USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 560 hydrogens (30 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 10 ZAB HN2 : A 10 ZAB N : A 9 GLY C :(H bumps) USER MOD NoAdj-H: B 110 ZAB HN2 : B 110 ZAB N : B 9 GLY C :(H bumps) USER MOD NoAdj-H: B 110 ZAB HN1 : B 110 ZAB N : B 9 GLY C :(H bumps) USER MOD Set 1.1: D 27 ASN : amide:sc= 0.334 K(o=0.6,f=-0.17) USER MOD Set 1.2: D 32 HIS : no HD1:sc= 0.266 K(o=0.6,f=-4.1!) USER MOD Set 2.1: C 27 ASN : amide:sc= -0.596 K(o=-1,f=-4.8!) USER MOD Set 2.2: C 32 HIS : no HE2:sc= -0.41 K(o=-1,f=-3.5) USER MOD Set 2.3: C 34 TYR OH : rot 0:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0985 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.0908 X(o=-0.091,f=-0.56) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 30:sc= 0 USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 4 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.58) USER MOD Single : B 6 THR OG1 : rot 180:sc= 0 USER MOD Single : B 7 TYR OH : rot 180:sc= 0 USER MOD Single : C 19 TYR OH : rot 180:sc= 0 USER MOD Single : C 20 ASN : amide:sc= -0.183 K(o=-0.18,f=-1.4!) USER MOD Single : C 23 GLN : amide:sc= -0.196 X(o=-0.2,f=-0.075) USER MOD Single : C 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 25 TYR OH : rot 33:sc= 0.333 USER MOD Single : C 30 THR OG1 : rot -76:sc= 1.14 USER MOD Single : D 19 TYR OH : rot -18:sc= 0.309 USER MOD Single : D 20 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : D 23 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : D 24 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : D 25 TYR OH : rot 27:sc= 0.311 USER MOD Single : D 30 THR OG1 : rot -83:sc= 0.996 USER MOD Single : D 34 TYR OH : rot 180:sc= -0.0855 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.855 -2.514 6.004 1.00 0.00 N ATOM 2 CA GLY A 1 21.443 -2.426 5.596 1.00 0.00 C ATOM 3 C GLY A 1 20.665 -3.503 6.325 1.00 0.00 C ATOM 4 O GLY A 1 21.004 -3.772 7.476 1.00 0.00 O ATOM 0 H1 GLY A 1 23.204 -1.567 6.254 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.940 -3.143 6.828 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.420 -2.895 5.218 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.041 -1.441 5.834 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.351 -2.556 4.518 1.00 0.00 H new ATOM 8 N PRO A 2 19.599 -4.066 5.732 1.00 0.00 N ATOM 9 CA PRO A 2 18.851 -5.132 6.383 1.00 0.00 C ATOM 10 C PRO A 2 19.814 -6.310 6.568 1.00 0.00 C ATOM 11 O PRO A 2 20.603 -6.606 5.666 1.00 0.00 O ATOM 12 CB PRO A 2 17.695 -5.469 5.444 1.00 0.00 C ATOM 13 CG PRO A 2 18.206 -5.031 4.070 1.00 0.00 C ATOM 14 CD PRO A 2 19.110 -3.837 4.381 1.00 0.00 C ATOM 0 HA PRO A 2 18.451 -4.865 7.361 1.00 0.00 H new ATOM 0 HB2 PRO A 2 17.460 -6.533 5.464 1.00 0.00 H new ATOM 0 HB3 PRO A 2 16.785 -4.937 5.721 1.00 0.00 H new ATOM 0 HG2 PRO A 2 18.756 -5.831 3.574 1.00 0.00 H new ATOM 0 HG3 PRO A 2 17.386 -4.751 3.409 1.00 0.00 H new ATOM 0 HD2 PRO A 2 19.934 -3.772 3.670 1.00 0.00 H new ATOM 0 HD3 PRO A 2 18.559 -2.899 4.316 1.00 0.00 H new ATOM 22 N SER A 3 19.840 -6.909 7.754 1.00 0.00 N ATOM 23 CA SER A 3 20.721 -8.021 8.050 1.00 0.00 C ATOM 24 C SER A 3 20.260 -9.275 7.311 1.00 0.00 C ATOM 25 O SER A 3 21.095 -10.093 6.933 1.00 0.00 O ATOM 26 CB SER A 3 20.738 -8.235 9.566 1.00 0.00 C ATOM 27 OG SER A 3 21.777 -9.114 9.923 1.00 0.00 O ATOM 0 H SER A 3 19.247 -6.632 8.536 1.00 0.00 H new ATOM 0 HA SER A 3 21.733 -7.803 7.710 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.870 -7.280 10.074 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.781 -8.640 9.894 1.00 0.00 H new ATOM 0 HG SER A 3 21.778 -9.241 10.895 1.00 0.00 H new ATOM 33 N GLN A 4 18.955 -9.437 7.081 1.00 0.00 N ATOM 34 CA GLN A 4 18.393 -10.610 6.412 1.00 0.00 C ATOM 35 C GLN A 4 17.060 -10.274 5.718 1.00 0.00 C ATOM 36 O GLN A 4 16.574 -9.147 5.858 1.00 0.00 O ATOM 37 CB GLN A 4 18.209 -11.697 7.499 1.00 0.00 C ATOM 38 CG GLN A 4 19.328 -12.755 7.498 1.00 0.00 C ATOM 39 CD GLN A 4 20.381 -12.520 8.574 1.00 0.00 C ATOM 40 OE1 GLN A 4 20.045 -12.321 9.740 1.00 0.00 O ATOM 41 NE2 GLN A 4 21.616 -12.904 8.314 1.00 0.00 N ATOM 0 H GLN A 4 18.253 -8.750 7.357 1.00 0.00 H new ATOM 0 HA GLN A 4 19.059 -10.963 5.625 1.00 0.00 H new ATOM 0 HB2 GLN A 4 18.171 -11.219 8.478 1.00 0.00 H new ATOM 0 HB3 GLN A 4 17.250 -12.193 7.349 1.00 0.00 H new ATOM 0 HG2 GLN A 4 18.886 -13.741 7.641 1.00 0.00 H new ATOM 0 HG3 GLN A 4 19.812 -12.761 6.521 1.00 0.00 H new ATOM 0 HE21 GLN A 4 21.906 -13.072 7.351 1.00 0.00 H new ATOM 0 HE22 GLN A 4 22.281 -13.033 9.076 1.00 0.00 H new ATOM 50 N PRO A 5 16.426 -11.217 4.989 1.00 0.00 N ATOM 51 CA PRO A 5 15.155 -10.964 4.320 1.00 0.00 C ATOM 52 C PRO A 5 13.994 -10.928 5.330 1.00 0.00 C ATOM 53 O PRO A 5 13.408 -11.958 5.670 1.00 0.00 O ATOM 54 CB PRO A 5 15.013 -12.088 3.289 1.00 0.00 C ATOM 55 CG PRO A 5 15.722 -13.267 3.948 1.00 0.00 C ATOM 56 CD PRO A 5 16.865 -12.586 4.702 1.00 0.00 C ATOM 0 HA PRO A 5 15.128 -9.989 3.833 1.00 0.00 H new ATOM 0 HB2 PRO A 5 13.967 -12.313 3.082 1.00 0.00 H new ATOM 0 HB3 PRO A 5 15.475 -11.822 2.339 1.00 0.00 H new ATOM 0 HG2 PRO A 5 15.061 -13.814 4.621 1.00 0.00 H new ATOM 0 HG3 PRO A 5 16.090 -13.982 3.212 1.00 0.00 H new ATOM 0 HD2 PRO A 5 17.092 -13.121 5.624 1.00 0.00 H new ATOM 0 HD3 PRO A 5 17.776 -12.583 4.103 1.00 0.00 H new ATOM 64 N THR A 6 13.717 -9.760 5.901 1.00 0.00 N ATOM 65 CA THR A 6 12.647 -9.528 6.850 1.00 0.00 C ATOM 66 C THR A 6 12.192 -8.087 6.663 1.00 0.00 C ATOM 67 O THR A 6 12.957 -7.144 6.884 1.00 0.00 O ATOM 68 CB THR A 6 13.077 -9.879 8.287 1.00 0.00 C ATOM 69 OG1 THR A 6 12.087 -9.541 9.252 1.00 0.00 O ATOM 70 CG2 THR A 6 14.367 -9.219 8.772 1.00 0.00 C ATOM 0 H THR A 6 14.258 -8.918 5.703 1.00 0.00 H new ATOM 0 HA THR A 6 11.798 -10.187 6.667 1.00 0.00 H new ATOM 0 HB THR A 6 13.234 -10.955 8.212 1.00 0.00 H new ATOM 0 HG1 THR A 6 12.405 -9.784 10.146 1.00 0.00 H new ATOM 0 HG21 THR A 6 14.575 -9.535 9.794 1.00 0.00 H new ATOM 0 HG22 THR A 6 15.193 -9.515 8.125 1.00 0.00 H new ATOM 0 HG23 THR A 6 14.254 -8.135 8.743 1.00 0.00 H new ATOM 78 N TYR A 7 10.965 -7.934 6.185 1.00 0.00 N ATOM 79 CA TYR A 7 10.271 -6.685 5.937 1.00 0.00 C ATOM 80 C TYR A 7 8.769 -6.996 5.942 1.00 0.00 C ATOM 81 O TYR A 7 8.388 -8.149 5.720 1.00 0.00 O ATOM 82 CB TYR A 7 10.712 -6.091 4.595 1.00 0.00 C ATOM 83 CG TYR A 7 12.005 -5.298 4.632 1.00 0.00 C ATOM 84 CD1 TYR A 7 12.152 -4.205 5.511 1.00 0.00 C ATOM 85 CD2 TYR A 7 13.037 -5.605 3.728 1.00 0.00 C ATOM 86 CE1 TYR A 7 13.330 -3.438 5.493 1.00 0.00 C ATOM 87 CE2 TYR A 7 14.207 -4.831 3.687 1.00 0.00 C ATOM 88 CZ TYR A 7 14.363 -3.750 4.579 1.00 0.00 C ATOM 89 OH TYR A 7 15.487 -2.987 4.513 1.00 0.00 O ATOM 0 H TYR A 7 10.389 -8.741 5.944 1.00 0.00 H new ATOM 0 HA TYR A 7 10.504 -5.946 6.704 1.00 0.00 H new ATOM 0 HB2 TYR A 7 10.823 -6.903 3.876 1.00 0.00 H new ATOM 0 HB3 TYR A 7 9.918 -5.443 4.224 1.00 0.00 H new ATOM 0 HD1 TYR A 7 11.358 -3.957 6.199 1.00 0.00 H new ATOM 0 HD2 TYR A 7 12.928 -6.445 3.058 1.00 0.00 H new ATOM 0 HE1 TYR A 7 13.446 -2.610 6.177 1.00 0.00 H new ATOM 0 HE2 TYR A 7 14.985 -5.062 2.975 1.00 0.00 H new ATOM 0 HH TYR A 7 15.671 -2.598 5.394 1.00 0.00 H new ATOM 99 N PRO A 8 7.900 -5.991 6.131 1.00 0.00 N ATOM 100 CA PRO A 8 6.461 -6.210 6.161 1.00 0.00 C ATOM 101 C PRO A 8 5.827 -6.349 4.776 1.00 0.00 C ATOM 102 O PRO A 8 4.764 -6.963 4.667 1.00 0.00 O ATOM 103 CB PRO A 8 5.903 -4.946 6.821 1.00 0.00 C ATOM 104 CG PRO A 8 6.869 -3.871 6.326 1.00 0.00 C ATOM 105 CD PRO A 8 8.209 -4.593 6.405 1.00 0.00 C ATOM 0 HA PRO A 8 6.240 -7.142 6.682 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.877 -4.745 6.513 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.900 -5.022 7.908 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.637 -3.550 5.311 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.847 -2.981 6.955 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.916 -4.195 5.677 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.664 -4.475 7.388 1.00 0.00 H new ATOM 113 N GLY A 9 6.491 -5.892 3.706 1.00 0.00 N ATOM 114 CA GLY A 9 5.926 -5.933 2.365 1.00 0.00 C ATOM 115 C GLY A 9 4.736 -4.982 2.430 1.00 0.00 C ATOM 116 O GLY A 9 4.901 -3.833 2.851 1.00 0.00 O ATOM 0 H GLY A 9 7.427 -5.488 3.752 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.651 -5.612 1.617 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.615 -6.942 2.095 1.00 0.00 H new TER 120 GLY A 9 ATOM 121 N PRO C 11 -6.990 -7.801 7.748 1.00 0.00 N ATOM 122 CA PRO C 11 -8.294 -7.153 7.711 1.00 0.00 C ATOM 123 C PRO C 11 -8.196 -5.782 7.039 1.00 0.00 C ATOM 124 O PRO C 11 -7.217 -5.055 7.226 1.00 0.00 O ATOM 125 CB PRO C 11 -8.723 -7.033 9.173 1.00 0.00 C ATOM 126 CG PRO C 11 -7.393 -6.964 9.930 1.00 0.00 C ATOM 127 CD PRO C 11 -6.491 -7.884 9.113 1.00 0.00 C ATOM 0 HA PRO C 11 -9.021 -7.720 7.130 1.00 0.00 H new ATOM 0 HB2 PRO C 11 -9.328 -6.142 9.342 1.00 0.00 H new ATOM 0 HB3 PRO C 11 -9.320 -7.889 9.488 1.00 0.00 H new ATOM 0 HG2 PRO C 11 -7.003 -5.947 9.971 1.00 0.00 H new ATOM 0 HG3 PRO C 11 -7.495 -7.308 10.959 1.00 0.00 H new ATOM 0 HD2 PRO C 11 -5.450 -7.566 9.171 1.00 0.00 H new ATOM 0 HD3 PRO C 11 -6.533 -8.908 9.485 1.00 0.00 H new ATOM 135 N VAL C 12 -9.274 -5.377 6.365 1.00 0.00 N ATOM 136 CA VAL C 12 -9.356 -4.098 5.665 1.00 0.00 C ATOM 137 C VAL C 12 -9.084 -2.922 6.613 1.00 0.00 C ATOM 138 O VAL C 12 -8.496 -1.939 6.173 1.00 0.00 O ATOM 139 CB VAL C 12 -10.718 -4.016 4.940 1.00 0.00 C ATOM 140 CG1 VAL C 12 -11.924 -3.926 5.884 1.00 0.00 C ATOM 141 CG2 VAL C 12 -10.795 -2.846 3.958 1.00 0.00 C ATOM 0 H VAL C 12 -10.124 -5.936 6.290 1.00 0.00 H new ATOM 0 HA VAL C 12 -8.575 -4.030 4.908 1.00 0.00 H new ATOM 0 HB VAL C 12 -10.773 -4.960 4.398 1.00 0.00 H new ATOM 0 HG11 VAL C 12 -12.841 -3.872 5.298 1.00 0.00 H new ATOM 0 HG12 VAL C 12 -11.953 -4.809 6.523 1.00 0.00 H new ATOM 0 HG13 VAL C 12 -11.836 -3.033 6.503 1.00 0.00 H new ATOM 0 HG21 VAL C 12 -11.774 -2.838 3.478 1.00 0.00 H new ATOM 0 HG22 VAL C 12 -10.647 -1.909 4.496 1.00 0.00 H new ATOM 0 HG23 VAL C 12 -10.020 -2.956 3.200 1.00 0.00 H new ATOM 151 N GLU C 13 -9.448 -3.042 7.897 1.00 0.00 N ATOM 152 CA GLU C 13 -9.274 -2.036 8.924 1.00 0.00 C ATOM 153 C GLU C 13 -7.805 -1.707 9.129 1.00 0.00 C ATOM 154 O GLU C 13 -7.437 -0.531 9.142 1.00 0.00 O ATOM 155 CB GLU C 13 -9.878 -2.567 10.225 1.00 0.00 C ATOM 156 CG GLU C 13 -11.393 -2.765 10.153 1.00 0.00 C ATOM 157 CD GLU C 13 -11.945 -3.174 11.518 1.00 0.00 C ATOM 158 OE1 GLU C 13 -11.548 -4.249 12.033 1.00 0.00 O ATOM 159 OE2 GLU C 13 -12.676 -2.362 12.123 1.00 0.00 O ATOM 0 H GLU C 13 -9.892 -3.888 8.253 1.00 0.00 H new ATOM 0 HA GLU C 13 -9.776 -1.119 8.617 1.00 0.00 H new ATOM 0 HB2 GLU C 13 -9.406 -3.517 10.475 1.00 0.00 H new ATOM 0 HB3 GLU C 13 -9.647 -1.874 11.034 1.00 0.00 H new ATOM 0 HG2 GLU C 13 -11.871 -1.843 9.822 1.00 0.00 H new ATOM 0 HG3 GLU C 13 -11.631 -3.530 9.414 1.00 0.00 H new ATOM 166 N ASP C 14 -6.978 -2.724 9.376 1.00 0.00 N ATOM 167 CA ASP C 14 -5.555 -2.491 9.570 1.00 0.00 C ATOM 168 C ASP C 14 -4.952 -2.046 8.248 1.00 0.00 C ATOM 169 O ASP C 14 -4.188 -1.087 8.210 1.00 0.00 O ATOM 170 CB ASP C 14 -4.838 -3.739 10.088 1.00 0.00 C ATOM 171 CG ASP C 14 -3.372 -3.430 10.400 1.00 0.00 C ATOM 172 OD1 ASP C 14 -3.126 -2.367 11.012 1.00 0.00 O ATOM 173 OD2 ASP C 14 -2.559 -4.380 10.382 1.00 0.00 O ATOM 0 H ASP C 14 -7.267 -3.700 9.445 1.00 0.00 H new ATOM 0 HA ASP C 14 -5.427 -1.715 10.325 1.00 0.00 H new ATOM 0 HB2 ASP C 14 -5.337 -4.105 10.986 1.00 0.00 H new ATOM 0 HB3 ASP C 14 -4.897 -4.534 9.344 1.00 0.00 H new ATOM 178 N LEU C 15 -5.429 -2.609 7.131 1.00 0.00 N ATOM 179 CA LEU C 15 -4.950 -2.267 5.797 1.00 0.00 C ATOM 180 C LEU C 15 -5.403 -0.867 5.332 1.00 0.00 C ATOM 181 O LEU C 15 -5.440 -0.602 4.134 1.00 0.00 O ATOM 182 CB LEU C 15 -5.242 -3.410 4.813 1.00 0.00 C ATOM 183 CG LEU C 15 -4.220 -3.454 3.653 1.00 0.00 C ATOM 184 CD1 LEU C 15 -2.934 -4.162 4.081 1.00 0.00 C ATOM 185 CD2 LEU C 15 -4.822 -4.173 2.446 1.00 0.00 C ATOM 0 H LEU C 15 -6.162 -3.318 7.133 1.00 0.00 H new ATOM 0 HA LEU C 15 -3.865 -2.172 5.833 1.00 0.00 H new ATOM 0 HB2 LEU C 15 -5.225 -4.360 5.347 1.00 0.00 H new ATOM 0 HB3 LEU C 15 -6.246 -3.290 4.407 1.00 0.00 H new ATOM 0 HG LEU C 15 -3.978 -2.427 3.380 1.00 0.00 H new ATOM 0 HD11 LEU C 15 -2.233 -4.179 3.247 1.00 0.00 H new ATOM 0 HD12 LEU C 15 -2.487 -3.629 4.920 1.00 0.00 H new ATOM 0 HD13 LEU C 15 -3.164 -5.184 4.382 1.00 0.00 H new ATOM 0 HD21 LEU C 15 -4.093 -4.197 1.636 1.00 0.00 H new ATOM 0 HD22 LEU C 15 -5.088 -5.192 2.725 1.00 0.00 H new ATOM 0 HD23 LEU C 15 -5.715 -3.643 2.115 1.00 0.00 H new ATOM 197 N ILE C 16 -5.873 -0.013 6.243 1.00 0.00 N ATOM 198 CA ILE C 16 -6.280 1.375 6.019 1.00 0.00 C ATOM 199 C ILE C 16 -5.236 2.203 6.782 1.00 0.00 C ATOM 200 O ILE C 16 -4.655 3.134 6.222 1.00 0.00 O ATOM 201 CB ILE C 16 -7.728 1.684 6.492 1.00 0.00 C ATOM 202 CG1 ILE C 16 -8.782 1.177 5.488 1.00 0.00 C ATOM 203 CG2 ILE C 16 -7.925 3.204 6.676 1.00 0.00 C ATOM 204 CD1 ILE C 16 -10.158 0.924 6.119 1.00 0.00 C ATOM 0 H ILE C 16 -5.987 -0.290 7.218 1.00 0.00 H new ATOM 0 HA ILE C 16 -6.309 1.609 4.955 1.00 0.00 H new ATOM 0 HB ILE C 16 -7.864 1.166 7.441 1.00 0.00 H new ATOM 0 HG12 ILE C 16 -8.888 1.907 4.685 1.00 0.00 H new ATOM 0 HG13 ILE C 16 -8.424 0.253 5.034 1.00 0.00 H new ATOM 0 HG21 ILE C 16 -8.945 3.401 7.007 1.00 0.00 H new ATOM 0 HG22 ILE C 16 -7.223 3.574 7.423 1.00 0.00 H new ATOM 0 HG23 ILE C 16 -7.747 3.711 5.728 1.00 0.00 H new ATOM 0 HD11 ILE C 16 -10.849 0.569 5.354 1.00 0.00 H new ATOM 0 HD12 ILE C 16 -10.066 0.172 6.902 1.00 0.00 H new ATOM 0 HD13 ILE C 16 -10.537 1.851 6.549 1.00 0.00 H new ATOM 216 N ARG C 17 -5.037 1.900 8.070 1.00 0.00 N ATOM 217 CA ARG C 17 -4.095 2.584 8.951 1.00 0.00 C ATOM 218 C ARG C 17 -2.653 2.197 8.633 1.00 0.00 C ATOM 219 O ARG C 17 -1.895 3.046 8.164 1.00 0.00 O ATOM 220 CB ARG C 17 -4.463 2.280 10.418 1.00 0.00 C ATOM 221 CG ARG C 17 -4.758 3.550 11.225 1.00 0.00 C ATOM 222 CD ARG C 17 -6.064 4.199 10.751 1.00 0.00 C ATOM 223 NE ARG C 17 -6.496 5.259 11.668 1.00 0.00 N ATOM 224 CZ ARG C 17 -7.747 5.686 11.850 1.00 0.00 C ATOM 225 NH1 ARG C 17 -8.767 5.200 11.148 1.00 0.00 N ATOM 226 NH2 ARG C 17 -7.954 6.625 12.763 1.00 0.00 N ATOM 0 H ARG C 17 -5.544 1.149 8.538 1.00 0.00 H new ATOM 0 HA ARG C 17 -4.166 3.659 8.788 1.00 0.00 H new ATOM 0 HB2 ARG C 17 -5.335 1.627 10.442 1.00 0.00 H new ATOM 0 HB3 ARG C 17 -3.644 1.736 10.889 1.00 0.00 H new ATOM 0 HG2 ARG C 17 -4.831 3.305 12.285 1.00 0.00 H new ATOM 0 HG3 ARG C 17 -3.934 4.256 11.117 1.00 0.00 H new ATOM 0 HD2 ARG C 17 -5.925 4.613 9.752 1.00 0.00 H new ATOM 0 HD3 ARG C 17 -6.843 3.440 10.676 1.00 0.00 H new ATOM 0 HE ARG C 17 -5.769 5.714 12.220 1.00 0.00 H new ATOM 0 HH11 ARG C 17 -8.605 4.479 10.445 1.00 0.00 H new ATOM 0 HH12 ARG C 17 -9.711 5.549 11.312 1.00 0.00 H new ATOM 0 HH21 ARG C 17 -7.170 6.997 13.299 1.00 0.00 H new ATOM 0 HH22 ARG C 17 -8.897 6.976 12.929 1.00 0.00 H new ATOM 240 N PHE C 18 -2.302 0.919 8.807 1.00 0.00 N ATOM 241 CA PHE C 18 -0.966 0.400 8.550 1.00 0.00 C ATOM 242 C PHE C 18 -0.530 0.760 7.132 1.00 0.00 C ATOM 243 O PHE C 18 0.554 1.304 6.978 1.00 0.00 O ATOM 244 CB PHE C 18 -0.899 -1.114 8.854 1.00 0.00 C ATOM 245 CG PHE C 18 -0.052 -1.955 7.916 1.00 0.00 C ATOM 246 CD1 PHE C 18 -0.598 -2.399 6.697 1.00 0.00 C ATOM 247 CD2 PHE C 18 1.270 -2.297 8.250 1.00 0.00 C ATOM 248 CE1 PHE C 18 0.186 -3.136 5.794 1.00 0.00 C ATOM 249 CE2 PHE C 18 2.048 -3.057 7.359 1.00 0.00 C ATOM 250 CZ PHE C 18 1.509 -3.462 6.126 1.00 0.00 C ATOM 0 H PHE C 18 -2.955 0.208 9.137 1.00 0.00 H new ATOM 0 HA PHE C 18 -0.251 0.870 9.225 1.00 0.00 H new ATOM 0 HB2 PHE C 18 -0.517 -1.242 9.867 1.00 0.00 H new ATOM 0 HB3 PHE C 18 -1.915 -1.510 8.844 1.00 0.00 H new ATOM 0 HD1 PHE C 18 -1.626 -2.172 6.455 1.00 0.00 H new ATOM 0 HD2 PHE C 18 1.689 -1.976 9.192 1.00 0.00 H new ATOM 0 HE1 PHE C 18 -0.229 -3.450 4.848 1.00 0.00 H new ATOM 0 HE2 PHE C 18 3.059 -3.329 7.622 1.00 0.00 H new ATOM 0 HZ PHE C 18 2.115 -4.026 5.432 1.00 0.00 H new ATOM 260 N TYR C 19 -1.405 0.599 6.132 1.00 0.00 N ATOM 261 CA TYR C 19 -1.108 0.900 4.729 1.00 0.00 C ATOM 262 C TYR C 19 -0.595 2.331 4.529 1.00 0.00 C ATOM 263 O TYR C 19 0.278 2.576 3.692 1.00 0.00 O ATOM 264 CB TYR C 19 -2.382 0.693 3.893 1.00 0.00 C ATOM 265 CG TYR C 19 -2.287 1.277 2.494 1.00 0.00 C ATOM 266 CD1 TYR C 19 -1.715 0.527 1.454 1.00 0.00 C ATOM 267 CD2 TYR C 19 -2.701 2.603 2.251 1.00 0.00 C ATOM 268 CE1 TYR C 19 -1.544 1.101 0.183 1.00 0.00 C ATOM 269 CE2 TYR C 19 -2.560 3.175 0.975 1.00 0.00 C ATOM 270 CZ TYR C 19 -1.964 2.429 -0.065 1.00 0.00 C ATOM 271 OH TYR C 19 -1.780 3.001 -1.289 1.00 0.00 O ATOM 0 H TYR C 19 -2.353 0.251 6.278 1.00 0.00 H new ATOM 0 HA TYR C 19 -0.315 0.225 4.407 1.00 0.00 H new ATOM 0 HB2 TYR C 19 -2.590 -0.374 3.820 1.00 0.00 H new ATOM 0 HB3 TYR C 19 -3.226 1.147 4.412 1.00 0.00 H new ATOM 0 HD1 TYR C 19 -1.406 -0.493 1.631 1.00 0.00 H new ATOM 0 HD2 TYR C 19 -3.131 3.185 3.053 1.00 0.00 H new ATOM 0 HE1 TYR C 19 -1.089 0.525 -0.609 1.00 0.00 H new ATOM 0 HE2 TYR C 19 -2.906 4.181 0.791 1.00 0.00 H new ATOM 0 HH TYR C 19 -2.130 3.916 -1.278 1.00 0.00 H new ATOM 281 N ASN C 20 -1.226 3.281 5.217 1.00 0.00 N ATOM 282 CA ASN C 20 -0.890 4.689 5.144 1.00 0.00 C ATOM 283 C ASN C 20 0.462 4.946 5.792 1.00 0.00 C ATOM 284 O ASN C 20 1.338 5.539 5.168 1.00 0.00 O ATOM 285 CB ASN C 20 -2.008 5.483 5.829 1.00 0.00 C ATOM 286 CG ASN C 20 -1.891 6.990 5.687 1.00 0.00 C ATOM 287 OD1 ASN C 20 -0.842 7.568 5.429 1.00 0.00 O ATOM 288 ND2 ASN C 20 -2.973 7.690 5.975 1.00 0.00 N ATOM 0 H ASN C 20 -2.000 3.082 5.851 1.00 0.00 H new ATOM 0 HA ASN C 20 -0.809 5.009 4.105 1.00 0.00 H new ATOM 0 HB2 ASN C 20 -2.966 5.166 5.417 1.00 0.00 H new ATOM 0 HB3 ASN C 20 -2.018 5.231 6.889 1.00 0.00 H new ATOM 0 HD21 ASN C 20 -2.934 8.709 5.982 1.00 0.00 H new ATOM 0 HD22 ASN C 20 -3.848 7.211 6.190 1.00 0.00 H new ATOM 295 N ASP C 21 0.648 4.468 7.024 1.00 0.00 N ATOM 296 CA ASP C 21 1.895 4.650 7.772 1.00 0.00 C ATOM 297 C ASP C 21 3.075 3.904 7.130 1.00 0.00 C ATOM 298 O ASP C 21 4.236 4.287 7.299 1.00 0.00 O ATOM 299 CB ASP C 21 1.682 4.210 9.225 1.00 0.00 C ATOM 300 CG ASP C 21 2.257 5.238 10.192 1.00 0.00 C ATOM 301 OD1 ASP C 21 1.506 6.172 10.560 1.00 0.00 O ATOM 302 OD2 ASP C 21 3.263 4.935 10.869 1.00 0.00 O ATOM 0 H ASP C 21 -0.063 3.943 7.533 1.00 0.00 H new ATOM 0 HA ASP C 21 2.157 5.708 7.749 1.00 0.00 H new ATOM 0 HB2 ASP C 21 0.617 4.079 9.418 1.00 0.00 H new ATOM 0 HB3 ASP C 21 2.157 3.243 9.390 1.00 0.00 H new ATOM 307 N LEU C 22 2.775 2.869 6.338 1.00 0.00 N ATOM 308 CA LEU C 22 3.708 2.024 5.603 1.00 0.00 C ATOM 309 C LEU C 22 4.335 2.807 4.446 1.00 0.00 C ATOM 310 O LEU C 22 5.356 2.373 3.920 1.00 0.00 O ATOM 311 CB LEU C 22 2.933 0.800 5.075 1.00 0.00 C ATOM 312 CG LEU C 22 3.718 -0.246 4.266 1.00 0.00 C ATOM 313 CD1 LEU C 22 4.588 -1.100 5.195 1.00 0.00 C ATOM 314 CD2 LEU C 22 2.730 -1.121 3.492 1.00 0.00 C ATOM 0 H LEU C 22 1.807 2.585 6.187 1.00 0.00 H new ATOM 0 HA LEU C 22 4.516 1.696 6.257 1.00 0.00 H new ATOM 0 HB2 LEU C 22 2.482 0.295 5.929 1.00 0.00 H new ATOM 0 HB3 LEU C 22 2.116 1.163 4.451 1.00 0.00 H new ATOM 0 HG LEU C 22 4.380 0.259 3.562 1.00 0.00 H new ATOM 0 HD11 LEU C 22 5.137 -1.835 4.606 1.00 0.00 H new ATOM 0 HD12 LEU C 22 5.293 -0.459 5.724 1.00 0.00 H new ATOM 0 HD13 LEU C 22 3.953 -1.614 5.917 1.00 0.00 H new ATOM 0 HD21 LEU C 22 3.278 -1.866 2.915 1.00 0.00 H new ATOM 0 HD22 LEU C 22 2.063 -1.623 4.192 1.00 0.00 H new ATOM 0 HD23 LEU C 22 2.144 -0.498 2.816 1.00 0.00 H new ATOM 326 N GLN C 23 3.808 3.979 4.070 1.00 0.00 N ATOM 327 CA GLN C 23 4.384 4.755 2.978 1.00 0.00 C ATOM 328 C GLN C 23 5.859 5.081 3.246 1.00 0.00 C ATOM 329 O GLN C 23 6.675 5.064 2.321 1.00 0.00 O ATOM 330 CB GLN C 23 3.530 5.991 2.677 1.00 0.00 C ATOM 331 CG GLN C 23 3.510 7.124 3.721 1.00 0.00 C ATOM 332 CD GLN C 23 4.615 8.148 3.511 1.00 0.00 C ATOM 333 OE1 GLN C 23 5.482 8.322 4.364 1.00 0.00 O ATOM 334 NE2 GLN C 23 4.669 8.785 2.350 1.00 0.00 N ATOM 0 H GLN C 23 2.989 4.404 4.506 1.00 0.00 H new ATOM 0 HA GLN C 23 4.373 4.148 2.072 1.00 0.00 H new ATOM 0 HB2 GLN C 23 3.873 6.413 1.732 1.00 0.00 H new ATOM 0 HB3 GLN C 23 2.503 5.659 2.524 1.00 0.00 H new ATOM 0 HG2 GLN C 23 2.544 7.628 3.683 1.00 0.00 H new ATOM 0 HG3 GLN C 23 3.606 6.693 4.718 1.00 0.00 H new ATOM 0 HE21 GLN C 23 3.943 8.632 1.650 1.00 0.00 H new ATOM 0 HE22 GLN C 23 5.437 9.428 2.156 1.00 0.00 H new ATOM 343 N GLN C 24 6.207 5.259 4.520 1.00 0.00 N ATOM 344 CA GLN C 24 7.551 5.547 4.978 1.00 0.00 C ATOM 345 C GLN C 24 8.481 4.357 4.698 1.00 0.00 C ATOM 346 O GLN C 24 9.633 4.590 4.343 1.00 0.00 O ATOM 347 CB GLN C 24 7.474 5.919 6.463 1.00 0.00 C ATOM 348 CG GLN C 24 8.833 6.039 7.166 1.00 0.00 C ATOM 349 CD GLN C 24 8.724 6.767 8.506 1.00 0.00 C ATOM 350 OE1 GLN C 24 9.500 7.680 8.783 1.00 0.00 O ATOM 351 NE2 GLN C 24 7.798 6.392 9.375 1.00 0.00 N ATOM 0 H GLN C 24 5.532 5.203 5.282 1.00 0.00 H new ATOM 0 HA GLN C 24 7.980 6.389 4.436 1.00 0.00 H new ATOM 0 HB2 GLN C 24 6.946 6.868 6.559 1.00 0.00 H new ATOM 0 HB3 GLN C 24 6.877 5.168 6.981 1.00 0.00 H new ATOM 0 HG2 GLN C 24 9.247 5.043 7.327 1.00 0.00 H new ATOM 0 HG3 GLN C 24 9.530 6.573 6.519 1.00 0.00 H new ATOM 0 HE21 GLN C 24 7.156 5.634 9.141 1.00 0.00 H new ATOM 0 HE22 GLN C 24 7.726 6.861 10.278 1.00 0.00 H new ATOM 360 N TYR C 25 8.017 3.103 4.835 1.00 0.00 N ATOM 361 CA TYR C 25 8.828 1.907 4.578 1.00 0.00 C ATOM 362 C TYR C 25 9.376 1.986 3.155 1.00 0.00 C ATOM 363 O TYR C 25 10.592 1.969 2.963 1.00 0.00 O ATOM 364 CB TYR C 25 8.017 0.612 4.810 1.00 0.00 C ATOM 365 CG TYR C 25 8.582 -0.658 4.185 1.00 0.00 C ATOM 366 CD1 TYR C 25 9.941 -0.995 4.334 1.00 0.00 C ATOM 367 CD2 TYR C 25 7.752 -1.482 3.396 1.00 0.00 C ATOM 368 CE1 TYR C 25 10.472 -2.105 3.655 1.00 0.00 C ATOM 369 CE2 TYR C 25 8.269 -2.619 2.752 1.00 0.00 C ATOM 370 CZ TYR C 25 9.643 -2.918 2.853 1.00 0.00 C ATOM 371 OH TYR C 25 10.185 -3.956 2.159 1.00 0.00 O ATOM 0 H TYR C 25 7.063 2.893 5.129 1.00 0.00 H new ATOM 0 HA TYR C 25 9.660 1.874 5.281 1.00 0.00 H new ATOM 0 HB2 TYR C 25 7.925 0.453 5.884 1.00 0.00 H new ATOM 0 HB3 TYR C 25 7.009 0.765 4.423 1.00 0.00 H new ATOM 0 HD1 TYR C 25 10.577 -0.399 4.972 1.00 0.00 H new ATOM 0 HD2 TYR C 25 6.706 -1.236 3.286 1.00 0.00 H new ATOM 0 HE1 TYR C 25 11.523 -2.338 3.748 1.00 0.00 H new ATOM 0 HE2 TYR C 25 7.615 -3.262 2.181 1.00 0.00 H new ATOM 0 HH TYR C 25 10.930 -4.337 2.669 1.00 0.00 H new ATOM 381 N LEU C 26 8.486 2.175 2.176 1.00 0.00 N ATOM 382 CA LEU C 26 8.841 2.288 0.761 1.00 0.00 C ATOM 383 C LEU C 26 9.814 3.446 0.531 1.00 0.00 C ATOM 384 O LEU C 26 10.648 3.380 -0.377 1.00 0.00 O ATOM 385 CB LEU C 26 7.564 2.490 -0.067 1.00 0.00 C ATOM 386 CG LEU C 26 6.886 1.169 -0.464 1.00 0.00 C ATOM 387 CD1 LEU C 26 5.436 1.437 -0.864 1.00 0.00 C ATOM 388 CD2 LEU C 26 7.632 0.512 -1.630 1.00 0.00 C ATOM 0 H LEU C 26 7.484 2.255 2.349 1.00 0.00 H new ATOM 0 HA LEU C 26 9.337 1.370 0.447 1.00 0.00 H new ATOM 0 HB2 LEU C 26 6.860 3.095 0.504 1.00 0.00 H new ATOM 0 HB3 LEU C 26 7.808 3.051 -0.969 1.00 0.00 H new ATOM 0 HG LEU C 26 6.910 0.492 0.390 1.00 0.00 H new ATOM 0 HD11 LEU C 26 4.957 0.499 -1.145 1.00 0.00 H new ATOM 0 HD12 LEU C 26 4.902 1.879 -0.023 1.00 0.00 H new ATOM 0 HD13 LEU C 26 5.413 2.124 -1.710 1.00 0.00 H new ATOM 0 HD21 LEU C 26 7.138 -0.422 -1.898 1.00 0.00 H new ATOM 0 HD22 LEU C 26 7.629 1.183 -2.489 1.00 0.00 H new ATOM 0 HD23 LEU C 26 8.661 0.307 -1.334 1.00 0.00 H new ATOM 400 N ASN C 27 9.713 4.515 1.328 1.00 0.00 N ATOM 401 CA ASN C 27 10.605 5.662 1.215 1.00 0.00 C ATOM 402 C ASN C 27 12.028 5.199 1.533 1.00 0.00 C ATOM 403 O ASN C 27 12.959 5.507 0.791 1.00 0.00 O ATOM 404 CB ASN C 27 10.160 6.815 2.133 1.00 0.00 C ATOM 405 CG ASN C 27 10.698 8.135 1.604 1.00 0.00 C ATOM 406 OD1 ASN C 27 11.904 8.311 1.485 1.00 0.00 O ATOM 407 ND2 ASN C 27 9.835 9.061 1.218 1.00 0.00 N ATOM 0 H ASN C 27 9.013 4.605 2.064 1.00 0.00 H new ATOM 0 HA ASN C 27 10.571 6.055 0.199 1.00 0.00 H new ATOM 0 HB2 ASN C 27 9.072 6.851 2.185 1.00 0.00 H new ATOM 0 HB3 ASN C 27 10.522 6.645 3.147 1.00 0.00 H new ATOM 0 HD21 ASN C 27 10.172 9.936 0.815 1.00 0.00 H new ATOM 0 HD22 ASN C 27 8.833 8.900 1.323 1.00 0.00 H new ATOM 414 N VAL C 28 12.196 4.399 2.593 1.00 0.00 N ATOM 415 CA VAL C 28 13.495 3.869 2.989 1.00 0.00 C ATOM 416 C VAL C 28 14.007 2.918 1.898 1.00 0.00 C ATOM 417 O VAL C 28 15.157 3.071 1.482 1.00 0.00 O ATOM 418 CB VAL C 28 13.438 3.173 4.371 1.00 0.00 C ATOM 419 CG1 VAL C 28 14.849 2.853 4.890 1.00 0.00 C ATOM 420 CG2 VAL C 28 12.721 4.009 5.442 1.00 0.00 C ATOM 0 H VAL C 28 11.430 4.104 3.198 1.00 0.00 H new ATOM 0 HA VAL C 28 14.194 4.699 3.095 1.00 0.00 H new ATOM 0 HB VAL C 28 12.869 2.258 4.205 1.00 0.00 H new ATOM 0 HG11 VAL C 28 14.777 2.365 5.862 1.00 0.00 H new ATOM 0 HG12 VAL C 28 15.353 2.190 4.187 1.00 0.00 H new ATOM 0 HG13 VAL C 28 15.418 3.777 4.989 1.00 0.00 H new ATOM 0 HG21 VAL C 28 12.716 3.464 6.386 1.00 0.00 H new ATOM 0 HG22 VAL C 28 13.243 4.957 5.573 1.00 0.00 H new ATOM 0 HG23 VAL C 28 11.695 4.200 5.128 1.00 0.00 H new ATOM 430 N VAL C 29 13.180 2.005 1.369 1.00 0.00 N ATOM 431 CA VAL C 29 13.607 1.058 0.333 1.00 0.00 C ATOM 432 C VAL C 29 14.113 1.810 -0.900 1.00 0.00 C ATOM 433 O VAL C 29 15.269 1.640 -1.299 1.00 0.00 O ATOM 434 CB VAL C 29 12.496 0.058 -0.053 1.00 0.00 C ATOM 435 CG1 VAL C 29 13.067 -1.030 -0.976 1.00 0.00 C ATOM 436 CG2 VAL C 29 11.854 -0.669 1.130 1.00 0.00 C ATOM 0 H VAL C 29 12.204 1.904 1.646 1.00 0.00 H new ATOM 0 HA VAL C 29 14.424 0.471 0.753 1.00 0.00 H new ATOM 0 HB VAL C 29 11.731 0.668 -0.534 1.00 0.00 H new ATOM 0 HG11 VAL C 29 12.277 -1.732 -1.244 1.00 0.00 H new ATOM 0 HG12 VAL C 29 13.464 -0.569 -1.880 1.00 0.00 H new ATOM 0 HG13 VAL C 29 13.866 -1.563 -0.460 1.00 0.00 H new ATOM 0 HG21 VAL C 29 11.086 -1.350 0.765 1.00 0.00 H new ATOM 0 HG22 VAL C 29 12.616 -1.235 1.666 1.00 0.00 H new ATOM 0 HG23 VAL C 29 11.403 0.060 1.803 1.00 0.00 H new ATOM 446 N THR C 30 13.305 2.700 -1.473 1.00 0.00 N ATOM 447 CA THR C 30 13.687 3.470 -2.654 1.00 0.00 C ATOM 448 C THR C 30 14.699 4.569 -2.356 1.00 0.00 C ATOM 449 O THR C 30 15.155 5.246 -3.274 1.00 0.00 O ATOM 450 CB THR C 30 12.434 4.114 -3.279 1.00 0.00 C ATOM 451 OG1 THR C 30 11.782 4.958 -2.343 1.00 0.00 O ATOM 452 CG2 THR C 30 11.427 3.083 -3.778 1.00 0.00 C ATOM 0 H THR C 30 12.367 2.907 -1.131 1.00 0.00 H new ATOM 0 HA THR C 30 14.158 2.767 -3.341 1.00 0.00 H new ATOM 0 HB THR C 30 12.789 4.691 -4.133 1.00 0.00 H new ATOM 0 HG1 THR C 30 11.293 4.410 -1.694 1.00 0.00 H new ATOM 0 HG21 THR C 30 10.566 3.594 -4.208 1.00 0.00 H new ATOM 0 HG22 THR C 30 11.894 2.457 -4.538 1.00 0.00 H new ATOM 0 HG23 THR C 30 11.101 2.460 -2.945 1.00 0.00 H new ATOM 460 N ARG C 31 15.098 4.744 -1.095 1.00 0.00 N ATOM 461 CA ARG C 31 16.005 5.808 -0.664 1.00 0.00 C ATOM 462 C ARG C 31 15.416 7.132 -1.197 1.00 0.00 C ATOM 463 O ARG C 31 16.138 7.982 -1.719 1.00 0.00 O ATOM 464 CB ARG C 31 17.465 5.506 -1.065 1.00 0.00 C ATOM 465 CG ARG C 31 18.481 6.366 -0.285 1.00 0.00 C ATOM 466 CD ARG C 31 19.878 6.388 -0.928 1.00 0.00 C ATOM 467 NE ARG C 31 20.682 5.197 -0.613 1.00 0.00 N ATOM 468 CZ ARG C 31 21.915 4.948 -1.075 1.00 0.00 C ATOM 469 NH1 ARG C 31 22.431 5.653 -2.079 1.00 0.00 N ATOM 470 NH2 ARG C 31 22.627 3.956 -0.558 1.00 0.00 N ATOM 0 H ARG C 31 14.794 4.139 -0.332 1.00 0.00 H new ATOM 0 HA ARG C 31 16.072 5.887 0.421 1.00 0.00 H new ATOM 0 HB2 ARG C 31 17.676 4.451 -0.889 1.00 0.00 H new ATOM 0 HB3 ARG C 31 17.589 5.682 -2.133 1.00 0.00 H new ATOM 0 HG2 ARG C 31 18.105 7.387 -0.215 1.00 0.00 H new ATOM 0 HG3 ARG C 31 18.563 5.986 0.733 1.00 0.00 H new ATOM 0 HD2 ARG C 31 19.771 6.470 -2.010 1.00 0.00 H new ATOM 0 HD3 ARG C 31 20.411 7.277 -0.592 1.00 0.00 H new ATOM 0 HE ARG C 31 20.266 4.503 0.009 1.00 0.00 H new ATOM 0 HH11 ARG C 31 21.886 6.399 -2.512 1.00 0.00 H new ATOM 0 HH12 ARG C 31 23.372 5.448 -2.416 1.00 0.00 H new ATOM 0 HH21 ARG C 31 22.236 3.384 0.190 1.00 0.00 H new ATOM 0 HH22 ARG C 31 23.566 3.765 -0.909 1.00 0.00 H new ATOM 484 N HIS C 32 14.082 7.250 -1.173 1.00 0.00 N ATOM 485 CA HIS C 32 13.258 8.365 -1.623 1.00 0.00 C ATOM 486 C HIS C 32 13.315 8.623 -3.142 1.00 0.00 C ATOM 487 O HIS C 32 12.890 9.691 -3.591 1.00 0.00 O ATOM 488 CB HIS C 32 13.619 9.613 -0.807 1.00 0.00 C ATOM 489 CG HIS C 32 12.480 10.574 -0.594 1.00 0.00 C ATOM 490 ND1 HIS C 32 11.421 10.831 -1.435 1.00 0.00 N ATOM 491 CD2 HIS C 32 12.303 11.318 0.533 1.00 0.00 C ATOM 492 CE1 HIS C 32 10.609 11.698 -0.811 1.00 0.00 C ATOM 493 NE2 HIS C 32 11.099 12.017 0.403 1.00 0.00 N ATOM 0 H HIS C 32 13.505 6.495 -0.803 1.00 0.00 H new ATOM 0 HA HIS C 32 12.217 8.097 -1.443 1.00 0.00 H new ATOM 0 HB2 HIS C 32 13.998 9.298 0.165 1.00 0.00 H new ATOM 0 HB3 HIS C 32 14.431 10.138 -1.311 1.00 0.00 H new ATOM 0 HD1 HIS C 32 11.279 10.434 -2.364 1.00 0.00 H new ATOM 0 HD2 HIS C 32 12.974 11.361 1.378 1.00 0.00 H new ATOM 0 HE1 HIS C 32 9.690 12.086 -1.224 1.00 0.00 H new ATOM 501 N ARG C 33 13.802 7.679 -3.952 1.00 0.00 N ATOM 502 CA ARG C 33 13.936 7.808 -5.405 1.00 0.00 C ATOM 503 C ARG C 33 12.839 7.031 -6.139 1.00 0.00 C ATOM 504 O ARG C 33 13.107 6.014 -6.777 1.00 0.00 O ATOM 505 CB ARG C 33 15.350 7.348 -5.803 1.00 0.00 C ATOM 506 CG ARG C 33 16.438 8.318 -5.309 1.00 0.00 C ATOM 507 CD ARG C 33 17.818 7.674 -5.136 1.00 0.00 C ATOM 508 NE ARG C 33 18.845 8.708 -4.903 1.00 0.00 N ATOM 509 CZ ARG C 33 19.161 9.276 -3.734 1.00 0.00 C ATOM 510 NH1 ARG C 33 18.588 8.889 -2.608 1.00 0.00 N ATOM 511 NH2 ARG C 33 20.061 10.245 -3.659 1.00 0.00 N ATOM 0 H ARG C 33 14.124 6.776 -3.603 1.00 0.00 H new ATOM 0 HA ARG C 33 13.807 8.849 -5.701 1.00 0.00 H new ATOM 0 HB2 ARG C 33 15.536 6.356 -5.392 1.00 0.00 H new ATOM 0 HB3 ARG C 33 15.410 7.260 -6.888 1.00 0.00 H new ATOM 0 HG2 ARG C 33 16.520 9.145 -6.015 1.00 0.00 H new ATOM 0 HG3 ARG C 33 16.125 8.743 -4.355 1.00 0.00 H new ATOM 0 HD2 ARG C 33 17.798 6.977 -4.298 1.00 0.00 H new ATOM 0 HD3 ARG C 33 18.070 7.096 -6.025 1.00 0.00 H new ATOM 0 HE ARG C 33 19.369 9.023 -5.720 1.00 0.00 H new ATOM 0 HH11 ARG C 33 17.891 8.144 -2.620 1.00 0.00 H new ATOM 0 HH12 ARG C 33 18.843 9.335 -1.727 1.00 0.00 H new ATOM 0 HH21 ARG C 33 20.529 10.573 -4.504 1.00 0.00 H new ATOM 0 HH22 ARG C 33 20.286 10.663 -2.756 1.00 0.00 H new ATOM 525 N TYR C 34 11.586 7.459 -5.995 1.00 0.00 N ATOM 526 CA TYR C 34 10.458 6.814 -6.656 1.00 0.00 C ATOM 527 C TYR C 34 10.524 7.188 -8.137 1.00 0.00 C ATOM 528 O TYR C 34 10.371 8.354 -8.490 1.00 0.00 O ATOM 529 CB TYR C 34 9.126 7.284 -6.059 1.00 0.00 C ATOM 530 CG TYR C 34 9.013 7.216 -4.550 1.00 0.00 C ATOM 531 CD1 TYR C 34 8.767 5.987 -3.909 1.00 0.00 C ATOM 532 CD2 TYR C 34 9.091 8.400 -3.791 1.00 0.00 C ATOM 533 CE1 TYR C 34 8.554 5.949 -2.522 1.00 0.00 C ATOM 534 CE2 TYR C 34 8.900 8.366 -2.401 1.00 0.00 C ATOM 535 CZ TYR C 34 8.602 7.139 -1.767 1.00 0.00 C ATOM 536 OH TYR C 34 8.316 7.105 -0.443 1.00 0.00 O ATOM 0 H TYR C 34 11.327 8.260 -5.419 1.00 0.00 H new ATOM 0 HA TYR C 34 10.514 5.734 -6.519 1.00 0.00 H new ATOM 0 HB2 TYR C 34 8.955 8.315 -6.370 1.00 0.00 H new ATOM 0 HB3 TYR C 34 8.325 6.684 -6.491 1.00 0.00 H new ATOM 0 HD1 TYR C 34 8.742 5.073 -4.484 1.00 0.00 H new ATOM 0 HD2 TYR C 34 9.299 9.339 -4.282 1.00 0.00 H new ATOM 0 HE1 TYR C 34 8.353 5.007 -2.033 1.00 0.00 H new ATOM 0 HE2 TYR C 34 8.980 9.272 -1.819 1.00 0.00 H new ATOM 0 HH TYR C 34 8.099 6.187 -0.179 1.00 0.00 H new HETATM 546 N NH2 C 35 10.785 6.260 -9.042 1.00 0.00 N TER 549 NH2 C 35 ATOM 550 N GLY B 1 -22.185 -2.375 -4.897 1.00 0.00 N ATOM 551 CA GLY B 1 -20.875 -2.606 -5.503 1.00 0.00 C ATOM 552 C GLY B 1 -20.717 -4.033 -5.997 1.00 0.00 C ATOM 553 O GLY B 1 -21.415 -4.409 -6.936 1.00 0.00 O ATOM 0 H1 GLY B 1 -22.249 -1.388 -4.574 1.00 0.00 H new ATOM 0 H2 GLY B 1 -22.930 -2.558 -5.599 1.00 0.00 H new ATOM 0 H3 GLY B 1 -22.310 -3.014 -4.086 1.00 0.00 H new ATOM 0 HA2 GLY B 1 -20.735 -1.917 -6.336 1.00 0.00 H new ATOM 0 HA3 GLY B 1 -20.095 -2.387 -4.774 1.00 0.00 H new ATOM 557 N PRO B 2 -19.807 -4.829 -5.403 1.00 0.00 N ATOM 558 CA PRO B 2 -19.556 -6.207 -5.814 1.00 0.00 C ATOM 559 C PRO B 2 -20.747 -7.134 -5.560 1.00 0.00 C ATOM 560 O PRO B 2 -21.735 -6.754 -4.925 1.00 0.00 O ATOM 561 CB PRO B 2 -18.308 -6.644 -5.036 1.00 0.00 C ATOM 562 CG PRO B 2 -18.407 -5.816 -3.760 1.00 0.00 C ATOM 563 CD PRO B 2 -18.945 -4.483 -4.281 1.00 0.00 C ATOM 0 HA PRO B 2 -19.402 -6.267 -6.891 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -18.314 -7.714 -4.827 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -17.392 -6.432 -5.587 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -19.079 -6.270 -3.031 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -17.439 -5.702 -3.273 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -19.500 -3.953 -3.507 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -18.133 -3.827 -4.596 1.00 0.00 H new ATOM 571 N SER B 3 -20.617 -8.384 -5.997 1.00 0.00 N ATOM 572 CA SER B 3 -21.618 -9.436 -5.860 1.00 0.00 C ATOM 573 C SER B 3 -20.985 -10.749 -5.369 1.00 0.00 C ATOM 574 O SER B 3 -21.689 -11.648 -4.903 1.00 0.00 O ATOM 575 CB SER B 3 -22.263 -9.600 -7.234 1.00 0.00 C ATOM 576 OG SER B 3 -23.533 -10.210 -7.155 1.00 0.00 O ATOM 0 H SER B 3 -19.775 -8.704 -6.476 1.00 0.00 H new ATOM 0 HA SER B 3 -22.366 -9.170 -5.113 1.00 0.00 H new ATOM 0 HB2 SER B 3 -22.359 -8.623 -7.708 1.00 0.00 H new ATOM 0 HB3 SER B 3 -21.612 -10.200 -7.870 1.00 0.00 H new ATOM 0 HG SER B 3 -23.912 -10.295 -8.055 1.00 0.00 H new ATOM 582 N GLN B 4 -19.663 -10.877 -5.492 1.00 0.00 N ATOM 583 CA GLN B 4 -18.861 -12.021 -5.080 1.00 0.00 C ATOM 584 C GLN B 4 -17.698 -11.498 -4.217 1.00 0.00 C ATOM 585 O GLN B 4 -17.334 -10.317 -4.329 1.00 0.00 O ATOM 586 CB GLN B 4 -18.356 -12.792 -6.315 1.00 0.00 C ATOM 587 CG GLN B 4 -19.443 -13.570 -7.078 1.00 0.00 C ATOM 588 CD GLN B 4 -20.314 -12.703 -7.984 1.00 0.00 C ATOM 589 OE1 GLN B 4 -19.824 -11.841 -8.713 1.00 0.00 O ATOM 590 NE2 GLN B 4 -21.622 -12.890 -7.950 1.00 0.00 N ATOM 0 H GLN B 4 -19.094 -10.139 -5.907 1.00 0.00 H new ATOM 0 HA GLN B 4 -19.457 -12.720 -4.494 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -17.886 -12.086 -7.000 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -17.583 -13.492 -5.998 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -18.965 -14.341 -7.682 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -20.083 -14.080 -6.357 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -22.019 -13.607 -7.343 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -22.234 -12.317 -8.531 1.00 0.00 H new ATOM 599 N PRO B 5 -17.072 -12.351 -3.386 1.00 0.00 N ATOM 600 CA PRO B 5 -15.975 -11.953 -2.521 1.00 0.00 C ATOM 601 C PRO B 5 -14.646 -11.905 -3.276 1.00 0.00 C ATOM 602 O PRO B 5 -13.817 -12.812 -3.194 1.00 0.00 O ATOM 603 CB PRO B 5 -15.990 -12.971 -1.393 1.00 0.00 C ATOM 604 CG PRO B 5 -16.397 -14.255 -2.106 1.00 0.00 C ATOM 605 CD PRO B 5 -17.395 -13.755 -3.150 1.00 0.00 C ATOM 0 HA PRO B 5 -16.090 -10.940 -2.136 1.00 0.00 H new ATOM 0 HB2 PRO B 5 -15.013 -13.064 -0.918 1.00 0.00 H new ATOM 0 HB3 PRO B 5 -16.700 -12.699 -0.612 1.00 0.00 H new ATOM 0 HG2 PRO B 5 -15.543 -14.751 -2.567 1.00 0.00 H new ATOM 0 HG3 PRO B 5 -16.851 -14.972 -1.422 1.00 0.00 H new ATOM 0 HD2 PRO B 5 -17.316 -14.332 -4.071 1.00 0.00 H new ATOM 0 HD3 PRO B 5 -18.419 -13.864 -2.792 1.00 0.00 H new ATOM 613 N THR B 6 -14.455 -10.865 -4.073 1.00 0.00 N ATOM 614 CA THR B 6 -13.235 -10.679 -4.832 1.00 0.00 C ATOM 615 C THR B 6 -12.987 -9.182 -5.021 1.00 0.00 C ATOM 616 O THR B 6 -13.913 -8.408 -5.295 1.00 0.00 O ATOM 617 CB THR B 6 -13.305 -11.502 -6.134 1.00 0.00 C ATOM 618 OG1 THR B 6 -12.023 -11.595 -6.729 1.00 0.00 O ATOM 619 CG2 THR B 6 -14.306 -10.955 -7.157 1.00 0.00 C ATOM 0 H THR B 6 -15.145 -10.126 -4.210 1.00 0.00 H new ATOM 0 HA THR B 6 -12.364 -11.060 -4.299 1.00 0.00 H new ATOM 0 HB THR B 6 -13.661 -12.490 -5.843 1.00 0.00 H new ATOM 0 HG1 THR B 6 -12.082 -12.121 -7.553 1.00 0.00 H new ATOM 0 HG21 THR B 6 -14.299 -11.586 -8.046 1.00 0.00 H new ATOM 0 HG22 THR B 6 -15.305 -10.952 -6.722 1.00 0.00 H new ATOM 0 HG23 THR B 6 -14.026 -9.938 -7.432 1.00 0.00 H new ATOM 627 N TYR B 7 -11.743 -8.779 -4.778 1.00 0.00 N ATOM 628 CA TYR B 7 -11.198 -7.437 -4.888 1.00 0.00 C ATOM 629 C TYR B 7 -9.699 -7.616 -5.172 1.00 0.00 C ATOM 630 O TYR B 7 -9.116 -8.593 -4.690 1.00 0.00 O ATOM 631 CB TYR B 7 -11.376 -6.651 -3.580 1.00 0.00 C ATOM 632 CG TYR B 7 -12.709 -5.955 -3.370 1.00 0.00 C ATOM 633 CD1 TYR B 7 -13.137 -4.944 -4.256 1.00 0.00 C ATOM 634 CD2 TYR B 7 -13.458 -6.217 -2.208 1.00 0.00 C ATOM 635 CE1 TYR B 7 -14.282 -4.179 -3.965 1.00 0.00 C ATOM 636 CE2 TYR B 7 -14.617 -5.477 -1.922 1.00 0.00 C ATOM 637 CZ TYR B 7 -15.013 -4.428 -2.781 1.00 0.00 C ATOM 638 OH TYR B 7 -16.085 -3.662 -2.439 1.00 0.00 O ATOM 0 H TYR B 7 -11.032 -9.444 -4.473 1.00 0.00 H new ATOM 0 HA TYR B 7 -11.710 -6.879 -5.672 1.00 0.00 H new ATOM 0 HB2 TYR B 7 -11.217 -7.337 -2.748 1.00 0.00 H new ATOM 0 HB3 TYR B 7 -10.589 -5.899 -3.527 1.00 0.00 H new ATOM 0 HD1 TYR B 7 -12.582 -4.756 -5.163 1.00 0.00 H new ATOM 0 HD2 TYR B 7 -13.139 -6.994 -1.530 1.00 0.00 H new ATOM 0 HE1 TYR B 7 -14.602 -3.403 -4.645 1.00 0.00 H new ATOM 0 HE2 TYR B 7 -15.205 -5.710 -1.046 1.00 0.00 H new ATOM 0 HH TYR B 7 -16.461 -3.984 -1.593 1.00 0.00 H new ATOM 648 N PRO B 8 -9.031 -6.633 -5.800 1.00 0.00 N ATOM 649 CA PRO B 8 -7.609 -6.718 -6.131 1.00 0.00 C ATOM 650 C PRO B 8 -6.660 -6.656 -4.930 1.00 0.00 C ATOM 651 O PRO B 8 -5.523 -7.128 -5.041 1.00 0.00 O ATOM 652 CB PRO B 8 -7.357 -5.580 -7.120 1.00 0.00 C ATOM 653 CG PRO B 8 -8.443 -4.563 -6.784 1.00 0.00 C ATOM 654 CD PRO B 8 -9.621 -5.442 -6.392 1.00 0.00 C ATOM 0 HA PRO B 8 -7.390 -7.699 -6.554 1.00 0.00 H new ATOM 0 HB2 PRO B 8 -6.360 -5.157 -6.998 1.00 0.00 H new ATOM 0 HB3 PRO B 8 -7.434 -5.922 -8.152 1.00 0.00 H new ATOM 0 HG2 PRO B 8 -8.142 -3.904 -5.970 1.00 0.00 H new ATOM 0 HG3 PRO B 8 -8.679 -3.927 -7.637 1.00 0.00 H new ATOM 0 HD2 PRO B 8 -10.273 -4.932 -5.683 1.00 0.00 H new ATOM 0 HD3 PRO B 8 -10.229 -5.695 -7.260 1.00 0.00 H new ATOM 662 N GLY B 9 -7.107 -6.143 -3.779 1.00 0.00 N ATOM 663 CA GLY B 9 -6.290 -6.057 -2.574 1.00 0.00 C ATOM 664 C GLY B 9 -4.961 -5.346 -2.801 1.00 0.00 C ATOM 665 O GLY B 9 -4.881 -4.381 -3.568 1.00 0.00 O ATOM 0 H GLY B 9 -8.051 -5.775 -3.661 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -6.849 -5.531 -1.800 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -6.098 -7.063 -2.200 1.00 0.00 H new TER 669 GLY B 9 ATOM 670 N PRO D 11 6.894 -8.174 -7.203 1.00 0.00 N ATOM 671 CA PRO D 11 8.212 -7.637 -6.888 1.00 0.00 C ATOM 672 C PRO D 11 8.104 -6.229 -6.295 1.00 0.00 C ATOM 673 O PRO D 11 7.181 -5.476 -6.626 1.00 0.00 O ATOM 674 CB PRO D 11 8.961 -7.628 -8.224 1.00 0.00 C ATOM 675 CG PRO D 11 7.842 -7.386 -9.237 1.00 0.00 C ATOM 676 CD PRO D 11 6.661 -8.152 -8.640 1.00 0.00 C ATOM 0 HA PRO D 11 8.732 -8.233 -6.138 1.00 0.00 H new ATOM 0 HB2 PRO D 11 9.716 -6.842 -8.259 1.00 0.00 H new ATOM 0 HB3 PRO D 11 9.475 -8.572 -8.406 1.00 0.00 H new ATOM 0 HG2 PRO D 11 7.620 -6.324 -9.346 1.00 0.00 H new ATOM 0 HG3 PRO D 11 8.106 -7.760 -10.226 1.00 0.00 H new ATOM 0 HD2 PRO D 11 5.716 -7.662 -8.876 1.00 0.00 H new ATOM 0 HD3 PRO D 11 6.605 -9.163 -9.044 1.00 0.00 H new ATOM 684 N VAL D 12 9.161 -5.789 -5.603 1.00 0.00 N ATOM 685 CA VAL D 12 9.192 -4.469 -4.976 1.00 0.00 C ATOM 686 C VAL D 12 9.104 -3.327 -6.006 1.00 0.00 C ATOM 687 O VAL D 12 8.624 -2.241 -5.696 1.00 0.00 O ATOM 688 CB VAL D 12 10.401 -4.378 -4.021 1.00 0.00 C ATOM 689 CG1 VAL D 12 11.768 -4.316 -4.717 1.00 0.00 C ATOM 690 CG2 VAL D 12 10.263 -3.170 -3.099 1.00 0.00 C ATOM 0 H VAL D 12 10.011 -6.335 -5.464 1.00 0.00 H new ATOM 0 HA VAL D 12 8.297 -4.339 -4.368 1.00 0.00 H new ATOM 0 HB VAL D 12 10.381 -5.310 -3.457 1.00 0.00 H new ATOM 0 HG11 VAL D 12 12.556 -4.254 -3.966 1.00 0.00 H new ATOM 0 HG12 VAL D 12 11.911 -5.213 -5.319 1.00 0.00 H new ATOM 0 HG13 VAL D 12 11.809 -3.437 -5.360 1.00 0.00 H new ATOM 0 HG21 VAL D 12 11.124 -3.121 -2.432 1.00 0.00 H new ATOM 0 HG22 VAL D 12 10.215 -2.260 -3.697 1.00 0.00 H new ATOM 0 HG23 VAL D 12 9.352 -3.265 -2.509 1.00 0.00 H new ATOM 700 N GLU D 13 9.516 -3.575 -7.250 1.00 0.00 N ATOM 701 CA GLU D 13 9.486 -2.618 -8.355 1.00 0.00 C ATOM 702 C GLU D 13 8.044 -2.263 -8.736 1.00 0.00 C ATOM 703 O GLU D 13 7.804 -1.184 -9.292 1.00 0.00 O ATOM 704 CB GLU D 13 10.288 -3.264 -9.497 1.00 0.00 C ATOM 705 CG GLU D 13 10.306 -2.525 -10.845 1.00 0.00 C ATOM 706 CD GLU D 13 11.404 -3.029 -11.794 1.00 0.00 C ATOM 707 OE1 GLU D 13 12.378 -3.653 -11.315 1.00 0.00 O ATOM 708 OE2 GLU D 13 11.523 -2.480 -12.912 1.00 0.00 O ATOM 0 H GLU D 13 9.894 -4.482 -7.525 1.00 0.00 H new ATOM 0 HA GLU D 13 9.938 -1.663 -8.088 1.00 0.00 H new ATOM 0 HB2 GLU D 13 11.319 -3.382 -9.162 1.00 0.00 H new ATOM 0 HB3 GLU D 13 9.891 -4.265 -9.665 1.00 0.00 H new ATOM 0 HG2 GLU D 13 9.336 -2.639 -11.328 1.00 0.00 H new ATOM 0 HG3 GLU D 13 10.449 -1.459 -10.666 1.00 0.00 H new ATOM 715 N ASP D 14 7.090 -3.153 -8.442 1.00 0.00 N ATOM 716 CA ASP D 14 5.673 -2.946 -8.715 1.00 0.00 C ATOM 717 C ASP D 14 5.039 -2.252 -7.512 1.00 0.00 C ATOM 718 O ASP D 14 4.226 -1.350 -7.693 1.00 0.00 O ATOM 719 CB ASP D 14 4.968 -4.267 -9.003 1.00 0.00 C ATOM 720 CG ASP D 14 3.606 -4.012 -9.642 1.00 0.00 C ATOM 721 OD1 ASP D 14 3.607 -3.823 -10.879 1.00 0.00 O ATOM 722 OD2 ASP D 14 2.596 -4.494 -9.090 1.00 0.00 O ATOM 0 H ASP D 14 7.289 -4.051 -8.000 1.00 0.00 H new ATOM 0 HA ASP D 14 5.567 -2.321 -9.602 1.00 0.00 H new ATOM 0 HB2 ASP D 14 5.581 -4.877 -9.667 1.00 0.00 H new ATOM 0 HB3 ASP D 14 4.844 -4.830 -8.078 1.00 0.00 H new ATOM 727 N LEU D 15 5.517 -2.548 -6.292 1.00 0.00 N ATOM 728 CA LEU D 15 5.061 -1.967 -5.019 1.00 0.00 C ATOM 729 C LEU D 15 5.392 -0.469 -4.919 1.00 0.00 C ATOM 730 O LEU D 15 5.192 0.134 -3.871 1.00 0.00 O ATOM 731 CB LEU D 15 5.644 -2.721 -3.800 1.00 0.00 C ATOM 732 CG LEU D 15 4.782 -3.896 -3.313 1.00 0.00 C ATOM 733 CD1 LEU D 15 4.885 -5.101 -4.244 1.00 0.00 C ATOM 734 CD2 LEU D 15 5.213 -4.313 -1.905 1.00 0.00 C ATOM 0 H LEU D 15 6.265 -3.229 -6.161 1.00 0.00 H new ATOM 0 HA LEU D 15 3.977 -2.078 -5.004 1.00 0.00 H new ATOM 0 HB2 LEU D 15 6.635 -3.095 -4.058 1.00 0.00 H new ATOM 0 HB3 LEU D 15 5.774 -2.016 -2.979 1.00 0.00 H new ATOM 0 HG LEU D 15 3.746 -3.558 -3.305 1.00 0.00 H new ATOM 0 HD11 LEU D 15 4.261 -5.909 -3.863 1.00 0.00 H new ATOM 0 HD12 LEU D 15 4.547 -4.820 -5.241 1.00 0.00 H new ATOM 0 HD13 LEU D 15 5.921 -5.435 -4.293 1.00 0.00 H new ATOM 0 HD21 LEU D 15 4.597 -5.146 -1.568 1.00 0.00 H new ATOM 0 HD22 LEU D 15 6.259 -4.618 -1.920 1.00 0.00 H new ATOM 0 HD23 LEU D 15 5.090 -3.472 -1.223 1.00 0.00 H new ATOM 746 N ILE D 16 5.922 0.140 -5.974 1.00 0.00 N ATOM 747 CA ILE D 16 6.267 1.546 -6.046 1.00 0.00 C ATOM 748 C ILE D 16 5.257 2.229 -6.969 1.00 0.00 C ATOM 749 O ILE D 16 4.701 3.271 -6.614 1.00 0.00 O ATOM 750 CB ILE D 16 7.715 1.683 -6.552 1.00 0.00 C ATOM 751 CG1 ILE D 16 8.728 1.134 -5.528 1.00 0.00 C ATOM 752 CG2 ILE D 16 8.030 3.151 -6.860 1.00 0.00 C ATOM 753 CD1 ILE D 16 10.086 0.852 -6.180 1.00 0.00 C ATOM 0 H ILE D 16 6.130 -0.360 -6.838 1.00 0.00 H new ATOM 0 HA ILE D 16 6.221 2.027 -5.069 1.00 0.00 H new ATOM 0 HB ILE D 16 7.804 1.093 -7.464 1.00 0.00 H new ATOM 0 HG12 ILE D 16 8.854 1.852 -4.718 1.00 0.00 H new ATOM 0 HG13 ILE D 16 8.339 0.218 -5.084 1.00 0.00 H new ATOM 0 HG21 ILE D 16 9.056 3.236 -7.217 1.00 0.00 H new ATOM 0 HG22 ILE D 16 7.348 3.516 -7.627 1.00 0.00 H new ATOM 0 HG23 ILE D 16 7.910 3.746 -5.955 1.00 0.00 H new ATOM 0 HD11 ILE D 16 10.777 0.466 -5.430 1.00 0.00 H new ATOM 0 HD12 ILE D 16 9.963 0.115 -6.973 1.00 0.00 H new ATOM 0 HD13 ILE D 16 10.486 1.774 -6.601 1.00 0.00 H new ATOM 765 N ARG D 17 5.059 1.680 -8.172 1.00 0.00 N ATOM 766 CA ARG D 17 4.149 2.223 -9.171 1.00 0.00 C ATOM 767 C ARG D 17 2.705 1.898 -8.825 1.00 0.00 C ATOM 768 O ARG D 17 1.937 2.811 -8.531 1.00 0.00 O ATOM 769 CB ARG D 17 4.556 1.713 -10.569 1.00 0.00 C ATOM 770 CG ARG D 17 4.388 2.809 -11.621 1.00 0.00 C ATOM 771 CD ARG D 17 5.553 3.808 -11.558 1.00 0.00 C ATOM 772 NE ARG D 17 5.120 5.166 -11.900 1.00 0.00 N ATOM 773 CZ ARG D 17 5.872 6.137 -12.420 1.00 0.00 C ATOM 774 NH1 ARG D 17 7.106 5.927 -12.852 1.00 0.00 N ATOM 775 NH2 ARG D 17 5.375 7.355 -12.539 1.00 0.00 N ATOM 0 H ARG D 17 5.537 0.832 -8.478 1.00 0.00 H new ATOM 0 HA ARG D 17 4.222 3.311 -9.180 1.00 0.00 H new ATOM 0 HB2 ARG D 17 5.593 1.378 -10.550 1.00 0.00 H new ATOM 0 HB3 ARG D 17 3.947 0.850 -10.837 1.00 0.00 H new ATOM 0 HG2 ARG D 17 4.340 2.362 -12.614 1.00 0.00 H new ATOM 0 HG3 ARG D 17 3.445 3.332 -11.461 1.00 0.00 H new ATOM 0 HD2 ARG D 17 5.982 3.804 -10.556 1.00 0.00 H new ATOM 0 HD3 ARG D 17 6.340 3.493 -12.243 1.00 0.00 H new ATOM 0 HE ARG D 17 4.141 5.392 -11.722 1.00 0.00 H new ATOM 0 HH11 ARG D 17 7.515 4.994 -12.794 1.00 0.00 H new ATOM 0 HH12 ARG D 17 7.647 6.698 -13.243 1.00 0.00 H new ATOM 0 HH21 ARG D 17 4.421 7.549 -12.234 1.00 0.00 H new ATOM 0 HH22 ARG D 17 5.945 8.102 -12.936 1.00 0.00 H new ATOM 789 N PHE D 18 2.358 0.609 -8.790 1.00 0.00 N ATOM 790 CA PHE D 18 1.014 0.147 -8.469 1.00 0.00 C ATOM 791 C PHE D 18 0.587 0.710 -7.115 1.00 0.00 C ATOM 792 O PHE D 18 -0.513 1.233 -7.019 1.00 0.00 O ATOM 793 CB PHE D 18 0.942 -1.390 -8.562 1.00 0.00 C ATOM 794 CG PHE D 18 0.029 -2.085 -7.569 1.00 0.00 C ATOM 795 CD1 PHE D 18 -1.344 -2.222 -7.840 1.00 0.00 C ATOM 796 CD2 PHE D 18 0.563 -2.627 -6.384 1.00 0.00 C ATOM 797 CE1 PHE D 18 -2.172 -2.929 -6.950 1.00 0.00 C ATOM 798 CE2 PHE D 18 -0.270 -3.316 -5.486 1.00 0.00 C ATOM 799 CZ PHE D 18 -1.635 -3.481 -5.776 1.00 0.00 C ATOM 0 H PHE D 18 3.013 -0.148 -8.987 1.00 0.00 H new ATOM 0 HA PHE D 18 0.296 0.522 -9.199 1.00 0.00 H new ATOM 0 HB2 PHE D 18 0.618 -1.656 -9.568 1.00 0.00 H new ATOM 0 HB3 PHE D 18 1.949 -1.787 -8.436 1.00 0.00 H new ATOM 0 HD1 PHE D 18 -1.763 -1.783 -8.733 1.00 0.00 H new ATOM 0 HD2 PHE D 18 1.614 -2.513 -6.165 1.00 0.00 H new ATOM 0 HE1 PHE D 18 -3.223 -3.048 -7.170 1.00 0.00 H new ATOM 0 HE2 PHE D 18 0.140 -3.719 -4.572 1.00 0.00 H new ATOM 0 HZ PHE D 18 -2.270 -4.031 -5.097 1.00 0.00 H new ATOM 809 N TYR D 19 1.484 0.769 -6.124 1.00 0.00 N ATOM 810 CA TYR D 19 1.184 1.298 -4.790 1.00 0.00 C ATOM 811 C TYR D 19 0.707 2.763 -4.811 1.00 0.00 C ATOM 812 O TYR D 19 -0.021 3.185 -3.907 1.00 0.00 O ATOM 813 CB TYR D 19 2.429 1.144 -3.913 1.00 0.00 C ATOM 814 CG TYR D 19 2.319 1.698 -2.503 1.00 0.00 C ATOM 815 CD1 TYR D 19 1.816 0.899 -1.456 1.00 0.00 C ATOM 816 CD2 TYR D 19 2.738 3.018 -2.242 1.00 0.00 C ATOM 817 CE1 TYR D 19 1.665 1.441 -0.164 1.00 0.00 C ATOM 818 CE2 TYR D 19 2.586 3.563 -0.954 1.00 0.00 C ATOM 819 CZ TYR D 19 2.026 2.785 0.087 1.00 0.00 C ATOM 820 OH TYR D 19 1.885 3.332 1.327 1.00 0.00 O ATOM 0 H TYR D 19 2.447 0.448 -6.227 1.00 0.00 H new ATOM 0 HA TYR D 19 0.353 0.724 -4.379 1.00 0.00 H new ATOM 0 HB2 TYR D 19 2.675 0.084 -3.848 1.00 0.00 H new ATOM 0 HB3 TYR D 19 3.264 1.636 -4.412 1.00 0.00 H new ATOM 0 HD1 TYR D 19 1.546 -0.130 -1.644 1.00 0.00 H new ATOM 0 HD2 TYR D 19 3.176 3.611 -3.031 1.00 0.00 H new ATOM 0 HE1 TYR D 19 1.273 0.829 0.635 1.00 0.00 H new ATOM 0 HE2 TYR D 19 2.898 4.578 -0.759 1.00 0.00 H new ATOM 0 HH TYR D 19 1.269 2.785 1.858 1.00 0.00 H new ATOM 830 N ASN D 20 1.135 3.554 -5.799 1.00 0.00 N ATOM 831 CA ASN D 20 0.749 4.956 -5.927 1.00 0.00 C ATOM 832 C ASN D 20 -0.688 5.062 -6.421 1.00 0.00 C ATOM 833 O ASN D 20 -1.470 5.843 -5.883 1.00 0.00 O ATOM 834 CB ASN D 20 1.701 5.681 -6.892 1.00 0.00 C ATOM 835 CG ASN D 20 1.863 7.154 -6.534 1.00 0.00 C ATOM 836 OD1 ASN D 20 0.908 7.882 -6.269 1.00 0.00 O ATOM 837 ND2 ASN D 20 3.098 7.628 -6.498 1.00 0.00 N ATOM 0 H ASN D 20 1.763 3.234 -6.536 1.00 0.00 H new ATOM 0 HA ASN D 20 0.817 5.431 -4.948 1.00 0.00 H new ATOM 0 HB2 ASN D 20 2.676 5.194 -6.874 1.00 0.00 H new ATOM 0 HB3 ASN D 20 1.321 5.595 -7.910 1.00 0.00 H new ATOM 0 HD21 ASN D 20 3.263 8.603 -6.249 1.00 0.00 H new ATOM 0 HD22 ASN D 20 3.885 7.018 -6.719 1.00 0.00 H new ATOM 844 N ASP D 21 -1.057 4.268 -7.429 1.00 0.00 N ATOM 845 CA ASP D 21 -2.421 4.290 -7.970 1.00 0.00 C ATOM 846 C ASP D 21 -3.370 3.451 -7.101 1.00 0.00 C ATOM 847 O ASP D 21 -4.569 3.725 -7.048 1.00 0.00 O ATOM 848 CB ASP D 21 -2.445 3.878 -9.445 1.00 0.00 C ATOM 849 CG ASP D 21 -1.868 4.945 -10.391 1.00 0.00 C ATOM 850 OD1 ASP D 21 -1.924 6.164 -10.086 1.00 0.00 O ATOM 851 OD2 ASP D 21 -1.430 4.558 -11.497 1.00 0.00 O ATOM 0 H ASP D 21 -0.434 3.603 -7.887 1.00 0.00 H new ATOM 0 HA ASP D 21 -2.787 5.316 -7.935 1.00 0.00 H new ATOM 0 HB2 ASP D 21 -1.880 2.954 -9.565 1.00 0.00 H new ATOM 0 HB3 ASP D 21 -3.473 3.663 -9.737 1.00 0.00 H new ATOM 856 N LEU D 22 -2.833 2.532 -6.290 1.00 0.00 N ATOM 857 CA LEU D 22 -3.538 1.648 -5.354 1.00 0.00 C ATOM 858 C LEU D 22 -4.279 2.478 -4.302 1.00 0.00 C ATOM 859 O LEU D 22 -5.274 2.021 -3.738 1.00 0.00 O ATOM 860 CB LEU D 22 -2.499 0.725 -4.691 1.00 0.00 C ATOM 861 CG LEU D 22 -2.946 -0.088 -3.465 1.00 0.00 C ATOM 862 CD1 LEU D 22 -4.038 -1.096 -3.819 1.00 0.00 C ATOM 863 CD2 LEU D 22 -1.727 -0.841 -2.918 1.00 0.00 C ATOM 0 H LEU D 22 -1.825 2.376 -6.269 1.00 0.00 H new ATOM 0 HA LEU D 22 -4.278 1.047 -5.883 1.00 0.00 H new ATOM 0 HB2 LEU D 22 -2.142 0.025 -5.446 1.00 0.00 H new ATOM 0 HB3 LEU D 22 -1.647 1.337 -4.395 1.00 0.00 H new ATOM 0 HG LEU D 22 -3.355 0.598 -2.723 1.00 0.00 H new ATOM 0 HD11 LEU D 22 -4.326 -1.650 -2.925 1.00 0.00 H new ATOM 0 HD12 LEU D 22 -4.906 -0.568 -4.214 1.00 0.00 H new ATOM 0 HD13 LEU D 22 -3.662 -1.790 -4.571 1.00 0.00 H new ATOM 0 HD21 LEU D 22 -2.021 -1.425 -2.046 1.00 0.00 H new ATOM 0 HD22 LEU D 22 -1.336 -1.508 -3.687 1.00 0.00 H new ATOM 0 HD23 LEU D 22 -0.956 -0.126 -2.632 1.00 0.00 H new ATOM 875 N GLN D 23 -3.813 3.709 -4.062 1.00 0.00 N ATOM 876 CA GLN D 23 -4.402 4.638 -3.115 1.00 0.00 C ATOM 877 C GLN D 23 -5.890 4.850 -3.444 1.00 0.00 C ATOM 878 O GLN D 23 -6.714 4.958 -2.530 1.00 0.00 O ATOM 879 CB GLN D 23 -3.551 5.929 -3.090 1.00 0.00 C ATOM 880 CG GLN D 23 -3.806 6.997 -4.170 1.00 0.00 C ATOM 881 CD GLN D 23 -4.783 8.081 -3.715 1.00 0.00 C ATOM 882 OE1 GLN D 23 -5.996 7.953 -3.853 1.00 0.00 O ATOM 883 NE2 GLN D 23 -4.306 9.118 -3.045 1.00 0.00 N ATOM 0 H GLN D 23 -2.994 4.088 -4.538 1.00 0.00 H new ATOM 0 HA GLN D 23 -4.389 4.241 -2.100 1.00 0.00 H new ATOM 0 HB2 GLN D 23 -3.692 6.400 -2.117 1.00 0.00 H new ATOM 0 HB3 GLN D 23 -2.503 5.637 -3.154 1.00 0.00 H new ATOM 0 HG2 GLN D 23 -2.859 7.461 -4.446 1.00 0.00 H new ATOM 0 HG3 GLN D 23 -4.198 6.515 -5.066 1.00 0.00 H new ATOM 0 HE21 GLN D 23 -3.299 9.230 -2.927 1.00 0.00 H new ATOM 0 HE22 GLN D 23 -4.945 9.806 -2.647 1.00 0.00 H new ATOM 892 N GLN D 24 -6.234 4.792 -4.737 1.00 0.00 N ATOM 893 CA GLN D 24 -7.582 4.964 -5.245 1.00 0.00 C ATOM 894 C GLN D 24 -8.495 3.829 -4.771 1.00 0.00 C ATOM 895 O GLN D 24 -9.569 4.122 -4.262 1.00 0.00 O ATOM 896 CB GLN D 24 -7.548 5.045 -6.779 1.00 0.00 C ATOM 897 CG GLN D 24 -8.844 5.637 -7.347 1.00 0.00 C ATOM 898 CD GLN D 24 -9.108 5.247 -8.799 1.00 0.00 C ATOM 899 OE1 GLN D 24 -8.231 4.782 -9.530 1.00 0.00 O ATOM 900 NE2 GLN D 24 -10.324 5.472 -9.266 1.00 0.00 N ATOM 0 H GLN D 24 -5.552 4.618 -5.475 1.00 0.00 H new ATOM 0 HA GLN D 24 -7.992 5.895 -4.854 1.00 0.00 H new ATOM 0 HB2 GLN D 24 -6.701 5.656 -7.092 1.00 0.00 H new ATOM 0 HB3 GLN D 24 -7.392 4.049 -7.192 1.00 0.00 H new ATOM 0 HG2 GLN D 24 -9.683 5.309 -6.733 1.00 0.00 H new ATOM 0 HG3 GLN D 24 -8.800 6.724 -7.273 1.00 0.00 H new ATOM 0 HE21 GLN D 24 -11.043 5.857 -8.653 1.00 0.00 H new ATOM 0 HE22 GLN D 24 -10.544 5.261 -10.239 1.00 0.00 H new ATOM 909 N TYR D 25 -8.103 2.554 -4.905 1.00 0.00 N ATOM 910 CA TYR D 25 -8.915 1.407 -4.482 1.00 0.00 C ATOM 911 C TYR D 25 -9.346 1.566 -3.023 1.00 0.00 C ATOM 912 O TYR D 25 -10.530 1.441 -2.705 1.00 0.00 O ATOM 913 CB TYR D 25 -8.149 0.089 -4.703 1.00 0.00 C ATOM 914 CG TYR D 25 -8.728 -1.131 -3.996 1.00 0.00 C ATOM 915 CD1 TYR D 25 -10.101 -1.432 -4.095 1.00 0.00 C ATOM 916 CD2 TYR D 25 -7.903 -1.936 -3.184 1.00 0.00 C ATOM 917 CE1 TYR D 25 -10.655 -2.480 -3.339 1.00 0.00 C ATOM 918 CE2 TYR D 25 -8.450 -2.986 -2.427 1.00 0.00 C ATOM 919 CZ TYR D 25 -9.839 -3.233 -2.470 1.00 0.00 C ATOM 920 OH TYR D 25 -10.413 -4.162 -1.660 1.00 0.00 O ATOM 0 H TYR D 25 -7.207 2.289 -5.313 1.00 0.00 H new ATOM 0 HA TYR D 25 -9.816 1.372 -5.094 1.00 0.00 H new ATOM 0 HB2 TYR D 25 -8.113 -0.115 -5.773 1.00 0.00 H new ATOM 0 HB3 TYR D 25 -7.120 0.226 -4.370 1.00 0.00 H new ATOM 0 HD1 TYR D 25 -10.731 -0.855 -4.755 1.00 0.00 H new ATOM 0 HD2 TYR D 25 -6.841 -1.744 -3.143 1.00 0.00 H new ATOM 0 HE1 TYR D 25 -11.707 -2.709 -3.424 1.00 0.00 H new ATOM 0 HE2 TYR D 25 -7.809 -3.602 -1.814 1.00 0.00 H new ATOM 0 HH TYR D 25 -11.246 -4.480 -2.066 1.00 0.00 H new ATOM 930 N LEU D 26 -8.402 1.934 -2.155 1.00 0.00 N ATOM 931 CA LEU D 26 -8.657 2.141 -0.733 1.00 0.00 C ATOM 932 C LEU D 26 -9.692 3.248 -0.510 1.00 0.00 C ATOM 933 O LEU D 26 -10.484 3.202 0.440 1.00 0.00 O ATOM 934 CB LEU D 26 -7.330 2.476 -0.037 1.00 0.00 C ATOM 935 CG LEU D 26 -6.976 1.410 1.004 1.00 0.00 C ATOM 936 CD1 LEU D 26 -5.539 1.624 1.451 1.00 0.00 C ATOM 937 CD2 LEU D 26 -7.902 1.467 2.219 1.00 0.00 C ATOM 0 H LEU D 26 -7.432 2.097 -2.424 1.00 0.00 H new ATOM 0 HA LEU D 26 -9.072 1.229 -0.304 1.00 0.00 H new ATOM 0 HB2 LEU D 26 -6.533 2.546 -0.778 1.00 0.00 H new ATOM 0 HB3 LEU D 26 -7.403 3.451 0.445 1.00 0.00 H new ATOM 0 HG LEU D 26 -7.098 0.429 0.545 1.00 0.00 H new ATOM 0 HD11 LEU D 26 -5.273 0.871 2.193 1.00 0.00 H new ATOM 0 HD12 LEU D 26 -4.874 1.537 0.592 1.00 0.00 H new ATOM 0 HD13 LEU D 26 -5.438 2.617 1.889 1.00 0.00 H new ATOM 0 HD21 LEU D 26 -7.615 0.694 2.932 1.00 0.00 H new ATOM 0 HD22 LEU D 26 -7.821 2.445 2.693 1.00 0.00 H new ATOM 0 HD23 LEU D 26 -8.931 1.303 1.900 1.00 0.00 H new ATOM 949 N ASN D 27 -9.671 4.256 -1.382 1.00 0.00 N ATOM 950 CA ASN D 27 -10.587 5.383 -1.352 1.00 0.00 C ATOM 951 C ASN D 27 -11.987 4.868 -1.667 1.00 0.00 C ATOM 952 O ASN D 27 -12.920 5.225 -0.955 1.00 0.00 O ATOM 953 CB ASN D 27 -10.124 6.464 -2.340 1.00 0.00 C ATOM 954 CG ASN D 27 -10.708 7.834 -2.048 1.00 0.00 C ATOM 955 OD1 ASN D 27 -11.920 8.011 -2.010 1.00 0.00 O ATOM 956 ND2 ASN D 27 -9.873 8.856 -1.960 1.00 0.00 N ATOM 0 H ASN D 27 -8.997 4.307 -2.146 1.00 0.00 H new ATOM 0 HA ASN D 27 -10.603 5.847 -0.366 1.00 0.00 H new ATOM 0 HB2 ASN D 27 -9.036 6.528 -2.315 1.00 0.00 H new ATOM 0 HB3 ASN D 27 -10.403 6.166 -3.351 1.00 0.00 H new ATOM 0 HD21 ASN D 27 -10.236 9.804 -1.859 1.00 0.00 H new ATOM 0 HD22 ASN D 27 -8.866 8.696 -1.993 1.00 0.00 H new ATOM 963 N VAL D 28 -12.138 3.987 -2.668 1.00 0.00 N ATOM 964 CA VAL D 28 -13.429 3.409 -3.044 1.00 0.00 C ATOM 965 C VAL D 28 -13.994 2.630 -1.849 1.00 0.00 C ATOM 966 O VAL D 28 -15.132 2.885 -1.448 1.00 0.00 O ATOM 967 CB VAL D 28 -13.328 2.488 -4.289 1.00 0.00 C ATOM 968 CG1 VAL D 28 -14.730 2.095 -4.783 1.00 0.00 C ATOM 969 CG2 VAL D 28 -12.571 3.092 -5.477 1.00 0.00 C ATOM 0 H VAL D 28 -11.361 3.656 -3.240 1.00 0.00 H new ATOM 0 HA VAL D 28 -14.098 4.226 -3.314 1.00 0.00 H new ATOM 0 HB VAL D 28 -12.759 1.625 -3.942 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -14.640 1.449 -5.657 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -15.259 1.564 -3.992 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -15.286 2.993 -5.051 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -12.553 2.376 -6.299 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -13.072 4.004 -5.802 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -11.550 3.326 -5.177 1.00 0.00 H new ATOM 979 N VAL D 29 -13.190 1.750 -1.240 1.00 0.00 N ATOM 980 CA VAL D 29 -13.567 0.914 -0.097 1.00 0.00 C ATOM 981 C VAL D 29 -14.128 1.766 1.046 1.00 0.00 C ATOM 982 O VAL D 29 -15.241 1.532 1.522 1.00 0.00 O ATOM 983 CB VAL D 29 -12.344 0.076 0.341 1.00 0.00 C ATOM 984 CG1 VAL D 29 -12.569 -0.706 1.637 1.00 0.00 C ATOM 985 CG2 VAL D 29 -11.960 -0.962 -0.718 1.00 0.00 C ATOM 0 H VAL D 29 -12.227 1.596 -1.540 1.00 0.00 H new ATOM 0 HA VAL D 29 -14.365 0.231 -0.389 1.00 0.00 H new ATOM 0 HB VAL D 29 -11.557 0.816 0.487 1.00 0.00 H new ATOM 0 HG11 VAL D 29 -11.669 -1.270 1.882 1.00 0.00 H new ATOM 0 HG12 VAL D 29 -12.794 -0.012 2.447 1.00 0.00 H new ATOM 0 HG13 VAL D 29 -13.404 -1.394 1.506 1.00 0.00 H new ATOM 0 HG21 VAL D 29 -11.096 -1.531 -0.374 1.00 0.00 H new ATOM 0 HG22 VAL D 29 -12.798 -1.639 -0.884 1.00 0.00 H new ATOM 0 HG23 VAL D 29 -11.712 -0.456 -1.651 1.00 0.00 H new ATOM 995 N THR D 30 -13.377 2.773 1.484 1.00 0.00 N ATOM 996 CA THR D 30 -13.780 3.661 2.573 1.00 0.00 C ATOM 997 C THR D 30 -14.747 4.756 2.134 1.00 0.00 C ATOM 998 O THR D 30 -15.310 5.466 2.973 1.00 0.00 O ATOM 999 CB THR D 30 -12.504 4.266 3.183 1.00 0.00 C ATOM 1000 OG1 THR D 30 -11.767 4.965 2.193 1.00 0.00 O ATOM 1001 CG2 THR D 30 -11.607 3.194 3.814 1.00 0.00 C ATOM 0 H THR D 30 -12.463 2.998 1.090 1.00 0.00 H new ATOM 0 HA THR D 30 -14.327 3.076 3.312 1.00 0.00 H new ATOM 0 HB THR D 30 -12.820 4.954 3.967 1.00 0.00 H new ATOM 0 HG1 THR D 30 -11.216 4.332 1.687 1.00 0.00 H new ATOM 0 HG21 THR D 30 -10.717 3.664 4.233 1.00 0.00 H new ATOM 0 HG22 THR D 30 -12.154 2.682 4.606 1.00 0.00 H new ATOM 0 HG23 THR D 30 -11.312 2.472 3.052 1.00 0.00 H new ATOM 1009 N ARG D 31 -15.049 4.828 0.838 1.00 0.00 N ATOM 1010 CA ARG D 31 -15.901 5.845 0.221 1.00 0.00 C ATOM 1011 C ARG D 31 -15.346 7.223 0.629 1.00 0.00 C ATOM 1012 O ARG D 31 -16.121 8.119 0.975 1.00 0.00 O ATOM 1013 CB ARG D 31 -17.379 5.607 0.584 1.00 0.00 C ATOM 1014 CG ARG D 31 -18.354 6.358 -0.340 1.00 0.00 C ATOM 1015 CD ARG D 31 -19.684 6.638 0.367 1.00 0.00 C ATOM 1016 NE ARG D 31 -20.346 5.398 0.804 1.00 0.00 N ATOM 1017 CZ ARG D 31 -21.309 5.303 1.726 1.00 0.00 C ATOM 1018 NH1 ARG D 31 -21.733 6.380 2.379 1.00 0.00 N ATOM 1019 NH2 ARG D 31 -21.834 4.116 1.997 1.00 0.00 N ATOM 0 H ARG D 31 -14.693 4.152 0.162 1.00 0.00 H new ATOM 0 HA ARG D 31 -15.881 5.792 -0.868 1.00 0.00 H new ATOM 0 HB2 ARG D 31 -17.592 4.539 0.536 1.00 0.00 H new ATOM 0 HB3 ARG D 31 -17.549 5.920 1.614 1.00 0.00 H new ATOM 0 HG2 ARG D 31 -17.905 7.298 -0.660 1.00 0.00 H new ATOM 0 HG3 ARG D 31 -18.534 5.768 -1.239 1.00 0.00 H new ATOM 0 HD2 ARG D 31 -19.508 7.279 1.231 1.00 0.00 H new ATOM 0 HD3 ARG D 31 -20.345 7.184 -0.306 1.00 0.00 H new ATOM 0 HE ARG D 31 -20.041 4.531 0.362 1.00 0.00 H new ATOM 0 HH11 ARG D 31 -21.323 7.292 2.179 1.00 0.00 H new ATOM 0 HH12 ARG D 31 -22.469 6.294 3.080 1.00 0.00 H new ATOM 0 HH21 ARG D 31 -21.502 3.287 1.504 1.00 0.00 H new ATOM 0 HH22 ARG D 31 -22.569 4.032 2.699 1.00 0.00 H new ATOM 1033 N HIS D 32 -14.010 7.326 0.729 1.00 0.00 N ATOM 1034 CA HIS D 32 -13.189 8.479 1.116 1.00 0.00 C ATOM 1035 C HIS D 32 -13.219 8.746 2.636 1.00 0.00 C ATOM 1036 O HIS D 32 -12.563 9.670 3.121 1.00 0.00 O ATOM 1037 CB HIS D 32 -13.603 9.721 0.304 1.00 0.00 C ATOM 1038 CG HIS D 32 -12.608 10.850 0.326 1.00 0.00 C ATOM 1039 ND1 HIS D 32 -11.346 10.835 -0.224 1.00 0.00 N ATOM 1040 CD2 HIS D 32 -12.818 12.095 0.851 1.00 0.00 C ATOM 1041 CE1 HIS D 32 -10.801 12.049 -0.032 1.00 0.00 C ATOM 1042 NE2 HIS D 32 -11.676 12.857 0.595 1.00 0.00 N ATOM 0 H HIS D 32 -13.421 6.520 0.519 1.00 0.00 H new ATOM 0 HA HIS D 32 -12.152 8.242 0.879 1.00 0.00 H new ATOM 0 HB2 HIS D 32 -13.769 9.422 -0.731 1.00 0.00 H new ATOM 0 HB3 HIS D 32 -14.555 10.087 0.687 1.00 0.00 H new ATOM 0 HD2 HIS D 32 -13.705 12.428 1.369 1.00 0.00 H new ATOM 0 HE1 HIS D 32 -9.805 12.335 -0.337 1.00 0.00 H new ATOM 0 HE2 HIS D 32 -11.533 13.838 0.837 1.00 0.00 H new ATOM 1050 N ARG D 33 -13.940 7.935 3.421 1.00 0.00 N ATOM 1051 CA ARG D 33 -14.081 8.095 4.869 1.00 0.00 C ATOM 1052 C ARG D 33 -13.098 7.250 5.661 1.00 0.00 C ATOM 1053 O ARG D 33 -13.470 6.205 6.212 1.00 0.00 O ATOM 1054 CB ARG D 33 -15.538 7.829 5.284 1.00 0.00 C ATOM 1055 CG ARG D 33 -16.459 8.818 4.557 1.00 0.00 C ATOM 1056 CD ARG D 33 -17.838 9.023 5.195 1.00 0.00 C ATOM 1057 NE ARG D 33 -18.399 10.320 4.779 1.00 0.00 N ATOM 1058 CZ ARG D 33 -17.955 11.522 5.189 1.00 0.00 C ATOM 1059 NH1 ARG D 33 -17.133 11.661 6.224 1.00 0.00 N ATOM 1060 NH2 ARG D 33 -18.293 12.614 4.523 1.00 0.00 N ATOM 0 H ARG D 33 -14.452 7.132 3.056 1.00 0.00 H new ATOM 0 HA ARG D 33 -13.830 9.127 5.113 1.00 0.00 H new ATOM 0 HB2 ARG D 33 -15.818 6.805 5.037 1.00 0.00 H new ATOM 0 HB3 ARG D 33 -15.647 7.938 6.363 1.00 0.00 H new ATOM 0 HG2 ARG D 33 -15.956 9.783 4.502 1.00 0.00 H new ATOM 0 HG3 ARG D 33 -16.599 8.472 3.533 1.00 0.00 H new ATOM 0 HD2 ARG D 33 -18.508 8.216 4.899 1.00 0.00 H new ATOM 0 HD3 ARG D 33 -17.754 8.985 6.281 1.00 0.00 H new ATOM 0 HE ARG D 33 -19.185 10.306 4.129 1.00 0.00 H new ATOM 0 HH11 ARG D 33 -16.817 10.839 6.738 1.00 0.00 H new ATOM 0 HH12 ARG D 33 -16.818 12.590 6.504 1.00 0.00 H new ATOM 0 HH21 ARG D 33 -18.890 12.544 3.699 1.00 0.00 H new ATOM 0 HH22 ARG D 33 -17.957 13.525 4.834 1.00 0.00 H new ATOM 1074 N TYR D 34 -11.829 7.640 5.643 1.00 0.00 N ATOM 1075 CA TYR D 34 -10.809 6.935 6.400 1.00 0.00 C ATOM 1076 C TYR D 34 -10.992 7.367 7.859 1.00 0.00 C ATOM 1077 O TYR D 34 -11.337 8.516 8.150 1.00 0.00 O ATOM 1078 CB TYR D 34 -9.411 7.286 5.893 1.00 0.00 C ATOM 1079 CG TYR D 34 -9.217 7.092 4.401 1.00 0.00 C ATOM 1080 CD1 TYR D 34 -8.809 5.847 3.888 1.00 0.00 C ATOM 1081 CD2 TYR D 34 -9.401 8.178 3.526 1.00 0.00 C ATOM 1082 CE1 TYR D 34 -8.552 5.701 2.518 1.00 0.00 C ATOM 1083 CE2 TYR D 34 -9.126 8.048 2.156 1.00 0.00 C ATOM 1084 CZ TYR D 34 -8.690 6.805 1.653 1.00 0.00 C ATOM 1085 OH TYR D 34 -8.373 6.657 0.346 1.00 0.00 O ATOM 0 H TYR D 34 -11.485 8.440 5.112 1.00 0.00 H new ATOM 0 HA TYR D 34 -10.910 5.855 6.293 1.00 0.00 H new ATOM 0 HB2 TYR D 34 -9.198 8.326 6.142 1.00 0.00 H new ATOM 0 HB3 TYR D 34 -8.681 6.675 6.424 1.00 0.00 H new ATOM 0 HD1 TYR D 34 -8.694 5.002 4.551 1.00 0.00 H new ATOM 0 HD2 TYR D 34 -9.758 9.121 3.912 1.00 0.00 H new ATOM 0 HE1 TYR D 34 -8.248 4.742 2.125 1.00 0.00 H new ATOM 0 HE2 TYR D 34 -9.247 8.892 1.493 1.00 0.00 H new ATOM 0 HH TYR D 34 -8.521 7.504 -0.124 1.00 0.00 H new HETATM 1095 N NH2 D 35 -10.742 6.484 8.801 1.00 0.00 N TER 1098 NH2 D 35 HETATM 1099 N ZAB A 10 3.541 -5.480 2.128 1.00 0.00 N HETATM 1100 CA ZAB A 10 2.303 -4.725 2.174 1.00 0.00 C HETATM 1101 CB ZAB A 10 1.232 -5.613 2.770 1.00 0.00 C HETATM 1102 CG2 ZAB A 10 0.007 -5.777 2.108 1.00 0.00 C HETATM 1103 CD2 ZAB A 10 -0.982 -6.611 2.653 1.00 0.00 C HETATM 1104 CE ZAB A 10 -0.762 -7.239 3.890 1.00 0.00 C HETATM 1105 CD1 ZAB A 10 0.448 -7.034 4.578 1.00 0.00 C HETATM 1106 CG1 ZAB A 10 1.456 -6.252 4.004 1.00 0.00 C HETATM 1107 NG ZAB A 10 0.683 -7.621 5.808 1.00 0.00 N HETATM 1108 NI ZAB A 10 -0.085 -7.753 6.839 1.00 0.00 N HETATM 1109 CI ZAB A 10 -1.385 -7.325 7.018 1.00 0.00 C HETATM 1110 CJ2 ZAB A 10 -1.618 -5.961 7.243 1.00 0.00 C HETATM 1111 CK2 ZAB A 10 -2.934 -5.491 7.307 1.00 0.00 C HETATM 1112 CL ZAB A 10 -4.009 -6.385 7.144 1.00 0.00 C HETATM 1113 CK1 ZAB A 10 -3.782 -7.757 6.909 1.00 0.00 C HETATM 1114 CJ1 ZAB A 10 -2.449 -8.225 6.857 1.00 0.00 C HETATM 1115 CM ZAB A 10 -4.927 -8.753 6.746 1.00 0.00 C HETATM 1116 C ZAB A 10 -6.346 -8.181 6.631 1.00 0.00 C HETATM 1117 O ZAB A 10 -6.855 -8.038 5.514 1.00 0.00 O HETATM 0 HN1 ZAB A 10 3.565 -6.441 2.469 1.00 0.00 H new HETATM 0 HM3 ZAB A 10 -4.731 -9.350 5.855 1.00 0.00 H new HETATM 0 HM2 ZAB A 10 -4.906 -9.434 7.597 1.00 0.00 H new HETATM 0 HL ZAB A 10 -5.031 -6.012 7.200 1.00 0.00 H new HETATM 0 HK2 ZAB A 10 -3.127 -4.433 7.483 1.00 0.00 H new HETATM 0 HJ2 ZAB A 10 -0.782 -5.273 7.367 1.00 0.00 H new HETATM 0 HJ1 ZAB A 10 -2.248 -9.284 6.692 1.00 0.00 H new HETATM 0 HG2 ZAB A 10 -0.178 -5.256 1.169 1.00 0.00 H new HETATM 0 HG1 ZAB A 10 2.414 -6.138 4.512 1.00 0.00 H new HETATM 0 HE ZAB A 10 -1.529 -7.885 4.317 1.00 0.00 H new HETATM 0 HD2 ZAB A 10 -1.918 -6.771 2.118 1.00 0.00 H new HETATM 0 HA3 ZAB A 10 2.429 -3.824 2.775 1.00 0.00 H new HETATM 0 HA2 ZAB A 10 2.016 -4.403 1.173 1.00 0.00 H new HETATM 1131 N ZAB B 110 -3.944 -5.792 -2.057 1.00 0.00 N HETATM 1132 CA ZAB B 110 -2.578 -5.295 -2.086 1.00 0.00 C HETATM 1133 CB ZAB B 110 -1.642 -6.412 -2.488 1.00 0.00 C HETATM 1134 CG2 ZAB B 110 -0.664 -6.877 -1.598 1.00 0.00 C HETATM 1135 CD2 ZAB B 110 0.223 -7.899 -1.987 1.00 0.00 C HETATM 1136 CE ZAB B 110 0.111 -8.472 -3.261 1.00 0.00 C HETATM 1137 CD1 ZAB B 110 -0.903 -8.031 -4.134 1.00 0.00 C HETATM 1138 CG1 ZAB B 110 -1.763 -6.991 -3.766 1.00 0.00 C HETATM 1139 NG ZAB B 110 -1.038 -8.624 -5.368 1.00 0.00 N HETATM 1140 NI ZAB B 110 -0.198 -8.649 -6.345 1.00 0.00 N HETATM 1141 CI ZAB B 110 1.063 -8.092 -6.432 1.00 0.00 C HETATM 1142 CJ2 ZAB B 110 1.188 -6.694 -6.478 1.00 0.00 C HETATM 1143 CK2 ZAB B 110 2.463 -6.126 -6.556 1.00 0.00 C HETATM 1144 CL ZAB B 110 3.604 -6.950 -6.626 1.00 0.00 C HETATM 1145 CK1 ZAB B 110 3.481 -8.349 -6.566 1.00 0.00 C HETATM 1146 CJ1 ZAB B 110 2.195 -8.919 -6.464 1.00 0.00 C HETATM 1147 CM ZAB B 110 4.710 -9.249 -6.662 1.00 0.00 C HETATM 1148 C ZAB B 110 6.045 -8.615 -6.257 1.00 0.00 C HETATM 1149 O ZAB B 110 6.297 -8.501 -5.054 1.00 0.00 O HETATM 0 HM3 ZAB B 110 4.543 -10.125 -6.036 1.00 0.00 H new HETATM 0 HM2 ZAB B 110 4.796 -9.603 -7.689 1.00 0.00 H new HETATM 0 HL ZAB B 110 4.591 -6.498 -6.728 1.00 0.00 H new HETATM 0 HK2 ZAB B 110 2.575 -5.042 -6.563 1.00 0.00 H new HETATM 0 HJ2 ZAB B 110 0.302 -6.060 -6.453 1.00 0.00 H new HETATM 0 HJ1 ZAB B 110 2.081 -10.002 -6.410 1.00 0.00 H new HETATM 0 HG2 ZAB B 110 -0.590 -6.445 -0.600 1.00 0.00 H new HETATM 0 HG1 ZAB B 110 -2.520 -6.632 -4.463 1.00 0.00 H new HETATM 0 HE ZAB B 110 0.803 -9.253 -3.574 1.00 0.00 H new HETATM 0 HD2 ZAB B 110 0.995 -8.244 -1.299 1.00 0.00 H new HETATM 0 HA3 ZAB B 110 -2.496 -4.467 -2.790 1.00 0.00 H new HETATM 0 HA2 ZAB B 110 -2.300 -4.908 -1.106 1.00 0.00 H new