USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 931 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 HIS : no HE2:sc= -1.09 K(o=-0.7,f=-2.9!) USER MOD Set 1.2: A 94 SER OG : rot 160:sc= 0.392 USER MOD Set 2.1: A 89 HIS : no HD1:sc= 1.05 K(o=2.3,f=-5.1!) USER MOD Set 2.2: A 119 THR OG1 : rot 84:sc= 1.3 USER MOD Set 3.1: A 80 SER OG : rot 122:sc= 0.517 USER MOD Set 3.2: A 91 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 64 MET CE :methyl -172:sc= -0.232 (180deg=-0.347) USER MOD Set 4.2: A 67 GLN : amide:sc= 1.06 K(o=0.83,f=-0.59) USER MOD Set 5.1: A 28 HIS : no HD1:sc= 1.04 K(o=2.4,f=-5.5!) USER MOD Set 5.2: A 40 SER OG : rot -133:sc= 1.35 USER MOD Set 6.1: A 22 TYR OH : rot -127:sc= 0.982 USER MOD Set 6.2: A 102 HIS : no HE2:sc= -0.697 X(o=1.2,f=0.96) USER MOD Set 6.3: A 105 SER OG : rot -79:sc= 0.88 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 129:sc= 0.0493 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -159:sc= 1.19 (180deg=0.845) USER MOD Single : A 29 SER OG : rot 77:sc= 0.673 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 179:sc= 1.79 (180deg=1.79) USER MOD Single : A 47 TYR OH : rot 172:sc= 1.22 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -5:sc= 0.126 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 83:sc= 0.907 USER MOD Single : A 65 GLN : amide:sc= 0.497 X(o=0.5,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 143:sc= 1.23 (180deg=0.557) USER MOD Single : A 69 CYS SG : rot 170:sc= -0.0164 USER MOD Single : A 71 CYS SG : rot 90:sc= -2.14 USER MOD Single : A 73 CYS SG : rot 155:sc= 1.73 USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0.00366 USER MOD Single : A 84 GLN : amide:sc= -1.61 X(o=-1.6,f=-1.5) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -175:sc= 1.28 (180deg=1.18) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 80:sc= -0.0102 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot 24:sc= 0.533 USER MOD Single : A 108 LYS NZ :NH3+ 155:sc= 1.18 (180deg=0.367) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc= -0.136 K(o=-0.14,f=-0.8) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.106 12.489 17.176 1.00 0.00 N ATOM 2 CA MET A 1 12.099 11.803 15.860 1.00 0.00 C ATOM 3 C MET A 1 10.834 12.183 15.079 1.00 0.00 C ATOM 4 O MET A 1 9.787 12.457 15.675 1.00 0.00 O ATOM 5 CB MET A 1 12.240 10.272 16.030 1.00 0.00 C ATOM 6 CG MET A 1 12.354 9.491 14.709 1.00 0.00 C ATOM 7 SD MET A 1 13.664 10.023 13.563 1.00 0.00 S ATOM 8 CE MET A 1 15.141 9.416 14.426 1.00 0.00 C ATOM 0 H1 MET A 1 12.279 11.793 17.929 1.00 0.00 H new ATOM 0 H2 MET A 1 12.858 13.207 17.189 1.00 0.00 H new ATOM 0 H3 MET A 1 11.186 12.948 17.333 1.00 0.00 H new ATOM 0 HA MET A 1 12.962 12.134 15.282 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.122 10.066 16.636 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.378 9.900 16.584 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.515 8.440 14.947 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.398 9.558 14.189 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.030 9.666 13.846 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.206 9.883 15.409 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.076 8.334 14.542 1.00 0.00 H new ATOM 20 N ALA A 2 10.913 12.186 13.743 1.00 0.00 N ATOM 21 CA ALA A 2 9.789 12.414 12.842 1.00 0.00 C ATOM 22 C ALA A 2 9.921 11.453 11.660 1.00 0.00 C ATOM 23 O ALA A 2 11.035 11.139 11.232 1.00 0.00 O ATOM 24 CB ALA A 2 9.799 13.870 12.358 1.00 0.00 C ATOM 0 H ALA A 2 11.791 12.024 13.249 1.00 0.00 H new ATOM 0 HA ALA A 2 8.845 12.235 13.357 1.00 0.00 H new ATOM 0 HB1 ALA A 2 8.958 14.036 11.685 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.716 14.539 13.215 1.00 0.00 H new ATOM 0 HB3 ALA A 2 10.731 14.071 11.830 1.00 0.00 H new ATOM 30 N VAL A 3 8.790 10.992 11.131 1.00 0.00 N ATOM 31 CA VAL A 3 8.743 10.154 9.938 1.00 0.00 C ATOM 32 C VAL A 3 8.887 11.024 8.691 1.00 0.00 C ATOM 33 O VAL A 3 8.284 12.099 8.605 1.00 0.00 O ATOM 34 CB VAL A 3 7.430 9.331 9.876 1.00 0.00 C ATOM 35 CG1 VAL A 3 7.652 7.945 10.484 1.00 0.00 C ATOM 36 CG2 VAL A 3 6.214 9.988 10.556 1.00 0.00 C ATOM 0 H VAL A 3 7.870 11.193 11.524 1.00 0.00 H new ATOM 0 HA VAL A 3 9.572 9.448 9.982 1.00 0.00 H new ATOM 0 HB VAL A 3 7.186 9.269 8.815 1.00 0.00 H new ATOM 0 HG11 VAL A 3 6.725 7.374 10.436 1.00 0.00 H new ATOM 0 HG12 VAL A 3 8.429 7.423 9.925 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.961 8.049 11.524 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.346 9.336 10.459 1.00 0.00 H new ATOM 0 HG22 VAL A 3 6.431 10.149 11.612 1.00 0.00 H new ATOM 0 HG23 VAL A 3 6.004 10.945 10.079 1.00 0.00 H new ATOM 46 N ALA A 4 9.694 10.560 7.729 1.00 0.00 N ATOM 47 CA ALA A 4 9.723 11.157 6.401 1.00 0.00 C ATOM 48 C ALA A 4 8.432 10.724 5.682 1.00 0.00 C ATOM 49 O ALA A 4 7.646 9.928 6.205 1.00 0.00 O ATOM 50 CB ALA A 4 10.987 10.733 5.636 1.00 0.00 C ATOM 0 H ALA A 4 10.332 9.774 7.851 1.00 0.00 H new ATOM 0 HA ALA A 4 9.763 12.245 6.460 1.00 0.00 H new ATOM 0 HB1 ALA A 4 10.985 11.192 4.647 1.00 0.00 H new ATOM 0 HB2 ALA A 4 11.871 11.058 6.185 1.00 0.00 H new ATOM 0 HB3 ALA A 4 11.003 9.648 5.532 1.00 0.00 H new ATOM 56 N ASP A 5 8.212 11.211 4.465 1.00 0.00 N ATOM 57 CA ASP A 5 7.027 10.893 3.676 1.00 0.00 C ATOM 58 C ASP A 5 7.433 10.846 2.210 1.00 0.00 C ATOM 59 O ASP A 5 8.413 11.486 1.824 1.00 0.00 O ATOM 60 CB ASP A 5 5.941 11.951 3.912 1.00 0.00 C ATOM 61 CG ASP A 5 4.707 11.681 3.041 1.00 0.00 C ATOM 62 OD1 ASP A 5 3.877 10.825 3.420 1.00 0.00 O ATOM 63 OD2 ASP A 5 4.595 12.296 1.960 1.00 0.00 O ATOM 0 H ASP A 5 8.858 11.844 3.994 1.00 0.00 H new ATOM 0 HA ASP A 5 6.618 9.927 3.972 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.654 11.954 4.964 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.339 12.941 3.688 1.00 0.00 H new ATOM 68 N LEU A 6 6.680 10.112 1.391 1.00 0.00 N ATOM 69 CA LEU A 6 6.922 9.957 -0.037 1.00 0.00 C ATOM 70 C LEU A 6 7.073 11.292 -0.780 1.00 0.00 C ATOM 71 O LEU A 6 7.785 11.346 -1.785 1.00 0.00 O ATOM 72 CB LEU A 6 5.766 9.162 -0.660 1.00 0.00 C ATOM 73 CG LEU A 6 5.658 7.665 -0.318 1.00 0.00 C ATOM 74 CD1 LEU A 6 4.496 7.077 -1.127 1.00 0.00 C ATOM 75 CD2 LEU A 6 6.946 6.886 -0.614 1.00 0.00 C ATOM 0 H LEU A 6 5.862 9.596 1.715 1.00 0.00 H new ATOM 0 HA LEU A 6 7.869 9.428 -0.142 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.833 9.641 -0.365 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.842 9.253 -1.743 1.00 0.00 H new ATOM 0 HG LEU A 6 5.485 7.573 0.754 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.397 6.015 -0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.572 7.591 -0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.691 7.207 -2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.805 5.837 -0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.184 6.966 -1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.765 7.300 -0.026 1.00 0.00 H new ATOM 87 N ALA A 7 6.418 12.360 -0.314 1.00 0.00 N ATOM 88 CA ALA A 7 6.523 13.689 -0.895 1.00 0.00 C ATOM 89 C ALA A 7 7.864 14.364 -0.574 1.00 0.00 C ATOM 90 O ALA A 7 8.314 15.220 -1.336 1.00 0.00 O ATOM 91 CB ALA A 7 5.371 14.564 -0.385 1.00 0.00 C ATOM 0 H ALA A 7 5.792 12.318 0.490 1.00 0.00 H new ATOM 0 HA ALA A 7 6.465 13.578 -1.978 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.450 15.560 -0.821 1.00 0.00 H new ATOM 0 HB2 ALA A 7 4.420 14.117 -0.673 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.424 14.638 0.701 1.00 0.00 H new ATOM 97 N LEU A 8 8.490 14.011 0.556 1.00 0.00 N ATOM 98 CA LEU A 8 9.759 14.589 0.997 1.00 0.00 C ATOM 99 C LEU A 8 10.942 13.894 0.320 1.00 0.00 C ATOM 100 O LEU A 8 12.012 14.495 0.212 1.00 0.00 O ATOM 101 CB LEU A 8 9.921 14.480 2.525 1.00 0.00 C ATOM 102 CG LEU A 8 8.815 15.151 3.363 1.00 0.00 C ATOM 103 CD1 LEU A 8 9.146 15.004 4.852 1.00 0.00 C ATOM 104 CD2 LEU A 8 8.629 16.636 3.033 1.00 0.00 C ATOM 0 H LEU A 8 8.122 13.307 1.195 1.00 0.00 H new ATOM 0 HA LEU A 8 9.747 15.641 0.713 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.965 13.424 2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.879 14.919 2.803 1.00 0.00 H new ATOM 0 HG LEU A 8 7.880 14.647 3.118 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.365 15.478 5.447 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.206 13.946 5.109 1.00 0.00 H new ATOM 0 HD13 LEU A 8 10.102 15.483 5.061 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.837 17.051 3.656 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.559 17.171 3.225 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.359 16.744 1.983 1.00 0.00 H new ATOM 116 N ILE A 9 10.768 12.645 -0.128 1.00 0.00 N ATOM 117 CA ILE A 9 11.773 11.916 -0.899 1.00 0.00 C ATOM 118 C ILE A 9 12.124 12.768 -2.139 1.00 0.00 C ATOM 119 O ILE A 9 11.194 13.202 -2.828 1.00 0.00 O ATOM 120 CB ILE A 9 11.239 10.511 -1.273 1.00 0.00 C ATOM 121 CG1 ILE A 9 10.984 9.686 0.010 1.00 0.00 C ATOM 122 CG2 ILE A 9 12.212 9.767 -2.203 1.00 0.00 C ATOM 123 CD1 ILE A 9 10.445 8.274 -0.234 1.00 0.00 C ATOM 0 H ILE A 9 9.916 12.110 0.038 1.00 0.00 H new ATOM 0 HA ILE A 9 12.680 11.755 -0.317 1.00 0.00 H new ATOM 0 HB ILE A 9 10.300 10.638 -1.812 1.00 0.00 H new ATOM 0 HG12 ILE A 9 11.916 9.613 0.570 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.277 10.227 0.639 1.00 0.00 H new ATOM 0 HG21 ILE A 9 11.805 8.785 -2.445 1.00 0.00 H new ATOM 0 HG22 ILE A 9 12.348 10.339 -3.121 1.00 0.00 H new ATOM 0 HG23 ILE A 9 13.174 9.648 -1.704 1.00 0.00 H new ATOM 0 HD11 ILE A 9 10.297 7.771 0.722 1.00 0.00 H new ATOM 0 HD12 ILE A 9 9.494 8.334 -0.764 1.00 0.00 H new ATOM 0 HD13 ILE A 9 11.160 7.710 -0.834 1.00 0.00 H new ATOM 135 N PRO A 10 13.417 13.015 -2.442 1.00 0.00 N ATOM 136 CA PRO A 10 13.840 13.653 -3.687 1.00 0.00 C ATOM 137 C PRO A 10 13.194 12.945 -4.876 1.00 0.00 C ATOM 138 O PRO A 10 13.328 11.728 -5.016 1.00 0.00 O ATOM 139 CB PRO A 10 15.371 13.561 -3.718 1.00 0.00 C ATOM 140 CG PRO A 10 15.745 13.461 -2.241 1.00 0.00 C ATOM 141 CD PRO A 10 14.581 12.677 -1.637 1.00 0.00 C ATOM 0 HA PRO A 10 13.530 14.696 -3.745 1.00 0.00 H new ATOM 0 HB2 PRO A 10 15.711 12.690 -4.279 1.00 0.00 H new ATOM 0 HB3 PRO A 10 15.818 14.437 -4.188 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.694 12.944 -2.100 1.00 0.00 H new ATOM 0 HG3 PRO A 10 15.847 14.445 -1.784 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.776 11.605 -1.662 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.427 12.948 -0.593 1.00 0.00 H new ATOM 149 N ASP A 11 12.501 13.688 -5.736 1.00 0.00 N ATOM 150 CA ASP A 11 11.655 13.085 -6.769 1.00 0.00 C ATOM 151 C ASP A 11 12.440 12.740 -8.037 1.00 0.00 C ATOM 152 O ASP A 11 12.251 11.679 -8.634 1.00 0.00 O ATOM 153 CB ASP A 11 10.490 14.040 -7.062 1.00 0.00 C ATOM 154 CG ASP A 11 9.260 13.288 -7.562 1.00 0.00 C ATOM 155 OD1 ASP A 11 8.822 12.331 -6.886 1.00 0.00 O ATOM 156 OD2 ASP A 11 8.673 13.673 -8.593 1.00 0.00 O ATOM 0 H ASP A 11 12.507 14.708 -5.740 1.00 0.00 H new ATOM 0 HA ASP A 11 11.266 12.136 -6.400 1.00 0.00 H new ATOM 0 HB2 ASP A 11 10.236 14.594 -6.158 1.00 0.00 H new ATOM 0 HB3 ASP A 11 10.798 14.772 -7.808 1.00 0.00 H new ATOM 161 N VAL A 12 13.414 13.580 -8.394 1.00 0.00 N ATOM 162 CA VAL A 12 14.299 13.417 -9.543 1.00 0.00 C ATOM 163 C VAL A 12 15.676 13.899 -9.089 1.00 0.00 C ATOM 164 O VAL A 12 15.777 14.915 -8.397 1.00 0.00 O ATOM 165 CB VAL A 12 13.802 14.261 -10.741 1.00 0.00 C ATOM 166 CG1 VAL A 12 14.670 14.064 -11.995 1.00 0.00 C ATOM 167 CG2 VAL A 12 12.347 13.957 -11.114 1.00 0.00 C ATOM 0 H VAL A 12 13.614 14.429 -7.865 1.00 0.00 H new ATOM 0 HA VAL A 12 14.327 12.379 -9.874 1.00 0.00 H new ATOM 0 HB VAL A 12 13.878 15.295 -10.404 1.00 0.00 H new ATOM 0 HG11 VAL A 12 14.280 14.677 -12.807 1.00 0.00 H new ATOM 0 HG12 VAL A 12 15.696 14.360 -11.777 1.00 0.00 H new ATOM 0 HG13 VAL A 12 14.650 13.015 -12.290 1.00 0.00 H new ATOM 0 HG21 VAL A 12 12.051 14.577 -11.960 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.253 12.905 -11.384 1.00 0.00 H new ATOM 0 HG23 VAL A 12 11.701 14.172 -10.263 1.00 0.00 H new ATOM 177 N ASP A 13 16.726 13.178 -9.475 1.00 0.00 N ATOM 178 CA ASP A 13 18.106 13.621 -9.317 1.00 0.00 C ATOM 179 C ASP A 13 18.913 12.872 -10.366 1.00 0.00 C ATOM 180 O ASP A 13 18.977 11.642 -10.329 1.00 0.00 O ATOM 181 CB ASP A 13 18.650 13.351 -7.908 1.00 0.00 C ATOM 182 CG ASP A 13 20.110 13.816 -7.787 1.00 0.00 C ATOM 183 OD1 ASP A 13 20.441 14.932 -8.247 1.00 0.00 O ATOM 184 OD2 ASP A 13 20.928 13.077 -7.198 1.00 0.00 O ATOM 0 H ASP A 13 16.640 12.260 -9.911 1.00 0.00 H new ATOM 0 HA ASP A 13 18.174 14.701 -9.450 1.00 0.00 H new ATOM 0 HB2 ASP A 13 18.036 13.869 -7.171 1.00 0.00 H new ATOM 0 HB3 ASP A 13 18.583 12.286 -7.686 1.00 0.00 H new ATOM 189 N ILE A 14 19.441 13.596 -11.351 1.00 0.00 N ATOM 190 CA ILE A 14 20.108 13.030 -12.515 1.00 0.00 C ATOM 191 C ILE A 14 21.287 13.925 -12.902 1.00 0.00 C ATOM 192 O ILE A 14 21.289 15.127 -12.612 1.00 0.00 O ATOM 193 CB ILE A 14 19.128 12.867 -13.711 1.00 0.00 C ATOM 194 CG1 ILE A 14 18.442 14.189 -14.142 1.00 0.00 C ATOM 195 CG2 ILE A 14 18.066 11.789 -13.422 1.00 0.00 C ATOM 196 CD1 ILE A 14 17.732 14.099 -15.498 1.00 0.00 C ATOM 0 H ILE A 14 19.415 14.616 -11.359 1.00 0.00 H new ATOM 0 HA ILE A 14 20.472 12.035 -12.260 1.00 0.00 H new ATOM 0 HB ILE A 14 19.747 12.549 -14.550 1.00 0.00 H new ATOM 0 HG12 ILE A 14 17.717 14.478 -13.380 1.00 0.00 H new ATOM 0 HG13 ILE A 14 19.191 14.980 -14.185 1.00 0.00 H new ATOM 0 HG21 ILE A 14 17.396 11.699 -14.277 1.00 0.00 H new ATOM 0 HG22 ILE A 14 18.557 10.833 -13.244 1.00 0.00 H new ATOM 0 HG23 ILE A 14 17.492 12.071 -12.540 1.00 0.00 H new ATOM 0 HD11 ILE A 14 17.275 15.060 -15.734 1.00 0.00 H new ATOM 0 HD12 ILE A 14 18.456 13.841 -16.271 1.00 0.00 H new ATOM 0 HD13 ILE A 14 16.959 13.331 -15.454 1.00 0.00 H new ATOM 208 N ASP A 15 22.297 13.334 -13.540 1.00 0.00 N ATOM 209 CA ASP A 15 23.375 14.088 -14.183 1.00 0.00 C ATOM 210 C ASP A 15 22.807 14.741 -15.464 1.00 0.00 C ATOM 211 O ASP A 15 21.675 14.446 -15.855 1.00 0.00 O ATOM 212 CB ASP A 15 24.561 13.149 -14.462 1.00 0.00 C ATOM 213 CG ASP A 15 25.845 13.871 -14.914 1.00 0.00 C ATOM 214 OD1 ASP A 15 25.938 15.115 -14.810 1.00 0.00 O ATOM 215 OD2 ASP A 15 26.784 13.174 -15.356 1.00 0.00 O ATOM 0 H ASP A 15 22.392 12.322 -13.626 1.00 0.00 H new ATOM 0 HA ASP A 15 23.751 14.882 -13.538 1.00 0.00 H new ATOM 0 HB2 ASP A 15 24.777 12.577 -13.560 1.00 0.00 H new ATOM 0 HB3 ASP A 15 24.270 12.433 -15.231 1.00 0.00 H new ATOM 220 N SER A 16 23.546 15.644 -16.117 1.00 0.00 N ATOM 221 CA SER A 16 23.070 16.416 -17.272 1.00 0.00 C ATOM 222 C SER A 16 24.199 16.749 -18.267 1.00 0.00 C ATOM 223 O SER A 16 24.023 17.629 -19.112 1.00 0.00 O ATOM 224 CB SER A 16 22.411 17.723 -16.780 1.00 0.00 C ATOM 225 OG SER A 16 21.392 17.519 -15.813 1.00 0.00 O ATOM 0 H SER A 16 24.507 15.863 -15.855 1.00 0.00 H new ATOM 0 HA SER A 16 22.345 15.798 -17.801 1.00 0.00 H new ATOM 0 HB2 SER A 16 23.179 18.369 -16.355 1.00 0.00 H new ATOM 0 HB3 SER A 16 21.988 18.251 -17.635 1.00 0.00 H new ATOM 0 HG SER A 16 21.019 18.384 -15.544 1.00 0.00 H new ATOM 231 N ASP A 17 25.352 16.069 -18.200 1.00 0.00 N ATOM 232 CA ASP A 17 26.565 16.465 -18.933 1.00 0.00 C ATOM 233 C ASP A 17 27.016 15.451 -20.000 1.00 0.00 C ATOM 234 O ASP A 17 28.202 15.378 -20.328 1.00 0.00 O ATOM 235 CB ASP A 17 27.669 16.802 -17.913 1.00 0.00 C ATOM 236 CG ASP A 17 28.888 17.500 -18.548 1.00 0.00 C ATOM 237 OD1 ASP A 17 28.714 18.487 -19.299 1.00 0.00 O ATOM 238 OD2 ASP A 17 30.040 17.113 -18.242 1.00 0.00 O ATOM 0 H ASP A 17 25.471 15.228 -17.636 1.00 0.00 H new ATOM 0 HA ASP A 17 26.333 17.354 -19.519 1.00 0.00 H new ATOM 0 HB2 ASP A 17 27.254 17.445 -17.137 1.00 0.00 H new ATOM 0 HB3 ASP A 17 27.997 15.884 -17.425 1.00 0.00 H new ATOM 243 N GLY A 18 26.097 14.656 -20.563 1.00 0.00 N ATOM 244 CA GLY A 18 26.417 13.815 -21.716 1.00 0.00 C ATOM 245 C GLY A 18 25.425 12.678 -21.915 1.00 0.00 C ATOM 246 O GLY A 18 24.228 12.911 -22.106 1.00 0.00 O ATOM 0 H GLY A 18 25.133 14.580 -20.239 1.00 0.00 H new ATOM 0 HA2 GLY A 18 26.439 14.432 -22.614 1.00 0.00 H new ATOM 0 HA3 GLY A 18 27.417 13.400 -21.590 1.00 0.00 H new ATOM 250 N VAL A 19 25.944 11.451 -21.886 1.00 0.00 N ATOM 251 CA VAL A 19 25.220 10.211 -22.128 1.00 0.00 C ATOM 252 C VAL A 19 25.560 9.289 -20.956 1.00 0.00 C ATOM 253 O VAL A 19 26.738 9.107 -20.632 1.00 0.00 O ATOM 254 CB VAL A 19 25.637 9.615 -23.493 1.00 0.00 C ATOM 255 CG1 VAL A 19 24.966 8.257 -23.750 1.00 0.00 C ATOM 256 CG2 VAL A 19 25.305 10.562 -24.659 1.00 0.00 C ATOM 0 H VAL A 19 26.931 11.291 -21.683 1.00 0.00 H new ATOM 0 HA VAL A 19 24.142 10.360 -22.182 1.00 0.00 H new ATOM 0 HB VAL A 19 26.717 9.478 -23.443 1.00 0.00 H new ATOM 0 HG11 VAL A 19 25.284 7.871 -24.719 1.00 0.00 H new ATOM 0 HG12 VAL A 19 25.254 7.555 -22.967 1.00 0.00 H new ATOM 0 HG13 VAL A 19 23.883 8.380 -23.747 1.00 0.00 H new ATOM 0 HG21 VAL A 19 25.614 10.105 -25.599 1.00 0.00 H new ATOM 0 HG22 VAL A 19 24.231 10.748 -24.682 1.00 0.00 H new ATOM 0 HG23 VAL A 19 25.834 11.505 -24.523 1.00 0.00 H new ATOM 266 N PHE A 20 24.539 8.745 -20.296 1.00 0.00 N ATOM 267 CA PHE A 20 24.660 7.928 -19.091 1.00 0.00 C ATOM 268 C PHE A 20 23.370 7.121 -18.922 1.00 0.00 C ATOM 269 O PHE A 20 22.374 7.375 -19.602 1.00 0.00 O ATOM 270 CB PHE A 20 24.924 8.823 -17.866 1.00 0.00 C ATOM 271 CG PHE A 20 23.910 9.936 -17.681 1.00 0.00 C ATOM 272 CD1 PHE A 20 22.739 9.706 -16.933 1.00 0.00 C ATOM 273 CD2 PHE A 20 24.106 11.180 -18.313 1.00 0.00 C ATOM 274 CE1 PHE A 20 21.755 10.703 -16.845 1.00 0.00 C ATOM 275 CE2 PHE A 20 23.113 12.170 -18.240 1.00 0.00 C ATOM 276 CZ PHE A 20 21.933 11.923 -17.519 1.00 0.00 C ATOM 0 H PHE A 20 23.572 8.865 -20.596 1.00 0.00 H new ATOM 0 HA PHE A 20 25.503 7.243 -19.182 1.00 0.00 H new ATOM 0 HB2 PHE A 20 24.932 8.201 -16.971 1.00 0.00 H new ATOM 0 HB3 PHE A 20 25.917 9.263 -17.958 1.00 0.00 H new ATOM 0 HD1 PHE A 20 22.598 8.762 -16.427 1.00 0.00 H new ATOM 0 HD2 PHE A 20 25.021 11.372 -18.854 1.00 0.00 H new ATOM 0 HE1 PHE A 20 20.863 10.533 -16.260 1.00 0.00 H new ATOM 0 HE2 PHE A 20 23.256 13.118 -18.737 1.00 0.00 H new ATOM 0 HZ PHE A 20 21.158 12.675 -17.483 1.00 0.00 H new ATOM 286 N LYS A 21 23.371 6.134 -18.026 1.00 0.00 N ATOM 287 CA LYS A 21 22.249 5.209 -17.873 1.00 0.00 C ATOM 288 C LYS A 21 21.409 5.615 -16.670 1.00 0.00 C ATOM 289 O LYS A 21 21.885 6.325 -15.780 1.00 0.00 O ATOM 290 CB LYS A 21 22.769 3.769 -17.773 1.00 0.00 C ATOM 291 CG LYS A 21 23.412 3.323 -19.099 1.00 0.00 C ATOM 292 CD LYS A 21 24.147 1.991 -18.936 1.00 0.00 C ATOM 293 CE LYS A 21 25.011 1.706 -20.173 1.00 0.00 C ATOM 294 NZ LYS A 21 25.832 0.481 -20.009 1.00 0.00 N ATOM 0 H LYS A 21 24.146 5.954 -17.388 1.00 0.00 H new ATOM 0 HA LYS A 21 21.602 5.255 -18.749 1.00 0.00 H new ATOM 0 HB2 LYS A 21 23.500 3.697 -16.968 1.00 0.00 H new ATOM 0 HB3 LYS A 21 21.948 3.099 -17.519 1.00 0.00 H new ATOM 0 HG2 LYS A 21 22.643 3.226 -19.865 1.00 0.00 H new ATOM 0 HG3 LYS A 21 24.109 4.087 -19.443 1.00 0.00 H new ATOM 0 HD2 LYS A 21 24.774 2.020 -18.045 1.00 0.00 H new ATOM 0 HD3 LYS A 21 23.427 1.185 -18.793 1.00 0.00 H new ATOM 0 HE2 LYS A 21 24.368 1.597 -21.047 1.00 0.00 H new ATOM 0 HE3 LYS A 21 25.665 2.557 -20.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 26.634 0.510 -20.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 26.189 0.430 -19.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 25.249 -0.357 -20.209 1.00 0.00 H new ATOM 308 N TYR A 22 20.152 5.179 -16.656 1.00 0.00 N ATOM 309 CA TYR A 22 19.158 5.601 -15.681 1.00 0.00 C ATOM 310 C TYR A 22 18.258 4.411 -15.321 1.00 0.00 C ATOM 311 O TYR A 22 18.292 3.365 -15.986 1.00 0.00 O ATOM 312 CB TYR A 22 18.397 6.831 -16.226 1.00 0.00 C ATOM 313 CG TYR A 22 16.925 6.614 -16.479 1.00 0.00 C ATOM 314 CD1 TYR A 22 16.532 5.825 -17.568 1.00 0.00 C ATOM 315 CD2 TYR A 22 15.964 7.091 -15.567 1.00 0.00 C ATOM 316 CE1 TYR A 22 15.192 5.454 -17.718 1.00 0.00 C ATOM 317 CE2 TYR A 22 14.612 6.752 -15.731 1.00 0.00 C ATOM 318 CZ TYR A 22 14.225 5.921 -16.803 1.00 0.00 C ATOM 319 OH TYR A 22 12.921 5.589 -16.977 1.00 0.00 O ATOM 0 H TYR A 22 19.792 4.510 -17.336 1.00 0.00 H new ATOM 0 HA TYR A 22 19.626 5.920 -14.749 1.00 0.00 H new ATOM 0 HB2 TYR A 22 18.511 7.652 -15.518 1.00 0.00 H new ATOM 0 HB3 TYR A 22 18.867 7.146 -17.158 1.00 0.00 H new ATOM 0 HD1 TYR A 22 17.265 5.503 -18.293 1.00 0.00 H new ATOM 0 HD2 TYR A 22 16.267 7.718 -14.741 1.00 0.00 H new ATOM 0 HE1 TYR A 22 14.898 4.810 -18.534 1.00 0.00 H new ATOM 0 HE2 TYR A 22 13.871 7.126 -15.040 1.00 0.00 H new ATOM 0 HH TYR A 22 12.374 6.402 -16.978 1.00 0.00 H new ATOM 329 N VAL A 23 17.452 4.574 -14.272 1.00 0.00 N ATOM 330 CA VAL A 23 16.484 3.600 -13.797 1.00 0.00 C ATOM 331 C VAL A 23 15.262 4.359 -13.250 1.00 0.00 C ATOM 332 O VAL A 23 15.380 5.509 -12.805 1.00 0.00 O ATOM 333 CB VAL A 23 17.183 2.678 -12.768 1.00 0.00 C ATOM 334 CG1 VAL A 23 17.499 3.389 -11.443 1.00 0.00 C ATOM 335 CG2 VAL A 23 16.402 1.388 -12.497 1.00 0.00 C ATOM 0 H VAL A 23 17.460 5.425 -13.710 1.00 0.00 H new ATOM 0 HA VAL A 23 16.114 2.950 -14.590 1.00 0.00 H new ATOM 0 HB VAL A 23 18.129 2.407 -13.237 1.00 0.00 H new ATOM 0 HG11 VAL A 23 17.988 2.691 -10.763 1.00 0.00 H new ATOM 0 HG12 VAL A 23 18.160 4.235 -11.633 1.00 0.00 H new ATOM 0 HG13 VAL A 23 16.573 3.746 -10.992 1.00 0.00 H new ATOM 0 HG21 VAL A 23 16.941 0.783 -11.768 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.416 1.635 -12.105 1.00 0.00 H new ATOM 0 HG23 VAL A 23 16.293 0.827 -13.425 1.00 0.00 H new ATOM 345 N LEU A 24 14.098 3.701 -13.249 1.00 0.00 N ATOM 346 CA LEU A 24 12.844 4.223 -12.716 1.00 0.00 C ATOM 347 C LEU A 24 12.461 3.278 -11.590 1.00 0.00 C ATOM 348 O LEU A 24 12.217 2.099 -11.863 1.00 0.00 O ATOM 349 CB LEU A 24 11.776 4.229 -13.831 1.00 0.00 C ATOM 350 CG LEU A 24 10.409 4.850 -13.466 1.00 0.00 C ATOM 351 CD1 LEU A 24 10.526 6.352 -13.197 1.00 0.00 C ATOM 352 CD2 LEU A 24 9.420 4.634 -14.619 1.00 0.00 C ATOM 0 H LEU A 24 14.004 2.760 -13.632 1.00 0.00 H new ATOM 0 HA LEU A 24 12.933 5.247 -12.353 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.179 4.769 -14.688 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.610 3.200 -14.151 1.00 0.00 H new ATOM 0 HG LEU A 24 10.055 4.360 -12.559 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.545 6.754 -12.944 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.213 6.521 -12.367 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.904 6.853 -14.088 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.457 5.073 -14.359 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.804 5.110 -15.522 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.296 3.566 -14.797 1.00 0.00 H new ATOM 364 N ILE A 25 12.442 3.747 -10.339 1.00 0.00 N ATOM 365 CA ILE A 25 12.191 2.875 -9.193 1.00 0.00 C ATOM 366 C ILE A 25 10.925 3.339 -8.484 1.00 0.00 C ATOM 367 O ILE A 25 10.758 4.528 -8.206 1.00 0.00 O ATOM 368 CB ILE A 25 13.439 2.651 -8.282 1.00 0.00 C ATOM 369 CG1 ILE A 25 13.324 3.226 -6.852 1.00 0.00 C ATOM 370 CG2 ILE A 25 14.784 3.078 -8.910 1.00 0.00 C ATOM 371 CD1 ILE A 25 14.383 2.690 -5.884 1.00 0.00 C ATOM 0 H ILE A 25 12.598 4.725 -10.096 1.00 0.00 H new ATOM 0 HA ILE A 25 12.004 1.861 -9.547 1.00 0.00 H new ATOM 0 HB ILE A 25 13.443 1.565 -8.193 1.00 0.00 H new ATOM 0 HG12 ILE A 25 13.405 4.312 -6.899 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.334 2.997 -6.457 1.00 0.00 H new ATOM 0 HG21 ILE A 25 15.592 2.885 -8.205 1.00 0.00 H new ATOM 0 HG22 ILE A 25 14.956 2.509 -9.824 1.00 0.00 H new ATOM 0 HG23 ILE A 25 14.754 4.142 -9.146 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.238 3.139 -4.901 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.289 1.607 -5.806 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.376 2.942 -6.255 1.00 0.00 H new ATOM 383 N ARG A 26 10.027 2.394 -8.212 1.00 0.00 N ATOM 384 CA ARG A 26 8.866 2.591 -7.360 1.00 0.00 C ATOM 385 C ARG A 26 9.332 2.556 -5.916 1.00 0.00 C ATOM 386 O ARG A 26 10.221 1.772 -5.586 1.00 0.00 O ATOM 387 CB ARG A 26 7.853 1.474 -7.645 1.00 0.00 C ATOM 388 CG ARG A 26 6.573 1.601 -6.799 1.00 0.00 C ATOM 389 CD ARG A 26 5.402 0.841 -7.430 1.00 0.00 C ATOM 390 NE ARG A 26 4.908 1.566 -8.607 1.00 0.00 N ATOM 391 CZ ARG A 26 3.919 1.232 -9.433 1.00 0.00 C ATOM 392 NH1 ARG A 26 3.301 0.055 -9.349 1.00 0.00 N ATOM 393 NH2 ARG A 26 3.579 2.133 -10.341 1.00 0.00 N ATOM 0 H ARG A 26 10.092 1.449 -8.589 1.00 0.00 H new ATOM 0 HA ARG A 26 8.384 3.549 -7.554 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.588 1.491 -8.702 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.319 0.508 -7.449 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.759 1.216 -5.796 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.309 2.653 -6.693 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.721 -0.161 -7.717 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.599 0.724 -6.702 1.00 0.00 H new ATOM 0 HE ARG A 26 5.386 2.442 -8.820 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.582 -0.619 -8.637 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.546 -0.172 -9.996 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.068 3.027 -10.380 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.828 1.933 -11.001 1.00 0.00 H new ATOM 407 N VAL A 27 8.692 3.341 -5.062 1.00 0.00 N ATOM 408 CA VAL A 27 8.974 3.469 -3.647 1.00 0.00 C ATOM 409 C VAL A 27 7.618 3.363 -2.950 1.00 0.00 C ATOM 410 O VAL A 27 6.679 4.067 -3.330 1.00 0.00 O ATOM 411 CB VAL A 27 9.655 4.832 -3.371 1.00 0.00 C ATOM 412 CG1 VAL A 27 10.090 4.942 -1.900 1.00 0.00 C ATOM 413 CG2 VAL A 27 10.851 5.124 -4.295 1.00 0.00 C ATOM 0 H VAL A 27 7.919 3.937 -5.358 1.00 0.00 H new ATOM 0 HA VAL A 27 9.657 2.701 -3.283 1.00 0.00 H new ATOM 0 HB VAL A 27 8.899 5.587 -3.588 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.565 5.908 -1.732 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.216 4.851 -1.254 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.797 4.145 -1.669 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.277 6.095 -4.043 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.608 4.351 -4.165 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.516 5.133 -5.332 1.00 0.00 H new ATOM 423 N HIS A 28 7.507 2.474 -1.963 1.00 0.00 N ATOM 424 CA HIS A 28 6.301 2.268 -1.168 1.00 0.00 C ATOM 425 C HIS A 28 6.434 3.026 0.155 1.00 0.00 C ATOM 426 O HIS A 28 7.542 3.180 0.679 1.00 0.00 O ATOM 427 CB HIS A 28 6.123 0.766 -0.909 1.00 0.00 C ATOM 428 CG HIS A 28 6.067 -0.064 -2.170 1.00 0.00 C ATOM 429 ND1 HIS A 28 5.108 0.004 -3.155 1.00 0.00 N ATOM 430 CD2 HIS A 28 6.968 -1.018 -2.559 1.00 0.00 C ATOM 431 CE1 HIS A 28 5.415 -0.895 -4.103 1.00 0.00 C ATOM 432 NE2 HIS A 28 6.549 -1.547 -3.788 1.00 0.00 N ATOM 0 H HIS A 28 8.275 1.862 -1.689 1.00 0.00 H new ATOM 0 HA HIS A 28 5.428 2.643 -1.703 1.00 0.00 H new ATOM 0 HB2 HIS A 28 6.947 0.413 -0.288 1.00 0.00 H new ATOM 0 HB3 HIS A 28 5.206 0.610 -0.341 1.00 0.00 H new ATOM 0 HD2 HIS A 28 7.851 -1.313 -2.012 1.00 0.00 H new ATOM 0 HE1 HIS A 28 4.832 -1.071 -4.995 1.00 0.00 H new ATOM 0 HE2 HIS A 28 7.010 -2.277 -4.332 1.00 0.00 H new ATOM 440 N SER A 29 5.306 3.478 0.709 1.00 0.00 N ATOM 441 CA SER A 29 5.251 4.193 1.978 1.00 0.00 C ATOM 442 C SER A 29 5.669 3.277 3.137 1.00 0.00 C ATOM 443 O SER A 29 4.862 2.486 3.630 1.00 0.00 O ATOM 444 CB SER A 29 3.836 4.722 2.251 1.00 0.00 C ATOM 445 OG SER A 29 3.345 5.532 1.212 1.00 0.00 O ATOM 0 H SER A 29 4.391 3.353 0.277 1.00 0.00 H new ATOM 0 HA SER A 29 5.943 5.033 1.908 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.161 3.879 2.398 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.840 5.293 3.179 1.00 0.00 H new ATOM 0 HG SER A 29 3.067 4.968 0.461 1.00 0.00 H new ATOM 451 N ALA A 30 6.926 3.371 3.572 1.00 0.00 N ATOM 452 CA ALA A 30 7.412 2.744 4.795 1.00 0.00 C ATOM 453 C ALA A 30 8.547 3.511 5.522 1.00 0.00 C ATOM 454 O ALA A 30 9.199 2.868 6.346 1.00 0.00 O ATOM 455 CB ALA A 30 7.779 1.273 4.513 1.00 0.00 C ATOM 0 H ALA A 30 7.645 3.895 3.073 1.00 0.00 H new ATOM 0 HA ALA A 30 6.590 2.782 5.510 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.142 0.807 5.429 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.897 0.739 4.159 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.558 1.232 3.752 1.00 0.00 H new ATOM 461 N PRO A 31 8.839 4.822 5.305 1.00 0.00 N ATOM 462 CA PRO A 31 9.798 5.545 6.142 1.00 0.00 C ATOM 463 C PRO A 31 9.694 5.236 7.640 1.00 0.00 C ATOM 464 O PRO A 31 8.600 5.203 8.212 1.00 0.00 O ATOM 465 CB PRO A 31 9.563 7.029 5.881 1.00 0.00 C ATOM 466 CG PRO A 31 9.147 7.044 4.417 1.00 0.00 C ATOM 467 CD PRO A 31 8.347 5.747 4.281 1.00 0.00 C ATOM 0 HA PRO A 31 10.805 5.226 5.873 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.786 7.437 6.528 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.463 7.619 6.053 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.543 7.919 4.177 1.00 0.00 H new ATOM 0 HG3 PRO A 31 10.010 7.059 3.751 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.282 5.937 4.414 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.473 5.321 3.286 1.00 0.00 H new ATOM 475 N ARG A 32 10.859 5.017 8.259 1.00 0.00 N ATOM 476 CA ARG A 32 11.082 4.653 9.662 1.00 0.00 C ATOM 477 C ARG A 32 10.172 3.508 10.151 1.00 0.00 C ATOM 478 O ARG A 32 9.951 3.382 11.356 1.00 0.00 O ATOM 479 CB ARG A 32 10.978 5.909 10.552 1.00 0.00 C ATOM 480 CG ARG A 32 11.693 7.194 10.074 1.00 0.00 C ATOM 481 CD ARG A 32 13.139 7.359 10.551 1.00 0.00 C ATOM 482 NE ARG A 32 14.139 6.641 9.737 1.00 0.00 N ATOM 483 CZ ARG A 32 15.458 6.702 9.980 1.00 0.00 C ATOM 484 NH1 ARG A 32 15.924 7.432 10.993 1.00 0.00 N ATOM 485 NH2 ARG A 32 16.325 6.045 9.219 1.00 0.00 N ATOM 0 H ARG A 32 11.740 5.096 7.751 1.00 0.00 H new ATOM 0 HA ARG A 32 12.093 4.254 9.740 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.921 6.142 10.680 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.370 5.655 11.537 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.684 7.210 8.984 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.117 8.056 10.410 1.00 0.00 H new ATOM 0 HD2 ARG A 32 13.388 8.420 10.556 1.00 0.00 H new ATOM 0 HD3 ARG A 32 13.210 7.010 11.581 1.00 0.00 H new ATOM 0 HE ARG A 32 13.813 6.073 8.955 1.00 0.00 H new ATOM 0 HH11 ARG A 32 15.277 7.949 11.589 1.00 0.00 H new ATOM 0 HH12 ARG A 32 16.927 7.474 11.172 1.00 0.00 H new ATOM 0 HH21 ARG A 32 15.992 5.483 8.436 1.00 0.00 H new ATOM 0 HH22 ARG A 32 17.324 6.102 9.418 1.00 0.00 H new ATOM 499 N SER A 33 9.631 2.689 9.242 1.00 0.00 N ATOM 500 CA SER A 33 8.613 1.678 9.517 1.00 0.00 C ATOM 501 C SER A 33 7.409 2.244 10.298 1.00 0.00 C ATOM 502 O SER A 33 6.818 1.540 11.121 1.00 0.00 O ATOM 503 CB SER A 33 9.264 0.451 10.180 1.00 0.00 C ATOM 504 OG SER A 33 10.407 0.017 9.453 1.00 0.00 O ATOM 0 H SER A 33 9.903 2.716 8.259 1.00 0.00 H new ATOM 0 HA SER A 33 8.184 1.347 8.571 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.552 0.697 11.202 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.539 -0.360 10.240 1.00 0.00 H new ATOM 0 HG SER A 33 10.801 -0.762 9.898 1.00 0.00 H new ATOM 510 N GLY A 34 7.043 3.513 10.063 1.00 0.00 N ATOM 511 CA GLY A 34 5.999 4.209 10.817 1.00 0.00 C ATOM 512 C GLY A 34 5.155 5.163 9.968 1.00 0.00 C ATOM 513 O GLY A 34 4.388 5.949 10.529 1.00 0.00 O ATOM 0 H GLY A 34 7.470 4.087 9.336 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.343 3.470 11.277 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.463 4.772 11.627 1.00 0.00 H new ATOM 517 N ALA A 35 5.292 5.125 8.638 1.00 0.00 N ATOM 518 CA ALA A 35 4.498 5.946 7.726 1.00 0.00 C ATOM 519 C ALA A 35 2.991 5.639 7.874 1.00 0.00 C ATOM 520 O ALA A 35 2.631 4.500 8.184 1.00 0.00 O ATOM 521 CB ALA A 35 4.991 5.710 6.295 1.00 0.00 C ATOM 0 H ALA A 35 5.962 4.519 8.164 1.00 0.00 H new ATOM 0 HA ALA A 35 4.625 7.000 7.973 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.406 6.317 5.604 1.00 0.00 H new ATOM 0 HB2 ALA A 35 6.042 5.988 6.222 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.876 4.657 6.039 1.00 0.00 H new ATOM 527 N PRO A 36 2.097 6.620 7.636 1.00 0.00 N ATOM 528 CA PRO A 36 0.670 6.504 7.950 1.00 0.00 C ATOM 529 C PRO A 36 -0.155 5.712 6.923 1.00 0.00 C ATOM 530 O PRO A 36 -1.356 5.523 7.136 1.00 0.00 O ATOM 531 CB PRO A 36 0.177 7.954 8.045 1.00 0.00 C ATOM 532 CG PRO A 36 1.063 8.685 7.039 1.00 0.00 C ATOM 533 CD PRO A 36 2.407 7.983 7.220 1.00 0.00 C ATOM 0 HA PRO A 36 0.540 5.934 8.870 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -0.879 8.039 7.789 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.294 8.355 9.052 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.687 8.588 6.020 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.129 9.751 7.254 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.977 7.987 6.291 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.014 8.491 7.969 1.00 0.00 H new ATOM 541 N ALA A 37 0.439 5.277 5.808 1.00 0.00 N ATOM 542 CA ALA A 37 -0.271 4.705 4.667 1.00 0.00 C ATOM 543 C ALA A 37 0.618 3.686 3.943 1.00 0.00 C ATOM 544 O ALA A 37 1.749 3.440 4.366 1.00 0.00 O ATOM 545 CB ALA A 37 -0.673 5.860 3.737 1.00 0.00 C ATOM 0 H ALA A 37 1.449 5.315 5.673 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.164 4.173 4.996 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.206 5.463 2.873 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.319 6.553 4.276 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.221 6.385 3.401 1.00 0.00 H new ATOM 551 N ALA A 38 0.115 3.134 2.833 1.00 0.00 N ATOM 552 CA ALA A 38 0.825 2.233 1.925 1.00 0.00 C ATOM 553 C ALA A 38 0.646 2.706 0.479 1.00 0.00 C ATOM 554 O ALA A 38 0.448 1.906 -0.439 1.00 0.00 O ATOM 555 CB ALA A 38 0.395 0.781 2.160 1.00 0.00 C ATOM 0 H ALA A 38 -0.843 3.313 2.531 1.00 0.00 H new ATOM 0 HA ALA A 38 1.895 2.261 2.131 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.934 0.126 1.475 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.621 0.496 3.188 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.677 0.686 1.985 1.00 0.00 H new ATOM 561 N GLU A 39 0.673 4.028 0.292 1.00 0.00 N ATOM 562 CA GLU A 39 0.734 4.645 -1.026 1.00 0.00 C ATOM 563 C GLU A 39 2.100 4.335 -1.661 1.00 0.00 C ATOM 564 O GLU A 39 3.028 3.917 -0.957 1.00 0.00 O ATOM 565 CB GLU A 39 0.527 6.167 -0.891 1.00 0.00 C ATOM 566 CG GLU A 39 -0.866 6.582 -0.392 1.00 0.00 C ATOM 567 CD GLU A 39 -1.918 6.578 -1.515 1.00 0.00 C ATOM 568 OE1 GLU A 39 -2.096 7.618 -2.189 1.00 0.00 O ATOM 569 OE2 GLU A 39 -2.595 5.547 -1.728 1.00 0.00 O ATOM 0 H GLU A 39 0.653 4.700 1.059 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.052 4.245 -1.666 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.277 6.563 -0.206 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.704 6.632 -1.861 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.182 5.903 0.400 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.810 7.579 0.046 1.00 0.00 H new ATOM 576 N SER A 40 2.255 4.597 -2.963 1.00 0.00 N ATOM 577 CA SER A 40 3.520 4.445 -3.679 1.00 0.00 C ATOM 578 C SER A 40 3.703 5.584 -4.689 1.00 0.00 C ATOM 579 O SER A 40 2.726 6.213 -5.108 1.00 0.00 O ATOM 580 CB SER A 40 3.578 3.093 -4.405 1.00 0.00 C ATOM 581 OG SER A 40 3.148 2.020 -3.582 1.00 0.00 O ATOM 0 H SER A 40 1.492 4.925 -3.555 1.00 0.00 H new ATOM 0 HA SER A 40 4.327 4.483 -2.948 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.954 3.136 -5.298 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.599 2.906 -4.738 1.00 0.00 H new ATOM 0 HG SER A 40 3.786 1.279 -3.650 1.00 0.00 H new ATOM 587 N LYS A 41 4.951 5.834 -5.093 1.00 0.00 N ATOM 588 CA LYS A 41 5.343 6.802 -6.125 1.00 0.00 C ATOM 589 C LYS A 41 6.630 6.330 -6.780 1.00 0.00 C ATOM 590 O LYS A 41 7.285 5.431 -6.256 1.00 0.00 O ATOM 591 CB LYS A 41 5.457 8.237 -5.566 1.00 0.00 C ATOM 592 CG LYS A 41 6.300 8.433 -4.295 1.00 0.00 C ATOM 593 CD LYS A 41 7.830 8.510 -4.408 1.00 0.00 C ATOM 594 CE LYS A 41 8.357 9.721 -5.185 1.00 0.00 C ATOM 595 NZ LYS A 41 7.900 11.033 -4.660 1.00 0.00 N ATOM 0 H LYS A 41 5.753 5.346 -4.693 1.00 0.00 H new ATOM 0 HA LYS A 41 4.561 6.851 -6.883 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.873 8.872 -6.348 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.450 8.601 -5.362 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.961 9.352 -3.816 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.063 7.614 -3.616 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.254 8.528 -3.404 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.191 7.602 -4.890 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.447 9.698 -5.174 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.047 9.632 -6.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.314 11.798 -5.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.863 11.085 -4.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.203 11.136 -3.670 1.00 0.00 H new ATOM 609 N GLU A 42 6.997 6.911 -7.920 1.00 0.00 N ATOM 610 CA GLU A 42 8.225 6.562 -8.625 1.00 0.00 C ATOM 611 C GLU A 42 9.223 7.708 -8.497 1.00 0.00 C ATOM 612 O GLU A 42 8.819 8.868 -8.358 1.00 0.00 O ATOM 613 CB GLU A 42 7.931 6.249 -10.102 1.00 0.00 C ATOM 614 CG GLU A 42 7.183 4.922 -10.294 1.00 0.00 C ATOM 615 CD GLU A 42 5.673 5.087 -9.913 1.00 0.00 C ATOM 616 OE1 GLU A 42 5.683 3.839 -9.967 1.00 0.00 O ATOM 617 OE2 GLU A 42 4.473 4.810 -9.672 1.00 0.00 O ATOM 0 H GLU A 42 6.449 7.638 -8.380 1.00 0.00 H new ATOM 0 HA GLU A 42 8.656 5.666 -8.178 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.339 7.059 -10.529 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.870 6.214 -10.655 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.270 4.595 -11.330 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.638 4.148 -9.676 1.00 0.00 H new ATOM 624 N ILE A 43 10.514 7.386 -8.584 1.00 0.00 N ATOM 625 CA ILE A 43 11.610 8.344 -8.620 1.00 0.00 C ATOM 626 C ILE A 43 12.528 8.015 -9.794 1.00 0.00 C ATOM 627 O ILE A 43 12.600 6.866 -10.242 1.00 0.00 O ATOM 628 CB ILE A 43 12.385 8.385 -7.282 1.00 0.00 C ATOM 629 CG1 ILE A 43 13.004 7.028 -6.884 1.00 0.00 C ATOM 630 CG2 ILE A 43 11.466 8.914 -6.178 1.00 0.00 C ATOM 631 CD1 ILE A 43 13.902 7.090 -5.640 1.00 0.00 C ATOM 0 H ILE A 43 10.832 6.418 -8.633 1.00 0.00 H new ATOM 0 HA ILE A 43 11.197 9.343 -8.762 1.00 0.00 H new ATOM 0 HB ILE A 43 13.230 9.060 -7.419 1.00 0.00 H new ATOM 0 HG12 ILE A 43 12.201 6.313 -6.704 1.00 0.00 H new ATOM 0 HG13 ILE A 43 13.588 6.647 -7.722 1.00 0.00 H new ATOM 0 HG21 ILE A 43 12.011 8.944 -5.234 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.130 9.919 -6.435 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.602 8.257 -6.078 1.00 0.00 H new ATOM 0 HD11 ILE A 43 14.298 6.097 -5.427 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.728 7.778 -5.821 1.00 0.00 H new ATOM 0 HD13 ILE A 43 13.319 7.439 -4.788 1.00 0.00 H new ATOM 643 N VAL A 44 13.240 9.036 -10.265 1.00 0.00 N ATOM 644 CA VAL A 44 14.042 8.993 -11.481 1.00 0.00 C ATOM 645 C VAL A 44 15.486 9.248 -11.060 1.00 0.00 C ATOM 646 O VAL A 44 15.762 10.275 -10.425 1.00 0.00 O ATOM 647 CB VAL A 44 13.507 10.072 -12.450 1.00 0.00 C ATOM 648 CG1 VAL A 44 14.327 10.176 -13.743 1.00 0.00 C ATOM 649 CG2 VAL A 44 12.039 9.830 -12.835 1.00 0.00 C ATOM 0 H VAL A 44 13.275 9.941 -9.796 1.00 0.00 H new ATOM 0 HA VAL A 44 13.988 8.035 -11.999 1.00 0.00 H new ATOM 0 HB VAL A 44 13.596 11.007 -11.897 1.00 0.00 H new ATOM 0 HG11 VAL A 44 13.902 10.950 -14.382 1.00 0.00 H new ATOM 0 HG12 VAL A 44 15.358 10.431 -13.500 1.00 0.00 H new ATOM 0 HG13 VAL A 44 14.304 9.220 -14.267 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.708 10.613 -13.517 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.946 8.860 -13.324 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.420 9.845 -11.938 1.00 0.00 H new ATOM 659 N ARG A 45 16.397 8.325 -11.391 1.00 0.00 N ATOM 660 CA ARG A 45 17.824 8.408 -11.064 1.00 0.00 C ATOM 661 C ARG A 45 18.623 8.003 -12.290 1.00 0.00 C ATOM 662 O ARG A 45 18.201 7.105 -13.018 1.00 0.00 O ATOM 663 CB ARG A 45 18.183 7.445 -9.914 1.00 0.00 C ATOM 664 CG ARG A 45 17.564 7.806 -8.558 1.00 0.00 C ATOM 665 CD ARG A 45 18.062 9.140 -7.993 1.00 0.00 C ATOM 666 NE ARG A 45 16.947 10.085 -7.915 1.00 0.00 N ATOM 667 CZ ARG A 45 16.199 10.356 -6.845 1.00 0.00 C ATOM 668 NH1 ARG A 45 16.573 9.993 -5.621 1.00 0.00 N ATOM 669 NH2 ARG A 45 15.046 10.980 -7.028 1.00 0.00 N ATOM 0 H ARG A 45 16.155 7.479 -11.907 1.00 0.00 H new ATOM 0 HA ARG A 45 18.055 9.428 -10.757 1.00 0.00 H new ATOM 0 HB2 ARG A 45 17.864 6.439 -10.188 1.00 0.00 H new ATOM 0 HB3 ARG A 45 19.267 7.417 -9.807 1.00 0.00 H new ATOM 0 HG2 ARG A 45 16.480 7.847 -8.662 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.786 7.013 -7.844 1.00 0.00 H new ATOM 0 HD2 ARG A 45 18.494 8.989 -7.004 1.00 0.00 H new ATOM 0 HD3 ARG A 45 18.851 9.544 -8.628 1.00 0.00 H new ATOM 0 HE ARG A 45 16.718 10.590 -8.771 1.00 0.00 H new ATOM 0 HH11 ARG A 45 17.452 9.494 -5.483 1.00 0.00 H new ATOM 0 HH12 ARG A 45 15.981 10.214 -4.820 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.751 11.240 -7.969 1.00 0.00 H new ATOM 0 HH22 ARG A 45 14.453 11.200 -6.228 1.00 0.00 H new ATOM 683 N GLY A 46 19.793 8.603 -12.489 1.00 0.00 N ATOM 684 CA GLY A 46 20.699 8.237 -13.563 1.00 0.00 C ATOM 685 C GLY A 46 21.942 9.096 -13.493 1.00 0.00 C ATOM 686 O GLY A 46 21.836 10.321 -13.393 1.00 0.00 O ATOM 0 H GLY A 46 20.138 9.363 -11.902 1.00 0.00 H new ATOM 0 HA2 GLY A 46 20.968 7.184 -13.483 1.00 0.00 H new ATOM 0 HA3 GLY A 46 20.208 8.368 -14.527 1.00 0.00 H new ATOM 690 N TYR A 47 23.111 8.458 -13.532 1.00 0.00 N ATOM 691 CA TYR A 47 24.388 9.132 -13.346 1.00 0.00 C ATOM 692 C TYR A 47 25.460 8.383 -14.122 1.00 0.00 C ATOM 693 O TYR A 47 25.385 7.163 -14.276 1.00 0.00 O ATOM 694 CB TYR A 47 24.790 9.148 -11.862 1.00 0.00 C ATOM 695 CG TYR A 47 23.720 9.570 -10.871 1.00 0.00 C ATOM 696 CD1 TYR A 47 22.883 8.587 -10.313 1.00 0.00 C ATOM 697 CD2 TYR A 47 23.605 10.909 -10.455 1.00 0.00 C ATOM 698 CE1 TYR A 47 21.960 8.924 -9.310 1.00 0.00 C ATOM 699 CE2 TYR A 47 22.682 11.257 -9.450 1.00 0.00 C ATOM 700 CZ TYR A 47 21.872 10.259 -8.857 1.00 0.00 C ATOM 701 OH TYR A 47 21.043 10.552 -7.821 1.00 0.00 O ATOM 0 H TYR A 47 23.195 7.455 -13.694 1.00 0.00 H new ATOM 0 HA TYR A 47 24.291 10.158 -13.701 1.00 0.00 H new ATOM 0 HB2 TYR A 47 25.130 8.149 -11.591 1.00 0.00 H new ATOM 0 HB3 TYR A 47 25.643 9.817 -11.748 1.00 0.00 H new ATOM 0 HD1 TYR A 47 22.951 7.566 -10.658 1.00 0.00 H new ATOM 0 HD2 TYR A 47 24.224 11.670 -10.906 1.00 0.00 H new ATOM 0 HE1 TYR A 47 21.319 8.165 -8.886 1.00 0.00 H new ATOM 0 HE2 TYR A 47 22.592 12.285 -9.132 1.00 0.00 H new ATOM 0 HH TYR A 47 21.189 11.479 -7.537 1.00 0.00 H new ATOM 711 N LYS A 48 26.499 9.102 -14.550 1.00 0.00 N ATOM 712 CA LYS A 48 27.633 8.538 -15.277 1.00 0.00 C ATOM 713 C LYS A 48 28.375 7.467 -14.467 1.00 0.00 C ATOM 714 O LYS A 48 28.912 6.538 -15.069 1.00 0.00 O ATOM 715 CB LYS A 48 28.518 9.714 -15.722 1.00 0.00 C ATOM 716 CG LYS A 48 29.830 9.335 -16.424 1.00 0.00 C ATOM 717 CD LYS A 48 30.384 10.557 -17.174 1.00 0.00 C ATOM 718 CE LYS A 48 31.882 10.411 -17.464 1.00 0.00 C ATOM 719 NZ LYS A 48 32.396 11.522 -18.302 1.00 0.00 N ATOM 0 H LYS A 48 26.576 10.108 -14.398 1.00 0.00 H new ATOM 0 HA LYS A 48 27.294 7.995 -16.159 1.00 0.00 H new ATOM 0 HB2 LYS A 48 27.938 10.347 -16.394 1.00 0.00 H new ATOM 0 HB3 LYS A 48 28.758 10.316 -14.845 1.00 0.00 H new ATOM 0 HG2 LYS A 48 30.558 8.984 -15.692 1.00 0.00 H new ATOM 0 HG3 LYS A 48 29.658 8.515 -17.121 1.00 0.00 H new ATOM 0 HD2 LYS A 48 29.842 10.685 -18.111 1.00 0.00 H new ATOM 0 HD3 LYS A 48 30.214 11.456 -16.582 1.00 0.00 H new ATOM 0 HE2 LYS A 48 32.432 10.382 -16.524 1.00 0.00 H new ATOM 0 HE3 LYS A 48 32.063 9.462 -17.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 33.412 11.385 -18.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 31.889 11.535 -19.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 32.247 12.426 -17.810 1.00 0.00 H new ATOM 733 N TRP A 49 28.389 7.548 -13.129 1.00 0.00 N ATOM 734 CA TRP A 49 29.024 6.518 -12.309 1.00 0.00 C ATOM 735 C TRP A 49 28.276 5.178 -12.362 1.00 0.00 C ATOM 736 O TRP A 49 28.918 4.136 -12.217 1.00 0.00 O ATOM 737 CB TRP A 49 29.265 7.006 -10.869 1.00 0.00 C ATOM 738 CG TRP A 49 28.153 7.703 -10.133 1.00 0.00 C ATOM 739 CD1 TRP A 49 28.120 9.026 -9.852 1.00 0.00 C ATOM 740 CD2 TRP A 49 26.955 7.146 -9.504 1.00 0.00 C ATOM 741 NE1 TRP A 49 27.005 9.322 -9.095 1.00 0.00 N ATOM 742 CE2 TRP A 49 26.250 8.198 -8.843 1.00 0.00 C ATOM 743 CE3 TRP A 49 26.391 5.857 -9.415 1.00 0.00 C ATOM 744 CZ2 TRP A 49 25.052 7.979 -8.142 1.00 0.00 C ATOM 745 CZ3 TRP A 49 25.161 5.638 -8.768 1.00 0.00 C ATOM 746 CH2 TRP A 49 24.484 6.694 -8.136 1.00 0.00 C ATOM 0 H TRP A 49 27.970 8.312 -12.599 1.00 0.00 H new ATOM 0 HA TRP A 49 30.005 6.327 -12.745 1.00 0.00 H new ATOM 0 HB2 TRP A 49 29.560 6.141 -10.275 1.00 0.00 H new ATOM 0 HB3 TRP A 49 30.119 7.683 -10.891 1.00 0.00 H new ATOM 0 HD1 TRP A 49 28.859 9.745 -10.173 1.00 0.00 H new ATOM 0 HE1 TRP A 49 26.769 10.257 -8.763 1.00 0.00 H new ATOM 0 HE3 TRP A 49 26.914 5.020 -9.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 24.573 8.790 -7.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 24.733 4.647 -8.757 1.00 0.00 H new ATOM 0 HH2 TRP A 49 23.535 6.520 -7.650 1.00 0.00 H new ATOM 757 N ALA A 50 26.956 5.162 -12.596 1.00 0.00 N ATOM 758 CA ALA A 50 26.209 3.927 -12.777 1.00 0.00 C ATOM 759 C ALA A 50 26.319 3.491 -14.238 1.00 0.00 C ATOM 760 O ALA A 50 25.429 3.746 -15.050 1.00 0.00 O ATOM 761 CB ALA A 50 24.759 4.077 -12.321 1.00 0.00 C ATOM 0 H ALA A 50 26.386 6.005 -12.663 1.00 0.00 H new ATOM 0 HA ALA A 50 26.638 3.146 -12.149 1.00 0.00 H new ATOM 0 HB1 ALA A 50 24.231 3.135 -12.471 1.00 0.00 H new ATOM 0 HB2 ALA A 50 24.736 4.342 -11.264 1.00 0.00 H new ATOM 0 HB3 ALA A 50 24.274 4.861 -12.902 1.00 0.00 H new ATOM 767 N GLU A 51 27.419 2.819 -14.576 1.00 0.00 N ATOM 768 CA GLU A 51 27.632 2.240 -15.905 1.00 0.00 C ATOM 769 C GLU A 51 26.663 1.082 -16.201 1.00 0.00 C ATOM 770 O GLU A 51 26.678 0.543 -17.310 1.00 0.00 O ATOM 771 CB GLU A 51 29.092 1.781 -16.064 1.00 0.00 C ATOM 772 CG GLU A 51 30.080 2.946 -15.936 1.00 0.00 C ATOM 773 CD GLU A 51 31.498 2.542 -16.374 1.00 0.00 C ATOM 774 OE1 GLU A 51 32.283 2.037 -15.539 1.00 0.00 O ATOM 775 OE2 GLU A 51 31.855 2.742 -17.558 1.00 0.00 O ATOM 0 H GLU A 51 28.194 2.659 -13.932 1.00 0.00 H new ATOM 0 HA GLU A 51 27.425 3.023 -16.635 1.00 0.00 H new ATOM 0 HB2 GLU A 51 29.319 1.029 -15.309 1.00 0.00 H new ATOM 0 HB3 GLU A 51 29.218 1.305 -17.036 1.00 0.00 H new ATOM 0 HG2 GLU A 51 29.736 3.783 -16.544 1.00 0.00 H new ATOM 0 HG3 GLU A 51 30.103 3.291 -14.902 1.00 0.00 H new ATOM 782 N TYR A 52 25.825 0.685 -15.238 1.00 0.00 N ATOM 783 CA TYR A 52 24.803 -0.341 -15.369 1.00 0.00 C ATOM 784 C TYR A 52 23.638 0.033 -14.451 1.00 0.00 C ATOM 785 O TYR A 52 23.848 0.536 -13.345 1.00 0.00 O ATOM 786 CB TYR A 52 25.355 -1.744 -15.049 1.00 0.00 C ATOM 787 CG TYR A 52 26.495 -1.819 -14.046 1.00 0.00 C ATOM 788 CD1 TYR A 52 27.801 -1.504 -14.462 1.00 0.00 C ATOM 789 CD2 TYR A 52 26.261 -2.219 -12.718 1.00 0.00 C ATOM 790 CE1 TYR A 52 28.873 -1.573 -13.556 1.00 0.00 C ATOM 791 CE2 TYR A 52 27.328 -2.300 -11.805 1.00 0.00 C ATOM 792 CZ TYR A 52 28.641 -1.973 -12.220 1.00 0.00 C ATOM 793 OH TYR A 52 29.688 -2.042 -11.349 1.00 0.00 O ATOM 0 H TYR A 52 25.848 1.094 -14.304 1.00 0.00 H new ATOM 0 HA TYR A 52 24.459 -0.387 -16.402 1.00 0.00 H new ATOM 0 HB2 TYR A 52 24.533 -2.356 -14.676 1.00 0.00 H new ATOM 0 HB3 TYR A 52 25.692 -2.197 -15.981 1.00 0.00 H new ATOM 0 HD1 TYR A 52 27.981 -1.207 -15.485 1.00 0.00 H new ATOM 0 HD2 TYR A 52 25.259 -2.465 -12.398 1.00 0.00 H new ATOM 0 HE1 TYR A 52 29.872 -1.321 -13.880 1.00 0.00 H new ATOM 0 HE2 TYR A 52 27.145 -2.612 -10.787 1.00 0.00 H new ATOM 0 HH TYR A 52 29.364 -2.331 -10.470 1.00 0.00 H new ATOM 803 N HIS A 53 22.408 -0.231 -14.901 1.00 0.00 N ATOM 804 CA HIS A 53 21.167 0.153 -14.217 1.00 0.00 C ATOM 805 C HIS A 53 21.060 -0.486 -12.827 1.00 0.00 C ATOM 806 O HIS A 53 20.482 0.101 -11.911 1.00 0.00 O ATOM 807 CB HIS A 53 19.946 -0.246 -15.071 1.00 0.00 C ATOM 808 CG HIS A 53 20.122 0.002 -16.550 1.00 0.00 C ATOM 809 ND1 HIS A 53 19.862 1.169 -17.233 1.00 0.00 N ATOM 810 CD2 HIS A 53 20.667 -0.880 -17.446 1.00 0.00 C ATOM 811 CE1 HIS A 53 20.272 0.995 -18.503 1.00 0.00 C ATOM 812 NE2 HIS A 53 20.780 -0.238 -18.682 1.00 0.00 N ATOM 0 H HIS A 53 22.242 -0.731 -15.774 1.00 0.00 H new ATOM 0 HA HIS A 53 21.186 1.235 -14.086 1.00 0.00 H new ATOM 0 HB2 HIS A 53 19.736 -1.304 -14.913 1.00 0.00 H new ATOM 0 HB3 HIS A 53 19.075 0.308 -14.722 1.00 0.00 H new ATOM 0 HD1 HIS A 53 19.436 2.012 -16.847 1.00 0.00 H new ATOM 0 HD2 HIS A 53 20.959 -1.898 -17.233 1.00 0.00 H new ATOM 0 HE1 HIS A 53 20.202 1.746 -19.276 1.00 0.00 H new ATOM 820 N ALA A 54 21.636 -1.680 -12.653 1.00 0.00 N ATOM 821 CA ALA A 54 21.655 -2.361 -11.368 1.00 0.00 C ATOM 822 C ALA A 54 22.407 -1.553 -10.307 1.00 0.00 C ATOM 823 O ALA A 54 22.069 -1.656 -9.128 1.00 0.00 O ATOM 824 CB ALA A 54 22.268 -3.757 -11.525 1.00 0.00 C ATOM 0 H ALA A 54 22.099 -2.195 -13.402 1.00 0.00 H new ATOM 0 HA ALA A 54 20.625 -2.461 -11.024 1.00 0.00 H new ATOM 0 HB1 ALA A 54 22.279 -4.261 -10.558 1.00 0.00 H new ATOM 0 HB2 ALA A 54 21.674 -4.338 -12.230 1.00 0.00 H new ATOM 0 HB3 ALA A 54 23.288 -3.667 -11.898 1.00 0.00 H new ATOM 830 N ASP A 55 23.400 -0.743 -10.700 1.00 0.00 N ATOM 831 CA ASP A 55 24.194 0.024 -9.741 1.00 0.00 C ATOM 832 C ASP A 55 23.329 1.079 -9.056 1.00 0.00 C ATOM 833 O ASP A 55 23.308 1.162 -7.828 1.00 0.00 O ATOM 834 CB ASP A 55 25.383 0.713 -10.417 1.00 0.00 C ATOM 835 CG ASP A 55 26.366 1.222 -9.353 1.00 0.00 C ATOM 836 OD1 ASP A 55 27.080 0.393 -8.743 1.00 0.00 O ATOM 837 OD2 ASP A 55 26.441 2.448 -9.137 1.00 0.00 O ATOM 0 H ASP A 55 23.669 -0.605 -11.674 1.00 0.00 H new ATOM 0 HA ASP A 55 24.574 -0.680 -9.001 1.00 0.00 H new ATOM 0 HB2 ASP A 55 25.887 0.015 -11.086 1.00 0.00 H new ATOM 0 HB3 ASP A 55 25.033 1.544 -11.029 1.00 0.00 H new ATOM 842 N ILE A 56 22.563 1.842 -9.849 1.00 0.00 N ATOM 843 CA ILE A 56 21.630 2.832 -9.327 1.00 0.00 C ATOM 844 C ILE A 56 20.492 2.143 -8.585 1.00 0.00 C ATOM 845 O ILE A 56 20.132 2.629 -7.517 1.00 0.00 O ATOM 846 CB ILE A 56 21.082 3.825 -10.391 1.00 0.00 C ATOM 847 CG1 ILE A 56 21.087 3.310 -11.853 1.00 0.00 C ATOM 848 CG2 ILE A 56 21.772 5.182 -10.199 1.00 0.00 C ATOM 849 CD1 ILE A 56 20.902 4.377 -12.932 1.00 0.00 C ATOM 0 H ILE A 56 22.578 1.785 -10.867 1.00 0.00 H new ATOM 0 HA ILE A 56 22.203 3.448 -8.634 1.00 0.00 H new ATOM 0 HB ILE A 56 20.013 3.940 -10.213 1.00 0.00 H new ATOM 0 HG12 ILE A 56 22.031 2.796 -12.034 1.00 0.00 H new ATOM 0 HG13 ILE A 56 20.295 2.569 -11.961 1.00 0.00 H new ATOM 0 HG21 ILE A 56 21.397 5.889 -10.939 1.00 0.00 H new ATOM 0 HG22 ILE A 56 21.561 5.559 -9.198 1.00 0.00 H new ATOM 0 HG23 ILE A 56 22.848 5.064 -10.323 1.00 0.00 H new ATOM 0 HD11 ILE A 56 20.921 3.907 -13.915 1.00 0.00 H new ATOM 0 HD12 ILE A 56 19.945 4.878 -12.788 1.00 0.00 H new ATOM 0 HD13 ILE A 56 21.708 5.108 -12.863 1.00 0.00 H new ATOM 861 N TYR A 57 19.939 1.031 -9.086 1.00 0.00 N ATOM 862 CA TYR A 57 18.854 0.367 -8.370 1.00 0.00 C ATOM 863 C TYR A 57 19.313 -0.043 -6.967 1.00 0.00 C ATOM 864 O TYR A 57 18.615 0.250 -5.995 1.00 0.00 O ATOM 865 CB TYR A 57 18.313 -0.842 -9.145 1.00 0.00 C ATOM 866 CG TYR A 57 17.279 -1.625 -8.350 1.00 0.00 C ATOM 867 CD1 TYR A 57 16.124 -0.980 -7.862 1.00 0.00 C ATOM 868 CD2 TYR A 57 17.519 -2.970 -8.009 1.00 0.00 C ATOM 869 CE1 TYR A 57 15.231 -1.663 -7.019 1.00 0.00 C ATOM 870 CE2 TYR A 57 16.620 -3.665 -7.181 1.00 0.00 C ATOM 871 CZ TYR A 57 15.479 -3.009 -6.664 1.00 0.00 C ATOM 872 OH TYR A 57 14.648 -3.681 -5.816 1.00 0.00 O ATOM 0 H TYR A 57 20.218 0.586 -9.960 1.00 0.00 H new ATOM 0 HA TYR A 57 18.035 1.080 -8.275 1.00 0.00 H new ATOM 0 HB2 TYR A 57 17.867 -0.501 -10.079 1.00 0.00 H new ATOM 0 HB3 TYR A 57 19.140 -1.501 -9.408 1.00 0.00 H new ATOM 0 HD1 TYR A 57 15.925 0.045 -8.138 1.00 0.00 H new ATOM 0 HD2 TYR A 57 18.399 -3.471 -8.386 1.00 0.00 H new ATOM 0 HE1 TYR A 57 14.354 -1.159 -6.642 1.00 0.00 H new ATOM 0 HE2 TYR A 57 16.801 -4.702 -6.939 1.00 0.00 H new ATOM 0 HH TYR A 57 13.965 -3.068 -5.473 1.00 0.00 H new ATOM 882 N ASP A 58 20.490 -0.662 -6.843 1.00 0.00 N ATOM 883 CA ASP A 58 21.018 -1.097 -5.554 1.00 0.00 C ATOM 884 C ASP A 58 21.311 0.095 -4.642 1.00 0.00 C ATOM 885 O ASP A 58 20.855 0.122 -3.498 1.00 0.00 O ATOM 886 CB ASP A 58 22.288 -1.931 -5.749 1.00 0.00 C ATOM 887 CG ASP A 58 22.888 -2.325 -4.389 1.00 0.00 C ATOM 888 OD1 ASP A 58 22.351 -3.245 -3.732 1.00 0.00 O ATOM 889 OD2 ASP A 58 23.911 -1.734 -3.979 1.00 0.00 O ATOM 0 H ASP A 58 21.100 -0.874 -7.633 1.00 0.00 H new ATOM 0 HA ASP A 58 20.257 -1.713 -5.075 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.057 -2.827 -6.324 1.00 0.00 H new ATOM 0 HB3 ASP A 58 23.019 -1.363 -6.324 1.00 0.00 H new ATOM 894 N LYS A 59 22.029 1.104 -5.151 1.00 0.00 N ATOM 895 CA LYS A 59 22.399 2.295 -4.387 1.00 0.00 C ATOM 896 C LYS A 59 21.158 3.017 -3.873 1.00 0.00 C ATOM 897 O LYS A 59 21.068 3.338 -2.687 1.00 0.00 O ATOM 898 CB LYS A 59 23.276 3.192 -5.276 1.00 0.00 C ATOM 899 CG LYS A 59 23.579 4.576 -4.674 1.00 0.00 C ATOM 900 CD LYS A 59 25.005 5.010 -5.032 1.00 0.00 C ATOM 901 CE LYS A 59 25.249 6.476 -4.647 1.00 0.00 C ATOM 902 NZ LYS A 59 26.632 6.916 -4.962 1.00 0.00 N ATOM 0 H LYS A 59 22.371 1.114 -6.112 1.00 0.00 H new ATOM 0 HA LYS A 59 22.973 2.015 -3.504 1.00 0.00 H new ATOM 0 HB2 LYS A 59 24.218 2.680 -5.472 1.00 0.00 H new ATOM 0 HB3 LYS A 59 22.780 3.327 -6.237 1.00 0.00 H new ATOM 0 HG2 LYS A 59 22.864 5.308 -5.049 1.00 0.00 H new ATOM 0 HG3 LYS A 59 23.463 4.543 -3.591 1.00 0.00 H new ATOM 0 HD2 LYS A 59 25.723 4.371 -4.518 1.00 0.00 H new ATOM 0 HD3 LYS A 59 25.171 4.879 -6.101 1.00 0.00 H new ATOM 0 HE2 LYS A 59 24.538 7.112 -5.175 1.00 0.00 H new ATOM 0 HE3 LYS A 59 25.062 6.606 -3.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 26.751 7.911 -4.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 27.311 6.327 -4.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 26.804 6.818 -5.983 1.00 0.00 H new ATOM 916 N VAL A 60 20.198 3.269 -4.756 1.00 0.00 N ATOM 917 CA VAL A 60 19.042 4.085 -4.440 1.00 0.00 C ATOM 918 C VAL A 60 18.106 3.296 -3.533 1.00 0.00 C ATOM 919 O VAL A 60 17.639 3.858 -2.547 1.00 0.00 O ATOM 920 CB VAL A 60 18.392 4.609 -5.727 1.00 0.00 C ATOM 921 CG1 VAL A 60 17.152 5.452 -5.384 1.00 0.00 C ATOM 922 CG2 VAL A 60 19.414 5.461 -6.512 1.00 0.00 C ATOM 0 H VAL A 60 20.204 2.911 -5.711 1.00 0.00 H new ATOM 0 HA VAL A 60 19.332 4.976 -3.883 1.00 0.00 H new ATOM 0 HB VAL A 60 18.081 3.765 -6.343 1.00 0.00 H new ATOM 0 HG11 VAL A 60 16.697 5.820 -6.303 1.00 0.00 H new ATOM 0 HG12 VAL A 60 16.432 4.837 -4.843 1.00 0.00 H new ATOM 0 HG13 VAL A 60 17.447 6.297 -4.762 1.00 0.00 H new ATOM 0 HG21 VAL A 60 18.952 5.833 -7.426 1.00 0.00 H new ATOM 0 HG22 VAL A 60 19.733 6.303 -5.898 1.00 0.00 H new ATOM 0 HG23 VAL A 60 20.279 4.849 -6.766 1.00 0.00 H new ATOM 932 N SER A 61 17.887 2.001 -3.776 1.00 0.00 N ATOM 933 CA SER A 61 17.104 1.190 -2.851 1.00 0.00 C ATOM 934 C SER A 61 17.780 1.118 -1.483 1.00 0.00 C ATOM 935 O SER A 61 17.077 1.009 -0.482 1.00 0.00 O ATOM 936 CB SER A 61 16.866 -0.212 -3.410 1.00 0.00 C ATOM 937 OG SER A 61 16.261 -0.108 -4.677 1.00 0.00 O ATOM 0 H SER A 61 18.236 1.501 -4.594 1.00 0.00 H new ATOM 0 HA SER A 61 16.134 1.671 -2.728 1.00 0.00 H new ATOM 0 HB2 SER A 61 17.810 -0.751 -3.488 1.00 0.00 H new ATOM 0 HB3 SER A 61 16.228 -0.782 -2.735 1.00 0.00 H new ATOM 0 HG SER A 61 16.949 0.051 -5.356 1.00 0.00 H new ATOM 943 N GLY A 62 19.112 1.199 -1.408 1.00 0.00 N ATOM 944 CA GLY A 62 19.833 1.312 -0.151 1.00 0.00 C ATOM 945 C GLY A 62 19.440 2.591 0.583 1.00 0.00 C ATOM 946 O GLY A 62 19.062 2.526 1.753 1.00 0.00 O ATOM 0 H GLY A 62 19.718 1.187 -2.228 1.00 0.00 H new ATOM 0 HA2 GLY A 62 19.619 0.446 0.476 1.00 0.00 H new ATOM 0 HA3 GLY A 62 20.906 1.311 -0.340 1.00 0.00 H new ATOM 950 N ASP A 63 19.466 3.744 -0.097 1.00 0.00 N ATOM 951 CA ASP A 63 19.080 5.016 0.514 1.00 0.00 C ATOM 952 C ASP A 63 17.614 4.992 0.939 1.00 0.00 C ATOM 953 O ASP A 63 17.302 5.309 2.085 1.00 0.00 O ATOM 954 CB ASP A 63 19.329 6.210 -0.415 1.00 0.00 C ATOM 955 CG ASP A 63 19.067 7.526 0.341 1.00 0.00 C ATOM 956 OD1 ASP A 63 17.907 7.989 0.399 1.00 0.00 O ATOM 957 OD2 ASP A 63 20.040 8.093 0.890 1.00 0.00 O ATOM 0 H ASP A 63 19.752 3.819 -1.073 1.00 0.00 H new ATOM 0 HA ASP A 63 19.711 5.142 1.394 1.00 0.00 H new ATOM 0 HB2 ASP A 63 20.355 6.189 -0.781 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.678 6.146 -1.287 1.00 0.00 H new ATOM 962 N MET A 64 16.714 4.546 0.059 1.00 0.00 N ATOM 963 CA MET A 64 15.297 4.452 0.384 1.00 0.00 C ATOM 964 C MET A 64 15.062 3.537 1.592 1.00 0.00 C ATOM 965 O MET A 64 14.307 3.900 2.492 1.00 0.00 O ATOM 966 CB MET A 64 14.515 3.949 -0.834 1.00 0.00 C ATOM 967 CG MET A 64 14.539 4.856 -2.072 1.00 0.00 C ATOM 968 SD MET A 64 13.784 6.488 -1.851 1.00 0.00 S ATOM 969 CE MET A 64 15.271 7.458 -1.513 1.00 0.00 C ATOM 0 H MET A 64 16.947 4.244 -0.887 1.00 0.00 H new ATOM 0 HA MET A 64 14.940 5.447 0.650 1.00 0.00 H new ATOM 0 HB2 MET A 64 14.909 2.973 -1.116 1.00 0.00 H new ATOM 0 HB3 MET A 64 13.477 3.800 -0.538 1.00 0.00 H new ATOM 0 HG2 MET A 64 15.575 4.992 -2.382 1.00 0.00 H new ATOM 0 HG3 MET A 64 14.027 4.344 -2.887 1.00 0.00 H new ATOM 0 HE1 MET A 64 14.987 8.466 -1.211 1.00 0.00 H new ATOM 0 HE2 MET A 64 15.839 6.985 -0.712 1.00 0.00 H new ATOM 0 HE3 MET A 64 15.885 7.508 -2.412 1.00 0.00 H new ATOM 979 N GLN A 65 15.715 2.374 1.669 1.00 0.00 N ATOM 980 CA GLN A 65 15.570 1.462 2.796 1.00 0.00 C ATOM 981 C GLN A 65 16.185 2.034 4.077 1.00 0.00 C ATOM 982 O GLN A 65 15.662 1.766 5.158 1.00 0.00 O ATOM 983 CB GLN A 65 16.219 0.114 2.458 1.00 0.00 C ATOM 984 CG GLN A 65 15.324 -0.773 1.580 1.00 0.00 C ATOM 985 CD GLN A 65 16.075 -2.004 1.077 1.00 0.00 C ATOM 986 OE1 GLN A 65 15.845 -3.128 1.519 1.00 0.00 O ATOM 987 NE2 GLN A 65 16.997 -1.814 0.149 1.00 0.00 N ATOM 0 H GLN A 65 16.358 2.043 0.950 1.00 0.00 H new ATOM 0 HA GLN A 65 14.504 1.323 2.978 1.00 0.00 H new ATOM 0 HB2 GLN A 65 17.164 0.289 1.945 1.00 0.00 H new ATOM 0 HB3 GLN A 65 16.451 -0.414 3.383 1.00 0.00 H new ATOM 0 HG2 GLN A 65 14.450 -1.087 2.150 1.00 0.00 H new ATOM 0 HG3 GLN A 65 14.960 -0.196 0.730 1.00 0.00 H new ATOM 0 HE21 GLN A 65 17.176 -0.875 -0.207 1.00 0.00 H new ATOM 0 HE22 GLN A 65 17.529 -2.606 -0.211 1.00 0.00 H new ATOM 996 N LYS A 66 17.251 2.839 3.992 1.00 0.00 N ATOM 997 CA LYS A 66 17.769 3.586 5.134 1.00 0.00 C ATOM 998 C LYS A 66 16.698 4.552 5.642 1.00 0.00 C ATOM 999 O LYS A 66 16.491 4.617 6.853 1.00 0.00 O ATOM 1000 CB LYS A 66 19.074 4.281 4.716 1.00 0.00 C ATOM 1001 CG LYS A 66 19.626 5.313 5.715 1.00 0.00 C ATOM 1002 CD LYS A 66 20.772 6.118 5.083 1.00 0.00 C ATOM 1003 CE LYS A 66 20.247 7.070 3.993 1.00 0.00 C ATOM 1004 NZ LYS A 66 21.325 7.834 3.323 1.00 0.00 N ATOM 0 H LYS A 66 17.775 2.988 3.129 1.00 0.00 H new ATOM 0 HA LYS A 66 18.007 2.925 5.968 1.00 0.00 H new ATOM 0 HB2 LYS A 66 19.835 3.518 4.552 1.00 0.00 H new ATOM 0 HB3 LYS A 66 18.910 4.779 3.760 1.00 0.00 H new ATOM 0 HG2 LYS A 66 18.829 5.988 6.027 1.00 0.00 H new ATOM 0 HG3 LYS A 66 19.982 4.805 6.611 1.00 0.00 H new ATOM 0 HD2 LYS A 66 21.286 6.692 5.854 1.00 0.00 H new ATOM 0 HD3 LYS A 66 21.505 5.436 4.652 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.701 6.493 3.247 1.00 0.00 H new ATOM 0 HE3 LYS A 66 19.538 7.768 4.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 21.100 7.938 2.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 21.406 8.775 3.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 22.226 7.326 3.426 1.00 0.00 H new ATOM 1018 N GLN A 67 15.985 5.270 4.762 1.00 0.00 N ATOM 1019 CA GLN A 67 14.842 6.084 5.189 1.00 0.00 C ATOM 1020 C GLN A 67 13.785 5.183 5.840 1.00 0.00 C ATOM 1021 O GLN A 67 13.278 5.511 6.913 1.00 0.00 O ATOM 1022 CB GLN A 67 14.285 6.933 4.029 1.00 0.00 C ATOM 1023 CG GLN A 67 15.360 7.860 3.426 1.00 0.00 C ATOM 1024 CD GLN A 67 14.811 8.894 2.440 1.00 0.00 C ATOM 1025 OE1 GLN A 67 13.764 9.498 2.655 1.00 0.00 O ATOM 1026 NE2 GLN A 67 15.513 9.153 1.346 1.00 0.00 N ATOM 0 H GLN A 67 16.178 5.303 3.761 1.00 0.00 H new ATOM 0 HA GLN A 67 15.171 6.802 5.940 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.896 6.275 3.252 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.448 7.533 4.387 1.00 0.00 H new ATOM 0 HG2 GLN A 67 15.871 8.381 4.236 1.00 0.00 H new ATOM 0 HG3 GLN A 67 16.107 7.250 2.918 1.00 0.00 H new ATOM 0 HE21 GLN A 67 16.383 8.651 1.167 1.00 0.00 H new ATOM 0 HE22 GLN A 67 15.183 9.854 0.683 1.00 0.00 H new ATOM 1035 N GLY A 68 13.519 4.021 5.241 1.00 0.00 N ATOM 1036 CA GLY A 68 12.714 2.926 5.789 1.00 0.00 C ATOM 1037 C GLY A 68 11.893 2.185 4.724 1.00 0.00 C ATOM 1038 O GLY A 68 11.255 1.178 5.028 1.00 0.00 O ATOM 0 H GLY A 68 13.878 3.806 4.311 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.372 2.216 6.290 1.00 0.00 H new ATOM 0 HA3 GLY A 68 12.039 3.324 6.546 1.00 0.00 H new ATOM 1042 N CYS A 69 11.887 2.697 3.492 1.00 0.00 N ATOM 1043 CA CYS A 69 11.023 2.288 2.396 1.00 0.00 C ATOM 1044 C CYS A 69 11.316 0.868 1.892 1.00 0.00 C ATOM 1045 O CYS A 69 12.290 0.230 2.289 1.00 0.00 O ATOM 1046 CB CYS A 69 11.242 3.275 1.248 1.00 0.00 C ATOM 1047 SG CYS A 69 10.940 4.987 1.776 1.00 0.00 S ATOM 0 H CYS A 69 12.522 3.449 3.223 1.00 0.00 H new ATOM 0 HA CYS A 69 9.994 2.286 2.756 1.00 0.00 H new ATOM 0 HB2 CYS A 69 12.263 3.182 0.877 1.00 0.00 H new ATOM 0 HB3 CYS A 69 10.578 3.026 0.421 1.00 0.00 H new ATOM 0 HG CYS A 69 11.339 5.804 0.847 1.00 0.00 H new ATOM 1053 N ASP A 70 10.504 0.419 0.935 1.00 0.00 N ATOM 1054 CA ASP A 70 10.706 -0.791 0.140 1.00 0.00 C ATOM 1055 C ASP A 70 10.525 -0.342 -1.310 1.00 0.00 C ATOM 1056 O ASP A 70 9.683 0.532 -1.563 1.00 0.00 O ATOM 1057 CB ASP A 70 9.704 -1.880 0.530 1.00 0.00 C ATOM 1058 CG ASP A 70 9.949 -3.153 -0.294 1.00 0.00 C ATOM 1059 OD1 ASP A 70 10.938 -3.870 -0.019 1.00 0.00 O ATOM 1060 OD2 ASP A 70 9.154 -3.453 -1.210 1.00 0.00 O ATOM 0 H ASP A 70 9.648 0.912 0.682 1.00 0.00 H new ATOM 0 HA ASP A 70 11.689 -1.233 0.302 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.796 -2.104 1.593 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.687 -1.523 0.366 1.00 0.00 H new ATOM 1065 N CYS A 71 11.335 -0.847 -2.247 1.00 0.00 N ATOM 1066 CA CYS A 71 11.394 -0.309 -3.606 1.00 0.00 C ATOM 1067 C CYS A 71 11.669 -1.379 -4.664 1.00 0.00 C ATOM 1068 O CYS A 71 12.167 -2.462 -4.348 1.00 0.00 O ATOM 1069 CB CYS A 71 12.514 0.740 -3.688 1.00 0.00 C ATOM 1070 SG CYS A 71 12.332 2.023 -2.420 1.00 0.00 S ATOM 0 H CYS A 71 11.963 -1.634 -2.084 1.00 0.00 H new ATOM 0 HA CYS A 71 10.416 0.124 -3.813 1.00 0.00 H new ATOM 0 HB2 CYS A 71 13.480 0.249 -3.572 1.00 0.00 H new ATOM 0 HB3 CYS A 71 12.508 1.202 -4.675 1.00 0.00 H new ATOM 0 HG CYS A 71 12.967 1.663 -1.344 1.00 0.00 H new ATOM 1076 N GLU A 72 11.403 -1.053 -5.934 1.00 0.00 N ATOM 1077 CA GLU A 72 11.534 -1.967 -7.060 1.00 0.00 C ATOM 1078 C GLU A 72 11.798 -1.144 -8.323 1.00 0.00 C ATOM 1079 O GLU A 72 11.063 -0.196 -8.599 1.00 0.00 O ATOM 1080 CB GLU A 72 10.228 -2.777 -7.173 1.00 0.00 C ATOM 1081 CG GLU A 72 10.190 -3.637 -8.439 1.00 0.00 C ATOM 1082 CD GLU A 72 9.042 -4.667 -8.441 1.00 0.00 C ATOM 1083 OE1 GLU A 72 7.895 -4.337 -8.064 1.00 0.00 O ATOM 1084 OE2 GLU A 72 9.271 -5.828 -8.851 1.00 0.00 O ATOM 0 H GLU A 72 11.084 -0.124 -6.207 1.00 0.00 H new ATOM 0 HA GLU A 72 12.364 -2.661 -6.924 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.122 -3.417 -6.297 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.378 -2.095 -7.173 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.088 -2.988 -9.308 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.140 -4.161 -8.543 1.00 0.00 H new ATOM 1091 N CYS A 73 12.840 -1.482 -9.090 1.00 0.00 N ATOM 1092 CA CYS A 73 13.055 -0.919 -10.416 1.00 0.00 C ATOM 1093 C CYS A 73 11.919 -1.425 -11.316 1.00 0.00 C ATOM 1094 O CYS A 73 11.784 -2.630 -11.542 1.00 0.00 O ATOM 1095 CB CYS A 73 14.453 -1.285 -10.953 1.00 0.00 C ATOM 1096 SG CYS A 73 14.859 -3.035 -10.658 1.00 0.00 S ATOM 0 H CYS A 73 13.554 -2.153 -8.805 1.00 0.00 H new ATOM 0 HA CYS A 73 13.033 0.170 -10.388 1.00 0.00 H new ATOM 0 HB2 CYS A 73 14.496 -1.078 -12.022 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.202 -0.653 -10.475 1.00 0.00 H new ATOM 0 HG CYS A 73 15.733 -3.431 -11.535 1.00 0.00 H new ATOM 1102 N LEU A 74 11.084 -0.516 -11.825 1.00 0.00 N ATOM 1103 CA LEU A 74 10.062 -0.868 -12.807 1.00 0.00 C ATOM 1104 C LEU A 74 10.717 -1.209 -14.148 1.00 0.00 C ATOM 1105 O LEU A 74 10.180 -2.004 -14.919 1.00 0.00 O ATOM 1106 CB LEU A 74 9.070 0.287 -13.000 1.00 0.00 C ATOM 1107 CG LEU A 74 8.238 0.663 -11.759 1.00 0.00 C ATOM 1108 CD1 LEU A 74 7.158 1.655 -12.193 1.00 0.00 C ATOM 1109 CD2 LEU A 74 7.571 -0.541 -11.080 1.00 0.00 C ATOM 0 H LEU A 74 11.098 0.472 -11.571 1.00 0.00 H new ATOM 0 HA LEU A 74 9.519 -1.737 -12.436 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.624 1.168 -13.325 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.387 0.025 -13.808 1.00 0.00 H new ATOM 0 HG LEU A 74 8.919 1.094 -11.025 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.555 1.937 -11.330 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.628 2.544 -12.613 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.520 1.192 -12.946 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.002 -0.202 -10.214 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.900 -1.031 -11.786 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.336 -1.247 -10.757 1.00 0.00 H new ATOM 1121 N GLY A 75 11.875 -0.608 -14.418 1.00 0.00 N ATOM 1122 CA GLY A 75 12.673 -0.795 -15.610 1.00 0.00 C ATOM 1123 C GLY A 75 13.779 0.250 -15.595 1.00 0.00 C ATOM 1124 O GLY A 75 13.959 0.965 -14.602 1.00 0.00 O ATOM 0 H GLY A 75 12.297 0.057 -13.770 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.096 -1.799 -15.633 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.057 -0.688 -16.503 1.00 0.00 H new ATOM 1128 N GLY A 76 14.489 0.387 -16.708 1.00 0.00 N ATOM 1129 CA GLY A 76 15.448 1.462 -16.896 1.00 0.00 C ATOM 1130 C GLY A 76 15.690 1.689 -18.377 1.00 0.00 C ATOM 1131 O GLY A 76 14.960 1.158 -19.219 1.00 0.00 O ATOM 0 H GLY A 76 14.414 -0.246 -17.505 1.00 0.00 H new ATOM 0 HA2 GLY A 76 15.076 2.377 -16.436 1.00 0.00 H new ATOM 0 HA3 GLY A 76 16.386 1.214 -16.400 1.00 0.00 H new ATOM 1135 N GLY A 77 16.718 2.474 -18.683 1.00 0.00 N ATOM 1136 CA GLY A 77 17.052 2.891 -20.031 1.00 0.00 C ATOM 1137 C GLY A 77 18.286 3.780 -19.989 1.00 0.00 C ATOM 1138 O GLY A 77 19.022 3.797 -18.995 1.00 0.00 O ATOM 0 H GLY A 77 17.356 2.845 -17.978 1.00 0.00 H new ATOM 0 HA2 GLY A 77 17.238 2.019 -20.658 1.00 0.00 H new ATOM 0 HA3 GLY A 77 16.216 3.430 -20.475 1.00 0.00 H new ATOM 1142 N ARG A 78 18.503 4.549 -21.049 1.00 0.00 N ATOM 1143 CA ARG A 78 19.645 5.438 -21.201 1.00 0.00 C ATOM 1144 C ARG A 78 19.122 6.858 -21.395 1.00 0.00 C ATOM 1145 O ARG A 78 17.996 7.054 -21.862 1.00 0.00 O ATOM 1146 CB ARG A 78 20.516 4.897 -22.352 1.00 0.00 C ATOM 1147 CG ARG A 78 21.817 5.681 -22.583 1.00 0.00 C ATOM 1148 CD ARG A 78 22.854 4.907 -23.408 1.00 0.00 C ATOM 1149 NE ARG A 78 22.374 4.493 -24.741 1.00 0.00 N ATOM 1150 CZ ARG A 78 23.140 4.295 -25.821 1.00 0.00 C ATOM 1151 NH1 ARG A 78 24.456 4.503 -25.790 1.00 0.00 N ATOM 1152 NH2 ARG A 78 22.563 3.864 -26.932 1.00 0.00 N ATOM 0 H ARG A 78 17.870 4.571 -21.849 1.00 0.00 H new ATOM 0 HA ARG A 78 20.288 5.474 -20.322 1.00 0.00 H new ATOM 0 HB2 ARG A 78 20.765 3.856 -22.145 1.00 0.00 H new ATOM 0 HB3 ARG A 78 19.931 4.908 -23.271 1.00 0.00 H new ATOM 0 HG2 ARG A 78 21.584 6.617 -23.091 1.00 0.00 H new ATOM 0 HG3 ARG A 78 22.252 5.942 -21.618 1.00 0.00 H new ATOM 0 HD2 ARG A 78 23.742 5.527 -23.530 1.00 0.00 H new ATOM 0 HD3 ARG A 78 23.158 4.021 -22.851 1.00 0.00 H new ATOM 0 HE ARG A 78 21.371 4.345 -24.849 1.00 0.00 H new ATOM 0 HH11 ARG A 78 24.902 4.820 -24.929 1.00 0.00 H new ATOM 0 HH12 ARG A 78 25.017 4.345 -26.627 1.00 0.00 H new ATOM 0 HH21 ARG A 78 21.558 3.691 -26.951 1.00 0.00 H new ATOM 0 HH22 ARG A 78 23.124 3.705 -27.769 1.00 0.00 H new ATOM 1166 N ILE A 79 19.928 7.844 -21.019 1.00 0.00 N ATOM 1167 CA ILE A 79 19.617 9.258 -21.121 1.00 0.00 C ATOM 1168 C ILE A 79 20.764 9.876 -21.913 1.00 0.00 C ATOM 1169 O ILE A 79 21.934 9.585 -21.645 1.00 0.00 O ATOM 1170 CB ILE A 79 19.432 9.873 -19.711 1.00 0.00 C ATOM 1171 CG1 ILE A 79 18.124 9.337 -19.085 1.00 0.00 C ATOM 1172 CG2 ILE A 79 19.380 11.410 -19.776 1.00 0.00 C ATOM 1173 CD1 ILE A 79 17.778 9.896 -17.697 1.00 0.00 C ATOM 0 H ILE A 79 20.850 7.670 -20.620 1.00 0.00 H new ATOM 0 HA ILE A 79 18.674 9.449 -21.634 1.00 0.00 H new ATOM 0 HB ILE A 79 20.286 9.587 -19.097 1.00 0.00 H new ATOM 0 HG12 ILE A 79 17.300 9.559 -19.763 1.00 0.00 H new ATOM 0 HG13 ILE A 79 18.194 8.252 -19.013 1.00 0.00 H new ATOM 0 HG21 ILE A 79 19.250 11.812 -18.771 1.00 0.00 H new ATOM 0 HG22 ILE A 79 20.310 11.788 -20.200 1.00 0.00 H new ATOM 0 HG23 ILE A 79 18.543 11.720 -20.402 1.00 0.00 H new ATOM 0 HD11 ILE A 79 16.843 9.455 -17.350 1.00 0.00 H new ATOM 0 HD12 ILE A 79 18.577 9.651 -16.997 1.00 0.00 H new ATOM 0 HD13 ILE A 79 17.668 10.979 -17.758 1.00 0.00 H new ATOM 1185 N SER A 80 20.418 10.730 -22.876 1.00 0.00 N ATOM 1186 CA SER A 80 21.360 11.290 -23.827 1.00 0.00 C ATOM 1187 C SER A 80 20.988 12.736 -24.138 1.00 0.00 C ATOM 1188 O SER A 80 19.919 13.002 -24.695 1.00 0.00 O ATOM 1189 CB SER A 80 21.343 10.458 -25.120 1.00 0.00 C ATOM 1190 OG SER A 80 21.682 9.105 -24.875 1.00 0.00 O ATOM 0 H SER A 80 19.460 11.053 -23.014 1.00 0.00 H new ATOM 0 HA SER A 80 22.361 11.267 -23.396 1.00 0.00 H new ATOM 0 HB2 SER A 80 20.353 10.509 -25.573 1.00 0.00 H new ATOM 0 HB3 SER A 80 22.044 10.885 -25.837 1.00 0.00 H new ATOM 0 HG SER A 80 20.948 8.526 -25.169 1.00 0.00 H new ATOM 1196 N HIS A 81 21.845 13.675 -23.741 1.00 0.00 N ATOM 1197 CA HIS A 81 21.758 15.064 -24.175 1.00 0.00 C ATOM 1198 C HIS A 81 22.420 15.074 -25.560 1.00 0.00 C ATOM 1199 O HIS A 81 23.485 14.476 -25.740 1.00 0.00 O ATOM 1200 CB HIS A 81 22.438 15.985 -23.141 1.00 0.00 C ATOM 1201 CG HIS A 81 23.191 17.166 -23.704 1.00 0.00 C ATOM 1202 ND1 HIS A 81 22.703 18.158 -24.530 1.00 0.00 N ATOM 1203 CD2 HIS A 81 24.516 17.438 -23.486 1.00 0.00 C ATOM 1204 CE1 HIS A 81 23.718 18.991 -24.817 1.00 0.00 C ATOM 1205 NE2 HIS A 81 24.848 18.597 -24.200 1.00 0.00 N ATOM 0 H HIS A 81 22.622 13.491 -23.106 1.00 0.00 H new ATOM 0 HA HIS A 81 20.740 15.446 -24.247 1.00 0.00 H new ATOM 0 HB2 HIS A 81 21.675 16.358 -22.458 1.00 0.00 H new ATOM 0 HB3 HIS A 81 23.130 15.386 -22.549 1.00 0.00 H new ATOM 0 HD2 HIS A 81 25.188 16.859 -22.870 1.00 0.00 H new ATOM 0 HE1 HIS A 81 23.638 19.858 -25.456 1.00 0.00 H new ATOM 0 HE2 HIS A 81 25.761 19.050 -24.244 1.00 0.00 H new ATOM 1213 N GLN A 82 21.782 15.710 -26.545 1.00 0.00 N ATOM 1214 CA GLN A 82 22.184 15.646 -27.948 1.00 0.00 C ATOM 1215 C GLN A 82 22.546 17.064 -28.390 1.00 0.00 C ATOM 1216 O GLN A 82 21.810 18.003 -28.115 1.00 0.00 O ATOM 1217 CB GLN A 82 21.043 15.018 -28.765 1.00 0.00 C ATOM 1218 CG GLN A 82 20.908 13.513 -28.472 1.00 0.00 C ATOM 1219 CD GLN A 82 19.729 12.901 -29.225 1.00 0.00 C ATOM 1220 OE1 GLN A 82 19.736 12.791 -30.448 1.00 0.00 O ATOM 1221 NE2 GLN A 82 18.686 12.498 -28.515 1.00 0.00 N ATOM 0 H GLN A 82 20.960 16.292 -26.386 1.00 0.00 H new ATOM 0 HA GLN A 82 23.059 15.015 -28.105 1.00 0.00 H new ATOM 0 HB2 GLN A 82 20.105 15.522 -28.531 1.00 0.00 H new ATOM 0 HB3 GLN A 82 21.229 15.168 -29.828 1.00 0.00 H new ATOM 0 HG2 GLN A 82 21.828 13.002 -28.756 1.00 0.00 H new ATOM 0 HG3 GLN A 82 20.776 13.360 -27.401 1.00 0.00 H new ATOM 0 HE21 GLN A 82 18.692 12.595 -27.500 1.00 0.00 H new ATOM 0 HE22 GLN A 82 17.877 12.091 -28.984 1.00 0.00 H new ATOM 1230 N SER A 83 23.678 17.233 -29.072 1.00 0.00 N ATOM 1231 CA SER A 83 24.263 18.545 -29.345 1.00 0.00 C ATOM 1232 C SER A 83 23.379 19.518 -30.143 1.00 0.00 C ATOM 1233 O SER A 83 23.523 20.732 -29.975 1.00 0.00 O ATOM 1234 CB SER A 83 25.618 18.341 -30.037 1.00 0.00 C ATOM 1235 OG SER A 83 26.371 17.316 -29.395 1.00 0.00 O ATOM 0 H SER A 83 24.219 16.457 -29.454 1.00 0.00 H new ATOM 0 HA SER A 83 24.377 19.036 -28.378 1.00 0.00 H new ATOM 0 HB2 SER A 83 25.460 18.080 -31.083 1.00 0.00 H new ATOM 0 HB3 SER A 83 26.181 19.274 -30.023 1.00 0.00 H new ATOM 0 HG SER A 83 27.229 17.204 -29.855 1.00 0.00 H new ATOM 1241 N GLN A 84 22.485 19.026 -31.009 1.00 0.00 N ATOM 1242 CA GLN A 84 21.706 19.887 -31.907 1.00 0.00 C ATOM 1243 C GLN A 84 20.649 20.733 -31.177 1.00 0.00 C ATOM 1244 O GLN A 84 20.246 21.767 -31.714 1.00 0.00 O ATOM 1245 CB GLN A 84 21.089 19.122 -33.103 1.00 0.00 C ATOM 1246 CG GLN A 84 20.814 17.615 -32.935 1.00 0.00 C ATOM 1247 CD GLN A 84 22.068 16.737 -33.064 1.00 0.00 C ATOM 1248 OE1 GLN A 84 22.992 17.021 -33.822 1.00 0.00 O ATOM 1249 NE2 GLN A 84 22.147 15.659 -32.302 1.00 0.00 N ATOM 0 H GLN A 84 22.283 18.031 -31.107 1.00 0.00 H new ATOM 0 HA GLN A 84 22.435 20.584 -32.319 1.00 0.00 H new ATOM 0 HB2 GLN A 84 20.147 19.607 -33.359 1.00 0.00 H new ATOM 0 HB3 GLN A 84 21.754 19.247 -33.958 1.00 0.00 H new ATOM 0 HG2 GLN A 84 20.362 17.445 -31.958 1.00 0.00 H new ATOM 0 HG3 GLN A 84 20.085 17.303 -33.683 1.00 0.00 H new ATOM 0 HE21 GLN A 84 21.380 15.422 -31.672 1.00 0.00 H new ATOM 0 HE22 GLN A 84 22.975 15.064 -32.344 1.00 0.00 H new ATOM 1258 N ASP A 85 20.205 20.353 -29.974 1.00 0.00 N ATOM 1259 CA ASP A 85 19.251 21.139 -29.184 1.00 0.00 C ATOM 1260 C ASP A 85 19.464 20.816 -27.706 1.00 0.00 C ATOM 1261 O ASP A 85 19.706 19.664 -27.362 1.00 0.00 O ATOM 1262 CB ASP A 85 17.807 20.818 -29.605 1.00 0.00 C ATOM 1263 CG ASP A 85 16.797 21.752 -28.920 1.00 0.00 C ATOM 1264 OD1 ASP A 85 16.596 21.631 -27.693 1.00 0.00 O ATOM 1265 OD2 ASP A 85 16.202 22.609 -29.612 1.00 0.00 O ATOM 0 H ASP A 85 20.498 19.488 -29.519 1.00 0.00 H new ATOM 0 HA ASP A 85 19.417 22.202 -29.357 1.00 0.00 H new ATOM 0 HB2 ASP A 85 17.714 20.911 -30.687 1.00 0.00 H new ATOM 0 HB3 ASP A 85 17.575 19.783 -29.353 1.00 0.00 H new ATOM 1270 N LYS A 86 19.376 21.823 -26.829 1.00 0.00 N ATOM 1271 CA LYS A 86 19.608 21.722 -25.381 1.00 0.00 C ATOM 1272 C LYS A 86 18.907 20.508 -24.743 1.00 0.00 C ATOM 1273 O LYS A 86 19.431 19.937 -23.786 1.00 0.00 O ATOM 1274 CB LYS A 86 19.116 23.008 -24.675 1.00 0.00 C ATOM 1275 CG LYS A 86 19.343 24.349 -25.403 1.00 0.00 C ATOM 1276 CD LYS A 86 20.803 24.782 -25.626 1.00 0.00 C ATOM 1277 CE LYS A 86 21.378 25.581 -24.444 1.00 0.00 C ATOM 1278 NZ LYS A 86 22.101 24.749 -23.451 1.00 0.00 N ATOM 0 H LYS A 86 19.131 22.770 -27.119 1.00 0.00 H new ATOM 0 HA LYS A 86 20.682 21.593 -25.249 1.00 0.00 H new ATOM 0 HB2 LYS A 86 18.047 22.902 -24.489 1.00 0.00 H new ATOM 0 HB3 LYS A 86 19.604 23.066 -23.702 1.00 0.00 H new ATOM 0 HG2 LYS A 86 18.853 24.294 -26.375 1.00 0.00 H new ATOM 0 HG3 LYS A 86 18.840 25.132 -24.836 1.00 0.00 H new ATOM 0 HD2 LYS A 86 21.417 23.897 -25.793 1.00 0.00 H new ATOM 0 HD3 LYS A 86 20.863 25.387 -26.531 1.00 0.00 H new ATOM 0 HE2 LYS A 86 22.057 26.342 -24.829 1.00 0.00 H new ATOM 0 HE3 LYS A 86 20.564 26.104 -23.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 22.459 25.355 -22.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 21.453 24.039 -23.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 22.899 24.269 -23.915 1.00 0.00 H new ATOM 1292 N LYS A 87 17.725 20.151 -25.256 1.00 0.00 N ATOM 1293 CA LYS A 87 16.842 19.086 -24.781 1.00 0.00 C ATOM 1294 C LYS A 87 17.603 17.784 -24.497 1.00 0.00 C ATOM 1295 O LYS A 87 18.475 17.388 -25.277 1.00 0.00 O ATOM 1296 CB LYS A 87 15.763 18.903 -25.863 1.00 0.00 C ATOM 1297 CG LYS A 87 14.412 18.393 -25.354 1.00 0.00 C ATOM 1298 CD LYS A 87 13.323 18.351 -26.441 1.00 0.00 C ATOM 1299 CE LYS A 87 13.245 19.640 -27.281 1.00 0.00 C ATOM 1300 NZ LYS A 87 11.903 19.866 -27.862 1.00 0.00 N ATOM 0 H LYS A 87 17.336 20.631 -26.067 1.00 0.00 H new ATOM 0 HA LYS A 87 16.391 19.357 -23.827 1.00 0.00 H new ATOM 0 HB2 LYS A 87 15.608 19.858 -26.364 1.00 0.00 H new ATOM 0 HB3 LYS A 87 16.137 18.207 -26.613 1.00 0.00 H new ATOM 0 HG2 LYS A 87 14.542 17.392 -24.942 1.00 0.00 H new ATOM 0 HG3 LYS A 87 14.075 19.032 -24.538 1.00 0.00 H new ATOM 0 HD2 LYS A 87 13.514 17.506 -27.103 1.00 0.00 H new ATOM 0 HD3 LYS A 87 12.356 18.175 -25.969 1.00 0.00 H new ATOM 0 HE2 LYS A 87 13.514 20.492 -26.656 1.00 0.00 H new ATOM 0 HE3 LYS A 87 13.980 19.590 -28.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.930 20.699 -28.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.618 19.031 -28.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.216 20.027 -27.098 1.00 0.00 H new ATOM 1314 N ILE A 88 17.245 17.087 -23.415 1.00 0.00 N ATOM 1315 CA ILE A 88 17.759 15.743 -23.120 1.00 0.00 C ATOM 1316 C ILE A 88 16.706 14.742 -23.619 1.00 0.00 C ATOM 1317 O ILE A 88 15.531 15.088 -23.761 1.00 0.00 O ATOM 1318 CB ILE A 88 18.119 15.556 -21.615 1.00 0.00 C ATOM 1319 CG1 ILE A 88 18.637 16.853 -20.939 1.00 0.00 C ATOM 1320 CG2 ILE A 88 19.154 14.429 -21.439 1.00 0.00 C ATOM 1321 CD1 ILE A 88 19.062 16.701 -19.470 1.00 0.00 C ATOM 0 H ILE A 88 16.590 17.438 -22.717 1.00 0.00 H new ATOM 0 HA ILE A 88 18.704 15.575 -23.637 1.00 0.00 H new ATOM 0 HB ILE A 88 17.188 15.287 -21.116 1.00 0.00 H new ATOM 0 HG12 ILE A 88 19.487 17.226 -21.510 1.00 0.00 H new ATOM 0 HG13 ILE A 88 17.856 17.611 -20.998 1.00 0.00 H new ATOM 0 HG21 ILE A 88 19.391 14.315 -20.381 1.00 0.00 H new ATOM 0 HG22 ILE A 88 18.743 13.495 -21.821 1.00 0.00 H new ATOM 0 HG23 ILE A 88 20.061 14.679 -21.990 1.00 0.00 H new ATOM 0 HD11 ILE A 88 19.408 17.662 -19.090 1.00 0.00 H new ATOM 0 HD12 ILE A 88 18.212 16.362 -18.878 1.00 0.00 H new ATOM 0 HD13 ILE A 88 19.868 15.971 -19.398 1.00 0.00 H new ATOM 1333 N HIS A 89 17.095 13.496 -23.873 1.00 0.00 N ATOM 1334 CA HIS A 89 16.204 12.458 -24.371 1.00 0.00 C ATOM 1335 C HIS A 89 16.372 11.207 -23.512 1.00 0.00 C ATOM 1336 O HIS A 89 17.464 10.966 -22.992 1.00 0.00 O ATOM 1337 CB HIS A 89 16.543 12.201 -25.842 1.00 0.00 C ATOM 1338 CG HIS A 89 15.484 11.432 -26.585 1.00 0.00 C ATOM 1339 ND1 HIS A 89 14.308 11.947 -27.081 1.00 0.00 N ATOM 1340 CD2 HIS A 89 15.537 10.114 -26.952 1.00 0.00 C ATOM 1341 CE1 HIS A 89 13.670 10.965 -27.737 1.00 0.00 C ATOM 1342 NE2 HIS A 89 14.377 9.821 -27.680 1.00 0.00 N ATOM 0 H HIS A 89 18.054 13.176 -23.736 1.00 0.00 H new ATOM 0 HA HIS A 89 15.159 12.762 -24.309 1.00 0.00 H new ATOM 0 HB2 HIS A 89 16.702 13.157 -26.341 1.00 0.00 H new ATOM 0 HB3 HIS A 89 17.483 11.653 -25.898 1.00 0.00 H new ATOM 0 HD2 HIS A 89 16.333 9.422 -26.721 1.00 0.00 H new ATOM 0 HE1 HIS A 89 12.721 11.077 -28.241 1.00 0.00 H new ATOM 0 HE2 HIS A 89 14.120 8.921 -28.086 1.00 0.00 H new ATOM 1350 N VAL A 90 15.310 10.410 -23.383 1.00 0.00 N ATOM 1351 CA VAL A 90 15.251 9.219 -22.540 1.00 0.00 C ATOM 1352 C VAL A 90 14.753 8.078 -23.432 1.00 0.00 C ATOM 1353 O VAL A 90 13.701 8.201 -24.059 1.00 0.00 O ATOM 1354 CB VAL A 90 14.310 9.464 -21.335 1.00 0.00 C ATOM 1355 CG1 VAL A 90 14.443 8.324 -20.317 1.00 0.00 C ATOM 1356 CG2 VAL A 90 14.554 10.808 -20.620 1.00 0.00 C ATOM 0 H VAL A 90 14.437 10.584 -23.881 1.00 0.00 H new ATOM 0 HA VAL A 90 16.227 8.969 -22.123 1.00 0.00 H new ATOM 0 HB VAL A 90 13.302 9.499 -21.748 1.00 0.00 H new ATOM 0 HG11 VAL A 90 13.776 8.509 -19.475 1.00 0.00 H new ATOM 0 HG12 VAL A 90 14.176 7.380 -20.791 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.472 8.273 -19.961 1.00 0.00 H new ATOM 0 HG21 VAL A 90 13.858 10.909 -19.787 1.00 0.00 H new ATOM 0 HG22 VAL A 90 15.577 10.840 -20.244 1.00 0.00 H new ATOM 0 HG23 VAL A 90 14.400 11.627 -21.323 1.00 0.00 H new ATOM 1366 N TYR A 91 15.513 6.992 -23.558 1.00 0.00 N ATOM 1367 CA TYR A 91 15.239 5.945 -24.544 1.00 0.00 C ATOM 1368 C TYR A 91 15.916 4.628 -24.156 1.00 0.00 C ATOM 1369 O TYR A 91 16.503 4.520 -23.076 1.00 0.00 O ATOM 1370 CB TYR A 91 15.654 6.424 -25.953 1.00 0.00 C ATOM 1371 CG TYR A 91 17.136 6.508 -26.311 1.00 0.00 C ATOM 1372 CD1 TYR A 91 18.147 6.650 -25.339 1.00 0.00 C ATOM 1373 CD2 TYR A 91 17.498 6.482 -27.672 1.00 0.00 C ATOM 1374 CE1 TYR A 91 19.492 6.781 -25.717 1.00 0.00 C ATOM 1375 CE2 TYR A 91 18.843 6.617 -28.063 1.00 0.00 C ATOM 1376 CZ TYR A 91 19.850 6.777 -27.081 1.00 0.00 C ATOM 1377 OH TYR A 91 21.157 6.945 -27.430 1.00 0.00 O ATOM 0 H TYR A 91 16.335 6.812 -22.981 1.00 0.00 H new ATOM 0 HA TYR A 91 14.167 5.748 -24.562 1.00 0.00 H new ATOM 0 HB2 TYR A 91 15.180 5.761 -26.677 1.00 0.00 H new ATOM 0 HB3 TYR A 91 15.225 7.415 -26.101 1.00 0.00 H new ATOM 0 HD1 TYR A 91 17.883 6.658 -24.292 1.00 0.00 H new ATOM 0 HD2 TYR A 91 16.734 6.357 -28.425 1.00 0.00 H new ATOM 0 HE1 TYR A 91 20.256 6.885 -24.961 1.00 0.00 H new ATOM 0 HE2 TYR A 91 19.107 6.599 -29.110 1.00 0.00 H new ATOM 0 HH TYR A 91 21.241 6.917 -28.406 1.00 0.00 H new ATOM 1387 N GLY A 92 15.863 3.634 -25.043 1.00 0.00 N ATOM 1388 CA GLY A 92 16.464 2.333 -24.805 1.00 0.00 C ATOM 1389 C GLY A 92 15.684 1.529 -23.769 1.00 0.00 C ATOM 1390 O GLY A 92 14.502 1.781 -23.525 1.00 0.00 O ATOM 0 H GLY A 92 15.399 3.715 -25.948 1.00 0.00 H new ATOM 0 HA2 GLY A 92 16.506 1.776 -25.741 1.00 0.00 H new ATOM 0 HA3 GLY A 92 17.491 2.464 -24.465 1.00 0.00 H new ATOM 1394 N TYR A 93 16.347 0.532 -23.184 1.00 0.00 N ATOM 1395 CA TYR A 93 15.796 -0.325 -22.144 1.00 0.00 C ATOM 1396 C TYR A 93 16.934 -0.810 -21.248 1.00 0.00 C ATOM 1397 O TYR A 93 18.079 -0.895 -21.701 1.00 0.00 O ATOM 1398 CB TYR A 93 15.041 -1.510 -22.770 1.00 0.00 C ATOM 1399 CG TYR A 93 15.826 -2.427 -23.693 1.00 0.00 C ATOM 1400 CD1 TYR A 93 15.937 -2.127 -25.065 1.00 0.00 C ATOM 1401 CD2 TYR A 93 16.384 -3.620 -23.194 1.00 0.00 C ATOM 1402 CE1 TYR A 93 16.608 -3.009 -25.930 1.00 0.00 C ATOM 1403 CE2 TYR A 93 17.065 -4.503 -24.050 1.00 0.00 C ATOM 1404 CZ TYR A 93 17.179 -4.201 -25.427 1.00 0.00 C ATOM 1405 OH TYR A 93 17.817 -5.054 -26.278 1.00 0.00 O ATOM 0 H TYR A 93 17.308 0.295 -23.430 1.00 0.00 H new ATOM 0 HA TYR A 93 15.083 0.238 -21.541 1.00 0.00 H new ATOM 0 HB2 TYR A 93 14.633 -2.115 -21.961 1.00 0.00 H new ATOM 0 HB3 TYR A 93 14.194 -1.113 -23.330 1.00 0.00 H new ATOM 0 HD1 TYR A 93 15.505 -1.217 -25.454 1.00 0.00 H new ATOM 0 HD2 TYR A 93 16.288 -3.858 -22.145 1.00 0.00 H new ATOM 0 HE1 TYR A 93 16.688 -2.776 -26.981 1.00 0.00 H new ATOM 0 HE2 TYR A 93 17.500 -5.410 -23.657 1.00 0.00 H new ATOM 0 HH TYR A 93 18.154 -5.825 -25.776 1.00 0.00 H new ATOM 1415 N SER A 94 16.635 -1.135 -19.987 1.00 0.00 N ATOM 1416 CA SER A 94 17.610 -1.761 -19.110 1.00 0.00 C ATOM 1417 C SER A 94 17.854 -3.175 -19.615 1.00 0.00 C ATOM 1418 O SER A 94 16.907 -3.949 -19.767 1.00 0.00 O ATOM 1419 CB SER A 94 17.134 -1.750 -17.654 1.00 0.00 C ATOM 1420 OG SER A 94 17.967 -2.574 -16.854 1.00 0.00 O ATOM 0 H SER A 94 15.724 -0.972 -19.557 1.00 0.00 H new ATOM 0 HA SER A 94 18.545 -1.201 -19.127 1.00 0.00 H new ATOM 0 HB2 SER A 94 17.144 -0.730 -17.269 1.00 0.00 H new ATOM 0 HB3 SER A 94 16.104 -2.102 -17.599 1.00 0.00 H new ATOM 0 HG SER A 94 17.870 -2.321 -15.912 1.00 0.00 H new ATOM 1426 N MET A 95 19.120 -3.541 -19.814 1.00 0.00 N ATOM 1427 CA MET A 95 19.485 -4.911 -20.161 1.00 0.00 C ATOM 1428 C MET A 95 19.153 -5.888 -19.015 1.00 0.00 C ATOM 1429 O MET A 95 19.068 -7.093 -19.258 1.00 0.00 O ATOM 1430 CB MET A 95 20.967 -4.954 -20.578 1.00 0.00 C ATOM 1431 CG MET A 95 21.343 -6.275 -21.265 1.00 0.00 C ATOM 1432 SD MET A 95 22.893 -6.251 -22.215 1.00 0.00 S ATOM 1433 CE MET A 95 24.125 -6.149 -20.887 1.00 0.00 C ATOM 0 H MET A 95 19.912 -2.903 -19.740 1.00 0.00 H new ATOM 0 HA MET A 95 18.890 -5.243 -21.012 1.00 0.00 H new ATOM 0 HB2 MET A 95 21.176 -4.124 -21.253 1.00 0.00 H new ATOM 0 HB3 MET A 95 21.594 -4.814 -19.697 1.00 0.00 H new ATOM 0 HG2 MET A 95 21.416 -7.052 -20.504 1.00 0.00 H new ATOM 0 HG3 MET A 95 20.531 -6.560 -21.935 1.00 0.00 H new ATOM 0 HE1 MET A 95 25.125 -6.126 -21.320 1.00 0.00 H new ATOM 0 HE2 MET A 95 23.960 -5.241 -20.307 1.00 0.00 H new ATOM 0 HE3 MET A 95 24.031 -7.018 -20.236 1.00 0.00 H new ATOM 1443 N ALA A 96 18.935 -5.394 -17.786 1.00 0.00 N ATOM 1444 CA ALA A 96 18.635 -6.222 -16.621 1.00 0.00 C ATOM 1445 C ALA A 96 17.151 -6.185 -16.237 1.00 0.00 C ATOM 1446 O ALA A 96 16.649 -7.184 -15.718 1.00 0.00 O ATOM 1447 CB ALA A 96 19.488 -5.748 -15.438 1.00 0.00 C ATOM 0 H ALA A 96 18.964 -4.396 -17.577 1.00 0.00 H new ATOM 0 HA ALA A 96 18.871 -7.255 -16.878 1.00 0.00 H new ATOM 0 HB1 ALA A 96 19.270 -6.361 -14.564 1.00 0.00 H new ATOM 0 HB2 ALA A 96 20.544 -5.839 -15.691 1.00 0.00 H new ATOM 0 HB3 ALA A 96 19.257 -4.706 -15.217 1.00 0.00 H new ATOM 1453 N TYR A 97 16.443 -5.079 -16.502 1.00 0.00 N ATOM 1454 CA TYR A 97 15.090 -4.841 -15.984 1.00 0.00 C ATOM 1455 C TYR A 97 14.066 -4.481 -17.070 1.00 0.00 C ATOM 1456 O TYR A 97 12.893 -4.278 -16.751 1.00 0.00 O ATOM 1457 CB TYR A 97 15.139 -3.747 -14.897 1.00 0.00 C ATOM 1458 CG TYR A 97 16.179 -3.930 -13.800 1.00 0.00 C ATOM 1459 CD1 TYR A 97 16.332 -5.178 -13.163 1.00 0.00 C ATOM 1460 CD2 TYR A 97 16.979 -2.840 -13.395 1.00 0.00 C ATOM 1461 CE1 TYR A 97 17.299 -5.353 -12.160 1.00 0.00 C ATOM 1462 CE2 TYR A 97 17.940 -3.005 -12.381 1.00 0.00 C ATOM 1463 CZ TYR A 97 18.111 -4.266 -11.765 1.00 0.00 C ATOM 1464 OH TYR A 97 19.043 -4.425 -10.785 1.00 0.00 O ATOM 0 H TYR A 97 16.795 -4.320 -17.085 1.00 0.00 H new ATOM 0 HA TYR A 97 14.745 -5.782 -15.556 1.00 0.00 H new ATOM 0 HB2 TYR A 97 15.321 -2.789 -15.384 1.00 0.00 H new ATOM 0 HB3 TYR A 97 14.156 -3.685 -14.430 1.00 0.00 H new ATOM 0 HD1 TYR A 97 15.700 -6.006 -13.449 1.00 0.00 H new ATOM 0 HD2 TYR A 97 16.853 -1.876 -13.865 1.00 0.00 H new ATOM 0 HE1 TYR A 97 17.422 -6.318 -11.691 1.00 0.00 H new ATOM 0 HE2 TYR A 97 18.548 -2.167 -12.073 1.00 0.00 H new ATOM 0 HH TYR A 97 19.842 -4.852 -11.159 1.00 0.00 H new ATOM 1474 N GLY A 98 14.470 -4.418 -18.341 1.00 0.00 N ATOM 1475 CA GLY A 98 13.584 -4.070 -19.445 1.00 0.00 C ATOM 1476 C GLY A 98 13.302 -2.565 -19.507 1.00 0.00 C ATOM 1477 O GLY A 98 13.878 -1.785 -18.737 1.00 0.00 O ATOM 0 H GLY A 98 15.429 -4.609 -18.631 1.00 0.00 H new ATOM 0 HA2 GLY A 98 14.032 -4.393 -20.384 1.00 0.00 H new ATOM 0 HA3 GLY A 98 12.643 -4.610 -19.338 1.00 0.00 H new ATOM 1481 N PRO A 99 12.467 -2.124 -20.464 1.00 0.00 N ATOM 1482 CA PRO A 99 12.171 -0.715 -20.657 1.00 0.00 C ATOM 1483 C PRO A 99 11.325 -0.186 -19.502 1.00 0.00 C ATOM 1484 O PRO A 99 10.311 -0.783 -19.128 1.00 0.00 O ATOM 1485 CB PRO A 99 11.418 -0.619 -21.989 1.00 0.00 C ATOM 1486 CG PRO A 99 10.797 -2.005 -22.163 1.00 0.00 C ATOM 1487 CD PRO A 99 11.784 -2.938 -21.460 1.00 0.00 C ATOM 0 HA PRO A 99 13.078 -0.111 -20.679 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.656 0.159 -21.961 1.00 0.00 H new ATOM 0 HB3 PRO A 99 12.091 -0.377 -22.812 1.00 0.00 H new ATOM 0 HG2 PRO A 99 9.806 -2.059 -21.713 1.00 0.00 H new ATOM 0 HG3 PRO A 99 10.683 -2.263 -23.216 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.264 -3.774 -20.991 1.00 0.00 H new ATOM 0 HD3 PRO A 99 12.494 -3.362 -22.170 1.00 0.00 H new ATOM 1495 N ALA A 100 11.742 0.947 -18.942 1.00 0.00 N ATOM 1496 CA ALA A 100 10.929 1.694 -17.998 1.00 0.00 C ATOM 1497 C ALA A 100 9.777 2.378 -18.742 1.00 0.00 C ATOM 1498 O ALA A 100 9.784 2.492 -19.972 1.00 0.00 O ATOM 1499 CB ALA A 100 11.800 2.771 -17.360 1.00 0.00 C ATOM 0 H ALA A 100 12.651 1.369 -19.132 1.00 0.00 H new ATOM 0 HA ALA A 100 10.529 1.020 -17.241 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.207 3.344 -16.647 1.00 0.00 H new ATOM 0 HB2 ALA A 100 12.637 2.303 -16.842 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.180 3.438 -18.134 1.00 0.00 H new ATOM 1505 N GLN A 101 8.802 2.889 -17.987 1.00 0.00 N ATOM 1506 CA GLN A 101 7.772 3.767 -18.520 1.00 0.00 C ATOM 1507 C GLN A 101 8.412 5.152 -18.636 1.00 0.00 C ATOM 1508 O GLN A 101 8.205 6.003 -17.775 1.00 0.00 O ATOM 1509 CB GLN A 101 6.521 3.775 -17.621 1.00 0.00 C ATOM 1510 CG GLN A 101 5.730 2.468 -17.746 1.00 0.00 C ATOM 1511 CD GLN A 101 4.462 2.493 -16.891 1.00 0.00 C ATOM 1512 OE1 GLN A 101 4.412 1.925 -15.803 1.00 0.00 O ATOM 1513 NE2 GLN A 101 3.410 3.152 -17.354 1.00 0.00 N ATOM 0 H GLN A 101 8.709 2.702 -16.989 1.00 0.00 H new ATOM 0 HA GLN A 101 7.422 3.425 -19.494 1.00 0.00 H new ATOM 0 HB2 GLN A 101 6.819 3.923 -16.583 1.00 0.00 H new ATOM 0 HB3 GLN A 101 5.882 4.615 -17.892 1.00 0.00 H new ATOM 0 HG2 GLN A 101 5.463 2.302 -18.790 1.00 0.00 H new ATOM 0 HG3 GLN A 101 6.358 1.631 -17.441 1.00 0.00 H new ATOM 0 HE21 GLN A 101 3.460 3.621 -18.258 1.00 0.00 H new ATOM 0 HE22 GLN A 101 2.551 3.190 -16.806 1.00 0.00 H new ATOM 1522 N HIS A 102 9.232 5.377 -19.665 1.00 0.00 N ATOM 1523 CA HIS A 102 9.971 6.628 -19.855 1.00 0.00 C ATOM 1524 C HIS A 102 9.059 7.861 -19.931 1.00 0.00 C ATOM 1525 O HIS A 102 9.529 8.973 -19.695 1.00 0.00 O ATOM 1526 CB HIS A 102 10.853 6.529 -21.103 1.00 0.00 C ATOM 1527 CG HIS A 102 11.794 5.354 -21.074 1.00 0.00 C ATOM 1528 ND1 HIS A 102 11.723 4.207 -21.834 1.00 0.00 N ATOM 1529 CD2 HIS A 102 12.816 5.183 -20.184 1.00 0.00 C ATOM 1530 CE1 HIS A 102 12.679 3.369 -21.396 1.00 0.00 C ATOM 1531 NE2 HIS A 102 13.390 3.929 -20.408 1.00 0.00 N ATOM 0 H HIS A 102 9.404 4.689 -20.398 1.00 0.00 H new ATOM 0 HA HIS A 102 10.597 6.766 -18.974 1.00 0.00 H new ATOM 0 HB2 HIS A 102 10.216 6.454 -21.985 1.00 0.00 H new ATOM 0 HB3 HIS A 102 11.432 7.447 -21.204 1.00 0.00 H new ATOM 0 HD1 HIS A 102 11.064 4.026 -22.592 1.00 0.00 H new ATOM 0 HD2 HIS A 102 13.127 5.896 -19.435 1.00 0.00 H new ATOM 0 HE1 HIS A 102 12.851 2.377 -21.788 1.00 0.00 H new ATOM 1539 N ALA A 103 7.761 7.675 -20.207 1.00 0.00 N ATOM 1540 CA ALA A 103 6.752 8.721 -20.094 1.00 0.00 C ATOM 1541 C ALA A 103 6.756 9.349 -18.689 1.00 0.00 C ATOM 1542 O ALA A 103 6.591 10.563 -18.552 1.00 0.00 O ATOM 1543 CB ALA A 103 5.375 8.119 -20.398 1.00 0.00 C ATOM 0 H ALA A 103 7.384 6.780 -20.519 1.00 0.00 H new ATOM 0 HA ALA A 103 6.981 9.510 -20.810 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.613 8.894 -20.316 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.371 7.712 -21.409 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.161 7.323 -19.685 1.00 0.00 H new ATOM 1549 N ILE A 104 6.962 8.534 -17.647 1.00 0.00 N ATOM 1550 CA ILE A 104 7.081 8.996 -16.269 1.00 0.00 C ATOM 1551 C ILE A 104 8.297 9.903 -16.173 1.00 0.00 C ATOM 1552 O ILE A 104 8.176 11.007 -15.654 1.00 0.00 O ATOM 1553 CB ILE A 104 7.195 7.806 -15.284 1.00 0.00 C ATOM 1554 CG1 ILE A 104 5.978 6.862 -15.358 1.00 0.00 C ATOM 1555 CG2 ILE A 104 7.405 8.288 -13.836 1.00 0.00 C ATOM 1556 CD1 ILE A 104 4.700 7.484 -14.792 1.00 0.00 C ATOM 0 H ILE A 104 7.051 7.523 -17.744 1.00 0.00 H new ATOM 0 HA ILE A 104 6.184 9.549 -15.990 1.00 0.00 H new ATOM 0 HB ILE A 104 8.073 7.239 -15.593 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.808 6.579 -16.397 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.202 5.946 -14.811 1.00 0.00 H new ATOM 0 HG21 ILE A 104 7.481 7.426 -13.173 1.00 0.00 H new ATOM 0 HG22 ILE A 104 8.323 8.873 -13.777 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.560 8.906 -13.532 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.881 6.770 -14.873 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.854 7.742 -13.744 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.453 8.384 -15.355 1.00 0.00 H new ATOM 1568 N SER A 105 9.447 9.469 -16.689 1.00 0.00 N ATOM 1569 CA SER A 105 10.672 10.240 -16.645 1.00 0.00 C ATOM 1570 C SER A 105 10.477 11.615 -17.266 1.00 0.00 C ATOM 1571 O SER A 105 10.832 12.611 -16.641 1.00 0.00 O ATOM 1572 CB SER A 105 11.770 9.474 -17.371 1.00 0.00 C ATOM 1573 OG SER A 105 11.820 8.157 -16.861 1.00 0.00 O ATOM 0 H SER A 105 9.547 8.565 -17.151 1.00 0.00 H new ATOM 0 HA SER A 105 10.960 10.390 -15.604 1.00 0.00 H new ATOM 0 HB2 SER A 105 11.573 9.456 -18.443 1.00 0.00 H new ATOM 0 HB3 SER A 105 12.731 9.969 -17.232 1.00 0.00 H new ATOM 0 HG SER A 105 12.300 8.155 -16.007 1.00 0.00 H new ATOM 1579 N THR A 106 9.880 11.691 -18.454 1.00 0.00 N ATOM 1580 CA THR A 106 9.625 12.972 -19.097 1.00 0.00 C ATOM 1581 C THR A 106 8.689 13.846 -18.255 1.00 0.00 C ATOM 1582 O THR A 106 8.999 15.019 -18.052 1.00 0.00 O ATOM 1583 CB THR A 106 9.139 12.773 -20.543 1.00 0.00 C ATOM 1584 OG1 THR A 106 8.192 11.732 -20.673 1.00 0.00 O ATOM 1585 CG2 THR A 106 10.315 12.388 -21.443 1.00 0.00 C ATOM 0 H THR A 106 9.566 10.880 -18.987 1.00 0.00 H new ATOM 0 HA THR A 106 10.565 13.521 -19.161 1.00 0.00 H new ATOM 0 HB THR A 106 8.682 13.720 -20.829 1.00 0.00 H new ATOM 0 HG1 THR A 106 7.743 11.589 -19.814 1.00 0.00 H new ATOM 0 HG21 THR A 106 9.961 12.249 -22.465 1.00 0.00 H new ATOM 0 HG22 THR A 106 11.063 13.180 -21.423 1.00 0.00 H new ATOM 0 HG23 THR A 106 10.759 11.460 -21.084 1.00 0.00 H new ATOM 1593 N GLU A 107 7.595 13.298 -17.710 1.00 0.00 N ATOM 1594 CA GLU A 107 6.667 14.061 -16.879 1.00 0.00 C ATOM 1595 C GLU A 107 7.378 14.596 -15.628 1.00 0.00 C ATOM 1596 O GLU A 107 7.278 15.780 -15.298 1.00 0.00 O ATOM 1597 CB GLU A 107 5.436 13.198 -16.518 1.00 0.00 C ATOM 1598 CG GLU A 107 4.447 13.145 -17.693 1.00 0.00 C ATOM 1599 CD GLU A 107 3.116 12.488 -17.290 1.00 0.00 C ATOM 1600 OE1 GLU A 107 2.991 11.244 -17.344 1.00 0.00 O ATOM 1601 OE2 GLU A 107 2.161 13.218 -16.934 1.00 0.00 O ATOM 0 H GLU A 107 7.333 12.320 -17.834 1.00 0.00 H new ATOM 0 HA GLU A 107 6.311 14.923 -17.444 1.00 0.00 H new ATOM 0 HB2 GLU A 107 5.756 12.189 -16.260 1.00 0.00 H new ATOM 0 HB3 GLU A 107 4.942 13.610 -15.638 1.00 0.00 H new ATOM 0 HG2 GLU A 107 4.258 14.156 -18.055 1.00 0.00 H new ATOM 0 HG3 GLU A 107 4.892 12.589 -18.518 1.00 0.00 H new ATOM 1608 N LYS A 108 8.143 13.731 -14.961 1.00 0.00 N ATOM 1609 CA LYS A 108 8.883 14.027 -13.742 1.00 0.00 C ATOM 1610 C LYS A 108 9.927 15.110 -13.995 1.00 0.00 C ATOM 1611 O LYS A 108 9.939 16.131 -13.309 1.00 0.00 O ATOM 1612 CB LYS A 108 9.554 12.726 -13.268 1.00 0.00 C ATOM 1613 CG LYS A 108 8.583 11.710 -12.645 1.00 0.00 C ATOM 1614 CD LYS A 108 8.386 12.006 -11.160 1.00 0.00 C ATOM 1615 CE LYS A 108 7.304 11.120 -10.537 1.00 0.00 C ATOM 1616 NZ LYS A 108 7.363 11.185 -9.061 1.00 0.00 N ATOM 0 H LYS A 108 8.266 12.767 -15.271 1.00 0.00 H new ATOM 0 HA LYS A 108 8.206 14.401 -12.974 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.057 12.260 -14.115 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.324 12.972 -12.537 1.00 0.00 H new ATOM 0 HG2 LYS A 108 7.624 11.750 -13.161 1.00 0.00 H new ATOM 0 HG3 LYS A 108 8.972 10.700 -12.773 1.00 0.00 H new ATOM 0 HD2 LYS A 108 9.327 11.854 -10.632 1.00 0.00 H new ATOM 0 HD3 LYS A 108 8.115 13.054 -11.032 1.00 0.00 H new ATOM 0 HE2 LYS A 108 6.321 11.441 -10.881 1.00 0.00 H new ATOM 0 HE3 LYS A 108 7.436 10.089 -10.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 6.429 10.956 -8.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 8.064 10.501 -8.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 7.638 12.144 -8.766 1.00 0.00 H new ATOM 1630 N ILE A 109 10.803 14.900 -14.976 1.00 0.00 N ATOM 1631 CA ILE A 109 11.912 15.796 -15.276 1.00 0.00 C ATOM 1632 C ILE A 109 11.357 17.159 -15.702 1.00 0.00 C ATOM 1633 O ILE A 109 11.824 18.177 -15.190 1.00 0.00 O ATOM 1634 CB ILE A 109 12.831 15.137 -16.334 1.00 0.00 C ATOM 1635 CG1 ILE A 109 13.608 13.938 -15.729 1.00 0.00 C ATOM 1636 CG2 ILE A 109 13.834 16.141 -16.924 1.00 0.00 C ATOM 1637 CD1 ILE A 109 14.213 13.003 -16.787 1.00 0.00 C ATOM 0 H ILE A 109 10.759 14.089 -15.593 1.00 0.00 H new ATOM 0 HA ILE A 109 12.530 15.972 -14.395 1.00 0.00 H new ATOM 0 HB ILE A 109 12.181 14.782 -17.134 1.00 0.00 H new ATOM 0 HG12 ILE A 109 14.407 14.317 -15.092 1.00 0.00 H new ATOM 0 HG13 ILE A 109 12.936 13.365 -15.091 1.00 0.00 H new ATOM 0 HG21 ILE A 109 14.460 15.639 -17.662 1.00 0.00 H new ATOM 0 HG22 ILE A 109 13.293 16.957 -17.402 1.00 0.00 H new ATOM 0 HG23 ILE A 109 14.462 16.539 -16.127 1.00 0.00 H new ATOM 0 HD11 ILE A 109 14.741 12.188 -16.293 1.00 0.00 H new ATOM 0 HD12 ILE A 109 13.417 12.595 -17.410 1.00 0.00 H new ATOM 0 HD13 ILE A 109 14.911 13.562 -17.411 1.00 0.00 H new ATOM 1649 N LYS A 110 10.350 17.210 -16.586 1.00 0.00 N ATOM 1650 CA LYS A 110 9.791 18.489 -17.031 1.00 0.00 C ATOM 1651 C LYS A 110 9.235 19.280 -15.848 1.00 0.00 C ATOM 1652 O LYS A 110 9.441 20.492 -15.791 1.00 0.00 O ATOM 1653 CB LYS A 110 8.702 18.280 -18.096 1.00 0.00 C ATOM 1654 CG LYS A 110 9.281 17.933 -19.476 1.00 0.00 C ATOM 1655 CD LYS A 110 8.159 17.635 -20.487 1.00 0.00 C ATOM 1656 CE LYS A 110 8.364 18.411 -21.796 1.00 0.00 C ATOM 1657 NZ LYS A 110 7.215 18.256 -22.724 1.00 0.00 N ATOM 0 H LYS A 110 9.912 16.388 -17.002 1.00 0.00 H new ATOM 0 HA LYS A 110 10.600 19.064 -17.482 1.00 0.00 H new ATOM 0 HB2 LYS A 110 8.035 17.480 -17.775 1.00 0.00 H new ATOM 0 HB3 LYS A 110 8.100 19.185 -18.176 1.00 0.00 H new ATOM 0 HG2 LYS A 110 9.890 18.762 -19.837 1.00 0.00 H new ATOM 0 HG3 LYS A 110 9.938 17.067 -19.391 1.00 0.00 H new ATOM 0 HD2 LYS A 110 8.131 16.566 -20.697 1.00 0.00 H new ATOM 0 HD3 LYS A 110 7.195 17.900 -20.052 1.00 0.00 H new ATOM 0 HE2 LYS A 110 8.508 19.468 -21.571 1.00 0.00 H new ATOM 0 HE3 LYS A 110 9.274 18.062 -22.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.396 18.796 -23.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.092 17.251 -22.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 6.351 18.613 -22.269 1.00 0.00 H new ATOM 1671 N ALA A 111 8.569 18.615 -14.897 1.00 0.00 N ATOM 1672 CA ALA A 111 8.074 19.276 -13.697 1.00 0.00 C ATOM 1673 C ALA A 111 9.231 19.790 -12.829 1.00 0.00 C ATOM 1674 O ALA A 111 9.160 20.908 -12.316 1.00 0.00 O ATOM 1675 CB ALA A 111 7.188 18.314 -12.898 1.00 0.00 C ATOM 0 H ALA A 111 8.363 17.617 -14.941 1.00 0.00 H new ATOM 0 HA ALA A 111 7.479 20.138 -14.001 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.822 18.816 -12.002 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.342 18.004 -13.512 1.00 0.00 H new ATOM 0 HB3 ALA A 111 7.769 17.438 -12.611 1.00 0.00 H new ATOM 1681 N LYS A 112 10.288 18.987 -12.643 1.00 0.00 N ATOM 1682 CA LYS A 112 11.341 19.280 -11.673 1.00 0.00 C ATOM 1683 C LYS A 112 12.389 20.275 -12.193 1.00 0.00 C ATOM 1684 O LYS A 112 13.134 20.826 -11.383 1.00 0.00 O ATOM 1685 CB LYS A 112 11.950 17.956 -11.172 1.00 0.00 C ATOM 1686 CG LYS A 112 12.463 18.023 -9.725 1.00 0.00 C ATOM 1687 CD LYS A 112 11.328 18.239 -8.707 1.00 0.00 C ATOM 1688 CE LYS A 112 11.795 17.952 -7.275 1.00 0.00 C ATOM 1689 NZ LYS A 112 10.740 18.267 -6.277 1.00 0.00 N ATOM 0 H LYS A 112 10.433 18.120 -13.161 1.00 0.00 H new ATOM 0 HA LYS A 112 10.893 19.796 -10.824 1.00 0.00 H new ATOM 0 HB2 LYS A 112 11.199 17.169 -11.246 1.00 0.00 H new ATOM 0 HB3 LYS A 112 12.774 17.674 -11.828 1.00 0.00 H new ATOM 0 HG2 LYS A 112 12.990 17.099 -9.486 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.186 18.834 -9.636 1.00 0.00 H new ATOM 0 HD2 LYS A 112 10.968 19.266 -8.774 1.00 0.00 H new ATOM 0 HD3 LYS A 112 10.488 17.590 -8.954 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.076 16.902 -7.188 1.00 0.00 H new ATOM 0 HE3 LYS A 112 12.687 18.540 -7.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.093 18.060 -5.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 10.489 19.274 -6.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 9.898 17.688 -6.468 1.00 0.00 H new ATOM 1703 N TYR A 113 12.438 20.543 -13.505 1.00 0.00 N ATOM 1704 CA TYR A 113 13.368 21.490 -14.134 1.00 0.00 C ATOM 1705 C TYR A 113 14.851 21.251 -13.733 1.00 0.00 C ATOM 1706 O TYR A 113 15.538 22.195 -13.330 1.00 0.00 O ATOM 1707 CB TYR A 113 12.870 22.948 -13.903 1.00 0.00 C ATOM 1708 CG TYR A 113 12.145 23.630 -15.053 1.00 0.00 C ATOM 1709 CD1 TYR A 113 12.765 23.752 -16.313 1.00 0.00 C ATOM 1710 CD2 TYR A 113 10.912 24.274 -14.821 1.00 0.00 C ATOM 1711 CE1 TYR A 113 12.155 24.499 -17.337 1.00 0.00 C ATOM 1712 CE2 TYR A 113 10.297 25.023 -15.840 1.00 0.00 C ATOM 1713 CZ TYR A 113 10.915 25.138 -17.106 1.00 0.00 C ATOM 1714 OH TYR A 113 10.317 25.878 -18.083 1.00 0.00 O ATOM 0 H TYR A 113 11.815 20.095 -14.176 1.00 0.00 H new ATOM 0 HA TYR A 113 13.367 21.313 -15.210 1.00 0.00 H new ATOM 0 HB2 TYR A 113 12.204 22.944 -13.040 1.00 0.00 H new ATOM 0 HB3 TYR A 113 13.732 23.560 -13.638 1.00 0.00 H new ATOM 0 HD1 TYR A 113 13.714 23.269 -16.493 1.00 0.00 H new ATOM 0 HD2 TYR A 113 10.437 24.191 -13.855 1.00 0.00 H new ATOM 0 HE1 TYR A 113 12.634 24.585 -18.301 1.00 0.00 H new ATOM 0 HE2 TYR A 113 9.351 25.511 -15.655 1.00 0.00 H new ATOM 0 HH TYR A 113 9.471 26.242 -17.747 1.00 0.00 H new ATOM 1724 N PRO A 114 15.406 20.022 -13.832 1.00 0.00 N ATOM 1725 CA PRO A 114 16.826 19.806 -13.565 1.00 0.00 C ATOM 1726 C PRO A 114 17.719 20.366 -14.689 1.00 0.00 C ATOM 1727 O PRO A 114 18.913 20.567 -14.459 1.00 0.00 O ATOM 1728 CB PRO A 114 16.986 18.294 -13.407 1.00 0.00 C ATOM 1729 CG PRO A 114 15.930 17.749 -14.359 1.00 0.00 C ATOM 1730 CD PRO A 114 14.795 18.775 -14.273 1.00 0.00 C ATOM 0 HA PRO A 114 17.145 20.336 -12.668 1.00 0.00 H new ATOM 0 HB2 PRO A 114 17.988 17.961 -13.679 1.00 0.00 H new ATOM 0 HB3 PRO A 114 16.811 17.973 -12.380 1.00 0.00 H new ATOM 0 HG2 PRO A 114 16.314 17.662 -15.375 1.00 0.00 H new ATOM 0 HG3 PRO A 114 15.595 16.756 -14.059 1.00 0.00 H new ATOM 0 HD2 PRO A 114 14.310 18.900 -15.241 1.00 0.00 H new ATOM 0 HD3 PRO A 114 14.027 18.448 -13.571 1.00 0.00 H new ATOM 1738 N ASP A 115 17.166 20.641 -15.882 1.00 0.00 N ATOM 1739 CA ASP A 115 17.897 21.259 -16.990 1.00 0.00 C ATOM 1740 C ASP A 115 17.006 22.220 -17.783 1.00 0.00 C ATOM 1741 O ASP A 115 17.144 23.430 -17.595 1.00 0.00 O ATOM 1742 CB ASP A 115 18.523 20.196 -17.901 1.00 0.00 C ATOM 1743 CG ASP A 115 19.248 20.863 -19.081 1.00 0.00 C ATOM 1744 OD1 ASP A 115 20.261 21.563 -18.853 1.00 0.00 O ATOM 1745 OD2 ASP A 115 18.806 20.688 -20.236 1.00 0.00 O ATOM 0 H ASP A 115 16.191 20.437 -16.102 1.00 0.00 H new ATOM 0 HA ASP A 115 18.708 21.847 -16.562 1.00 0.00 H new ATOM 0 HB2 ASP A 115 19.225 19.587 -17.331 1.00 0.00 H new ATOM 0 HB3 ASP A 115 17.749 19.525 -18.274 1.00 0.00 H new ATOM 1750 N TYR A 116 16.085 21.730 -18.630 1.00 0.00 N ATOM 1751 CA TYR A 116 15.294 22.598 -19.509 1.00 0.00 C ATOM 1752 C TYR A 116 13.994 21.900 -19.937 1.00 0.00 C ATOM 1753 O TYR A 116 12.925 22.228 -19.429 1.00 0.00 O ATOM 1754 CB TYR A 116 16.159 23.029 -20.721 1.00 0.00 C ATOM 1755 CG TYR A 116 15.810 24.349 -21.397 1.00 0.00 C ATOM 1756 CD1 TYR A 116 14.490 24.846 -21.448 1.00 0.00 C ATOM 1757 CD2 TYR A 116 16.851 25.097 -21.985 1.00 0.00 C ATOM 1758 CE1 TYR A 116 14.221 26.085 -22.056 1.00 0.00 C ATOM 1759 CE2 TYR A 116 16.589 26.335 -22.597 1.00 0.00 C ATOM 1760 CZ TYR A 116 15.269 26.839 -22.631 1.00 0.00 C ATOM 1761 OH TYR A 116 14.995 28.043 -23.209 1.00 0.00 O ATOM 0 H TYR A 116 15.872 20.737 -18.722 1.00 0.00 H new ATOM 0 HA TYR A 116 15.000 23.498 -18.969 1.00 0.00 H new ATOM 0 HB2 TYR A 116 17.197 23.083 -20.392 1.00 0.00 H new ATOM 0 HB3 TYR A 116 16.103 22.241 -21.472 1.00 0.00 H new ATOM 0 HD1 TYR A 116 13.683 24.272 -21.018 1.00 0.00 H new ATOM 0 HD2 TYR A 116 17.861 24.714 -21.965 1.00 0.00 H new ATOM 0 HE1 TYR A 116 13.209 26.462 -22.084 1.00 0.00 H new ATOM 0 HE2 TYR A 116 17.395 26.900 -23.041 1.00 0.00 H new ATOM 0 HH TYR A 116 15.823 28.435 -23.556 1.00 0.00 H new ATOM 1771 N GLU A 117 14.069 20.924 -20.840 1.00 0.00 N ATOM 1772 CA GLU A 117 12.944 20.165 -21.375 1.00 0.00 C ATOM 1773 C GLU A 117 13.525 18.824 -21.820 1.00 0.00 C ATOM 1774 O GLU A 117 14.727 18.733 -22.105 1.00 0.00 O ATOM 1775 CB GLU A 117 12.287 20.939 -22.543 1.00 0.00 C ATOM 1776 CG GLU A 117 11.158 20.179 -23.255 1.00 0.00 C ATOM 1777 CD GLU A 117 10.496 21.003 -24.373 1.00 0.00 C ATOM 1778 OE1 GLU A 117 9.725 21.945 -24.080 1.00 0.00 O ATOM 1779 OE2 GLU A 117 10.706 20.679 -25.561 1.00 0.00 O ATOM 0 H GLU A 117 14.961 20.628 -21.237 1.00 0.00 H new ATOM 0 HA GLU A 117 12.156 20.010 -20.638 1.00 0.00 H new ATOM 0 HB2 GLU A 117 11.890 21.880 -22.161 1.00 0.00 H new ATOM 0 HB3 GLU A 117 13.056 21.190 -23.274 1.00 0.00 H new ATOM 0 HG2 GLU A 117 11.557 19.257 -23.678 1.00 0.00 H new ATOM 0 HG3 GLU A 117 10.402 19.893 -22.524 1.00 0.00 H new ATOM 1786 N VAL A 118 12.687 17.789 -21.890 1.00 0.00 N ATOM 1787 CA VAL A 118 13.099 16.462 -22.312 1.00 0.00 C ATOM 1788 C VAL A 118 12.025 15.798 -23.173 1.00 0.00 C ATOM 1789 O VAL A 118 10.868 16.229 -23.177 1.00 0.00 O ATOM 1790 CB VAL A 118 13.480 15.597 -21.093 1.00 0.00 C ATOM 1791 CG1 VAL A 118 14.716 16.157 -20.380 1.00 0.00 C ATOM 1792 CG2 VAL A 118 12.345 15.458 -20.074 1.00 0.00 C ATOM 0 H VAL A 118 11.697 17.855 -21.652 1.00 0.00 H new ATOM 0 HA VAL A 118 13.988 16.560 -22.934 1.00 0.00 H new ATOM 0 HB VAL A 118 13.695 14.607 -21.496 1.00 0.00 H new ATOM 0 HG11 VAL A 118 14.960 15.526 -19.525 1.00 0.00 H new ATOM 0 HG12 VAL A 118 15.559 16.173 -21.071 1.00 0.00 H new ATOM 0 HG13 VAL A 118 14.510 17.170 -20.036 1.00 0.00 H new ATOM 0 HG21 VAL A 118 12.677 14.838 -19.241 1.00 0.00 H new ATOM 0 HG22 VAL A 118 12.066 16.444 -19.703 1.00 0.00 H new ATOM 0 HG23 VAL A 118 11.483 14.992 -20.551 1.00 0.00 H new ATOM 1802 N THR A 119 12.413 14.730 -23.869 1.00 0.00 N ATOM 1803 CA THR A 119 11.557 13.902 -24.714 1.00 0.00 C ATOM 1804 C THR A 119 11.907 12.427 -24.476 1.00 0.00 C ATOM 1805 O THR A 119 12.886 12.117 -23.788 1.00 0.00 O ATOM 1806 CB THR A 119 11.744 14.301 -26.193 1.00 0.00 C ATOM 1807 OG1 THR A 119 13.113 14.521 -26.502 1.00 0.00 O ATOM 1808 CG2 THR A 119 10.937 15.547 -26.561 1.00 0.00 C ATOM 0 H THR A 119 13.379 14.404 -23.858 1.00 0.00 H new ATOM 0 HA THR A 119 10.508 14.054 -24.462 1.00 0.00 H new ATOM 0 HB THR A 119 11.373 13.463 -26.783 1.00 0.00 H new ATOM 0 HG1 THR A 119 13.545 13.664 -26.701 1.00 0.00 H new ATOM 0 HG21 THR A 119 11.100 15.789 -27.611 1.00 0.00 H new ATOM 0 HG22 THR A 119 9.877 15.357 -26.393 1.00 0.00 H new ATOM 0 HG23 THR A 119 11.258 16.384 -25.941 1.00 0.00 H new ATOM 1816 N TRP A 120 11.126 11.509 -25.050 1.00 0.00 N ATOM 1817 CA TRP A 120 11.429 10.088 -25.019 1.00 0.00 C ATOM 1818 C TRP A 120 11.045 9.435 -26.337 1.00 0.00 C ATOM 1819 O TRP A 120 10.352 10.039 -27.163 1.00 0.00 O ATOM 1820 CB TRP A 120 10.713 9.384 -23.851 1.00 0.00 C ATOM 1821 CG TRP A 120 9.227 9.197 -23.968 1.00 0.00 C ATOM 1822 CD1 TRP A 120 8.299 10.178 -23.987 1.00 0.00 C ATOM 1823 CD2 TRP A 120 8.471 7.949 -24.071 1.00 0.00 C ATOM 1824 NE1 TRP A 120 7.034 9.634 -24.052 1.00 0.00 N ATOM 1825 CE2 TRP A 120 7.077 8.257 -24.079 1.00 0.00 C ATOM 1826 CE3 TRP A 120 8.821 6.583 -24.151 1.00 0.00 C ATOM 1827 CZ2 TRP A 120 6.087 7.263 -24.118 1.00 0.00 C ATOM 1828 CZ3 TRP A 120 7.837 5.576 -24.155 1.00 0.00 C ATOM 1829 CH2 TRP A 120 6.472 5.913 -24.138 1.00 0.00 C ATOM 0 H TRP A 120 10.266 11.737 -25.549 1.00 0.00 H new ATOM 0 HA TRP A 120 12.503 9.982 -24.868 1.00 0.00 H new ATOM 0 HB2 TRP A 120 11.167 8.402 -23.719 1.00 0.00 H new ATOM 0 HB3 TRP A 120 10.911 9.952 -22.942 1.00 0.00 H new ATOM 0 HD1 TRP A 120 8.516 11.235 -23.956 1.00 0.00 H new ATOM 0 HE1 TRP A 120 6.174 10.182 -24.077 1.00 0.00 H new ATOM 0 HE3 TRP A 120 9.863 6.306 -24.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 5.041 7.533 -24.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 8.133 4.537 -24.171 1.00 0.00 H new ATOM 0 HH2 TRP A 120 5.722 5.136 -24.140 1.00 0.00 H new ATOM 1840 N ALA A 121 11.473 8.187 -26.504 1.00 0.00 N ATOM 1841 CA ALA A 121 11.048 7.308 -27.572 1.00 0.00 C ATOM 1842 C ALA A 121 11.029 5.893 -27.003 1.00 0.00 C ATOM 1843 O ALA A 121 11.892 5.529 -26.200 1.00 0.00 O ATOM 1844 CB ALA A 121 12.009 7.406 -28.764 1.00 0.00 C ATOM 0 H ALA A 121 12.148 7.752 -25.875 1.00 0.00 H new ATOM 0 HA ALA A 121 10.059 7.587 -27.936 1.00 0.00 H new ATOM 0 HB1 ALA A 121 11.674 6.738 -29.558 1.00 0.00 H new ATOM 0 HB2 ALA A 121 12.025 8.431 -29.135 1.00 0.00 H new ATOM 0 HB3 ALA A 121 13.012 7.119 -28.448 1.00 0.00 H new ATOM 1850 N ASN A 122 10.052 5.090 -27.424 1.00 0.00 N ATOM 1851 CA ASN A 122 9.866 3.712 -26.968 1.00 0.00 C ATOM 1852 C ASN A 122 10.725 2.751 -27.807 1.00 0.00 C ATOM 1853 O ASN A 122 10.259 1.707 -28.267 1.00 0.00 O ATOM 1854 CB ASN A 122 8.369 3.363 -27.015 1.00 0.00 C ATOM 1855 CG ASN A 122 8.073 2.023 -26.340 1.00 0.00 C ATOM 1856 OD1 ASN A 122 8.674 1.670 -25.328 1.00 0.00 O ATOM 1857 ND2 ASN A 122 7.132 1.254 -26.864 1.00 0.00 N ATOM 0 H ASN A 122 9.353 5.385 -28.106 1.00 0.00 H new ATOM 0 HA ASN A 122 10.201 3.608 -25.936 1.00 0.00 H new ATOM 0 HB2 ASN A 122 7.797 4.151 -26.524 1.00 0.00 H new ATOM 0 HB3 ASN A 122 8.037 3.328 -28.053 1.00 0.00 H new ATOM 0 HD21 ASN A 122 6.901 0.361 -26.428 1.00 0.00 H new ATOM 0 HD22 ASN A 122 6.638 1.554 -27.704 1.00 0.00 H new ATOM 1864 N ASP A 123 11.960 3.157 -28.106 1.00 0.00 N ATOM 1865 CA ASP A 123 12.871 2.509 -29.049 1.00 0.00 C ATOM 1866 C ASP A 123 14.308 2.879 -28.653 1.00 0.00 C ATOM 1867 O ASP A 123 14.522 3.516 -27.617 1.00 0.00 O ATOM 1868 CB ASP A 123 12.545 2.985 -30.482 1.00 0.00 C ATOM 1869 CG ASP A 123 13.087 2.084 -31.609 1.00 0.00 C ATOM 1870 OD1 ASP A 123 13.774 1.074 -31.341 1.00 0.00 O ATOM 1871 OD2 ASP A 123 12.824 2.394 -32.794 1.00 0.00 O ATOM 0 H ASP A 123 12.371 3.986 -27.677 1.00 0.00 H new ATOM 0 HA ASP A 123 12.760 1.425 -29.022 1.00 0.00 H new ATOM 0 HB2 ASP A 123 11.463 3.059 -30.586 1.00 0.00 H new ATOM 0 HB3 ASP A 123 12.948 3.989 -30.615 1.00 0.00 H new ATOM 1876 N GLY A 124 15.294 2.511 -29.467 1.00 0.00 N ATOM 1877 CA GLY A 124 16.705 2.775 -29.217 1.00 0.00 C ATOM 1878 C GLY A 124 17.323 1.693 -28.330 1.00 0.00 C ATOM 1879 O GLY A 124 16.760 0.605 -28.166 1.00 0.00 O ATOM 0 H GLY A 124 15.128 2.009 -30.339 1.00 0.00 H new ATOM 0 HA2 GLY A 124 17.242 2.822 -30.164 1.00 0.00 H new ATOM 0 HA3 GLY A 124 16.816 3.748 -28.739 1.00 0.00 H new ATOM 1883 N TYR A 125 18.484 2.003 -27.751 1.00 0.00 N ATOM 1884 CA TYR A 125 19.240 1.152 -26.840 1.00 0.00 C ATOM 1885 C TYR A 125 19.814 2.052 -25.749 1.00 0.00 C ATOM 1886 O TYR A 125 20.007 1.566 -24.618 1.00 0.00 O ATOM 1887 CB TYR A 125 20.377 0.428 -27.581 1.00 0.00 C ATOM 1888 CG TYR A 125 19.939 -0.606 -28.605 1.00 0.00 C ATOM 1889 CD1 TYR A 125 19.235 -1.753 -28.189 1.00 0.00 C ATOM 1890 CD2 TYR A 125 20.264 -0.445 -29.967 1.00 0.00 C ATOM 1891 CE1 TYR A 125 18.846 -2.729 -29.123 1.00 0.00 C ATOM 1892 CE2 TYR A 125 19.884 -1.420 -30.907 1.00 0.00 C ATOM 1893 CZ TYR A 125 19.169 -2.566 -30.490 1.00 0.00 C ATOM 1894 OH TYR A 125 18.808 -3.504 -31.412 1.00 0.00 O ATOM 1895 OXT TYR A 125 20.074 3.241 -26.045 1.00 0.00 O ATOM 0 H TYR A 125 18.942 2.899 -27.915 1.00 0.00 H new ATOM 0 HA TYR A 125 18.591 0.387 -26.414 1.00 0.00 H new ATOM 0 HB2 TYR A 125 20.991 1.174 -28.085 1.00 0.00 H new ATOM 0 HB3 TYR A 125 21.012 -0.063 -26.844 1.00 0.00 H new ATOM 0 HD1 TYR A 125 18.992 -1.884 -27.145 1.00 0.00 H new ATOM 0 HD2 TYR A 125 20.807 0.431 -30.290 1.00 0.00 H new ATOM 0 HE1 TYR A 125 18.301 -3.602 -28.797 1.00 0.00 H new ATOM 0 HE2 TYR A 125 20.139 -1.293 -31.949 1.00 0.00 H new ATOM 0 HH TYR A 125 19.113 -3.224 -32.300 1.00 0.00 H new TER 1905 TYR A 125