USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 756 hydrogens (18 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 103 ASN : amide:sc= 0.0063 K(o=0.02,f=-0.6) USER MOD Set 1.2: A 130 NCZ O6 : rot 162:sc= 0.0139 USER MOD Set 2.1: A 60 ASN : amide:sc= -0.287 X(o=0.92,f=0.77) USER MOD Set 2.2: A 62 SER OG : rot 51:sc= 1.21 USER MOD Set 3.1: A 36 GLN : amide:sc= 0.115 K(o=-14,f=-17!) USER MOD Set 3.2: A 48 ASN : amide:sc= -13.8! C(o=-14!,f=-19!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot -74:sc= 0.178! USER MOD Single : A 6 THR OG1 : rot 150:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= -0.422 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 55:sc= 1.57 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -22.6! C(o=-23!,f=-30!) USER MOD Single : A 30 THR OG1 : rot 112:sc= 1.12 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.0448 USER MOD Single : A 42 THR OG1 : rot -60:sc= 0.195 USER MOD Single : A 53 SER OG : rot -150:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 140:sc= -4.96! USER MOD Single : A 64 SER OG : rot 54:sc= 0.0146 USER MOD Single : A 65 THR OG1 : rot -90:sc= -0.166 USER MOD Single : A 66 SER OG : rot 21:sc= 0.269 USER MOD Single : A 68 THR OG1 : rot 180:sc= -1.13 USER MOD Single : A 72 SER OG : rot -64:sc= 0.878 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 54:sc= 0.496 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.179 K(o=-0.18,f=-1.8!) USER MOD Single : A 98 SER OG : rot -51:sc= -1 USER MOD Single : A 111 SER OG : rot -98:sc= -0.224 USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 130 NCZ O2 : rot -118:sc= 0.823 USER MOD Single : A 130 NCZ O5 : rot 28:sc= 0.0809 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.110 -3.199 13.624 1.00 0.00 N ATOM 2 CA ALA A 1 -15.421 -3.618 12.416 1.00 0.00 C ATOM 3 C ALA A 1 -15.139 -2.394 11.542 1.00 0.00 C ATOM 4 O ALA A 1 -16.029 -1.907 10.844 1.00 0.00 O ATOM 5 CB ALA A 1 -16.258 -4.673 11.689 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.303 -4.030 14.220 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.514 -2.528 14.149 1.00 0.00 H new ATOM 0 H3 ALA A 1 -17.008 -2.739 13.370 1.00 0.00 H new ATOM 0 HA ALA A 1 -14.462 -4.075 12.662 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -15.740 -4.987 10.783 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -16.403 -5.535 12.341 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.227 -4.250 11.425 1.00 0.00 H new ATOM 11 N ALA A 2 -13.902 -1.929 11.610 1.00 0.00 N ATOM 12 CA ALA A 2 -13.493 -0.771 10.835 1.00 0.00 C ATOM 13 C ALA A 2 -11.979 -0.812 10.623 1.00 0.00 C ATOM 14 O ALA A 2 -11.282 0.160 10.913 1.00 0.00 O ATOM 15 CB ALA A 2 -13.948 0.506 11.546 1.00 0.00 C ATOM 0 H ALA A 2 -13.168 -2.334 12.191 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.963 -0.782 9.852 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.641 1.375 10.964 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.033 0.500 11.645 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.494 0.553 12.536 1.00 0.00 H new ATOM 21 N PRO A 3 -11.502 -1.975 10.108 1.00 0.00 N ATOM 22 CA PRO A 3 -10.081 -2.156 9.854 1.00 0.00 C ATOM 23 C PRO A 3 -9.646 -1.385 8.606 1.00 0.00 C ATOM 24 O PRO A 3 -8.451 -1.220 8.361 1.00 0.00 O ATOM 25 CB PRO A 3 -9.894 -3.658 9.719 1.00 0.00 C ATOM 26 CG PRO A 3 -11.276 -4.227 9.437 1.00 0.00 C ATOM 27 CD PRO A 3 -12.299 -3.146 9.753 1.00 0.00 C ATOM 0 HA PRO A 3 -9.456 -1.761 10.655 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.202 -3.894 8.911 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.475 -4.083 10.631 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.356 -4.536 8.395 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.456 -5.113 10.046 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.940 -2.944 8.895 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.951 -3.445 10.574 1.00 0.00 H new ATOM 35 N THR A 4 -10.636 -0.929 7.855 1.00 0.00 N ATOM 36 CA THR A 4 -10.370 -0.177 6.640 1.00 0.00 C ATOM 37 C THR A 4 -9.631 -1.052 5.624 1.00 0.00 C ATOM 38 O THR A 4 -9.852 -2.258 5.561 1.00 0.00 O ATOM 39 CB THR A 4 -9.602 1.088 7.025 1.00 0.00 C ATOM 40 OG1 THR A 4 -8.232 0.699 6.957 1.00 0.00 O ATOM 41 CG2 THR A 4 -9.805 1.472 8.492 1.00 0.00 C ATOM 0 H THR A 4 -11.625 -1.065 8.064 1.00 0.00 H new ATOM 0 HA THR A 4 -11.296 0.125 6.150 1.00 0.00 H new ATOM 0 HB THR A 4 -9.918 1.912 6.385 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.013 0.138 7.730 1.00 0.00 H new ATOM 0 HG21 THR A 4 -9.238 2.376 8.713 1.00 0.00 H new ATOM 0 HG22 THR A 4 -10.864 1.653 8.678 1.00 0.00 H new ATOM 0 HG23 THR A 4 -9.458 0.661 9.132 1.00 0.00 H new ATOM 49 N ALA A 5 -8.765 -0.406 4.854 1.00 0.00 N ATOM 50 CA ALA A 5 -7.990 -1.109 3.847 1.00 0.00 C ATOM 51 C ALA A 5 -6.840 -1.857 4.521 1.00 0.00 C ATOM 52 O ALA A 5 -5.896 -1.241 5.012 1.00 0.00 O ATOM 53 CB ALA A 5 -7.500 -0.112 2.794 1.00 0.00 C ATOM 0 H ALA A 5 -8.584 0.596 4.908 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.607 -1.848 3.336 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -6.918 -0.638 2.037 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.357 0.370 2.323 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -6.876 0.644 3.271 1.00 0.00 H new ATOM 59 N THR A 6 -6.959 -3.177 4.526 1.00 0.00 N ATOM 60 CA THR A 6 -5.939 -4.017 5.133 1.00 0.00 C ATOM 61 C THR A 6 -5.802 -5.332 4.365 1.00 0.00 C ATOM 62 O THR A 6 -6.777 -5.830 3.800 1.00 0.00 O ATOM 63 CB THR A 6 -6.303 -4.210 6.607 1.00 0.00 C ATOM 64 OG1 THR A 6 -7.726 -4.282 6.607 1.00 0.00 O ATOM 65 CG2 THR A 6 -5.992 -2.976 7.454 1.00 0.00 C ATOM 0 H THR A 6 -7.745 -3.685 4.120 1.00 0.00 H new ATOM 0 HA THR A 6 -4.958 -3.545 5.083 1.00 0.00 H new ATOM 0 HB THR A 6 -5.761 -5.068 7.005 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.025 -4.852 7.346 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.269 -3.167 8.491 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.926 -2.756 7.398 1.00 0.00 H new ATOM 0 HG23 THR A 6 -6.559 -2.124 7.078 1.00 0.00 H new ATOM 73 N VAL A 7 -4.587 -5.857 4.365 1.00 0.00 N ATOM 74 CA VAL A 7 -4.311 -7.107 3.674 1.00 0.00 C ATOM 75 C VAL A 7 -4.735 -8.278 4.559 1.00 0.00 C ATOM 76 O VAL A 7 -4.527 -8.254 5.771 1.00 0.00 O ATOM 77 CB VAL A 7 -2.837 -7.165 3.268 1.00 0.00 C ATOM 78 CG1 VAL A 7 -2.626 -8.135 2.104 1.00 0.00 C ATOM 79 CG2 VAL A 7 -2.307 -5.771 2.924 1.00 0.00 C ATOM 0 H VAL A 7 -3.781 -5.441 4.832 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.890 -7.171 2.753 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.270 -7.538 4.121 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.570 -8.157 1.836 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.946 -9.134 2.400 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.212 -7.806 1.246 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.257 -5.841 2.639 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.881 -5.358 2.095 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.404 -5.120 3.793 1.00 0.00 H new ATOM 89 N THR A 8 -5.322 -9.280 3.920 1.00 0.00 N ATOM 90 CA THR A 8 -5.776 -10.462 4.633 1.00 0.00 C ATOM 91 C THR A 8 -4.774 -10.844 5.724 1.00 0.00 C ATOM 92 O THR A 8 -5.134 -10.947 6.896 1.00 0.00 O ATOM 93 CB THR A 8 -6.013 -11.573 3.609 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.431 -11.684 3.538 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.557 -12.942 4.114 1.00 0.00 C ATOM 0 H THR A 8 -5.494 -9.297 2.915 1.00 0.00 H new ATOM 0 HA THR A 8 -6.717 -10.274 5.151 1.00 0.00 H new ATOM 0 HB THR A 8 -5.486 -11.333 2.686 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.673 -12.382 2.894 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.748 -13.694 3.349 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.490 -12.912 4.335 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.107 -13.198 5.019 1.00 0.00 H new ATOM 103 N PRO A 9 -3.502 -11.050 5.289 1.00 0.00 N ATOM 104 CA PRO A 9 -2.445 -11.418 6.215 1.00 0.00 C ATOM 105 C PRO A 9 -2.002 -10.213 7.050 1.00 0.00 C ATOM 106 O PRO A 9 -2.740 -9.236 7.177 1.00 0.00 O ATOM 107 CB PRO A 9 -1.333 -11.975 5.341 1.00 0.00 C ATOM 108 CG PRO A 9 -1.617 -11.472 3.935 1.00 0.00 C ATOM 109 CD PRO A 9 -3.037 -10.935 3.910 1.00 0.00 C ATOM 0 HA PRO A 9 -2.767 -12.158 6.948 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.357 -11.636 5.687 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.321 -13.065 5.371 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.909 -10.691 3.659 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.501 -12.278 3.211 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.063 -9.900 3.569 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.666 -11.511 3.231 1.00 0.00 H new ATOM 117 N SER A 10 -0.801 -10.323 7.597 1.00 0.00 N ATOM 118 CA SER A 10 -0.252 -9.257 8.417 1.00 0.00 C ATOM 119 C SER A 10 1.276 -9.277 8.348 1.00 0.00 C ATOM 120 O SER A 10 1.896 -8.291 7.955 1.00 0.00 O ATOM 121 CB SER A 10 -0.719 -9.380 9.870 1.00 0.00 C ATOM 122 OG SER A 10 -1.260 -8.158 10.363 1.00 0.00 O ATOM 0 H SER A 10 -0.192 -11.134 7.488 1.00 0.00 H new ATOM 0 HA SER A 10 -0.615 -8.306 8.027 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.472 -10.165 9.943 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.120 -9.683 10.496 1.00 0.00 H new ATOM 0 HG SER A 10 -1.548 -8.279 11.292 1.00 0.00 H new ATOM 128 N SER A 11 1.838 -10.412 8.736 1.00 0.00 N ATOM 129 CA SER A 11 3.283 -10.573 8.724 1.00 0.00 C ATOM 130 C SER A 11 3.655 -11.899 8.055 1.00 0.00 C ATOM 131 O SER A 11 2.789 -12.739 7.810 1.00 0.00 O ATOM 132 CB SER A 11 3.857 -10.514 10.140 1.00 0.00 C ATOM 133 OG SER A 11 4.886 -11.478 10.341 1.00 0.00 O ATOM 0 H SER A 11 1.320 -11.229 9.060 1.00 0.00 H new ATOM 0 HA SER A 11 3.714 -9.750 8.153 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.253 -9.516 10.329 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.058 -10.681 10.862 1.00 0.00 H new ATOM 0 HG SER A 11 5.227 -11.406 11.257 1.00 0.00 H new ATOM 139 N GLY A 12 4.942 -12.045 7.781 1.00 0.00 N ATOM 140 CA GLY A 12 5.439 -13.253 7.146 1.00 0.00 C ATOM 141 C GLY A 12 5.077 -13.281 5.659 1.00 0.00 C ATOM 142 O GLY A 12 4.870 -14.349 5.087 1.00 0.00 O ATOM 0 H GLY A 12 5.656 -11.347 7.987 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.521 -13.310 7.261 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.019 -14.128 7.642 1.00 0.00 H new ATOM 146 N LEU A 13 5.012 -12.093 5.077 1.00 0.00 N ATOM 147 CA LEU A 13 4.680 -11.966 3.667 1.00 0.00 C ATOM 148 C LEU A 13 5.962 -12.040 2.837 1.00 0.00 C ATOM 149 O LEU A 13 7.061 -11.922 3.372 1.00 0.00 O ATOM 150 CB LEU A 13 3.860 -10.699 3.422 1.00 0.00 C ATOM 151 CG LEU A 13 2.475 -10.657 4.076 1.00 0.00 C ATOM 152 CD1 LEU A 13 1.884 -9.247 4.020 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.543 -11.696 3.449 1.00 0.00 C ATOM 0 H LEU A 13 5.184 -11.209 5.556 1.00 0.00 H new ATOM 0 HA LEU A 13 4.046 -12.794 3.349 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.434 -9.844 3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.736 -10.573 2.346 1.00 0.00 H new ATOM 0 HG LEU A 13 2.585 -10.916 5.129 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.901 -9.246 4.491 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.541 -8.556 4.549 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.789 -8.933 2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.566 -11.646 3.930 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.434 -11.491 2.384 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.964 -12.692 3.585 1.00 0.00 H new ATOM 165 N SER A 14 5.777 -12.235 1.539 1.00 0.00 N ATOM 166 CA SER A 14 6.904 -12.325 0.628 1.00 0.00 C ATOM 167 C SER A 14 6.716 -11.353 -0.538 1.00 0.00 C ATOM 168 O SER A 14 5.587 -11.016 -0.894 1.00 0.00 O ATOM 169 CB SER A 14 7.079 -13.752 0.106 1.00 0.00 C ATOM 170 OG SER A 14 8.425 -14.024 -0.269 1.00 0.00 O ATOM 0 H SER A 14 4.863 -12.333 1.097 1.00 0.00 H new ATOM 0 HA SER A 14 7.807 -12.054 1.176 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.767 -14.459 0.874 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.426 -13.906 -0.753 1.00 0.00 H new ATOM 0 HG SER A 14 8.494 -14.946 -0.595 1.00 0.00 H new ATOM 176 N ASP A 15 7.835 -10.927 -1.102 1.00 0.00 N ATOM 177 CA ASP A 15 7.808 -10.002 -2.219 1.00 0.00 C ATOM 178 C ASP A 15 7.006 -10.617 -3.367 1.00 0.00 C ATOM 179 O ASP A 15 7.576 -11.199 -4.287 1.00 0.00 O ATOM 180 CB ASP A 15 9.220 -9.712 -2.733 1.00 0.00 C ATOM 181 CG ASP A 15 9.293 -9.203 -4.174 1.00 0.00 C ATOM 182 OD1 ASP A 15 8.884 -8.041 -4.385 1.00 0.00 O ATOM 183 OD2 ASP A 15 9.756 -9.987 -5.030 1.00 0.00 O ATOM 0 H ASP A 15 8.770 -11.207 -0.804 1.00 0.00 H new ATOM 0 HA ASP A 15 7.353 -9.074 -1.874 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.684 -8.973 -2.079 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.813 -10.623 -2.655 1.00 0.00 H new ATOM 189 N GLY A 16 5.693 -10.468 -3.275 1.00 0.00 N ATOM 190 CA GLY A 16 4.804 -11.003 -4.294 1.00 0.00 C ATOM 191 C GLY A 16 3.724 -11.889 -3.669 1.00 0.00 C ATOM 192 O GLY A 16 3.293 -12.868 -4.277 1.00 0.00 O ATOM 0 H GLY A 16 5.222 -9.984 -2.510 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.336 -10.184 -4.840 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.380 -11.581 -5.017 1.00 0.00 H new ATOM 196 N THR A 17 3.316 -11.510 -2.467 1.00 0.00 N ATOM 197 CA THR A 17 2.295 -12.259 -1.755 1.00 0.00 C ATOM 198 C THR A 17 0.901 -11.776 -2.159 1.00 0.00 C ATOM 199 O THR A 17 0.453 -10.721 -1.714 1.00 0.00 O ATOM 200 CB THR A 17 2.572 -12.128 -0.256 1.00 0.00 C ATOM 201 OG1 THR A 17 3.859 -12.719 -0.087 1.00 0.00 O ATOM 202 CG2 THR A 17 1.646 -13.004 0.590 1.00 0.00 C ATOM 0 H THR A 17 3.674 -10.695 -1.969 1.00 0.00 H new ATOM 0 HA THR A 17 2.327 -13.317 -2.015 1.00 0.00 H new ATOM 0 HB THR A 17 2.459 -11.086 0.043 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.501 -12.280 -0.683 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.885 -12.873 1.645 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.610 -12.714 0.414 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.782 -14.050 0.314 1.00 0.00 H new ATOM 210 N VAL A 18 0.255 -12.571 -2.999 1.00 0.00 N ATOM 211 CA VAL A 18 -1.079 -12.238 -3.470 1.00 0.00 C ATOM 212 C VAL A 18 -2.096 -12.559 -2.372 1.00 0.00 C ATOM 213 O VAL A 18 -2.166 -13.690 -1.897 1.00 0.00 O ATOM 214 CB VAL A 18 -1.368 -12.967 -4.784 1.00 0.00 C ATOM 215 CG1 VAL A 18 -2.680 -12.481 -5.404 1.00 0.00 C ATOM 216 CG2 VAL A 18 -0.204 -12.808 -5.764 1.00 0.00 C ATOM 0 H VAL A 18 0.631 -13.445 -3.366 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.154 -11.172 -3.683 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.477 -14.029 -4.563 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.861 -13.015 -6.337 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.501 -12.669 -4.712 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.613 -11.412 -5.605 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.434 -13.335 -6.690 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.050 -11.750 -5.977 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.702 -13.225 -5.324 1.00 0.00 H new ATOM 226 N VAL A 19 -2.860 -11.541 -2.003 1.00 0.00 N ATOM 227 CA VAL A 19 -3.870 -11.700 -0.971 1.00 0.00 C ATOM 228 C VAL A 19 -5.034 -10.748 -1.251 1.00 0.00 C ATOM 229 O VAL A 19 -5.027 -10.031 -2.252 1.00 0.00 O ATOM 230 CB VAL A 19 -3.247 -11.491 0.410 1.00 0.00 C ATOM 231 CG1 VAL A 19 -2.762 -12.816 1.000 1.00 0.00 C ATOM 232 CG2 VAL A 19 -2.108 -10.471 0.348 1.00 0.00 C ATOM 0 H VAL A 19 -2.800 -10.603 -2.400 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.269 -12.714 -0.982 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.019 -11.094 1.069 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.324 -12.638 1.982 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.604 -13.501 1.097 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.012 -13.255 0.342 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.682 -10.340 1.343 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.336 -10.829 -0.333 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.494 -9.516 -0.010 1.00 0.00 H new ATOM 242 N LYS A 20 -6.003 -10.767 -0.348 1.00 0.00 N ATOM 243 CA LYS A 20 -7.171 -9.913 -0.486 1.00 0.00 C ATOM 244 C LYS A 20 -7.050 -8.729 0.475 1.00 0.00 C ATOM 245 O LYS A 20 -6.696 -8.905 1.641 1.00 0.00 O ATOM 246 CB LYS A 20 -8.455 -10.727 -0.301 1.00 0.00 C ATOM 247 CG LYS A 20 -9.693 -9.855 -0.526 1.00 0.00 C ATOM 248 CD LYS A 20 -10.973 -10.631 -0.208 1.00 0.00 C ATOM 249 CE LYS A 20 -11.731 -9.983 0.954 1.00 0.00 C ATOM 250 NZ LYS A 20 -12.530 -10.997 1.679 1.00 0.00 N ATOM 0 H LYS A 20 -6.004 -11.360 0.482 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.224 -9.501 -1.494 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.463 -11.564 -0.999 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.481 -11.150 0.703 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.636 -8.966 0.103 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.718 -9.512 -1.560 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.612 -10.664 -1.091 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.725 -11.662 0.044 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.026 -9.510 1.637 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.385 -9.197 0.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.038 -10.542 2.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.215 -11.430 1.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.898 -11.732 2.055 1.00 0.00 H new ATOM 264 N VAL A 21 -7.349 -7.549 -0.048 1.00 0.00 N ATOM 265 CA VAL A 21 -7.276 -6.337 0.750 1.00 0.00 C ATOM 266 C VAL A 21 -8.680 -5.751 0.908 1.00 0.00 C ATOM 267 O VAL A 21 -9.208 -5.135 -0.016 1.00 0.00 O ATOM 268 CB VAL A 21 -6.286 -5.354 0.119 1.00 0.00 C ATOM 269 CG1 VAL A 21 -5.991 -4.190 1.068 1.00 0.00 C ATOM 270 CG2 VAL A 21 -4.996 -6.066 -0.294 1.00 0.00 C ATOM 0 H VAL A 21 -7.642 -7.406 -1.014 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.901 -6.559 1.749 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.745 -4.945 -0.781 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.285 -3.506 0.597 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.916 -3.659 1.292 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.561 -4.575 1.993 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.310 -5.346 -0.739 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.531 -6.515 0.584 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.227 -6.845 -1.021 1.00 0.00 H new ATOM 280 N ALA A 22 -9.246 -5.966 2.088 1.00 0.00 N ATOM 281 CA ALA A 22 -10.578 -5.467 2.380 1.00 0.00 C ATOM 282 C ALA A 22 -10.477 -4.044 2.931 1.00 0.00 C ATOM 283 O ALA A 22 -9.648 -3.768 3.798 1.00 0.00 O ATOM 284 CB ALA A 22 -11.279 -6.419 3.350 1.00 0.00 C ATOM 0 H ALA A 22 -8.806 -6.479 2.852 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.179 -5.426 1.472 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.279 -6.044 3.569 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.353 -7.408 2.899 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.705 -6.484 4.275 1.00 0.00 H new ATOM 290 N GLY A 23 -11.331 -3.177 2.408 1.00 0.00 N ATOM 291 CA GLY A 23 -11.347 -1.788 2.836 1.00 0.00 C ATOM 292 C GLY A 23 -12.712 -1.410 3.418 1.00 0.00 C ATOM 293 O GLY A 23 -13.431 -0.593 2.843 1.00 0.00 O ATOM 0 H GLY A 23 -12.018 -3.410 1.691 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.571 -1.625 3.584 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.116 -1.140 1.990 1.00 0.00 H new ATOM 297 N ALA A 24 -13.028 -2.023 4.550 1.00 0.00 N ATOM 298 CA ALA A 24 -14.292 -1.761 5.214 1.00 0.00 C ATOM 299 C ALA A 24 -14.230 -0.393 5.898 1.00 0.00 C ATOM 300 O ALA A 24 -13.411 -0.177 6.788 1.00 0.00 O ATOM 301 CB ALA A 24 -14.596 -2.891 6.200 1.00 0.00 C ATOM 0 H ALA A 24 -12.430 -2.700 5.023 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.106 -1.732 4.490 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.545 -2.694 6.698 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.659 -3.837 5.662 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.801 -2.949 6.944 1.00 0.00 H new ATOM 307 N GLY A 25 -15.107 0.495 5.454 1.00 0.00 N ATOM 308 CA GLY A 25 -15.164 1.835 6.010 1.00 0.00 C ATOM 309 C GLY A 25 -13.967 2.671 5.550 1.00 0.00 C ATOM 310 O GLY A 25 -13.381 3.411 6.338 1.00 0.00 O ATOM 0 H GLY A 25 -15.785 0.312 4.714 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -16.091 2.321 5.704 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.177 1.781 7.099 1.00 0.00 H new ATOM 314 N LEU A 26 -13.641 2.524 4.274 1.00 0.00 N ATOM 315 CA LEU A 26 -12.525 3.256 3.699 1.00 0.00 C ATOM 316 C LEU A 26 -13.061 4.394 2.830 1.00 0.00 C ATOM 317 O LEU A 26 -13.362 5.477 3.334 1.00 0.00 O ATOM 318 CB LEU A 26 -11.587 2.304 2.955 1.00 0.00 C ATOM 319 CG LEU A 26 -10.219 2.875 2.566 1.00 0.00 C ATOM 320 CD1 LEU A 26 -10.356 4.300 2.025 1.00 0.00 C ATOM 321 CD2 LEU A 26 -9.242 2.798 3.738 1.00 0.00 C ATOM 0 H LEU A 26 -14.130 1.910 3.623 1.00 0.00 H new ATOM 0 HA LEU A 26 -11.922 3.711 4.485 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -11.427 1.423 3.577 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.089 1.967 2.048 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.807 2.264 1.763 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.372 4.683 1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.997 4.294 1.143 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.797 4.939 2.790 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.279 3.209 3.436 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.635 3.372 4.577 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.114 1.758 4.038 1.00 0.00 H new ATOM 333 N GLN A 27 -13.166 4.114 1.539 1.00 0.00 N ATOM 334 CA GLN A 27 -13.660 5.101 0.596 1.00 0.00 C ATOM 335 C GLN A 27 -15.093 5.504 0.950 1.00 0.00 C ATOM 336 O GLN A 27 -15.607 6.495 0.438 1.00 0.00 O ATOM 337 CB GLN A 27 -13.579 4.578 -0.840 1.00 0.00 C ATOM 338 CG GLN A 27 -12.228 4.923 -1.473 1.00 0.00 C ATOM 339 CD GLN A 27 -12.172 6.398 -1.874 1.00 0.00 C ATOM 340 OE1 GLN A 27 -12.449 6.771 -3.003 1.00 0.00 O ATOM 341 NE2 GLN A 27 -11.799 7.213 -0.892 1.00 0.00 N ATOM 0 H GLN A 27 -12.917 3.216 1.124 1.00 0.00 H new ATOM 0 HA GLN A 27 -13.026 5.985 0.663 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.722 3.497 -0.846 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.384 5.010 -1.434 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -11.426 4.703 -0.769 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -12.063 4.297 -2.350 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.581 6.835 0.030 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -11.730 8.217 -1.061 1.00 0.00 H new ATOM 350 N ALA A 28 -15.695 4.713 1.825 1.00 0.00 N ATOM 351 CA ALA A 28 -17.059 4.973 2.256 1.00 0.00 C ATOM 352 C ALA A 28 -18.014 4.726 1.087 1.00 0.00 C ATOM 353 O ALA A 28 -19.203 5.032 1.176 1.00 0.00 O ATOM 354 CB ALA A 28 -17.159 6.401 2.798 1.00 0.00 C ATOM 0 H ALA A 28 -15.264 3.891 2.248 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.343 4.297 3.062 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -18.181 6.597 3.121 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -16.482 6.517 3.644 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.885 7.108 2.015 1.00 0.00 H new ATOM 360 N GLY A 29 -17.460 4.174 0.017 1.00 0.00 N ATOM 361 CA GLY A 29 -18.247 3.882 -1.167 1.00 0.00 C ATOM 362 C GLY A 29 -17.729 4.662 -2.377 1.00 0.00 C ATOM 363 O GLY A 29 -18.268 4.542 -3.476 1.00 0.00 O ATOM 0 H GLY A 29 -16.474 3.921 -0.054 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -18.212 2.813 -1.377 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -19.291 4.137 -0.986 1.00 0.00 H new ATOM 367 N THR A 30 -16.685 5.443 -2.134 1.00 0.00 N ATOM 368 CA THR A 30 -16.086 6.241 -3.190 1.00 0.00 C ATOM 369 C THR A 30 -15.154 5.382 -4.046 1.00 0.00 C ATOM 370 O THR A 30 -15.292 4.160 -4.084 1.00 0.00 O ATOM 371 CB THR A 30 -15.386 7.436 -2.540 1.00 0.00 C ATOM 372 OG1 THR A 30 -16.276 7.837 -1.501 1.00 0.00 O ATOM 373 CG2 THR A 30 -15.322 8.653 -3.466 1.00 0.00 C ATOM 0 H THR A 30 -16.240 5.539 -1.221 1.00 0.00 H new ATOM 0 HA THR A 30 -16.843 6.623 -3.875 1.00 0.00 H new ATOM 0 HB THR A 30 -14.376 7.149 -2.248 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.864 7.657 -0.630 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.816 9.472 -2.956 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.772 8.394 -4.370 1.00 0.00 H new ATOM 0 HG23 THR A 30 -16.333 8.961 -3.732 1.00 0.00 H new ATOM 381 N ALA A 31 -14.227 6.054 -4.710 1.00 0.00 N ATOM 382 CA ALA A 31 -13.273 5.368 -5.565 1.00 0.00 C ATOM 383 C ALA A 31 -11.897 6.024 -5.416 1.00 0.00 C ATOM 384 O ALA A 31 -11.718 7.184 -5.782 1.00 0.00 O ATOM 385 CB ALA A 31 -13.773 5.384 -7.010 1.00 0.00 C ATOM 0 H ALA A 31 -14.115 7.067 -4.674 1.00 0.00 H new ATOM 0 HA ALA A 31 -13.175 4.324 -5.268 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -13.056 4.869 -7.649 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.737 4.879 -7.067 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.883 6.415 -7.346 1.00 0.00 H new ATOM 391 N TYR A 32 -10.963 5.253 -4.879 1.00 0.00 N ATOM 392 CA TYR A 32 -9.613 5.745 -4.676 1.00 0.00 C ATOM 393 C TYR A 32 -8.592 4.851 -5.383 1.00 0.00 C ATOM 394 O TYR A 32 -8.964 3.915 -6.090 1.00 0.00 O ATOM 395 CB TYR A 32 -9.363 5.690 -3.168 1.00 0.00 C ATOM 396 CG TYR A 32 -9.538 7.035 -2.459 1.00 0.00 C ATOM 397 CD1 TYR A 32 -10.236 8.054 -3.075 1.00 0.00 C ATOM 398 CD2 TYR A 32 -8.995 7.228 -1.205 1.00 0.00 C ATOM 399 CE1 TYR A 32 -10.401 9.318 -2.405 1.00 0.00 C ATOM 400 CE2 TYR A 32 -9.160 8.494 -0.536 1.00 0.00 C ATOM 401 CZ TYR A 32 -9.854 9.475 -1.171 1.00 0.00 C ATOM 402 OH TYR A 32 -10.009 10.672 -0.540 1.00 0.00 O ATOM 0 H TYR A 32 -11.116 4.290 -4.578 1.00 0.00 H new ATOM 0 HA TYR A 32 -9.508 6.752 -5.079 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -10.045 4.965 -2.723 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.351 5.326 -2.991 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.658 7.904 -4.058 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -8.447 6.431 -0.725 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -10.947 10.123 -2.873 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -8.742 8.659 0.446 1.00 0.00 H new ATOM 0 HH TYR A 32 -9.567 10.641 0.334 1.00 0.00 H new ATOM 412 N ASP A 33 -7.324 5.168 -5.167 1.00 0.00 N ATOM 413 CA ASP A 33 -6.247 4.404 -5.774 1.00 0.00 C ATOM 414 C ASP A 33 -5.635 3.472 -4.726 1.00 0.00 C ATOM 415 O ASP A 33 -5.254 3.914 -3.644 1.00 0.00 O ATOM 416 CB ASP A 33 -5.141 5.327 -6.290 1.00 0.00 C ATOM 417 CG ASP A 33 -5.108 5.510 -7.808 1.00 0.00 C ATOM 418 OD1 ASP A 33 -6.130 5.170 -8.443 1.00 0.00 O ATOM 419 OD2 ASP A 33 -4.064 5.990 -8.300 1.00 0.00 O ATOM 0 H ASP A 33 -7.018 5.944 -4.580 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.663 3.838 -6.608 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.258 6.305 -5.824 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.178 4.932 -5.966 1.00 0.00 H new ATOM 425 N VAL A 34 -5.561 2.199 -5.085 1.00 0.00 N ATOM 426 CA VAL A 34 -5.002 1.200 -4.189 1.00 0.00 C ATOM 427 C VAL A 34 -3.498 1.077 -4.445 1.00 0.00 C ATOM 428 O VAL A 34 -3.068 0.959 -5.591 1.00 0.00 O ATOM 429 CB VAL A 34 -5.746 -0.126 -4.354 1.00 0.00 C ATOM 430 CG1 VAL A 34 -4.780 -1.256 -4.719 1.00 0.00 C ATOM 431 CG2 VAL A 34 -6.543 -0.469 -3.093 1.00 0.00 C ATOM 0 H VAL A 34 -5.879 1.836 -5.984 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.132 1.503 -3.150 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.453 -0.013 -5.176 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.335 -2.187 -4.830 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.279 -1.018 -5.657 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.037 -1.369 -3.930 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.062 -1.416 -3.237 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.864 -0.553 -2.245 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.271 0.318 -2.898 1.00 0.00 H new ATOM 441 N GLY A 35 -2.743 1.109 -3.357 1.00 0.00 N ATOM 442 CA GLY A 35 -1.296 1.003 -3.449 1.00 0.00 C ATOM 443 C GLY A 35 -0.653 1.050 -2.060 1.00 0.00 C ATOM 444 O GLY A 35 -1.187 1.678 -1.148 1.00 0.00 O ATOM 0 H GLY A 35 -3.105 1.207 -2.408 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.027 0.071 -3.947 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.906 1.816 -4.062 1.00 0.00 H new ATOM 448 N GLN A 36 0.481 0.376 -1.946 1.00 0.00 N ATOM 449 CA GLN A 36 1.202 0.335 -0.685 1.00 0.00 C ATOM 450 C GLN A 36 2.263 1.436 -0.642 1.00 0.00 C ATOM 451 O GLN A 36 3.264 1.367 -1.351 1.00 0.00 O ATOM 452 CB GLN A 36 1.831 -1.041 -0.458 1.00 0.00 C ATOM 453 CG GLN A 36 3.038 -1.249 -1.378 1.00 0.00 C ATOM 454 CD GLN A 36 2.929 -2.575 -2.135 1.00 0.00 C ATOM 455 OE1 GLN A 36 2.301 -3.521 -1.691 1.00 0.00 O ATOM 456 NE2 GLN A 36 3.575 -2.590 -3.297 1.00 0.00 N ATOM 0 H GLN A 36 0.919 -0.146 -2.705 1.00 0.00 H new ATOM 0 HA GLN A 36 0.491 0.512 0.122 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.141 -1.136 0.583 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.090 -1.819 -0.642 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.104 -0.425 -2.088 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.955 -1.237 -0.789 1.00 0.00 H new ATOM 0 HE21 GLN A 36 4.082 -1.762 -3.609 1.00 0.00 H new ATOM 0 HE22 GLN A 36 3.564 -3.430 -3.876 1.00 0.00 H new ATOM 465 N CYS A 37 2.004 2.430 0.198 1.00 0.00 N ATOM 466 CA CYS A 37 2.925 3.545 0.342 1.00 0.00 C ATOM 467 C CYS A 37 3.618 3.423 1.701 1.00 0.00 C ATOM 468 O CYS A 37 3.052 2.870 2.643 1.00 0.00 O ATOM 469 CB CYS A 37 2.212 4.890 0.183 1.00 0.00 C ATOM 470 SG CYS A 37 3.191 6.182 -0.663 1.00 0.00 S ATOM 0 H CYS A 37 1.171 2.485 0.784 1.00 0.00 H new ATOM 0 HA CYS A 37 3.673 3.508 -0.450 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.288 4.732 -0.373 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.931 5.255 1.171 1.00 0.00 H new ATOM 475 N ALA A 38 4.831 3.950 1.760 1.00 0.00 N ATOM 476 CA ALA A 38 5.607 3.905 2.988 1.00 0.00 C ATOM 477 C ALA A 38 6.856 4.777 2.828 1.00 0.00 C ATOM 478 O ALA A 38 7.238 5.121 1.711 1.00 0.00 O ATOM 479 CB ALA A 38 5.950 2.454 3.326 1.00 0.00 C ATOM 0 H ALA A 38 5.296 4.411 0.978 1.00 0.00 H new ATOM 0 HA ALA A 38 5.028 4.304 3.821 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.532 2.423 4.247 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.030 1.884 3.458 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.533 2.019 2.514 1.00 0.00 H new ATOM 485 N TRP A 39 7.456 5.108 3.961 1.00 0.00 N ATOM 486 CA TRP A 39 8.652 5.934 3.961 1.00 0.00 C ATOM 487 C TRP A 39 9.821 5.068 3.484 1.00 0.00 C ATOM 488 O TRP A 39 10.256 4.161 4.193 1.00 0.00 O ATOM 489 CB TRP A 39 8.890 6.554 5.340 1.00 0.00 C ATOM 490 CG TRP A 39 9.090 5.528 6.458 1.00 0.00 C ATOM 491 CD1 TRP A 39 10.178 4.794 6.717 1.00 0.00 C ATOM 492 CD2 TRP A 39 8.125 5.155 7.462 1.00 0.00 C ATOM 493 NE1 TRP A 39 9.986 3.974 7.812 1.00 0.00 N ATOM 494 CE2 TRP A 39 8.699 4.203 8.280 1.00 0.00 C ATOM 495 CE3 TRP A 39 6.811 5.609 7.676 1.00 0.00 C ATOM 496 CZ2 TRP A 39 8.032 3.620 9.364 1.00 0.00 C ATOM 497 CZ3 TRP A 39 6.157 5.016 8.762 1.00 0.00 C ATOM 498 CH2 TRP A 39 6.720 4.056 9.595 1.00 0.00 C ATOM 0 H TRP A 39 7.137 4.820 4.886 1.00 0.00 H new ATOM 0 HA TRP A 39 8.541 6.777 3.279 1.00 0.00 H new ATOM 0 HB2 TRP A 39 9.768 7.198 5.291 1.00 0.00 H new ATOM 0 HB3 TRP A 39 8.042 7.190 5.592 1.00 0.00 H new ATOM 0 HD1 TRP A 39 11.091 4.837 6.142 1.00 0.00 H new ATOM 0 HE1 TRP A 39 10.664 3.321 8.204 1.00 0.00 H new ATOM 0 HE3 TRP A 39 6.344 6.356 7.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 8.503 2.875 9.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 5.143 5.326 8.967 1.00 0.00 H new ATOM 0 HH2 TRP A 39 6.149 3.648 10.416 1.00 0.00 H new ATOM 509 N VAL A 40 10.298 5.381 2.289 1.00 0.00 N ATOM 510 CA VAL A 40 11.408 4.643 1.709 1.00 0.00 C ATOM 511 C VAL A 40 12.708 5.414 1.948 1.00 0.00 C ATOM 512 O VAL A 40 13.700 4.841 2.394 1.00 0.00 O ATOM 513 CB VAL A 40 11.138 4.370 0.228 1.00 0.00 C ATOM 514 CG1 VAL A 40 11.671 5.510 -0.644 1.00 0.00 C ATOM 515 CG2 VAL A 40 11.736 3.028 -0.199 1.00 0.00 C ATOM 0 H VAL A 40 9.937 6.136 1.706 1.00 0.00 H new ATOM 0 HA VAL A 40 11.514 3.671 2.191 1.00 0.00 H new ATOM 0 HB VAL A 40 10.058 4.316 0.087 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.467 5.292 -1.692 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.180 6.442 -0.365 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.746 5.608 -0.497 1.00 0.00 H new ATOM 0 HG21 VAL A 40 11.530 2.858 -1.256 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.814 3.042 -0.037 1.00 0.00 H new ATOM 0 HG23 VAL A 40 11.291 2.227 0.391 1.00 0.00 H new ATOM 525 N ASP A 41 12.658 6.702 1.644 1.00 0.00 N ATOM 526 CA ASP A 41 13.818 7.558 1.820 1.00 0.00 C ATOM 527 C ASP A 41 14.028 7.824 3.312 1.00 0.00 C ATOM 528 O ASP A 41 13.626 7.021 4.153 1.00 0.00 O ATOM 529 CB ASP A 41 13.619 8.906 1.124 1.00 0.00 C ATOM 530 CG ASP A 41 14.878 9.492 0.479 1.00 0.00 C ATOM 531 OD1 ASP A 41 15.048 10.727 0.584 1.00 0.00 O ATOM 532 OD2 ASP A 41 15.644 8.692 -0.102 1.00 0.00 O ATOM 0 H ASP A 41 11.832 7.174 1.277 1.00 0.00 H new ATOM 0 HA ASP A 41 14.680 7.051 1.386 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.854 8.792 0.356 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.235 9.621 1.852 1.00 0.00 H new ATOM 538 N THR A 42 14.659 8.954 3.597 1.00 0.00 N ATOM 539 CA THR A 42 14.926 9.337 4.972 1.00 0.00 C ATOM 540 C THR A 42 13.665 9.914 5.621 1.00 0.00 C ATOM 541 O THR A 42 13.687 11.027 6.145 1.00 0.00 O ATOM 542 CB THR A 42 16.108 10.307 4.971 1.00 0.00 C ATOM 543 OG1 THR A 42 16.406 10.493 6.354 1.00 0.00 O ATOM 544 CG2 THR A 42 15.720 11.706 4.484 1.00 0.00 C ATOM 0 H THR A 42 14.993 9.617 2.898 1.00 0.00 H new ATOM 0 HA THR A 42 15.197 8.472 5.578 1.00 0.00 H new ATOM 0 HB THR A 42 16.902 9.909 4.338 1.00 0.00 H new ATOM 0 HG1 THR A 42 15.626 10.874 6.808 1.00 0.00 H new ATOM 0 HG21 THR A 42 16.596 12.354 4.503 1.00 0.00 H new ATOM 0 HG22 THR A 42 15.337 11.644 3.465 1.00 0.00 H new ATOM 0 HG23 THR A 42 14.950 12.118 5.136 1.00 0.00 H new ATOM 552 N GLY A 43 12.598 9.130 5.564 1.00 0.00 N ATOM 553 CA GLY A 43 11.331 9.552 6.140 1.00 0.00 C ATOM 554 C GLY A 43 10.376 10.051 5.055 1.00 0.00 C ATOM 555 O GLY A 43 9.269 10.495 5.354 1.00 0.00 O ATOM 0 H GLY A 43 12.584 8.207 5.129 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.875 8.719 6.676 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.504 10.343 6.869 1.00 0.00 H new ATOM 559 N VAL A 44 10.839 9.965 3.818 1.00 0.00 N ATOM 560 CA VAL A 44 10.039 10.403 2.686 1.00 0.00 C ATOM 561 C VAL A 44 9.064 9.291 2.294 1.00 0.00 C ATOM 562 O VAL A 44 9.483 8.194 1.928 1.00 0.00 O ATOM 563 CB VAL A 44 10.952 10.831 1.534 1.00 0.00 C ATOM 564 CG1 VAL A 44 10.154 11.539 0.437 1.00 0.00 C ATOM 565 CG2 VAL A 44 12.094 11.715 2.040 1.00 0.00 C ATOM 0 H VAL A 44 11.759 9.598 3.573 1.00 0.00 H new ATOM 0 HA VAL A 44 9.445 11.276 2.954 1.00 0.00 H new ATOM 0 HB VAL A 44 11.391 9.932 1.101 1.00 0.00 H new ATOM 0 HG11 VAL A 44 10.826 11.833 -0.370 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.393 10.863 0.047 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.674 12.426 0.851 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.728 12.005 1.202 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.682 12.608 2.510 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.687 11.162 2.769 1.00 0.00 H new ATOM 575 N LEU A 45 7.783 9.613 2.384 1.00 0.00 N ATOM 576 CA LEU A 45 6.745 8.655 2.044 1.00 0.00 C ATOM 577 C LEU A 45 6.771 8.396 0.537 1.00 0.00 C ATOM 578 O LEU A 45 6.250 9.191 -0.243 1.00 0.00 O ATOM 579 CB LEU A 45 5.386 9.129 2.562 1.00 0.00 C ATOM 580 CG LEU A 45 5.037 8.729 3.997 1.00 0.00 C ATOM 581 CD1 LEU A 45 4.022 9.696 4.606 1.00 0.00 C ATOM 582 CD2 LEU A 45 4.554 7.278 4.058 1.00 0.00 C ATOM 0 H LEU A 45 7.440 10.524 2.688 1.00 0.00 H new ATOM 0 HA LEU A 45 6.932 7.701 2.536 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.352 10.216 2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.612 8.741 1.900 1.00 0.00 H new ATOM 0 HG LEU A 45 5.943 8.794 4.599 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.792 9.388 5.626 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.440 10.703 4.617 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.109 9.688 4.010 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.312 7.018 5.089 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.665 7.164 3.437 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.340 6.617 3.692 1.00 0.00 H new ATOM 594 N ALA A 46 7.383 7.279 0.171 1.00 0.00 N ATOM 595 CA ALA A 46 7.483 6.904 -1.230 1.00 0.00 C ATOM 596 C ALA A 46 6.582 5.698 -1.497 1.00 0.00 C ATOM 597 O ALA A 46 6.431 4.829 -0.640 1.00 0.00 O ATOM 598 CB ALA A 46 8.949 6.626 -1.580 1.00 0.00 C ATOM 0 H ALA A 46 7.815 6.621 0.820 1.00 0.00 H new ATOM 0 HA ALA A 46 7.142 7.717 -1.870 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.025 6.345 -2.630 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.542 7.523 -1.400 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.324 5.813 -0.958 1.00 0.00 H new ATOM 604 N CYS A 47 6.003 5.685 -2.689 1.00 0.00 N ATOM 605 CA CYS A 47 5.119 4.600 -3.080 1.00 0.00 C ATOM 606 C CYS A 47 5.832 3.758 -4.142 1.00 0.00 C ATOM 607 O CYS A 47 6.688 4.263 -4.866 1.00 0.00 O ATOM 608 CB CYS A 47 3.770 5.122 -3.576 1.00 0.00 C ATOM 609 SG CYS A 47 3.070 6.500 -2.597 1.00 0.00 S ATOM 0 H CYS A 47 6.129 6.409 -3.397 1.00 0.00 H new ATOM 0 HA CYS A 47 4.897 3.977 -2.213 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.881 5.450 -4.610 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.057 4.298 -3.578 1.00 0.00 H new ATOM 614 N ASN A 48 5.451 2.491 -4.197 1.00 0.00 N ATOM 615 CA ASN A 48 6.042 1.575 -5.158 1.00 0.00 C ATOM 616 C ASN A 48 5.274 1.659 -6.477 1.00 0.00 C ATOM 617 O ASN A 48 4.305 2.405 -6.587 1.00 0.00 O ATOM 618 CB ASN A 48 5.970 0.130 -4.658 1.00 0.00 C ATOM 619 CG ASN A 48 5.864 0.083 -3.132 1.00 0.00 C ATOM 620 OD1 ASN A 48 5.213 -0.773 -2.555 1.00 0.00 O ATOM 621 ND2 ASN A 48 6.542 1.044 -2.513 1.00 0.00 N ATOM 0 H ASN A 48 4.741 2.077 -3.593 1.00 0.00 H new ATOM 0 HA ASN A 48 7.086 1.857 -5.295 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.109 -0.370 -5.102 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.857 -0.415 -4.982 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.538 1.096 -1.494 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.067 1.729 -3.057 1.00 0.00 H new ATOM 628 N PRO A 49 5.749 0.859 -7.470 1.00 0.00 N ATOM 629 CA PRO A 49 5.115 0.835 -8.778 1.00 0.00 C ATOM 630 C PRO A 49 3.797 0.059 -8.737 1.00 0.00 C ATOM 631 O PRO A 49 2.977 0.174 -9.644 1.00 0.00 O ATOM 632 CB PRO A 49 6.147 0.208 -9.703 1.00 0.00 C ATOM 633 CG PRO A 49 7.130 -0.518 -8.799 1.00 0.00 C ATOM 634 CD PRO A 49 6.895 -0.039 -7.375 1.00 0.00 C ATOM 0 HA PRO A 49 4.836 1.829 -9.128 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.676 -0.483 -10.402 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.652 0.969 -10.298 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.987 -1.596 -8.868 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.155 -0.312 -9.107 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.689 -0.874 -6.705 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.771 0.477 -6.981 1.00 0.00 H new ATOM 642 N ALA A 50 3.638 -0.714 -7.672 1.00 0.00 N ATOM 643 CA ALA A 50 2.434 -1.509 -7.500 1.00 0.00 C ATOM 644 C ALA A 50 1.453 -0.754 -6.602 1.00 0.00 C ATOM 645 O ALA A 50 0.469 -1.326 -6.134 1.00 0.00 O ATOM 646 CB ALA A 50 2.806 -2.882 -6.932 1.00 0.00 C ATOM 0 H ALA A 50 4.322 -0.806 -6.921 1.00 0.00 H new ATOM 0 HA ALA A 50 1.943 -1.674 -8.459 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.903 -3.479 -6.803 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.481 -3.390 -7.621 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.299 -2.756 -5.968 1.00 0.00 H new ATOM 652 N ASP A 51 1.756 0.519 -6.389 1.00 0.00 N ATOM 653 CA ASP A 51 0.912 1.357 -5.554 1.00 0.00 C ATOM 654 C ASP A 51 -0.178 1.995 -6.418 1.00 0.00 C ATOM 655 O ASP A 51 -1.020 2.736 -5.913 1.00 0.00 O ATOM 656 CB ASP A 51 1.723 2.484 -4.907 1.00 0.00 C ATOM 657 CG ASP A 51 0.892 3.651 -4.370 1.00 0.00 C ATOM 658 OD1 ASP A 51 0.476 3.555 -3.194 1.00 0.00 O ATOM 659 OD2 ASP A 51 0.694 4.610 -5.144 1.00 0.00 O ATOM 0 H ASP A 51 2.573 0.989 -6.779 1.00 0.00 H new ATOM 0 HA ASP A 51 0.479 0.730 -4.774 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.308 2.066 -4.087 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.432 2.869 -5.640 1.00 0.00 H new ATOM 665 N PHE A 52 -0.127 1.685 -7.705 1.00 0.00 N ATOM 666 CA PHE A 52 -1.100 2.219 -8.643 1.00 0.00 C ATOM 667 C PHE A 52 -2.076 1.132 -9.096 1.00 0.00 C ATOM 668 O PHE A 52 -1.824 0.434 -10.077 1.00 0.00 O ATOM 669 CB PHE A 52 -0.317 2.723 -9.858 1.00 0.00 C ATOM 670 CG PHE A 52 1.004 3.409 -9.506 1.00 0.00 C ATOM 671 CD1 PHE A 52 1.023 4.435 -8.613 1.00 0.00 C ATOM 672 CD2 PHE A 52 2.161 2.992 -10.087 1.00 0.00 C ATOM 673 CE1 PHE A 52 2.250 5.071 -8.286 1.00 0.00 C ATOM 674 CE2 PHE A 52 3.389 3.628 -9.760 1.00 0.00 C ATOM 675 CZ PHE A 52 3.406 4.653 -8.868 1.00 0.00 C ATOM 0 H PHE A 52 0.573 1.071 -8.121 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.677 3.014 -8.171 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.112 1.882 -10.520 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.941 3.422 -10.415 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.104 4.766 -8.152 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.146 2.178 -10.797 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.265 5.885 -7.576 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.308 3.297 -10.220 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.339 5.137 -8.621 1.00 0.00 H new ATOM 685 N SER A 53 -3.173 1.024 -8.360 1.00 0.00 N ATOM 686 CA SER A 53 -4.189 0.035 -8.675 1.00 0.00 C ATOM 687 C SER A 53 -5.573 0.567 -8.292 1.00 0.00 C ATOM 688 O SER A 53 -6.096 0.240 -7.229 1.00 0.00 O ATOM 689 CB SER A 53 -3.914 -1.287 -7.954 1.00 0.00 C ATOM 690 OG SER A 53 -3.639 -2.346 -8.870 1.00 0.00 O ATOM 0 H SER A 53 -3.380 1.605 -7.547 1.00 0.00 H new ATOM 0 HA SER A 53 -4.161 -0.153 -9.748 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.068 -1.163 -7.278 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.775 -1.552 -7.341 1.00 0.00 H new ATOM 0 HG SER A 53 -3.932 -3.197 -8.483 1.00 0.00 H new ATOM 696 N SER A 54 -6.125 1.380 -9.183 1.00 0.00 N ATOM 697 CA SER A 54 -7.436 1.961 -8.952 1.00 0.00 C ATOM 698 C SER A 54 -8.344 0.946 -8.253 1.00 0.00 C ATOM 699 O SER A 54 -8.458 -0.196 -8.697 1.00 0.00 O ATOM 700 CB SER A 54 -8.071 2.425 -10.264 1.00 0.00 C ATOM 701 OG SER A 54 -8.551 1.331 -11.041 1.00 0.00 O ATOM 0 H SER A 54 -5.688 1.649 -10.064 1.00 0.00 H new ATOM 0 HA SER A 54 -7.315 2.833 -8.309 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.895 3.105 -10.047 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.338 2.987 -10.843 1.00 0.00 H new ATOM 0 HG SER A 54 -8.951 1.669 -11.870 1.00 0.00 H new ATOM 707 N VAL A 55 -8.965 1.399 -7.175 1.00 0.00 N ATOM 708 CA VAL A 55 -9.858 0.545 -6.411 1.00 0.00 C ATOM 709 C VAL A 55 -11.037 1.373 -5.902 1.00 0.00 C ATOM 710 O VAL A 55 -10.909 2.579 -5.688 1.00 0.00 O ATOM 711 CB VAL A 55 -9.083 -0.150 -5.288 1.00 0.00 C ATOM 712 CG1 VAL A 55 -10.021 -0.552 -4.146 1.00 0.00 C ATOM 713 CG2 VAL A 55 -8.314 -1.361 -5.818 1.00 0.00 C ATOM 0 H VAL A 55 -8.868 2.347 -6.812 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.266 -0.244 -7.042 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.356 0.559 -4.893 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.448 -1.044 -3.360 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -10.503 0.338 -3.741 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.781 -1.236 -4.523 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.773 -1.835 -4.999 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.014 -2.075 -6.252 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.606 -1.037 -6.581 1.00 0.00 H new ATOM 723 N THR A 56 -12.160 0.696 -5.720 1.00 0.00 N ATOM 724 CA THR A 56 -13.364 1.355 -5.237 1.00 0.00 C ATOM 725 C THR A 56 -13.995 0.550 -4.099 1.00 0.00 C ATOM 726 O THR A 56 -13.929 -0.679 -4.093 1.00 0.00 O ATOM 727 CB THR A 56 -14.299 1.560 -6.430 1.00 0.00 C ATOM 728 OG1 THR A 56 -14.016 2.883 -6.872 1.00 0.00 O ATOM 729 CG2 THR A 56 -15.772 1.613 -6.015 1.00 0.00 C ATOM 0 H THR A 56 -12.263 -0.303 -5.898 1.00 0.00 H new ATOM 0 HA THR A 56 -13.137 2.332 -4.811 1.00 0.00 H new ATOM 0 HB THR A 56 -14.152 0.754 -7.149 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.013 2.907 -7.852 1.00 0.00 H new ATOM 0 HG21 THR A 56 -16.394 1.760 -6.898 1.00 0.00 H new ATOM 0 HG22 THR A 56 -16.047 0.677 -5.529 1.00 0.00 H new ATOM 0 HG23 THR A 56 -15.925 2.440 -5.322 1.00 0.00 H new ATOM 737 N ALA A 57 -14.591 1.273 -3.166 1.00 0.00 N ATOM 738 CA ALA A 57 -15.233 0.640 -2.026 1.00 0.00 C ATOM 739 C ALA A 57 -16.741 0.556 -2.277 1.00 0.00 C ATOM 740 O ALA A 57 -17.346 1.505 -2.771 1.00 0.00 O ATOM 741 CB ALA A 57 -14.900 1.422 -0.753 1.00 0.00 C ATOM 0 H ALA A 57 -14.644 2.292 -3.174 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.862 -0.376 -1.893 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.381 0.947 0.102 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.820 1.430 -0.603 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.261 2.446 -0.850 1.00 0.00 H new ATOM 747 N ASP A 58 -17.303 -0.592 -1.928 1.00 0.00 N ATOM 748 CA ASP A 58 -18.727 -0.814 -2.108 1.00 0.00 C ATOM 749 C ASP A 58 -19.507 0.244 -1.329 1.00 0.00 C ATOM 750 O ASP A 58 -18.977 0.857 -0.404 1.00 0.00 O ATOM 751 CB ASP A 58 -19.140 -2.189 -1.584 1.00 0.00 C ATOM 752 CG ASP A 58 -18.079 -3.283 -1.723 1.00 0.00 C ATOM 753 OD1 ASP A 58 -18.140 -4.240 -0.922 1.00 0.00 O ATOM 754 OD2 ASP A 58 -17.232 -3.137 -2.629 1.00 0.00 O ATOM 0 H ASP A 58 -16.797 -1.379 -1.521 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.945 -0.755 -3.174 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.406 -2.094 -0.531 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -20.039 -2.507 -2.113 1.00 0.00 H new ATOM 760 N ALA A 59 -20.757 0.430 -1.732 1.00 0.00 N ATOM 761 CA ALA A 59 -21.616 1.404 -1.082 1.00 0.00 C ATOM 762 C ALA A 59 -21.342 1.396 0.422 1.00 0.00 C ATOM 763 O ALA A 59 -21.453 2.429 1.083 1.00 0.00 O ATOM 764 CB ALA A 59 -23.078 1.096 -1.411 1.00 0.00 C ATOM 0 H ALA A 59 -21.194 -0.078 -2.501 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.404 2.408 -1.450 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.723 1.827 -0.923 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -23.226 1.144 -2.490 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.328 0.097 -1.055 1.00 0.00 H new ATOM 770 N ASN A 60 -20.991 0.220 0.922 1.00 0.00 N ATOM 771 CA ASN A 60 -20.700 0.064 2.336 1.00 0.00 C ATOM 772 C ASN A 60 -19.217 0.352 2.584 1.00 0.00 C ATOM 773 O ASN A 60 -18.595 -0.277 3.437 1.00 0.00 O ATOM 774 CB ASN A 60 -20.990 -1.364 2.804 1.00 0.00 C ATOM 775 CG ASN A 60 -21.042 -1.442 4.331 1.00 0.00 C ATOM 776 OD1 ASN A 60 -21.834 -0.785 4.985 1.00 0.00 O ATOM 777 ND2 ASN A 60 -20.153 -2.277 4.861 1.00 0.00 N ATOM 0 H ASN A 60 -20.902 -0.634 0.372 1.00 0.00 H new ATOM 0 HA ASN A 60 -21.332 0.760 2.888 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -21.939 -1.701 2.387 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -20.219 -2.037 2.428 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -20.106 -2.397 5.873 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -19.518 -2.797 4.256 1.00 0.00 H new ATOM 784 N GLY A 61 -18.697 1.302 1.821 1.00 0.00 N ATOM 785 CA GLY A 61 -17.300 1.681 1.946 1.00 0.00 C ATOM 786 C GLY A 61 -16.417 0.450 2.165 1.00 0.00 C ATOM 787 O GLY A 61 -15.517 0.471 3.004 1.00 0.00 O ATOM 0 H GLY A 61 -19.218 1.821 1.114 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -16.980 2.207 1.047 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -17.180 2.373 2.780 1.00 0.00 H new ATOM 791 N SER A 62 -16.704 -0.589 1.397 1.00 0.00 N ATOM 792 CA SER A 62 -15.947 -1.826 1.496 1.00 0.00 C ATOM 793 C SER A 62 -15.213 -2.095 0.182 1.00 0.00 C ATOM 794 O SER A 62 -15.822 -2.519 -0.799 1.00 0.00 O ATOM 795 CB SER A 62 -16.859 -3.003 1.847 1.00 0.00 C ATOM 796 OG SER A 62 -17.634 -2.749 3.016 1.00 0.00 O ATOM 0 H SER A 62 -17.451 -0.601 0.702 1.00 0.00 H new ATOM 0 HA SER A 62 -15.216 -1.718 2.297 1.00 0.00 H new ATOM 0 HB2 SER A 62 -17.525 -3.208 1.009 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.254 -3.897 2.000 1.00 0.00 H new ATOM 0 HG SER A 62 -18.079 -1.880 2.931 1.00 0.00 H new ATOM 802 N ALA A 63 -13.913 -1.840 0.204 1.00 0.00 N ATOM 803 CA ALA A 63 -13.088 -2.051 -0.973 1.00 0.00 C ATOM 804 C ALA A 63 -12.285 -3.343 -0.805 1.00 0.00 C ATOM 805 O ALA A 63 -11.219 -3.341 -0.191 1.00 0.00 O ATOM 806 CB ALA A 63 -12.190 -0.832 -1.195 1.00 0.00 C ATOM 0 H ALA A 63 -13.410 -1.489 1.019 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.711 -2.163 -1.861 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.572 -0.992 -2.078 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.808 0.054 -1.340 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.549 -0.689 -0.325 1.00 0.00 H new ATOM 812 N SER A 64 -12.829 -4.417 -1.360 1.00 0.00 N ATOM 813 CA SER A 64 -12.177 -5.712 -1.278 1.00 0.00 C ATOM 814 C SER A 64 -11.411 -5.996 -2.573 1.00 0.00 C ATOM 815 O SER A 64 -11.912 -6.694 -3.454 1.00 0.00 O ATOM 816 CB SER A 64 -13.193 -6.824 -1.009 1.00 0.00 C ATOM 817 OG SER A 64 -14.380 -6.663 -1.779 1.00 0.00 O ATOM 0 H SER A 64 -13.714 -4.416 -1.868 1.00 0.00 H new ATOM 0 HA SER A 64 -11.474 -5.689 -0.445 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.742 -7.790 -1.237 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.447 -6.833 0.051 1.00 0.00 H new ATOM 0 HG SER A 64 -14.146 -6.575 -2.727 1.00 0.00 H new ATOM 823 N THR A 65 -10.210 -5.441 -2.647 1.00 0.00 N ATOM 824 CA THR A 65 -9.372 -5.625 -3.819 1.00 0.00 C ATOM 825 C THR A 65 -8.183 -6.530 -3.487 1.00 0.00 C ATOM 826 O THR A 65 -7.553 -6.374 -2.442 1.00 0.00 O ATOM 827 CB THR A 65 -8.958 -4.242 -4.326 1.00 0.00 C ATOM 828 OG1 THR A 65 -10.175 -3.668 -4.799 1.00 0.00 O ATOM 829 CG2 THR A 65 -8.074 -4.316 -5.572 1.00 0.00 C ATOM 0 H THR A 65 -9.798 -4.864 -1.914 1.00 0.00 H new ATOM 0 HA THR A 65 -9.914 -6.132 -4.617 1.00 0.00 H new ATOM 0 HB THR A 65 -8.429 -3.709 -3.536 1.00 0.00 H new ATOM 0 HG1 THR A 65 -10.295 -3.890 -5.746 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.809 -3.308 -5.890 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.167 -4.874 -5.342 1.00 0.00 H new ATOM 0 HG23 THR A 65 -8.616 -4.819 -6.373 1.00 0.00 H new ATOM 837 N SER A 66 -7.913 -7.455 -4.396 1.00 0.00 N ATOM 838 CA SER A 66 -6.812 -8.385 -4.214 1.00 0.00 C ATOM 839 C SER A 66 -5.535 -7.810 -4.826 1.00 0.00 C ATOM 840 O SER A 66 -5.514 -7.444 -6.000 1.00 0.00 O ATOM 841 CB SER A 66 -7.132 -9.746 -4.836 1.00 0.00 C ATOM 842 OG SER A 66 -7.328 -9.656 -6.245 1.00 0.00 O ATOM 0 H SER A 66 -8.438 -7.580 -5.261 1.00 0.00 H new ATOM 0 HA SER A 66 -6.661 -8.531 -3.144 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.318 -10.441 -4.627 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.029 -10.156 -4.371 1.00 0.00 H new ATOM 0 HG SER A 66 -6.907 -8.838 -6.582 1.00 0.00 H new ATOM 848 N LEU A 67 -4.499 -7.745 -4.002 1.00 0.00 N ATOM 849 CA LEU A 67 -3.218 -7.219 -4.447 1.00 0.00 C ATOM 850 C LEU A 67 -2.093 -8.104 -3.905 1.00 0.00 C ATOM 851 O LEU A 67 -2.304 -8.889 -2.984 1.00 0.00 O ATOM 852 CB LEU A 67 -3.082 -5.744 -4.062 1.00 0.00 C ATOM 853 CG LEU A 67 -3.198 -4.739 -5.210 1.00 0.00 C ATOM 854 CD1 LEU A 67 -2.457 -5.238 -6.451 1.00 0.00 C ATOM 855 CD2 LEU A 67 -4.662 -4.412 -5.506 1.00 0.00 C ATOM 0 H LEU A 67 -4.520 -8.048 -3.028 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.150 -7.248 -5.535 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.847 -5.510 -3.322 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.116 -5.603 -3.578 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.718 -3.810 -4.902 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.555 -4.506 -7.252 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.402 -5.377 -6.214 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.885 -6.187 -6.773 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.716 -3.696 -6.326 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.189 -5.324 -5.786 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.126 -3.983 -4.618 1.00 0.00 H new ATOM 867 N THR A 68 -0.921 -7.944 -4.502 1.00 0.00 N ATOM 868 CA THR A 68 0.239 -8.718 -4.093 1.00 0.00 C ATOM 869 C THR A 68 1.214 -7.840 -3.307 1.00 0.00 C ATOM 870 O THR A 68 1.469 -6.697 -3.683 1.00 0.00 O ATOM 871 CB THR A 68 0.857 -9.343 -5.344 1.00 0.00 C ATOM 872 OG1 THR A 68 1.695 -10.378 -4.839 1.00 0.00 O ATOM 873 CG2 THR A 68 1.824 -8.395 -6.056 1.00 0.00 C ATOM 0 H THR A 68 -0.750 -7.290 -5.266 1.00 0.00 H new ATOM 0 HA THR A 68 -0.042 -9.525 -3.416 1.00 0.00 H new ATOM 0 HB THR A 68 0.064 -9.636 -6.032 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.134 -10.837 -5.585 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.234 -8.888 -6.937 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.292 -7.493 -6.359 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.635 -8.127 -5.379 1.00 0.00 H new ATOM 881 N VAL A 69 1.736 -8.409 -2.229 1.00 0.00 N ATOM 882 CA VAL A 69 2.678 -7.693 -1.386 1.00 0.00 C ATOM 883 C VAL A 69 4.098 -7.934 -1.898 1.00 0.00 C ATOM 884 O VAL A 69 4.780 -8.850 -1.441 1.00 0.00 O ATOM 885 CB VAL A 69 2.491 -8.106 0.075 1.00 0.00 C ATOM 886 CG1 VAL A 69 3.322 -7.219 1.006 1.00 0.00 C ATOM 887 CG2 VAL A 69 1.013 -8.077 0.468 1.00 0.00 C ATOM 0 H VAL A 69 1.524 -9.358 -1.921 1.00 0.00 H new ATOM 0 HA VAL A 69 2.493 -6.620 -1.432 1.00 0.00 H new ATOM 0 HB VAL A 69 2.847 -9.131 0.181 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.171 -7.534 2.039 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.377 -7.310 0.749 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.010 -6.181 0.894 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.908 -8.375 1.511 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.622 -7.068 0.337 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.455 -8.767 -0.164 1.00 0.00 H new ATOM 897 N ARG A 70 4.503 -7.097 -2.842 1.00 0.00 N ATOM 898 CA ARG A 70 5.831 -7.206 -3.422 1.00 0.00 C ATOM 899 C ARG A 70 6.801 -6.262 -2.710 1.00 0.00 C ATOM 900 O ARG A 70 7.230 -5.260 -3.280 1.00 0.00 O ATOM 901 CB ARG A 70 5.810 -6.872 -4.915 1.00 0.00 C ATOM 902 CG ARG A 70 5.778 -8.146 -5.762 1.00 0.00 C ATOM 903 CD ARG A 70 6.859 -8.112 -6.843 1.00 0.00 C ATOM 904 NE ARG A 70 6.253 -8.351 -8.174 1.00 0.00 N ATOM 905 CZ ARG A 70 5.758 -9.530 -8.572 1.00 0.00 C ATOM 906 NH1 ARG A 70 5.793 -10.585 -7.747 1.00 0.00 N ATOM 907 NH2 ARG A 70 5.227 -9.654 -9.795 1.00 0.00 N ATOM 0 H ARG A 70 3.934 -6.340 -3.220 1.00 0.00 H new ATOM 0 HA ARG A 70 6.163 -8.237 -3.296 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.938 -6.258 -5.142 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.690 -6.282 -5.172 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.925 -9.016 -5.122 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.798 -8.254 -6.226 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.365 -7.147 -6.833 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.615 -8.870 -6.637 1.00 0.00 H new ATOM 0 HE ARG A 70 6.210 -7.569 -8.828 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.197 -10.491 -6.815 1.00 0.00 H new ATOM 0 HH12 ARG A 70 5.416 -11.483 -8.051 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.200 -8.851 -10.423 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.850 -10.552 -10.099 1.00 0.00 H new ATOM 921 N ARG A 71 7.121 -6.616 -1.473 1.00 0.00 N ATOM 922 CA ARG A 71 8.034 -5.813 -0.677 1.00 0.00 C ATOM 923 C ARG A 71 9.140 -5.234 -1.559 1.00 0.00 C ATOM 924 O ARG A 71 9.632 -4.136 -1.307 1.00 0.00 O ATOM 925 CB ARG A 71 8.665 -6.644 0.442 1.00 0.00 C ATOM 926 CG ARG A 71 8.896 -5.792 1.691 1.00 0.00 C ATOM 927 CD ARG A 71 8.323 -6.478 2.934 1.00 0.00 C ATOM 928 NE ARG A 71 8.719 -7.904 2.955 1.00 0.00 N ATOM 929 CZ ARG A 71 9.810 -8.373 3.577 1.00 0.00 C ATOM 930 NH1 ARG A 71 10.622 -7.531 4.231 1.00 0.00 N ATOM 931 NH2 ARG A 71 10.090 -9.683 3.541 1.00 0.00 N ATOM 0 H ARG A 71 6.764 -7.448 -1.003 1.00 0.00 H new ATOM 0 HA ARG A 71 7.459 -5.001 -0.232 1.00 0.00 H new ATOM 0 HB2 ARG A 71 8.016 -7.485 0.686 1.00 0.00 H new ATOM 0 HB3 ARG A 71 9.613 -7.061 0.101 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.964 -5.619 1.826 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.429 -4.816 1.562 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.684 -5.979 3.833 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.236 -6.394 2.937 1.00 0.00 H new ATOM 0 HE ARG A 71 8.124 -8.572 2.465 1.00 0.00 H new ATOM 0 HH11 ARG A 71 10.410 -6.534 4.255 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.452 -7.888 4.704 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.473 -10.323 3.040 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.920 -10.040 4.014 1.00 0.00 H new ATOM 945 N SER A 72 9.499 -5.999 -2.581 1.00 0.00 N ATOM 946 CA SER A 72 10.539 -5.575 -3.503 1.00 0.00 C ATOM 947 C SER A 72 9.928 -4.757 -4.641 1.00 0.00 C ATOM 948 O SER A 72 8.882 -5.117 -5.178 1.00 0.00 O ATOM 949 CB SER A 72 11.301 -6.778 -4.065 1.00 0.00 C ATOM 950 OG SER A 72 11.017 -6.992 -5.445 1.00 0.00 O ATOM 0 H SER A 72 9.088 -6.909 -2.790 1.00 0.00 H new ATOM 0 HA SER A 72 11.247 -4.953 -2.956 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.372 -6.622 -3.935 1.00 0.00 H new ATOM 0 HB3 SER A 72 11.038 -7.671 -3.498 1.00 0.00 H new ATOM 0 HG SER A 72 10.069 -7.218 -5.553 1.00 0.00 H new ATOM 956 N PHE A 73 10.606 -3.667 -4.974 1.00 0.00 N ATOM 957 CA PHE A 73 10.141 -2.793 -6.038 1.00 0.00 C ATOM 958 C PHE A 73 10.913 -1.473 -6.037 1.00 0.00 C ATOM 959 O PHE A 73 11.818 -1.276 -5.226 1.00 0.00 O ATOM 960 CB PHE A 73 8.664 -2.507 -5.769 1.00 0.00 C ATOM 961 CG PHE A 73 8.331 -2.290 -4.292 1.00 0.00 C ATOM 962 CD1 PHE A 73 9.151 -1.535 -3.512 1.00 0.00 C ATOM 963 CD2 PHE A 73 7.214 -2.851 -3.756 1.00 0.00 C ATOM 964 CE1 PHE A 73 8.843 -1.332 -2.141 1.00 0.00 C ATOM 965 CE2 PHE A 73 6.905 -2.649 -2.383 1.00 0.00 C ATOM 966 CZ PHE A 73 7.726 -1.895 -1.607 1.00 0.00 C ATOM 0 H PHE A 73 11.473 -3.370 -4.526 1.00 0.00 H new ATOM 0 HA PHE A 73 10.292 -3.271 -7.006 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.368 -1.622 -6.331 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.069 -3.338 -6.147 1.00 0.00 H new ATOM 0 HD1 PHE A 73 10.038 -1.089 -3.937 1.00 0.00 H new ATOM 0 HD2 PHE A 73 6.561 -3.450 -4.374 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.494 -0.732 -1.523 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.018 -3.095 -1.957 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.491 -1.742 -0.564 1.00 0.00 H new ATOM 976 N GLU A 74 10.529 -0.598 -6.956 1.00 0.00 N ATOM 977 CA GLU A 74 11.173 0.700 -7.071 1.00 0.00 C ATOM 978 C GLU A 74 10.354 1.766 -6.344 1.00 0.00 C ATOM 979 O GLU A 74 9.266 2.128 -6.786 1.00 0.00 O ATOM 980 CB GLU A 74 11.383 1.077 -8.538 1.00 0.00 C ATOM 981 CG GLU A 74 12.346 2.261 -8.669 1.00 0.00 C ATOM 982 CD GLU A 74 12.226 2.916 -10.046 1.00 0.00 C ATOM 983 OE1 GLU A 74 11.365 3.811 -10.174 1.00 0.00 O ATOM 984 OE2 GLU A 74 13.001 2.507 -10.937 1.00 0.00 O ATOM 0 H GLU A 74 9.780 -0.763 -7.628 1.00 0.00 H new ATOM 0 HA GLU A 74 12.154 0.640 -6.599 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.778 0.220 -9.084 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.425 1.331 -8.992 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.132 2.996 -7.893 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.370 1.921 -8.512 1.00 0.00 H new ATOM 992 N GLY A 75 10.909 2.239 -5.237 1.00 0.00 N ATOM 993 CA GLY A 75 10.243 3.258 -4.442 1.00 0.00 C ATOM 994 C GLY A 75 10.330 4.627 -5.120 1.00 0.00 C ATOM 995 O GLY A 75 11.324 4.937 -5.775 1.00 0.00 O ATOM 0 H GLY A 75 11.812 1.936 -4.872 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.198 2.986 -4.297 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.699 3.308 -3.453 1.00 0.00 H new ATOM 999 N PHE A 76 9.275 5.407 -4.941 1.00 0.00 N ATOM 1000 CA PHE A 76 9.218 6.735 -5.528 1.00 0.00 C ATOM 1001 C PHE A 76 8.743 7.768 -4.503 1.00 0.00 C ATOM 1002 O PHE A 76 7.670 7.621 -3.921 1.00 0.00 O ATOM 1003 CB PHE A 76 8.211 6.674 -6.679 1.00 0.00 C ATOM 1004 CG PHE A 76 7.499 8.000 -6.951 1.00 0.00 C ATOM 1005 CD1 PHE A 76 8.218 9.094 -7.325 1.00 0.00 C ATOM 1006 CD2 PHE A 76 6.148 8.085 -6.824 1.00 0.00 C ATOM 1007 CE1 PHE A 76 7.556 10.324 -7.580 1.00 0.00 C ATOM 1008 CE2 PHE A 76 5.487 9.316 -7.079 1.00 0.00 C ATOM 1009 CZ PHE A 76 6.206 10.409 -7.451 1.00 0.00 C ATOM 0 H PHE A 76 8.452 5.145 -4.398 1.00 0.00 H new ATOM 0 HA PHE A 76 10.209 7.033 -5.871 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.728 6.358 -7.585 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.465 5.911 -6.456 1.00 0.00 H new ATOM 0 HD1 PHE A 76 9.291 9.026 -7.428 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.578 7.217 -6.529 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.126 11.192 -7.877 1.00 0.00 H new ATOM 0 HE2 PHE A 76 4.414 9.384 -6.978 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.703 11.345 -7.644 1.00 0.00 H new ATOM 1019 N LEU A 77 9.565 8.789 -4.314 1.00 0.00 N ATOM 1020 CA LEU A 77 9.243 9.846 -3.371 1.00 0.00 C ATOM 1021 C LEU A 77 8.025 10.621 -3.878 1.00 0.00 C ATOM 1022 O LEU A 77 7.760 10.653 -5.079 1.00 0.00 O ATOM 1023 CB LEU A 77 10.467 10.725 -3.110 1.00 0.00 C ATOM 1024 CG LEU A 77 11.809 9.997 -3.023 1.00 0.00 C ATOM 1025 CD1 LEU A 77 12.933 10.961 -2.636 1.00 0.00 C ATOM 1026 CD2 LEU A 77 11.725 8.803 -2.067 1.00 0.00 C ATOM 0 H LEU A 77 10.455 8.907 -4.799 1.00 0.00 H new ATOM 0 HA LEU A 77 8.973 9.423 -2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.531 11.469 -3.904 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.309 11.266 -2.177 1.00 0.00 H new ATOM 0 HG LEU A 77 12.048 9.604 -4.011 1.00 0.00 H new ATOM 0 HD11 LEU A 77 13.876 10.417 -2.581 1.00 0.00 H new ATOM 0 HD12 LEU A 77 13.011 11.748 -3.386 1.00 0.00 H new ATOM 0 HD13 LEU A 77 12.713 11.405 -1.665 1.00 0.00 H new ATOM 0 HD21 LEU A 77 12.693 8.303 -2.024 1.00 0.00 H new ATOM 0 HD22 LEU A 77 11.452 9.153 -1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 77 10.970 8.103 -2.425 1.00 0.00 H new ATOM 1038 N PHE A 78 7.317 11.227 -2.936 1.00 0.00 N ATOM 1039 CA PHE A 78 6.133 12.001 -3.273 1.00 0.00 C ATOM 1040 C PHE A 78 6.509 13.420 -3.700 1.00 0.00 C ATOM 1041 O PHE A 78 5.789 14.052 -4.474 1.00 0.00 O ATOM 1042 CB PHE A 78 5.271 12.072 -2.011 1.00 0.00 C ATOM 1043 CG PHE A 78 5.676 13.189 -1.045 1.00 0.00 C ATOM 1044 CD1 PHE A 78 5.213 14.454 -1.236 1.00 0.00 C ATOM 1045 CD2 PHE A 78 6.494 12.915 0.006 1.00 0.00 C ATOM 1046 CE1 PHE A 78 5.587 15.489 -0.341 1.00 0.00 C ATOM 1047 CE2 PHE A 78 6.869 13.952 0.902 1.00 0.00 C ATOM 1048 CZ PHE A 78 6.407 15.218 0.710 1.00 0.00 C ATOM 0 H PHE A 78 7.540 11.198 -1.941 1.00 0.00 H new ATOM 0 HA PHE A 78 5.604 11.530 -4.101 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.230 12.216 -2.301 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.327 11.116 -1.490 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.561 14.670 -2.069 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.858 11.910 0.160 1.00 0.00 H new ATOM 0 HE1 PHE A 78 5.220 16.493 -0.494 1.00 0.00 H new ATOM 0 HE2 PHE A 78 7.521 13.736 1.736 1.00 0.00 H new ATOM 0 HZ PHE A 78 6.691 16.006 1.391 1.00 0.00 H new ATOM 1058 N ASP A 79 7.635 13.882 -3.178 1.00 0.00 N ATOM 1059 CA ASP A 79 8.116 15.217 -3.496 1.00 0.00 C ATOM 1060 C ASP A 79 8.276 15.349 -5.013 1.00 0.00 C ATOM 1061 O ASP A 79 7.873 16.354 -5.598 1.00 0.00 O ATOM 1062 CB ASP A 79 9.478 15.480 -2.852 1.00 0.00 C ATOM 1063 CG ASP A 79 9.719 16.927 -2.417 1.00 0.00 C ATOM 1064 OD1 ASP A 79 8.813 17.752 -2.662 1.00 0.00 O ATOM 1065 OD2 ASP A 79 10.807 17.175 -1.852 1.00 0.00 O ATOM 0 H ASP A 79 8.229 13.356 -2.537 1.00 0.00 H new ATOM 0 HA ASP A 79 7.392 15.936 -3.113 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.583 14.833 -1.981 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.258 15.194 -3.558 1.00 0.00 H new ATOM 1071 N GLY A 80 8.866 14.320 -5.604 1.00 0.00 N ATOM 1072 CA GLY A 80 9.084 14.307 -7.040 1.00 0.00 C ATOM 1073 C GLY A 80 10.284 13.432 -7.405 1.00 0.00 C ATOM 1074 O GLY A 80 10.397 12.971 -8.539 1.00 0.00 O ATOM 0 H GLY A 80 9.200 13.490 -5.114 1.00 0.00 H new ATOM 0 HA2 GLY A 80 8.192 13.935 -7.543 1.00 0.00 H new ATOM 0 HA3 GLY A 80 9.250 15.324 -7.395 1.00 0.00 H new ATOM 1078 N THR A 81 11.147 13.228 -6.422 1.00 0.00 N ATOM 1079 CA THR A 81 12.334 12.414 -6.626 1.00 0.00 C ATOM 1080 C THR A 81 11.995 10.929 -6.481 1.00 0.00 C ATOM 1081 O THR A 81 10.993 10.576 -5.860 1.00 0.00 O ATOM 1082 CB THR A 81 13.407 12.891 -5.645 1.00 0.00 C ATOM 1083 OG1 THR A 81 13.724 14.207 -6.086 1.00 0.00 O ATOM 1084 CG2 THR A 81 14.721 12.122 -5.795 1.00 0.00 C ATOM 0 H THR A 81 11.049 13.612 -5.482 1.00 0.00 H new ATOM 0 HA THR A 81 12.723 12.528 -7.638 1.00 0.00 H new ATOM 0 HB THR A 81 13.037 12.784 -4.625 1.00 0.00 H new ATOM 0 HG1 THR A 81 14.412 14.591 -5.503 1.00 0.00 H new ATOM 0 HG21 THR A 81 15.448 12.500 -5.076 1.00 0.00 H new ATOM 0 HG22 THR A 81 14.545 11.062 -5.611 1.00 0.00 H new ATOM 0 HG23 THR A 81 15.107 12.255 -6.805 1.00 0.00 H new ATOM 1092 N ARG A 82 12.848 10.101 -7.064 1.00 0.00 N ATOM 1093 CA ARG A 82 12.651 8.661 -7.008 1.00 0.00 C ATOM 1094 C ARG A 82 13.726 8.012 -6.135 1.00 0.00 C ATOM 1095 O ARG A 82 14.883 8.426 -6.158 1.00 0.00 O ATOM 1096 CB ARG A 82 12.697 8.044 -8.408 1.00 0.00 C ATOM 1097 CG ARG A 82 11.464 8.439 -9.222 1.00 0.00 C ATOM 1098 CD ARG A 82 11.869 9.093 -10.546 1.00 0.00 C ATOM 1099 NE ARG A 82 11.968 8.066 -11.607 1.00 0.00 N ATOM 1100 CZ ARG A 82 12.423 8.307 -12.844 1.00 0.00 C ATOM 1101 NH1 ARG A 82 12.823 9.540 -13.183 1.00 0.00 N ATOM 1102 NH2 ARG A 82 12.480 7.313 -13.743 1.00 0.00 N ATOM 0 H ARG A 82 13.677 10.398 -7.578 1.00 0.00 H new ATOM 0 HA ARG A 82 11.668 8.477 -6.575 1.00 0.00 H new ATOM 0 HB2 ARG A 82 13.599 8.373 -8.925 1.00 0.00 H new ATOM 0 HB3 ARG A 82 12.753 6.958 -8.329 1.00 0.00 H new ATOM 0 HG2 ARG A 82 10.856 7.556 -9.419 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.848 9.129 -8.645 1.00 0.00 H new ATOM 0 HD2 ARG A 82 11.136 9.849 -10.827 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.825 9.603 -10.432 1.00 0.00 H new ATOM 0 HE ARG A 82 11.672 7.116 -11.383 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.781 10.296 -12.499 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.169 9.723 -14.125 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.177 6.374 -13.485 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.826 7.496 -14.685 1.00 0.00 H new ATOM 1116 N TRP A 83 13.305 7.005 -5.385 1.00 0.00 N ATOM 1117 CA TRP A 83 14.218 6.293 -4.506 1.00 0.00 C ATOM 1118 C TRP A 83 14.603 4.978 -5.188 1.00 0.00 C ATOM 1119 O TRP A 83 15.636 4.898 -5.848 1.00 0.00 O ATOM 1120 CB TRP A 83 13.599 6.090 -3.123 1.00 0.00 C ATOM 1121 CG TRP A 83 14.578 5.556 -2.075 1.00 0.00 C ATOM 1122 CD1 TRP A 83 14.475 4.439 -1.342 1.00 0.00 C ATOM 1123 CD2 TRP A 83 15.823 6.167 -1.672 1.00 0.00 C ATOM 1124 NE1 TRP A 83 15.556 4.285 -0.498 1.00 0.00 N ATOM 1125 CE2 TRP A 83 16.402 5.368 -0.705 1.00 0.00 C ATOM 1126 CE3 TRP A 83 16.437 7.351 -2.108 1.00 0.00 C ATOM 1127 CZ2 TRP A 83 17.625 5.670 -0.096 1.00 0.00 C ATOM 1128 CZ3 TRP A 83 17.660 7.640 -1.490 1.00 0.00 C ATOM 1129 CH2 TRP A 83 18.256 6.847 -0.514 1.00 0.00 C ATOM 0 H TRP A 83 12.344 6.665 -5.367 1.00 0.00 H new ATOM 0 HA TRP A 83 15.124 6.875 -4.337 1.00 0.00 H new ATOM 0 HB2 TRP A 83 13.193 7.040 -2.775 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.762 5.398 -3.209 1.00 0.00 H new ATOM 0 HD1 TRP A 83 13.649 3.746 -1.404 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.706 3.518 0.157 1.00 0.00 H new ATOM 0 HE3 TRP A 83 16.000 7.990 -2.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 18.059 5.029 0.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 18.176 8.540 -1.791 1.00 0.00 H new ATOM 0 HH2 TRP A 83 19.201 7.139 -0.081 1.00 0.00 H new ATOM 1140 N GLY A 84 13.749 3.980 -5.002 1.00 0.00 N ATOM 1141 CA GLY A 84 13.987 2.674 -5.590 1.00 0.00 C ATOM 1142 C GLY A 84 13.986 1.582 -4.520 1.00 0.00 C ATOM 1143 O GLY A 84 13.030 0.816 -4.409 1.00 0.00 O ATOM 0 H GLY A 84 12.893 4.051 -4.453 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.219 2.460 -6.333 1.00 0.00 H new ATOM 0 HA3 GLY A 84 14.944 2.675 -6.112 1.00 0.00 H new ATOM 1147 N THR A 85 15.068 1.545 -3.756 1.00 0.00 N ATOM 1148 CA THR A 85 15.204 0.560 -2.697 1.00 0.00 C ATOM 1149 C THR A 85 15.331 -0.845 -3.291 1.00 0.00 C ATOM 1150 O THR A 85 16.353 -1.508 -3.115 1.00 0.00 O ATOM 1151 CB THR A 85 14.013 0.714 -1.752 1.00 0.00 C ATOM 1152 OG1 THR A 85 14.448 1.682 -0.800 1.00 0.00 O ATOM 1153 CG2 THR A 85 13.760 -0.542 -0.916 1.00 0.00 C ATOM 0 H THR A 85 15.859 2.182 -3.850 1.00 0.00 H new ATOM 0 HA THR A 85 16.116 0.720 -2.122 1.00 0.00 H new ATOM 0 HB THR A 85 13.120 0.950 -2.331 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.759 2.485 -1.268 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.903 -0.378 -0.263 1.00 0.00 H new ATOM 0 HG22 THR A 85 13.556 -1.384 -1.577 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.641 -0.760 -0.312 1.00 0.00 H new ATOM 1161 N VAL A 86 14.279 -1.261 -3.980 1.00 0.00 N ATOM 1162 CA VAL A 86 14.261 -2.574 -4.598 1.00 0.00 C ATOM 1163 C VAL A 86 13.721 -3.597 -3.597 1.00 0.00 C ATOM 1164 O VAL A 86 13.067 -4.565 -3.984 1.00 0.00 O ATOM 1165 CB VAL A 86 15.654 -2.927 -5.122 1.00 0.00 C ATOM 1166 CG1 VAL A 86 15.586 -4.077 -6.131 1.00 0.00 C ATOM 1167 CG2 VAL A 86 16.336 -1.702 -5.734 1.00 0.00 C ATOM 0 H VAL A 86 13.432 -0.711 -4.124 1.00 0.00 H new ATOM 0 HA VAL A 86 13.594 -2.580 -5.460 1.00 0.00 H new ATOM 0 HB VAL A 86 16.256 -3.258 -4.276 1.00 0.00 H new ATOM 0 HG11 VAL A 86 16.590 -4.308 -6.488 1.00 0.00 H new ATOM 0 HG12 VAL A 86 15.160 -4.958 -5.651 1.00 0.00 H new ATOM 0 HG13 VAL A 86 14.960 -3.785 -6.974 1.00 0.00 H new ATOM 0 HG21 VAL A 86 17.325 -1.980 -6.099 1.00 0.00 H new ATOM 0 HG22 VAL A 86 15.735 -1.327 -6.563 1.00 0.00 H new ATOM 0 HG23 VAL A 86 16.434 -0.924 -4.977 1.00 0.00 H new ATOM 1177 N ASP A 87 14.016 -3.349 -2.329 1.00 0.00 N ATOM 1178 CA ASP A 87 13.568 -4.237 -1.268 1.00 0.00 C ATOM 1179 C ASP A 87 13.087 -3.401 -0.080 1.00 0.00 C ATOM 1180 O ASP A 87 13.871 -2.684 0.538 1.00 0.00 O ATOM 1181 CB ASP A 87 14.710 -5.133 -0.786 1.00 0.00 C ATOM 1182 CG ASP A 87 14.271 -6.367 0.005 1.00 0.00 C ATOM 1183 OD1 ASP A 87 13.090 -6.389 0.416 1.00 0.00 O ATOM 1184 OD2 ASP A 87 15.126 -7.263 0.181 1.00 0.00 O ATOM 0 H ASP A 87 14.560 -2.546 -2.012 1.00 0.00 H new ATOM 0 HA ASP A 87 12.763 -4.858 -1.661 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.286 -5.460 -1.652 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.380 -4.540 -0.164 1.00 0.00 H new ATOM 1190 N CYS A 88 11.800 -3.524 0.204 1.00 0.00 N ATOM 1191 CA CYS A 88 11.203 -2.791 1.308 1.00 0.00 C ATOM 1192 C CYS A 88 11.331 -3.640 2.575 1.00 0.00 C ATOM 1193 O CYS A 88 10.332 -3.935 3.230 1.00 0.00 O ATOM 1194 CB CYS A 88 9.748 -2.413 1.017 1.00 0.00 C ATOM 1195 SG CYS A 88 8.822 -1.766 2.455 1.00 0.00 S ATOM 0 H CYS A 88 11.153 -4.121 -0.311 1.00 0.00 H new ATOM 0 HA CYS A 88 11.732 -1.849 1.449 1.00 0.00 H new ATOM 0 HB2 CYS A 88 9.733 -1.663 0.226 1.00 0.00 H new ATOM 0 HB3 CYS A 88 9.229 -3.291 0.633 1.00 0.00 H new ATOM 1200 N THR A 89 12.566 -4.010 2.879 1.00 0.00 N ATOM 1201 CA THR A 89 12.835 -4.819 4.053 1.00 0.00 C ATOM 1202 C THR A 89 13.245 -3.931 5.231 1.00 0.00 C ATOM 1203 O THR A 89 13.229 -4.370 6.379 1.00 0.00 O ATOM 1204 CB THR A 89 13.895 -5.857 3.681 1.00 0.00 C ATOM 1205 OG1 THR A 89 14.146 -6.553 4.898 1.00 0.00 O ATOM 1206 CG2 THR A 89 15.242 -5.221 3.330 1.00 0.00 C ATOM 0 H THR A 89 13.391 -3.764 2.332 1.00 0.00 H new ATOM 0 HA THR A 89 11.940 -5.349 4.380 1.00 0.00 H new ATOM 0 HB THR A 89 13.541 -6.447 2.835 1.00 0.00 H new ATOM 0 HG1 THR A 89 14.822 -7.246 4.745 1.00 0.00 H new ATOM 0 HG21 THR A 89 15.958 -6.002 3.074 1.00 0.00 H new ATOM 0 HG22 THR A 89 15.117 -4.550 2.480 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.612 -4.657 4.186 1.00 0.00 H new ATOM 1214 N THR A 90 13.600 -2.697 4.905 1.00 0.00 N ATOM 1215 CA THR A 90 14.011 -1.743 5.920 1.00 0.00 C ATOM 1216 C THR A 90 12.799 -0.979 6.458 1.00 0.00 C ATOM 1217 O THR A 90 12.538 -0.990 7.659 1.00 0.00 O ATOM 1218 CB THR A 90 15.080 -0.833 5.310 1.00 0.00 C ATOM 1219 OG1 THR A 90 16.245 -1.652 5.261 1.00 0.00 O ATOM 1220 CG2 THR A 90 15.470 0.317 6.239 1.00 0.00 C ATOM 0 H THR A 90 13.611 -2.336 3.951 1.00 0.00 H new ATOM 0 HA THR A 90 14.446 -2.248 6.782 1.00 0.00 H new ATOM 0 HB THR A 90 14.716 -0.428 4.366 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.988 -1.141 4.877 1.00 0.00 H new ATOM 0 HG21 THR A 90 16.231 0.931 5.758 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.592 0.927 6.451 1.00 0.00 H new ATOM 0 HG23 THR A 90 15.865 -0.086 7.171 1.00 0.00 H new ATOM 1228 N ALA A 91 12.090 -0.338 5.541 1.00 0.00 N ATOM 1229 CA ALA A 91 10.912 0.430 5.909 1.00 0.00 C ATOM 1230 C ALA A 91 9.675 -0.468 5.812 1.00 0.00 C ATOM 1231 O ALA A 91 9.681 -1.461 5.089 1.00 0.00 O ATOM 1232 CB ALA A 91 10.808 1.666 5.013 1.00 0.00 C ATOM 0 H ALA A 91 12.308 -0.334 4.545 1.00 0.00 H new ATOM 0 HA ALA A 91 10.986 0.780 6.939 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.925 2.242 5.289 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.698 2.283 5.139 1.00 0.00 H new ATOM 0 HB3 ALA A 91 10.727 1.355 3.972 1.00 0.00 H new ATOM 1238 N ALA A 92 8.645 -0.079 6.551 1.00 0.00 N ATOM 1239 CA ALA A 92 7.404 -0.837 6.558 1.00 0.00 C ATOM 1240 C ALA A 92 6.496 -0.326 5.440 1.00 0.00 C ATOM 1241 O ALA A 92 6.160 0.857 5.402 1.00 0.00 O ATOM 1242 CB ALA A 92 6.751 -0.732 7.938 1.00 0.00 C ATOM 0 H ALA A 92 8.644 0.749 7.147 1.00 0.00 H new ATOM 0 HA ALA A 92 7.595 -1.893 6.369 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.821 -1.300 7.944 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.427 -1.135 8.692 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.539 0.314 8.162 1.00 0.00 H new ATOM 1248 N CYS A 93 6.123 -1.241 4.560 1.00 0.00 N ATOM 1249 CA CYS A 93 5.257 -0.897 3.444 1.00 0.00 C ATOM 1250 C CYS A 93 3.803 -1.013 3.909 1.00 0.00 C ATOM 1251 O CYS A 93 3.365 -2.081 4.331 1.00 0.00 O ATOM 1252 CB CYS A 93 5.536 -1.774 2.221 1.00 0.00 C ATOM 1253 SG CYS A 93 7.106 -2.712 2.290 1.00 0.00 S ATOM 0 H CYS A 93 6.404 -2.221 4.596 1.00 0.00 H new ATOM 0 HA CYS A 93 5.456 0.127 3.129 1.00 0.00 H new ATOM 0 HB2 CYS A 93 4.713 -2.479 2.102 1.00 0.00 H new ATOM 0 HB3 CYS A 93 5.546 -1.142 1.333 1.00 0.00 H new ATOM 1258 N GLN A 94 3.094 0.104 3.813 1.00 0.00 N ATOM 1259 CA GLN A 94 1.701 0.142 4.218 1.00 0.00 C ATOM 1260 C GLN A 94 0.789 0.022 2.998 1.00 0.00 C ATOM 1261 O GLN A 94 0.791 0.891 2.130 1.00 0.00 O ATOM 1262 CB GLN A 94 1.394 1.417 5.009 1.00 0.00 C ATOM 1263 CG GLN A 94 2.139 1.426 6.346 1.00 0.00 C ATOM 1264 CD GLN A 94 2.660 2.827 6.673 1.00 0.00 C ATOM 1265 OE1 GLN A 94 2.301 3.812 6.049 1.00 0.00 O ATOM 1266 NE2 GLN A 94 3.523 2.859 7.683 1.00 0.00 N ATOM 0 H GLN A 94 3.460 0.988 3.460 1.00 0.00 H new ATOM 0 HA GLN A 94 1.511 -0.708 4.873 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.680 2.290 4.423 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.321 1.490 5.186 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.473 1.087 7.140 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.972 0.724 6.307 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.780 1.996 8.162 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.928 3.747 7.979 1.00 0.00 H new ATOM 1275 N VAL A 95 0.032 -1.064 2.969 1.00 0.00 N ATOM 1276 CA VAL A 95 -0.883 -1.312 1.867 1.00 0.00 C ATOM 1277 C VAL A 95 -2.235 -0.666 2.179 1.00 0.00 C ATOM 1278 O VAL A 95 -2.842 -0.953 3.210 1.00 0.00 O ATOM 1279 CB VAL A 95 -0.986 -2.814 1.600 1.00 0.00 C ATOM 1280 CG1 VAL A 95 -1.859 -3.094 0.374 1.00 0.00 C ATOM 1281 CG2 VAL A 95 0.400 -3.440 1.439 1.00 0.00 C ATOM 0 H VAL A 95 0.033 -1.784 3.692 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.509 -0.858 0.950 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.463 -3.275 2.465 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.916 -4.169 0.206 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.861 -2.700 0.543 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.422 -2.613 -0.501 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.297 -4.509 1.250 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.916 -2.971 0.601 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.977 -3.287 2.351 1.00 0.00 H new ATOM 1291 N GLY A 96 -2.667 0.195 1.270 1.00 0.00 N ATOM 1292 CA GLY A 96 -3.936 0.884 1.434 1.00 0.00 C ATOM 1293 C GLY A 96 -4.298 1.675 0.175 1.00 0.00 C ATOM 1294 O GLY A 96 -3.497 1.768 -0.756 1.00 0.00 O ATOM 0 H GLY A 96 -2.161 0.432 0.417 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.721 0.160 1.651 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.880 1.559 2.288 1.00 0.00 H new ATOM 1298 N LEU A 97 -5.503 2.224 0.186 1.00 0.00 N ATOM 1299 CA LEU A 97 -5.980 3.005 -0.943 1.00 0.00 C ATOM 1300 C LEU A 97 -5.963 4.489 -0.576 1.00 0.00 C ATOM 1301 O LEU A 97 -6.529 4.887 0.442 1.00 0.00 O ATOM 1302 CB LEU A 97 -7.350 2.501 -1.402 1.00 0.00 C ATOM 1303 CG LEU A 97 -8.382 2.264 -0.298 1.00 0.00 C ATOM 1304 CD1 LEU A 97 -9.685 3.007 -0.598 1.00 0.00 C ATOM 1305 CD2 LEU A 97 -8.613 0.769 -0.073 1.00 0.00 C ATOM 0 H LEU A 97 -6.164 2.144 0.959 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.316 2.881 -1.799 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -7.762 3.222 -2.108 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -7.208 1.567 -1.946 1.00 0.00 H new ATOM 0 HG LEU A 97 -7.986 2.671 0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -10.402 2.822 0.202 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -9.486 4.077 -0.667 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -10.097 2.653 -1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -9.351 0.630 0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -8.977 0.314 -0.994 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -7.675 0.296 0.219 1.00 0.00 H new ATOM 1317 N SER A 98 -5.308 5.267 -1.424 1.00 0.00 N ATOM 1318 CA SER A 98 -5.211 6.700 -1.201 1.00 0.00 C ATOM 1319 C SER A 98 -6.143 7.445 -2.158 1.00 0.00 C ATOM 1320 O SER A 98 -6.703 6.846 -3.075 1.00 0.00 O ATOM 1321 CB SER A 98 -3.770 7.189 -1.377 1.00 0.00 C ATOM 1322 OG SER A 98 -3.080 7.272 -0.133 1.00 0.00 O ATOM 0 H SER A 98 -4.839 4.933 -2.266 1.00 0.00 H new ATOM 0 HA SER A 98 -5.515 6.906 -0.175 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.236 6.512 -2.044 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.775 8.169 -1.855 1.00 0.00 H new ATOM 0 HG SER A 98 -3.618 7.785 0.506 1.00 0.00 H new ATOM 1328 N ASP A 99 -6.280 8.740 -1.913 1.00 0.00 N ATOM 1329 CA ASP A 99 -7.136 9.571 -2.743 1.00 0.00 C ATOM 1330 C ASP A 99 -6.569 9.618 -4.165 1.00 0.00 C ATOM 1331 O ASP A 99 -5.398 9.314 -4.380 1.00 0.00 O ATOM 1332 CB ASP A 99 -7.194 11.004 -2.210 1.00 0.00 C ATOM 1333 CG ASP A 99 -7.014 11.139 -0.696 1.00 0.00 C ATOM 1334 OD1 ASP A 99 -7.156 10.102 -0.014 1.00 0.00 O ATOM 1335 OD2 ASP A 99 -6.738 12.276 -0.258 1.00 0.00 O ATOM 0 H ASP A 99 -5.813 9.234 -1.152 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.138 9.141 -2.733 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -6.422 11.592 -2.706 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -8.154 11.440 -2.487 1.00 0.00 H new ATOM 1341 N ALA A 100 -7.431 10.002 -5.097 1.00 0.00 N ATOM 1342 CA ALA A 100 -7.032 10.092 -6.491 1.00 0.00 C ATOM 1343 C ALA A 100 -5.779 10.965 -6.603 1.00 0.00 C ATOM 1344 O ALA A 100 -5.033 10.863 -7.576 1.00 0.00 O ATOM 1345 CB ALA A 100 -8.196 10.636 -7.321 1.00 0.00 C ATOM 0 H ALA A 100 -8.402 10.254 -4.914 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.784 9.106 -6.883 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -7.897 10.704 -8.367 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.051 9.966 -7.231 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.471 11.626 -6.957 1.00 0.00 H new ATOM 1351 N ALA A 101 -5.588 11.803 -5.596 1.00 0.00 N ATOM 1352 CA ALA A 101 -4.440 12.692 -5.568 1.00 0.00 C ATOM 1353 C ALA A 101 -3.241 11.952 -4.970 1.00 0.00 C ATOM 1354 O ALA A 101 -2.095 12.271 -5.276 1.00 0.00 O ATOM 1355 CB ALA A 101 -4.793 13.959 -4.786 1.00 0.00 C ATOM 0 H ALA A 101 -6.210 11.885 -4.792 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.168 12.998 -6.578 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.931 14.626 -4.765 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.630 14.463 -5.269 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.070 13.692 -3.766 1.00 0.00 H new ATOM 1361 N GLY A 102 -3.550 10.978 -4.125 1.00 0.00 N ATOM 1362 CA GLY A 102 -2.511 10.190 -3.481 1.00 0.00 C ATOM 1363 C GLY A 102 -2.264 10.675 -2.051 1.00 0.00 C ATOM 1364 O GLY A 102 -1.239 10.353 -1.452 1.00 0.00 O ATOM 0 H GLY A 102 -4.503 10.717 -3.872 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.802 9.140 -3.468 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.588 10.258 -4.057 1.00 0.00 H new ATOM 1368 N ASN A 103 -3.220 11.442 -1.545 1.00 0.00 N ATOM 1369 CA ASN A 103 -3.118 11.972 -0.197 1.00 0.00 C ATOM 1370 C ASN A 103 -3.872 11.055 0.766 1.00 0.00 C ATOM 1371 O ASN A 103 -4.758 10.308 0.354 1.00 0.00 O ATOM 1372 CB ASN A 103 -3.742 13.367 -0.107 1.00 0.00 C ATOM 1373 CG ASN A 103 -2.841 14.414 -0.768 1.00 0.00 C ATOM 1374 OD1 ASN A 103 -1.632 14.418 -0.609 1.00 0.00 O ATOM 1375 ND2 ASN A 103 -3.498 15.301 -1.512 1.00 0.00 N ATOM 0 H ASN A 103 -4.068 11.708 -2.045 1.00 0.00 H new ATOM 0 HA ASN A 103 -2.061 12.030 0.064 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -4.719 13.365 -0.591 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -3.905 13.630 0.938 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -2.987 16.042 -1.992 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -4.512 15.239 -1.602 1.00 0.00 H new ATOM 1382 N GLY A 104 -3.492 11.140 2.033 1.00 0.00 N ATOM 1383 CA GLY A 104 -4.123 10.327 3.060 1.00 0.00 C ATOM 1384 C GLY A 104 -3.265 9.103 3.392 1.00 0.00 C ATOM 1385 O GLY A 104 -3.072 8.229 2.549 1.00 0.00 O ATOM 0 H GLY A 104 -2.755 11.759 2.372 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -4.275 10.924 3.959 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -5.107 10.005 2.721 1.00 0.00 H new ATOM 1389 N PRO A 105 -2.760 9.081 4.652 1.00 0.00 N ATOM 1390 CA PRO A 105 -1.927 7.980 5.108 1.00 0.00 C ATOM 1391 C PRO A 105 -2.771 6.734 5.386 1.00 0.00 C ATOM 1392 O PRO A 105 -2.694 6.157 6.469 1.00 0.00 O ATOM 1393 CB PRO A 105 -1.219 8.506 6.345 1.00 0.00 C ATOM 1394 CG PRO A 105 -2.025 9.710 6.806 1.00 0.00 C ATOM 1395 CD PRO A 105 -2.967 10.099 5.679 1.00 0.00 C ATOM 0 HA PRO A 105 -1.203 7.662 4.358 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -1.175 7.744 7.123 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -0.191 8.788 6.117 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -2.588 9.470 7.708 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.363 10.540 7.054 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -4.003 10.115 6.017 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -2.740 11.095 5.300 1.00 0.00 H new ATOM 1403 N GLU A 106 -3.557 6.356 4.389 1.00 0.00 N ATOM 1404 CA GLU A 106 -4.413 5.188 4.512 1.00 0.00 C ATOM 1405 C GLU A 106 -3.678 3.938 4.028 1.00 0.00 C ATOM 1406 O GLU A 106 -3.558 3.710 2.824 1.00 0.00 O ATOM 1407 CB GLU A 106 -5.722 5.386 3.746 1.00 0.00 C ATOM 1408 CG GLU A 106 -6.872 5.709 4.703 1.00 0.00 C ATOM 1409 CD GLU A 106 -7.096 4.568 5.698 1.00 0.00 C ATOM 1410 OE1 GLU A 106 -7.661 4.856 6.774 1.00 0.00 O ATOM 1411 OE2 GLU A 106 -6.694 3.434 5.359 1.00 0.00 O ATOM 0 H GLU A 106 -3.619 6.838 3.492 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.663 5.053 5.564 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.607 6.194 3.024 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.957 4.484 3.180 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -6.652 6.630 5.244 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -7.785 5.884 4.134 1.00 0.00 H new ATOM 1419 N GLY A 107 -3.206 3.157 4.988 1.00 0.00 N ATOM 1420 CA GLY A 107 -2.486 1.935 4.675 1.00 0.00 C ATOM 1421 C GLY A 107 -1.941 1.276 5.944 1.00 0.00 C ATOM 1422 O GLY A 107 -1.534 1.965 6.878 1.00 0.00 O ATOM 0 H GLY A 107 -3.308 3.347 5.985 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -3.149 1.241 4.157 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -1.664 2.158 3.995 1.00 0.00 H new ATOM 1426 N VAL A 108 -1.954 -0.047 5.938 1.00 0.00 N ATOM 1427 CA VAL A 108 -1.467 -0.805 7.080 1.00 0.00 C ATOM 1428 C VAL A 108 -0.109 -1.419 6.734 1.00 0.00 C ATOM 1429 O VAL A 108 0.043 -2.057 5.692 1.00 0.00 O ATOM 1430 CB VAL A 108 -2.507 -1.848 7.497 1.00 0.00 C ATOM 1431 CG1 VAL A 108 -2.470 -3.062 6.565 1.00 0.00 C ATOM 1432 CG2 VAL A 108 -2.305 -2.271 8.953 1.00 0.00 C ATOM 0 H VAL A 108 -2.293 -0.615 5.162 1.00 0.00 H new ATOM 0 HA VAL A 108 -1.320 -0.151 7.940 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.493 -1.390 7.414 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.218 -3.788 6.883 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.684 -2.744 5.545 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.481 -3.520 6.603 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.057 -3.012 9.224 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.311 -2.702 9.072 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.403 -1.401 9.602 1.00 0.00 H new ATOM 1442 N ALA A 109 0.845 -1.207 7.629 1.00 0.00 N ATOM 1443 CA ALA A 109 2.185 -1.732 7.433 1.00 0.00 C ATOM 1444 C ALA A 109 2.131 -3.262 7.403 1.00 0.00 C ATOM 1445 O ALA A 109 2.224 -3.909 8.444 1.00 0.00 O ATOM 1446 CB ALA A 109 3.107 -1.204 8.533 1.00 0.00 C ATOM 0 H ALA A 109 0.716 -0.679 8.492 1.00 0.00 H new ATOM 0 HA ALA A 109 2.591 -1.397 6.478 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.112 -1.598 8.385 1.00 0.00 H new ATOM 0 HB2 ALA A 109 3.135 -0.115 8.493 1.00 0.00 H new ATOM 0 HB3 ALA A 109 2.732 -1.522 9.506 1.00 0.00 H new ATOM 1452 N ILE A 110 1.981 -3.793 6.200 1.00 0.00 N ATOM 1453 CA ILE A 110 1.913 -5.232 6.022 1.00 0.00 C ATOM 1454 C ILE A 110 3.222 -5.730 5.405 1.00 0.00 C ATOM 1455 O ILE A 110 3.763 -5.098 4.497 1.00 0.00 O ATOM 1456 CB ILE A 110 0.670 -5.615 5.213 1.00 0.00 C ATOM 1457 CG1 ILE A 110 -0.093 -6.756 5.888 1.00 0.00 C ATOM 1458 CG2 ILE A 110 1.037 -5.946 3.766 1.00 0.00 C ATOM 1459 CD1 ILE A 110 -1.390 -6.252 6.521 1.00 0.00 C ATOM 0 H ILE A 110 1.905 -3.252 5.338 1.00 0.00 H new ATOM 0 HA ILE A 110 1.805 -5.728 6.987 1.00 0.00 H new ATOM 0 HB ILE A 110 0.002 -4.754 5.185 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -0.319 -7.530 5.155 1.00 0.00 H new ATOM 0 HG13 ILE A 110 0.534 -7.215 6.652 1.00 0.00 H new ATOM 0 HG21 ILE A 110 0.136 -6.214 3.214 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.502 -5.077 3.301 1.00 0.00 H new ATOM 0 HG23 ILE A 110 1.735 -6.783 3.750 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.912 -7.084 6.993 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -1.159 -5.496 7.271 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -2.026 -5.816 5.750 1.00 0.00 H new ATOM 1471 N SER A 111 3.694 -6.854 5.922 1.00 0.00 N ATOM 1472 CA SER A 111 4.930 -7.440 5.436 1.00 0.00 C ATOM 1473 C SER A 111 5.529 -8.361 6.501 1.00 0.00 C ATOM 1474 O SER A 111 5.905 -9.495 6.206 1.00 0.00 O ATOM 1475 CB SER A 111 5.938 -6.357 5.043 1.00 0.00 C ATOM 1476 OG SER A 111 5.955 -5.281 5.977 1.00 0.00 O ATOM 0 H SER A 111 3.242 -7.375 6.674 1.00 0.00 H new ATOM 0 HA SER A 111 4.702 -8.026 4.546 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.934 -6.795 4.976 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.691 -5.974 4.053 1.00 0.00 H new ATOM 0 HG SER A 111 5.398 -4.548 5.641 1.00 0.00 H new ATOM 1482 N PHE A 112 5.597 -7.839 7.716 1.00 0.00 N ATOM 1483 CA PHE A 112 6.143 -8.601 8.827 1.00 0.00 C ATOM 1484 C PHE A 112 5.955 -7.853 10.149 1.00 0.00 C ATOM 1485 O PHE A 112 5.602 -6.673 10.155 1.00 0.00 O ATOM 1486 CB PHE A 112 7.641 -8.770 8.560 1.00 0.00 C ATOM 1487 CG PHE A 112 8.049 -10.196 8.190 1.00 0.00 C ATOM 1488 CD1 PHE A 112 8.112 -11.157 9.151 1.00 0.00 C ATOM 1489 CD2 PHE A 112 8.351 -10.505 6.900 1.00 0.00 C ATOM 1490 CE1 PHE A 112 8.492 -12.481 8.808 1.00 0.00 C ATOM 1491 CE2 PHE A 112 8.730 -11.828 6.557 1.00 0.00 C ATOM 1492 CZ PHE A 112 8.792 -12.789 7.518 1.00 0.00 C ATOM 0 H PHE A 112 5.284 -6.899 7.956 1.00 0.00 H new ATOM 0 HA PHE A 112 5.633 -9.561 8.907 1.00 0.00 H new ATOM 0 HB2 PHE A 112 7.934 -8.098 7.753 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.195 -8.463 9.447 1.00 0.00 H new ATOM 0 HD1 PHE A 112 7.873 -10.912 10.175 1.00 0.00 H new ATOM 0 HD2 PHE A 112 8.302 -9.742 6.137 1.00 0.00 H new ATOM 0 HE1 PHE A 112 8.543 -13.243 9.571 1.00 0.00 H new ATOM 0 HE2 PHE A 112 8.969 -12.073 5.533 1.00 0.00 H new ATOM 0 HZ PHE A 112 9.080 -13.797 7.256 1.00 0.00 H new ATOM 1502 N ASN A 113 6.197 -8.570 11.238 1.00 0.00 N ATOM 1503 CA ASN A 113 6.056 -7.989 12.561 1.00 0.00 C ATOM 1504 C ASN A 113 6.937 -6.741 12.662 1.00 0.00 C ATOM 1505 O ASN A 113 8.148 -6.815 12.472 1.00 0.00 O ATOM 1506 CB ASN A 113 6.508 -8.973 13.644 1.00 0.00 C ATOM 1507 CG ASN A 113 5.436 -9.125 14.726 1.00 0.00 C ATOM 1508 OD1 ASN A 113 4.782 -10.146 14.851 1.00 0.00 O ATOM 1509 ND2 ASN A 113 5.296 -8.052 15.501 1.00 0.00 N ATOM 0 H ASN A 113 6.490 -9.547 11.230 1.00 0.00 H new ATOM 0 HA ASN A 113 5.005 -7.742 12.711 1.00 0.00 H new ATOM 0 HB2 ASN A 113 6.717 -9.944 13.195 1.00 0.00 H new ATOM 0 HB3 ASN A 113 7.437 -8.623 14.094 1.00 0.00 H new ATOM 0 HD21 ASN A 113 4.608 -8.053 16.254 1.00 0.00 H new ATOM 0 HD22 ASN A 113 5.877 -7.229 15.342 1.00 0.00 H new TER 1516 ASN A 113 HETATM 1517 C1 NCZ A 130 0.545 7.128 0.909 1.00 0.00 C HETATM 1518 C6 NCZ A 130 0.147 6.795 -0.389 1.00 0.00 C HETATM 1519 C5 NCZ A 130 -0.767 5.734 -0.566 1.00 0.00 C HETATM 1520 C7 NCZ A 130 -1.183 5.349 -1.835 1.00 0.00 C HETATM 1521 C8 NCZ A 130 -0.660 5.992 -2.942 1.00 0.00 C HETATM 1522 C9 NCZ A 130 0.258 7.045 -2.793 1.00 0.00 C HETATM 1523 C10 NCZ A 130 0.650 7.501 -1.503 1.00 0.00 C HETATM 1524 C11 NCZ A 130 1.205 8.828 -1.356 1.00 0.00 C HETATM 1525 O3 NCZ A 130 1.793 9.357 -2.300 1.00 0.00 O HETATM 1526 O4 NCZ A 130 1.158 9.611 -0.115 1.00 0.00 O HETATM 1527 C12 NCZ A 130 1.896 10.877 -0.054 1.00 0.00 C HETATM 1528 C13 NCZ A 130 2.735 10.987 1.223 1.00 0.00 C HETATM 1529 C14 NCZ A 130 2.050 11.683 2.139 1.00 0.00 C HETATM 1530 C15 NCZ A 130 0.839 12.340 1.588 1.00 0.00 C HETATM 1531 C16 NCZ A 130 0.909 12.047 0.075 1.00 0.00 C HETATM 1532 O6 NCZ A 130 1.386 13.247 -0.597 1.00 0.00 O HETATM 1533 O5 NCZ A 130 3.961 11.665 0.941 1.00 0.00 O HETATM 1534 O2 NCZ A 130 0.731 7.646 -3.972 1.00 0.00 O HETATM 1535 C4 NCZ A 130 -1.260 5.096 0.547 1.00 0.00 C HETATM 1536 C3 NCZ A 130 -0.849 5.466 1.820 1.00 0.00 C HETATM 1537 C2 NCZ A 130 0.059 6.480 2.013 1.00 0.00 C HETATM 1538 O1 NCZ A 130 0.447 6.800 3.305 1.00 0.00 O HETATM 1539 C17 NCZ A 130 1.030 8.055 3.710 1.00 0.00 C HETATM 1540 C18 NCZ A 130 -2.263 3.990 0.451 1.00 0.00 C HETATM 0 H183 NCZ A 130 -3.166 4.359 -0.036 1.00 0.00 H new HETATM 0 H182 NCZ A 130 -1.845 3.170 -0.133 1.00 0.00 H new HETATM 0 H181 NCZ A 130 -2.510 3.635 1.451 1.00 0.00 H new HETATM 0 H173 NCZ A 130 1.960 8.217 3.165 1.00 0.00 H new HETATM 0 H172 NCZ A 130 0.335 8.866 3.492 1.00 0.00 H new HETATM 0 H171 NCZ A 130 1.236 8.032 4.780 1.00 0.00 H new HETATM 0 H8 NCZ A 130 -0.963 5.678 -3.941 1.00 0.00 H new HETATM 0 H7 NCZ A 130 -1.913 4.549 -1.956 1.00 0.00 H new HETATM 0 H6 NCZ A 130 0.636 13.861 -0.741 1.00 0.00 H new HETATM 0 H5 NCZ A 130 3.830 12.277 0.187 1.00 0.00 H new HETATM 0 H3 NCZ A 130 -1.255 4.941 2.685 1.00 0.00 H new HETATM 0 H2 NCZ A 130 1.700 7.517 -4.039 1.00 0.00 H new HETATM 0 H16 NCZ A 130 -0.048 11.785 -0.376 1.00 0.00 H new HETATM 0 H15 NCZ A 130 0.076 12.901 2.128 1.00 0.00 H new HETATM 0 H14 NCZ A 130 2.351 11.759 3.184 1.00 0.00 H new HETATM 0 H13 NCZ A 130 2.953 9.987 1.599 1.00 0.00 H new HETATM 0 H12 NCZ A 130 2.510 10.908 -0.954 1.00 0.00 H new HETATM 0 H1 NCZ A 130 1.268 7.932 1.047 1.00 0.00 H new