USER MOD reduce.3.24.130724 H: found=0, std=0, add=1424, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1422 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 NoAdj-H: A 25 HIS HD1 : A 25 HIS ND1 : A 94 ZNZN :(H bumps) USER MOD NoAdj-H: A 85 HIS HE2 : A 85 HIS NE2 : B 94 ZNZN :(H bumps) USER MOD NoAdj-H: B 25 HIS HD1 : B 25 HIS ND1 : B 94 ZNZN :(H bumps) USER MOD NoAdj-H: B 85 HIS HE2 : B 85 HIS NE2 : A 94 ZNZN :(H bumps) USER MOD Set 1.1: B 57 MET CE :methyl -169:sc= -1.41 (180deg=-2.21!) USER MOD Set 1.2: B 68 CYS SG : rot -54:sc= 0.183 USER MOD Set 2.1: B 17 TYR OH : rot -130:sc= 0.54 USER MOD Set 2.2: B 38 ASN : amide:sc= 0.925 K(o=1.5,f=-0.49) USER MOD Set 3.1: A 57 MET CE :methyl -170:sc= -1.34 (180deg=-2.08!) USER MOD Set 3.2: A 68 CYS SG : rot -54:sc= 0.166 USER MOD Set 4.1: A 17 TYR OH : rot -173:sc= 0.559 USER MOD Set 4.2: A 38 ASN : amide:sc= 0.939 K(o=1.5,f=-0.52) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -157:sc= -0.228 (180deg=-0.83) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00466 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl -156:sc= -0.121 (180deg=-0.615) USER MOD Single : A 15 HIS : no HE2:sc= -5.93! C(o=-5.9!,f=-12!) USER MOD Single : A 16 GLN : amide:sc= -0.0143 K(o=-0.014,f=-1.1!) USER MOD Single : A 18 SER OG : rot 160:sc= -4.6! USER MOD Single : A 24 LYS NZ :NH3+ -167:sc=-0.00791 (180deg=-0.256) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 144:sc= -3.47! (180deg=-5.82!) USER MOD Single : A 29 LYS NZ :NH3+ -107:sc= -1.09 (180deg=-2.99!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.0405 K(o=-0.041,f=-2.3) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.0234 X(o=-0.023,f=-0.0011) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.0495 X(o=-0.05,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -157:sc= -7.65! (180deg=-8.36!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -5.35! C(o=-5.3!,f=-8.6!) USER MOD Single : A 74 MET CE :methyl -179:sc= -0.959 (180deg=-0.966) USER MOD Single : A 78 SER OG : rot -100:sc= -0.32 USER MOD Single : A 79 MET CE :methyl -168:sc= -0.561 (180deg=-0.624) USER MOD Single : A 81 THR OG1 : rot -28:sc= -2.99! USER MOD Single : A 82 THR OG1 : rot -73:sc= -0.638 USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -0.15 X(o=-0.15,f=0) USER MOD Single : B 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 0 MET N :NH3+ -146:sc= -0.238 (180deg=-0.826) USER MOD Single : B 1 SER OG : rot 180:sc= 0.0058 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 MET CE :methyl -159:sc= -0.172 (180deg=-0.628) USER MOD Single : B 15 HIS : no HE2:sc= -6.55! C(o=-6.6!,f=-12!) USER MOD Single : B 16 GLN : amide:sc=-0.00143 K(o=-0.0014,f=-1.1!) USER MOD Single : B 18 SER OG : rot 160:sc= -4.55! USER MOD Single : B 24 LYS NZ :NH3+ -165:sc=-0.00258 (180deg=-0.26) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ 148:sc= -3.45! (180deg=-5.69!) USER MOD Single : B 29 LYS NZ :NH3+ -110:sc= -1.36 (180deg=-3.48!) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 ASN : amide:sc= -0.0509 K(o=-0.051,f=-2.3) USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 42 HIS : no HD1:sc= -0.0192 X(o=-0.019,f=0) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 GLN : amide:sc= -0.0459 X(o=-0.046,f=0) USER MOD Single : B 55 LYS NZ :NH3+ -166:sc= -7.54! (180deg=-8.58!) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD Single : B 71 GLN : amide:sc= -5.35! C(o=-5.3!,f=-9!) USER MOD Single : B 74 MET CE :methyl 180:sc= -0.779 (180deg=-0.779) USER MOD Single : B 78 SER OG : rot -100:sc= -0.286 USER MOD Single : B 79 MET CE :methyl -168:sc= -0.516 (180deg=-0.575) USER MOD Single : B 81 THR OG1 : rot -44:sc= -2.77! USER MOD Single : B 82 THR OG1 : rot -79:sc= -0.61 USER MOD Single : B 84 CYS SG : rot 180:sc= 0 USER MOD Single : B 90 HIS : no HD1:sc= -0.146 X(o=-0.15,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -7.611 7.011 10.779 1.00 0.00 N ATOM 2 CA MET A 0 -8.474 6.794 11.975 1.00 0.00 C ATOM 3 C MET A 0 -8.620 5.296 12.236 1.00 0.00 C ATOM 4 O MET A 0 -8.985 4.535 11.362 1.00 0.00 O ATOM 5 CB MET A 0 -9.856 7.399 11.726 1.00 0.00 C ATOM 6 CG MET A 0 -10.686 7.313 13.007 1.00 0.00 C ATOM 7 SD MET A 0 -12.222 8.246 12.794 1.00 0.00 S ATOM 8 CE MET A 0 -12.897 7.953 14.447 1.00 0.00 C ATOM 0 H1 MET A 0 -7.194 7.963 10.820 1.00 0.00 H new ATOM 0 H2 MET A 0 -6.851 6.301 10.766 1.00 0.00 H new ATOM 0 H3 MET A 0 -8.184 6.921 9.916 1.00 0.00 H new ATOM 0 HA MET A 0 -8.016 7.273 12.840 1.00 0.00 H new ATOM 0 HB2 MET A 0 -9.759 8.438 11.411 1.00 0.00 H new ATOM 0 HB3 MET A 0 -10.358 6.867 10.918 1.00 0.00 H new ATOM 0 HG2 MET A 0 -10.910 6.272 13.239 1.00 0.00 H new ATOM 0 HG3 MET A 0 -10.119 7.712 13.848 1.00 0.00 H new ATOM 0 HE1 MET A 0 -13.863 8.449 14.539 1.00 0.00 H new ATOM 0 HE2 MET A 0 -13.023 6.882 14.604 1.00 0.00 H new ATOM 0 HE3 MET A 0 -12.212 8.351 15.196 1.00 0.00 H new ATOM 20 N SER A 1 -8.352 4.866 13.439 1.00 0.00 N ATOM 21 CA SER A 1 -8.489 3.420 13.769 1.00 0.00 C ATOM 22 C SER A 1 -7.339 2.617 13.160 1.00 0.00 C ATOM 23 O SER A 1 -6.251 3.115 12.947 1.00 0.00 O ATOM 24 CB SER A 1 -9.827 2.894 13.234 1.00 0.00 C ATOM 25 OG SER A 1 -10.328 1.904 14.123 1.00 0.00 O ATOM 0 H SER A 1 -8.043 5.457 14.210 1.00 0.00 H new ATOM 0 HA SER A 1 -8.457 3.305 14.852 1.00 0.00 H new ATOM 0 HB2 SER A 1 -10.542 3.712 13.141 1.00 0.00 H new ATOM 0 HB3 SER A 1 -9.694 2.472 12.238 1.00 0.00 H new ATOM 0 HG SER A 1 -11.184 1.566 13.787 1.00 0.00 H new ATOM 31 N GLU A 2 -7.597 1.371 12.872 1.00 0.00 N ATOM 32 CA GLU A 2 -6.552 0.498 12.275 1.00 0.00 C ATOM 33 C GLU A 2 -5.862 1.232 11.125 1.00 0.00 C ATOM 34 O GLU A 2 -4.743 0.924 10.767 1.00 0.00 O ATOM 35 CB GLU A 2 -7.196 -0.788 11.750 1.00 0.00 C ATOM 36 CG GLU A 2 -7.748 -1.595 12.925 1.00 0.00 C ATOM 37 CD GLU A 2 -6.589 -2.138 13.762 1.00 0.00 C ATOM 38 OE1 GLU A 2 -5.483 -2.180 13.249 1.00 0.00 O ATOM 39 OE2 GLU A 2 -6.825 -2.503 14.902 1.00 0.00 O ATOM 0 H GLU A 2 -8.497 0.918 13.027 1.00 0.00 H new ATOM 0 HA GLU A 2 -5.814 0.248 13.037 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.997 -0.548 11.051 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.462 -1.378 11.202 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.392 -0.967 13.541 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.362 -2.418 12.558 1.00 0.00 H new ATOM 46 N LEU A 3 -6.519 2.193 10.533 1.00 0.00 N ATOM 47 CA LEU A 3 -5.893 2.929 9.399 1.00 0.00 C ATOM 48 C LEU A 3 -4.946 3.997 9.947 1.00 0.00 C ATOM 49 O LEU A 3 -3.998 4.387 9.297 1.00 0.00 O ATOM 50 CB LEU A 3 -6.976 3.623 8.555 1.00 0.00 C ATOM 51 CG LEU A 3 -7.936 2.602 7.909 1.00 0.00 C ATOM 52 CD1 LEU A 3 -7.149 1.550 7.109 1.00 0.00 C ATOM 53 CD2 LEU A 3 -8.792 1.912 8.985 1.00 0.00 C ATOM 0 H LEU A 3 -7.459 2.499 10.785 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.346 2.218 8.780 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.544 4.309 9.184 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -6.503 4.221 7.776 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.595 3.139 7.227 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.843 0.839 6.661 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -6.577 2.043 6.323 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.468 1.021 7.775 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -9.463 1.195 8.512 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -8.142 1.391 9.688 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -9.378 2.660 9.519 1.00 0.00 H new ATOM 65 N GLU A 4 -5.178 4.466 11.141 1.00 0.00 N ATOM 66 CA GLU A 4 -4.270 5.495 11.716 1.00 0.00 C ATOM 67 C GLU A 4 -2.990 4.804 12.171 1.00 0.00 C ATOM 68 O GLU A 4 -1.949 5.414 12.291 1.00 0.00 O ATOM 69 CB GLU A 4 -4.946 6.175 12.911 1.00 0.00 C ATOM 70 CG GLU A 4 -3.940 7.081 13.627 1.00 0.00 C ATOM 71 CD GLU A 4 -4.686 8.042 14.555 1.00 0.00 C ATOM 72 OE1 GLU A 4 -5.693 8.584 14.129 1.00 0.00 O ATOM 73 OE2 GLU A 4 -4.237 8.222 15.675 1.00 0.00 O ATOM 0 H GLU A 4 -5.953 4.183 11.740 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.041 6.253 10.967 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.801 6.761 12.573 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.328 5.423 13.601 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.236 6.478 14.201 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.357 7.643 12.897 1.00 0.00 H new ATOM 80 N LYS A 5 -3.066 3.528 12.421 1.00 0.00 N ATOM 81 CA LYS A 5 -1.861 2.779 12.864 1.00 0.00 C ATOM 82 C LYS A 5 -0.966 2.510 11.650 1.00 0.00 C ATOM 83 O LYS A 5 0.214 2.800 11.661 1.00 0.00 O ATOM 84 CB LYS A 5 -2.312 1.448 13.499 1.00 0.00 C ATOM 85 CG LYS A 5 -2.635 1.655 14.997 1.00 0.00 C ATOM 86 CD LYS A 5 -3.698 0.633 15.481 1.00 0.00 C ATOM 87 CE LYS A 5 -5.097 1.270 15.468 1.00 0.00 C ATOM 88 NZ LYS A 5 -5.267 2.118 16.681 1.00 0.00 N ATOM 0 H LYS A 5 -3.915 2.970 12.337 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.300 3.357 13.598 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.191 1.068 12.979 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.528 0.699 13.388 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.725 1.547 15.588 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.000 2.669 15.158 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.686 -0.247 14.837 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.455 0.295 16.488 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.226 1.873 14.569 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.862 0.494 15.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.213 2.549 16.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.161 1.531 17.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.545 2.867 16.685 1.00 0.00 H new ATOM 102 N ALA A 6 -1.516 1.953 10.608 1.00 0.00 N ATOM 103 CA ALA A 6 -0.699 1.656 9.398 1.00 0.00 C ATOM 104 C ALA A 6 -0.187 2.950 8.773 1.00 0.00 C ATOM 105 O ALA A 6 0.997 3.115 8.550 1.00 0.00 O ATOM 106 CB ALA A 6 -1.555 0.903 8.378 1.00 0.00 C ATOM 0 H ALA A 6 -2.499 1.690 10.542 1.00 0.00 H new ATOM 0 HA ALA A 6 0.154 1.043 9.690 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -0.958 0.685 7.492 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -1.907 -0.031 8.817 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.411 1.517 8.097 1.00 0.00 H new ATOM 112 N MET A 7 -1.059 3.864 8.475 1.00 0.00 N ATOM 113 CA MET A 7 -0.605 5.133 7.850 1.00 0.00 C ATOM 114 C MET A 7 0.463 5.787 8.725 1.00 0.00 C ATOM 115 O MET A 7 1.410 6.360 8.230 1.00 0.00 O ATOM 116 CB MET A 7 -1.788 6.101 7.695 1.00 0.00 C ATOM 117 CG MET A 7 -2.775 5.596 6.628 1.00 0.00 C ATOM 118 SD MET A 7 -3.644 7.020 5.908 1.00 0.00 S ATOM 119 CE MET A 7 -5.342 6.404 6.051 1.00 0.00 C ATOM 0 H MET A 7 -2.064 3.790 8.636 1.00 0.00 H new ATOM 0 HA MET A 7 -0.190 4.908 6.867 1.00 0.00 H new ATOM 0 HB2 MET A 7 -2.302 6.209 8.650 1.00 0.00 H new ATOM 0 HB3 MET A 7 -1.421 7.089 7.418 1.00 0.00 H new ATOM 0 HG2 MET A 7 -2.242 5.048 5.851 1.00 0.00 H new ATOM 0 HG3 MET A 7 -3.490 4.904 7.073 1.00 0.00 H new ATOM 0 HE1 MET A 7 -5.972 6.900 5.313 1.00 0.00 H new ATOM 0 HE2 MET A 7 -5.355 5.328 5.875 1.00 0.00 H new ATOM 0 HE3 MET A 7 -5.722 6.613 7.051 1.00 0.00 H new ATOM 129 N VAL A 8 0.326 5.712 10.016 1.00 0.00 N ATOM 130 CA VAL A 8 1.348 6.342 10.901 1.00 0.00 C ATOM 131 C VAL A 8 2.583 5.448 10.955 1.00 0.00 C ATOM 132 O VAL A 8 3.703 5.905 10.831 1.00 0.00 O ATOM 133 CB VAL A 8 0.768 6.520 12.308 1.00 0.00 C ATOM 134 CG1 VAL A 8 1.870 6.977 13.267 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.344 7.571 12.267 1.00 0.00 C ATOM 0 H VAL A 8 -0.443 5.246 10.497 1.00 0.00 H new ATOM 0 HA VAL A 8 1.626 7.319 10.506 1.00 0.00 H new ATOM 0 HB VAL A 8 0.362 5.570 12.656 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.454 7.102 14.266 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.662 6.228 13.295 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.281 7.926 12.923 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.759 7.700 13.266 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.064 8.519 11.918 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.130 7.243 11.587 1.00 0.00 H new ATOM 145 N ALA A 9 2.387 4.176 11.137 1.00 0.00 N ATOM 146 CA ALA A 9 3.547 3.247 11.197 1.00 0.00 C ATOM 147 C ALA A 9 4.322 3.313 9.878 1.00 0.00 C ATOM 148 O ALA A 9 5.528 3.148 9.845 1.00 0.00 O ATOM 149 CB ALA A 9 3.043 1.818 11.419 1.00 0.00 C ATOM 0 H ALA A 9 1.473 3.737 11.247 1.00 0.00 H new ATOM 0 HA ALA A 9 4.202 3.535 12.019 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.892 1.136 11.463 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.489 1.769 12.356 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.389 1.531 10.596 1.00 0.00 H new ATOM 155 N LEU A 10 3.643 3.539 8.784 1.00 0.00 N ATOM 156 CA LEU A 10 4.345 3.588 7.470 1.00 0.00 C ATOM 157 C LEU A 10 5.030 4.949 7.268 1.00 0.00 C ATOM 158 O LEU A 10 6.178 5.006 6.899 1.00 0.00 O ATOM 159 CB LEU A 10 3.311 3.327 6.355 1.00 0.00 C ATOM 160 CG LEU A 10 3.202 1.801 6.059 1.00 0.00 C ATOM 161 CD1 LEU A 10 1.750 1.417 5.759 1.00 0.00 C ATOM 162 CD2 LEU A 10 4.073 1.445 4.847 1.00 0.00 C ATOM 0 H LEU A 10 2.635 3.691 8.745 1.00 0.00 H new ATOM 0 HA LEU A 10 5.122 2.824 7.439 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.338 3.716 6.655 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.602 3.859 5.449 1.00 0.00 H new ATOM 0 HG LEU A 10 3.544 1.253 6.937 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.691 0.348 5.554 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.125 1.657 6.619 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.399 1.973 4.889 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.994 0.377 4.643 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.733 2.007 3.977 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.112 1.698 5.059 1.00 0.00 H new ATOM 174 N ILE A 11 4.345 6.035 7.502 1.00 0.00 N ATOM 175 CA ILE A 11 4.973 7.382 7.304 1.00 0.00 C ATOM 176 C ILE A 11 6.371 7.389 7.929 1.00 0.00 C ATOM 177 O ILE A 11 7.267 8.064 7.465 1.00 0.00 O ATOM 178 CB ILE A 11 4.093 8.459 7.963 1.00 0.00 C ATOM 179 CG1 ILE A 11 2.870 8.718 7.078 1.00 0.00 C ATOM 180 CG2 ILE A 11 4.879 9.767 8.126 1.00 0.00 C ATOM 181 CD1 ILE A 11 1.805 9.472 7.877 1.00 0.00 C ATOM 0 H ILE A 11 3.377 6.052 7.822 1.00 0.00 H new ATOM 0 HA ILE A 11 5.059 7.595 6.239 1.00 0.00 H new ATOM 0 HB ILE A 11 3.781 8.107 8.946 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.160 9.298 6.202 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.465 7.773 6.715 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.242 10.518 8.593 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.753 9.591 8.753 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.201 10.122 7.147 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.937 9.654 7.244 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.507 8.875 8.739 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.212 10.424 8.218 1.00 0.00 H new ATOM 193 N ASP A 12 6.566 6.633 8.969 1.00 0.00 N ATOM 194 CA ASP A 12 7.911 6.592 9.605 1.00 0.00 C ATOM 195 C ASP A 12 8.846 5.760 8.727 1.00 0.00 C ATOM 196 O ASP A 12 9.952 6.162 8.424 1.00 0.00 O ATOM 197 CB ASP A 12 7.808 5.960 10.994 1.00 0.00 C ATOM 198 CG ASP A 12 9.158 6.068 11.706 1.00 0.00 C ATOM 199 OD1 ASP A 12 9.957 5.158 11.560 1.00 0.00 O ATOM 200 OD2 ASP A 12 9.371 7.061 12.382 1.00 0.00 O ATOM 0 H ASP A 12 5.857 6.044 9.406 1.00 0.00 H new ATOM 0 HA ASP A 12 8.302 7.604 9.707 1.00 0.00 H new ATOM 0 HB2 ASP A 12 7.036 6.462 11.577 1.00 0.00 H new ATOM 0 HB3 ASP A 12 7.513 4.914 10.908 1.00 0.00 H new ATOM 205 N VAL A 13 8.404 4.607 8.308 1.00 0.00 N ATOM 206 CA VAL A 13 9.259 3.750 7.438 1.00 0.00 C ATOM 207 C VAL A 13 9.253 4.316 6.015 1.00 0.00 C ATOM 208 O VAL A 13 10.180 4.116 5.255 1.00 0.00 O ATOM 209 CB VAL A 13 8.731 2.303 7.425 1.00 0.00 C ATOM 210 CG1 VAL A 13 9.806 1.373 6.859 1.00 0.00 C ATOM 211 CG2 VAL A 13 8.387 1.863 8.852 1.00 0.00 C ATOM 0 H VAL A 13 7.487 4.220 8.530 1.00 0.00 H new ATOM 0 HA VAL A 13 10.276 3.744 7.829 1.00 0.00 H new ATOM 0 HB VAL A 13 7.836 2.255 6.804 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.433 0.349 6.850 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.053 1.679 5.842 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.699 1.428 7.481 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.014 0.839 8.837 1.00 0.00 H new ATOM 0 HG22 VAL A 13 9.281 1.915 9.474 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.621 2.522 9.261 1.00 0.00 H new ATOM 221 N PHE A 14 8.211 5.011 5.646 1.00 0.00 N ATOM 222 CA PHE A 14 8.151 5.571 4.263 1.00 0.00 C ATOM 223 C PHE A 14 9.141 6.737 4.125 1.00 0.00 C ATOM 224 O PHE A 14 9.926 6.783 3.202 1.00 0.00 O ATOM 225 CB PHE A 14 6.707 6.058 3.953 1.00 0.00 C ATOM 226 CG PHE A 14 6.033 5.130 2.961 1.00 0.00 C ATOM 227 CD1 PHE A 14 6.087 3.746 3.157 1.00 0.00 C ATOM 228 CD2 PHE A 14 5.364 5.655 1.846 1.00 0.00 C ATOM 229 CE1 PHE A 14 5.475 2.885 2.241 1.00 0.00 C ATOM 230 CE2 PHE A 14 4.753 4.793 0.930 1.00 0.00 C ATOM 231 CZ PHE A 14 4.809 3.408 1.128 1.00 0.00 C ATOM 0 H PHE A 14 7.404 5.215 6.236 1.00 0.00 H new ATOM 0 HA PHE A 14 8.423 4.792 3.551 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.126 6.099 4.874 1.00 0.00 H new ATOM 0 HB3 PHE A 14 6.737 7.070 3.550 1.00 0.00 H new ATOM 0 HD1 PHE A 14 6.602 3.342 4.016 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.321 6.724 1.695 1.00 0.00 H new ATOM 0 HE1 PHE A 14 5.517 1.817 2.393 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.238 5.195 0.070 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.337 2.743 0.420 1.00 0.00 H new ATOM 241 N HIS A 15 9.092 7.691 5.009 1.00 0.00 N ATOM 242 CA HIS A 15 10.014 8.857 4.885 1.00 0.00 C ATOM 243 C HIS A 15 11.442 8.466 5.296 1.00 0.00 C ATOM 244 O HIS A 15 12.403 9.065 4.855 1.00 0.00 O ATOM 245 CB HIS A 15 9.497 10.005 5.778 1.00 0.00 C ATOM 246 CG HIS A 15 9.784 11.347 5.145 1.00 0.00 C ATOM 247 ND1 HIS A 15 9.143 12.503 5.559 1.00 0.00 N ATOM 248 CD2 HIS A 15 10.621 11.731 4.121 1.00 0.00 C ATOM 249 CE1 HIS A 15 9.594 13.516 4.797 1.00 0.00 C ATOM 250 NE2 HIS A 15 10.495 13.100 3.905 1.00 0.00 N ATOM 0 H HIS A 15 8.459 7.717 5.808 1.00 0.00 H new ATOM 0 HA HIS A 15 10.041 9.184 3.846 1.00 0.00 H new ATOM 0 HB2 HIS A 15 8.424 9.894 5.936 1.00 0.00 H new ATOM 0 HB3 HIS A 15 9.971 9.951 6.758 1.00 0.00 H new ATOM 0 HD1 HIS A 15 8.453 12.574 6.307 1.00 0.00 H new ATOM 0 HD2 HIS A 15 11.275 11.071 3.570 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.267 14.541 4.895 1.00 0.00 H new ATOM 258 N GLN A 16 11.597 7.482 6.139 1.00 0.00 N ATOM 259 CA GLN A 16 12.952 7.082 6.570 1.00 0.00 C ATOM 260 C GLN A 16 13.725 6.471 5.392 1.00 0.00 C ATOM 261 O GLN A 16 14.899 6.731 5.202 1.00 0.00 O ATOM 262 CB GLN A 16 12.809 6.059 7.702 1.00 0.00 C ATOM 263 CG GLN A 16 14.163 5.419 7.986 1.00 0.00 C ATOM 264 CD GLN A 16 14.158 4.774 9.374 1.00 0.00 C ATOM 265 OE1 GLN A 16 13.113 4.559 9.954 1.00 0.00 O ATOM 266 NE2 GLN A 16 15.293 4.456 9.936 1.00 0.00 N ATOM 0 H GLN A 16 10.835 6.940 6.546 1.00 0.00 H new ATOM 0 HA GLN A 16 13.507 7.952 6.921 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.430 6.546 8.600 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.084 5.293 7.425 1.00 0.00 H new ATOM 0 HG2 GLN A 16 14.385 4.668 7.228 1.00 0.00 H new ATOM 0 HG3 GLN A 16 14.949 6.172 7.929 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.171 4.636 9.449 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.301 4.027 10.862 1.00 0.00 H new ATOM 275 N TYR A 17 13.078 5.669 4.590 1.00 0.00 N ATOM 276 CA TYR A 17 13.779 5.049 3.424 1.00 0.00 C ATOM 277 C TYR A 17 13.608 5.938 2.201 1.00 0.00 C ATOM 278 O TYR A 17 14.571 6.396 1.620 1.00 0.00 O ATOM 279 CB TYR A 17 13.189 3.663 3.153 1.00 0.00 C ATOM 280 CG TYR A 17 13.712 2.690 4.185 1.00 0.00 C ATOM 281 CD1 TYR A 17 13.210 2.717 5.490 1.00 0.00 C ATOM 282 CD2 TYR A 17 14.708 1.767 3.838 1.00 0.00 C ATOM 283 CE1 TYR A 17 13.700 1.822 6.450 1.00 0.00 C ATOM 284 CE2 TYR A 17 15.199 0.873 4.798 1.00 0.00 C ATOM 285 CZ TYR A 17 14.695 0.901 6.103 1.00 0.00 C ATOM 286 OH TYR A 17 15.180 0.021 7.050 1.00 0.00 O ATOM 0 H TYR A 17 12.095 5.415 4.690 1.00 0.00 H new ATOM 0 HA TYR A 17 14.841 4.946 3.645 1.00 0.00 H new ATOM 0 HB2 TYR A 17 12.100 3.704 3.193 1.00 0.00 H new ATOM 0 HB3 TYR A 17 13.459 3.329 2.151 1.00 0.00 H new ATOM 0 HD1 TYR A 17 12.443 3.429 5.758 1.00 0.00 H new ATOM 0 HD2 TYR A 17 15.097 1.745 2.831 1.00 0.00 H new ATOM 0 HE1 TYR A 17 13.310 1.843 7.457 1.00 0.00 H new ATOM 0 HE2 TYR A 17 15.967 0.162 4.531 1.00 0.00 H new ATOM 0 HH TYR A 17 15.941 -0.472 6.679 1.00 0.00 H new ATOM 296 N SER A 18 12.400 6.199 1.806 1.00 0.00 N ATOM 297 CA SER A 18 12.196 7.073 0.627 1.00 0.00 C ATOM 298 C SER A 18 12.984 8.374 0.844 1.00 0.00 C ATOM 299 O SER A 18 13.331 9.070 -0.089 1.00 0.00 O ATOM 300 CB SER A 18 10.697 7.360 0.465 1.00 0.00 C ATOM 301 OG SER A 18 10.386 7.464 -0.916 1.00 0.00 O ATOM 0 H SER A 18 11.549 5.847 2.245 1.00 0.00 H new ATOM 0 HA SER A 18 12.552 6.588 -0.282 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.111 6.563 0.923 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.434 8.284 0.979 1.00 0.00 H new ATOM 0 HG SER A 18 9.425 7.326 -1.046 1.00 0.00 H new ATOM 307 N GLY A 19 13.268 8.698 2.084 1.00 0.00 N ATOM 308 CA GLY A 19 14.035 9.944 2.399 1.00 0.00 C ATOM 309 C GLY A 19 15.504 9.612 2.703 1.00 0.00 C ATOM 310 O GLY A 19 16.303 10.494 2.943 1.00 0.00 O ATOM 0 H GLY A 19 12.998 8.146 2.898 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.979 10.634 1.557 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.586 10.448 3.255 1.00 0.00 H new ATOM 314 N ARG A 20 15.873 8.357 2.691 1.00 0.00 N ATOM 315 CA ARG A 20 17.296 7.992 2.976 1.00 0.00 C ATOM 316 C ARG A 20 18.216 8.744 2.019 1.00 0.00 C ATOM 317 O ARG A 20 19.284 9.190 2.390 1.00 0.00 O ATOM 318 CB ARG A 20 17.470 6.477 2.781 1.00 0.00 C ATOM 319 CG ARG A 20 18.936 6.046 2.961 1.00 0.00 C ATOM 320 CD ARG A 20 19.085 4.605 2.476 1.00 0.00 C ATOM 321 NE ARG A 20 20.473 4.126 2.734 1.00 0.00 N ATOM 322 CZ ARG A 20 21.438 4.447 1.917 1.00 0.00 C ATOM 323 NH1 ARG A 20 21.195 5.213 0.890 1.00 0.00 N ATOM 324 NH2 ARG A 20 22.648 4.004 2.131 1.00 0.00 N ATOM 0 H ARG A 20 15.254 7.570 2.497 1.00 0.00 H new ATOM 0 HA ARG A 20 17.551 8.262 4.001 1.00 0.00 H new ATOM 0 HB2 ARG A 20 16.843 5.944 3.496 1.00 0.00 H new ATOM 0 HB3 ARG A 20 17.128 6.196 1.785 1.00 0.00 H new ATOM 0 HG2 ARG A 20 19.596 6.705 2.397 1.00 0.00 H new ATOM 0 HG3 ARG A 20 19.227 6.124 4.008 1.00 0.00 H new ATOM 0 HD2 ARG A 20 18.368 3.963 2.988 1.00 0.00 H new ATOM 0 HD3 ARG A 20 18.862 4.545 1.411 1.00 0.00 H new ATOM 0 HE ARG A 20 20.668 3.547 3.550 1.00 0.00 H new ATOM 0 HH11 ARG A 20 20.250 5.561 0.726 1.00 0.00 H new ATOM 0 HH12 ARG A 20 21.949 5.464 0.251 1.00 0.00 H new ATOM 0 HH21 ARG A 20 22.838 3.408 2.936 1.00 0.00 H new ATOM 0 HH22 ARG A 20 23.403 4.254 1.493 1.00 0.00 H new ATOM 338 N GLU A 21 17.818 8.886 0.789 1.00 0.00 N ATOM 339 CA GLU A 21 18.696 9.614 -0.179 1.00 0.00 C ATOM 340 C GLU A 21 17.941 9.965 -1.466 1.00 0.00 C ATOM 341 O GLU A 21 16.822 9.547 -1.683 1.00 0.00 O ATOM 342 CB GLU A 21 19.901 8.737 -0.525 1.00 0.00 C ATOM 343 CG GLU A 21 19.425 7.338 -0.917 1.00 0.00 C ATOM 344 CD GLU A 21 20.621 6.507 -1.385 1.00 0.00 C ATOM 345 OE1 GLU A 21 21.737 6.883 -1.069 1.00 0.00 O ATOM 346 OE2 GLU A 21 20.400 5.509 -2.051 1.00 0.00 O ATOM 0 H GLU A 21 16.937 8.537 0.411 1.00 0.00 H new ATOM 0 HA GLU A 21 19.022 10.543 0.289 1.00 0.00 H new ATOM 0 HB2 GLU A 21 20.464 9.183 -1.345 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.576 8.676 0.329 1.00 0.00 H new ATOM 0 HG2 GLU A 21 18.942 6.855 -0.067 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.681 7.404 -1.711 1.00 0.00 H new ATOM 353 N GLY A 22 18.570 10.733 -2.321 1.00 0.00 N ATOM 354 CA GLY A 22 17.932 11.128 -3.613 1.00 0.00 C ATOM 355 C GLY A 22 16.775 12.090 -3.364 1.00 0.00 C ATOM 356 O GLY A 22 16.793 12.880 -2.441 1.00 0.00 O ATOM 0 H GLY A 22 19.508 11.106 -2.176 1.00 0.00 H new ATOM 0 HA2 GLY A 22 18.671 11.598 -4.262 1.00 0.00 H new ATOM 0 HA3 GLY A 22 17.570 10.241 -4.133 1.00 0.00 H new ATOM 360 N ASP A 23 15.767 12.029 -4.195 1.00 0.00 N ATOM 361 CA ASP A 23 14.601 12.938 -4.026 1.00 0.00 C ATOM 362 C ASP A 23 14.160 12.935 -2.563 1.00 0.00 C ATOM 363 O ASP A 23 14.651 12.170 -1.756 1.00 0.00 O ATOM 364 CB ASP A 23 13.453 12.467 -4.917 1.00 0.00 C ATOM 365 CG ASP A 23 13.905 12.494 -6.379 1.00 0.00 C ATOM 366 OD1 ASP A 23 14.564 11.554 -6.793 1.00 0.00 O ATOM 367 OD2 ASP A 23 13.584 13.453 -7.060 1.00 0.00 O ATOM 0 H ASP A 23 15.704 11.386 -4.984 1.00 0.00 H new ATOM 0 HA ASP A 23 14.883 13.951 -4.313 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.150 11.458 -4.637 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.584 13.111 -4.781 1.00 0.00 H new ATOM 372 N LYS A 24 13.256 13.799 -2.209 1.00 0.00 N ATOM 373 CA LYS A 24 12.807 13.864 -0.794 1.00 0.00 C ATOM 374 C LYS A 24 11.881 12.682 -0.463 1.00 0.00 C ATOM 375 O LYS A 24 11.479 12.519 0.671 1.00 0.00 O ATOM 376 CB LYS A 24 12.068 15.206 -0.568 1.00 0.00 C ATOM 377 CG LYS A 24 12.500 15.851 0.760 1.00 0.00 C ATOM 378 CD LYS A 24 12.074 14.964 1.932 1.00 0.00 C ATOM 379 CE LYS A 24 12.252 15.734 3.242 1.00 0.00 C ATOM 380 NZ LYS A 24 13.692 16.075 3.425 1.00 0.00 N ATOM 0 H LYS A 24 12.807 14.464 -2.839 1.00 0.00 H new ATOM 0 HA LYS A 24 13.673 13.804 -0.135 1.00 0.00 H new ATOM 0 HB2 LYS A 24 12.279 15.886 -1.393 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.991 15.037 -0.562 1.00 0.00 H new ATOM 0 HG2 LYS A 24 13.581 15.990 0.772 1.00 0.00 H new ATOM 0 HG3 LYS A 24 12.050 16.839 0.858 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.034 14.661 1.814 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.672 14.053 1.949 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.651 16.643 3.227 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.900 15.133 4.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.851 16.397 4.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.274 15.234 3.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.956 16.832 2.763 1.00 0.00 H new ATOM 394 N HIS A 25 11.519 11.855 -1.417 1.00 0.00 N ATOM 395 CA HIS A 25 10.608 10.723 -1.059 1.00 0.00 C ATOM 396 C HIS A 25 10.456 9.708 -2.209 1.00 0.00 C ATOM 397 O HIS A 25 9.388 9.545 -2.767 1.00 0.00 O ATOM 398 CB HIS A 25 9.223 11.305 -0.665 1.00 0.00 C ATOM 399 CG HIS A 25 8.617 10.513 0.468 1.00 0.00 C ATOM 400 ND1 HIS A 25 8.538 11.015 1.762 1.00 0.00 N ATOM 401 CD2 HIS A 25 8.058 9.260 0.517 1.00 0.00 C ATOM 402 CE1 HIS A 25 7.950 10.076 2.526 1.00 0.00 C ATOM 403 NE2 HIS A 25 7.640 8.989 1.815 1.00 0.00 N ATOM 0 H HIS A 25 11.804 11.911 -2.395 1.00 0.00 H new ATOM 0 HA HIS A 25 11.045 10.181 -0.220 1.00 0.00 H new ATOM 0 HB2 HIS A 25 9.332 12.348 -0.369 1.00 0.00 H new ATOM 0 HB3 HIS A 25 8.556 11.286 -1.527 1.00 0.00 H new ATOM 0 HD2 HIS A 25 7.958 8.589 -0.323 1.00 0.00 H new ATOM 0 HE1 HIS A 25 7.753 10.188 3.582 1.00 0.00 H new ATOM 0 HE2 HIS A 25 7.191 8.138 2.153 1.00 0.00 H new ATOM 411 N LYS A 26 11.498 8.984 -2.540 1.00 0.00 N ATOM 412 CA LYS A 26 11.394 7.943 -3.612 1.00 0.00 C ATOM 413 C LYS A 26 12.235 6.744 -3.172 1.00 0.00 C ATOM 414 O LYS A 26 13.224 6.892 -2.482 1.00 0.00 O ATOM 415 CB LYS A 26 11.911 8.494 -4.950 1.00 0.00 C ATOM 416 CG LYS A 26 10.782 9.240 -5.672 1.00 0.00 C ATOM 417 CD LYS A 26 11.336 9.963 -6.904 1.00 0.00 C ATOM 418 CE LYS A 26 12.061 8.968 -7.818 1.00 0.00 C ATOM 419 NZ LYS A 26 12.138 9.529 -9.197 1.00 0.00 N ATOM 0 H LYS A 26 12.420 9.069 -2.112 1.00 0.00 H new ATOM 0 HA LYS A 26 10.354 7.650 -3.756 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.752 9.166 -4.777 1.00 0.00 H new ATOM 0 HB3 LYS A 26 12.278 7.678 -5.573 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.004 8.538 -5.971 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.319 9.959 -4.996 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.524 10.444 -7.449 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.022 10.751 -6.595 1.00 0.00 H new ATOM 0 HE2 LYS A 26 13.063 8.771 -7.437 1.00 0.00 H new ATOM 0 HE3 LYS A 26 11.531 8.015 -7.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.629 8.856 -9.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.177 9.696 -9.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 12.661 10.428 -9.178 1.00 0.00 H new ATOM 433 N LEU A 27 11.843 5.553 -3.544 1.00 0.00 N ATOM 434 CA LEU A 27 12.614 4.341 -3.114 1.00 0.00 C ATOM 435 C LEU A 27 13.625 3.915 -4.188 1.00 0.00 C ATOM 436 O LEU A 27 13.315 3.789 -5.355 1.00 0.00 O ATOM 437 CB LEU A 27 11.637 3.164 -2.861 1.00 0.00 C ATOM 438 CG LEU A 27 11.310 3.002 -1.362 1.00 0.00 C ATOM 439 CD1 LEU A 27 10.279 4.050 -0.942 1.00 0.00 C ATOM 440 CD2 LEU A 27 10.747 1.599 -1.136 1.00 0.00 C ATOM 0 H LEU A 27 11.026 5.364 -4.125 1.00 0.00 H new ATOM 0 HA LEU A 27 13.153 4.594 -2.201 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.715 3.331 -3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 27 12.075 2.240 -3.239 1.00 0.00 H new ATOM 0 HG LEU A 27 12.212 3.140 -0.766 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.051 3.932 0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.682 5.047 -1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.368 3.919 -1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.510 1.468 -0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.842 1.470 -1.730 1.00 0.00 H new ATOM 0 HD23 LEU A 27 11.487 0.857 -1.437 1.00 0.00 H new ATOM 452 N LYS A 28 14.819 3.636 -3.750 1.00 0.00 N ATOM 453 CA LYS A 28 15.893 3.140 -4.664 1.00 0.00 C ATOM 454 C LYS A 28 16.182 1.690 -4.283 1.00 0.00 C ATOM 455 O LYS A 28 15.930 1.288 -3.165 1.00 0.00 O ATOM 456 CB LYS A 28 17.169 3.957 -4.471 1.00 0.00 C ATOM 457 CG LYS A 28 16.860 5.443 -4.598 1.00 0.00 C ATOM 458 CD LYS A 28 18.167 6.227 -4.501 1.00 0.00 C ATOM 459 CE LYS A 28 17.873 7.723 -4.537 1.00 0.00 C ATOM 460 NZ LYS A 28 16.789 8.039 -3.564 1.00 0.00 N ATOM 0 H LYS A 28 15.105 3.732 -2.776 1.00 0.00 H new ATOM 0 HA LYS A 28 15.571 3.227 -5.702 1.00 0.00 H new ATOM 0 HB2 LYS A 28 17.599 3.749 -3.491 1.00 0.00 H new ATOM 0 HB3 LYS A 28 17.912 3.667 -5.214 1.00 0.00 H new ATOM 0 HG2 LYS A 28 16.368 5.646 -5.549 1.00 0.00 H new ATOM 0 HG3 LYS A 28 16.174 5.754 -3.811 1.00 0.00 H new ATOM 0 HD2 LYS A 28 18.688 5.971 -3.578 1.00 0.00 H new ATOM 0 HD3 LYS A 28 18.827 5.956 -5.325 1.00 0.00 H new ATOM 0 HE2 LYS A 28 18.773 8.287 -4.292 1.00 0.00 H new ATOM 0 HE3 LYS A 28 17.573 8.022 -5.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 16.972 8.966 -3.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.875 8.064 -4.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 16.763 7.308 -2.824 1.00 0.00 H new ATOM 474 N LYS A 29 16.711 0.895 -5.175 1.00 0.00 N ATOM 475 CA LYS A 29 17.007 -0.522 -4.801 1.00 0.00 C ATOM 476 C LYS A 29 17.750 -0.529 -3.460 1.00 0.00 C ATOM 477 O LYS A 29 17.517 -1.366 -2.612 1.00 0.00 O ATOM 478 CB LYS A 29 17.879 -1.177 -5.873 1.00 0.00 C ATOM 479 CG LYS A 29 17.095 -1.277 -7.184 1.00 0.00 C ATOM 480 CD LYS A 29 17.788 -2.266 -8.126 1.00 0.00 C ATOM 481 CE LYS A 29 19.217 -1.794 -8.433 1.00 0.00 C ATOM 482 NZ LYS A 29 20.146 -2.294 -7.378 1.00 0.00 N ATOM 0 H LYS A 29 16.948 1.158 -6.132 1.00 0.00 H new ATOM 0 HA LYS A 29 16.075 -1.082 -4.718 1.00 0.00 H new ATOM 0 HB2 LYS A 29 18.787 -0.593 -6.024 1.00 0.00 H new ATOM 0 HB3 LYS A 29 18.189 -2.170 -5.547 1.00 0.00 H new ATOM 0 HG2 LYS A 29 16.075 -1.604 -6.985 1.00 0.00 H new ATOM 0 HG3 LYS A 29 17.029 -0.296 -7.655 1.00 0.00 H new ATOM 0 HD2 LYS A 29 17.814 -3.256 -7.670 1.00 0.00 H new ATOM 0 HD3 LYS A 29 17.220 -2.356 -9.052 1.00 0.00 H new ATOM 0 HE2 LYS A 29 19.530 -2.160 -9.411 1.00 0.00 H new ATOM 0 HE3 LYS A 29 19.250 -0.705 -8.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 20.432 -1.504 -6.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 19.666 -3.019 -6.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 20.989 -2.708 -7.825 1.00 0.00 H new ATOM 496 N SER A 30 18.629 0.417 -3.266 1.00 0.00 N ATOM 497 CA SER A 30 19.376 0.492 -1.980 1.00 0.00 C ATOM 498 C SER A 30 18.376 0.523 -0.823 1.00 0.00 C ATOM 499 O SER A 30 18.712 0.242 0.306 1.00 0.00 O ATOM 500 CB SER A 30 20.222 1.766 -1.953 1.00 0.00 C ATOM 501 OG SER A 30 21.057 1.799 -3.104 1.00 0.00 O ATOM 0 H SER A 30 18.862 1.142 -3.945 1.00 0.00 H new ATOM 0 HA SER A 30 20.028 -0.376 -1.883 1.00 0.00 H new ATOM 0 HB2 SER A 30 19.577 2.644 -1.932 1.00 0.00 H new ATOM 0 HB3 SER A 30 20.829 1.794 -1.048 1.00 0.00 H new ATOM 0 HG SER A 30 21.600 2.615 -3.091 1.00 0.00 H new ATOM 507 N GLU A 31 17.140 0.846 -1.106 1.00 0.00 N ATOM 508 CA GLU A 31 16.097 0.881 -0.037 1.00 0.00 C ATOM 509 C GLU A 31 15.277 -0.398 -0.114 1.00 0.00 C ATOM 510 O GLU A 31 14.964 -1.009 0.884 1.00 0.00 O ATOM 511 CB GLU A 31 15.188 2.095 -0.243 1.00 0.00 C ATOM 512 CG GLU A 31 15.980 3.372 0.051 1.00 0.00 C ATOM 513 CD GLU A 31 15.143 4.594 -0.325 1.00 0.00 C ATOM 514 OE1 GLU A 31 13.965 4.598 -0.011 1.00 0.00 O ATOM 515 OE2 GLU A 31 15.694 5.504 -0.922 1.00 0.00 O ATOM 0 H GLU A 31 16.806 1.089 -2.039 1.00 0.00 H new ATOM 0 HA GLU A 31 16.570 0.958 0.942 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.812 2.113 -1.266 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.321 2.031 0.414 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.245 3.412 1.107 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.913 3.371 -0.512 1.00 0.00 H new ATOM 522 N LEU A 32 14.931 -0.816 -1.293 1.00 0.00 N ATOM 523 CA LEU A 32 14.135 -2.061 -1.419 1.00 0.00 C ATOM 524 C LEU A 32 14.974 -3.240 -0.917 1.00 0.00 C ATOM 525 O LEU A 32 14.531 -4.022 -0.101 1.00 0.00 O ATOM 526 CB LEU A 32 13.709 -2.249 -2.900 1.00 0.00 C ATOM 527 CG LEU A 32 12.225 -2.653 -3.001 1.00 0.00 C ATOM 528 CD1 LEU A 32 11.758 -2.599 -4.464 1.00 0.00 C ATOM 529 CD2 LEU A 32 12.052 -4.074 -2.467 1.00 0.00 C ATOM 0 H LEU A 32 15.163 -0.353 -2.171 1.00 0.00 H new ATOM 0 HA LEU A 32 13.230 -2.004 -0.814 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.876 -1.323 -3.450 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.330 -3.013 -3.367 1.00 0.00 H new ATOM 0 HG LEU A 32 11.626 -1.959 -2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.708 -2.887 -4.522 1.00 0.00 H new ATOM 0 HD12 LEU A 32 11.878 -1.586 -4.847 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.356 -3.286 -5.062 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.004 -4.364 -2.537 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.658 -4.761 -3.057 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.371 -4.113 -1.425 1.00 0.00 H new ATOM 541 N LYS A 33 16.184 -3.368 -1.377 1.00 0.00 N ATOM 542 CA LYS A 33 17.035 -4.482 -0.902 1.00 0.00 C ATOM 543 C LYS A 33 17.356 -4.272 0.583 1.00 0.00 C ATOM 544 O LYS A 33 17.413 -5.205 1.358 1.00 0.00 O ATOM 545 CB LYS A 33 18.321 -4.473 -1.730 1.00 0.00 C ATOM 546 CG LYS A 33 18.996 -5.847 -1.690 1.00 0.00 C ATOM 547 CD LYS A 33 20.377 -5.749 -2.366 1.00 0.00 C ATOM 548 CE LYS A 33 21.448 -5.386 -1.330 1.00 0.00 C ATOM 549 NZ LYS A 33 22.758 -5.185 -2.015 1.00 0.00 N ATOM 0 H LYS A 33 16.618 -2.748 -2.061 1.00 0.00 H new ATOM 0 HA LYS A 33 16.527 -5.440 -1.015 1.00 0.00 H new ATOM 0 HB2 LYS A 33 18.094 -4.203 -2.761 1.00 0.00 H new ATOM 0 HB3 LYS A 33 19.003 -3.715 -1.345 1.00 0.00 H new ATOM 0 HG2 LYS A 33 19.105 -6.183 -0.659 1.00 0.00 H new ATOM 0 HG3 LYS A 33 18.378 -6.585 -2.202 1.00 0.00 H new ATOM 0 HD2 LYS A 33 20.626 -6.698 -2.840 1.00 0.00 H new ATOM 0 HD3 LYS A 33 20.352 -4.996 -3.154 1.00 0.00 H new ATOM 0 HE2 LYS A 33 21.161 -4.479 -0.798 1.00 0.00 H new ATOM 0 HE3 LYS A 33 21.533 -6.178 -0.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 23.483 -4.939 -1.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 23.032 -6.061 -2.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 22.673 -4.414 -2.708 1.00 0.00 H new ATOM 563 N GLU A 34 17.592 -3.049 0.969 1.00 0.00 N ATOM 564 CA GLU A 34 17.940 -2.775 2.397 1.00 0.00 C ATOM 565 C GLU A 34 16.685 -2.826 3.265 1.00 0.00 C ATOM 566 O GLU A 34 16.736 -3.188 4.423 1.00 0.00 O ATOM 567 CB GLU A 34 18.588 -1.398 2.525 1.00 0.00 C ATOM 568 CG GLU A 34 19.080 -1.198 3.959 1.00 0.00 C ATOM 569 CD GLU A 34 19.932 0.071 4.031 1.00 0.00 C ATOM 570 OE1 GLU A 34 19.357 1.145 4.066 1.00 0.00 O ATOM 571 OE2 GLU A 34 21.146 -0.055 4.051 1.00 0.00 O ATOM 0 H GLU A 34 17.560 -2.229 0.363 1.00 0.00 H new ATOM 0 HA GLU A 34 18.642 -3.538 2.734 1.00 0.00 H new ATOM 0 HB2 GLU A 34 19.421 -1.310 1.828 1.00 0.00 H new ATOM 0 HB3 GLU A 34 17.870 -0.621 2.264 1.00 0.00 H new ATOM 0 HG2 GLU A 34 18.232 -1.119 4.639 1.00 0.00 H new ATOM 0 HG3 GLU A 34 19.665 -2.061 4.278 1.00 0.00 H new ATOM 578 N LEU A 35 15.560 -2.466 2.723 1.00 0.00 N ATOM 579 CA LEU A 35 14.309 -2.498 3.526 1.00 0.00 C ATOM 580 C LEU A 35 13.838 -3.953 3.657 1.00 0.00 C ATOM 581 O LEU A 35 13.203 -4.326 4.623 1.00 0.00 O ATOM 582 CB LEU A 35 13.244 -1.639 2.826 1.00 0.00 C ATOM 583 CG LEU A 35 11.939 -1.604 3.644 1.00 0.00 C ATOM 584 CD1 LEU A 35 12.088 -0.669 4.850 1.00 0.00 C ATOM 585 CD2 LEU A 35 10.804 -1.089 2.757 1.00 0.00 C ATOM 0 H LEU A 35 15.451 -2.151 1.759 1.00 0.00 H new ATOM 0 HA LEU A 35 14.483 -2.095 4.524 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.620 -0.625 2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.044 -2.040 1.832 1.00 0.00 H new ATOM 0 HG LEU A 35 11.718 -2.611 3.998 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.157 -0.656 5.417 1.00 0.00 H new ATOM 0 HD12 LEU A 35 12.897 -1.025 5.488 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.316 0.339 4.503 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.878 -1.062 3.331 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.043 -0.085 2.406 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.681 -1.753 1.901 1.00 0.00 H new ATOM 597 N ILE A 36 14.151 -4.776 2.693 1.00 0.00 N ATOM 598 CA ILE A 36 13.731 -6.208 2.756 1.00 0.00 C ATOM 599 C ILE A 36 14.629 -6.959 3.748 1.00 0.00 C ATOM 600 O ILE A 36 14.173 -7.778 4.520 1.00 0.00 O ATOM 601 CB ILE A 36 13.857 -6.830 1.356 1.00 0.00 C ATOM 602 CG1 ILE A 36 12.715 -6.319 0.474 1.00 0.00 C ATOM 603 CG2 ILE A 36 13.781 -8.359 1.437 1.00 0.00 C ATOM 604 CD1 ILE A 36 12.978 -6.708 -0.983 1.00 0.00 C ATOM 0 H ILE A 36 14.682 -4.518 1.861 1.00 0.00 H new ATOM 0 HA ILE A 36 12.696 -6.279 3.090 1.00 0.00 H new ATOM 0 HB ILE A 36 14.820 -6.546 0.931 1.00 0.00 H new ATOM 0 HG12 ILE A 36 11.767 -6.741 0.808 1.00 0.00 H new ATOM 0 HG13 ILE A 36 12.631 -5.236 0.562 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.872 -8.781 0.436 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.592 -8.731 2.063 1.00 0.00 H new ATOM 0 HG23 ILE A 36 12.825 -8.653 1.869 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.164 -6.343 -1.610 1.00 0.00 H new ATOM 0 HD12 ILE A 36 13.917 -6.265 -1.314 1.00 0.00 H new ATOM 0 HD13 ILE A 36 13.040 -7.793 -1.064 1.00 0.00 H new ATOM 616 N ASN A 37 15.905 -6.693 3.719 1.00 0.00 N ATOM 617 CA ASN A 37 16.844 -7.394 4.642 1.00 0.00 C ATOM 618 C ASN A 37 16.798 -6.751 6.033 1.00 0.00 C ATOM 619 O ASN A 37 17.167 -7.358 7.019 1.00 0.00 O ATOM 620 CB ASN A 37 18.266 -7.291 4.083 1.00 0.00 C ATOM 621 CG ASN A 37 19.245 -7.980 5.037 1.00 0.00 C ATOM 622 OD1 ASN A 37 19.054 -9.123 5.402 1.00 0.00 O ATOM 623 ND2 ASN A 37 20.296 -7.329 5.456 1.00 0.00 N ATOM 0 H ASN A 37 16.341 -6.017 3.092 1.00 0.00 H new ATOM 0 HA ASN A 37 16.550 -8.440 4.726 1.00 0.00 H new ATOM 0 HB2 ASN A 37 18.315 -7.756 3.098 1.00 0.00 H new ATOM 0 HB3 ASN A 37 18.542 -6.244 3.956 1.00 0.00 H new ATOM 0 HD21 ASN A 37 20.956 -7.780 6.089 1.00 0.00 H new ATOM 0 HD22 ASN A 37 20.457 -6.369 5.150 1.00 0.00 H new ATOM 630 N ASN A 38 16.392 -5.513 6.115 1.00 0.00 N ATOM 631 CA ASN A 38 16.369 -4.822 7.443 1.00 0.00 C ATOM 632 C ASN A 38 15.003 -4.959 8.128 1.00 0.00 C ATOM 633 O ASN A 38 14.932 -5.200 9.316 1.00 0.00 O ATOM 634 CB ASN A 38 16.680 -3.338 7.237 1.00 0.00 C ATOM 635 CG ASN A 38 16.836 -2.651 8.596 1.00 0.00 C ATOM 636 OD1 ASN A 38 17.677 -3.029 9.386 1.00 0.00 O ATOM 637 ND2 ASN A 38 16.057 -1.649 8.899 1.00 0.00 N ATOM 0 H ASN A 38 16.076 -4.950 5.326 1.00 0.00 H new ATOM 0 HA ASN A 38 17.117 -5.289 8.084 1.00 0.00 H new ATOM 0 HB2 ASN A 38 17.594 -3.225 6.655 1.00 0.00 H new ATOM 0 HB3 ASN A 38 15.880 -2.864 6.669 1.00 0.00 H new ATOM 0 HD21 ASN A 38 16.154 -1.182 9.801 1.00 0.00 H new ATOM 0 HD22 ASN A 38 15.351 -1.333 8.234 1.00 0.00 H new ATOM 644 N GLU A 39 13.921 -4.785 7.408 1.00 0.00 N ATOM 645 CA GLU A 39 12.563 -4.878 8.048 1.00 0.00 C ATOM 646 C GLU A 39 11.846 -6.163 7.627 1.00 0.00 C ATOM 647 O GLU A 39 11.576 -7.026 8.439 1.00 0.00 O ATOM 648 CB GLU A 39 11.721 -3.676 7.616 1.00 0.00 C ATOM 649 CG GLU A 39 12.422 -2.377 8.029 1.00 0.00 C ATOM 650 CD GLU A 39 12.552 -2.321 9.553 1.00 0.00 C ATOM 651 OE1 GLU A 39 13.514 -2.868 10.065 1.00 0.00 O ATOM 652 OE2 GLU A 39 11.688 -1.731 10.181 1.00 0.00 O ATOM 0 H GLU A 39 13.915 -4.583 6.408 1.00 0.00 H new ATOM 0 HA GLU A 39 12.691 -4.887 9.130 1.00 0.00 H new ATOM 0 HB2 GLU A 39 11.573 -3.693 6.536 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.733 -3.729 8.074 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.408 -2.323 7.568 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.855 -1.517 7.671 1.00 0.00 H new ATOM 659 N LEU A 40 11.517 -6.291 6.375 1.00 0.00 N ATOM 660 CA LEU A 40 10.795 -7.516 5.919 1.00 0.00 C ATOM 661 C LEU A 40 11.765 -8.708 5.914 1.00 0.00 C ATOM 662 O LEU A 40 11.617 -9.635 5.146 1.00 0.00 O ATOM 663 CB LEU A 40 10.212 -7.291 4.502 1.00 0.00 C ATOM 664 CG LEU A 40 9.903 -5.801 4.256 1.00 0.00 C ATOM 665 CD1 LEU A 40 9.274 -5.648 2.871 1.00 0.00 C ATOM 666 CD2 LEU A 40 8.918 -5.263 5.304 1.00 0.00 C ATOM 0 H LEU A 40 11.714 -5.605 5.647 1.00 0.00 H new ATOM 0 HA LEU A 40 9.972 -7.728 6.602 1.00 0.00 H new ATOM 0 HB2 LEU A 40 10.921 -7.646 3.754 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.301 -7.878 4.383 1.00 0.00 H new ATOM 0 HG LEU A 40 10.833 -5.238 4.326 1.00 0.00 H new ATOM 0 HD11 LEU A 40 9.051 -4.597 2.687 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.969 -6.010 2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.352 -6.228 2.824 1.00 0.00 H new ATOM 0 HD21 LEU A 40 8.717 -4.210 5.108 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.986 -5.826 5.251 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.351 -5.370 6.299 1.00 0.00 H new ATOM 678 N SER A 41 12.758 -8.690 6.763 1.00 0.00 N ATOM 679 CA SER A 41 13.735 -9.817 6.796 1.00 0.00 C ATOM 680 C SER A 41 13.159 -11.012 7.568 1.00 0.00 C ATOM 681 O SER A 41 13.648 -12.118 7.460 1.00 0.00 O ATOM 682 CB SER A 41 15.022 -9.338 7.479 1.00 0.00 C ATOM 683 OG SER A 41 15.024 -9.751 8.842 1.00 0.00 O ATOM 0 H SER A 41 12.935 -7.943 7.435 1.00 0.00 H new ATOM 0 HA SER A 41 13.946 -10.136 5.775 1.00 0.00 H new ATOM 0 HB2 SER A 41 15.892 -9.746 6.964 1.00 0.00 H new ATOM 0 HB3 SER A 41 15.095 -8.252 7.418 1.00 0.00 H new ATOM 0 HG SER A 41 15.848 -9.445 9.275 1.00 0.00 H new ATOM 689 N HIS A 42 12.136 -10.804 8.360 1.00 0.00 N ATOM 690 CA HIS A 42 11.554 -11.939 9.147 1.00 0.00 C ATOM 691 C HIS A 42 10.370 -12.554 8.396 1.00 0.00 C ATOM 692 O HIS A 42 10.044 -13.709 8.590 1.00 0.00 O ATOM 693 CB HIS A 42 11.073 -11.422 10.504 1.00 0.00 C ATOM 694 CG HIS A 42 10.642 -12.578 11.370 1.00 0.00 C ATOM 695 ND1 HIS A 42 9.572 -12.480 12.250 1.00 0.00 N ATOM 696 CD2 HIS A 42 11.122 -13.859 11.507 1.00 0.00 C ATOM 697 CE1 HIS A 42 9.445 -13.668 12.870 1.00 0.00 C ATOM 698 NE2 HIS A 42 10.364 -14.540 12.452 1.00 0.00 N ATOM 0 H HIS A 42 11.679 -9.902 8.496 1.00 0.00 H new ATOM 0 HA HIS A 42 12.321 -12.700 9.288 1.00 0.00 H new ATOM 0 HB2 HIS A 42 11.872 -10.866 10.995 1.00 0.00 H new ATOM 0 HB3 HIS A 42 10.242 -10.730 10.366 1.00 0.00 H new ATOM 0 HD2 HIS A 42 11.959 -14.272 10.964 1.00 0.00 H new ATOM 0 HE1 HIS A 42 8.693 -13.888 13.613 1.00 0.00 H new ATOM 0 HE2 HIS A 42 10.485 -15.504 12.761 1.00 0.00 H new ATOM 707 N PHE A 43 9.721 -11.798 7.544 1.00 0.00 N ATOM 708 CA PHE A 43 8.549 -12.343 6.781 1.00 0.00 C ATOM 709 C PHE A 43 8.942 -12.516 5.313 1.00 0.00 C ATOM 710 O PHE A 43 8.422 -13.374 4.626 1.00 0.00 O ATOM 711 CB PHE A 43 7.375 -11.358 6.878 1.00 0.00 C ATOM 712 CG PHE A 43 6.675 -11.522 8.211 1.00 0.00 C ATOM 713 CD1 PHE A 43 5.978 -12.704 8.492 1.00 0.00 C ATOM 714 CD2 PHE A 43 6.719 -10.495 9.163 1.00 0.00 C ATOM 715 CE1 PHE A 43 5.326 -12.858 9.722 1.00 0.00 C ATOM 716 CE2 PHE A 43 6.068 -10.650 10.392 1.00 0.00 C ATOM 717 CZ PHE A 43 5.372 -11.831 10.671 1.00 0.00 C ATOM 0 H PHE A 43 9.951 -10.825 7.342 1.00 0.00 H new ATOM 0 HA PHE A 43 8.254 -13.305 7.200 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.737 -10.335 6.770 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.672 -11.535 6.064 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.943 -13.497 7.760 1.00 0.00 H new ATOM 0 HD2 PHE A 43 7.256 -9.583 8.948 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.788 -13.769 9.938 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.103 -9.858 11.125 1.00 0.00 H new ATOM 0 HZ PHE A 43 4.870 -11.950 11.620 1.00 0.00 H new ATOM 727 N LEU A 44 9.865 -11.718 4.831 1.00 0.00 N ATOM 728 CA LEU A 44 10.313 -11.839 3.407 1.00 0.00 C ATOM 729 C LEU A 44 11.766 -12.317 3.385 1.00 0.00 C ATOM 730 O LEU A 44 12.626 -11.747 4.027 1.00 0.00 O ATOM 731 CB LEU A 44 10.190 -10.472 2.708 1.00 0.00 C ATOM 732 CG LEU A 44 10.042 -10.661 1.185 1.00 0.00 C ATOM 733 CD1 LEU A 44 8.698 -11.346 0.845 1.00 0.00 C ATOM 734 CD2 LEU A 44 10.121 -9.286 0.504 1.00 0.00 C ATOM 0 H LEU A 44 10.330 -10.984 5.366 1.00 0.00 H new ATOM 0 HA LEU A 44 9.687 -12.558 2.878 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.328 -9.932 3.100 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.070 -9.866 2.922 1.00 0.00 H new ATOM 0 HG LEU A 44 10.846 -11.301 0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.615 -11.469 -0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.656 -12.323 1.326 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.874 -10.729 1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 44 10.017 -9.408 -0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.319 -8.649 0.876 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.083 -8.825 0.726 1.00 0.00 H new ATOM 746 N GLU A 45 12.046 -13.365 2.660 1.00 0.00 N ATOM 747 CA GLU A 45 13.443 -13.881 2.612 1.00 0.00 C ATOM 748 C GLU A 45 14.403 -12.724 2.320 1.00 0.00 C ATOM 749 O GLU A 45 14.187 -11.938 1.418 1.00 0.00 O ATOM 750 CB GLU A 45 13.565 -14.941 1.507 1.00 0.00 C ATOM 751 CG GLU A 45 12.785 -14.496 0.257 1.00 0.00 C ATOM 752 CD GLU A 45 11.306 -14.873 0.399 1.00 0.00 C ATOM 753 OE1 GLU A 45 10.920 -15.280 1.482 1.00 0.00 O ATOM 754 OE2 GLU A 45 10.587 -14.749 -0.580 1.00 0.00 O ATOM 0 H GLU A 45 11.370 -13.885 2.100 1.00 0.00 H new ATOM 0 HA GLU A 45 13.696 -14.331 3.572 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.614 -15.095 1.255 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.180 -15.896 1.865 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.883 -13.419 0.122 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.205 -14.968 -0.631 1.00 0.00 H new ATOM 761 N GLU A 46 15.463 -12.617 3.074 1.00 0.00 N ATOM 762 CA GLU A 46 16.437 -11.515 2.834 1.00 0.00 C ATOM 763 C GLU A 46 17.121 -11.745 1.485 1.00 0.00 C ATOM 764 O GLU A 46 18.020 -12.554 1.366 1.00 0.00 O ATOM 765 CB GLU A 46 17.486 -11.503 3.958 1.00 0.00 C ATOM 766 CG GLU A 46 17.826 -12.943 4.364 1.00 0.00 C ATOM 767 CD GLU A 46 19.145 -12.959 5.141 1.00 0.00 C ATOM 768 OE1 GLU A 46 19.374 -12.030 5.898 1.00 0.00 O ATOM 769 OE2 GLU A 46 19.901 -13.900 4.968 1.00 0.00 O ATOM 0 H GLU A 46 15.696 -13.244 3.844 1.00 0.00 H new ATOM 0 HA GLU A 46 15.920 -10.556 2.823 1.00 0.00 H new ATOM 0 HB2 GLU A 46 18.386 -10.987 3.623 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.105 -10.953 4.818 1.00 0.00 H new ATOM 0 HG2 GLU A 46 17.026 -13.357 4.977 1.00 0.00 H new ATOM 0 HG3 GLU A 46 17.907 -13.572 3.478 1.00 0.00 H new ATOM 776 N ILE A 47 16.700 -11.053 0.462 1.00 0.00 N ATOM 777 CA ILE A 47 17.330 -11.259 -0.868 1.00 0.00 C ATOM 778 C ILE A 47 18.806 -10.856 -0.812 1.00 0.00 C ATOM 779 O ILE A 47 19.172 -9.861 -0.217 1.00 0.00 O ATOM 780 CB ILE A 47 16.604 -10.430 -1.937 1.00 0.00 C ATOM 781 CG1 ILE A 47 16.546 -8.955 -1.531 1.00 0.00 C ATOM 782 CG2 ILE A 47 15.177 -10.951 -2.105 1.00 0.00 C ATOM 783 CD1 ILE A 47 16.044 -8.130 -2.721 1.00 0.00 C ATOM 0 H ILE A 47 15.953 -10.359 0.491 1.00 0.00 H new ATOM 0 HA ILE A 47 17.255 -12.314 -1.132 1.00 0.00 H new ATOM 0 HB ILE A 47 17.153 -10.521 -2.874 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.882 -8.826 -0.676 1.00 0.00 H new ATOM 0 HG13 ILE A 47 17.533 -8.610 -1.223 1.00 0.00 H new ATOM 0 HG21 ILE A 47 14.662 -10.362 -2.864 1.00 0.00 H new ATOM 0 HG22 ILE A 47 15.205 -11.996 -2.414 1.00 0.00 H new ATOM 0 HG23 ILE A 47 14.645 -10.867 -1.157 1.00 0.00 H new ATOM 0 HD11 ILE A 47 15.999 -7.078 -2.441 1.00 0.00 H new ATOM 0 HD12 ILE A 47 16.726 -8.253 -3.563 1.00 0.00 H new ATOM 0 HD13 ILE A 47 15.049 -8.472 -3.007 1.00 0.00 H new ATOM 795 N LYS A 48 19.656 -11.627 -1.438 1.00 0.00 N ATOM 796 CA LYS A 48 21.117 -11.309 -1.451 1.00 0.00 C ATOM 797 C LYS A 48 21.474 -10.800 -2.844 1.00 0.00 C ATOM 798 O LYS A 48 22.495 -10.174 -3.052 1.00 0.00 O ATOM 799 CB LYS A 48 21.917 -12.579 -1.152 1.00 0.00 C ATOM 800 CG LYS A 48 21.428 -13.191 0.163 1.00 0.00 C ATOM 801 CD LYS A 48 22.221 -14.469 0.468 1.00 0.00 C ATOM 802 CE LYS A 48 21.920 -15.549 -0.583 1.00 0.00 C ATOM 803 NZ LYS A 48 22.161 -16.894 0.010 1.00 0.00 N ATOM 0 H LYS A 48 19.399 -12.473 -1.947 1.00 0.00 H new ATOM 0 HA LYS A 48 21.351 -10.556 -0.698 1.00 0.00 H new ATOM 0 HB2 LYS A 48 21.800 -13.296 -1.965 1.00 0.00 H new ATOM 0 HB3 LYS A 48 22.979 -12.345 -1.084 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.549 -12.474 0.975 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.364 -13.419 0.095 1.00 0.00 H new ATOM 0 HD2 LYS A 48 23.288 -14.249 0.477 1.00 0.00 H new ATOM 0 HD3 LYS A 48 21.963 -14.837 1.461 1.00 0.00 H new ATOM 0 HE2 LYS A 48 20.886 -15.467 -0.919 1.00 0.00 H new ATOM 0 HE3 LYS A 48 22.553 -15.406 -1.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 21.958 -17.627 -0.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 23.154 -16.968 0.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 21.539 -17.027 0.833 1.00 0.00 H new ATOM 817 N GLU A 49 20.619 -11.068 -3.799 1.00 0.00 N ATOM 818 CA GLU A 49 20.855 -10.617 -5.204 1.00 0.00 C ATOM 819 C GLU A 49 19.760 -9.627 -5.593 1.00 0.00 C ATOM 820 O GLU A 49 18.596 -9.831 -5.310 1.00 0.00 O ATOM 821 CB GLU A 49 20.798 -11.824 -6.142 1.00 0.00 C ATOM 822 CG GLU A 49 22.015 -12.719 -5.898 1.00 0.00 C ATOM 823 CD GLU A 49 21.975 -13.907 -6.861 1.00 0.00 C ATOM 824 OE1 GLU A 49 21.891 -13.674 -8.055 1.00 0.00 O ATOM 825 OE2 GLU A 49 22.029 -15.029 -6.387 1.00 0.00 O ATOM 0 H GLU A 49 19.753 -11.589 -3.661 1.00 0.00 H new ATOM 0 HA GLU A 49 21.833 -10.143 -5.281 1.00 0.00 H new ATOM 0 HB2 GLU A 49 19.880 -12.387 -5.972 1.00 0.00 H new ATOM 0 HB3 GLU A 49 20.781 -11.491 -7.180 1.00 0.00 H new ATOM 0 HG2 GLU A 49 22.933 -12.150 -6.043 1.00 0.00 H new ATOM 0 HG3 GLU A 49 22.019 -13.073 -4.867 1.00 0.00 H new ATOM 832 N GLN A 50 20.118 -8.555 -6.236 1.00 0.00 N ATOM 833 CA GLN A 50 19.094 -7.554 -6.637 1.00 0.00 C ATOM 834 C GLN A 50 18.285 -8.089 -7.821 1.00 0.00 C ATOM 835 O GLN A 50 17.214 -7.608 -8.122 1.00 0.00 O ATOM 836 CB GLN A 50 19.796 -6.258 -7.050 1.00 0.00 C ATOM 837 CG GLN A 50 20.744 -6.547 -8.217 1.00 0.00 C ATOM 838 CD GLN A 50 21.663 -5.344 -8.445 1.00 0.00 C ATOM 839 OE1 GLN A 50 21.654 -4.749 -9.505 1.00 0.00 O ATOM 840 NE2 GLN A 50 22.464 -4.961 -7.489 1.00 0.00 N ATOM 0 H GLN A 50 21.076 -8.328 -6.502 1.00 0.00 H new ATOM 0 HA GLN A 50 18.424 -7.363 -5.799 1.00 0.00 H new ATOM 0 HB2 GLN A 50 19.060 -5.509 -7.341 1.00 0.00 H new ATOM 0 HB3 GLN A 50 20.352 -5.848 -6.207 1.00 0.00 H new ATOM 0 HG2 GLN A 50 21.338 -7.436 -8.004 1.00 0.00 H new ATOM 0 HG3 GLN A 50 20.171 -6.756 -9.121 1.00 0.00 H new ATOM 0 HE21 GLN A 50 22.472 -5.460 -6.599 1.00 0.00 H new ATOM 0 HE22 GLN A 50 23.082 -4.162 -7.631 1.00 0.00 H new ATOM 849 N GLU A 51 18.799 -9.066 -8.509 1.00 0.00 N ATOM 850 CA GLU A 51 18.077 -9.610 -9.690 1.00 0.00 C ATOM 851 C GLU A 51 16.601 -9.816 -9.385 1.00 0.00 C ATOM 852 O GLU A 51 15.753 -9.551 -10.214 1.00 0.00 O ATOM 853 CB GLU A 51 18.706 -10.937 -10.114 1.00 0.00 C ATOM 854 CG GLU A 51 20.159 -10.703 -10.528 1.00 0.00 C ATOM 855 CD GLU A 51 20.745 -11.999 -11.091 1.00 0.00 C ATOM 856 OE1 GLU A 51 20.649 -13.011 -10.417 1.00 0.00 O ATOM 857 OE2 GLU A 51 21.281 -11.957 -12.186 1.00 0.00 O ATOM 0 H GLU A 51 19.692 -9.514 -8.304 1.00 0.00 H new ATOM 0 HA GLU A 51 18.160 -8.888 -10.502 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.661 -11.652 -9.292 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.145 -11.369 -10.943 1.00 0.00 H new ATOM 0 HG2 GLU A 51 20.212 -9.912 -11.276 1.00 0.00 H new ATOM 0 HG3 GLU A 51 20.743 -10.370 -9.670 1.00 0.00 H new ATOM 864 N VAL A 52 16.266 -10.259 -8.214 1.00 0.00 N ATOM 865 CA VAL A 52 14.826 -10.438 -7.905 1.00 0.00 C ATOM 866 C VAL A 52 14.244 -9.070 -7.618 1.00 0.00 C ATOM 867 O VAL A 52 13.137 -8.758 -8.011 1.00 0.00 O ATOM 868 CB VAL A 52 14.656 -11.348 -6.689 1.00 0.00 C ATOM 869 CG1 VAL A 52 15.257 -12.724 -6.988 1.00 0.00 C ATOM 870 CG2 VAL A 52 15.373 -10.728 -5.491 1.00 0.00 C ATOM 0 H VAL A 52 16.915 -10.503 -7.465 1.00 0.00 H new ATOM 0 HA VAL A 52 14.312 -10.902 -8.746 1.00 0.00 H new ATOM 0 HB VAL A 52 13.595 -11.460 -6.464 1.00 0.00 H new ATOM 0 HG11 VAL A 52 15.135 -13.371 -6.119 1.00 0.00 H new ATOM 0 HG12 VAL A 52 14.747 -13.166 -7.844 1.00 0.00 H new ATOM 0 HG13 VAL A 52 16.318 -12.616 -7.214 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.254 -11.374 -4.621 1.00 0.00 H new ATOM 0 HG22 VAL A 52 16.433 -10.618 -5.719 1.00 0.00 H new ATOM 0 HG23 VAL A 52 14.944 -9.749 -5.277 1.00 0.00 H new ATOM 880 N VAL A 53 14.986 -8.236 -6.954 1.00 0.00 N ATOM 881 CA VAL A 53 14.472 -6.877 -6.671 1.00 0.00 C ATOM 882 C VAL A 53 14.248 -6.216 -8.028 1.00 0.00 C ATOM 883 O VAL A 53 13.421 -5.342 -8.189 1.00 0.00 O ATOM 884 CB VAL A 53 15.484 -6.109 -5.767 1.00 0.00 C ATOM 885 CG1 VAL A 53 16.263 -5.041 -6.552 1.00 0.00 C ATOM 886 CG2 VAL A 53 14.745 -5.416 -4.617 1.00 0.00 C ATOM 0 H VAL A 53 15.920 -8.436 -6.597 1.00 0.00 H new ATOM 0 HA VAL A 53 13.533 -6.885 -6.118 1.00 0.00 H new ATOM 0 HB VAL A 53 16.188 -6.847 -5.383 1.00 0.00 H new ATOM 0 HG11 VAL A 53 16.956 -4.531 -5.883 1.00 0.00 H new ATOM 0 HG12 VAL A 53 16.821 -5.517 -7.358 1.00 0.00 H new ATOM 0 HG13 VAL A 53 15.565 -4.317 -6.972 1.00 0.00 H new ATOM 0 HG21 VAL A 53 15.462 -4.883 -3.993 1.00 0.00 H new ATOM 0 HG22 VAL A 53 14.021 -4.709 -5.023 1.00 0.00 H new ATOM 0 HG23 VAL A 53 14.225 -6.162 -4.016 1.00 0.00 H new ATOM 896 N ASP A 54 14.967 -6.676 -9.014 1.00 0.00 N ATOM 897 CA ASP A 54 14.791 -6.132 -10.383 1.00 0.00 C ATOM 898 C ASP A 54 13.548 -6.794 -10.968 1.00 0.00 C ATOM 899 O ASP A 54 12.838 -6.227 -11.773 1.00 0.00 O ATOM 900 CB ASP A 54 16.014 -6.472 -11.237 1.00 0.00 C ATOM 901 CG ASP A 54 15.940 -5.711 -12.562 1.00 0.00 C ATOM 902 OD1 ASP A 54 14.864 -5.242 -12.894 1.00 0.00 O ATOM 903 OD2 ASP A 54 16.961 -5.608 -13.222 1.00 0.00 O ATOM 0 H ASP A 54 15.671 -7.409 -8.927 1.00 0.00 H new ATOM 0 HA ASP A 54 14.682 -5.048 -10.363 1.00 0.00 H new ATOM 0 HB2 ASP A 54 16.927 -6.208 -10.704 1.00 0.00 H new ATOM 0 HB3 ASP A 54 16.053 -7.545 -11.424 1.00 0.00 H new ATOM 908 N LYS A 55 13.283 -8.001 -10.543 1.00 0.00 N ATOM 909 CA LYS A 55 12.083 -8.729 -11.039 1.00 0.00 C ATOM 910 C LYS A 55 10.841 -8.194 -10.325 1.00 0.00 C ATOM 911 O LYS A 55 9.893 -7.756 -10.946 1.00 0.00 O ATOM 912 CB LYS A 55 12.223 -10.220 -10.721 1.00 0.00 C ATOM 913 CG LYS A 55 11.106 -11.028 -11.427 1.00 0.00 C ATOM 914 CD LYS A 55 10.670 -12.230 -10.559 1.00 0.00 C ATOM 915 CE LYS A 55 9.506 -11.831 -9.642 1.00 0.00 C ATOM 916 NZ LYS A 55 9.925 -10.697 -8.770 1.00 0.00 N ATOM 0 H LYS A 55 13.851 -8.515 -9.870 1.00 0.00 H new ATOM 0 HA LYS A 55 11.992 -8.585 -12.116 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.200 -10.578 -11.045 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.168 -10.376 -9.644 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.249 -10.382 -11.619 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.462 -11.382 -12.394 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.370 -13.059 -11.199 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.511 -12.578 -9.960 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.641 -11.544 -10.239 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.203 -12.681 -9.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.329 -10.676 -7.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.920 -10.821 -8.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.818 -9.802 -9.289 1.00 0.00 H new ATOM 930 N VAL A 56 10.842 -8.225 -9.016 1.00 0.00 N ATOM 931 CA VAL A 56 9.667 -7.717 -8.258 1.00 0.00 C ATOM 932 C VAL A 56 9.346 -6.313 -8.761 1.00 0.00 C ATOM 933 O VAL A 56 8.205 -5.968 -8.990 1.00 0.00 O ATOM 934 CB VAL A 56 9.988 -7.718 -6.749 1.00 0.00 C ATOM 935 CG1 VAL A 56 10.795 -6.473 -6.360 1.00 0.00 C ATOM 936 CG2 VAL A 56 8.687 -7.740 -5.941 1.00 0.00 C ATOM 0 H VAL A 56 11.607 -8.581 -8.443 1.00 0.00 H new ATOM 0 HA VAL A 56 8.797 -8.356 -8.411 1.00 0.00 H new ATOM 0 HB VAL A 56 10.580 -8.607 -6.530 1.00 0.00 H new ATOM 0 HG11 VAL A 56 11.009 -6.497 -5.291 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.732 -6.458 -6.917 1.00 0.00 H new ATOM 0 HG13 VAL A 56 10.219 -5.578 -6.595 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.920 -7.741 -4.876 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.094 -6.858 -6.182 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.120 -8.637 -6.189 1.00 0.00 H new ATOM 946 N MET A 57 10.351 -5.509 -8.962 1.00 0.00 N ATOM 947 CA MET A 57 10.104 -4.144 -9.480 1.00 0.00 C ATOM 948 C MET A 57 9.459 -4.274 -10.857 1.00 0.00 C ATOM 949 O MET A 57 8.650 -3.463 -11.255 1.00 0.00 O ATOM 950 CB MET A 57 11.428 -3.393 -9.592 1.00 0.00 C ATOM 951 CG MET A 57 11.912 -3.003 -8.194 1.00 0.00 C ATOM 952 SD MET A 57 13.677 -2.595 -8.267 1.00 0.00 S ATOM 953 CE MET A 57 13.532 -0.822 -7.941 1.00 0.00 C ATOM 0 H MET A 57 11.329 -5.741 -8.789 1.00 0.00 H new ATOM 0 HA MET A 57 9.447 -3.591 -8.808 1.00 0.00 H new ATOM 0 HB2 MET A 57 12.172 -4.018 -10.085 1.00 0.00 H new ATOM 0 HB3 MET A 57 11.302 -2.502 -10.207 1.00 0.00 H new ATOM 0 HG2 MET A 57 11.344 -2.149 -7.824 1.00 0.00 H new ATOM 0 HG3 MET A 57 11.745 -3.823 -7.496 1.00 0.00 H new ATOM 0 HE1 MET A 57 14.494 -0.340 -8.117 1.00 0.00 H new ATOM 0 HE2 MET A 57 12.783 -0.390 -8.605 1.00 0.00 H new ATOM 0 HE3 MET A 57 13.232 -0.666 -6.905 1.00 0.00 H new ATOM 963 N GLU A 58 9.797 -5.308 -11.579 1.00 0.00 N ATOM 964 CA GLU A 58 9.187 -5.508 -12.920 1.00 0.00 C ATOM 965 C GLU A 58 7.703 -5.810 -12.728 1.00 0.00 C ATOM 966 O GLU A 58 6.879 -5.530 -13.577 1.00 0.00 O ATOM 967 CB GLU A 58 9.877 -6.687 -13.626 1.00 0.00 C ATOM 968 CG GLU A 58 9.659 -6.596 -15.141 1.00 0.00 C ATOM 969 CD GLU A 58 10.515 -7.651 -15.843 1.00 0.00 C ATOM 970 OE1 GLU A 58 10.038 -8.762 -16.005 1.00 0.00 O ATOM 971 OE2 GLU A 58 11.635 -7.330 -16.207 1.00 0.00 O ATOM 0 H GLU A 58 10.469 -6.021 -11.296 1.00 0.00 H new ATOM 0 HA GLU A 58 9.309 -4.614 -13.532 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.944 -6.680 -13.403 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.479 -7.629 -13.250 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.606 -6.750 -15.378 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.924 -5.601 -15.498 1.00 0.00 H new ATOM 978 N THR A 59 7.361 -6.374 -11.604 1.00 0.00 N ATOM 979 CA THR A 59 5.937 -6.697 -11.323 1.00 0.00 C ATOM 980 C THR A 59 5.263 -5.485 -10.688 1.00 0.00 C ATOM 981 O THR A 59 4.068 -5.296 -10.806 1.00 0.00 O ATOM 982 CB THR A 59 5.865 -7.875 -10.351 1.00 0.00 C ATOM 983 OG1 THR A 59 6.592 -8.974 -10.883 1.00 0.00 O ATOM 984 CG2 THR A 59 4.404 -8.275 -10.149 1.00 0.00 C ATOM 0 H THR A 59 8.014 -6.627 -10.862 1.00 0.00 H new ATOM 0 HA THR A 59 5.432 -6.957 -12.253 1.00 0.00 H new ATOM 0 HB THR A 59 6.298 -7.586 -9.393 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.547 -9.729 -10.259 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.349 -9.115 -9.456 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.849 -7.431 -9.740 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.971 -8.565 -11.106 1.00 0.00 H new ATOM 992 N LEU A 60 6.017 -4.667 -9.995 1.00 0.00 N ATOM 993 CA LEU A 60 5.415 -3.470 -9.325 1.00 0.00 C ATOM 994 C LEU A 60 5.639 -2.208 -10.165 1.00 0.00 C ATOM 995 O LEU A 60 4.751 -1.389 -10.294 1.00 0.00 O ATOM 996 CB LEU A 60 6.068 -3.286 -7.945 1.00 0.00 C ATOM 997 CG LEU A 60 5.336 -4.125 -6.885 1.00 0.00 C ATOM 998 CD1 LEU A 60 3.898 -3.594 -6.658 1.00 0.00 C ATOM 999 CD2 LEU A 60 5.294 -5.591 -7.334 1.00 0.00 C ATOM 0 H LEU A 60 7.023 -4.776 -9.864 1.00 0.00 H new ATOM 0 HA LEU A 60 4.342 -3.629 -9.217 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.116 -3.581 -7.990 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.045 -2.233 -7.663 1.00 0.00 H new ATOM 0 HG LEU A 60 5.877 -4.049 -5.942 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.400 -4.203 -5.904 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.942 -2.559 -6.318 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.340 -3.645 -7.593 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.775 -6.187 -6.583 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.766 -5.665 -8.285 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.311 -5.964 -7.454 1.00 0.00 H new ATOM 1011 N ASP A 61 6.798 -2.021 -10.731 1.00 0.00 N ATOM 1012 CA ASP A 61 7.023 -0.788 -11.543 1.00 0.00 C ATOM 1013 C ASP A 61 5.968 -0.681 -12.629 1.00 0.00 C ATOM 1014 O ASP A 61 5.965 -1.412 -13.599 1.00 0.00 O ATOM 1015 CB ASP A 61 8.409 -0.831 -12.178 1.00 0.00 C ATOM 1016 CG ASP A 61 9.469 -0.868 -11.078 1.00 0.00 C ATOM 1017 OD1 ASP A 61 9.114 -1.170 -9.951 1.00 0.00 O ATOM 1018 OD2 ASP A 61 10.618 -0.587 -11.380 1.00 0.00 O ATOM 0 H ASP A 61 7.592 -2.658 -10.670 1.00 0.00 H new ATOM 0 HA ASP A 61 6.953 0.082 -10.890 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.501 -1.709 -12.817 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.558 0.043 -12.813 1.00 0.00 H new ATOM 1023 N GLU A 62 5.076 0.252 -12.469 1.00 0.00 N ATOM 1024 CA GLU A 62 4.004 0.456 -13.480 1.00 0.00 C ATOM 1025 C GLU A 62 4.518 1.451 -14.503 1.00 0.00 C ATOM 1026 O GLU A 62 4.361 1.280 -15.696 1.00 0.00 O ATOM 1027 CB GLU A 62 2.749 1.009 -12.799 1.00 0.00 C ATOM 1028 CG GLU A 62 1.663 1.276 -13.846 1.00 0.00 C ATOM 1029 CD GLU A 62 0.382 1.733 -13.148 1.00 0.00 C ATOM 1030 OE1 GLU A 62 0.200 1.380 -11.995 1.00 0.00 O ATOM 1031 OE2 GLU A 62 -0.398 2.429 -13.779 1.00 0.00 O ATOM 0 H GLU A 62 5.043 0.889 -11.673 1.00 0.00 H new ATOM 0 HA GLU A 62 3.747 -0.487 -13.962 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.384 0.299 -12.057 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.989 1.930 -12.268 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.999 2.039 -14.548 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.472 0.373 -14.425 1.00 0.00 H new ATOM 1038 N ASP A 63 5.163 2.477 -14.040 1.00 0.00 N ATOM 1039 CA ASP A 63 5.725 3.474 -14.975 1.00 0.00 C ATOM 1040 C ASP A 63 7.019 2.902 -15.536 1.00 0.00 C ATOM 1041 O ASP A 63 7.667 3.501 -16.372 1.00 0.00 O ATOM 1042 CB ASP A 63 6.017 4.772 -14.223 1.00 0.00 C ATOM 1043 CG ASP A 63 6.813 4.458 -12.953 1.00 0.00 C ATOM 1044 OD1 ASP A 63 7.012 3.285 -12.676 1.00 0.00 O ATOM 1045 OD2 ASP A 63 7.210 5.394 -12.279 1.00 0.00 O ATOM 0 H ASP A 63 5.325 2.667 -13.051 1.00 0.00 H new ATOM 0 HA ASP A 63 5.022 3.688 -15.780 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.581 5.454 -14.859 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.084 5.274 -13.966 1.00 0.00 H new ATOM 1050 N GLY A 64 7.409 1.737 -15.078 1.00 0.00 N ATOM 1051 CA GLY A 64 8.668 1.137 -15.589 1.00 0.00 C ATOM 1052 C GLY A 64 9.802 2.118 -15.324 1.00 0.00 C ATOM 1053 O GLY A 64 10.617 2.395 -16.182 1.00 0.00 O ATOM 0 H GLY A 64 6.912 1.185 -14.379 1.00 0.00 H new ATOM 0 HA2 GLY A 64 8.864 0.186 -15.094 1.00 0.00 H new ATOM 0 HA3 GLY A 64 8.585 0.930 -16.656 1.00 0.00 H new ATOM 1057 N ASP A 65 9.851 2.665 -14.137 1.00 0.00 N ATOM 1058 CA ASP A 65 10.923 3.651 -13.812 1.00 0.00 C ATOM 1059 C ASP A 65 12.091 2.933 -13.142 1.00 0.00 C ATOM 1060 O ASP A 65 13.117 3.522 -12.867 1.00 0.00 O ATOM 1061 CB ASP A 65 10.364 4.712 -12.860 1.00 0.00 C ATOM 1062 CG ASP A 65 9.934 4.049 -11.551 1.00 0.00 C ATOM 1063 OD1 ASP A 65 9.928 2.830 -11.501 1.00 0.00 O ATOM 1064 OD2 ASP A 65 9.617 4.772 -10.620 1.00 0.00 O ATOM 0 H ASP A 65 9.196 2.471 -13.380 1.00 0.00 H new ATOM 0 HA ASP A 65 11.269 4.128 -14.729 1.00 0.00 H new ATOM 0 HB2 ASP A 65 11.119 5.473 -12.663 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.515 5.217 -13.320 1.00 0.00 H new ATOM 1069 N GLY A 66 11.945 1.667 -12.870 1.00 0.00 N ATOM 1070 CA GLY A 66 13.059 0.930 -12.209 1.00 0.00 C ATOM 1071 C GLY A 66 13.146 1.390 -10.762 1.00 0.00 C ATOM 1072 O GLY A 66 14.015 0.984 -10.016 1.00 0.00 O ATOM 0 H GLY A 66 11.112 1.115 -13.074 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.883 -0.145 -12.255 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.000 1.122 -12.725 1.00 0.00 H new ATOM 1076 N GLU A 67 12.230 2.229 -10.366 1.00 0.00 N ATOM 1077 CA GLU A 67 12.195 2.737 -8.966 1.00 0.00 C ATOM 1078 C GLU A 67 10.802 2.448 -8.419 1.00 0.00 C ATOM 1079 O GLU A 67 9.947 1.967 -9.136 1.00 0.00 O ATOM 1080 CB GLU A 67 12.459 4.244 -8.962 1.00 0.00 C ATOM 1081 CG GLU A 67 13.889 4.508 -9.438 1.00 0.00 C ATOM 1082 CD GLU A 67 14.079 6.003 -9.695 1.00 0.00 C ATOM 1083 OE1 GLU A 67 13.484 6.788 -8.975 1.00 0.00 O ATOM 1084 OE2 GLU A 67 14.816 6.339 -10.608 1.00 0.00 O ATOM 0 H GLU A 67 11.489 2.591 -10.966 1.00 0.00 H new ATOM 0 HA GLU A 67 12.956 2.255 -8.353 1.00 0.00 H new ATOM 0 HB2 GLU A 67 11.747 4.751 -9.613 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.317 4.647 -7.959 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.601 4.165 -8.688 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.089 3.944 -10.349 1.00 0.00 H new ATOM 1091 N CYS A 68 10.559 2.716 -7.164 1.00 0.00 N ATOM 1092 CA CYS A 68 9.208 2.432 -6.579 1.00 0.00 C ATOM 1093 C CYS A 68 8.648 3.679 -5.896 1.00 0.00 C ATOM 1094 O CYS A 68 8.885 3.911 -4.726 1.00 0.00 O ATOM 1095 CB CYS A 68 9.337 1.314 -5.543 1.00 0.00 C ATOM 1096 SG CYS A 68 9.791 -0.230 -6.374 1.00 0.00 S ATOM 0 H CYS A 68 11.235 3.119 -6.515 1.00 0.00 H new ATOM 0 HA CYS A 68 8.532 2.132 -7.380 1.00 0.00 H new ATOM 0 HB2 CYS A 68 10.092 1.576 -4.802 1.00 0.00 H new ATOM 0 HB3 CYS A 68 8.395 1.189 -5.009 1.00 0.00 H new ATOM 0 HG CYS A 68 8.933 -0.484 -7.317 1.00 0.00 H new ATOM 1102 N ASP A 69 7.915 4.492 -6.617 1.00 0.00 N ATOM 1103 CA ASP A 69 7.337 5.721 -6.000 1.00 0.00 C ATOM 1104 C ASP A 69 6.557 5.319 -4.744 1.00 0.00 C ATOM 1105 O ASP A 69 6.651 4.202 -4.287 1.00 0.00 O ATOM 1106 CB ASP A 69 6.404 6.406 -7.002 1.00 0.00 C ATOM 1107 CG ASP A 69 7.059 6.407 -8.385 1.00 0.00 C ATOM 1108 OD1 ASP A 69 8.134 6.971 -8.507 1.00 0.00 O ATOM 1109 OD2 ASP A 69 6.474 5.845 -9.296 1.00 0.00 O ATOM 0 H ASP A 69 7.694 4.356 -7.603 1.00 0.00 H new ATOM 0 HA ASP A 69 8.132 6.416 -5.730 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.447 5.885 -7.041 1.00 0.00 H new ATOM 0 HB3 ASP A 69 6.198 7.428 -6.684 1.00 0.00 H new ATOM 1114 N PHE A 70 5.793 6.206 -4.165 1.00 0.00 N ATOM 1115 CA PHE A 70 5.045 5.837 -2.923 1.00 0.00 C ATOM 1116 C PHE A 70 3.823 4.951 -3.251 1.00 0.00 C ATOM 1117 O PHE A 70 3.669 3.874 -2.709 1.00 0.00 O ATOM 1118 CB PHE A 70 4.592 7.123 -2.178 1.00 0.00 C ATOM 1119 CG PHE A 70 4.913 8.359 -2.997 1.00 0.00 C ATOM 1120 CD1 PHE A 70 6.247 8.685 -3.272 1.00 0.00 C ATOM 1121 CD2 PHE A 70 3.881 9.180 -3.474 1.00 0.00 C ATOM 1122 CE1 PHE A 70 6.550 9.828 -4.022 1.00 0.00 C ATOM 1123 CE2 PHE A 70 4.184 10.323 -4.222 1.00 0.00 C ATOM 1124 CZ PHE A 70 5.519 10.646 -4.497 1.00 0.00 C ATOM 0 H PHE A 70 5.653 7.162 -4.492 1.00 0.00 H new ATOM 0 HA PHE A 70 5.712 5.264 -2.279 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.520 7.078 -1.983 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.090 7.183 -1.210 1.00 0.00 H new ATOM 0 HD1 PHE A 70 7.043 8.054 -2.905 1.00 0.00 H new ATOM 0 HD2 PHE A 70 2.852 8.930 -3.264 1.00 0.00 H new ATOM 0 HE1 PHE A 70 7.579 10.078 -4.234 1.00 0.00 H new ATOM 0 HE2 PHE A 70 3.389 10.956 -4.587 1.00 0.00 H new ATOM 0 HZ PHE A 70 5.753 11.527 -5.076 1.00 0.00 H new ATOM 1134 N GLN A 71 2.944 5.406 -4.105 1.00 0.00 N ATOM 1135 CA GLN A 71 1.725 4.609 -4.432 1.00 0.00 C ATOM 1136 C GLN A 71 2.116 3.209 -4.890 1.00 0.00 C ATOM 1137 O GLN A 71 1.390 2.251 -4.689 1.00 0.00 O ATOM 1138 CB GLN A 71 0.917 5.313 -5.536 1.00 0.00 C ATOM 1139 CG GLN A 71 1.780 5.513 -6.791 1.00 0.00 C ATOM 1140 CD GLN A 71 1.796 4.232 -7.631 1.00 0.00 C ATOM 1141 OE1 GLN A 71 1.127 3.270 -7.308 1.00 0.00 O ATOM 1142 NE2 GLN A 71 2.534 4.182 -8.706 1.00 0.00 N ATOM 0 H GLN A 71 3.018 6.299 -4.592 1.00 0.00 H new ATOM 0 HA GLN A 71 1.110 4.527 -3.536 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.036 4.721 -5.784 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.561 6.278 -5.175 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.388 6.340 -7.383 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.797 5.781 -6.503 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.095 4.989 -8.977 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.549 3.336 -9.275 1.00 0.00 H new ATOM 1151 N GLU A 72 3.262 3.066 -5.485 1.00 0.00 N ATOM 1152 CA GLU A 72 3.707 1.724 -5.945 1.00 0.00 C ATOM 1153 C GLU A 72 4.463 1.043 -4.807 1.00 0.00 C ATOM 1154 O GLU A 72 4.296 -0.132 -4.550 1.00 0.00 O ATOM 1155 CB GLU A 72 4.618 1.924 -7.163 1.00 0.00 C ATOM 1156 CG GLU A 72 5.111 0.577 -7.727 1.00 0.00 C ATOM 1157 CD GLU A 72 6.425 0.791 -8.485 1.00 0.00 C ATOM 1158 OE1 GLU A 72 6.595 1.864 -9.039 1.00 0.00 O ATOM 1159 OE2 GLU A 72 7.238 -0.118 -8.498 1.00 0.00 O ATOM 0 H GLU A 72 3.915 3.826 -5.675 1.00 0.00 H new ATOM 0 HA GLU A 72 2.861 1.096 -6.224 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.077 2.468 -7.938 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.474 2.537 -6.882 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.258 -0.137 -6.916 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.360 0.152 -8.393 1.00 0.00 H new ATOM 1166 N PHE A 73 5.300 1.769 -4.125 1.00 0.00 N ATOM 1167 CA PHE A 73 6.067 1.155 -3.008 1.00 0.00 C ATOM 1168 C PHE A 73 5.094 0.605 -1.974 1.00 0.00 C ATOM 1169 O PHE A 73 5.302 -0.449 -1.414 1.00 0.00 O ATOM 1170 CB PHE A 73 6.979 2.211 -2.381 1.00 0.00 C ATOM 1171 CG PHE A 73 7.491 1.783 -1.020 1.00 0.00 C ATOM 1172 CD1 PHE A 73 7.795 0.440 -0.741 1.00 0.00 C ATOM 1173 CD2 PHE A 73 7.681 2.756 -0.035 1.00 0.00 C ATOM 1174 CE1 PHE A 73 8.289 0.085 0.519 1.00 0.00 C ATOM 1175 CE2 PHE A 73 8.170 2.399 1.220 1.00 0.00 C ATOM 1176 CZ PHE A 73 8.474 1.067 1.499 1.00 0.00 C ATOM 0 H PHE A 73 5.486 2.758 -4.291 1.00 0.00 H new ATOM 0 HA PHE A 73 6.683 0.337 -3.381 1.00 0.00 H new ATOM 0 HB2 PHE A 73 7.824 2.400 -3.043 1.00 0.00 H new ATOM 0 HB3 PHE A 73 6.434 3.150 -2.284 1.00 0.00 H new ATOM 0 HD1 PHE A 73 7.648 -0.317 -1.497 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.448 3.789 -0.247 1.00 0.00 H new ATOM 0 HE1 PHE A 73 8.527 -0.946 0.735 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.314 3.155 1.978 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.853 0.793 2.473 1.00 0.00 H new ATOM 1186 N MET A 74 4.014 1.278 -1.725 1.00 0.00 N ATOM 1187 CA MET A 74 3.053 0.715 -0.751 1.00 0.00 C ATOM 1188 C MET A 74 2.589 -0.608 -1.342 1.00 0.00 C ATOM 1189 O MET A 74 2.538 -1.627 -0.684 1.00 0.00 O ATOM 1190 CB MET A 74 1.864 1.671 -0.570 1.00 0.00 C ATOM 1191 CG MET A 74 1.099 1.364 0.745 1.00 0.00 C ATOM 1192 SD MET A 74 1.389 2.676 1.964 1.00 0.00 S ATOM 1193 CE MET A 74 -0.140 2.450 2.913 1.00 0.00 C ATOM 0 H MET A 74 3.759 2.173 -2.143 1.00 0.00 H new ATOM 0 HA MET A 74 3.507 0.574 0.230 1.00 0.00 H new ATOM 0 HB2 MET A 74 2.220 2.701 -0.556 1.00 0.00 H new ATOM 0 HB3 MET A 74 1.187 1.579 -1.419 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.032 1.277 0.541 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.425 0.405 1.148 1.00 0.00 H new ATOM 0 HE1 MET A 74 -0.179 3.182 3.720 1.00 0.00 H new ATOM 0 HE2 MET A 74 -0.999 2.587 2.257 1.00 0.00 H new ATOM 0 HE3 MET A 74 -0.162 1.445 3.334 1.00 0.00 H new ATOM 1203 N ALA A 75 2.245 -0.574 -2.596 1.00 0.00 N ATOM 1204 CA ALA A 75 1.769 -1.817 -3.266 1.00 0.00 C ATOM 1205 C ALA A 75 2.784 -2.945 -3.038 1.00 0.00 C ATOM 1206 O ALA A 75 2.466 -4.109 -3.185 1.00 0.00 O ATOM 1207 CB ALA A 75 1.601 -1.560 -4.764 1.00 0.00 C ATOM 0 H ALA A 75 2.272 0.257 -3.187 1.00 0.00 H new ATOM 0 HA ALA A 75 0.808 -2.112 -2.845 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.253 -2.470 -5.252 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.872 -0.764 -4.917 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.558 -1.262 -5.192 1.00 0.00 H new ATOM 1213 N PHE A 76 3.998 -2.622 -2.673 1.00 0.00 N ATOM 1214 CA PHE A 76 4.997 -3.710 -2.442 1.00 0.00 C ATOM 1215 C PHE A 76 4.686 -4.398 -1.114 1.00 0.00 C ATOM 1216 O PHE A 76 4.477 -5.592 -1.070 1.00 0.00 O ATOM 1217 CB PHE A 76 6.430 -3.156 -2.430 1.00 0.00 C ATOM 1218 CG PHE A 76 7.407 -4.226 -1.966 1.00 0.00 C ATOM 1219 CD1 PHE A 76 7.444 -5.481 -2.597 1.00 0.00 C ATOM 1220 CD2 PHE A 76 8.284 -3.958 -0.904 1.00 0.00 C ATOM 1221 CE1 PHE A 76 8.348 -6.457 -2.161 1.00 0.00 C ATOM 1222 CE2 PHE A 76 9.185 -4.936 -0.472 1.00 0.00 C ATOM 1223 CZ PHE A 76 9.216 -6.186 -1.099 1.00 0.00 C ATOM 0 H PHE A 76 4.337 -1.671 -2.527 1.00 0.00 H new ATOM 0 HA PHE A 76 4.928 -4.430 -3.258 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.703 -2.813 -3.428 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.487 -2.291 -1.769 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.775 -5.693 -3.418 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.263 -2.993 -0.419 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.375 -7.422 -2.646 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.858 -4.726 0.347 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.910 -6.942 -0.763 1.00 0.00 H new ATOM 1233 N VAL A 77 4.617 -3.666 -0.034 1.00 0.00 N ATOM 1234 CA VAL A 77 4.286 -4.319 1.266 1.00 0.00 C ATOM 1235 C VAL A 77 2.973 -5.084 1.090 1.00 0.00 C ATOM 1236 O VAL A 77 2.732 -6.097 1.704 1.00 0.00 O ATOM 1237 CB VAL A 77 4.115 -3.258 2.363 1.00 0.00 C ATOM 1238 CG1 VAL A 77 3.527 -3.909 3.618 1.00 0.00 C ATOM 1239 CG2 VAL A 77 5.476 -2.647 2.705 1.00 0.00 C ATOM 0 H VAL A 77 4.773 -2.659 0.006 1.00 0.00 H new ATOM 0 HA VAL A 77 5.090 -4.995 1.558 1.00 0.00 H new ATOM 0 HB VAL A 77 3.444 -2.477 2.005 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.406 -3.155 4.396 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.557 -4.345 3.381 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.199 -4.691 3.971 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.352 -1.894 3.484 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.147 -3.429 3.060 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.900 -2.182 1.815 1.00 0.00 H new ATOM 1249 N SER A 78 2.127 -4.593 0.242 1.00 0.00 N ATOM 1250 CA SER A 78 0.830 -5.267 0.000 1.00 0.00 C ATOM 1251 C SER A 78 1.079 -6.608 -0.680 1.00 0.00 C ATOM 1252 O SER A 78 0.386 -7.575 -0.444 1.00 0.00 O ATOM 1253 CB SER A 78 -0.012 -4.389 -0.913 1.00 0.00 C ATOM 1254 OG SER A 78 -1.355 -4.856 -0.913 1.00 0.00 O ATOM 0 H SER A 78 2.279 -3.743 -0.301 1.00 0.00 H new ATOM 0 HA SER A 78 0.311 -5.430 0.945 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.024 -3.354 -0.574 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.391 -4.407 -1.926 1.00 0.00 H new ATOM 0 HG SER A 78 -1.515 -5.392 -1.717 1.00 0.00 H new ATOM 1260 N MET A 79 2.070 -6.672 -1.519 1.00 0.00 N ATOM 1261 CA MET A 79 2.370 -7.950 -2.216 1.00 0.00 C ATOM 1262 C MET A 79 3.042 -8.916 -1.243 1.00 0.00 C ATOM 1263 O MET A 79 2.893 -10.117 -1.351 1.00 0.00 O ATOM 1264 CB MET A 79 3.289 -7.688 -3.417 1.00 0.00 C ATOM 1265 CG MET A 79 3.493 -8.983 -4.234 1.00 0.00 C ATOM 1266 SD MET A 79 3.667 -8.568 -5.994 1.00 0.00 S ATOM 1267 CE MET A 79 5.456 -8.804 -6.140 1.00 0.00 C ATOM 0 H MET A 79 2.687 -5.894 -1.753 1.00 0.00 H new ATOM 0 HA MET A 79 1.441 -8.392 -2.575 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.856 -6.915 -4.052 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.252 -7.314 -3.071 1.00 0.00 H new ATOM 0 HG2 MET A 79 4.381 -9.510 -3.884 1.00 0.00 H new ATOM 0 HG3 MET A 79 2.646 -9.654 -4.090 1.00 0.00 H new ATOM 0 HE1 MET A 79 5.801 -8.395 -7.090 1.00 0.00 H new ATOM 0 HE2 MET A 79 5.959 -8.291 -5.320 1.00 0.00 H new ATOM 0 HE3 MET A 79 5.687 -9.868 -6.098 1.00 0.00 H new ATOM 1277 N VAL A 80 3.753 -8.409 -0.270 1.00 0.00 N ATOM 1278 CA VAL A 80 4.392 -9.313 0.725 1.00 0.00 C ATOM 1279 C VAL A 80 3.362 -9.551 1.814 1.00 0.00 C ATOM 1280 O VAL A 80 3.300 -10.608 2.410 1.00 0.00 O ATOM 1281 CB VAL A 80 5.697 -8.695 1.303 1.00 0.00 C ATOM 1282 CG1 VAL A 80 6.355 -7.784 0.259 1.00 0.00 C ATOM 1283 CG2 VAL A 80 5.423 -7.880 2.580 1.00 0.00 C ATOM 0 H VAL A 80 3.917 -7.413 -0.124 1.00 0.00 H new ATOM 0 HA VAL A 80 4.690 -10.252 0.259 1.00 0.00 H new ATOM 0 HB VAL A 80 6.364 -9.519 1.556 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.268 -7.356 0.673 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.598 -8.366 -0.630 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.667 -6.982 -0.009 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.359 -7.464 2.954 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.731 -7.069 2.353 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.985 -8.529 3.339 1.00 0.00 H new ATOM 1293 N THR A 81 2.528 -8.574 2.060 1.00 0.00 N ATOM 1294 CA THR A 81 1.484 -8.760 3.092 1.00 0.00 C ATOM 1295 C THR A 81 0.427 -9.687 2.522 1.00 0.00 C ATOM 1296 O THR A 81 -0.155 -10.484 3.231 1.00 0.00 O ATOM 1297 CB THR A 81 0.837 -7.419 3.452 1.00 0.00 C ATOM 1298 OG1 THR A 81 1.842 -6.493 3.829 1.00 0.00 O ATOM 1299 CG2 THR A 81 -0.138 -7.616 4.614 1.00 0.00 C ATOM 0 H THR A 81 2.529 -7.667 1.593 1.00 0.00 H new ATOM 0 HA THR A 81 1.929 -9.180 3.994 1.00 0.00 H new ATOM 0 HB THR A 81 0.297 -7.035 2.587 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.605 -6.976 4.210 1.00 0.00 H new ATOM 0 HG21 THR A 81 -0.598 -6.661 4.869 1.00 0.00 H new ATOM 0 HG22 THR A 81 -0.913 -8.325 4.323 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.401 -8.002 5.479 1.00 0.00 H new ATOM 1307 N THR A 82 0.150 -9.588 1.245 1.00 0.00 N ATOM 1308 CA THR A 82 -0.896 -10.470 0.658 1.00 0.00 C ATOM 1309 C THR A 82 -0.421 -11.921 0.657 1.00 0.00 C ATOM 1310 O THR A 82 -1.196 -12.828 0.889 1.00 0.00 O ATOM 1311 CB THR A 82 -1.185 -10.036 -0.780 1.00 0.00 C ATOM 1312 OG1 THR A 82 0.042 -9.885 -1.474 1.00 0.00 O ATOM 1313 CG2 THR A 82 -1.952 -8.700 -0.797 1.00 0.00 C ATOM 0 H THR A 82 0.598 -8.943 0.594 1.00 0.00 H new ATOM 0 HA THR A 82 -1.802 -10.388 1.258 1.00 0.00 H new ATOM 0 HB THR A 82 -1.798 -10.796 -1.264 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.498 -9.076 -1.160 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.149 -8.407 -1.828 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.897 -8.816 -0.266 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.354 -7.931 -0.309 1.00 0.00 H new ATOM 1321 N ALA A 83 0.840 -12.165 0.409 1.00 0.00 N ATOM 1322 CA ALA A 83 1.323 -13.570 0.411 1.00 0.00 C ATOM 1323 C ALA A 83 1.160 -14.135 1.815 1.00 0.00 C ATOM 1324 O ALA A 83 0.616 -15.203 2.008 1.00 0.00 O ATOM 1325 CB ALA A 83 2.801 -13.603 0.012 1.00 0.00 C ATOM 0 H ALA A 83 1.547 -11.458 0.208 1.00 0.00 H new ATOM 0 HA ALA A 83 0.749 -14.165 -0.300 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.155 -14.634 0.013 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.918 -13.181 -0.986 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.383 -13.018 0.724 1.00 0.00 H new ATOM 1331 N CYS A 84 1.612 -13.413 2.803 1.00 0.00 N ATOM 1332 CA CYS A 84 1.461 -13.906 4.197 1.00 0.00 C ATOM 1333 C CYS A 84 -0.024 -14.123 4.470 1.00 0.00 C ATOM 1334 O CYS A 84 -0.405 -14.882 5.340 1.00 0.00 O ATOM 1335 CB CYS A 84 2.026 -12.872 5.173 1.00 0.00 C ATOM 1336 SG CYS A 84 2.253 -13.639 6.797 1.00 0.00 S ATOM 0 H CYS A 84 2.076 -12.510 2.705 1.00 0.00 H new ATOM 0 HA CYS A 84 2.005 -14.842 4.328 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.977 -12.489 4.804 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.349 -12.022 5.252 1.00 0.00 H new ATOM 0 HG CYS A 84 2.735 -12.762 7.627 1.00 0.00 H new ATOM 1342 N HIS A 85 -0.868 -13.466 3.718 1.00 0.00 N ATOM 1343 CA HIS A 85 -2.337 -13.631 3.908 1.00 0.00 C ATOM 1344 C HIS A 85 -2.840 -14.728 2.971 1.00 0.00 C ATOM 1345 O HIS A 85 -3.732 -15.481 3.306 1.00 0.00 O ATOM 1346 CB HIS A 85 -3.052 -12.321 3.573 1.00 0.00 C ATOM 1347 CG HIS A 85 -4.533 -12.518 3.735 1.00 0.00 C ATOM 1348 ND1 HIS A 85 -5.063 -13.285 4.757 1.00 0.00 N ATOM 1349 CD2 HIS A 85 -5.608 -12.066 3.007 1.00 0.00 C ATOM 1350 CE1 HIS A 85 -6.400 -13.276 4.622 1.00 0.00 C ATOM 1351 NE2 HIS A 85 -6.788 -12.547 3.570 1.00 0.00 N ATOM 0 H HIS A 85 -0.600 -12.819 2.977 1.00 0.00 H new ATOM 0 HA HIS A 85 -2.541 -13.900 4.944 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -2.704 -11.523 4.229 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -2.822 -12.017 2.552 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -4.534 -13.770 5.482 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -5.547 -11.435 2.133 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -7.079 -13.795 5.283 1.00 0.00 H new ATOM 1359 N GLU A 86 -2.275 -14.825 1.796 1.00 0.00 N ATOM 1360 CA GLU A 86 -2.724 -15.874 0.836 1.00 0.00 C ATOM 1361 C GLU A 86 -2.379 -17.252 1.396 1.00 0.00 C ATOM 1362 O GLU A 86 -3.213 -18.133 1.465 1.00 0.00 O ATOM 1363 CB GLU A 86 -2.018 -15.675 -0.509 1.00 0.00 C ATOM 1364 CG GLU A 86 -2.591 -16.645 -1.547 1.00 0.00 C ATOM 1365 CD GLU A 86 -4.046 -16.278 -1.847 1.00 0.00 C ATOM 1366 OE1 GLU A 86 -4.257 -15.363 -2.626 1.00 0.00 O ATOM 1367 OE2 GLU A 86 -4.925 -16.919 -1.295 1.00 0.00 O ATOM 0 H GLU A 86 -1.523 -14.223 1.461 1.00 0.00 H new ATOM 0 HA GLU A 86 -3.802 -15.799 0.691 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.147 -14.647 -0.849 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -0.947 -15.841 -0.395 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -2.000 -16.605 -2.462 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -2.533 -17.668 -1.174 1.00 0.00 H new ATOM 1374 N PHE A 87 -1.157 -17.444 1.802 1.00 0.00 N ATOM 1375 CA PHE A 87 -0.763 -18.764 2.364 1.00 0.00 C ATOM 1376 C PHE A 87 -1.598 -19.037 3.614 1.00 0.00 C ATOM 1377 O PHE A 87 -1.959 -20.162 3.900 1.00 0.00 O ATOM 1378 CB PHE A 87 0.724 -18.743 2.732 1.00 0.00 C ATOM 1379 CG PHE A 87 1.555 -18.819 1.471 1.00 0.00 C ATOM 1380 CD1 PHE A 87 1.559 -19.992 0.706 1.00 0.00 C ATOM 1381 CD2 PHE A 87 2.319 -17.717 1.062 1.00 0.00 C ATOM 1382 CE1 PHE A 87 2.325 -20.064 -0.464 1.00 0.00 C ATOM 1383 CE2 PHE A 87 3.084 -17.790 -0.107 1.00 0.00 C ATOM 1384 CZ PHE A 87 3.088 -18.963 -0.871 1.00 0.00 C ATOM 0 H PHE A 87 -0.415 -16.745 1.769 1.00 0.00 H new ATOM 0 HA PHE A 87 -0.936 -19.547 1.626 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.961 -17.832 3.282 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.960 -19.582 3.387 1.00 0.00 H new ATOM 0 HD1 PHE A 87 0.971 -20.842 1.019 1.00 0.00 H new ATOM 0 HD2 PHE A 87 2.317 -16.811 1.650 1.00 0.00 H new ATOM 0 HE1 PHE A 87 2.327 -20.969 -1.053 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.672 -16.940 -0.420 1.00 0.00 H new ATOM 0 HZ PHE A 87 3.679 -19.019 -1.773 1.00 0.00 H new ATOM 1394 N PHE A 88 -1.911 -18.013 4.360 1.00 0.00 N ATOM 1395 CA PHE A 88 -2.727 -18.210 5.591 1.00 0.00 C ATOM 1396 C PHE A 88 -4.160 -18.599 5.201 1.00 0.00 C ATOM 1397 O PHE A 88 -4.635 -19.662 5.546 1.00 0.00 O ATOM 1398 CB PHE A 88 -2.737 -16.908 6.407 1.00 0.00 C ATOM 1399 CG PHE A 88 -3.793 -16.972 7.496 1.00 0.00 C ATOM 1400 CD1 PHE A 88 -3.790 -18.027 8.421 1.00 0.00 C ATOM 1401 CD2 PHE A 88 -4.776 -15.975 7.581 1.00 0.00 C ATOM 1402 CE1 PHE A 88 -4.766 -18.084 9.423 1.00 0.00 C ATOM 1403 CE2 PHE A 88 -5.750 -16.034 8.585 1.00 0.00 C ATOM 1404 CZ PHE A 88 -5.746 -17.087 9.505 1.00 0.00 C ATOM 0 H PHE A 88 -1.637 -17.049 4.170 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.296 -19.008 6.195 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.756 -16.743 6.853 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -2.935 -16.061 5.750 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.034 -18.796 8.360 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -4.782 -15.161 6.871 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -4.763 -18.898 10.133 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -6.506 -15.265 8.649 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.498 -17.131 10.279 1.00 0.00 H new ATOM 1414 N GLU A 89 -4.855 -17.748 4.493 1.00 0.00 N ATOM 1415 CA GLU A 89 -6.254 -18.082 4.099 1.00 0.00 C ATOM 1416 C GLU A 89 -6.241 -19.098 2.955 1.00 0.00 C ATOM 1417 O GLU A 89 -7.194 -19.221 2.210 1.00 0.00 O ATOM 1418 CB GLU A 89 -6.994 -16.804 3.671 1.00 0.00 C ATOM 1419 CG GLU A 89 -6.544 -16.365 2.268 1.00 0.00 C ATOM 1420 CD GLU A 89 -6.852 -14.876 2.066 1.00 0.00 C ATOM 1421 OE1 GLU A 89 -7.896 -14.438 2.520 1.00 0.00 O ATOM 1422 OE2 GLU A 89 -6.037 -14.200 1.460 1.00 0.00 O ATOM 0 H GLU A 89 -4.516 -16.841 4.172 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.774 -18.519 4.951 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.070 -16.981 3.676 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.799 -16.006 4.388 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -5.476 -16.545 2.146 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.056 -16.958 1.510 1.00 0.00 H new ATOM 1429 N HIS A 90 -5.175 -19.836 2.815 1.00 0.00 N ATOM 1430 CA HIS A 90 -5.115 -20.848 1.727 1.00 0.00 C ATOM 1431 C HIS A 90 -6.117 -21.962 2.033 1.00 0.00 C ATOM 1432 O HIS A 90 -5.869 -22.827 2.848 1.00 0.00 O ATOM 1433 CB HIS A 90 -3.703 -21.432 1.649 1.00 0.00 C ATOM 1434 CG HIS A 90 -3.616 -22.416 0.514 1.00 0.00 C ATOM 1435 ND1 HIS A 90 -2.629 -23.393 0.460 1.00 0.00 N ATOM 1436 CD2 HIS A 90 -4.375 -22.590 -0.619 1.00 0.00 C ATOM 1437 CE1 HIS A 90 -2.821 -24.102 -0.668 1.00 0.00 C ATOM 1438 NE2 HIS A 90 -3.870 -23.654 -1.358 1.00 0.00 N ATOM 0 H HIS A 90 -4.345 -19.781 3.406 1.00 0.00 H new ATOM 0 HA HIS A 90 -5.361 -20.382 0.773 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -2.977 -20.632 1.504 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -3.452 -21.924 2.588 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -5.232 -21.992 -0.893 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -2.202 -24.931 -0.976 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -4.227 -24.016 -2.242 1.00 0.00 H new ATOM 1447 N GLU A 91 -7.250 -21.944 1.386 1.00 0.00 N ATOM 1448 CA GLU A 91 -8.275 -22.998 1.637 1.00 0.00 C ATOM 1449 C GLU A 91 -7.952 -24.234 0.795 1.00 0.00 C ATOM 1450 O GLU A 91 -8.179 -25.331 1.278 1.00 0.00 O ATOM 1451 CB GLU A 91 -9.656 -22.463 1.253 1.00 0.00 C ATOM 1452 CG GLU A 91 -10.087 -21.396 2.261 1.00 0.00 C ATOM 1453 CD GLU A 91 -11.305 -20.644 1.721 1.00 0.00 C ATOM 1454 OE1 GLU A 91 -11.238 -20.178 0.596 1.00 0.00 O ATOM 1455 OE2 GLU A 91 -12.284 -20.547 2.443 1.00 0.00 O ATOM 1456 OXT GLU A 91 -7.484 -24.063 -0.319 1.00 0.00 O ATOM 0 H GLU A 91 -7.511 -21.243 0.692 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.270 -23.269 2.693 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.628 -22.040 0.249 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -10.381 -23.277 1.236 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.328 -21.860 3.217 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.268 -20.700 2.442 1.00 0.00 H new TER 1463 GLU A 91 ATOM 1464 N MET B 0 7.583 -7.249 10.612 1.00 0.00 N ATOM 1465 CA MET B 0 8.438 -7.059 11.818 1.00 0.00 C ATOM 1466 C MET B 0 8.578 -5.567 12.121 1.00 0.00 C ATOM 1467 O MET B 0 8.943 -4.782 11.270 1.00 0.00 O ATOM 1468 CB MET B 0 9.824 -7.648 11.560 1.00 0.00 C ATOM 1469 CG MET B 0 10.639 -7.618 12.853 1.00 0.00 C ATOM 1470 SD MET B 0 12.181 -8.536 12.618 1.00 0.00 S ATOM 1471 CE MET B 0 12.846 -8.287 14.281 1.00 0.00 C ATOM 0 H1 MET B 0 7.027 -8.122 10.715 1.00 0.00 H new ATOM 0 H2 MET B 0 6.940 -6.438 10.511 1.00 0.00 H new ATOM 0 H3 MET B 0 8.185 -7.320 9.767 1.00 0.00 H new ATOM 0 HA MET B 0 7.975 -7.563 12.667 1.00 0.00 H new ATOM 0 HB2 MET B 0 9.734 -8.672 11.198 1.00 0.00 H new ATOM 0 HB3 MET B 0 10.334 -7.079 10.783 1.00 0.00 H new ATOM 0 HG2 MET B 0 10.856 -6.588 13.134 1.00 0.00 H new ATOM 0 HG3 MET B 0 10.063 -8.056 13.668 1.00 0.00 H new ATOM 0 HE1 MET B 0 13.815 -8.780 14.363 1.00 0.00 H new ATOM 0 HE2 MET B 0 12.965 -7.220 14.469 1.00 0.00 H new ATOM 0 HE3 MET B 0 12.160 -8.711 15.014 1.00 0.00 H new ATOM 1483 N SER B 1 8.305 -5.171 13.335 1.00 0.00 N ATOM 1484 CA SER B 1 8.437 -3.734 13.705 1.00 0.00 C ATOM 1485 C SER B 1 7.288 -2.916 13.110 1.00 0.00 C ATOM 1486 O SER B 1 6.203 -3.411 12.878 1.00 0.00 O ATOM 1487 CB SER B 1 9.778 -3.191 13.194 1.00 0.00 C ATOM 1488 OG SER B 1 10.272 -2.222 14.112 1.00 0.00 O ATOM 0 H SER B 1 7.995 -5.784 14.089 1.00 0.00 H new ATOM 0 HA SER B 1 8.398 -3.649 14.791 1.00 0.00 H new ATOM 0 HB2 SER B 1 10.495 -4.004 13.085 1.00 0.00 H new ATOM 0 HB3 SER B 1 9.651 -2.744 12.208 1.00 0.00 H new ATOM 0 HG SER B 1 11.130 -1.874 13.790 1.00 0.00 H new ATOM 1494 N GLU B 2 7.546 -1.664 12.857 1.00 0.00 N ATOM 1495 CA GLU B 2 6.503 -0.775 12.276 1.00 0.00 C ATOM 1496 C GLU B 2 5.821 -1.478 11.102 1.00 0.00 C ATOM 1497 O GLU B 2 4.704 -1.160 10.745 1.00 0.00 O ATOM 1498 CB GLU B 2 7.155 0.521 11.790 1.00 0.00 C ATOM 1499 CG GLU B 2 7.700 1.297 12.991 1.00 0.00 C ATOM 1500 CD GLU B 2 6.535 1.823 13.833 1.00 0.00 C ATOM 1501 OE1 GLU B 2 5.432 1.881 13.313 1.00 0.00 O ATOM 1502 OE2 GLU B 2 6.766 2.159 14.983 1.00 0.00 O ATOM 0 H GLU B 2 8.445 -1.214 13.030 1.00 0.00 H new ATOM 0 HA GLU B 2 5.758 -0.545 13.037 1.00 0.00 H new ATOM 0 HB2 GLU B 2 7.961 0.296 11.092 1.00 0.00 H new ATOM 0 HB3 GLU B 2 6.427 1.127 11.251 1.00 0.00 H new ATOM 0 HG2 GLU B 2 8.337 0.651 13.596 1.00 0.00 H new ATOM 0 HG3 GLU B 2 8.319 2.127 12.650 1.00 0.00 H new ATOM 1509 N LEU B 3 6.482 -2.422 10.488 1.00 0.00 N ATOM 1510 CA LEU B 3 5.865 -3.129 9.330 1.00 0.00 C ATOM 1511 C LEU B 3 4.916 -4.212 9.845 1.00 0.00 C ATOM 1512 O LEU B 3 3.971 -4.582 9.182 1.00 0.00 O ATOM 1513 CB LEU B 3 6.955 -3.798 8.474 1.00 0.00 C ATOM 1514 CG LEU B 3 7.917 -2.760 7.863 1.00 0.00 C ATOM 1515 CD1 LEU B 3 7.134 -1.688 7.087 1.00 0.00 C ATOM 1516 CD2 LEU B 3 8.764 -2.096 8.964 1.00 0.00 C ATOM 0 H LEU B 3 7.421 -2.733 10.738 1.00 0.00 H new ATOM 0 HA LEU B 3 5.321 -2.404 8.725 1.00 0.00 H new ATOM 0 HB2 LEU B 3 7.519 -4.500 9.087 1.00 0.00 H new ATOM 0 HB3 LEU B 3 6.488 -4.375 7.676 1.00 0.00 H new ATOM 0 HG LEU B 3 8.581 -3.278 7.172 1.00 0.00 H new ATOM 0 HD11 LEU B 3 7.830 -0.964 6.663 1.00 0.00 H new ATOM 0 HD12 LEU B 3 6.568 -2.161 6.284 1.00 0.00 H new ATOM 0 HD13 LEU B 3 6.448 -1.178 7.763 1.00 0.00 H new ATOM 0 HD21 LEU B 3 9.437 -1.366 8.515 1.00 0.00 H new ATOM 0 HD22 LEU B 3 8.108 -1.594 9.675 1.00 0.00 H new ATOM 0 HD23 LEU B 3 9.347 -2.857 9.483 1.00 0.00 H new ATOM 1528 N GLU B 4 5.145 -4.711 11.026 1.00 0.00 N ATOM 1529 CA GLU B 4 4.235 -5.756 11.569 1.00 0.00 C ATOM 1530 C GLU B 4 2.950 -5.078 12.033 1.00 0.00 C ATOM 1531 O GLU B 4 1.909 -5.691 12.129 1.00 0.00 O ATOM 1532 CB GLU B 4 4.903 -6.464 12.749 1.00 0.00 C ATOM 1533 CG GLU B 4 3.894 -7.395 13.430 1.00 0.00 C ATOM 1534 CD GLU B 4 4.635 -8.379 14.338 1.00 0.00 C ATOM 1535 OE1 GLU B 4 5.647 -8.907 13.905 1.00 0.00 O ATOM 1536 OE2 GLU B 4 4.179 -8.588 15.450 1.00 0.00 O ATOM 0 H GLU B 4 5.918 -4.443 11.636 1.00 0.00 H new ATOM 0 HA GLU B 4 4.013 -6.496 10.800 1.00 0.00 H new ATOM 0 HB2 GLU B 4 5.764 -7.036 12.403 1.00 0.00 H new ATOM 0 HB3 GLU B 4 5.275 -5.729 13.463 1.00 0.00 H new ATOM 0 HG2 GLU B 4 3.182 -6.812 14.014 1.00 0.00 H new ATOM 0 HG3 GLU B 4 3.321 -7.939 12.679 1.00 0.00 H new ATOM 1543 N LYS B 5 3.024 -3.809 12.319 1.00 0.00 N ATOM 1544 CA LYS B 5 1.816 -3.073 12.775 1.00 0.00 C ATOM 1545 C LYS B 5 0.927 -2.773 11.564 1.00 0.00 C ATOM 1546 O LYS B 5 -0.253 -3.062 11.563 1.00 0.00 O ATOM 1547 CB LYS B 5 2.264 -1.759 13.447 1.00 0.00 C ATOM 1548 CG LYS B 5 2.579 -2.007 14.940 1.00 0.00 C ATOM 1549 CD LYS B 5 3.636 -0.997 15.459 1.00 0.00 C ATOM 1550 CE LYS B 5 5.037 -1.632 15.440 1.00 0.00 C ATOM 1551 NZ LYS B 5 5.195 -2.517 16.630 1.00 0.00 N ATOM 0 H LYS B 5 3.874 -3.248 12.256 1.00 0.00 H new ATOM 0 HA LYS B 5 1.251 -3.670 13.490 1.00 0.00 H new ATOM 0 HB2 LYS B 5 3.146 -1.365 12.942 1.00 0.00 H new ATOM 0 HB3 LYS B 5 1.480 -1.007 13.353 1.00 0.00 H new ATOM 0 HG2 LYS B 5 1.666 -1.918 15.528 1.00 0.00 H new ATOM 0 HG3 LYS B 5 2.946 -3.025 15.074 1.00 0.00 H new ATOM 0 HD2 LYS B 5 3.627 -0.101 14.839 1.00 0.00 H new ATOM 0 HD3 LYS B 5 3.384 -0.686 16.473 1.00 0.00 H new ATOM 0 HE2 LYS B 5 5.176 -2.207 14.524 1.00 0.00 H new ATOM 0 HE3 LYS B 5 5.801 -0.855 15.447 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 6.142 -2.947 16.619 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 5.080 -1.956 17.498 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 4.474 -3.266 16.604 1.00 0.00 H new ATOM 1565 N ALA B 6 1.483 -2.190 10.540 1.00 0.00 N ATOM 1566 CA ALA B 6 0.672 -1.861 9.338 1.00 0.00 C ATOM 1567 C ALA B 6 0.161 -3.137 8.677 1.00 0.00 C ATOM 1568 O ALA B 6 -1.021 -3.297 8.448 1.00 0.00 O ATOM 1569 CB ALA B 6 1.536 -1.084 8.342 1.00 0.00 C ATOM 0 H ALA B 6 2.467 -1.927 10.484 1.00 0.00 H new ATOM 0 HA ALA B 6 -0.182 -1.255 9.642 1.00 0.00 H new ATOM 0 HB1 ALA B 6 0.944 -0.841 7.459 1.00 0.00 H new ATOM 0 HB2 ALA B 6 1.889 -0.163 8.807 1.00 0.00 H new ATOM 0 HB3 ALA B 6 2.391 -1.693 8.049 1.00 0.00 H new ATOM 1575 N MET B 7 1.036 -4.040 8.354 1.00 0.00 N ATOM 1576 CA MET B 7 0.588 -5.294 7.694 1.00 0.00 C ATOM 1577 C MET B 7 -0.484 -5.972 8.546 1.00 0.00 C ATOM 1578 O MET B 7 -1.426 -6.535 8.033 1.00 0.00 O ATOM 1579 CB MET B 7 1.775 -6.256 7.522 1.00 0.00 C ATOM 1580 CG MET B 7 2.771 -5.720 6.478 1.00 0.00 C ATOM 1581 SD MET B 7 3.643 -7.121 5.717 1.00 0.00 S ATOM 1582 CE MET B 7 5.339 -6.515 5.905 1.00 0.00 C ATOM 0 H MET B 7 2.040 -3.966 8.517 1.00 0.00 H new ATOM 0 HA MET B 7 0.179 -5.046 6.715 1.00 0.00 H new ATOM 0 HB2 MET B 7 2.281 -6.390 8.478 1.00 0.00 H new ATOM 0 HB3 MET B 7 1.412 -7.236 7.214 1.00 0.00 H new ATOM 0 HG2 MET B 7 2.245 -5.146 5.716 1.00 0.00 H new ATOM 0 HG3 MET B 7 3.484 -5.044 6.950 1.00 0.00 H new ATOM 0 HE1 MET B 7 5.988 -7.024 5.193 1.00 0.00 H new ATOM 0 HE2 MET B 7 5.365 -5.442 5.716 1.00 0.00 H new ATOM 0 HE3 MET B 7 5.686 -6.714 6.919 1.00 0.00 H new ATOM 1592 N VAL B 8 -0.354 -5.929 9.840 1.00 0.00 N ATOM 1593 CA VAL B 8 -1.378 -6.583 10.702 1.00 0.00 C ATOM 1594 C VAL B 8 -2.615 -5.691 10.772 1.00 0.00 C ATOM 1595 O VAL B 8 -3.733 -6.145 10.628 1.00 0.00 O ATOM 1596 CB VAL B 8 -0.807 -6.797 12.105 1.00 0.00 C ATOM 1597 CG1 VAL B 8 -1.913 -7.280 13.048 1.00 0.00 C ATOM 1598 CG2 VAL B 8 0.303 -7.850 12.042 1.00 0.00 C ATOM 0 H VAL B 8 0.411 -5.473 10.337 1.00 0.00 H new ATOM 0 HA VAL B 8 -1.652 -7.550 10.281 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.403 -5.856 12.478 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -1.500 -7.431 14.046 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -2.706 -6.533 13.092 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -2.321 -8.221 12.678 1.00 0.00 H new ATOM 0 HG21 VAL B 8 0.713 -8.006 13.040 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -0.106 -8.788 11.667 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.093 -7.506 11.374 1.00 0.00 H new ATOM 1608 N ALA B 9 -2.420 -4.424 10.988 1.00 0.00 N ATOM 1609 CA ALA B 9 -3.580 -3.497 11.064 1.00 0.00 C ATOM 1610 C ALA B 9 -4.349 -3.530 9.740 1.00 0.00 C ATOM 1611 O ALA B 9 -5.552 -3.363 9.705 1.00 0.00 O ATOM 1612 CB ALA B 9 -3.082 -2.072 11.321 1.00 0.00 C ATOM 0 H ALA B 9 -1.506 -3.989 11.116 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.236 -3.808 11.877 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -3.933 -1.394 11.376 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -2.533 -2.043 12.262 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -2.425 -1.764 10.508 1.00 0.00 H new ATOM 1618 N LEU B 10 -3.663 -3.727 8.645 1.00 0.00 N ATOM 1619 CA LEU B 10 -4.359 -3.743 7.326 1.00 0.00 C ATOM 1620 C LEU B 10 -5.042 -5.096 7.082 1.00 0.00 C ATOM 1621 O LEU B 10 -6.187 -5.143 6.704 1.00 0.00 O ATOM 1622 CB LEU B 10 -3.320 -3.448 6.224 1.00 0.00 C ATOM 1623 CG LEU B 10 -3.213 -1.913 5.975 1.00 0.00 C ATOM 1624 CD1 LEU B 10 -1.762 -1.519 5.694 1.00 0.00 C ATOM 1625 CD2 LEU B 10 -4.077 -1.522 4.769 1.00 0.00 C ATOM 0 H LEU B 10 -2.655 -3.877 8.607 1.00 0.00 H new ATOM 0 HA LEU B 10 -5.138 -2.981 7.313 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.348 -3.844 6.517 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -3.605 -3.953 5.301 1.00 0.00 H new ATOM 0 HG LEU B 10 -3.562 -1.393 6.867 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -1.704 -0.444 5.522 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -1.141 -1.784 6.550 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -1.406 -2.048 4.810 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.999 -0.448 4.599 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -3.730 -2.056 3.884 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -5.117 -1.784 4.966 1.00 0.00 H new ATOM 1637 N ILE B 11 -4.358 -6.189 7.292 1.00 0.00 N ATOM 1638 CA ILE B 11 -4.984 -7.529 7.053 1.00 0.00 C ATOM 1639 C ILE B 11 -6.384 -7.552 7.672 1.00 0.00 C ATOM 1640 O ILE B 11 -7.279 -8.213 7.183 1.00 0.00 O ATOM 1641 CB ILE B 11 -4.107 -8.623 7.688 1.00 0.00 C ATOM 1642 CG1 ILE B 11 -2.879 -8.858 6.802 1.00 0.00 C ATOM 1643 CG2 ILE B 11 -4.895 -9.935 7.811 1.00 0.00 C ATOM 1644 CD1 ILE B 11 -1.816 -9.630 7.587 1.00 0.00 C ATOM 0 H ILE B 11 -3.392 -6.215 7.619 1.00 0.00 H new ATOM 0 HA ILE B 11 -5.064 -7.714 5.982 1.00 0.00 H new ATOM 0 HB ILE B 11 -3.800 -8.299 8.682 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -3.164 -9.417 5.910 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -2.474 -7.904 6.465 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -4.262 -10.699 8.262 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -5.772 -9.775 8.438 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -5.211 -10.264 6.821 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.944 -9.795 6.954 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -1.523 -9.055 8.465 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -2.223 -10.591 7.902 1.00 0.00 H new ATOM 1656 N ASP B 12 -6.585 -6.825 8.730 1.00 0.00 N ATOM 1657 CA ASP B 12 -7.932 -6.799 9.360 1.00 0.00 C ATOM 1658 C ASP B 12 -8.864 -5.945 8.499 1.00 0.00 C ATOM 1659 O ASP B 12 -9.969 -6.339 8.181 1.00 0.00 O ATOM 1660 CB ASP B 12 -7.839 -6.205 10.767 1.00 0.00 C ATOM 1661 CG ASP B 12 -9.194 -6.336 11.467 1.00 0.00 C ATOM 1662 OD1 ASP B 12 -9.993 -5.423 11.342 1.00 0.00 O ATOM 1663 OD2 ASP B 12 -9.407 -7.347 12.116 1.00 0.00 O ATOM 0 H ASP B 12 -5.878 -6.248 9.186 1.00 0.00 H new ATOM 0 HA ASP B 12 -8.322 -7.814 9.433 1.00 0.00 H new ATOM 0 HB2 ASP B 12 -7.070 -6.721 11.341 1.00 0.00 H new ATOM 0 HB3 ASP B 12 -7.546 -5.157 10.712 1.00 0.00 H new ATOM 1668 N VAL B 13 -8.421 -4.782 8.111 1.00 0.00 N ATOM 1669 CA VAL B 13 -9.274 -3.903 7.260 1.00 0.00 C ATOM 1670 C VAL B 13 -9.259 -4.431 5.823 1.00 0.00 C ATOM 1671 O VAL B 13 -10.182 -4.213 5.064 1.00 0.00 O ATOM 1672 CB VAL B 13 -8.747 -2.457 7.293 1.00 0.00 C ATOM 1673 CG1 VAL B 13 -9.816 -1.508 6.746 1.00 0.00 C ATOM 1674 CG2 VAL B 13 -8.420 -2.062 8.735 1.00 0.00 C ATOM 0 H VAL B 13 -7.505 -4.401 8.346 1.00 0.00 H new ATOM 0 HA VAL B 13 -10.295 -3.909 7.643 1.00 0.00 H new ATOM 0 HB VAL B 13 -7.848 -2.390 6.681 1.00 0.00 H new ATOM 0 HG11 VAL B 13 -9.441 -0.485 6.770 1.00 0.00 H new ATOM 0 HG12 VAL B 13 -10.055 -1.783 5.719 1.00 0.00 H new ATOM 0 HG13 VAL B 13 -10.714 -1.580 7.359 1.00 0.00 H new ATOM 0 HG21 VAL B 13 -8.047 -1.038 8.756 1.00 0.00 H new ATOM 0 HG22 VAL B 13 -9.321 -2.133 9.345 1.00 0.00 H new ATOM 0 HG23 VAL B 13 -7.659 -2.734 9.133 1.00 0.00 H new ATOM 1684 N PHE B 14 -8.213 -5.114 5.440 1.00 0.00 N ATOM 1685 CA PHE B 14 -8.147 -5.638 4.043 1.00 0.00 C ATOM 1686 C PHE B 14 -9.136 -6.799 3.870 1.00 0.00 C ATOM 1687 O PHE B 14 -9.921 -6.818 2.945 1.00 0.00 O ATOM 1688 CB PHE B 14 -6.701 -6.114 3.729 1.00 0.00 C ATOM 1689 CG PHE B 14 -6.022 -5.160 2.768 1.00 0.00 C ATOM 1690 CD1 PHE B 14 -6.079 -3.781 3.000 1.00 0.00 C ATOM 1691 CD2 PHE B 14 -5.344 -5.655 1.644 1.00 0.00 C ATOM 1692 CE1 PHE B 14 -5.459 -2.896 2.112 1.00 0.00 C ATOM 1693 CE2 PHE B 14 -4.727 -4.768 0.756 1.00 0.00 C ATOM 1694 CZ PHE B 14 -4.785 -3.389 0.990 1.00 0.00 C ATOM 0 H PHE B 14 -7.408 -5.331 6.027 1.00 0.00 H new ATOM 0 HA PHE B 14 -8.417 -4.842 3.349 1.00 0.00 H new ATOM 0 HB2 PHE B 14 -6.125 -6.179 4.652 1.00 0.00 H new ATOM 0 HB3 PHE B 14 -6.727 -7.115 3.298 1.00 0.00 H new ATOM 0 HD1 PHE B 14 -6.602 -3.400 3.865 1.00 0.00 H new ATOM 0 HD2 PHE B 14 -5.299 -6.719 1.465 1.00 0.00 H new ATOM 0 HE1 PHE B 14 -5.501 -1.832 2.293 1.00 0.00 H new ATOM 0 HE2 PHE B 14 -4.206 -5.147 -0.111 1.00 0.00 H new ATOM 0 HZ PHE B 14 -4.309 -2.705 0.303 1.00 0.00 H new ATOM 1704 N HIS B 15 -9.089 -7.779 4.726 1.00 0.00 N ATOM 1705 CA HIS B 15 -10.009 -8.941 4.566 1.00 0.00 C ATOM 1706 C HIS B 15 -11.440 -8.563 4.979 1.00 0.00 C ATOM 1707 O HIS B 15 -12.398 -9.154 4.520 1.00 0.00 O ATOM 1708 CB HIS B 15 -9.498 -10.112 5.432 1.00 0.00 C ATOM 1709 CG HIS B 15 -9.780 -11.436 4.762 1.00 0.00 C ATOM 1710 ND1 HIS B 15 -9.144 -12.604 5.151 1.00 0.00 N ATOM 1711 CD2 HIS B 15 -10.607 -11.792 3.720 1.00 0.00 C ATOM 1712 CE1 HIS B 15 -9.589 -13.595 4.357 1.00 0.00 C ATOM 1713 NE2 HIS B 15 -10.481 -13.155 3.468 1.00 0.00 N ATOM 0 H HIS B 15 -8.458 -7.828 5.526 1.00 0.00 H new ATOM 0 HA HIS B 15 -10.028 -9.239 3.518 1.00 0.00 H new ATOM 0 HB2 HIS B 15 -8.426 -10.005 5.600 1.00 0.00 H new ATOM 0 HB3 HIS B 15 -9.979 -10.084 6.410 1.00 0.00 H new ATOM 0 HD1 HIS B 15 -8.462 -12.696 5.904 1.00 0.00 H new ATOM 0 HD2 HIS B 15 -11.255 -11.117 3.181 1.00 0.00 H new ATOM 0 HE1 HIS B 15 -9.263 -14.622 4.431 1.00 0.00 H new ATOM 1721 N GLN B 16 -11.602 -7.599 5.845 1.00 0.00 N ATOM 1722 CA GLN B 16 -12.960 -7.214 6.280 1.00 0.00 C ATOM 1723 C GLN B 16 -13.727 -6.573 5.115 1.00 0.00 C ATOM 1724 O GLN B 16 -14.899 -6.829 4.912 1.00 0.00 O ATOM 1725 CB GLN B 16 -12.825 -6.218 7.437 1.00 0.00 C ATOM 1726 CG GLN B 16 -14.184 -5.597 7.737 1.00 0.00 C ATOM 1727 CD GLN B 16 -14.183 -4.983 9.139 1.00 0.00 C ATOM 1728 OE1 GLN B 16 -13.139 -4.785 9.728 1.00 0.00 O ATOM 1729 NE2 GLN B 16 -15.320 -4.673 9.702 1.00 0.00 N ATOM 0 H GLN B 16 -10.844 -7.064 6.267 1.00 0.00 H new ATOM 0 HA GLN B 16 -13.514 -8.094 6.606 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -12.441 -6.724 8.323 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -12.107 -5.440 7.178 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -14.414 -4.831 6.996 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -14.963 -6.356 7.664 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -16.196 -4.839 9.207 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -15.332 -4.264 10.637 1.00 0.00 H new ATOM 1738 N TYR B 17 -13.076 -5.750 4.338 1.00 0.00 N ATOM 1739 CA TYR B 17 -13.771 -5.099 3.187 1.00 0.00 C ATOM 1740 C TYR B 17 -13.592 -5.953 1.941 1.00 0.00 C ATOM 1741 O TYR B 17 -14.552 -6.394 1.342 1.00 0.00 O ATOM 1742 CB TYR B 17 -13.180 -3.704 2.956 1.00 0.00 C ATOM 1743 CG TYR B 17 -13.712 -2.758 4.011 1.00 0.00 C ATOM 1744 CD1 TYR B 17 -13.216 -2.823 5.319 1.00 0.00 C ATOM 1745 CD2 TYR B 17 -14.703 -1.825 3.683 1.00 0.00 C ATOM 1746 CE1 TYR B 17 -13.711 -1.954 6.299 1.00 0.00 C ATOM 1747 CE2 TYR B 17 -15.199 -0.957 4.664 1.00 0.00 C ATOM 1748 CZ TYR B 17 -14.702 -1.022 5.972 1.00 0.00 C ATOM 1749 OH TYR B 17 -15.190 -0.166 6.940 1.00 0.00 O ATOM 0 H TYR B 17 -12.094 -5.500 4.449 1.00 0.00 H new ATOM 0 HA TYR B 17 -14.835 -5.004 3.406 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -12.092 -3.745 3.002 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -13.444 -3.344 1.961 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -12.452 -3.543 5.572 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -15.085 -1.775 2.674 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -13.328 -2.003 7.308 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -15.964 -0.238 4.412 1.00 0.00 H new ATOM 0 HH TYR B 17 -16.170 -0.191 6.935 1.00 0.00 H new ATOM 1759 N SER B 18 -12.381 -6.204 1.548 1.00 0.00 N ATOM 1760 CA SER B 18 -12.169 -7.045 0.345 1.00 0.00 C ATOM 1761 C SER B 18 -12.957 -8.352 0.523 1.00 0.00 C ATOM 1762 O SER B 18 -13.297 -9.023 -0.432 1.00 0.00 O ATOM 1763 CB SER B 18 -10.668 -7.325 0.184 1.00 0.00 C ATOM 1764 OG SER B 18 -10.349 -7.390 -1.198 1.00 0.00 O ATOM 0 H SER B 18 -11.533 -5.866 2.004 1.00 0.00 H new ATOM 0 HA SER B 18 -12.520 -6.536 -0.553 1.00 0.00 H new ATOM 0 HB2 SER B 18 -10.086 -6.540 0.667 1.00 0.00 H new ATOM 0 HB3 SER B 18 -10.407 -8.263 0.674 1.00 0.00 H new ATOM 0 HG SER B 18 -9.387 -7.247 -1.319 1.00 0.00 H new ATOM 1770 N GLY B 19 -13.246 -8.709 1.751 1.00 0.00 N ATOM 1771 CA GLY B 19 -14.014 -9.964 2.028 1.00 0.00 C ATOM 1772 C GLY B 19 -15.485 -9.639 2.333 1.00 0.00 C ATOM 1773 O GLY B 19 -16.286 -10.527 2.547 1.00 0.00 O ATOM 0 H GLY B 19 -12.980 -8.179 2.581 1.00 0.00 H new ATOM 0 HA2 GLY B 19 -13.954 -10.631 1.168 1.00 0.00 H new ATOM 0 HA3 GLY B 19 -13.569 -10.491 2.872 1.00 0.00 H new ATOM 1777 N ARG B 20 -15.854 -8.383 2.351 1.00 0.00 N ATOM 1778 CA ARG B 20 -17.278 -8.026 2.638 1.00 0.00 C ATOM 1779 C ARG B 20 -18.194 -8.753 1.656 1.00 0.00 C ATOM 1780 O ARG B 20 -19.263 -9.211 2.010 1.00 0.00 O ATOM 1781 CB ARG B 20 -17.453 -6.508 2.483 1.00 0.00 C ATOM 1782 CG ARG B 20 -18.920 -6.083 2.663 1.00 0.00 C ATOM 1783 CD ARG B 20 -19.068 -4.629 2.219 1.00 0.00 C ATOM 1784 NE ARG B 20 -20.458 -4.159 2.482 1.00 0.00 N ATOM 1785 CZ ARG B 20 -21.419 -4.457 1.650 1.00 0.00 C ATOM 1786 NH1 ARG B 20 -21.172 -5.196 0.604 1.00 0.00 N ATOM 1787 NH2 ARG B 20 -22.629 -4.017 1.868 1.00 0.00 N ATOM 0 H ARG B 20 -15.234 -7.591 2.180 1.00 0.00 H new ATOM 0 HA ARG B 20 -17.537 -8.323 3.654 1.00 0.00 H new ATOM 0 HB2 ARG B 20 -16.832 -5.993 3.217 1.00 0.00 H new ATOM 0 HB3 ARG B 20 -17.103 -6.200 1.498 1.00 0.00 H new ATOM 0 HG2 ARG B 20 -19.574 -6.726 2.074 1.00 0.00 H new ATOM 0 HG3 ARG B 20 -19.220 -6.192 3.705 1.00 0.00 H new ATOM 0 HD2 ARG B 20 -18.355 -4.002 2.754 1.00 0.00 H new ATOM 0 HD3 ARG B 20 -18.839 -4.538 1.157 1.00 0.00 H new ATOM 0 HE ARG B 20 -20.659 -3.604 3.314 1.00 0.00 H new ATOM 0 HH11 ARG B 20 -20.227 -5.542 0.435 1.00 0.00 H new ATOM 0 HH12 ARG B 20 -21.924 -5.428 -0.045 1.00 0.00 H new ATOM 0 HH21 ARG B 20 -22.822 -3.441 2.687 1.00 0.00 H new ATOM 0 HH22 ARG B 20 -23.381 -4.249 1.219 1.00 0.00 H new ATOM 1801 N GLU B 21 -17.789 -8.861 0.425 1.00 0.00 N ATOM 1802 CA GLU B 21 -18.661 -9.565 -0.566 1.00 0.00 C ATOM 1803 C GLU B 21 -17.899 -9.883 -1.857 1.00 0.00 C ATOM 1804 O GLU B 21 -16.778 -9.461 -2.056 1.00 0.00 O ATOM 1805 CB GLU B 21 -19.865 -8.681 -0.899 1.00 0.00 C ATOM 1806 CG GLU B 21 -19.389 -7.269 -1.246 1.00 0.00 C ATOM 1807 CD GLU B 21 -20.584 -6.429 -1.699 1.00 0.00 C ATOM 1808 OE1 GLU B 21 -21.701 -6.815 -1.399 1.00 0.00 O ATOM 1809 OE2 GLU B 21 -20.362 -5.415 -2.341 1.00 0.00 O ATOM 0 H GLU B 21 -16.907 -8.501 0.060 1.00 0.00 H new ATOM 0 HA GLU B 21 -18.989 -10.505 -0.122 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -20.418 -9.105 -1.737 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -20.548 -8.646 -0.051 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -18.915 -6.809 -0.379 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -18.638 -7.310 -2.035 1.00 0.00 H new ATOM 1816 N GLY B 22 -18.522 -10.628 -2.737 1.00 0.00 N ATOM 1817 CA GLY B 22 -17.876 -10.989 -4.034 1.00 0.00 C ATOM 1818 C GLY B 22 -16.720 -11.955 -3.806 1.00 0.00 C ATOM 1819 O GLY B 22 -16.743 -12.770 -2.903 1.00 0.00 O ATOM 0 H GLY B 22 -19.461 -11.005 -2.609 1.00 0.00 H new ATOM 0 HA2 GLY B 22 -18.611 -11.443 -4.699 1.00 0.00 H new ATOM 0 HA3 GLY B 22 -17.512 -10.088 -4.529 1.00 0.00 H new ATOM 1823 N ASP B 23 -15.708 -11.873 -4.628 1.00 0.00 N ATOM 1824 CA ASP B 23 -14.542 -12.784 -4.476 1.00 0.00 C ATOM 1825 C ASP B 23 -14.110 -12.821 -3.012 1.00 0.00 C ATOM 1826 O ASP B 23 -14.605 -12.078 -2.188 1.00 0.00 O ATOM 1827 CB ASP B 23 -13.388 -12.287 -5.348 1.00 0.00 C ATOM 1828 CG ASP B 23 -13.834 -12.274 -6.811 1.00 0.00 C ATOM 1829 OD1 ASP B 23 -14.491 -11.324 -7.201 1.00 0.00 O ATOM 1830 OD2 ASP B 23 -13.510 -13.215 -7.517 1.00 0.00 O ATOM 0 H ASP B 23 -15.641 -11.211 -5.401 1.00 0.00 H new ATOM 0 HA ASP B 23 -14.821 -13.789 -4.791 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -13.087 -11.286 -5.038 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -12.519 -12.934 -5.226 1.00 0.00 H new ATOM 1835 N LYS B 24 -13.207 -13.694 -2.678 1.00 0.00 N ATOM 1836 CA LYS B 24 -12.765 -13.799 -1.263 1.00 0.00 C ATOM 1837 C LYS B 24 -11.842 -12.624 -0.895 1.00 0.00 C ATOM 1838 O LYS B 24 -11.445 -12.493 0.246 1.00 0.00 O ATOM 1839 CB LYS B 24 -12.028 -15.146 -1.065 1.00 0.00 C ATOM 1840 CG LYS B 24 -12.472 -15.822 0.242 1.00 0.00 C ATOM 1841 CD LYS B 24 -12.050 -14.965 1.438 1.00 0.00 C ATOM 1842 CE LYS B 24 -12.235 -15.766 2.727 1.00 0.00 C ATOM 1843 NZ LYS B 24 -13.673 -16.126 2.889 1.00 0.00 N ATOM 0 H LYS B 24 -12.755 -14.341 -3.324 1.00 0.00 H new ATOM 0 HA LYS B 24 -13.636 -13.759 -0.609 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -12.232 -15.805 -1.909 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -10.951 -14.978 -1.045 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -13.554 -15.957 0.243 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -12.027 -16.814 0.319 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -11.009 -14.661 1.332 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -12.646 -14.053 1.475 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -11.625 -16.669 2.697 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -11.897 -15.181 3.582 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -13.844 -16.440 3.866 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -14.264 -15.295 2.683 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -13.915 -16.894 2.231 1.00 0.00 H new ATOM 1857 N HIS B 25 -11.476 -11.771 -1.823 1.00 0.00 N ATOM 1858 CA HIS B 25 -10.568 -10.648 -1.428 1.00 0.00 C ATOM 1859 C HIS B 25 -10.410 -9.602 -2.550 1.00 0.00 C ATOM 1860 O HIS B 25 -9.339 -9.421 -3.095 1.00 0.00 O ATOM 1861 CB HIS B 25 -9.185 -11.238 -1.040 1.00 0.00 C ATOM 1862 CG HIS B 25 -8.586 -10.476 0.116 1.00 0.00 C ATOM 1863 ND1 HIS B 25 -8.514 -11.012 1.396 1.00 0.00 N ATOM 1864 CD2 HIS B 25 -8.027 -9.224 0.202 1.00 0.00 C ATOM 1865 CE1 HIS B 25 -7.932 -10.092 2.189 1.00 0.00 C ATOM 1866 NE2 HIS B 25 -7.617 -8.988 1.510 1.00 0.00 N ATOM 0 H HIS B 25 -11.755 -11.800 -2.804 1.00 0.00 H new ATOM 0 HA HIS B 25 -11.011 -10.130 -0.578 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -9.295 -12.289 -0.772 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -8.513 -11.196 -1.897 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -7.922 -8.530 -0.619 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -7.744 -10.231 3.243 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -7.169 -8.147 1.874 1.00 0.00 H new ATOM 1874 N LYS B 26 -11.452 -8.871 -2.868 1.00 0.00 N ATOM 1875 CA LYS B 26 -11.340 -7.801 -3.909 1.00 0.00 C ATOM 1876 C LYS B 26 -12.184 -6.614 -3.445 1.00 0.00 C ATOM 1877 O LYS B 26 -13.176 -6.781 -2.761 1.00 0.00 O ATOM 1878 CB LYS B 26 -11.846 -8.314 -5.267 1.00 0.00 C ATOM 1879 CG LYS B 26 -10.710 -9.040 -6.001 1.00 0.00 C ATOM 1880 CD LYS B 26 -11.254 -9.730 -7.256 1.00 0.00 C ATOM 1881 CE LYS B 26 -11.979 -8.714 -8.147 1.00 0.00 C ATOM 1882 NZ LYS B 26 -12.047 -9.237 -9.541 1.00 0.00 N ATOM 0 H LYS B 26 -12.377 -8.970 -2.450 1.00 0.00 H new ATOM 0 HA LYS B 26 -10.299 -7.505 -4.035 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -12.688 -8.990 -5.120 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -12.208 -7.481 -5.870 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -9.931 -8.329 -6.276 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -10.252 -9.776 -5.341 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -10.436 -10.192 -7.809 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -11.938 -10.530 -6.973 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -12.984 -8.532 -7.766 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -11.454 -7.759 -8.130 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -12.539 -8.549 -10.146 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -11.084 -9.390 -9.902 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -12.566 -10.138 -9.549 1.00 0.00 H new ATOM 1896 N LEU B 27 -11.790 -5.414 -3.785 1.00 0.00 N ATOM 1897 CA LEU B 27 -12.564 -4.213 -3.326 1.00 0.00 C ATOM 1898 C LEU B 27 -13.569 -3.759 -4.392 1.00 0.00 C ATOM 1899 O LEU B 27 -13.255 -3.603 -5.555 1.00 0.00 O ATOM 1900 CB LEU B 27 -11.589 -3.043 -3.036 1.00 0.00 C ATOM 1901 CG LEU B 27 -11.274 -2.921 -1.530 1.00 0.00 C ATOM 1902 CD1 LEU B 27 -10.243 -3.979 -1.132 1.00 0.00 C ATOM 1903 CD2 LEU B 27 -10.717 -1.524 -1.258 1.00 0.00 C ATOM 0 H LEU B 27 -10.971 -5.210 -4.357 1.00 0.00 H new ATOM 0 HA LEU B 27 -13.107 -4.491 -2.423 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -10.663 -3.196 -3.590 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -12.024 -2.110 -3.393 1.00 0.00 H new ATOM 0 HG LEU B 27 -12.181 -3.077 -0.946 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -10.023 -3.890 -0.068 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -10.642 -4.972 -1.338 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -9.328 -3.830 -1.706 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -10.490 -1.423 -0.197 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -9.807 -1.375 -1.840 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -11.456 -0.776 -1.543 1.00 0.00 H new ATOM 1915 N LYS B 28 -14.765 -3.491 -3.953 1.00 0.00 N ATOM 1916 CA LYS B 28 -15.835 -2.971 -4.857 1.00 0.00 C ATOM 1917 C LYS B 28 -16.127 -1.532 -4.439 1.00 0.00 C ATOM 1918 O LYS B 28 -15.885 -1.158 -3.310 1.00 0.00 O ATOM 1919 CB LYS B 28 -17.112 -3.794 -4.691 1.00 0.00 C ATOM 1920 CG LYS B 28 -16.802 -5.276 -4.860 1.00 0.00 C ATOM 1921 CD LYS B 28 -18.109 -6.065 -4.793 1.00 0.00 C ATOM 1922 CE LYS B 28 -17.812 -7.559 -4.866 1.00 0.00 C ATOM 1923 NZ LYS B 28 -16.739 -7.897 -3.889 1.00 0.00 N ATOM 0 H LYS B 28 -15.056 -3.612 -2.983 1.00 0.00 H new ATOM 0 HA LYS B 28 -15.508 -3.030 -5.895 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -17.545 -3.614 -3.707 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -17.853 -3.483 -5.427 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -16.304 -5.451 -5.814 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -16.119 -5.610 -4.079 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -18.637 -5.834 -3.868 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -18.763 -5.774 -5.615 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -18.713 -8.132 -4.646 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -17.500 -7.830 -5.874 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -16.887 -8.862 -3.531 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -15.812 -7.840 -4.358 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -16.768 -7.225 -3.096 1.00 0.00 H new ATOM 1937 N LYS B 29 -16.652 -0.714 -5.314 1.00 0.00 N ATOM 1938 CA LYS B 29 -16.955 0.691 -4.909 1.00 0.00 C ATOM 1939 C LYS B 29 -17.703 0.664 -3.572 1.00 0.00 C ATOM 1940 O LYS B 29 -17.475 1.477 -2.700 1.00 0.00 O ATOM 1941 CB LYS B 29 -17.824 1.363 -5.975 1.00 0.00 C ATOM 1942 CG LYS B 29 -17.020 1.514 -7.271 1.00 0.00 C ATOM 1943 CD LYS B 29 -17.712 2.521 -8.196 1.00 0.00 C ATOM 1944 CE LYS B 29 -19.142 2.056 -8.510 1.00 0.00 C ATOM 1945 NZ LYS B 29 -20.063 2.523 -7.436 1.00 0.00 N ATOM 0 H LYS B 29 -16.881 -0.953 -6.279 1.00 0.00 H new ATOM 0 HA LYS B 29 -16.028 1.255 -4.806 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -18.719 0.768 -6.157 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -18.156 2.340 -5.625 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -16.008 1.850 -7.045 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -16.932 0.549 -7.770 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -17.736 3.503 -7.723 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -17.145 2.626 -9.121 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -19.461 2.451 -9.475 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -19.174 0.969 -8.584 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -20.385 1.708 -6.876 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -19.563 3.193 -6.817 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -20.885 2.995 -7.864 1.00 0.00 H new ATOM 1959 N SER B 30 -18.583 -0.287 -3.407 1.00 0.00 N ATOM 1960 CA SER B 30 -19.337 -0.396 -2.127 1.00 0.00 C ATOM 1961 C SER B 30 -18.343 -0.458 -0.966 1.00 0.00 C ATOM 1962 O SER B 30 -18.685 -0.211 0.167 1.00 0.00 O ATOM 1963 CB SER B 30 -20.182 -1.671 -2.137 1.00 0.00 C ATOM 1964 OG SER B 30 -21.010 -1.678 -3.292 1.00 0.00 O ATOM 0 H SER B 30 -18.812 -0.994 -4.106 1.00 0.00 H new ATOM 0 HA SER B 30 -19.989 0.470 -2.012 1.00 0.00 H new ATOM 0 HB2 SER B 30 -19.536 -2.549 -2.134 1.00 0.00 H new ATOM 0 HB3 SER B 30 -20.794 -1.722 -1.237 1.00 0.00 H new ATOM 0 HG SER B 30 -21.551 -2.495 -3.302 1.00 0.00 H new ATOM 1970 N GLU B 31 -17.105 -0.773 -1.250 1.00 0.00 N ATOM 1971 CA GLU B 31 -16.069 -0.839 -0.175 1.00 0.00 C ATOM 1972 C GLU B 31 -15.248 0.442 -0.213 1.00 0.00 C ATOM 1973 O GLU B 31 -14.942 1.024 0.803 1.00 0.00 O ATOM 1974 CB GLU B 31 -15.161 -2.047 -0.410 1.00 0.00 C ATOM 1975 CG GLU B 31 -15.952 -3.331 -0.150 1.00 0.00 C ATOM 1976 CD GLU B 31 -15.113 -4.542 -0.559 1.00 0.00 C ATOM 1977 OE1 GLU B 31 -13.937 -4.558 -0.237 1.00 0.00 O ATOM 1978 OE2 GLU B 31 -15.661 -5.435 -1.185 1.00 0.00 O ATOM 0 H GLU B 31 -16.765 -0.989 -2.187 1.00 0.00 H new ATOM 0 HA GLU B 31 -16.546 -0.943 0.799 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -14.783 -2.039 -1.432 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -14.295 -2.000 0.250 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -16.217 -3.399 0.905 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -16.885 -3.316 -0.713 1.00 0.00 H new ATOM 1985 N LEU B 32 -14.898 0.893 -1.378 1.00 0.00 N ATOM 1986 CA LEU B 32 -14.100 2.140 -1.466 1.00 0.00 C ATOM 1987 C LEU B 32 -14.943 3.305 -0.938 1.00 0.00 C ATOM 1988 O LEU B 32 -14.509 4.061 -0.096 1.00 0.00 O ATOM 1989 CB LEU B 32 -13.664 2.368 -2.939 1.00 0.00 C ATOM 1990 CG LEU B 32 -12.179 2.775 -3.019 1.00 0.00 C ATOM 1991 CD1 LEU B 32 -11.705 2.745 -4.478 1.00 0.00 C ATOM 1992 CD2 LEU B 32 -12.016 4.186 -2.458 1.00 0.00 C ATOM 0 H LEU B 32 -15.128 0.455 -2.270 1.00 0.00 H new ATOM 0 HA LEU B 32 -13.198 2.066 -0.858 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -13.827 1.457 -3.515 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -14.282 3.145 -3.389 1.00 0.00 H new ATOM 0 HG LEU B 32 -11.580 2.074 -2.437 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -10.655 3.034 -4.525 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -11.823 1.738 -4.878 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -12.300 3.442 -5.068 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -10.968 4.480 -2.512 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -12.618 4.882 -3.042 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -12.345 4.205 -1.419 1.00 0.00 H new ATOM 2004 N LYS B 33 -16.149 3.448 -1.405 1.00 0.00 N ATOM 2005 CA LYS B 33 -17.005 4.548 -0.905 1.00 0.00 C ATOM 2006 C LYS B 33 -17.333 4.298 0.572 1.00 0.00 C ATOM 2007 O LYS B 33 -17.394 5.210 1.372 1.00 0.00 O ATOM 2008 CB LYS B 33 -18.287 4.557 -1.737 1.00 0.00 C ATOM 2009 CG LYS B 33 -18.966 5.929 -1.667 1.00 0.00 C ATOM 2010 CD LYS B 33 -20.342 5.845 -2.355 1.00 0.00 C ATOM 2011 CE LYS B 33 -21.419 5.459 -1.334 1.00 0.00 C ATOM 2012 NZ LYS B 33 -22.725 5.274 -2.031 1.00 0.00 N ATOM 0 H LYS B 33 -16.577 2.849 -2.111 1.00 0.00 H new ATOM 0 HA LYS B 33 -16.498 5.509 -0.992 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -18.056 4.312 -2.774 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -18.969 3.789 -1.372 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -19.083 6.238 -0.628 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -18.346 6.681 -2.156 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -20.589 6.804 -2.810 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -20.311 5.109 -3.159 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -21.136 4.540 -0.821 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -21.508 6.234 -0.573 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -23.455 5.012 -1.338 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -22.996 6.161 -2.501 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -22.636 4.519 -2.741 1.00 0.00 H new ATOM 2026 N GLU B 34 -17.570 3.064 0.924 1.00 0.00 N ATOM 2027 CA GLU B 34 -17.926 2.749 2.344 1.00 0.00 C ATOM 2028 C GLU B 34 -16.678 2.778 3.222 1.00 0.00 C ATOM 2029 O GLU B 34 -16.737 3.114 4.389 1.00 0.00 O ATOM 2030 CB GLU B 34 -18.575 1.369 2.428 1.00 0.00 C ATOM 2031 CG GLU B 34 -19.078 1.129 3.852 1.00 0.00 C ATOM 2032 CD GLU B 34 -19.926 -0.143 3.888 1.00 0.00 C ATOM 2033 OE1 GLU B 34 -19.348 -1.218 3.895 1.00 0.00 O ATOM 2034 OE2 GLU B 34 -21.141 -0.022 3.907 1.00 0.00 O ATOM 0 H GLU B 34 -17.534 2.261 0.296 1.00 0.00 H new ATOM 0 HA GLU B 34 -18.630 3.502 2.699 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -19.403 1.301 1.722 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -17.855 0.599 2.150 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -18.234 1.035 4.536 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -19.668 1.981 4.189 1.00 0.00 H new ATOM 2041 N LEU B 35 -15.550 2.433 2.677 1.00 0.00 N ATOM 2042 CA LEU B 35 -14.303 2.445 3.488 1.00 0.00 C ATOM 2043 C LEU B 35 -13.835 3.897 3.659 1.00 0.00 C ATOM 2044 O LEU B 35 -13.207 4.245 4.639 1.00 0.00 O ATOM 2045 CB LEU B 35 -13.234 1.604 2.773 1.00 0.00 C ATOM 2046 CG LEU B 35 -11.934 1.550 3.597 1.00 0.00 C ATOM 2047 CD1 LEU B 35 -12.088 0.581 4.776 1.00 0.00 C ATOM 2048 CD2 LEU B 35 -10.793 1.060 2.702 1.00 0.00 C ATOM 0 H LEU B 35 -15.436 2.143 1.706 1.00 0.00 H new ATOM 0 HA LEU B 35 -14.481 2.017 4.474 1.00 0.00 H new ATOM 0 HB2 LEU B 35 -13.609 0.593 2.611 1.00 0.00 H new ATOM 0 HB3 LEU B 35 -13.029 2.029 1.790 1.00 0.00 H new ATOM 0 HG LEU B 35 -11.717 2.548 3.979 1.00 0.00 H new ATOM 0 HD11 LEU B 35 -11.161 0.554 5.348 1.00 0.00 H new ATOM 0 HD12 LEU B 35 -12.902 0.917 5.419 1.00 0.00 H new ATOM 0 HD13 LEU B 35 -12.311 -0.417 4.400 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -9.869 1.019 3.279 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -11.029 0.065 2.324 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -10.667 1.746 1.864 1.00 0.00 H new ATOM 2060 N ILE B 36 -14.141 4.746 2.714 1.00 0.00 N ATOM 2061 CA ILE B 36 -13.722 6.175 2.821 1.00 0.00 C ATOM 2062 C ILE B 36 -14.628 6.899 3.827 1.00 0.00 C ATOM 2063 O ILE B 36 -14.176 7.698 4.623 1.00 0.00 O ATOM 2064 CB ILE B 36 -13.840 6.835 1.437 1.00 0.00 C ATOM 2065 CG1 ILE B 36 -12.693 6.347 0.548 1.00 0.00 C ATOM 2066 CG2 ILE B 36 -13.764 8.362 1.561 1.00 0.00 C ATOM 2067 CD1 ILE B 36 -12.944 6.783 -0.898 1.00 0.00 C ATOM 0 H ILE B 36 -14.664 4.511 1.871 1.00 0.00 H new ATOM 0 HA ILE B 36 -12.690 6.236 3.166 1.00 0.00 H new ATOM 0 HB ILE B 36 -14.800 6.563 0.998 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -11.746 6.754 0.902 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -12.613 5.261 0.603 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -13.849 8.812 0.572 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -14.579 8.717 2.192 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -12.810 8.644 2.007 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -12.127 6.435 -1.530 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -13.882 6.354 -1.250 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -13.002 7.870 -0.945 1.00 0.00 H new ATOM 2079 N ASN B 37 -15.903 6.632 3.785 1.00 0.00 N ATOM 2080 CA ASN B 37 -16.847 7.308 4.722 1.00 0.00 C ATOM 2081 C ASN B 37 -16.808 6.628 6.094 1.00 0.00 C ATOM 2082 O ASN B 37 -17.184 7.208 7.094 1.00 0.00 O ATOM 2083 CB ASN B 37 -18.265 7.220 4.151 1.00 0.00 C ATOM 2084 CG ASN B 37 -19.250 7.884 5.116 1.00 0.00 C ATOM 2085 OD1 ASN B 37 -19.063 9.016 5.512 1.00 0.00 O ATOM 2086 ND2 ASN B 37 -20.301 7.219 5.512 1.00 0.00 N ATOM 0 H ASN B 37 -16.335 5.971 3.139 1.00 0.00 H new ATOM 0 HA ASN B 37 -16.554 8.352 4.837 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -18.307 7.710 3.178 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -18.541 6.177 3.995 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -20.965 7.651 6.154 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -20.458 6.268 5.179 1.00 0.00 H new ATOM 2093 N ASN B 38 -16.402 5.388 6.146 1.00 0.00 N ATOM 2094 CA ASN B 38 -16.386 4.661 7.454 1.00 0.00 C ATOM 2095 C ASN B 38 -15.025 4.781 8.151 1.00 0.00 C ATOM 2096 O ASN B 38 -14.962 4.992 9.346 1.00 0.00 O ATOM 2097 CB ASN B 38 -16.694 3.182 7.207 1.00 0.00 C ATOM 2098 CG ASN B 38 -16.863 2.460 8.544 1.00 0.00 C ATOM 2099 OD1 ASN B 38 -17.712 2.814 9.338 1.00 0.00 O ATOM 2100 ND2 ASN B 38 -16.083 1.453 8.828 1.00 0.00 N ATOM 0 H ASN B 38 -16.081 4.846 5.344 1.00 0.00 H new ATOM 0 HA ASN B 38 -17.139 5.109 8.102 1.00 0.00 H new ATOM 0 HB2 ASN B 38 -17.602 3.084 6.613 1.00 0.00 H new ATOM 0 HB3 ASN B 38 -15.888 2.723 6.635 1.00 0.00 H new ATOM 0 HD21 ASN B 38 -16.186 0.963 9.717 1.00 0.00 H new ATOM 0 HD22 ASN B 38 -15.370 1.156 8.161 1.00 0.00 H new ATOM 2107 N GLU B 39 -13.940 4.625 7.434 1.00 0.00 N ATOM 2108 CA GLU B 39 -12.585 4.706 8.084 1.00 0.00 C ATOM 2109 C GLU B 39 -11.868 6.002 7.703 1.00 0.00 C ATOM 2110 O GLU B 39 -11.605 6.843 8.539 1.00 0.00 O ATOM 2111 CB GLU B 39 -11.738 3.518 7.623 1.00 0.00 C ATOM 2112 CG GLU B 39 -12.439 2.206 7.995 1.00 0.00 C ATOM 2113 CD GLU B 39 -12.581 2.105 9.515 1.00 0.00 C ATOM 2114 OE1 GLU B 39 -13.547 2.637 10.037 1.00 0.00 O ATOM 2115 OE2 GLU B 39 -11.720 1.499 10.132 1.00 0.00 O ATOM 0 H GLU B 39 -13.928 4.446 6.430 1.00 0.00 H new ATOM 0 HA GLU B 39 -12.719 4.687 9.166 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -11.584 3.566 6.545 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -10.753 3.559 8.088 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -13.422 2.163 7.525 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -11.868 1.358 7.617 1.00 0.00 H new ATOM 2122 N LEU B 40 -11.530 6.164 6.456 1.00 0.00 N ATOM 2123 CA LEU B 40 -10.807 7.399 6.036 1.00 0.00 C ATOM 2124 C LEU B 40 -11.776 8.591 6.057 1.00 0.00 C ATOM 2125 O LEU B 40 -11.625 9.538 5.316 1.00 0.00 O ATOM 2126 CB LEU B 40 -10.217 7.213 4.618 1.00 0.00 C ATOM 2127 CG LEU B 40 -9.907 5.730 4.333 1.00 0.00 C ATOM 2128 CD1 LEU B 40 -9.273 5.617 2.948 1.00 0.00 C ATOM 2129 CD2 LEU B 40 -8.924 5.165 5.370 1.00 0.00 C ATOM 0 H LEU B 40 -11.722 5.497 5.709 1.00 0.00 H new ATOM 0 HA LEU B 40 -9.988 7.591 6.729 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -10.921 7.589 3.876 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -9.306 7.803 4.520 1.00 0.00 H new ATOM 0 HG LEU B 40 -10.837 5.163 4.384 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -9.049 4.572 2.735 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -9.966 6.000 2.198 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -8.351 6.198 2.921 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -8.722 4.117 5.147 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -7.993 5.730 5.334 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -9.359 5.246 6.366 1.00 0.00 H new ATOM 2141 N SER B 41 -12.775 8.548 6.898 1.00 0.00 N ATOM 2142 CA SER B 41 -13.752 9.673 6.954 1.00 0.00 C ATOM 2143 C SER B 41 -13.182 10.847 7.763 1.00 0.00 C ATOM 2144 O SER B 41 -13.672 11.955 7.680 1.00 0.00 O ATOM 2145 CB SER B 41 -15.042 9.172 7.616 1.00 0.00 C ATOM 2146 OG SER B 41 -15.052 9.544 8.990 1.00 0.00 O ATOM 0 H SER B 41 -12.956 7.783 7.548 1.00 0.00 H new ATOM 0 HA SER B 41 -13.956 10.021 5.941 1.00 0.00 H new ATOM 0 HB2 SER B 41 -15.910 9.594 7.109 1.00 0.00 H new ATOM 0 HB3 SER B 41 -15.113 8.088 7.522 1.00 0.00 H new ATOM 0 HG SER B 41 -15.878 9.224 9.410 1.00 0.00 H new ATOM 2152 N HIS B 42 -12.165 10.619 8.556 1.00 0.00 N ATOM 2153 CA HIS B 42 -11.589 11.734 9.376 1.00 0.00 C ATOM 2154 C HIS B 42 -10.400 12.371 8.650 1.00 0.00 C ATOM 2155 O HIS B 42 -10.076 13.520 8.878 1.00 0.00 O ATOM 2156 CB HIS B 42 -11.117 11.181 10.721 1.00 0.00 C ATOM 2157 CG HIS B 42 -10.690 12.313 11.620 1.00 0.00 C ATOM 2158 ND1 HIS B 42 -9.625 12.192 12.502 1.00 0.00 N ATOM 2159 CD2 HIS B 42 -11.171 13.591 11.789 1.00 0.00 C ATOM 2160 CE1 HIS B 42 -9.502 13.361 13.155 1.00 0.00 C ATOM 2161 NE2 HIS B 42 -10.417 14.245 12.758 1.00 0.00 N ATOM 0 H HIS B 42 -11.709 9.714 8.672 1.00 0.00 H new ATOM 0 HA HIS B 42 -12.358 12.491 9.531 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -11.919 10.614 11.192 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -10.286 10.492 10.569 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -12.005 14.020 11.253 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -8.754 13.559 13.908 1.00 0.00 H new ATOM 0 HE2 HIS B 42 -10.539 15.200 13.094 1.00 0.00 H new ATOM 2170 N PHE B 43 -9.745 11.639 7.780 1.00 0.00 N ATOM 2171 CA PHE B 43 -8.571 12.204 7.040 1.00 0.00 C ATOM 2172 C PHE B 43 -8.955 12.417 5.576 1.00 0.00 C ATOM 2173 O PHE B 43 -8.434 13.295 4.916 1.00 0.00 O ATOM 2174 CB PHE B 43 -7.397 11.217 7.117 1.00 0.00 C ATOM 2175 CG PHE B 43 -6.705 11.344 8.457 1.00 0.00 C ATOM 2176 CD1 PHE B 43 -6.009 12.518 8.773 1.00 0.00 C ATOM 2177 CD2 PHE B 43 -6.754 10.292 9.381 1.00 0.00 C ATOM 2178 CE1 PHE B 43 -5.365 12.640 10.010 1.00 0.00 C ATOM 2179 CE2 PHE B 43 -6.109 10.414 10.617 1.00 0.00 C ATOM 2180 CZ PHE B 43 -5.414 11.588 10.932 1.00 0.00 C ATOM 0 H PHE B 43 -9.973 10.672 7.550 1.00 0.00 H new ATOM 0 HA PHE B 43 -8.279 13.154 7.487 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -7.758 10.198 6.979 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -6.690 11.416 6.312 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -5.969 13.330 8.062 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -7.290 9.386 9.139 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -4.830 13.546 10.253 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -6.147 9.602 11.328 1.00 0.00 H new ATOM 0 HZ PHE B 43 -4.916 11.682 11.886 1.00 0.00 H new ATOM 2190 N LEU B 44 -9.873 11.629 5.066 1.00 0.00 N ATOM 2191 CA LEU B 44 -10.312 11.787 3.643 1.00 0.00 C ATOM 2192 C LEU B 44 -11.766 12.266 3.626 1.00 0.00 C ATOM 2193 O LEU B 44 -12.629 11.678 4.247 1.00 0.00 O ATOM 2194 CB LEU B 44 -10.186 10.440 2.907 1.00 0.00 C ATOM 2195 CG LEU B 44 -10.031 10.670 1.392 1.00 0.00 C ATOM 2196 CD1 LEU B 44 -8.684 11.361 1.075 1.00 0.00 C ATOM 2197 CD2 LEU B 44 -10.109 9.316 0.674 1.00 0.00 C ATOM 0 H LEU B 44 -10.339 10.880 5.578 1.00 0.00 H new ATOM 0 HA LEU B 44 -9.682 12.519 3.137 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.326 9.889 3.288 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -11.067 9.829 3.100 1.00 0.00 H new ATOM 0 HG LEU B 44 -10.833 11.322 1.046 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -8.597 11.513 -0.001 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -8.641 12.325 1.582 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -7.863 10.733 1.420 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -10.000 9.467 -0.400 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -9.309 8.668 1.032 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -11.073 8.850 0.879 1.00 0.00 H new ATOM 2209 N GLU B 45 -12.043 13.331 2.928 1.00 0.00 N ATOM 2210 CA GLU B 45 -13.440 13.848 2.884 1.00 0.00 C ATOM 2211 C GLU B 45 -14.396 12.699 2.555 1.00 0.00 C ATOM 2212 O GLU B 45 -14.175 11.939 1.633 1.00 0.00 O ATOM 2213 CB GLU B 45 -13.553 14.939 1.808 1.00 0.00 C ATOM 2214 CG GLU B 45 -12.766 14.529 0.552 1.00 0.00 C ATOM 2215 CD GLU B 45 -11.287 14.901 0.713 1.00 0.00 C ATOM 2216 OE1 GLU B 45 -10.908 15.279 1.810 1.00 0.00 O ATOM 2217 OE2 GLU B 45 -10.563 14.802 -0.263 1.00 0.00 O ATOM 0 H GLU B 45 -11.364 13.866 2.386 1.00 0.00 H new ATOM 0 HA GLU B 45 -13.702 14.272 3.853 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -14.600 15.102 1.553 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -13.169 15.883 2.195 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -12.863 13.456 0.386 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -13.181 15.026 -0.325 1.00 0.00 H new ATOM 2224 N GLU B 46 -15.462 12.570 3.300 1.00 0.00 N ATOM 2225 CA GLU B 46 -16.433 11.475 3.025 1.00 0.00 C ATOM 2226 C GLU B 46 -17.109 11.742 1.678 1.00 0.00 C ATOM 2227 O GLU B 46 -18.009 12.552 1.575 1.00 0.00 O ATOM 2228 CB GLU B 46 -17.488 11.433 4.140 1.00 0.00 C ATOM 2229 CG GLU B 46 -17.832 12.861 4.583 1.00 0.00 C ATOM 2230 CD GLU B 46 -19.155 12.857 5.353 1.00 0.00 C ATOM 2231 OE1 GLU B 46 -19.389 11.910 6.086 1.00 0.00 O ATOM 2232 OE2 GLU B 46 -19.911 13.802 5.199 1.00 0.00 O ATOM 0 H GLU B 46 -15.701 13.175 4.085 1.00 0.00 H new ATOM 0 HA GLU B 46 -15.915 10.516 2.992 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -18.385 10.926 3.785 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -17.112 10.860 4.988 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -17.035 13.259 5.212 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -17.908 13.514 3.713 1.00 0.00 H new ATOM 2239 N ILE B 47 -16.682 11.078 0.640 1.00 0.00 N ATOM 2240 CA ILE B 47 -17.304 11.318 -0.690 1.00 0.00 C ATOM 2241 C ILE B 47 -18.780 10.913 -0.652 1.00 0.00 C ATOM 2242 O ILE B 47 -19.149 9.904 -0.085 1.00 0.00 O ATOM 2243 CB ILE B 47 -16.569 10.515 -1.775 1.00 0.00 C ATOM 2244 CG1 ILE B 47 -16.510 9.031 -1.400 1.00 0.00 C ATOM 2245 CG2 ILE B 47 -15.143 11.043 -1.920 1.00 0.00 C ATOM 2246 CD1 ILE B 47 -16.018 8.219 -2.604 1.00 0.00 C ATOM 0 H ILE B 47 -15.934 10.384 0.655 1.00 0.00 H new ATOM 0 HA ILE B 47 -17.228 12.379 -0.928 1.00 0.00 H new ATOM 0 HB ILE B 47 -17.111 10.625 -2.714 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -15.841 8.886 -0.552 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -17.496 8.683 -1.092 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -14.621 10.474 -2.689 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -15.172 12.095 -2.203 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -14.618 10.937 -0.971 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -15.976 7.163 -2.338 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -16.704 8.355 -3.440 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -15.024 8.561 -2.892 1.00 0.00 H new ATOM 2258 N LYS B 48 -19.628 11.700 -1.262 1.00 0.00 N ATOM 2259 CA LYS B 48 -21.088 11.382 -1.291 1.00 0.00 C ATOM 2260 C LYS B 48 -21.436 10.910 -2.699 1.00 0.00 C ATOM 2261 O LYS B 48 -22.456 10.290 -2.930 1.00 0.00 O ATOM 2262 CB LYS B 48 -21.892 12.642 -0.961 1.00 0.00 C ATOM 2263 CG LYS B 48 -21.401 13.224 0.367 1.00 0.00 C ATOM 2264 CD LYS B 48 -22.196 14.491 0.708 1.00 0.00 C ATOM 2265 CE LYS B 48 -21.906 15.597 -0.319 1.00 0.00 C ATOM 2266 NZ LYS B 48 -22.145 16.927 0.311 1.00 0.00 N ATOM 0 H LYS B 48 -19.369 12.559 -1.747 1.00 0.00 H new ATOM 0 HA LYS B 48 -21.326 10.610 -0.559 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -21.779 13.378 -1.757 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -22.953 12.403 -0.896 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -21.516 12.487 1.162 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -20.338 13.458 0.301 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -23.263 14.267 0.719 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -21.932 14.836 1.708 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -20.875 15.526 -0.666 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -22.546 15.475 -1.193 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -21.950 17.679 -0.381 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -23.135 16.991 0.622 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -21.517 17.040 1.132 1.00 0.00 H new ATOM 2280 N GLU B 49 -20.577 11.205 -3.642 1.00 0.00 N ATOM 2281 CA GLU B 49 -20.804 10.792 -5.060 1.00 0.00 C ATOM 2282 C GLU B 49 -19.707 9.812 -5.469 1.00 0.00 C ATOM 2283 O GLU B 49 -18.545 10.009 -5.173 1.00 0.00 O ATOM 2284 CB GLU B 49 -20.740 12.027 -5.961 1.00 0.00 C ATOM 2285 CG GLU B 49 -21.965 12.907 -5.709 1.00 0.00 C ATOM 2286 CD GLU B 49 -21.920 14.122 -6.637 1.00 0.00 C ATOM 2287 OE1 GLU B 49 -21.827 13.923 -7.838 1.00 0.00 O ATOM 2288 OE2 GLU B 49 -21.981 15.232 -6.133 1.00 0.00 O ATOM 0 H GLU B 49 -19.713 11.724 -3.486 1.00 0.00 H new ATOM 0 HA GLU B 49 -21.781 10.319 -5.159 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -19.828 12.589 -5.761 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -20.705 11.725 -7.008 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -22.878 12.337 -5.883 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -21.985 13.231 -4.669 1.00 0.00 H new ATOM 2295 N GLN B 50 -20.062 8.757 -6.143 1.00 0.00 N ATOM 2296 CA GLN B 50 -19.033 7.768 -6.564 1.00 0.00 C ATOM 2297 C GLN B 50 -18.218 8.336 -7.729 1.00 0.00 C ATOM 2298 O GLN B 50 -17.146 7.863 -8.038 1.00 0.00 O ATOM 2299 CB GLN B 50 -19.729 6.482 -7.018 1.00 0.00 C ATOM 2300 CG GLN B 50 -20.673 6.800 -8.180 1.00 0.00 C ATOM 2301 CD GLN B 50 -21.588 5.604 -8.443 1.00 0.00 C ATOM 2302 OE1 GLN B 50 -21.571 5.037 -9.518 1.00 0.00 O ATOM 2303 NE2 GLN B 50 -22.395 5.195 -7.503 1.00 0.00 N ATOM 0 H GLN B 50 -21.018 8.536 -6.421 1.00 0.00 H new ATOM 0 HA GLN B 50 -18.369 7.556 -5.726 1.00 0.00 H new ATOM 0 HB2 GLN B 50 -18.989 5.744 -7.327 1.00 0.00 H new ATOM 0 HB3 GLN B 50 -20.287 6.045 -6.190 1.00 0.00 H new ATOM 0 HG2 GLN B 50 -21.269 7.682 -7.946 1.00 0.00 H new ATOM 0 HG3 GLN B 50 -20.097 7.033 -9.076 1.00 0.00 H new ATOM 0 HE21 GLN B 50 -22.410 5.671 -6.601 1.00 0.00 H new ATOM 0 HE22 GLN B 50 -23.011 4.400 -7.670 1.00 0.00 H new ATOM 2312 N GLU B 51 -18.728 9.332 -8.393 1.00 0.00 N ATOM 2313 CA GLU B 51 -17.997 9.908 -9.554 1.00 0.00 C ATOM 2314 C GLU B 51 -16.524 10.106 -9.236 1.00 0.00 C ATOM 2315 O GLU B 51 -15.672 9.865 -10.068 1.00 0.00 O ATOM 2316 CB GLU B 51 -18.624 11.247 -9.947 1.00 0.00 C ATOM 2317 CG GLU B 51 -20.073 11.022 -10.380 1.00 0.00 C ATOM 2318 CD GLU B 51 -20.660 12.333 -10.906 1.00 0.00 C ATOM 2319 OE1 GLU B 51 -20.568 13.325 -10.202 1.00 0.00 O ATOM 2320 OE2 GLU B 51 -21.192 12.322 -12.004 1.00 0.00 O ATOM 0 H GLU B 51 -19.623 9.774 -8.182 1.00 0.00 H new ATOM 0 HA GLU B 51 -18.074 9.207 -10.385 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -18.588 11.939 -9.106 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -18.057 11.702 -10.759 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -20.117 10.256 -11.154 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -20.663 10.659 -9.538 1.00 0.00 H new ATOM 2327 N VAL B 52 -16.196 10.517 -8.052 1.00 0.00 N ATOM 2328 CA VAL B 52 -14.759 10.689 -7.728 1.00 0.00 C ATOM 2329 C VAL B 52 -14.178 9.313 -7.477 1.00 0.00 C ATOM 2330 O VAL B 52 -13.069 9.012 -7.870 1.00 0.00 O ATOM 2331 CB VAL B 52 -14.595 11.566 -6.489 1.00 0.00 C ATOM 2332 CG1 VAL B 52 -15.193 12.949 -6.753 1.00 0.00 C ATOM 2333 CG2 VAL B 52 -15.319 10.913 -5.311 1.00 0.00 C ATOM 0 H VAL B 52 -16.850 10.740 -7.301 1.00 0.00 H new ATOM 0 HA VAL B 52 -14.240 11.178 -8.552 1.00 0.00 H new ATOM 0 HB VAL B 52 -13.535 11.672 -6.256 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -15.074 13.572 -5.867 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -14.679 13.413 -7.594 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -16.253 12.849 -6.986 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -15.205 11.535 -4.424 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -16.378 10.809 -5.547 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -14.891 9.929 -5.121 1.00 0.00 H new ATOM 2343 N VAL B 53 -14.924 8.463 -6.839 1.00 0.00 N ATOM 2344 CA VAL B 53 -14.410 7.097 -6.589 1.00 0.00 C ATOM 2345 C VAL B 53 -14.178 6.471 -7.961 1.00 0.00 C ATOM 2346 O VAL B 53 -13.350 5.602 -8.141 1.00 0.00 O ATOM 2347 CB VAL B 53 -15.426 6.306 -5.713 1.00 0.00 C ATOM 2348 CG1 VAL B 53 -16.201 5.256 -6.527 1.00 0.00 C ATOM 2349 CG2 VAL B 53 -14.694 5.589 -4.574 1.00 0.00 C ATOM 0 H VAL B 53 -15.860 8.654 -6.482 1.00 0.00 H new ATOM 0 HA VAL B 53 -13.474 7.092 -6.031 1.00 0.00 H new ATOM 0 HB VAL B 53 -16.135 7.034 -5.319 1.00 0.00 H new ATOM 0 HG11 VAL B 53 -16.897 4.730 -5.873 1.00 0.00 H new ATOM 0 HG12 VAL B 53 -16.755 5.751 -7.325 1.00 0.00 H new ATOM 0 HG13 VAL B 53 -15.501 4.542 -6.961 1.00 0.00 H new ATOM 0 HG21 VAL B 53 -15.414 5.039 -3.968 1.00 0.00 H new ATOM 0 HG22 VAL B 53 -13.965 4.894 -4.991 1.00 0.00 H new ATOM 0 HG23 VAL B 53 -14.182 6.323 -3.952 1.00 0.00 H new ATOM 2359 N ASP B 54 -14.892 6.958 -8.941 1.00 0.00 N ATOM 2360 CA ASP B 54 -14.707 6.449 -10.323 1.00 0.00 C ATOM 2361 C ASP B 54 -13.463 7.128 -10.883 1.00 0.00 C ATOM 2362 O ASP B 54 -12.747 6.582 -11.699 1.00 0.00 O ATOM 2363 CB ASP B 54 -15.926 6.809 -11.175 1.00 0.00 C ATOM 2364 CG ASP B 54 -15.841 6.086 -12.520 1.00 0.00 C ATOM 2365 OD1 ASP B 54 -14.762 5.631 -12.859 1.00 0.00 O ATOM 2366 OD2 ASP B 54 -16.859 5.998 -13.188 1.00 0.00 O ATOM 0 H ASP B 54 -15.596 7.689 -8.839 1.00 0.00 H new ATOM 0 HA ASP B 54 -14.596 5.365 -10.330 1.00 0.00 H new ATOM 0 HB2 ASP B 54 -16.842 6.527 -10.656 1.00 0.00 H new ATOM 0 HB3 ASP B 54 -15.968 7.887 -11.332 1.00 0.00 H new ATOM 2371 N LYS B 55 -13.200 8.323 -10.424 1.00 0.00 N ATOM 2372 CA LYS B 55 -11.996 9.064 -10.893 1.00 0.00 C ATOM 2373 C LYS B 55 -10.760 8.510 -10.184 1.00 0.00 C ATOM 2374 O LYS B 55 -9.808 8.087 -10.811 1.00 0.00 O ATOM 2375 CB LYS B 55 -12.139 10.547 -10.536 1.00 0.00 C ATOM 2376 CG LYS B 55 -11.017 11.372 -11.214 1.00 0.00 C ATOM 2377 CD LYS B 55 -10.590 12.555 -10.312 1.00 0.00 C ATOM 2378 CE LYS B 55 -9.430 12.134 -9.400 1.00 0.00 C ATOM 2379 NZ LYS B 55 -9.849 10.975 -8.566 1.00 0.00 N ATOM 0 H LYS B 55 -13.772 8.819 -9.740 1.00 0.00 H new ATOM 0 HA LYS B 55 -11.897 8.949 -11.972 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -13.114 10.913 -10.857 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -12.091 10.674 -9.455 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -10.158 10.732 -11.414 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -11.365 11.748 -12.176 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -10.289 13.402 -10.929 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -11.435 12.885 -9.708 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -8.560 11.868 -10.000 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -9.135 12.967 -8.762 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -9.167 10.839 -7.793 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -10.792 11.157 -8.167 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -9.881 10.118 -9.154 1.00 0.00 H new ATOM 2393 N VAL B 56 -10.768 8.507 -8.875 1.00 0.00 N ATOM 2394 CA VAL B 56 -9.597 7.980 -8.123 1.00 0.00 C ATOM 2395 C VAL B 56 -9.271 6.588 -8.662 1.00 0.00 C ATOM 2396 O VAL B 56 -8.128 6.251 -8.894 1.00 0.00 O ATOM 2397 CB VAL B 56 -9.928 7.941 -6.617 1.00 0.00 C ATOM 2398 CG1 VAL B 56 -10.734 6.684 -6.267 1.00 0.00 C ATOM 2399 CG2 VAL B 56 -8.630 7.949 -5.801 1.00 0.00 C ATOM 0 H VAL B 56 -11.537 8.848 -8.297 1.00 0.00 H new ATOM 0 HA VAL B 56 -8.727 8.623 -8.254 1.00 0.00 H new ATOM 0 HB VAL B 56 -10.525 8.821 -6.376 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -10.955 6.679 -5.200 1.00 0.00 H new ATOM 0 HG12 VAL B 56 -11.667 6.681 -6.831 1.00 0.00 H new ATOM 0 HG13 VAL B 56 -10.154 5.797 -6.521 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -8.868 7.921 -4.738 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -8.031 7.076 -6.061 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -8.066 8.855 -6.023 1.00 0.00 H new ATOM 2409 N MET B 57 -10.275 5.790 -8.892 1.00 0.00 N ATOM 2410 CA MET B 57 -10.022 4.440 -9.446 1.00 0.00 C ATOM 2411 C MET B 57 -9.368 4.607 -10.815 1.00 0.00 C ATOM 2412 O MET B 57 -8.558 3.808 -11.232 1.00 0.00 O ATOM 2413 CB MET B 57 -11.346 3.692 -9.586 1.00 0.00 C ATOM 2414 CG MET B 57 -11.836 3.265 -8.202 1.00 0.00 C ATOM 2415 SD MET B 57 -13.601 2.862 -8.293 1.00 0.00 S ATOM 2416 CE MET B 57 -13.460 1.079 -8.017 1.00 0.00 C ATOM 0 H MET B 57 -11.255 6.016 -8.720 1.00 0.00 H new ATOM 0 HA MET B 57 -9.368 3.870 -8.786 1.00 0.00 H new ATOM 0 HB2 MET B 57 -12.088 4.330 -10.066 1.00 0.00 H new ATOM 0 HB3 MET B 57 -11.217 2.818 -10.224 1.00 0.00 H new ATOM 0 HG2 MET B 57 -11.271 2.401 -7.854 1.00 0.00 H new ATOM 0 HG3 MET B 57 -11.670 4.066 -7.481 1.00 0.00 H new ATOM 0 HE1 MET B 57 -14.417 0.602 -8.227 1.00 0.00 H new ATOM 0 HE2 MET B 57 -12.697 0.668 -8.678 1.00 0.00 H new ATOM 0 HE3 MET B 57 -13.181 0.892 -6.980 1.00 0.00 H new ATOM 2426 N GLU B 58 -9.703 5.660 -11.510 1.00 0.00 N ATOM 2427 CA GLU B 58 -9.086 5.898 -12.842 1.00 0.00 C ATOM 2428 C GLU B 58 -7.604 6.196 -12.633 1.00 0.00 C ATOM 2429 O GLU B 58 -6.775 5.938 -13.483 1.00 0.00 O ATOM 2430 CB GLU B 58 -9.774 7.095 -13.521 1.00 0.00 C ATOM 2431 CG GLU B 58 -9.548 7.043 -15.037 1.00 0.00 C ATOM 2432 CD GLU B 58 -10.401 8.115 -15.717 1.00 0.00 C ATOM 2433 OE1 GLU B 58 -9.923 9.229 -15.849 1.00 0.00 O ATOM 2434 OE2 GLU B 58 -11.519 7.803 -16.094 1.00 0.00 O ATOM 0 H GLU B 58 -10.377 6.365 -11.211 1.00 0.00 H new ATOM 0 HA GLU B 58 -9.204 5.022 -13.479 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -10.842 7.081 -13.304 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -9.379 8.028 -13.118 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -8.494 7.204 -15.264 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -9.810 6.057 -15.421 1.00 0.00 H new ATOM 2441 N THR B 59 -7.271 6.734 -11.492 1.00 0.00 N ATOM 2442 CA THR B 59 -5.849 7.049 -11.193 1.00 0.00 C ATOM 2443 C THR B 59 -5.177 5.819 -10.588 1.00 0.00 C ATOM 2444 O THR B 59 -3.982 5.635 -10.702 1.00 0.00 O ATOM 2445 CB THR B 59 -5.781 8.199 -10.190 1.00 0.00 C ATOM 2446 OG1 THR B 59 -6.503 9.313 -10.698 1.00 0.00 O ATOM 2447 CG2 THR B 59 -4.320 8.589 -9.966 1.00 0.00 C ATOM 0 H THR B 59 -7.929 6.970 -10.750 1.00 0.00 H new ATOM 0 HA THR B 59 -5.339 7.335 -12.113 1.00 0.00 H new ATOM 0 HB THR B 59 -6.221 7.887 -9.243 1.00 0.00 H new ATOM 0 HG1 THR B 59 -6.461 10.051 -10.054 1.00 0.00 H new ATOM 0 HG21 THR B 59 -4.268 9.410 -9.251 1.00 0.00 H new ATOM 0 HG22 THR B 59 -3.770 7.732 -9.576 1.00 0.00 H new ATOM 0 HG23 THR B 59 -3.878 8.904 -10.912 1.00 0.00 H new ATOM 2455 N LEU B 60 -5.936 4.982 -9.922 1.00 0.00 N ATOM 2456 CA LEU B 60 -5.336 3.766 -9.281 1.00 0.00 C ATOM 2457 C LEU B 60 -5.555 2.526 -10.157 1.00 0.00 C ATOM 2458 O LEU B 60 -4.664 1.714 -10.305 1.00 0.00 O ATOM 2459 CB LEU B 60 -5.994 3.542 -7.910 1.00 0.00 C ATOM 2460 CG LEU B 60 -5.271 4.355 -6.825 1.00 0.00 C ATOM 2461 CD1 LEU B 60 -3.837 3.818 -6.596 1.00 0.00 C ATOM 2462 CD2 LEU B 60 -5.220 5.831 -7.238 1.00 0.00 C ATOM 0 H LEU B 60 -6.943 5.087 -9.794 1.00 0.00 H new ATOM 0 HA LEU B 60 -4.264 3.924 -9.163 1.00 0.00 H new ATOM 0 HB2 LEU B 60 -7.043 3.834 -7.952 1.00 0.00 H new ATOM 0 HB3 LEU B 60 -5.968 2.482 -7.656 1.00 0.00 H new ATOM 0 HG LEU B 60 -5.823 4.257 -5.890 1.00 0.00 H new ATOM 0 HD11 LEU B 60 -3.346 4.410 -5.824 1.00 0.00 H new ATOM 0 HD12 LEU B 60 -3.885 2.776 -6.279 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -3.269 3.889 -7.524 1.00 0.00 H new ATOM 0 HD21 LEU B 60 -4.707 6.407 -6.468 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -4.682 5.927 -8.181 1.00 0.00 H new ATOM 0 HD23 LEU B 60 -6.235 6.210 -7.359 1.00 0.00 H new ATOM 2474 N ASP B 61 -6.711 2.352 -10.733 1.00 0.00 N ATOM 2475 CA ASP B 61 -6.929 1.141 -11.578 1.00 0.00 C ATOM 2476 C ASP B 61 -5.867 1.066 -12.662 1.00 0.00 C ATOM 2477 O ASP B 61 -5.860 1.825 -13.611 1.00 0.00 O ATOM 2478 CB ASP B 61 -8.312 1.198 -12.221 1.00 0.00 C ATOM 2479 CG ASP B 61 -9.378 1.206 -11.127 1.00 0.00 C ATOM 2480 OD1 ASP B 61 -9.030 1.479 -9.990 1.00 0.00 O ATOM 2481 OD2 ASP B 61 -10.525 0.935 -11.443 1.00 0.00 O ATOM 0 H ASP B 61 -7.507 2.986 -10.658 1.00 0.00 H new ATOM 0 HA ASP B 61 -6.861 0.255 -10.947 1.00 0.00 H new ATOM 0 HB2 ASP B 61 -8.402 2.092 -12.839 1.00 0.00 H new ATOM 0 HB3 ASP B 61 -8.456 0.340 -12.878 1.00 0.00 H new ATOM 2486 N GLU B 62 -4.976 0.130 -12.521 1.00 0.00 N ATOM 2487 CA GLU B 62 -3.898 -0.047 -13.531 1.00 0.00 C ATOM 2488 C GLU B 62 -4.407 -1.014 -14.583 1.00 0.00 C ATOM 2489 O GLU B 62 -4.244 -0.810 -15.770 1.00 0.00 O ATOM 2490 CB GLU B 62 -2.645 -0.617 -12.858 1.00 0.00 C ATOM 2491 CG GLU B 62 -1.553 -0.852 -13.907 1.00 0.00 C ATOM 2492 CD GLU B 62 -0.276 -1.329 -13.215 1.00 0.00 C ATOM 2493 OE1 GLU B 62 -0.100 -1.008 -12.051 1.00 0.00 O ATOM 2494 OE2 GLU B 62 0.506 -2.008 -13.861 1.00 0.00 O ATOM 0 H GLU B 62 -4.947 -0.527 -11.742 1.00 0.00 H new ATOM 0 HA GLU B 62 -3.638 0.908 -13.987 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -2.286 0.073 -12.094 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -2.886 -1.553 -12.354 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -1.885 -1.594 -14.633 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -1.359 0.068 -14.458 1.00 0.00 H new ATOM 2501 N ASP B 63 -5.050 -2.055 -14.152 1.00 0.00 N ATOM 2502 CA ASP B 63 -5.607 -3.026 -15.116 1.00 0.00 C ATOM 2503 C ASP B 63 -6.901 -2.440 -15.669 1.00 0.00 C ATOM 2504 O ASP B 63 -7.546 -3.020 -16.519 1.00 0.00 O ATOM 2505 CB ASP B 63 -5.904 -4.345 -14.400 1.00 0.00 C ATOM 2506 CG ASP B 63 -6.709 -4.064 -13.128 1.00 0.00 C ATOM 2507 OD1 ASP B 63 -6.907 -2.899 -12.817 1.00 0.00 O ATOM 2508 OD2 ASP B 63 -7.112 -5.019 -12.483 1.00 0.00 O ATOM 0 H ASP B 63 -5.213 -2.274 -13.169 1.00 0.00 H new ATOM 0 HA ASP B 63 -4.899 -3.217 -15.922 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -6.463 -5.011 -15.058 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -4.973 -4.853 -14.149 1.00 0.00 H new ATOM 2513 N GLY B 64 -7.291 -1.284 -15.185 1.00 0.00 N ATOM 2514 CA GLY B 64 -8.550 -0.671 -15.687 1.00 0.00 C ATOM 2515 C GLY B 64 -9.683 -1.662 -15.454 1.00 0.00 C ATOM 2516 O GLY B 64 -10.492 -1.917 -16.324 1.00 0.00 O ATOM 0 H GLY B 64 -6.795 -0.748 -14.473 1.00 0.00 H new ATOM 0 HA2 GLY B 64 -8.751 0.266 -15.168 1.00 0.00 H new ATOM 0 HA3 GLY B 64 -8.462 -0.435 -16.748 1.00 0.00 H new ATOM 2520 N ASP B 65 -9.738 -2.238 -14.281 1.00 0.00 N ATOM 2521 CA ASP B 65 -10.811 -3.234 -13.988 1.00 0.00 C ATOM 2522 C ASP B 65 -11.983 -2.536 -13.308 1.00 0.00 C ATOM 2523 O ASP B 65 -13.012 -3.133 -13.056 1.00 0.00 O ATOM 2524 CB ASP B 65 -10.258 -4.320 -13.061 1.00 0.00 C ATOM 2525 CG ASP B 65 -9.836 -3.694 -11.732 1.00 0.00 C ATOM 2526 OD1 ASP B 65 -9.832 -2.476 -11.648 1.00 0.00 O ATOM 2527 OD2 ASP B 65 -9.523 -4.441 -10.819 1.00 0.00 O ATOM 0 H ASP B 65 -9.088 -2.062 -13.515 1.00 0.00 H new ATOM 0 HA ASP B 65 -11.150 -3.687 -14.920 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -11.014 -5.086 -12.890 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -9.406 -4.813 -13.529 1.00 0.00 H new ATOM 2532 N GLY B 66 -11.841 -1.278 -13.001 1.00 0.00 N ATOM 2533 CA GLY B 66 -12.959 -0.558 -12.329 1.00 0.00 C ATOM 2534 C GLY B 66 -13.056 -1.055 -10.894 1.00 0.00 C ATOM 2535 O GLY B 66 -13.931 -0.672 -10.143 1.00 0.00 O ATOM 0 H GLY B 66 -11.007 -0.720 -13.184 1.00 0.00 H new ATOM 0 HA2 GLY B 66 -12.783 0.517 -12.347 1.00 0.00 H new ATOM 0 HA3 GLY B 66 -13.896 -0.736 -12.856 1.00 0.00 H new ATOM 2539 N GLU B 67 -12.140 -1.903 -10.514 1.00 0.00 N ATOM 2540 CA GLU B 67 -12.113 -2.450 -9.128 1.00 0.00 C ATOM 2541 C GLU B 67 -10.723 -2.176 -8.565 1.00 0.00 C ATOM 2542 O GLU B 67 -9.865 -1.676 -9.264 1.00 0.00 O ATOM 2543 CB GLU B 67 -12.377 -3.957 -9.165 1.00 0.00 C ATOM 2544 CG GLU B 67 -13.804 -4.207 -9.656 1.00 0.00 C ATOM 2545 CD GLU B 67 -13.992 -5.697 -9.952 1.00 0.00 C ATOM 2546 OE1 GLU B 67 -13.400 -6.500 -9.250 1.00 0.00 O ATOM 2547 OE2 GLU B 67 -14.725 -6.010 -10.876 1.00 0.00 O ATOM 0 H GLU B 67 -11.394 -2.247 -11.119 1.00 0.00 H new ATOM 0 HA GLU B 67 -12.879 -1.985 -8.507 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -11.662 -4.447 -9.825 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -12.241 -4.386 -8.172 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -14.521 -3.883 -8.902 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -13.998 -3.620 -10.554 1.00 0.00 H new ATOM 2554 N CYS B 68 -10.488 -2.479 -7.315 1.00 0.00 N ATOM 2555 CA CYS B 68 -9.141 -2.210 -6.715 1.00 0.00 C ATOM 2556 C CYS B 68 -8.583 -3.475 -6.062 1.00 0.00 C ATOM 2557 O CYS B 68 -8.826 -3.736 -4.901 1.00 0.00 O ATOM 2558 CB CYS B 68 -9.279 -1.118 -5.651 1.00 0.00 C ATOM 2559 SG CYS B 68 -9.725 0.446 -6.447 1.00 0.00 S ATOM 0 H CYS B 68 -11.168 -2.901 -6.682 1.00 0.00 H new ATOM 0 HA CYS B 68 -8.460 -1.890 -7.503 1.00 0.00 H new ATOM 0 HB2 CYS B 68 -10.041 -1.398 -4.923 1.00 0.00 H new ATOM 0 HB3 CYS B 68 -8.342 -1.007 -5.105 1.00 0.00 H new ATOM 0 HG CYS B 68 -8.859 0.723 -7.376 1.00 0.00 H new ATOM 2565 N ASP B 69 -7.846 -4.267 -6.801 1.00 0.00 N ATOM 2566 CA ASP B 69 -7.269 -5.512 -6.215 1.00 0.00 C ATOM 2567 C ASP B 69 -6.496 -5.144 -4.943 1.00 0.00 C ATOM 2568 O ASP B 69 -6.594 -4.040 -4.457 1.00 0.00 O ATOM 2569 CB ASP B 69 -6.329 -6.169 -7.229 1.00 0.00 C ATOM 2570 CG ASP B 69 -6.977 -6.136 -8.614 1.00 0.00 C ATOM 2571 OD1 ASP B 69 -8.052 -6.695 -8.757 1.00 0.00 O ATOM 2572 OD2 ASP B 69 -6.389 -5.552 -9.508 1.00 0.00 O ATOM 0 H ASP B 69 -7.620 -4.104 -7.782 1.00 0.00 H new ATOM 0 HA ASP B 69 -8.065 -6.215 -5.969 1.00 0.00 H new ATOM 0 HB2 ASP B 69 -5.374 -5.645 -7.249 1.00 0.00 H new ATOM 0 HB3 ASP B 69 -6.122 -7.198 -6.936 1.00 0.00 H new ATOM 2577 N PHE B 70 -5.735 -6.047 -4.385 1.00 0.00 N ATOM 2578 CA PHE B 70 -4.995 -5.711 -3.129 1.00 0.00 C ATOM 2579 C PHE B 70 -3.770 -4.817 -3.425 1.00 0.00 C ATOM 2580 O PHE B 70 -3.619 -3.755 -2.854 1.00 0.00 O ATOM 2581 CB PHE B 70 -4.548 -7.016 -2.411 1.00 0.00 C ATOM 2582 CG PHE B 70 -4.863 -8.230 -3.265 1.00 0.00 C ATOM 2583 CD1 PHE B 70 -6.195 -8.548 -3.558 1.00 0.00 C ATOM 2584 CD2 PHE B 70 -3.828 -9.038 -3.756 1.00 0.00 C ATOM 2585 CE1 PHE B 70 -6.491 -9.670 -4.343 1.00 0.00 C ATOM 2586 CE2 PHE B 70 -4.126 -10.159 -4.540 1.00 0.00 C ATOM 2587 CZ PHE B 70 -5.457 -10.475 -4.833 1.00 0.00 C ATOM 0 H PHE B 70 -5.593 -6.993 -4.738 1.00 0.00 H new ATOM 0 HA PHE B 70 -5.667 -5.154 -2.476 1.00 0.00 H new ATOM 0 HB2 PHE B 70 -3.478 -6.977 -2.206 1.00 0.00 H new ATOM 0 HB3 PHE B 70 -5.054 -7.100 -1.449 1.00 0.00 H new ATOM 0 HD1 PHE B 70 -6.994 -7.928 -3.179 1.00 0.00 H new ATOM 0 HD2 PHE B 70 -2.800 -8.796 -3.529 1.00 0.00 H new ATOM 0 HE1 PHE B 70 -7.518 -9.914 -4.570 1.00 0.00 H new ATOM 0 HE2 PHE B 70 -3.328 -10.780 -4.919 1.00 0.00 H new ATOM 0 HZ PHE B 70 -5.686 -11.340 -5.437 1.00 0.00 H new ATOM 2597 N GLN B 71 -2.884 -5.249 -4.286 1.00 0.00 N ATOM 2598 CA GLN B 71 -1.665 -4.441 -4.585 1.00 0.00 C ATOM 2599 C GLN B 71 -2.055 -3.029 -5.008 1.00 0.00 C ATOM 2600 O GLN B 71 -1.333 -2.076 -4.777 1.00 0.00 O ATOM 2601 CB GLN B 71 -0.853 -5.116 -5.702 1.00 0.00 C ATOM 2602 CG GLN B 71 -1.713 -5.281 -6.966 1.00 0.00 C ATOM 2603 CD GLN B 71 -1.719 -3.977 -7.772 1.00 0.00 C ATOM 2604 OE1 GLN B 71 -1.046 -3.028 -7.423 1.00 0.00 O ATOM 2605 NE2 GLN B 71 -2.453 -3.894 -8.849 1.00 0.00 N ATOM 0 H GLN B 71 -2.953 -6.130 -4.796 1.00 0.00 H new ATOM 0 HA GLN B 71 -1.055 -4.380 -3.684 1.00 0.00 H new ATOM 0 HB2 GLN B 71 0.030 -4.518 -5.930 1.00 0.00 H new ATOM 0 HB3 GLN B 71 -0.500 -6.091 -5.365 1.00 0.00 H new ATOM 0 HG2 GLN B 71 -1.322 -6.094 -7.578 1.00 0.00 H new ATOM 0 HG3 GLN B 71 -2.732 -5.552 -6.689 1.00 0.00 H new ATOM 0 HE21 GLN B 71 -3.019 -4.690 -9.143 1.00 0.00 H new ATOM 0 HE22 GLN B 71 -2.461 -3.033 -9.396 1.00 0.00 H new ATOM 2614 N GLU B 72 -3.199 -2.873 -5.604 1.00 0.00 N ATOM 2615 CA GLU B 72 -3.644 -1.519 -6.030 1.00 0.00 C ATOM 2616 C GLU B 72 -4.408 -0.870 -4.878 1.00 0.00 C ATOM 2617 O GLU B 72 -4.245 0.299 -4.590 1.00 0.00 O ATOM 2618 CB GLU B 72 -4.548 -1.689 -7.258 1.00 0.00 C ATOM 2619 CG GLU B 72 -5.040 -0.327 -7.788 1.00 0.00 C ATOM 2620 CD GLU B 72 -6.349 -0.521 -8.558 1.00 0.00 C ATOM 2621 OE1 GLU B 72 -6.514 -1.577 -9.147 1.00 0.00 O ATOM 2622 OE2 GLU B 72 -7.164 0.386 -8.546 1.00 0.00 O ATOM 0 H GLU B 72 -3.850 -3.629 -5.816 1.00 0.00 H new ATOM 0 HA GLU B 72 -2.798 -0.881 -6.287 1.00 0.00 H new ATOM 0 HB2 GLU B 72 -4.002 -2.211 -8.044 1.00 0.00 H new ATOM 0 HB3 GLU B 72 -5.405 -2.311 -6.998 1.00 0.00 H new ATOM 0 HG2 GLU B 72 -5.192 0.364 -6.959 1.00 0.00 H new ATOM 0 HG3 GLU B 72 -4.286 0.116 -8.438 1.00 0.00 H new ATOM 2629 N PHE B 73 -5.246 -1.613 -4.221 1.00 0.00 N ATOM 2630 CA PHE B 73 -6.020 -1.029 -3.093 1.00 0.00 C ATOM 2631 C PHE B 73 -5.055 -0.506 -2.039 1.00 0.00 C ATOM 2632 O PHE B 73 -5.265 0.535 -1.456 1.00 0.00 O ATOM 2633 CB PHE B 73 -6.935 -2.103 -2.499 1.00 0.00 C ATOM 2634 CG PHE B 73 -7.457 -1.710 -1.129 1.00 0.00 C ATOM 2635 CD1 PHE B 73 -7.762 -0.376 -0.818 1.00 0.00 C ATOM 2636 CD2 PHE B 73 -7.653 -2.709 -0.170 1.00 0.00 C ATOM 2637 CE1 PHE B 73 -8.264 -0.053 0.449 1.00 0.00 C ATOM 2638 CE2 PHE B 73 -8.150 -2.383 1.090 1.00 0.00 C ATOM 2639 CZ PHE B 73 -8.457 -1.060 1.401 1.00 0.00 C ATOM 0 H PHE B 73 -5.430 -2.598 -4.414 1.00 0.00 H new ATOM 0 HA PHE B 73 -6.634 -0.201 -3.448 1.00 0.00 H new ATOM 0 HB2 PHE B 73 -7.775 -2.276 -3.171 1.00 0.00 H new ATOM 0 HB3 PHE B 73 -6.389 -3.043 -2.423 1.00 0.00 H new ATOM 0 HD1 PHE B 73 -7.610 0.400 -1.554 1.00 0.00 H new ATOM 0 HD2 PHE B 73 -7.418 -3.736 -0.407 1.00 0.00 H new ATOM 0 HE1 PHE B 73 -8.502 0.972 0.691 1.00 0.00 H new ATOM 0 HE2 PHE B 73 -8.298 -3.158 1.828 1.00 0.00 H new ATOM 0 HZ PHE B 73 -8.844 -0.812 2.378 1.00 0.00 H new ATOM 2649 N MET B 74 -3.976 -1.184 -1.801 1.00 0.00 N ATOM 2650 CA MET B 74 -3.022 -0.647 -0.807 1.00 0.00 C ATOM 2651 C MET B 74 -2.555 0.692 -1.359 1.00 0.00 C ATOM 2652 O MET B 74 -2.510 1.694 -0.673 1.00 0.00 O ATOM 2653 CB MET B 74 -1.833 -1.607 -0.644 1.00 0.00 C ATOM 2654 CG MET B 74 -1.076 -1.333 0.682 1.00 0.00 C ATOM 2655 SD MET B 74 -1.362 -2.683 1.861 1.00 0.00 S ATOM 2656 CE MET B 74 0.171 -2.486 2.811 1.00 0.00 C ATOM 0 H MET B 74 -3.717 -2.067 -2.241 1.00 0.00 H new ATOM 0 HA MET B 74 -3.482 -0.533 0.175 1.00 0.00 H new ATOM 0 HB2 MET B 74 -2.188 -2.637 -0.658 1.00 0.00 H new ATOM 0 HB3 MET B 74 -1.151 -1.493 -1.487 1.00 0.00 H new ATOM 0 HG2 MET B 74 -0.009 -1.233 0.485 1.00 0.00 H new ATOM 0 HG3 MET B 74 -1.411 -0.389 1.112 1.00 0.00 H new ATOM 0 HE1 MET B 74 0.205 -3.231 3.606 1.00 0.00 H new ATOM 0 HE2 MET B 74 1.028 -2.620 2.151 1.00 0.00 H new ATOM 0 HE3 MET B 74 0.203 -1.488 3.248 1.00 0.00 H new ATOM 2666 N ALA B 75 -2.202 0.692 -2.612 1.00 0.00 N ATOM 2667 CA ALA B 75 -1.723 1.955 -3.244 1.00 0.00 C ATOM 2668 C ALA B 75 -2.740 3.074 -2.991 1.00 0.00 C ATOM 2669 O ALA B 75 -2.423 4.241 -3.104 1.00 0.00 O ATOM 2670 CB ALA B 75 -1.544 1.744 -4.748 1.00 0.00 C ATOM 0 H ALA B 75 -2.223 -0.123 -3.225 1.00 0.00 H new ATOM 0 HA ALA B 75 -0.765 2.237 -2.808 1.00 0.00 H new ATOM 0 HB1 ALA B 75 -1.194 2.669 -5.206 1.00 0.00 H new ATOM 0 HB2 ALA B 75 -0.813 0.954 -4.920 1.00 0.00 H new ATOM 0 HB3 ALA B 75 -2.498 1.458 -5.191 1.00 0.00 H new ATOM 2676 N PHE B 76 -3.956 2.740 -2.644 1.00 0.00 N ATOM 2677 CA PHE B 76 -4.957 3.822 -2.388 1.00 0.00 C ATOM 2678 C PHE B 76 -4.655 4.473 -1.040 1.00 0.00 C ATOM 2679 O PHE B 76 -4.448 5.667 -0.964 1.00 0.00 O ATOM 2680 CB PHE B 76 -6.390 3.267 -2.403 1.00 0.00 C ATOM 2681 CG PHE B 76 -7.372 4.324 -1.917 1.00 0.00 C ATOM 2682 CD1 PHE B 76 -7.404 5.595 -2.512 1.00 0.00 C ATOM 2683 CD2 PHE B 76 -8.254 4.026 -0.867 1.00 0.00 C ATOM 2684 CE1 PHE B 76 -8.312 6.559 -2.055 1.00 0.00 C ATOM 2685 CE2 PHE B 76 -9.159 4.992 -0.415 1.00 0.00 C ATOM 2686 CZ PHE B 76 -9.187 6.258 -1.007 1.00 0.00 C ATOM 0 H PHE B 76 -4.296 1.785 -2.528 1.00 0.00 H new ATOM 0 HA PHE B 76 -4.883 4.566 -3.181 1.00 0.00 H new ATOM 0 HB2 PHE B 76 -6.655 2.952 -3.412 1.00 0.00 H new ATOM 0 HB3 PHE B 76 -6.452 2.384 -1.767 1.00 0.00 H new ATOM 0 HD1 PHE B 76 -6.729 5.830 -3.322 1.00 0.00 H new ATOM 0 HD2 PHE B 76 -8.234 3.049 -0.407 1.00 0.00 H new ATOM 0 HE1 PHE B 76 -8.336 7.537 -2.513 1.00 0.00 H new ATOM 0 HE2 PHE B 76 -9.837 4.759 0.393 1.00 0.00 H new ATOM 0 HZ PHE B 76 -9.885 7.004 -0.655 1.00 0.00 H new ATOM 2696 N VAL B 77 -4.591 3.712 0.020 1.00 0.00 N ATOM 2697 CA VAL B 77 -4.267 4.332 1.340 1.00 0.00 C ATOM 2698 C VAL B 77 -2.954 5.102 1.190 1.00 0.00 C ATOM 2699 O VAL B 77 -2.716 6.098 1.834 1.00 0.00 O ATOM 2700 CB VAL B 77 -4.102 3.244 2.408 1.00 0.00 C ATOM 2701 CG1 VAL B 77 -3.526 3.864 3.684 1.00 0.00 C ATOM 2702 CG2 VAL B 77 -5.463 2.625 2.725 1.00 0.00 C ATOM 0 H VAL B 77 -4.746 2.704 0.032 1.00 0.00 H new ATOM 0 HA VAL B 77 -5.072 5.000 1.647 1.00 0.00 H new ATOM 0 HB VAL B 77 -3.427 2.474 2.034 1.00 0.00 H new ATOM 0 HG11 VAL B 77 -3.409 3.091 4.443 1.00 0.00 H new ATOM 0 HG12 VAL B 77 -2.555 4.309 3.466 1.00 0.00 H new ATOM 0 HG13 VAL B 77 -4.204 4.634 4.052 1.00 0.00 H new ATOM 0 HG21 VAL B 77 -5.343 1.852 3.484 1.00 0.00 H new ATOM 0 HG22 VAL B 77 -6.136 3.397 3.097 1.00 0.00 H new ATOM 0 HG23 VAL B 77 -5.881 2.183 1.821 1.00 0.00 H new ATOM 2712 N SER B 78 -2.103 4.636 0.336 1.00 0.00 N ATOM 2713 CA SER B 78 -0.805 5.315 0.119 1.00 0.00 C ATOM 2714 C SER B 78 -1.051 6.673 -0.529 1.00 0.00 C ATOM 2715 O SER B 78 -0.360 7.634 -0.265 1.00 0.00 O ATOM 2716 CB SER B 78 0.039 4.457 -0.808 1.00 0.00 C ATOM 2717 OG SER B 78 1.381 4.928 -0.800 1.00 0.00 O ATOM 0 H SER B 78 -2.251 3.801 -0.231 1.00 0.00 H new ATOM 0 HA SER B 78 -0.289 5.457 1.069 1.00 0.00 H new ATOM 0 HB2 SER B 78 0.006 3.416 -0.487 1.00 0.00 H new ATOM 0 HB3 SER B 78 -0.364 4.492 -1.820 1.00 0.00 H new ATOM 0 HG SER B 78 1.539 5.479 -1.595 1.00 0.00 H new ATOM 2723 N MET B 79 -2.037 6.758 -1.373 1.00 0.00 N ATOM 2724 CA MET B 79 -2.333 8.055 -2.038 1.00 0.00 C ATOM 2725 C MET B 79 -3.009 8.997 -1.044 1.00 0.00 C ATOM 2726 O MET B 79 -2.856 10.199 -1.115 1.00 0.00 O ATOM 2727 CB MET B 79 -3.248 7.825 -3.250 1.00 0.00 C ATOM 2728 CG MET B 79 -3.446 9.141 -4.032 1.00 0.00 C ATOM 2729 SD MET B 79 -3.608 8.774 -5.803 1.00 0.00 S ATOM 2730 CE MET B 79 -5.396 9.012 -5.955 1.00 0.00 C ATOM 0 H MET B 79 -2.651 5.986 -1.632 1.00 0.00 H new ATOM 0 HA MET B 79 -1.401 8.505 -2.381 1.00 0.00 H new ATOM 0 HB2 MET B 79 -2.814 7.068 -3.903 1.00 0.00 H new ATOM 0 HB3 MET B 79 -4.213 7.443 -2.918 1.00 0.00 H new ATOM 0 HG2 MET B 79 -4.336 9.659 -3.674 1.00 0.00 H new ATOM 0 HG3 MET B 79 -2.600 9.807 -3.864 1.00 0.00 H new ATOM 0 HE1 MET B 79 -5.733 8.629 -6.918 1.00 0.00 H new ATOM 0 HE2 MET B 79 -5.904 8.476 -5.153 1.00 0.00 H new ATOM 0 HE3 MET B 79 -5.629 10.075 -5.885 1.00 0.00 H new ATOM 2740 N VAL B 80 -3.730 8.464 -0.090 1.00 0.00 N ATOM 2741 CA VAL B 80 -4.374 9.339 0.927 1.00 0.00 C ATOM 2742 C VAL B 80 -3.350 9.548 2.027 1.00 0.00 C ATOM 2743 O VAL B 80 -3.289 10.588 2.652 1.00 0.00 O ATOM 2744 CB VAL B 80 -5.680 8.701 1.482 1.00 0.00 C ATOM 2745 CG1 VAL B 80 -6.330 7.819 0.408 1.00 0.00 C ATOM 2746 CG2 VAL B 80 -5.406 7.853 2.738 1.00 0.00 C ATOM 0 H VAL B 80 -3.898 7.465 0.026 1.00 0.00 H new ATOM 0 HA VAL B 80 -4.671 10.291 0.486 1.00 0.00 H new ATOM 0 HB VAL B 80 -6.354 9.513 1.756 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -7.244 7.376 0.805 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -6.570 8.426 -0.465 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -5.638 7.027 0.120 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -6.341 7.423 3.098 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -4.709 7.052 2.491 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -4.974 8.483 3.515 1.00 0.00 H new ATOM 2756 N THR B 81 -2.519 8.565 2.253 1.00 0.00 N ATOM 2757 CA THR B 81 -1.483 8.723 3.296 1.00 0.00 C ATOM 2758 C THR B 81 -0.419 9.665 2.759 1.00 0.00 C ATOM 2759 O THR B 81 0.158 10.441 3.493 1.00 0.00 O ATOM 2760 CB THR B 81 -0.841 7.372 3.629 1.00 0.00 C ATOM 2761 OG1 THR B 81 -1.850 6.440 3.984 1.00 0.00 O ATOM 2762 CG2 THR B 81 0.131 7.546 4.797 1.00 0.00 C ATOM 0 H THR B 81 -2.518 7.671 1.762 1.00 0.00 H new ATOM 0 HA THR B 81 -1.935 9.121 4.205 1.00 0.00 H new ATOM 0 HB THR B 81 -0.300 7.002 2.758 1.00 0.00 H new ATOM 0 HG1 THR B 81 -2.491 6.867 4.590 1.00 0.00 H new ATOM 0 HG21 THR B 81 0.589 6.586 5.035 1.00 0.00 H new ATOM 0 HG22 THR B 81 0.907 8.260 4.521 1.00 0.00 H new ATOM 0 HG23 THR B 81 -0.409 7.917 5.668 1.00 0.00 H new ATOM 2770 N THR B 82 -0.137 9.602 1.481 1.00 0.00 N ATOM 2771 CA THR B 82 0.912 10.500 0.925 1.00 0.00 C ATOM 2772 C THR B 82 0.436 11.949 0.958 1.00 0.00 C ATOM 2773 O THR B 82 1.207 12.852 1.215 1.00 0.00 O ATOM 2774 CB THR B 82 1.211 10.103 -0.521 1.00 0.00 C ATOM 2775 OG1 THR B 82 -0.012 9.965 -1.225 1.00 0.00 O ATOM 2776 CG2 THR B 82 1.981 8.771 -0.564 1.00 0.00 C ATOM 0 H THR B 82 -0.582 8.976 0.810 1.00 0.00 H new ATOM 0 HA THR B 82 1.814 10.405 1.530 1.00 0.00 H new ATOM 0 HB THR B 82 1.824 10.876 -0.984 1.00 0.00 H new ATOM 0 HG1 THR B 82 -0.420 9.101 -1.006 1.00 0.00 H new ATOM 0 HG21 THR B 82 2.186 8.503 -1.600 1.00 0.00 H new ATOM 0 HG22 THR B 82 2.922 8.877 -0.024 1.00 0.00 H new ATOM 0 HG23 THR B 82 1.381 7.989 -0.098 1.00 0.00 H new ATOM 2784 N ALA B 83 -0.824 12.199 0.708 1.00 0.00 N ATOM 2785 CA ALA B 83 -1.308 13.602 0.744 1.00 0.00 C ATOM 2786 C ALA B 83 -1.152 14.130 2.164 1.00 0.00 C ATOM 2787 O ALA B 83 -0.606 15.192 2.388 1.00 0.00 O ATOM 2788 CB ALA B 83 -2.782 13.646 0.336 1.00 0.00 C ATOM 0 H ALA B 83 -1.529 11.497 0.483 1.00 0.00 H new ATOM 0 HA ALA B 83 -0.731 14.216 0.052 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -3.136 14.676 0.363 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -2.892 13.251 -0.674 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -3.369 13.042 1.028 1.00 0.00 H new ATOM 2794 N CYS B 84 -1.612 13.384 3.131 1.00 0.00 N ATOM 2795 CA CYS B 84 -1.467 13.839 4.539 1.00 0.00 C ATOM 2796 C CYS B 84 0.017 14.048 4.827 1.00 0.00 C ATOM 2797 O CYS B 84 0.394 14.782 5.718 1.00 0.00 O ATOM 2798 CB CYS B 84 -2.037 12.778 5.485 1.00 0.00 C ATOM 2799 SG CYS B 84 -2.274 13.497 7.129 1.00 0.00 S ATOM 0 H CYS B 84 -2.079 12.486 3.007 1.00 0.00 H new ATOM 0 HA CYS B 84 -2.011 14.771 4.691 1.00 0.00 H new ATOM 0 HB2 CYS B 84 -2.986 12.405 5.100 1.00 0.00 H new ATOM 0 HB3 CYS B 84 -1.359 11.926 5.543 1.00 0.00 H new ATOM 0 HG CYS B 84 -2.760 12.596 7.931 1.00 0.00 H new ATOM 2805 N HIS B 85 0.865 13.411 4.060 1.00 0.00 N ATOM 2806 CA HIS B 85 2.333 13.572 4.265 1.00 0.00 C ATOM 2807 C HIS B 85 2.842 14.695 3.362 1.00 0.00 C ATOM 2808 O HIS B 85 3.729 15.440 3.724 1.00 0.00 O ATOM 2809 CB HIS B 85 3.050 12.271 3.900 1.00 0.00 C ATOM 2810 CG HIS B 85 4.531 12.465 4.075 1.00 0.00 C ATOM 2811 ND1 HIS B 85 5.057 13.203 5.123 1.00 0.00 N ATOM 2812 CD2 HIS B 85 5.610 12.033 3.342 1.00 0.00 C ATOM 2813 CE1 HIS B 85 6.396 13.197 4.992 1.00 0.00 C ATOM 2814 NE2 HIS B 85 6.788 12.497 3.923 1.00 0.00 N ATOM 0 H HIS B 85 0.601 12.785 3.299 1.00 0.00 H new ATOM 0 HA HIS B 85 2.530 13.814 5.309 1.00 0.00 H new ATOM 0 HB2 HIS B 85 2.699 11.457 4.534 1.00 0.00 H new ATOM 0 HB3 HIS B 85 2.825 11.993 2.870 1.00 0.00 H new ATOM 0 HD1 HIS B 85 4.526 13.667 5.860 1.00 0.00 H new ATOM 0 HD2 HIS B 85 5.553 11.426 2.451 1.00 0.00 H new ATOM 0 HE1 HIS B 85 7.073 13.697 5.669 1.00 0.00 H new ATOM 2822 N GLU B 86 2.286 14.822 2.186 1.00 0.00 N ATOM 2823 CA GLU B 86 2.738 15.898 1.259 1.00 0.00 C ATOM 2824 C GLU B 86 2.387 17.259 1.852 1.00 0.00 C ATOM 2825 O GLU B 86 3.220 18.139 1.949 1.00 0.00 O ATOM 2826 CB GLU B 86 2.039 15.732 -0.094 1.00 0.00 C ATOM 2827 CG GLU B 86 2.617 16.730 -1.103 1.00 0.00 C ATOM 2828 CD GLU B 86 4.074 16.371 -1.407 1.00 0.00 C ATOM 2829 OE1 GLU B 86 4.288 15.479 -2.211 1.00 0.00 O ATOM 2830 OE2 GLU B 86 4.948 16.995 -0.830 1.00 0.00 O ATOM 0 H GLU B 86 1.539 14.227 1.828 1.00 0.00 H new ATOM 0 HA GLU B 86 3.817 15.831 1.120 1.00 0.00 H new ATOM 0 HB2 GLU B 86 2.171 14.714 -0.459 1.00 0.00 H new ATOM 0 HB3 GLU B 86 0.967 15.894 0.018 1.00 0.00 H new ATOM 0 HG2 GLU B 86 2.030 16.715 -2.021 1.00 0.00 H new ATOM 0 HG3 GLU B 86 2.558 17.742 -0.703 1.00 0.00 H new ATOM 2837 N PHE B 87 1.163 17.438 2.257 1.00 0.00 N ATOM 2838 CA PHE B 87 0.764 18.742 2.851 1.00 0.00 C ATOM 2839 C PHE B 87 1.591 18.983 4.113 1.00 0.00 C ATOM 2840 O PHE B 87 1.946 20.100 4.432 1.00 0.00 O ATOM 2841 CB PHE B 87 -0.724 18.714 3.209 1.00 0.00 C ATOM 2842 CG PHE B 87 -1.549 18.822 1.944 1.00 0.00 C ATOM 2843 CD1 PHE B 87 -1.549 20.014 1.209 1.00 0.00 C ATOM 2844 CD2 PHE B 87 -2.310 17.731 1.504 1.00 0.00 C ATOM 2845 CE1 PHE B 87 -2.308 20.116 0.037 1.00 0.00 C ATOM 2846 CE2 PHE B 87 -3.069 17.833 0.332 1.00 0.00 C ATOM 2847 CZ PHE B 87 -3.068 19.025 -0.402 1.00 0.00 C ATOM 0 H PHE B 87 0.422 16.739 2.203 1.00 0.00 H new ATOM 0 HA PHE B 87 0.941 19.543 2.133 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -0.965 17.791 3.736 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -0.963 19.537 3.883 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -0.963 20.856 1.547 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -2.311 16.811 2.069 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -2.307 21.036 -0.528 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -3.656 16.992 -0.006 1.00 0.00 H new ATOM 0 HZ PHE B 87 -3.653 19.103 -1.306 1.00 0.00 H new ATOM 2857 N PHE B 88 1.903 17.939 4.832 1.00 0.00 N ATOM 2858 CA PHE B 88 2.711 18.103 6.073 1.00 0.00 C ATOM 2859 C PHE B 88 4.146 18.503 5.704 1.00 0.00 C ATOM 2860 O PHE B 88 4.620 19.554 6.082 1.00 0.00 O ATOM 2861 CB PHE B 88 2.716 16.779 6.856 1.00 0.00 C ATOM 2862 CG PHE B 88 3.766 16.816 7.952 1.00 0.00 C ATOM 2863 CD1 PHE B 88 3.757 17.846 8.903 1.00 0.00 C ATOM 2864 CD2 PHE B 88 4.749 15.817 8.016 1.00 0.00 C ATOM 2865 CE1 PHE B 88 4.728 17.876 9.913 1.00 0.00 C ATOM 2866 CE2 PHE B 88 5.717 15.849 9.025 1.00 0.00 C ATOM 2867 CZ PHE B 88 5.707 16.878 9.973 1.00 0.00 C ATOM 0 H PHE B 88 1.633 16.980 4.613 1.00 0.00 H new ATOM 0 HA PHE B 88 2.275 18.885 6.694 1.00 0.00 H new ATOM 0 HB2 PHE B 88 1.732 16.603 7.292 1.00 0.00 H new ATOM 0 HB3 PHE B 88 2.917 15.949 6.178 1.00 0.00 H new ATOM 0 HD1 PHE B 88 3.002 18.617 8.857 1.00 0.00 H new ATOM 0 HD2 PHE B 88 4.758 15.022 7.285 1.00 0.00 H new ATOM 0 HE1 PHE B 88 4.721 18.670 10.645 1.00 0.00 H new ATOM 0 HE2 PHE B 88 6.473 15.079 9.072 1.00 0.00 H new ATOM 0 HZ PHE B 88 6.455 16.902 10.751 1.00 0.00 H new ATOM 2877 N GLU B 89 4.844 17.672 4.975 1.00 0.00 N ATOM 2878 CA GLU B 89 6.246 18.019 4.598 1.00 0.00 C ATOM 2879 C GLU B 89 6.239 19.066 3.483 1.00 0.00 C ATOM 2880 O GLU B 89 7.197 19.210 2.749 1.00 0.00 O ATOM 2881 CB GLU B 89 6.988 16.752 4.140 1.00 0.00 C ATOM 2882 CG GLU B 89 6.544 16.350 2.724 1.00 0.00 C ATOM 2883 CD GLU B 89 6.856 14.867 2.484 1.00 0.00 C ATOM 2884 OE1 GLU B 89 7.899 14.419 2.934 1.00 0.00 O ATOM 2885 OE2 GLU B 89 6.046 14.206 1.857 1.00 0.00 O ATOM 0 H GLU B 89 4.507 16.775 4.627 1.00 0.00 H new ATOM 0 HA GLU B 89 6.762 18.435 5.464 1.00 0.00 H new ATOM 0 HB2 GLU B 89 8.064 16.928 4.154 1.00 0.00 H new ATOM 0 HB3 GLU B 89 6.790 15.936 4.835 1.00 0.00 H new ATOM 0 HG2 GLU B 89 5.476 16.531 2.603 1.00 0.00 H new ATOM 0 HG3 GLU B 89 7.057 16.964 1.984 1.00 0.00 H new ATOM 2892 N HIS B 90 5.173 19.805 3.357 1.00 0.00 N ATOM 2893 CA HIS B 90 5.120 20.847 2.297 1.00 0.00 C ATOM 2894 C HIS B 90 6.119 21.952 2.639 1.00 0.00 C ATOM 2895 O HIS B 90 5.864 22.797 3.475 1.00 0.00 O ATOM 2896 CB HIS B 90 3.707 21.432 2.226 1.00 0.00 C ATOM 2897 CG HIS B 90 3.627 22.447 1.117 1.00 0.00 C ATOM 2898 ND1 HIS B 90 2.641 23.423 1.083 1.00 0.00 N ATOM 2899 CD2 HIS B 90 4.392 22.649 -0.008 1.00 0.00 C ATOM 2900 CE1 HIS B 90 2.836 24.161 -0.025 1.00 0.00 C ATOM 2901 NE2 HIS B 90 3.889 23.731 -0.721 1.00 0.00 N ATOM 0 H HIS B 90 4.339 19.733 3.940 1.00 0.00 H new ATOM 0 HA HIS B 90 5.373 20.408 1.332 1.00 0.00 H new ATOM 0 HB2 HIS B 90 2.983 20.636 2.055 1.00 0.00 H new ATOM 0 HB3 HIS B 90 3.449 21.898 3.177 1.00 0.00 H new ATOM 0 HD2 HIS B 90 5.250 22.059 -0.293 1.00 0.00 H new ATOM 0 HE1 HIS B 90 2.217 24.997 -0.315 1.00 0.00 H new ATOM 0 HE2 HIS B 90 4.250 24.116 -1.594 1.00 0.00 H new ATOM 2910 N GLU B 91 7.255 21.951 1.998 1.00 0.00 N ATOM 2911 CA GLU B 91 8.278 23.000 2.282 1.00 0.00 C ATOM 2912 C GLU B 91 7.960 24.257 1.470 1.00 0.00 C ATOM 2913 O GLU B 91 8.181 25.342 1.983 1.00 0.00 O ATOM 2914 CB GLU B 91 9.661 22.476 1.893 1.00 0.00 C ATOM 2915 CG GLU B 91 10.083 21.378 2.871 1.00 0.00 C ATOM 2916 CD GLU B 91 11.305 20.644 2.319 1.00 0.00 C ATOM 2917 OE1 GLU B 91 11.243 20.202 1.184 1.00 0.00 O ATOM 2918 OE2 GLU B 91 12.282 20.534 3.042 1.00 0.00 O ATOM 2919 OXT GLU B 91 7.501 24.113 0.348 1.00 0.00 O ATOM 0 H GLU B 91 7.521 21.268 1.288 1.00 0.00 H new ATOM 0 HA GLU B 91 8.266 23.244 3.344 1.00 0.00 H new ATOM 0 HB2 GLU B 91 9.641 22.084 0.876 1.00 0.00 H new ATOM 0 HB3 GLU B 91 10.387 23.289 1.907 1.00 0.00 H new ATOM 0 HG2 GLU B 91 10.315 21.812 3.843 1.00 0.00 H new ATOM 0 HG3 GLU B 91 9.262 20.677 3.023 1.00 0.00 H new TER 2926 GLU B 91 HETATM 2927 CA CA A 92 14.938 7.865 -0.971 1.00 0.00 CA HETATM 2928 CA CA A 93 8.016 1.522 -10.652 1.00 0.00 CA HETATM 2929 ZN ZN A 94 8.680 12.505 3.164 1.00 0.00 ZN HETATM 2930 CA CA B 92 -15.172 -8.079 -1.307 1.00 0.00 CA HETATM 2931 CA CA B 93 -7.951 -1.215 -10.731 1.00 0.00 CA HETATM 2932 ZN ZN B 94 -8.656 -12.521 2.771 1.00 0.00 ZN