 0.713 1.00 0.00 N ATOM 406 CA THR A 28 -23.005 -6.256 1.046 1.00 0.00 C ATOM 407 C THR A 28 -21.699 -6.842 0.632 1.00 0.00 C ATOM 408 O THR A 28 -20.877 -6.318 -0.119 1.00 0.00 O ATOM 409 CB THR A 28 -24.171 -7.109 0.641 1.00 0.00 C ATOM 410 OG1 THR A 28 -24.365 -7.046 -0.764 1.00 0.00 O ATOM 411 CG2 THR A 28 -25.513 -6.596 1.189 1.00 0.00 C ATOM 0 H THR A 28 -23.426 -4.757 -0.252 1.00 0.00 H new ATOM 0 HA THR A 28 -23.037 -6.267 2.135 1.00 0.00 H new ATOM 0 HB THR A 28 -23.928 -8.101 1.022 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.617 -6.134 -1.019 1.00 0.00 H new ATOM 0 HG21 THR A 28 -26.316 -7.256 0.861 1.00 0.00 H new ATOM 0 HG22 THR A 28 -25.479 -6.580 2.278 1.00 0.00 H new ATOM 0 HG23 THR A 28 -25.697 -5.588 0.817 1.00 0.00 H new ATOM 419 N THR A 29 -21.495 -8.106 1.042 1.00 0.00 N ATOM 420 CA THR A 29 -20.425 -8.997 0.717 1.00 0.00 C ATOM 421 C THR A 29 -20.387 -9.223 -0.755 1.00 0.00 C ATOM 422 O THR A 29 -19.286 -9.184 -1.303 1.00 0.00 O ATOM 423 CB THR A 29 -20.582 -10.314 1.419 1.00 0.00 C ATOM 424 OG1 THR A 29 -21.929 -10.738 1.273 1.00 0.00 O ATOM 425 CG2 THR A 29 -20.279 -10.099 2.911 1.00 0.00 C ATOM 0 H THR A 29 -22.159 -8.552 1.675 1.00 0.00 H new ATOM 0 HA THR A 29 -19.493 -8.539 1.047 1.00 0.00 H new ATOM 0 HB THR A 29 -19.908 -11.063 1.003 1.00 0.00 H new ATOM 0 HG1 THR A 29 -22.052 -11.599 1.724 1.00 0.00 H new ATOM 0 HG21 THR A 29 -20.387 -11.044 3.444 1.00 0.00 H new ATOM 0 HG22 THR A 29 -19.259 -9.732 3.026 1.00 0.00 H new ATOM 0 HG23 THR A 29 -20.976 -9.369 3.322 1.00 0.00 H new ATOM 433 N LYS A 30 -21.527 -9.607 -1.356 1.00 0.00 N ATOM 434 CA LYS A 30 -21.752 -9.953 -2.725 1.00 0.00 C ATOM 435 C LYS A 30 -21.411 -8.797 -3.601 1.00 0.00 C ATOM 436 O LYS A 30 -20.806 -8.948 -4.661 1.00 0.00 O ATOM 437 CB LYS A 30 -23.232 -10.323 -2.917 1.00 0.00 C ATOM 438 CG LYS A 30 -23.811 -11.323 -1.914 1.00 0.00 C ATOM 439 CD LYS A 30 -23.075 -12.660 -1.808 1.00 0.00 C ATOM 440 CE LYS A 30 -23.485 -13.443 -0.559 1.00 0.00 C ATOM 441 NZ LYS A 30 -22.776 -14.742 -0.533 1.00 0.00 N ATOM 0 H LYS A 30 -22.389 -9.683 -0.816 1.00 0.00 H new ATOM 0 HA LYS A 30 -21.123 -10.802 -2.992 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -23.823 -9.408 -2.870 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -23.356 -10.732 -3.920 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -23.822 -10.856 -0.929 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -24.848 -11.521 -2.184 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -23.281 -13.259 -2.695 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -22.000 -12.481 -1.787 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -23.247 -12.869 0.337 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -24.563 -13.605 -0.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -23.349 -15.440 -0.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -22.622 -15.073 -1.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -21.859 -14.627 -0.057 1.00 0.00 H new ATOM 455 N GLU A 31 -21.804 -7.580 -3.185 1.00 0.00 N ATOM 456 CA GLU A 31 -21.583 -6.326 -3.836 1.00 0.00 C ATOM 457 C GLU A 31 -20.145 -5.940 -3.785 1.00 0.00 C ATOM 458 O GLU A 31 -19.565 -5.545 -4.795 1.00 0.00 O ATOM 459 CB GLU A 31 -22.458 -5.220 -3.221 1.00 0.00 C ATOM 460 CG GLU A 31 -23.908 -5.486 -3.631 1.00 0.00 C ATOM 461 CD GLU A 31 -24.835 -4.528 -2.897 1.00 0.00 C ATOM 462 OE1 GLU A 31 -24.742 -4.320 -1.657 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.761 -3.991 -3.563 1.00 0.00 O ATOM 0 H GLU A 31 -22.323 -7.466 -2.314 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.868 -6.445 -4.881 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.363 -5.217 -2.135 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.136 -4.239 -3.571 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -24.020 -5.361 -4.708 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -24.178 -6.516 -3.400 1.00 0.00 H new ATOM 470 N LEU A 32 -19.445 -6.184 -2.663 1.00 0.00 N ATOM 471 CA LEU A 32 -18.029 -5.991 -2.701 1.00 0.00 C ATOM 472 C LEU A 32 -17.423 -7.012 -3.600 1.00 0.00 C ATOM 473 O LEU A 32 -16.575 -6.669 -4.422 1.00 0.00 O ATOM 474 CB LEU A 32 -17.331 -6.182 -1.344 1.00 0.00 C ATOM 475 CG LEU A 32 -17.375 -5.093 -0.259 1.00 0.00 C ATOM 476 CD1 LEU A 32 -16.479 -5.519 0.916 1.00 0.00 C ATOM 477 CD2 LEU A 32 -16.966 -3.700 -0.768 1.00 0.00 C ATOM 0 H LEU A 32 -19.833 -6.498 -1.773 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.888 -4.963 -3.033 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.743 -7.088 -0.900 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.280 -6.379 -1.553 1.00 0.00 H new ATOM 0 HG LEU A 32 -18.412 -4.999 0.063 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -16.505 -4.752 1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -16.841 -6.461 1.327 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.455 -5.646 0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -17.021 -2.983 0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.946 -3.737 -1.150 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -17.641 -3.391 -1.566 1.00 0.00 H new ATOM 489 N GLY A 33 -17.846 -8.287 -3.528 1.00 0.00 N ATOM 490 CA GLY A 33 -17.508 -9.405 -4.352 1.00 0.00 C ATOM 491 C GLY A 33 -17.533 -9.064 -5.802 1.00 0.00 C ATOM 492 O GLY A 33 -16.618 -9.454 -6.525 1.00 0.00 O ATOM 0 H GLY A 33 -18.506 -8.563 -2.801 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.515 -9.766 -4.083 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -18.206 -10.220 -4.160 1.00 0.00 H new ATOM 496 N THR A 34 -18.549 -8.307 -6.252 1.00 0.00 N ATOM 497 CA THR A 34 -18.661 -7.899 -7.618 1.00 0.00 C ATOM 498 C THR A 34 -17.536 -7.132 -8.222 1.00 0.00 C ATOM 499 O THR A 34 -17.021 -7.551 -9.258 1.00 0.00 O ATOM 500 CB THR A 34 -19.911 -7.129 -7.925 1.00 0.00 C ATOM 501 OG1 THR A 34 -21.015 -7.534 -7.129 1.00 0.00 O ATOM 502 CG2 THR A 34 -20.362 -7.375 -9.375 1.00 0.00 C ATOM 0 H THR A 34 -19.307 -7.972 -5.657 1.00 0.00 H new ATOM 0 HA THR A 34 -18.661 -8.888 -8.077 1.00 0.00 H new ATOM 0 HB THR A 34 -19.653 -6.088 -7.732 1.00 0.00 H new ATOM 0 HG1 THR A 34 -21.803 -7.001 -7.367 1.00 0.00 H new ATOM 0 HG21 THR A 34 -21.270 -6.807 -9.575 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.576 -7.056 -10.060 1.00 0.00 H new ATOM 0 HG23 THR A 34 -20.560 -8.437 -9.519 1.00 0.00 H new ATOM 510 N VAL A 35 -17.052 -6.063 -7.564 1.00 0.00 N ATOM 511 CA VAL A 35 -16.009 -5.218 -8.056 1.00 0.00 C ATOM 512 C VAL A 35 -14.719 -5.963 -8.078 1.00 0.00 C ATOM 513 O VAL A 35 -14.065 -5.938 -9.120 1.00 0.00 O ATOM 514 CB VAL A 35 -15.820 -3.884 -7.397 1.00 0.00 C ATOM 515 CG1 VAL A 35 -14.491 -3.166 -7.683 1.00 0.00 C ATOM 516 CG2 VAL A 35 -16.923 -2.932 -7.890 1.00 0.00 C ATOM 0 H VAL A 35 -17.403 -5.776 -6.650 1.00 0.00 H new ATOM 0 HA VAL A 35 -16.351 -4.955 -9.057 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.844 -4.106 -6.330 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.470 -2.214 -7.153 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.662 -3.787 -7.345 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -14.397 -2.987 -8.754 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -16.799 -1.957 -7.419 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -16.853 -2.824 -8.972 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -17.899 -3.340 -7.628 1.00 0.00 H new ATOM 526 N MET A 36 -14.370 -6.612 -6.953 1.00 0.00 N ATOM 527 CA MET A 36 -13.262 -7.511 -6.852 1.00 0.00 C ATOM 528 C MET A 36 -13.130 -8.513 -7.947 1.00 0.00 C ATOM 529 O MET A 36 -12.143 -8.685 -8.660 1.00 0.00 O ATOM 530 CB MET A 36 -13.304 -8.245 -5.501 1.00 0.00 C ATOM 531 CG MET A 36 -13.126 -7.284 -4.325 1.00 0.00 C ATOM 532 SD MET A 36 -13.322 -8.176 -2.754 1.00 0.00 S ATOM 533 CE MET A 36 -13.413 -6.651 -1.772 1.00 0.00 C ATOM 0 H MET A 36 -14.881 -6.506 -6.077 1.00 0.00 H new ATOM 0 HA MET A 36 -12.385 -6.870 -6.942 1.00 0.00 H new ATOM 0 HB2 MET A 36 -14.255 -8.768 -5.402 1.00 0.00 H new ATOM 0 HB3 MET A 36 -12.519 -9.001 -5.474 1.00 0.00 H new ATOM 0 HG2 MET A 36 -12.140 -6.822 -4.369 1.00 0.00 H new ATOM 0 HG3 MET A 36 -13.858 -6.479 -4.389 1.00 0.00 H new ATOM 0 HE1 MET A 36 -14.064 -6.810 -0.912 1.00 0.00 H new ATOM 0 HE2 MET A 36 -12.415 -6.380 -1.427 1.00 0.00 H new ATOM 0 HE3 MET A 36 -13.815 -5.846 -2.387 1.00 0.00 H new ATOM 543 N ARG A 37 -14.264 -9.143 -8.302 1.00 0.00 N ATOM 544 CA ARG A 37 -14.401 -10.083 -9.371 1.00 0.00 C ATOM 545 C ARG A 37 -14.208 -9.429 -10.695 1.00 0.00 C ATOM 546 O ARG A 37 -13.535 -9.954 -11.581 1.00 0.00 O ATOM 547 CB ARG A 37 -15.670 -10.949 -9.445 1.00 0.00 C ATOM 548 CG ARG A 37 -15.469 -12.291 -8.738 1.00 0.00 C ATOM 549 CD ARG A 37 -14.878 -12.234 -7.328 1.00 0.00 C ATOM 550 NE ARG A 37 -15.158 -13.497 -6.590 1.00 0.00 N ATOM 551 CZ ARG A 37 -16.112 -13.775 -5.654 1.00 0.00 C ATOM 552 NH1 ARG A 37 -17.071 -12.859 -5.331 1.00 0.00 N ATOM 553 NH2 ARG A 37 -15.974 -14.945 -4.964 1.00 0.00 N ATOM 0 H ARG A 37 -15.143 -8.985 -7.809 1.00 0.00 H new ATOM 0 HA ARG A 37 -13.608 -10.788 -9.120 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -16.504 -10.416 -8.988 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -15.935 -11.121 -10.488 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -16.433 -12.797 -8.684 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -14.818 -12.909 -9.357 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.802 -12.071 -7.385 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -15.300 -11.388 -6.785 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.541 -14.276 -6.820 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -17.083 -11.949 -5.792 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -17.776 -13.085 -4.629 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -15.186 -15.562 -5.159 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -16.659 -15.202 -4.253 1.00 0.00 H new ATOM 567 N SER A 38 -14.781 -8.235 -10.931 1.00 0.00 N ATOM 568 CA SER A 38 -14.850 -7.578 -12.200 1.00 0.00 C ATOM 569 C SER A 38 -13.536 -6.955 -12.524 1.00 0.00 C ATOM 570 O SER A 38 -13.158 -6.758 -13.678 1.00 0.00 O ATOM 571 CB SER A 38 -15.897 -6.455 -12.108 1.00 0.00 C ATOM 572 OG SER A 38 -17.164 -7.094 -12.056 1.00 0.00 O ATOM 0 H SER A 38 -15.224 -7.695 -10.188 1.00 0.00 H new ATOM 0 HA SER A 38 -15.113 -8.304 -12.969 1.00 0.00 H new ATOM 0 HB2 SER A 38 -15.734 -5.843 -11.221 1.00 0.00 H new ATOM 0 HB3 SER A 38 -15.832 -5.791 -12.970 1.00 0.00 H new ATOM 0 HG SER A 38 -17.349 -7.379 -11.137 1.00 0.00 H new ATOM 578 N LEU A 39 -12.722 -6.638 -11.501 1.00 0.00 N ATOM 579 CA LEU A 39 -11.349 -6.304 -11.722 1.00 0.00 C ATOM 580 C LEU A 39 -10.414 -7.439 -11.961 1.00 0.00 C ATOM 581 O LEU A 39 -9.261 -7.269 -12.355 1.00 0.00 O ATOM 582 CB LEU A 39 -10.777 -5.369 -10.643 1.00 0.00 C ATOM 583 CG LEU A 39 -11.548 -4.046 -10.508 1.00 0.00 C ATOM 584 CD1 LEU A 39 -10.971 -3.314 -9.285 1.00 0.00 C ATOM 585 CD2 LEU A 39 -11.413 -3.086 -11.702 1.00 0.00 C ATOM 0 H LEU A 39 -13.013 -6.613 -10.524 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.403 -5.774 -12.673 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.787 -5.886 -9.683 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.735 -5.151 -10.877 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.603 -4.308 -10.433 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.491 -2.365 -9.150 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.104 -3.930 -8.396 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.909 -3.127 -9.441 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.993 -2.183 -11.510 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.365 -2.822 -11.840 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.786 -3.572 -12.604 1.00 0.00 H new ATOM 597 N GLY A 40 -10.864 -8.676 -11.683 1.00 0.00 N ATOM 598 CA GLY A 40 -10.214 -9.919 -11.962 1.00 0.00 C ATOM 599 C GLY A 40 -9.575 -10.535 -10.765 1.00 0.00 C ATOM 600 O GLY A 40 -8.611 -11.246 -11.046 1.00 0.00 O ATOM 0 H GLY A 40 -11.763 -8.816 -11.222 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.943 -10.617 -12.375 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.455 -9.760 -12.728 1.00 0.00 H new ATOM 604 N GLN A 41 -10.076 -10.416 -9.523 1.00 0.00 N ATOM 605 CA GLN A 41 -9.492 -11.077 -8.397 1.00 0.00 C ATOM 606 C GLN A 41 -10.319 -12.245 -7.983 1.00 0.00 C ATOM 607 O GLN A 41 -11.299 -12.646 -8.609 1.00 0.00 O ATOM 608 CB GLN A 41 -9.499 -10.082 -7.224 1.00 0.00 C ATOM 609 CG GLN A 41 -8.482 -8.941 -7.281 1.00 0.00 C ATOM 610 CD GLN A 41 -7.072 -9.266 -7.751 1.00 0.00 C ATOM 611 OE1 GLN A 41 -6.487 -10.183 -7.176 1.00 0.00 O ATOM 612 NE2 GLN A 41 -6.473 -8.535 -8.729 1.00 0.00 N ATOM 0 H GLN A 41 -10.897 -9.854 -9.297 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.489 -11.414 -8.659 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.495 -9.646 -7.155 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.331 -10.641 -6.303 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.883 -8.168 -7.937 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.410 -8.507 -6.284 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.984 -7.781 -9.187 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.513 -8.741 -9.004 1.00 0.00 H new ATOM 621 N ASN A 42 -9.837 -12.931 -6.931 1.00 0.00 N ATOM 622 CA ASN A 42 -10.412 -14.199 -6.605 1.00 0.00 C ATOM 623 C ASN A 42 -10.562 -14.299 -5.126 1.00 0.00 C ATOM 624 O ASN A 42 -9.815 -15.013 -4.460 1.00 0.00 O ATOM 625 CB ASN A 42 -9.636 -15.416 -7.136 1.00 0.00 C ATOM 626 CG ASN A 42 -9.565 -15.549 -8.650 1.00 0.00 C ATOM 627 OD1 ASN A 42 -10.489 -16.017 -9.313 1.00 0.00 O ATOM 628 ND2 ASN A 42 -8.357 -15.279 -9.214 1.00 0.00 N ATOM 0 H ASN A 42 -9.077 -12.623 -6.325 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.378 -14.233 -7.108 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.619 -15.373 -6.746 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.094 -16.319 -6.732 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.204 -15.465 -10.205 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.604 -14.891 -8.646 1.00 0.00 H new ATOM 635 N PRO A 43 -11.479 -13.631 -4.490 1.00 0.00 N ATOM 636 CA PRO A 43 -11.753 -13.892 -3.107 1.00 0.00 C ATOM 637 C PRO A 43 -12.595 -15.111 -2.953 1.00 0.00 C ATOM 638 O PRO A 43 -13.337 -15.489 -3.859 1.00 0.00 O ATOM 639 CB PRO A 43 -12.520 -12.668 -2.612 1.00 0.00 C ATOM 640 CG PRO A 43 -13.077 -12.019 -3.889 1.00 0.00 C ATOM 641 CD PRO A 43 -11.923 -12.297 -4.865 1.00 0.00 C ATOM 0 HA PRO A 43 -10.835 -14.065 -2.545 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -13.321 -12.951 -1.929 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -11.867 -11.983 -2.071 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -14.013 -12.475 -4.212 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -13.268 -10.953 -3.764 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -12.256 -12.261 -5.902 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -11.124 -11.563 -4.762 1.00 0.00 H new ATOM 649 N THR A 44 -12.605 -15.744 -1.767 1.00 0.00 N ATOM 650 CA THR A 44 -13.627 -16.650 -1.344 1.00 0.00 C ATOM 651 C THR A 44 -14.632 -15.893 -0.546 1.00 0.00 C ATOM 652 O THR A 44 -14.402 -14.756 -0.136 1.00 0.00 O ATOM 653 CB THR A 44 -13.128 -17.783 -0.496 1.00 0.00 C ATOM 654 OG1 THR A 44 -12.519 -17.381 0.723 1.00 0.00 O ATOM 655 CG2 THR A 44 -12.219 -18.621 -1.411 1.00 0.00 C ATOM 0 H THR A 44 -11.869 -15.619 -1.072 1.00 0.00 H new ATOM 0 HA THR A 44 -14.047 -17.086 -2.251 1.00 0.00 H new ATOM 0 HB THR A 44 -13.962 -18.382 -0.129 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.223 -18.173 1.218 1.00 0.00 H new ATOM 0 HG21 THR A 44 -11.820 -19.467 -0.852 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.796 -18.987 -2.260 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.396 -18.004 -1.770 1.00 0.00 H new ATOM 663 N GLU A 45 -15.741 -16.588 -0.236 1.00 0.00 N ATOM 664 CA GLU A 45 -16.576 -16.248 0.874 1.00 0.00 C ATOM 665 C GLU A 45 -15.955 -15.915 2.188 1.00 0.00 C ATOM 666 O GLU A 45 -16.413 -15.067 2.953 1.00 0.00 O ATOM 667 CB GLU A 45 -17.681 -17.297 1.080 1.00 0.00 C ATOM 668 CG GLU A 45 -19.100 -16.741 1.219 1.00 0.00 C ATOM 669 CD GLU A 45 -19.611 -16.118 -0.071 1.00 0.00 C ATOM 670 OE1 GLU A 45 -19.464 -16.692 -1.183 1.00 0.00 O ATOM 671 OE2 GLU A 45 -20.186 -15.000 0.020 1.00 0.00 O ATOM 0 H GLU A 45 -16.063 -17.399 -0.764 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.965 -15.285 0.544 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.662 -17.990 0.238 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.447 -17.875 1.974 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -19.773 -17.543 1.523 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -19.118 -15.993 2.012 1.00 0.00 H new ATOM 678 N ALA A 46 -14.926 -16.651 2.644 1.00 0.00 N ATOM 679 CA ALA A 46 -14.392 -16.449 3.955 1.00 0.00 C ATOM 680 C ALA A 46 -13.716 -15.125 4.049 1.00 0.00 C ATOM 681 O ALA A 46 -13.739 -14.331 4.988 1.00 0.00 O ATOM 682 CB ALA A 46 -13.466 -17.601 4.381 1.00 0.00 C ATOM 0 H ALA A 46 -14.464 -17.385 2.106 1.00 0.00 H new ATOM 0 HA ALA A 46 -15.224 -16.447 4.659 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.082 -17.408 5.383 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.025 -18.536 4.381 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.633 -17.676 3.682 1.00 0.00 H new ATOM 688 N GLU A 47 -12.952 -14.804 2.990 1.00 0.00 N ATOM 689 CA GLU A 47 -12.215 -13.590 2.822 1.00 0.00 C ATOM 690 C GLU A 47 -13.073 -12.373 2.763 1.00 0.00 C ATOM 691 O GLU A 47 -12.840 -11.401 3.480 1.00 0.00 O ATOM 692 CB GLU A 47 -11.393 -13.750 1.532 1.00 0.00 C ATOM 693 CG GLU A 47 -10.280 -14.796 1.623 1.00 0.00 C ATOM 694 CD GLU A 47 -9.296 -14.806 0.461 1.00 0.00 C ATOM 695 OE1 GLU A 47 -9.319 -13.956 -0.469 1.00 0.00 O ATOM 696 OE2 GLU A 47 -8.382 -15.673 0.464 1.00 0.00 O ATOM 0 H GLU A 47 -12.842 -15.437 2.197 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.578 -13.434 3.693 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.065 -14.021 0.718 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.951 -12.787 1.274 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.724 -14.631 2.546 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.737 -15.783 1.698 1.00 0.00 H new ATOM 703 N LEU A 48 -14.188 -12.452 2.014 1.00 0.00 N ATOM 704 CA LEU A 48 -15.284 -11.535 1.968 1.00 0.00 C ATOM 705 C LEU A 48 -15.925 -11.293 3.291 1.00 0.00 C ATOM 706 O LEU A 48 -16.255 -10.164 3.651 1.00 0.00 O ATOM 707 CB LEU A 48 -16.405 -11.949 1.000 1.00 0.00 C ATOM 708 CG LEU A 48 -16.015 -11.803 -0.481 1.00 0.00 C ATOM 709 CD1 LEU A 48 -16.999 -12.684 -1.271 1.00 0.00 C ATOM 710 CD2 LEU A 48 -15.938 -10.351 -0.980 1.00 0.00 C ATOM 0 H LEU A 48 -14.333 -13.237 1.379 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.805 -10.622 1.613 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -16.680 -12.985 1.196 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -17.289 -11.342 1.197 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.990 -12.140 -0.633 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -16.771 -12.621 -2.335 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -16.907 -13.719 -0.941 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -18.018 -12.337 -1.097 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -15.657 -10.343 -2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.910 -9.873 -0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -15.192 -9.806 -0.401 1.00 0.00 H new ATOM 722 N GLN A 49 -16.207 -12.302 4.134 1.00 0.00 N ATOM 723 CA GLN A 49 -16.761 -12.091 5.436 1.00 0.00 C ATOM 724 C GLN A 49 -15.855 -11.469 6.442 1.00 0.00 C ATOM 725 O GLN A 49 -16.126 -10.516 7.171 1.00 0.00 O ATOM 726 CB GLN A 49 -17.449 -13.375 5.930 1.00 0.00 C ATOM 727 CG GLN A 49 -18.414 -13.320 7.116 1.00 0.00 C ATOM 728 CD GLN A 49 -19.070 -14.686 7.256 1.00 0.00 C ATOM 729 OE1 GLN A 49 -18.446 -15.742 7.358 1.00 0.00 O ATOM 730 NE2 GLN A 49 -20.421 -14.651 7.104 1.00 0.00 N ATOM 0 H GLN A 49 -16.047 -13.284 3.907 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.516 -11.313 5.317 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -17.997 -13.794 5.086 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -16.663 -14.086 6.185 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -17.880 -13.059 8.030 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -19.169 -12.550 6.957 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -20.902 -13.755 7.023 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -20.953 -15.521 7.071 1.00 0.00 H new ATOM 739 N ASP A 50 -14.584 -11.891 6.327 1.00 0.00 N ATOM 740 CA ASP A 50 -13.504 -11.324 7.074 1.00 0.00 C ATOM 741 C ASP A 50 -13.372 -9.857 6.853 1.00 0.00 C ATOM 742 O ASP A 50 -13.424 -9.119 7.836 1.00 0.00 O ATOM 743 CB ASP A 50 -12.206 -12.081 6.745 1.00 0.00 C ATOM 744 CG ASP A 50 -11.248 -11.982 7.923 1.00 0.00 C ATOM 745 OD1 ASP A 50 -11.486 -12.797 8.854 1.00 0.00 O ATOM 746 OD2 ASP A 50 -10.401 -11.053 8.002 1.00 0.00 O ATOM 0 H ASP A 50 -14.299 -12.644 5.700 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.717 -11.440 8.137 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.427 -13.126 6.529 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.744 -11.662 5.851 1.00 0.00 H new ATOM 751 N MET A 51 -13.434 -9.350 5.609 1.00 0.00 N ATOM 752 CA MET A 51 -13.484 -7.938 5.390 1.00 0.00 C ATOM 753 C MET A 51 -14.717 -7.270 5.894 1.00 0.00 C ATOM 754 O MET A 51 -14.650 -6.238 6.561 1.00 0.00 O ATOM 755 CB MET A 51 -13.509 -7.720 3.868 1.00 0.00 C ATOM 756 CG MET A 51 -12.239 -8.053 3.082 1.00 0.00 C ATOM 757 SD MET A 51 -12.377 -8.173 1.273 1.00 0.00 S ATOM 758 CE MET A 51 -10.718 -8.789 0.866 1.00 0.00 C ATOM 0 H MET A 51 -13.449 -9.914 4.759 1.00 0.00 H new ATOM 0 HA MET A 51 -12.628 -7.517 5.918 1.00 0.00 H new ATOM 0 HB2 MET A 51 -14.324 -8.316 3.457 1.00 0.00 H new ATOM 0 HB3 MET A 51 -13.754 -6.674 3.683 1.00 0.00 H new ATOM 0 HG2 MET A 51 -11.492 -7.293 3.312 1.00 0.00 H new ATOM 0 HG3 MET A 51 -11.853 -9.002 3.453 1.00 0.00 H new ATOM 0 HE1 MET A 51 -10.633 -8.919 -0.213 1.00 0.00 H new ATOM 0 HE2 MET A 51 -9.970 -8.072 1.205 1.00 0.00 H new ATOM 0 HE3 MET A 51 -10.554 -9.746 1.361 1.00 0.00 H new ATOM 768 N ILE A 52 -15.924 -7.845 5.753 1.00 0.00 N ATOM 769 CA ILE A 52 -17.117 -7.297 6.322 1.00 0.00 C ATOM 770 C ILE A 52 -17.117 -7.226 7.810 1.00 0.00 C ATOM 771 O ILE A 52 -17.716 -6.308 8.369 1.00 0.00 O ATOM 772 CB ILE A 52 -18.252 -8.167 5.870 1.00 0.00 C ATOM 773 CG1 ILE A 52 -19.138 -7.280 4.979 1.00 0.00 C ATOM 774 CG2 ILE A 52 -19.034 -8.990 6.907 1.00 0.00 C ATOM 775 CD1 ILE A 52 -18.520 -6.834 3.655 1.00 0.00 C ATOM 0 H ILE A 52 -16.075 -8.709 5.233 1.00 0.00 H new ATOM 0 HA ILE A 52 -17.204 -6.264 5.984 1.00 0.00 H new ATOM 0 HB ILE A 52 -17.809 -9.007 5.334 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -20.060 -7.821 4.763 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -19.415 -6.391 5.546 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -19.817 -9.558 6.405 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.355 -9.676 7.414 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -19.485 -8.320 7.639 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -19.233 -6.215 3.111 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -17.615 -6.258 3.851 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -18.270 -7.710 3.057 1.00 0.00 H new ATOM 787 N ASN A 53 -16.526 -8.185 8.544 1.00 0.00 N ATOM 788 CA ASN A 53 -16.326 -8.073 9.956 1.00 0.00 C ATOM 789 C ASN A 53 -15.307 -7.061 10.354 1.00 0.00 C ATOM 790 O ASN A 53 -15.410 -6.593 11.487 1.00 0.00 O ATOM 791 CB ASN A 53 -15.978 -9.504 10.400 1.00 0.00 C ATOM 792 CG ASN A 53 -15.807 -9.673 11.903 1.00 0.00 C ATOM 793 OD1 ASN A 53 -16.810 -9.699 12.615 1.00 0.00 O ATOM 794 ND2 ASN A 53 -14.546 -9.837 12.383 1.00 0.00 N ATOM 0 H ASN A 53 -16.179 -9.058 8.148 1.00 0.00 H new ATOM 0 HA ASN A 53 -17.217 -7.692 10.455 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -16.763 -10.178 10.058 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.057 -9.811 9.905 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -14.396 -9.991 13.380 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -13.750 -9.806 11.746 1.00 0.00 H new ATOM 801 N GLU A 54 -14.261 -6.752 9.567 1.00 0.00 N ATOM 802 CA GLU A 54 -13.216 -5.825 9.874 1.00 0.00 C ATOM 803 C GLU A 54 -13.809 -4.461 9.784 1.00 0.00 C ATOM 804 O GLU A 54 -13.747 -3.671 10.725 1.00 0.00 O ATOM 805 CB GLU A 54 -11.983 -6.018 8.975 1.00 0.00 C ATOM 806 CG GLU A 54 -10.869 -5.083 9.452 1.00 0.00 C ATOM 807 CD GLU A 54 -9.466 -5.534 9.072 1.00 0.00 C ATOM 808 OE1 GLU A 54 -8.887 -6.297 9.890 1.00 0.00 O ATOM 809 OE2 GLU A 54 -8.905 -5.076 8.041 1.00 0.00 O ATOM 0 H GLU A 54 -14.138 -7.182 8.650 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.833 -5.991 10.881 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.647 -7.054 9.013 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.236 -5.803 7.937 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.043 -4.090 9.039 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.927 -4.992 10.537 1.00 0.00 H new ATOM 816 N VAL A 55 -14.461 -4.113 8.661 1.00 0.00 N ATOM 817 CA VAL A 55 -14.915 -2.778 8.419 1.00 0.00 C ATOM 818 C VAL A 55 -16.087 -2.237 9.162 1.00 0.00 C ATOM 819 O VAL A 55 -16.117 -1.052 9.490 1.00 0.00 O ATOM 820 CB VAL A 55 -15.175 -2.719 6.943 1.00 0.00 C ATOM 821 CG1 VAL A 55 -16.081 -1.558 6.502 1.00 0.00 C ATOM 822 CG2 VAL A 55 -13.855 -2.616 6.160 1.00 0.00 C ATOM 0 H VAL A 55 -14.677 -4.768 7.909 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.129 -2.129 8.805 1.00 0.00 H new ATOM 0 HB VAL A 55 -15.700 -3.648 6.720 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -16.216 -1.592 5.421 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -17.051 -1.647 6.991 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -15.620 -0.610 6.781 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -14.068 -2.575 5.092 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -13.324 -1.713 6.459 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -13.237 -3.488 6.373 1.00 0.00 H new ATOM 832 N ASP A 56 -17.027 -3.110 9.565 1.00 0.00 N ATOM 833 CA ASP A 56 -18.245 -2.718 10.205 1.00 0.00 C ATOM 834 C ASP A 56 -18.023 -2.396 11.643 1.00 0.00 C ATOM 835 O ASP A 56 -17.852 -3.248 12.513 1.00 0.00 O ATOM 836 CB ASP A 56 -19.261 -3.828 9.888 1.00 0.00 C ATOM 837 CG ASP A 56 -20.682 -3.328 10.104 1.00 0.00 C ATOM 838 OD1 ASP A 56 -20.817 -2.222 10.692 1.00 0.00 O ATOM 839 OD2 ASP A 56 -21.652 -3.915 9.554 1.00 0.00 O ATOM 0 H ASP A 56 -16.938 -4.119 9.442 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.654 -1.780 9.830 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -19.138 -4.158 8.856 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -19.073 -4.693 10.524 1.00 0.00 H new ATOM 844 N ALA A 57 -18.175 -1.108 12.000 1.00 0.00 N ATOM 845 CA ALA A 57 -17.995 -0.676 13.352 1.00 0.00 C ATOM 846 C ALA A 57 -19.270 -0.743 14.120 1.00 0.00 C ATOM 847 O ALA A 57 -19.267 -0.768 15.350 1.00 0.00 O ATOM 848 CB ALA A 57 -17.694 0.821 13.534 1.00 0.00 C ATOM 0 H ALA A 57 -18.424 -0.363 11.349 1.00 0.00 H new ATOM 0 HA ALA A 57 -17.181 -1.325 13.674 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -17.575 1.042 14.595 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -16.775 1.074 13.006 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -18.518 1.409 13.131 1.00 0.00 H new ATOM 854 N ASP A 58 -20.370 -0.989 13.386 1.00 0.00 N ATOM 855 CA ASP A 58 -21.687 -1.292 13.854 1.00 0.00 C ATOM 856 C ASP A 58 -21.877 -2.747 14.112 1.00 0.00 C ATOM 857 O ASP A 58 -22.271 -3.144 15.208 1.00 0.00 O ATOM 858 CB ASP A 58 -22.810 -0.710 12.980 1.00 0.00 C ATOM 859 CG ASP A 58 -22.337 0.567 12.301 1.00 0.00 C ATOM 860 OD1 ASP A 58 -22.351 1.582 13.048 1.00 0.00 O ATOM 861 OD2 ASP A 58 -22.139 0.634 11.059 1.00 0.00 O ATOM 0 H ASP A 58 -20.331 -0.974 12.367 1.00 0.00 H new ATOM 0 HA ASP A 58 -21.770 -0.780 14.812 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -23.112 -1.440 12.229 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -23.687 -0.502 13.593 1.00 0.00 H new ATOM 866 N GLY A 59 -21.393 -3.634 13.225 1.00 0.00 N ATOM 867 CA GLY A 59 -21.218 -5.047 13.365 1.00 0.00 C ATOM 868 C GLY A 59 -22.367 -5.786 12.771 1.00 0.00 C ATOM 869 O GLY A 59 -22.543 -6.953 13.117 1.00 0.00 O ATOM 0 H GLY A 59 -21.090 -3.321 12.303 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -20.292 -5.353 12.877 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -21.122 -5.303 14.420 1.00 0.00 H new ATOM 873 N ASN A 60 -23.148 -5.193 11.850 1.00 0.00 N ATOM 874 CA ASN A 60 -24.167 -5.846 11.088 1.00 0.00 C ATOM 875 C ASN A 60 -23.758 -6.819 10.036 1.00 0.00 C ATOM 876 O ASN A 60 -24.410 -7.804 9.694 1.00 0.00 O ATOM 877 CB ASN A 60 -25.127 -4.799 10.498 1.00 0.00 C ATOM 878 CG ASN A 60 -25.459 -3.641 11.428 1.00 0.00 C ATOM 879 OD1 ASN A 60 -24.934 -2.553 11.200 1.00 0.00 O ATOM 880 ND2 ASN A 60 -26.278 -3.846 12.495 1.00 0.00 N ATOM 0 H ASN A 60 -23.063 -4.202 11.625 1.00 0.00 H new ATOM 0 HA ASN A 60 -24.648 -6.488 11.826 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -24.688 -4.398 9.584 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -26.055 -5.296 10.214 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -26.476 -3.081 13.141 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -26.694 -4.764 12.649 1.00 0.00 H new ATOM 887 N GLY A 61 -22.575 -6.519 9.471 1.00 0.00 N ATOM 888 CA GLY A 61 -22.038 -7.146 8.303 1.00 0.00 C ATOM 889 C GLY A 61 -22.191 -6.378 7.036 1.00 0.00 C ATOM 890 O GLY A 61 -22.185 -6.875 5.911 1.00 0.00 O ATOM 0 H GLY A 61 -21.960 -5.799 9.850 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -20.977 -7.334 8.468 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -22.518 -8.117 8.179 1.00 0.00 H new ATOM 894 N THR A 62 -22.469 -5.071 7.191 1.00 0.00 N ATOM 895 CA THR A 62 -22.763 -4.178 6.114 1.00 0.00 C ATOM 896 C THR A 62 -21.894 -2.968 6.078 1.00 0.00 C ATOM 897 O THR A 62 -21.693 -2.301 7.092 1.00 0.00 O ATOM 898 CB THR A 62 -24.174 -3.672 6.055 1.00 0.00 C ATOM 899 OG1 THR A 62 -24.610 -3.294 7.352 1.00 0.00 O ATOM 900 CG2 THR A 62 -25.147 -4.738 5.523 1.00 0.00 C ATOM 0 H THR A 62 -22.490 -4.618 8.105 1.00 0.00 H new ATOM 0 HA THR A 62 -22.575 -4.828 5.259 1.00 0.00 H new ATOM 0 HB THR A 62 -24.175 -2.819 5.377 1.00 0.00 H new ATOM 0 HG1 THR A 62 -25.531 -2.963 7.304 1.00 0.00 H new ATOM 0 HG21 THR A 62 -26.157 -4.328 5.497 1.00 0.00 H new ATOM 0 HG22 THR A 62 -24.849 -5.033 4.517 1.00 0.00 H new ATOM 0 HG23 THR A 62 -25.125 -5.609 6.178 1.00 0.00 H new ATOM 908 N ILE A 63 -21.510 -2.534 4.864 1.00 0.00 N ATOM 909 CA ILE A 63 -20.775 -1.318 4.706 1.00 0.00 C ATOM 910 C ILE A 63 -21.730 -0.246 4.310 1.00 0.00 C ATOM 911 O ILE A 63 -22.479 -0.267 3.334 1.00 0.00 O ATOM 912 CB ILE A 63 -19.688 -1.407 3.676 1.00 0.00 C ATOM 913 CG1 ILE A 63 -18.961 -2.736 3.940 1.00 0.00 C ATOM 914 CG2 ILE A 63 -18.860 -0.119 3.819 1.00 0.00 C ATOM 915 CD1 ILE A 63 -17.955 -3.053 2.834 1.00 0.00 C ATOM 0 H ILE A 63 -21.709 -3.025 3.992 1.00 0.00 H new ATOM 0 HA ILE A 63 -20.288 -1.103 5.657 1.00 0.00 H new ATOM 0 HB ILE A 63 -20.002 -1.443 2.633 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -18.445 -2.686 4.899 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -19.690 -3.543 4.012 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -18.049 -0.125 3.091 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -19.499 0.746 3.642 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -18.444 -0.063 4.825 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -17.460 -3.999 3.053 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -18.476 -3.128 1.879 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -17.211 -2.258 2.780 1.00 0.00 H new ATOM 927 N ASP A 64 -21.801 0.899 5.012 1.00 0.00 N ATOM 928 CA ASP A 64 -22.619 2.048 4.776 1.00 0.00 C ATOM 929 C ASP A 64 -21.719 3.139 4.308 1.00 0.00 C ATOM 930 O ASP A 64 -20.496 3.012 4.264 1.00 0.00 O ATOM 931 CB ASP A 64 -23.492 2.371 6.000 1.00 0.00 C ATOM 932 CG ASP A 64 -22.731 2.447 7.316 1.00 0.00 C ATOM 933 OD1 ASP A 64 -22.288 1.385 7.830 1.00 0.00 O ATOM 934 OD2 ASP A 64 -22.699 3.585 7.855 1.00 0.00 O ATOM 0 H ASP A 64 -21.217 1.031 5.838 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.357 1.880 3.992 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -23.995 3.323 5.830 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -24.268 1.611 6.087 1.00 0.00 H new ATOM 939 N PHE A 65 -22.261 4.318 3.953 1.00 0.00 N ATOM 940 CA PHE A 65 -21.539 5.438 3.432 1.00 0.00 C ATOM 941 C PHE A 65 -20.539 6.049 4.352 1.00 0.00 C ATOM 942 O PHE A 65 -19.377 5.991 3.954 1.00 0.00 O ATOM 943 CB PHE A 65 -22.393 6.471 2.679 1.00 0.00 C ATOM 944 CG PHE A 65 -21.714 7.461 1.796 1.00 0.00 C ATOM 945 CD1 PHE A 65 -21.174 7.083 0.589 1.00 0.00 C ATOM 946 CD2 PHE A 65 -21.252 8.656 2.295 1.00 0.00 C ATOM 947 CE1 PHE A 65 -20.466 7.961 -0.198 1.00 0.00 C ATOM 948 CE2 PHE A 65 -20.552 9.579 1.554 1.00 0.00 C ATOM 949 CZ PHE A 65 -20.098 9.180 0.319 1.00 0.00 C ATOM 0 H PHE A 65 -23.261 4.500 4.035 1.00 0.00 H new ATOM 0 HA PHE A 65 -20.929 4.969 2.660 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -23.111 5.923 2.069 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -22.965 7.029 3.420 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -21.310 6.067 0.249 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -21.451 8.884 3.332 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -20.202 7.695 -1.211 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -20.367 10.576 1.927 1.00 0.00 H new ATOM 0 HZ PHE A 65 -19.448 9.829 -0.249 1.00 0.00 H new ATOM 959 N PRO A 66 -20.866 6.650 5.458 1.00 0.00 N ATOM 960 CA PRO A 66 -19.903 7.315 6.286 1.00 0.00 C ATOM 961 C PRO A 66 -18.946 6.367 6.922 1.00 0.00 C ATOM 962 O PRO A 66 -17.932 6.754 7.499 1.00 0.00 O ATOM 963 CB PRO A 66 -20.744 8.070 7.313 1.00 0.00 C ATOM 964 CG PRO A 66 -22.101 7.351 7.386 1.00 0.00 C ATOM 965 CD PRO A 66 -22.225 6.820 5.949 1.00 0.00 C ATOM 0 HA PRO A 66 -19.263 7.984 5.710 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.255 8.073 8.287 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.873 9.111 7.018 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -22.104 6.549 8.124 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -22.914 8.028 7.648 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.767 5.874 5.929 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.780 7.518 5.323 1.00 0.00 H new ATOM 973 N GLU A 67 -19.223 5.051 6.933 1.00 0.00 N ATOM 974 CA GLU A 67 -18.273 4.008 7.168 1.00 0.00 C ATOM 975 C GLU A 67 -17.274 3.826 6.078 1.00 0.00 C ATOM 976 O GLU A 67 -16.054 3.807 6.233 1.00 0.00 O ATOM 977 CB GLU A 67 -18.942 2.657 7.473 1.00 0.00 C ATOM 978 CG GLU A 67 -18.068 1.620 8.182 1.00 0.00 C ATOM 979 CD GLU A 67 -19.028 0.560 8.704 1.00 0.00 C ATOM 980 OE1 GLU A 67 -19.588 -0.209 7.877 1.00 0.00 O ATOM 981 OE2 GLU A 67 -19.323 0.455 9.924 1.00 0.00 O ATOM 0 H GLU A 67 -20.165 4.695 6.768 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.731 4.351 8.050 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.823 2.841 8.087 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -19.292 2.227 6.534 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.341 1.186 7.496 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.505 2.074 8.997 1.00 0.00 H new ATOM 988 N PHE A 68 -17.793 3.629 4.853 1.00 0.00 N ATOM 989 CA PHE A 68 -16.946 3.699 3.703 1.00 0.00 C ATOM 990 C PHE A 68 -16.073 4.902 3.604 1.00 0.00 C ATOM 991 O PHE A 68 -14.867 4.819 3.376 1.00 0.00 O ATOM 992 CB PHE A 68 -17.767 3.736 2.403 1.00 0.00 C ATOM 993 CG PHE A 68 -16.960 3.411 1.193 1.00 0.00 C ATOM 994 CD1 PHE A 68 -16.491 2.159 0.874 1.00 0.00 C ATOM 995 CD2 PHE A 68 -17.007 4.333 0.174 1.00 0.00 C ATOM 996 CE1 PHE A 68 -15.959 1.809 -0.345 1.00 0.00 C ATOM 997 CE2 PHE A 68 -16.547 4.015 -1.082 1.00 0.00 C ATOM 998 CZ PHE A 68 -16.040 2.762 -1.333 1.00 0.00 C ATOM 0 H PHE A 68 -18.774 3.426 4.660 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.331 2.808 3.825 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -18.593 3.030 2.482 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.205 4.727 2.285 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -16.544 1.395 1.636 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -17.410 5.317 0.362 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -15.505 0.844 -0.516 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -16.584 4.750 -1.872 1.00 0.00 H new ATOM 0 HZ PHE A 68 -15.698 2.521 -2.328 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.567 6.110 3.928 1.00 0.00 N ATOM 1009 CA LEU A 69 -15.825 7.320 4.099 1.00 0.00 C ATOM 1010 C LEU A 69 -14.647 7.200 5.003 1.00 0.00 C ATOM 1011 O LEU A 69 -13.551 7.710 4.771 1.00 0.00 O ATOM 1012 CB LEU A 69 -16.804 8.487 4.308 1.00 0.00 C ATOM 1013 CG LEU A 69 -16.114 9.820 3.971 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -15.946 9.903 2.444 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -17.024 10.969 4.435 1.00 0.00 C ATOM 0 H LEU A 69 -17.565 6.250 4.082 1.00 0.00 H new ATOM 0 HA LEU A 69 -15.288 7.567 3.183 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -17.682 8.353 3.677 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -17.153 8.499 5.341 1.00 0.00 H new ATOM 0 HG LEU A 69 -15.144 9.888 4.463 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -15.458 10.842 2.182 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -15.336 9.068 2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -16.925 9.858 1.967 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -16.551 11.924 4.204 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -17.982 10.905 3.920 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -17.185 10.894 5.510 1.00 0.00 H new ATOM 1027 N THR A 70 -14.968 6.684 6.202 1.00 0.00 N ATOM 1028 CA THR A 70 -14.031 6.642 7.281 1.00 0.00 C ATOM 1029 C THR A 70 -12.961 5.608 7.202 1.00 0.00 C ATOM 1030 O THR A 70 -11.918 5.618 7.854 1.00 0.00 O ATOM 1031 CB THR A 70 -14.723 6.647 8.612 1.00 0.00 C ATOM 1032 OG1 THR A 70 -15.699 7.664 8.782 1.00 0.00 O ATOM 1033 CG2 THR A 70 -13.751 6.935 9.768 1.00 0.00 C ATOM 0 H THR A 70 -15.883 6.293 6.425 1.00 0.00 H new ATOM 0 HA THR A 70 -13.471 7.571 7.169 1.00 0.00 H new ATOM 0 HB THR A 70 -15.171 5.654 8.629 1.00 0.00 H new ATOM 0 HG1 THR A 70 -16.531 7.396 8.339 1.00 0.00 H new ATOM 0 HG21 THR A 70 -14.296 6.929 10.712 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.976 6.169 9.791 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.291 7.912 9.621 1.00 0.00 H new ATOM 1041 N MET A 71 -13.208 4.679 6.261 1.00 0.00 N ATOM 1042 CA MET A 71 -12.171 3.795 5.828 1.00 0.00 C ATOM 1043 C MET A 71 -11.383 4.301 4.669 1.00 0.00 C ATOM 1044 O MET A 71 -10.173 4.096 4.585 1.00 0.00 O ATOM 1045 CB MET A 71 -12.605 2.348 5.543 1.00 0.00 C ATOM 1046 CG MET A 71 -13.287 1.966 4.227 1.00 0.00 C ATOM 1047 SD MET A 71 -13.905 0.259 4.313 1.00 0.00 S ATOM 1048 CE MET A 71 -12.988 -0.446 2.913 1.00 0.00 C ATOM 0 H MET A 71 -14.110 4.541 5.806 1.00 0.00 H new ATOM 0 HA MET A 71 -11.531 3.773 6.710 1.00 0.00 H new ATOM 0 HB2 MET A 71 -11.714 1.726 5.631 1.00 0.00 H new ATOM 0 HB3 MET A 71 -13.280 2.055 6.347 1.00 0.00 H new ATOM 0 HG2 MET A 71 -14.112 2.649 4.025 1.00 0.00 H new ATOM 0 HG3 MET A 71 -12.582 2.064 3.402 1.00 0.00 H new ATOM 0 HE1 MET A 71 -13.240 -1.501 2.807 1.00 0.00 H new ATOM 0 HE2 MET A 71 -13.255 0.084 1.999 1.00 0.00 H new ATOM 0 HE3 MET A 71 -11.917 -0.345 3.091 1.00 0.00 H new ATOM 1058 N MET A 72 -11.940 5.087 3.730 1.00 0.00 N ATOM 1059 CA MET A 72 -11.315 5.938 2.765 1.00 0.00 C ATOM 1060 C MET A 72 -10.570 7.103 3.320 1.00 0.00 C ATOM 1061 O MET A 72 -9.619 7.617 2.734 1.00 0.00 O ATOM 1062 CB MET A 72 -12.205 6.541 1.665 1.00 0.00 C ATOM 1063 CG MET A 72 -12.832 5.553 0.678 1.00 0.00 C ATOM 1064 SD MET A 72 -11.564 4.659 -0.269 1.00 0.00 S ATOM 1065 CE MET A 72 -12.716 3.908 -1.455 1.00 0.00 C ATOM 0 H MET A 72 -12.955 5.128 3.640 1.00 0.00 H new ATOM 0 HA MET A 72 -10.649 5.190 2.336 1.00 0.00 H new ATOM 0 HB2 MET A 72 -13.008 7.101 2.144 1.00 0.00 H new ATOM 0 HB3 MET A 72 -11.610 7.258 1.099 1.00 0.00 H new ATOM 0 HG2 MET A 72 -13.452 4.840 1.221 1.00 0.00 H new ATOM 0 HG3 MET A 72 -13.488 6.089 -0.007 1.00 0.00 H new ATOM 0 HE1 MET A 72 -12.180 3.647 -2.367 1.00 0.00 H new ATOM 0 HE2 MET A 72 -13.151 3.008 -1.020 1.00 0.00 H new ATOM 0 HE3 MET A 72 -13.509 4.617 -1.691 1.00 0.00 H new ATOM 1075 N ALA A 73 -10.776 7.518 4.583 1.00 0.00 N ATOM 1076 CA ALA A 73 -9.982 8.381 5.401 1.00 0.00 C ATOM 1077 C ALA A 73 -8.651 7.780 5.697 1.00 0.00 C ATOM 1078 O ALA A 73 -7.689 8.510 5.929 1.00 0.00 O ATOM 1079 CB ALA A 73 -10.865 8.869 6.562 1.00 0.00 C ATOM 0 H ALA A 73 -11.605 7.207 5.090 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.669 9.295 4.896 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.286 9.531 7.206 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.724 9.409 6.164 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.212 8.013 7.140 1.00 0.00 H new ATOM 1234 N GLU A 83 5.872 10.498 5.446 1.00 0.00 N ATOM 1235 CA GLU A 83 6.185 9.810 4.231 1.00 0.00 C ATOM 1236 C GLU A 83 7.071 8.675 4.614 1.00 0.00 C ATOM 1237 O GLU A 83 7.496 7.959 3.709 1.00 0.00 O ATOM 1238 CB GLU A 83 6.878 10.689 3.176 1.00 0.00 C ATOM 1239 CG GLU A 83 6.073 11.921 2.759 1.00 0.00 C ATOM 1240 CD GLU A 83 6.842 12.896 1.879 1.00 0.00 C ATOM 1241 OE1 GLU A 83 8.094 12.862 2.015 1.00 0.00 O ATOM 1242 OE2 GLU A 83 6.149 13.506 1.020 1.00 0.00 O ATOM 0 HA GLU A 83 5.258 9.484 3.760 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.842 11.014 3.567 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.080 10.085 2.292 1.00 0.00 H new ATOM 0 HG2 GLU A 83 5.179 11.595 2.227 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.738 12.443 3.655 1.00 0.00 H new ATOM 1249 N GLU A 84 7.169 8.245 5.885 1.00 0.00 N ATOM 1250 CA GLU A 84 8.113 7.315 6.421 1.00 0.00 C ATOM 1251 C GLU A 84 7.729 5.933 6.019 1.00 0.00 C ATOM 1252 O GLU A 84 8.584 5.057 5.904 1.00 0.00 O ATOM 1253 CB GLU A 84 8.157 7.321 7.959 1.00 0.00 C ATOM 1254 CG GLU A 84 8.726 8.637 8.493 1.00 0.00 C ATOM 1255 CD GLU A 84 9.491 8.566 9.807 1.00 0.00 C ATOM 1256 OE1 GLU A 84 10.564 7.906 9.812 1.00 0.00 O ATOM 1257 OE2 GLU A 84 9.101 9.336 10.725 1.00 0.00 O ATOM 0 H GLU A 84 6.526 8.581 6.602 1.00 0.00 H new ATOM 0 HA GLU A 84 9.087 7.614 6.033 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.153 7.169 8.354 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.767 6.489 8.311 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.389 9.054 7.735 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.902 9.339 8.616 1.00 0.00 H new ATOM 1264 N ILE A 85 6.436 5.650 5.776 1.00 0.00 N ATOM 1265 CA ILE A 85 6.035 4.470 5.076 1.00 0.00 C ATOM 1266 C ILE A 85 6.254 4.687 3.618 1.00 0.00 C ATOM 1267 O ILE A 85 6.965 3.903 2.991 1.00 0.00 O ATOM 1268 CB ILE A 85 4.590 4.081 5.177 1.00 0.00 C ATOM 1269 CG1 ILE A 85 4.065 4.020 6.621 1.00 0.00 C ATOM 1270 CG2 ILE A 85 4.416 2.704 4.515 1.00 0.00 C ATOM 1271 CD1 ILE A 85 4.860 3.285 7.699 1.00 0.00 C ATOM 0 H ILE A 85 5.662 6.246 6.068 1.00 0.00 H new ATOM 0 HA ILE A 85 6.628 3.683 5.542 1.00 0.00 H new ATOM 0 HB ILE A 85 4.009 4.853 4.673 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.934 5.047 6.961 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.074 3.567 6.585 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.371 2.400 4.577 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.716 2.763 3.469 1.00 0.00 H new ATOM 0 HG23 ILE A 85 5.038 1.972 5.030 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.331 3.351 8.650 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.972 2.238 7.418 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.845 3.741 7.799 1.00 0.00 H new ATOM 1283 N ARG A 86 5.720 5.716 2.937 1.00 0.00 N ATOM 1284 CA ARG A 86 5.861 5.977 1.538 1.00 0.00 C ATOM 1285 C ARG A 86 7.159 5.807 0.825 1.00 0.00 C ATOM 1286 O ARG A 86 7.269 5.040 -0.131 1.00 0.00 O ATOM 1287 CB ARG A 86 5.099 7.277 1.232 1.00 0.00 C ATOM 1288 CG ARG A 86 4.192 7.325 0.000 1.00 0.00 C ATOM 1289 CD ARG A 86 3.667 8.720 -0.345 1.00 0.00 C ATOM 1290 NE ARG A 86 2.656 8.629 -1.436 1.00 0.00 N ATOM 1291 CZ ARG A 86 2.715 9.120 -2.708 1.00 0.00 C ATOM 1292 NH1 ARG A 86 3.716 9.964 -3.092 1.00 0.00 N ATOM 1293 NH2 ARG A 86 1.712 8.785 -3.571 1.00 0.00 N ATOM 0 H ARG A 86 5.145 6.419 3.402 1.00 0.00 H new ATOM 0 HA ARG A 86 5.420 5.103 1.059 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.487 7.514 2.102 1.00 0.00 H new ATOM 0 HB3 ARG A 86 5.834 8.075 1.132 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.742 6.935 -0.856 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.343 6.661 0.163 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.221 9.178 0.538 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.492 9.362 -0.655 1.00 0.00 H new ATOM 0 HE ARG A 86 1.799 8.129 -1.199 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.436 10.238 -2.424 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.744 10.321 -4.047 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.949 8.185 -3.258 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.725 9.135 -4.529 1.00 0.00 H new ATOM 1307 N GLU A 87 8.188 6.477 1.373 1.00 0.00 N ATOM 1308 CA GLU A 87 9.523 6.389 0.867 1.00 0.00 C ATOM 1309 C GLU A 87 10.190 5.140 1.329 1.00 0.00 C ATOM 1310 O GLU A 87 11.164 4.718 0.707 1.00 0.00 O ATOM 1311 CB GLU A 87 10.305 7.697 1.076 1.00 0.00 C ATOM 1312 CG GLU A 87 10.848 7.946 2.485 1.00 0.00 C ATOM 1313 CD GLU A 87 11.697 9.208 2.536 1.00 0.00 C ATOM 1314 OE1 GLU A 87 11.162 10.273 2.126 1.00 0.00 O ATOM 1315 OE2 GLU A 87 12.925 9.095 2.795 1.00 0.00 O ATOM 0 H GLU A 87 8.092 7.091 2.182 1.00 0.00 H new ATOM 0 HA GLU A 87 9.492 6.290 -0.218 1.00 0.00 H new ATOM 0 HB2 GLU A 87 11.143 7.709 0.379 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.656 8.530 0.808 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.018 8.035 3.186 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.444 7.091 2.804 1.00 0.00 H new ATOM 1322 N ALA A 88 9.788 4.560 2.473 1.00 0.00 N ATOM 1323 CA ALA A 88 10.407 3.346 2.908 1.00 0.00 C ATOM 1324 C ALA A 88 10.109 2.191 2.015 1.00 0.00 C ATOM 1325 O ALA A 88 10.926 1.315 1.739 1.00 0.00 O ATOM 1326 CB ALA A 88 9.884 2.946 4.298 1.00 0.00 C ATOM 0 H ALA A 88 9.054 4.919 3.084 1.00 0.00 H new ATOM 0 HA ALA A 88 11.477 3.551 2.908 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.364 2.020 4.615 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.111 3.736 5.013 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.805 2.797 4.252 1.00 0.00 H new ATOM 1332 N PHE A 89 8.886 2.143 1.456 1.00 0.00 N ATOM 1333 CA PHE A 89 8.526 1.169 0.473 1.00 0.00 C ATOM 1334 C PHE A 89 9.287 1.359 -0.794 1.00 0.00 C ATOM 1335 O PHE A 89 9.787 0.428 -1.422 1.00 0.00 O ATOM 1336 CB PHE A 89 7.016 1.248 0.194 1.00 0.00 C ATOM 1337 CG PHE A 89 6.504 0.109 -0.619 1.00 0.00 C ATOM 1338 CD1 PHE A 89 6.059 -1.010 0.044 1.00 0.00 C ATOM 1339 CD2 PHE A 89 6.387 0.259 -1.981 1.00 0.00 C ATOM 1340 CE1 PHE A 89 5.594 -2.063 -0.708 1.00 0.00 C ATOM 1341 CE2 PHE A 89 6.152 -0.896 -2.687 1.00 0.00 C ATOM 1342 CZ PHE A 89 5.668 -2.032 -2.081 1.00 0.00 C ATOM 0 H PHE A 89 8.135 2.792 1.691 1.00 0.00 H new ATOM 0 HA PHE A 89 8.777 0.184 0.867 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.480 1.278 1.143 1.00 0.00 H new ATOM 0 HB3 PHE A 89 6.798 2.182 -0.325 1.00 0.00 H new ATOM 0 HD1 PHE A 89 6.074 -1.060 1.123 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.474 1.221 -2.464 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.166 -2.924 -0.215 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.353 -0.912 -3.748 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.353 -2.881 -2.670 1.00 0.00 H new ATOM 1352 N ARG A 90 9.427 2.618 -1.246 1.00 0.00 N ATOM 1353 CA ARG A 90 10.264 3.076 -2.312 1.00 0.00 C ATOM 1354 C ARG A 90 11.727 2.840 -2.161 1.00 0.00 C ATOM 1355 O ARG A 90 12.504 2.813 -3.114 1.00 0.00 O ATOM 1356 CB ARG A 90 10.025 4.591 -2.427 1.00 0.00 C ATOM 1357 CG ARG A 90 10.331 5.124 -3.828 1.00 0.00 C ATOM 1358 CD ARG A 90 9.689 6.503 -3.990 1.00 0.00 C ATOM 1359 NE ARG A 90 10.292 7.138 -5.196 1.00 0.00 N ATOM 1360 CZ ARG A 90 9.975 8.386 -5.647 1.00 0.00 C ATOM 1361 NH1 ARG A 90 9.221 9.258 -4.917 1.00 0.00 N ATOM 1362 NH2 ARG A 90 10.498 8.838 -6.825 1.00 0.00 N ATOM 0 H ARG A 90 8.904 3.386 -0.824 1.00 0.00 H new ATOM 0 HA ARG A 90 9.988 2.497 -3.194 1.00 0.00 H new ATOM 0 HB2 ARG A 90 8.988 4.813 -2.175 1.00 0.00 H new ATOM 0 HB3 ARG A 90 10.648 5.111 -1.699 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.409 5.191 -3.978 1.00 0.00 H new ATOM 0 HG3 ARG A 90 9.946 4.439 -4.583 1.00 0.00 H new ATOM 0 HD2 ARG A 90 8.609 6.412 -4.104 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.866 7.115 -3.105 1.00 0.00 H new ATOM 0 HE ARG A 90 10.987 6.605 -5.718 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.872 8.985 -3.998 1.00 0.00 H new ATOM 0 HH12 ARG A 90 9.006 10.183 -5.290 1.00 0.00 H new ATOM 0 HH21 ARG A 90 11.125 8.243 -7.366 1.00 0.00 H new ATOM 0 HH22 ARG A 90 10.262 9.771 -7.163 1.00 0.00 H new ATOM 1376 N VAL A 91 12.238 2.684 -0.926 1.00 0.00 N ATOM 1377 CA VAL A 91 13.601 2.364 -0.637 1.00 0.00 C ATOM 1378 C VAL A 91 13.816 0.933 -0.994 1.00 0.00 C ATOM 1379 O VAL A 91 14.858 0.649 -1.583 1.00 0.00 O ATOM 1380 CB VAL A 91 13.932 2.718 0.782 1.00 0.00 C ATOM 1381 CG1 VAL A 91 14.982 1.792 1.419 1.00 0.00 C ATOM 1382 CG2 VAL A 91 14.489 4.146 0.907 1.00 0.00 C ATOM 0 H VAL A 91 11.669 2.787 -0.085 1.00 0.00 H new ATOM 0 HA VAL A 91 14.296 2.955 -1.233 1.00 0.00 H new ATOM 0 HB VAL A 91 12.980 2.614 1.303 1.00 0.00 H new ATOM 0 HG11 VAL A 91 15.171 2.108 2.445 1.00 0.00 H new ATOM 0 HG12 VAL A 91 14.612 0.767 1.418 1.00 0.00 H new ATOM 0 HG13 VAL A 91 15.908 1.844 0.847 1.00 0.00 H new ATOM 0 HG21 VAL A 91 14.714 4.358 1.952 1.00 0.00 H new ATOM 0 HG22 VAL A 91 15.399 4.235 0.314 1.00 0.00 H new ATOM 0 HG23 VAL A 91 13.748 4.858 0.544 1.00 0.00 H new ATOM 1392 N PHE A 92 12.822 0.082 -0.684 1.00 0.00 N ATOM 1393 CA PHE A 92 12.789 -1.324 -0.945 1.00 0.00 C ATOM 1394 C PHE A 92 12.475 -1.615 -2.372 1.00 0.00 C ATOM 1395 O PHE A 92 13.256 -2.400 -2.908 1.00 0.00 O ATOM 1396 CB PHE A 92 11.890 -2.154 -0.013 1.00 0.00 C ATOM 1397 CG PHE A 92 12.430 -2.180 1.375 1.00 0.00 C ATOM 1398 CD1 PHE A 92 13.573 -2.865 1.712 1.00 0.00 C ATOM 1399 CD2 PHE A 92 11.647 -1.666 2.383 1.00 0.00 C ATOM 1400 CE1 PHE A 92 13.923 -3.036 3.031 1.00 0.00 C ATOM 1401 CE2 PHE A 92 12.034 -1.804 3.695 1.00 0.00 C ATOM 1402 CZ PHE A 92 13.201 -2.442 4.040 1.00 0.00 C ATOM 0 H PHE A 92 11.976 0.403 -0.214 1.00 0.00 H new ATOM 0 HA PHE A 92 13.805 -1.650 -0.722 1.00 0.00 H new ATOM 0 HB2 PHE A 92 10.884 -1.735 -0.007 1.00 0.00 H new ATOM 0 HB3 PHE A 92 11.809 -3.172 -0.394 1.00 0.00 H new ATOM 0 HD1 PHE A 92 14.202 -3.273 0.934 1.00 0.00 H new ATOM 0 HD2 PHE A 92 10.727 -1.153 2.143 1.00 0.00 H new ATOM 0 HE1 PHE A 92 14.779 -3.647 3.279 1.00 0.00 H new ATOM 0 HE2 PHE A 92 11.405 -1.401 4.474 1.00 0.00 H new ATOM 0 HZ PHE A 92 13.539 -2.476 5.065 1.00 0.00 H new ATOM 1412 N ASP A 93 11.400 -1.105 -2.999 1.00 0.00 N ATOM 1413 CA ASP A 93 10.980 -1.465 -4.318 1.00 0.00 C ATOM 1414 C ASP A 93 11.904 -0.867 -5.322 1.00 0.00 C ATOM 1415 O ASP A 93 11.854 0.315 -5.658 1.00 0.00 O ATOM 1416 CB ASP A 93 9.551 -0.992 -4.638 1.00 0.00 C ATOM 1417 CG ASP A 93 9.040 -1.630 -5.922 1.00 0.00 C ATOM 1418 OD1 ASP A 93 9.741 -2.452 -6.570 1.00 0.00 O ATOM 1419 OD2 ASP A 93 7.859 -1.427 -6.309 1.00 0.00 O ATOM 0 H ASP A 93 10.795 -0.408 -2.565 1.00 0.00 H new ATOM 0 HA ASP A 93 10.997 -2.554 -4.364 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.887 -1.246 -3.812 1.00 0.00 H new ATOM 0 HB3 ASP A 93 9.537 0.093 -4.736 1.00 0.00 H new ATOM 1424 N LYS A 94 12.760 -1.710 -5.926 1.00 0.00 N ATOM 1425 CA LYS A 94 13.819 -1.273 -6.781 1.00 0.00 C ATOM 1426 C LYS A 94 13.352 -0.993 -8.168 1.00 0.00 C ATOM 1427 O LYS A 94 13.829 -0.022 -8.753 1.00 0.00 O ATOM 1428 CB LYS A 94 15.025 -2.226 -6.709 1.00 0.00 C ATOM 1429 CG LYS A 94 15.807 -2.357 -5.401 1.00 0.00 C ATOM 1430 CD LYS A 94 16.349 -1.023 -4.884 1.00 0.00 C ATOM 1431 CE LYS A 94 17.424 -0.316 -5.712 1.00 0.00 C ATOM 1432 NZ LYS A 94 18.135 0.675 -4.874 1.00 0.00 N ATOM 0 H LYS A 94 12.714 -2.723 -5.817 1.00 0.00 H new ATOM 0 HA LYS A 94 14.172 -0.311 -6.408 1.00 0.00 H new ATOM 0 HB2 LYS A 94 14.671 -3.221 -6.978 1.00 0.00 H new ATOM 0 HB3 LYS A 94 15.730 -1.919 -7.481 1.00 0.00 H new ATOM 0 HG2 LYS A 94 15.161 -2.797 -4.642 1.00 0.00 H new ATOM 0 HG3 LYS A 94 16.638 -3.046 -5.550 1.00 0.00 H new ATOM 0 HD2 LYS A 94 15.507 -0.339 -4.776 1.00 0.00 H new ATOM 0 HD3 LYS A 94 16.753 -1.191 -3.886 1.00 0.00 H new ATOM 0 HE2 LYS A 94 18.131 -1.046 -6.106 1.00 0.00 H new ATOM 0 HE3 LYS A 94 16.968 0.180 -6.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 18.864 1.151 -5.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 17.457 1.379 -4.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 18.584 0.191 -4.070 1.00 0.00 H new ATOM 1446 N ASP A 95 12.466 -1.794 -8.786 1.00 0.00 N ATOM 1447 CA ASP A 95 11.871 -1.579 -10.068 1.00 0.00 C ATOM 1448 C ASP A 95 10.680 -0.687 -10.150 1.00 0.00 C ATOM 1449 O ASP A 95 10.220 -0.271 -11.212 1.00 0.00 O ATOM 1450 CB ASP A 95 11.570 -2.857 -10.870 1.00 0.00 C ATOM 1451 CG ASP A 95 10.670 -3.833 -10.127 1.00 0.00 C ATOM 1452 OD1 ASP A 95 9.599 -3.329 -9.694 1.00 0.00 O ATOM 1453 OD2 ASP A 95 11.024 -5.004 -9.827 1.00 0.00 O ATOM 0 H ASP A 95 12.141 -2.659 -8.354 1.00 0.00 H new ATOM 0 HA ASP A 95 12.696 -1.033 -10.525 1.00 0.00 H new ATOM 0 HB2 ASP A 95 11.098 -2.583 -11.813 1.00 0.00 H new ATOM 0 HB3 ASP A 95 12.509 -3.353 -11.116 1.00 0.00 H new ATOM 1458 N GLY A 96 9.981 -0.422 -9.032 1.00 0.00 N ATOM 1459 CA GLY A 96 8.805 0.388 -8.976 1.00 0.00 C ATOM 1460 C GLY A 96 7.563 -0.179 -9.574 1.00 0.00 C ATOM 1461 O GLY A 96 6.759 0.622 -10.047 1.00 0.00 O ATOM 0 H GLY A 96 10.251 -0.792 -8.121 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.602 0.619 -7.930 1.00 0.00 H new ATOM 0 HA3 GLY A 96 9.020 1.333 -9.475 1.00 0.00 H new ATOM 1465 N ASN A 97 7.444 -1.518 -9.526 1.00 0.00 N ATOM 1466 CA ASN A 97 6.238 -2.172 -9.931 1.00 0.00 C ATOM 1467 C ASN A 97 5.100 -2.237 -8.971 1.00 0.00 C ATOM 1468 O ASN A 97 3.914 -2.111 -9.271 1.00 0.00 O ATOM 1469 CB ASN A 97 6.575 -3.570 -10.475 1.00 0.00 C ATOM 1470 CG ASN A 97 7.022 -4.618 -9.465 1.00 0.00 C ATOM 1471 OD1 ASN A 97 7.480 -4.446 -8.337 1.00 0.00 O ATOM 1472 ND2 ASN A 97 6.731 -5.887 -9.857 1.00 0.00 N ATOM 0 H ASN A 97 8.181 -2.147 -9.207 1.00 0.00 H new ATOM 0 HA ASN A 97 5.838 -1.509 -10.698 1.00 0.00 H new ATOM 0 HB2 ASN A 97 5.695 -3.953 -10.993 1.00 0.00 H new ATOM 0 HB3 ASN A 97 7.362 -3.462 -11.221 1.00 0.00 H new ATOM 0 HD21 ASN A 97 6.894 -6.667 -9.221 1.00 0.00 H new ATOM 0 HD22 ASN A 97 6.350 -6.059 -10.787 1.00 0.00 H new ATOM 1479 N GLY A 98 5.485 -2.090 -7.691 1.00 0.00 N ATOM 1480 CA GLY A 98 4.632 -1.912 -6.557 1.00 0.00 C ATOM 1481 C GLY A 98 4.636 -3.077 -5.627 1.00 0.00 C ATOM 1482 O GLY A 98 3.738 -3.334 -4.828 1.00 0.00 O ATOM 0 H GLY A 98 6.471 -2.096 -7.430 1.00 0.00 H new ATOM 0 HA2 GLY A 98 4.944 -1.021 -6.013 1.00 0.00 H new ATOM 0 HA3 GLY A 98 3.613 -1.735 -6.902 1.00 0.00 H new ATOM 1486 N TYR A 99 5.677 -3.896 -5.860 1.00 0.00 N ATOM 1487 CA TYR A 99 5.865 -5.012 -4.986 1.00 0.00 C ATOM 1488 C TYR A 99 7.301 -5.177 -4.625 1.00 0.00 C ATOM 1489 O TYR A 99 8.176 -4.860 -5.429 1.00 0.00 O ATOM 1490 CB TYR A 99 5.523 -6.357 -5.649 1.00 0.00 C ATOM 1491 CG TYR A 99 4.113 -6.360 -6.130 1.00 0.00 C ATOM 1492 CD1 TYR A 99 3.864 -5.900 -7.401 1.00 0.00 C ATOM 1493 CD2 TYR A 99 3.054 -6.842 -5.397 1.00 0.00 C ATOM 1494 CE1 TYR A 99 2.578 -5.732 -7.857 1.00 0.00 C ATOM 1495 CE2 TYR A 99 1.766 -6.777 -5.874 1.00 0.00 C ATOM 1496 CZ TYR A 99 1.528 -6.112 -7.054 1.00 0.00 C ATOM 1497 OH TYR A 99 0.175 -6.109 -7.453 1.00 0.00 O ATOM 0 H TYR A 99 6.357 -3.796 -6.613 1.00 0.00 H new ATOM 0 HA TYR A 99 5.217 -4.795 -4.137 1.00 0.00 H new ATOM 0 HB2 TYR A 99 6.199 -6.539 -6.485 1.00 0.00 H new ATOM 0 HB3 TYR A 99 5.672 -7.168 -4.936 1.00 0.00 H new ATOM 0 HD1 TYR A 99 4.693 -5.666 -8.053 1.00 0.00 H new ATOM 0 HD2 TYR A 99 3.238 -7.280 -4.427 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.395 -5.307 -8.833 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.955 -7.240 -5.331 1.00 0.00 H new ATOM 0 HH TYR A 99 -0.385 -6.421 -6.712 1.00 0.00 H new ATOM 1507 N ILE A 100 7.562 -5.814 -3.469 1.00 0.00 N ATOM 1508 CA ILE A 100 8.904 -6.105 -3.071 1.00 0.00 C ATOM 1509 C ILE A 100 9.068 -7.585 -3.133 1.00 0.00 C ATOM 1510 O ILE A 100 8.329 -8.342 -2.507 1.00 0.00 O ATOM 1511 CB ILE A 100 9.253 -5.710 -1.667 1.00 0.00 C ATOM 1512 CG1 ILE A 100 8.968 -4.234 -1.344 1.00 0.00 C ATOM 1513 CG2 ILE A 100 10.664 -6.119 -1.210 1.00 0.00 C ATOM 1514 CD1 ILE A 100 8.649 -3.959 0.125 1.00 0.00 C ATOM 0 H ILE A 100 6.847 -6.126 -2.812 1.00 0.00 H new ATOM 0 HA ILE A 100 9.550 -5.535 -3.739 1.00 0.00 H new ATOM 0 HB ILE A 100 8.561 -6.307 -1.072 1.00 0.00 H new ATOM 0 HG12 ILE A 100 9.834 -3.638 -1.633 1.00 0.00 H new ATOM 0 HG13 ILE A 100 8.130 -3.896 -1.954 1.00 0.00 H new ATOM 0 HG21 ILE A 100 10.823 -5.790 -0.183 1.00 0.00 H new ATOM 0 HG22 ILE A 100 10.764 -7.203 -1.264 1.00 0.00 H new ATOM 0 HG23 ILE A 100 11.406 -5.654 -1.859 1.00 0.00 H new ATOM 0 HD11 ILE A 100 8.461 -2.894 0.263 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.764 -4.524 0.417 1.00 0.00 H new ATOM 0 HD13 ILE A 100 9.494 -4.262 0.744 1.00 0.00 H new ATOM 1526 N SER A 101 10.089 -8.105 -3.838 1.00 0.00 N ATOM 1527 CA SER A 101 10.583 -9.439 -3.690 1.00 0.00 C ATOM 1528 C SER A 101 11.660 -9.453 -2.661 1.00 0.00 C ATOM 1529 O SER A 101 12.300 -8.437 -2.389 1.00 0.00 O ATOM 1530 CB SER A 101 11.177 -9.857 -5.045 1.00 0.00 C ATOM 1531 OG SER A 101 12.155 -8.931 -5.495 1.00 0.00 O ATOM 0 H SER A 101 10.594 -7.570 -4.545 1.00 0.00 H new ATOM 0 HA SER A 101 9.787 -10.118 -3.384 1.00 0.00 H new ATOM 0 HB2 SER A 101 11.625 -10.847 -4.957 1.00 0.00 H new ATOM 0 HB3 SER A 101 10.380 -9.933 -5.784 1.00 0.00 H new ATOM 0 HG SER A 101 12.514 -9.227 -6.358 1.00 0.00 H new ATOM 1537 N ALA A 102 12.066 -10.642 -2.181 1.00 0.00 N ATOM 1538 CA ALA A 102 13.161 -11.042 -1.353 1.00 0.00 C ATOM 1539 C ALA A 102 14.430 -10.458 -1.871 1.00 0.00 C ATOM 1540 O ALA A 102 15.183 -9.858 -1.105 1.00 0.00 O ATOM 1541 CB ALA A 102 13.105 -12.543 -1.020 1.00 0.00 C ATOM 0 H ALA A 102 11.518 -11.467 -2.425 1.00 0.00 H new ATOM 0 HA ALA A 102 13.091 -10.614 -0.353 1.00 0.00 H new ATOM 0 HB1 ALA A 102 13.954 -12.808 -0.389 1.00 0.00 H new ATOM 0 HB2 ALA A 102 12.178 -12.764 -0.492 1.00 0.00 H new ATOM 0 HB3 ALA A 102 13.144 -13.122 -1.943 1.00 0.00 H new ATOM 1547 N ALA A 103 14.653 -10.630 -3.187 1.00 0.00 N ATOM 1548 CA ALA A 103 15.761 -10.067 -3.894 1.00 0.00 C ATOM 1549 C ALA A 103 15.988 -8.598 -3.797 1.00 0.00 C ATOM 1550 O ALA A 103 17.068 -8.070 -3.536 1.00 0.00 O ATOM 1551 CB ALA A 103 15.644 -10.345 -5.402 1.00 0.00 C ATOM 0 H ALA A 103 14.036 -11.184 -3.782 1.00 0.00 H new ATOM 0 HA ALA A 103 16.594 -10.558 -3.392 1.00 0.00 H new ATOM 0 HB1 ALA A 103 16.498 -9.908 -5.920 1.00 0.00 H new ATOM 0 HB2 ALA A 103 15.628 -11.421 -5.573 1.00 0.00 H new ATOM 0 HB3 ALA A 103 14.723 -9.903 -5.783 1.00 0.00 H new ATOM 1557 N GLU A 104 14.919 -7.788 -3.900 1.00 0.00 N ATOM 1558 CA GLU A 104 14.905 -6.394 -3.584 1.00 0.00 C ATOM 1559 C GLU A 104 15.282 -6.107 -2.172 1.00 0.00 C ATOM 1560 O GLU A 104 16.232 -5.374 -1.905 1.00 0.00 O ATOM 1561 CB GLU A 104 13.560 -5.767 -3.991 1.00 0.00 C ATOM 1562 CG GLU A 104 13.404 -5.778 -5.513 1.00 0.00 C ATOM 1563 CD GLU A 104 12.109 -5.118 -5.964 1.00 0.00 C ATOM 1564 OE1 GLU A 104 11.014 -5.524 -5.492 1.00 0.00 O ATOM 1565 OE2 GLU A 104 12.186 -4.412 -7.005 1.00 0.00 O ATOM 0 H GLU A 104 14.013 -8.127 -4.223 1.00 0.00 H new ATOM 0 HA GLU A 104 15.686 -5.915 -4.175 1.00 0.00 H new ATOM 0 HB2 GLU A 104 12.740 -6.319 -3.531 1.00 0.00 H new ATOM 0 HB3 GLU A 104 13.502 -4.743 -3.621 1.00 0.00 H new ATOM 0 HG2 GLU A 104 14.250 -5.262 -5.967 1.00 0.00 H new ATOM 0 HG3 GLU A 104 13.429 -6.807 -5.871 1.00 0.00 H new ATOM 1572 N LEU A 105 14.553 -6.710 -1.215 1.00 0.00 N ATOM 1573 CA LEU A 105 14.681 -6.601 0.205 1.00 0.00 C ATOM 1574 C LEU A 105 16.110 -6.762 0.594 1.00 0.00 C ATOM 1575 O LEU A 105 16.474 -5.992 1.481 1.00 0.00 O ATOM 1576 CB LEU A 105 13.646 -7.494 0.910 1.00 0.00 C ATOM 1577 CG LEU A 105 13.821 -7.801 2.407 1.00 0.00 C ATOM 1578 CD1 LEU A 105 13.664 -6.501 3.214 1.00 0.00 C ATOM 1579 CD2 LEU A 105 12.774 -8.861 2.786 1.00 0.00 C ATOM 0 H LEU A 105 13.793 -7.341 -1.467 1.00 0.00 H new ATOM 0 HA LEU A 105 14.424 -5.604 0.562 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.669 -7.029 0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 105 13.618 -8.446 0.380 1.00 0.00 H new ATOM 0 HG LEU A 105 14.813 -8.194 2.630 1.00 0.00 H new ATOM 0 HD11 LEU A 105 13.787 -6.715 4.276 1.00 0.00 H new ATOM 0 HD12 LEU A 105 14.421 -5.783 2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 105 12.672 -6.083 3.041 1.00 0.00 H new ATOM 0 HD21 LEU A 105 12.869 -9.104 3.844 1.00 0.00 H new ATOM 0 HD22 LEU A 105 11.775 -8.471 2.591 1.00 0.00 H new ATOM 0 HD23 LEU A 105 12.935 -9.760 2.191 1.00 0.00 H new ATOM 1591 N ARG A 106 16.844 -7.775 0.099 1.00 0.00 N ATOM 1592 CA ARG A 106 18.182 -8.044 0.525 1.00 0.00 C ATOM 1593 C ARG A 106 19.129 -7.009 0.023 1.00 0.00 C ATOM 1594 O ARG A 106 20.070 -6.717 0.759 1.00 0.00 O ATOM 1595 CB ARG A 106 18.464 -9.548 0.361 1.00 0.00 C ATOM 1596 CG ARG A 106 18.604 -10.015 -1.089 1.00 0.00 C ATOM 1597 CD ARG A 106 18.687 -11.536 -0.943 1.00 0.00 C ATOM 1598 NE ARG A 106 18.914 -11.851 -2.381 1.00 0.00 N ATOM 1599 CZ ARG A 106 18.367 -12.955 -2.969 1.00 0.00 C ATOM 1600 NH1 ARG A 106 17.257 -13.634 -2.558 1.00 0.00 N ATOM 1601 NH2 ARG A 106 18.928 -13.397 -4.132 1.00 0.00 N ATOM 0 H ARG A 106 16.500 -8.421 -0.612 1.00 0.00 H new ATOM 0 HA ARG A 106 18.351 -7.908 1.593 1.00 0.00 H new ATOM 0 HB2 ARG A 106 19.380 -9.793 0.898 1.00 0.00 H new ATOM 0 HB3 ARG A 106 17.658 -10.109 0.833 1.00 0.00 H new ATOM 0 HG2 ARG A 106 17.751 -9.712 -1.697 1.00 0.00 H new ATOM 0 HG3 ARG A 106 19.495 -9.604 -1.563 1.00 0.00 H new ATOM 0 HD2 ARG A 106 19.504 -11.861 -0.299 1.00 0.00 H new ATOM 0 HD3 ARG A 106 17.773 -11.979 -0.546 1.00 0.00 H new ATOM 0 HE ARG A 106 19.493 -11.226 -2.941 1.00 0.00 H new ATOM 0 HH11 ARG A 106 16.747 -13.324 -1.731 1.00 0.00 H new ATOM 0 HH12 ARG A 106 16.937 -14.451 -3.078 1.00 0.00 H new ATOM 0 HH21 ARG A 106 19.728 -12.906 -4.532 1.00 0.00 H new ATOM 0 HH22 ARG A 106 18.548 -14.219 -4.602 1.00 0.00 H new ATOM 1615 N HIS A 107 18.930 -6.456 -1.187 1.00 0.00 N ATOM 1616 CA HIS A 107 19.790 -5.486 -1.789 1.00 0.00 C ATOM 1617 C HIS A 107 19.803 -4.260 -0.942 1.00 0.00 C ATOM 1618 O HIS A 107 20.815 -3.599 -0.715 1.00 0.00 O ATOM 1619 CB HIS A 107 19.431 -5.120 -3.239 1.00 0.00 C ATOM 1620 CG HIS A 107 20.244 -4.034 -3.879 1.00 0.00 C ATOM 1621 ND1 HIS A 107 21.623 -4.016 -3.901 1.00 0.00 N ATOM 1622 CD2 HIS A 107 19.863 -3.014 -4.693 1.00 0.00 C ATOM 1623 CE1 HIS A 107 22.000 -3.116 -4.849 1.00 0.00 C ATOM 1624 NE2 HIS A 107 20.956 -2.478 -5.343 1.00 0.00 N ATOM 0 H HIS A 107 18.131 -6.697 -1.773 1.00 0.00 H new ATOM 0 HA HIS A 107 20.778 -5.943 -1.845 1.00 0.00 H new ATOM 0 HB2 HIS A 107 19.522 -6.018 -3.850 1.00 0.00 H new ATOM 0 HB3 HIS A 107 18.383 -4.821 -3.265 1.00 0.00 H new ATOM 0 HD2 HIS A 107 18.846 -2.671 -4.814 1.00 0.00 H new ATOM 0 HE1 HIS A 107 23.021 -2.946 -5.157 1.00 0.00 H new ATOM 0 HE2 HIS A 107 20.957 -1.746 -6.053 1.00 0.00 H new ATOM 1632 N VAL A 108 18.611 -3.886 -0.443 1.00 0.00 N ATOM 1633 CA VAL A 108 18.432 -2.764 0.425 1.00 0.00 C ATOM 1634 C VAL A 108 18.993 -2.991 1.786 1.00 0.00 C ATOM 1635 O VAL A 108 19.638 -2.093 2.323 1.00 0.00 O ATOM 1636 CB VAL A 108 16.979 -2.399 0.347 1.00 0.00 C ATOM 1637 CG1 VAL A 108 16.648 -1.100 1.101 1.00 0.00 C ATOM 1638 CG2 VAL A 108 16.694 -2.144 -1.143 1.00 0.00 C ATOM 0 H VAL A 108 17.744 -4.381 -0.651 1.00 0.00 H new ATOM 0 HA VAL A 108 19.014 -1.899 0.107 1.00 0.00 H new ATOM 0 HB VAL A 108 16.387 -3.199 0.792 1.00 0.00 H new ATOM 0 HG11 VAL A 108 15.583 -0.887 1.009 1.00 0.00 H new ATOM 0 HG12 VAL A 108 16.906 -1.215 2.154 1.00 0.00 H new ATOM 0 HG13 VAL A 108 17.221 -0.276 0.675 1.00 0.00 H new ATOM 0 HG21 VAL A 108 15.646 -1.872 -1.272 1.00 0.00 H new ATOM 0 HG22 VAL A 108 17.327 -1.332 -1.501 1.00 0.00 H new ATOM 0 HG23 VAL A 108 16.907 -3.048 -1.714 1.00 0.00 H new ATOM 1648 N MET A 109 18.834 -4.161 2.432 1.00 0.00 N ATOM 1649 CA MET A 109 19.338 -4.309 3.762 1.00 0.00 C ATOM 1650 C MET A 109 20.824 -4.207 3.792 1.00 0.00 C ATOM 1651 O MET A 109 21.393 -3.649 4.729 1.00 0.00 O ATOM 1652 CB MET A 109 18.790 -5.591 4.412 1.00 0.00 C ATOM 1653 CG MET A 109 17.286 -5.467 4.662 1.00 0.00 C ATOM 1654 SD MET A 109 16.913 -4.611 6.222 1.00 0.00 S ATOM 1655 CE MET A 109 15.140 -5.002 6.288 1.00 0.00 C ATOM 0 H MET A 109 18.370 -4.983 2.047 1.00 0.00 H new ATOM 0 HA MET A 109 18.977 -3.481 4.372 1.00 0.00 H new ATOM 0 HB2 MET A 109 18.987 -6.446 3.765 1.00 0.00 H new ATOM 0 HB3 MET A 109 19.307 -5.777 5.354 1.00 0.00 H new ATOM 0 HG2 MET A 109 16.826 -4.926 3.835 1.00 0.00 H new ATOM 0 HG3 MET A 109 16.840 -6.461 4.680 1.00 0.00 H new ATOM 0 HE1 MET A 109 14.745 -4.737 7.269 1.00 0.00 H new ATOM 0 HE2 MET A 109 14.614 -4.435 5.520 1.00 0.00 H new ATOM 0 HE3 MET A 109 14.996 -6.068 6.115 1.00 0.00 H new ATOM 1665 N THR A 110 21.515 -4.669 2.735 1.00 0.00 N ATOM 1666 CA THR A 110 22.928 -4.471 2.637 1.00 0.00 C ATOM 1667 C THR A 110 23.329 -3.104 2.200 1.00 0.00 C ATOM 1668 O THR A 110 24.474 -2.704 2.403 1.00 0.00 O ATOM 1669 CB THR A 110 23.653 -5.441 1.752 1.00 0.00 C ATOM 1670 OG1 THR A 110 22.919 -5.460 0.537 1.00 0.00 O ATOM 1671 CG2 THR A 110 23.721 -6.838 2.392 1.00 0.00 C ATOM 0 H THR A 110 21.100 -5.176 1.953 1.00 0.00 H new ATOM 0 HA THR A 110 23.227 -4.639 3.672 1.00 0.00 H new ATOM 0 HB THR A 110 24.689 -5.143 1.589 1.00 0.00 H new ATOM 0 HG1 THR A 110 23.344 -6.079 -0.092 1.00 0.00 H new ATOM 0 HG21 THR A 110 24.252 -7.518 1.726 1.00 0.00 H new ATOM 0 HG22 THR A 110 24.248 -6.777 3.344 1.00 0.00 H new ATOM 0 HG23 THR A 110 22.711 -7.211 2.560 1.00 0.00 H new ATOM 1679 N ASN A 111 22.479 -2.236 1.624 1.00 0.00 N ATOM 1680 CA ASN A 111 22.844 -0.867 1.432 1.00 0.00 C ATOM 1681 C ASN A 111 22.696 -0.027 2.654 1.00 0.00 C ATOM 1682 O ASN A 111 23.483 0.881 2.920 1.00 0.00 O ATOM 1683 CB ASN A 111 22.045 -0.192 0.305 1.00 0.00 C ATOM 1684 CG ASN A 111 22.724 -0.469 -1.029 1.00 0.00 C ATOM 1685 OD1 ASN A 111 23.654 0.260 -1.373 1.00 0.00 O ATOM 1686 ND2 ASN A 111 22.340 -1.533 -1.784 1.00 0.00 N ATOM 0 H ASN A 111 21.545 -2.479 1.293 1.00 0.00 H new ATOM 0 HA ASN A 111 23.899 -0.922 1.165 1.00 0.00 H new ATOM 0 HB2 ASN A 111 21.023 -0.570 0.291 1.00 0.00 H new ATOM 0 HB3 ASN A 111 21.985 0.882 0.479 1.00 0.00 H new ATOM 0 HD21 ASN A 111 22.826 -1.741 -2.656 1.00 0.00 H new ATOM 0 HD22 ASN A 111 21.566 -2.123 -1.478 1.00 0.00 H new ATOM 1693 N LEU A 112 21.720 -0.357 3.518 1.00 0.00 N ATOM 1694 CA LEU A 112 21.487 0.312 4.760 1.00 0.00 C ATOM 1695 C LEU A 112 22.465 -0.170 5.775 1.00 0.00 C ATOM 1696 O LEU A 112 22.823 0.480 6.756 1.00 0.00 O ATOM 1697 CB LEU A 112 20.042 0.068 5.226 1.00 0.00 C ATOM 1698 CG LEU A 112 18.989 0.481 4.184 1.00 0.00 C ATOM 1699 CD1 LEU A 112 17.622 -0.017 4.680 1.00 0.00 C ATOM 1700 CD2 LEU A 112 18.978 2.012 4.039 1.00 0.00 C ATOM 0 H LEU A 112 21.067 -1.121 3.344 1.00 0.00 H new ATOM 0 HA LEU A 112 21.623 1.386 4.629 1.00 0.00 H new ATOM 0 HB2 LEU A 112 19.917 -0.989 5.460 1.00 0.00 H new ATOM 0 HB3 LEU A 112 19.867 0.621 6.149 1.00 0.00 H new ATOM 0 HG LEU A 112 19.217 0.048 3.210 1.00 0.00 H new ATOM 0 HD11 LEU A 112 16.851 0.261 3.961 1.00 0.00 H new ATOM 0 HD12 LEU A 112 17.646 -1.102 4.785 1.00 0.00 H new ATOM 0 HD13 LEU A 112 17.398 0.436 5.646 1.00 0.00 H new ATOM 0 HD21 LEU A 112 18.231 2.302 3.300 1.00 0.00 H new ATOM 0 HD22 LEU A 112 18.734 2.467 4.999 1.00 0.00 H new ATOM 0 HD23 LEU A 112 19.961 2.354 3.715 1.00 0.00 H new ATOM 1712 N GLY A 113 23.037 -1.381 5.648 1.00 0.00 N ATOM 1713 CA GLY A 113 23.862 -2.096 6.571 1.00 0.00 C ATOM 1714 C GLY A 113 23.156 -2.695 7.739 1.00 0.00 C ATOM 1715 O GLY A 113 23.670 -2.794 8.852 1.00 0.00 O ATOM 0 H GLY A 113 22.902 -1.920 4.793 1.00 0.00 H new ATOM 0 HA2 GLY A 113 24.373 -2.893 6.031 1.00 0.00 H new ATOM 0 HA3 GLY A 113 24.631 -1.419 6.943 1.00 0.00 H new ATOM 1719 N GLU A 114 21.948 -3.235 7.500 1.00 0.00 N ATOM 1720 CA GLU A 114 21.095 -3.846 8.472 1.00 0.00 C ATOM 1721 C GLU A 114 21.192 -5.329 8.371 1.00 0.00 C ATOM 1722 O GLU A 114 21.047 -5.899 7.290 1.00 0.00 O ATOM 1723 CB GLU A 114 19.634 -3.366 8.454 1.00 0.00 C ATOM 1724 CG GLU A 114 18.747 -3.609 9.676 1.00 0.00 C ATOM 1725 CD GLU A 114 19.328 -3.170 11.013 1.00 0.00 C ATOM 1726 OE1 GLU A 114 19.367 -1.950 11.325 1.00 0.00 O ATOM 1727 OE2 GLU A 114 19.709 -4.060 11.819 1.00 0.00 O ATOM 0 H GLU A 114 21.540 -3.245 6.565 1.00 0.00 H new ATOM 0 HA GLU A 114 21.464 -3.518 9.444 1.00 0.00 H new ATOM 0 HB2 GLU A 114 19.645 -2.292 8.267 1.00 0.00 H new ATOM 0 HB3 GLU A 114 19.147 -3.834 7.598 1.00 0.00 H new ATOM 0 HG2 GLU A 114 17.801 -3.089 9.524 1.00 0.00 H new ATOM 0 HG3 GLU A 114 18.521 -4.674 9.731 1.00 0.00 H new ATOM 1734 N LYS A 115 21.650 -6.001 9.442 1.00 0.00 N ATOM 1735 CA LYS A 115 22.141 -7.330 9.249 1.00 0.00 C ATOM 1736 C LYS A 115 21.126 -8.396 9.484 1.00 0.00 C ATOM 1737 O LYS A 115 20.793 -8.837 10.583 1.00 0.00 O ATOM 1738 CB LYS A 115 23.221 -7.735 10.266 1.00 0.00 C ATOM 1739 CG LYS A 115 24.005 -9.044 10.153 1.00 0.00 C ATOM 1740 CD LYS A 115 25.052 -9.220 11.254 1.00 0.00 C ATOM 1741 CE LYS A 115 25.943 -10.431 10.970 1.00 0.00 C ATOM 1742 NZ LYS A 115 26.890 -10.613 12.093 1.00 0.00 N ATOM 0 H LYS A 115 21.681 -5.647 10.398 1.00 0.00 H new ATOM 0 HA LYS A 115 22.489 -7.277 8.217 1.00 0.00 H new ATOM 0 HB2 LYS A 115 23.956 -6.931 10.277 1.00 0.00 H new ATOM 0 HB3 LYS A 115 22.741 -7.742 11.245 1.00 0.00 H new ATOM 0 HG2 LYS A 115 23.308 -9.881 10.187 1.00 0.00 H new ATOM 0 HG3 LYS A 115 24.499 -9.081 9.182 1.00 0.00 H new ATOM 0 HD2 LYS A 115 25.665 -8.321 11.326 1.00 0.00 H new ATOM 0 HD3 LYS A 115 24.556 -9.346 12.216 1.00 0.00 H new ATOM 0 HE2 LYS A 115 25.332 -11.325 10.845 1.00 0.00 H new ATOM 0 HE3 LYS A 115 26.489 -10.285 10.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 27.498 -11.435 11.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 27.479 -9.762 12.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 26.359 -10.770 12.973 1.00 0.00 H new ATOM 1756 N LEU A 116 20.644 -8.955 8.359 1.00 0.00 N ATOM 1757 CA LEU A 116 19.768 -10.082 8.273 1.00 0.00 C ATOM 1758 C LEU A 116 20.403 -11.271 7.638 1.00 0.00 C ATOM 1759 O LEU A 116 21.440 -11.154 6.987 1.00 0.00 O ATOM 1760 CB LEU A 116 18.510 -9.611 7.524 1.00 0.00 C ATOM 1761 CG LEU A 116 17.694 -8.552 8.284 1.00 0.00 C ATOM 1762 CD1 LEU A 116 16.561 -7.984 7.411 1.00 0.00 C ATOM 1763 CD2 LEU A 116 17.124 -8.989 9.644 1.00 0.00 C ATOM 0 H LEU A 116 20.887 -8.589 7.439 1.00 0.00 H new ATOM 0 HA LEU A 116 19.509 -10.430 9.273 1.00 0.00 H new ATOM 0 HB2 LEU A 116 18.806 -9.203 6.557 1.00 0.00 H new ATOM 0 HB3 LEU A 116 17.873 -10.473 7.325 1.00 0.00 H new ATOM 0 HG LEU A 116 18.430 -7.781 8.510 1.00 0.00 H new ATOM 0 HD11 LEU A 116 16.004 -7.238 7.978 1.00 0.00 H new ATOM 0 HD12 LEU A 116 16.985 -7.520 6.521 1.00 0.00 H new ATOM 0 HD13 LEU A 116 15.890 -8.791 7.115 1.00 0.00 H new ATOM 0 HD21 LEU A 116 16.568 -8.163 10.088 1.00 0.00 H new ATOM 0 HD22 LEU A 116 16.458 -9.840 9.503 1.00 0.00 H new ATOM 0 HD23 LEU A 116 17.941 -9.274 10.306 1.00 0.00 H new ATOM 1775 N THR A 117 19.815 -12.461 7.855 1.00 0.00 N ATOM 1776 CA THR A 117 20.096 -13.726 7.250 1.00 0.00 C ATOM 1777 C THR A 117 19.085 -14.026 6.197 1.00 0.00 C ATOM 1778 O THR A 117 18.049 -13.370 6.104 1.00 0.00 O ATOM 1779 CB THR A 117 20.178 -14.893 8.189 1.00 0.00 C ATOM 1780 OG1 THR A 117 18.940 -15.019 8.872 1.00 0.00 O ATOM 1781 CG2 THR A 117 21.294 -14.745 9.237 1.00 0.00 C ATOM 0 H THR A 117 19.057 -12.542 8.532 1.00 0.00 H new ATOM 0 HA THR A 117 21.096 -13.611 6.832 1.00 0.00 H new ATOM 0 HB THR A 117 20.404 -15.774 7.587 1.00 0.00 H new ATOM 0 HG1 THR A 117 18.845 -14.285 9.514 1.00 0.00 H new ATOM 0 HG21 THR A 117 21.302 -15.621 9.886 1.00 0.00 H new ATOM 0 HG22 THR A 117 22.257 -14.658 8.733 1.00 0.00 H new ATOM 0 HG23 THR A 117 21.115 -13.852 9.835 1.00 0.00 H new ATOM 1789 N ASP A 118 19.364 -14.884 5.200 1.00 0.00 N ATOM 1790 CA ASP A 118 18.420 -15.214 4.177 1.00 0.00 C ATOM 1791 C ASP A 118 17.169 -15.837 4.692 1.00 0.00 C ATOM 1792 O ASP A 118 16.135 -15.788 4.027 1.00 0.00 O ATOM 1793 CB ASP A 118 19.121 -16.244 3.275 1.00 0.00 C ATOM 1794 CG ASP A 118 20.353 -15.626 2.629 1.00 0.00 C ATOM 1795 OD1 ASP A 118 20.223 -14.718 1.765 1.00 0.00 O ATOM 1796 OD2 ASP A 118 21.500 -16.077 2.891 1.00 0.00 O ATOM 0 H ASP A 118 20.262 -15.358 5.102 1.00 0.00 H new ATOM 0 HA ASP A 118 18.125 -14.296 3.669 1.00 0.00 H new ATOM 0 HB2 ASP A 118 19.408 -17.116 3.862 1.00 0.00 H new ATOM 0 HB3 ASP A 118 18.433 -16.591 2.504 1.00 0.00 H new ATOM 1801 N GLU A 119 17.273 -16.485 5.866 1.00 0.00 N ATOM 1802 CA GLU A 119 16.175 -17.025 6.606 1.00 0.00 C ATOM 1803 C GLU A 119 15.250 -16.006 7.178 1.00 0.00 C ATOM 1804 O GLU A 119 14.043 -15.978 6.945 1.00 0.00 O ATOM 1805 CB GLU A 119 16.682 -18.119 7.562 1.00 0.00 C ATOM 1806 CG GLU A 119 17.713 -19.020 6.879 1.00 0.00 C ATOM 1807 CD GLU A 119 17.188 -19.874 5.734 1.00 0.00 C ATOM 1808 OE1 GLU A 119 16.166 -20.570 5.979 1.00 0.00 O ATOM 1809 OE2 GLU A 119 17.846 -19.986 4.666 1.00 0.00 O ATOM 0 H GLU A 119 18.172 -16.640 6.323 1.00 0.00 H new ATOM 0 HA GLU A 119 15.497 -17.523 5.913 1.00 0.00 H new ATOM 0 HB2 GLU A 119 17.127 -17.657 8.443 1.00 0.00 H new ATOM 0 HB3 GLU A 119 15.842 -18.721 7.907 1.00 0.00 H new ATOM 0 HG2 GLU A 119 18.521 -18.394 6.500 1.00 0.00 H new ATOM 0 HG3 GLU A 119 18.146 -19.680 7.631 1.00 0.00 H new ATOM 1816 N GLU A 120 15.775 -14.995 7.892 1.00 0.00 N ATOM 1817 CA GLU A 120 15.052 -13.805 8.217 1.00 0.00 C ATOM 1818 C GLU A 120 14.447 -13.078 7.065 1.00 0.00 C ATOM 1819 O GLU A 120 13.303 -12.640 7.177 1.00 0.00 O ATOM 1820 CB GLU A 120 15.942 -12.848 9.027 1.00 0.00 C ATOM 1821 CG GLU A 120 16.380 -13.349 10.405 1.00 0.00 C ATOM 1822 CD GLU A 120 17.512 -12.503 10.971 1.00 0.00 C ATOM 1823 OE1 GLU A 120 18.694 -12.866 10.729 1.00 0.00 O ATOM 1824 OE2 GLU A 120 17.186 -11.538 11.713 1.00 0.00 O ATOM 0 H GLU A 120 16.729 -15.005 8.253 1.00 0.00 H new ATOM 0 HA GLU A 120 14.205 -14.152 8.808 1.00 0.00 H new ATOM 0 HB2 GLU A 120 16.834 -12.629 8.441 1.00 0.00 H new ATOM 0 HB3 GLU A 120 15.407 -11.907 9.157 1.00 0.00 H new ATOM 0 HG2 GLU A 120 15.531 -13.327 11.088 1.00 0.00 H new ATOM 0 HG3 GLU A 120 16.702 -14.388 10.330 1.00 0.00 H new ATOM 1831 N VAL A 121 15.155 -12.993 5.924 1.00 0.00 N ATOM 1832 CA VAL A 121 14.569 -12.294 4.823 1.00 0.00 C ATOM 1833 C VAL A 121 13.370 -12.988 4.273 1.00 0.00 C ATOM 1834 O VAL A 121 12.317 -12.377 4.101 1.00 0.00 O ATOM 1835 CB VAL A 121 15.622 -12.037 3.787 1.00 0.00 C ATOM 1836 CG1 VAL A 121 15.072 -11.310 2.548 1.00 0.00 C ATOM 1837 CG2 VAL A 121 16.688 -11.081 4.350 1.00 0.00 C ATOM 0 H VAL A 121 16.083 -13.385 5.766 1.00 0.00 H new ATOM 0 HA VAL A 121 14.192 -11.335 5.178 1.00 0.00 H new ATOM 0 HB VAL A 121 16.013 -13.019 3.519 1.00 0.00 H new ATOM 0 HG11 VAL A 121 15.878 -11.151 1.832 1.00 0.00 H new ATOM 0 HG12 VAL A 121 14.292 -11.916 2.087 1.00 0.00 H new ATOM 0 HG13 VAL A 121 14.656 -10.348 2.846 1.00 0.00 H new ATOM 0 HG21 VAL A 121 17.450 -10.899 3.592 1.00 0.00 H new ATOM 0 HG22 VAL A 121 16.220 -10.137 4.628 1.00 0.00 H new ATOM 0 HG23 VAL A 121 17.151 -11.529 5.229 1.00 0.00 H new ATOM 1847 N ASP A 122 13.455 -14.327 4.186 1.00 0.00 N ATOM 1848 CA ASP A 122 12.395 -15.262 3.966 1.00 0.00 C ATOM 1849 C ASP A 122 11.172 -15.162 4.812 1.00 0.00 C ATOM 1850 O ASP A 122 10.050 -15.192 4.309 1.00 0.00 O ATOM 1851 CB ASP A 122 12.868 -16.720 4.089 1.00 0.00 C ATOM 1852 CG ASP A 122 12.439 -17.590 2.916 1.00 0.00 C ATOM 1853 OD1 ASP A 122 12.811 -17.293 1.749 1.00 0.00 O ATOM 1854 OD2 ASP A 122 11.656 -18.562 3.086 1.00 0.00 O ATOM 0 H ASP A 122 14.354 -14.799 4.279 1.00 0.00 H new ATOM 0 HA ASP A 122 12.107 -14.975 2.955 1.00 0.00 H new ATOM 0 HB2 ASP A 122 13.955 -16.737 4.167 1.00 0.00 H new ATOM 0 HB3 ASP A 122 12.475 -17.146 5.012 1.00 0.00 H new ATOM 1859 N GLU A 123 11.360 -14.974 6.130 1.00 0.00 N ATOM 1860 CA GLU A 123 10.352 -14.583 7.066 1.00 0.00 C ATOM 1861 C GLU A 123 9.646 -13.311 6.745 1.00 0.00 C ATOM 1862 O GLU A 123 8.416 -13.292 6.739 1.00 0.00 O ATOM 1863 CB GLU A 123 10.963 -14.609 8.477 1.00 0.00 C ATOM 1864 CG GLU A 123 11.406 -16.005 8.921 1.00 0.00 C ATOM 1865 CD GLU A 123 12.204 -15.967 10.216 1.00 0.00 C ATOM 1866 OE1 GLU A 123 11.855 -15.277 11.211 1.00 0.00 O ATOM 1867 OE2 GLU A 123 13.150 -16.798 10.269 1.00 0.00 O ATOM 0 H GLU A 123 12.272 -15.103 6.569 1.00 0.00 H new ATOM 0 HA GLU A 123 9.542 -15.310 7.005 1.00 0.00 H new ATOM 0 HB2 GLU A 123 11.821 -13.937 8.506 1.00 0.00 H new ATOM 0 HB3 GLU A 123 10.232 -14.224 9.189 1.00 0.00 H new ATOM 0 HG2 GLU A 123 10.529 -16.638 9.055 1.00 0.00 H new ATOM 0 HG3 GLU A 123 12.011 -16.460 8.136 1.00 0.00 H new ATOM 1874 N MET A 124 10.317 -12.218 6.341 1.00 0.00 N ATOM 1875 CA MET A 124 9.664 -10.963 6.132 1.00 0.00 C ATOM 1876 C MET A 124 8.733 -10.968 4.969 1.00 0.00 C ATOM 1877 O MET A 124 7.649 -10.388 4.949 1.00 0.00 O ATOM 1878 CB MET A 124 10.758 -9.883 6.071 1.00 0.00 C ATOM 1879 CG MET A 124 11.659 -9.699 7.293 1.00 0.00 C ATOM 1880 SD MET A 124 12.563 -8.122 7.293 1.00 0.00 S ATOM 1881 CE MET A 124 13.154 -8.358 8.994 1.00 0.00 C ATOM 0 H MET A 124 11.320 -12.204 6.158 1.00 0.00 H new ATOM 0 HA MET A 124 8.995 -10.742 6.963 1.00 0.00 H new ATOM 0 HB2 MET A 124 11.397 -10.104 5.216 1.00 0.00 H new ATOM 0 HB3 MET A 124 10.273 -8.928 5.868 1.00 0.00 H new ATOM 0 HG2 MET A 124 11.051 -9.761 8.196 1.00 0.00 H new ATOM 0 HG3 MET A 124 12.375 -10.520 7.334 1.00 0.00 H new ATOM 0 HE1 MET A 124 13.768 -7.506 9.287 1.00 0.00 H new ATOM 0 HE2 MET A 124 12.301 -8.440 9.668 1.00 0.00 H new ATOM 0 HE3 MET A 124 13.749 -9.270 9.049 1.00 0.00 H new ATOM 1891 N ILE A 125 9.111 -11.678 3.891 1.00 0.00 N ATOM 1892 CA ILE A 125 8.277 -12.063 2.795 1.00 0.00 C ATOM 1893 C ILE A 125 7.113 -12.901 3.200 1.00 0.00 C ATOM 1894 O ILE A 125 5.981 -12.426 3.124 1.00 0.00 O ATOM 1895 CB ILE A 125 9.040 -12.627 1.634 1.00 0.00 C ATOM 1896 CG1 ILE A 125 10.182 -11.727 1.132 1.00 0.00 C ATOM 1897 CG2 ILE A 125 8.078 -12.880 0.461 1.00 0.00 C ATOM 1898 CD1 ILE A 125 9.858 -10.300 0.693 1.00 0.00 C ATOM 0 H ILE A 125 10.070 -12.006 3.778 1.00 0.00 H new ATOM 0 HA ILE A 125 7.844 -11.132 2.428 1.00 0.00 H new ATOM 0 HB ILE A 125 9.494 -13.549 1.998 1.00 0.00 H new ATOM 0 HG12 ILE A 125 10.927 -11.667 1.925 1.00 0.00 H new ATOM 0 HG13 ILE A 125 10.654 -12.232 0.289 1.00 0.00 H new ATOM 0 HG21 ILE A 125 8.633 -13.290 -0.383 1.00 0.00 H new ATOM 0 HG22 ILE A 125 7.309 -13.588 0.768 1.00 0.00 H new ATOM 0 HG23 ILE A 125 7.610 -11.941 0.165 1.00 0.00 H new ATOM 0 HD11 ILE A 125 10.772 -9.803 0.368 1.00 0.00 H new ATOM 0 HD12 ILE A 125 9.146 -10.326 -0.132 1.00 0.00 H new ATOM 0 HD13 ILE A 125 9.424 -9.752 1.529 1.00 0.00 H new ATOM 1910 N ARG A 126 7.387 -14.118 3.703 1.00 0.00 N ATOM 1911 CA ARG A 126 6.476 -15.124 4.151 1.00 0.00 C ATOM 1912 C ARG A 126 5.382 -14.604 5.018 1.00 0.00 C ATOM 1913 O ARG A 126 4.201 -14.930 4.904 1.00 0.00 O ATOM 1914 CB ARG A 126 7.305 -16.216 4.849 1.00 0.00 C ATOM 1915 CG ARG A 126 7.818 -17.206 3.801 1.00 0.00 C ATOM 1916 CD ARG A 126 8.306 -18.453 4.542 1.00 0.00 C ATOM 1917 NE ARG A 126 9.689 -18.205 5.037 1.00 0.00 N ATOM 1918 CZ ARG A 126 10.091 -18.534 6.300 1.00 0.00 C ATOM 1919 NH1 ARG A 126 9.239 -18.613 7.363 1.00 0.00 N ATOM 1920 NH2 ARG A 126 11.417 -18.771 6.525 1.00 0.00 N ATOM 0 H ARG A 126 8.354 -14.427 3.805 1.00 0.00 H new ATOM 0 HA ARG A 126 5.949 -15.533 3.289 1.00 0.00 H new ATOM 0 HB2 ARG A 126 8.142 -15.768 5.384 1.00 0.00 H new ATOM 0 HB3 ARG A 126 6.696 -16.735 5.589 1.00 0.00 H new ATOM 0 HG2 ARG A 126 7.026 -17.464 3.098 1.00 0.00 H new ATOM 0 HG3 ARG A 126 8.628 -16.764 3.221 1.00 0.00 H new ATOM 0 HD2 ARG A 126 7.642 -18.681 5.376 1.00 0.00 H new ATOM 0 HD3 ARG A 126 8.292 -19.317 3.878 1.00 0.00 H new ATOM 0 HE ARG A 126 10.364 -17.772 4.407 1.00 0.00 H new ATOM 0 HH11 ARG A 126 8.245 -18.421 7.235 1.00 0.00 H new ATOM 0 HH12 ARG A 126 9.596 -18.864 8.285 1.00 0.00 H new ATOM 0 HH21 ARG A 126 12.085 -18.701 5.757 1.00 0.00 H new ATOM 0 HH22 ARG A 126 11.739 -19.018 7.461 1.00 0.00 H new ATOM 1934 N GLU A 127 5.757 -13.827 6.050 1.00 0.00 N ATOM 1935 CA GLU A 127 4.876 -13.386 7.087 1.00 0.00 C ATOM 1936 C GLU A 127 4.065 -12.193 6.714 1.00 0.00 C ATOM 1937 O GLU A 127 2.901 -12.161 7.110 1.00 0.00 O ATOM 1938 CB GLU A 127 5.593 -13.013 8.396 1.00 0.00 C ATOM 1939 CG GLU A 127 6.020 -14.237 9.208 1.00 0.00 C ATOM 1940 CD GLU A 127 6.348 -13.825 10.636 1.00 0.00 C ATOM 1941 OE1 GLU A 127 5.426 -13.757 11.492 1.00 0.00 O ATOM 1942 OE2 GLU A 127 7.555 -13.622 10.937 1.00 0.00 O ATOM 0 H GLU A 127 6.713 -13.492 6.167 1.00 0.00 H new ATOM 0 HA GLU A 127 4.238 -14.258 7.235 1.00 0.00 H new ATOM 0 HB2 GLU A 127 6.472 -12.412 8.165 1.00 0.00 H new ATOM 0 HB3 GLU A 127 4.933 -12.393 9.002 1.00 0.00 H new ATOM 0 HG2 GLU A 127 5.222 -14.980 9.209 1.00 0.00 H new ATOM 0 HG3 GLU A 127 6.890 -14.705 8.747 1.00 0.00 H new ATOM 1949 N ALA A 128 4.605 -11.287 5.879 1.00 0.00 N ATOM 1950 CA ALA A 128 3.828 -10.262 5.256 1.00 0.00 C ATOM 1951 C ALA A 128 2.886 -10.770 4.219 1.00 0.00 C ATOM 1952 O ALA A 128 1.756 -10.333 4.006 1.00 0.00 O ATOM 1953 CB ALA A 128 4.806 -9.210 4.705 1.00 0.00 C ATOM 0 H ALA A 128 5.595 -11.266 5.633 1.00 0.00 H new ATOM 0 HA ALA A 128 3.170 -9.812 5.999 1.00 0.00 H new ATOM 0 HB1 ALA A 128 4.245 -8.410 4.221 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.395 -8.796 5.524 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.472 -9.677 3.979 1.00 0.00 H new ATOM 1959 N ASP A 129 3.340 -11.677 3.335 1.00 0.00 N ATOM 1960 CA ASP A 129 2.639 -12.221 2.214 1.00 0.00 C ATOM 1961 C ASP A 129 1.422 -12.937 2.689 1.00 0.00 C ATOM 1962 O ASP A 129 1.504 -13.961 3.365 1.00 0.00 O ATOM 1963 CB ASP A 129 3.437 -13.111 1.245 1.00 0.00 C ATOM 1964 CG ASP A 129 2.802 -13.543 -0.069 1.00 0.00 C ATOM 1965 OD1 ASP A 129 1.781 -12.925 -0.473 1.00 0.00 O ATOM 1966 OD2 ASP A 129 3.343 -14.543 -0.612 1.00 0.00 O ATOM 0 H ASP A 129 4.281 -12.062 3.414 1.00 0.00 H new ATOM 0 HA ASP A 129 2.393 -11.350 1.607 1.00 0.00 H new ATOM 0 HB2 ASP A 129 4.361 -12.586 1.004 1.00 0.00 H new ATOM 0 HB3 ASP A 129 3.716 -14.015 1.786 1.00 0.00 H new ATOM 1971 N ILE A 130 0.249 -12.452 2.245 1.00 0.00 N ATOM 1972 CA ILE A 130 -1.010 -13.068 2.531 1.00 0.00 C ATOM 1973 C ILE A 130 -1.405 -14.036 1.470 1.00 0.00 C ATOM 1974 O ILE A 130 -1.622 -15.222 1.716 1.00 0.00 O ATOM 1975 CB ILE A 130 -2.125 -12.091 2.760 1.00 0.00 C ATOM 1976 CG1 ILE A 130 -1.801 -11.407 4.099 1.00 0.00 C ATOM 1977 CG2 ILE A 130 -3.525 -12.723 2.829 1.00 0.00 C ATOM 1978 CD1 ILE A 130 -2.685 -10.166 4.215 1.00 0.00 C ATOM 0 H ILE A 130 0.173 -11.611 1.673 1.00 0.00 H new ATOM 0 HA ILE A 130 -0.852 -13.601 3.468 1.00 0.00 H new ATOM 0 HB ILE A 130 -2.173 -11.406 1.914 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -1.986 -12.087 4.930 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -0.747 -11.131 4.142 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -4.268 -11.944 2.997 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -3.740 -13.234 1.890 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -3.560 -13.440 3.649 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -2.478 -9.658 5.157 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -2.475 -9.491 3.385 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -3.734 -10.462 4.186 1.00 0.00 H new ATOM 1990 N ASP A 131 -1.461 -13.611 0.195 1.00 0.00 N ATOM 1991 CA ASP A 131 -2.181 -14.265 -0.853 1.00 0.00 C ATOM 1992 C ASP A 131 -1.414 -15.129 -1.794 1.00 0.00 C ATOM 1993 O ASP A 131 -1.909 -15.430 -2.879 1.00 0.00 O ATOM 1994 CB ASP A 131 -2.999 -13.229 -1.643 1.00 0.00 C ATOM 1995 CG ASP A 131 -2.102 -12.209 -2.331 1.00 0.00 C ATOM 1996 OD1 ASP A 131 -1.262 -11.597 -1.620 1.00 0.00 O ATOM 1997 OD2 ASP A 131 -2.150 -12.061 -3.581 1.00 0.00 O ATOM 0 H ASP A 131 -0.980 -12.769 -0.120 1.00 0.00 H new ATOM 0 HA ASP A 131 -2.810 -14.978 -0.320 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -3.609 -13.739 -2.389 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -3.684 -12.715 -0.969 1.00 0.00 H new ATOM 2002 N GLY A 132 -0.213 -15.551 -1.361 1.00 0.00 N ATOM 2003 CA GLY A 132 0.469 -16.723 -1.814 1.00 0.00 C ATOM 2004 C GLY A 132 1.273 -16.538 -3.055 1.00 0.00 C ATOM 2005 O GLY A 132 1.584 -17.553 -3.676 1.00 0.00 O ATOM 0 H GLY A 132 0.314 -15.042 -0.651 1.00 0.00 H new ATOM 0 HA2 GLY A 132 1.128 -17.072 -1.020 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -0.266 -17.509 -1.988 1.00 0.00 H new ATOM 2009 N ASP A 133 1.547 -15.298 -3.500 1.00 0.00 N ATOM 2010 CA ASP A 133 2.106 -14.953 -4.770 1.00 0.00 C ATOM 2011 C ASP A 133 3.586 -14.786 -4.733 1.00 0.00 C ATOM 2012 O ASP A 133 4.274 -14.936 -5.741 1.00 0.00 O ATOM 2013 CB ASP A 133 1.415 -13.711 -5.358 1.00 0.00 C ATOM 2014 CG ASP A 133 1.665 -12.450 -4.544 1.00 0.00 C ATOM 2015 OD1 ASP A 133 1.540 -12.485 -3.290 1.00 0.00 O ATOM 2016 OD2 ASP A 133 2.033 -11.396 -5.128 1.00 0.00 O ATOM 0 H ASP A 133 1.363 -14.475 -2.926 1.00 0.00 H new ATOM 0 HA ASP A 133 1.915 -15.798 -5.431 1.00 0.00 H new ATOM 0 HB2 ASP A 133 1.767 -13.554 -6.377 1.00 0.00 H new ATOM 0 HB3 ASP A 133 0.342 -13.892 -5.416 1.00 0.00 H new ATOM 2021 N GLY A 134 4.117 -14.588 -3.513 1.00 0.00 N ATOM 2022 CA GLY A 134 5.529 -14.629 -3.292 1.00 0.00 C ATOM 2023 C GLY A 134 6.161 -13.287 -3.153 1.00 0.00 C ATOM 2024 O GLY A 134 7.376 -13.203 -2.977 1.00 0.00 O ATOM 0 H GLY A 134 3.565 -14.399 -2.676 1.00 0.00 H new ATOM 0 HA2 GLY A 134 5.728 -15.208 -2.390 1.00 0.00 H new ATOM 0 HA3 GLY A 134 6.001 -15.157 -4.121 1.00 0.00 H new ATOM 2028 N GLN A 135 5.349 -12.237 -3.367 1.00 0.00 N ATOM 2029 CA GLN A 135 5.741 -10.882 -3.130 1.00 0.00 C ATOM 2030 C GLN A 135 4.821 -10.092 -2.264 1.00 0.00 C ATOM 2031 O GLN A 135 3.714 -10.508 -1.924 1.00 0.00 O ATOM 2032 CB GLN A 135 5.790 -10.086 -4.445 1.00 0.00 C ATOM 2033 CG GLN A 135 6.793 -10.695 -5.426 1.00 0.00 C ATOM 2034 CD GLN A 135 7.129 -9.681 -6.510 1.00 0.00 C ATOM 2035 OE1 GLN A 135 8.192 -9.067 -6.589 1.00 0.00 O ATOM 2036 NE2 GLN A 135 6.159 -9.458 -7.437 1.00 0.00 N ATOM 0 H GLN A 135 4.395 -12.332 -3.714 1.00 0.00 H new ATOM 0 HA GLN A 135 6.706 -10.995 -2.636 1.00 0.00 H new ATOM 0 HB2 GLN A 135 4.799 -10.068 -4.899 1.00 0.00 H new ATOM 0 HB3 GLN A 135 6.064 -9.052 -4.237 1.00 0.00 H new ATOM 0 HG2 GLN A 135 7.699 -10.991 -4.898 1.00 0.00 H new ATOM 0 HG3 GLN A 135 6.376 -11.597 -5.874 1.00 0.00 H new ATOM 0 HE21 GLN A 135 5.274 -9.962 -7.380 1.00 0.00 H new ATOM 0 HE22 GLN A 135 6.317 -8.787 -8.189 1.00 0.00 H new ATOM 2045 N VAL A 136 5.316 -8.949 -1.756 1.00 0.00 N ATOM 2046 CA VAL A 136 4.848 -8.118 -0.690 1.00 0.00 C ATOM 2047 C VAL A 136 4.520 -6.782 -1.261 1.00 0.00 C ATOM 2048 O VAL A 136 5.334 -6.133 -1.917 1.00 0.00 O ATOM 2049 CB VAL A 136 5.861 -7.907 0.396 1.00 0.00 C ATOM 2050 CG1 VAL A 136 5.582 -6.759 1.380 1.00 0.00 C ATOM 2051 CG2 VAL A 136 6.008 -9.234 1.160 1.00 0.00 C ATOM 0 H VAL A 136 6.168 -8.556 -2.155 1.00 0.00 H new ATOM 0 HA VAL A 136 3.989 -8.620 -0.245 1.00 0.00 H new ATOM 0 HB VAL A 136 6.780 -7.597 -0.102 1.00 0.00 H new ATOM 0 HG11 VAL A 136 6.384 -6.708 2.116 1.00 0.00 H new ATOM 0 HG12 VAL A 136 5.530 -5.817 0.834 1.00 0.00 H new ATOM 0 HG13 VAL A 136 4.634 -6.937 1.888 1.00 0.00 H new ATOM 0 HG21 VAL A 136 6.740 -9.115 1.959 1.00 0.00 H new ATOM 0 HG22 VAL A 136 5.046 -9.516 1.588 1.00 0.00 H new ATOM 0 HG23 VAL A 136 6.343 -10.013 0.475 1.00 0.00 H new ATOM 2061 N ASN A 137 3.220 -6.442 -1.206 1.00 0.00 N ATOM 2062 CA ASN A 137 2.668 -5.216 -1.692 1.00 0.00 C ATOM 2063 C ASN A 137 2.692 -4.160 -0.641 1.00 0.00 C ATOM 2064 O ASN A 137 3.216 -4.370 0.451 1.00 0.00 O ATOM 2065 CB ASN A 137 1.398 -5.396 -2.542 1.00 0.00 C ATOM 2066 CG ASN A 137 0.150 -5.778 -1.759 1.00 0.00 C ATOM 2067 OD1 ASN A 137 -0.122 -5.144 -0.741 1.00 0.00 O ATOM 2068 ND2 ASN A 137 -0.631 -6.776 -2.253 1.00 0.00 N ATOM 0 H ASN A 137 2.515 -7.057 -0.800 1.00 0.00 H new ATOM 0 HA ASN A 137 3.325 -4.803 -2.457 1.00 0.00 H new ATOM 0 HB2 ASN A 137 1.203 -4.467 -3.078 1.00 0.00 H new ATOM 0 HB3 ASN A 137 1.587 -6.163 -3.293 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -1.494 -7.033 -1.774 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -0.354 -7.267 -3.103 1.00 0.00 H new ATOM 2075 N TYR A 138 2.108 -2.983 -0.929 1.00 0.00 N ATOM 2076 CA TYR A 138 2.063 -1.875 -0.026 1.00 0.00 C ATOM 2077 C TYR A 138 1.289 -2.110 1.225 1.00 0.00 C ATOM 2078 O TYR A 138 1.783 -1.821 2.314 1.00 0.00 O ATOM 2079 CB TYR A 138 1.618 -0.573 -0.714 1.00 0.00 C ATOM 2080 CG TYR A 138 2.021 0.608 0.099 1.00 0.00 C ATOM 2081 CD1 TYR A 138 3.242 1.218 -0.066 1.00 0.00 C ATOM 2082 CD2 TYR A 138 1.064 1.203 0.886 1.00 0.00 C ATOM 2083 CE1 TYR A 138 3.503 2.404 0.579 1.00 0.00 C ATOM 2084 CE2 TYR A 138 1.336 2.357 1.583 1.00 0.00 C ATOM 2085 CZ TYR A 138 2.557 2.964 1.406 1.00 0.00 C ATOM 2086 OH TYR A 138 2.925 4.177 2.025 1.00 0.00 O ATOM 0 H TYR A 138 1.651 -2.796 -1.822 1.00 0.00 H new ATOM 0 HA TYR A 138 3.099 -1.760 0.292 1.00 0.00 H new ATOM 0 HB2 TYR A 138 2.063 -0.508 -1.707 1.00 0.00 H new ATOM 0 HB3 TYR A 138 0.536 -0.577 -0.850 1.00 0.00 H new ATOM 0 HD1 TYR A 138 3.992 0.768 -0.699 1.00 0.00 H new ATOM 0 HD2 TYR A 138 0.083 0.757 0.958 1.00 0.00 H new ATOM 0 HE1 TYR A 138 4.453 2.897 0.436 1.00 0.00 H new ATOM 0 HE2 TYR A 138 0.604 2.778 2.257 1.00 0.00 H new ATOM 0 HH TYR A 138 2.188 4.493 2.589 1.00 0.00 H new ATOM 2096 N GLU A 139 0.151 -2.816 1.100 1.00 0.00 N ATOM 2097 CA GLU A 139 -0.689 -3.038 2.236 1.00 0.00 C ATOM 2098 C GLU A 139 -0.181 -4.111 3.135 1.00 0.00 C ATOM 2099 O GLU A 139 -0.305 -4.025 4.356 1.00 0.00 O ATOM 2100 CB GLU A 139 -2.098 -3.445 1.772 1.00 0.00 C ATOM 2101 CG GLU A 139 -2.843 -2.362 0.990 1.00 0.00 C ATOM 2102 CD GLU A 139 -2.626 -2.424 -0.515 1.00 0.00 C ATOM 2103 OE1 GLU A 139 -3.383 -3.210 -1.146 1.00 0.00 O ATOM 2104 OE2 GLU A 139 -1.883 -1.563 -1.057 1.00 0.00 O ATOM 0 H GLU A 139 -0.184 -3.227 0.228 1.00 0.00 H new ATOM 0 HA GLU A 139 -0.703 -2.101 2.792 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -2.019 -4.336 1.149 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -2.690 -3.718 2.645 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -3.910 -2.448 1.197 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -2.526 -1.384 1.352 1.00 0.00 H new ATOM 2111 N GLU A 140 0.518 -5.081 2.518 1.00 0.00 N ATOM 2112 CA GLU A 140 1.146 -6.166 3.207 1.00 0.00 C ATOM 2113 C GLU A 140 2.370 -5.676 3.901 1.00 0.00 C ATOM 2114 O GLU A 140 2.813 -6.262 4.888 1.00 0.00 O ATOM 2115 CB GLU A 140 1.550 -7.276 2.223 1.00 0.00 C ATOM 2116 CG GLU A 140 0.418 -7.753 1.311 1.00 0.00 C ATOM 2117 CD GLU A 140 0.794 -8.881 0.360 1.00 0.00 C ATOM 2118 OE1 GLU A 140 1.374 -8.644 -0.733 1.00 0.00 O ATOM 2119 OE2 GLU A 140 0.495 -10.062 0.680 1.00 0.00 O ATOM 0 H GLU A 140 0.650 -5.111 1.507 1.00 0.00 H new ATOM 0 HA GLU A 140 0.436 -6.568 3.929 1.00 0.00 H new ATOM 0 HB2 GLU A 140 2.372 -6.915 1.604 1.00 0.00 H new ATOM 0 HB3 GLU A 140 1.928 -8.127 2.789 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -0.415 -8.083 1.932 1.00 0.00 H new ATOM 0 HG3 GLU A 140 0.062 -6.906 0.724 1.00 0.00 H new ATOM 2126 N PHE A 141 3.034 -4.619 3.403 1.00 0.00 N ATOM 2127 CA PHE A 141 4.166 -4.013 4.033 1.00 0.00 C ATOM 2128 C PHE A 141 3.773 -3.201 5.218 1.00 0.00 C ATOM 2129 O PHE A 141 4.334 -3.393 6.296 1.00 0.00 O ATOM 2130 CB PHE A 141 4.924 -3.302 2.899 1.00 0.00 C ATOM 2131 CG PHE A 141 6.064 -2.561 3.508 1.00 0.00 C ATOM 2132 CD1 PHE A 141 5.942 -1.256 3.924 1.00 0.00 C ATOM 2133 CD2 PHE A 141 7.308 -3.146 3.476 1.00 0.00 C ATOM 2134 CE1 PHE A 141 7.069 -0.477 4.038 1.00 0.00 C ATOM 2135 CE2 PHE A 141 8.434 -2.405 3.747 1.00 0.00 C ATOM 2136 CZ PHE A 141 8.312 -1.064 4.028 1.00 0.00 C ATOM 0 H PHE A 141 2.772 -4.168 2.526 1.00 0.00 H new ATOM 0 HA PHE A 141 4.850 -4.723 4.498 1.00 0.00 H new ATOM 0 HB2 PHE A 141 5.285 -4.026 2.169 1.00 0.00 H new ATOM 0 HB3 PHE A 141 4.263 -2.617 2.368 1.00 0.00 H new ATOM 0 HD1 PHE A 141 4.970 -0.847 4.159 1.00 0.00 H new ATOM 0 HD2 PHE A 141 7.401 -4.195 3.236 1.00 0.00 H new ATOM 0 HE1 PHE A 141 6.978 0.595 4.135 1.00 0.00 H new ATOM 0 HE2 PHE A 141 9.408 -2.873 3.739 1.00 0.00 H new ATOM 0 HZ PHE A 141 9.191 -0.473 4.240 1.00 0.00 H new ATOM 2146 N VAL A 142 2.822 -2.277 4.992 1.00 0.00 N ATOM 2147 CA VAL A 142 2.273 -1.385 5.965 1.00 0.00 C ATOM 2148 C VAL A 142 1.634 -1.974 7.175 1.00 0.00 C ATOM 2149 O VAL A 142 1.398 -1.353 8.210 1.00 0.00 O ATOM 2150 CB VAL A 142 1.432 -0.342 5.289 1.00 0.00 C ATOM 2151 CG1 VAL A 142 -0.077 -0.629 5.364 1.00 0.00 C ATOM 2152 CG2 VAL A 142 1.682 0.980 6.033 1.00 0.00 C ATOM 0 H VAL A 142 2.410 -2.145 4.068 1.00 0.00 H new ATOM 0 HA VAL A 142 3.144 -0.918 6.424 1.00 0.00 H new ATOM 0 HB VAL A 142 1.709 -0.319 4.235 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -0.624 0.165 4.855 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -0.290 -1.583 4.882 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -0.388 -0.672 6.408 1.00 0.00 H new ATOM 0 HG21 VAL A 142 1.089 1.772 5.576 1.00 0.00 H new ATOM 0 HG22 VAL A 142 1.395 0.869 7.079 1.00 0.00 H new ATOM 0 HG23 VAL A 142 2.740 1.237 5.973 1.00 0.00 H new ATOM 2162 N GLN A 143 1.308 -3.276 7.081 1.00 0.00 N ATOM 2163 CA GLN A 143 0.795 -4.042 8.174 1.00 0.00 C ATOM 2164 C GLN A 143 1.804 -4.392 9.213 1.00 0.00 C ATOM 2165 O GLN A 143 1.515 -4.567 10.396 1.00 0.00 O ATOM 2166 CB GLN A 143 0.156 -5.297 7.558 1.00 0.00 C ATOM 2167 CG GLN A 143 -0.403 -6.338 8.530 1.00 0.00 C ATOM 2168 CD GLN A 143 -0.992 -7.501 7.743 1.00 0.00 C ATOM 2169 OE1 GLN A 143 -0.970 -7.615 6.519 1.00 0.00 O ATOM 2170 NE2 GLN A 143 -1.632 -8.432 8.500 1.00 0.00 N ATOM 0 H GLN A 143 1.404 -3.812 6.218 1.00 0.00 H new ATOM 0 HA GLN A 143 0.070 -3.439 8.721 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -0.653 -4.978 6.901 1.00 0.00 H new ATOM 0 HB3 GLN A 143 0.902 -5.785 6.931 1.00 0.00 H new ATOM 0 HG2 GLN A 143 0.387 -6.695 9.191 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -1.168 -5.887 9.162 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -1.651 -8.338 9.516 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -2.093 -9.224 8.052 1.00 0.00 H new ATOM 2179 N MET A 144 3.077 -4.432 8.781 1.00 0.00 N ATOM 2180 CA MET A 144 4.129 -4.764 9.691 1.00 0.00 C ATOM 2181 C MET A 144 4.688 -3.583 10.407 1.00 0.00 C ATOM 2182 O MET A 144 4.946 -3.669 11.607 1.00 0.00 O ATOM 2183 CB MET A 144 5.207 -5.521 8.897 1.00 0.00 C ATOM 2184 CG MET A 144 4.726 -6.842 8.294 1.00 0.00 C ATOM 2185 SD MET A 144 5.918 -8.208 8.159 1.00 0.00 S ATOM 2186 CE MET A 144 7.205 -7.509 7.085 1.00 0.00 C ATOM 0 H MET A 144 3.374 -4.239 7.824 1.00 0.00 H new ATOM 0 HA MET A 144 3.727 -5.393 10.485 1.00 0.00 H new ATOM 0 HB2 MET A 144 5.570 -4.879 8.095 1.00 0.00 H new ATOM 0 HB3 MET A 144 6.054 -5.721 9.554 1.00 0.00 H new ATOM 0 HG2 MET A 144 3.883 -7.193 8.890 1.00 0.00 H new ATOM 0 HG3 MET A 144 4.345 -6.633 7.295 1.00 0.00 H new ATOM 0 HE1 MET A 144 7.864 -8.306 6.741 1.00 0.00 H new ATOM 0 HE2 MET A 144 6.739 -7.027 6.226 1.00 0.00 H new ATOM 0 HE3 MET A 144 7.785 -6.774 7.643 1.00 0.00 H new ATOM 2196 N MET A 145 4.846 -2.448 9.704 1.00 0.00 N ATOM 2197 CA MET A 145 5.199 -1.195 10.296 1.00 0.00 C ATOM 2198 C MET A 145 4.230 -0.714 11.321 1.00 0.00 C ATOM 2199 O MET A 145 4.603 -0.053 12.289 1.00 0.00 O ATOM 2200 CB MET A 145 5.523 -0.148 9.217 1.00 0.00 C ATOM 2201 CG MET A 145 6.931 -0.342 8.649 1.00 0.00 C ATOM 2202 SD MET A 145 7.630 1.140 7.861 1.00 0.00 S ATOM 2203 CE MET A 145 9.373 0.643 7.973 1.00 0.00 C ATOM 0 H MET A 145 4.724 -2.400 8.692 1.00 0.00 H new ATOM 0 HA MET A 145 6.113 -1.365 10.865 1.00 0.00 H new ATOM 0 HB2 MET A 145 4.792 -0.217 8.411 1.00 0.00 H new ATOM 0 HB3 MET A 145 5.436 0.852 9.642 1.00 0.00 H new ATOM 0 HG2 MET A 145 7.594 -0.659 9.454 1.00 0.00 H new ATOM 0 HG3 MET A 145 6.907 -1.151 7.919 1.00 0.00 H new ATOM 0 HE1 MET A 145 10.002 1.421 7.539 1.00 0.00 H new ATOM 0 HE2 MET A 145 9.644 0.499 9.019 1.00 0.00 H new ATOM 0 HE3 MET A 145 9.521 -0.289 7.428 1.00 0.00 H new