USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 633 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 38 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.009) USER MOD Set 2.1: A 11 GLN : amide:sc= -0.0405 X(o=-8.2,f=-7.7) USER MOD Set 2.2: A 14 CYS SG : rot -80:sc= -4.13! USER MOD Set 2.3: A 78 ASN : amide:sc= -4.03! C(o=-8.2!,f=-7.7!) USER MOD Set 3.1: A 8 SER OG : rot 100:sc= 0.0851 USER MOD Set 3.2: A 66 LYS NZ :NH3+ -158:sc= -2.33 (180deg=-3.48!) USER MOD Single : A 1 GLY N :NH3+ -126:sc= -0.261 (180deg=-1.49!) USER MOD Single : A 4 ASN : amide:sc=-0.00898 X(o=-0.009,f=-0.094) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -160:sc= -1.74 USER MOD Single : A 22 LYS NZ :NH3+ -156:sc= -0.434 (180deg=-1.21) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 162:sc= -0.0547 (180deg=-0.491) USER MOD Single : A 31 THR OG1 : rot 22:sc= 0.344 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -73:sc= -0.78 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -170:sc= -0.576 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -157:sc= 0.731 (180deg=0.0111) USER MOD Single : A 56 CYS SG : rot 51:sc= 1.12 USER MOD Single : A 58 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.3) USER MOD Single : A 61 SER OG : rot 180:sc= 0.0338 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.364 K(o=-0.36,f=-3.2!) USER MOD Single : A 67 MET CE :methyl -147:sc= -0.156 (180deg=-0.945) USER MOD Single : A 71 MET CE :methyl -140:sc= 0 (180deg=-0.725) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.0101 K(o=-0.01,f=-1.9!) USER MOD Single : A 82 MET CE :methyl -177:sc= 0 (180deg=-0.00798) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.765 5.908 11.406 1.00 0.00 N ATOM 2 CA GLY A 1 -14.674 7.078 11.253 1.00 0.00 C ATOM 3 C GLY A 1 -15.996 6.787 11.960 1.00 0.00 C ATOM 4 O GLY A 1 -16.253 7.301 13.050 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.859 6.223 11.808 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.202 5.210 12.041 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.599 5.473 10.476 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.211 7.970 11.675 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.850 7.280 10.197 1.00 0.00 H new ATOM 10 N PRO A 2 -16.832 5.977 11.360 1.00 0.00 N ATOM 11 CA PRO A 2 -18.159 5.607 11.944 1.00 0.00 C ATOM 12 C PRO A 2 -18.012 4.745 13.198 1.00 0.00 C ATOM 13 O PRO A 2 -18.933 4.652 14.012 1.00 0.00 O ATOM 14 CB PRO A 2 -18.855 4.839 10.804 1.00 0.00 C ATOM 15 CG PRO A 2 -17.740 4.306 9.958 1.00 0.00 C ATOM 16 CD PRO A 2 -16.601 5.322 10.062 1.00 0.00 C ATOM 0 HA PRO A 2 -18.726 6.477 12.275 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -19.476 4.032 11.193 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -19.509 5.494 10.228 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -17.420 3.325 10.309 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -18.060 4.185 8.923 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -15.626 4.835 10.027 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -16.628 6.039 9.242 1.00 0.00 H new ATOM 24 N GLY A 3 -16.852 4.115 13.344 1.00 0.00 N ATOM 25 CA GLY A 3 -16.595 3.257 14.497 1.00 0.00 C ATOM 26 C GLY A 3 -17.135 1.853 14.251 1.00 0.00 C ATOM 27 O GLY A 3 -17.674 1.563 13.182 1.00 0.00 O ATOM 0 H GLY A 3 -16.078 4.181 12.683 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -15.524 3.212 14.692 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -17.063 3.682 15.385 1.00 0.00 H new ATOM 31 N ASN A 4 -16.986 0.985 15.247 1.00 0.00 N ATOM 32 CA ASN A 4 -17.462 -0.391 15.132 1.00 0.00 C ATOM 33 C ASN A 4 -18.915 -0.496 15.580 1.00 0.00 C ATOM 34 O ASN A 4 -19.205 -0.990 16.670 1.00 0.00 O ATOM 35 CB ASN A 4 -16.600 -1.312 15.996 1.00 0.00 C ATOM 36 CG ASN A 4 -16.942 -2.769 15.705 1.00 0.00 C ATOM 37 OD1 ASN A 4 -16.894 -3.200 14.552 1.00 0.00 O ATOM 38 ND2 ASN A 4 -17.293 -3.556 16.683 1.00 0.00 N ATOM 0 H ASN A 4 -16.542 1.207 16.138 1.00 0.00 H new ATOM 0 HA ASN A 4 -17.391 -0.693 14.087 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -15.544 -1.130 15.795 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -16.765 -1.095 17.051 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -17.528 -4.530 16.494 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -17.332 -3.198 17.637 1.00 0.00 H new ATOM 45 N ASP A 5 -19.827 -0.027 14.732 1.00 0.00 N ATOM 46 CA ASP A 5 -21.258 -0.071 15.043 1.00 0.00 C ATOM 47 C ASP A 5 -22.062 -0.429 13.798 1.00 0.00 C ATOM 48 O ASP A 5 -22.772 0.411 13.243 1.00 0.00 O ATOM 49 CB ASP A 5 -21.718 1.284 15.581 1.00 0.00 C ATOM 50 CG ASP A 5 -21.360 2.386 14.592 1.00 0.00 C ATOM 51 OD1 ASP A 5 -20.569 2.123 13.701 1.00 0.00 O ATOM 52 OD2 ASP A 5 -21.882 3.478 14.739 1.00 0.00 O ATOM 0 H ASP A 5 -19.604 0.387 13.827 1.00 0.00 H new ATOM 0 HA ASP A 5 -21.425 -0.835 15.802 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -22.795 1.271 15.750 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -21.247 1.481 16.544 1.00 0.00 H new ATOM 57 N PRO A 6 -21.961 -1.654 13.351 1.00 0.00 N ATOM 58 CA PRO A 6 -22.694 -2.132 12.140 1.00 0.00 C ATOM 59 C PRO A 6 -24.205 -1.941 12.273 1.00 0.00 C ATOM 60 O PRO A 6 -24.779 -2.165 13.338 1.00 0.00 O ATOM 61 CB PRO A 6 -22.331 -3.630 12.064 1.00 0.00 C ATOM 62 CG PRO A 6 -21.054 -3.760 12.833 1.00 0.00 C ATOM 63 CD PRO A 6 -21.133 -2.717 13.945 1.00 0.00 C ATOM 0 HA PRO A 6 -22.417 -1.577 11.244 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -23.117 -4.249 12.497 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -22.204 -3.953 11.031 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -20.945 -4.763 13.245 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -20.191 -3.583 12.191 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -21.588 -3.125 14.848 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -20.145 -2.350 14.224 1.00 0.00 H new ATOM 71 N ILE A 7 -24.843 -1.542 11.181 1.00 0.00 N ATOM 72 CA ILE A 7 -26.287 -1.340 11.182 1.00 0.00 C ATOM 73 C ILE A 7 -27.009 -2.676 11.296 1.00 0.00 C ATOM 74 O ILE A 7 -28.214 -2.720 11.535 1.00 0.00 O ATOM 75 CB ILE A 7 -26.714 -0.616 9.897 1.00 0.00 C ATOM 76 CG1 ILE A 7 -26.342 0.862 10.006 1.00 0.00 C ATOM 77 CG2 ILE A 7 -28.229 -0.743 9.688 1.00 0.00 C ATOM 78 CD1 ILE A 7 -26.427 1.515 8.626 1.00 0.00 C ATOM 0 H ILE A 7 -24.388 -1.353 10.288 1.00 0.00 H new ATOM 0 HA ILE A 7 -26.556 -0.726 12.042 1.00 0.00 H new ATOM 0 HB ILE A 7 -26.202 -1.070 9.048 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -27.014 1.366 10.700 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -25.334 0.965 10.407 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -28.515 -0.224 8.773 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -28.498 -1.796 9.607 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -28.752 -0.299 10.535 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -26.161 2.569 8.705 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -25.737 1.017 7.945 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -27.443 1.425 8.243 1.00 0.00 H new ATOM 90 N SER A 8 -26.274 -3.763 11.117 1.00 0.00 N ATOM 91 CA SER A 8 -26.879 -5.078 11.197 1.00 0.00 C ATOM 92 C SER A 8 -27.494 -5.275 12.570 1.00 0.00 C ATOM 93 O SER A 8 -28.419 -6.066 12.737 1.00 0.00 O ATOM 94 CB SER A 8 -25.820 -6.152 10.943 1.00 0.00 C ATOM 95 OG SER A 8 -24.846 -6.095 11.975 1.00 0.00 O ATOM 0 H SER A 8 -25.274 -3.760 10.919 1.00 0.00 H new ATOM 0 HA SER A 8 -27.659 -5.161 10.440 1.00 0.00 H new ATOM 0 HB2 SER A 8 -26.283 -7.138 10.917 1.00 0.00 H new ATOM 0 HB3 SER A 8 -25.350 -5.995 9.972 1.00 0.00 H new ATOM 0 HG SER A 8 -25.028 -6.796 12.635 1.00 0.00 H new ATOM 101 N GLN A 9 -26.986 -4.543 13.551 1.00 0.00 N ATOM 102 CA GLN A 9 -27.515 -4.651 14.901 1.00 0.00 C ATOM 103 C GLN A 9 -28.974 -4.207 14.949 1.00 0.00 C ATOM 104 O GLN A 9 -29.835 -4.925 15.452 1.00 0.00 O ATOM 105 CB GLN A 9 -26.690 -3.778 15.841 1.00 0.00 C ATOM 106 CG GLN A 9 -27.204 -3.939 17.280 1.00 0.00 C ATOM 107 CD GLN A 9 -26.277 -3.224 18.258 1.00 0.00 C ATOM 108 OE1 GLN A 9 -25.328 -2.559 17.842 1.00 0.00 O ATOM 109 NE2 GLN A 9 -26.491 -3.326 19.543 1.00 0.00 N ATOM 0 H GLN A 9 -26.220 -3.878 13.440 1.00 0.00 H new ATOM 0 HA GLN A 9 -27.458 -5.694 15.213 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -25.639 -4.060 15.786 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -26.756 -2.734 15.535 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -28.212 -3.532 17.361 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -27.266 -4.997 17.535 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -27.277 -3.877 19.887 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -25.872 -2.855 20.202 1.00 0.00 H new ATOM 118 N LEU A 10 -29.245 -3.020 14.418 1.00 0.00 N ATOM 119 CA LEU A 10 -30.611 -2.501 14.399 1.00 0.00 C ATOM 120 C LEU A 10 -31.494 -3.329 13.480 1.00 0.00 C ATOM 121 O LEU A 10 -32.593 -3.737 13.853 1.00 0.00 O ATOM 122 CB LEU A 10 -30.620 -1.039 13.949 1.00 0.00 C ATOM 123 CG LEU A 10 -32.066 -0.510 13.888 1.00 0.00 C ATOM 124 CD1 LEU A 10 -32.729 -0.609 15.273 1.00 0.00 C ATOM 125 CD2 LEU A 10 -32.041 0.951 13.428 1.00 0.00 C ATOM 0 H LEU A 10 -28.548 -2.404 13.999 1.00 0.00 H new ATOM 0 HA LEU A 10 -31.009 -2.565 15.412 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -30.033 -0.435 14.640 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -30.151 -0.950 12.969 1.00 0.00 H new ATOM 0 HG LEU A 10 -32.642 -1.111 13.184 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -33.750 -0.232 15.215 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -32.744 -1.650 15.595 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -32.163 -0.015 15.991 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -33.060 1.335 13.381 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -31.461 1.545 14.134 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -31.584 1.014 12.440 1.00 0.00 H new ATOM 137 N GLN A 11 -30.996 -3.563 12.271 1.00 0.00 N ATOM 138 CA GLN A 11 -31.740 -4.330 11.278 1.00 0.00 C ATOM 139 C GLN A 11 -32.053 -5.723 11.800 1.00 0.00 C ATOM 140 O GLN A 11 -32.959 -6.389 11.305 1.00 0.00 O ATOM 141 CB GLN A 11 -30.943 -4.430 9.973 1.00 0.00 C ATOM 142 CG GLN A 11 -30.925 -3.067 9.273 1.00 0.00 C ATOM 143 CD GLN A 11 -32.315 -2.724 8.750 1.00 0.00 C ATOM 144 OE1 GLN A 11 -32.996 -3.582 8.189 1.00 0.00 O ATOM 145 NE2 GLN A 11 -32.776 -1.513 8.895 1.00 0.00 N ATOM 0 H GLN A 11 -30.084 -3.234 11.955 1.00 0.00 H new ATOM 0 HA GLN A 11 -32.678 -3.811 11.082 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -29.924 -4.756 10.182 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -31.389 -5.179 9.319 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -30.590 -2.297 9.969 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -30.212 -3.083 8.448 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -32.209 -0.804 9.360 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -33.703 -1.275 8.543 1.00 0.00 H new ATOM 154 N GLN A 12 -31.296 -6.161 12.796 1.00 0.00 N ATOM 155 CA GLN A 12 -31.502 -7.490 13.357 1.00 0.00 C ATOM 156 C GLN A 12 -32.942 -7.639 13.845 1.00 0.00 C ATOM 157 O GLN A 12 -33.588 -8.655 13.594 1.00 0.00 O ATOM 158 CB GLN A 12 -30.549 -7.697 14.539 1.00 0.00 C ATOM 159 CG GLN A 12 -30.665 -9.129 15.061 1.00 0.00 C ATOM 160 CD GLN A 12 -29.704 -9.335 16.226 1.00 0.00 C ATOM 161 OE1 GLN A 12 -29.807 -8.657 17.249 1.00 0.00 O ATOM 162 NE2 GLN A 12 -28.763 -10.234 16.128 1.00 0.00 N ATOM 0 H GLN A 12 -30.543 -5.625 13.228 1.00 0.00 H new ATOM 0 HA GLN A 12 -31.306 -8.234 12.585 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -29.523 -7.496 14.229 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -30.785 -6.991 15.335 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -31.688 -9.327 15.382 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -30.439 -9.836 14.263 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -28.679 -10.794 15.280 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -28.111 -10.376 16.900 1.00 0.00 H new ATOM 171 N CYS A 13 -33.446 -6.622 14.536 1.00 0.00 N ATOM 172 CA CYS A 13 -34.818 -6.656 15.031 1.00 0.00 C ATOM 173 C CYS A 13 -35.807 -6.670 13.867 1.00 0.00 C ATOM 174 O CYS A 13 -36.828 -7.358 13.907 1.00 0.00 O ATOM 175 CB CYS A 13 -35.086 -5.452 15.927 1.00 0.00 C ATOM 176 SG CYS A 13 -34.156 -5.640 17.469 1.00 0.00 S ATOM 0 H CYS A 13 -32.931 -5.772 14.765 1.00 0.00 H new ATOM 0 HA CYS A 13 -34.951 -7.568 15.613 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -34.791 -4.533 15.420 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -36.152 -5.371 16.139 1.00 0.00 H new ATOM 0 HG CYS A 13 -34.378 -4.615 18.237 1.00 0.00 H new ATOM 182 N CYS A 14 -35.498 -5.891 12.835 1.00 0.00 N ATOM 183 CA CYS A 14 -36.359 -5.806 11.662 1.00 0.00 C ATOM 184 C CYS A 14 -36.517 -7.170 11.004 1.00 0.00 C ATOM 185 O CYS A 14 -37.605 -7.530 10.560 1.00 0.00 O ATOM 186 CB CYS A 14 -35.779 -4.816 10.649 1.00 0.00 C ATOM 187 SG CYS A 14 -36.892 -4.694 9.226 1.00 0.00 S ATOM 0 H CYS A 14 -34.660 -5.311 12.788 1.00 0.00 H new ATOM 0 HA CYS A 14 -37.339 -5.458 11.989 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -35.653 -3.837 11.111 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -34.792 -5.146 10.326 1.00 0.00 H new ATOM 0 HG CYS A 14 -36.696 -5.706 8.434 1.00 0.00 H new ATOM 193 N LEU A 15 -35.425 -7.920 10.932 1.00 0.00 N ATOM 194 CA LEU A 15 -35.459 -9.237 10.310 1.00 0.00 C ATOM 195 C LEU A 15 -36.615 -10.059 10.879 1.00 0.00 C ATOM 196 O LEU A 15 -37.389 -10.657 10.133 1.00 0.00 O ATOM 197 CB LEU A 15 -34.108 -9.957 10.560 1.00 0.00 C ATOM 198 CG LEU A 15 -33.180 -9.816 9.350 1.00 0.00 C ATOM 199 CD1 LEU A 15 -32.776 -8.353 9.184 1.00 0.00 C ATOM 200 CD2 LEU A 15 -31.927 -10.664 9.580 1.00 0.00 C ATOM 0 H LEU A 15 -34.512 -7.642 11.293 1.00 0.00 H new ATOM 0 HA LEU A 15 -35.613 -9.127 9.237 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -33.626 -9.538 11.443 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -34.287 -11.013 10.765 1.00 0.00 H new ATOM 0 HG LEU A 15 -33.696 -10.153 8.451 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -32.116 -8.253 8.323 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -33.667 -7.745 9.030 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -32.256 -8.015 10.081 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -31.261 -10.569 8.722 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -31.414 -10.319 10.478 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -32.212 -11.709 9.704 1.00 0.00 H new ATOM 212 N THR A 16 -36.736 -10.075 12.195 1.00 0.00 N ATOM 213 CA THR A 16 -37.809 -10.821 12.832 1.00 0.00 C ATOM 214 C THR A 16 -39.144 -10.135 12.597 1.00 0.00 C ATOM 215 O THR A 16 -40.167 -10.786 12.397 1.00 0.00 O ATOM 216 CB THR A 16 -37.545 -10.944 14.330 1.00 0.00 C ATOM 217 OG1 THR A 16 -36.317 -11.630 14.535 1.00 0.00 O ATOM 218 CG2 THR A 16 -38.686 -11.720 14.986 1.00 0.00 C ATOM 0 H THR A 16 -36.113 -9.586 12.838 1.00 0.00 H new ATOM 0 HA THR A 16 -37.845 -11.818 12.393 1.00 0.00 H new ATOM 0 HB THR A 16 -37.484 -9.951 14.775 1.00 0.00 H new ATOM 0 HG1 THR A 16 -36.143 -11.709 15.496 1.00 0.00 H new ATOM 0 HG21 THR A 16 -38.498 -11.808 16.056 1.00 0.00 H new ATOM 0 HG22 THR A 16 -39.625 -11.191 14.825 1.00 0.00 H new ATOM 0 HG23 THR A 16 -38.750 -12.715 14.546 1.00 0.00 H new ATOM 226 N LEU A 17 -39.121 -8.815 12.639 1.00 0.00 N ATOM 227 CA LEU A 17 -40.334 -8.031 12.442 1.00 0.00 C ATOM 228 C LEU A 17 -41.478 -8.570 13.307 1.00 0.00 C ATOM 229 O LEU A 17 -42.396 -9.225 12.815 1.00 0.00 O ATOM 230 CB LEU A 17 -40.735 -8.032 10.952 1.00 0.00 C ATOM 231 CG LEU A 17 -41.410 -6.700 10.575 1.00 0.00 C ATOM 232 CD1 LEU A 17 -42.611 -6.457 11.506 1.00 0.00 C ATOM 233 CD2 LEU A 17 -40.399 -5.524 10.672 1.00 0.00 C ATOM 0 H LEU A 17 -38.281 -8.262 12.807 1.00 0.00 H new ATOM 0 HA LEU A 17 -40.133 -7.005 12.749 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -39.852 -8.188 10.332 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -41.415 -8.860 10.753 1.00 0.00 H new ATOM 0 HG LEU A 17 -41.759 -6.756 9.544 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -43.091 -5.515 11.242 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -43.327 -7.272 11.397 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -42.267 -6.412 12.539 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -40.897 -4.593 10.401 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -40.023 -5.451 11.692 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -39.567 -5.702 9.990 1.00 0.00 H new ATOM 245 N ARG A 18 -41.416 -8.291 14.601 1.00 0.00 N ATOM 246 CA ARG A 18 -42.459 -8.750 15.504 1.00 0.00 C ATOM 247 C ARG A 18 -43.714 -7.891 15.344 1.00 0.00 C ATOM 248 O ARG A 18 -43.761 -6.750 15.806 1.00 0.00 O ATOM 249 CB ARG A 18 -41.961 -8.676 16.941 1.00 0.00 C ATOM 250 CG ARG A 18 -40.705 -9.536 17.078 1.00 0.00 C ATOM 251 CD ARG A 18 -40.204 -9.473 18.521 1.00 0.00 C ATOM 252 NE ARG A 18 -41.161 -10.118 19.414 1.00 0.00 N ATOM 253 CZ ARG A 18 -41.171 -11.436 19.578 1.00 0.00 C ATOM 254 NH1 ARG A 18 -42.043 -11.987 20.378 1.00 0.00 N ATOM 255 NH2 ARG A 18 -40.308 -12.179 18.942 1.00 0.00 N ATOM 0 H ARG A 18 -40.667 -7.758 15.043 1.00 0.00 H new ATOM 0 HA ARG A 18 -42.709 -9.783 15.261 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -41.741 -7.643 17.210 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -42.734 -9.026 17.626 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -40.925 -10.567 16.802 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -39.932 -9.182 16.397 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -39.234 -9.964 18.599 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -40.060 -8.434 18.819 1.00 0.00 H new ATOM 0 HE ARG A 18 -41.835 -9.546 19.922 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -42.716 -11.405 20.877 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -42.051 -12.999 20.504 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -39.625 -11.748 18.319 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -40.316 -13.191 19.068 1.00 0.00 H new ATOM 269 N THR A 19 -44.737 -8.447 14.692 1.00 0.00 N ATOM 270 CA THR A 19 -45.995 -7.725 14.480 1.00 0.00 C ATOM 271 C THR A 19 -47.194 -8.649 14.676 1.00 0.00 C ATOM 272 O THR A 19 -47.222 -9.767 14.161 1.00 0.00 O ATOM 273 CB THR A 19 -46.026 -7.140 13.070 1.00 0.00 C ATOM 274 OG1 THR A 19 -44.926 -6.257 12.903 1.00 0.00 O ATOM 275 CG2 THR A 19 -47.334 -6.378 12.858 1.00 0.00 C ATOM 0 H THR A 19 -44.721 -9.390 14.303 1.00 0.00 H new ATOM 0 HA THR A 19 -46.054 -6.920 15.213 1.00 0.00 H new ATOM 0 HB THR A 19 -45.959 -7.947 12.340 1.00 0.00 H new ATOM 0 HG1 THR A 19 -45.104 -5.651 12.153 1.00 0.00 H new ATOM 0 HG21 THR A 19 -47.353 -5.962 11.851 1.00 0.00 H new ATOM 0 HG22 THR A 19 -48.176 -7.058 12.986 1.00 0.00 H new ATOM 0 HG23 THR A 19 -47.407 -5.570 13.586 1.00 0.00 H new ATOM 283 N GLU A 20 -48.187 -8.175 15.420 1.00 0.00 N ATOM 284 CA GLU A 20 -49.381 -8.972 15.667 1.00 0.00 C ATOM 285 C GLU A 20 -50.191 -9.123 14.385 1.00 0.00 C ATOM 286 O GLU A 20 -50.377 -8.161 13.639 1.00 0.00 O ATOM 287 CB GLU A 20 -50.242 -8.303 16.742 1.00 0.00 C ATOM 288 CG GLU A 20 -49.491 -8.295 18.080 1.00 0.00 C ATOM 289 CD GLU A 20 -48.441 -7.186 18.095 1.00 0.00 C ATOM 290 OE1 GLU A 20 -48.476 -6.345 17.210 1.00 0.00 O ATOM 291 OE2 GLU A 20 -47.614 -7.195 18.991 1.00 0.00 O ATOM 0 H GLU A 20 -48.189 -7.254 15.858 1.00 0.00 H new ATOM 0 HA GLU A 20 -49.075 -9.960 16.012 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -50.484 -7.283 16.444 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -51.187 -8.836 16.848 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -50.195 -8.149 18.899 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -49.012 -9.261 18.241 1.00 0.00 H new ATOM 298 N GLY A 21 -50.673 -10.337 14.137 1.00 0.00 N ATOM 299 CA GLY A 21 -51.468 -10.613 12.944 1.00 0.00 C ATOM 300 C GLY A 21 -50.575 -10.981 11.764 1.00 0.00 C ATOM 301 O GLY A 21 -51.059 -11.405 10.714 1.00 0.00 O ATOM 0 H GLY A 21 -50.528 -11.144 14.744 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -52.163 -11.428 13.147 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -52.067 -9.738 12.692 1.00 0.00 H new ATOM 305 N LYS A 22 -49.265 -10.818 11.945 1.00 0.00 N ATOM 306 CA LYS A 22 -48.304 -11.131 10.893 1.00 0.00 C ATOM 307 C LYS A 22 -47.867 -12.584 10.984 1.00 0.00 C ATOM 308 O LYS A 22 -47.633 -13.107 12.073 1.00 0.00 O ATOM 309 CB LYS A 22 -47.092 -10.218 11.013 1.00 0.00 C ATOM 310 CG LYS A 22 -46.170 -10.439 9.807 1.00 0.00 C ATOM 311 CD LYS A 22 -44.949 -9.509 9.890 1.00 0.00 C ATOM 312 CE LYS A 22 -45.310 -8.105 9.387 1.00 0.00 C ATOM 313 NZ LYS A 22 -45.743 -8.197 7.967 1.00 0.00 N ATOM 0 H LYS A 22 -48.847 -10.472 12.809 1.00 0.00 H new ATOM 0 HA LYS A 22 -48.782 -10.972 9.926 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -47.410 -9.176 11.056 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -46.555 -10.426 11.939 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -45.842 -11.478 9.777 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -46.717 -10.250 8.883 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -44.596 -9.453 10.920 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -44.132 -9.917 9.294 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -46.107 -7.680 9.997 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -44.451 -7.440 9.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -45.600 -7.279 7.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -45.182 -8.924 7.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -46.750 -8.453 7.927 1.00 0.00 H new ATOM 327 N GLU A 23 -47.766 -13.235 9.836 1.00 0.00 N ATOM 328 CA GLU A 23 -47.368 -14.635 9.812 1.00 0.00 C ATOM 329 C GLU A 23 -45.931 -14.802 10.316 1.00 0.00 C ATOM 330 O GLU A 23 -45.100 -13.913 10.131 1.00 0.00 O ATOM 331 CB GLU A 23 -47.477 -15.174 8.379 1.00 0.00 C ATOM 332 CG GLU A 23 -46.599 -14.341 7.442 1.00 0.00 C ATOM 333 CD GLU A 23 -46.667 -14.910 6.029 1.00 0.00 C ATOM 334 OE1 GLU A 23 -47.283 -15.949 5.860 1.00 0.00 O ATOM 335 OE2 GLU A 23 -46.107 -14.295 5.138 1.00 0.00 O ATOM 0 H GLU A 23 -47.951 -12.825 8.921 1.00 0.00 H new ATOM 0 HA GLU A 23 -48.032 -15.196 10.470 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -47.167 -16.219 8.349 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -48.514 -15.140 8.046 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -46.933 -13.303 7.443 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -45.568 -14.344 7.796 1.00 0.00 H new ATOM 342 N PRO A 24 -45.619 -15.918 10.938 1.00 0.00 N ATOM 343 CA PRO A 24 -44.244 -16.189 11.458 1.00 0.00 C ATOM 344 C PRO A 24 -43.234 -16.398 10.331 1.00 0.00 C ATOM 345 O PRO A 24 -43.575 -16.894 9.258 1.00 0.00 O ATOM 346 CB PRO A 24 -44.423 -17.465 12.300 1.00 0.00 C ATOM 347 CG PRO A 24 -45.618 -18.149 11.721 1.00 0.00 C ATOM 348 CD PRO A 24 -46.541 -17.037 11.224 1.00 0.00 C ATOM 0 HA PRO A 24 -43.844 -15.353 12.032 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -43.539 -18.101 12.245 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -44.577 -17.225 13.352 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -45.331 -18.812 10.905 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -46.117 -18.764 12.470 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -47.090 -17.341 10.333 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -47.281 -16.764 11.977 1.00 0.00 H new ATOM 356 N ASP A 25 -41.988 -16.019 10.588 1.00 0.00 N ATOM 357 CA ASP A 25 -40.935 -16.173 9.595 1.00 0.00 C ATOM 358 C ASP A 25 -39.571 -16.163 10.273 1.00 0.00 C ATOM 359 O ASP A 25 -39.394 -15.542 11.320 1.00 0.00 O ATOM 360 CB ASP A 25 -41.007 -15.038 8.572 1.00 0.00 C ATOM 361 CG ASP A 25 -40.132 -15.369 7.368 1.00 0.00 C ATOM 362 OD1 ASP A 25 -39.426 -16.362 7.428 1.00 0.00 O ATOM 363 OD2 ASP A 25 -40.178 -14.623 6.404 1.00 0.00 O ATOM 0 H ASP A 25 -41.684 -15.606 11.470 1.00 0.00 H new ATOM 0 HA ASP A 25 -41.074 -17.126 9.084 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -42.039 -14.889 8.253 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -40.676 -14.105 9.027 1.00 0.00 H new ATOM 368 N ILE A 26 -38.603 -16.847 9.665 1.00 0.00 N ATOM 369 CA ILE A 26 -37.248 -16.900 10.214 1.00 0.00 C ATOM 370 C ILE A 26 -36.208 -16.684 9.112 1.00 0.00 C ATOM 371 O ILE A 26 -35.721 -17.643 8.512 1.00 0.00 O ATOM 372 CB ILE A 26 -37.019 -18.269 10.867 1.00 0.00 C ATOM 373 CG1 ILE A 26 -35.603 -18.305 11.463 1.00 0.00 C ATOM 374 CG2 ILE A 26 -37.201 -19.413 9.833 1.00 0.00 C ATOM 375 CD1 ILE A 26 -35.457 -19.543 12.346 1.00 0.00 C ATOM 0 H ILE A 26 -38.730 -17.369 8.798 1.00 0.00 H new ATOM 0 HA ILE A 26 -37.140 -16.108 10.955 1.00 0.00 H new ATOM 0 HB ILE A 26 -37.755 -18.418 11.657 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -34.861 -18.324 10.665 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -35.419 -17.404 12.048 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -37.033 -20.374 10.320 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -38.213 -19.382 9.430 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -36.484 -19.288 9.022 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -34.453 -19.571 12.770 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -36.190 -19.504 13.151 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -35.623 -20.439 11.747 1.00 0.00 H new ATOM 387 N PRO A 27 -35.839 -15.453 8.851 1.00 0.00 N ATOM 388 CA PRO A 27 -34.817 -15.126 7.820 1.00 0.00 C ATOM 389 C PRO A 27 -33.403 -15.286 8.359 1.00 0.00 C ATOM 390 O PRO A 27 -33.153 -15.068 9.542 1.00 0.00 O ATOM 391 CB PRO A 27 -35.135 -13.669 7.469 1.00 0.00 C ATOM 392 CG PRO A 27 -35.717 -13.085 8.720 1.00 0.00 C ATOM 393 CD PRO A 27 -36.362 -14.241 9.500 1.00 0.00 C ATOM 0 HA PRO A 27 -34.854 -15.788 6.955 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -34.237 -13.132 7.164 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -35.840 -13.608 6.640 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -34.943 -12.603 9.316 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -36.457 -12.321 8.481 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -36.093 -14.207 10.556 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -37.450 -14.199 9.447 1.00 0.00 H new ATOM 401 N LEU A 28 -32.479 -15.664 7.480 1.00 0.00 N ATOM 402 CA LEU A 28 -31.085 -15.841 7.881 1.00 0.00 C ATOM 403 C LEU A 28 -30.155 -15.266 6.816 1.00 0.00 C ATOM 404 O LEU A 28 -30.330 -15.516 5.624 1.00 0.00 O ATOM 405 CB LEU A 28 -30.777 -17.327 8.089 1.00 0.00 C ATOM 406 CG LEU A 28 -29.318 -17.503 8.542 1.00 0.00 C ATOM 407 CD1 LEU A 28 -29.078 -16.781 9.884 1.00 0.00 C ATOM 408 CD2 LEU A 28 -29.018 -19.000 8.694 1.00 0.00 C ATOM 0 H LEU A 28 -32.666 -15.852 6.495 1.00 0.00 H new ATOM 0 HA LEU A 28 -30.924 -15.311 8.820 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -31.451 -17.746 8.836 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -30.948 -17.875 7.163 1.00 0.00 H new ATOM 0 HG LEU A 28 -28.655 -17.067 7.794 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -28.040 -16.916 10.189 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -29.286 -15.717 9.767 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -29.737 -17.199 10.645 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -27.985 -19.133 9.015 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -29.688 -19.432 9.438 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -29.168 -19.500 7.737 1.00 0.00 H new ATOM 420 N TYR A 29 -29.159 -14.499 7.257 1.00 0.00 N ATOM 421 CA TYR A 29 -28.194 -13.899 6.336 1.00 0.00 C ATOM 422 C TYR A 29 -26.966 -14.796 6.193 1.00 0.00 C ATOM 423 O TYR A 29 -26.316 -15.138 7.181 1.00 0.00 O ATOM 424 CB TYR A 29 -27.769 -12.526 6.858 1.00 0.00 C ATOM 425 CG TYR A 29 -27.262 -12.659 8.275 1.00 0.00 C ATOM 426 CD1 TYR A 29 -25.904 -12.899 8.515 1.00 0.00 C ATOM 427 CD2 TYR A 29 -28.154 -12.539 9.347 1.00 0.00 C ATOM 428 CE1 TYR A 29 -25.439 -13.019 9.831 1.00 0.00 C ATOM 429 CE2 TYR A 29 -27.689 -12.661 10.663 1.00 0.00 C ATOM 430 CZ TYR A 29 -26.331 -12.901 10.904 1.00 0.00 C ATOM 431 OH TYR A 29 -25.871 -13.019 12.199 1.00 0.00 O ATOM 0 H TYR A 29 -28.999 -14.279 8.240 1.00 0.00 H new ATOM 0 HA TYR A 29 -28.664 -13.788 5.359 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -26.990 -12.108 6.220 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -28.612 -11.836 6.826 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -25.216 -12.991 7.687 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -29.201 -12.352 9.160 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -24.391 -13.203 10.018 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -28.377 -12.570 11.490 1.00 0.00 H new ATOM 0 HH TYR A 29 -26.619 -12.910 12.823 1.00 0.00 H new ATOM 441 N LYS A 30 -26.657 -15.177 4.955 1.00 0.00 N ATOM 442 CA LYS A 30 -25.510 -16.039 4.684 1.00 0.00 C ATOM 443 C LYS A 30 -24.939 -15.738 3.303 1.00 0.00 C ATOM 444 O LYS A 30 -25.662 -15.302 2.406 1.00 0.00 O ATOM 445 CB LYS A 30 -25.927 -17.509 4.765 1.00 0.00 C ATOM 446 CG LYS A 30 -24.694 -18.399 4.601 1.00 0.00 C ATOM 447 CD LYS A 30 -25.101 -19.866 4.739 1.00 0.00 C ATOM 448 CE LYS A 30 -23.882 -20.757 4.499 1.00 0.00 C ATOM 449 NZ LYS A 30 -22.853 -20.485 5.544 1.00 0.00 N ATOM 0 H LYS A 30 -27.184 -14.903 4.126 1.00 0.00 H new ATOM 0 HA LYS A 30 -24.743 -15.845 5.433 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -26.408 -17.709 5.722 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -26.657 -17.734 3.988 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -24.236 -18.228 3.627 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -23.947 -18.146 5.353 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -25.509 -20.049 5.733 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -25.887 -20.106 4.023 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -24.175 -21.807 4.526 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -23.469 -20.567 3.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -22.175 -21.273 5.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -22.350 -19.604 5.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -23.316 -20.388 6.470 1.00 0.00 H new ATOM 463 N THR A 31 -23.639 -15.968 3.134 1.00 0.00 N ATOM 464 CA THR A 31 -22.998 -15.710 1.851 1.00 0.00 C ATOM 465 C THR A 31 -23.772 -16.401 0.742 1.00 0.00 C ATOM 466 O THR A 31 -24.076 -17.590 0.834 1.00 0.00 O ATOM 467 CB THR A 31 -21.565 -16.245 1.870 1.00 0.00 C ATOM 468 OG1 THR A 31 -21.591 -17.655 2.056 1.00 0.00 O ATOM 469 CG2 THR A 31 -20.787 -15.595 3.012 1.00 0.00 C ATOM 0 H THR A 31 -23.018 -16.327 3.859 1.00 0.00 H new ATOM 0 HA THR A 31 -22.984 -14.635 1.673 1.00 0.00 H new ATOM 0 HB THR A 31 -21.078 -16.009 0.924 1.00 0.00 H new ATOM 0 HG1 THR A 31 -22.467 -18.004 1.788 1.00 0.00 H new ATOM 0 HG21 THR A 31 -19.767 -15.979 3.022 1.00 0.00 H new ATOM 0 HG22 THR A 31 -20.767 -14.515 2.870 1.00 0.00 H new ATOM 0 HG23 THR A 31 -21.271 -15.827 3.961 1.00 0.00 H new ATOM 477 N LEU A 32 -24.093 -15.651 -0.306 1.00 0.00 N ATOM 478 CA LEU A 32 -24.841 -16.210 -1.428 1.00 0.00 C ATOM 479 C LEU A 32 -23.892 -16.827 -2.443 1.00 0.00 C ATOM 480 O LEU A 32 -24.041 -17.986 -2.829 1.00 0.00 O ATOM 481 CB LEU A 32 -25.668 -15.109 -2.105 1.00 0.00 C ATOM 482 CG LEU A 32 -26.786 -15.739 -2.960 1.00 0.00 C ATOM 483 CD1 LEU A 32 -27.968 -16.183 -2.078 1.00 0.00 C ATOM 484 CD2 LEU A 32 -27.281 -14.721 -3.994 1.00 0.00 C ATOM 0 H LEU A 32 -23.851 -14.665 -0.403 1.00 0.00 H new ATOM 0 HA LEU A 32 -25.507 -16.985 -1.049 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -26.102 -14.453 -1.350 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -25.024 -14.492 -2.731 1.00 0.00 H new ATOM 0 HG LEU A 32 -26.378 -16.614 -3.465 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -28.744 -16.624 -2.704 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -27.624 -16.920 -1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -28.374 -15.319 -1.552 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -28.071 -15.169 -4.597 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -27.670 -13.842 -3.481 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -26.454 -14.427 -4.640 1.00 0.00 H new ATOM 496 N GLN A 33 -22.915 -16.041 -2.870 1.00 0.00 N ATOM 497 CA GLN A 33 -21.938 -16.510 -3.841 1.00 0.00 C ATOM 498 C GLN A 33 -20.710 -15.612 -3.839 1.00 0.00 C ATOM 499 O GLN A 33 -20.784 -14.442 -3.463 1.00 0.00 O ATOM 500 CB GLN A 33 -22.551 -16.546 -5.242 1.00 0.00 C ATOM 501 CG GLN A 33 -21.489 -16.986 -6.256 1.00 0.00 C ATOM 502 CD GLN A 33 -22.138 -17.258 -7.607 1.00 0.00 C ATOM 503 OE1 GLN A 33 -22.944 -18.180 -7.734 1.00 0.00 O ATOM 504 NE2 GLN A 33 -21.837 -16.504 -8.628 1.00 0.00 N ATOM 0 H GLN A 33 -22.778 -15.079 -2.561 1.00 0.00 H new ATOM 0 HA GLN A 33 -21.637 -17.519 -3.560 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -23.396 -17.235 -5.263 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -22.936 -15.561 -5.507 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -20.729 -16.211 -6.358 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -20.984 -17.883 -5.899 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -21.169 -15.741 -8.519 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -22.270 -16.677 -9.535 1.00 0.00 H new ATOM 513 N THR A 34 -19.578 -16.164 -4.266 1.00 0.00 N ATOM 514 CA THR A 34 -18.333 -15.401 -4.320 1.00 0.00 C ATOM 515 C THR A 34 -17.958 -15.130 -5.770 1.00 0.00 C ATOM 516 O THR A 34 -18.230 -15.941 -6.654 1.00 0.00 O ATOM 517 CB THR A 34 -17.210 -16.185 -3.636 1.00 0.00 C ATOM 518 OG1 THR A 34 -17.044 -17.437 -4.285 1.00 0.00 O ATOM 519 CG2 THR A 34 -17.567 -16.411 -2.166 1.00 0.00 C ATOM 0 H THR A 34 -19.496 -17.132 -4.578 1.00 0.00 H new ATOM 0 HA THR A 34 -18.475 -14.453 -3.801 1.00 0.00 H new ATOM 0 HB THR A 34 -16.280 -15.619 -3.699 1.00 0.00 H new ATOM 0 HG1 THR A 34 -16.324 -17.939 -3.849 1.00 0.00 H new ATOM 0 HG21 THR A 34 -16.767 -16.969 -1.679 1.00 0.00 H new ATOM 0 HG22 THR A 34 -17.692 -15.449 -1.670 1.00 0.00 H new ATOM 0 HG23 THR A 34 -18.496 -16.977 -2.100 1.00 0.00 H new ATOM 527 N VAL A 35 -17.337 -13.975 -6.009 1.00 0.00 N ATOM 528 CA VAL A 35 -16.930 -13.586 -7.360 1.00 0.00 C ATOM 529 C VAL A 35 -15.545 -12.948 -7.338 1.00 0.00 C ATOM 530 O VAL A 35 -15.037 -12.576 -6.278 1.00 0.00 O ATOM 531 CB VAL A 35 -17.944 -12.609 -7.949 1.00 0.00 C ATOM 532 CG1 VAL A 35 -19.320 -13.276 -8.012 1.00 0.00 C ATOM 533 CG2 VAL A 35 -18.024 -11.367 -7.064 1.00 0.00 C ATOM 0 H VAL A 35 -17.105 -13.293 -5.287 1.00 0.00 H new ATOM 0 HA VAL A 35 -16.891 -14.480 -7.982 1.00 0.00 H new ATOM 0 HB VAL A 35 -17.632 -12.324 -8.954 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -20.044 -12.578 -8.433 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -19.265 -14.165 -8.641 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -19.632 -13.561 -7.007 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -18.748 -10.668 -7.483 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -18.337 -11.655 -6.060 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -17.045 -10.891 -7.016 1.00 0.00 H new ATOM 543 N GLY A 36 -14.934 -12.833 -8.512 1.00 0.00 N ATOM 544 CA GLY A 36 -13.602 -12.253 -8.618 1.00 0.00 C ATOM 545 C GLY A 36 -12.532 -13.187 -8.045 1.00 0.00 C ATOM 546 O GLY A 36 -11.590 -12.731 -7.394 1.00 0.00 O ATOM 0 H GLY A 36 -15.338 -13.132 -9.399 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.379 -12.042 -9.664 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.576 -11.301 -8.088 1.00 0.00 H new ATOM 550 N PRO A 37 -12.653 -14.476 -8.276 1.00 0.00 N ATOM 551 CA PRO A 37 -11.666 -15.485 -7.771 1.00 0.00 C ATOM 552 C PRO A 37 -10.295 -15.323 -8.432 1.00 0.00 C ATOM 553 O PRO A 37 -9.284 -15.794 -7.909 1.00 0.00 O ATOM 554 CB PRO A 37 -12.306 -16.836 -8.141 1.00 0.00 C ATOM 555 CG PRO A 37 -13.218 -16.533 -9.286 1.00 0.00 C ATOM 556 CD PRO A 37 -13.737 -15.118 -9.042 1.00 0.00 C ATOM 0 HA PRO A 37 -11.477 -15.381 -6.703 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.548 -17.567 -8.423 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.856 -17.256 -7.299 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.687 -16.596 -10.236 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -14.039 -17.248 -9.332 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -13.930 -14.595 -9.979 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -14.673 -15.125 -8.483 1.00 0.00 H new ATOM 564 N SER A 38 -10.269 -14.663 -9.584 1.00 0.00 N ATOM 565 CA SER A 38 -9.019 -14.464 -10.308 1.00 0.00 C ATOM 566 C SER A 38 -8.014 -13.695 -9.457 1.00 0.00 C ATOM 567 O SER A 38 -6.838 -14.054 -9.392 1.00 0.00 O ATOM 568 CB SER A 38 -9.279 -13.700 -11.605 1.00 0.00 C ATOM 569 OG SER A 38 -8.049 -13.504 -12.287 1.00 0.00 O ATOM 0 H SER A 38 -11.091 -14.260 -10.034 1.00 0.00 H new ATOM 0 HA SER A 38 -8.603 -15.444 -10.540 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.973 -14.256 -12.235 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.745 -12.739 -11.388 1.00 0.00 H new ATOM 0 HG SER A 38 -8.211 -13.015 -13.121 1.00 0.00 H new ATOM 575 N HIS A 39 -8.485 -12.634 -8.801 1.00 0.00 N ATOM 576 CA HIS A 39 -7.624 -11.811 -7.947 1.00 0.00 C ATOM 577 C HIS A 39 -8.130 -11.830 -6.509 1.00 0.00 C ATOM 578 O HIS A 39 -8.014 -12.839 -5.815 1.00 0.00 O ATOM 579 CB HIS A 39 -7.601 -10.372 -8.466 1.00 0.00 C ATOM 580 CG HIS A 39 -6.843 -10.321 -9.765 1.00 0.00 C ATOM 581 ND1 HIS A 39 -5.464 -10.444 -9.817 1.00 0.00 N ATOM 582 CD2 HIS A 39 -7.255 -10.159 -11.064 1.00 0.00 C ATOM 583 CE1 HIS A 39 -5.097 -10.353 -11.108 1.00 0.00 C ATOM 584 NE2 HIS A 39 -6.150 -10.179 -11.910 1.00 0.00 N ATOM 0 H HIS A 39 -9.456 -12.324 -8.844 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.614 -12.220 -7.971 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -8.619 -10.010 -8.612 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.132 -9.717 -7.732 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.280 -10.035 -11.381 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -4.076 -10.413 -11.453 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.146 -10.082 -12.925 1.00 0.00 H new ATOM 592 N ALA A 40 -8.691 -10.710 -6.065 1.00 0.00 N ATOM 593 CA ALA A 40 -9.207 -10.619 -4.708 1.00 0.00 C ATOM 594 C ALA A 40 -10.568 -11.294 -4.618 1.00 0.00 C ATOM 595 O ALA A 40 -11.450 -11.044 -5.440 1.00 0.00 O ATOM 596 CB ALA A 40 -9.330 -9.151 -4.299 1.00 0.00 C ATOM 0 H ALA A 40 -8.798 -9.861 -6.620 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.517 -11.125 -4.033 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.717 -9.088 -3.282 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.349 -8.677 -4.344 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -10.012 -8.640 -4.979 1.00 0.00 H new ATOM 602 N ARG A 41 -10.734 -12.152 -3.619 1.00 0.00 N ATOM 603 CA ARG A 41 -11.996 -12.855 -3.440 1.00 0.00 C ATOM 604 C ARG A 41 -13.025 -11.934 -2.801 1.00 0.00 C ATOM 605 O ARG A 41 -12.725 -11.219 -1.846 1.00 0.00 O ATOM 606 CB ARG A 41 -11.788 -14.082 -2.547 1.00 0.00 C ATOM 607 CG ARG A 41 -10.901 -15.098 -3.268 1.00 0.00 C ATOM 608 CD ARG A 41 -10.924 -16.425 -2.510 1.00 0.00 C ATOM 609 NE ARG A 41 -10.400 -16.245 -1.158 1.00 0.00 N ATOM 610 CZ ARG A 41 -9.097 -16.314 -0.903 1.00 0.00 C ATOM 611 NH1 ARG A 41 -8.662 -16.146 0.315 1.00 0.00 N ATOM 612 NH2 ARG A 41 -8.254 -16.549 -1.872 1.00 0.00 N ATOM 0 H ARG A 41 -10.018 -12.376 -2.928 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.359 -13.174 -4.417 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.326 -13.785 -1.605 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.750 -14.533 -2.302 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.254 -15.244 -4.289 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.880 -14.723 -3.334 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -11.943 -16.808 -2.464 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -10.328 -17.166 -3.043 1.00 0.00 H new ATOM 0 HE ARG A 41 -11.049 -16.062 -0.392 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.321 -15.962 1.071 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.662 -16.199 0.511 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.595 -16.680 -2.824 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.254 -16.602 -1.677 1.00 0.00 H new ATOM 626 N THR A 42 -14.249 -11.961 -3.329 1.00 0.00 N ATOM 627 CA THR A 42 -15.329 -11.129 -2.802 1.00 0.00 C ATOM 628 C THR A 42 -16.519 -11.999 -2.424 1.00 0.00 C ATOM 629 O THR A 42 -16.775 -13.026 -3.051 1.00 0.00 O ATOM 630 CB THR A 42 -15.758 -10.104 -3.856 1.00 0.00 C ATOM 631 OG1 THR A 42 -16.203 -10.787 -5.018 1.00 0.00 O ATOM 632 CG2 THR A 42 -14.573 -9.208 -4.210 1.00 0.00 C ATOM 0 H THR A 42 -14.516 -12.548 -4.119 1.00 0.00 H new ATOM 0 HA THR A 42 -14.971 -10.606 -1.915 1.00 0.00 H new ATOM 0 HB THR A 42 -16.567 -9.490 -3.461 1.00 0.00 H new ATOM 0 HG1 THR A 42 -15.432 -11.167 -5.489 1.00 0.00 H new ATOM 0 HG21 THR A 42 -14.879 -8.479 -4.960 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.231 -8.687 -3.316 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.762 -9.818 -4.607 1.00 0.00 H new ATOM 640 N TYR A 43 -17.244 -11.576 -1.393 1.00 0.00 N ATOM 641 CA TYR A 43 -18.416 -12.313 -0.918 1.00 0.00 C ATOM 642 C TYR A 43 -19.687 -11.512 -1.158 1.00 0.00 C ATOM 643 O TYR A 43 -19.763 -10.326 -0.829 1.00 0.00 O ATOM 644 CB TYR A 43 -18.273 -12.601 0.580 1.00 0.00 C ATOM 645 CG TYR A 43 -17.131 -13.565 0.801 1.00 0.00 C ATOM 646 CD1 TYR A 43 -15.838 -13.082 1.036 1.00 0.00 C ATOM 647 CD2 TYR A 43 -17.369 -14.943 0.772 1.00 0.00 C ATOM 648 CE1 TYR A 43 -14.783 -13.981 1.242 1.00 0.00 C ATOM 649 CE2 TYR A 43 -16.315 -15.841 0.978 1.00 0.00 C ATOM 650 CZ TYR A 43 -15.022 -15.360 1.212 1.00 0.00 C ATOM 651 OH TYR A 43 -13.982 -16.245 1.415 1.00 0.00 O ATOM 0 H TYR A 43 -17.042 -10.725 -0.868 1.00 0.00 H new ATOM 0 HA TYR A 43 -18.481 -13.251 -1.470 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -18.091 -11.674 1.124 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -19.199 -13.022 0.970 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -15.654 -12.018 1.058 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -18.367 -15.315 0.591 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -13.785 -13.610 1.424 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -16.500 -16.905 0.956 1.00 0.00 H new ATOM 0 HH TYR A 43 -14.319 -17.164 1.363 1.00 0.00 H new ATOM 661 N THR A 44 -20.692 -12.172 -1.729 1.00 0.00 N ATOM 662 CA THR A 44 -21.972 -11.529 -2.009 1.00 0.00 C ATOM 663 C THR A 44 -23.053 -12.153 -1.146 1.00 0.00 C ATOM 664 O THR A 44 -23.235 -13.370 -1.142 1.00 0.00 O ATOM 665 CB THR A 44 -22.331 -11.701 -3.486 1.00 0.00 C ATOM 666 OG1 THR A 44 -21.317 -11.112 -4.288 1.00 0.00 O ATOM 667 CG2 THR A 44 -23.669 -11.013 -3.765 1.00 0.00 C ATOM 0 H THR A 44 -20.644 -13.152 -2.007 1.00 0.00 H new ATOM 0 HA THR A 44 -21.895 -10.466 -1.783 1.00 0.00 H new ATOM 0 HB THR A 44 -22.411 -12.762 -3.724 1.00 0.00 H new ATOM 0 HG1 THR A 44 -21.616 -11.079 -5.221 1.00 0.00 H new ATOM 0 HG21 THR A 44 -23.928 -11.134 -4.817 1.00 0.00 H new ATOM 0 HG22 THR A 44 -24.445 -11.463 -3.146 1.00 0.00 H new ATOM 0 HG23 THR A 44 -23.588 -9.952 -3.531 1.00 0.00 H new ATOM 675 N VAL A 45 -23.772 -11.309 -0.410 1.00 0.00 N ATOM 676 CA VAL A 45 -24.840 -11.769 0.474 1.00 0.00 C ATOM 677 C VAL A 45 -26.118 -10.985 0.214 1.00 0.00 C ATOM 678 O VAL A 45 -26.079 -9.811 -0.158 1.00 0.00 O ATOM 679 CB VAL A 45 -24.426 -11.585 1.936 1.00 0.00 C ATOM 680 CG1 VAL A 45 -24.082 -10.114 2.191 1.00 0.00 C ATOM 681 CG2 VAL A 45 -25.582 -12.005 2.853 1.00 0.00 C ATOM 0 H VAL A 45 -23.633 -10.298 -0.409 1.00 0.00 H new ATOM 0 HA VAL A 45 -25.020 -12.825 0.275 1.00 0.00 H new ATOM 0 HB VAL A 45 -23.553 -12.203 2.145 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -23.787 -9.984 3.232 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -23.260 -9.815 1.541 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -24.954 -9.495 1.981 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -25.287 -11.874 3.894 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -26.456 -11.388 2.643 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -25.826 -13.052 2.674 1.00 0.00 H new ATOM 691 N ALA A 46 -27.257 -11.650 0.403 1.00 0.00 N ATOM 692 CA ALA A 46 -28.556 -11.018 0.186 1.00 0.00 C ATOM 693 C ALA A 46 -29.552 -11.490 1.233 1.00 0.00 C ATOM 694 O ALA A 46 -29.801 -12.687 1.377 1.00 0.00 O ATOM 695 CB ALA A 46 -29.073 -11.364 -1.212 1.00 0.00 C ATOM 0 H ALA A 46 -27.306 -12.623 0.705 1.00 0.00 H new ATOM 0 HA ALA A 46 -28.440 -9.938 0.271 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -30.042 -10.890 -1.369 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -28.367 -11.004 -1.960 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -29.178 -12.445 -1.304 1.00 0.00 H new ATOM 701 N VAL A 47 -30.123 -10.537 1.965 1.00 0.00 N ATOM 702 CA VAL A 47 -31.094 -10.861 2.999 1.00 0.00 C ATOM 703 C VAL A 47 -32.482 -10.933 2.377 1.00 0.00 C ATOM 704 O VAL A 47 -32.905 -10.006 1.678 1.00 0.00 O ATOM 705 CB VAL A 47 -31.072 -9.794 4.099 1.00 0.00 C ATOM 706 CG1 VAL A 47 -32.034 -10.185 5.229 1.00 0.00 C ATOM 707 CG2 VAL A 47 -29.652 -9.671 4.656 1.00 0.00 C ATOM 0 H VAL A 47 -29.930 -9.541 1.860 1.00 0.00 H new ATOM 0 HA VAL A 47 -30.840 -11.824 3.442 1.00 0.00 H new ATOM 0 HB VAL A 47 -31.387 -8.839 3.679 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -32.012 -9.421 6.006 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -33.046 -10.270 4.832 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -31.729 -11.142 5.652 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -29.633 -8.913 5.439 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -29.340 -10.629 5.071 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -28.971 -9.383 3.855 1.00 0.00 H new ATOM 717 N TYR A 48 -33.183 -12.039 2.640 1.00 0.00 N ATOM 718 CA TYR A 48 -34.529 -12.253 2.111 1.00 0.00 C ATOM 719 C TYR A 48 -35.552 -12.244 3.238 1.00 0.00 C ATOM 720 O TYR A 48 -35.300 -12.760 4.328 1.00 0.00 O ATOM 721 CB TYR A 48 -34.590 -13.600 1.383 1.00 0.00 C ATOM 722 CG TYR A 48 -34.135 -14.700 2.314 1.00 0.00 C ATOM 723 CD1 TYR A 48 -35.056 -15.333 3.160 1.00 0.00 C ATOM 724 CD2 TYR A 48 -32.790 -15.093 2.328 1.00 0.00 C ATOM 725 CE1 TYR A 48 -34.632 -16.355 4.018 1.00 0.00 C ATOM 726 CE2 TYR A 48 -32.368 -16.116 3.186 1.00 0.00 C ATOM 727 CZ TYR A 48 -33.288 -16.747 4.031 1.00 0.00 C ATOM 728 OH TYR A 48 -32.871 -17.755 4.876 1.00 0.00 O ATOM 0 H TYR A 48 -32.836 -12.803 3.220 1.00 0.00 H new ATOM 0 HA TYR A 48 -34.761 -11.447 1.415 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -35.607 -13.795 1.043 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -33.956 -13.575 0.496 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -36.093 -15.032 3.150 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -32.079 -14.607 1.677 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -35.342 -16.841 4.670 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -31.331 -16.418 3.196 1.00 0.00 H new ATOM 0 HH TYR A 48 -31.909 -17.904 4.758 1.00 0.00 H new ATOM 738 N PHE A 49 -36.710 -11.649 2.965 1.00 0.00 N ATOM 739 CA PHE A 49 -37.781 -11.565 3.954 1.00 0.00 C ATOM 740 C PHE A 49 -39.141 -11.678 3.280 1.00 0.00 C ATOM 741 O PHE A 49 -39.419 -10.988 2.301 1.00 0.00 O ATOM 742 CB PHE A 49 -37.683 -10.240 4.710 1.00 0.00 C ATOM 743 CG PHE A 49 -38.830 -10.142 5.694 1.00 0.00 C ATOM 744 CD1 PHE A 49 -38.880 -11.008 6.791 1.00 0.00 C ATOM 745 CD2 PHE A 49 -39.838 -9.184 5.513 1.00 0.00 C ATOM 746 CE1 PHE A 49 -39.936 -10.920 7.708 1.00 0.00 C ATOM 747 CE2 PHE A 49 -40.894 -9.097 6.431 1.00 0.00 C ATOM 748 CZ PHE A 49 -40.943 -9.965 7.527 1.00 0.00 C ATOM 0 H PHE A 49 -36.931 -11.218 2.067 1.00 0.00 H new ATOM 0 HA PHE A 49 -37.673 -12.391 4.657 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -36.730 -10.177 5.236 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -37.716 -9.405 4.010 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -38.104 -11.746 6.932 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -39.801 -8.514 4.667 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -39.973 -11.589 8.555 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -41.670 -8.359 6.292 1.00 0.00 H new ATOM 0 HZ PHE A 49 -41.757 -9.898 8.233 1.00 0.00 H new ATOM 758 N LYS A 50 -39.982 -12.556 3.811 1.00 0.00 N ATOM 759 CA LYS A 50 -41.315 -12.756 3.252 1.00 0.00 C ATOM 760 C LYS A 50 -41.225 -13.194 1.792 1.00 0.00 C ATOM 761 O LYS A 50 -42.202 -13.110 1.051 1.00 0.00 O ATOM 762 CB LYS A 50 -42.139 -11.447 3.376 1.00 0.00 C ATOM 763 CG LYS A 50 -43.284 -11.628 4.373 1.00 0.00 C ATOM 764 CD LYS A 50 -44.151 -10.371 4.383 1.00 0.00 C ATOM 765 CE LYS A 50 -45.242 -10.524 5.438 1.00 0.00 C ATOM 766 NZ LYS A 50 -46.116 -11.681 5.085 1.00 0.00 N ATOM 0 H LYS A 50 -39.769 -13.137 4.621 1.00 0.00 H new ATOM 0 HA LYS A 50 -41.817 -13.545 3.813 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -41.492 -10.632 3.700 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -42.538 -11.168 2.401 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -43.885 -12.495 4.100 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -42.886 -11.817 5.370 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -43.540 -9.495 4.599 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -44.597 -10.214 3.401 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -44.794 -10.679 6.420 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -45.835 -9.611 5.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -47.045 -11.566 5.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -46.238 -11.722 4.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -45.676 -12.563 5.417 1.00 0.00 H new ATOM 780 N GLY A 51 -40.053 -13.667 1.385 1.00 0.00 N ATOM 781 CA GLY A 51 -39.865 -14.115 0.011 1.00 0.00 C ATOM 782 C GLY A 51 -39.408 -12.964 -0.881 1.00 0.00 C ATOM 783 O GLY A 51 -39.427 -13.075 -2.107 1.00 0.00 O ATOM 0 H GLY A 51 -39.228 -13.750 1.979 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -39.127 -14.916 -0.016 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -40.798 -14.528 -0.372 1.00 0.00 H new ATOM 787 N GLU A 52 -38.999 -11.853 -0.263 1.00 0.00 N ATOM 788 CA GLU A 52 -38.538 -10.684 -1.015 1.00 0.00 C ATOM 789 C GLU A 52 -37.237 -10.150 -0.420 1.00 0.00 C ATOM 790 O GLU A 52 -37.043 -10.173 0.798 1.00 0.00 O ATOM 791 CB GLU A 52 -39.605 -9.589 -0.971 1.00 0.00 C ATOM 792 CG GLU A 52 -40.915 -10.133 -1.546 1.00 0.00 C ATOM 793 CD GLU A 52 -40.752 -10.431 -3.033 1.00 0.00 C ATOM 794 OE1 GLU A 52 -39.826 -9.902 -3.624 1.00 0.00 O ATOM 795 OE2 GLU A 52 -41.556 -11.182 -3.559 1.00 0.00 O ATOM 0 H GLU A 52 -38.978 -11.739 0.750 1.00 0.00 H new ATOM 0 HA GLU A 52 -38.360 -10.981 -2.049 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -39.757 -9.254 0.055 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -39.276 -8.722 -1.544 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -41.205 -11.040 -1.015 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -41.715 -9.407 -1.398 1.00 0.00 H new ATOM 802 N ARG A 53 -36.351 -9.666 -1.285 1.00 0.00 N ATOM 803 CA ARG A 53 -35.078 -9.124 -0.848 1.00 0.00 C ATOM 804 C ARG A 53 -35.296 -7.874 -0.021 1.00 0.00 C ATOM 805 O ARG A 53 -35.966 -6.938 -0.457 1.00 0.00 O ATOM 806 CB ARG A 53 -34.203 -8.814 -2.070 1.00 0.00 C ATOM 807 CG ARG A 53 -34.951 -7.875 -3.018 1.00 0.00 C ATOM 808 CD ARG A 53 -34.186 -7.768 -4.336 1.00 0.00 C ATOM 809 NE ARG A 53 -34.953 -6.974 -5.292 1.00 0.00 N ATOM 810 CZ ARG A 53 -34.873 -5.647 -5.315 1.00 0.00 C ATOM 811 NH1 ARG A 53 -35.575 -4.968 -6.180 1.00 0.00 N ATOM 812 NH2 ARG A 53 -34.096 -5.025 -4.473 1.00 0.00 N ATOM 0 H ARG A 53 -36.496 -9.640 -2.294 1.00 0.00 H new ATOM 0 HA ARG A 53 -34.569 -9.861 -0.226 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -33.267 -8.354 -1.752 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -33.945 -9.738 -2.587 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -35.958 -8.250 -3.199 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -35.055 -6.889 -2.564 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -33.213 -7.308 -4.165 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -34.001 -8.763 -4.741 1.00 0.00 H new ATOM 0 HE ARG A 53 -35.564 -7.448 -5.957 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -36.184 -5.455 -6.837 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -35.515 -3.950 -6.199 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -33.549 -5.556 -3.796 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -34.035 -4.007 -4.491 1.00 0.00 H new ATOM 826 N ILE A 54 -34.731 -7.859 1.181 1.00 0.00 N ATOM 827 CA ILE A 54 -34.871 -6.708 2.064 1.00 0.00 C ATOM 828 C ILE A 54 -33.573 -5.902 2.090 1.00 0.00 C ATOM 829 O ILE A 54 -33.587 -4.695 2.325 1.00 0.00 O ATOM 830 CB ILE A 54 -35.223 -7.165 3.481 1.00 0.00 C ATOM 831 CG1 ILE A 54 -35.572 -5.947 4.338 1.00 0.00 C ATOM 832 CG2 ILE A 54 -34.035 -7.897 4.100 1.00 0.00 C ATOM 833 CD1 ILE A 54 -36.114 -6.416 5.689 1.00 0.00 C ATOM 0 H ILE A 54 -34.176 -8.624 1.564 1.00 0.00 H new ATOM 0 HA ILE A 54 -35.675 -6.077 1.685 1.00 0.00 H new ATOM 0 HB ILE A 54 -36.078 -7.840 3.438 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -34.688 -5.326 4.484 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -36.314 -5.331 3.830 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -34.292 -8.220 5.109 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -33.787 -8.767 3.493 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -33.176 -7.227 4.141 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -36.363 -5.550 6.302 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -37.008 -7.019 5.533 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -35.357 -7.014 6.197 1.00 0.00 H new ATOM 845 N GLY A 55 -32.453 -6.584 1.849 1.00 0.00 N ATOM 846 CA GLY A 55 -31.148 -5.920 1.855 1.00 0.00 C ATOM 847 C GLY A 55 -30.092 -6.791 1.191 1.00 0.00 C ATOM 848 O GLY A 55 -30.149 -8.017 1.251 1.00 0.00 O ATOM 0 H GLY A 55 -32.421 -7.584 1.649 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -31.219 -4.966 1.333 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -30.852 -5.701 2.881 1.00 0.00 H new ATOM 852 N CYS A 56 -29.119 -6.146 0.551 1.00 0.00 N ATOM 853 CA CYS A 56 -28.050 -6.871 -0.127 1.00 0.00 C ATOM 854 C CYS A 56 -26.795 -6.017 -0.214 1.00 0.00 C ATOM 855 O CYS A 56 -26.866 -4.810 -0.450 1.00 0.00 O ATOM 856 CB CYS A 56 -28.499 -7.279 -1.530 1.00 0.00 C ATOM 857 SG CYS A 56 -27.187 -8.237 -2.329 1.00 0.00 S ATOM 0 H CYS A 56 -29.050 -5.130 0.488 1.00 0.00 H new ATOM 0 HA CYS A 56 -27.822 -7.767 0.451 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -29.413 -7.870 -1.473 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -28.729 -6.393 -2.122 1.00 0.00 H new ATOM 0 HG CYS A 56 -26.805 -9.194 -1.537 1.00 0.00 H new ATOM 863 N GLY A 57 -25.640 -6.646 -0.014 1.00 0.00 N ATOM 864 CA GLY A 57 -24.370 -5.931 -0.065 1.00 0.00 C ATOM 865 C GLY A 57 -23.239 -6.864 -0.476 1.00 0.00 C ATOM 866 O GLY A 57 -23.424 -8.076 -0.585 1.00 0.00 O ATOM 0 H GLY A 57 -25.558 -7.643 0.184 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -24.441 -5.105 -0.773 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -24.153 -5.497 0.911 1.00 0.00 H new ATOM 870 N LYS A 58 -22.062 -6.289 -0.718 1.00 0.00 N ATOM 871 CA LYS A 58 -20.902 -7.075 -1.133 1.00 0.00 C ATOM 872 C LYS A 58 -19.624 -6.492 -0.543 1.00 0.00 C ATOM 873 O LYS A 58 -19.544 -5.295 -0.265 1.00 0.00 O ATOM 874 CB LYS A 58 -20.804 -7.079 -2.660 1.00 0.00 C ATOM 875 CG LYS A 58 -19.903 -8.232 -3.120 1.00 0.00 C ATOM 876 CD LYS A 58 -19.525 -8.050 -4.589 1.00 0.00 C ATOM 877 CE LYS A 58 -20.779 -8.108 -5.464 1.00 0.00 C ATOM 878 NZ LYS A 58 -20.378 -8.206 -6.894 1.00 0.00 N ATOM 0 H LYS A 58 -21.887 -5.288 -0.634 1.00 0.00 H new ATOM 0 HA LYS A 58 -21.023 -8.096 -0.770 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -21.797 -7.185 -3.097 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -20.401 -6.129 -3.010 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -19.003 -8.267 -2.507 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -20.418 -9.183 -2.984 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -19.019 -7.094 -4.727 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -18.824 -8.828 -4.892 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -21.390 -8.967 -5.186 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -21.388 -7.218 -5.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -21.084 -7.725 -7.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -19.450 -7.755 -7.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -20.319 -9.207 -7.170 1.00 0.00 H new ATOM 892 N GLY A 59 -18.624 -7.346 -0.359 1.00 0.00 N ATOM 893 CA GLY A 59 -17.354 -6.907 0.194 1.00 0.00 C ATOM 894 C GLY A 59 -16.352 -8.057 0.234 1.00 0.00 C ATOM 895 O GLY A 59 -16.686 -9.201 -0.080 1.00 0.00 O ATOM 0 H GLY A 59 -18.670 -8.340 -0.584 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -16.953 -6.091 -0.407 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -17.506 -6.517 1.200 1.00 0.00 H new ATOM 899 N PRO A 60 -15.132 -7.769 0.602 1.00 0.00 N ATOM 900 CA PRO A 60 -14.043 -8.789 0.680 1.00 0.00 C ATOM 901 C PRO A 60 -14.236 -9.748 1.850 1.00 0.00 C ATOM 902 O PRO A 60 -13.508 -10.732 1.985 1.00 0.00 O ATOM 903 CB PRO A 60 -12.770 -7.946 0.839 1.00 0.00 C ATOM 904 CG PRO A 60 -13.230 -6.687 1.502 1.00 0.00 C ATOM 905 CD PRO A 60 -14.654 -6.430 0.995 1.00 0.00 C ATOM 0 HA PRO A 60 -14.015 -9.435 -0.197 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.025 -8.463 1.444 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.308 -7.739 -0.127 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -13.216 -6.791 2.587 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -12.572 -5.854 1.254 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -15.282 -5.992 1.771 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -14.660 -5.739 0.152 1.00 0.00 H new ATOM 913 N SER A 61 -15.220 -9.455 2.695 1.00 0.00 N ATOM 914 CA SER A 61 -15.494 -10.298 3.852 1.00 0.00 C ATOM 915 C SER A 61 -16.970 -10.249 4.213 1.00 0.00 C ATOM 916 O SER A 61 -17.676 -9.298 3.880 1.00 0.00 O ATOM 917 CB SER A 61 -14.667 -9.813 5.042 1.00 0.00 C ATOM 918 OG SER A 61 -15.097 -8.508 5.411 1.00 0.00 O ATOM 0 H SER A 61 -15.836 -8.647 2.601 1.00 0.00 H new ATOM 0 HA SER A 61 -15.226 -11.326 3.606 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.781 -10.498 5.882 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.608 -9.800 4.783 1.00 0.00 H new ATOM 0 HG SER A 61 -14.570 -8.194 6.175 1.00 0.00 H new ATOM 924 N LYS A 62 -17.429 -11.292 4.894 1.00 0.00 N ATOM 925 CA LYS A 62 -18.824 -11.374 5.293 1.00 0.00 C ATOM 926 C LYS A 62 -19.176 -10.241 6.244 1.00 0.00 C ATOM 927 O LYS A 62 -20.251 -9.661 6.147 1.00 0.00 O ATOM 928 CB LYS A 62 -19.103 -12.719 5.966 1.00 0.00 C ATOM 929 CG LYS A 62 -20.593 -12.829 6.309 1.00 0.00 C ATOM 930 CD LYS A 62 -20.869 -14.183 6.960 1.00 0.00 C ATOM 931 CE LYS A 62 -22.357 -14.297 7.293 1.00 0.00 C ATOM 932 NZ LYS A 62 -22.626 -15.616 7.931 1.00 0.00 N ATOM 0 H LYS A 62 -16.858 -12.087 5.179 1.00 0.00 H new ATOM 0 HA LYS A 62 -19.441 -11.286 4.399 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -18.812 -13.535 5.304 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -18.504 -12.814 6.872 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -20.882 -12.024 6.984 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -21.194 -12.719 5.406 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -20.574 -14.988 6.288 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -20.274 -14.290 7.867 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -22.653 -13.490 7.963 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -22.952 -14.192 6.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -23.638 -15.692 8.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -22.359 -16.379 7.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -22.069 -15.699 8.805 1.00 0.00 H new ATOM 946 N LYS A 63 -18.271 -9.933 7.169 1.00 0.00 N ATOM 947 CA LYS A 63 -18.528 -8.874 8.139 1.00 0.00 C ATOM 948 C LYS A 63 -18.781 -7.548 7.424 1.00 0.00 C ATOM 949 O LYS A 63 -19.721 -6.820 7.738 1.00 0.00 O ATOM 950 CB LYS A 63 -17.307 -8.727 9.053 1.00 0.00 C ATOM 951 CG LYS A 63 -17.183 -9.955 9.959 1.00 0.00 C ATOM 952 CD LYS A 63 -15.941 -9.812 10.846 1.00 0.00 C ATOM 953 CE LYS A 63 -15.817 -11.037 11.753 1.00 0.00 C ATOM 954 NZ LYS A 63 -14.601 -10.905 12.606 1.00 0.00 N ATOM 0 H LYS A 63 -17.366 -10.394 7.267 1.00 0.00 H new ATOM 0 HA LYS A 63 -19.410 -9.134 8.725 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -16.404 -8.614 8.453 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -17.402 -7.826 9.659 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -18.075 -10.056 10.577 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -17.110 -10.860 9.355 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.049 -9.713 10.227 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.014 -8.906 11.448 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -16.705 -11.130 12.379 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -15.755 -11.943 11.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -14.517 -11.738 13.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.758 -10.836 12.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -14.678 -10.048 13.191 1.00 0.00 H new ATOM 968 N GLN A 64 -17.948 -7.247 6.451 1.00 0.00 N ATOM 969 CA GLN A 64 -18.109 -6.016 5.687 1.00 0.00 C ATOM 970 C GLN A 64 -19.332 -6.100 4.781 1.00 0.00 C ATOM 971 O GLN A 64 -20.078 -5.134 4.633 1.00 0.00 O ATOM 972 CB GLN A 64 -16.860 -5.744 4.854 1.00 0.00 C ATOM 973 CG GLN A 64 -15.706 -5.353 5.780 1.00 0.00 C ATOM 974 CD GLN A 64 -14.437 -5.135 4.965 1.00 0.00 C ATOM 975 OE1 GLN A 64 -14.503 -4.948 3.751 1.00 0.00 O ATOM 976 NE2 GLN A 64 -13.279 -5.145 5.565 1.00 0.00 N ATOM 0 H GLN A 64 -17.158 -7.827 6.168 1.00 0.00 H new ATOM 0 HA GLN A 64 -18.253 -5.195 6.389 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -16.594 -6.630 4.278 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -17.054 -4.945 4.139 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -15.958 -4.444 6.326 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -15.542 -6.135 6.521 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -13.228 -5.300 6.572 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -12.425 -4.997 5.027 1.00 0.00 H new ATOM 985 N ALA A 65 -19.516 -7.265 4.167 1.00 0.00 N ATOM 986 CA ALA A 65 -20.638 -7.477 3.259 1.00 0.00 C ATOM 987 C ALA A 65 -21.974 -7.386 3.987 1.00 0.00 C ATOM 988 O ALA A 65 -22.923 -6.788 3.486 1.00 0.00 O ATOM 989 CB ALA A 65 -20.510 -8.848 2.590 1.00 0.00 C ATOM 0 H ALA A 65 -18.905 -8.074 4.281 1.00 0.00 H new ATOM 0 HA ALA A 65 -20.611 -6.691 2.504 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -21.350 -9.002 1.913 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -19.577 -8.893 2.028 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -20.511 -9.627 3.353 1.00 0.00 H new ATOM 995 N LYS A 66 -22.049 -7.996 5.160 1.00 0.00 N ATOM 996 CA LYS A 66 -23.283 -7.982 5.919 1.00 0.00 C ATOM 997 C LYS A 66 -23.637 -6.559 6.338 1.00 0.00 C ATOM 998 O LYS A 66 -24.804 -6.170 6.337 1.00 0.00 O ATOM 999 CB LYS A 66 -23.139 -8.897 7.156 1.00 0.00 C ATOM 1000 CG LYS A 66 -22.646 -8.103 8.386 1.00 0.00 C ATOM 1001 CD LYS A 66 -22.221 -9.048 9.512 1.00 0.00 C ATOM 1002 CE LYS A 66 -23.453 -9.679 10.156 1.00 0.00 C ATOM 1003 NZ LYS A 66 -24.366 -8.598 10.624 1.00 0.00 N ATOM 0 H LYS A 66 -21.279 -8.500 5.600 1.00 0.00 H new ATOM 0 HA LYS A 66 -24.092 -8.358 5.293 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -24.099 -9.362 7.381 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -22.439 -9.703 6.936 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -21.806 -7.469 8.102 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -23.438 -7.443 8.739 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -21.568 -9.826 9.118 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -21.649 -8.501 10.261 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -23.966 -10.320 9.439 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -23.158 -10.311 10.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -24.993 -8.970 11.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -23.804 -7.811 11.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -24.939 -8.258 9.826 1.00 0.00 H new ATOM 1017 N MET A 67 -22.615 -5.802 6.724 1.00 0.00 N ATOM 1018 CA MET A 67 -22.825 -4.441 7.173 1.00 0.00 C ATOM 1019 C MET A 67 -23.473 -3.629 6.069 1.00 0.00 C ATOM 1020 O MET A 67 -24.418 -2.878 6.306 1.00 0.00 O ATOM 1021 CB MET A 67 -21.492 -3.807 7.586 1.00 0.00 C ATOM 1022 CG MET A 67 -21.728 -2.379 8.094 1.00 0.00 C ATOM 1023 SD MET A 67 -21.813 -1.240 6.687 1.00 0.00 S ATOM 1024 CE MET A 67 -20.061 -1.275 6.216 1.00 0.00 C ATOM 0 H MET A 67 -21.643 -6.110 6.733 1.00 0.00 H new ATOM 0 HA MET A 67 -23.487 -4.452 8.039 1.00 0.00 H new ATOM 0 HB2 MET A 67 -21.020 -4.406 8.365 1.00 0.00 H new ATOM 0 HB3 MET A 67 -20.808 -3.792 6.737 1.00 0.00 H new ATOM 0 HG2 MET A 67 -22.654 -2.335 8.667 1.00 0.00 H new ATOM 0 HG3 MET A 67 -20.922 -2.083 8.766 1.00 0.00 H new ATOM 0 HE1 MET A 67 -19.771 -0.301 5.821 1.00 0.00 H new ATOM 0 HE2 MET A 67 -19.454 -1.507 7.091 1.00 0.00 H new ATOM 0 HE3 MET A 67 -19.905 -2.038 5.453 1.00 0.00 H new ATOM 1034 N GLY A 68 -22.959 -3.794 4.858 1.00 0.00 N ATOM 1035 CA GLY A 68 -23.495 -3.079 3.712 1.00 0.00 C ATOM 1036 C GLY A 68 -24.914 -3.538 3.403 1.00 0.00 C ATOM 1037 O GLY A 68 -25.782 -2.727 3.078 1.00 0.00 O ATOM 0 H GLY A 68 -22.176 -4.413 4.646 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -23.490 -2.007 3.911 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -22.857 -3.245 2.844 1.00 0.00 H new ATOM 1041 N ALA A 69 -25.147 -4.842 3.503 1.00 0.00 N ATOM 1042 CA ALA A 69 -26.466 -5.389 3.223 1.00 0.00 C ATOM 1043 C ALA A 69 -27.503 -4.817 4.186 1.00 0.00 C ATOM 1044 O ALA A 69 -28.590 -4.412 3.772 1.00 0.00 O ATOM 1045 CB ALA A 69 -26.431 -6.914 3.357 1.00 0.00 C ATOM 0 H ALA A 69 -24.447 -5.533 3.773 1.00 0.00 H new ATOM 0 HA ALA A 69 -26.745 -5.115 2.206 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -27.420 -7.321 3.147 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -25.712 -7.325 2.649 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -26.136 -7.183 4.371 1.00 0.00 H new ATOM 1051 N ALA A 70 -27.158 -4.780 5.465 1.00 0.00 N ATOM 1052 CA ALA A 70 -28.069 -4.246 6.467 1.00 0.00 C ATOM 1053 C ALA A 70 -28.350 -2.770 6.200 1.00 0.00 C ATOM 1054 O ALA A 70 -29.489 -2.311 6.290 1.00 0.00 O ATOM 1055 CB ALA A 70 -27.463 -4.423 7.859 1.00 0.00 C ATOM 0 H ALA A 70 -26.265 -5.109 5.831 1.00 0.00 H new ATOM 0 HA ALA A 70 -29.012 -4.791 6.414 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -28.147 -4.022 8.607 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -27.296 -5.483 8.051 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -26.514 -3.890 7.913 1.00 0.00 H new ATOM 1061 N MET A 71 -27.297 -2.036 5.864 1.00 0.00 N ATOM 1062 CA MET A 71 -27.417 -0.622 5.568 1.00 0.00 C ATOM 1063 C MET A 71 -28.311 -0.404 4.356 1.00 0.00 C ATOM 1064 O MET A 71 -29.080 0.554 4.303 1.00 0.00 O ATOM 1065 CB MET A 71 -26.035 -0.018 5.321 1.00 0.00 C ATOM 1066 CG MET A 71 -26.165 1.498 5.134 1.00 0.00 C ATOM 1067 SD MET A 71 -24.519 2.238 4.964 1.00 0.00 S ATOM 1068 CE MET A 71 -25.056 3.959 4.784 1.00 0.00 C ATOM 0 H MET A 71 -26.348 -2.402 5.791 1.00 0.00 H new ATOM 0 HA MET A 71 -27.871 -0.125 6.425 1.00 0.00 H new ATOM 0 HB2 MET A 71 -25.376 -0.236 6.161 1.00 0.00 H new ATOM 0 HB3 MET A 71 -25.583 -0.467 4.436 1.00 0.00 H new ATOM 0 HG2 MET A 71 -26.764 1.715 4.250 1.00 0.00 H new ATOM 0 HG3 MET A 71 -26.685 1.936 5.986 1.00 0.00 H new ATOM 0 HE1 MET A 71 -24.445 4.454 4.028 1.00 0.00 H new ATOM 0 HE2 MET A 71 -26.102 3.984 4.478 1.00 0.00 H new ATOM 0 HE3 MET A 71 -24.944 4.477 5.737 1.00 0.00 H new ATOM 1078 N ASP A 72 -28.199 -1.293 3.373 1.00 0.00 N ATOM 1079 CA ASP A 72 -28.997 -1.175 2.166 1.00 0.00 C ATOM 1080 C ASP A 72 -30.480 -1.214 2.516 1.00 0.00 C ATOM 1081 O ASP A 72 -31.269 -0.407 2.022 1.00 0.00 O ATOM 1082 CB ASP A 72 -28.659 -2.326 1.213 1.00 0.00 C ATOM 1083 CG ASP A 72 -29.313 -2.094 -0.143 1.00 0.00 C ATOM 1084 OD1 ASP A 72 -30.047 -1.129 -0.267 1.00 0.00 O ATOM 1085 OD2 ASP A 72 -29.068 -2.885 -1.039 1.00 0.00 O ATOM 0 H ASP A 72 -27.568 -2.094 3.391 1.00 0.00 H new ATOM 0 HA ASP A 72 -28.773 -0.225 1.680 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -27.578 -2.405 1.095 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -29.004 -3.270 1.635 1.00 0.00 H new ATOM 1090 N ALA A 73 -30.855 -2.151 3.381 1.00 0.00 N ATOM 1091 CA ALA A 73 -32.247 -2.271 3.797 1.00 0.00 C ATOM 1092 C ALA A 73 -32.688 -1.001 4.503 1.00 0.00 C ATOM 1093 O ALA A 73 -33.803 -0.514 4.304 1.00 0.00 O ATOM 1094 CB ALA A 73 -32.414 -3.464 4.741 1.00 0.00 C ATOM 0 H ALA A 73 -30.223 -2.831 3.803 1.00 0.00 H new ATOM 0 HA ALA A 73 -32.864 -2.426 2.912 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -33.458 -3.544 5.045 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -32.114 -4.378 4.229 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -31.789 -3.321 5.622 1.00 0.00 H new ATOM 1100 N LEU A 74 -31.802 -0.463 5.328 1.00 0.00 N ATOM 1101 CA LEU A 74 -32.103 0.755 6.060 1.00 0.00 C ATOM 1102 C LEU A 74 -32.404 1.894 5.097 1.00 0.00 C ATOM 1103 O LEU A 74 -33.366 2.639 5.285 1.00 0.00 O ATOM 1104 CB LEU A 74 -30.922 1.131 6.956 1.00 0.00 C ATOM 1105 CG LEU A 74 -31.205 2.476 7.689 1.00 0.00 C ATOM 1106 CD1 LEU A 74 -30.773 2.379 9.154 1.00 0.00 C ATOM 1107 CD2 LEU A 74 -30.425 3.617 7.014 1.00 0.00 C ATOM 0 H LEU A 74 -30.875 -0.849 5.506 1.00 0.00 H new ATOM 0 HA LEU A 74 -32.982 0.580 6.680 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -30.745 0.341 7.686 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -30.016 1.219 6.357 1.00 0.00 H new ATOM 0 HG LEU A 74 -32.274 2.680 7.636 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -30.976 3.325 9.656 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -31.329 1.581 9.645 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -29.706 2.162 9.205 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -30.629 4.554 7.533 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -29.357 3.403 7.057 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -30.736 3.704 5.973 1.00 0.00 H new ATOM 1119 N GLU A 75 -31.577 2.021 4.065 1.00 0.00 N ATOM 1120 CA GLU A 75 -31.767 3.074 3.072 1.00 0.00 C ATOM 1121 C GLU A 75 -33.081 2.874 2.321 1.00 0.00 C ATOM 1122 O GLU A 75 -33.789 3.836 2.023 1.00 0.00 O ATOM 1123 CB GLU A 75 -30.607 3.068 2.078 1.00 0.00 C ATOM 1124 CG GLU A 75 -29.338 3.572 2.768 1.00 0.00 C ATOM 1125 CD GLU A 75 -28.136 3.381 1.851 1.00 0.00 C ATOM 1126 OE1 GLU A 75 -28.256 2.633 0.896 1.00 0.00 O ATOM 1127 OE2 GLU A 75 -27.113 3.990 2.116 1.00 0.00 O ATOM 0 H GLU A 75 -30.775 1.414 3.894 1.00 0.00 H new ATOM 0 HA GLU A 75 -31.799 4.033 3.590 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -30.449 2.060 1.694 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -30.844 3.701 1.223 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -29.447 4.626 3.024 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -29.183 3.032 3.702 1.00 0.00 H new ATOM 1134 N LYS A 76 -33.396 1.621 2.017 1.00 0.00 N ATOM 1135 CA LYS A 76 -34.624 1.305 1.298 1.00 0.00 C ATOM 1136 C LYS A 76 -35.826 1.360 2.231 1.00 0.00 C ATOM 1137 O LYS A 76 -36.970 1.304 1.783 1.00 0.00 O ATOM 1138 CB LYS A 76 -34.527 -0.090 0.688 1.00 0.00 C ATOM 1139 CG LYS A 76 -33.467 -0.094 -0.415 1.00 0.00 C ATOM 1140 CD LYS A 76 -33.495 -1.427 -1.173 1.00 0.00 C ATOM 1141 CE LYS A 76 -32.976 -2.556 -0.275 1.00 0.00 C ATOM 1142 NZ LYS A 76 -32.757 -3.780 -1.093 1.00 0.00 N ATOM 0 H LYS A 76 -32.822 0.812 2.255 1.00 0.00 H new ATOM 0 HA LYS A 76 -34.754 2.045 0.508 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -34.269 -0.817 1.458 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -35.493 -0.387 0.280 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -33.648 0.729 -1.106 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -32.480 0.065 0.019 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -34.512 -1.648 -1.497 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -32.882 -1.356 -2.072 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -32.045 -2.255 0.204 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -33.692 -2.761 0.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -32.405 -4.546 -0.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -33.655 -4.070 -1.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -32.058 -3.580 -1.837 1.00 0.00 H new ATOM 1156 N TYR A 77 -35.558 1.462 3.528 1.00 0.00 N ATOM 1157 CA TYR A 77 -36.624 1.525 4.521 1.00 0.00 C ATOM 1158 C TYR A 77 -37.363 0.191 4.593 1.00 0.00 C ATOM 1159 O TYR A 77 -37.718 -0.388 3.567 1.00 0.00 O ATOM 1160 CB TYR A 77 -37.609 2.652 4.171 1.00 0.00 C ATOM 1161 CG TYR A 77 -38.392 3.048 5.399 1.00 0.00 C ATOM 1162 CD1 TYR A 77 -37.837 3.945 6.319 1.00 0.00 C ATOM 1163 CD2 TYR A 77 -39.669 2.520 5.618 1.00 0.00 C ATOM 1164 CE1 TYR A 77 -38.559 4.312 7.460 1.00 0.00 C ATOM 1165 CE2 TYR A 77 -40.391 2.887 6.758 1.00 0.00 C ATOM 1166 CZ TYR A 77 -39.837 3.784 7.679 1.00 0.00 C ATOM 1167 OH TYR A 77 -40.549 4.145 8.804 1.00 0.00 O ATOM 0 H TYR A 77 -34.615 1.503 3.915 1.00 0.00 H new ATOM 0 HA TYR A 77 -36.179 1.733 5.494 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -37.066 3.513 3.781 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -38.289 2.322 3.386 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -36.852 4.354 6.148 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -40.097 1.829 4.907 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -38.131 5.002 8.172 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -41.376 2.478 6.928 1.00 0.00 H new ATOM 0 HH TYR A 77 -41.417 3.690 8.802 1.00 0.00 H new ATOM 1177 N ASN A 78 -37.588 -0.291 5.811 1.00 0.00 N ATOM 1178 CA ASN A 78 -38.281 -1.558 6.003 1.00 0.00 C ATOM 1179 C ASN A 78 -39.787 -1.370 5.848 1.00 0.00 C ATOM 1180 O ASN A 78 -40.335 -0.334 6.224 1.00 0.00 O ATOM 1181 CB ASN A 78 -37.980 -2.113 7.393 1.00 0.00 C ATOM 1182 CG ASN A 78 -36.476 -2.288 7.566 1.00 0.00 C ATOM 1183 OD1 ASN A 78 -35.880 -1.689 8.461 1.00 0.00 O ATOM 1184 ND2 ASN A 78 -35.825 -3.079 6.761 1.00 0.00 N ATOM 0 H ASN A 78 -37.303 0.173 6.673 1.00 0.00 H new ATOM 0 HA ASN A 78 -37.930 -2.261 5.247 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -38.367 -1.437 8.156 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -38.484 -3.070 7.529 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -34.819 -3.203 6.872 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -36.322 -3.574 6.020 1.00 0.00 H new ATOM 1191 N PHE A 79 -40.449 -2.378 5.287 1.00 0.00 N ATOM 1192 CA PHE A 79 -41.891 -2.316 5.077 1.00 0.00 C ATOM 1193 C PHE A 79 -42.304 -0.939 4.560 1.00 0.00 C ATOM 1194 O PHE A 79 -42.972 -0.177 5.260 1.00 0.00 O ATOM 1195 CB PHE A 79 -42.623 -2.619 6.382 1.00 0.00 C ATOM 1196 CG PHE A 79 -44.105 -2.731 6.106 1.00 0.00 C ATOM 1197 CD1 PHE A 79 -44.606 -3.843 5.420 1.00 0.00 C ATOM 1198 CD2 PHE A 79 -44.980 -1.725 6.540 1.00 0.00 C ATOM 1199 CE1 PHE A 79 -45.980 -3.952 5.168 1.00 0.00 C ATOM 1200 CE2 PHE A 79 -46.352 -1.834 6.288 1.00 0.00 C ATOM 1201 CZ PHE A 79 -46.852 -2.946 5.602 1.00 0.00 C ATOM 0 H PHE A 79 -40.012 -3.244 4.971 1.00 0.00 H new ATOM 0 HA PHE A 79 -42.161 -3.063 4.330 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -42.250 -3.547 6.815 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -42.435 -1.830 7.110 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -43.933 -4.618 5.084 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -44.595 -0.866 7.069 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -46.366 -4.811 4.640 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -47.025 -1.059 6.623 1.00 0.00 H new ATOM 0 HZ PHE A 79 -47.911 -3.029 5.407 1.00 0.00 H new ATOM 1211 N PRO A 80 -41.909 -0.607 3.356 1.00 0.00 N ATOM 1212 CA PRO A 80 -42.234 0.713 2.732 1.00 0.00 C ATOM 1213 C PRO A 80 -43.741 0.953 2.649 1.00 0.00 C ATOM 1214 O PRO A 80 -44.510 0.038 2.351 1.00 0.00 O ATOM 1215 CB PRO A 80 -41.612 0.614 1.325 1.00 0.00 C ATOM 1216 CG PRO A 80 -40.569 -0.451 1.434 1.00 0.00 C ATOM 1217 CD PRO A 80 -41.110 -1.451 2.449 1.00 0.00 C ATOM 0 HA PRO A 80 -41.847 1.549 3.314 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -42.363 0.355 0.579 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -41.174 1.564 1.020 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -40.393 -0.928 0.470 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -39.617 -0.035 1.763 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -41.719 -2.220 1.973 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -40.306 -1.963 2.978 1.00 0.00 H new ATOM 1225 N GLN A 81 -44.153 2.188 2.903 1.00 0.00 N ATOM 1226 CA GLN A 81 -45.564 2.536 2.838 1.00 0.00 C ATOM 1227 C GLN A 81 -45.728 4.049 2.723 1.00 0.00 C ATOM 1228 O GLN A 81 -45.183 4.803 3.530 1.00 0.00 O ATOM 1229 CB GLN A 81 -46.287 2.030 4.087 1.00 0.00 C ATOM 1230 CG GLN A 81 -47.789 2.277 3.942 1.00 0.00 C ATOM 1231 CD GLN A 81 -48.527 1.699 5.144 1.00 0.00 C ATOM 1232 OE1 GLN A 81 -47.922 1.034 5.985 1.00 0.00 O ATOM 1233 NE2 GLN A 81 -49.807 1.916 5.279 1.00 0.00 N ATOM 0 H GLN A 81 -43.535 2.959 3.154 1.00 0.00 H new ATOM 0 HA GLN A 81 -46.000 2.064 1.958 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -46.094 0.966 4.226 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -45.907 2.541 4.972 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -47.985 3.346 3.864 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -48.155 1.818 3.024 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -50.307 2.467 4.582 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -50.307 1.534 6.082 1.00 0.00 H new ATOM 1242 N MET A 82 -46.482 4.489 1.719 1.00 0.00 N ATOM 1243 CA MET A 82 -46.711 5.917 1.511 1.00 0.00 C ATOM 1244 C MET A 82 -47.912 6.387 2.327 1.00 0.00 C ATOM 1245 O MET A 82 -47.717 6.753 3.474 1.00 0.00 O ATOM 1246 CB MET A 82 -46.958 6.192 0.025 1.00 0.00 C ATOM 1247 CG MET A 82 -45.632 6.095 -0.737 1.00 0.00 C ATOM 1248 SD MET A 82 -45.903 6.443 -2.494 1.00 0.00 S ATOM 1249 CE MET A 82 -46.428 4.783 -2.993 1.00 0.00 C ATOM 1250 OXT MET A 82 -49.008 6.375 1.791 1.00 0.00 O ATOM 0 H MET A 82 -46.942 3.882 1.040 1.00 0.00 H new ATOM 0 HA MET A 82 -45.827 6.464 1.839 1.00 0.00 H new ATOM 0 HB2 MET A 82 -47.674 5.474 -0.375 1.00 0.00 H new ATOM 0 HB3 MET A 82 -47.394 7.183 -0.105 1.00 0.00 H new ATOM 0 HG2 MET A 82 -44.913 6.802 -0.324 1.00 0.00 H new ATOM 0 HG3 MET A 82 -45.205 5.099 -0.616 1.00 0.00 H new ATOM 0 HE1 MET A 82 -46.597 4.763 -4.070 1.00 0.00 H new ATOM 0 HE2 MET A 82 -45.652 4.063 -2.734 1.00 0.00 H new ATOM 0 HE3 MET A 82 -47.352 4.523 -2.476 1.00 0.00 H new TER 1260 MET A 82