USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 738 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 91 ASN : amide:sc= -0.649 K(o=-0.65,f=-6.5!) USER MOD Set 1.2: A 92 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 84 HIS :FLIP no HD1:sc= -2.42 F(o=-3.7,f=-2.9) USER MOD Set 2.2: A 86 MET CE :methyl 140:sc= -0.495 (180deg=-0.728) USER MOD Set 3.1: A 32 ASN : amide:sc= -1.46 K(o=-3.5,f=-7!) USER MOD Set 3.2: A 76 MET CE :methyl -160:sc= -2.08 (180deg=-0.732) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 103:sc= 0.126 USER MOD Single : A 13 THR OG1 : rot -170:sc= -0.993 USER MOD Single : A 14 MET CE :methyl 165:sc= -4.32! (180deg=-4.37!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl 177:sc= -1.04 (180deg=-1.08) USER MOD Single : A 37 TYR OH : rot 30:sc= -0.0406 USER MOD Single : A 38 CYS SG : rot 180:sc= -2.63! USER MOD Single : A 43 HIS :FLIP no HD1:sc= -0.03 F(o=-0.76,f=-0.03) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -2.45 X(o=-2.4,f=-2.3!) USER MOD Single : A 51 ASN : amide:sc= -0.172 K(o=-0.17,f=-2.1!) USER MOD Single : A 53 THR OG1 : rot -179:sc= -0.956 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 58 LYS NZ :NH3+ -141:sc=-0.00885 (180deg=-0.723) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -85:sc= 0.211 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0386 USER MOD Single : A 69 ASN : amide:sc= -0.51 X(o=-0.51,f=-0.056) USER MOD Single : A 71 GLN : amide:sc= -10.5! C(o=-11!,f=-10!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 165:sc= -4.86! (180deg=-5.62!) USER MOD Single : A 82 MET CE :methyl -116:sc= -0.676 (180deg=-2.95!) USER MOD Single : A 85 HIS :FLIP no HD1:sc= 0.249 F(o=-1.6!,f=0.25) USER MOD Single : A 89 HIS :FLIP no HD1:sc= 0.0926 F(o=-0.99,f=0.093) USER MOD Single : A 90 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.431) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.043 -15.748 -41.502 1.00 0.00 N ATOM 2 CA GLY A 1 2.590 -15.909 -40.132 1.00 0.00 C ATOM 3 C GLY A 1 3.622 -15.448 -39.122 1.00 0.00 C ATOM 4 O GLY A 1 4.818 -15.687 -39.293 1.00 0.00 O ATOM 0 H1 GLY A 1 2.302 -16.077 -42.154 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.244 -14.744 -41.685 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.907 -16.307 -41.650 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.669 -15.345 -39.989 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.353 -16.958 -39.952 1.00 0.00 H new ATOM 8 N SER A 2 3.160 -14.784 -38.068 1.00 0.00 N ATOM 9 CA SER A 2 4.053 -14.283 -37.029 1.00 0.00 C ATOM 10 C SER A 2 4.284 -15.341 -35.955 1.00 0.00 C ATOM 11 O SER A 2 3.563 -16.336 -35.882 1.00 0.00 O ATOM 12 CB SER A 2 3.473 -13.016 -36.397 1.00 0.00 C ATOM 13 OG SER A 2 3.223 -12.025 -37.378 1.00 0.00 O ATOM 0 H SER A 2 2.173 -14.580 -37.910 1.00 0.00 H new ATOM 0 HA SER A 2 5.011 -14.045 -37.491 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.547 -13.257 -35.875 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.167 -12.627 -35.652 1.00 0.00 H new ATOM 0 HG SER A 2 2.851 -11.226 -36.949 1.00 0.00 H new ATOM 19 N SER A 3 5.296 -15.119 -35.122 1.00 0.00 N ATOM 20 CA SER A 3 5.626 -16.054 -34.053 1.00 0.00 C ATOM 21 C SER A 3 5.618 -15.354 -32.697 1.00 0.00 C ATOM 22 O SER A 3 4.849 -15.712 -31.806 1.00 0.00 O ATOM 23 CB SER A 3 6.996 -16.686 -34.305 1.00 0.00 C ATOM 24 OG SER A 3 7.147 -17.887 -33.568 1.00 0.00 O ATOM 0 H SER A 3 5.902 -14.299 -35.167 1.00 0.00 H new ATOM 0 HA SER A 3 4.868 -16.838 -34.042 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.115 -16.891 -35.369 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.781 -15.983 -34.026 1.00 0.00 H new ATOM 0 HG SER A 3 8.030 -18.272 -33.748 1.00 0.00 H new ATOM 30 N GLY A 4 6.482 -14.354 -32.549 1.00 0.00 N ATOM 31 CA GLY A 4 6.559 -13.620 -31.300 1.00 0.00 C ATOM 32 C GLY A 4 7.838 -13.906 -30.538 1.00 0.00 C ATOM 33 O GLY A 4 7.980 -14.964 -29.926 1.00 0.00 O ATOM 0 H GLY A 4 7.130 -14.040 -33.272 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.493 -12.552 -31.505 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.703 -13.878 -30.677 1.00 0.00 H new ATOM 37 N SER A 5 8.772 -12.960 -30.576 1.00 0.00 N ATOM 38 CA SER A 5 10.047 -13.118 -29.887 1.00 0.00 C ATOM 39 C SER A 5 10.292 -11.959 -28.926 1.00 0.00 C ATOM 40 O SER A 5 9.861 -10.833 -29.171 1.00 0.00 O ATOM 41 CB SER A 5 11.191 -13.205 -30.900 1.00 0.00 C ATOM 42 OG SER A 5 12.279 -13.947 -30.378 1.00 0.00 O ATOM 0 H SER A 5 8.669 -12.077 -31.076 1.00 0.00 H new ATOM 0 HA SER A 5 10.009 -14.043 -29.312 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.834 -13.674 -31.817 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.524 -12.201 -31.164 1.00 0.00 H new ATOM 0 HG SER A 5 12.996 -13.989 -31.045 1.00 0.00 H new ATOM 48 N SER A 6 10.988 -12.245 -27.830 1.00 0.00 N ATOM 49 CA SER A 6 11.288 -11.228 -26.828 1.00 0.00 C ATOM 50 C SER A 6 12.674 -11.448 -26.229 1.00 0.00 C ATOM 51 O SER A 6 13.069 -12.579 -25.950 1.00 0.00 O ATOM 52 CB SER A 6 10.232 -11.246 -25.721 1.00 0.00 C ATOM 53 OG SER A 6 10.364 -12.400 -24.909 1.00 0.00 O ATOM 0 H SER A 6 11.355 -13.172 -27.613 1.00 0.00 H new ATOM 0 HA SER A 6 11.274 -10.254 -27.318 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.330 -10.352 -25.106 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.236 -11.221 -26.164 1.00 0.00 H new ATOM 0 HG SER A 6 9.679 -12.387 -24.208 1.00 0.00 H new ATOM 59 N GLY A 7 13.407 -10.356 -26.035 1.00 0.00 N ATOM 60 CA GLY A 7 14.742 -10.450 -25.472 1.00 0.00 C ATOM 61 C GLY A 7 15.430 -9.102 -25.386 1.00 0.00 C ATOM 62 O GLY A 7 16.448 -8.875 -26.040 1.00 0.00 O ATOM 0 H GLY A 7 13.101 -9.409 -26.257 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.683 -10.889 -24.476 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.344 -11.124 -26.082 1.00 0.00 H new ATOM 66 N MET A 8 14.874 -8.205 -24.578 1.00 0.00 N ATOM 67 CA MET A 8 15.442 -6.873 -24.409 1.00 0.00 C ATOM 68 C MET A 8 15.281 -6.391 -22.971 1.00 0.00 C ATOM 69 O MET A 8 14.227 -6.572 -22.360 1.00 0.00 O ATOM 70 CB MET A 8 14.775 -5.885 -25.369 1.00 0.00 C ATOM 71 CG MET A 8 13.284 -6.121 -25.544 1.00 0.00 C ATOM 72 SD MET A 8 12.310 -5.446 -24.185 1.00 0.00 S ATOM 73 CE MET A 8 11.029 -6.689 -24.037 1.00 0.00 C ATOM 0 H MET A 8 14.031 -8.377 -24.030 1.00 0.00 H new ATOM 0 HA MET A 8 16.506 -6.928 -24.637 1.00 0.00 H new ATOM 0 HB2 MET A 8 14.933 -4.871 -25.002 1.00 0.00 H new ATOM 0 HB3 MET A 8 15.262 -5.951 -26.342 1.00 0.00 H new ATOM 0 HG2 MET A 8 12.956 -5.669 -26.480 1.00 0.00 H new ATOM 0 HG3 MET A 8 13.096 -7.192 -25.624 1.00 0.00 H new ATOM 0 HE1 MET A 8 10.345 -6.413 -23.235 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.479 -6.758 -24.975 1.00 0.00 H new ATOM 0 HE3 MET A 8 11.483 -7.654 -23.811 1.00 0.00 H new ATOM 83 N LEU A 9 16.330 -5.778 -22.436 1.00 0.00 N ATOM 84 CA LEU A 9 16.304 -5.269 -21.069 1.00 0.00 C ATOM 85 C LEU A 9 15.664 -3.885 -21.015 1.00 0.00 C ATOM 86 O LEU A 9 14.623 -3.696 -20.387 1.00 0.00 O ATOM 87 CB LEU A 9 17.722 -5.210 -20.499 1.00 0.00 C ATOM 88 CG LEU A 9 18.370 -6.555 -20.170 1.00 0.00 C ATOM 89 CD1 LEU A 9 19.879 -6.407 -20.055 1.00 0.00 C ATOM 90 CD2 LEU A 9 17.789 -7.127 -18.885 1.00 0.00 C ATOM 0 H LEU A 9 17.210 -5.621 -22.928 1.00 0.00 H new ATOM 0 HA LEU A 9 15.704 -5.950 -20.465 1.00 0.00 H new ATOM 0 HB2 LEU A 9 18.358 -4.688 -21.214 1.00 0.00 H new ATOM 0 HB3 LEU A 9 17.702 -4.607 -19.591 1.00 0.00 H new ATOM 0 HG LEU A 9 18.155 -7.248 -20.983 1.00 0.00 H new ATOM 0 HD11 LEU A 9 20.323 -7.375 -19.820 1.00 0.00 H new ATOM 0 HD12 LEU A 9 20.282 -6.043 -21.000 1.00 0.00 H new ATOM 0 HD13 LEU A 9 20.116 -5.698 -19.262 1.00 0.00 H new ATOM 0 HD21 LEU A 9 18.262 -8.084 -18.666 1.00 0.00 H new ATOM 0 HD22 LEU A 9 17.973 -6.435 -18.063 1.00 0.00 H new ATOM 0 HD23 LEU A 9 16.715 -7.272 -19.004 1.00 0.00 H new ATOM 102 N SER A 10 16.294 -2.921 -21.680 1.00 0.00 N ATOM 103 CA SER A 10 15.786 -1.555 -21.707 1.00 0.00 C ATOM 104 C SER A 10 14.530 -1.459 -22.568 1.00 0.00 C ATOM 105 O SER A 10 14.412 -2.133 -23.590 1.00 0.00 O ATOM 106 CB SER A 10 16.857 -0.601 -22.240 1.00 0.00 C ATOM 107 OG SER A 10 17.040 -0.768 -23.635 1.00 0.00 O ATOM 0 H SER A 10 17.156 -3.061 -22.207 1.00 0.00 H new ATOM 0 HA SER A 10 15.529 -1.269 -20.687 1.00 0.00 H new ATOM 0 HB2 SER A 10 16.569 0.429 -22.029 1.00 0.00 H new ATOM 0 HB3 SER A 10 17.799 -0.781 -21.722 1.00 0.00 H new ATOM 0 HG SER A 10 16.595 -0.038 -24.113 1.00 0.00 H new ATOM 113 N ALA A 11 13.593 -0.616 -22.145 1.00 0.00 N ATOM 114 CA ALA A 11 12.346 -0.430 -22.876 1.00 0.00 C ATOM 115 C ALA A 11 12.609 0.091 -24.285 1.00 0.00 C ATOM 116 O ALA A 11 12.507 -0.652 -25.261 1.00 0.00 O ATOM 117 CB ALA A 11 11.429 0.521 -22.122 1.00 0.00 C ATOM 0 H ALA A 11 13.674 -0.051 -21.300 1.00 0.00 H new ATOM 0 HA ALA A 11 11.855 -1.399 -22.961 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.501 0.651 -22.680 1.00 0.00 H new ATOM 0 HB2 ALA A 11 11.206 0.108 -21.138 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.921 1.487 -22.007 1.00 0.00 H new ATOM 123 N ARG A 12 12.947 1.373 -24.384 1.00 0.00 N ATOM 124 CA ARG A 12 13.223 1.993 -25.674 1.00 0.00 C ATOM 125 C ARG A 12 14.724 2.041 -25.945 1.00 0.00 C ATOM 126 O ARG A 12 15.529 1.612 -25.118 1.00 0.00 O ATOM 127 CB ARG A 12 12.640 3.407 -25.719 1.00 0.00 C ATOM 128 CG ARG A 12 11.189 3.454 -26.167 1.00 0.00 C ATOM 129 CD ARG A 12 10.258 2.895 -25.103 1.00 0.00 C ATOM 130 NE ARG A 12 10.082 1.451 -25.234 1.00 0.00 N ATOM 131 CZ ARG A 12 9.379 0.882 -26.207 1.00 0.00 C ATOM 132 NH1 ARG A 12 8.790 1.631 -27.129 1.00 0.00 N ATOM 133 NH2 ARG A 12 9.264 -0.439 -26.259 1.00 0.00 N ATOM 0 H ARG A 12 13.036 2.002 -23.586 1.00 0.00 H new ATOM 0 HA ARG A 12 12.751 1.388 -26.448 1.00 0.00 H new ATOM 0 HB2 ARG A 12 12.720 3.855 -24.729 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.240 4.017 -26.395 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.910 4.483 -26.392 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.073 2.884 -27.089 1.00 0.00 H new ATOM 0 HD2 ARG A 12 10.658 3.123 -24.115 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.288 3.387 -25.176 1.00 0.00 H new ATOM 0 HE ARG A 12 10.523 0.847 -24.541 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.876 2.647 -27.092 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.251 1.191 -27.875 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.716 -1.018 -25.551 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.724 -0.875 -27.007 1.00 0.00 H new ATOM 147 N THR A 13 15.093 2.565 -27.109 1.00 0.00 N ATOM 148 CA THR A 13 16.496 2.667 -27.491 1.00 0.00 C ATOM 149 C THR A 13 17.238 3.656 -26.599 1.00 0.00 C ATOM 150 O THR A 13 16.635 4.564 -26.027 1.00 0.00 O ATOM 151 CB THR A 13 16.649 3.103 -28.960 1.00 0.00 C ATOM 152 OG1 THR A 13 18.005 2.927 -29.385 1.00 0.00 O ATOM 153 CG2 THR A 13 16.241 4.558 -29.138 1.00 0.00 C ATOM 0 H THR A 13 14.439 2.926 -27.804 1.00 0.00 H new ATOM 0 HA THR A 13 16.930 1.675 -27.368 1.00 0.00 H new ATOM 0 HB THR A 13 15.994 2.481 -29.570 1.00 0.00 H new ATOM 0 HG1 THR A 13 18.131 3.349 -30.260 1.00 0.00 H new ATOM 0 HG21 THR A 13 16.358 4.843 -30.184 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.199 4.683 -28.842 1.00 0.00 H new ATOM 0 HG23 THR A 13 16.873 5.192 -28.516 1.00 0.00 H new ATOM 161 N MET A 14 18.550 3.476 -26.486 1.00 0.00 N ATOM 162 CA MET A 14 19.374 4.355 -25.665 1.00 0.00 C ATOM 163 C MET A 14 20.587 4.850 -26.447 1.00 0.00 C ATOM 164 O MET A 14 21.584 5.275 -25.863 1.00 0.00 O ATOM 165 CB MET A 14 19.831 3.626 -24.400 1.00 0.00 C ATOM 166 CG MET A 14 21.085 2.790 -24.600 1.00 0.00 C ATOM 167 SD MET A 14 21.226 1.452 -23.400 1.00 0.00 S ATOM 168 CE MET A 14 21.140 2.365 -21.862 1.00 0.00 C ATOM 0 H MET A 14 19.065 2.729 -26.953 1.00 0.00 H new ATOM 0 HA MET A 14 18.770 5.217 -25.381 1.00 0.00 H new ATOM 0 HB2 MET A 14 20.014 4.359 -23.614 1.00 0.00 H new ATOM 0 HB3 MET A 14 19.025 2.980 -24.052 1.00 0.00 H new ATOM 0 HG2 MET A 14 21.081 2.371 -25.606 1.00 0.00 H new ATOM 0 HG3 MET A 14 21.962 3.433 -24.526 1.00 0.00 H new ATOM 0 HE1 MET A 14 20.946 1.676 -21.040 1.00 0.00 H new ATOM 0 HE2 MET A 14 22.086 2.878 -21.690 1.00 0.00 H new ATOM 0 HE3 MET A 14 20.335 3.098 -21.918 1.00 0.00 H new ATOM 178 N LYS A 15 20.495 4.792 -27.771 1.00 0.00 N ATOM 179 CA LYS A 15 21.583 5.236 -28.634 1.00 0.00 C ATOM 180 C LYS A 15 21.688 6.757 -28.638 1.00 0.00 C ATOM 181 O LYS A 15 22.769 7.313 -28.833 1.00 0.00 O ATOM 182 CB LYS A 15 21.371 4.725 -30.061 1.00 0.00 C ATOM 183 CG LYS A 15 21.989 3.361 -30.317 1.00 0.00 C ATOM 184 CD LYS A 15 21.098 2.241 -29.807 1.00 0.00 C ATOM 185 CE LYS A 15 21.533 0.889 -30.353 1.00 0.00 C ATOM 186 NZ LYS A 15 21.002 0.649 -31.724 1.00 0.00 N ATOM 0 H LYS A 15 19.677 4.442 -28.270 1.00 0.00 H new ATOM 0 HA LYS A 15 22.514 4.826 -28.243 1.00 0.00 H new ATOM 0 HB2 LYS A 15 20.301 4.674 -30.264 1.00 0.00 H new ATOM 0 HB3 LYS A 15 21.795 5.444 -30.762 1.00 0.00 H new ATOM 0 HG2 LYS A 15 22.160 3.233 -31.386 1.00 0.00 H new ATOM 0 HG3 LYS A 15 22.962 3.304 -29.829 1.00 0.00 H new ATOM 0 HD2 LYS A 15 21.126 2.220 -28.718 1.00 0.00 H new ATOM 0 HD3 LYS A 15 20.065 2.436 -30.096 1.00 0.00 H new ATOM 0 HE2 LYS A 15 22.622 0.837 -30.371 1.00 0.00 H new ATOM 0 HE3 LYS A 15 21.187 0.099 -29.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 21.320 -0.282 -32.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 19.962 0.673 -31.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 21.352 1.388 -32.366 1.00 0.00 H new ATOM 200 N GLU A 16 20.559 7.425 -28.421 1.00 0.00 N ATOM 201 CA GLU A 16 20.526 8.882 -28.399 1.00 0.00 C ATOM 202 C GLU A 16 20.289 9.400 -26.983 1.00 0.00 C ATOM 203 O GLU A 16 21.042 10.236 -26.482 1.00 0.00 O ATOM 204 CB GLU A 16 19.433 9.404 -29.334 1.00 0.00 C ATOM 205 CG GLU A 16 18.277 8.436 -29.519 1.00 0.00 C ATOM 206 CD GLU A 16 17.079 9.078 -30.191 1.00 0.00 C ATOM 207 OE1 GLU A 16 17.013 9.050 -31.438 1.00 0.00 O ATOM 208 OE2 GLU A 16 16.209 9.610 -29.470 1.00 0.00 O ATOM 0 H GLU A 16 19.656 6.980 -28.258 1.00 0.00 H new ATOM 0 HA GLU A 16 21.494 9.247 -28.744 1.00 0.00 H new ATOM 0 HB2 GLU A 16 19.049 10.345 -28.940 1.00 0.00 H new ATOM 0 HB3 GLU A 16 19.873 9.622 -30.307 1.00 0.00 H new ATOM 0 HG2 GLU A 16 18.611 7.587 -30.115 1.00 0.00 H new ATOM 0 HG3 GLU A 16 17.977 8.045 -28.547 1.00 0.00 H new ATOM 215 N VAL A 17 19.238 8.898 -26.344 1.00 0.00 N ATOM 216 CA VAL A 17 18.901 9.308 -24.986 1.00 0.00 C ATOM 217 C VAL A 17 19.047 10.816 -24.815 1.00 0.00 C ATOM 218 O VAL A 17 19.260 11.308 -23.707 1.00 0.00 O ATOM 219 CB VAL A 17 19.790 8.597 -23.949 1.00 0.00 C ATOM 220 CG1 VAL A 17 21.199 9.168 -23.971 1.00 0.00 C ATOM 221 CG2 VAL A 17 19.181 8.710 -22.559 1.00 0.00 C ATOM 0 H VAL A 17 18.605 8.206 -26.745 1.00 0.00 H new ATOM 0 HA VAL A 17 17.862 9.025 -24.818 1.00 0.00 H new ATOM 0 HB VAL A 17 19.849 7.540 -24.210 1.00 0.00 H new ATOM 0 HG11 VAL A 17 21.812 8.653 -23.231 1.00 0.00 H new ATOM 0 HG12 VAL A 17 21.632 9.029 -24.962 1.00 0.00 H new ATOM 0 HG13 VAL A 17 21.164 10.232 -23.736 1.00 0.00 H new ATOM 0 HG21 VAL A 17 19.822 8.202 -21.838 1.00 0.00 H new ATOM 0 HG22 VAL A 17 19.090 9.761 -22.286 1.00 0.00 H new ATOM 0 HG23 VAL A 17 18.194 8.248 -22.556 1.00 0.00 H new ATOM 231 N VAL A 18 18.929 11.545 -25.921 1.00 0.00 N ATOM 232 CA VAL A 18 19.046 12.998 -25.894 1.00 0.00 C ATOM 233 C VAL A 18 17.740 13.662 -26.313 1.00 0.00 C ATOM 234 O VAL A 18 17.333 14.674 -25.741 1.00 0.00 O ATOM 235 CB VAL A 18 20.178 13.488 -26.817 1.00 0.00 C ATOM 236 CG1 VAL A 18 21.533 13.066 -26.269 1.00 0.00 C ATOM 237 CG2 VAL A 18 19.977 12.962 -28.230 1.00 0.00 C ATOM 0 H VAL A 18 18.753 11.153 -26.846 1.00 0.00 H new ATOM 0 HA VAL A 18 19.279 13.277 -24.867 1.00 0.00 H new ATOM 0 HB VAL A 18 20.151 14.577 -26.852 1.00 0.00 H new ATOM 0 HG11 VAL A 18 22.321 13.421 -26.934 1.00 0.00 H new ATOM 0 HG12 VAL A 18 21.674 13.496 -25.277 1.00 0.00 H new ATOM 0 HG13 VAL A 18 21.576 11.979 -26.203 1.00 0.00 H new ATOM 0 HG21 VAL A 18 20.785 13.318 -28.869 1.00 0.00 H new ATOM 0 HG22 VAL A 18 19.978 11.872 -28.216 1.00 0.00 H new ATOM 0 HG23 VAL A 18 19.023 13.319 -28.619 1.00 0.00 H new ATOM 247 N TYR A 19 17.086 13.087 -27.316 1.00 0.00 N ATOM 248 CA TYR A 19 15.826 13.625 -27.816 1.00 0.00 C ATOM 249 C TYR A 19 14.646 13.081 -27.015 1.00 0.00 C ATOM 250 O TYR A 19 13.488 13.352 -27.333 1.00 0.00 O ATOM 251 CB TYR A 19 15.652 13.282 -29.296 1.00 0.00 C ATOM 252 CG TYR A 19 16.885 13.551 -30.129 1.00 0.00 C ATOM 253 CD1 TYR A 19 17.172 14.831 -30.587 1.00 0.00 C ATOM 254 CD2 TYR A 19 17.762 12.526 -30.458 1.00 0.00 C ATOM 255 CE1 TYR A 19 18.297 15.082 -31.348 1.00 0.00 C ATOM 256 CE2 TYR A 19 18.890 12.767 -31.218 1.00 0.00 C ATOM 257 CZ TYR A 19 19.153 14.047 -31.661 1.00 0.00 C ATOM 258 OH TYR A 19 20.275 14.291 -32.419 1.00 0.00 O ATOM 0 H TYR A 19 17.407 12.248 -27.799 1.00 0.00 H new ATOM 0 HA TYR A 19 15.852 14.709 -27.702 1.00 0.00 H new ATOM 0 HB2 TYR A 19 15.385 12.229 -29.387 1.00 0.00 H new ATOM 0 HB3 TYR A 19 14.819 13.858 -29.698 1.00 0.00 H new ATOM 0 HD1 TYR A 19 16.504 15.644 -30.344 1.00 0.00 H new ATOM 0 HD2 TYR A 19 17.559 11.523 -30.114 1.00 0.00 H new ATOM 0 HE1 TYR A 19 18.505 16.083 -31.696 1.00 0.00 H new ATOM 0 HE2 TYR A 19 19.562 11.958 -31.464 1.00 0.00 H new ATOM 0 HH TYR A 19 20.771 13.456 -32.548 1.00 0.00 H new ATOM 268 N TRP A 20 14.950 12.314 -25.974 1.00 0.00 N ATOM 269 CA TRP A 20 13.916 11.733 -25.126 1.00 0.00 C ATOM 270 C TRP A 20 12.945 12.803 -24.639 1.00 0.00 C ATOM 271 O TRP A 20 13.047 13.968 -25.025 1.00 0.00 O ATOM 272 CB TRP A 20 14.550 11.020 -23.930 1.00 0.00 C ATOM 273 CG TRP A 20 15.021 9.633 -24.247 1.00 0.00 C ATOM 274 CD1 TRP A 20 14.989 9.014 -25.464 1.00 0.00 C ATOM 275 CD2 TRP A 20 15.592 8.692 -23.332 1.00 0.00 C ATOM 276 NE1 TRP A 20 15.506 7.746 -25.361 1.00 0.00 N ATOM 277 CE2 TRP A 20 15.884 7.524 -24.063 1.00 0.00 C ATOM 278 CE3 TRP A 20 15.887 8.722 -21.966 1.00 0.00 C ATOM 279 CZ2 TRP A 20 16.455 6.399 -23.473 1.00 0.00 C ATOM 280 CZ3 TRP A 20 16.454 7.606 -21.382 1.00 0.00 C ATOM 281 CH2 TRP A 20 16.734 6.457 -22.134 1.00 0.00 C ATOM 0 H TRP A 20 15.903 12.080 -25.697 1.00 0.00 H new ATOM 0 HA TRP A 20 13.360 11.008 -25.720 1.00 0.00 H new ATOM 0 HB2 TRP A 20 15.394 11.609 -23.570 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.825 10.973 -23.118 1.00 0.00 H new ATOM 0 HD1 TRP A 20 14.612 9.457 -26.374 1.00 0.00 H new ATOM 0 HE1 TRP A 20 15.594 7.078 -26.127 1.00 0.00 H new ATOM 0 HE3 TRP A 20 15.675 9.602 -21.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 16.670 5.513 -24.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 16.686 7.619 -20.327 1.00 0.00 H new ATOM 0 HH2 TRP A 20 17.178 5.601 -21.648 1.00 0.00 H new ATOM 292 N SER A 21 12.005 12.401 -23.790 1.00 0.00 N ATOM 293 CA SER A 21 11.014 13.327 -23.253 1.00 0.00 C ATOM 294 C SER A 21 11.186 13.493 -21.747 1.00 0.00 C ATOM 295 O SER A 21 11.895 12.732 -21.089 1.00 0.00 O ATOM 296 CB SER A 21 9.600 12.830 -23.565 1.00 0.00 C ATOM 297 OG SER A 21 9.068 13.487 -24.702 1.00 0.00 O ATOM 0 H SER A 21 11.908 11.441 -23.459 1.00 0.00 H new ATOM 0 HA SER A 21 11.164 14.297 -23.727 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.619 11.754 -23.739 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.953 13.002 -22.705 1.00 0.00 H new ATOM 0 HG SER A 21 8.165 13.151 -24.881 1.00 0.00 H new ATOM 303 N PRO A 22 10.521 14.514 -21.185 1.00 0.00 N ATOM 304 CA PRO A 22 10.583 14.806 -19.750 1.00 0.00 C ATOM 305 C PRO A 22 9.868 13.751 -18.913 1.00 0.00 C ATOM 306 O PRO A 22 10.039 13.689 -17.695 1.00 0.00 O ATOM 307 CB PRO A 22 9.872 16.156 -19.631 1.00 0.00 C ATOM 308 CG PRO A 22 8.956 16.206 -20.806 1.00 0.00 C ATOM 309 CD PRO A 22 9.656 15.462 -21.909 1.00 0.00 C ATOM 0 HA PRO A 22 11.608 14.815 -19.380 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.319 16.231 -18.695 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.584 16.981 -19.648 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.996 15.745 -20.572 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.752 17.236 -21.098 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.948 14.946 -22.558 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.237 16.134 -22.541 1.00 0.00 H new ATOM 317 N LYS A 23 9.066 12.922 -19.572 1.00 0.00 N ATOM 318 CA LYS A 23 8.326 11.868 -18.889 1.00 0.00 C ATOM 319 C LYS A 23 9.066 10.537 -18.980 1.00 0.00 C ATOM 320 O LYS A 23 8.865 9.646 -18.155 1.00 0.00 O ATOM 321 CB LYS A 23 6.926 11.727 -19.492 1.00 0.00 C ATOM 322 CG LYS A 23 5.883 12.603 -18.818 1.00 0.00 C ATOM 323 CD LYS A 23 5.362 11.965 -17.541 1.00 0.00 C ATOM 324 CE LYS A 23 4.391 10.833 -17.839 1.00 0.00 C ATOM 325 NZ LYS A 23 4.368 9.821 -16.747 1.00 0.00 N ATOM 0 H LYS A 23 8.912 12.960 -20.580 1.00 0.00 H new ATOM 0 HA LYS A 23 8.237 12.143 -17.838 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.969 11.978 -20.552 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.613 10.685 -19.423 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.317 13.576 -18.589 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.054 12.777 -19.504 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.199 11.583 -16.956 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.866 12.721 -16.932 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.390 11.240 -17.978 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.672 10.351 -18.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.694 9.066 -16.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.318 9.414 -16.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.076 10.276 -15.858 1.00 0.00 H new ATOM 339 N LYS A 24 9.923 10.409 -19.987 1.00 0.00 N ATOM 340 CA LYS A 24 10.696 9.189 -20.185 1.00 0.00 C ATOM 341 C LYS A 24 11.915 9.162 -19.269 1.00 0.00 C ATOM 342 O LYS A 24 12.131 8.197 -18.535 1.00 0.00 O ATOM 343 CB LYS A 24 11.139 9.072 -21.645 1.00 0.00 C ATOM 344 CG LYS A 24 12.312 8.130 -21.851 1.00 0.00 C ATOM 345 CD LYS A 24 12.014 6.741 -21.310 1.00 0.00 C ATOM 346 CE LYS A 24 13.152 5.774 -21.600 1.00 0.00 C ATOM 347 NZ LYS A 24 12.930 4.449 -20.960 1.00 0.00 N ATOM 0 H LYS A 24 10.100 11.137 -20.680 1.00 0.00 H new ATOM 0 HA LYS A 24 10.058 8.341 -19.936 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.297 8.727 -22.245 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.409 10.061 -22.014 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.545 8.065 -22.914 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.195 8.533 -21.355 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.847 6.796 -20.234 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.093 6.365 -21.756 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.253 5.644 -22.678 1.00 0.00 H new ATOM 0 HE3 LYS A 24 14.090 6.198 -21.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.727 3.819 -21.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.859 4.569 -19.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.048 4.032 -21.322 1.00 0.00 H new ATOM 361 N VAL A 25 12.708 10.227 -19.315 1.00 0.00 N ATOM 362 CA VAL A 25 13.905 10.326 -18.488 1.00 0.00 C ATOM 363 C VAL A 25 13.658 9.761 -17.094 1.00 0.00 C ATOM 364 O VAL A 25 14.558 9.197 -16.473 1.00 0.00 O ATOM 365 CB VAL A 25 14.381 11.786 -18.362 1.00 0.00 C ATOM 366 CG1 VAL A 25 15.535 11.888 -17.376 1.00 0.00 C ATOM 367 CG2 VAL A 25 14.780 12.335 -19.723 1.00 0.00 C ATOM 0 H VAL A 25 12.543 11.034 -19.916 1.00 0.00 H new ATOM 0 HA VAL A 25 14.680 9.740 -18.982 1.00 0.00 H new ATOM 0 HB VAL A 25 13.556 12.388 -17.981 1.00 0.00 H new ATOM 0 HG11 VAL A 25 15.858 12.926 -17.300 1.00 0.00 H new ATOM 0 HG12 VAL A 25 15.209 11.537 -16.397 1.00 0.00 H new ATOM 0 HG13 VAL A 25 16.366 11.274 -17.724 1.00 0.00 H new ATOM 0 HG21 VAL A 25 15.114 13.367 -19.615 1.00 0.00 H new ATOM 0 HG22 VAL A 25 15.590 11.733 -20.135 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.923 12.299 -20.395 1.00 0.00 H new ATOM 377 N ALA A 26 12.431 9.916 -16.608 1.00 0.00 N ATOM 378 CA ALA A 26 12.064 9.419 -15.288 1.00 0.00 C ATOM 379 C ALA A 26 11.957 7.897 -15.284 1.00 0.00 C ATOM 380 O ALA A 26 12.656 7.219 -14.531 1.00 0.00 O ATOM 381 CB ALA A 26 10.752 10.043 -14.835 1.00 0.00 C ATOM 0 H ALA A 26 11.674 10.382 -17.109 1.00 0.00 H new ATOM 0 HA ALA A 26 12.850 9.704 -14.589 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.490 9.663 -13.848 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.861 11.127 -14.789 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.964 9.787 -15.543 1.00 0.00 H new ATOM 387 N ASP A 27 11.079 7.369 -16.129 1.00 0.00 N ATOM 388 CA ASP A 27 10.881 5.927 -16.223 1.00 0.00 C ATOM 389 C ASP A 27 12.218 5.192 -16.197 1.00 0.00 C ATOM 390 O ASP A 27 12.320 4.089 -15.662 1.00 0.00 O ATOM 391 CB ASP A 27 10.118 5.578 -17.501 1.00 0.00 C ATOM 392 CG ASP A 27 8.616 5.570 -17.295 1.00 0.00 C ATOM 393 OD1 ASP A 27 8.117 4.662 -16.599 1.00 0.00 O ATOM 394 OD2 ASP A 27 7.939 6.473 -17.831 1.00 0.00 O ATOM 0 H ASP A 27 10.493 7.917 -16.759 1.00 0.00 H new ATOM 0 HA ASP A 27 10.295 5.609 -15.361 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.371 6.298 -18.280 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.438 4.598 -17.856 1.00 0.00 H new ATOM 399 N TRP A 28 13.238 5.811 -16.780 1.00 0.00 N ATOM 400 CA TRP A 28 14.569 5.215 -16.824 1.00 0.00 C ATOM 401 C TRP A 28 15.183 5.151 -15.430 1.00 0.00 C ATOM 402 O TRP A 28 15.846 4.175 -15.077 1.00 0.00 O ATOM 403 CB TRP A 28 15.478 6.015 -17.759 1.00 0.00 C ATOM 404 CG TRP A 28 16.896 5.531 -17.767 1.00 0.00 C ATOM 405 CD1 TRP A 28 17.376 4.409 -18.381 1.00 0.00 C ATOM 406 CD2 TRP A 28 18.017 6.152 -17.129 1.00 0.00 C ATOM 407 NE1 TRP A 28 18.728 4.296 -18.163 1.00 0.00 N ATOM 408 CE2 TRP A 28 19.145 5.353 -17.399 1.00 0.00 C ATOM 409 CE3 TRP A 28 18.178 7.306 -16.358 1.00 0.00 C ATOM 410 CZ2 TRP A 28 20.414 5.673 -16.923 1.00 0.00 C ATOM 411 CZ3 TRP A 28 19.438 7.622 -15.886 1.00 0.00 C ATOM 412 CH2 TRP A 28 20.543 6.809 -16.171 1.00 0.00 C ATOM 0 H TRP A 28 13.170 6.725 -17.229 1.00 0.00 H new ATOM 0 HA TRP A 28 14.472 4.198 -17.205 1.00 0.00 H new ATOM 0 HB2 TRP A 28 15.079 5.965 -18.772 1.00 0.00 H new ATOM 0 HB3 TRP A 28 15.461 7.063 -17.461 1.00 0.00 H new ATOM 0 HD1 TRP A 28 16.781 3.713 -18.953 1.00 0.00 H new ATOM 0 HE1 TRP A 28 19.324 3.546 -18.513 1.00 0.00 H new ATOM 0 HE3 TRP A 28 17.333 7.940 -16.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 21.267 5.046 -17.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 19.573 8.511 -15.287 1.00 0.00 H new ATOM 0 HH2 TRP A 28 21.515 7.084 -15.790 1.00 0.00 H new ATOM 423 N LEU A 29 14.959 6.196 -14.641 1.00 0.00 N ATOM 424 CA LEU A 29 15.491 6.258 -13.284 1.00 0.00 C ATOM 425 C LEU A 29 14.941 5.120 -12.431 1.00 0.00 C ATOM 426 O LEU A 29 15.696 4.289 -11.924 1.00 0.00 O ATOM 427 CB LEU A 29 15.149 7.604 -12.642 1.00 0.00 C ATOM 428 CG LEU A 29 15.706 8.843 -13.343 1.00 0.00 C ATOM 429 CD1 LEU A 29 15.024 10.101 -12.826 1.00 0.00 C ATOM 430 CD2 LEU A 29 17.213 8.933 -13.151 1.00 0.00 C ATOM 0 H LEU A 29 14.413 7.012 -14.917 1.00 0.00 H new ATOM 0 HA LEU A 29 16.575 6.154 -13.340 1.00 0.00 H new ATOM 0 HB2 LEU A 29 14.064 7.696 -12.594 1.00 0.00 H new ATOM 0 HB3 LEU A 29 15.514 7.597 -11.615 1.00 0.00 H new ATOM 0 HG LEU A 29 15.501 8.756 -14.410 1.00 0.00 H new ATOM 0 HD11 LEU A 29 15.433 10.973 -13.336 1.00 0.00 H new ATOM 0 HD12 LEU A 29 13.953 10.039 -13.017 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.197 10.194 -11.754 1.00 0.00 H new ATOM 0 HD21 LEU A 29 17.592 9.821 -13.657 1.00 0.00 H new ATOM 0 HD22 LEU A 29 17.441 8.996 -12.087 1.00 0.00 H new ATOM 0 HD23 LEU A 29 17.687 8.046 -13.571 1.00 0.00 H new ATOM 442 N LEU A 30 13.622 5.087 -12.277 1.00 0.00 N ATOM 443 CA LEU A 30 12.969 4.049 -11.487 1.00 0.00 C ATOM 444 C LEU A 30 13.331 2.661 -12.007 1.00 0.00 C ATOM 445 O LEU A 30 13.420 1.704 -11.238 1.00 0.00 O ATOM 446 CB LEU A 30 11.452 4.237 -11.515 1.00 0.00 C ATOM 447 CG LEU A 30 10.951 5.676 -11.378 1.00 0.00 C ATOM 448 CD1 LEU A 30 11.870 6.476 -10.467 1.00 0.00 C ATOM 449 CD2 LEU A 30 10.844 6.336 -12.744 1.00 0.00 C ATOM 0 H LEU A 30 12.983 5.767 -12.689 1.00 0.00 H new ATOM 0 HA LEU A 30 13.320 4.135 -10.459 1.00 0.00 H new ATOM 0 HB2 LEU A 30 11.073 3.829 -12.452 1.00 0.00 H new ATOM 0 HB3 LEU A 30 11.018 3.644 -10.710 1.00 0.00 H new ATOM 0 HG LEU A 30 9.958 5.654 -10.929 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.498 7.497 -10.381 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.895 6.015 -9.480 1.00 0.00 H new ATOM 0 HD13 LEU A 30 12.876 6.490 -10.887 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.486 7.359 -12.627 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.824 6.347 -13.221 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.145 5.776 -13.365 1.00 0.00 H new ATOM 461 N GLU A 31 13.539 2.561 -13.316 1.00 0.00 N ATOM 462 CA GLU A 31 13.893 1.290 -13.937 1.00 0.00 C ATOM 463 C GLU A 31 15.171 0.722 -13.326 1.00 0.00 C ATOM 464 O GLU A 31 15.450 -0.470 -13.441 1.00 0.00 O ATOM 465 CB GLU A 31 14.071 1.467 -15.446 1.00 0.00 C ATOM 466 CG GLU A 31 15.045 0.478 -16.064 1.00 0.00 C ATOM 467 CD GLU A 31 14.839 0.311 -17.557 1.00 0.00 C ATOM 468 OE1 GLU A 31 14.934 1.322 -18.285 1.00 0.00 O ATOM 469 OE2 GLU A 31 14.583 -0.829 -17.998 1.00 0.00 O ATOM 0 H GLU A 31 13.469 3.344 -13.966 1.00 0.00 H new ATOM 0 HA GLU A 31 13.080 0.587 -13.754 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.101 1.361 -15.933 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.419 2.480 -15.646 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.065 0.814 -15.877 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.933 -0.490 -15.575 1.00 0.00 H new ATOM 476 N ASN A 32 15.943 1.587 -12.676 1.00 0.00 N ATOM 477 CA ASN A 32 17.192 1.173 -12.047 1.00 0.00 C ATOM 478 C ASN A 32 17.171 1.467 -10.550 1.00 0.00 C ATOM 479 O ASN A 32 18.197 1.380 -9.875 1.00 0.00 O ATOM 480 CB ASN A 32 18.378 1.885 -12.701 1.00 0.00 C ATOM 481 CG ASN A 32 18.543 1.510 -14.162 1.00 0.00 C ATOM 482 OD1 ASN A 32 19.129 0.477 -14.486 1.00 0.00 O ATOM 483 ND2 ASN A 32 18.026 2.350 -15.050 1.00 0.00 N ATOM 0 H ASN A 32 15.726 2.578 -12.571 1.00 0.00 H new ATOM 0 HA ASN A 32 17.301 0.097 -12.187 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.242 2.963 -12.619 1.00 0.00 H new ATOM 0 HB3 ASN A 32 19.291 1.637 -12.160 1.00 0.00 H new ATOM 0 HD21 ASN A 32 18.106 2.151 -16.047 1.00 0.00 H new ATOM 0 HD22 ASN A 32 17.549 3.195 -14.735 1.00 0.00 H new ATOM 490 N ALA A 33 15.996 1.816 -10.038 1.00 0.00 N ATOM 491 CA ALA A 33 15.840 2.121 -8.621 1.00 0.00 C ATOM 492 C ALA A 33 16.465 3.469 -8.277 1.00 0.00 C ATOM 493 O ALA A 33 17.157 3.604 -7.269 1.00 0.00 O ATOM 494 CB ALA A 33 16.458 1.019 -7.773 1.00 0.00 C ATOM 0 H ALA A 33 15.138 1.895 -10.583 1.00 0.00 H new ATOM 0 HA ALA A 33 14.774 2.178 -8.402 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.334 1.260 -6.717 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.963 0.072 -7.990 1.00 0.00 H new ATOM 0 HB3 ALA A 33 17.520 0.934 -8.004 1.00 0.00 H new ATOM 500 N MET A 34 16.216 4.464 -9.122 1.00 0.00 N ATOM 501 CA MET A 34 16.755 5.802 -8.907 1.00 0.00 C ATOM 502 C MET A 34 15.634 6.832 -8.815 1.00 0.00 C ATOM 503 O MET A 34 15.667 7.880 -9.460 1.00 0.00 O ATOM 504 CB MET A 34 17.715 6.176 -10.038 1.00 0.00 C ATOM 505 CG MET A 34 18.815 5.151 -10.266 1.00 0.00 C ATOM 506 SD MET A 34 20.312 5.880 -10.955 1.00 0.00 S ATOM 507 CE MET A 34 19.897 5.924 -12.697 1.00 0.00 C ATOM 0 H MET A 34 15.645 4.369 -9.962 1.00 0.00 H new ATOM 0 HA MET A 34 17.300 5.799 -7.963 1.00 0.00 H new ATOM 0 HB2 MET A 34 17.147 6.298 -10.960 1.00 0.00 H new ATOM 0 HB3 MET A 34 18.170 7.141 -9.813 1.00 0.00 H new ATOM 0 HG2 MET A 34 19.055 4.665 -9.320 1.00 0.00 H new ATOM 0 HG3 MET A 34 18.450 4.376 -10.940 1.00 0.00 H new ATOM 0 HE1 MET A 34 20.706 6.400 -13.252 1.00 0.00 H new ATOM 0 HE2 MET A 34 19.755 4.907 -13.063 1.00 0.00 H new ATOM 0 HE3 MET A 34 18.977 6.492 -12.838 1.00 0.00 H new ATOM 517 N PRO A 35 14.616 6.528 -7.996 1.00 0.00 N ATOM 518 CA PRO A 35 13.465 7.415 -7.801 1.00 0.00 C ATOM 519 C PRO A 35 13.832 8.682 -7.036 1.00 0.00 C ATOM 520 O PRO A 35 13.010 9.585 -6.883 1.00 0.00 O ATOM 521 CB PRO A 35 12.492 6.560 -6.985 1.00 0.00 C ATOM 522 CG PRO A 35 13.357 5.578 -6.273 1.00 0.00 C ATOM 523 CD PRO A 35 14.511 5.296 -7.196 1.00 0.00 C ATOM 0 HA PRO A 35 13.055 7.765 -8.749 1.00 0.00 H new ATOM 0 HB2 PRO A 35 11.923 7.169 -6.282 1.00 0.00 H new ATOM 0 HB3 PRO A 35 11.770 6.058 -7.629 1.00 0.00 H new ATOM 0 HG2 PRO A 35 13.707 5.983 -5.323 1.00 0.00 H new ATOM 0 HG3 PRO A 35 12.806 4.665 -6.047 1.00 0.00 H new ATOM 0 HD2 PRO A 35 15.429 5.097 -6.643 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.321 4.425 -7.823 1.00 0.00 H new ATOM 531 N GLU A 36 15.071 8.741 -6.558 1.00 0.00 N ATOM 532 CA GLU A 36 15.545 9.897 -5.807 1.00 0.00 C ATOM 533 C GLU A 36 15.969 11.021 -6.749 1.00 0.00 C ATOM 534 O GLU A 36 15.973 12.193 -6.372 1.00 0.00 O ATOM 535 CB GLU A 36 16.717 9.503 -4.906 1.00 0.00 C ATOM 536 CG GLU A 36 17.689 8.535 -5.559 1.00 0.00 C ATOM 537 CD GLU A 36 17.305 7.085 -5.339 1.00 0.00 C ATOM 538 OE1 GLU A 36 16.132 6.826 -4.998 1.00 0.00 O ATOM 539 OE2 GLU A 36 18.179 6.208 -5.508 1.00 0.00 O ATOM 0 H GLU A 36 15.764 8.002 -6.678 1.00 0.00 H new ATOM 0 HA GLU A 36 14.724 10.256 -5.186 1.00 0.00 H new ATOM 0 HB2 GLU A 36 17.257 10.403 -4.612 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.327 9.053 -3.993 1.00 0.00 H new ATOM 0 HG2 GLU A 36 17.733 8.737 -6.629 1.00 0.00 H new ATOM 0 HG3 GLU A 36 18.689 8.706 -5.161 1.00 0.00 H new ATOM 546 N TYR A 37 16.327 10.654 -7.974 1.00 0.00 N ATOM 547 CA TYR A 37 16.756 11.629 -8.969 1.00 0.00 C ATOM 548 C TYR A 37 15.587 12.060 -9.849 1.00 0.00 C ATOM 549 O TYR A 37 15.693 13.018 -10.617 1.00 0.00 O ATOM 550 CB TYR A 37 17.874 11.046 -9.836 1.00 0.00 C ATOM 551 CG TYR A 37 19.185 10.880 -9.102 1.00 0.00 C ATOM 552 CD1 TYR A 37 19.916 11.985 -8.685 1.00 0.00 C ATOM 553 CD2 TYR A 37 19.693 9.616 -8.825 1.00 0.00 C ATOM 554 CE1 TYR A 37 21.115 11.838 -8.015 1.00 0.00 C ATOM 555 CE2 TYR A 37 20.890 9.459 -8.154 1.00 0.00 C ATOM 556 CZ TYR A 37 21.598 10.573 -7.752 1.00 0.00 C ATOM 557 OH TYR A 37 22.791 10.421 -7.083 1.00 0.00 O ATOM 0 H TYR A 37 16.329 9.688 -8.302 1.00 0.00 H new ATOM 0 HA TYR A 37 17.133 12.506 -8.442 1.00 0.00 H new ATOM 0 HB2 TYR A 37 17.557 10.076 -10.220 1.00 0.00 H new ATOM 0 HB3 TYR A 37 18.029 11.695 -10.698 1.00 0.00 H new ATOM 0 HD1 TYR A 37 19.540 12.977 -8.888 1.00 0.00 H new ATOM 0 HD2 TYR A 37 19.142 8.742 -9.140 1.00 0.00 H new ATOM 0 HE1 TYR A 37 21.671 12.708 -7.699 1.00 0.00 H new ATOM 0 HE2 TYR A 37 21.270 8.470 -7.945 1.00 0.00 H new ATOM 0 HH TYR A 37 22.924 11.178 -6.475 1.00 0.00 H new ATOM 567 N CYS A 38 14.473 11.347 -9.732 1.00 0.00 N ATOM 568 CA CYS A 38 13.282 11.655 -10.516 1.00 0.00 C ATOM 569 C CYS A 38 12.799 13.075 -10.238 1.00 0.00 C ATOM 570 O CYS A 38 12.406 13.797 -11.153 1.00 0.00 O ATOM 571 CB CYS A 38 12.168 10.654 -10.205 1.00 0.00 C ATOM 572 SG CYS A 38 11.031 10.363 -11.580 1.00 0.00 S ATOM 0 H CYS A 38 14.369 10.552 -9.102 1.00 0.00 H new ATOM 0 HA CYS A 38 13.543 11.580 -11.572 1.00 0.00 H new ATOM 0 HB2 CYS A 38 12.618 9.705 -9.913 1.00 0.00 H new ATOM 0 HB3 CYS A 38 11.599 11.014 -9.348 1.00 0.00 H new ATOM 0 HG CYS A 38 10.127 9.501 -11.220 1.00 0.00 H new ATOM 578 N GLU A 39 12.830 13.467 -8.968 1.00 0.00 N ATOM 579 CA GLU A 39 12.394 14.800 -8.570 1.00 0.00 C ATOM 580 C GLU A 39 13.157 15.874 -9.340 1.00 0.00 C ATOM 581 O GLU A 39 12.577 16.692 -10.054 1.00 0.00 O ATOM 582 CB GLU A 39 12.592 14.997 -7.066 1.00 0.00 C ATOM 583 CG GLU A 39 11.356 14.677 -6.242 1.00 0.00 C ATOM 584 CD GLU A 39 10.086 15.237 -6.853 1.00 0.00 C ATOM 585 OE1 GLU A 39 9.828 16.446 -6.679 1.00 0.00 O ATOM 586 OE2 GLU A 39 9.352 14.466 -7.505 1.00 0.00 O ATOM 0 H GLU A 39 13.152 12.881 -8.198 1.00 0.00 H new ATOM 0 HA GLU A 39 11.334 14.893 -8.805 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.415 14.366 -6.731 1.00 0.00 H new ATOM 0 HB3 GLU A 39 12.886 16.030 -6.879 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.261 13.596 -6.142 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.480 15.080 -5.237 1.00 0.00 H new ATOM 593 N PRO A 40 14.490 15.874 -9.191 1.00 0.00 N ATOM 594 CA PRO A 40 15.362 16.841 -9.864 1.00 0.00 C ATOM 595 C PRO A 40 15.432 16.610 -11.370 1.00 0.00 C ATOM 596 O PRO A 40 15.788 17.510 -12.131 1.00 0.00 O ATOM 597 CB PRO A 40 16.729 16.594 -9.221 1.00 0.00 C ATOM 598 CG PRO A 40 16.677 15.181 -8.753 1.00 0.00 C ATOM 599 CD PRO A 40 15.249 14.928 -8.355 1.00 0.00 C ATOM 0 HA PRO A 40 15.000 17.863 -9.750 1.00 0.00 H new ATOM 0 HB2 PRO A 40 17.537 16.744 -9.937 1.00 0.00 H new ATOM 0 HB3 PRO A 40 16.906 17.279 -8.392 1.00 0.00 H new ATOM 0 HG2 PRO A 40 16.989 14.497 -9.542 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.350 15.024 -7.910 1.00 0.00 H new ATOM 0 HD2 PRO A 40 14.955 13.896 -8.547 1.00 0.00 H new ATOM 0 HD3 PRO A 40 15.089 15.112 -7.293 1.00 0.00 H new ATOM 607 N LEU A 41 15.089 15.399 -11.794 1.00 0.00 N ATOM 608 CA LEU A 41 15.113 15.049 -13.210 1.00 0.00 C ATOM 609 C LEU A 41 13.699 14.982 -13.778 1.00 0.00 C ATOM 610 O LEU A 41 13.488 14.488 -14.886 1.00 0.00 O ATOM 611 CB LEU A 41 15.820 13.707 -13.412 1.00 0.00 C ATOM 612 CG LEU A 41 17.274 13.638 -12.944 1.00 0.00 C ATOM 613 CD1 LEU A 41 17.786 12.207 -13.002 1.00 0.00 C ATOM 614 CD2 LEU A 41 18.149 14.554 -13.787 1.00 0.00 C ATOM 0 H LEU A 41 14.791 14.643 -11.178 1.00 0.00 H new ATOM 0 HA LEU A 41 15.662 15.826 -13.742 1.00 0.00 H new ATOM 0 HB2 LEU A 41 15.253 12.938 -12.887 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.788 13.458 -14.473 1.00 0.00 H new ATOM 0 HG LEU A 41 17.319 13.977 -11.909 1.00 0.00 H new ATOM 0 HD11 LEU A 41 18.822 12.177 -12.665 1.00 0.00 H new ATOM 0 HD12 LEU A 41 17.176 11.576 -12.355 1.00 0.00 H new ATOM 0 HD13 LEU A 41 17.727 11.841 -14.027 1.00 0.00 H new ATOM 0 HD21 LEU A 41 19.180 14.492 -13.440 1.00 0.00 H new ATOM 0 HD22 LEU A 41 18.098 14.246 -14.831 1.00 0.00 H new ATOM 0 HD23 LEU A 41 17.796 15.581 -13.694 1.00 0.00 H new ATOM 626 N GLU A 42 12.734 15.483 -13.013 1.00 0.00 N ATOM 627 CA GLU A 42 11.341 15.481 -13.442 1.00 0.00 C ATOM 628 C GLU A 42 11.173 16.250 -14.749 1.00 0.00 C ATOM 629 O GLU A 42 10.478 15.801 -15.662 1.00 0.00 O ATOM 630 CB GLU A 42 10.450 16.094 -12.359 1.00 0.00 C ATOM 631 CG GLU A 42 10.742 17.560 -12.088 1.00 0.00 C ATOM 632 CD GLU A 42 10.078 18.062 -10.821 1.00 0.00 C ATOM 633 OE1 GLU A 42 9.455 17.244 -10.112 1.00 0.00 O ATOM 634 OE2 GLU A 42 10.181 19.274 -10.538 1.00 0.00 O ATOM 0 H GLU A 42 12.892 15.895 -12.093 1.00 0.00 H new ATOM 0 HA GLU A 42 11.040 14.447 -13.608 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.407 15.989 -12.657 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.576 15.530 -11.435 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.820 17.704 -12.010 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.401 18.157 -12.934 1.00 0.00 H new ATOM 641 N HIS A 43 11.813 17.412 -14.833 1.00 0.00 N ATOM 642 CA HIS A 43 11.735 18.244 -16.028 1.00 0.00 C ATOM 643 C HIS A 43 13.030 18.163 -16.832 1.00 0.00 C ATOM 644 O HIS A 43 13.378 19.091 -17.562 1.00 0.00 O ATOM 645 CB HIS A 43 11.448 19.696 -15.646 1.00 0.00 C ATOM 646 CG HIS A 43 12.493 20.300 -14.758 1.00 0.00 C ATOM 647 ND1 HIS A 43 12.705 20.173 -13.427 1.00 0.00 N flip ATOM 648 CD2 HIS A 43 13.475 21.150 -15.222 1.00 0.00 C flip ATOM 649 CE1 HIS A 43 13.800 20.940 -13.114 1.00 0.00 C flip ATOM 650 NE2 HIS A 43 14.246 21.519 -14.215 1.00 0.00 N flip ATOM 0 H HIS A 43 12.392 17.799 -14.087 1.00 0.00 H new ATOM 0 HA HIS A 43 10.919 17.871 -16.648 1.00 0.00 H new ATOM 0 HB2 HIS A 43 11.366 20.293 -16.555 1.00 0.00 H new ATOM 0 HB3 HIS A 43 10.482 19.747 -15.143 1.00 0.00 H new ATOM 0 HD2 HIS A 43 13.595 21.465 -16.248 1.00 0.00 H new ATOM 0 HE1 HIS A 43 14.227 21.052 -12.128 1.00 0.00 H new ATOM 0 HE2 HIS A 43 15.049 22.145 -14.277 1.00 0.00 H new ATOM 658 N PHE A 44 13.739 17.048 -16.691 1.00 0.00 N ATOM 659 CA PHE A 44 14.996 16.847 -17.402 1.00 0.00 C ATOM 660 C PHE A 44 14.780 16.021 -18.667 1.00 0.00 C ATOM 661 O PHE A 44 13.937 15.124 -18.701 1.00 0.00 O ATOM 662 CB PHE A 44 16.014 16.153 -16.495 1.00 0.00 C ATOM 663 CG PHE A 44 16.873 17.109 -15.718 1.00 0.00 C ATOM 664 CD1 PHE A 44 16.301 18.129 -14.975 1.00 0.00 C ATOM 665 CD2 PHE A 44 18.254 16.988 -15.730 1.00 0.00 C ATOM 666 CE1 PHE A 44 17.089 19.010 -14.259 1.00 0.00 C ATOM 667 CE2 PHE A 44 19.047 17.866 -15.016 1.00 0.00 C ATOM 668 CZ PHE A 44 18.464 18.878 -14.278 1.00 0.00 C ATOM 0 H PHE A 44 13.465 16.270 -16.091 1.00 0.00 H new ATOM 0 HA PHE A 44 15.382 17.825 -17.689 1.00 0.00 H new ATOM 0 HB2 PHE A 44 15.484 15.504 -15.798 1.00 0.00 H new ATOM 0 HB3 PHE A 44 16.654 15.513 -17.103 1.00 0.00 H new ATOM 0 HD1 PHE A 44 15.227 18.237 -14.955 1.00 0.00 H new ATOM 0 HD2 PHE A 44 18.716 16.198 -16.304 1.00 0.00 H new ATOM 0 HE1 PHE A 44 16.630 19.801 -13.685 1.00 0.00 H new ATOM 0 HE2 PHE A 44 20.122 17.761 -15.035 1.00 0.00 H new ATOM 0 HZ PHE A 44 19.082 19.564 -13.717 1.00 0.00 H new ATOM 678 N THR A 45 15.547 16.332 -19.708 1.00 0.00 N ATOM 679 CA THR A 45 15.438 15.622 -20.976 1.00 0.00 C ATOM 680 C THR A 45 16.663 14.748 -21.224 1.00 0.00 C ATOM 681 O THR A 45 17.776 15.099 -20.836 1.00 0.00 O ATOM 682 CB THR A 45 15.272 16.599 -22.155 1.00 0.00 C ATOM 683 OG1 THR A 45 16.191 17.690 -22.020 1.00 0.00 O ATOM 684 CG2 THR A 45 13.849 17.134 -22.219 1.00 0.00 C ATOM 0 H THR A 45 16.250 17.071 -19.697 1.00 0.00 H new ATOM 0 HA THR A 45 14.552 14.991 -20.909 1.00 0.00 H new ATOM 0 HB THR A 45 15.482 16.059 -23.078 1.00 0.00 H new ATOM 0 HG1 THR A 45 16.081 18.306 -22.774 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.756 17.822 -23.060 1.00 0.00 H new ATOM 0 HG22 THR A 45 13.154 16.305 -22.350 1.00 0.00 H new ATOM 0 HG23 THR A 45 13.616 17.659 -21.293 1.00 0.00 H new ATOM 692 N GLY A 46 16.449 13.608 -21.873 1.00 0.00 N ATOM 693 CA GLY A 46 17.545 12.701 -22.160 1.00 0.00 C ATOM 694 C GLY A 46 18.852 13.430 -22.403 1.00 0.00 C ATOM 695 O GLY A 46 19.910 12.984 -21.961 1.00 0.00 O ATOM 0 H GLY A 46 15.536 13.296 -22.205 1.00 0.00 H new ATOM 0 HA2 GLY A 46 17.668 12.009 -21.327 1.00 0.00 H new ATOM 0 HA3 GLY A 46 17.298 12.103 -23.037 1.00 0.00 H new ATOM 699 N GLN A 47 18.778 14.554 -23.109 1.00 0.00 N ATOM 700 CA GLN A 47 19.966 15.344 -23.412 1.00 0.00 C ATOM 701 C GLN A 47 20.546 15.963 -22.144 1.00 0.00 C ATOM 702 O GLN A 47 21.741 15.841 -21.873 1.00 0.00 O ATOM 703 CB GLN A 47 19.629 16.443 -24.422 1.00 0.00 C ATOM 704 CG GLN A 47 20.840 17.238 -24.882 1.00 0.00 C ATOM 705 CD GLN A 47 21.572 16.573 -26.031 1.00 0.00 C ATOM 706 OE1 GLN A 47 21.107 16.587 -27.171 1.00 0.00 O ATOM 707 NE2 GLN A 47 22.726 15.985 -25.737 1.00 0.00 N ATOM 0 H GLN A 47 17.909 14.938 -23.481 1.00 0.00 H new ATOM 0 HA GLN A 47 20.713 14.679 -23.845 1.00 0.00 H new ATOM 0 HB2 GLN A 47 19.149 15.992 -25.291 1.00 0.00 H new ATOM 0 HB3 GLN A 47 18.905 17.125 -23.976 1.00 0.00 H new ATOM 0 HG2 GLN A 47 20.521 18.235 -25.187 1.00 0.00 H new ATOM 0 HG3 GLN A 47 21.526 17.366 -24.044 1.00 0.00 H new ATOM 0 HE21 GLN A 47 23.075 15.997 -24.779 1.00 0.00 H new ATOM 0 HE22 GLN A 47 23.263 15.521 -26.470 1.00 0.00 H new ATOM 716 N ASP A 48 19.693 16.626 -21.372 1.00 0.00 N ATOM 717 CA ASP A 48 20.120 17.263 -20.132 1.00 0.00 C ATOM 718 C ASP A 48 20.596 16.223 -19.123 1.00 0.00 C ATOM 719 O ASP A 48 21.560 16.448 -18.390 1.00 0.00 O ATOM 720 CB ASP A 48 18.977 18.085 -19.535 1.00 0.00 C ATOM 721 CG ASP A 48 18.742 19.381 -20.286 1.00 0.00 C ATOM 722 OD1 ASP A 48 18.418 19.318 -21.490 1.00 0.00 O ATOM 723 OD2 ASP A 48 18.884 20.459 -19.671 1.00 0.00 O ATOM 0 H ASP A 48 18.701 16.737 -21.583 1.00 0.00 H new ATOM 0 HA ASP A 48 20.953 17.928 -20.362 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.063 17.492 -19.545 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.200 18.308 -18.492 1.00 0.00 H new ATOM 728 N LEU A 49 19.913 15.084 -19.089 1.00 0.00 N ATOM 729 CA LEU A 49 20.264 14.007 -18.169 1.00 0.00 C ATOM 730 C LEU A 49 21.686 13.517 -18.423 1.00 0.00 C ATOM 731 O LEU A 49 22.481 13.380 -17.493 1.00 0.00 O ATOM 732 CB LEU A 49 19.279 12.846 -18.311 1.00 0.00 C ATOM 733 CG LEU A 49 19.763 11.489 -17.800 1.00 0.00 C ATOM 734 CD1 LEU A 49 18.599 10.679 -17.251 1.00 0.00 C ATOM 735 CD2 LEU A 49 20.473 10.723 -18.907 1.00 0.00 C ATOM 0 H LEU A 49 19.113 14.882 -19.688 1.00 0.00 H new ATOM 0 HA LEU A 49 20.210 14.398 -17.153 1.00 0.00 H new ATOM 0 HB2 LEU A 49 18.363 13.106 -17.780 1.00 0.00 H new ATOM 0 HB3 LEU A 49 19.019 12.743 -19.365 1.00 0.00 H new ATOM 0 HG LEU A 49 20.474 11.660 -16.991 1.00 0.00 H new ATOM 0 HD11 LEU A 49 18.963 9.716 -16.892 1.00 0.00 H new ATOM 0 HD12 LEU A 49 18.135 11.221 -16.427 1.00 0.00 H new ATOM 0 HD13 LEU A 49 17.864 10.518 -18.040 1.00 0.00 H new ATOM 0 HD21 LEU A 49 20.810 9.760 -18.524 1.00 0.00 H new ATOM 0 HD22 LEU A 49 19.785 10.563 -19.737 1.00 0.00 H new ATOM 0 HD23 LEU A 49 21.333 11.297 -19.253 1.00 0.00 H new ATOM 747 N ILE A 50 21.999 13.257 -19.688 1.00 0.00 N ATOM 748 CA ILE A 50 23.327 12.786 -20.065 1.00 0.00 C ATOM 749 C ILE A 50 24.375 13.875 -19.859 1.00 0.00 C ATOM 750 O ILE A 50 25.570 13.594 -19.792 1.00 0.00 O ATOM 751 CB ILE A 50 23.364 12.324 -21.533 1.00 0.00 C ATOM 752 CG1 ILE A 50 23.189 13.519 -22.472 1.00 0.00 C ATOM 753 CG2 ILE A 50 22.286 11.281 -21.788 1.00 0.00 C ATOM 754 CD1 ILE A 50 23.909 13.361 -23.793 1.00 0.00 C ATOM 0 H ILE A 50 21.352 13.364 -20.469 1.00 0.00 H new ATOM 0 HA ILE A 50 23.557 11.938 -19.420 1.00 0.00 H new ATOM 0 HB ILE A 50 24.335 11.870 -21.730 1.00 0.00 H new ATOM 0 HG12 ILE A 50 22.126 13.668 -22.662 1.00 0.00 H new ATOM 0 HG13 ILE A 50 23.553 14.418 -21.974 1.00 0.00 H new ATOM 0 HG21 ILE A 50 22.325 10.965 -22.830 1.00 0.00 H new ATOM 0 HG22 ILE A 50 22.453 10.420 -21.141 1.00 0.00 H new ATOM 0 HG23 ILE A 50 21.307 11.710 -21.576 1.00 0.00 H new ATOM 0 HD11 ILE A 50 23.741 14.246 -24.407 1.00 0.00 H new ATOM 0 HD12 ILE A 50 24.977 13.242 -23.613 1.00 0.00 H new ATOM 0 HD13 ILE A 50 23.529 12.481 -24.312 1.00 0.00 H new ATOM 766 N ASN A 51 23.916 15.118 -19.759 1.00 0.00 N ATOM 767 CA ASN A 51 24.814 16.250 -19.560 1.00 0.00 C ATOM 768 C ASN A 51 25.127 16.444 -18.080 1.00 0.00 C ATOM 769 O ASN A 51 25.690 17.464 -17.681 1.00 0.00 O ATOM 770 CB ASN A 51 24.195 17.526 -20.134 1.00 0.00 C ATOM 771 CG ASN A 51 24.469 17.686 -21.616 1.00 0.00 C ATOM 772 OD1 ASN A 51 25.406 17.095 -22.153 1.00 0.00 O ATOM 773 ND2 ASN A 51 23.651 18.490 -22.286 1.00 0.00 N ATOM 0 H ASN A 51 22.928 15.367 -19.812 1.00 0.00 H new ATOM 0 HA ASN A 51 25.746 16.038 -20.085 1.00 0.00 H new ATOM 0 HB2 ASN A 51 23.118 17.511 -19.966 1.00 0.00 H new ATOM 0 HB3 ASN A 51 24.589 18.390 -19.599 1.00 0.00 H new ATOM 0 HD21 ASN A 51 23.787 18.637 -23.286 1.00 0.00 H new ATOM 0 HD22 ASN A 51 22.887 18.960 -21.800 1.00 0.00 H new ATOM 780 N LEU A 52 24.758 15.458 -17.269 1.00 0.00 N ATOM 781 CA LEU A 52 24.999 15.519 -15.832 1.00 0.00 C ATOM 782 C LEU A 52 26.428 15.101 -15.501 1.00 0.00 C ATOM 783 O LEU A 52 26.953 14.140 -16.065 1.00 0.00 O ATOM 784 CB LEU A 52 24.009 14.619 -15.090 1.00 0.00 C ATOM 785 CG LEU A 52 22.559 15.103 -15.054 1.00 0.00 C ATOM 786 CD1 LEU A 52 21.709 14.180 -14.195 1.00 0.00 C ATOM 787 CD2 LEU A 52 22.487 16.533 -14.537 1.00 0.00 C ATOM 0 H LEU A 52 24.291 14.607 -17.582 1.00 0.00 H new ATOM 0 HA LEU A 52 24.857 16.550 -15.509 1.00 0.00 H new ATOM 0 HB2 LEU A 52 24.030 13.632 -15.551 1.00 0.00 H new ATOM 0 HB3 LEU A 52 24.357 14.499 -14.064 1.00 0.00 H new ATOM 0 HG LEU A 52 22.165 15.085 -16.070 1.00 0.00 H new ATOM 0 HD11 LEU A 52 20.680 14.540 -14.181 1.00 0.00 H new ATOM 0 HD12 LEU A 52 21.735 13.172 -14.609 1.00 0.00 H new ATOM 0 HD13 LEU A 52 22.102 14.165 -13.178 1.00 0.00 H new ATOM 0 HD21 LEU A 52 21.448 16.861 -14.518 1.00 0.00 H new ATOM 0 HD22 LEU A 52 22.900 16.577 -13.529 1.00 0.00 H new ATOM 0 HD23 LEU A 52 23.062 17.186 -15.193 1.00 0.00 H new ATOM 799 N THR A 53 27.055 15.829 -14.582 1.00 0.00 N ATOM 800 CA THR A 53 28.422 15.534 -14.174 1.00 0.00 C ATOM 801 C THR A 53 28.571 15.600 -12.659 1.00 0.00 C ATOM 802 O THR A 53 27.704 16.129 -11.964 1.00 0.00 O ATOM 803 CB THR A 53 29.424 16.509 -14.820 1.00 0.00 C ATOM 804 OG1 THR A 53 28.999 17.860 -14.608 1.00 0.00 O ATOM 805 CG2 THR A 53 29.555 16.241 -16.312 1.00 0.00 C ATOM 0 H THR A 53 26.637 16.628 -14.106 1.00 0.00 H new ATOM 0 HA THR A 53 28.641 14.522 -14.514 1.00 0.00 H new ATOM 0 HB THR A 53 30.397 16.357 -14.353 1.00 0.00 H new ATOM 0 HG1 THR A 53 29.634 18.473 -15.034 1.00 0.00 H new ATOM 0 HG21 THR A 53 30.268 16.942 -16.746 1.00 0.00 H new ATOM 0 HG22 THR A 53 29.907 15.221 -16.469 1.00 0.00 H new ATOM 0 HG23 THR A 53 28.584 16.368 -16.791 1.00 0.00 H new ATOM 813 N GLN A 54 29.676 15.062 -12.153 1.00 0.00 N ATOM 814 CA GLN A 54 29.937 15.061 -10.718 1.00 0.00 C ATOM 815 C GLN A 54 29.886 16.477 -10.155 1.00 0.00 C ATOM 816 O GLN A 54 29.518 16.681 -8.998 1.00 0.00 O ATOM 817 CB GLN A 54 31.301 14.432 -10.427 1.00 0.00 C ATOM 818 CG GLN A 54 31.551 14.178 -8.949 1.00 0.00 C ATOM 819 CD GLN A 54 33.027 14.128 -8.607 1.00 0.00 C ATOM 820 OE1 GLN A 54 33.741 15.121 -8.742 1.00 0.00 O ATOM 821 NE2 GLN A 54 33.492 12.967 -8.162 1.00 0.00 N ATOM 0 H GLN A 54 30.405 14.621 -12.715 1.00 0.00 H new ATOM 0 HA GLN A 54 29.161 14.469 -10.233 1.00 0.00 H new ATOM 0 HB2 GLN A 54 31.380 13.489 -10.968 1.00 0.00 H new ATOM 0 HB3 GLN A 54 32.083 15.086 -10.812 1.00 0.00 H new ATOM 0 HG2 GLN A 54 31.073 14.963 -8.363 1.00 0.00 H new ATOM 0 HG3 GLN A 54 31.083 13.236 -8.662 1.00 0.00 H new ATOM 0 HE21 GLN A 54 32.864 12.169 -8.066 1.00 0.00 H new ATOM 0 HE22 GLN A 54 34.478 12.873 -7.916 1.00 0.00 H new ATOM 830 N GLU A 55 30.258 17.451 -10.980 1.00 0.00 N ATOM 831 CA GLU A 55 30.254 18.848 -10.562 1.00 0.00 C ATOM 832 C GLU A 55 28.827 19.365 -10.408 1.00 0.00 C ATOM 833 O GLU A 55 28.583 20.341 -9.698 1.00 0.00 O ATOM 834 CB GLU A 55 31.014 19.708 -11.574 1.00 0.00 C ATOM 835 CG GLU A 55 30.131 20.280 -12.670 1.00 0.00 C ATOM 836 CD GLU A 55 30.916 21.070 -13.699 1.00 0.00 C ATOM 837 OE1 GLU A 55 31.985 20.587 -14.128 1.00 0.00 O ATOM 838 OE2 GLU A 55 30.462 22.170 -14.077 1.00 0.00 O ATOM 0 H GLU A 55 30.566 17.299 -11.940 1.00 0.00 H new ATOM 0 HA GLU A 55 30.752 18.913 -9.595 1.00 0.00 H new ATOM 0 HB2 GLU A 55 31.502 20.528 -11.047 1.00 0.00 H new ATOM 0 HB3 GLU A 55 31.802 19.108 -12.030 1.00 0.00 H new ATOM 0 HG2 GLU A 55 29.603 19.467 -13.168 1.00 0.00 H new ATOM 0 HG3 GLU A 55 29.374 20.925 -12.223 1.00 0.00 H new ATOM 845 N ASP A 56 27.889 18.705 -11.077 1.00 0.00 N ATOM 846 CA ASP A 56 26.486 19.097 -11.015 1.00 0.00 C ATOM 847 C ASP A 56 25.863 18.676 -9.688 1.00 0.00 C ATOM 848 O ASP A 56 24.872 19.256 -9.243 1.00 0.00 O ATOM 849 CB ASP A 56 25.709 18.477 -12.177 1.00 0.00 C ATOM 850 CG ASP A 56 26.037 19.128 -13.506 1.00 0.00 C ATOM 851 OD1 ASP A 56 26.652 20.215 -13.499 1.00 0.00 O ATOM 852 OD2 ASP A 56 25.681 18.550 -14.554 1.00 0.00 O ATOM 0 H ASP A 56 28.075 17.895 -11.669 1.00 0.00 H new ATOM 0 HA ASP A 56 26.434 20.183 -11.092 1.00 0.00 H new ATOM 0 HB2 ASP A 56 25.933 17.412 -12.233 1.00 0.00 H new ATOM 0 HB3 ASP A 56 24.640 18.568 -11.985 1.00 0.00 H new ATOM 857 N PHE A 57 26.449 17.662 -9.060 1.00 0.00 N ATOM 858 CA PHE A 57 25.951 17.162 -7.783 1.00 0.00 C ATOM 859 C PHE A 57 26.318 18.112 -6.647 1.00 0.00 C ATOM 860 O PHE A 57 25.661 18.136 -5.606 1.00 0.00 O ATOM 861 CB PHE A 57 26.516 15.769 -7.502 1.00 0.00 C ATOM 862 CG PHE A 57 25.909 14.692 -8.355 1.00 0.00 C ATOM 863 CD1 PHE A 57 26.361 14.477 -9.647 1.00 0.00 C ATOM 864 CD2 PHE A 57 24.887 13.895 -7.866 1.00 0.00 C ATOM 865 CE1 PHE A 57 25.804 13.487 -10.435 1.00 0.00 C ATOM 866 CE2 PHE A 57 24.326 12.904 -8.649 1.00 0.00 C ATOM 867 CZ PHE A 57 24.786 12.699 -9.935 1.00 0.00 C ATOM 0 H PHE A 57 27.269 17.170 -9.414 1.00 0.00 H new ATOM 0 HA PHE A 57 24.864 17.100 -7.844 1.00 0.00 H new ATOM 0 HB2 PHE A 57 27.594 15.784 -7.662 1.00 0.00 H new ATOM 0 HB3 PHE A 57 26.353 15.525 -6.452 1.00 0.00 H new ATOM 0 HD1 PHE A 57 27.157 15.090 -10.043 1.00 0.00 H new ATOM 0 HD2 PHE A 57 24.524 14.050 -6.861 1.00 0.00 H new ATOM 0 HE1 PHE A 57 26.165 13.330 -11.441 1.00 0.00 H new ATOM 0 HE2 PHE A 57 23.529 12.291 -8.256 1.00 0.00 H new ATOM 0 HZ PHE A 57 24.351 11.924 -10.548 1.00 0.00 H new ATOM 877 N LYS A 58 27.373 18.892 -6.854 1.00 0.00 N ATOM 878 CA LYS A 58 27.829 19.845 -5.848 1.00 0.00 C ATOM 879 C LYS A 58 26.745 20.873 -5.541 1.00 0.00 C ATOM 880 O LYS A 58 26.618 21.337 -4.408 1.00 0.00 O ATOM 881 CB LYS A 58 29.098 20.554 -6.327 1.00 0.00 C ATOM 882 CG LYS A 58 30.062 19.642 -7.067 1.00 0.00 C ATOM 883 CD LYS A 58 31.402 20.319 -7.300 1.00 0.00 C ATOM 884 CE LYS A 58 32.370 20.046 -6.159 1.00 0.00 C ATOM 885 NZ LYS A 58 32.269 21.076 -5.088 1.00 0.00 N ATOM 0 H LYS A 58 27.929 18.883 -7.709 1.00 0.00 H new ATOM 0 HA LYS A 58 28.050 19.293 -4.934 1.00 0.00 H new ATOM 0 HB2 LYS A 58 28.818 21.380 -6.981 1.00 0.00 H new ATOM 0 HB3 LYS A 58 29.609 20.987 -5.467 1.00 0.00 H new ATOM 0 HG2 LYS A 58 30.211 18.727 -6.494 1.00 0.00 H new ATOM 0 HG3 LYS A 58 29.628 19.352 -8.024 1.00 0.00 H new ATOM 0 HD2 LYS A 58 31.832 19.964 -8.236 1.00 0.00 H new ATOM 0 HD3 LYS A 58 31.255 21.394 -7.404 1.00 0.00 H new ATOM 0 HE2 LYS A 58 32.166 19.062 -5.737 1.00 0.00 H new ATOM 0 HE3 LYS A 58 33.389 20.022 -6.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 33.219 21.296 -4.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 31.838 21.939 -5.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 31.679 20.713 -4.312 1.00 0.00 H new ATOM 899 N LYS A 59 25.965 21.225 -6.558 1.00 0.00 N ATOM 900 CA LYS A 59 24.889 22.196 -6.397 1.00 0.00 C ATOM 901 C LYS A 59 23.538 21.571 -6.728 1.00 0.00 C ATOM 902 O LYS A 59 23.452 20.520 -7.365 1.00 0.00 O ATOM 903 CB LYS A 59 25.134 23.412 -7.293 1.00 0.00 C ATOM 904 CG LYS A 59 25.978 23.104 -8.518 1.00 0.00 C ATOM 905 CD LYS A 59 25.890 24.217 -9.549 1.00 0.00 C ATOM 906 CE LYS A 59 26.261 23.720 -10.938 1.00 0.00 C ATOM 907 NZ LYS A 59 26.526 24.845 -11.877 1.00 0.00 N ATOM 0 H LYS A 59 26.058 20.852 -7.503 1.00 0.00 H new ATOM 0 HA LYS A 59 24.875 22.517 -5.355 1.00 0.00 H new ATOM 0 HB2 LYS A 59 24.174 23.815 -7.615 1.00 0.00 H new ATOM 0 HB3 LYS A 59 25.626 24.190 -6.709 1.00 0.00 H new ATOM 0 HG2 LYS A 59 27.017 22.964 -8.220 1.00 0.00 H new ATOM 0 HG3 LYS A 59 25.646 22.166 -8.964 1.00 0.00 H new ATOM 0 HD2 LYS A 59 24.878 24.621 -9.564 1.00 0.00 H new ATOM 0 HD3 LYS A 59 26.555 25.032 -9.263 1.00 0.00 H new ATOM 0 HE2 LYS A 59 27.145 23.086 -10.873 1.00 0.00 H new ATOM 0 HE3 LYS A 59 25.453 23.102 -11.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 26.775 24.465 -12.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 25.674 25.436 -11.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 27.313 25.420 -11.516 1.00 0.00 H new ATOM 921 N PRO A 60 22.456 22.230 -6.287 1.00 0.00 N ATOM 922 CA PRO A 60 21.089 21.758 -6.527 1.00 0.00 C ATOM 923 C PRO A 60 20.684 21.874 -7.992 1.00 0.00 C ATOM 924 O PRO A 60 21.361 22.512 -8.799 1.00 0.00 O ATOM 925 CB PRO A 60 20.235 22.688 -5.661 1.00 0.00 C ATOM 926 CG PRO A 60 21.047 23.930 -5.526 1.00 0.00 C ATOM 927 CD PRO A 60 22.484 23.488 -5.521 1.00 0.00 C ATOM 0 HA PRO A 60 20.974 20.702 -6.284 1.00 0.00 H new ATOM 0 HB2 PRO A 60 19.273 22.893 -6.130 1.00 0.00 H new ATOM 0 HB3 PRO A 60 20.027 22.243 -4.688 1.00 0.00 H new ATOM 0 HG2 PRO A 60 20.852 24.615 -6.351 1.00 0.00 H new ATOM 0 HG3 PRO A 60 20.799 24.460 -4.607 1.00 0.00 H new ATOM 0 HD2 PRO A 60 23.134 24.228 -5.988 1.00 0.00 H new ATOM 0 HD3 PRO A 60 22.853 23.333 -4.507 1.00 0.00 H new ATOM 935 N PRO A 61 19.554 21.245 -8.347 1.00 0.00 N ATOM 936 CA PRO A 61 18.741 20.481 -7.395 1.00 0.00 C ATOM 937 C PRO A 61 19.430 19.198 -6.944 1.00 0.00 C ATOM 938 O PRO A 61 19.190 18.708 -5.839 1.00 0.00 O ATOM 939 CB PRO A 61 17.475 20.156 -8.191 1.00 0.00 C ATOM 940 CG PRO A 61 17.906 20.183 -9.617 1.00 0.00 C ATOM 941 CD PRO A 61 18.983 21.229 -9.704 1.00 0.00 C ATOM 0 HA PRO A 61 18.553 21.040 -6.478 1.00 0.00 H new ATOM 0 HB2 PRO A 61 17.075 19.180 -7.917 1.00 0.00 H new ATOM 0 HB3 PRO A 61 16.689 20.887 -8.001 1.00 0.00 H new ATOM 0 HG2 PRO A 61 18.282 19.209 -9.930 1.00 0.00 H new ATOM 0 HG3 PRO A 61 17.070 20.428 -10.273 1.00 0.00 H new ATOM 0 HD2 PRO A 61 19.733 20.972 -10.452 1.00 0.00 H new ATOM 0 HD3 PRO A 61 18.577 22.202 -9.980 1.00 0.00 H new ATOM 949 N LEU A 62 20.287 18.658 -7.803 1.00 0.00 N ATOM 950 CA LEU A 62 21.013 17.432 -7.491 1.00 0.00 C ATOM 951 C LEU A 62 22.080 17.685 -6.431 1.00 0.00 C ATOM 952 O LEU A 62 23.150 18.217 -6.727 1.00 0.00 O ATOM 953 CB LEU A 62 21.659 16.863 -8.756 1.00 0.00 C ATOM 954 CG LEU A 62 20.765 16.797 -9.995 1.00 0.00 C ATOM 955 CD1 LEU A 62 21.598 16.923 -11.261 1.00 0.00 C ATOM 956 CD2 LEU A 62 19.966 15.502 -10.007 1.00 0.00 C ATOM 0 H LEU A 62 20.496 19.050 -8.721 1.00 0.00 H new ATOM 0 HA LEU A 62 20.301 16.708 -7.096 1.00 0.00 H new ATOM 0 HB2 LEU A 62 22.534 17.467 -8.996 1.00 0.00 H new ATOM 0 HB3 LEU A 62 22.016 15.857 -8.536 1.00 0.00 H new ATOM 0 HG LEU A 62 20.065 17.632 -9.960 1.00 0.00 H new ATOM 0 HD11 LEU A 62 20.945 16.874 -12.132 1.00 0.00 H new ATOM 0 HD12 LEU A 62 22.125 17.877 -11.256 1.00 0.00 H new ATOM 0 HD13 LEU A 62 22.321 16.109 -11.303 1.00 0.00 H new ATOM 0 HD21 LEU A 62 19.335 15.472 -10.896 1.00 0.00 H new ATOM 0 HD22 LEU A 62 20.649 14.653 -10.018 1.00 0.00 H new ATOM 0 HD23 LEU A 62 19.340 15.452 -9.116 1.00 0.00 H new ATOM 968 N TYR A 63 21.782 17.299 -5.196 1.00 0.00 N ATOM 969 CA TYR A 63 22.716 17.483 -4.091 1.00 0.00 C ATOM 970 C TYR A 63 22.391 16.538 -2.939 1.00 0.00 C ATOM 971 O TYR A 63 21.347 16.660 -2.297 1.00 0.00 O ATOM 972 CB TYR A 63 22.680 18.932 -3.602 1.00 0.00 C ATOM 973 CG TYR A 63 23.727 19.245 -2.557 1.00 0.00 C ATOM 974 CD1 TYR A 63 25.018 19.605 -2.924 1.00 0.00 C ATOM 975 CD2 TYR A 63 23.425 19.179 -1.202 1.00 0.00 C ATOM 976 CE1 TYR A 63 25.977 19.891 -1.972 1.00 0.00 C ATOM 977 CE2 TYR A 63 24.378 19.464 -0.243 1.00 0.00 C ATOM 978 CZ TYR A 63 25.653 19.819 -0.633 1.00 0.00 C ATOM 979 OH TYR A 63 26.605 20.103 0.319 1.00 0.00 O ATOM 0 H TYR A 63 20.901 16.857 -4.934 1.00 0.00 H new ATOM 0 HA TYR A 63 23.718 17.253 -4.454 1.00 0.00 H new ATOM 0 HB2 TYR A 63 22.819 19.598 -4.454 1.00 0.00 H new ATOM 0 HB3 TYR A 63 21.693 19.143 -3.190 1.00 0.00 H new ATOM 0 HD1 TYR A 63 25.276 19.662 -3.971 1.00 0.00 H new ATOM 0 HD2 TYR A 63 22.428 18.900 -0.893 1.00 0.00 H new ATOM 0 HE1 TYR A 63 26.976 20.170 -2.274 1.00 0.00 H new ATOM 0 HE2 TYR A 63 24.126 19.409 0.806 1.00 0.00 H new ATOM 0 HH TYR A 63 26.213 20.006 1.212 1.00 0.00 H new ATOM 989 N ARG A 64 23.292 15.596 -2.682 1.00 0.00 N ATOM 990 CA ARG A 64 23.102 14.628 -1.608 1.00 0.00 C ATOM 991 C ARG A 64 21.859 13.779 -1.857 1.00 0.00 C ATOM 992 O ARG A 64 21.175 13.370 -0.918 1.00 0.00 O ATOM 993 CB ARG A 64 22.982 15.345 -0.262 1.00 0.00 C ATOM 994 CG ARG A 64 24.089 16.356 -0.009 1.00 0.00 C ATOM 995 CD ARG A 64 25.382 15.673 0.409 1.00 0.00 C ATOM 996 NE ARG A 64 26.215 15.329 -0.740 1.00 0.00 N ATOM 997 CZ ARG A 64 27.529 15.143 -0.666 1.00 0.00 C ATOM 998 NH1 ARG A 64 28.154 15.267 0.497 1.00 0.00 N ATOM 999 NH2 ARG A 64 28.219 14.832 -1.756 1.00 0.00 N ATOM 0 H ARG A 64 24.161 15.482 -3.203 1.00 0.00 H new ATOM 0 HA ARG A 64 23.972 13.971 -1.585 1.00 0.00 H new ATOM 0 HB2 ARG A 64 22.019 15.854 -0.216 1.00 0.00 H new ATOM 0 HB3 ARG A 64 22.989 14.604 0.537 1.00 0.00 H new ATOM 0 HG2 ARG A 64 24.261 16.942 -0.912 1.00 0.00 H new ATOM 0 HG3 ARG A 64 23.776 17.053 0.769 1.00 0.00 H new ATOM 0 HD2 ARG A 64 25.939 16.330 1.077 1.00 0.00 H new ATOM 0 HD3 ARG A 64 25.149 14.769 0.972 1.00 0.00 H new ATOM 0 HE ARG A 64 25.764 15.226 -1.649 1.00 0.00 H new ATOM 0 HH11 ARG A 64 27.626 15.505 1.337 1.00 0.00 H new ATOM 0 HH12 ARG A 64 29.162 15.124 0.552 1.00 0.00 H new ATOM 0 HH21 ARG A 64 27.741 14.735 -2.652 1.00 0.00 H new ATOM 0 HH22 ARG A 64 29.227 14.690 -1.698 1.00 0.00 H new ATOM 1013 N VAL A 65 21.571 13.517 -3.128 1.00 0.00 N ATOM 1014 CA VAL A 65 20.412 12.715 -3.500 1.00 0.00 C ATOM 1015 C VAL A 65 20.638 11.242 -3.182 1.00 0.00 C ATOM 1016 O VAL A 65 19.703 10.521 -2.832 1.00 0.00 O ATOM 1017 CB VAL A 65 20.087 12.862 -4.999 1.00 0.00 C ATOM 1018 CG1 VAL A 65 18.688 12.342 -5.295 1.00 0.00 C ATOM 1019 CG2 VAL A 65 20.229 14.312 -5.436 1.00 0.00 C ATOM 0 H VAL A 65 22.125 13.849 -3.918 1.00 0.00 H new ATOM 0 HA VAL A 65 19.570 13.084 -2.915 1.00 0.00 H new ATOM 0 HB VAL A 65 20.799 12.264 -5.568 1.00 0.00 H new ATOM 0 HG11 VAL A 65 18.476 12.454 -6.358 1.00 0.00 H new ATOM 0 HG12 VAL A 65 18.626 11.289 -5.021 1.00 0.00 H new ATOM 0 HG13 VAL A 65 17.959 12.910 -4.718 1.00 0.00 H new ATOM 0 HG21 VAL A 65 19.996 14.397 -6.497 1.00 0.00 H new ATOM 0 HG22 VAL A 65 19.542 14.934 -4.863 1.00 0.00 H new ATOM 0 HG23 VAL A 65 21.252 14.646 -5.262 1.00 0.00 H new ATOM 1029 N SER A 66 21.886 10.800 -3.305 1.00 0.00 N ATOM 1030 CA SER A 66 22.235 9.411 -3.033 1.00 0.00 C ATOM 1031 C SER A 66 23.483 9.325 -2.160 1.00 0.00 C ATOM 1032 O SER A 66 24.310 10.237 -2.149 1.00 0.00 O ATOM 1033 CB SER A 66 22.462 8.654 -4.343 1.00 0.00 C ATOM 1034 OG SER A 66 22.747 7.287 -4.100 1.00 0.00 O ATOM 0 H SER A 66 22.672 11.384 -3.591 1.00 0.00 H new ATOM 0 HA SER A 66 21.405 8.952 -2.496 1.00 0.00 H new ATOM 0 HB2 SER A 66 21.576 8.738 -4.973 1.00 0.00 H new ATOM 0 HB3 SER A 66 23.287 9.109 -4.891 1.00 0.00 H new ATOM 0 HG SER A 66 23.705 7.179 -3.924 1.00 0.00 H new ATOM 1040 N SER A 67 23.612 8.222 -1.429 1.00 0.00 N ATOM 1041 CA SER A 67 24.757 8.017 -0.551 1.00 0.00 C ATOM 1042 C SER A 67 25.939 7.440 -1.324 1.00 0.00 C ATOM 1043 O SER A 67 26.681 6.601 -0.812 1.00 0.00 O ATOM 1044 CB SER A 67 24.382 7.082 0.601 1.00 0.00 C ATOM 1045 OG SER A 67 24.313 5.736 0.164 1.00 0.00 O ATOM 0 H SER A 67 22.937 7.457 -1.428 1.00 0.00 H new ATOM 0 HA SER A 67 25.049 8.985 -0.144 1.00 0.00 H new ATOM 0 HB2 SER A 67 25.118 7.171 1.400 1.00 0.00 H new ATOM 0 HB3 SER A 67 23.421 7.382 1.019 1.00 0.00 H new ATOM 0 HG SER A 67 24.073 5.159 0.919 1.00 0.00 H new ATOM 1051 N ASP A 68 26.108 7.896 -2.560 1.00 0.00 N ATOM 1052 CA ASP A 68 27.200 7.428 -3.406 1.00 0.00 C ATOM 1053 C ASP A 68 27.987 8.603 -3.977 1.00 0.00 C ATOM 1054 O ASP A 68 28.972 8.415 -4.691 1.00 0.00 O ATOM 1055 CB ASP A 68 26.658 6.560 -4.542 1.00 0.00 C ATOM 1056 CG ASP A 68 25.981 5.301 -4.037 1.00 0.00 C ATOM 1057 OD1 ASP A 68 24.841 5.399 -3.536 1.00 0.00 O ATOM 1058 OD2 ASP A 68 26.591 4.216 -4.143 1.00 0.00 O ATOM 0 H ASP A 68 25.502 8.590 -2.999 1.00 0.00 H new ATOM 0 HA ASP A 68 27.872 6.829 -2.791 1.00 0.00 H new ATOM 0 HB2 ASP A 68 25.947 7.140 -5.131 1.00 0.00 H new ATOM 0 HB3 ASP A 68 27.476 6.287 -5.208 1.00 0.00 H new ATOM 1063 N ASN A 69 27.544 9.815 -3.660 1.00 0.00 N ATOM 1064 CA ASN A 69 28.206 11.021 -4.145 1.00 0.00 C ATOM 1065 C ASN A 69 27.956 11.216 -5.637 1.00 0.00 C ATOM 1066 O ASN A 69 28.796 11.762 -6.352 1.00 0.00 O ATOM 1067 CB ASN A 69 29.710 10.948 -3.873 1.00 0.00 C ATOM 1068 CG ASN A 69 30.347 12.320 -3.772 1.00 0.00 C ATOM 1069 OD1 ASN A 69 30.812 12.876 -4.767 1.00 0.00 O ATOM 1070 ND2 ASN A 69 30.370 12.874 -2.565 1.00 0.00 N ATOM 0 H ASN A 69 26.730 9.988 -3.070 1.00 0.00 H new ATOM 0 HA ASN A 69 27.789 11.874 -3.610 1.00 0.00 H new ATOM 0 HB2 ASN A 69 29.883 10.401 -2.946 1.00 0.00 H new ATOM 0 HB3 ASN A 69 30.194 10.384 -4.670 1.00 0.00 H new ATOM 0 HD21 ASN A 69 30.785 13.797 -2.435 1.00 0.00 H new ATOM 0 HD22 ASN A 69 29.973 12.377 -1.768 1.00 0.00 H new ATOM 1077 N GLY A 70 26.794 10.766 -6.101 1.00 0.00 N ATOM 1078 CA GLY A 70 26.454 10.900 -7.506 1.00 0.00 C ATOM 1079 C GLY A 70 27.049 9.795 -8.355 1.00 0.00 C ATOM 1080 O GLY A 70 26.654 9.607 -9.505 1.00 0.00 O ATOM 0 H GLY A 70 26.082 10.311 -5.529 1.00 0.00 H new ATOM 0 HA2 GLY A 70 25.370 10.895 -7.616 1.00 0.00 H new ATOM 0 HA3 GLY A 70 26.807 11.864 -7.871 1.00 0.00 H new ATOM 1084 N GLN A 71 28.003 9.064 -7.787 1.00 0.00 N ATOM 1085 CA GLN A 71 28.656 7.973 -8.502 1.00 0.00 C ATOM 1086 C GLN A 71 27.627 7.049 -9.144 1.00 0.00 C ATOM 1087 O GLN A 71 27.582 6.906 -10.366 1.00 0.00 O ATOM 1088 CB GLN A 71 29.552 7.177 -7.552 1.00 0.00 C ATOM 1089 CG GLN A 71 29.971 5.823 -8.103 1.00 0.00 C ATOM 1090 CD GLN A 71 28.815 4.848 -8.195 1.00 0.00 C ATOM 1091 OE1 GLN A 71 28.129 4.585 -7.206 1.00 0.00 O ATOM 1092 NE2 GLN A 71 28.592 4.304 -9.386 1.00 0.00 N ATOM 0 H GLN A 71 28.341 9.207 -6.835 1.00 0.00 H new ATOM 0 HA GLN A 71 29.270 8.406 -9.292 1.00 0.00 H new ATOM 0 HB2 GLN A 71 30.445 7.762 -7.332 1.00 0.00 H new ATOM 0 HB3 GLN A 71 29.027 7.029 -6.608 1.00 0.00 H new ATOM 0 HG2 GLN A 71 30.408 5.957 -9.093 1.00 0.00 H new ATOM 0 HG3 GLN A 71 30.748 5.400 -7.466 1.00 0.00 H new ATOM 0 HE21 GLN A 71 29.185 4.550 -10.178 1.00 0.00 H new ATOM 0 HE22 GLN A 71 27.828 3.640 -9.508 1.00 0.00 H new ATOM 1101 N ARG A 72 26.801 6.423 -8.311 1.00 0.00 N ATOM 1102 CA ARG A 72 25.773 5.510 -8.797 1.00 0.00 C ATOM 1103 C ARG A 72 25.142 6.037 -10.082 1.00 0.00 C ATOM 1104 O ARG A 72 25.225 5.401 -11.134 1.00 0.00 O ATOM 1105 CB ARG A 72 24.695 5.309 -7.731 1.00 0.00 C ATOM 1106 CG ARG A 72 23.562 4.399 -8.176 1.00 0.00 C ATOM 1107 CD ARG A 72 22.809 3.825 -6.986 1.00 0.00 C ATOM 1108 NE ARG A 72 23.613 2.857 -6.244 1.00 0.00 N ATOM 1109 CZ ARG A 72 23.778 1.595 -6.622 1.00 0.00 C ATOM 1110 NH1 ARG A 72 23.198 1.149 -7.728 1.00 0.00 N ATOM 1111 NH2 ARG A 72 24.525 0.775 -5.894 1.00 0.00 N ATOM 0 H ARG A 72 26.824 6.531 -7.297 1.00 0.00 H new ATOM 0 HA ARG A 72 26.245 4.551 -9.012 1.00 0.00 H new ATOM 0 HB2 ARG A 72 25.155 4.891 -6.835 1.00 0.00 H new ATOM 0 HB3 ARG A 72 24.283 6.280 -7.455 1.00 0.00 H new ATOM 0 HG2 ARG A 72 22.873 4.957 -8.809 1.00 0.00 H new ATOM 0 HG3 ARG A 72 23.963 3.586 -8.781 1.00 0.00 H new ATOM 0 HD2 ARG A 72 22.512 4.635 -6.320 1.00 0.00 H new ATOM 0 HD3 ARG A 72 21.894 3.346 -7.333 1.00 0.00 H new ATOM 0 HE ARG A 72 24.073 3.168 -5.388 1.00 0.00 H new ATOM 0 HH11 ARG A 72 22.623 1.776 -8.291 1.00 0.00 H new ATOM 0 HH12 ARG A 72 23.327 0.179 -8.016 1.00 0.00 H new ATOM 0 HH21 ARG A 72 24.973 1.114 -5.043 1.00 0.00 H new ATOM 0 HH22 ARG A 72 24.651 -0.194 -6.186 1.00 0.00 H new ATOM 1125 N LEU A 73 24.510 7.202 -9.991 1.00 0.00 N ATOM 1126 CA LEU A 73 23.862 7.814 -11.145 1.00 0.00 C ATOM 1127 C LEU A 73 24.862 8.039 -12.275 1.00 0.00 C ATOM 1128 O LEU A 73 24.721 7.481 -13.364 1.00 0.00 O ATOM 1129 CB LEU A 73 23.218 9.143 -10.748 1.00 0.00 C ATOM 1130 CG LEU A 73 22.454 9.875 -11.852 1.00 0.00 C ATOM 1131 CD1 LEU A 73 21.465 8.939 -12.529 1.00 0.00 C ATOM 1132 CD2 LEU A 73 21.738 11.093 -11.288 1.00 0.00 C ATOM 0 H LEU A 73 24.433 7.742 -9.129 1.00 0.00 H new ATOM 0 HA LEU A 73 23.088 7.133 -11.499 1.00 0.00 H new ATOM 0 HB2 LEU A 73 22.533 8.959 -9.920 1.00 0.00 H new ATOM 0 HB3 LEU A 73 23.999 9.805 -10.374 1.00 0.00 H new ATOM 0 HG LEU A 73 23.171 10.214 -12.599 1.00 0.00 H new ATOM 0 HD11 LEU A 73 20.931 9.478 -13.312 1.00 0.00 H new ATOM 0 HD12 LEU A 73 22.002 8.099 -12.969 1.00 0.00 H new ATOM 0 HD13 LEU A 73 20.752 8.568 -11.792 1.00 0.00 H new ATOM 0 HD21 LEU A 73 21.200 11.601 -12.088 1.00 0.00 H new ATOM 0 HD22 LEU A 73 21.032 10.777 -10.520 1.00 0.00 H new ATOM 0 HD23 LEU A 73 22.468 11.775 -10.852 1.00 0.00 H new ATOM 1144 N LEU A 74 25.874 8.857 -12.009 1.00 0.00 N ATOM 1145 CA LEU A 74 26.900 9.155 -13.003 1.00 0.00 C ATOM 1146 C LEU A 74 27.265 7.906 -13.799 1.00 0.00 C ATOM 1147 O LEU A 74 27.467 7.969 -15.012 1.00 0.00 O ATOM 1148 CB LEU A 74 28.147 9.723 -12.323 1.00 0.00 C ATOM 1149 CG LEU A 74 28.130 11.225 -12.037 1.00 0.00 C ATOM 1150 CD1 LEU A 74 29.433 11.659 -11.384 1.00 0.00 C ATOM 1151 CD2 LEU A 74 27.886 12.009 -13.318 1.00 0.00 C ATOM 0 H LEU A 74 26.007 9.326 -11.113 1.00 0.00 H new ATOM 0 HA LEU A 74 26.499 9.899 -13.692 1.00 0.00 H new ATOM 0 HB2 LEU A 74 28.295 9.196 -11.381 1.00 0.00 H new ATOM 0 HB3 LEU A 74 29.011 9.503 -12.950 1.00 0.00 H new ATOM 0 HG LEU A 74 27.314 11.434 -11.346 1.00 0.00 H new ATOM 0 HD11 LEU A 74 29.402 12.731 -11.188 1.00 0.00 H new ATOM 0 HD12 LEU A 74 29.566 11.122 -10.445 1.00 0.00 H new ATOM 0 HD13 LEU A 74 30.266 11.436 -12.051 1.00 0.00 H new ATOM 0 HD21 LEU A 74 27.877 13.076 -13.095 1.00 0.00 H new ATOM 0 HD22 LEU A 74 28.680 11.794 -14.033 1.00 0.00 H new ATOM 0 HD23 LEU A 74 26.926 11.719 -13.745 1.00 0.00 H new ATOM 1163 N ASP A 75 27.346 6.774 -13.109 1.00 0.00 N ATOM 1164 CA ASP A 75 27.683 5.509 -13.753 1.00 0.00 C ATOM 1165 C ASP A 75 26.538 5.028 -14.639 1.00 0.00 C ATOM 1166 O ASP A 75 26.759 4.553 -15.752 1.00 0.00 O ATOM 1167 CB ASP A 75 28.010 4.448 -12.701 1.00 0.00 C ATOM 1168 CG ASP A 75 29.009 3.424 -13.203 1.00 0.00 C ATOM 1169 OD1 ASP A 75 30.227 3.660 -13.053 1.00 0.00 O ATOM 1170 OD2 ASP A 75 28.574 2.387 -13.744 1.00 0.00 O ATOM 0 H ASP A 75 27.183 6.706 -12.104 1.00 0.00 H new ATOM 0 HA ASP A 75 28.560 5.671 -14.380 1.00 0.00 H new ATOM 0 HB2 ASP A 75 28.409 4.934 -11.811 1.00 0.00 H new ATOM 0 HB3 ASP A 75 27.092 3.941 -12.403 1.00 0.00 H new ATOM 1175 N MET A 76 25.314 5.155 -14.136 1.00 0.00 N ATOM 1176 CA MET A 76 24.134 4.733 -14.882 1.00 0.00 C ATOM 1177 C MET A 76 23.989 5.539 -16.170 1.00 0.00 C ATOM 1178 O MET A 76 23.513 5.026 -17.183 1.00 0.00 O ATOM 1179 CB MET A 76 22.878 4.891 -14.023 1.00 0.00 C ATOM 1180 CG MET A 76 22.666 3.751 -13.040 1.00 0.00 C ATOM 1181 SD MET A 76 22.599 2.141 -13.849 1.00 0.00 S ATOM 1182 CE MET A 76 21.370 2.449 -15.115 1.00 0.00 C ATOM 0 H MET A 76 25.114 5.546 -13.216 1.00 0.00 H new ATOM 0 HA MET A 76 24.256 3.682 -15.144 1.00 0.00 H new ATOM 0 HB2 MET A 76 22.941 5.829 -13.471 1.00 0.00 H new ATOM 0 HB3 MET A 76 22.008 4.963 -14.676 1.00 0.00 H new ATOM 0 HG2 MET A 76 23.474 3.752 -12.308 1.00 0.00 H new ATOM 0 HG3 MET A 76 21.739 3.917 -12.492 1.00 0.00 H new ATOM 0 HE1 MET A 76 20.958 1.501 -15.460 1.00 0.00 H new ATOM 0 HE2 MET A 76 20.570 3.064 -14.703 1.00 0.00 H new ATOM 0 HE3 MET A 76 21.833 2.970 -15.953 1.00 0.00 H new ATOM 1192 N ILE A 77 24.401 6.801 -16.122 1.00 0.00 N ATOM 1193 CA ILE A 77 24.317 7.675 -17.285 1.00 0.00 C ATOM 1194 C ILE A 77 25.524 7.493 -18.199 1.00 0.00 C ATOM 1195 O ILE A 77 25.398 7.522 -19.422 1.00 0.00 O ATOM 1196 CB ILE A 77 24.220 9.156 -16.871 1.00 0.00 C ATOM 1197 CG1 ILE A 77 23.097 9.350 -15.850 1.00 0.00 C ATOM 1198 CG2 ILE A 77 23.990 10.034 -18.092 1.00 0.00 C ATOM 1199 CD1 ILE A 77 23.061 10.736 -15.247 1.00 0.00 C ATOM 0 H ILE A 77 24.796 7.241 -15.291 1.00 0.00 H new ATOM 0 HA ILE A 77 23.411 7.396 -17.823 1.00 0.00 H new ATOM 0 HB ILE A 77 25.162 9.451 -16.408 1.00 0.00 H new ATOM 0 HG12 ILE A 77 22.140 9.147 -16.331 1.00 0.00 H new ATOM 0 HG13 ILE A 77 23.213 8.618 -15.051 1.00 0.00 H new ATOM 0 HG21 ILE A 77 23.924 11.077 -17.783 1.00 0.00 H new ATOM 0 HG22 ILE A 77 24.820 9.914 -18.788 1.00 0.00 H new ATOM 0 HG23 ILE A 77 23.061 9.741 -18.581 1.00 0.00 H new ATOM 0 HD11 ILE A 77 22.240 10.801 -14.533 1.00 0.00 H new ATOM 0 HD12 ILE A 77 24.003 10.935 -14.736 1.00 0.00 H new ATOM 0 HD13 ILE A 77 22.914 11.473 -16.037 1.00 0.00 H new ATOM 1211 N GLU A 78 26.693 7.303 -17.595 1.00 0.00 N ATOM 1212 CA GLU A 78 27.923 7.113 -18.355 1.00 0.00 C ATOM 1213 C GLU A 78 27.706 6.132 -19.504 1.00 0.00 C ATOM 1214 O GLU A 78 28.242 6.311 -20.598 1.00 0.00 O ATOM 1215 CB GLU A 78 29.040 6.606 -17.441 1.00 0.00 C ATOM 1216 CG GLU A 78 30.429 7.038 -17.881 1.00 0.00 C ATOM 1217 CD GLU A 78 31.516 6.108 -17.378 1.00 0.00 C ATOM 1218 OE1 GLU A 78 31.482 4.911 -17.730 1.00 0.00 O ATOM 1219 OE2 GLU A 78 32.401 6.578 -16.631 1.00 0.00 O ATOM 0 H GLU A 78 26.814 7.277 -16.583 1.00 0.00 H new ATOM 0 HA GLU A 78 28.215 8.077 -18.773 1.00 0.00 H new ATOM 0 HB2 GLU A 78 28.861 6.966 -16.428 1.00 0.00 H new ATOM 0 HB3 GLU A 78 29.002 5.517 -17.404 1.00 0.00 H new ATOM 0 HG2 GLU A 78 30.465 7.078 -18.970 1.00 0.00 H new ATOM 0 HG3 GLU A 78 30.623 8.047 -17.519 1.00 0.00 H new ATOM 1226 N THR A 79 26.916 5.094 -19.247 1.00 0.00 N ATOM 1227 CA THR A 79 26.629 4.084 -20.257 1.00 0.00 C ATOM 1228 C THR A 79 25.703 4.633 -21.336 1.00 0.00 C ATOM 1229 O THR A 79 25.741 4.191 -22.485 1.00 0.00 O ATOM 1230 CB THR A 79 25.985 2.832 -19.633 1.00 0.00 C ATOM 1231 OG1 THR A 79 26.247 1.686 -20.451 1.00 0.00 O ATOM 1232 CG2 THR A 79 24.484 3.017 -19.475 1.00 0.00 C ATOM 0 H THR A 79 26.464 4.931 -18.347 1.00 0.00 H new ATOM 0 HA THR A 79 27.583 3.807 -20.706 1.00 0.00 H new ATOM 0 HB THR A 79 26.422 2.680 -18.646 1.00 0.00 H new ATOM 0 HG1 THR A 79 25.835 0.894 -20.046 1.00 0.00 H new ATOM 0 HG21 THR A 79 24.051 2.120 -19.032 1.00 0.00 H new ATOM 0 HG22 THR A 79 24.289 3.872 -18.827 1.00 0.00 H new ATOM 0 HG23 THR A 79 24.034 3.193 -20.452 1.00 0.00 H new ATOM 1240 N LEU A 80 24.872 5.599 -20.960 1.00 0.00 N ATOM 1241 CA LEU A 80 23.935 6.210 -21.897 1.00 0.00 C ATOM 1242 C LEU A 80 24.675 7.027 -22.951 1.00 0.00 C ATOM 1243 O LEU A 80 24.256 7.094 -24.107 1.00 0.00 O ATOM 1244 CB LEU A 80 22.942 7.100 -21.148 1.00 0.00 C ATOM 1245 CG LEU A 80 22.122 6.418 -20.053 1.00 0.00 C ATOM 1246 CD1 LEU A 80 21.099 7.382 -19.474 1.00 0.00 C ATOM 1247 CD2 LEU A 80 21.436 5.173 -20.598 1.00 0.00 C ATOM 0 H LEU A 80 24.828 5.976 -20.013 1.00 0.00 H new ATOM 0 HA LEU A 80 23.389 5.412 -22.400 1.00 0.00 H new ATOM 0 HB2 LEU A 80 23.493 7.927 -20.700 1.00 0.00 H new ATOM 0 HB3 LEU A 80 22.253 7.532 -21.874 1.00 0.00 H new ATOM 0 HG LEU A 80 22.799 6.115 -19.254 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.525 6.879 -18.696 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.612 8.244 -19.047 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.426 7.716 -20.264 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.857 4.700 -19.805 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.772 5.452 -21.416 1.00 0.00 H new ATOM 0 HD23 LEU A 80 22.188 4.474 -20.964 1.00 0.00 H new ATOM 1259 N LYS A 81 25.778 7.646 -22.546 1.00 0.00 N ATOM 1260 CA LYS A 81 26.579 8.458 -23.455 1.00 0.00 C ATOM 1261 C LYS A 81 27.380 7.577 -24.408 1.00 0.00 C ATOM 1262 O LYS A 81 27.183 7.623 -25.622 1.00 0.00 O ATOM 1263 CB LYS A 81 27.525 9.363 -22.663 1.00 0.00 C ATOM 1264 CG LYS A 81 26.842 10.579 -22.061 1.00 0.00 C ATOM 1265 CD LYS A 81 26.365 10.305 -20.645 1.00 0.00 C ATOM 1266 CE LYS A 81 27.434 10.651 -19.619 1.00 0.00 C ATOM 1267 NZ LYS A 81 26.975 10.385 -18.228 1.00 0.00 N ATOM 0 H LYS A 81 26.139 7.601 -21.593 1.00 0.00 H new ATOM 0 HA LYS A 81 25.902 9.077 -24.043 1.00 0.00 H new ATOM 0 HB2 LYS A 81 27.985 8.782 -21.864 1.00 0.00 H new ATOM 0 HB3 LYS A 81 28.329 9.696 -23.319 1.00 0.00 H new ATOM 0 HG2 LYS A 81 27.534 11.421 -22.056 1.00 0.00 H new ATOM 0 HG3 LYS A 81 25.994 10.866 -22.683 1.00 0.00 H new ATOM 0 HD2 LYS A 81 25.465 10.886 -20.444 1.00 0.00 H new ATOM 0 HD3 LYS A 81 26.093 9.254 -20.549 1.00 0.00 H new ATOM 0 HE2 LYS A 81 28.334 10.070 -19.822 1.00 0.00 H new ATOM 0 HE3 LYS A 81 27.705 11.702 -19.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 27.793 10.387 -17.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 26.305 11.125 -17.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 26.506 9.458 -18.189 1.00 0.00 H new ATOM 1281 N MET A 82 28.281 6.776 -23.851 1.00 0.00 N ATOM 1282 CA MET A 82 29.111 5.884 -24.653 1.00 0.00 C ATOM 1283 C MET A 82 28.320 5.317 -25.828 1.00 0.00 C ATOM 1284 O MET A 82 28.873 5.075 -26.900 1.00 0.00 O ATOM 1285 CB MET A 82 29.652 4.743 -23.789 1.00 0.00 C ATOM 1286 CG MET A 82 28.651 3.621 -23.566 1.00 0.00 C ATOM 1287 SD MET A 82 29.415 2.130 -22.900 1.00 0.00 S ATOM 1288 CE MET A 82 29.999 2.728 -21.316 1.00 0.00 C ATOM 0 H MET A 82 28.456 6.726 -22.847 1.00 0.00 H new ATOM 0 HA MET A 82 29.948 6.461 -25.046 1.00 0.00 H new ATOM 0 HB2 MET A 82 30.545 4.333 -24.261 1.00 0.00 H new ATOM 0 HB3 MET A 82 29.957 5.144 -22.822 1.00 0.00 H new ATOM 0 HG2 MET A 82 27.874 3.963 -22.882 1.00 0.00 H new ATOM 0 HG3 MET A 82 28.162 3.383 -24.510 1.00 0.00 H new ATOM 0 HE1 MET A 82 31.088 2.681 -21.288 1.00 0.00 H new ATOM 0 HE2 MET A 82 29.677 3.760 -21.175 1.00 0.00 H new ATOM 0 HE3 MET A 82 29.588 2.108 -20.519 1.00 0.00 H new ATOM 1298 N GLU A 83 27.024 5.108 -25.617 1.00 0.00 N ATOM 1299 CA GLU A 83 26.159 4.568 -26.660 1.00 0.00 C ATOM 1300 C GLU A 83 25.973 5.577 -27.789 1.00 0.00 C ATOM 1301 O GLU A 83 26.057 5.230 -28.968 1.00 0.00 O ATOM 1302 CB GLU A 83 24.799 4.183 -26.076 1.00 0.00 C ATOM 1303 CG GLU A 83 24.844 2.949 -25.190 1.00 0.00 C ATOM 1304 CD GLU A 83 25.085 1.675 -25.975 1.00 0.00 C ATOM 1305 OE1 GLU A 83 25.215 1.757 -27.215 1.00 0.00 O ATOM 1306 OE2 GLU A 83 25.145 0.595 -25.350 1.00 0.00 O ATOM 0 H GLU A 83 26.551 5.304 -24.735 1.00 0.00 H new ATOM 0 HA GLU A 83 26.637 3.677 -27.068 1.00 0.00 H new ATOM 0 HB2 GLU A 83 24.411 5.021 -25.497 1.00 0.00 H new ATOM 0 HB3 GLU A 83 24.099 4.008 -26.893 1.00 0.00 H new ATOM 0 HG2 GLU A 83 25.633 3.068 -24.447 1.00 0.00 H new ATOM 0 HG3 GLU A 83 23.904 2.863 -24.645 1.00 0.00 H new ATOM 1313 N HIS A 84 25.720 6.829 -27.420 1.00 0.00 N ATOM 1314 CA HIS A 84 25.522 7.890 -28.401 1.00 0.00 C ATOM 1315 C HIS A 84 26.849 8.302 -29.031 1.00 0.00 C ATOM 1316 O HIS A 84 27.917 8.074 -28.460 1.00 0.00 O ATOM 1317 CB HIS A 84 24.857 9.101 -27.747 1.00 0.00 C ATOM 1318 CG HIS A 84 24.870 10.328 -28.605 1.00 0.00 C ATOM 1319 ND1 HIS A 84 25.852 11.228 -28.850 1.00 0.00 N flip ATOM 1320 CD2 HIS A 84 23.777 10.750 -29.332 1.00 0.00 C flip ATOM 1321 CE1 HIS A 84 25.339 12.166 -29.712 1.00 0.00 C flip ATOM 1322 NE2 HIS A 84 24.086 11.855 -29.988 1.00 0.00 N flip ATOM 0 H HIS A 84 25.647 7.133 -26.449 1.00 0.00 H new ATOM 0 HA HIS A 84 24.870 7.507 -29.186 1.00 0.00 H new ATOM 0 HB2 HIS A 84 23.825 8.850 -27.502 1.00 0.00 H new ATOM 0 HB3 HIS A 84 25.364 9.320 -26.807 1.00 0.00 H new ATOM 0 HD2 HIS A 84 22.818 10.255 -29.361 1.00 0.00 H new ATOM 0 HE1 HIS A 84 25.874 13.020 -30.101 1.00 0.00 H new ATOM 0 HE2 HIS A 84 23.463 12.378 -30.603 1.00 0.00 H new ATOM 1330 N HIS A 85 26.776 8.910 -30.211 1.00 0.00 N ATOM 1331 CA HIS A 85 27.972 9.354 -30.918 1.00 0.00 C ATOM 1332 C HIS A 85 28.637 10.516 -30.185 1.00 0.00 C ATOM 1333 O HIS A 85 28.433 11.679 -30.531 1.00 0.00 O ATOM 1334 CB HIS A 85 27.620 9.772 -32.346 1.00 0.00 C ATOM 1335 CG HIS A 85 26.648 8.851 -33.017 1.00 0.00 C ATOM 1336 ND1 HIS A 85 25.322 8.665 -32.816 1.00 0.00 N flip ATOM 1337 CD2 HIS A 85 27.007 7.984 -34.026 1.00 0.00 C flip ATOM 1338 CE1 HIS A 85 24.909 7.699 -33.700 1.00 0.00 C flip ATOM 1339 NE2 HIS A 85 25.944 7.305 -34.419 1.00 0.00 N flip ATOM 0 H HIS A 85 25.901 9.106 -30.698 1.00 0.00 H new ATOM 0 HA HIS A 85 28.673 8.520 -30.953 1.00 0.00 H new ATOM 0 HB2 HIS A 85 27.202 10.778 -32.329 1.00 0.00 H new ATOM 0 HB3 HIS A 85 28.534 9.817 -32.938 1.00 0.00 H new ATOM 0 HD2 HIS A 85 28.002 7.876 -34.432 1.00 0.00 H new ATOM 0 HE1 HIS A 85 23.901 7.322 -33.792 1.00 0.00 H new ATOM 0 HE2 HIS A 85 25.926 6.597 -35.153 1.00 0.00 H new ATOM 1347 N MET A 86 29.432 10.191 -29.170 1.00 0.00 N ATOM 1348 CA MET A 86 30.127 11.208 -28.389 1.00 0.00 C ATOM 1349 C MET A 86 31.600 11.279 -28.777 1.00 0.00 C ATOM 1350 O MET A 86 32.472 11.400 -27.917 1.00 0.00 O ATOM 1351 CB MET A 86 29.995 10.911 -26.894 1.00 0.00 C ATOM 1352 CG MET A 86 28.616 11.218 -26.332 1.00 0.00 C ATOM 1353 SD MET A 86 28.098 12.915 -26.653 1.00 0.00 S ATOM 1354 CE MET A 86 26.566 12.982 -25.728 1.00 0.00 C ATOM 0 H MET A 86 29.611 9.233 -28.870 1.00 0.00 H new ATOM 0 HA MET A 86 29.667 12.173 -28.603 1.00 0.00 H new ATOM 0 HB2 MET A 86 30.224 9.860 -26.719 1.00 0.00 H new ATOM 0 HB3 MET A 86 30.738 11.493 -26.349 1.00 0.00 H new ATOM 0 HG2 MET A 86 27.889 10.532 -26.767 1.00 0.00 H new ATOM 0 HG3 MET A 86 28.618 11.040 -25.257 1.00 0.00 H new ATOM 0 HE1 MET A 86 26.486 13.947 -25.227 1.00 0.00 H new ATOM 0 HE2 MET A 86 25.724 12.855 -26.409 1.00 0.00 H new ATOM 0 HE3 MET A 86 26.555 12.185 -24.985 1.00 0.00 H new ATOM 1364 N GLU A 87 31.869 11.204 -30.077 1.00 0.00 N ATOM 1365 CA GLU A 87 33.238 11.258 -30.577 1.00 0.00 C ATOM 1366 C GLU A 87 34.167 10.408 -29.714 1.00 0.00 C ATOM 1367 O GLU A 87 35.271 10.830 -29.372 1.00 0.00 O ATOM 1368 CB GLU A 87 33.736 12.705 -30.609 1.00 0.00 C ATOM 1369 CG GLU A 87 32.707 13.690 -31.138 1.00 0.00 C ATOM 1370 CD GLU A 87 31.676 14.074 -30.094 1.00 0.00 C ATOM 1371 OE1 GLU A 87 32.076 14.582 -29.025 1.00 0.00 O ATOM 1372 OE2 GLU A 87 30.471 13.866 -30.345 1.00 0.00 O ATOM 0 H GLU A 87 31.158 11.106 -30.802 1.00 0.00 H new ATOM 0 HA GLU A 87 33.243 10.857 -31.590 1.00 0.00 H new ATOM 0 HB2 GLU A 87 34.028 13.003 -29.602 1.00 0.00 H new ATOM 0 HB3 GLU A 87 34.631 12.759 -31.229 1.00 0.00 H new ATOM 0 HG2 GLU A 87 33.216 14.588 -31.488 1.00 0.00 H new ATOM 0 HG3 GLU A 87 32.201 13.254 -31.999 1.00 0.00 H new ATOM 1379 N ALA A 88 33.710 9.210 -29.367 1.00 0.00 N ATOM 1380 CA ALA A 88 34.499 8.300 -28.546 1.00 0.00 C ATOM 1381 C ALA A 88 35.899 8.116 -29.121 1.00 0.00 C ATOM 1382 O ALA A 88 36.060 7.798 -30.300 1.00 0.00 O ATOM 1383 CB ALA A 88 33.796 6.957 -28.421 1.00 0.00 C ATOM 0 H ALA A 88 32.797 8.847 -29.642 1.00 0.00 H new ATOM 0 HA ALA A 88 34.598 8.739 -27.553 1.00 0.00 H new ATOM 0 HB1 ALA A 88 34.397 6.288 -27.805 1.00 0.00 H new ATOM 0 HB2 ALA A 88 32.820 7.099 -27.957 1.00 0.00 H new ATOM 0 HB3 ALA A 88 33.667 6.521 -29.411 1.00 0.00 H new ATOM 1389 N HIS A 89 36.910 8.317 -28.282 1.00 0.00 N ATOM 1390 CA HIS A 89 38.298 8.172 -28.708 1.00 0.00 C ATOM 1391 C HIS A 89 38.557 6.767 -29.244 1.00 0.00 C ATOM 1392 O HIS A 89 39.038 6.599 -30.365 1.00 0.00 O ATOM 1393 CB HIS A 89 39.244 8.469 -27.544 1.00 0.00 C ATOM 1394 CG HIS A 89 39.029 9.816 -26.926 1.00 0.00 C ATOM 1395 ND1 HIS A 89 37.998 10.300 -26.195 1.00 0.00 N flip ATOM 1396 CD2 HIS A 89 39.940 10.846 -27.030 1.00 0.00 C flip ATOM 1397 CE1 HIS A 89 38.303 11.600 -25.873 1.00 0.00 C flip ATOM 1398 NE2 HIS A 89 39.480 11.905 -26.388 1.00 0.00 N flip ATOM 0 H HIS A 89 36.795 8.581 -27.303 1.00 0.00 H new ATOM 0 HA HIS A 89 38.484 8.888 -29.509 1.00 0.00 H new ATOM 0 HB2 HIS A 89 39.117 7.703 -26.779 1.00 0.00 H new ATOM 0 HB3 HIS A 89 40.273 8.400 -27.896 1.00 0.00 H new ATOM 0 HD2 HIS A 89 40.883 10.795 -27.555 1.00 0.00 H new ATOM 0 HE1 HIS A 89 37.681 12.265 -25.293 1.00 0.00 H new ATOM 0 HE2 HIS A 89 39.953 12.805 -26.304 1.00 0.00 H new ATOM 1406 N LYS A 90 38.237 5.762 -28.437 1.00 0.00 N ATOM 1407 CA LYS A 90 38.435 4.372 -28.829 1.00 0.00 C ATOM 1408 C LYS A 90 37.436 3.963 -29.907 1.00 0.00 C ATOM 1409 O LYS A 90 36.257 3.755 -29.626 1.00 0.00 O ATOM 1410 CB LYS A 90 38.295 3.452 -27.614 1.00 0.00 C ATOM 1411 CG LYS A 90 38.892 2.072 -27.824 1.00 0.00 C ATOM 1412 CD LYS A 90 38.016 1.216 -28.724 1.00 0.00 C ATOM 1413 CE LYS A 90 38.149 -0.262 -28.390 1.00 0.00 C ATOM 1414 NZ LYS A 90 39.566 -0.650 -28.148 1.00 0.00 N ATOM 0 H LYS A 90 37.839 5.884 -27.506 1.00 0.00 H new ATOM 0 HA LYS A 90 39.442 4.276 -29.236 1.00 0.00 H new ATOM 0 HB2 LYS A 90 38.778 3.921 -26.756 1.00 0.00 H new ATOM 0 HB3 LYS A 90 37.238 3.348 -27.368 1.00 0.00 H new ATOM 0 HG2 LYS A 90 39.884 2.167 -28.265 1.00 0.00 H new ATOM 0 HG3 LYS A 90 39.017 1.578 -26.860 1.00 0.00 H new ATOM 0 HD2 LYS A 90 36.975 1.522 -28.618 1.00 0.00 H new ATOM 0 HD3 LYS A 90 38.292 1.381 -29.766 1.00 0.00 H new ATOM 0 HE2 LYS A 90 37.554 -0.490 -27.506 1.00 0.00 H new ATOM 0 HE3 LYS A 90 37.744 -0.857 -29.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 39.672 -1.677 -28.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 40.182 -0.152 -28.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 39.835 -0.393 -27.177 1.00 0.00 H new ATOM 1428 N ASN A 91 37.917 3.849 -31.141 1.00 0.00 N ATOM 1429 CA ASN A 91 37.066 3.465 -32.261 1.00 0.00 C ATOM 1430 C ASN A 91 37.092 1.954 -32.470 1.00 0.00 C ATOM 1431 O ASN A 91 36.047 1.309 -32.544 1.00 0.00 O ATOM 1432 CB ASN A 91 37.516 4.176 -33.538 1.00 0.00 C ATOM 1433 CG ASN A 91 39.026 4.240 -33.664 1.00 0.00 C ATOM 1434 OD1 ASN A 91 39.691 3.215 -33.816 1.00 0.00 O ATOM 1435 ND2 ASN A 91 39.575 5.447 -33.599 1.00 0.00 N ATOM 0 H ASN A 91 38.892 4.017 -31.390 1.00 0.00 H new ATOM 0 HA ASN A 91 36.044 3.764 -32.028 1.00 0.00 H new ATOM 0 HB2 ASN A 91 37.104 3.657 -34.404 1.00 0.00 H new ATOM 0 HB3 ASN A 91 37.110 5.188 -33.549 1.00 0.00 H new ATOM 0 HD21 ASN A 91 40.587 5.552 -33.676 1.00 0.00 H new ATOM 0 HD22 ASN A 91 38.985 6.269 -33.472 1.00 0.00 H new ATOM 1442 N SER A 92 38.295 1.396 -32.565 1.00 0.00 N ATOM 1443 CA SER A 92 38.459 -0.039 -32.770 1.00 0.00 C ATOM 1444 C SER A 92 39.858 -0.490 -32.362 1.00 0.00 C ATOM 1445 O SER A 92 40.714 0.329 -32.030 1.00 0.00 O ATOM 1446 CB SER A 92 38.201 -0.399 -34.234 1.00 0.00 C ATOM 1447 OG SER A 92 39.204 0.143 -35.076 1.00 0.00 O ATOM 0 H SER A 92 39.170 1.916 -32.503 1.00 0.00 H new ATOM 0 HA SER A 92 37.733 -0.556 -32.143 1.00 0.00 H new ATOM 0 HB2 SER A 92 38.174 -1.483 -34.346 1.00 0.00 H new ATOM 0 HB3 SER A 92 37.224 -0.023 -34.538 1.00 0.00 H new ATOM 0 HG SER A 92 39.018 -0.102 -36.006 1.00 0.00 H new ATOM 1453 N GLY A 93 40.081 -1.800 -32.388 1.00 0.00 N ATOM 1454 CA GLY A 93 41.377 -2.339 -32.019 1.00 0.00 C ATOM 1455 C GLY A 93 42.478 -1.903 -32.965 1.00 0.00 C ATOM 1456 O GLY A 93 42.396 -2.099 -34.178 1.00 0.00 O ATOM 0 H GLY A 93 39.388 -2.498 -32.658 1.00 0.00 H new ATOM 0 HA2 GLY A 93 41.625 -2.020 -31.007 1.00 0.00 H new ATOM 0 HA3 GLY A 93 41.324 -3.428 -32.006 1.00 0.00 H new ATOM 1460 N PRO A 94 43.536 -1.296 -32.409 1.00 0.00 N ATOM 1461 CA PRO A 94 44.678 -0.818 -33.194 1.00 0.00 C ATOM 1462 C PRO A 94 45.510 -1.963 -33.763 1.00 0.00 C ATOM 1463 O PRO A 94 45.804 -1.995 -34.958 1.00 0.00 O ATOM 1464 CB PRO A 94 45.496 -0.016 -32.180 1.00 0.00 C ATOM 1465 CG PRO A 94 45.137 -0.600 -30.857 1.00 0.00 C ATOM 1466 CD PRO A 94 43.701 -1.029 -30.970 1.00 0.00 C ATOM 0 HA PRO A 94 44.362 -0.238 -34.061 1.00 0.00 H new ATOM 0 HB2 PRO A 94 46.565 -0.104 -32.375 1.00 0.00 H new ATOM 0 HB3 PRO A 94 45.251 1.045 -32.224 1.00 0.00 H new ATOM 0 HG2 PRO A 94 45.780 -1.447 -30.617 1.00 0.00 H new ATOM 0 HG3 PRO A 94 45.264 0.132 -30.060 1.00 0.00 H new ATOM 0 HD2 PRO A 94 43.499 -1.917 -30.371 1.00 0.00 H new ATOM 0 HD3 PRO A 94 43.021 -0.250 -30.625 1.00 0.00 H new ATOM 1474 N SER A 95 45.886 -2.901 -32.900 1.00 0.00 N ATOM 1475 CA SER A 95 46.687 -4.046 -33.316 1.00 0.00 C ATOM 1476 C SER A 95 45.858 -5.327 -33.289 1.00 0.00 C ATOM 1477 O SER A 95 44.826 -5.398 -32.622 1.00 0.00 O ATOM 1478 CB SER A 95 47.910 -4.197 -32.409 1.00 0.00 C ATOM 1479 OG SER A 95 47.523 -4.400 -31.061 1.00 0.00 O ATOM 0 H SER A 95 45.649 -2.891 -31.908 1.00 0.00 H new ATOM 0 HA SER A 95 47.022 -3.872 -34.339 1.00 0.00 H new ATOM 0 HB2 SER A 95 48.516 -5.038 -32.747 1.00 0.00 H new ATOM 0 HB3 SER A 95 48.533 -3.305 -32.482 1.00 0.00 H new ATOM 0 HG SER A 95 48.322 -4.495 -30.502 1.00 0.00 H new ATOM 1485 N SER A 96 46.318 -6.337 -34.020 1.00 0.00 N ATOM 1486 CA SER A 96 45.619 -7.615 -34.084 1.00 0.00 C ATOM 1487 C SER A 96 46.064 -8.536 -32.952 1.00 0.00 C ATOM 1488 O SER A 96 46.266 -9.733 -33.153 1.00 0.00 O ATOM 1489 CB SER A 96 45.869 -8.290 -35.434 1.00 0.00 C ATOM 1490 OG SER A 96 47.256 -8.461 -35.669 1.00 0.00 O ATOM 0 H SER A 96 47.172 -6.295 -34.576 1.00 0.00 H new ATOM 0 HA SER A 96 44.552 -7.423 -33.974 1.00 0.00 H new ATOM 0 HB2 SER A 96 45.371 -9.259 -35.457 1.00 0.00 H new ATOM 0 HB3 SER A 96 45.433 -7.688 -36.231 1.00 0.00 H new ATOM 0 HG SER A 96 47.390 -8.896 -36.537 1.00 0.00 H new ATOM 1496 N GLY A 97 46.214 -7.967 -31.759 1.00 0.00 N ATOM 1497 CA GLY A 97 46.634 -8.750 -30.612 1.00 0.00 C ATOM 1498 C GLY A 97 46.030 -10.140 -30.606 1.00 0.00 C ATOM 1499 O GLY A 97 46.690 -11.110 -30.234 1.00 0.00 O ATOM 0 H GLY A 97 46.052 -6.978 -31.567 1.00 0.00 H new ATOM 0 HA2 GLY A 97 47.721 -8.830 -30.609 1.00 0.00 H new ATOM 0 HA3 GLY A 97 46.350 -8.230 -29.697 1.00 0.00 H new TER 1503 GLY A 97