USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 652 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 27 SER OG : rot -85:sc= 0.0937 USER MOD Set 1.2: A 75 ASN : amide:sc= -1.91! C(o=-1.8!,f=-6.4!) USER MOD Set 2.1: A 53 HIS : no HD1:sc= -3.81! C(o=-5.2!,f=-12!) USER MOD Set 2.2: A 54 ASN : amide:sc= -1.4! K(o=-5.2!,f=-6.2) USER MOD Set 3.1: A 8 TYR OH : rot -97:sc= 0.228 USER MOD Set 3.2: A 50 SER OG : rot 86:sc= 1.21 USER MOD Set 4.1: A 48 GLN :FLIP amide:sc= -7.62! C(o=-16!,f=-14!) USER MOD Set 4.2: A 49 ASN : amide:sc= -6.04! C(o=-14!,f=-21!) USER MOD Set 5.1: A 39 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 43 LYS NZ :NH3+ 164:sc= -0.0497 (180deg=-0.479) USER MOD Set 6.1: A 30 CYS SG : rot 76:sc= 0.189 USER MOD Set 6.2: A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 7.1: A 23 LYS NZ :NH3+ -171:sc= 0.712 (180deg=0.147) USER MOD Set 7.2: A 78 THR OG1 : rot 180:sc= 0.231 USER MOD Single : A 7 SER OG : rot 22:sc= 0.213 USER MOD Single : A 13 THR OG1 : rot -26:sc= -0.377 USER MOD Single : A 14 MET CE :methyl -114:sc= -0.83 (180deg=-2.45) USER MOD Single : A 18 GLN : amide:sc= -3.93! C(o=-3.9!,f=-6.2!) USER MOD Single : A 19 SER OG : rot 6:sc= -0.158 USER MOD Single : A 21 GLN : amide:sc= -0.0205 X(o=-0.02,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -42:sc= 0.0802! USER MOD Single : A 34 SER OG : rot 180:sc= -0.279 USER MOD Single : A 35 ASN : amide:sc= -0.0216 X(o=-0.022,f=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -80:sc= -0.116 USER MOD Single : A 58 ASN : amide:sc= -4.77! C(o=-4.8!,f=-9.9!) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -149:sc= -0.0653 (180deg=-1.37) USER MOD Single : A 70 ASN : amide:sc= -7.01! C(o=-7!,f=-15!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 83 SER OG : rot 180:sc= -0.0146 USER MOD Single : A 86 MET CE :methyl -150:sc= -0.497 (180deg=-2.57!) USER MOD ----------------------------------------------------------------- ATOM 88 N SER A 7 -3.377 -0.930 1.799 1.00 0.00 N ATOM 89 CA SER A 7 -3.483 0.184 0.872 1.00 0.00 C ATOM 90 C SER A 7 -3.925 1.445 1.617 1.00 0.00 C ATOM 91 O SER A 7 -3.622 1.611 2.797 1.00 0.00 O ATOM 92 CB SER A 7 -4.462 -0.134 -0.261 1.00 0.00 C ATOM 93 OG SER A 7 -4.264 -1.444 -0.786 1.00 0.00 O ATOM 0 HA SER A 7 -2.501 0.356 0.431 1.00 0.00 H new ATOM 0 HB2 SER A 7 -5.484 -0.041 0.106 1.00 0.00 H new ATOM 0 HB3 SER A 7 -4.343 0.598 -1.059 1.00 0.00 H new ATOM 0 HG SER A 7 -3.801 -1.996 -0.122 1.00 0.00 H new ATOM 99 N TYR A 8 -4.635 2.301 0.896 1.00 0.00 N ATOM 100 CA TYR A 8 -5.122 3.542 1.474 1.00 0.00 C ATOM 101 C TYR A 8 -6.112 3.268 2.608 1.00 0.00 C ATOM 102 O TYR A 8 -6.024 3.873 3.675 1.00 0.00 O ATOM 103 CB TYR A 8 -5.847 4.277 0.346 1.00 0.00 C ATOM 104 CG TYR A 8 -4.941 4.674 -0.822 1.00 0.00 C ATOM 105 CD1 TYR A 8 -4.205 5.839 -0.759 1.00 0.00 C ATOM 106 CD2 TYR A 8 -4.861 3.866 -1.938 1.00 0.00 C ATOM 107 CE1 TYR A 8 -3.353 6.212 -1.858 1.00 0.00 C ATOM 108 CE2 TYR A 8 -4.008 4.239 -3.037 1.00 0.00 C ATOM 109 CZ TYR A 8 -3.296 5.394 -2.942 1.00 0.00 C ATOM 110 OH TYR A 8 -2.491 5.746 -3.980 1.00 0.00 O ATOM 0 H TYR A 8 -4.884 2.159 -0.083 1.00 0.00 H new ATOM 0 HA TYR A 8 -4.297 4.122 1.888 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -6.650 3.643 -0.030 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -6.313 5.175 0.752 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -4.268 6.471 0.114 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -5.438 2.954 -1.987 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.772 7.122 -1.822 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -3.935 3.616 -3.916 1.00 0.00 H new ATOM 0 HH TYR A 8 -3.023 6.196 -4.669 1.00 0.00 H new ATOM 120 N ILE A 9 -7.034 2.354 2.337 1.00 0.00 N ATOM 121 CA ILE A 9 -8.040 1.992 3.321 1.00 0.00 C ATOM 122 C ILE A 9 -7.399 1.956 4.710 1.00 0.00 C ATOM 123 O ILE A 9 -7.946 2.507 5.664 1.00 0.00 O ATOM 124 CB ILE A 9 -8.728 0.684 2.926 1.00 0.00 C ATOM 125 CG1 ILE A 9 -9.972 0.439 3.783 1.00 0.00 C ATOM 126 CG2 ILE A 9 -7.750 -0.490 2.988 1.00 0.00 C ATOM 127 CD1 ILE A 9 -11.215 0.261 2.908 1.00 0.00 C ATOM 0 H ILE A 9 -7.105 1.854 1.451 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.829 2.743 3.354 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.061 0.772 1.892 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.825 -0.449 4.398 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -10.119 1.277 4.464 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.264 -1.408 2.703 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -6.922 -0.310 2.303 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -7.366 -0.590 4.003 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.085 0.088 3.542 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.373 1.160 2.313 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.074 -0.593 2.245 1.00 0.00 H new ATOM 139 N ALA A 10 -6.250 1.301 4.779 1.00 0.00 N ATOM 140 CA ALA A 10 -5.529 1.186 6.035 1.00 0.00 C ATOM 141 C ALA A 10 -5.227 2.585 6.576 1.00 0.00 C ATOM 142 O ALA A 10 -5.494 2.875 7.741 1.00 0.00 O ATOM 143 CB ALA A 10 -4.260 0.357 5.822 1.00 0.00 C ATOM 0 H ALA A 10 -5.800 0.844 3.986 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.135 0.669 6.779 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.719 0.271 6.764 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.530 -0.637 5.467 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.625 0.846 5.083 1.00 0.00 H new ATOM 149 N LEU A 11 -4.675 3.415 5.703 1.00 0.00 N ATOM 150 CA LEU A 11 -4.334 4.777 6.078 1.00 0.00 C ATOM 151 C LEU A 11 -5.598 5.506 6.538 1.00 0.00 C ATOM 152 O LEU A 11 -5.541 6.351 7.431 1.00 0.00 O ATOM 153 CB LEU A 11 -3.600 5.480 4.935 1.00 0.00 C ATOM 154 CG LEU A 11 -2.144 5.064 4.716 1.00 0.00 C ATOM 155 CD1 LEU A 11 -1.351 5.135 6.022 1.00 0.00 C ATOM 156 CD2 LEU A 11 -2.061 3.679 4.070 1.00 0.00 C ATOM 0 H LEU A 11 -4.455 3.171 4.737 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.641 4.778 6.919 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.151 5.301 4.012 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.626 6.554 5.119 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.687 5.771 4.023 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.320 4.834 5.838 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.369 6.156 6.403 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.799 4.465 6.756 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.015 3.407 3.925 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.540 2.946 4.719 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.568 3.696 3.105 1.00 0.00 H new ATOM 168 N ILE A 12 -6.708 5.153 5.908 1.00 0.00 N ATOM 169 CA ILE A 12 -7.984 5.764 6.242 1.00 0.00 C ATOM 170 C ILE A 12 -8.416 5.304 7.636 1.00 0.00 C ATOM 171 O ILE A 12 -8.590 6.122 8.537 1.00 0.00 O ATOM 172 CB ILE A 12 -9.018 5.475 5.151 1.00 0.00 C ATOM 173 CG1 ILE A 12 -8.467 5.826 3.767 1.00 0.00 C ATOM 174 CG2 ILE A 12 -10.337 6.193 5.442 1.00 0.00 C ATOM 175 CD1 ILE A 12 -8.156 7.320 3.664 1.00 0.00 C ATOM 0 H ILE A 12 -6.751 4.452 5.168 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.889 6.849 6.280 1.00 0.00 H new ATOM 0 HB ILE A 12 -9.227 4.405 5.153 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -7.563 5.249 3.574 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.192 5.548 3.002 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -11.054 5.971 4.652 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -10.734 5.852 6.398 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -10.164 7.268 5.484 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.766 7.543 2.671 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.067 7.894 3.833 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -7.413 7.590 4.415 1.00 0.00 H new ATOM 187 N THR A 13 -8.577 3.995 7.769 1.00 0.00 N ATOM 188 CA THR A 13 -8.985 3.416 9.037 1.00 0.00 C ATOM 189 C THR A 13 -8.252 4.098 10.195 1.00 0.00 C ATOM 190 O THR A 13 -8.837 4.334 11.251 1.00 0.00 O ATOM 191 CB THR A 13 -8.741 1.907 8.969 1.00 0.00 C ATOM 192 OG1 THR A 13 -7.351 1.793 8.678 1.00 0.00 O ATOM 193 CG2 THR A 13 -9.428 1.258 7.766 1.00 0.00 C ATOM 0 H THR A 13 -8.432 3.319 7.019 1.00 0.00 H new ATOM 0 HA THR A 13 -10.046 3.580 9.223 1.00 0.00 H new ATOM 0 HB THR A 13 -9.097 1.439 9.887 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.048 2.598 8.209 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.224 0.187 7.764 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.504 1.422 7.829 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.047 1.702 6.846 1.00 0.00 H new ATOM 201 N MET A 14 -6.984 4.396 9.956 1.00 0.00 N ATOM 202 CA MET A 14 -6.165 5.046 10.966 1.00 0.00 C ATOM 203 C MET A 14 -6.489 6.539 11.056 1.00 0.00 C ATOM 204 O MET A 14 -6.487 7.113 12.144 1.00 0.00 O ATOM 205 CB MET A 14 -4.686 4.864 10.619 1.00 0.00 C ATOM 206 CG MET A 14 -4.075 3.708 11.412 1.00 0.00 C ATOM 207 SD MET A 14 -3.284 4.330 12.887 1.00 0.00 S ATOM 208 CE MET A 14 -1.938 5.245 12.154 1.00 0.00 C ATOM 0 H MET A 14 -6.503 4.200 9.078 1.00 0.00 H new ATOM 0 HA MET A 14 -6.379 4.588 11.931 1.00 0.00 H new ATOM 0 HB2 MET A 14 -4.580 4.673 9.551 1.00 0.00 H new ATOM 0 HB3 MET A 14 -4.143 5.784 10.834 1.00 0.00 H new ATOM 0 HG2 MET A 14 -4.850 2.990 11.680 1.00 0.00 H new ATOM 0 HG3 MET A 14 -3.349 3.177 10.796 1.00 0.00 H new ATOM 0 HE1 MET A 14 -0.991 4.774 12.419 1.00 0.00 H new ATOM 0 HE2 MET A 14 -2.049 5.250 11.070 1.00 0.00 H new ATOM 0 HE3 MET A 14 -1.950 6.270 12.525 1.00 0.00 H new ATOM 218 N ALA A 15 -6.759 7.124 9.899 1.00 0.00 N ATOM 219 CA ALA A 15 -7.084 8.539 9.834 1.00 0.00 C ATOM 220 C ALA A 15 -8.401 8.790 10.571 1.00 0.00 C ATOM 221 O ALA A 15 -8.604 9.862 11.138 1.00 0.00 O ATOM 222 CB ALA A 15 -7.141 8.983 8.371 1.00 0.00 C ATOM 0 H ALA A 15 -6.760 6.644 8.999 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.313 9.133 10.325 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.385 10.044 8.322 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.173 8.811 7.901 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.906 8.410 7.847 1.00 0.00 H new ATOM 228 N ILE A 16 -9.261 7.782 10.539 1.00 0.00 N ATOM 229 CA ILE A 16 -10.552 7.880 11.198 1.00 0.00 C ATOM 230 C ILE A 16 -10.404 7.476 12.666 1.00 0.00 C ATOM 231 O ILE A 16 -10.822 8.208 13.561 1.00 0.00 O ATOM 232 CB ILE A 16 -11.603 7.067 10.439 1.00 0.00 C ATOM 233 CG1 ILE A 16 -11.795 7.607 9.020 1.00 0.00 C ATOM 234 CG2 ILE A 16 -12.921 7.015 11.215 1.00 0.00 C ATOM 235 CD1 ILE A 16 -12.085 9.109 9.039 1.00 0.00 C ATOM 0 H ILE A 16 -9.089 6.894 10.067 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.908 8.910 11.186 1.00 0.00 H new ATOM 0 HB ILE A 16 -11.242 6.043 10.348 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -10.900 7.413 8.429 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -12.617 7.080 8.535 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -13.651 6.431 10.654 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -12.753 6.549 12.186 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -13.299 8.027 11.358 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -12.217 9.467 8.018 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -12.994 9.297 9.610 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -11.250 9.635 9.503 1.00 0.00 H new ATOM 247 N LEU A 17 -9.807 6.310 12.867 1.00 0.00 N ATOM 248 CA LEU A 17 -9.598 5.799 14.212 1.00 0.00 C ATOM 249 C LEU A 17 -8.827 6.835 15.032 1.00 0.00 C ATOM 250 O LEU A 17 -9.214 7.156 16.155 1.00 0.00 O ATOM 251 CB LEU A 17 -8.924 4.426 14.164 1.00 0.00 C ATOM 252 CG LEU A 17 -9.860 3.224 14.027 1.00 0.00 C ATOM 253 CD1 LEU A 17 -11.017 3.535 13.075 1.00 0.00 C ATOM 254 CD2 LEU A 17 -9.088 1.973 13.603 1.00 0.00 C ATOM 0 H LEU A 17 -9.462 5.705 12.122 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.553 5.642 14.713 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.226 4.415 13.327 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.335 4.301 15.072 1.00 0.00 H new ATOM 0 HG LEU A 17 -10.295 3.017 15.005 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -11.667 2.664 12.996 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -11.588 4.380 13.460 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -10.621 3.783 12.090 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.777 1.133 13.513 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.606 2.151 12.642 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.330 1.742 14.352 1.00 0.00 H new ATOM 266 N GLN A 18 -7.750 7.329 14.440 1.00 0.00 N ATOM 267 CA GLN A 18 -6.921 8.321 15.102 1.00 0.00 C ATOM 268 C GLN A 18 -7.789 9.451 15.661 1.00 0.00 C ATOM 269 O GLN A 18 -7.399 10.125 16.613 1.00 0.00 O ATOM 270 CB GLN A 18 -5.855 8.869 14.151 1.00 0.00 C ATOM 271 CG GLN A 18 -6.488 9.730 13.056 1.00 0.00 C ATOM 272 CD GLN A 18 -6.707 11.164 13.545 1.00 0.00 C ATOM 273 OE1 GLN A 18 -6.437 11.507 14.684 1.00 0.00 O ATOM 274 NE2 GLN A 18 -7.209 11.979 12.622 1.00 0.00 N ATOM 0 H GLN A 18 -7.432 7.061 13.509 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.406 7.839 15.933 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.132 9.461 14.712 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -5.307 8.043 13.698 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.845 9.736 12.176 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.441 9.296 12.752 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -7.412 11.627 11.687 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.391 12.957 12.849 1.00 0.00 H new ATOM 283 N SER A 19 -8.950 9.621 15.046 1.00 0.00 N ATOM 284 CA SER A 19 -9.876 10.657 15.470 1.00 0.00 C ATOM 285 C SER A 19 -11.207 10.029 15.889 1.00 0.00 C ATOM 286 O SER A 19 -12.203 10.141 15.176 1.00 0.00 O ATOM 287 CB SER A 19 -10.101 11.683 14.358 1.00 0.00 C ATOM 288 OG SER A 19 -10.489 11.067 13.133 1.00 0.00 O ATOM 0 H SER A 19 -9.270 9.059 14.258 1.00 0.00 H new ATOM 0 HA SER A 19 -9.441 11.176 16.324 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.870 12.390 14.668 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.186 12.255 14.202 1.00 0.00 H new ATOM 0 HG SER A 19 -10.632 10.109 13.280 1.00 0.00 H new ATOM 294 N PRO A 20 -11.180 9.364 17.076 1.00 0.00 N ATOM 295 CA PRO A 20 -12.372 8.718 17.599 1.00 0.00 C ATOM 296 C PRO A 20 -13.353 9.750 18.159 1.00 0.00 C ATOM 297 O PRO A 20 -14.463 9.402 18.559 1.00 0.00 O ATOM 298 CB PRO A 20 -11.863 7.748 18.653 1.00 0.00 C ATOM 299 CG PRO A 20 -10.461 8.217 19.008 1.00 0.00 C ATOM 300 CD PRO A 20 -10.018 9.211 17.947 1.00 0.00 C ATOM 0 HA PRO A 20 -12.937 8.190 16.831 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.510 7.750 19.531 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.848 6.728 18.270 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.453 8.682 19.994 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -9.775 7.371 19.049 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -9.728 10.163 18.392 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.154 8.842 17.394 1.00 0.00 H new ATOM 308 N GLN A 21 -12.908 10.997 18.172 1.00 0.00 N ATOM 309 CA GLN A 21 -13.733 12.082 18.677 1.00 0.00 C ATOM 310 C GLN A 21 -14.907 12.339 17.731 1.00 0.00 C ATOM 311 O GLN A 21 -15.949 11.694 17.839 1.00 0.00 O ATOM 312 CB GLN A 21 -12.904 13.352 18.881 1.00 0.00 C ATOM 313 CG GLN A 21 -13.709 14.417 19.628 1.00 0.00 C ATOM 314 CD GLN A 21 -12.833 15.157 20.641 1.00 0.00 C ATOM 315 OE1 GLN A 21 -11.883 15.840 20.296 1.00 0.00 O ATOM 316 NE2 GLN A 21 -13.204 14.982 21.906 1.00 0.00 N ATOM 0 H GLN A 21 -11.986 11.281 17.841 1.00 0.00 H new ATOM 0 HA GLN A 21 -14.132 11.789 19.648 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -12.000 13.114 19.442 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -12.586 13.743 17.914 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -14.127 15.128 18.915 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -14.549 13.949 20.142 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -14.010 14.397 22.125 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -12.683 15.433 22.658 1.00 0.00 H new ATOM 325 N LYS A 22 -14.701 13.285 16.826 1.00 0.00 N ATOM 326 CA LYS A 22 -15.730 13.636 15.862 1.00 0.00 C ATOM 327 C LYS A 22 -15.262 14.838 15.039 1.00 0.00 C ATOM 328 O LYS A 22 -15.803 15.934 15.172 1.00 0.00 O ATOM 329 CB LYS A 22 -17.070 13.857 16.566 1.00 0.00 C ATOM 330 CG LYS A 22 -18.210 13.188 15.796 1.00 0.00 C ATOM 331 CD LYS A 22 -19.558 13.819 16.153 1.00 0.00 C ATOM 332 CE LYS A 22 -20.136 13.194 17.424 1.00 0.00 C ATOM 333 NZ LYS A 22 -19.886 14.068 18.592 1.00 0.00 N ATOM 0 H LYS A 22 -13.836 13.819 16.740 1.00 0.00 H new ATOM 0 HA LYS A 22 -15.895 12.815 15.164 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -17.024 13.454 17.578 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -17.265 14.925 16.657 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -18.033 13.281 14.724 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -18.231 12.122 16.024 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -19.435 14.893 16.295 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -20.257 13.685 15.327 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -21.208 13.036 17.304 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -19.686 12.215 17.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -20.285 13.629 19.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -18.862 14.198 18.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -20.336 14.993 18.436 1.00 0.00 H new ATOM 347 N LYS A 23 -14.262 14.591 14.205 1.00 0.00 N ATOM 348 CA LYS A 23 -13.716 15.639 13.360 1.00 0.00 C ATOM 349 C LYS A 23 -12.601 15.056 12.489 1.00 0.00 C ATOM 350 O LYS A 23 -11.673 14.431 12.999 1.00 0.00 O ATOM 351 CB LYS A 23 -13.274 16.834 14.207 1.00 0.00 C ATOM 352 CG LYS A 23 -13.473 18.147 13.448 1.00 0.00 C ATOM 353 CD LYS A 23 -14.911 18.649 13.589 1.00 0.00 C ATOM 354 CE LYS A 23 -15.208 19.755 12.574 1.00 0.00 C ATOM 355 NZ LYS A 23 -15.502 19.173 11.245 1.00 0.00 N ATOM 0 H LYS A 23 -13.816 13.680 14.097 1.00 0.00 H new ATOM 0 HA LYS A 23 -14.481 16.022 12.685 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -13.844 16.857 15.136 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.225 16.723 14.480 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -12.782 18.899 13.829 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -13.237 18.001 12.394 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -15.605 17.821 13.443 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.071 19.025 14.599 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -16.056 20.350 12.913 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.355 20.429 12.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -15.551 19.933 10.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.749 18.504 10.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.413 18.672 11.279 1.00 0.00 H new ATOM 369 N LEU A 24 -12.730 15.282 11.190 1.00 0.00 N ATOM 370 CA LEU A 24 -11.746 14.787 10.243 1.00 0.00 C ATOM 371 C LEU A 24 -11.211 15.956 9.413 1.00 0.00 C ATOM 372 O LEU A 24 -11.842 17.009 9.338 1.00 0.00 O ATOM 373 CB LEU A 24 -12.334 13.654 9.401 1.00 0.00 C ATOM 374 CG LEU A 24 -11.898 12.238 9.783 1.00 0.00 C ATOM 375 CD1 LEU A 24 -10.379 12.087 9.689 1.00 0.00 C ATOM 376 CD2 LEU A 24 -12.427 11.857 11.168 1.00 0.00 C ATOM 0 H LEU A 24 -13.501 15.802 10.771 1.00 0.00 H new ATOM 0 HA LEU A 24 -10.896 14.353 10.769 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -13.421 13.708 9.464 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -12.066 13.826 8.358 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.335 11.542 9.067 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.097 11.071 9.966 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.056 12.288 8.668 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.900 12.794 10.367 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.103 10.846 11.416 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.039 12.555 11.910 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.516 11.899 11.166 1.00 0.00 H new ATOM 388 N THR A 25 -10.052 15.731 8.810 1.00 0.00 N ATOM 389 CA THR A 25 -9.425 16.752 7.989 1.00 0.00 C ATOM 390 C THR A 25 -8.517 16.109 6.939 1.00 0.00 C ATOM 391 O THR A 25 -7.497 15.511 7.277 1.00 0.00 O ATOM 392 CB THR A 25 -8.689 17.720 8.917 1.00 0.00 C ATOM 393 OG1 THR A 25 -9.646 18.027 9.928 1.00 0.00 O ATOM 394 CG2 THR A 25 -8.404 19.068 8.252 1.00 0.00 C ATOM 0 H THR A 25 -9.531 14.856 8.874 1.00 0.00 H new ATOM 0 HA THR A 25 -10.168 17.319 7.428 1.00 0.00 H new ATOM 0 HB THR A 25 -7.750 17.270 9.240 1.00 0.00 H new ATOM 0 HG1 THR A 25 -10.524 18.169 9.515 1.00 0.00 H new ATOM 0 HG21 THR A 25 -7.880 19.717 8.954 1.00 0.00 H new ATOM 0 HG22 THR A 25 -7.784 18.914 7.369 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.344 19.535 7.959 1.00 0.00 H new ATOM 402 N LEU A 26 -8.921 16.253 5.685 1.00 0.00 N ATOM 403 CA LEU A 26 -8.157 15.694 4.583 1.00 0.00 C ATOM 404 C LEU A 26 -6.720 16.215 4.649 1.00 0.00 C ATOM 405 O LEU A 26 -5.774 15.431 4.708 1.00 0.00 O ATOM 406 CB LEU A 26 -8.854 15.976 3.251 1.00 0.00 C ATOM 407 CG LEU A 26 -8.311 15.218 2.037 1.00 0.00 C ATOM 408 CD1 LEU A 26 -7.081 15.920 1.457 1.00 0.00 C ATOM 409 CD2 LEU A 26 -8.026 13.756 2.386 1.00 0.00 C ATOM 0 H LEU A 26 -9.768 16.749 5.408 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.106 14.608 4.666 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.912 15.738 3.360 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.787 17.045 3.047 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.078 15.220 1.262 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.715 15.361 0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.351 16.929 1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.300 15.970 2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.641 13.240 1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.287 13.710 3.186 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.947 13.274 2.715 1.00 0.00 H new ATOM 421 N SER A 27 -6.602 17.535 4.636 1.00 0.00 N ATOM 422 CA SER A 27 -5.296 18.170 4.692 1.00 0.00 C ATOM 423 C SER A 27 -4.477 17.579 5.841 1.00 0.00 C ATOM 424 O SER A 27 -3.341 17.150 5.642 1.00 0.00 O ATOM 425 CB SER A 27 -5.428 19.685 4.858 1.00 0.00 C ATOM 426 OG SER A 27 -6.347 20.031 5.891 1.00 0.00 O ATOM 0 H SER A 27 -7.389 18.182 4.588 1.00 0.00 H new ATOM 0 HA SER A 27 -4.781 17.978 3.751 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.451 20.111 5.084 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.758 20.125 3.917 1.00 0.00 H new ATOM 0 HG SER A 27 -7.258 20.040 5.529 1.00 0.00 H new ATOM 432 N GLY A 28 -5.084 17.576 7.019 1.00 0.00 N ATOM 433 CA GLY A 28 -4.424 17.045 8.200 1.00 0.00 C ATOM 434 C GLY A 28 -4.060 15.571 8.008 1.00 0.00 C ATOM 435 O GLY A 28 -3.011 15.123 8.467 1.00 0.00 O ATOM 0 H GLY A 28 -6.026 17.933 7.181 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.523 17.622 8.408 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.078 17.152 9.066 1.00 0.00 H new ATOM 439 N ILE A 29 -4.948 14.859 7.331 1.00 0.00 N ATOM 440 CA ILE A 29 -4.734 13.445 7.073 1.00 0.00 C ATOM 441 C ILE A 29 -3.496 13.274 6.191 1.00 0.00 C ATOM 442 O ILE A 29 -2.538 12.608 6.580 1.00 0.00 O ATOM 443 CB ILE A 29 -5.997 12.809 6.490 1.00 0.00 C ATOM 444 CG1 ILE A 29 -6.777 12.052 7.568 1.00 0.00 C ATOM 445 CG2 ILE A 29 -5.660 11.917 5.294 1.00 0.00 C ATOM 446 CD1 ILE A 29 -7.258 13.003 8.665 1.00 0.00 C ATOM 0 H ILE A 29 -5.818 15.235 6.953 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.539 12.913 8.004 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.644 13.607 6.124 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.632 11.549 7.117 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.145 11.278 8.004 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.576 11.477 4.899 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.180 12.514 4.519 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.984 11.123 5.611 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.809 12.440 9.418 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.399 13.487 9.130 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.909 13.761 8.230 1.00 0.00 H new ATOM 458 N CYS A 30 -3.555 13.887 5.018 1.00 0.00 N ATOM 459 CA CYS A 30 -2.451 13.811 4.076 1.00 0.00 C ATOM 460 C CYS A 30 -1.148 14.040 4.845 1.00 0.00 C ATOM 461 O CYS A 30 -0.149 13.367 4.596 1.00 0.00 O ATOM 462 CB CYS A 30 -2.618 14.807 2.927 1.00 0.00 C ATOM 463 SG CYS A 30 -1.210 14.665 1.767 1.00 0.00 S ATOM 0 H CYS A 30 -4.351 14.439 4.698 1.00 0.00 H new ATOM 0 HA CYS A 30 -2.431 12.824 3.614 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -3.554 14.615 2.402 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.675 15.822 3.320 1.00 0.00 H new ATOM 0 HG CYS A 30 -1.353 13.598 1.039 1.00 0.00 H new ATOM 469 N GLU A 31 -1.200 14.993 5.764 1.00 0.00 N ATOM 470 CA GLU A 31 -0.037 15.320 6.571 1.00 0.00 C ATOM 471 C GLU A 31 0.329 14.142 7.477 1.00 0.00 C ATOM 472 O GLU A 31 1.500 13.789 7.599 1.00 0.00 O ATOM 473 CB GLU A 31 -0.277 16.588 7.392 1.00 0.00 C ATOM 474 CG GLU A 31 0.881 17.575 7.227 1.00 0.00 C ATOM 475 CD GLU A 31 0.364 18.977 6.896 1.00 0.00 C ATOM 476 OE1 GLU A 31 0.154 19.233 5.691 1.00 0.00 O ATOM 477 OE2 GLU A 31 0.191 19.759 7.855 1.00 0.00 O ATOM 0 H GLU A 31 -2.030 15.550 5.968 1.00 0.00 H new ATOM 0 HA GLU A 31 0.801 15.513 5.902 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.208 17.059 7.077 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.391 16.328 8.444 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.469 17.608 8.144 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.546 17.232 6.434 1.00 0.00 H new ATOM 484 N PHE A 32 -0.697 13.566 8.088 1.00 0.00 N ATOM 485 CA PHE A 32 -0.498 12.436 8.978 1.00 0.00 C ATOM 486 C PHE A 32 -0.041 11.199 8.201 1.00 0.00 C ATOM 487 O PHE A 32 0.501 10.261 8.784 1.00 0.00 O ATOM 488 CB PHE A 32 -1.848 12.141 9.634 1.00 0.00 C ATOM 489 CG PHE A 32 -2.257 10.667 9.583 1.00 0.00 C ATOM 490 CD1 PHE A 32 -1.716 9.780 10.461 1.00 0.00 C ATOM 491 CD2 PHE A 32 -3.160 10.244 8.658 1.00 0.00 C ATOM 492 CE1 PHE A 32 -2.096 8.413 10.413 1.00 0.00 C ATOM 493 CE2 PHE A 32 -3.539 8.876 8.610 1.00 0.00 C ATOM 494 CZ PHE A 32 -2.999 7.990 9.488 1.00 0.00 C ATOM 0 H PHE A 32 -1.668 13.861 7.984 1.00 0.00 H new ATOM 0 HA PHE A 32 0.270 12.673 9.714 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.812 12.461 10.675 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.617 12.738 9.143 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.998 10.116 11.194 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.589 10.948 7.960 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.668 7.709 11.111 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -4.256 8.540 7.876 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.287 6.950 9.451 1.00 0.00 H new ATOM 504 N ILE A 33 -0.277 11.238 6.898 1.00 0.00 N ATOM 505 CA ILE A 33 0.103 10.132 6.036 1.00 0.00 C ATOM 506 C ILE A 33 1.598 10.226 5.723 1.00 0.00 C ATOM 507 O ILE A 33 2.334 9.256 5.897 1.00 0.00 O ATOM 508 CB ILE A 33 -0.784 10.095 4.790 1.00 0.00 C ATOM 509 CG1 ILE A 33 -2.242 9.819 5.163 1.00 0.00 C ATOM 510 CG2 ILE A 33 -0.253 9.087 3.768 1.00 0.00 C ATOM 511 CD1 ILE A 33 -2.370 8.505 5.938 1.00 0.00 C ATOM 0 H ILE A 33 -0.727 12.018 6.418 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.059 9.181 6.543 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.752 11.078 4.319 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.629 10.640 5.766 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.850 9.773 4.259 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.902 9.081 2.892 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.757 9.369 3.470 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.235 8.092 4.213 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.416 8.332 6.191 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.005 7.683 5.323 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.780 8.563 6.853 1.00 0.00 H new ATOM 523 N SER A 34 2.002 11.403 5.267 1.00 0.00 N ATOM 524 CA SER A 34 3.396 11.635 4.929 1.00 0.00 C ATOM 525 C SER A 34 4.276 11.429 6.164 1.00 0.00 C ATOM 526 O SER A 34 5.266 10.701 6.110 1.00 0.00 O ATOM 527 CB SER A 34 3.598 13.042 4.363 1.00 0.00 C ATOM 528 OG SER A 34 3.498 14.043 5.372 1.00 0.00 O ATOM 0 H SER A 34 1.389 12.205 5.124 1.00 0.00 H new ATOM 0 HA SER A 34 3.685 10.918 4.161 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.576 13.104 3.887 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.854 13.232 3.589 1.00 0.00 H new ATOM 0 HG SER A 34 3.634 14.927 4.971 1.00 0.00 H new ATOM 534 N ASN A 35 3.883 12.083 7.247 1.00 0.00 N ATOM 535 CA ASN A 35 4.623 11.980 8.493 1.00 0.00 C ATOM 536 C ASN A 35 4.723 10.509 8.902 1.00 0.00 C ATOM 537 O ASN A 35 5.791 10.041 9.292 1.00 0.00 O ATOM 538 CB ASN A 35 3.915 12.737 9.618 1.00 0.00 C ATOM 539 CG ASN A 35 4.834 13.796 10.230 1.00 0.00 C ATOM 540 OD1 ASN A 35 5.858 13.498 10.824 1.00 0.00 O ATOM 541 ND2 ASN A 35 4.414 15.045 10.052 1.00 0.00 N ATOM 0 H ASN A 35 3.062 12.686 7.287 1.00 0.00 H new ATOM 0 HA ASN A 35 5.611 12.411 8.335 1.00 0.00 H new ATOM 0 HB2 ASN A 35 3.014 13.213 9.230 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.598 12.036 10.390 1.00 0.00 H new ATOM 0 HD21 ASN A 35 4.959 15.824 10.422 1.00 0.00 H new ATOM 0 HD22 ASN A 35 3.547 15.224 9.545 1.00 0.00 H new ATOM 548 N ARG A 36 3.595 9.822 8.799 1.00 0.00 N ATOM 549 CA ARG A 36 3.542 8.413 9.154 1.00 0.00 C ATOM 550 C ARG A 36 4.384 7.588 8.178 1.00 0.00 C ATOM 551 O ARG A 36 5.207 6.777 8.597 1.00 0.00 O ATOM 552 CB ARG A 36 2.102 7.896 9.139 1.00 0.00 C ATOM 553 CG ARG A 36 1.337 8.366 10.377 1.00 0.00 C ATOM 554 CD ARG A 36 1.791 7.604 11.624 1.00 0.00 C ATOM 555 NE ARG A 36 1.488 6.163 11.474 1.00 0.00 N ATOM 556 CZ ARG A 36 2.379 5.246 11.073 1.00 0.00 C ATOM 557 NH1 ARG A 36 3.634 5.615 10.779 1.00 0.00 N ATOM 558 NH2 ARG A 36 2.016 3.961 10.966 1.00 0.00 N ATOM 0 H ARG A 36 2.711 10.214 8.475 1.00 0.00 H new ATOM 0 HA ARG A 36 3.943 8.309 10.162 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.596 8.246 8.240 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.103 6.807 9.100 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.494 9.435 10.522 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.268 8.219 10.226 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.861 7.745 11.777 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.288 8.000 12.506 1.00 0.00 H new ATOM 0 HE ARG A 36 0.542 5.848 11.689 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.910 6.593 10.861 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.312 4.917 10.474 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.061 3.680 11.190 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.694 3.263 10.661 1.00 0.00 H new ATOM 572 N PHE A 37 4.148 7.825 6.896 1.00 0.00 N ATOM 573 CA PHE A 37 4.874 7.114 5.858 1.00 0.00 C ATOM 574 C PHE A 37 5.505 8.090 4.863 1.00 0.00 C ATOM 575 O PHE A 37 4.799 8.850 4.202 1.00 0.00 O ATOM 576 CB PHE A 37 3.858 6.238 5.121 1.00 0.00 C ATOM 577 CG PHE A 37 2.995 5.375 6.044 1.00 0.00 C ATOM 578 CD1 PHE A 37 1.983 5.941 6.754 1.00 0.00 C ATOM 579 CD2 PHE A 37 3.241 4.042 6.154 1.00 0.00 C ATOM 580 CE1 PHE A 37 1.182 5.140 7.610 1.00 0.00 C ATOM 581 CE2 PHE A 37 2.440 3.241 7.010 1.00 0.00 C ATOM 582 CZ PHE A 37 1.427 3.807 7.720 1.00 0.00 C ATOM 0 H PHE A 37 3.464 8.499 6.553 1.00 0.00 H new ATOM 0 HA PHE A 37 5.674 6.523 6.303 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.207 6.878 4.525 1.00 0.00 H new ATOM 0 HB3 PHE A 37 4.390 5.589 4.426 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.788 7.000 6.667 1.00 0.00 H new ATOM 0 HD2 PHE A 37 4.045 3.593 5.590 1.00 0.00 H new ATOM 0 HE1 PHE A 37 0.378 5.590 8.174 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.635 2.182 7.097 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.817 3.198 8.371 1.00 0.00 H new ATOM 592 N PRO A 38 6.861 8.036 4.787 1.00 0.00 N ATOM 593 CA PRO A 38 7.595 8.907 3.884 1.00 0.00 C ATOM 594 C PRO A 38 7.460 8.433 2.435 1.00 0.00 C ATOM 595 O PRO A 38 7.165 9.227 1.543 1.00 0.00 O ATOM 596 CB PRO A 38 9.029 8.877 4.387 1.00 0.00 C ATOM 597 CG PRO A 38 9.138 7.637 5.260 1.00 0.00 C ATOM 598 CD PRO A 38 7.730 7.149 5.555 1.00 0.00 C ATOM 0 HA PRO A 38 7.210 9.927 3.878 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.734 8.833 3.556 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.262 9.777 4.956 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.712 6.862 4.752 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.664 7.868 6.186 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.600 6.109 5.254 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.508 7.202 6.621 1.00 0.00 H new ATOM 606 N TYR A 39 7.682 7.141 2.246 1.00 0.00 N ATOM 607 CA TYR A 39 7.589 6.552 0.920 1.00 0.00 C ATOM 608 C TYR A 39 6.265 6.920 0.249 1.00 0.00 C ATOM 609 O TYR A 39 6.224 7.170 -0.955 1.00 0.00 O ATOM 610 CB TYR A 39 7.637 5.037 1.128 1.00 0.00 C ATOM 611 CG TYR A 39 7.747 4.234 -0.170 1.00 0.00 C ATOM 612 CD1 TYR A 39 6.605 3.876 -0.858 1.00 0.00 C ATOM 613 CD2 TYR A 39 8.987 3.868 -0.653 1.00 0.00 C ATOM 614 CE1 TYR A 39 6.708 3.120 -2.079 1.00 0.00 C ATOM 615 CE2 TYR A 39 9.090 3.113 -1.874 1.00 0.00 C ATOM 616 CZ TYR A 39 7.945 2.776 -2.527 1.00 0.00 C ATOM 617 OH TYR A 39 8.043 2.062 -3.681 1.00 0.00 O ATOM 0 H TYR A 39 7.926 6.485 2.988 1.00 0.00 H new ATOM 0 HA TYR A 39 8.396 6.913 0.282 1.00 0.00 H new ATOM 0 HB2 TYR A 39 8.487 4.795 1.766 1.00 0.00 H new ATOM 0 HB3 TYR A 39 6.739 4.725 1.661 1.00 0.00 H new ATOM 0 HD1 TYR A 39 5.635 4.163 -0.481 1.00 0.00 H new ATOM 0 HD2 TYR A 39 9.880 4.148 -0.115 1.00 0.00 H new ATOM 0 HE1 TYR A 39 5.823 2.833 -2.627 1.00 0.00 H new ATOM 0 HE2 TYR A 39 10.054 2.821 -2.263 1.00 0.00 H new ATOM 0 HH TYR A 39 8.987 1.889 -3.879 1.00 0.00 H new ATOM 627 N TYR A 40 5.215 6.943 1.056 1.00 0.00 N ATOM 628 CA TYR A 40 3.892 7.277 0.555 1.00 0.00 C ATOM 629 C TYR A 40 3.860 8.704 0.003 1.00 0.00 C ATOM 630 O TYR A 40 3.246 8.959 -1.033 1.00 0.00 O ATOM 631 CB TYR A 40 2.950 7.187 1.757 1.00 0.00 C ATOM 632 CG TYR A 40 2.625 5.755 2.186 1.00 0.00 C ATOM 633 CD1 TYR A 40 3.190 4.689 1.516 1.00 0.00 C ATOM 634 CD2 TYR A 40 1.767 5.529 3.243 1.00 0.00 C ATOM 635 CE1 TYR A 40 2.884 3.341 1.920 1.00 0.00 C ATOM 636 CE2 TYR A 40 1.461 4.182 3.647 1.00 0.00 C ATOM 637 CZ TYR A 40 2.034 3.154 2.966 1.00 0.00 C ATOM 638 OH TYR A 40 1.745 1.881 3.347 1.00 0.00 O ATOM 0 H TYR A 40 5.253 6.736 2.054 1.00 0.00 H new ATOM 0 HA TYR A 40 3.605 6.602 -0.252 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.400 7.714 2.598 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.021 7.703 1.517 1.00 0.00 H new ATOM 0 HD1 TYR A 40 3.862 4.866 0.689 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.325 6.363 3.767 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.319 2.498 1.404 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.791 3.992 4.473 1.00 0.00 H new ATOM 0 HH TYR A 40 1.126 1.899 4.107 1.00 0.00 H new ATOM 648 N ARG A 41 4.528 9.597 0.718 1.00 0.00 N ATOM 649 CA ARG A 41 4.583 10.991 0.313 1.00 0.00 C ATOM 650 C ARG A 41 5.630 11.184 -0.786 1.00 0.00 C ATOM 651 O ARG A 41 5.715 12.253 -1.387 1.00 0.00 O ATOM 652 CB ARG A 41 4.924 11.896 1.498 1.00 0.00 C ATOM 653 CG ARG A 41 4.743 13.371 1.132 1.00 0.00 C ATOM 654 CD ARG A 41 6.080 14.008 0.746 1.00 0.00 C ATOM 655 NE ARG A 41 6.286 15.256 1.514 1.00 0.00 N ATOM 656 CZ ARG A 41 7.487 15.726 1.876 1.00 0.00 C ATOM 657 NH1 ARG A 41 8.597 15.054 1.543 1.00 0.00 N ATOM 658 NH2 ARG A 41 7.578 16.868 2.571 1.00 0.00 N ATOM 0 H ARG A 41 5.036 9.382 1.576 1.00 0.00 H new ATOM 0 HA ARG A 41 3.599 11.265 -0.067 1.00 0.00 H new ATOM 0 HB2 ARG A 41 4.286 11.647 2.346 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.953 11.719 1.811 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.041 13.460 0.303 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.310 13.908 1.976 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.895 13.311 0.943 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.095 14.222 -0.323 1.00 0.00 H new ATOM 0 HE ARG A 41 5.462 15.792 1.785 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.528 14.185 1.014 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.512 15.412 1.818 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.733 17.379 2.824 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.493 17.226 2.847 1.00 0.00 H new ATOM 672 N GLU A 42 6.402 10.131 -1.014 1.00 0.00 N ATOM 673 CA GLU A 42 7.441 10.171 -2.029 1.00 0.00 C ATOM 674 C GLU A 42 6.838 9.937 -3.415 1.00 0.00 C ATOM 675 O GLU A 42 7.060 10.724 -4.334 1.00 0.00 O ATOM 676 CB GLU A 42 8.540 9.149 -1.730 1.00 0.00 C ATOM 677 CG GLU A 42 9.786 9.833 -1.165 1.00 0.00 C ATOM 678 CD GLU A 42 10.947 9.767 -2.160 1.00 0.00 C ATOM 679 OE1 GLU A 42 11.686 8.761 -2.102 1.00 0.00 O ATOM 680 OE2 GLU A 42 11.068 10.723 -2.956 1.00 0.00 O ATOM 0 H GLU A 42 6.329 9.245 -0.513 1.00 0.00 H new ATOM 0 HA GLU A 42 7.897 11.161 -2.015 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.171 8.411 -1.017 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.798 8.610 -2.642 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.560 10.874 -0.933 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.076 9.354 -0.230 1.00 0.00 H new ATOM 687 N LYS A 43 6.085 8.851 -3.523 1.00 0.00 N ATOM 688 CA LYS A 43 5.448 8.504 -4.781 1.00 0.00 C ATOM 689 C LYS A 43 4.202 9.371 -4.974 1.00 0.00 C ATOM 690 O LYS A 43 4.058 10.039 -5.996 1.00 0.00 O ATOM 691 CB LYS A 43 5.167 7.001 -4.843 1.00 0.00 C ATOM 692 CG LYS A 43 4.846 6.562 -6.273 1.00 0.00 C ATOM 693 CD LYS A 43 4.949 5.042 -6.415 1.00 0.00 C ATOM 694 CE LYS A 43 6.310 4.635 -6.984 1.00 0.00 C ATOM 695 NZ LYS A 43 7.345 4.669 -5.926 1.00 0.00 N ATOM 0 H LYS A 43 5.902 8.200 -2.759 1.00 0.00 H new ATOM 0 HA LYS A 43 6.116 8.715 -5.616 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.033 6.450 -4.475 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.331 6.756 -4.187 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.841 6.889 -6.541 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.534 7.043 -6.968 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.802 4.572 -5.443 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.155 4.680 -7.068 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.248 3.633 -7.409 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.588 5.308 -7.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.184 4.143 -6.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.609 5.656 -5.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.970 4.232 -5.060 1.00 0.00 H new ATOM 709 N PHE A 44 3.333 9.332 -3.974 1.00 0.00 N ATOM 710 CA PHE A 44 2.104 10.106 -4.020 1.00 0.00 C ATOM 711 C PHE A 44 1.673 10.363 -5.465 1.00 0.00 C ATOM 712 O PHE A 44 1.615 11.511 -5.905 1.00 0.00 O ATOM 713 CB PHE A 44 2.393 11.446 -3.340 1.00 0.00 C ATOM 714 CG PHE A 44 1.217 12.002 -2.536 1.00 0.00 C ATOM 715 CD1 PHE A 44 1.048 11.636 -1.237 1.00 0.00 C ATOM 716 CD2 PHE A 44 0.340 12.862 -3.120 1.00 0.00 C ATOM 717 CE1 PHE A 44 -0.044 12.153 -0.490 1.00 0.00 C ATOM 718 CE2 PHE A 44 -0.752 13.378 -2.373 1.00 0.00 C ATOM 719 CZ PHE A 44 -0.921 13.013 -1.074 1.00 0.00 C ATOM 0 H PHE A 44 3.456 8.777 -3.127 1.00 0.00 H new ATOM 0 HA PHE A 44 1.302 9.562 -3.521 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.250 11.328 -2.677 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.677 12.174 -4.100 1.00 0.00 H new ATOM 0 HD1 PHE A 44 1.744 10.952 -0.774 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.474 13.152 -4.152 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.178 11.863 0.542 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -1.449 14.061 -2.837 1.00 0.00 H new ATOM 0 HZ PHE A 44 -1.751 13.406 -0.506 1.00 0.00 H new ATOM 729 N PRO A 45 1.373 9.248 -6.183 1.00 0.00 N ATOM 730 CA PRO A 45 0.948 9.342 -7.570 1.00 0.00 C ATOM 731 C PRO A 45 -0.497 9.836 -7.668 1.00 0.00 C ATOM 732 O PRO A 45 -0.970 10.168 -8.754 1.00 0.00 O ATOM 733 CB PRO A 45 1.138 7.943 -8.135 1.00 0.00 C ATOM 734 CG PRO A 45 1.218 7.016 -6.933 1.00 0.00 C ATOM 735 CD PRO A 45 1.430 7.873 -5.696 1.00 0.00 C ATOM 0 HA PRO A 45 1.527 10.069 -8.140 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.308 7.668 -8.786 1.00 0.00 H new ATOM 0 HB3 PRO A 45 2.046 7.884 -8.735 1.00 0.00 H new ATOM 0 HG2 PRO A 45 0.303 6.432 -6.840 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.038 6.307 -7.051 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.660 7.686 -4.948 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.390 7.659 -5.226 1.00 0.00 H new ATOM 743 N ALA A 46 -1.157 9.868 -6.520 1.00 0.00 N ATOM 744 CA ALA A 46 -2.538 10.316 -6.463 1.00 0.00 C ATOM 745 C ALA A 46 -3.160 9.869 -5.139 1.00 0.00 C ATOM 746 O ALA A 46 -4.188 9.193 -5.128 1.00 0.00 O ATOM 747 CB ALA A 46 -3.300 9.777 -7.676 1.00 0.00 C ATOM 0 H ALA A 46 -0.761 9.591 -5.622 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.590 11.404 -6.502 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.336 10.113 -7.633 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.836 10.146 -8.591 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.271 8.687 -7.669 1.00 0.00 H new ATOM 753 N TRP A 47 -2.512 10.266 -4.054 1.00 0.00 N ATOM 754 CA TRP A 47 -2.989 9.915 -2.727 1.00 0.00 C ATOM 755 C TRP A 47 -4.183 10.814 -2.401 1.00 0.00 C ATOM 756 O TRP A 47 -4.792 10.683 -1.340 1.00 0.00 O ATOM 757 CB TRP A 47 -1.864 10.018 -1.695 1.00 0.00 C ATOM 758 CG TRP A 47 -1.099 8.711 -1.476 1.00 0.00 C ATOM 759 CD1 TRP A 47 -0.336 8.045 -2.354 1.00 0.00 C ATOM 760 CD2 TRP A 47 -1.054 7.934 -0.261 1.00 0.00 C ATOM 761 NE1 TRP A 47 0.196 6.901 -1.795 1.00 0.00 N ATOM 762 CE2 TRP A 47 -0.255 6.831 -0.482 1.00 0.00 C ATOM 763 CE3 TRP A 47 -1.668 8.156 0.984 1.00 0.00 C ATOM 764 CZ2 TRP A 47 0.004 5.863 0.496 1.00 0.00 C ATOM 765 CZ3 TRP A 47 -1.400 7.179 1.951 1.00 0.00 C ATOM 766 CH2 TRP A 47 -0.598 6.063 1.744 1.00 0.00 C ATOM 0 H TRP A 47 -1.661 10.827 -4.067 1.00 0.00 H new ATOM 0 HA TRP A 47 -3.317 8.876 -2.697 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.162 10.789 -2.013 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -2.286 10.344 -0.744 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -0.160 8.364 -3.371 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.808 6.230 -2.260 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -2.297 9.012 1.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 0.634 5.008 0.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -1.848 7.301 2.926 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -0.440 5.353 2.542 1.00 0.00 H new ATOM 777 N GLN A 48 -4.483 11.707 -3.333 1.00 0.00 N ATOM 778 CA GLN A 48 -5.594 12.627 -3.157 1.00 0.00 C ATOM 779 C GLN A 48 -6.919 11.924 -3.459 1.00 0.00 C ATOM 780 O GLN A 48 -7.824 11.914 -2.626 1.00 0.00 O ATOM 781 CB GLN A 48 -5.420 13.869 -4.034 1.00 0.00 C ATOM 782 CG GLN A 48 -6.681 14.735 -4.014 1.00 0.00 C ATOM 783 CD GLN A 48 -7.571 14.437 -5.223 1.00 0.00 C ATOM 784 OE1 GLN A 48 -8.598 13.636 -4.955 1.00 0.00 O flip ATOM 785 NE2 GLN A 48 -7.339 14.904 -6.326 1.00 0.00 N flip ATOM 0 H GLN A 48 -3.976 11.813 -4.212 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.608 12.955 -2.117 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.569 14.451 -3.681 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.198 13.568 -5.058 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.237 14.552 -3.095 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.403 15.789 -4.014 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.532 15.513 -6.463 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.952 14.685 -7.112 1.00 0.00 H new ATOM 794 N ASN A 49 -6.990 11.352 -4.652 1.00 0.00 N ATOM 795 CA ASN A 49 -8.189 10.648 -5.073 1.00 0.00 C ATOM 796 C ASN A 49 -8.271 9.306 -4.342 1.00 0.00 C ATOM 797 O ASN A 49 -9.354 8.876 -3.947 1.00 0.00 O ATOM 798 CB ASN A 49 -8.163 10.366 -6.577 1.00 0.00 C ATOM 799 CG ASN A 49 -7.366 11.438 -7.322 1.00 0.00 C ATOM 800 OD1 ASN A 49 -7.410 12.615 -7.002 1.00 0.00 O ATOM 801 ND2 ASN A 49 -6.637 10.968 -8.330 1.00 0.00 N ATOM 0 H ASN A 49 -6.237 11.362 -5.340 1.00 0.00 H new ATOM 0 HA ASN A 49 -9.048 11.276 -4.838 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.721 9.387 -6.759 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -9.182 10.332 -6.962 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.069 11.605 -8.889 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -6.646 9.971 -8.544 1.00 0.00 H new ATOM 808 N SER A 50 -7.113 8.683 -4.184 1.00 0.00 N ATOM 809 CA SER A 50 -7.040 7.399 -3.508 1.00 0.00 C ATOM 810 C SER A 50 -7.556 7.533 -2.074 1.00 0.00 C ATOM 811 O SER A 50 -8.541 6.896 -1.703 1.00 0.00 O ATOM 812 CB SER A 50 -5.609 6.856 -3.508 1.00 0.00 C ATOM 813 OG SER A 50 -5.099 6.699 -4.829 1.00 0.00 O ATOM 0 H SER A 50 -6.217 9.044 -4.513 1.00 0.00 H new ATOM 0 HA SER A 50 -7.668 6.692 -4.050 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.964 7.533 -2.948 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.585 5.895 -2.993 1.00 0.00 H new ATOM 0 HG SER A 50 -4.707 7.545 -5.131 1.00 0.00 H new ATOM 819 N ILE A 51 -6.868 8.366 -1.307 1.00 0.00 N ATOM 820 CA ILE A 51 -7.245 8.591 0.078 1.00 0.00 C ATOM 821 C ILE A 51 -8.718 8.998 0.142 1.00 0.00 C ATOM 822 O ILE A 51 -9.531 8.305 0.752 1.00 0.00 O ATOM 823 CB ILE A 51 -6.300 9.601 0.733 1.00 0.00 C ATOM 824 CG1 ILE A 51 -4.875 9.048 0.811 1.00 0.00 C ATOM 825 CG2 ILE A 51 -6.823 10.032 2.105 1.00 0.00 C ATOM 826 CD1 ILE A 51 -4.749 8.012 1.929 1.00 0.00 C ATOM 0 H ILE A 51 -6.052 8.893 -1.618 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.142 7.672 0.654 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.266 10.492 0.107 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.605 8.594 -0.142 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.174 9.864 0.986 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.133 10.750 2.548 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.804 10.494 1.992 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.905 9.160 2.753 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.727 7.635 1.962 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.996 8.475 2.884 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.434 7.186 1.738 1.00 0.00 H new ATOM 838 N ARG A 52 -9.018 10.119 -0.497 1.00 0.00 N ATOM 839 CA ARG A 52 -10.380 10.626 -0.521 1.00 0.00 C ATOM 840 C ARG A 52 -11.354 9.512 -0.908 1.00 0.00 C ATOM 841 O ARG A 52 -12.472 9.456 -0.399 1.00 0.00 O ATOM 842 CB ARG A 52 -10.519 11.784 -1.512 1.00 0.00 C ATOM 843 CG ARG A 52 -9.973 13.083 -0.917 1.00 0.00 C ATOM 844 CD ARG A 52 -10.787 14.288 -1.393 1.00 0.00 C ATOM 845 NE ARG A 52 -10.107 14.938 -2.536 1.00 0.00 N ATOM 846 CZ ARG A 52 -9.284 15.990 -2.421 1.00 0.00 C ATOM 847 NH1 ARG A 52 -9.034 16.516 -1.214 1.00 0.00 N ATOM 848 NH2 ARG A 52 -8.711 16.515 -3.513 1.00 0.00 N ATOM 0 H ARG A 52 -8.341 10.691 -1.002 1.00 0.00 H new ATOM 0 HA ARG A 52 -10.617 10.989 0.479 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.983 11.547 -2.431 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -11.568 11.915 -1.779 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -10.000 13.028 0.171 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -8.929 13.208 -1.204 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.787 13.969 -1.688 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.908 15.001 -0.577 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.275 14.562 -3.469 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.470 16.116 -0.383 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.408 17.316 -1.126 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.901 16.114 -4.431 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.085 17.315 -3.426 1.00 0.00 H new ATOM 862 N HIS A 53 -10.894 8.653 -1.806 1.00 0.00 N ATOM 863 CA HIS A 53 -11.711 7.543 -2.267 1.00 0.00 C ATOM 864 C HIS A 53 -11.976 6.583 -1.106 1.00 0.00 C ATOM 865 O HIS A 53 -13.126 6.358 -0.731 1.00 0.00 O ATOM 866 CB HIS A 53 -11.063 6.855 -3.470 1.00 0.00 C ATOM 867 CG HIS A 53 -11.501 5.423 -3.667 1.00 0.00 C ATOM 868 ND1 HIS A 53 -11.081 4.391 -2.847 1.00 0.00 N ATOM 869 CD2 HIS A 53 -12.326 4.864 -4.599 1.00 0.00 C ATOM 870 CE1 HIS A 53 -11.634 3.265 -3.275 1.00 0.00 C ATOM 871 NE2 HIS A 53 -12.404 3.560 -4.361 1.00 0.00 N ATOM 0 H HIS A 53 -9.966 8.703 -2.227 1.00 0.00 H new ATOM 0 HA HIS A 53 -12.676 7.915 -2.611 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -11.297 7.423 -4.370 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -9.980 6.880 -3.350 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -12.830 5.392 -5.395 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -11.499 2.286 -2.840 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -12.950 2.889 -4.902 1.00 0.00 H new ATOM 879 N ASN A 54 -10.892 6.043 -0.568 1.00 0.00 N ATOM 880 CA ASN A 54 -10.992 5.112 0.543 1.00 0.00 C ATOM 881 C ASN A 54 -11.505 5.853 1.779 1.00 0.00 C ATOM 882 O ASN A 54 -11.843 5.231 2.785 1.00 0.00 O ATOM 883 CB ASN A 54 -9.627 4.512 0.884 1.00 0.00 C ATOM 884 CG ASN A 54 -9.197 3.491 -0.171 1.00 0.00 C ATOM 885 OD1 ASN A 54 -9.418 2.297 -0.044 1.00 0.00 O ATOM 886 ND2 ASN A 54 -8.574 4.024 -1.218 1.00 0.00 N ATOM 0 H ASN A 54 -9.940 6.233 -0.881 1.00 0.00 H new ATOM 0 HA ASN A 54 -11.674 4.313 0.253 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -8.883 5.306 0.951 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -9.671 4.033 1.862 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -8.249 3.425 -1.977 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -8.421 5.032 -1.262 1.00 0.00 H new ATOM 893 N LEU A 55 -11.548 7.172 1.663 1.00 0.00 N ATOM 894 CA LEU A 55 -12.015 8.005 2.759 1.00 0.00 C ATOM 895 C LEU A 55 -13.543 8.062 2.735 1.00 0.00 C ATOM 896 O LEU A 55 -14.196 7.712 3.717 1.00 0.00 O ATOM 897 CB LEU A 55 -11.347 9.380 2.708 1.00 0.00 C ATOM 898 CG LEU A 55 -10.537 9.779 3.944 1.00 0.00 C ATOM 899 CD1 LEU A 55 -9.840 11.124 3.732 1.00 0.00 C ATOM 900 CD2 LEU A 55 -11.415 9.779 5.197 1.00 0.00 C ATOM 0 H LEU A 55 -11.267 7.685 0.827 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.727 7.572 3.717 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.687 9.409 1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -12.120 10.132 2.546 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.757 9.033 4.097 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.272 11.384 4.625 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.164 11.053 2.880 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.587 11.895 3.540 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.816 10.066 6.061 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -12.231 10.490 5.069 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -11.824 8.781 5.354 1.00 0.00 H new ATOM 912 N SER A 56 -14.070 8.507 1.603 1.00 0.00 N ATOM 913 CA SER A 56 -15.509 8.615 1.439 1.00 0.00 C ATOM 914 C SER A 56 -16.100 7.247 1.092 1.00 0.00 C ATOM 915 O SER A 56 -17.068 6.810 1.713 1.00 0.00 O ATOM 916 CB SER A 56 -15.865 9.637 0.357 1.00 0.00 C ATOM 917 OG SER A 56 -16.358 9.012 -0.825 1.00 0.00 O ATOM 0 H SER A 56 -13.525 8.797 0.791 1.00 0.00 H new ATOM 0 HA SER A 56 -15.936 8.960 2.381 1.00 0.00 H new ATOM 0 HB2 SER A 56 -16.616 10.327 0.743 1.00 0.00 H new ATOM 0 HB3 SER A 56 -14.983 10.229 0.113 1.00 0.00 H new ATOM 0 HG SER A 56 -15.606 8.676 -1.355 1.00 0.00 H new ATOM 923 N LEU A 57 -15.493 6.609 0.102 1.00 0.00 N ATOM 924 CA LEU A 57 -15.948 5.300 -0.334 1.00 0.00 C ATOM 925 C LEU A 57 -15.539 4.252 0.702 1.00 0.00 C ATOM 926 O LEU A 57 -14.590 3.499 0.488 1.00 0.00 O ATOM 927 CB LEU A 57 -15.440 5.000 -1.746 1.00 0.00 C ATOM 928 CG LEU A 57 -16.008 3.745 -2.411 1.00 0.00 C ATOM 929 CD1 LEU A 57 -16.542 4.059 -3.810 1.00 0.00 C ATOM 930 CD2 LEU A 57 -14.973 2.618 -2.432 1.00 0.00 C ATOM 0 H LEU A 57 -14.690 6.974 -0.410 1.00 0.00 H new ATOM 0 HA LEU A 57 -17.036 5.276 -0.399 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -15.665 5.857 -2.381 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -14.355 4.907 -1.708 1.00 0.00 H new ATOM 0 HG LEU A 57 -16.851 3.396 -1.815 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -16.940 3.150 -4.260 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -17.334 4.805 -3.738 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -15.733 4.447 -4.430 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -15.403 1.738 -2.910 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -14.094 2.941 -2.990 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -14.683 2.371 -1.411 1.00 0.00 H new ATOM 942 N ASN A 58 -16.275 4.236 1.803 1.00 0.00 N ATOM 943 CA ASN A 58 -16.001 3.292 2.874 1.00 0.00 C ATOM 944 C ASN A 58 -16.684 3.770 4.157 1.00 0.00 C ATOM 945 O ASN A 58 -17.564 3.093 4.685 1.00 0.00 O ATOM 946 CB ASN A 58 -14.499 3.190 3.147 1.00 0.00 C ATOM 947 CG ASN A 58 -13.997 1.762 2.923 1.00 0.00 C ATOM 948 OD1 ASN A 58 -13.522 1.095 3.827 1.00 0.00 O ATOM 949 ND2 ASN A 58 -14.128 1.333 1.671 1.00 0.00 N ATOM 0 H ASN A 58 -17.061 4.862 1.977 1.00 0.00 H new ATOM 0 HA ASN A 58 -16.379 2.316 2.569 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -13.960 3.876 2.494 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -14.290 3.496 4.172 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -13.822 0.393 1.419 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -14.535 1.944 0.963 1.00 0.00 H new ATOM 956 N ASP A 59 -16.252 4.934 4.621 1.00 0.00 N ATOM 957 CA ASP A 59 -16.810 5.510 5.832 1.00 0.00 C ATOM 958 C ASP A 59 -18.270 5.893 5.583 1.00 0.00 C ATOM 959 O ASP A 59 -19.172 5.380 6.244 1.00 0.00 O ATOM 960 CB ASP A 59 -16.053 6.775 6.239 1.00 0.00 C ATOM 961 CG ASP A 59 -14.696 6.531 6.903 1.00 0.00 C ATOM 962 OD1 ASP A 59 -14.686 5.815 7.928 1.00 0.00 O ATOM 963 OD2 ASP A 59 -13.699 7.066 6.371 1.00 0.00 O ATOM 0 H ASP A 59 -15.522 5.493 4.180 1.00 0.00 H new ATOM 0 HA ASP A 59 -16.728 4.769 6.627 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.901 7.391 5.352 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -16.677 7.350 6.923 1.00 0.00 H new ATOM 968 N CYS A 60 -18.459 6.792 4.627 1.00 0.00 N ATOM 969 CA CYS A 60 -19.794 7.249 4.283 1.00 0.00 C ATOM 970 C CYS A 60 -20.152 8.421 5.199 1.00 0.00 C ATOM 971 O CYS A 60 -21.169 8.386 5.890 1.00 0.00 O ATOM 972 CB CYS A 60 -20.821 6.118 4.376 1.00 0.00 C ATOM 973 SG CYS A 60 -22.277 6.509 3.339 1.00 0.00 S ATOM 0 H CYS A 60 -17.709 7.216 4.080 1.00 0.00 H new ATOM 0 HA CYS A 60 -19.810 7.582 3.245 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -20.372 5.180 4.049 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -21.129 5.979 5.412 1.00 0.00 H new ATOM 0 HG CYS A 60 -23.142 5.542 3.423 1.00 0.00 H new ATOM 979 N PHE A 61 -19.295 9.432 5.175 1.00 0.00 N ATOM 980 CA PHE A 61 -19.508 10.612 5.995 1.00 0.00 C ATOM 981 C PHE A 61 -19.676 11.860 5.126 1.00 0.00 C ATOM 982 O PHE A 61 -19.919 11.756 3.925 1.00 0.00 O ATOM 983 CB PHE A 61 -18.264 10.779 6.871 1.00 0.00 C ATOM 984 CG PHE A 61 -16.946 10.528 6.134 1.00 0.00 C ATOM 985 CD1 PHE A 61 -16.814 10.898 4.833 1.00 0.00 C ATOM 986 CD2 PHE A 61 -15.908 9.935 6.782 1.00 0.00 C ATOM 987 CE1 PHE A 61 -15.591 10.665 4.149 1.00 0.00 C ATOM 988 CE2 PHE A 61 -14.685 9.702 6.099 1.00 0.00 C ATOM 989 CZ PHE A 61 -14.552 10.072 4.797 1.00 0.00 C ATOM 0 H PHE A 61 -18.452 9.458 4.601 1.00 0.00 H new ATOM 0 HA PHE A 61 -20.412 10.492 6.591 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -18.253 11.789 7.280 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -18.332 10.094 7.716 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -17.639 11.369 4.319 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -16.014 9.641 7.816 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -15.486 10.958 3.115 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -13.860 9.231 6.613 1.00 0.00 H new ATOM 0 HZ PHE A 61 -13.622 9.895 4.278 1.00 0.00 H new ATOM 999 N VAL A 62 -19.539 13.012 5.767 1.00 0.00 N ATOM 1000 CA VAL A 62 -19.673 14.278 5.068 1.00 0.00 C ATOM 1001 C VAL A 62 -18.341 15.030 5.124 1.00 0.00 C ATOM 1002 O VAL A 62 -17.565 14.856 6.062 1.00 0.00 O ATOM 1003 CB VAL A 62 -20.837 15.080 5.654 1.00 0.00 C ATOM 1004 CG1 VAL A 62 -22.137 14.274 5.605 1.00 0.00 C ATOM 1005 CG2 VAL A 62 -20.526 15.533 7.082 1.00 0.00 C ATOM 0 H VAL A 62 -19.336 13.094 6.763 1.00 0.00 H new ATOM 0 HA VAL A 62 -19.908 14.110 4.017 1.00 0.00 H new ATOM 0 HB VAL A 62 -20.972 15.972 5.042 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -22.949 14.866 6.027 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -22.371 14.023 4.570 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -22.019 13.357 6.182 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -21.369 16.101 7.475 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -20.352 14.660 7.711 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -19.635 16.161 7.079 1.00 0.00 H new ATOM 1015 N LYS A 63 -18.118 15.850 4.107 1.00 0.00 N ATOM 1016 CA LYS A 63 -16.894 16.629 4.029 1.00 0.00 C ATOM 1017 C LYS A 63 -17.238 18.079 3.687 1.00 0.00 C ATOM 1018 O LYS A 63 -18.367 18.378 3.299 1.00 0.00 O ATOM 1019 CB LYS A 63 -15.910 15.983 3.051 1.00 0.00 C ATOM 1020 CG LYS A 63 -16.013 14.458 3.096 1.00 0.00 C ATOM 1021 CD LYS A 63 -15.663 13.844 1.738 1.00 0.00 C ATOM 1022 CE LYS A 63 -16.897 13.765 0.838 1.00 0.00 C ATOM 1023 NZ LYS A 63 -17.859 12.770 1.362 1.00 0.00 N ATOM 0 H LYS A 63 -18.764 15.992 3.331 1.00 0.00 H new ATOM 0 HA LYS A 63 -16.388 16.641 4.994 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -16.113 16.335 2.040 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -14.893 16.290 3.297 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.341 14.067 3.860 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -17.024 14.166 3.381 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -14.892 14.442 1.252 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -15.249 12.846 1.882 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.374 14.743 0.778 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -16.599 13.493 -0.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -18.381 12.342 0.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -17.345 12.029 1.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -18.529 13.239 2.005 1.00 0.00 H new ATOM 1037 N ILE A 64 -16.246 18.943 3.844 1.00 0.00 N ATOM 1038 CA ILE A 64 -16.430 20.355 3.556 1.00 0.00 C ATOM 1039 C ILE A 64 -15.547 20.749 2.370 1.00 0.00 C ATOM 1040 O ILE A 64 -14.327 20.601 2.423 1.00 0.00 O ATOM 1041 CB ILE A 64 -16.183 21.194 4.812 1.00 0.00 C ATOM 1042 CG1 ILE A 64 -16.991 22.492 4.772 1.00 0.00 C ATOM 1043 CG2 ILE A 64 -14.688 21.455 5.011 1.00 0.00 C ATOM 1044 CD1 ILE A 64 -17.052 23.143 6.155 1.00 0.00 C ATOM 0 H ILE A 64 -15.312 18.692 4.167 1.00 0.00 H new ATOM 0 HA ILE A 64 -17.462 20.553 3.265 1.00 0.00 H new ATOM 0 HB ILE A 64 -16.529 20.626 5.676 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -16.540 23.183 4.060 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -18.001 22.285 4.419 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -14.540 22.053 5.910 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -14.164 20.505 5.116 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -14.295 21.993 4.148 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -17.632 24.064 6.098 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -17.526 22.458 6.859 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -16.042 23.371 6.495 1.00 0.00 H new ATOM 1056 N PRO A 65 -16.216 21.256 1.300 1.00 0.00 N ATOM 1057 CA PRO A 65 -15.506 21.672 0.102 1.00 0.00 C ATOM 1058 C PRO A 65 -14.786 23.004 0.327 1.00 0.00 C ATOM 1059 O PRO A 65 -14.781 23.531 1.438 1.00 0.00 O ATOM 1060 CB PRO A 65 -16.570 21.748 -0.980 1.00 0.00 C ATOM 1061 CG PRO A 65 -17.902 21.825 -0.251 1.00 0.00 C ATOM 1062 CD PRO A 65 -17.660 21.446 1.201 1.00 0.00 C ATOM 0 HA PRO A 65 -14.717 20.976 -0.183 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -16.421 22.622 -1.614 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -16.530 20.873 -1.629 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -18.317 22.831 -0.319 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -18.626 21.150 -0.706 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -18.003 22.229 1.877 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -18.198 20.536 1.468 1.00 0.00 H new ATOM 1070 N ARG A 66 -14.195 23.508 -0.746 1.00 0.00 N ATOM 1071 CA ARG A 66 -13.473 24.768 -0.680 1.00 0.00 C ATOM 1072 C ARG A 66 -14.213 25.757 0.223 1.00 0.00 C ATOM 1073 O ARG A 66 -15.338 26.156 -0.078 1.00 0.00 O ATOM 1074 CB ARG A 66 -13.309 25.382 -2.072 1.00 0.00 C ATOM 1075 CG ARG A 66 -14.643 25.409 -2.820 1.00 0.00 C ATOM 1076 CD ARG A 66 -14.755 24.227 -3.785 1.00 0.00 C ATOM 1077 NE ARG A 66 -16.100 23.619 -3.686 1.00 0.00 N ATOM 1078 CZ ARG A 66 -16.391 22.370 -4.076 1.00 0.00 C ATOM 1079 NH1 ARG A 66 -15.432 21.590 -4.593 1.00 0.00 N ATOM 1080 NH2 ARG A 66 -17.640 21.902 -3.949 1.00 0.00 N ATOM 0 H ARG A 66 -14.201 23.067 -1.666 1.00 0.00 H new ATOM 0 HA ARG A 66 -12.485 24.563 -0.267 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -12.918 26.395 -1.983 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -12.579 24.808 -2.643 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -15.465 25.379 -2.105 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.735 26.344 -3.372 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -14.573 24.562 -4.806 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -13.993 23.483 -3.552 1.00 0.00 H new ATOM 0 HE ARG A 66 -16.853 24.186 -3.296 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -14.481 21.947 -4.690 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -15.653 20.639 -4.890 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -18.370 22.496 -3.555 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -17.861 20.952 -4.246 1.00 0.00 H new ATOM 1094 N GLU A 67 -13.553 26.125 1.311 1.00 0.00 N ATOM 1095 CA GLU A 67 -14.134 27.060 2.259 1.00 0.00 C ATOM 1096 C GLU A 67 -13.360 28.380 2.245 1.00 0.00 C ATOM 1097 O GLU A 67 -12.242 28.443 1.738 1.00 0.00 O ATOM 1098 CB GLU A 67 -14.172 26.461 3.666 1.00 0.00 C ATOM 1099 CG GLU A 67 -15.501 25.748 3.923 1.00 0.00 C ATOM 1100 CD GLU A 67 -16.676 26.720 3.806 1.00 0.00 C ATOM 1101 OE1 GLU A 67 -17.196 26.848 2.677 1.00 0.00 O ATOM 1102 OE2 GLU A 67 -17.029 27.313 4.849 1.00 0.00 O ATOM 0 H GLU A 67 -12.621 25.792 1.557 1.00 0.00 H new ATOM 0 HA GLU A 67 -15.162 27.261 1.958 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.348 25.758 3.788 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.030 27.250 4.405 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -15.625 24.934 3.209 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.492 25.301 4.917 1.00 0.00 H new ATOM 1109 N PRO A 68 -14.004 29.429 2.823 1.00 0.00 N ATOM 1110 CA PRO A 68 -13.388 30.744 2.882 1.00 0.00 C ATOM 1111 C PRO A 68 -12.289 30.788 3.945 1.00 0.00 C ATOM 1112 O PRO A 68 -12.493 31.324 5.033 1.00 0.00 O ATOM 1113 CB PRO A 68 -14.533 31.702 3.172 1.00 0.00 C ATOM 1114 CG PRO A 68 -15.662 30.847 3.723 1.00 0.00 C ATOM 1115 CD PRO A 68 -15.329 29.392 3.434 1.00 0.00 C ATOM 0 HA PRO A 68 -12.885 31.014 1.954 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -14.232 32.463 3.892 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.844 32.224 2.267 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -15.774 31.007 4.795 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -16.610 31.121 3.259 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -15.327 28.797 4.347 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -16.062 28.944 2.763 1.00 0.00 H new ATOM 1123 N GLY A 69 -11.146 30.217 3.593 1.00 0.00 N ATOM 1124 CA GLY A 69 -10.014 30.184 4.503 1.00 0.00 C ATOM 1125 C GLY A 69 -9.222 28.884 4.346 1.00 0.00 C ATOM 1126 O GLY A 69 -8.874 28.242 5.336 1.00 0.00 O ATOM 0 H GLY A 69 -10.980 29.773 2.690 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.363 31.036 4.310 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.366 30.278 5.530 1.00 0.00 H new ATOM 1130 N ASN A 70 -8.961 28.535 3.095 1.00 0.00 N ATOM 1131 CA ASN A 70 -8.217 27.324 2.796 1.00 0.00 C ATOM 1132 C ASN A 70 -6.939 27.690 2.037 1.00 0.00 C ATOM 1133 O ASN A 70 -6.953 27.816 0.814 1.00 0.00 O ATOM 1134 CB ASN A 70 -9.035 26.378 1.914 1.00 0.00 C ATOM 1135 CG ASN A 70 -10.390 26.068 2.554 1.00 0.00 C ATOM 1136 OD1 ASN A 70 -11.021 26.909 3.173 1.00 0.00 O ATOM 1137 ND2 ASN A 70 -10.800 24.816 2.370 1.00 0.00 N ATOM 0 H ASN A 70 -9.252 29.070 2.277 1.00 0.00 H new ATOM 0 HA ASN A 70 -7.986 26.829 3.739 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.186 26.829 0.933 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.482 25.452 1.757 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -11.692 24.509 2.758 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -10.222 24.163 1.841 1.00 0.00 H new ATOM 1144 N PRO A 71 -5.836 27.854 2.816 1.00 0.00 N ATOM 1145 CA PRO A 71 -4.552 28.203 2.231 1.00 0.00 C ATOM 1146 C PRO A 71 -3.922 26.996 1.532 1.00 0.00 C ATOM 1147 O PRO A 71 -2.785 26.629 1.825 1.00 0.00 O ATOM 1148 CB PRO A 71 -3.718 28.720 3.392 1.00 0.00 C ATOM 1149 CG PRO A 71 -4.397 28.209 4.652 1.00 0.00 C ATOM 1150 CD PRO A 71 -5.781 27.713 4.268 1.00 0.00 C ATOM 0 HA PRO A 71 -4.637 28.960 1.451 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -2.692 28.359 3.327 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.673 29.809 3.386 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -3.814 27.404 5.100 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.469 29.003 5.396 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -5.928 26.676 4.571 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.561 28.301 4.753 1.00 0.00 H new ATOM 1158 N GLY A 72 -4.688 26.413 0.622 1.00 0.00 N ATOM 1159 CA GLY A 72 -4.219 25.256 -0.121 1.00 0.00 C ATOM 1160 C GLY A 72 -4.636 23.956 0.570 1.00 0.00 C ATOM 1161 O GLY A 72 -5.040 23.000 -0.090 1.00 0.00 O ATOM 0 H GLY A 72 -5.631 26.720 0.382 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.624 25.280 -1.133 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.133 25.292 -0.211 1.00 0.00 H new ATOM 1165 N LYS A 73 -4.523 23.962 1.890 1.00 0.00 N ATOM 1166 CA LYS A 73 -4.882 22.795 2.678 1.00 0.00 C ATOM 1167 C LYS A 73 -5.509 23.249 3.998 1.00 0.00 C ATOM 1168 O LYS A 73 -4.945 23.022 5.067 1.00 0.00 O ATOM 1169 CB LYS A 73 -3.673 21.875 2.856 1.00 0.00 C ATOM 1170 CG LYS A 73 -3.640 20.797 1.771 1.00 0.00 C ATOM 1171 CD LYS A 73 -2.203 20.500 1.336 1.00 0.00 C ATOM 1172 CE LYS A 73 -2.086 19.090 0.755 1.00 0.00 C ATOM 1173 NZ LYS A 73 -0.667 18.675 0.683 1.00 0.00 N ATOM 0 H LYS A 73 -4.188 24.757 2.434 1.00 0.00 H new ATOM 0 HA LYS A 73 -5.632 22.200 2.156 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.756 22.463 2.818 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -3.710 21.406 3.839 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -4.106 19.885 2.145 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.224 21.124 0.911 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.886 21.231 0.592 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.533 20.602 2.189 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -2.645 18.388 1.373 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -2.530 19.062 -0.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.606 17.716 0.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.143 19.335 0.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.254 18.682 1.638 1.00 0.00 H new ATOM 1187 N GLY A 74 -6.667 23.882 3.879 1.00 0.00 N ATOM 1188 CA GLY A 74 -7.376 24.370 5.049 1.00 0.00 C ATOM 1189 C GLY A 74 -8.861 24.007 4.982 1.00 0.00 C ATOM 1190 O GLY A 74 -9.701 24.863 4.710 1.00 0.00 O ATOM 0 H GLY A 74 -7.132 24.068 2.990 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -6.934 23.944 5.950 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.265 25.452 5.120 1.00 0.00 H new ATOM 1194 N ASN A 75 -9.138 22.736 5.233 1.00 0.00 N ATOM 1195 CA ASN A 75 -10.507 22.249 5.204 1.00 0.00 C ATOM 1196 C ASN A 75 -10.732 21.301 6.384 1.00 0.00 C ATOM 1197 O ASN A 75 -9.862 21.154 7.241 1.00 0.00 O ATOM 1198 CB ASN A 75 -10.789 21.474 3.915 1.00 0.00 C ATOM 1199 CG ASN A 75 -10.006 20.160 3.882 1.00 0.00 C ATOM 1200 OD1 ASN A 75 -8.959 20.017 4.492 1.00 0.00 O ATOM 1201 ND2 ASN A 75 -10.570 19.213 3.139 1.00 0.00 N ATOM 0 H ASN A 75 -8.438 22.029 5.457 1.00 0.00 H new ATOM 0 HA ASN A 75 -11.172 23.111 5.260 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -11.856 21.267 3.837 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -10.519 22.084 3.053 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -10.125 18.299 3.053 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -11.448 19.400 2.655 1.00 0.00 H new ATOM 1208 N TYR A 76 -11.903 20.682 6.390 1.00 0.00 N ATOM 1209 CA TYR A 76 -12.253 19.752 7.450 1.00 0.00 C ATOM 1210 C TYR A 76 -13.414 18.850 7.027 1.00 0.00 C ATOM 1211 O TYR A 76 -14.243 19.242 6.207 1.00 0.00 O ATOM 1212 CB TYR A 76 -12.697 20.612 8.635 1.00 0.00 C ATOM 1213 CG TYR A 76 -12.406 22.105 8.465 1.00 0.00 C ATOM 1214 CD1 TYR A 76 -11.166 22.608 8.801 1.00 0.00 C ATOM 1215 CD2 TYR A 76 -13.384 22.947 7.976 1.00 0.00 C ATOM 1216 CE1 TYR A 76 -10.892 24.013 8.641 1.00 0.00 C ATOM 1217 CE2 TYR A 76 -13.110 24.352 7.816 1.00 0.00 C ATOM 1218 CZ TYR A 76 -11.878 24.815 8.156 1.00 0.00 C ATOM 1219 OH TYR A 76 -11.619 26.142 8.005 1.00 0.00 O ATOM 0 H TYR A 76 -12.622 20.806 5.677 1.00 0.00 H new ATOM 0 HA TYR A 76 -11.406 19.110 7.693 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -13.768 20.476 8.788 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -12.198 20.256 9.536 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -10.401 21.949 9.184 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -14.354 22.553 7.713 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -9.926 24.420 8.900 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -13.866 25.022 7.435 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.413 26.592 7.649 1.00 0.00 H new ATOM 1229 N TRP A 77 -13.436 17.658 7.606 1.00 0.00 N ATOM 1230 CA TRP A 77 -14.481 16.696 7.299 1.00 0.00 C ATOM 1231 C TRP A 77 -15.226 16.377 8.597 1.00 0.00 C ATOM 1232 O TRP A 77 -14.848 16.853 9.666 1.00 0.00 O ATOM 1233 CB TRP A 77 -13.901 15.453 6.621 1.00 0.00 C ATOM 1234 CG TRP A 77 -13.235 15.733 5.272 1.00 0.00 C ATOM 1235 CD1 TRP A 77 -12.798 16.906 4.796 1.00 0.00 C ATOM 1236 CD2 TRP A 77 -12.948 14.768 4.239 1.00 0.00 C ATOM 1237 NE1 TRP A 77 -12.252 16.769 3.536 1.00 0.00 N ATOM 1238 CE2 TRP A 77 -12.346 15.427 3.186 1.00 0.00 C ATOM 1239 CE3 TRP A 77 -13.189 13.383 4.194 1.00 0.00 C ATOM 1240 CZ2 TRP A 77 -11.935 14.783 2.013 1.00 0.00 C ATOM 1241 CZ3 TRP A 77 -12.772 12.754 3.015 1.00 0.00 C ATOM 1242 CH2 TRP A 77 -12.165 13.404 1.947 1.00 0.00 C ATOM 0 H TRP A 77 -12.747 17.337 8.286 1.00 0.00 H new ATOM 0 HA TRP A 77 -15.190 17.112 6.584 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -13.170 14.996 7.288 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -14.699 14.725 6.476 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -12.865 17.842 5.331 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -11.853 17.515 2.966 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -13.659 12.847 5.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -11.466 15.321 1.203 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -12.933 11.690 2.929 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -11.872 12.847 1.069 1.00 0.00 H new ATOM 1253 N THR A 78 -16.270 15.574 8.460 1.00 0.00 N ATOM 1254 CA THR A 78 -17.071 15.186 9.608 1.00 0.00 C ATOM 1255 C THR A 78 -17.582 13.753 9.442 1.00 0.00 C ATOM 1256 O THR A 78 -18.236 13.434 8.451 1.00 0.00 O ATOM 1257 CB THR A 78 -18.191 16.215 9.773 1.00 0.00 C ATOM 1258 OG1 THR A 78 -17.511 17.413 10.138 1.00 0.00 O ATOM 1259 CG2 THR A 78 -19.090 15.915 10.975 1.00 0.00 C ATOM 0 H THR A 78 -16.580 15.181 7.571 1.00 0.00 H new ATOM 0 HA THR A 78 -16.477 15.182 10.522 1.00 0.00 H new ATOM 0 HB THR A 78 -18.795 16.242 8.866 1.00 0.00 H new ATOM 0 HG1 THR A 78 -18.163 18.134 10.263 1.00 0.00 H new ATOM 0 HG21 THR A 78 -19.868 16.675 11.046 1.00 0.00 H new ATOM 0 HG22 THR A 78 -19.551 14.935 10.849 1.00 0.00 H new ATOM 0 HG23 THR A 78 -18.493 15.921 11.887 1.00 0.00 H new ATOM 1267 N LEU A 79 -17.264 12.928 10.429 1.00 0.00 N ATOM 1268 CA LEU A 79 -17.682 11.536 10.405 1.00 0.00 C ATOM 1269 C LEU A 79 -18.657 11.281 11.556 1.00 0.00 C ATOM 1270 O LEU A 79 -18.613 11.970 12.575 1.00 0.00 O ATOM 1271 CB LEU A 79 -16.465 10.610 10.413 1.00 0.00 C ATOM 1272 CG LEU A 79 -16.758 9.117 10.574 1.00 0.00 C ATOM 1273 CD1 LEU A 79 -15.849 8.280 9.673 1.00 0.00 C ATOM 1274 CD2 LEU A 79 -16.660 8.694 12.041 1.00 0.00 C ATOM 0 H LEU A 79 -16.722 13.197 11.250 1.00 0.00 H new ATOM 0 HA LEU A 79 -18.215 11.315 9.480 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -15.918 10.754 9.481 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -15.803 10.919 11.222 1.00 0.00 H new ATOM 0 HG LEU A 79 -17.784 8.934 10.255 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -16.078 7.223 9.807 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -16.013 8.558 8.632 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -14.807 8.462 9.937 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -16.873 7.628 12.127 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -15.655 8.894 12.411 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -17.383 9.257 12.631 1.00 0.00 H new ATOM 1286 N ASP A 80 -19.513 10.290 11.356 1.00 0.00 N ATOM 1287 CA ASP A 80 -20.497 9.936 12.365 1.00 0.00 C ATOM 1288 C ASP A 80 -19.841 9.040 13.418 1.00 0.00 C ATOM 1289 O ASP A 80 -18.955 8.249 13.100 1.00 0.00 O ATOM 1290 CB ASP A 80 -21.665 9.164 11.749 1.00 0.00 C ATOM 1291 CG ASP A 80 -23.033 9.833 11.897 1.00 0.00 C ATOM 1292 OD1 ASP A 80 -23.044 11.074 12.047 1.00 0.00 O ATOM 1293 OD2 ASP A 80 -24.036 9.088 11.858 1.00 0.00 O ATOM 0 H ASP A 80 -19.546 9.721 10.510 1.00 0.00 H new ATOM 0 HA ASP A 80 -20.870 10.858 12.811 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -21.463 9.015 10.688 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -21.709 8.176 12.207 1.00 0.00 H new ATOM 1298 N PRO A 81 -20.315 9.199 14.683 1.00 0.00 N ATOM 1299 CA PRO A 81 -19.784 8.413 15.784 1.00 0.00 C ATOM 1300 C PRO A 81 -20.304 6.975 15.733 1.00 0.00 C ATOM 1301 O PRO A 81 -21.217 6.614 16.474 1.00 0.00 O ATOM 1302 CB PRO A 81 -20.214 9.156 17.039 1.00 0.00 C ATOM 1303 CG PRO A 81 -21.356 10.065 16.615 1.00 0.00 C ATOM 1304 CD PRO A 81 -21.364 10.126 15.097 1.00 0.00 C ATOM 0 HA PRO A 81 -18.699 8.315 15.746 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -20.536 8.460 17.814 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -19.388 9.734 17.453 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -22.307 9.682 16.987 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -21.227 11.062 17.036 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -22.333 9.833 14.694 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -21.163 11.136 14.740 1.00 0.00 H new ATOM 1312 N GLN A 82 -19.700 6.193 14.850 1.00 0.00 N ATOM 1313 CA GLN A 82 -20.090 4.802 14.692 1.00 0.00 C ATOM 1314 C GLN A 82 -19.250 4.136 13.601 1.00 0.00 C ATOM 1315 O GLN A 82 -19.765 3.349 12.809 1.00 0.00 O ATOM 1316 CB GLN A 82 -21.584 4.684 14.383 1.00 0.00 C ATOM 1317 CG GLN A 82 -21.922 5.352 13.049 1.00 0.00 C ATOM 1318 CD GLN A 82 -23.436 5.437 12.847 1.00 0.00 C ATOM 1319 OE1 GLN A 82 -24.070 6.443 13.120 1.00 0.00 O ATOM 1320 NE2 GLN A 82 -23.980 4.327 12.354 1.00 0.00 N ATOM 0 H GLN A 82 -18.944 6.496 14.237 1.00 0.00 H new ATOM 0 HA GLN A 82 -19.905 4.283 15.633 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -21.870 3.633 14.350 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -22.162 5.147 15.183 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -21.491 6.353 13.020 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -21.473 4.788 12.232 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -23.392 3.519 12.147 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -24.985 4.284 12.183 1.00 0.00 H new ATOM 1329 N SER A 83 -17.969 4.476 13.595 1.00 0.00 N ATOM 1330 CA SER A 83 -17.052 3.920 12.614 1.00 0.00 C ATOM 1331 C SER A 83 -16.615 2.518 13.042 1.00 0.00 C ATOM 1332 O SER A 83 -16.486 1.623 12.208 1.00 0.00 O ATOM 1333 CB SER A 83 -15.831 4.823 12.428 1.00 0.00 C ATOM 1334 OG SER A 83 -14.779 4.490 13.329 1.00 0.00 O ATOM 0 H SER A 83 -17.545 5.129 14.254 1.00 0.00 H new ATOM 0 HA SER A 83 -17.572 3.856 11.658 1.00 0.00 H new ATOM 0 HB2 SER A 83 -15.471 4.739 11.403 1.00 0.00 H new ATOM 0 HB3 SER A 83 -16.122 5.862 12.579 1.00 0.00 H new ATOM 0 HG SER A 83 -14.017 5.088 13.178 1.00 0.00 H new ATOM 1340 N GLU A 84 -16.399 2.371 14.341 1.00 0.00 N ATOM 1341 CA GLU A 84 -15.979 1.092 14.889 1.00 0.00 C ATOM 1342 C GLU A 84 -16.984 0.000 14.519 1.00 0.00 C ATOM 1343 O GLU A 84 -16.595 -1.092 14.108 1.00 0.00 O ATOM 1344 CB GLU A 84 -15.798 1.179 16.406 1.00 0.00 C ATOM 1345 CG GLU A 84 -14.526 1.951 16.763 1.00 0.00 C ATOM 1346 CD GLU A 84 -14.787 2.942 17.899 1.00 0.00 C ATOM 1347 OE1 GLU A 84 -15.423 2.518 18.888 1.00 0.00 O ATOM 1348 OE2 GLU A 84 -14.343 4.102 17.753 1.00 0.00 O ATOM 0 H GLU A 84 -16.507 3.116 15.030 1.00 0.00 H new ATOM 0 HA GLU A 84 -15.014 0.832 14.455 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -16.663 1.670 16.851 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -15.749 0.175 16.828 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.743 1.252 17.058 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.162 2.486 15.885 1.00 0.00 H new ATOM 1355 N ASP A 85 -18.257 0.332 14.678 1.00 0.00 N ATOM 1356 CA ASP A 85 -19.320 -0.607 14.365 1.00 0.00 C ATOM 1357 C ASP A 85 -19.228 -1.002 12.890 1.00 0.00 C ATOM 1358 O ASP A 85 -19.385 -2.173 12.546 1.00 0.00 O ATOM 1359 CB ASP A 85 -20.696 0.019 14.602 1.00 0.00 C ATOM 1360 CG ASP A 85 -21.750 -0.932 15.170 1.00 0.00 C ATOM 1361 OD1 ASP A 85 -21.535 -1.405 16.307 1.00 0.00 O ATOM 1362 OD2 ASP A 85 -22.748 -1.165 14.454 1.00 0.00 O ATOM 0 H ASP A 85 -18.576 1.239 15.020 1.00 0.00 H new ATOM 0 HA ASP A 85 -19.203 -1.476 15.012 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -20.583 0.861 15.285 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -21.063 0.421 13.658 1.00 0.00 H new ATOM 1367 N MET A 86 -18.975 -0.003 12.057 1.00 0.00 N ATOM 1368 CA MET A 86 -18.861 -0.231 10.627 1.00 0.00 C ATOM 1369 C MET A 86 -17.743 -1.228 10.319 1.00 0.00 C ATOM 1370 O MET A 86 -17.865 -2.040 9.403 1.00 0.00 O ATOM 1371 CB MET A 86 -18.573 1.095 9.920 1.00 0.00 C ATOM 1372 CG MET A 86 -18.407 0.888 8.413 1.00 0.00 C ATOM 1373 SD MET A 86 -16.674 0.795 7.996 1.00 0.00 S ATOM 1374 CE MET A 86 -16.153 2.436 8.470 1.00 0.00 C ATOM 0 H MET A 86 -18.846 0.967 12.346 1.00 0.00 H new ATOM 0 HA MET A 86 -19.802 -0.647 10.268 1.00 0.00 H new ATOM 0 HB2 MET A 86 -19.387 1.795 10.107 1.00 0.00 H new ATOM 0 HB3 MET A 86 -17.668 1.541 10.331 1.00 0.00 H new ATOM 0 HG2 MET A 86 -18.913 -0.027 8.106 1.00 0.00 H new ATOM 0 HG3 MET A 86 -18.876 1.709 7.871 1.00 0.00 H new ATOM 0 HE1 MET A 86 -15.320 2.749 7.841 1.00 0.00 H new ATOM 0 HE2 MET A 86 -16.983 3.131 8.346 1.00 0.00 H new ATOM 0 HE3 MET A 86 -15.837 2.430 9.513 1.00 0.00 H new ATOM 1384 N PHE A 87 -16.678 -1.135 11.101 1.00 0.00 N ATOM 1385 CA PHE A 87 -15.539 -2.019 10.923 1.00 0.00 C ATOM 1386 C PHE A 87 -15.889 -3.453 11.325 1.00 0.00 C ATOM 1387 O PHE A 87 -15.729 -4.381 10.534 1.00 0.00 O ATOM 1388 CB PHE A 87 -14.425 -1.504 11.837 1.00 0.00 C ATOM 1389 CG PHE A 87 -13.458 -0.534 11.154 1.00 0.00 C ATOM 1390 CD1 PHE A 87 -13.937 0.568 10.517 1.00 0.00 C ATOM 1391 CD2 PHE A 87 -12.120 -0.775 11.183 1.00 0.00 C ATOM 1392 CE1 PHE A 87 -13.039 1.467 9.883 1.00 0.00 C ATOM 1393 CE2 PHE A 87 -11.223 0.124 10.549 1.00 0.00 C ATOM 1394 CZ PHE A 87 -11.701 1.226 9.912 1.00 0.00 C ATOM 0 H PHE A 87 -16.580 -0.461 11.860 1.00 0.00 H new ATOM 0 HA PHE A 87 -15.236 -2.027 9.876 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -14.875 -1.007 12.697 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -13.861 -2.354 12.220 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -15.000 0.759 10.493 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -11.740 -1.650 11.688 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -13.419 2.343 9.378 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -10.160 -0.067 10.573 1.00 0.00 H new ATOM 0 HZ PHE A 87 -11.018 1.910 9.429 1.00 0.00 H new