USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 638 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 ASN : amide:sc= 1.3 K(o=1.1,f=-1.5) USER MOD Set 1.2: A 52 GLN : amide:sc= -0.171 K(o=1.1,f=0.43) USER MOD Single : A 7 ASN :FLIP amide:sc= 0 F(o=-0.89,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot -15:sc= 0.759 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -76:sc= 0.62 USER MOD Single : A 21 ASN : amide:sc= 0.0226 X(o=0.023,f=0) USER MOD Single : A 23 MET CE :methyl 166:sc= -0.0547 (180deg=-0.386) USER MOD Single : A 25 LYS NZ :NH3+ -166:sc= 1.17 (180deg=1.14) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0928 X(o=-0.093,f=-0.16) USER MOD Single : A 38 MET CE :methyl -150:sc= -0.244 (180deg=-0.652) USER MOD Single : A 42 SER OG : rot 81:sc= 0.986 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 179:sc= 1.22 (180deg=1.16) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0979) USER MOD Single : A 63 LYS NZ :NH3+ 168:sc= 1.24 (180deg=1.12) USER MOD Single : A 65 ASN : amide:sc= -0.818 K(o=-0.82,f=-2.1) USER MOD Single : A 66 GLN : amide:sc= -0.418 X(o=-0.42,f=-0.25) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 74 MET CE :methyl -141:sc= -0.102 (180deg=-0.578) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 56:sc= -0.0921 USER MOD Single : A 84 MET CE :methyl 157:sc= -0.103 (180deg=-0.64) USER MOD Single : A 89 LYS NZ :NH3+ -167:sc= -0.0374 (180deg=-0.262) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 7 10.866 -20.308 0.529 1.00 0.00 N ATOM 2 CA ASN A 7 12.204 -19.827 0.205 1.00 0.00 C ATOM 3 C ASN A 7 12.138 -18.577 -0.653 1.00 0.00 C ATOM 4 O ASN A 7 12.951 -17.666 -0.509 1.00 0.00 O ATOM 5 CB ASN A 7 13.015 -20.917 -0.507 1.00 0.00 C ATOM 6 CG ASN A 7 13.200 -22.169 0.339 1.00 0.00 C ATOM 7 OD1 ASN A 7 13.263 -22.003 1.653 1.00 0.00 O flip ATOM 8 ND2 ASN A 7 13.286 -23.278 -0.188 1.00 0.00 N flip ATOM 0 HA ASN A 7 12.705 -19.576 1.140 1.00 0.00 H new ATOM 0 HB2 ASN A 7 12.515 -21.185 -1.438 1.00 0.00 H new ATOM 0 HB3 ASN A 7 13.993 -20.518 -0.774 1.00 0.00 H new ATOM 0 HD21 ASN A 7 13.233 -23.366 -1.203 1.00 0.00 H new ATOM 0 HD22 ASN A 7 13.410 -24.109 0.390 1.00 0.00 H new ATOM 15 N GLY A 8 11.165 -18.538 -1.540 1.00 0.00 N ATOM 16 CA GLY A 8 10.990 -17.397 -2.397 1.00 0.00 C ATOM 17 C GLY A 8 9.560 -16.929 -2.399 1.00 0.00 C ATOM 18 O GLY A 8 8.799 -17.242 -3.315 1.00 0.00 O ATOM 0 H GLY A 8 10.486 -19.286 -1.682 1.00 0.00 H new ATOM 0 HA2 GLY A 8 11.639 -16.587 -2.065 1.00 0.00 H new ATOM 0 HA3 GLY A 8 11.293 -17.652 -3.412 1.00 0.00 H new ATOM 22 N LEU A 9 9.188 -16.194 -1.366 1.00 0.00 N ATOM 23 CA LEU A 9 7.844 -15.684 -1.229 1.00 0.00 C ATOM 24 C LEU A 9 7.562 -14.629 -2.299 1.00 0.00 C ATOM 25 O LEU A 9 8.495 -14.002 -2.822 1.00 0.00 O ATOM 26 CB LEU A 9 7.635 -15.078 0.175 1.00 0.00 C ATOM 27 CG LEU A 9 7.639 -16.058 1.364 1.00 0.00 C ATOM 28 CD1 LEU A 9 9.043 -16.582 1.658 1.00 0.00 C ATOM 29 CD2 LEU A 9 7.047 -15.392 2.598 1.00 0.00 C ATOM 0 H LEU A 9 9.812 -15.936 -0.601 1.00 0.00 H new ATOM 0 HA LEU A 9 7.149 -16.514 -1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 9 8.415 -14.336 0.344 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.684 -14.546 0.177 1.00 0.00 H new ATOM 0 HG LEU A 9 7.021 -16.914 1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 9 9.005 -17.270 2.503 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.427 -17.104 0.782 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.700 -15.747 1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.056 -16.095 3.431 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.640 -14.515 2.858 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.021 -15.088 2.391 1.00 0.00 H new ATOM 41 N PRO A 10 6.274 -14.442 -2.663 1.00 0.00 N ATOM 42 CA PRO A 10 5.856 -13.434 -3.639 1.00 0.00 C ATOM 43 C PRO A 10 6.468 -12.066 -3.349 1.00 0.00 C ATOM 44 O PRO A 10 6.680 -11.700 -2.184 1.00 0.00 O ATOM 45 CB PRO A 10 4.322 -13.377 -3.479 1.00 0.00 C ATOM 46 CG PRO A 10 4.010 -14.229 -2.289 1.00 0.00 C ATOM 47 CD PRO A 10 5.130 -15.211 -2.171 1.00 0.00 C ATOM 0 HA PRO A 10 6.179 -13.691 -4.648 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.981 -12.353 -3.328 1.00 0.00 H new ATOM 0 HB3 PRO A 10 3.821 -13.751 -4.371 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.928 -13.622 -1.387 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.056 -14.741 -2.417 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.274 -15.541 -1.142 1.00 0.00 H new ATOM 0 HD3 PRO A 10 4.952 -16.104 -2.770 1.00 0.00 H new ATOM 55 N SER A 11 6.725 -11.310 -4.399 1.00 0.00 N ATOM 56 CA SER A 11 7.361 -10.009 -4.287 1.00 0.00 C ATOM 57 C SER A 11 6.588 -9.082 -3.350 1.00 0.00 C ATOM 58 O SER A 11 7.180 -8.253 -2.669 1.00 0.00 O ATOM 59 CB SER A 11 7.496 -9.379 -5.669 1.00 0.00 C ATOM 60 OG SER A 11 8.160 -10.265 -6.560 1.00 0.00 O ATOM 0 H SER A 11 6.499 -11.580 -5.356 1.00 0.00 H new ATOM 0 HA SER A 11 8.353 -10.153 -3.858 1.00 0.00 H new ATOM 0 HB2 SER A 11 6.509 -9.133 -6.060 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.052 -8.444 -5.596 1.00 0.00 H new ATOM 0 HG SER A 11 8.236 -9.845 -7.442 1.00 0.00 H new ATOM 66 N GLU A 12 5.272 -9.261 -3.291 1.00 0.00 N ATOM 67 CA GLU A 12 4.407 -8.425 -2.457 1.00 0.00 C ATOM 68 C GLU A 12 4.813 -8.499 -0.985 1.00 0.00 C ATOM 69 O GLU A 12 4.688 -7.524 -0.244 1.00 0.00 O ATOM 70 CB GLU A 12 2.942 -8.852 -2.600 1.00 0.00 C ATOM 71 CG GLU A 12 2.513 -9.175 -4.024 1.00 0.00 C ATOM 72 CD GLU A 12 2.984 -8.154 -5.034 1.00 0.00 C ATOM 73 OE1 GLU A 12 2.490 -7.019 -5.015 1.00 0.00 O ATOM 74 OE2 GLU A 12 3.843 -8.500 -5.873 1.00 0.00 O ATOM 0 H GLU A 12 4.776 -9.983 -3.814 1.00 0.00 H new ATOM 0 HA GLU A 12 4.521 -7.397 -2.800 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.770 -9.728 -1.975 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.306 -8.055 -2.214 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.901 -10.155 -4.300 1.00 0.00 H new ATOM 0 HG3 GLU A 12 1.426 -9.240 -4.063 1.00 0.00 H new ATOM 81 N THR A 13 5.311 -9.654 -0.573 1.00 0.00 N ATOM 82 CA THR A 13 5.712 -9.861 0.810 1.00 0.00 C ATOM 83 C THR A 13 7.177 -9.488 1.015 1.00 0.00 C ATOM 84 O THR A 13 7.649 -9.387 2.147 1.00 0.00 O ATOM 85 CB THR A 13 5.518 -11.342 1.232 1.00 0.00 C ATOM 86 OG1 THR A 13 6.313 -12.202 0.408 1.00 0.00 O ATOM 87 CG2 THR A 13 4.065 -11.761 1.111 1.00 0.00 C ATOM 0 H THR A 13 5.447 -10.464 -1.178 1.00 0.00 H new ATOM 0 HA THR A 13 5.080 -9.220 1.425 1.00 0.00 H new ATOM 0 HB THR A 13 5.830 -11.429 2.273 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.608 -11.712 -0.388 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.960 -12.803 1.413 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.450 -11.133 1.756 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.739 -11.649 0.077 1.00 0.00 H new ATOM 95 N TYR A 14 7.880 -9.277 -0.084 1.00 0.00 N ATOM 96 CA TYR A 14 9.303 -9.028 -0.052 1.00 0.00 C ATOM 97 C TYR A 14 9.661 -7.534 -0.139 1.00 0.00 C ATOM 98 O TYR A 14 10.771 -7.137 0.225 1.00 0.00 O ATOM 99 CB TYR A 14 9.963 -9.815 -1.192 1.00 0.00 C ATOM 100 CG TYR A 14 11.452 -9.639 -1.294 1.00 0.00 C ATOM 101 CD1 TYR A 14 12.304 -10.182 -0.342 1.00 0.00 C ATOM 102 CD2 TYR A 14 12.009 -8.934 -2.345 1.00 0.00 C ATOM 103 CE1 TYR A 14 13.667 -10.022 -0.436 1.00 0.00 C ATOM 104 CE2 TYR A 14 13.367 -8.769 -2.449 1.00 0.00 C ATOM 105 CZ TYR A 14 14.196 -9.313 -1.492 1.00 0.00 C ATOM 106 OH TYR A 14 15.559 -9.148 -1.595 1.00 0.00 O ATOM 0 H TYR A 14 7.477 -9.274 -1.021 1.00 0.00 H new ATOM 0 HA TYR A 14 9.681 -9.364 0.913 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.744 -10.874 -1.059 1.00 0.00 H new ATOM 0 HB3 TYR A 14 9.509 -9.512 -2.135 1.00 0.00 H new ATOM 0 HD1 TYR A 14 11.890 -10.739 0.486 1.00 0.00 H new ATOM 0 HD2 TYR A 14 11.364 -8.506 -3.097 1.00 0.00 H new ATOM 0 HE1 TYR A 14 14.318 -10.449 0.313 1.00 0.00 H new ATOM 0 HE2 TYR A 14 13.784 -8.215 -3.277 1.00 0.00 H new ATOM 0 HH TYR A 14 15.765 -8.625 -2.398 1.00 0.00 H new ATOM 116 N ILE A 15 8.739 -6.702 -0.601 1.00 0.00 N ATOM 117 CA ILE A 15 9.040 -5.280 -0.746 1.00 0.00 C ATOM 118 C ILE A 15 8.381 -4.429 0.336 1.00 0.00 C ATOM 119 O ILE A 15 7.354 -4.810 0.916 1.00 0.00 O ATOM 120 CB ILE A 15 8.708 -4.724 -2.169 1.00 0.00 C ATOM 121 CG1 ILE A 15 7.365 -5.253 -2.707 1.00 0.00 C ATOM 122 CG2 ILE A 15 9.832 -5.053 -3.140 1.00 0.00 C ATOM 123 CD1 ILE A 15 6.139 -4.691 -2.019 1.00 0.00 C ATOM 0 H ILE A 15 7.796 -6.975 -0.877 1.00 0.00 H new ATOM 0 HA ILE A 15 10.120 -5.203 -0.617 1.00 0.00 H new ATOM 0 HB ILE A 15 8.614 -3.642 -2.078 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.302 -5.028 -3.772 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.353 -6.339 -2.610 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.587 -4.660 -4.127 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.760 -4.601 -2.789 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.956 -6.134 -3.201 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.242 -5.121 -2.465 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.171 -4.939 -0.958 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.120 -3.608 -2.138 1.00 0.00 H new ATOM 135 N THR A 16 8.982 -3.292 0.613 1.00 0.00 N ATOM 136 CA THR A 16 8.488 -2.387 1.627 1.00 0.00 C ATOM 137 C THR A 16 7.865 -1.155 0.988 1.00 0.00 C ATOM 138 O THR A 16 7.995 -0.938 -0.220 1.00 0.00 O ATOM 139 CB THR A 16 9.628 -1.942 2.563 1.00 0.00 C ATOM 140 OG1 THR A 16 10.684 -1.363 1.790 1.00 0.00 O ATOM 141 CG2 THR A 16 10.170 -3.120 3.355 1.00 0.00 C ATOM 0 H THR A 16 9.827 -2.969 0.141 1.00 0.00 H new ATOM 0 HA THR A 16 7.732 -2.919 2.205 1.00 0.00 H new ATOM 0 HB THR A 16 9.232 -1.206 3.262 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.189 -2.073 1.341 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.974 -2.780 4.008 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.371 -3.552 3.957 1.00 0.00 H new ATOM 0 HG23 THR A 16 10.555 -3.874 2.668 1.00 0.00 H new ATOM 149 N CYS A 17 7.198 -0.347 1.798 1.00 0.00 N ATOM 150 CA CYS A 17 6.592 0.884 1.312 1.00 0.00 C ATOM 151 C CYS A 17 7.684 1.849 0.862 1.00 0.00 C ATOM 152 O CYS A 17 7.515 2.585 -0.104 1.00 0.00 O ATOM 153 CB CYS A 17 5.759 1.529 2.411 1.00 0.00 C ATOM 154 SG CYS A 17 5.008 0.334 3.563 1.00 0.00 S ATOM 0 H CYS A 17 7.063 -0.521 2.794 1.00 0.00 H new ATOM 0 HA CYS A 17 5.943 0.650 0.468 1.00 0.00 H new ATOM 0 HB2 CYS A 17 6.389 2.217 2.975 1.00 0.00 H new ATOM 0 HB3 CYS A 17 4.969 2.124 1.953 1.00 0.00 H new ATOM 159 N ALA A 18 8.813 1.814 1.573 1.00 0.00 N ATOM 160 CA ALA A 18 9.954 2.657 1.254 1.00 0.00 C ATOM 161 C ALA A 18 10.442 2.380 -0.163 1.00 0.00 C ATOM 162 O ALA A 18 10.592 3.298 -0.966 1.00 0.00 O ATOM 163 CB ALA A 18 11.070 2.436 2.261 1.00 0.00 C ATOM 0 H ALA A 18 8.956 1.204 2.378 1.00 0.00 H new ATOM 0 HA ALA A 18 9.643 3.700 1.309 1.00 0.00 H new ATOM 0 HB1 ALA A 18 11.918 3.073 2.010 1.00 0.00 H new ATOM 0 HB2 ALA A 18 10.713 2.684 3.260 1.00 0.00 H new ATOM 0 HB3 ALA A 18 11.381 1.392 2.236 1.00 0.00 H new ATOM 169 N GLU A 19 10.686 1.109 -0.469 1.00 0.00 N ATOM 170 CA GLU A 19 11.107 0.706 -1.804 1.00 0.00 C ATOM 171 C GLU A 19 10.046 1.049 -2.840 1.00 0.00 C ATOM 172 O GLU A 19 10.369 1.391 -3.974 1.00 0.00 O ATOM 173 CB GLU A 19 11.390 -0.784 -1.819 1.00 0.00 C ATOM 174 CG GLU A 19 12.448 -1.198 -0.821 1.00 0.00 C ATOM 175 CD GLU A 19 12.552 -2.687 -0.680 1.00 0.00 C ATOM 176 OE1 GLU A 19 13.312 -3.308 -1.443 1.00 0.00 O ATOM 177 OE2 GLU A 19 11.869 -3.248 0.207 1.00 0.00 O ATOM 0 H GLU A 19 10.598 0.339 0.194 1.00 0.00 H new ATOM 0 HA GLU A 19 12.015 1.252 -2.061 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.468 -1.325 -1.607 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.708 -1.077 -2.819 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.413 -0.797 -1.132 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.219 -0.759 0.150 1.00 0.00 H new ATOM 184 N ALA A 20 8.779 0.959 -2.444 1.00 0.00 N ATOM 185 CA ALA A 20 7.680 1.318 -3.325 1.00 0.00 C ATOM 186 C ALA A 20 7.771 2.797 -3.693 1.00 0.00 C ATOM 187 O ALA A 20 7.441 3.197 -4.804 1.00 0.00 O ATOM 188 CB ALA A 20 6.345 1.005 -2.664 1.00 0.00 C ATOM 0 H ALA A 20 8.492 0.640 -1.519 1.00 0.00 H new ATOM 0 HA ALA A 20 7.750 0.728 -4.239 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.533 1.280 -3.337 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.289 -0.061 -2.444 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.256 1.572 -1.737 1.00 0.00 H new ATOM 194 N ASN A 21 8.251 3.593 -2.749 1.00 0.00 N ATOM 195 CA ASN A 21 8.452 5.018 -2.964 1.00 0.00 C ATOM 196 C ASN A 21 9.593 5.215 -3.948 1.00 0.00 C ATOM 197 O ASN A 21 9.509 6.041 -4.867 1.00 0.00 O ATOM 198 CB ASN A 21 8.767 5.721 -1.637 1.00 0.00 C ATOM 199 CG ASN A 21 9.126 7.188 -1.806 1.00 0.00 C ATOM 200 OD1 ASN A 21 8.249 8.057 -1.828 1.00 0.00 O ATOM 201 ND2 ASN A 21 10.414 7.477 -1.905 1.00 0.00 N ATOM 0 H ASN A 21 8.511 3.271 -1.817 1.00 0.00 H new ATOM 0 HA ASN A 21 7.540 5.455 -3.371 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.904 5.639 -0.976 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.593 5.206 -1.148 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.713 8.447 -2.004 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.108 6.729 -1.883 1.00 0.00 H new ATOM 208 N GLU A 22 10.661 4.446 -3.743 1.00 0.00 N ATOM 209 CA GLU A 22 11.811 4.467 -4.631 1.00 0.00 C ATOM 210 C GLU A 22 11.406 4.081 -6.046 1.00 0.00 C ATOM 211 O GLU A 22 11.862 4.675 -7.008 1.00 0.00 O ATOM 212 CB GLU A 22 12.912 3.537 -4.119 1.00 0.00 C ATOM 213 CG GLU A 22 13.486 3.961 -2.780 1.00 0.00 C ATOM 214 CD GLU A 22 13.955 5.398 -2.791 1.00 0.00 C ATOM 215 OE1 GLU A 22 14.957 5.696 -3.469 1.00 0.00 O ATOM 216 OE2 GLU A 22 13.317 6.242 -2.128 1.00 0.00 O ATOM 0 H GLU A 22 10.749 3.797 -2.961 1.00 0.00 H new ATOM 0 HA GLU A 22 12.203 5.484 -4.649 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.512 2.527 -4.031 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.716 3.498 -4.854 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.730 3.833 -2.005 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.321 3.310 -2.522 1.00 0.00 H new ATOM 223 N MET A 23 10.589 3.055 -6.169 1.00 0.00 N ATOM 224 CA MET A 23 10.048 2.674 -7.464 1.00 0.00 C ATOM 225 C MET A 23 9.237 3.820 -8.077 1.00 0.00 C ATOM 226 O MET A 23 9.508 4.239 -9.183 1.00 0.00 O ATOM 227 CB MET A 23 9.171 1.427 -7.332 1.00 0.00 C ATOM 228 CG MET A 23 9.917 0.182 -6.879 1.00 0.00 C ATOM 229 SD MET A 23 8.812 -1.202 -6.523 1.00 0.00 S ATOM 230 CE MET A 23 8.023 -1.435 -8.114 1.00 0.00 C ATOM 0 H MET A 23 10.284 2.469 -5.392 1.00 0.00 H new ATOM 0 HA MET A 23 10.885 2.450 -8.125 1.00 0.00 H new ATOM 0 HB2 MET A 23 8.370 1.634 -6.623 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.701 1.224 -8.294 1.00 0.00 H new ATOM 0 HG2 MET A 23 10.625 -0.114 -7.653 1.00 0.00 H new ATOM 0 HG3 MET A 23 10.498 0.416 -5.987 1.00 0.00 H new ATOM 0 HE1 MET A 23 7.507 -2.395 -8.127 1.00 0.00 H new ATOM 0 HE2 MET A 23 7.304 -0.634 -8.284 1.00 0.00 H new ATOM 0 HE3 MET A 23 8.778 -1.418 -8.900 1.00 0.00 H new ATOM 240 N ALA A 24 8.248 4.309 -7.322 1.00 0.00 N ATOM 241 CA ALA A 24 7.341 5.396 -7.750 1.00 0.00 C ATOM 242 C ALA A 24 8.060 6.612 -8.355 1.00 0.00 C ATOM 243 O ALA A 24 7.510 7.292 -9.218 1.00 0.00 O ATOM 244 CB ALA A 24 6.463 5.834 -6.586 1.00 0.00 C ATOM 0 H ALA A 24 8.047 3.962 -6.384 1.00 0.00 H new ATOM 0 HA ALA A 24 6.730 4.979 -8.550 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.799 6.635 -6.912 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.869 4.988 -6.240 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.092 6.193 -5.771 1.00 0.00 H new ATOM 250 N LYS A 25 9.272 6.886 -7.910 1.00 0.00 N ATOM 251 CA LYS A 25 10.017 8.049 -8.417 1.00 0.00 C ATOM 252 C LYS A 25 10.426 7.815 -9.857 1.00 0.00 C ATOM 253 O LYS A 25 10.672 8.753 -10.612 1.00 0.00 O ATOM 254 CB LYS A 25 11.244 8.363 -7.542 1.00 0.00 C ATOM 255 CG LYS A 25 12.400 7.398 -7.711 1.00 0.00 C ATOM 256 CD LYS A 25 13.468 7.614 -6.656 1.00 0.00 C ATOM 257 CE LYS A 25 14.608 6.619 -6.812 1.00 0.00 C ATOM 258 NZ LYS A 25 15.641 6.790 -5.761 1.00 0.00 N ATOM 0 H LYS A 25 9.766 6.335 -7.208 1.00 0.00 H new ATOM 0 HA LYS A 25 9.360 8.918 -8.373 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.591 9.370 -7.773 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.938 8.364 -6.496 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.031 6.374 -7.652 1.00 0.00 H new ATOM 0 HG3 LYS A 25 12.837 7.523 -8.702 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.856 8.630 -6.731 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.028 7.513 -5.664 1.00 0.00 H new ATOM 0 HE2 LYS A 25 14.212 5.604 -6.770 1.00 0.00 H new ATOM 0 HE3 LYS A 25 15.065 6.742 -7.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 16.500 6.269 -6.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 15.867 7.800 -5.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 15.281 6.421 -4.858 1.00 0.00 H new ATOM 272 N THR A 26 10.498 6.560 -10.221 1.00 0.00 N ATOM 273 CA THR A 26 10.800 6.164 -11.561 1.00 0.00 C ATOM 274 C THR A 26 9.504 5.762 -12.255 1.00 0.00 C ATOM 275 O THR A 26 9.285 6.074 -13.427 1.00 0.00 O ATOM 276 CB THR A 26 11.764 4.966 -11.560 1.00 0.00 C ATOM 277 OG1 THR A 26 12.839 5.216 -10.641 1.00 0.00 O ATOM 278 CG2 THR A 26 12.334 4.723 -12.946 1.00 0.00 C ATOM 0 H THR A 26 10.346 5.779 -9.582 1.00 0.00 H new ATOM 0 HA THR A 26 11.272 6.995 -12.085 1.00 0.00 H new ATOM 0 HB THR A 26 11.208 4.080 -11.254 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.452 4.452 -10.639 1.00 0.00 H new ATOM 0 HG21 THR A 26 13.012 3.870 -12.916 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.521 4.516 -13.642 1.00 0.00 H new ATOM 0 HG23 THR A 26 12.878 5.608 -13.276 1.00 0.00 H new ATOM 286 N ASP A 27 8.640 5.089 -11.500 1.00 0.00 N ATOM 287 CA ASP A 27 7.373 4.616 -12.005 1.00 0.00 C ATOM 288 C ASP A 27 6.289 4.760 -10.950 1.00 0.00 C ATOM 289 O ASP A 27 6.078 3.863 -10.127 1.00 0.00 O ATOM 290 CB ASP A 27 7.492 3.171 -12.383 1.00 0.00 C ATOM 291 CG ASP A 27 6.484 2.774 -13.447 1.00 0.00 C ATOM 292 OD1 ASP A 27 5.289 3.118 -13.304 1.00 0.00 O ATOM 293 OD2 ASP A 27 6.874 2.099 -14.419 1.00 0.00 O ATOM 0 H ASP A 27 8.807 4.860 -10.520 1.00 0.00 H new ATOM 0 HA ASP A 27 7.105 5.213 -12.877 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.500 2.974 -12.748 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.347 2.552 -11.498 1.00 0.00 H new ATOM 298 N SER A 28 5.628 5.883 -10.965 1.00 0.00 N ATOM 299 CA SER A 28 4.568 6.153 -10.019 1.00 0.00 C ATOM 300 C SER A 28 3.335 5.318 -10.346 1.00 0.00 C ATOM 301 O SER A 28 2.619 4.872 -9.449 1.00 0.00 O ATOM 302 CB SER A 28 4.223 7.648 -10.016 1.00 0.00 C ATOM 303 OG SER A 28 3.262 7.956 -9.012 1.00 0.00 O ATOM 0 H SER A 28 5.803 6.638 -11.628 1.00 0.00 H new ATOM 0 HA SER A 28 4.914 5.877 -9.023 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.128 8.232 -9.847 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.836 7.936 -10.993 1.00 0.00 H new ATOM 0 HG SER A 28 3.063 8.915 -9.033 1.00 0.00 H new ATOM 309 N ALA A 29 3.110 5.081 -11.632 1.00 0.00 N ATOM 310 CA ALA A 29 1.954 4.322 -12.081 1.00 0.00 C ATOM 311 C ALA A 29 2.037 2.863 -11.636 1.00 0.00 C ATOM 312 O ALA A 29 1.046 2.286 -11.183 1.00 0.00 O ATOM 313 CB ALA A 29 1.827 4.412 -13.595 1.00 0.00 C ATOM 0 H ALA A 29 3.717 5.406 -12.384 1.00 0.00 H new ATOM 0 HA ALA A 29 1.065 4.756 -11.623 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.958 3.840 -13.922 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.707 5.455 -13.889 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.725 4.005 -14.060 1.00 0.00 H new ATOM 319 N GLN A 30 3.222 2.279 -11.760 1.00 0.00 N ATOM 320 CA GLN A 30 3.452 0.887 -11.374 1.00 0.00 C ATOM 321 C GLN A 30 3.141 0.664 -9.899 1.00 0.00 C ATOM 322 O GLN A 30 2.489 -0.309 -9.530 1.00 0.00 O ATOM 323 CB GLN A 30 4.909 0.504 -11.654 1.00 0.00 C ATOM 324 CG GLN A 30 5.231 -0.960 -11.429 1.00 0.00 C ATOM 325 CD GLN A 30 4.446 -1.870 -12.353 1.00 0.00 C ATOM 326 OE1 GLN A 30 3.349 -2.312 -12.021 1.00 0.00 O ATOM 327 NE2 GLN A 30 5.002 -2.155 -13.513 1.00 0.00 N ATOM 0 H GLN A 30 4.048 2.751 -12.128 1.00 0.00 H new ATOM 0 HA GLN A 30 2.785 0.259 -11.964 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.146 0.760 -12.687 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.558 1.107 -11.019 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.298 -1.123 -11.582 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.014 -1.223 -10.394 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.915 -1.767 -13.750 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.519 -2.764 -14.174 1.00 0.00 H new ATOM 336 N VAL A 31 3.568 1.592 -9.070 1.00 0.00 N ATOM 337 CA VAL A 31 3.401 1.468 -7.636 1.00 0.00 C ATOM 338 C VAL A 31 1.973 1.771 -7.233 1.00 0.00 C ATOM 339 O VAL A 31 1.419 1.126 -6.339 1.00 0.00 O ATOM 340 CB VAL A 31 4.363 2.399 -6.880 1.00 0.00 C ATOM 341 CG1 VAL A 31 4.177 2.270 -5.376 1.00 0.00 C ATOM 342 CG2 VAL A 31 5.789 2.091 -7.271 1.00 0.00 C ATOM 0 H VAL A 31 4.037 2.448 -9.367 1.00 0.00 H new ATOM 0 HA VAL A 31 3.635 0.438 -7.368 1.00 0.00 H new ATOM 0 HB VAL A 31 4.137 3.429 -7.155 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.869 2.939 -4.865 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.154 2.536 -5.112 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.375 1.242 -5.072 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.465 2.754 -6.732 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.019 1.056 -7.020 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.913 2.241 -8.344 1.00 0.00 H new ATOM 352 N ALA A 32 1.361 2.710 -7.934 1.00 0.00 N ATOM 353 CA ALA A 32 0.003 3.113 -7.633 1.00 0.00 C ATOM 354 C ALA A 32 -0.957 1.996 -7.990 1.00 0.00 C ATOM 355 O ALA A 32 -2.019 1.862 -7.400 1.00 0.00 O ATOM 356 CB ALA A 32 -0.357 4.382 -8.385 1.00 0.00 C ATOM 0 H ALA A 32 1.786 3.207 -8.717 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.073 3.317 -6.565 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.381 4.669 -8.146 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.322 5.183 -8.093 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -0.271 4.206 -9.457 1.00 0.00 H new ATOM 362 N GLU A 33 -0.568 1.200 -8.966 1.00 0.00 N ATOM 363 CA GLU A 33 -1.360 0.071 -9.396 1.00 0.00 C ATOM 364 C GLU A 33 -1.293 -1.060 -8.373 1.00 0.00 C ATOM 365 O GLU A 33 -2.315 -1.626 -7.995 1.00 0.00 O ATOM 366 CB GLU A 33 -0.872 -0.410 -10.758 1.00 0.00 C ATOM 367 CG GLU A 33 -1.743 -1.473 -11.393 1.00 0.00 C ATOM 368 CD GLU A 33 -1.278 -1.823 -12.782 1.00 0.00 C ATOM 369 OE1 GLU A 33 -1.545 -1.038 -13.717 1.00 0.00 O ATOM 370 OE2 GLU A 33 -0.635 -2.875 -12.953 1.00 0.00 O ATOM 0 H GLU A 33 0.304 1.319 -9.481 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.400 0.384 -9.481 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.813 0.445 -11.432 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.139 -0.802 -10.651 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.735 -2.368 -10.771 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.774 -1.122 -11.433 1.00 0.00 H new ATOM 377 N ILE A 34 -0.084 -1.362 -7.902 1.00 0.00 N ATOM 378 CA ILE A 34 0.122 -2.448 -6.951 1.00 0.00 C ATOM 379 C ILE A 34 -0.632 -2.180 -5.660 1.00 0.00 C ATOM 380 O ILE A 34 -1.343 -3.055 -5.142 1.00 0.00 O ATOM 381 CB ILE A 34 1.630 -2.649 -6.637 1.00 0.00 C ATOM 382 CG1 ILE A 34 2.392 -3.018 -7.916 1.00 0.00 C ATOM 383 CG2 ILE A 34 1.822 -3.722 -5.567 1.00 0.00 C ATOM 384 CD1 ILE A 34 3.892 -3.131 -7.727 1.00 0.00 C ATOM 0 H ILE A 34 0.768 -0.867 -8.166 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.261 -3.359 -7.411 1.00 0.00 H new ATOM 0 HB ILE A 34 2.031 -1.712 -6.251 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.011 -3.967 -8.293 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.187 -2.267 -8.679 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.886 -3.846 -5.363 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.310 -3.420 -4.653 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.408 -4.666 -5.920 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.359 -3.395 -8.676 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.288 -2.177 -7.380 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.109 -3.903 -6.989 1.00 0.00 H new ATOM 396 N VAL A 35 -0.500 -0.964 -5.159 1.00 0.00 N ATOM 397 CA VAL A 35 -1.170 -0.576 -3.933 1.00 0.00 C ATOM 398 C VAL A 35 -2.689 -0.522 -4.118 1.00 0.00 C ATOM 399 O VAL A 35 -3.444 -0.798 -3.191 1.00 0.00 O ATOM 400 CB VAL A 35 -0.667 0.785 -3.405 1.00 0.00 C ATOM 401 CG1 VAL A 35 0.808 0.712 -3.029 1.00 0.00 C ATOM 402 CG2 VAL A 35 -0.914 1.886 -4.422 1.00 0.00 C ATOM 0 H VAL A 35 0.066 -0.229 -5.584 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.929 -1.342 -3.196 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.232 1.026 -2.504 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.138 1.683 -2.660 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.948 -0.039 -2.251 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.394 0.439 -3.907 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.551 2.835 -4.027 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.386 1.652 -5.347 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.982 1.962 -4.624 1.00 0.00 H new ATOM 412 N ALA A 36 -3.125 -0.181 -5.322 1.00 0.00 N ATOM 413 CA ALA A 36 -4.542 -0.083 -5.616 1.00 0.00 C ATOM 414 C ALA A 36 -5.180 -1.458 -5.699 1.00 0.00 C ATOM 415 O ALA A 36 -6.212 -1.706 -5.071 1.00 0.00 O ATOM 416 CB ALA A 36 -4.772 0.682 -6.908 1.00 0.00 C ATOM 0 H ALA A 36 -2.514 0.032 -6.111 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.013 0.463 -4.799 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.842 0.743 -7.109 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.362 1.688 -6.813 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.277 0.165 -7.730 1.00 0.00 H new ATOM 422 N VAL A 37 -4.564 -2.353 -6.474 1.00 0.00 N ATOM 423 CA VAL A 37 -5.096 -3.698 -6.659 1.00 0.00 C ATOM 424 C VAL A 37 -5.310 -4.415 -5.326 1.00 0.00 C ATOM 425 O VAL A 37 -6.447 -4.652 -4.933 1.00 0.00 O ATOM 426 CB VAL A 37 -4.194 -4.562 -7.582 1.00 0.00 C ATOM 427 CG1 VAL A 37 -4.727 -5.989 -7.680 1.00 0.00 C ATOM 428 CG2 VAL A 37 -4.101 -3.943 -8.969 1.00 0.00 C ATOM 0 H VAL A 37 -3.699 -2.168 -6.981 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.064 -3.574 -7.145 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.196 -4.594 -7.144 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.079 -6.575 -8.332 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.747 -6.439 -6.687 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.736 -5.973 -8.091 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.465 -4.562 -9.602 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.097 -3.880 -9.407 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.674 -2.943 -8.893 1.00 0.00 H new ATOM 438 N MET A 38 -4.231 -4.738 -4.614 1.00 0.00 N ATOM 439 CA MET A 38 -4.355 -5.442 -3.340 1.00 0.00 C ATOM 440 C MET A 38 -5.045 -4.603 -2.299 1.00 0.00 C ATOM 441 O MET A 38 -5.815 -5.122 -1.496 1.00 0.00 O ATOM 442 CB MET A 38 -2.991 -5.872 -2.809 1.00 0.00 C ATOM 443 CG MET A 38 -2.211 -6.767 -3.746 1.00 0.00 C ATOM 444 SD MET A 38 -0.754 -7.488 -2.965 1.00 0.00 S ATOM 445 CE MET A 38 0.042 -6.028 -2.282 1.00 0.00 C ATOM 0 H MET A 38 -3.273 -4.526 -4.894 1.00 0.00 H new ATOM 0 HA MET A 38 -4.962 -6.326 -3.536 1.00 0.00 H new ATOM 0 HB2 MET A 38 -2.399 -4.981 -2.599 1.00 0.00 H new ATOM 0 HB3 MET A 38 -3.131 -6.392 -1.861 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.860 -7.566 -4.103 1.00 0.00 H new ATOM 0 HG3 MET A 38 -1.903 -6.192 -4.619 1.00 0.00 H new ATOM 0 HE1 MET A 38 1.121 -6.181 -2.256 1.00 0.00 H new ATOM 0 HE2 MET A 38 -0.187 -5.164 -2.905 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.325 -5.853 -1.270 1.00 0.00 H new ATOM 455 N GLY A 39 -4.765 -3.310 -2.306 1.00 0.00 N ATOM 456 CA GLY A 39 -5.360 -2.423 -1.336 1.00 0.00 C ATOM 457 C GLY A 39 -6.857 -2.476 -1.365 1.00 0.00 C ATOM 458 O GLY A 39 -7.488 -2.843 -0.375 1.00 0.00 O ATOM 0 H GLY A 39 -4.134 -2.860 -2.969 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.008 -2.688 -0.339 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.030 -1.402 -1.529 1.00 0.00 H new ATOM 462 N ASN A 40 -7.422 -2.159 -2.513 1.00 0.00 N ATOM 463 CA ASN A 40 -8.865 -2.139 -2.680 1.00 0.00 C ATOM 464 C ASN A 40 -9.463 -3.543 -2.521 1.00 0.00 C ATOM 465 O ASN A 40 -10.513 -3.712 -1.901 1.00 0.00 O ATOM 466 CB ASN A 40 -9.233 -1.533 -4.052 1.00 0.00 C ATOM 467 CG ASN A 40 -9.634 -2.568 -5.094 1.00 0.00 C ATOM 468 OD1 ASN A 40 -10.801 -2.930 -5.210 1.00 0.00 O ATOM 469 ND2 ASN A 40 -8.675 -3.038 -5.849 1.00 0.00 N ATOM 0 H ASN A 40 -6.899 -1.909 -3.353 1.00 0.00 H new ATOM 0 HA ASN A 40 -9.292 -1.512 -1.897 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -10.054 -0.828 -3.919 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.382 -0.964 -4.427 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.885 -3.732 -6.567 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.718 -2.711 -5.720 1.00 0.00 H new ATOM 476 N ALA A 41 -8.771 -4.545 -3.062 1.00 0.00 N ATOM 477 CA ALA A 41 -9.247 -5.919 -3.009 1.00 0.00 C ATOM 478 C ALA A 41 -9.298 -6.454 -1.587 1.00 0.00 C ATOM 479 O ALA A 41 -10.222 -7.180 -1.232 1.00 0.00 O ATOM 480 CB ALA A 41 -8.383 -6.817 -3.880 1.00 0.00 C ATOM 0 H ALA A 41 -7.879 -4.427 -3.542 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.266 -5.921 -3.395 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.754 -7.841 -3.828 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.422 -6.469 -4.912 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.353 -6.786 -3.525 1.00 0.00 H new ATOM 486 N SER A 42 -8.327 -6.081 -0.770 1.00 0.00 N ATOM 487 CA SER A 42 -8.258 -6.586 0.586 1.00 0.00 C ATOM 488 C SER A 42 -9.134 -5.765 1.532 1.00 0.00 C ATOM 489 O SER A 42 -9.862 -6.324 2.350 1.00 0.00 O ATOM 490 CB SER A 42 -6.807 -6.588 1.072 1.00 0.00 C ATOM 491 OG SER A 42 -5.971 -7.305 0.170 1.00 0.00 O ATOM 0 H SER A 42 -7.580 -5.434 -1.023 1.00 0.00 H new ATOM 0 HA SER A 42 -8.636 -7.608 0.585 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.450 -5.563 1.168 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.752 -7.039 2.063 1.00 0.00 H new ATOM 0 HG SER A 42 -5.737 -6.729 -0.588 1.00 0.00 H new ATOM 497 N VAL A 43 -9.073 -4.441 1.413 1.00 0.00 N ATOM 498 CA VAL A 43 -9.841 -3.562 2.289 1.00 0.00 C ATOM 499 C VAL A 43 -11.353 -3.808 2.150 1.00 0.00 C ATOM 500 O VAL A 43 -12.064 -3.914 3.148 1.00 0.00 O ATOM 501 CB VAL A 43 -9.498 -2.060 2.043 1.00 0.00 C ATOM 502 CG1 VAL A 43 -9.999 -1.572 0.698 1.00 0.00 C ATOM 503 CG2 VAL A 43 -10.012 -1.182 3.168 1.00 0.00 C ATOM 0 H VAL A 43 -8.502 -3.955 0.721 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.555 -3.804 3.313 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.411 -1.984 2.028 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.737 -0.522 0.571 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.539 -2.159 -0.097 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.082 -1.684 0.651 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.756 -0.142 2.964 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -11.095 -1.281 3.241 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -9.555 -1.491 4.108 1.00 0.00 H new ATOM 513 N ALA A 44 -11.829 -3.953 0.917 1.00 0.00 N ATOM 514 CA ALA A 44 -13.244 -4.170 0.667 1.00 0.00 C ATOM 515 C ALA A 44 -13.650 -5.601 1.004 1.00 0.00 C ATOM 516 O ALA A 44 -14.828 -5.917 1.092 1.00 0.00 O ATOM 517 CB ALA A 44 -13.568 -3.851 -0.789 1.00 0.00 C ATOM 0 H ALA A 44 -11.252 -3.924 0.076 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.814 -3.503 1.313 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.630 -4.016 -0.970 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.322 -2.810 -0.997 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -12.984 -4.499 -1.442 1.00 0.00 H new ATOM 523 N SER A 45 -12.659 -6.448 1.225 1.00 0.00 N ATOM 524 CA SER A 45 -12.901 -7.850 1.497 1.00 0.00 C ATOM 525 C SER A 45 -13.312 -8.082 2.959 1.00 0.00 C ATOM 526 O SER A 45 -14.020 -9.042 3.263 1.00 0.00 O ATOM 527 CB SER A 45 -11.656 -8.680 1.143 1.00 0.00 C ATOM 528 OG SER A 45 -11.890 -10.069 1.304 1.00 0.00 O ATOM 0 H SER A 45 -11.674 -6.184 1.221 1.00 0.00 H new ATOM 0 HA SER A 45 -13.732 -8.175 0.871 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.364 -8.477 0.113 1.00 0.00 H new ATOM 0 HB3 SER A 45 -10.823 -8.375 1.776 1.00 0.00 H new ATOM 0 HG SER A 45 -11.079 -10.567 1.069 1.00 0.00 H new ATOM 534 N ARG A 46 -12.881 -7.201 3.870 1.00 0.00 N ATOM 535 CA ARG A 46 -13.226 -7.392 5.288 1.00 0.00 C ATOM 536 C ARG A 46 -14.061 -6.239 5.823 1.00 0.00 C ATOM 537 O ARG A 46 -14.770 -6.387 6.820 1.00 0.00 O ATOM 538 CB ARG A 46 -11.976 -7.560 6.175 1.00 0.00 C ATOM 539 CG ARG A 46 -11.063 -8.729 5.814 1.00 0.00 C ATOM 540 CD ARG A 46 -10.195 -8.394 4.619 1.00 0.00 C ATOM 541 NE ARG A 46 -9.152 -9.385 4.380 1.00 0.00 N ATOM 542 CZ ARG A 46 -7.874 -9.077 4.149 1.00 0.00 C ATOM 543 NH1 ARG A 46 -7.483 -7.804 4.166 1.00 0.00 N ATOM 544 NH2 ARG A 46 -6.987 -10.032 3.909 1.00 0.00 N ATOM 0 H ARG A 46 -12.314 -6.378 3.665 1.00 0.00 H new ATOM 0 HA ARG A 46 -13.811 -8.311 5.331 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.394 -6.640 6.129 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.300 -7.681 7.209 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.432 -8.979 6.667 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.665 -9.610 5.594 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.823 -8.313 3.732 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.734 -7.418 4.773 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.414 -10.371 4.390 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.160 -7.065 4.356 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.506 -7.568 3.990 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.279 -11.009 3.900 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.012 -9.790 3.733 1.00 0.00 H new ATOM 558 N ASP A 47 -13.984 -5.104 5.164 1.00 0.00 N ATOM 559 CA ASP A 47 -14.713 -3.933 5.601 1.00 0.00 C ATOM 560 C ASP A 47 -16.036 -3.820 4.840 1.00 0.00 C ATOM 561 O ASP A 47 -17.048 -3.389 5.397 1.00 0.00 O ATOM 562 CB ASP A 47 -13.850 -2.691 5.402 1.00 0.00 C ATOM 563 CG ASP A 47 -14.266 -1.535 6.276 1.00 0.00 C ATOM 564 OD1 ASP A 47 -14.121 -1.638 7.515 1.00 0.00 O ATOM 565 OD2 ASP A 47 -14.717 -0.518 5.740 1.00 0.00 O ATOM 0 H ASP A 47 -13.424 -4.967 4.323 1.00 0.00 H new ATOM 0 HA ASP A 47 -14.947 -4.023 6.662 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.810 -2.941 5.612 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.900 -2.385 4.357 1.00 0.00 H new ATOM 570 N LEU A 48 -16.010 -4.227 3.552 1.00 0.00 N ATOM 571 CA LEU A 48 -17.208 -4.269 2.660 1.00 0.00 C ATOM 572 C LEU A 48 -17.744 -2.881 2.277 1.00 0.00 C ATOM 573 O LEU A 48 -18.130 -2.653 1.131 1.00 0.00 O ATOM 574 CB LEU A 48 -18.341 -5.133 3.258 1.00 0.00 C ATOM 575 CG LEU A 48 -18.207 -6.661 3.093 1.00 0.00 C ATOM 576 CD1 LEU A 48 -18.150 -7.050 1.624 1.00 0.00 C ATOM 577 CD2 LEU A 48 -16.989 -7.192 3.836 1.00 0.00 C ATOM 0 H LEU A 48 -15.155 -4.539 3.091 1.00 0.00 H new ATOM 0 HA LEU A 48 -16.857 -4.736 1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -18.413 -4.911 4.323 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -19.282 -4.823 2.803 1.00 0.00 H new ATOM 0 HG LEU A 48 -19.094 -7.117 3.532 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -18.056 -8.132 1.538 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -19.063 -6.725 1.126 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -17.290 -6.572 1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -16.922 -8.271 3.700 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.089 -6.720 3.442 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -17.083 -6.965 4.898 1.00 0.00 H new ATOM 589 N LYS A 49 -17.753 -1.968 3.221 1.00 0.00 N ATOM 590 CA LYS A 49 -18.280 -0.621 3.001 1.00 0.00 C ATOM 591 C LYS A 49 -17.279 0.277 2.277 1.00 0.00 C ATOM 592 O LYS A 49 -17.448 1.496 2.223 1.00 0.00 O ATOM 593 CB LYS A 49 -18.691 0.001 4.340 1.00 0.00 C ATOM 594 CG LYS A 49 -17.610 -0.073 5.403 1.00 0.00 C ATOM 595 CD LYS A 49 -18.109 0.404 6.751 1.00 0.00 C ATOM 596 CE LYS A 49 -17.079 0.148 7.845 1.00 0.00 C ATOM 597 NZ LYS A 49 -15.823 0.906 7.620 1.00 0.00 N ATOM 0 H LYS A 49 -17.398 -2.128 4.164 1.00 0.00 H new ATOM 0 HA LYS A 49 -19.155 -0.707 2.357 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -18.959 1.045 4.179 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -19.584 -0.505 4.707 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -17.256 -1.100 5.490 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -16.757 0.533 5.096 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -18.333 1.470 6.702 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -19.040 -0.107 6.998 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -17.501 0.425 8.811 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -16.855 -0.918 7.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -15.158 0.715 8.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -15.396 0.611 6.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -16.033 1.924 7.587 1.00 0.00 H new ATOM 611 N ILE A 50 -16.253 -0.326 1.707 1.00 0.00 N ATOM 612 CA ILE A 50 -15.232 0.410 0.986 1.00 0.00 C ATOM 613 C ILE A 50 -15.557 0.452 -0.501 1.00 0.00 C ATOM 614 O ILE A 50 -15.528 -0.577 -1.178 1.00 0.00 O ATOM 615 CB ILE A 50 -13.842 -0.238 1.165 1.00 0.00 C ATOM 616 CG1 ILE A 50 -13.496 -0.383 2.649 1.00 0.00 C ATOM 617 CG2 ILE A 50 -12.778 0.585 0.441 1.00 0.00 C ATOM 618 CD1 ILE A 50 -13.202 0.922 3.360 1.00 0.00 C ATOM 0 H ILE A 50 -16.104 -1.335 1.730 1.00 0.00 H new ATOM 0 HA ILE A 50 -15.213 1.420 1.394 1.00 0.00 H new ATOM 0 HB ILE A 50 -13.868 -1.236 0.727 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -14.325 -0.878 3.155 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -12.629 -1.036 2.744 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -11.803 0.117 0.575 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -13.015 0.632 -0.622 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -12.756 1.594 0.853 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.967 0.722 4.405 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -12.352 1.412 2.885 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -14.075 1.573 3.302 1.00 0.00 H new ATOM 630 N GLU A 51 -15.875 1.630 -1.006 1.00 0.00 N ATOM 631 CA GLU A 51 -16.169 1.796 -2.418 1.00 0.00 C ATOM 632 C GLU A 51 -14.866 1.977 -3.205 1.00 0.00 C ATOM 633 O GLU A 51 -13.816 2.270 -2.623 1.00 0.00 O ATOM 634 CB GLU A 51 -17.113 2.990 -2.630 1.00 0.00 C ATOM 635 CG GLU A 51 -17.648 3.127 -4.049 1.00 0.00 C ATOM 636 CD GLU A 51 -18.294 1.854 -4.545 1.00 0.00 C ATOM 637 OE1 GLU A 51 -19.463 1.596 -4.198 1.00 0.00 O ATOM 638 OE2 GLU A 51 -17.627 1.091 -5.277 1.00 0.00 O ATOM 0 H GLU A 51 -15.936 2.488 -0.458 1.00 0.00 H new ATOM 0 HA GLU A 51 -16.671 0.901 -2.786 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -17.956 2.897 -1.945 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -16.585 3.906 -2.364 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -18.375 3.938 -4.084 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -16.832 3.402 -4.717 1.00 0.00 H new ATOM 645 N GLN A 52 -14.937 1.794 -4.518 1.00 0.00 N ATOM 646 CA GLN A 52 -13.769 1.919 -5.381 1.00 0.00 C ATOM 647 C GLN A 52 -13.378 3.383 -5.563 1.00 0.00 C ATOM 648 O GLN A 52 -13.713 4.010 -6.567 1.00 0.00 O ATOM 649 CB GLN A 52 -14.042 1.273 -6.742 1.00 0.00 C ATOM 650 CG GLN A 52 -14.579 -0.147 -6.647 1.00 0.00 C ATOM 651 CD GLN A 52 -13.605 -1.112 -5.993 1.00 0.00 C ATOM 652 OE1 GLN A 52 -14.014 -2.051 -5.308 1.00 0.00 O ATOM 653 NE2 GLN A 52 -12.326 -0.908 -6.213 1.00 0.00 N ATOM 0 H GLN A 52 -15.798 1.557 -5.011 1.00 0.00 H new ATOM 0 HA GLN A 52 -12.938 1.400 -4.903 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -14.758 1.887 -7.289 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -13.119 1.265 -7.322 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -15.510 -0.140 -6.079 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -14.819 -0.506 -7.648 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -12.027 -0.119 -6.786 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -11.632 -1.539 -5.811 1.00 0.00 H new ATOM 662 N SER A 53 -12.708 3.928 -4.567 1.00 0.00 N ATOM 663 CA SER A 53 -12.270 5.305 -4.599 1.00 0.00 C ATOM 664 C SER A 53 -10.758 5.399 -4.856 1.00 0.00 C ATOM 665 O SER A 53 -9.954 5.028 -3.998 1.00 0.00 O ATOM 666 CB SER A 53 -12.624 5.979 -3.271 1.00 0.00 C ATOM 667 OG SER A 53 -14.022 5.902 -3.022 1.00 0.00 O ATOM 0 H SER A 53 -12.453 3.428 -3.715 1.00 0.00 H new ATOM 0 HA SER A 53 -12.779 5.816 -5.417 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.078 5.500 -2.458 1.00 0.00 H new ATOM 0 HB3 SER A 53 -12.311 7.023 -3.293 1.00 0.00 H new ATOM 0 HG SER A 53 -14.227 6.337 -2.168 1.00 0.00 H new ATOM 673 N PRO A 54 -10.355 5.887 -6.050 1.00 0.00 N ATOM 674 CA PRO A 54 -8.933 6.055 -6.411 1.00 0.00 C ATOM 675 C PRO A 54 -8.209 7.019 -5.464 1.00 0.00 C ATOM 676 O PRO A 54 -6.990 6.934 -5.280 1.00 0.00 O ATOM 677 CB PRO A 54 -8.986 6.643 -7.826 1.00 0.00 C ATOM 678 CG PRO A 54 -10.334 6.274 -8.344 1.00 0.00 C ATOM 679 CD PRO A 54 -11.248 6.285 -7.155 1.00 0.00 C ATOM 0 HA PRO A 54 -8.384 5.116 -6.348 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -8.851 7.725 -7.810 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -8.195 6.233 -8.454 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -10.669 6.983 -9.101 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -10.316 5.291 -8.814 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.683 7.271 -6.988 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -12.077 5.588 -7.276 1.00 0.00 H new ATOM 687 N GLU A 55 -8.975 7.916 -4.850 1.00 0.00 N ATOM 688 CA GLU A 55 -8.418 8.881 -3.904 1.00 0.00 C ATOM 689 C GLU A 55 -7.919 8.167 -2.657 1.00 0.00 C ATOM 690 O GLU A 55 -6.982 8.614 -2.000 1.00 0.00 O ATOM 691 CB GLU A 55 -9.449 9.933 -3.525 1.00 0.00 C ATOM 692 CG GLU A 55 -9.863 10.829 -4.674 1.00 0.00 C ATOM 693 CD GLU A 55 -10.973 11.769 -4.288 1.00 0.00 C ATOM 694 OE1 GLU A 55 -12.135 11.320 -4.213 1.00 0.00 O ATOM 695 OE2 GLU A 55 -10.694 12.965 -4.051 1.00 0.00 O ATOM 0 H GLU A 55 -9.982 7.996 -4.990 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.580 9.383 -4.388 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.334 9.434 -3.129 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.045 10.551 -2.723 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.002 11.405 -5.012 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.185 10.214 -5.515 1.00 0.00 H new ATOM 702 N LEU A 56 -8.547 7.040 -2.347 1.00 0.00 N ATOM 703 CA LEU A 56 -8.149 6.246 -1.204 1.00 0.00 C ATOM 704 C LEU A 56 -6.841 5.532 -1.514 1.00 0.00 C ATOM 705 O LEU A 56 -5.972 5.413 -0.656 1.00 0.00 O ATOM 706 CB LEU A 56 -9.244 5.233 -0.843 1.00 0.00 C ATOM 707 CG LEU A 56 -8.969 4.355 0.382 1.00 0.00 C ATOM 708 CD1 LEU A 56 -8.816 5.208 1.634 1.00 0.00 C ATOM 709 CD2 LEU A 56 -10.082 3.336 0.567 1.00 0.00 C ATOM 0 H LEU A 56 -9.333 6.660 -2.874 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.003 6.903 -0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.173 5.777 -0.674 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.407 4.583 -1.702 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.033 3.821 0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.621 4.564 2.492 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.984 5.900 1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.733 5.772 1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.870 2.721 1.442 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -11.030 3.855 0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.144 2.701 -0.317 1.00 0.00 H new ATOM 721 N SER A 57 -6.698 5.094 -2.762 1.00 0.00 N ATOM 722 CA SER A 57 -5.489 4.416 -3.205 1.00 0.00 C ATOM 723 C SER A 57 -4.304 5.374 -3.102 1.00 0.00 C ATOM 724 O SER A 57 -3.274 5.048 -2.517 1.00 0.00 O ATOM 725 CB SER A 57 -5.658 3.928 -4.647 1.00 0.00 C ATOM 726 OG SER A 57 -6.855 3.177 -4.789 1.00 0.00 O ATOM 0 H SER A 57 -7.409 5.199 -3.485 1.00 0.00 H new ATOM 0 HA SER A 57 -5.304 3.551 -2.569 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.677 4.782 -5.325 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.803 3.315 -4.931 1.00 0.00 H new ATOM 0 HG SER A 57 -6.944 2.876 -5.717 1.00 0.00 H new ATOM 732 N ALA A 58 -4.465 6.550 -3.700 1.00 0.00 N ATOM 733 CA ALA A 58 -3.468 7.620 -3.620 1.00 0.00 C ATOM 734 C ALA A 58 -2.997 7.863 -2.176 1.00 0.00 C ATOM 735 O ALA A 58 -1.826 8.136 -1.936 1.00 0.00 O ATOM 736 CB ALA A 58 -4.035 8.903 -4.207 1.00 0.00 C ATOM 0 H ALA A 58 -5.287 6.791 -4.253 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.600 7.305 -4.199 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.287 9.694 -4.144 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.302 8.739 -5.251 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.923 9.198 -3.648 1.00 0.00 H new ATOM 742 N LYS A 59 -3.909 7.740 -1.222 1.00 0.00 N ATOM 743 CA LYS A 59 -3.578 7.980 0.174 1.00 0.00 C ATOM 744 C LYS A 59 -2.796 6.806 0.789 1.00 0.00 C ATOM 745 O LYS A 59 -1.817 7.018 1.514 1.00 0.00 O ATOM 746 CB LYS A 59 -4.849 8.280 0.977 1.00 0.00 C ATOM 747 CG LYS A 59 -4.586 8.794 2.384 1.00 0.00 C ATOM 748 CD LYS A 59 -5.793 9.537 2.943 1.00 0.00 C ATOM 749 CE LYS A 59 -6.976 8.613 3.196 1.00 0.00 C ATOM 750 NZ LYS A 59 -6.710 7.660 4.300 1.00 0.00 N ATOM 0 H LYS A 59 -4.880 7.476 -1.389 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.925 8.852 0.217 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.442 9.018 0.437 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.450 7.372 1.039 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.338 7.958 3.037 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.722 9.458 2.374 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.514 10.029 3.875 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.090 10.320 2.245 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.857 9.209 3.436 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.204 8.059 2.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.594 7.179 4.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.012 6.955 3.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.338 8.176 5.122 1.00 0.00 H new ATOM 764 N VAL A 60 -3.234 5.574 0.501 1.00 0.00 N ATOM 765 CA VAL A 60 -2.559 4.365 1.025 1.00 0.00 C ATOM 766 C VAL A 60 -1.094 4.254 0.559 1.00 0.00 C ATOM 767 O VAL A 60 -0.314 3.521 1.139 1.00 0.00 O ATOM 768 CB VAL A 60 -3.314 3.034 0.707 1.00 0.00 C ATOM 769 CG1 VAL A 60 -4.793 3.150 1.027 1.00 0.00 C ATOM 770 CG2 VAL A 60 -3.095 2.582 -0.729 1.00 0.00 C ATOM 0 H VAL A 60 -4.045 5.382 -0.086 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.573 4.500 2.107 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.890 2.265 1.353 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.290 2.208 0.795 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.920 3.376 2.086 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.233 3.949 0.430 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.638 1.653 -0.905 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.459 3.350 -1.412 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.031 2.418 -0.901 1.00 0.00 H new ATOM 780 N VAL A 61 -0.729 4.966 -0.491 1.00 0.00 N ATOM 781 CA VAL A 61 0.651 4.926 -0.963 1.00 0.00 C ATOM 782 C VAL A 61 1.420 6.169 -0.503 1.00 0.00 C ATOM 783 O VAL A 61 2.640 6.143 -0.352 1.00 0.00 O ATOM 784 CB VAL A 61 0.735 4.781 -2.509 1.00 0.00 C ATOM 785 CG1 VAL A 61 0.168 6.001 -3.222 1.00 0.00 C ATOM 786 CG2 VAL A 61 2.166 4.501 -2.958 1.00 0.00 C ATOM 0 H VAL A 61 -1.352 5.570 -1.028 1.00 0.00 H new ATOM 0 HA VAL A 61 1.113 4.042 -0.524 1.00 0.00 H new ATOM 0 HB VAL A 61 0.120 3.926 -2.788 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.245 5.861 -4.300 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.879 6.130 -2.947 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.731 6.887 -2.930 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.194 4.404 -4.043 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.812 5.323 -2.650 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.516 3.575 -2.502 1.00 0.00 H new ATOM 796 N GLU A 62 0.691 7.239 -0.256 1.00 0.00 N ATOM 797 CA GLU A 62 1.290 8.494 0.164 1.00 0.00 C ATOM 798 C GLU A 62 1.587 8.517 1.665 1.00 0.00 C ATOM 799 O GLU A 62 2.743 8.593 2.083 1.00 0.00 O ATOM 800 CB GLU A 62 0.368 9.657 -0.186 1.00 0.00 C ATOM 801 CG GLU A 62 0.898 11.008 0.252 1.00 0.00 C ATOM 802 CD GLU A 62 -0.156 12.077 0.200 1.00 0.00 C ATOM 803 OE1 GLU A 62 -0.908 12.221 1.191 1.00 0.00 O ATOM 804 OE2 GLU A 62 -0.252 12.779 -0.819 1.00 0.00 O ATOM 0 H GLU A 62 -0.325 7.266 -0.339 1.00 0.00 H new ATOM 0 HA GLU A 62 2.236 8.593 -0.368 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.209 9.671 -1.264 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.604 9.490 0.277 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.286 10.932 1.268 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.733 11.293 -0.387 1.00 0.00 H new ATOM 811 N LYS A 63 0.535 8.430 2.470 1.00 0.00 N ATOM 812 CA LYS A 63 0.669 8.581 3.907 1.00 0.00 C ATOM 813 C LYS A 63 1.195 7.318 4.569 1.00 0.00 C ATOM 814 O LYS A 63 2.062 7.379 5.425 1.00 0.00 O ATOM 815 CB LYS A 63 -0.664 9.021 4.525 1.00 0.00 C ATOM 816 CG LYS A 63 -1.080 10.429 4.103 1.00 0.00 C ATOM 817 CD LYS A 63 -2.392 10.850 4.746 1.00 0.00 C ATOM 818 CE LYS A 63 -2.713 12.315 4.458 1.00 0.00 C ATOM 819 NZ LYS A 63 -2.866 12.590 3.002 1.00 0.00 N ATOM 0 H LYS A 63 -0.417 8.256 2.149 1.00 0.00 H new ATOM 0 HA LYS A 63 1.409 9.360 4.090 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.443 8.316 4.236 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.585 8.981 5.611 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.298 11.136 4.378 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.178 10.469 3.018 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.199 10.220 4.373 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.337 10.694 5.823 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.632 12.591 4.975 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.919 12.944 4.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.278 13.535 2.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.934 12.550 2.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.492 11.876 2.578 1.00 0.00 H new ATOM 833 N LEU A 64 0.639 6.197 4.196 1.00 0.00 N ATOM 834 CA LEU A 64 1.101 4.906 4.704 1.00 0.00 C ATOM 835 C LEU A 64 2.638 4.763 4.601 1.00 0.00 C ATOM 836 O LEU A 64 3.283 4.245 5.519 1.00 0.00 O ATOM 837 CB LEU A 64 0.417 3.775 3.953 1.00 0.00 C ATOM 838 CG LEU A 64 0.827 2.362 4.343 1.00 0.00 C ATOM 839 CD1 LEU A 64 0.439 2.070 5.787 1.00 0.00 C ATOM 840 CD2 LEU A 64 0.200 1.356 3.396 1.00 0.00 C ATOM 0 H LEU A 64 -0.139 6.138 3.539 1.00 0.00 H new ATOM 0 HA LEU A 64 0.836 4.852 5.760 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.659 3.871 4.096 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.610 3.906 2.888 1.00 0.00 H new ATOM 0 HG LEU A 64 1.911 2.277 4.265 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.740 1.055 6.047 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.939 2.778 6.448 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.641 2.168 5.901 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.500 0.349 3.684 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.886 1.439 3.444 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.535 1.557 2.378 1.00 0.00 H new ATOM 852 N ASN A 65 3.211 5.246 3.498 1.00 0.00 N ATOM 853 CA ASN A 65 4.663 5.135 3.257 1.00 0.00 C ATOM 854 C ASN A 65 5.490 5.789 4.359 1.00 0.00 C ATOM 855 O ASN A 65 6.361 5.158 4.932 1.00 0.00 O ATOM 856 CB ASN A 65 5.045 5.751 1.910 1.00 0.00 C ATOM 857 CG ASN A 65 6.547 5.694 1.662 1.00 0.00 C ATOM 858 OD1 ASN A 65 7.217 4.744 2.061 1.00 0.00 O ATOM 859 ND2 ASN A 65 7.082 6.718 1.026 1.00 0.00 N ATOM 0 H ASN A 65 2.698 5.719 2.754 1.00 0.00 H new ATOM 0 HA ASN A 65 4.888 4.069 3.251 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.525 5.224 1.110 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.711 6.788 1.878 1.00 0.00 H new ATOM 0 HD21 ASN A 65 8.086 6.740 0.849 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.491 7.488 0.711 1.00 0.00 H new ATOM 866 N GLN A 66 5.230 7.067 4.601 1.00 0.00 N ATOM 867 CA GLN A 66 5.952 7.839 5.634 1.00 0.00 C ATOM 868 C GLN A 66 6.108 7.038 6.954 1.00 0.00 C ATOM 869 O GLN A 66 7.141 7.127 7.616 1.00 0.00 O ATOM 870 CB GLN A 66 5.284 9.197 5.884 1.00 0.00 C ATOM 871 CG GLN A 66 4.013 9.129 6.693 1.00 0.00 C ATOM 872 CD GLN A 66 3.076 10.269 6.390 1.00 0.00 C ATOM 873 OE1 GLN A 66 3.502 11.370 6.050 1.00 0.00 O ATOM 874 NE2 GLN A 66 1.796 10.008 6.498 1.00 0.00 N ATOM 0 H GLN A 66 4.523 7.604 4.099 1.00 0.00 H new ATOM 0 HA GLN A 66 6.955 8.026 5.251 1.00 0.00 H new ATOM 0 HB2 GLN A 66 5.992 9.847 6.398 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.064 9.662 4.923 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.508 8.184 6.492 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.261 9.138 7.754 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.487 9.079 6.784 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.109 10.734 6.296 1.00 0.00 H new ATOM 883 N VAL A 67 5.076 6.267 7.321 1.00 0.00 N ATOM 884 CA VAL A 67 5.138 5.391 8.502 1.00 0.00 C ATOM 885 C VAL A 67 6.188 4.286 8.304 1.00 0.00 C ATOM 886 O VAL A 67 7.018 4.035 9.185 1.00 0.00 O ATOM 887 CB VAL A 67 3.773 4.726 8.783 1.00 0.00 C ATOM 888 CG1 VAL A 67 3.798 3.971 10.105 1.00 0.00 C ATOM 889 CG2 VAL A 67 2.651 5.756 8.768 1.00 0.00 C ATOM 0 H VAL A 67 4.189 6.231 6.819 1.00 0.00 H new ATOM 0 HA VAL A 67 5.413 6.018 9.350 1.00 0.00 H new ATOM 0 HB VAL A 67 3.580 4.007 7.987 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.825 3.512 10.280 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.564 3.196 10.067 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.023 4.664 10.916 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.701 5.262 8.969 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.837 6.508 9.534 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.611 6.236 7.790 1.00 0.00 H new ATOM 899 N CYS A 68 6.140 3.640 7.147 1.00 0.00 N ATOM 900 CA CYS A 68 7.094 2.586 6.802 1.00 0.00 C ATOM 901 C CYS A 68 8.499 3.166 6.721 1.00 0.00 C ATOM 902 O CYS A 68 9.463 2.537 7.122 1.00 0.00 O ATOM 903 CB CYS A 68 6.735 1.959 5.461 1.00 0.00 C ATOM 904 SG CYS A 68 5.041 1.297 5.357 1.00 0.00 S ATOM 0 H CYS A 68 5.446 3.827 6.424 1.00 0.00 H new ATOM 0 HA CYS A 68 7.055 1.820 7.577 1.00 0.00 H new ATOM 0 HB2 CYS A 68 6.866 2.707 4.679 1.00 0.00 H new ATOM 0 HB3 CYS A 68 7.439 1.153 5.253 1.00 0.00 H new ATOM 909 N ALA A 69 8.594 4.373 6.182 1.00 0.00 N ATOM 910 CA ALA A 69 9.862 5.090 6.069 1.00 0.00 C ATOM 911 C ALA A 69 10.514 5.323 7.439 1.00 0.00 C ATOM 912 O ALA A 69 11.696 5.658 7.522 1.00 0.00 O ATOM 913 CB ALA A 69 9.650 6.411 5.348 1.00 0.00 C ATOM 0 H ALA A 69 7.795 4.886 5.809 1.00 0.00 H new ATOM 0 HA ALA A 69 10.544 4.469 5.489 1.00 0.00 H new ATOM 0 HB1 ALA A 69 10.600 6.939 5.268 1.00 0.00 H new ATOM 0 HB2 ALA A 69 9.255 6.221 4.350 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.942 7.022 5.908 1.00 0.00 H new ATOM 919 N LYS A 70 9.741 5.149 8.505 1.00 0.00 N ATOM 920 CA LYS A 70 10.261 5.296 9.856 1.00 0.00 C ATOM 921 C LYS A 70 10.857 3.985 10.332 1.00 0.00 C ATOM 922 O LYS A 70 11.839 3.968 11.080 1.00 0.00 O ATOM 923 CB LYS A 70 9.163 5.741 10.815 1.00 0.00 C ATOM 924 CG LYS A 70 8.571 7.091 10.485 1.00 0.00 C ATOM 925 CD LYS A 70 7.485 7.466 11.467 1.00 0.00 C ATOM 926 CE LYS A 70 6.886 8.813 11.127 1.00 0.00 C ATOM 927 NZ LYS A 70 5.849 9.221 12.103 1.00 0.00 N ATOM 0 H LYS A 70 8.752 4.906 8.458 1.00 0.00 H new ATOM 0 HA LYS A 70 11.038 6.060 9.840 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.367 4.996 10.812 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.568 5.770 11.827 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.355 7.848 10.499 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.162 7.075 9.475 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.705 6.705 11.459 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.896 7.491 12.476 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.675 9.565 11.101 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.449 8.774 10.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.464 10.149 11.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.083 8.518 12.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.271 9.283 13.052 1.00 0.00 H new ATOM 941 N ASP A 71 10.269 2.885 9.889 1.00 0.00 N ATOM 942 CA ASP A 71 10.743 1.552 10.258 1.00 0.00 C ATOM 943 C ASP A 71 10.741 0.648 9.029 1.00 0.00 C ATOM 944 O ASP A 71 9.701 0.114 8.642 1.00 0.00 O ATOM 945 CB ASP A 71 9.877 0.938 11.369 1.00 0.00 C ATOM 946 CG ASP A 71 9.946 1.717 12.671 1.00 0.00 C ATOM 947 OD1 ASP A 71 10.952 1.582 13.405 1.00 0.00 O ATOM 948 OD2 ASP A 71 8.984 2.462 12.978 1.00 0.00 O ATOM 0 H ASP A 71 9.458 2.885 9.270 1.00 0.00 H new ATOM 0 HA ASP A 71 11.759 1.644 10.641 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.841 0.894 11.033 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.198 -0.088 11.548 1.00 0.00 H new ATOM 953 N PRO A 72 11.919 0.476 8.397 1.00 0.00 N ATOM 954 CA PRO A 72 12.074 -0.305 7.143 1.00 0.00 C ATOM 955 C PRO A 72 11.586 -1.755 7.242 1.00 0.00 C ATOM 956 O PRO A 72 11.443 -2.433 6.230 1.00 0.00 O ATOM 957 CB PRO A 72 13.586 -0.273 6.891 1.00 0.00 C ATOM 958 CG PRO A 72 14.057 0.940 7.610 1.00 0.00 C ATOM 959 CD PRO A 72 13.206 1.040 8.839 1.00 0.00 C ATOM 0 HA PRO A 72 11.469 0.123 6.344 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.071 -1.173 7.270 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.810 -0.215 5.826 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.112 0.856 7.870 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.952 1.829 6.988 1.00 0.00 H new ATOM 0 HD2 PRO A 72 13.630 0.476 9.670 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.101 2.072 9.174 1.00 0.00 H new ATOM 967 N GLN A 73 11.356 -2.233 8.457 1.00 0.00 N ATOM 968 CA GLN A 73 10.864 -3.592 8.673 1.00 0.00 C ATOM 969 C GLN A 73 9.411 -3.739 8.224 1.00 0.00 C ATOM 970 O GLN A 73 8.898 -4.850 8.127 1.00 0.00 O ATOM 971 CB GLN A 73 10.963 -3.938 10.150 1.00 0.00 C ATOM 972 CG GLN A 73 12.323 -3.666 10.744 1.00 0.00 C ATOM 973 CD GLN A 73 12.323 -3.756 12.247 1.00 0.00 C ATOM 974 OE1 GLN A 73 11.574 -4.530 12.840 1.00 0.00 O ATOM 975 NE2 GLN A 73 13.134 -2.948 12.867 1.00 0.00 N ATOM 0 H GLN A 73 11.502 -1.699 9.314 1.00 0.00 H new ATOM 0 HA GLN A 73 11.478 -4.270 8.080 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.215 -3.367 10.699 1.00 0.00 H new ATOM 0 HB3 GLN A 73 10.721 -4.992 10.285 1.00 0.00 H new ATOM 0 HG2 GLN A 73 13.042 -4.379 10.340 1.00 0.00 H new ATOM 0 HG3 GLN A 73 12.656 -2.673 10.442 1.00 0.00 H new ATOM 0 HE21 GLN A 73 13.738 -2.323 12.333 1.00 0.00 H new ATOM 0 HE22 GLN A 73 13.166 -2.940 13.886 1.00 0.00 H new ATOM 984 N MET A 74 8.755 -2.620 7.972 1.00 0.00 N ATOM 985 CA MET A 74 7.357 -2.633 7.549 1.00 0.00 C ATOM 986 C MET A 74 7.219 -2.993 6.071 1.00 0.00 C ATOM 987 O MET A 74 7.539 -2.189 5.189 1.00 0.00 O ATOM 988 CB MET A 74 6.695 -1.278 7.818 1.00 0.00 C ATOM 989 CG MET A 74 6.537 -0.942 9.294 1.00 0.00 C ATOM 990 SD MET A 74 5.484 -2.119 10.176 1.00 0.00 S ATOM 991 CE MET A 74 3.928 -1.915 9.305 1.00 0.00 C ATOM 0 H MET A 74 9.164 -1.689 8.052 1.00 0.00 H new ATOM 0 HA MET A 74 6.850 -3.400 8.135 1.00 0.00 H new ATOM 0 HB2 MET A 74 7.286 -0.497 7.340 1.00 0.00 H new ATOM 0 HB3 MET A 74 5.712 -1.267 7.347 1.00 0.00 H new ATOM 0 HG2 MET A 74 7.520 -0.920 9.763 1.00 0.00 H new ATOM 0 HG3 MET A 74 6.115 0.058 9.390 1.00 0.00 H new ATOM 0 HE1 MET A 74 3.104 -1.956 10.017 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.920 -0.951 8.796 1.00 0.00 H new ATOM 0 HE3 MET A 74 3.814 -2.713 8.572 1.00 0.00 H new ATOM 1001 N LEU A 75 6.748 -4.209 5.805 1.00 0.00 N ATOM 1002 CA LEU A 75 6.520 -4.662 4.435 1.00 0.00 C ATOM 1003 C LEU A 75 5.268 -4.001 3.881 1.00 0.00 C ATOM 1004 O LEU A 75 4.332 -3.711 4.630 1.00 0.00 O ATOM 1005 CB LEU A 75 6.373 -6.199 4.358 1.00 0.00 C ATOM 1006 CG LEU A 75 7.630 -7.044 4.655 1.00 0.00 C ATOM 1007 CD1 LEU A 75 8.834 -6.540 3.878 1.00 0.00 C ATOM 1008 CD2 LEU A 75 7.922 -7.100 6.147 1.00 0.00 C ATOM 0 H LEU A 75 6.517 -4.899 6.520 1.00 0.00 H new ATOM 0 HA LEU A 75 7.388 -4.378 3.839 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.592 -6.499 5.056 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.022 -6.455 3.358 1.00 0.00 H new ATOM 0 HG LEU A 75 7.425 -8.061 4.321 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.702 -7.157 4.111 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.626 -6.594 2.809 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.039 -5.506 4.156 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.813 -7.703 6.321 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.087 -6.091 6.524 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.075 -7.547 6.667 1.00 0.00 H new ATOM 1020 N LEU A 76 5.238 -3.781 2.573 1.00 0.00 N ATOM 1021 CA LEU A 76 4.101 -3.118 1.940 1.00 0.00 C ATOM 1022 C LEU A 76 2.832 -3.956 2.072 1.00 0.00 C ATOM 1023 O LEU A 76 1.747 -3.419 2.291 1.00 0.00 O ATOM 1024 CB LEU A 76 4.391 -2.826 0.464 1.00 0.00 C ATOM 1025 CG LEU A 76 3.293 -2.068 -0.293 1.00 0.00 C ATOM 1026 CD1 LEU A 76 3.087 -0.678 0.295 1.00 0.00 C ATOM 1027 CD2 LEU A 76 3.629 -1.977 -1.774 1.00 0.00 C ATOM 0 H LEU A 76 5.983 -4.050 1.931 1.00 0.00 H new ATOM 0 HA LEU A 76 3.942 -2.171 2.457 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.314 -2.250 0.401 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.571 -3.772 -0.046 1.00 0.00 H new ATOM 0 HG LEU A 76 2.362 -2.624 -0.184 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.304 -0.161 -0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.794 -0.765 1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.016 -0.112 0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.838 -1.436 -2.294 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.574 -1.449 -1.901 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.716 -2.981 -2.190 1.00 0.00 H new ATOM 1039 N ILE A 77 2.979 -5.275 1.962 1.00 0.00 N ATOM 1040 CA ILE A 77 1.846 -6.184 2.074 1.00 0.00 C ATOM 1041 C ILE A 77 1.143 -6.017 3.437 1.00 0.00 C ATOM 1042 O ILE A 77 -0.085 -5.959 3.513 1.00 0.00 O ATOM 1043 CB ILE A 77 2.283 -7.672 1.866 1.00 0.00 C ATOM 1044 CG1 ILE A 77 1.071 -8.603 1.809 1.00 0.00 C ATOM 1045 CG2 ILE A 77 3.264 -8.129 2.939 1.00 0.00 C ATOM 1046 CD1 ILE A 77 0.253 -8.453 0.544 1.00 0.00 C ATOM 0 H ILE A 77 3.874 -5.736 1.795 1.00 0.00 H new ATOM 0 HA ILE A 77 1.141 -5.927 1.284 1.00 0.00 H new ATOM 0 HB ILE A 77 2.797 -7.723 0.906 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.412 -9.635 1.892 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.432 -8.408 2.670 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.543 -9.167 2.759 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.156 -7.503 2.907 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.796 -8.044 3.920 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.590 -9.143 0.572 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.118 -7.431 0.469 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.877 -8.677 -0.321 1.00 0.00 H new ATOM 1058 N THR A 78 1.936 -5.912 4.493 1.00 0.00 N ATOM 1059 CA THR A 78 1.422 -5.738 5.832 1.00 0.00 C ATOM 1060 C THR A 78 0.906 -4.314 6.036 1.00 0.00 C ATOM 1061 O THR A 78 -0.131 -4.104 6.658 1.00 0.00 O ATOM 1062 CB THR A 78 2.525 -6.028 6.863 1.00 0.00 C ATOM 1063 OG1 THR A 78 3.148 -7.284 6.553 1.00 0.00 O ATOM 1064 CG2 THR A 78 1.950 -6.077 8.270 1.00 0.00 C ATOM 0 H THR A 78 2.954 -5.946 4.439 1.00 0.00 H new ATOM 0 HA THR A 78 0.597 -6.437 5.970 1.00 0.00 H new ATOM 0 HB THR A 78 3.263 -5.227 6.820 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.853 -7.470 7.208 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.749 -6.284 8.982 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.490 -5.118 8.509 1.00 0.00 H new ATOM 0 HG23 THR A 78 1.199 -6.865 8.329 1.00 0.00 H new ATOM 1072 N ALA A 79 1.639 -3.352 5.499 1.00 0.00 N ATOM 1073 CA ALA A 79 1.289 -1.944 5.620 1.00 0.00 C ATOM 1074 C ALA A 79 -0.115 -1.663 5.082 1.00 0.00 C ATOM 1075 O ALA A 79 -0.951 -1.075 5.779 1.00 0.00 O ATOM 1076 CB ALA A 79 2.315 -1.094 4.903 1.00 0.00 C ATOM 0 H ALA A 79 2.492 -3.524 4.967 1.00 0.00 H new ATOM 0 HA ALA A 79 1.288 -1.686 6.679 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.046 -0.042 4.998 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.297 -1.259 5.345 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.341 -1.368 3.848 1.00 0.00 H new ATOM 1082 N ILE A 80 -0.376 -2.085 3.844 1.00 0.00 N ATOM 1083 CA ILE A 80 -1.687 -1.892 3.228 1.00 0.00 C ATOM 1084 C ILE A 80 -2.765 -2.592 4.054 1.00 0.00 C ATOM 1085 O ILE A 80 -3.876 -2.077 4.228 1.00 0.00 O ATOM 1086 CB ILE A 80 -1.717 -2.433 1.779 1.00 0.00 C ATOM 1087 CG1 ILE A 80 -0.618 -1.779 0.938 1.00 0.00 C ATOM 1088 CG2 ILE A 80 -3.080 -2.190 1.148 1.00 0.00 C ATOM 1089 CD1 ILE A 80 -0.532 -2.313 -0.480 1.00 0.00 C ATOM 0 H ILE A 80 0.303 -2.562 3.250 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.883 -0.820 3.199 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.535 -3.507 1.811 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.793 -0.704 0.901 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.342 -1.929 1.432 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.083 -2.577 0.129 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.847 -2.699 1.732 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -3.287 -1.120 1.131 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.269 -1.802 -1.013 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.325 -3.383 -0.454 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.478 -2.139 -0.993 1.00 0.00 H new ATOM 1101 N ASP A 81 -2.421 -3.759 4.577 1.00 0.00 N ATOM 1102 CA ASP A 81 -3.326 -4.528 5.417 1.00 0.00 C ATOM 1103 C ASP A 81 -3.677 -3.740 6.682 1.00 0.00 C ATOM 1104 O ASP A 81 -4.838 -3.695 7.102 1.00 0.00 O ATOM 1105 CB ASP A 81 -2.693 -5.873 5.778 1.00 0.00 C ATOM 1106 CG ASP A 81 -3.550 -6.687 6.726 1.00 0.00 C ATOM 1107 OD1 ASP A 81 -4.580 -7.234 6.284 1.00 0.00 O ATOM 1108 OD2 ASP A 81 -3.193 -6.789 7.917 1.00 0.00 O ATOM 0 H ASP A 81 -1.512 -4.198 4.432 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.246 -4.715 4.864 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.522 -6.446 4.867 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.718 -5.700 6.234 1.00 0.00 H new ATOM 1113 N ASP A 82 -2.671 -3.097 7.267 1.00 0.00 N ATOM 1114 CA ASP A 82 -2.871 -2.281 8.465 1.00 0.00 C ATOM 1115 C ASP A 82 -3.630 -1.002 8.145 1.00 0.00 C ATOM 1116 O ASP A 82 -4.184 -0.360 9.040 1.00 0.00 O ATOM 1117 CB ASP A 82 -1.541 -1.936 9.145 1.00 0.00 C ATOM 1118 CG ASP A 82 -0.980 -3.075 9.972 1.00 0.00 C ATOM 1119 OD1 ASP A 82 -1.778 -3.863 10.537 1.00 0.00 O ATOM 1120 OD2 ASP A 82 0.258 -3.172 10.092 1.00 0.00 O ATOM 0 H ASP A 82 -1.708 -3.124 6.932 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.466 -2.879 9.155 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.813 -1.656 8.384 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.683 -1.066 9.786 1.00 0.00 H new ATOM 1125 N THR A 83 -3.675 -0.632 6.872 1.00 0.00 N ATOM 1126 CA THR A 83 -4.393 0.557 6.469 1.00 0.00 C ATOM 1127 C THR A 83 -5.893 0.299 6.577 1.00 0.00 C ATOM 1128 O THR A 83 -6.656 1.167 6.999 1.00 0.00 O ATOM 1129 CB THR A 83 -4.029 0.983 5.033 1.00 0.00 C ATOM 1130 OG1 THR A 83 -2.606 0.993 4.887 1.00 0.00 O ATOM 1131 CG2 THR A 83 -4.559 2.381 4.729 1.00 0.00 C ATOM 0 H THR A 83 -3.224 -1.138 6.110 1.00 0.00 H new ATOM 0 HA THR A 83 -4.107 1.373 7.133 1.00 0.00 H new ATOM 0 HB THR A 83 -4.481 0.272 4.341 1.00 0.00 H new ATOM 0 HG1 THR A 83 -2.247 0.112 5.122 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.289 2.659 3.710 1.00 0.00 H new ATOM 0 HG22 THR A 83 -5.644 2.389 4.832 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.123 3.095 5.427 1.00 0.00 H new ATOM 1139 N MET A 84 -6.308 -0.922 6.210 1.00 0.00 N ATOM 1140 CA MET A 84 -7.708 -1.324 6.354 1.00 0.00 C ATOM 1141 C MET A 84 -8.091 -1.285 7.825 1.00 0.00 C ATOM 1142 O MET A 84 -9.200 -0.896 8.184 1.00 0.00 O ATOM 1143 CB MET A 84 -7.927 -2.737 5.809 1.00 0.00 C ATOM 1144 CG MET A 84 -9.378 -3.205 5.889 1.00 0.00 C ATOM 1145 SD MET A 84 -9.568 -4.956 5.529 1.00 0.00 S ATOM 1146 CE MET A 84 -8.813 -5.650 6.988 1.00 0.00 C ATOM 0 H MET A 84 -5.699 -1.639 5.816 1.00 0.00 H new ATOM 0 HA MET A 84 -8.331 -0.633 5.785 1.00 0.00 H new ATOM 0 HB2 MET A 84 -7.600 -2.771 4.770 1.00 0.00 H new ATOM 0 HB3 MET A 84 -7.298 -3.433 6.364 1.00 0.00 H new ATOM 0 HG2 MET A 84 -9.766 -3.000 6.887 1.00 0.00 H new ATOM 0 HG3 MET A 84 -9.980 -2.627 5.188 1.00 0.00 H new ATOM 0 HE1 MET A 84 -9.186 -6.662 7.144 1.00 0.00 H new ATOM 0 HE2 MET A 84 -7.731 -5.678 6.860 1.00 0.00 H new ATOM 0 HE3 MET A 84 -9.060 -5.035 7.853 1.00 0.00 H new ATOM 1156 N ARG A 85 -7.150 -1.698 8.663 1.00 0.00 N ATOM 1157 CA ARG A 85 -7.306 -1.669 10.108 1.00 0.00 C ATOM 1158 C ARG A 85 -7.530 -0.232 10.600 1.00 0.00 C ATOM 1159 O ARG A 85 -8.415 0.021 11.415 1.00 0.00 O ATOM 1160 CB ARG A 85 -6.057 -2.288 10.747 1.00 0.00 C ATOM 1161 CG ARG A 85 -5.754 -1.833 12.160 1.00 0.00 C ATOM 1162 CD ARG A 85 -4.427 -2.405 12.623 1.00 0.00 C ATOM 1163 NE ARG A 85 -3.860 -1.657 13.741 1.00 0.00 N ATOM 1164 CZ ARG A 85 -2.587 -1.758 14.133 1.00 0.00 C ATOM 1165 NH1 ARG A 85 -1.758 -2.591 13.508 1.00 0.00 N ATOM 1166 NH2 ARG A 85 -2.145 -1.025 15.145 1.00 0.00 N ATOM 0 H ARG A 85 -6.250 -2.065 8.355 1.00 0.00 H new ATOM 0 HA ARG A 85 -8.183 -2.248 10.398 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.171 -3.372 10.749 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -5.197 -2.059 10.118 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -5.722 -0.744 12.200 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -6.550 -2.154 12.832 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -4.566 -3.445 12.918 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -3.722 -2.401 11.791 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.471 -1.020 14.252 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -2.094 -3.155 12.727 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -0.787 -2.666 13.810 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -2.777 -0.384 15.625 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -1.173 -1.102 15.444 1.00 0.00 H new ATOM 1180 N ALA A 86 -6.713 0.695 10.102 1.00 0.00 N ATOM 1181 CA ALA A 86 -6.854 2.110 10.437 1.00 0.00 C ATOM 1182 C ALA A 86 -8.241 2.629 10.046 1.00 0.00 C ATOM 1183 O ALA A 86 -8.878 3.361 10.803 1.00 0.00 O ATOM 1184 CB ALA A 86 -5.768 2.929 9.753 1.00 0.00 C ATOM 0 H ALA A 86 -5.945 0.490 9.463 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.743 2.216 11.516 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.887 3.981 10.013 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.789 2.583 10.083 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.849 2.811 8.672 1.00 0.00 H new ATOM 1190 N ILE A 87 -8.704 2.237 8.861 1.00 0.00 N ATOM 1191 CA ILE A 87 -10.033 2.629 8.388 1.00 0.00 C ATOM 1192 C ILE A 87 -11.111 1.962 9.239 1.00 0.00 C ATOM 1193 O ILE A 87 -12.174 2.533 9.480 1.00 0.00 O ATOM 1194 CB ILE A 87 -10.237 2.240 6.905 1.00 0.00 C ATOM 1195 CG1 ILE A 87 -9.151 2.878 6.039 1.00 0.00 C ATOM 1196 CG2 ILE A 87 -11.623 2.666 6.422 1.00 0.00 C ATOM 1197 CD1 ILE A 87 -9.187 2.430 4.597 1.00 0.00 C ATOM 0 H ILE A 87 -8.181 1.650 8.211 1.00 0.00 H new ATOM 0 HA ILE A 87 -10.112 3.712 8.477 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.163 1.156 6.818 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -9.258 3.962 6.077 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -8.175 2.639 6.461 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -11.747 2.383 5.377 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -12.386 2.172 7.024 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -11.726 3.747 6.520 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.388 2.923 4.043 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -9.049 1.350 4.548 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -10.149 2.693 4.158 1.00 0.00 H new ATOM 1209 N GLY A 88 -10.811 0.751 9.701 1.00 0.00 N ATOM 1210 CA GLY A 88 -11.722 0.008 10.559 1.00 0.00 C ATOM 1211 C GLY A 88 -11.961 0.691 11.896 1.00 0.00 C ATOM 1212 O GLY A 88 -12.811 0.262 12.682 1.00 0.00 O ATOM 0 H GLY A 88 -9.939 0.264 9.493 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.675 -0.119 10.046 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -11.318 -0.989 10.733 1.00 0.00 H new ATOM 1216 N LYS A 89 -11.213 1.744 12.153 1.00 0.00 N ATOM 1217 CA LYS A 89 -11.373 2.507 13.368 1.00 0.00 C ATOM 1218 C LYS A 89 -12.481 3.527 13.192 1.00 0.00 C ATOM 1219 O LYS A 89 -12.404 4.386 12.313 1.00 0.00 O ATOM 1220 CB LYS A 89 -10.065 3.192 13.765 1.00 0.00 C ATOM 1221 CG LYS A 89 -9.013 2.235 14.305 1.00 0.00 C ATOM 1222 CD LYS A 89 -9.462 1.607 15.618 1.00 0.00 C ATOM 1223 CE LYS A 89 -8.426 0.642 16.162 1.00 0.00 C ATOM 1224 NZ LYS A 89 -8.166 -0.474 15.225 1.00 0.00 N ATOM 0 H LYS A 89 -10.484 2.091 11.530 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.645 1.824 14.173 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.659 3.712 12.897 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.276 3.949 14.520 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.819 1.452 13.572 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.075 2.769 14.456 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -9.649 2.391 16.351 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -10.405 1.081 15.466 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.497 1.178 16.355 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.768 0.242 17.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -7.629 -1.219 15.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.070 -0.862 14.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -7.616 -0.126 14.414 1.00 0.00 H new ATOM 1238 N LYS A 90 -13.508 3.402 14.031 1.00 0.00 N ATOM 1239 CA LYS A 90 -14.694 4.256 13.996 1.00 0.00 C ATOM 1240 C LYS A 90 -15.568 3.928 12.790 1.00 0.00 C ATOM 1241 O LYS A 90 -16.548 3.185 12.964 1.00 0.00 O ATOM 1242 CB LYS A 90 -14.338 5.749 14.028 1.00 0.00 C ATOM 1243 CG LYS A 90 -15.558 6.650 14.091 1.00 0.00 C ATOM 1244 CD LYS A 90 -15.176 8.107 14.236 1.00 0.00 C ATOM 1245 CE LYS A 90 -16.407 8.989 14.267 1.00 0.00 C ATOM 1246 NZ LYS A 90 -16.063 10.412 14.462 1.00 0.00 N ATOM 1247 OXT LYS A 90 -15.266 4.394 11.671 1.00 0.00 O ATOM 0 H LYS A 90 -13.540 2.694 14.765 1.00 0.00 H new ATOM 0 HA LYS A 90 -15.264 4.046 14.901 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.703 5.947 14.891 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -13.756 5.997 13.140 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -16.153 6.519 13.187 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -16.185 6.354 14.932 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -14.601 8.247 15.151 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -14.533 8.403 13.407 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -16.959 8.874 13.334 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -17.067 8.662 15.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -16.934 10.981 14.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -15.559 10.527 15.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -15.454 10.732 13.682 1.00 0.00 H new TER 1261 LYS A 90