USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, 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: A 10 ZAB HN1 : 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 24 GLN : amide:sc= 0.539 K(o=1.9,f=-0.48) USER MOD Set 1.2: D 27 ASN : amide:sc= 1 K(o=1.9,f=-0.48) USER MOD Set 1.3: D 34 TYR OH : rot -95:sc= 0.357 USER MOD Set 2.1: C 24 GLN : amide:sc= 0.4 K(o=0.8,f=-1.2) USER MOD Set 2.2: C 27 ASN : amide:sc= 0.395 K(o=0.8,f=-1.2!) USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.116 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.321 X(o=-0.32,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 GLY N :NH3+ -128:sc= 0.0886 (180deg=0) USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) 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 166:sc= 1.24 USER MOD Single : C 20 ASN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : C 23 GLN : amide:sc= -0.139 X(o=-0.14,f=0) USER MOD Single : C 25 TYR OH : rot -23:sc= 1.21 USER MOD Single : C 30 THR OG1 : rot -74:sc= 1.14 USER MOD Single : C 32 HIS : no HD1:sc= -0.233 X(o=-0.23,f=-0.17) USER MOD Single : C 34 TYR OH : rot 30:sc= 0 USER MOD Single : D 19 TYR OH : rot -170:sc= 1.23 USER MOD Single : D 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 25 TYR OH : rot 180:sc= 0 USER MOD Single : D 30 THR OG1 : rot -77:sc= 1.28 USER MOD Single : D 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.187 -3.507 -2.921 1.00 0.00 N ATOM 2 CA GLY A 1 23.465 -3.647 -1.653 1.00 0.00 C ATOM 3 C GLY A 1 22.973 -5.071 -1.473 1.00 0.00 C ATOM 4 O GLY A 1 23.529 -5.989 -2.080 1.00 0.00 O ATOM 0 H1 GLY A 1 25.063 -2.968 -2.764 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.422 -4.449 -3.292 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.589 -3.004 -3.607 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.119 -3.375 -0.824 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.620 -2.959 -1.632 1.00 0.00 H new ATOM 8 N PRO A 2 21.985 -5.295 -0.594 1.00 0.00 N ATOM 9 CA PRO A 2 21.421 -6.615 -0.371 1.00 0.00 C ATOM 10 C PRO A 2 20.629 -7.031 -1.618 1.00 0.00 C ATOM 11 O PRO A 2 20.316 -6.202 -2.480 1.00 0.00 O ATOM 12 CB PRO A 2 20.528 -6.462 0.865 1.00 0.00 C ATOM 13 CG PRO A 2 20.043 -5.020 0.743 1.00 0.00 C ATOM 14 CD PRO A 2 21.269 -4.299 0.182 1.00 0.00 C ATOM 0 HA PRO A 2 22.168 -7.391 -0.203 1.00 0.00 H new ATOM 0 HB2 PRO A 2 19.700 -7.171 0.858 1.00 0.00 H new ATOM 0 HB3 PRO A 2 21.082 -6.627 1.789 1.00 0.00 H new ATOM 0 HG2 PRO A 2 19.184 -4.937 0.077 1.00 0.00 H new ATOM 0 HG3 PRO A 2 19.739 -4.612 1.707 1.00 0.00 H new ATOM 0 HD2 PRO A 2 20.976 -3.453 -0.440 1.00 0.00 H new ATOM 0 HD3 PRO A 2 21.893 -3.904 0.984 1.00 0.00 H new ATOM 22 N SER A 3 20.292 -8.317 -1.704 1.00 0.00 N ATOM 23 CA SER A 3 19.553 -8.861 -2.822 1.00 0.00 C ATOM 24 C SER A 3 18.070 -8.866 -2.467 1.00 0.00 C ATOM 25 O SER A 3 17.290 -8.127 -3.070 1.00 0.00 O ATOM 26 CB SER A 3 20.129 -10.240 -3.164 1.00 0.00 C ATOM 27 OG SER A 3 19.525 -10.815 -4.297 1.00 0.00 O ATOM 0 H SER A 3 20.529 -9.007 -0.992 1.00 0.00 H new ATOM 0 HA SER A 3 19.652 -8.255 -3.723 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.201 -10.149 -3.336 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.999 -10.906 -2.311 1.00 0.00 H new ATOM 0 HG SER A 3 19.928 -11.691 -4.474 1.00 0.00 H new ATOM 33 N GLN A 4 17.697 -9.631 -1.442 1.00 0.00 N ATOM 34 CA GLN A 4 16.326 -9.781 -0.974 1.00 0.00 C ATOM 35 C GLN A 4 16.306 -9.902 0.563 1.00 0.00 C ATOM 36 O GLN A 4 16.171 -11.006 1.100 1.00 0.00 O ATOM 37 CB GLN A 4 15.679 -10.984 -1.700 1.00 0.00 C ATOM 38 CG GLN A 4 16.503 -12.294 -1.641 1.00 0.00 C ATOM 39 CD GLN A 4 15.670 -13.576 -1.617 1.00 0.00 C ATOM 40 OE1 GLN A 4 16.065 -14.574 -2.218 1.00 0.00 O ATOM 41 NE2 GLN A 4 14.646 -13.662 -0.778 1.00 0.00 N ATOM 0 H GLN A 4 18.364 -10.179 -0.899 1.00 0.00 H new ATOM 0 HA GLN A 4 15.730 -8.901 -1.215 1.00 0.00 H new ATOM 0 HB2 GLN A 4 14.697 -11.168 -1.265 1.00 0.00 H new ATOM 0 HB3 GLN A 4 15.520 -10.718 -2.745 1.00 0.00 H new ATOM 0 HG2 GLN A 4 17.169 -12.327 -2.503 1.00 0.00 H new ATOM 0 HG3 GLN A 4 17.133 -12.270 -0.752 1.00 0.00 H new ATOM 0 HE21 GLN A 4 14.322 -12.832 -0.282 1.00 0.00 H new ATOM 0 HE22 GLN A 4 14.183 -14.558 -0.629 1.00 0.00 H new ATOM 50 N PRO A 5 16.500 -8.806 1.315 1.00 0.00 N ATOM 51 CA PRO A 5 16.493 -8.877 2.771 1.00 0.00 C ATOM 52 C PRO A 5 15.077 -9.144 3.289 1.00 0.00 C ATOM 53 O PRO A 5 14.097 -8.932 2.565 1.00 0.00 O ATOM 54 CB PRO A 5 17.034 -7.525 3.239 1.00 0.00 C ATOM 55 CG PRO A 5 16.618 -6.571 2.121 1.00 0.00 C ATOM 56 CD PRO A 5 16.666 -7.435 0.859 1.00 0.00 C ATOM 0 HA PRO A 5 17.104 -9.695 3.153 1.00 0.00 H new ATOM 0 HB2 PRO A 5 16.607 -7.231 4.198 1.00 0.00 H new ATOM 0 HB3 PRO A 5 18.116 -7.547 3.366 1.00 0.00 H new ATOM 0 HG2 PRO A 5 15.620 -6.168 2.291 1.00 0.00 H new ATOM 0 HG3 PRO A 5 17.297 -5.721 2.049 1.00 0.00 H new ATOM 0 HD2 PRO A 5 15.875 -7.155 0.163 1.00 0.00 H new ATOM 0 HD3 PRO A 5 17.613 -7.309 0.334 1.00 0.00 H new ATOM 64 N THR A 6 14.973 -9.718 4.490 1.00 0.00 N ATOM 65 CA THR A 6 13.680 -9.991 5.094 1.00 0.00 C ATOM 66 C THR A 6 13.086 -8.637 5.475 1.00 0.00 C ATOM 67 O THR A 6 13.758 -7.800 6.082 1.00 0.00 O ATOM 68 CB THR A 6 13.792 -10.966 6.283 1.00 0.00 C ATOM 69 OG1 THR A 6 12.505 -11.240 6.806 1.00 0.00 O ATOM 70 CG2 THR A 6 14.680 -10.500 7.443 1.00 0.00 C ATOM 0 H THR A 6 15.772 -10.000 5.058 1.00 0.00 H new ATOM 0 HA THR A 6 13.018 -10.502 4.395 1.00 0.00 H new ATOM 0 HB THR A 6 14.271 -11.850 5.861 1.00 0.00 H new ATOM 0 HG1 THR A 6 12.584 -11.861 7.560 1.00 0.00 H new ATOM 0 HG21 THR A 6 14.687 -11.261 8.224 1.00 0.00 H new ATOM 0 HG22 THR A 6 15.696 -10.341 7.082 1.00 0.00 H new ATOM 0 HG23 THR A 6 14.289 -9.567 7.849 1.00 0.00 H new ATOM 78 N TYR A 7 11.838 -8.421 5.090 1.00 0.00 N ATOM 79 CA TYR A 7 11.075 -7.218 5.347 1.00 0.00 C ATOM 80 C TYR A 7 9.590 -7.599 5.378 1.00 0.00 C ATOM 81 O TYR A 7 9.221 -8.593 4.745 1.00 0.00 O ATOM 82 CB TYR A 7 11.322 -6.217 4.209 1.00 0.00 C ATOM 83 CG TYR A 7 12.524 -5.284 4.280 1.00 0.00 C ATOM 84 CD1 TYR A 7 13.006 -4.771 5.504 1.00 0.00 C ATOM 85 CD2 TYR A 7 13.020 -4.754 3.073 1.00 0.00 C ATOM 86 CE1 TYR A 7 13.946 -3.726 5.519 1.00 0.00 C ATOM 87 CE2 TYR A 7 13.928 -3.685 3.079 1.00 0.00 C ATOM 88 CZ TYR A 7 14.379 -3.156 4.303 1.00 0.00 C ATOM 89 OH TYR A 7 15.068 -1.985 4.306 1.00 0.00 O ATOM 0 H TYR A 7 11.308 -9.116 4.565 1.00 0.00 H new ATOM 0 HA TYR A 7 11.371 -6.767 6.294 1.00 0.00 H new ATOM 0 HB2 TYR A 7 11.405 -6.788 3.284 1.00 0.00 H new ATOM 0 HB3 TYR A 7 10.431 -5.596 4.121 1.00 0.00 H new ATOM 0 HD1 TYR A 7 12.650 -5.185 6.436 1.00 0.00 H new ATOM 0 HD2 TYR A 7 12.698 -5.175 2.132 1.00 0.00 H new ATOM 0 HE1 TYR A 7 14.335 -3.361 6.458 1.00 0.00 H new ATOM 0 HE2 TYR A 7 14.280 -3.269 2.147 1.00 0.00 H new ATOM 0 HH TYR A 7 15.291 -1.734 3.385 1.00 0.00 H new ATOM 99 N PRO A 8 8.722 -6.772 5.981 1.00 0.00 N ATOM 100 CA PRO A 8 7.292 -7.053 6.064 1.00 0.00 C ATOM 101 C PRO A 8 6.557 -6.796 4.742 1.00 0.00 C ATOM 102 O PRO A 8 5.637 -7.542 4.396 1.00 0.00 O ATOM 103 CB PRO A 8 6.773 -6.115 7.162 1.00 0.00 C ATOM 104 CG PRO A 8 7.743 -4.933 7.122 1.00 0.00 C ATOM 105 CD PRO A 8 9.069 -5.577 6.738 1.00 0.00 C ATOM 0 HA PRO A 8 7.116 -8.106 6.284 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.749 -5.798 6.966 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.775 -6.601 8.137 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.434 -4.184 6.393 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.805 -4.431 8.088 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.676 -4.897 6.140 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.652 -5.830 7.623 1.00 0.00 H new ATOM 113 N GLY A 9 7.048 -5.859 3.921 1.00 0.00 N ATOM 114 CA GLY A 9 6.390 -5.529 2.667 1.00 0.00 C ATOM 115 C GLY A 9 5.064 -4.841 2.998 1.00 0.00 C ATOM 116 O GLY A 9 4.947 -4.180 4.036 1.00 0.00 O ATOM 0 H GLY A 9 7.895 -5.323 4.108 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.020 -4.873 2.066 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.216 -6.430 2.079 1.00 0.00 H new TER 120 GLY A 9 ATOM 121 N PRO C 11 -6.562 -7.730 8.296 1.00 0.00 N ATOM 122 CA PRO C 11 -7.913 -7.205 8.192 1.00 0.00 C ATOM 123 C PRO C 11 -7.842 -5.826 7.533 1.00 0.00 C ATOM 124 O PRO C 11 -6.991 -5.008 7.893 1.00 0.00 O ATOM 125 CB PRO C 11 -8.459 -7.178 9.622 1.00 0.00 C ATOM 126 CG PRO C 11 -7.210 -7.044 10.491 1.00 0.00 C ATOM 127 CD PRO C 11 -6.125 -7.751 9.682 1.00 0.00 C ATOM 0 HA PRO C 11 -8.580 -7.805 7.573 1.00 0.00 H new ATOM 0 HB2 PRO C 11 -9.142 -6.342 9.773 1.00 0.00 H new ATOM 0 HB3 PRO C 11 -9.012 -8.088 9.855 1.00 0.00 H new ATOM 0 HG2 PRO C 11 -6.958 -5.999 10.670 1.00 0.00 H new ATOM 0 HG3 PRO C 11 -7.349 -7.510 11.466 1.00 0.00 H new ATOM 0 HD2 PRO C 11 -5.166 -7.245 9.794 1.00 0.00 H new ATOM 0 HD3 PRO C 11 -5.987 -8.775 10.030 1.00 0.00 H new ATOM 135 N VAL C 12 -8.760 -5.541 6.610 1.00 0.00 N ATOM 136 CA VAL C 12 -8.794 -4.276 5.885 1.00 0.00 C ATOM 137 C VAL C 12 -8.866 -3.061 6.823 1.00 0.00 C ATOM 138 O VAL C 12 -8.203 -2.060 6.557 1.00 0.00 O ATOM 139 CB VAL C 12 -9.888 -4.324 4.795 1.00 0.00 C ATOM 140 CG1 VAL C 12 -11.314 -4.214 5.349 1.00 0.00 C ATOM 141 CG2 VAL C 12 -9.662 -3.255 3.719 1.00 0.00 C ATOM 0 H VAL C 12 -9.504 -6.186 6.344 1.00 0.00 H new ATOM 0 HA VAL C 12 -7.847 -4.136 5.364 1.00 0.00 H new ATOM 0 HB VAL C 12 -9.796 -5.312 4.344 1.00 0.00 H new ATOM 0 HG11 VAL C 12 -12.028 -4.255 4.526 1.00 0.00 H new ATOM 0 HG12 VAL C 12 -11.503 -5.040 6.035 1.00 0.00 H new ATOM 0 HG13 VAL C 12 -11.426 -3.269 5.880 1.00 0.00 H new ATOM 0 HG21 VAL C 12 -10.451 -3.320 2.970 1.00 0.00 H new ATOM 0 HG22 VAL C 12 -9.679 -2.267 4.179 1.00 0.00 H new ATOM 0 HG23 VAL C 12 -8.695 -3.417 3.242 1.00 0.00 H new ATOM 151 N GLU C 13 -9.525 -3.179 7.982 1.00 0.00 N ATOM 152 CA GLU C 13 -9.655 -2.083 8.944 1.00 0.00 C ATOM 153 C GLU C 13 -8.297 -1.622 9.496 1.00 0.00 C ATOM 154 O GLU C 13 -8.183 -0.474 9.943 1.00 0.00 O ATOM 155 CB GLU C 13 -10.620 -2.501 10.071 1.00 0.00 C ATOM 156 CG GLU C 13 -11.721 -1.461 10.300 1.00 0.00 C ATOM 157 CD GLU C 13 -12.697 -1.410 9.127 1.00 0.00 C ATOM 158 OE1 GLU C 13 -13.616 -2.260 9.054 1.00 0.00 O ATOM 159 OE2 GLU C 13 -12.526 -0.565 8.224 1.00 0.00 O ATOM 0 H GLU C 13 -9.984 -4.041 8.278 1.00 0.00 H new ATOM 0 HA GLU C 13 -10.071 -1.220 8.424 1.00 0.00 H new ATOM 0 HB2 GLU C 13 -11.074 -3.460 9.822 1.00 0.00 H new ATOM 0 HB3 GLU C 13 -10.059 -2.644 10.994 1.00 0.00 H new ATOM 0 HG2 GLU C 13 -12.263 -1.699 11.215 1.00 0.00 H new ATOM 0 HG3 GLU C 13 -11.271 -0.479 10.443 1.00 0.00 H new ATOM 166 N ASP C 14 -7.308 -2.521 9.517 1.00 0.00 N ATOM 167 CA ASP C 14 -5.936 -2.279 9.964 1.00 0.00 C ATOM 168 C ASP C 14 -5.117 -1.934 8.724 1.00 0.00 C ATOM 169 O ASP C 14 -4.388 -0.953 8.744 1.00 0.00 O ATOM 170 CB ASP C 14 -5.363 -3.518 10.666 1.00 0.00 C ATOM 171 CG ASP C 14 -3.883 -3.391 11.057 1.00 0.00 C ATOM 172 OD1 ASP C 14 -3.490 -2.374 11.668 1.00 0.00 O ATOM 173 OD2 ASP C 14 -3.233 -4.461 11.113 1.00 0.00 O ATOM 0 H ASP C 14 -7.451 -3.482 9.208 1.00 0.00 H new ATOM 0 HA ASP C 14 -5.906 -1.463 10.686 1.00 0.00 H new ATOM 0 HB2 ASP C 14 -5.949 -3.717 11.564 1.00 0.00 H new ATOM 0 HB3 ASP C 14 -5.481 -4.381 10.010 1.00 0.00 H new ATOM 178 N LEU C 15 -5.349 -2.626 7.597 1.00 0.00 N ATOM 179 CA LEU C 15 -4.665 -2.417 6.318 1.00 0.00 C ATOM 180 C LEU C 15 -4.777 -0.966 5.844 1.00 0.00 C ATOM 181 O LEU C 15 -3.838 -0.468 5.234 1.00 0.00 O ATOM 182 CB LEU C 15 -5.232 -3.357 5.244 1.00 0.00 C ATOM 183 CG LEU C 15 -4.273 -3.560 4.051 1.00 0.00 C ATOM 184 CD1 LEU C 15 -3.300 -4.714 4.318 1.00 0.00 C ATOM 185 CD2 LEU C 15 -5.091 -3.875 2.792 1.00 0.00 C ATOM 0 H LEU C 15 -6.043 -3.372 7.554 1.00 0.00 H new ATOM 0 HA LEU C 15 -3.610 -2.641 6.476 1.00 0.00 H new ATOM 0 HB2 LEU C 15 -5.451 -4.325 5.695 1.00 0.00 H new ATOM 0 HB3 LEU C 15 -6.177 -2.954 4.879 1.00 0.00 H new ATOM 0 HG LEU C 15 -3.698 -2.645 3.911 1.00 0.00 H new ATOM 0 HD11 LEU C 15 -2.636 -4.835 3.462 1.00 0.00 H new ATOM 0 HD12 LEU C 15 -2.709 -4.494 5.207 1.00 0.00 H new ATOM 0 HD13 LEU C 15 -3.862 -5.635 4.475 1.00 0.00 H new ATOM 0 HD21 LEU C 15 -4.418 -4.019 1.947 1.00 0.00 H new ATOM 0 HD22 LEU C 15 -5.671 -4.784 2.953 1.00 0.00 H new ATOM 0 HD23 LEU C 15 -5.767 -3.046 2.580 1.00 0.00 H new ATOM 197 N ILE C 16 -5.897 -0.290 6.104 1.00 0.00 N ATOM 198 CA ILE C 16 -6.124 1.103 5.724 1.00 0.00 C ATOM 199 C ILE C 16 -5.161 2.002 6.518 1.00 0.00 C ATOM 200 O ILE C 16 -4.556 2.916 5.957 1.00 0.00 O ATOM 201 CB ILE C 16 -7.607 1.459 5.985 1.00 0.00 C ATOM 202 CG1 ILE C 16 -8.561 0.739 5.003 1.00 0.00 C ATOM 203 CG2 ILE C 16 -7.883 2.975 5.922 1.00 0.00 C ATOM 204 CD1 ILE C 16 -9.949 0.496 5.616 1.00 0.00 C ATOM 0 H ILE C 16 -6.688 -0.706 6.595 1.00 0.00 H new ATOM 0 HA ILE C 16 -5.925 1.258 4.664 1.00 0.00 H new ATOM 0 HB ILE C 16 -7.803 1.113 7.000 1.00 0.00 H new ATOM 0 HG12 ILE C 16 -8.665 1.336 4.097 1.00 0.00 H new ATOM 0 HG13 ILE C 16 -8.124 -0.215 4.708 1.00 0.00 H new ATOM 0 HG21 ILE C 16 -8.940 3.161 6.113 1.00 0.00 H new ATOM 0 HG22 ILE C 16 -7.283 3.486 6.675 1.00 0.00 H new ATOM 0 HG23 ILE C 16 -7.622 3.352 4.933 1.00 0.00 H new ATOM 0 HD11 ILE C 16 -10.584 -0.012 4.890 1.00 0.00 H new ATOM 0 HD12 ILE C 16 -9.850 -0.124 6.507 1.00 0.00 H new ATOM 0 HD13 ILE C 16 -10.400 1.451 5.887 1.00 0.00 H new ATOM 216 N ARG C 17 -5.140 1.863 7.848 1.00 0.00 N ATOM 217 CA ARG C 17 -4.287 2.649 8.742 1.00 0.00 C ATOM 218 C ARG C 17 -2.829 2.368 8.395 1.00 0.00 C ATOM 219 O ARG C 17 -2.082 3.291 8.075 1.00 0.00 O ATOM 220 CB ARG C 17 -4.658 2.294 10.193 1.00 0.00 C ATOM 221 CG ARG C 17 -3.909 3.103 11.265 1.00 0.00 C ATOM 222 CD ARG C 17 -4.598 2.849 12.611 1.00 0.00 C ATOM 223 NE ARG C 17 -3.836 3.341 13.770 1.00 0.00 N ATOM 224 CZ ARG C 17 -4.329 3.455 15.010 1.00 0.00 C ATOM 225 NH1 ARG C 17 -5.638 3.379 15.237 1.00 0.00 N ATOM 226 NH2 ARG C 17 -3.505 3.616 16.040 1.00 0.00 N ATOM 0 H ARG C 17 -5.726 1.189 8.341 1.00 0.00 H new ATOM 0 HA ARG C 17 -4.437 3.722 8.624 1.00 0.00 H new ATOM 0 HB2 ARG C 17 -5.729 2.444 10.327 1.00 0.00 H new ATOM 0 HB3 ARG C 17 -4.462 1.234 10.355 1.00 0.00 H new ATOM 0 HG2 ARG C 17 -2.862 2.802 11.309 1.00 0.00 H new ATOM 0 HG3 ARG C 17 -3.925 4.165 11.022 1.00 0.00 H new ATOM 0 HD2 ARG C 17 -5.578 3.326 12.603 1.00 0.00 H new ATOM 0 HD3 ARG C 17 -4.766 1.778 12.726 1.00 0.00 H new ATOM 0 HE ARG C 17 -2.865 3.614 13.618 1.00 0.00 H new ATOM 0 HH11 ARG C 17 -6.283 3.232 14.460 1.00 0.00 H new ATOM 0 HH12 ARG C 17 -5.997 3.468 16.188 1.00 0.00 H new ATOM 0 HH21 ARG C 17 -2.497 3.653 15.886 1.00 0.00 H new ATOM 0 HH22 ARG C 17 -3.880 3.703 16.985 1.00 0.00 H new ATOM 240 N PHE C 18 -2.505 1.083 8.303 1.00 0.00 N ATOM 241 CA PHE C 18 -1.209 0.535 7.976 1.00 0.00 C ATOM 242 C PHE C 18 -0.695 1.118 6.667 1.00 0.00 C ATOM 243 O PHE C 18 0.401 1.655 6.646 1.00 0.00 O ATOM 244 CB PHE C 18 -1.355 -0.986 7.857 1.00 0.00 C ATOM 245 CG PHE C 18 -0.220 -1.690 7.154 1.00 0.00 C ATOM 246 CD1 PHE C 18 1.115 -1.445 7.522 1.00 0.00 C ATOM 247 CD2 PHE C 18 -0.506 -2.570 6.095 1.00 0.00 C ATOM 248 CE1 PHE C 18 2.154 -2.108 6.858 1.00 0.00 C ATOM 249 CE2 PHE C 18 0.532 -3.241 5.436 1.00 0.00 C ATOM 250 CZ PHE C 18 1.861 -3.016 5.827 1.00 0.00 C ATOM 0 H PHE C 18 -3.196 0.351 8.468 1.00 0.00 H new ATOM 0 HA PHE C 18 -0.491 0.787 8.756 1.00 0.00 H new ATOM 0 HB2 PHE C 18 -1.455 -1.404 8.859 1.00 0.00 H new ATOM 0 HB3 PHE C 18 -2.281 -1.205 7.326 1.00 0.00 H new ATOM 0 HD1 PHE C 18 1.338 -0.747 8.315 1.00 0.00 H new ATOM 0 HD2 PHE C 18 -1.529 -2.729 5.789 1.00 0.00 H new ATOM 0 HE1 PHE C 18 3.180 -1.921 7.138 1.00 0.00 H new ATOM 0 HE2 PHE C 18 0.311 -3.927 4.632 1.00 0.00 H new ATOM 0 HZ PHE C 18 2.663 -3.544 5.332 1.00 0.00 H new ATOM 260 N TYR C 19 -1.478 1.044 5.590 1.00 0.00 N ATOM 261 CA TYR C 19 -1.125 1.539 4.265 1.00 0.00 C ATOM 262 C TYR C 19 -0.613 2.977 4.282 1.00 0.00 C ATOM 263 O TYR C 19 0.291 3.320 3.518 1.00 0.00 O ATOM 264 CB TYR C 19 -2.359 1.434 3.361 1.00 0.00 C ATOM 265 CG TYR C 19 -2.207 2.103 2.014 1.00 0.00 C ATOM 266 CD1 TYR C 19 -2.399 3.492 1.903 1.00 0.00 C ATOM 267 CD2 TYR C 19 -1.878 1.346 0.878 1.00 0.00 C ATOM 268 CE1 TYR C 19 -2.199 4.140 0.677 1.00 0.00 C ATOM 269 CE2 TYR C 19 -1.725 1.984 -0.366 1.00 0.00 C ATOM 270 CZ TYR C 19 -1.850 3.394 -0.464 1.00 0.00 C ATOM 271 OH TYR C 19 -1.644 4.070 -1.625 1.00 0.00 O ATOM 0 H TYR C 19 -2.406 0.623 5.621 1.00 0.00 H new ATOM 0 HA TYR C 19 -0.308 0.926 3.885 1.00 0.00 H new ATOM 0 HB2 TYR C 19 -2.591 0.380 3.205 1.00 0.00 H new ATOM 0 HB3 TYR C 19 -3.211 1.875 3.878 1.00 0.00 H new ATOM 0 HD1 TYR C 19 -2.703 4.063 2.768 1.00 0.00 H new ATOM 0 HD2 TYR C 19 -1.743 0.278 0.959 1.00 0.00 H new ATOM 0 HE1 TYR C 19 -2.313 5.212 0.608 1.00 0.00 H new ATOM 0 HE2 TYR C 19 -1.512 1.399 -1.249 1.00 0.00 H new ATOM 0 HH TYR C 19 -1.196 3.484 -2.270 1.00 0.00 H new ATOM 281 N ASN C 20 -1.252 3.839 5.070 1.00 0.00 N ATOM 282 CA ASN C 20 -0.868 5.237 5.155 1.00 0.00 C ATOM 283 C ASN C 20 0.533 5.363 5.729 1.00 0.00 C ATOM 284 O ASN C 20 1.352 6.077 5.157 1.00 0.00 O ATOM 285 CB ASN C 20 -1.905 5.984 6.002 1.00 0.00 C ATOM 286 CG ASN C 20 -2.009 7.445 5.606 1.00 0.00 C ATOM 287 OD1 ASN C 20 -1.048 8.205 5.700 1.00 0.00 O ATOM 288 ND2 ASN C 20 -3.177 7.866 5.150 1.00 0.00 N ATOM 0 H ASN C 20 -2.044 3.586 5.661 1.00 0.00 H new ATOM 0 HA ASN C 20 -0.847 5.684 4.161 1.00 0.00 H new ATOM 0 HB2 ASN C 20 -2.878 5.507 5.889 1.00 0.00 H new ATOM 0 HB3 ASN C 20 -1.634 5.911 7.055 1.00 0.00 H new ATOM 0 HD21 ASN C 20 -3.294 8.839 4.868 1.00 0.00 H new ATOM 0 HD22 ASN C 20 -3.961 7.217 5.080 1.00 0.00 H new ATOM 295 N ASP C 21 0.836 4.613 6.791 1.00 0.00 N ATOM 296 CA ASP C 21 2.156 4.647 7.421 1.00 0.00 C ATOM 297 C ASP C 21 3.191 3.824 6.640 1.00 0.00 C ATOM 298 O ASP C 21 4.371 4.174 6.632 1.00 0.00 O ATOM 299 CB ASP C 21 2.079 4.187 8.879 1.00 0.00 C ATOM 300 CG ASP C 21 3.121 4.945 9.699 1.00 0.00 C ATOM 301 OD1 ASP C 21 2.809 6.081 10.121 1.00 0.00 O ATOM 302 OD2 ASP C 21 4.203 4.392 10.011 1.00 0.00 O ATOM 0 H ASP C 21 0.179 3.971 7.235 1.00 0.00 H new ATOM 0 HA ASP C 21 2.492 5.684 7.405 1.00 0.00 H new ATOM 0 HB2 ASP C 21 1.081 4.369 9.278 1.00 0.00 H new ATOM 0 HB3 ASP C 21 2.257 3.114 8.944 1.00 0.00 H new ATOM 307 N LEU C 22 2.750 2.826 5.856 1.00 0.00 N ATOM 308 CA LEU C 22 3.545 1.922 5.006 1.00 0.00 C ATOM 309 C LEU C 22 4.377 2.728 4.002 1.00 0.00 C ATOM 310 O LEU C 22 5.393 2.261 3.485 1.00 0.00 O ATOM 311 CB LEU C 22 2.596 0.933 4.296 1.00 0.00 C ATOM 312 CG LEU C 22 3.211 0.016 3.223 1.00 0.00 C ATOM 313 CD1 LEU C 22 4.255 -0.934 3.805 1.00 0.00 C ATOM 314 CD2 LEU C 22 2.109 -0.832 2.576 1.00 0.00 C ATOM 0 H LEU C 22 1.754 2.614 5.795 1.00 0.00 H new ATOM 0 HA LEU C 22 4.243 1.353 5.620 1.00 0.00 H new ATOM 0 HB2 LEU C 22 2.135 0.302 5.056 1.00 0.00 H new ATOM 0 HB3 LEU C 22 1.795 1.508 3.831 1.00 0.00 H new ATOM 0 HG LEU C 22 3.695 0.662 2.491 1.00 0.00 H new ATOM 0 HD11 LEU C 22 4.660 -1.560 3.010 1.00 0.00 H new ATOM 0 HD12 LEU C 22 5.061 -0.356 4.258 1.00 0.00 H new ATOM 0 HD13 LEU C 22 3.791 -1.565 4.563 1.00 0.00 H new ATOM 0 HD21 LEU C 22 2.547 -1.480 1.817 1.00 0.00 H new ATOM 0 HD22 LEU C 22 1.624 -1.442 3.338 1.00 0.00 H new ATOM 0 HD23 LEU C 22 1.371 -0.177 2.112 1.00 0.00 H new ATOM 326 N GLN C 23 3.972 3.973 3.762 1.00 0.00 N ATOM 327 CA GLN C 23 4.636 4.906 2.882 1.00 0.00 C ATOM 328 C GLN C 23 6.099 5.093 3.339 1.00 0.00 C ATOM 329 O GLN C 23 6.998 5.263 2.513 1.00 0.00 O ATOM 330 CB GLN C 23 3.803 6.204 2.891 1.00 0.00 C ATOM 331 CG GLN C 23 4.147 7.173 4.034 1.00 0.00 C ATOM 332 CD GLN C 23 3.223 8.384 4.128 1.00 0.00 C ATOM 333 OE1 GLN C 23 3.002 8.889 5.227 1.00 0.00 O ATOM 334 NE2 GLN C 23 2.805 8.971 3.019 1.00 0.00 N ATOM 0 H GLN C 23 3.138 4.366 4.197 1.00 0.00 H new ATOM 0 HA GLN C 23 4.695 4.549 1.854 1.00 0.00 H new ATOM 0 HB2 GLN C 23 3.944 6.718 1.940 1.00 0.00 H new ATOM 0 HB3 GLN C 23 2.747 5.943 2.958 1.00 0.00 H new ATOM 0 HG2 GLN C 23 4.112 6.630 4.978 1.00 0.00 H new ATOM 0 HG3 GLN C 23 5.172 7.521 3.904 1.00 0.00 H new ATOM 0 HE21 GLN C 23 2.994 8.543 2.113 1.00 0.00 H new ATOM 0 HE22 GLN C 23 2.293 9.852 3.070 1.00 0.00 H new ATOM 343 N GLN C 24 6.358 5.031 4.655 1.00 0.00 N ATOM 344 CA GLN C 24 7.683 5.182 5.242 1.00 0.00 C ATOM 345 C GLN C 24 8.577 3.973 4.972 1.00 0.00 C ATOM 346 O GLN C 24 9.798 4.132 4.961 1.00 0.00 O ATOM 347 CB GLN C 24 7.581 5.467 6.752 1.00 0.00 C ATOM 348 CG GLN C 24 7.527 6.972 7.047 1.00 0.00 C ATOM 349 CD GLN C 24 8.871 7.633 6.763 1.00 0.00 C ATOM 350 OE1 GLN C 24 9.115 8.152 5.673 1.00 0.00 O ATOM 351 NE2 GLN C 24 9.841 7.438 7.642 1.00 0.00 N ATOM 0 H GLN C 24 5.629 4.870 5.350 1.00 0.00 H new ATOM 0 HA GLN C 24 8.154 6.038 4.759 1.00 0.00 H new ATOM 0 HB2 GLN C 24 6.689 4.986 7.153 1.00 0.00 H new ATOM 0 HB3 GLN C 24 8.437 5.027 7.263 1.00 0.00 H new ATOM 0 HG2 GLN C 24 6.753 7.438 6.438 1.00 0.00 H new ATOM 0 HG3 GLN C 24 7.252 7.132 8.089 1.00 0.00 H new ATOM 0 HE21 GLN C 24 9.634 7.008 8.543 1.00 0.00 H new ATOM 0 HE22 GLN C 24 10.796 7.718 7.418 1.00 0.00 H new ATOM 360 N TYR C 25 8.027 2.776 4.788 1.00 0.00 N ATOM 361 CA TYR C 25 8.790 1.572 4.497 1.00 0.00 C ATOM 362 C TYR C 25 9.299 1.705 3.062 1.00 0.00 C ATOM 363 O TYR C 25 10.503 1.595 2.819 1.00 0.00 O ATOM 364 CB TYR C 25 7.899 0.339 4.686 1.00 0.00 C ATOM 365 CG TYR C 25 8.433 -0.909 4.027 1.00 0.00 C ATOM 366 CD1 TYR C 25 9.512 -1.595 4.607 1.00 0.00 C ATOM 367 CD2 TYR C 25 7.888 -1.351 2.807 1.00 0.00 C ATOM 368 CE1 TYR C 25 10.070 -2.703 3.950 1.00 0.00 C ATOM 369 CE2 TYR C 25 8.438 -2.463 2.153 1.00 0.00 C ATOM 370 CZ TYR C 25 9.539 -3.137 2.716 1.00 0.00 C ATOM 371 OH TYR C 25 10.093 -4.200 2.077 1.00 0.00 O ATOM 0 H TYR C 25 7.021 2.616 4.838 1.00 0.00 H new ATOM 0 HA TYR C 25 9.637 1.451 5.172 1.00 0.00 H new ATOM 0 HB2 TYR C 25 7.777 0.151 5.753 1.00 0.00 H new ATOM 0 HB3 TYR C 25 6.908 0.554 4.285 1.00 0.00 H new ATOM 0 HD1 TYR C 25 9.912 -1.271 5.557 1.00 0.00 H new ATOM 0 HD2 TYR C 25 7.045 -0.833 2.374 1.00 0.00 H new ATOM 0 HE1 TYR C 25 10.907 -3.225 4.390 1.00 0.00 H new ATOM 0 HE2 TYR C 25 8.017 -2.802 1.218 1.00 0.00 H new ATOM 0 HH TYR C 25 11.020 -4.314 2.375 1.00 0.00 H new ATOM 381 N LEU C 26 8.404 2.060 2.130 1.00 0.00 N ATOM 382 CA LEU C 26 8.744 2.248 0.720 1.00 0.00 C ATOM 383 C LEU C 26 9.772 3.374 0.572 1.00 0.00 C ATOM 384 O LEU C 26 10.684 3.267 -0.258 1.00 0.00 O ATOM 385 CB LEU C 26 7.485 2.536 -0.109 1.00 0.00 C ATOM 386 CG LEU C 26 6.513 1.346 -0.216 1.00 0.00 C ATOM 387 CD1 LEU C 26 5.260 1.787 -0.969 1.00 0.00 C ATOM 388 CD2 LEU C 26 7.130 0.144 -0.944 1.00 0.00 C ATOM 0 H LEU C 26 7.419 2.225 2.338 1.00 0.00 H new ATOM 0 HA LEU C 26 9.187 1.327 0.340 1.00 0.00 H new ATOM 0 HB2 LEU C 26 6.958 3.382 0.333 1.00 0.00 H new ATOM 0 HB3 LEU C 26 7.786 2.836 -1.113 1.00 0.00 H new ATOM 0 HG LEU C 26 6.273 1.031 0.800 1.00 0.00 H new ATOM 0 HD11 LEU C 26 4.569 0.948 -1.048 1.00 0.00 H new ATOM 0 HD12 LEU C 26 4.780 2.604 -0.430 1.00 0.00 H new ATOM 0 HD13 LEU C 26 5.536 2.125 -1.968 1.00 0.00 H new ATOM 0 HD21 LEU C 26 6.402 -0.666 -0.991 1.00 0.00 H new ATOM 0 HD22 LEU C 26 7.413 0.437 -1.955 1.00 0.00 H new ATOM 0 HD23 LEU C 26 8.014 -0.194 -0.404 1.00 0.00 H new ATOM 400 N ASN C 27 9.721 4.384 1.453 1.00 0.00 N ATOM 401 CA ASN C 27 10.654 5.493 1.447 1.00 0.00 C ATOM 402 C ASN C 27 12.065 4.978 1.739 1.00 0.00 C ATOM 403 O ASN C 27 13.003 5.532 1.186 1.00 0.00 O ATOM 404 CB ASN C 27 10.267 6.568 2.473 1.00 0.00 C ATOM 405 CG ASN C 27 9.225 7.565 1.982 1.00 0.00 C ATOM 406 OD1 ASN C 27 9.176 7.895 0.800 1.00 0.00 O ATOM 407 ND2 ASN C 27 8.407 8.104 2.874 1.00 0.00 N ATOM 0 H ASN C 27 9.020 4.444 2.192 1.00 0.00 H new ATOM 0 HA ASN C 27 10.624 5.953 0.459 1.00 0.00 H new ATOM 0 HB2 ASN C 27 9.887 6.077 3.369 1.00 0.00 H new ATOM 0 HB3 ASN C 27 11.164 7.114 2.764 1.00 0.00 H new ATOM 0 HD21 ASN C 27 7.724 8.804 2.583 1.00 0.00 H new ATOM 0 HD22 ASN C 27 8.460 7.819 3.852 1.00 0.00 H new ATOM 414 N VAL C 28 12.263 3.940 2.560 1.00 0.00 N ATOM 415 CA VAL C 28 13.599 3.399 2.840 1.00 0.00 C ATOM 416 C VAL C 28 14.078 2.610 1.624 1.00 0.00 C ATOM 417 O VAL C 28 15.168 2.861 1.097 1.00 0.00 O ATOM 418 CB VAL C 28 13.575 2.494 4.088 1.00 0.00 C ATOM 419 CG1 VAL C 28 14.929 1.838 4.385 1.00 0.00 C ATOM 420 CG2 VAL C 28 13.162 3.296 5.316 1.00 0.00 C ATOM 0 H VAL C 28 11.509 3.454 3.046 1.00 0.00 H new ATOM 0 HA VAL C 28 14.284 4.223 3.039 1.00 0.00 H new ATOM 0 HB VAL C 28 12.854 1.706 3.870 1.00 0.00 H new ATOM 0 HG11 VAL C 28 14.844 1.215 5.275 1.00 0.00 H new ATOM 0 HG12 VAL C 28 15.228 1.221 3.537 1.00 0.00 H new ATOM 0 HG13 VAL C 28 15.679 2.611 4.554 1.00 0.00 H new ATOM 0 HG21 VAL C 28 13.150 2.644 6.189 1.00 0.00 H new ATOM 0 HG22 VAL C 28 13.874 4.106 5.478 1.00 0.00 H new ATOM 0 HG23 VAL C 28 12.167 3.713 5.160 1.00 0.00 H new ATOM 430 N VAL C 29 13.231 1.691 1.153 1.00 0.00 N ATOM 431 CA VAL C 29 13.474 0.815 0.016 1.00 0.00 C ATOM 432 C VAL C 29 13.967 1.608 -1.199 1.00 0.00 C ATOM 433 O VAL C 29 14.943 1.210 -1.835 1.00 0.00 O ATOM 434 CB VAL C 29 12.177 0.023 -0.257 1.00 0.00 C ATOM 435 CG1 VAL C 29 12.205 -0.775 -1.565 1.00 0.00 C ATOM 436 CG2 VAL C 29 11.878 -0.956 0.893 1.00 0.00 C ATOM 0 H VAL C 29 12.317 1.534 1.577 1.00 0.00 H new ATOM 0 HA VAL C 29 14.273 0.108 0.236 1.00 0.00 H new ATOM 0 HB VAL C 29 11.397 0.779 -0.340 1.00 0.00 H new ATOM 0 HG11 VAL C 29 11.260 -1.305 -1.688 1.00 0.00 H new ATOM 0 HG12 VAL C 29 12.351 -0.094 -2.404 1.00 0.00 H new ATOM 0 HG13 VAL C 29 13.023 -1.494 -1.535 1.00 0.00 H new ATOM 0 HG21 VAL C 29 10.960 -1.502 0.677 1.00 0.00 H new ATOM 0 HG22 VAL C 29 12.703 -1.661 0.995 1.00 0.00 H new ATOM 0 HG23 VAL C 29 11.759 -0.400 1.823 1.00 0.00 H new ATOM 446 N THR C 30 13.400 2.790 -1.434 1.00 0.00 N ATOM 447 CA THR C 30 13.746 3.646 -2.562 1.00 0.00 C ATOM 448 C THR C 30 14.518 4.900 -2.179 1.00 0.00 C ATOM 449 O THR C 30 14.795 5.723 -3.047 1.00 0.00 O ATOM 450 CB THR C 30 12.436 4.076 -3.240 1.00 0.00 C ATOM 451 OG1 THR C 30 11.636 4.808 -2.326 1.00 0.00 O ATOM 452 CG2 THR C 30 11.625 2.895 -3.768 1.00 0.00 C ATOM 0 H THR C 30 12.675 3.184 -0.834 1.00 0.00 H new ATOM 0 HA THR C 30 14.398 3.067 -3.216 1.00 0.00 H new ATOM 0 HB THR C 30 12.716 4.695 -4.093 1.00 0.00 H new ATOM 0 HG1 THR C 30 11.246 4.195 -1.669 1.00 0.00 H new ATOM 0 HG21 THR C 30 10.711 3.261 -4.236 1.00 0.00 H new ATOM 0 HG22 THR C 30 12.215 2.348 -4.503 1.00 0.00 H new ATOM 0 HG23 THR C 30 11.369 2.231 -2.942 1.00 0.00 H new ATOM 460 N ARG C 31 14.873 5.070 -0.905 1.00 0.00 N ATOM 461 CA ARG C 31 15.550 6.266 -0.393 1.00 0.00 C ATOM 462 C ARG C 31 14.775 7.508 -0.870 1.00 0.00 C ATOM 463 O ARG C 31 15.351 8.478 -1.363 1.00 0.00 O ATOM 464 CB ARG C 31 17.047 6.240 -0.721 1.00 0.00 C ATOM 465 CG ARG C 31 17.820 7.358 -0.001 1.00 0.00 C ATOM 466 CD ARG C 31 19.246 6.933 0.352 1.00 0.00 C ATOM 467 NE ARG C 31 19.264 5.957 1.458 1.00 0.00 N ATOM 468 CZ ARG C 31 20.316 5.231 1.851 1.00 0.00 C ATOM 469 NH1 ARG C 31 21.485 5.325 1.218 1.00 0.00 N ATOM 470 NH2 ARG C 31 20.215 4.439 2.912 1.00 0.00 N ATOM 0 H ARG C 31 14.696 4.369 -0.186 1.00 0.00 H new ATOM 0 HA ARG C 31 15.535 6.298 0.696 1.00 0.00 H new ATOM 0 HB2 ARG C 31 17.462 5.273 -0.438 1.00 0.00 H new ATOM 0 HB3 ARG C 31 17.183 6.342 -1.798 1.00 0.00 H new ATOM 0 HG2 ARG C 31 17.852 8.243 -0.636 1.00 0.00 H new ATOM 0 HG3 ARG C 31 17.289 7.638 0.909 1.00 0.00 H new ATOM 0 HD2 ARG C 31 19.724 6.498 -0.526 1.00 0.00 H new ATOM 0 HD3 ARG C 31 19.829 7.811 0.631 1.00 0.00 H new ATOM 0 HE ARG C 31 18.393 5.823 1.971 1.00 0.00 H new ATOM 0 HH11 ARG C 31 21.585 5.957 0.423 1.00 0.00 H new ATOM 0 HH12 ARG C 31 22.279 4.765 1.528 1.00 0.00 H new ATOM 0 HH21 ARG C 31 19.336 4.385 3.426 1.00 0.00 H new ATOM 0 HH22 ARG C 31 21.017 3.885 3.213 1.00 0.00 H new ATOM 484 N HIS C 32 13.441 7.405 -0.826 1.00 0.00 N ATOM 485 CA HIS C 32 12.453 8.398 -1.214 1.00 0.00 C ATOM 486 C HIS C 32 12.702 8.940 -2.631 1.00 0.00 C ATOM 487 O HIS C 32 12.366 10.088 -2.911 1.00 0.00 O ATOM 488 CB HIS C 32 12.406 9.460 -0.102 1.00 0.00 C ATOM 489 CG HIS C 32 11.330 10.514 -0.188 1.00 0.00 C ATOM 490 ND1 HIS C 32 11.357 11.709 0.489 1.00 0.00 N ATOM 491 CD2 HIS C 32 10.152 10.456 -0.880 1.00 0.00 C ATOM 492 CE1 HIS C 32 10.209 12.355 0.234 1.00 0.00 C ATOM 493 NE2 HIS C 32 9.438 11.628 -0.598 1.00 0.00 N ATOM 0 H HIS C 32 12.997 6.551 -0.489 1.00 0.00 H new ATOM 0 HA HIS C 32 11.460 7.957 -1.297 1.00 0.00 H new ATOM 0 HB2 HIS C 32 12.295 8.943 0.851 1.00 0.00 H new ATOM 0 HB3 HIS C 32 13.371 9.966 -0.080 1.00 0.00 H new ATOM 0 HD2 HIS C 32 9.830 9.653 -1.526 1.00 0.00 H new ATOM 0 HE1 HIS C 32 9.941 13.320 0.638 1.00 0.00 H new ATOM 0 HE2 HIS C 32 8.516 11.881 -0.953 1.00 0.00 H new ATOM 501 N ARG C 33 13.157 8.105 -3.574 1.00 0.00 N ATOM 502 CA ARG C 33 13.438 8.509 -4.958 1.00 0.00 C ATOM 503 C ARG C 33 12.266 9.207 -5.638 1.00 0.00 C ATOM 504 O ARG C 33 12.441 10.237 -6.287 1.00 0.00 O ATOM 505 CB ARG C 33 13.890 7.283 -5.767 1.00 0.00 C ATOM 506 CG ARG C 33 14.466 7.661 -7.137 1.00 0.00 C ATOM 507 CD ARG C 33 13.854 6.836 -8.278 1.00 0.00 C ATOM 508 NE ARG C 33 12.449 7.184 -8.558 1.00 0.00 N ATOM 509 CZ ARG C 33 12.031 8.274 -9.217 1.00 0.00 C ATOM 510 NH1 ARG C 33 12.886 9.239 -9.530 1.00 0.00 N ATOM 511 NH2 ARG C 33 10.749 8.387 -9.551 1.00 0.00 N ATOM 0 H ARG C 33 13.343 7.118 -3.395 1.00 0.00 H new ATOM 0 HA ARG C 33 14.239 9.248 -4.922 1.00 0.00 H new ATOM 0 HB2 ARG C 33 14.642 6.735 -5.199 1.00 0.00 H new ATOM 0 HB3 ARG C 33 13.043 6.611 -5.906 1.00 0.00 H new ATOM 0 HG2 ARG C 33 14.289 8.720 -7.323 1.00 0.00 H new ATOM 0 HG3 ARG C 33 15.546 7.516 -7.126 1.00 0.00 H new ATOM 0 HD2 ARG C 33 14.445 6.984 -9.182 1.00 0.00 H new ATOM 0 HD3 ARG C 33 13.916 5.777 -8.026 1.00 0.00 H new ATOM 0 HE ARG C 33 11.733 6.540 -8.221 1.00 0.00 H new ATOM 0 HH11 ARG C 33 13.868 9.154 -9.269 1.00 0.00 H new ATOM 0 HH12 ARG C 33 12.561 10.066 -10.032 1.00 0.00 H new ATOM 0 HH21 ARG C 33 10.091 7.647 -9.306 1.00 0.00 H new ATOM 0 HH22 ARG C 33 10.424 9.213 -10.052 1.00 0.00 H new ATOM 525 N TYR C 34 11.078 8.629 -5.512 1.00 0.00 N ATOM 526 CA TYR C 34 9.859 9.172 -6.100 1.00 0.00 C ATOM 527 C TYR C 34 9.407 10.456 -5.398 1.00 0.00 C ATOM 528 O TYR C 34 8.643 11.236 -5.954 1.00 0.00 O ATOM 529 CB TYR C 34 8.756 8.106 -6.097 1.00 0.00 C ATOM 530 CG TYR C 34 8.462 7.473 -4.751 1.00 0.00 C ATOM 531 CD1 TYR C 34 7.567 8.099 -3.864 1.00 0.00 C ATOM 532 CD2 TYR C 34 9.053 6.245 -4.399 1.00 0.00 C ATOM 533 CE1 TYR C 34 7.254 7.500 -2.633 1.00 0.00 C ATOM 534 CE2 TYR C 34 8.733 5.636 -3.173 1.00 0.00 C ATOM 535 CZ TYR C 34 7.834 6.259 -2.285 1.00 0.00 C ATOM 536 OH TYR C 34 7.543 5.657 -1.102 1.00 0.00 O ATOM 0 H TYR C 34 10.932 7.762 -4.994 1.00 0.00 H new ATOM 0 HA TYR C 34 10.072 9.446 -7.133 1.00 0.00 H new ATOM 0 HB2 TYR C 34 7.838 8.557 -6.475 1.00 0.00 H new ATOM 0 HB3 TYR C 34 9.035 7.318 -6.796 1.00 0.00 H new ATOM 0 HD1 TYR C 34 7.119 9.045 -4.131 1.00 0.00 H new ATOM 0 HD2 TYR C 34 9.753 5.770 -5.071 1.00 0.00 H new ATOM 0 HE1 TYR C 34 6.571 7.987 -1.953 1.00 0.00 H new ATOM 0 HE2 TYR C 34 9.178 4.687 -2.911 1.00 0.00 H new ATOM 0 HH TYR C 34 6.634 5.898 -0.827 1.00 0.00 H new HETATM 546 N NH2 C 35 9.975 10.803 -4.254 1.00 0.00 N TER 549 NH2 C 35 ATOM 550 N GLY B 1 -23.894 -5.628 4.210 1.00 0.00 N ATOM 551 CA GLY B 1 -23.227 -5.304 2.950 1.00 0.00 C ATOM 552 C GLY B 1 -22.481 -6.528 2.450 1.00 0.00 C ATOM 553 O GLY B 1 -22.911 -7.652 2.730 1.00 0.00 O ATOM 0 H1 GLY B 1 -24.899 -5.367 4.148 1.00 0.00 H new ATOM 0 H2 GLY B 1 -23.812 -6.648 4.394 1.00 0.00 H new ATOM 0 H3 GLY B 1 -23.446 -5.100 4.986 1.00 0.00 H new ATOM 0 HA2 GLY B 1 -23.959 -4.982 2.210 1.00 0.00 H new ATOM 0 HA3 GLY B 1 -22.534 -4.475 3.094 1.00 0.00 H new ATOM 557 N PRO B 2 -21.396 -6.346 1.682 1.00 0.00 N ATOM 558 CA PRO B 2 -20.608 -7.449 1.159 1.00 0.00 C ATOM 559 C PRO B 2 -20.028 -8.304 2.282 1.00 0.00 C ATOM 560 O PRO B 2 -19.892 -7.855 3.420 1.00 0.00 O ATOM 561 CB PRO B 2 -19.524 -6.811 0.281 1.00 0.00 C ATOM 562 CG PRO B 2 -19.405 -5.387 0.811 1.00 0.00 C ATOM 563 CD PRO B 2 -20.817 -5.075 1.291 1.00 0.00 C ATOM 0 HA PRO B 2 -21.217 -8.137 0.573 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -18.578 -7.347 0.363 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -19.806 -6.822 -0.772 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -18.680 -5.318 1.622 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -19.081 -4.694 0.034 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -20.799 -4.380 2.130 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -21.403 -4.606 0.501 1.00 0.00 H new ATOM 571 N SER B 3 -19.747 -9.564 1.950 1.00 0.00 N ATOM 572 CA SER B 3 -19.181 -10.524 2.875 1.00 0.00 C ATOM 573 C SER B 3 -17.689 -10.582 2.541 1.00 0.00 C ATOM 574 O SER B 3 -16.876 -10.131 3.346 1.00 0.00 O ATOM 575 CB SER B 3 -19.997 -11.822 2.807 1.00 0.00 C ATOM 576 OG SER B 3 -19.571 -12.827 3.706 1.00 0.00 O ATOM 0 H SER B 3 -19.911 -9.943 1.018 1.00 0.00 H new ATOM 0 HA SER B 3 -19.243 -10.265 3.932 1.00 0.00 H new ATOM 0 HB2 SER B 3 -21.043 -11.590 3.009 1.00 0.00 H new ATOM 0 HB3 SER B 3 -19.948 -12.215 1.792 1.00 0.00 H new ATOM 0 HG SER B 3 -20.139 -13.619 3.604 1.00 0.00 H new ATOM 582 N GLN B 4 -17.316 -11.074 1.355 1.00 0.00 N ATOM 583 CA GLN B 4 -15.929 -11.154 0.897 1.00 0.00 C ATOM 584 C GLN B 4 -15.866 -11.359 -0.630 1.00 0.00 C ATOM 585 O GLN B 4 -15.427 -12.418 -1.100 1.00 0.00 O ATOM 586 CB GLN B 4 -15.118 -12.192 1.694 1.00 0.00 C ATOM 587 CG GLN B 4 -15.748 -13.583 1.827 1.00 0.00 C ATOM 588 CD GLN B 4 -14.835 -14.519 2.602 1.00 0.00 C ATOM 589 OE1 GLN B 4 -15.102 -14.828 3.763 1.00 0.00 O ATOM 590 NE2 GLN B 4 -13.714 -14.904 2.023 1.00 0.00 N ATOM 0 H GLN B 4 -17.985 -11.434 0.674 1.00 0.00 H new ATOM 0 HA GLN B 4 -15.446 -10.198 1.100 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -14.142 -12.301 1.221 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -14.945 -11.797 2.695 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -16.710 -13.504 2.334 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -15.942 -13.995 0.837 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -13.519 -14.633 1.059 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -13.043 -15.473 2.539 1.00 0.00 H new ATOM 599 N PRO B 5 -16.331 -10.386 -1.436 1.00 0.00 N ATOM 600 CA PRO B 5 -16.299 -10.484 -2.890 1.00 0.00 C ATOM 601 C PRO B 5 -14.856 -10.429 -3.401 1.00 0.00 C ATOM 602 O PRO B 5 -13.915 -10.168 -2.643 1.00 0.00 O ATOM 603 CB PRO B 5 -17.130 -9.304 -3.401 1.00 0.00 C ATOM 604 CG PRO B 5 -16.930 -8.262 -2.308 1.00 0.00 C ATOM 605 CD PRO B 5 -16.876 -9.100 -1.034 1.00 0.00 C ATOM 0 HA PRO B 5 -16.707 -11.429 -3.247 1.00 0.00 H new ATOM 0 HB2 PRO B 5 -16.778 -8.949 -4.369 1.00 0.00 H new ATOM 0 HB3 PRO B 5 -18.180 -9.569 -3.521 1.00 0.00 H new ATOM 0 HG2 PRO B 5 -16.011 -7.694 -2.456 1.00 0.00 H new ATOM 0 HG3 PRO B 5 -17.749 -7.543 -2.283 1.00 0.00 H new ATOM 0 HD2 PRO B 5 -16.248 -8.626 -0.279 1.00 0.00 H new ATOM 0 HD3 PRO B 5 -17.868 -9.214 -0.597 1.00 0.00 H new ATOM 613 N THR B 6 -14.663 -10.762 -4.672 1.00 0.00 N ATOM 614 CA THR B 6 -13.340 -10.739 -5.266 1.00 0.00 C ATOM 615 C THR B 6 -12.915 -9.281 -5.452 1.00 0.00 C ATOM 616 O THR B 6 -13.752 -8.419 -5.733 1.00 0.00 O ATOM 617 CB THR B 6 -13.386 -11.559 -6.564 1.00 0.00 C ATOM 618 OG1 THR B 6 -12.111 -12.036 -6.927 1.00 0.00 O ATOM 619 CG2 THR B 6 -14.029 -10.874 -7.772 1.00 0.00 C ATOM 0 H THR B 6 -15.407 -11.050 -5.307 1.00 0.00 H new ATOM 0 HA THR B 6 -12.583 -11.199 -4.631 1.00 0.00 H new ATOM 0 HB THR B 6 -14.048 -12.385 -6.304 1.00 0.00 H new ATOM 0 HG1 THR B 6 -12.179 -12.554 -7.756 1.00 0.00 H new ATOM 0 HG21 THR B 6 -14.004 -11.548 -8.628 1.00 0.00 H new ATOM 0 HG22 THR B 6 -15.063 -10.621 -7.539 1.00 0.00 H new ATOM 0 HG23 THR B 6 -13.478 -9.964 -8.010 1.00 0.00 H new ATOM 627 N TYR B 7 -11.630 -9.006 -5.262 1.00 0.00 N ATOM 628 CA TYR B 7 -11.008 -7.700 -5.407 1.00 0.00 C ATOM 629 C TYR B 7 -9.547 -7.966 -5.769 1.00 0.00 C ATOM 630 O TYR B 7 -9.005 -8.981 -5.334 1.00 0.00 O ATOM 631 CB TYR B 7 -11.073 -6.911 -4.090 1.00 0.00 C ATOM 632 CG TYR B 7 -12.384 -6.198 -3.820 1.00 0.00 C ATOM 633 CD1 TYR B 7 -12.813 -5.161 -4.673 1.00 0.00 C ATOM 634 CD2 TYR B 7 -13.148 -6.529 -2.685 1.00 0.00 C ATOM 635 CE1 TYR B 7 -13.999 -4.460 -4.401 1.00 0.00 C ATOM 636 CE2 TYR B 7 -14.318 -5.810 -2.388 1.00 0.00 C ATOM 637 CZ TYR B 7 -14.754 -4.781 -3.251 1.00 0.00 C ATOM 638 OH TYR B 7 -15.873 -4.075 -2.937 1.00 0.00 O ATOM 0 H TYR B 7 -10.962 -9.726 -4.989 1.00 0.00 H new ATOM 0 HA TYR B 7 -11.521 -7.110 -6.167 1.00 0.00 H new ATOM 0 HB2 TYR B 7 -10.876 -7.597 -3.266 1.00 0.00 H new ATOM 0 HB3 TYR B 7 -10.271 -6.173 -4.089 1.00 0.00 H new ATOM 0 HD1 TYR B 7 -12.225 -4.904 -5.542 1.00 0.00 H new ATOM 0 HD2 TYR B 7 -12.834 -7.337 -2.041 1.00 0.00 H new ATOM 0 HE1 TYR B 7 -14.332 -3.679 -5.068 1.00 0.00 H new ATOM 0 HE2 TYR B 7 -14.884 -6.045 -1.499 1.00 0.00 H new ATOM 0 HH TYR B 7 -16.266 -4.434 -2.114 1.00 0.00 H new ATOM 648 N PRO B 8 -8.868 -7.062 -6.494 1.00 0.00 N ATOM 649 CA PRO B 8 -7.467 -7.263 -6.840 1.00 0.00 C ATOM 650 C PRO B 8 -6.575 -7.156 -5.594 1.00 0.00 C ATOM 651 O PRO B 8 -5.531 -7.810 -5.533 1.00 0.00 O ATOM 652 CB PRO B 8 -7.143 -6.190 -7.882 1.00 0.00 C ATOM 653 CG PRO B 8 -8.148 -5.081 -7.574 1.00 0.00 C ATOM 654 CD PRO B 8 -9.379 -5.830 -7.073 1.00 0.00 C ATOM 0 HA PRO B 8 -7.282 -8.259 -7.243 1.00 0.00 H new ATOM 0 HB2 PRO B 8 -6.116 -5.838 -7.790 1.00 0.00 H new ATOM 0 HB3 PRO B 8 -7.261 -6.568 -8.898 1.00 0.00 H new ATOM 0 HG2 PRO B 8 -7.765 -4.393 -6.821 1.00 0.00 H new ATOM 0 HG3 PRO B 8 -8.374 -4.489 -8.461 1.00 0.00 H new ATOM 0 HD2 PRO B 8 -9.922 -5.243 -6.333 1.00 0.00 H new ATOM 0 HD3 PRO B 8 -10.073 -6.036 -7.888 1.00 0.00 H new ATOM 662 N GLY B 9 -7.024 -6.435 -4.560 1.00 0.00 N ATOM 663 CA GLY B 9 -6.289 -6.252 -3.320 1.00 0.00 C ATOM 664 C GLY B 9 -5.008 -5.466 -3.557 1.00 0.00 C ATOM 665 O GLY B 9 -4.866 -4.794 -4.583 1.00 0.00 O ATOM 0 H GLY B 9 -7.925 -5.957 -4.570 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -6.913 -5.727 -2.597 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -6.049 -7.224 -2.888 1.00 0.00 H new TER 669 GLY B 9 ATOM 670 N PRO D 11 7.027 -7.742 -8.158 1.00 0.00 N ATOM 671 CA PRO D 11 8.325 -7.202 -7.780 1.00 0.00 C ATOM 672 C PRO D 11 8.148 -5.855 -7.081 1.00 0.00 C ATOM 673 O PRO D 11 7.195 -5.122 -7.349 1.00 0.00 O ATOM 674 CB PRO D 11 9.134 -7.096 -9.075 1.00 0.00 C ATOM 675 CG PRO D 11 8.061 -6.931 -10.144 1.00 0.00 C ATOM 676 CD PRO D 11 6.890 -7.754 -9.606 1.00 0.00 C ATOM 0 HA PRO D 11 8.851 -7.839 -7.068 1.00 0.00 H new ATOM 0 HB2 PRO D 11 9.816 -6.246 -9.055 1.00 0.00 H new ATOM 0 HB3 PRO D 11 9.739 -7.987 -9.246 1.00 0.00 H new ATOM 0 HG2 PRO D 11 7.787 -5.885 -10.279 1.00 0.00 H new ATOM 0 HG3 PRO D 11 8.399 -7.300 -11.112 1.00 0.00 H new ATOM 0 HD2 PRO D 11 5.937 -7.323 -9.912 1.00 0.00 H new ATOM 0 HD3 PRO D 11 6.918 -8.773 -9.993 1.00 0.00 H new ATOM 684 N VAL D 12 9.126 -5.497 -6.251 1.00 0.00 N ATOM 685 CA VAL D 12 9.125 -4.264 -5.481 1.00 0.00 C ATOM 686 C VAL D 12 8.999 -3.014 -6.360 1.00 0.00 C ATOM 687 O VAL D 12 8.230 -2.126 -6.004 1.00 0.00 O ATOM 688 CB VAL D 12 10.334 -4.275 -4.524 1.00 0.00 C ATOM 689 CG1 VAL D 12 11.687 -4.369 -5.237 1.00 0.00 C ATOM 690 CG2 VAL D 12 10.361 -3.062 -3.594 1.00 0.00 C ATOM 0 H VAL D 12 9.955 -6.070 -6.095 1.00 0.00 H new ATOM 0 HA VAL D 12 8.227 -4.213 -4.865 1.00 0.00 H new ATOM 0 HB VAL D 12 10.191 -5.183 -3.938 1.00 0.00 H new ATOM 0 HG11 VAL D 12 12.488 -4.371 -4.498 1.00 0.00 H new ATOM 0 HG12 VAL D 12 11.728 -5.289 -5.820 1.00 0.00 H new ATOM 0 HG13 VAL D 12 11.809 -3.513 -5.901 1.00 0.00 H new ATOM 0 HG21 VAL D 12 11.233 -3.122 -2.943 1.00 0.00 H new ATOM 0 HG22 VAL D 12 10.414 -2.149 -4.188 1.00 0.00 H new ATOM 0 HG23 VAL D 12 9.455 -3.048 -2.987 1.00 0.00 H new ATOM 700 N GLU D 13 9.646 -2.968 -7.530 1.00 0.00 N ATOM 701 CA GLU D 13 9.600 -1.835 -8.447 1.00 0.00 C ATOM 702 C GLU D 13 8.172 -1.525 -8.865 1.00 0.00 C ATOM 703 O GLU D 13 7.724 -0.375 -8.806 1.00 0.00 O ATOM 704 CB GLU D 13 10.414 -2.180 -9.700 1.00 0.00 C ATOM 705 CG GLU D 13 11.856 -1.715 -9.579 1.00 0.00 C ATOM 706 CD GLU D 13 12.590 -2.448 -8.457 1.00 0.00 C ATOM 707 OE1 GLU D 13 12.727 -3.696 -8.542 1.00 0.00 O ATOM 708 OE2 GLU D 13 12.927 -1.807 -7.435 1.00 0.00 O ATOM 0 H GLU D 13 10.227 -3.735 -7.868 1.00 0.00 H new ATOM 0 HA GLU D 13 10.012 -0.962 -7.940 1.00 0.00 H new ATOM 0 HB2 GLU D 13 10.392 -3.257 -9.863 1.00 0.00 H new ATOM 0 HB3 GLU D 13 9.954 -1.716 -10.572 1.00 0.00 H new ATOM 0 HG2 GLU D 13 12.374 -1.882 -10.524 1.00 0.00 H new ATOM 0 HG3 GLU D 13 11.878 -0.642 -9.389 1.00 0.00 H new ATOM 715 N ASP D 14 7.498 -2.576 -9.319 1.00 0.00 N ATOM 716 CA ASP D 14 6.131 -2.540 -9.791 1.00 0.00 C ATOM 717 C ASP D 14 5.209 -2.223 -8.624 1.00 0.00 C ATOM 718 O ASP D 14 4.301 -1.418 -8.786 1.00 0.00 O ATOM 719 CB ASP D 14 5.831 -3.879 -10.464 1.00 0.00 C ATOM 720 CG ASP D 14 4.569 -3.875 -11.320 1.00 0.00 C ATOM 721 OD1 ASP D 14 4.526 -3.059 -12.267 1.00 0.00 O ATOM 722 OD2 ASP D 14 4.054 -5.006 -11.491 1.00 0.00 O ATOM 0 H ASP D 14 7.910 -3.508 -9.367 1.00 0.00 H new ATOM 0 HA ASP D 14 5.970 -1.756 -10.531 1.00 0.00 H new ATOM 0 HB2 ASP D 14 6.680 -4.158 -11.088 1.00 0.00 H new ATOM 0 HB3 ASP D 14 5.734 -4.646 -9.696 1.00 0.00 H new ATOM 727 N LEU D 15 5.498 -2.749 -7.424 1.00 0.00 N ATOM 728 CA LEU D 15 4.696 -2.490 -6.235 1.00 0.00 C ATOM 729 C LEU D 15 4.788 -1.019 -5.842 1.00 0.00 C ATOM 730 O LEU D 15 3.781 -0.484 -5.412 1.00 0.00 O ATOM 731 CB LEU D 15 5.086 -3.382 -5.048 1.00 0.00 C ATOM 732 CG LEU D 15 3.920 -3.461 -4.032 1.00 0.00 C ATOM 733 CD1 LEU D 15 2.944 -4.583 -4.403 1.00 0.00 C ATOM 734 CD2 LEU D 15 4.443 -3.718 -2.623 1.00 0.00 C ATOM 0 H LEU D 15 6.295 -3.364 -7.258 1.00 0.00 H new ATOM 0 HA LEU D 15 3.665 -2.735 -6.491 1.00 0.00 H new ATOM 0 HB2 LEU D 15 5.338 -4.382 -5.402 1.00 0.00 H new ATOM 0 HB3 LEU D 15 5.976 -2.983 -4.561 1.00 0.00 H new ATOM 0 HG LEU D 15 3.402 -2.502 -4.061 1.00 0.00 H new ATOM 0 HD11 LEU D 15 2.135 -4.617 -3.674 1.00 0.00 H new ATOM 0 HD12 LEU D 15 2.532 -4.394 -5.394 1.00 0.00 H new ATOM 0 HD13 LEU D 15 3.471 -5.537 -4.405 1.00 0.00 H new ATOM 0 HD21 LEU D 15 3.605 -3.769 -1.928 1.00 0.00 H new ATOM 0 HD22 LEU D 15 4.989 -4.661 -2.604 1.00 0.00 H new ATOM 0 HD23 LEU D 15 5.110 -2.907 -2.329 1.00 0.00 H new ATOM 746 N ILE D 16 5.934 -0.346 -5.983 1.00 0.00 N ATOM 747 CA ILE D 16 6.066 1.073 -5.631 1.00 0.00 C ATOM 748 C ILE D 16 5.129 1.894 -6.529 1.00 0.00 C ATOM 749 O ILE D 16 4.422 2.781 -6.046 1.00 0.00 O ATOM 750 CB ILE D 16 7.542 1.515 -5.759 1.00 0.00 C ATOM 751 CG1 ILE D 16 8.440 0.852 -4.689 1.00 0.00 C ATOM 752 CG2 ILE D 16 7.718 3.044 -5.664 1.00 0.00 C ATOM 753 CD1 ILE D 16 9.857 0.595 -5.217 1.00 0.00 C ATOM 0 H ILE D 16 6.792 -0.765 -6.342 1.00 0.00 H new ATOM 0 HA ILE D 16 5.775 1.240 -4.594 1.00 0.00 H new ATOM 0 HB ILE D 16 7.850 1.186 -6.752 1.00 0.00 H new ATOM 0 HG12 ILE D 16 8.490 1.493 -3.809 1.00 0.00 H new ATOM 0 HG13 ILE D 16 7.993 -0.090 -4.372 1.00 0.00 H new ATOM 0 HG21 ILE D 16 8.774 3.295 -5.760 1.00 0.00 H new ATOM 0 HG22 ILE D 16 7.156 3.525 -6.464 1.00 0.00 H new ATOM 0 HG23 ILE D 16 7.348 3.394 -4.700 1.00 0.00 H new ATOM 0 HD11 ILE D 16 10.457 0.128 -4.436 1.00 0.00 H new ATOM 0 HD12 ILE D 16 9.809 -0.067 -6.082 1.00 0.00 H new ATOM 0 HD13 ILE D 16 10.313 1.541 -5.509 1.00 0.00 H new ATOM 765 N ARG D 17 5.175 1.644 -7.842 1.00 0.00 N ATOM 766 CA ARG D 17 4.349 2.328 -8.836 1.00 0.00 C ATOM 767 C ARG D 17 2.876 2.065 -8.541 1.00 0.00 C ATOM 768 O ARG D 17 2.070 2.997 -8.493 1.00 0.00 O ATOM 769 CB ARG D 17 4.761 1.809 -10.228 1.00 0.00 C ATOM 770 CG ARG D 17 3.896 2.368 -11.362 1.00 0.00 C ATOM 771 CD ARG D 17 4.233 1.705 -12.695 1.00 0.00 C ATOM 772 NE ARG D 17 3.474 2.371 -13.771 1.00 0.00 N ATOM 773 CZ ARG D 17 3.926 3.329 -14.588 1.00 0.00 C ATOM 774 NH1 ARG D 17 5.229 3.584 -14.673 1.00 0.00 N ATOM 775 NH2 ARG D 17 3.075 4.039 -15.321 1.00 0.00 N ATOM 0 H ARG D 17 5.800 0.947 -8.248 1.00 0.00 H new ATOM 0 HA ARG D 17 4.497 3.407 -8.803 1.00 0.00 H new ATOM 0 HB2 ARG D 17 5.803 2.071 -10.412 1.00 0.00 H new ATOM 0 HB3 ARG D 17 4.699 0.721 -10.236 1.00 0.00 H new ATOM 0 HG2 ARG D 17 2.843 2.210 -11.131 1.00 0.00 H new ATOM 0 HG3 ARG D 17 4.047 3.445 -11.440 1.00 0.00 H new ATOM 0 HD2 ARG D 17 5.303 1.776 -12.890 1.00 0.00 H new ATOM 0 HD3 ARG D 17 3.985 0.644 -12.661 1.00 0.00 H new ATOM 0 HE ARG D 17 2.508 2.071 -13.905 1.00 0.00 H new ATOM 0 HH11 ARG D 17 5.891 3.047 -14.113 1.00 0.00 H new ATOM 0 HH12 ARG D 17 5.566 4.316 -15.298 1.00 0.00 H new ATOM 0 HH21 ARG D 17 2.074 3.854 -15.262 1.00 0.00 H new ATOM 0 HH22 ARG D 17 3.423 4.769 -15.943 1.00 0.00 H new ATOM 789 N PHE D 18 2.543 0.786 -8.396 1.00 0.00 N ATOM 790 CA PHE D 18 1.223 0.267 -8.117 1.00 0.00 C ATOM 791 C PHE D 18 0.660 0.885 -6.845 1.00 0.00 C ATOM 792 O PHE D 18 -0.400 1.486 -6.919 1.00 0.00 O ATOM 793 CB PHE D 18 1.334 -1.257 -8.023 1.00 0.00 C ATOM 794 CG PHE D 18 0.180 -1.987 -7.382 1.00 0.00 C ATOM 795 CD1 PHE D 18 -1.040 -2.120 -8.061 1.00 0.00 C ATOM 796 CD2 PHE D 18 0.361 -2.609 -6.134 1.00 0.00 C ATOM 797 CE1 PHE D 18 -2.061 -2.913 -7.518 1.00 0.00 C ATOM 798 CE2 PHE D 18 -0.656 -3.410 -5.597 1.00 0.00 C ATOM 799 CZ PHE D 18 -1.867 -3.567 -6.292 1.00 0.00 C ATOM 0 H PHE D 18 3.238 0.043 -8.477 1.00 0.00 H new ATOM 0 HA PHE D 18 0.526 0.528 -8.914 1.00 0.00 H new ATOM 0 HB2 PHE D 18 1.466 -1.650 -9.031 1.00 0.00 H new ATOM 0 HB3 PHE D 18 2.239 -1.497 -7.466 1.00 0.00 H new ATOM 0 HD1 PHE D 18 -1.193 -1.612 -9.002 1.00 0.00 H new ATOM 0 HD2 PHE D 18 1.283 -2.470 -5.590 1.00 0.00 H new ATOM 0 HE1 PHE D 18 -2.998 -3.020 -8.044 1.00 0.00 H new ATOM 0 HE2 PHE D 18 -0.509 -3.906 -4.649 1.00 0.00 H new ATOM 0 HZ PHE D 18 -2.648 -4.191 -5.883 1.00 0.00 H new ATOM 809 N TYR D 19 1.381 0.802 -5.725 1.00 0.00 N ATOM 810 CA TYR D 19 1.033 1.303 -4.399 1.00 0.00 C ATOM 811 C TYR D 19 0.479 2.721 -4.420 1.00 0.00 C ATOM 812 O TYR D 19 -0.485 3.002 -3.708 1.00 0.00 O ATOM 813 CB TYR D 19 2.265 1.232 -3.478 1.00 0.00 C ATOM 814 CG TYR D 19 2.118 1.993 -2.175 1.00 0.00 C ATOM 815 CD1 TYR D 19 2.493 3.348 -2.112 1.00 0.00 C ATOM 816 CD2 TYR D 19 1.586 1.359 -1.040 1.00 0.00 C ATOM 817 CE1 TYR D 19 2.298 4.089 -0.936 1.00 0.00 C ATOM 818 CE2 TYR D 19 1.402 2.095 0.147 1.00 0.00 C ATOM 819 CZ TYR D 19 1.738 3.468 0.199 1.00 0.00 C ATOM 820 OH TYR D 19 1.512 4.210 1.319 1.00 0.00 O ATOM 0 H TYR D 19 2.294 0.347 -5.725 1.00 0.00 H new ATOM 0 HA TYR D 19 0.237 0.664 -4.017 1.00 0.00 H new ATOM 0 HB2 TYR D 19 2.475 0.186 -3.252 1.00 0.00 H new ATOM 0 HB3 TYR D 19 3.129 1.621 -4.017 1.00 0.00 H new ATOM 0 HD1 TYR D 19 2.935 3.822 -2.976 1.00 0.00 H new ATOM 0 HD2 TYR D 19 1.320 0.313 -1.077 1.00 0.00 H new ATOM 0 HE1 TYR D 19 2.576 5.132 -0.901 1.00 0.00 H new ATOM 0 HE2 TYR D 19 1.002 1.607 1.024 1.00 0.00 H new ATOM 0 HH TYR D 19 1.273 3.617 2.062 1.00 0.00 H new ATOM 830 N ASN D 20 1.092 3.614 -5.195 1.00 0.00 N ATOM 831 CA ASN D 20 0.653 4.999 -5.276 1.00 0.00 C ATOM 832 C ASN D 20 -0.725 5.102 -5.908 1.00 0.00 C ATOM 833 O ASN D 20 -1.662 5.600 -5.293 1.00 0.00 O ATOM 834 CB ASN D 20 1.682 5.815 -6.078 1.00 0.00 C ATOM 835 CG ASN D 20 1.822 7.190 -5.460 1.00 0.00 C ATOM 836 OD1 ASN D 20 1.096 8.121 -5.802 1.00 0.00 O ATOM 837 ND2 ASN D 20 2.715 7.314 -4.496 1.00 0.00 N ATOM 0 H ASN D 20 1.900 3.397 -5.779 1.00 0.00 H new ATOM 0 HA ASN D 20 0.580 5.404 -4.267 1.00 0.00 H new ATOM 0 HB2 ASN D 20 2.645 5.305 -6.080 1.00 0.00 H new ATOM 0 HB3 ASN D 20 1.364 5.901 -7.117 1.00 0.00 H new ATOM 0 HD21 ASN D 20 2.819 8.204 -4.009 1.00 0.00 H new ATOM 0 HD22 ASN D 20 3.301 6.520 -4.238 1.00 0.00 H new ATOM 844 N ASP D 21 -0.873 4.528 -7.098 1.00 0.00 N ATOM 845 CA ASP D 21 -2.130 4.561 -7.841 1.00 0.00 C ATOM 846 C ASP D 21 -3.225 3.711 -7.181 1.00 0.00 C ATOM 847 O ASP D 21 -4.418 4.013 -7.291 1.00 0.00 O ATOM 848 CB ASP D 21 -1.840 4.112 -9.277 1.00 0.00 C ATOM 849 CG ASP D 21 -2.683 4.821 -10.332 1.00 0.00 C ATOM 850 OD1 ASP D 21 -3.311 5.864 -10.039 1.00 0.00 O ATOM 851 OD2 ASP D 21 -2.551 4.452 -11.519 1.00 0.00 O ATOM 0 H ASP D 21 -0.124 4.026 -7.576 1.00 0.00 H new ATOM 0 HA ASP D 21 -2.524 5.577 -7.843 1.00 0.00 H new ATOM 0 HB2 ASP D 21 -0.786 4.283 -9.494 1.00 0.00 H new ATOM 0 HB3 ASP D 21 -2.011 3.038 -9.352 1.00 0.00 H new ATOM 856 N LEU D 22 -2.803 2.711 -6.396 1.00 0.00 N ATOM 857 CA LEU D 22 -3.605 1.764 -5.624 1.00 0.00 C ATOM 858 C LEU D 22 -4.389 2.503 -4.543 1.00 0.00 C ATOM 859 O LEU D 22 -5.352 1.938 -4.028 1.00 0.00 O ATOM 860 CB LEU D 22 -2.673 0.703 -4.999 1.00 0.00 C ATOM 861 CG LEU D 22 -3.254 -0.251 -3.937 1.00 0.00 C ATOM 862 CD1 LEU D 22 -4.227 -1.236 -4.582 1.00 0.00 C ATOM 863 CD2 LEU D 22 -2.113 -1.025 -3.267 1.00 0.00 C ATOM 0 H LEU D 22 -1.806 2.532 -6.278 1.00 0.00 H new ATOM 0 HA LEU D 22 -4.320 1.266 -6.279 1.00 0.00 H new ATOM 0 HB2 LEU D 22 -2.274 0.093 -5.810 1.00 0.00 H new ATOM 0 HB3 LEU D 22 -1.830 1.226 -4.549 1.00 0.00 H new ATOM 0 HG LEU D 22 -3.790 0.336 -3.191 1.00 0.00 H new ATOM 0 HD11 LEU D 22 -4.629 -1.903 -3.819 1.00 0.00 H new ATOM 0 HD12 LEU D 22 -5.044 -0.687 -5.050 1.00 0.00 H new ATOM 0 HD13 LEU D 22 -3.704 -1.822 -5.337 1.00 0.00 H new ATOM 0 HD21 LEU D 22 -2.523 -1.700 -2.516 1.00 0.00 H new ATOM 0 HD22 LEU D 22 -1.575 -1.603 -4.018 1.00 0.00 H new ATOM 0 HD23 LEU D 22 -1.429 -0.324 -2.790 1.00 0.00 H new ATOM 875 N GLN D 23 -4.044 3.758 -4.227 1.00 0.00 N ATOM 876 CA GLN D 23 -4.752 4.545 -3.227 1.00 0.00 C ATOM 877 C GLN D 23 -6.250 4.592 -3.564 1.00 0.00 C ATOM 878 O GLN D 23 -7.089 4.559 -2.667 1.00 0.00 O ATOM 879 CB GLN D 23 -4.097 5.928 -3.093 1.00 0.00 C ATOM 880 CG GLN D 23 -4.470 6.965 -4.165 1.00 0.00 C ATOM 881 CD GLN D 23 -3.690 8.260 -3.953 1.00 0.00 C ATOM 882 OE1 GLN D 23 -2.938 8.700 -4.821 1.00 0.00 O ATOM 883 NE2 GLN D 23 -3.901 8.950 -2.841 1.00 0.00 N ATOM 0 H GLN D 23 -3.264 4.251 -4.662 1.00 0.00 H new ATOM 0 HA GLN D 23 -4.677 4.077 -2.245 1.00 0.00 H new ATOM 0 HB2 GLN D 23 -4.357 6.337 -2.117 1.00 0.00 H new ATOM 0 HB3 GLN D 23 -3.015 5.797 -3.106 1.00 0.00 H new ATOM 0 HG2 GLN D 23 -4.258 6.564 -5.156 1.00 0.00 H new ATOM 0 HG3 GLN D 23 -5.540 7.168 -4.126 1.00 0.00 H new ATOM 0 HE21 GLN D 23 -4.525 8.582 -2.123 1.00 0.00 H new ATOM 0 HE22 GLN D 23 -3.439 9.849 -2.703 1.00 0.00 H new ATOM 892 N GLN D 24 -6.588 4.527 -4.858 1.00 0.00 N ATOM 893 CA GLN D 24 -7.961 4.526 -5.345 1.00 0.00 C ATOM 894 C GLN D 24 -8.754 3.326 -4.821 1.00 0.00 C ATOM 895 O GLN D 24 -9.948 3.462 -4.570 1.00 0.00 O ATOM 896 CB GLN D 24 -7.982 4.542 -6.877 1.00 0.00 C ATOM 897 CG GLN D 24 -7.924 5.976 -7.403 1.00 0.00 C ATOM 898 CD GLN D 24 -9.278 6.671 -7.282 1.00 0.00 C ATOM 899 OE1 GLN D 24 -9.638 7.216 -6.238 1.00 0.00 O ATOM 900 NE2 GLN D 24 -10.100 6.563 -8.313 1.00 0.00 N ATOM 0 H GLN D 24 -5.896 4.473 -5.606 1.00 0.00 H new ATOM 0 HA GLN D 24 -8.441 5.429 -4.967 1.00 0.00 H new ATOM 0 HB2 GLN D 24 -7.136 3.973 -7.263 1.00 0.00 H new ATOM 0 HB3 GLN D 24 -8.887 4.053 -7.238 1.00 0.00 H new ATOM 0 HG2 GLN D 24 -7.174 6.539 -6.847 1.00 0.00 H new ATOM 0 HG3 GLN D 24 -7.609 5.970 -8.446 1.00 0.00 H new ATOM 0 HE21 GLN D 24 -9.786 6.109 -9.170 1.00 0.00 H new ATOM 0 HE22 GLN D 24 -11.048 6.934 -8.250 1.00 0.00 H new ATOM 909 N TYR D 25 -8.132 2.155 -4.660 1.00 0.00 N ATOM 910 CA TYR D 25 -8.815 0.974 -4.144 1.00 0.00 C ATOM 911 C TYR D 25 -9.301 1.297 -2.731 1.00 0.00 C ATOM 912 O TYR D 25 -10.478 1.115 -2.424 1.00 0.00 O ATOM 913 CB TYR D 25 -7.874 -0.242 -4.177 1.00 0.00 C ATOM 914 CG TYR D 25 -8.371 -1.486 -3.462 1.00 0.00 C ATOM 915 CD1 TYR D 25 -9.631 -2.041 -3.763 1.00 0.00 C ATOM 916 CD2 TYR D 25 -7.566 -2.083 -2.472 1.00 0.00 C ATOM 917 CE1 TYR D 25 -10.101 -3.155 -3.044 1.00 0.00 C ATOM 918 CE2 TYR D 25 -8.022 -3.203 -1.760 1.00 0.00 C ATOM 919 CZ TYR D 25 -9.304 -3.727 -2.026 1.00 0.00 C ATOM 920 OH TYR D 25 -9.769 -4.764 -1.280 1.00 0.00 O ATOM 0 H TYR D 25 -7.148 2.003 -4.883 1.00 0.00 H new ATOM 0 HA TYR D 25 -9.674 0.714 -4.763 1.00 0.00 H new ATOM 0 HB2 TYR D 25 -7.680 -0.498 -5.218 1.00 0.00 H new ATOM 0 HB3 TYR D 25 -6.920 0.049 -3.737 1.00 0.00 H new ATOM 0 HD1 TYR D 25 -10.237 -1.610 -4.547 1.00 0.00 H new ATOM 0 HD2 TYR D 25 -6.589 -1.675 -2.259 1.00 0.00 H new ATOM 0 HE1 TYR D 25 -11.071 -3.573 -3.270 1.00 0.00 H new ATOM 0 HE2 TYR D 25 -7.394 -3.662 -1.011 1.00 0.00 H new ATOM 0 HH TYR D 25 -9.087 -5.030 -0.629 1.00 0.00 H new ATOM 930 N LEU D 26 -8.419 1.849 -1.891 1.00 0.00 N ATOM 931 CA LEU D 26 -8.761 2.217 -0.522 1.00 0.00 C ATOM 932 C LEU D 26 -9.747 3.382 -0.512 1.00 0.00 C ATOM 933 O LEU D 26 -10.616 3.410 0.366 1.00 0.00 O ATOM 934 CB LEU D 26 -7.507 2.522 0.305 1.00 0.00 C ATOM 935 CG LEU D 26 -6.585 1.297 0.462 1.00 0.00 C ATOM 936 CD1 LEU D 26 -5.326 1.712 1.213 1.00 0.00 C ATOM 937 CD2 LEU D 26 -7.240 0.125 1.211 1.00 0.00 C ATOM 0 H LEU D 26 -7.452 2.051 -2.144 1.00 0.00 H new ATOM 0 HA LEU D 26 -9.249 1.364 -0.050 1.00 0.00 H new ATOM 0 HB2 LEU D 26 -6.952 3.331 -0.170 1.00 0.00 H new ATOM 0 HB3 LEU D 26 -7.805 2.876 1.292 1.00 0.00 H new ATOM 0 HG LEU D 26 -6.358 0.947 -0.545 1.00 0.00 H new ATOM 0 HD11 LEU D 26 -4.670 0.849 1.327 1.00 0.00 H new ATOM 0 HD12 LEU D 26 -4.808 2.490 0.653 1.00 0.00 H new ATOM 0 HD13 LEU D 26 -5.598 2.093 2.197 1.00 0.00 H new ATOM 0 HD21 LEU D 26 -6.533 -0.701 1.284 1.00 0.00 H new ATOM 0 HD22 LEU D 26 -7.526 0.447 2.212 1.00 0.00 H new ATOM 0 HD23 LEU D 26 -8.127 -0.203 0.669 1.00 0.00 H new ATOM 949 N ASN D 27 -9.666 4.309 -1.478 1.00 0.00 N ATOM 950 CA ASN D 27 -10.574 5.434 -1.586 1.00 0.00 C ATOM 951 C ASN D 27 -11.968 4.842 -1.766 1.00 0.00 C ATOM 952 O ASN D 27 -12.835 5.129 -0.953 1.00 0.00 O ATOM 953 CB ASN D 27 -10.250 6.350 -2.777 1.00 0.00 C ATOM 954 CG ASN D 27 -9.152 7.383 -2.554 1.00 0.00 C ATOM 955 OD1 ASN D 27 -8.900 7.823 -1.437 1.00 0.00 O ATOM 956 ND2 ASN D 27 -8.533 7.865 -3.621 1.00 0.00 N ATOM 0 H ASN D 27 -8.955 4.288 -2.209 1.00 0.00 H new ATOM 0 HA ASN D 27 -10.490 6.054 -0.693 1.00 0.00 H new ATOM 0 HB2 ASN D 27 -9.965 5.724 -3.622 1.00 0.00 H new ATOM 0 HB3 ASN D 27 -11.161 6.875 -3.063 1.00 0.00 H new ATOM 0 HD21 ASN D 27 -7.841 8.607 -3.517 1.00 0.00 H new ATOM 0 HD22 ASN D 27 -8.748 7.494 -4.546 1.00 0.00 H new ATOM 963 N VAL D 28 -12.166 3.919 -2.712 1.00 0.00 N ATOM 964 CA VAL D 28 -13.460 3.289 -2.952 1.00 0.00 C ATOM 965 C VAL D 28 -13.920 2.511 -1.712 1.00 0.00 C ATOM 966 O VAL D 28 -15.004 2.792 -1.195 1.00 0.00 O ATOM 967 CB VAL D 28 -13.396 2.375 -4.197 1.00 0.00 C ATOM 968 CG1 VAL D 28 -14.722 1.628 -4.427 1.00 0.00 C ATOM 969 CG2 VAL D 28 -13.079 3.136 -5.491 1.00 0.00 C ATOM 0 H VAL D 28 -11.428 3.589 -3.333 1.00 0.00 H new ATOM 0 HA VAL D 28 -14.196 4.069 -3.148 1.00 0.00 H new ATOM 0 HB VAL D 28 -12.588 1.676 -3.980 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -14.635 0.997 -5.311 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -14.946 1.008 -3.559 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -15.525 2.350 -4.574 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -13.049 2.436 -6.326 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -13.851 3.884 -5.672 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -12.112 3.629 -5.395 1.00 0.00 H new ATOM 979 N VAL D 29 -13.100 1.576 -1.219 1.00 0.00 N ATOM 980 CA VAL D 29 -13.375 0.711 -0.070 1.00 0.00 C ATOM 981 C VAL D 29 -13.778 1.469 1.194 1.00 0.00 C ATOM 982 O VAL D 29 -14.621 0.958 1.935 1.00 0.00 O ATOM 983 CB VAL D 29 -12.168 -0.226 0.154 1.00 0.00 C ATOM 984 CG1 VAL D 29 -12.197 -1.021 1.469 1.00 0.00 C ATOM 985 CG2 VAL D 29 -12.096 -1.251 -0.986 1.00 0.00 C ATOM 0 H VAL D 29 -12.184 1.395 -1.631 1.00 0.00 H new ATOM 0 HA VAL D 29 -14.255 0.112 -0.304 1.00 0.00 H new ATOM 0 HB VAL D 29 -11.304 0.437 0.191 1.00 0.00 H new ATOM 0 HG11 VAL D 29 -11.308 -1.649 1.534 1.00 0.00 H new ATOM 0 HG12 VAL D 29 -12.215 -0.330 2.312 1.00 0.00 H new ATOM 0 HG13 VAL D 29 -13.088 -1.649 1.495 1.00 0.00 H new ATOM 0 HG21 VAL D 29 -11.244 -1.912 -0.828 1.00 0.00 H new ATOM 0 HG22 VAL D 29 -13.013 -1.839 -1.005 1.00 0.00 H new ATOM 0 HG23 VAL D 29 -11.979 -0.730 -1.937 1.00 0.00 H new ATOM 995 N THR D 30 -13.317 2.704 1.395 1.00 0.00 N ATOM 996 CA THR D 30 -13.642 3.511 2.576 1.00 0.00 C ATOM 997 C THR D 30 -14.430 4.768 2.210 1.00 0.00 C ATOM 998 O THR D 30 -14.756 5.583 3.074 1.00 0.00 O ATOM 999 CB THR D 30 -12.335 3.901 3.290 1.00 0.00 C ATOM 1000 OG1 THR D 30 -11.539 4.761 2.491 1.00 0.00 O ATOM 1001 CG2 THR D 30 -11.490 2.686 3.671 1.00 0.00 C ATOM 0 H THR D 30 -12.700 3.179 0.736 1.00 0.00 H new ATOM 0 HA THR D 30 -14.272 2.914 3.235 1.00 0.00 H new ATOM 0 HB THR D 30 -12.645 4.417 4.199 1.00 0.00 H new ATOM 0 HG1 THR D 30 -11.086 4.237 1.798 1.00 0.00 H new ATOM 0 HG21 THR D 30 -10.580 3.018 4.171 1.00 0.00 H new ATOM 0 HG22 THR D 30 -12.059 2.043 4.342 1.00 0.00 H new ATOM 0 HG23 THR D 30 -11.227 2.129 2.772 1.00 0.00 H new ATOM 1009 N ARG D 31 -14.804 4.914 0.941 1.00 0.00 N ATOM 1010 CA ARG D 31 -15.492 6.079 0.403 1.00 0.00 C ATOM 1011 C ARG D 31 -14.735 7.342 0.845 1.00 0.00 C ATOM 1012 O ARG D 31 -15.319 8.281 1.386 1.00 0.00 O ATOM 1013 CB ARG D 31 -16.999 6.020 0.680 1.00 0.00 C ATOM 1014 CG ARG D 31 -17.740 6.981 -0.261 1.00 0.00 C ATOM 1015 CD ARG D 31 -19.233 6.674 -0.381 1.00 0.00 C ATOM 1016 NE ARG D 31 -19.487 5.442 -1.148 1.00 0.00 N ATOM 1017 CZ ARG D 31 -20.654 5.096 -1.704 1.00 0.00 C ATOM 1018 NH1 ARG D 31 -21.731 5.863 -1.557 1.00 0.00 N ATOM 1019 NH2 ARG D 31 -20.727 3.986 -2.425 1.00 0.00 N ATOM 0 H ARG D 31 -14.629 4.198 0.236 1.00 0.00 H new ATOM 0 HA ARG D 31 -15.469 6.101 -0.687 1.00 0.00 H new ATOM 0 HB2 ARG D 31 -17.365 5.003 0.537 1.00 0.00 H new ATOM 0 HB3 ARG D 31 -17.198 6.287 1.718 1.00 0.00 H new ATOM 0 HG2 ARG D 31 -17.613 8.002 0.099 1.00 0.00 H new ATOM 0 HG3 ARG D 31 -17.285 6.933 -1.250 1.00 0.00 H new ATOM 0 HD2 ARG D 31 -19.663 6.575 0.616 1.00 0.00 H new ATOM 0 HD3 ARG D 31 -19.737 7.511 -0.864 1.00 0.00 H new ATOM 0 HE ARG D 31 -18.706 4.797 -1.265 1.00 0.00 H new ATOM 0 HH11 ARG D 31 -21.673 6.726 -1.016 1.00 0.00 H new ATOM 0 HH12 ARG D 31 -22.615 5.589 -1.986 1.00 0.00 H new ATOM 0 HH21 ARG D 31 -19.898 3.405 -2.552 1.00 0.00 H new ATOM 0 HH22 ARG D 31 -21.612 3.713 -2.853 1.00 0.00 H new ATOM 1033 N HIS D 32 -13.402 7.281 0.728 1.00 0.00 N ATOM 1034 CA HIS D 32 -12.399 8.293 1.050 1.00 0.00 C ATOM 1035 C HIS D 32 -12.574 8.841 2.479 1.00 0.00 C ATOM 1036 O HIS D 32 -12.283 10.014 2.729 1.00 0.00 O ATOM 1037 CB HIS D 32 -12.447 9.356 -0.071 1.00 0.00 C ATOM 1038 CG HIS D 32 -11.235 10.226 -0.324 1.00 0.00 C ATOM 1039 ND1 HIS D 32 -11.032 10.916 -1.497 1.00 0.00 N ATOM 1040 CD2 HIS D 32 -10.177 10.510 0.501 1.00 0.00 C ATOM 1041 CE1 HIS D 32 -9.901 11.623 -1.379 1.00 0.00 C ATOM 1042 NE2 HIS D 32 -9.345 11.424 -0.167 1.00 0.00 N ATOM 0 H HIS D 32 -12.960 6.435 0.369 1.00 0.00 H new ATOM 0 HA HIS D 32 -11.395 7.869 1.072 1.00 0.00 H new ATOM 0 HB2 HIS D 32 -12.678 8.839 -1.002 1.00 0.00 H new ATOM 0 HB3 HIS D 32 -13.286 10.018 0.142 1.00 0.00 H new ATOM 0 HD2 HIS D 32 -10.013 10.104 1.488 1.00 0.00 H new ATOM 0 HE1 HIS D 32 -9.492 12.263 -2.147 1.00 0.00 H new ATOM 0 HE2 HIS D 32 -8.492 11.851 0.193 1.00 0.00 H new ATOM 1050 N ARG D 33 -12.971 8.013 3.462 1.00 0.00 N ATOM 1051 CA ARG D 33 -13.182 8.455 4.852 1.00 0.00 C ATOM 1052 C ARG D 33 -11.983 9.179 5.455 1.00 0.00 C ATOM 1053 O ARG D 33 -12.158 10.147 6.196 1.00 0.00 O ATOM 1054 CB ARG D 33 -13.571 7.284 5.779 1.00 0.00 C ATOM 1055 CG ARG D 33 -14.642 7.731 6.789 1.00 0.00 C ATOM 1056 CD ARG D 33 -14.800 6.772 7.979 1.00 0.00 C ATOM 1057 NE ARG D 33 -13.668 6.854 8.924 1.00 0.00 N ATOM 1058 CZ ARG D 33 -13.416 7.848 9.787 1.00 0.00 C ATOM 1059 NH1 ARG D 33 -14.239 8.890 9.883 1.00 0.00 N ATOM 1060 NH2 ARG D 33 -12.360 7.797 10.589 1.00 0.00 N ATOM 0 H ARG D 33 -13.154 7.020 3.315 1.00 0.00 H new ATOM 0 HA ARG D 33 -14.006 9.165 4.788 1.00 0.00 H new ATOM 0 HB2 ARG D 33 -13.948 6.451 5.185 1.00 0.00 H new ATOM 0 HB3 ARG D 33 -12.690 6.924 6.310 1.00 0.00 H new ATOM 0 HG2 ARG D 33 -14.386 8.722 7.163 1.00 0.00 H new ATOM 0 HG3 ARG D 33 -15.599 7.821 6.276 1.00 0.00 H new ATOM 0 HD2 ARG D 33 -15.726 7.001 8.506 1.00 0.00 H new ATOM 0 HD3 ARG D 33 -14.888 5.750 7.609 1.00 0.00 H new ATOM 0 HE ARG D 33 -13.011 6.074 8.919 1.00 0.00 H new ATOM 0 HH11 ARG D 33 -15.072 8.938 9.296 1.00 0.00 H new ATOM 0 HH12 ARG D 33 -14.037 9.640 10.544 1.00 0.00 H new ATOM 0 HH21 ARG D 33 -11.730 6.995 10.553 1.00 0.00 H new ATOM 0 HH22 ARG D 33 -12.178 8.559 11.242 1.00 0.00 H new ATOM 1074 N TYR D 34 -10.785 8.673 5.173 1.00 0.00 N ATOM 1075 CA TYR D 34 -9.526 9.212 5.663 1.00 0.00 C ATOM 1076 C TYR D 34 -9.137 10.511 4.958 1.00 0.00 C ATOM 1077 O TYR D 34 -8.142 11.132 5.315 1.00 0.00 O ATOM 1078 CB TYR D 34 -8.425 8.153 5.513 1.00 0.00 C ATOM 1079 CG TYR D 34 -8.099 7.747 4.085 1.00 0.00 C ATOM 1080 CD1 TYR D 34 -7.162 8.489 3.341 1.00 0.00 C ATOM 1081 CD2 TYR D 34 -8.674 6.591 3.521 1.00 0.00 C ATOM 1082 CE1 TYR D 34 -6.784 8.074 2.053 1.00 0.00 C ATOM 1083 CE2 TYR D 34 -8.300 6.170 2.232 1.00 0.00 C ATOM 1084 CZ TYR D 34 -7.350 6.908 1.492 1.00 0.00 C ATOM 1085 OH TYR D 34 -6.888 6.419 0.311 1.00 0.00 O ATOM 0 H TYR D 34 -10.664 7.852 4.579 1.00 0.00 H new ATOM 0 HA TYR D 34 -9.651 9.460 6.717 1.00 0.00 H new ATOM 0 HB2 TYR D 34 -7.516 8.530 5.982 1.00 0.00 H new ATOM 0 HB3 TYR D 34 -8.723 7.263 6.066 1.00 0.00 H new ATOM 0 HD1 TYR D 34 -6.730 9.384 3.764 1.00 0.00 H new ATOM 0 HD2 TYR D 34 -9.405 6.026 4.081 1.00 0.00 H new ATOM 0 HE1 TYR D 34 -6.060 8.647 1.492 1.00 0.00 H new ATOM 0 HE2 TYR D 34 -8.740 5.280 1.807 1.00 0.00 H new ATOM 0 HH TYR D 34 -7.443 6.758 -0.423 1.00 0.00 H new HETATM 1095 N NH2 D 35 -9.864 10.972 3.952 1.00 0.00 N TER 1098 NH2 D 35 HETATM 1099 N ZAB A 10 4.076 -4.983 2.116 1.00 0.00 N HETATM 1100 CA ZAB A 10 2.746 -4.424 2.245 1.00 0.00 C HETATM 1101 CB ZAB A 10 1.797 -5.481 2.765 1.00 0.00 C HETATM 1102 CG2 ZAB A 10 0.725 -5.932 1.972 1.00 0.00 C HETATM 1103 CD2 ZAB A 10 -0.192 -6.866 2.489 1.00 0.00 C HETATM 1104 CE ZAB A 10 -0.057 -7.330 3.809 1.00 0.00 C HETATM 1105 CD1 ZAB A 10 1.030 -6.897 4.588 1.00 0.00 C HETATM 1106 CG1 ZAB A 10 1.974 -6.003 4.060 1.00 0.00 C HETATM 1107 NG ZAB A 10 1.187 -7.336 5.888 1.00 0.00 N HETATM 1108 NI ZAB A 10 0.392 -7.336 6.909 1.00 0.00 N HETATM 1109 CI ZAB A 10 -0.904 -6.896 7.095 1.00 0.00 C HETATM 1110 CJ2 ZAB A 10 -1.129 -5.586 7.547 1.00 0.00 C HETATM 1111 CK2 ZAB A 10 -2.431 -5.185 7.890 1.00 0.00 C HETATM 1112 CL ZAB A 10 -3.503 -6.091 7.791 1.00 0.00 C HETATM 1113 CK1 ZAB A 10 -3.274 -7.413 7.351 1.00 0.00 C HETATM 1114 CJ1 ZAB A 10 -1.967 -7.806 6.995 1.00 0.00 C HETATM 1115 CM ZAB A 10 -4.365 -8.474 7.383 1.00 0.00 C HETATM 1116 C ZAB A 10 -5.812 -8.005 7.212 1.00 0.00 C HETATM 1117 O ZAB A 10 -6.270 -7.902 6.070 1.00 0.00 O HETATM 0 HM3 ZAB A 10 -4.152 -9.200 6.598 1.00 0.00 H new HETATM 0 HM2 ZAB A 10 -4.293 -9.002 8.334 1.00 0.00 H new HETATM 0 HL ZAB A 10 -4.511 -5.772 8.054 1.00 0.00 H new HETATM 0 HK2 ZAB A 10 -2.612 -4.167 8.235 1.00 0.00 H new HETATM 0 HJ2 ZAB A 10 -0.299 -4.885 7.631 1.00 0.00 H new HETATM 0 HJ1 ZAB A 10 -1.782 -8.820 6.641 1.00 0.00 H new HETATM 0 HG2 ZAB A 10 0.605 -5.557 0.956 1.00 0.00 H new HETATM 0 HG1 ZAB A 10 2.843 -5.713 4.652 1.00 0.00 H new HETATM 0 HE ZAB A 10 -0.790 -8.021 4.226 1.00 0.00 H new HETATM 0 HD2 ZAB A 10 -1.008 -7.230 1.865 1.00 0.00 H new HETATM 0 HA3 ZAB A 10 2.764 -3.572 2.924 1.00 0.00 H new HETATM 0 HA2 ZAB A 10 2.401 -4.055 1.279 1.00 0.00 H new HETATM 1131 N ZAB B 110 -4.090 -5.522 -2.590 1.00 0.00 N HETATM 1132 CA ZAB B 110 -2.810 -4.839 -2.648 1.00 0.00 C HETATM 1133 CB ZAB B 110 -1.714 -5.766 -3.131 1.00 0.00 C HETATM 1134 CG2 ZAB B 110 -0.542 -5.934 -2.368 1.00 0.00 C HETATM 1135 CD2 ZAB B 110 0.527 -6.696 -2.874 1.00 0.00 C HETATM 1136 CE ZAB B 110 0.444 -7.263 -4.159 1.00 0.00 C HETATM 1137 CD1 ZAB B 110 -0.732 -7.101 -4.914 1.00 0.00 C HETATM 1138 CG1 ZAB B 110 -1.817 -6.386 -4.391 1.00 0.00 C HETATM 1139 NG ZAB B 110 -0.860 -7.626 -6.186 1.00 0.00 N HETATM 1140 NI ZAB B 110 -0.077 -7.673 -7.212 1.00 0.00 N HETATM 1141 CI ZAB B 110 1.201 -7.196 -7.422 1.00 0.00 C HETATM 1142 CJ2 ZAB B 110 1.401 -5.834 -7.700 1.00 0.00 C HETATM 1143 CK2 ZAB B 110 2.702 -5.370 -7.958 1.00 0.00 C HETATM 1144 CL ZAB B 110 3.791 -6.260 -7.930 1.00 0.00 C HETATM 1145 CK1 ZAB B 110 3.587 -7.631 -7.663 1.00 0.00 C HETATM 1146 CJ1 ZAB B 110 2.279 -8.093 -7.412 1.00 0.00 C HETATM 1147 CM ZAB B 110 4.737 -8.627 -7.720 1.00 0.00 C HETATM 1148 C ZAB B 110 6.099 -8.107 -7.251 1.00 0.00 C HETATM 1149 O ZAB B 110 6.320 -8.053 -6.033 1.00 0.00 O HETATM 0 HM3 ZAB B 110 4.472 -9.493 -7.113 1.00 0.00 H new HETATM 0 HM2 ZAB B 110 4.838 -8.977 -8.747 1.00 0.00 H new HETATM 0 HL ZAB B 110 4.799 -5.889 -8.116 1.00 0.00 H new HETATM 0 HK2 ZAB B 110 2.868 -4.316 -8.181 1.00 0.00 H new HETATM 0 HJ2 ZAB B 110 0.557 -5.145 -7.715 1.00 0.00 H new HETATM 0 HJ1 ZAB B 110 2.105 -9.150 -7.210 1.00 0.00 H new HETATM 0 HG2 ZAB B 110 -0.463 -5.473 -1.384 1.00 0.00 H new HETATM 0 HG1 ZAB B 110 -2.743 -6.309 -4.961 1.00 0.00 H new HETATM 0 HE ZAB B 110 1.285 -7.824 -4.567 1.00 0.00 H new HETATM 0 HD2 ZAB B 110 1.421 -6.847 -2.269 1.00 0.00 H new HETATM 0 HA3 ZAB B 110 -2.883 -3.980 -3.315 1.00 0.00 H new HETATM 0 HA2 ZAB B 110 -2.555 -4.454 -1.660 1.00 0.00 H new