USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 606 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 72 SER OG : rot -109:sc= 0.921 USER MOD Set 1.2: A 97 THR OG1 : rot -169:sc= 1.27 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 23 SER OG : rot 180:sc= -0.201 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -160:sc= -0.752 USER MOD Single : A 25 THR OG1 : rot 70:sc= -0.818 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 1.72 K(o=1.7,f=-7.8!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.568 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.0461 USER MOD Single : A 42 GLN : amide:sc= -0.0826 X(o=-0.083,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.0579 X(o=-0.058,f=0) USER MOD Single : A 60 THR OG1 : rot 118:sc= 0.0127 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.2 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -1.12 K(o=-1.1,f=-11!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 113:sc= 0.856 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 17.052 -15.120 2.333 1.00 0.00 N ATOM 60 CA GLY A 7 16.825 -13.944 1.514 1.00 0.00 C ATOM 61 C GLY A 7 17.061 -12.654 2.274 1.00 0.00 C ATOM 62 O GLY A 7 17.644 -12.645 3.358 1.00 0.00 O ATOM 0 HA2 GLY A 7 17.484 -13.977 0.646 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.802 -13.959 1.138 1.00 0.00 H new ATOM 66 N PRO A 8 16.601 -11.532 1.700 1.00 0.00 N ATOM 67 CA PRO A 8 16.755 -10.209 2.313 1.00 0.00 C ATOM 68 C PRO A 8 15.890 -10.043 3.558 1.00 0.00 C ATOM 69 O PRO A 8 15.217 -10.980 3.989 1.00 0.00 O ATOM 70 CB PRO A 8 16.294 -9.252 1.211 1.00 0.00 C ATOM 71 CG PRO A 8 15.368 -10.061 0.369 1.00 0.00 C ATOM 72 CD PRO A 8 15.896 -11.468 0.410 1.00 0.00 C ATOM 0 HA PRO A 8 17.776 -10.032 2.651 1.00 0.00 H new ATOM 0 HB2 PRO A 8 15.790 -8.381 1.629 1.00 0.00 H new ATOM 0 HB3 PRO A 8 17.138 -8.883 0.629 1.00 0.00 H new ATOM 0 HG2 PRO A 8 14.349 -10.015 0.754 1.00 0.00 H new ATOM 0 HG3 PRO A 8 15.340 -9.684 -0.653 1.00 0.00 H new ATOM 0 HD2 PRO A 8 15.091 -12.201 0.356 1.00 0.00 H new ATOM 0 HD3 PRO A 8 16.567 -11.669 -0.425 1.00 0.00 H new ATOM 80 N LYS A 9 15.912 -8.846 4.133 1.00 0.00 N ATOM 81 CA LYS A 9 15.129 -8.555 5.329 1.00 0.00 C ATOM 82 C LYS A 9 13.943 -7.656 4.997 1.00 0.00 C ATOM 83 O LYS A 9 13.955 -6.908 4.019 1.00 0.00 O ATOM 84 CB LYS A 9 16.008 -7.888 6.389 1.00 0.00 C ATOM 85 CG LYS A 9 17.024 -8.826 7.015 1.00 0.00 C ATOM 86 CD LYS A 9 16.381 -9.736 8.049 1.00 0.00 C ATOM 87 CE LYS A 9 17.194 -11.005 8.257 1.00 0.00 C ATOM 88 NZ LYS A 9 16.891 -12.033 7.224 1.00 0.00 N ATOM 0 H LYS A 9 16.464 -8.060 3.790 1.00 0.00 H new ATOM 0 HA LYS A 9 14.749 -9.498 5.722 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.533 -7.047 5.936 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.370 -7.481 7.174 1.00 0.00 H new ATOM 0 HG2 LYS A 9 17.490 -9.430 6.237 1.00 0.00 H new ATOM 0 HG3 LYS A 9 17.817 -8.244 7.484 1.00 0.00 H new ATOM 0 HD2 LYS A 9 16.287 -9.204 8.995 1.00 0.00 H new ATOM 0 HD3 LYS A 9 15.372 -9.997 7.729 1.00 0.00 H new ATOM 0 HE2 LYS A 9 18.257 -10.764 8.229 1.00 0.00 H new ATOM 0 HE3 LYS A 9 16.985 -11.412 9.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 17.465 -12.882 7.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 15.882 -12.282 7.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 17.114 -11.654 6.281 1.00 0.00 H new ATOM 102 N PRO A 10 12.893 -7.728 5.829 1.00 0.00 N ATOM 103 CA PRO A 10 11.680 -6.926 5.645 1.00 0.00 C ATOM 104 C PRO A 10 11.919 -5.444 5.916 1.00 0.00 C ATOM 105 O PRO A 10 12.717 -5.066 6.774 1.00 0.00 O ATOM 106 CB PRO A 10 10.710 -7.508 6.675 1.00 0.00 C ATOM 107 CG PRO A 10 11.584 -8.100 7.727 1.00 0.00 C ATOM 108 CD PRO A 10 12.810 -8.598 7.014 1.00 0.00 C ATOM 0 HA PRO A 10 11.312 -6.972 4.620 1.00 0.00 H new ATOM 0 HB2 PRO A 10 10.061 -6.736 7.088 1.00 0.00 H new ATOM 0 HB3 PRO A 10 10.063 -8.262 6.227 1.00 0.00 H new ATOM 0 HG2 PRO A 10 11.845 -7.357 8.481 1.00 0.00 H new ATOM 0 HG3 PRO A 10 11.076 -8.914 8.244 1.00 0.00 H new ATOM 0 HD2 PRO A 10 13.700 -8.513 7.638 1.00 0.00 H new ATOM 0 HD3 PRO A 10 12.715 -9.648 6.736 1.00 0.00 H new ATOM 116 N PRO A 11 11.211 -4.584 5.170 1.00 0.00 N ATOM 117 CA PRO A 11 11.328 -3.129 5.313 1.00 0.00 C ATOM 118 C PRO A 11 10.739 -2.627 6.627 1.00 0.00 C ATOM 119 O PRO A 11 9.786 -3.204 7.151 1.00 0.00 O ATOM 120 CB PRO A 11 10.525 -2.590 4.126 1.00 0.00 C ATOM 121 CG PRO A 11 9.547 -3.669 3.809 1.00 0.00 C ATOM 122 CD PRO A 11 10.241 -4.964 4.129 1.00 0.00 C ATOM 0 HA PRO A 11 12.368 -2.803 5.325 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.019 -1.659 4.381 1.00 0.00 H new ATOM 0 HB3 PRO A 11 11.171 -2.379 3.274 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.638 -3.557 4.400 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.252 -3.633 2.760 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.540 -5.717 4.489 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.736 -5.382 3.252 1.00 0.00 H new ATOM 130 N ILE A 12 11.311 -1.549 7.152 1.00 0.00 N ATOM 131 CA ILE A 12 10.841 -0.969 8.404 1.00 0.00 C ATOM 132 C ILE A 12 10.346 0.459 8.196 1.00 0.00 C ATOM 133 O ILE A 12 10.370 0.979 7.081 1.00 0.00 O ATOM 134 CB ILE A 12 11.948 -0.966 9.474 1.00 0.00 C ATOM 135 CG1 ILE A 12 13.181 -0.217 8.962 1.00 0.00 C ATOM 136 CG2 ILE A 12 12.311 -2.390 9.865 1.00 0.00 C ATOM 137 CD1 ILE A 12 14.256 -0.035 10.010 1.00 0.00 C ATOM 0 H ILE A 12 12.100 -1.060 6.730 1.00 0.00 H new ATOM 0 HA ILE A 12 10.015 -1.591 8.750 1.00 0.00 H new ATOM 0 HB ILE A 12 11.575 -0.451 10.359 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.600 -0.760 8.114 1.00 0.00 H new ATOM 0 HG13 ILE A 12 12.874 0.762 8.594 1.00 0.00 H new ATOM 0 HG21 ILE A 12 13.095 -2.371 10.622 1.00 0.00 H new ATOM 0 HG22 ILE A 12 11.431 -2.893 10.266 1.00 0.00 H new ATOM 0 HG23 ILE A 12 12.668 -2.929 8.987 1.00 0.00 H new ATOM 0 HD11 ILE A 12 15.099 0.503 9.577 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.854 0.534 10.848 1.00 0.00 H new ATOM 0 HD13 ILE A 12 14.591 -1.011 10.361 1.00 0.00 H new ATOM 149 N ASP A 13 9.899 1.087 9.278 1.00 0.00 N ATOM 150 CA ASP A 13 9.401 2.456 9.216 1.00 0.00 C ATOM 151 C ASP A 13 8.196 2.555 8.286 1.00 0.00 C ATOM 152 O ASP A 13 7.993 3.570 7.619 1.00 0.00 O ATOM 153 CB ASP A 13 10.505 3.402 8.741 1.00 0.00 C ATOM 154 CG ASP A 13 10.347 4.803 9.300 1.00 0.00 C ATOM 155 OD1 ASP A 13 9.853 4.936 10.439 1.00 0.00 O ATOM 156 OD2 ASP A 13 10.718 5.766 8.598 1.00 0.00 O ATOM 0 H ASP A 13 9.871 0.670 10.208 1.00 0.00 H new ATOM 0 HA ASP A 13 9.089 2.748 10.219 1.00 0.00 H new ATOM 0 HB2 ASP A 13 11.475 3.003 9.038 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.499 3.446 7.652 1.00 0.00 H new ATOM 161 N LEU A 14 7.398 1.493 8.246 1.00 0.00 N ATOM 162 CA LEU A 14 6.213 1.458 7.397 1.00 0.00 C ATOM 163 C LEU A 14 5.126 2.380 7.941 1.00 0.00 C ATOM 164 O LEU A 14 4.526 2.105 8.980 1.00 0.00 O ATOM 165 CB LEU A 14 5.678 0.029 7.291 1.00 0.00 C ATOM 166 CG LEU A 14 4.935 -0.317 6.000 1.00 0.00 C ATOM 167 CD1 LEU A 14 5.889 -0.303 4.816 1.00 0.00 C ATOM 168 CD2 LEU A 14 4.254 -1.671 6.123 1.00 0.00 C ATOM 0 H LEU A 14 7.551 0.645 8.792 1.00 0.00 H new ATOM 0 HA LEU A 14 6.498 1.807 6.405 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.516 -0.660 7.400 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.007 -0.149 8.131 1.00 0.00 H new ATOM 0 HG LEU A 14 4.168 0.438 5.831 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.343 -0.551 3.906 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.330 0.689 4.716 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.679 -1.036 4.977 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.730 -1.901 5.195 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.003 -2.439 6.316 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.540 -1.646 6.946 1.00 0.00 H new ATOM 180 N VAL A 15 4.877 3.476 7.231 1.00 0.00 N ATOM 181 CA VAL A 15 3.861 4.438 7.640 1.00 0.00 C ATOM 182 C VAL A 15 3.241 5.131 6.432 1.00 0.00 C ATOM 183 O VAL A 15 3.731 5.001 5.310 1.00 0.00 O ATOM 184 CB VAL A 15 4.445 5.504 8.586 1.00 0.00 C ATOM 185 CG1 VAL A 15 3.350 6.105 9.455 1.00 0.00 C ATOM 186 CG2 VAL A 15 5.549 4.906 9.445 1.00 0.00 C ATOM 0 H VAL A 15 5.365 3.720 6.369 1.00 0.00 H new ATOM 0 HA VAL A 15 3.090 3.877 8.168 1.00 0.00 H new ATOM 0 HB VAL A 15 4.877 6.303 7.983 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.782 6.856 10.117 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.596 6.571 8.820 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.887 5.319 10.052 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.950 5.673 10.107 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.144 4.088 10.041 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.345 4.528 8.803 1.00 0.00 H new ATOM 196 N VAL A 16 2.162 5.869 6.669 1.00 0.00 N ATOM 197 CA VAL A 16 1.475 6.585 5.600 1.00 0.00 C ATOM 198 C VAL A 16 1.571 8.094 5.800 1.00 0.00 C ATOM 199 O VAL A 16 1.336 8.603 6.896 1.00 0.00 O ATOM 200 CB VAL A 16 -0.009 6.183 5.518 1.00 0.00 C ATOM 201 CG1 VAL A 16 -0.645 6.743 4.255 1.00 0.00 C ATOM 202 CG2 VAL A 16 -0.154 4.670 5.572 1.00 0.00 C ATOM 0 H VAL A 16 1.744 5.987 7.592 1.00 0.00 H new ATOM 0 HA VAL A 16 1.969 6.312 4.668 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.530 6.606 6.377 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.694 6.449 4.214 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.574 7.831 4.263 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.124 6.352 3.381 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.209 4.403 5.513 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.381 4.223 4.734 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.262 4.298 6.508 1.00 0.00 H new ATOM 212 N THR A 17 1.918 8.806 4.732 1.00 0.00 N ATOM 213 CA THR A 17 2.045 10.257 4.789 1.00 0.00 C ATOM 214 C THR A 17 0.885 10.939 4.073 1.00 0.00 C ATOM 215 O THR A 17 0.294 11.885 4.594 1.00 0.00 O ATOM 216 CB THR A 17 3.370 10.729 4.161 1.00 0.00 C ATOM 217 OG1 THR A 17 3.497 12.149 4.295 1.00 0.00 O ATOM 218 CG2 THR A 17 3.440 10.345 2.691 1.00 0.00 C ATOM 0 H THR A 17 2.116 8.401 3.817 1.00 0.00 H new ATOM 0 HA THR A 17 2.031 10.535 5.843 1.00 0.00 H new ATOM 0 HB THR A 17 4.190 10.240 4.687 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.343 12.441 3.895 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.385 10.689 2.270 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.373 9.261 2.594 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.613 10.809 2.154 1.00 0.00 H new ATOM 226 N GLU A 18 0.565 10.453 2.878 1.00 0.00 N ATOM 227 CA GLU A 18 -0.526 11.018 2.092 1.00 0.00 C ATOM 228 C GLU A 18 -1.587 9.962 1.796 1.00 0.00 C ATOM 229 O GLU A 18 -1.273 8.788 1.595 1.00 0.00 O ATOM 230 CB GLU A 18 0.009 11.601 0.782 1.00 0.00 C ATOM 231 CG GLU A 18 0.746 12.918 0.958 1.00 0.00 C ATOM 232 CD GLU A 18 1.764 13.168 -0.138 1.00 0.00 C ATOM 233 OE1 GLU A 18 1.361 13.629 -1.226 1.00 0.00 O ATOM 234 OE2 GLU A 18 2.962 12.902 0.093 1.00 0.00 O ATOM 0 H GLU A 18 1.045 9.670 2.433 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.985 11.816 2.676 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.681 10.878 0.320 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.823 11.749 0.093 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.024 13.735 0.972 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.250 12.922 1.925 1.00 0.00 H new ATOM 241 N THR A 19 -2.846 10.388 1.771 1.00 0.00 N ATOM 242 CA THR A 19 -3.955 9.480 1.502 1.00 0.00 C ATOM 243 C THR A 19 -5.001 10.140 0.611 1.00 0.00 C ATOM 244 O THR A 19 -5.684 11.077 1.026 1.00 0.00 O ATOM 245 CB THR A 19 -4.628 9.013 2.806 1.00 0.00 C ATOM 246 OG1 THR A 19 -4.508 10.028 3.810 1.00 0.00 O ATOM 247 CG2 THR A 19 -4.000 7.721 3.307 1.00 0.00 C ATOM 0 H THR A 19 -3.123 11.356 1.934 1.00 0.00 H new ATOM 0 HA THR A 19 -3.538 8.614 0.988 1.00 0.00 H new ATOM 0 HB THR A 19 -5.682 8.829 2.599 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.940 9.724 4.636 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.492 7.411 4.229 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.118 6.943 2.553 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.939 7.882 3.498 1.00 0.00 H new ATOM 255 N THR A 20 -5.123 9.645 -0.617 1.00 0.00 N ATOM 256 CA THR A 20 -6.087 10.186 -1.567 1.00 0.00 C ATOM 257 C THR A 20 -7.362 9.352 -1.592 1.00 0.00 C ATOM 258 O THR A 20 -7.359 8.184 -1.206 1.00 0.00 O ATOM 259 CB THR A 20 -5.499 10.248 -2.989 1.00 0.00 C ATOM 260 OG1 THR A 20 -4.075 10.391 -2.925 1.00 0.00 O ATOM 261 CG2 THR A 20 -6.095 11.409 -3.771 1.00 0.00 C ATOM 0 H THR A 20 -4.566 8.870 -0.977 1.00 0.00 H new ATOM 0 HA THR A 20 -6.325 11.197 -1.236 1.00 0.00 H new ATOM 0 HB THR A 20 -5.748 9.319 -3.502 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.743 10.742 -3.778 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.665 11.432 -4.772 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.175 11.283 -3.843 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.873 12.345 -3.259 1.00 0.00 H new ATOM 269 N ALA A 21 -8.452 9.960 -2.049 1.00 0.00 N ATOM 270 CA ALA A 21 -9.735 9.272 -2.127 1.00 0.00 C ATOM 271 C ALA A 21 -9.616 7.979 -2.927 1.00 0.00 C ATOM 272 O ALA A 21 -10.241 6.971 -2.594 1.00 0.00 O ATOM 273 CB ALA A 21 -10.785 10.182 -2.746 1.00 0.00 C ATOM 0 H ALA A 21 -8.472 10.928 -2.371 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.044 9.015 -1.114 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.738 9.655 -2.798 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.898 11.077 -2.134 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.473 10.467 -3.751 1.00 0.00 H new ATOM 279 N THR A 22 -8.811 8.013 -3.984 1.00 0.00 N ATOM 280 CA THR A 22 -8.612 6.845 -4.832 1.00 0.00 C ATOM 281 C THR A 22 -7.134 6.485 -4.935 1.00 0.00 C ATOM 282 O THR A 22 -6.726 5.746 -5.830 1.00 0.00 O ATOM 283 CB THR A 22 -9.171 7.077 -6.248 1.00 0.00 C ATOM 284 OG1 THR A 22 -8.537 8.213 -6.846 1.00 0.00 O ATOM 285 CG2 THR A 22 -10.676 7.294 -6.206 1.00 0.00 C ATOM 0 H THR A 22 -8.286 8.838 -4.273 1.00 0.00 H new ATOM 0 HA THR A 22 -9.152 6.021 -4.366 1.00 0.00 H new ATOM 0 HB THR A 22 -8.964 6.190 -6.846 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.897 8.352 -7.747 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.049 7.456 -7.217 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.158 6.415 -5.778 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.901 8.167 -5.593 1.00 0.00 H new ATOM 293 N SER A 23 -6.336 7.012 -4.011 1.00 0.00 N ATOM 294 CA SER A 23 -4.902 6.749 -4.000 1.00 0.00 C ATOM 295 C SER A 23 -4.346 6.828 -2.581 1.00 0.00 C ATOM 296 O SER A 23 -5.051 7.207 -1.646 1.00 0.00 O ATOM 297 CB SER A 23 -4.171 7.745 -4.902 1.00 0.00 C ATOM 298 OG SER A 23 -4.980 8.123 -6.003 1.00 0.00 O ATOM 0 H SER A 23 -6.659 7.623 -3.261 1.00 0.00 H new ATOM 0 HA SER A 23 -4.741 5.740 -4.380 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.898 8.629 -4.326 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.244 7.301 -5.263 1.00 0.00 H new ATOM 0 HG SER A 23 -4.492 8.761 -6.564 1.00 0.00 H new ATOM 304 N VAL A 24 -3.075 6.468 -2.429 1.00 0.00 N ATOM 305 CA VAL A 24 -2.423 6.499 -1.126 1.00 0.00 C ATOM 306 C VAL A 24 -0.905 6.504 -1.271 1.00 0.00 C ATOM 307 O VAL A 24 -0.362 5.994 -2.252 1.00 0.00 O ATOM 308 CB VAL A 24 -2.841 5.296 -0.260 1.00 0.00 C ATOM 309 CG1 VAL A 24 -2.800 4.012 -1.075 1.00 0.00 C ATOM 310 CG2 VAL A 24 -1.948 5.187 0.967 1.00 0.00 C ATOM 0 H VAL A 24 -2.477 6.152 -3.192 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.741 7.419 -0.635 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.866 5.452 0.077 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -3.098 3.173 -0.447 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.485 4.095 -1.919 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.788 3.847 -1.444 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.258 4.332 1.568 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.913 5.054 0.653 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.033 6.097 1.561 1.00 0.00 H new ATOM 320 N THR A 25 -0.224 7.083 -0.287 1.00 0.00 N ATOM 321 CA THR A 25 1.232 7.155 -0.305 1.00 0.00 C ATOM 322 C THR A 25 1.835 6.374 0.857 1.00 0.00 C ATOM 323 O THR A 25 1.374 6.478 1.995 1.00 0.00 O ATOM 324 CB THR A 25 1.723 8.613 -0.239 1.00 0.00 C ATOM 325 OG1 THR A 25 1.112 9.383 -1.280 1.00 0.00 O ATOM 326 CG2 THR A 25 3.237 8.681 -0.373 1.00 0.00 C ATOM 0 H THR A 25 -0.657 7.509 0.532 1.00 0.00 H new ATOM 0 HA THR A 25 1.559 6.712 -1.246 1.00 0.00 H new ATOM 0 HB THR A 25 1.441 9.025 0.730 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.159 9.498 -1.085 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.560 9.721 -0.323 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.700 8.118 0.438 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.537 8.253 -1.329 1.00 0.00 H new ATOM 334 N LEU A 26 2.869 5.593 0.566 1.00 0.00 N ATOM 335 CA LEU A 26 3.537 4.795 1.588 1.00 0.00 C ATOM 336 C LEU A 26 5.011 5.173 1.696 1.00 0.00 C ATOM 337 O LEU A 26 5.655 5.502 0.700 1.00 0.00 O ATOM 338 CB LEU A 26 3.403 3.305 1.267 1.00 0.00 C ATOM 339 CG LEU A 26 3.629 2.345 2.436 1.00 0.00 C ATOM 340 CD1 LEU A 26 2.545 2.520 3.488 1.00 0.00 C ATOM 341 CD2 LEU A 26 3.668 0.905 1.943 1.00 0.00 C ATOM 0 H LEU A 26 3.263 5.495 -0.370 1.00 0.00 H new ATOM 0 HA LEU A 26 3.057 4.999 2.545 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.405 3.128 0.865 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.113 3.058 0.477 1.00 0.00 H new ATOM 0 HG LEU A 26 4.591 2.579 2.892 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.723 1.829 4.312 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.563 3.543 3.863 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.571 2.313 3.045 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.830 0.235 2.788 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.722 0.660 1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.481 0.788 1.226 1.00 0.00 H new ATOM 353 N THR A 27 5.542 5.121 2.914 1.00 0.00 N ATOM 354 CA THR A 27 6.940 5.456 3.154 1.00 0.00 C ATOM 355 C THR A 27 7.586 4.465 4.115 1.00 0.00 C ATOM 356 O THR A 27 6.994 4.092 5.128 1.00 0.00 O ATOM 357 CB THR A 27 7.086 6.879 3.727 1.00 0.00 C ATOM 358 OG1 THR A 27 6.378 6.983 4.967 1.00 0.00 O ATOM 359 CG2 THR A 27 6.556 7.914 2.746 1.00 0.00 C ATOM 0 H THR A 27 5.024 4.850 3.750 1.00 0.00 H new ATOM 0 HA THR A 27 7.447 5.406 2.190 1.00 0.00 H new ATOM 0 HB THR A 27 8.145 7.072 3.897 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.477 7.890 5.325 1.00 0.00 H new ATOM 0 HG21 THR A 27 6.669 8.911 3.172 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.117 7.852 1.813 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.501 7.722 2.549 1.00 0.00 H new ATOM 367 N TRP A 28 8.803 4.042 3.792 1.00 0.00 N ATOM 368 CA TRP A 28 9.530 3.094 4.628 1.00 0.00 C ATOM 369 C TRP A 28 11.035 3.253 4.448 1.00 0.00 C ATOM 370 O TRP A 28 11.492 4.089 3.669 1.00 0.00 O ATOM 371 CB TRP A 28 9.112 1.661 4.292 1.00 0.00 C ATOM 372 CG TRP A 28 9.497 1.240 2.906 1.00 0.00 C ATOM 373 CD1 TRP A 28 10.633 0.578 2.536 1.00 0.00 C ATOM 374 CD2 TRP A 28 8.746 1.454 1.706 1.00 0.00 C ATOM 375 NE1 TRP A 28 10.633 0.368 1.179 1.00 0.00 N ATOM 376 CE2 TRP A 28 9.487 0.895 0.646 1.00 0.00 C ATOM 377 CE3 TRP A 28 7.520 2.061 1.423 1.00 0.00 C ATOM 378 CZ2 TRP A 28 9.040 0.927 -0.672 1.00 0.00 C ATOM 379 CZ3 TRP A 28 7.078 2.093 0.114 1.00 0.00 C ATOM 380 CH2 TRP A 28 7.836 1.528 -0.920 1.00 0.00 C ATOM 0 H TRP A 28 9.307 4.341 2.957 1.00 0.00 H new ATOM 0 HA TRP A 28 9.283 3.302 5.669 1.00 0.00 H new ATOM 0 HB2 TRP A 28 9.567 0.979 5.011 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.032 1.569 4.405 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.416 0.266 3.211 1.00 0.00 H new ATOM 0 HE1 TRP A 28 11.368 -0.104 0.653 1.00 0.00 H new ATOM 0 HE3 TRP A 28 6.928 2.498 2.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 9.623 0.493 -1.471 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.132 2.561 -0.116 1.00 0.00 H new ATOM 0 HH2 TRP A 28 7.463 1.568 -1.933 1.00 0.00 H new ATOM 391 N ASP A 29 11.802 2.445 5.173 1.00 0.00 N ATOM 392 CA ASP A 29 13.257 2.496 5.093 1.00 0.00 C ATOM 393 C ASP A 29 13.813 1.208 4.493 1.00 0.00 C ATOM 394 O ASP A 29 13.190 0.150 4.583 1.00 0.00 O ATOM 395 CB ASP A 29 13.858 2.728 6.480 1.00 0.00 C ATOM 396 CG ASP A 29 15.364 2.900 6.436 1.00 0.00 C ATOM 397 OD1 ASP A 29 15.862 3.526 5.477 1.00 0.00 O ATOM 398 OD2 ASP A 29 16.043 2.410 7.362 1.00 0.00 O ATOM 0 H ASP A 29 11.440 1.747 5.823 1.00 0.00 H new ATOM 0 HA ASP A 29 13.532 3.327 4.443 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.407 3.615 6.925 1.00 0.00 H new ATOM 0 HB3 ASP A 29 13.610 1.886 7.126 1.00 0.00 H new ATOM 403 N SER A 30 14.988 1.306 3.879 1.00 0.00 N ATOM 404 CA SER A 30 15.626 0.150 3.260 1.00 0.00 C ATOM 405 C SER A 30 15.635 -1.041 4.214 1.00 0.00 C ATOM 406 O SER A 30 15.240 -2.147 3.847 1.00 0.00 O ATOM 407 CB SER A 30 17.057 0.494 2.841 1.00 0.00 C ATOM 408 OG SER A 30 17.081 1.104 1.562 1.00 0.00 O ATOM 0 H SER A 30 15.517 2.174 3.797 1.00 0.00 H new ATOM 0 HA SER A 30 15.051 -0.121 2.374 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.503 1.164 3.576 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.663 -0.412 2.827 1.00 0.00 H new ATOM 0 HG SER A 30 18.006 1.316 1.318 1.00 0.00 H new ATOM 414 N GLY A 31 16.091 -0.805 5.440 1.00 0.00 N ATOM 415 CA GLY A 31 16.144 -1.867 6.428 1.00 0.00 C ATOM 416 C GLY A 31 17.346 -2.771 6.243 1.00 0.00 C ATOM 417 O GLY A 31 18.021 -3.124 7.210 1.00 0.00 O ATOM 0 H GLY A 31 16.425 0.102 5.767 1.00 0.00 H new ATOM 0 HA2 GLY A 31 16.172 -1.430 7.426 1.00 0.00 H new ATOM 0 HA3 GLY A 31 15.233 -2.462 6.367 1.00 0.00 H new ATOM 421 N ASN A 32 17.615 -3.149 4.998 1.00 0.00 N ATOM 422 CA ASN A 32 18.743 -4.020 4.690 1.00 0.00 C ATOM 423 C ASN A 32 20.038 -3.220 4.595 1.00 0.00 C ATOM 424 O ASN A 32 20.022 -1.989 4.616 1.00 0.00 O ATOM 425 CB ASN A 32 18.494 -4.767 3.377 1.00 0.00 C ATOM 426 CG ASN A 32 17.546 -5.938 3.549 1.00 0.00 C ATOM 427 OD1 ASN A 32 17.968 -7.052 3.858 1.00 0.00 O ATOM 428 ND2 ASN A 32 16.257 -5.689 3.349 1.00 0.00 N ATOM 0 H ASN A 32 17.067 -2.866 4.186 1.00 0.00 H new ATOM 0 HA ASN A 32 18.843 -4.744 5.499 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.083 -4.076 2.641 1.00 0.00 H new ATOM 0 HB3 ASN A 32 19.444 -5.127 2.981 1.00 0.00 H new ATOM 0 HD21 ASN A 32 15.571 -6.437 3.450 1.00 0.00 H new ATOM 0 HD22 ASN A 32 15.953 -4.749 3.094 1.00 0.00 H new ATOM 475 N VAL A 36 18.811 -4.131 -2.592 1.00 0.00 N ATOM 476 CA VAL A 36 18.139 -5.254 -3.236 1.00 0.00 C ATOM 477 C VAL A 36 17.667 -4.882 -4.637 1.00 0.00 C ATOM 478 O VAL A 36 17.458 -3.707 -4.943 1.00 0.00 O ATOM 479 CB VAL A 36 16.930 -5.733 -2.409 1.00 0.00 C ATOM 480 CG1 VAL A 36 17.391 -6.341 -1.093 1.00 0.00 C ATOM 481 CG2 VAL A 36 15.963 -4.584 -2.166 1.00 0.00 C ATOM 0 HA VAL A 36 18.867 -6.062 -3.304 1.00 0.00 H new ATOM 0 HB VAL A 36 16.407 -6.504 -2.974 1.00 0.00 H new ATOM 0 HG11 VAL A 36 16.524 -6.674 -0.522 1.00 0.00 H new ATOM 0 HG12 VAL A 36 18.042 -7.192 -1.294 1.00 0.00 H new ATOM 0 HG13 VAL A 36 17.938 -5.593 -0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 36 15.115 -4.940 -1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 36 16.472 -3.789 -1.621 1.00 0.00 H new ATOM 0 HG23 VAL A 36 15.608 -4.199 -3.122 1.00 0.00 H new ATOM 491 N THR A 37 17.500 -5.891 -5.486 1.00 0.00 N ATOM 492 CA THR A 37 17.053 -5.670 -6.856 1.00 0.00 C ATOM 493 C THR A 37 15.887 -4.689 -6.903 1.00 0.00 C ATOM 494 O THR A 37 15.961 -3.654 -7.565 1.00 0.00 O ATOM 495 CB THR A 37 16.626 -6.990 -7.527 1.00 0.00 C ATOM 496 OG1 THR A 37 17.695 -7.941 -7.461 1.00 0.00 O ATOM 497 CG2 THR A 37 16.236 -6.757 -8.979 1.00 0.00 C ATOM 0 H THR A 37 17.667 -6.869 -5.249 1.00 0.00 H new ATOM 0 HA THR A 37 17.899 -5.251 -7.401 1.00 0.00 H new ATOM 0 HB THR A 37 15.760 -7.380 -6.993 1.00 0.00 H new ATOM 0 HG1 THR A 37 17.415 -8.778 -7.888 1.00 0.00 H new ATOM 0 HG21 THR A 37 15.938 -7.703 -9.432 1.00 0.00 H new ATOM 0 HG22 THR A 37 15.403 -6.055 -9.024 1.00 0.00 H new ATOM 0 HG23 THR A 37 17.087 -6.346 -9.523 1.00 0.00 H new ATOM 505 N TYR A 38 14.813 -5.021 -6.197 1.00 0.00 N ATOM 506 CA TYR A 38 13.630 -4.169 -6.159 1.00 0.00 C ATOM 507 C TYR A 38 12.789 -4.458 -4.920 1.00 0.00 C ATOM 508 O TYR A 38 13.132 -5.321 -4.110 1.00 0.00 O ATOM 509 CB TYR A 38 12.788 -4.374 -7.420 1.00 0.00 C ATOM 510 CG TYR A 38 11.989 -5.658 -7.412 1.00 0.00 C ATOM 511 CD1 TYR A 38 12.581 -6.870 -7.744 1.00 0.00 C ATOM 512 CD2 TYR A 38 10.642 -5.659 -7.071 1.00 0.00 C ATOM 513 CE1 TYR A 38 11.855 -8.045 -7.738 1.00 0.00 C ATOM 514 CE2 TYR A 38 9.908 -6.830 -7.062 1.00 0.00 C ATOM 515 CZ TYR A 38 10.519 -8.020 -7.396 1.00 0.00 C ATOM 516 OH TYR A 38 9.793 -9.189 -7.389 1.00 0.00 O ATOM 0 H TYR A 38 14.736 -5.874 -5.643 1.00 0.00 H new ATOM 0 HA TYR A 38 13.962 -3.132 -6.116 1.00 0.00 H new ATOM 0 HB2 TYR A 38 12.105 -3.532 -7.532 1.00 0.00 H new ATOM 0 HB3 TYR A 38 13.445 -4.370 -8.290 1.00 0.00 H new ATOM 0 HD1 TYR A 38 13.627 -6.894 -8.011 1.00 0.00 H new ATOM 0 HD2 TYR A 38 10.160 -4.729 -6.808 1.00 0.00 H new ATOM 0 HE1 TYR A 38 12.331 -8.978 -8.000 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.862 -6.813 -6.795 1.00 0.00 H new ATOM 0 HH TYR A 38 8.869 -8.998 -7.125 1.00 0.00 H new ATOM 526 N TYR A 39 11.686 -3.731 -4.778 1.00 0.00 N ATOM 527 CA TYR A 39 10.796 -3.907 -3.637 1.00 0.00 C ATOM 528 C TYR A 39 9.356 -4.117 -4.096 1.00 0.00 C ATOM 529 O TYR A 39 8.864 -3.410 -4.975 1.00 0.00 O ATOM 530 CB TYR A 39 10.875 -2.693 -2.710 1.00 0.00 C ATOM 531 CG TYR A 39 12.153 -2.630 -1.903 1.00 0.00 C ATOM 532 CD1 TYR A 39 13.355 -2.267 -2.497 1.00 0.00 C ATOM 533 CD2 TYR A 39 12.158 -2.934 -0.548 1.00 0.00 C ATOM 534 CE1 TYR A 39 14.525 -2.208 -1.765 1.00 0.00 C ATOM 535 CE2 TYR A 39 13.322 -2.877 0.193 1.00 0.00 C ATOM 536 CZ TYR A 39 14.503 -2.514 -0.420 1.00 0.00 C ATOM 537 OH TYR A 39 15.666 -2.457 0.314 1.00 0.00 O ATOM 0 H TYR A 39 11.387 -3.014 -5.439 1.00 0.00 H new ATOM 0 HA TYR A 39 11.118 -4.794 -3.092 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.786 -1.785 -3.306 1.00 0.00 H new ATOM 0 HB3 TYR A 39 10.025 -2.711 -2.028 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.375 -2.027 -3.550 1.00 0.00 H new ATOM 0 HD2 TYR A 39 11.235 -3.220 -0.065 1.00 0.00 H new ATOM 0 HE1 TYR A 39 15.451 -1.924 -2.243 1.00 0.00 H new ATOM 0 HE2 TYR A 39 13.308 -3.115 1.246 1.00 0.00 H new ATOM 0 HH TYR A 39 15.478 -2.701 1.244 1.00 0.00 H new ATOM 547 N GLY A 40 8.686 -5.095 -3.494 1.00 0.00 N ATOM 548 CA GLY A 40 7.310 -5.381 -3.853 1.00 0.00 C ATOM 549 C GLY A 40 6.317 -4.696 -2.935 1.00 0.00 C ATOM 550 O GLY A 40 6.703 -4.076 -1.944 1.00 0.00 O ATOM 0 H GLY A 40 9.072 -5.694 -2.764 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.132 -5.061 -4.880 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.146 -6.458 -3.822 1.00 0.00 H new ATOM 554 N ILE A 41 5.034 -4.806 -3.265 1.00 0.00 N ATOM 555 CA ILE A 41 3.984 -4.192 -2.463 1.00 0.00 C ATOM 556 C ILE A 41 2.704 -5.020 -2.506 1.00 0.00 C ATOM 557 O ILE A 41 2.271 -5.456 -3.573 1.00 0.00 O ATOM 558 CB ILE A 41 3.673 -2.762 -2.943 1.00 0.00 C ATOM 559 CG1 ILE A 41 4.915 -1.877 -2.818 1.00 0.00 C ATOM 560 CG2 ILE A 41 2.517 -2.176 -2.147 1.00 0.00 C ATOM 561 CD1 ILE A 41 4.725 -0.486 -3.380 1.00 0.00 C ATOM 0 H ILE A 41 4.697 -5.315 -4.082 1.00 0.00 H new ATOM 0 HA ILE A 41 4.353 -4.151 -1.438 1.00 0.00 H new ATOM 0 HB ILE A 41 3.383 -2.802 -3.993 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.192 -1.800 -1.767 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.747 -2.358 -3.333 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.309 -1.165 -2.498 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.631 -2.796 -2.282 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.781 -2.146 -1.090 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.645 0.085 -3.257 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.478 -0.552 -4.440 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.915 0.013 -2.849 1.00 0.00 H new ATOM 573 N GLN A 42 2.103 -5.231 -1.340 1.00 0.00 N ATOM 574 CA GLN A 42 0.872 -6.006 -1.245 1.00 0.00 C ATOM 575 C GLN A 42 -0.227 -5.200 -0.560 1.00 0.00 C ATOM 576 O GLN A 42 -0.014 -4.620 0.504 1.00 0.00 O ATOM 577 CB GLN A 42 1.120 -7.306 -0.478 1.00 0.00 C ATOM 578 CG GLN A 42 1.708 -8.415 -1.335 1.00 0.00 C ATOM 579 CD GLN A 42 2.137 -9.618 -0.518 1.00 0.00 C ATOM 580 OE1 GLN A 42 1.353 -10.539 -0.288 1.00 0.00 O ATOM 581 NE2 GLN A 42 3.389 -9.617 -0.076 1.00 0.00 N ATOM 0 H GLN A 42 2.448 -4.876 -0.448 1.00 0.00 H new ATOM 0 HA GLN A 42 0.545 -6.246 -2.257 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.795 -7.104 0.354 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.179 -7.650 -0.049 1.00 0.00 H new ATOM 0 HG2 GLN A 42 0.971 -8.727 -2.075 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.567 -8.028 -1.884 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.005 -8.833 -0.290 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.735 -10.401 0.478 1.00 0.00 H new ATOM 590 N TYR A 43 -1.403 -5.168 -1.178 1.00 0.00 N ATOM 591 CA TYR A 43 -2.535 -4.431 -0.630 1.00 0.00 C ATOM 592 C TYR A 43 -3.851 -4.947 -1.204 1.00 0.00 C ATOM 593 O TYR A 43 -3.902 -5.421 -2.340 1.00 0.00 O ATOM 594 CB TYR A 43 -2.388 -2.937 -0.924 1.00 0.00 C ATOM 595 CG TYR A 43 -2.507 -2.594 -2.392 1.00 0.00 C ATOM 596 CD1 TYR A 43 -1.499 -2.930 -3.288 1.00 0.00 C ATOM 597 CD2 TYR A 43 -3.626 -1.934 -2.883 1.00 0.00 C ATOM 598 CE1 TYR A 43 -1.603 -2.618 -4.630 1.00 0.00 C ATOM 599 CE2 TYR A 43 -3.739 -1.620 -4.224 1.00 0.00 C ATOM 600 CZ TYR A 43 -2.725 -1.964 -5.093 1.00 0.00 C ATOM 601 OH TYR A 43 -2.833 -1.651 -6.429 1.00 0.00 O ATOM 0 H TYR A 43 -1.597 -5.644 -2.059 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.547 -4.583 0.449 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -3.149 -2.389 -0.369 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.420 -2.597 -0.557 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.619 -3.444 -2.929 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -4.421 -1.662 -2.205 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.810 -2.885 -5.313 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -4.617 -1.108 -4.590 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.684 -1.193 -6.590 1.00 0.00 H new ATOM 611 N ARG A 44 -4.913 -4.850 -0.412 1.00 0.00 N ATOM 612 CA ARG A 44 -6.230 -5.307 -0.840 1.00 0.00 C ATOM 613 C ARG A 44 -7.289 -4.968 0.205 1.00 0.00 C ATOM 614 O ARG A 44 -6.975 -4.446 1.274 1.00 0.00 O ATOM 615 CB ARG A 44 -6.212 -6.815 -1.093 1.00 0.00 C ATOM 616 CG ARG A 44 -6.089 -7.645 0.175 1.00 0.00 C ATOM 617 CD ARG A 44 -7.451 -8.100 0.677 1.00 0.00 C ATOM 618 NE ARG A 44 -7.352 -8.839 1.933 1.00 0.00 N ATOM 619 CZ ARG A 44 -7.003 -8.283 3.088 1.00 0.00 C ATOM 620 NH1 ARG A 44 -6.722 -6.989 3.146 1.00 0.00 N ATOM 621 NH2 ARG A 44 -6.936 -9.022 4.188 1.00 0.00 N ATOM 0 H ARG A 44 -4.888 -4.459 0.530 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.482 -4.793 -1.767 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.126 -7.098 -1.615 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.380 -7.054 -1.755 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.462 -8.515 -0.018 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.592 -7.059 0.948 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -8.094 -7.231 0.817 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.924 -8.729 -0.077 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.562 -9.837 1.923 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.773 -6.418 2.303 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.454 -6.565 4.034 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.153 -10.018 4.147 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.668 -8.594 5.074 1.00 0.00 H new ATOM 635 N ALA A 45 -8.544 -5.269 -0.112 1.00 0.00 N ATOM 636 CA ALA A 45 -9.648 -4.998 0.799 1.00 0.00 C ATOM 637 C ALA A 45 -9.292 -5.396 2.227 1.00 0.00 C ATOM 638 O ALA A 45 -9.251 -6.580 2.560 1.00 0.00 O ATOM 639 CB ALA A 45 -10.901 -5.730 0.342 1.00 0.00 C ATOM 0 H ALA A 45 -8.821 -5.701 -0.994 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.842 -3.925 0.786 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.718 -5.519 1.032 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.174 -5.394 -0.658 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.710 -6.803 0.324 1.00 0.00 H new ATOM 732 N GLN A 53 -3.120 -8.054 -3.618 1.00 0.00 N ATOM 733 CA GLN A 53 -2.532 -7.555 -4.856 1.00 0.00 C ATOM 734 C GLN A 53 -1.011 -7.673 -4.823 1.00 0.00 C ATOM 735 O GLN A 53 -0.415 -7.819 -3.756 1.00 0.00 O ATOM 736 CB GLN A 53 -2.937 -6.098 -5.087 1.00 0.00 C ATOM 737 CG GLN A 53 -4.437 -5.902 -5.244 1.00 0.00 C ATOM 738 CD GLN A 53 -4.933 -6.279 -6.626 1.00 0.00 C ATOM 739 OE1 GLN A 53 -5.750 -7.188 -6.779 1.00 0.00 O ATOM 740 NE2 GLN A 53 -4.441 -5.581 -7.643 1.00 0.00 N ATOM 0 HA GLN A 53 -2.908 -8.164 -5.678 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.586 -5.495 -4.250 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.435 -5.727 -5.980 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.958 -6.503 -4.499 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.686 -4.860 -5.044 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.766 -4.836 -7.471 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.738 -5.790 -8.596 1.00 0.00 H new ATOM 749 N GLU A 54 -0.392 -7.608 -5.997 1.00 0.00 N ATOM 750 CA GLU A 54 1.059 -7.709 -6.101 1.00 0.00 C ATOM 751 C GLU A 54 1.605 -6.690 -7.097 1.00 0.00 C ATOM 752 O GLU A 54 1.121 -6.585 -8.224 1.00 0.00 O ATOM 753 CB GLU A 54 1.465 -9.122 -6.526 1.00 0.00 C ATOM 754 CG GLU A 54 2.964 -9.365 -6.475 1.00 0.00 C ATOM 755 CD GLU A 54 3.333 -10.803 -6.786 1.00 0.00 C ATOM 756 OE1 GLU A 54 2.815 -11.710 -6.102 1.00 0.00 O ATOM 757 OE2 GLU A 54 4.139 -11.020 -7.715 1.00 0.00 O ATOM 0 H GLU A 54 -0.872 -7.486 -6.889 1.00 0.00 H new ATOM 0 HA GLU A 54 1.484 -7.496 -5.120 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.966 -9.844 -5.880 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.110 -9.303 -7.541 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.460 -8.705 -7.187 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.337 -9.104 -5.485 1.00 0.00 H new ATOM 764 N VAL A 55 2.617 -5.940 -6.672 1.00 0.00 N ATOM 765 CA VAL A 55 3.230 -4.929 -7.526 1.00 0.00 C ATOM 766 C VAL A 55 4.752 -5.015 -7.473 1.00 0.00 C ATOM 767 O VAL A 55 5.352 -4.918 -6.402 1.00 0.00 O ATOM 768 CB VAL A 55 2.793 -3.510 -7.118 1.00 0.00 C ATOM 769 CG1 VAL A 55 3.463 -2.469 -8.002 1.00 0.00 C ATOM 770 CG2 VAL A 55 1.278 -3.380 -7.183 1.00 0.00 C ATOM 0 H VAL A 55 3.030 -6.013 -5.742 1.00 0.00 H new ATOM 0 HA VAL A 55 2.892 -5.127 -8.543 1.00 0.00 H new ATOM 0 HB VAL A 55 3.107 -3.334 -6.089 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.142 -1.473 -7.698 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.545 -2.548 -7.901 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.183 -2.640 -9.041 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.987 -2.371 -6.892 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.939 -3.576 -8.200 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.822 -4.100 -6.504 1.00 0.00 H new ATOM 780 N ASP A 56 5.369 -5.196 -8.635 1.00 0.00 N ATOM 781 CA ASP A 56 6.822 -5.293 -8.722 1.00 0.00 C ATOM 782 C ASP A 56 7.392 -4.157 -9.565 1.00 0.00 C ATOM 783 O ASP A 56 6.781 -3.729 -10.543 1.00 0.00 O ATOM 784 CB ASP A 56 7.229 -6.641 -9.318 1.00 0.00 C ATOM 785 CG ASP A 56 6.601 -6.888 -10.675 1.00 0.00 C ATOM 786 OD1 ASP A 56 5.439 -7.343 -10.718 1.00 0.00 O ATOM 787 OD2 ASP A 56 7.272 -6.626 -11.695 1.00 0.00 O ATOM 0 H ASP A 56 4.886 -5.279 -9.530 1.00 0.00 H new ATOM 0 HA ASP A 56 7.229 -5.213 -7.714 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.314 -6.681 -9.411 1.00 0.00 H new ATOM 0 HB3 ASP A 56 6.938 -7.439 -8.635 1.00 0.00 H new ATOM 792 N GLY A 57 8.569 -3.672 -9.178 1.00 0.00 N ATOM 793 CA GLY A 57 9.202 -2.590 -9.909 1.00 0.00 C ATOM 794 C GLY A 57 9.286 -1.313 -9.095 1.00 0.00 C ATOM 795 O GLY A 57 9.069 -0.220 -9.619 1.00 0.00 O ATOM 0 H GLY A 57 9.095 -4.009 -8.372 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.205 -2.895 -10.206 1.00 0.00 H new ATOM 0 HA3 GLY A 57 8.643 -2.398 -10.825 1.00 0.00 H new ATOM 799 N VAL A 58 9.599 -1.451 -7.811 1.00 0.00 N ATOM 800 CA VAL A 58 9.711 -0.300 -6.924 1.00 0.00 C ATOM 801 C VAL A 58 11.131 -0.152 -6.390 1.00 0.00 C ATOM 802 O VAL A 58 11.463 -0.673 -5.326 1.00 0.00 O ATOM 803 CB VAL A 58 8.737 -0.411 -5.735 1.00 0.00 C ATOM 804 CG1 VAL A 58 8.696 0.894 -4.955 1.00 0.00 C ATOM 805 CG2 VAL A 58 7.347 -0.796 -6.220 1.00 0.00 C ATOM 0 H VAL A 58 9.780 -2.349 -7.362 1.00 0.00 H new ATOM 0 HA VAL A 58 9.455 0.580 -7.514 1.00 0.00 H new ATOM 0 HB VAL A 58 9.094 -1.195 -5.067 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.003 0.797 -4.119 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.692 1.123 -4.576 1.00 0.00 H new ATOM 0 HG13 VAL A 58 8.364 1.699 -5.610 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.672 -0.870 -5.368 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.979 -0.036 -6.910 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.393 -1.758 -6.731 1.00 0.00 H new ATOM 815 N ALA A 59 11.966 0.562 -7.137 1.00 0.00 N ATOM 816 CA ALA A 59 13.351 0.781 -6.739 1.00 0.00 C ATOM 817 C ALA A 59 13.478 2.010 -5.845 1.00 0.00 C ATOM 818 O ALA A 59 14.509 2.684 -5.841 1.00 0.00 O ATOM 819 CB ALA A 59 14.238 0.925 -7.967 1.00 0.00 C ATOM 0 H ALA A 59 11.707 0.999 -8.022 1.00 0.00 H new ATOM 0 HA ALA A 59 13.680 -0.087 -6.168 1.00 0.00 H new ATOM 0 HB1 ALA A 59 15.269 1.088 -7.654 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.180 0.016 -8.566 1.00 0.00 H new ATOM 0 HB3 ALA A 59 13.901 1.774 -8.562 1.00 0.00 H new ATOM 825 N THR A 60 12.423 2.298 -5.090 1.00 0.00 N ATOM 826 CA THR A 60 12.415 3.447 -4.194 1.00 0.00 C ATOM 827 C THR A 60 11.817 3.084 -2.839 1.00 0.00 C ATOM 828 O THR A 60 11.205 2.028 -2.681 1.00 0.00 O ATOM 829 CB THR A 60 11.621 4.623 -4.794 1.00 0.00 C ATOM 830 OG1 THR A 60 10.366 4.157 -5.302 1.00 0.00 O ATOM 831 CG2 THR A 60 12.408 5.293 -5.910 1.00 0.00 C ATOM 0 H THR A 60 11.562 1.751 -5.081 1.00 0.00 H new ATOM 0 HA THR A 60 13.453 3.750 -4.061 1.00 0.00 H new ATOM 0 HB THR A 60 11.445 5.354 -4.005 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.635 4.586 -4.811 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.828 6.120 -6.319 1.00 0.00 H new ATOM 0 HG22 THR A 60 13.350 5.671 -5.514 1.00 0.00 H new ATOM 0 HG23 THR A 60 12.611 4.568 -6.698 1.00 0.00 H new ATOM 839 N THR A 61 11.998 3.968 -1.862 1.00 0.00 N ATOM 840 CA THR A 61 11.477 3.740 -0.520 1.00 0.00 C ATOM 841 C THR A 61 10.087 4.345 -0.360 1.00 0.00 C ATOM 842 O THR A 61 9.381 4.055 0.606 1.00 0.00 O ATOM 843 CB THR A 61 12.409 4.333 0.553 1.00 0.00 C ATOM 844 OG1 THR A 61 12.628 5.725 0.297 1.00 0.00 O ATOM 845 CG2 THR A 61 13.743 3.601 0.576 1.00 0.00 C ATOM 0 H THR A 61 12.501 4.848 -1.975 1.00 0.00 H new ATOM 0 HA THR A 61 11.419 2.660 -0.383 1.00 0.00 H new ATOM 0 HB THR A 61 11.930 4.213 1.525 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.220 6.095 0.985 1.00 0.00 H new ATOM 0 HG21 THR A 61 14.384 4.038 1.342 1.00 0.00 H new ATOM 0 HG22 THR A 61 13.576 2.547 0.800 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.225 3.693 -0.397 1.00 0.00 H new ATOM 853 N ARG A 62 9.699 5.186 -1.313 1.00 0.00 N ATOM 854 CA ARG A 62 8.393 5.832 -1.277 1.00 0.00 C ATOM 855 C ARG A 62 7.559 5.442 -2.494 1.00 0.00 C ATOM 856 O ARG A 62 7.948 5.698 -3.634 1.00 0.00 O ATOM 857 CB ARG A 62 8.554 7.353 -1.222 1.00 0.00 C ATOM 858 CG ARG A 62 7.241 8.098 -1.046 1.00 0.00 C ATOM 859 CD ARG A 62 7.473 9.562 -0.708 1.00 0.00 C ATOM 860 NE ARG A 62 8.081 10.291 -1.818 1.00 0.00 N ATOM 861 CZ ARG A 62 7.396 10.753 -2.857 1.00 0.00 C ATOM 862 NH1 ARG A 62 6.085 10.563 -2.928 1.00 0.00 N ATOM 863 NH2 ARG A 62 8.020 11.406 -3.829 1.00 0.00 N ATOM 0 H ARG A 62 10.271 5.436 -2.120 1.00 0.00 H new ATOM 0 HA ARG A 62 7.874 5.495 -0.380 1.00 0.00 H new ATOM 0 HB2 ARG A 62 9.221 7.610 -0.399 1.00 0.00 H new ATOM 0 HB3 ARG A 62 9.035 7.693 -2.140 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.653 8.023 -1.961 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.658 7.628 -0.254 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.523 10.028 -0.445 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.117 9.634 0.169 1.00 0.00 H new ATOM 0 HE ARG A 62 9.088 10.454 -1.793 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.601 10.061 -2.183 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.561 10.919 -3.727 1.00 0.00 H new ATOM 0 HH21 ARG A 62 9.028 11.554 -3.779 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.492 11.760 -4.626 1.00 0.00 H new ATOM 877 N TYR A 63 6.413 4.820 -2.244 1.00 0.00 N ATOM 878 CA TYR A 63 5.526 4.391 -3.319 1.00 0.00 C ATOM 879 C TYR A 63 4.068 4.670 -2.966 1.00 0.00 C ATOM 880 O TYR A 63 3.654 4.510 -1.818 1.00 0.00 O ATOM 881 CB TYR A 63 5.717 2.900 -3.602 1.00 0.00 C ATOM 882 CG TYR A 63 4.914 2.400 -4.782 1.00 0.00 C ATOM 883 CD1 TYR A 63 3.593 1.997 -4.627 1.00 0.00 C ATOM 884 CD2 TYR A 63 5.475 2.331 -6.051 1.00 0.00 C ATOM 885 CE1 TYR A 63 2.856 1.539 -5.701 1.00 0.00 C ATOM 886 CE2 TYR A 63 4.745 1.876 -7.131 1.00 0.00 C ATOM 887 CZ TYR A 63 3.436 1.480 -6.951 1.00 0.00 C ATOM 888 OH TYR A 63 2.704 1.025 -8.024 1.00 0.00 O ATOM 0 H TYR A 63 6.076 4.601 -1.306 1.00 0.00 H new ATOM 0 HA TYR A 63 5.780 4.959 -4.214 1.00 0.00 H new ATOM 0 HB2 TYR A 63 6.774 2.706 -3.784 1.00 0.00 H new ATOM 0 HB3 TYR A 63 5.437 2.332 -2.715 1.00 0.00 H new ATOM 0 HD1 TYR A 63 3.135 2.043 -3.650 1.00 0.00 H new ATOM 0 HD2 TYR A 63 6.500 2.639 -6.195 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.831 1.229 -5.563 1.00 0.00 H new ATOM 0 HE2 TYR A 63 5.196 1.830 -8.111 1.00 0.00 H new ATOM 0 HH TYR A 63 3.259 1.047 -8.832 1.00 0.00 H new ATOM 898 N SER A 64 3.294 5.088 -3.963 1.00 0.00 N ATOM 899 CA SER A 64 1.882 5.392 -3.759 1.00 0.00 C ATOM 900 C SER A 64 0.999 4.408 -4.519 1.00 0.00 C ATOM 901 O SER A 64 1.310 4.020 -5.645 1.00 0.00 O ATOM 902 CB SER A 64 1.577 6.822 -4.209 1.00 0.00 C ATOM 903 OG SER A 64 1.700 6.951 -5.615 1.00 0.00 O ATOM 0 H SER A 64 3.621 5.224 -4.920 1.00 0.00 H new ATOM 0 HA SER A 64 1.666 5.299 -2.695 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.567 7.096 -3.902 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.259 7.515 -3.716 1.00 0.00 H new ATOM 0 HG SER A 64 1.498 7.873 -5.878 1.00 0.00 H new ATOM 909 N ILE A 65 -0.104 4.009 -3.895 1.00 0.00 N ATOM 910 CA ILE A 65 -1.034 3.071 -4.512 1.00 0.00 C ATOM 911 C ILE A 65 -2.289 3.785 -5.004 1.00 0.00 C ATOM 912 O ILE A 65 -2.858 4.618 -4.301 1.00 0.00 O ATOM 913 CB ILE A 65 -1.442 1.956 -3.532 1.00 0.00 C ATOM 914 CG1 ILE A 65 -0.208 1.184 -3.061 1.00 0.00 C ATOM 915 CG2 ILE A 65 -2.443 1.016 -4.187 1.00 0.00 C ATOM 916 CD1 ILE A 65 0.439 1.774 -1.827 1.00 0.00 C ATOM 0 H ILE A 65 -0.376 4.321 -2.963 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.516 2.625 -5.361 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.916 2.412 -2.663 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.492 0.152 -2.854 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.524 1.158 -3.868 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.722 0.233 -3.482 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.332 1.576 -4.478 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.993 0.565 -5.071 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.307 1.176 -1.550 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.754 2.797 -2.035 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.278 1.775 -1.006 1.00 0.00 H new ATOM 928 N GLY A 66 -2.716 3.449 -6.218 1.00 0.00 N ATOM 929 CA GLY A 66 -3.902 4.066 -6.783 1.00 0.00 C ATOM 930 C GLY A 66 -4.920 3.044 -7.251 1.00 0.00 C ATOM 931 O GLY A 66 -4.652 1.843 -7.245 1.00 0.00 O ATOM 0 H GLY A 66 -2.262 2.761 -6.819 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.360 4.716 -6.037 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.614 4.698 -7.623 1.00 0.00 H new ATOM 935 N GLY A 67 -6.093 3.522 -7.656 1.00 0.00 N ATOM 936 CA GLY A 67 -7.137 2.628 -8.122 1.00 0.00 C ATOM 937 C GLY A 67 -7.950 2.044 -6.984 1.00 0.00 C ATOM 938 O GLY A 67 -8.490 0.943 -7.098 1.00 0.00 O ATOM 0 H GLY A 67 -6.339 4.512 -7.670 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.800 3.169 -8.798 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.688 1.818 -8.697 1.00 0.00 H new ATOM 942 N LEU A 68 -8.037 2.781 -5.882 1.00 0.00 N ATOM 943 CA LEU A 68 -8.790 2.329 -4.717 1.00 0.00 C ATOM 944 C LEU A 68 -10.113 3.079 -4.599 1.00 0.00 C ATOM 945 O LEU A 68 -10.349 4.056 -5.309 1.00 0.00 O ATOM 946 CB LEU A 68 -7.964 2.525 -3.445 1.00 0.00 C ATOM 947 CG LEU A 68 -6.602 1.830 -3.415 1.00 0.00 C ATOM 948 CD1 LEU A 68 -5.781 2.315 -2.230 1.00 0.00 C ATOM 949 CD2 LEU A 68 -6.776 0.319 -3.361 1.00 0.00 C ATOM 0 H LEU A 68 -7.596 3.694 -5.771 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.006 1.268 -4.843 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.807 3.594 -3.299 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.550 2.170 -2.597 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.067 2.083 -4.330 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.815 1.809 -2.225 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.627 3.391 -2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.312 2.092 -1.304 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.797 -0.159 -3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.331 0.049 -2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.325 -0.016 -4.241 1.00 0.00 H new ATOM 961 N SER A 69 -10.971 2.616 -3.696 1.00 0.00 N ATOM 962 CA SER A 69 -12.271 3.242 -3.485 1.00 0.00 C ATOM 963 C SER A 69 -12.214 4.237 -2.330 1.00 0.00 C ATOM 964 O SER A 69 -11.507 4.040 -1.342 1.00 0.00 O ATOM 965 CB SER A 69 -13.334 2.178 -3.205 1.00 0.00 C ATOM 966 OG SER A 69 -14.463 2.742 -2.562 1.00 0.00 O ATOM 0 H SER A 69 -10.789 1.809 -3.099 1.00 0.00 H new ATOM 0 HA SER A 69 -12.538 3.782 -4.393 1.00 0.00 H new ATOM 0 HB2 SER A 69 -13.640 1.711 -4.141 1.00 0.00 H new ATOM 0 HB3 SER A 69 -12.910 1.392 -2.580 1.00 0.00 H new ATOM 0 HG SER A 69 -15.128 2.042 -2.396 1.00 0.00 H new ATOM 972 N PRO A 70 -12.977 5.333 -2.456 1.00 0.00 N ATOM 973 CA PRO A 70 -13.032 6.381 -1.433 1.00 0.00 C ATOM 974 C PRO A 70 -13.738 5.917 -0.164 1.00 0.00 C ATOM 975 O PRO A 70 -14.740 5.203 -0.225 1.00 0.00 O ATOM 976 CB PRO A 70 -13.830 7.498 -2.111 1.00 0.00 C ATOM 977 CG PRO A 70 -14.663 6.801 -3.132 1.00 0.00 C ATOM 978 CD PRO A 70 -13.844 5.633 -3.608 1.00 0.00 C ATOM 0 HA PRO A 70 -12.037 6.686 -1.109 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -14.450 8.034 -1.393 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -13.170 8.232 -2.573 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -15.607 6.466 -2.703 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -14.907 7.469 -3.958 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -14.472 4.782 -3.871 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -13.262 5.885 -4.494 1.00 0.00 H new ATOM 986 N PHE A 71 -13.211 6.326 0.985 1.00 0.00 N ATOM 987 CA PHE A 71 -13.791 5.951 2.269 1.00 0.00 C ATOM 988 C PHE A 71 -13.697 4.444 2.489 1.00 0.00 C ATOM 989 O PHE A 71 -14.592 3.833 3.073 1.00 0.00 O ATOM 990 CB PHE A 71 -15.253 6.397 2.342 1.00 0.00 C ATOM 991 CG PHE A 71 -15.712 6.721 3.734 1.00 0.00 C ATOM 992 CD1 PHE A 71 -15.137 7.764 4.443 1.00 0.00 C ATOM 993 CD2 PHE A 71 -16.720 5.984 4.335 1.00 0.00 C ATOM 994 CE1 PHE A 71 -15.557 8.064 5.725 1.00 0.00 C ATOM 995 CE2 PHE A 71 -17.144 6.279 5.617 1.00 0.00 C ATOM 996 CZ PHE A 71 -16.563 7.321 6.312 1.00 0.00 C ATOM 0 H PHE A 71 -12.383 6.918 1.053 1.00 0.00 H new ATOM 0 HA PHE A 71 -13.225 6.452 3.055 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -15.389 7.275 1.710 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -15.886 5.609 1.934 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -14.351 8.349 3.988 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -17.180 5.169 3.795 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -15.099 8.878 6.267 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -17.929 5.695 6.075 1.00 0.00 H new ATOM 0 HZ PHE A 71 -16.894 7.555 7.313 1.00 0.00 H new ATOM 1006 N SER A 72 -12.605 3.850 2.016 1.00 0.00 N ATOM 1007 CA SER A 72 -12.394 2.414 2.157 1.00 0.00 C ATOM 1008 C SER A 72 -11.172 2.127 3.024 1.00 0.00 C ATOM 1009 O SER A 72 -10.420 3.036 3.375 1.00 0.00 O ATOM 1010 CB SER A 72 -12.222 1.765 0.782 1.00 0.00 C ATOM 1011 OG SER A 72 -11.006 2.169 0.177 1.00 0.00 O ATOM 0 H SER A 72 -11.853 4.341 1.532 1.00 0.00 H new ATOM 0 HA SER A 72 -13.271 1.989 2.644 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.238 0.680 0.884 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.060 2.038 0.140 1.00 0.00 H new ATOM 0 HG SER A 72 -11.198 2.763 -0.578 1.00 0.00 H new ATOM 1017 N GLU A 73 -10.981 0.856 3.365 1.00 0.00 N ATOM 1018 CA GLU A 73 -9.851 0.449 4.192 1.00 0.00 C ATOM 1019 C GLU A 73 -9.019 -0.618 3.487 1.00 0.00 C ATOM 1020 O GLU A 73 -9.559 -1.562 2.911 1.00 0.00 O ATOM 1021 CB GLU A 73 -10.342 -0.079 5.541 1.00 0.00 C ATOM 1022 CG GLU A 73 -9.309 0.030 6.650 1.00 0.00 C ATOM 1023 CD GLU A 73 -9.784 -0.584 7.952 1.00 0.00 C ATOM 1024 OE1 GLU A 73 -9.619 -1.810 8.126 1.00 0.00 O ATOM 1025 OE2 GLU A 73 -10.321 0.162 8.798 1.00 0.00 O ATOM 0 H GLU A 73 -11.594 0.091 3.082 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.222 1.323 4.360 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.236 0.472 5.833 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.633 -1.123 5.429 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.389 -0.463 6.334 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.068 1.080 6.815 1.00 0.00 H new ATOM 1032 N TYR A 74 -7.701 -0.460 3.538 1.00 0.00 N ATOM 1033 CA TYR A 74 -6.793 -1.408 2.903 1.00 0.00 C ATOM 1034 C TYR A 74 -5.519 -1.577 3.725 1.00 0.00 C ATOM 1035 O TYR A 74 -5.103 -0.666 4.440 1.00 0.00 O ATOM 1036 CB TYR A 74 -6.442 -0.941 1.489 1.00 0.00 C ATOM 1037 CG TYR A 74 -7.550 -1.168 0.484 1.00 0.00 C ATOM 1038 CD1 TYR A 74 -8.697 -0.383 0.497 1.00 0.00 C ATOM 1039 CD2 TYR A 74 -7.450 -2.167 -0.476 1.00 0.00 C ATOM 1040 CE1 TYR A 74 -9.711 -0.587 -0.418 1.00 0.00 C ATOM 1041 CE2 TYR A 74 -8.459 -2.376 -1.396 1.00 0.00 C ATOM 1042 CZ TYR A 74 -9.588 -1.584 -1.363 1.00 0.00 C ATOM 1043 OH TYR A 74 -10.596 -1.791 -2.277 1.00 0.00 O ATOM 0 H TYR A 74 -7.238 0.315 4.012 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.298 -2.372 2.846 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.199 0.121 1.516 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.546 -1.464 1.154 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.797 0.399 1.235 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.569 -2.791 -0.504 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -10.596 0.031 -0.394 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.364 -3.156 -2.137 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.351 -2.530 -2.872 1.00 0.00 H new ATOM 1053 N ALA A 75 -4.903 -2.749 3.616 1.00 0.00 N ATOM 1054 CA ALA A 75 -3.675 -3.038 4.346 1.00 0.00 C ATOM 1055 C ALA A 75 -2.471 -3.053 3.411 1.00 0.00 C ATOM 1056 O ALA A 75 -2.370 -3.901 2.524 1.00 0.00 O ATOM 1057 CB ALA A 75 -3.795 -4.368 5.076 1.00 0.00 C ATOM 0 H ALA A 75 -5.234 -3.514 3.029 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.523 -2.246 5.079 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -2.871 -4.571 5.617 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.625 -4.323 5.781 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.975 -5.164 4.354 1.00 0.00 H new ATOM 1063 N PHE A 76 -1.559 -2.108 3.614 1.00 0.00 N ATOM 1064 CA PHE A 76 -0.361 -2.011 2.788 1.00 0.00 C ATOM 1065 C PHE A 76 0.830 -2.673 3.475 1.00 0.00 C ATOM 1066 O PHE A 76 0.925 -2.681 4.703 1.00 0.00 O ATOM 1067 CB PHE A 76 -0.040 -0.545 2.487 1.00 0.00 C ATOM 1068 CG PHE A 76 -1.195 0.212 1.896 1.00 0.00 C ATOM 1069 CD1 PHE A 76 -1.412 0.213 0.527 1.00 0.00 C ATOM 1070 CD2 PHE A 76 -2.063 0.923 2.708 1.00 0.00 C ATOM 1071 CE1 PHE A 76 -2.474 0.908 -0.020 1.00 0.00 C ATOM 1072 CE2 PHE A 76 -3.126 1.620 2.167 1.00 0.00 C ATOM 1073 CZ PHE A 76 -3.331 1.614 0.801 1.00 0.00 C ATOM 0 H PHE A 76 -1.627 -1.398 4.344 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.554 -2.534 1.851 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.273 -0.053 3.408 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.804 -0.500 1.799 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.743 -0.336 -0.120 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.907 0.933 3.777 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -2.633 0.899 -1.088 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.796 2.169 2.812 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.160 2.160 0.376 1.00 0.00 H new ATOM 1083 N ARG A 77 1.734 -3.227 2.675 1.00 0.00 N ATOM 1084 CA ARG A 77 2.918 -3.893 3.205 1.00 0.00 C ATOM 1085 C ARG A 77 4.000 -4.012 2.136 1.00 0.00 C ATOM 1086 O ARG A 77 3.725 -4.396 1.000 1.00 0.00 O ATOM 1087 CB ARG A 77 2.553 -5.282 3.734 1.00 0.00 C ATOM 1088 CG ARG A 77 2.012 -6.218 2.665 1.00 0.00 C ATOM 1089 CD ARG A 77 1.604 -7.559 3.254 1.00 0.00 C ATOM 1090 NE ARG A 77 0.275 -7.510 3.857 1.00 0.00 N ATOM 1091 CZ ARG A 77 -0.183 -8.427 4.702 1.00 0.00 C ATOM 1092 NH1 ARG A 77 0.577 -9.459 5.042 1.00 0.00 N ATOM 1093 NH2 ARG A 77 -1.404 -8.313 5.209 1.00 0.00 N ATOM 0 H ARG A 77 1.670 -3.228 1.657 1.00 0.00 H new ATOM 0 HA ARG A 77 3.307 -3.290 4.025 1.00 0.00 H new ATOM 0 HB2 ARG A 77 3.436 -5.733 4.187 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.809 -5.177 4.523 1.00 0.00 H new ATOM 0 HG2 ARG A 77 1.153 -5.757 2.177 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.770 -6.372 1.897 1.00 0.00 H new ATOM 0 HD2 ARG A 77 1.620 -8.318 2.472 1.00 0.00 H new ATOM 0 HD3 ARG A 77 2.333 -7.861 4.006 1.00 0.00 H new ATOM 0 HE ARG A 77 -0.335 -6.729 3.616 1.00 0.00 H new ATOM 0 HH11 ARG A 77 1.516 -9.550 4.655 1.00 0.00 H new ATOM 0 HH12 ARG A 77 0.223 -10.161 5.691 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.992 -7.521 4.950 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -1.755 -9.018 5.858 1.00 0.00 H new ATOM 1107 N VAL A 78 5.232 -3.679 2.509 1.00 0.00 N ATOM 1108 CA VAL A 78 6.356 -3.748 1.583 1.00 0.00 C ATOM 1109 C VAL A 78 7.314 -4.870 1.965 1.00 0.00 C ATOM 1110 O VAL A 78 7.376 -5.281 3.125 1.00 0.00 O ATOM 1111 CB VAL A 78 7.131 -2.418 1.540 1.00 0.00 C ATOM 1112 CG1 VAL A 78 8.169 -2.440 0.429 1.00 0.00 C ATOM 1113 CG2 VAL A 78 6.173 -1.249 1.363 1.00 0.00 C ATOM 0 H VAL A 78 5.477 -3.359 3.446 1.00 0.00 H new ATOM 0 HA VAL A 78 5.941 -3.949 0.596 1.00 0.00 H new ATOM 0 HB VAL A 78 7.652 -2.291 2.489 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.706 -1.492 0.414 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.873 -3.253 0.605 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.673 -2.591 -0.530 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.738 -0.317 1.335 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.622 -1.368 0.430 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.472 -1.223 2.197 1.00 0.00 H new ATOM 1123 N LEU A 79 8.061 -5.363 0.983 1.00 0.00 N ATOM 1124 CA LEU A 79 9.019 -6.439 1.217 1.00 0.00 C ATOM 1125 C LEU A 79 10.226 -6.302 0.294 1.00 0.00 C ATOM 1126 O LEU A 79 10.095 -5.891 -0.858 1.00 0.00 O ATOM 1127 CB LEU A 79 8.350 -7.798 1.004 1.00 0.00 C ATOM 1128 CG LEU A 79 7.727 -8.031 -0.373 1.00 0.00 C ATOM 1129 CD1 LEU A 79 7.635 -9.520 -0.671 1.00 0.00 C ATOM 1130 CD2 LEU A 79 6.352 -7.384 -0.452 1.00 0.00 C ATOM 0 H LEU A 79 8.022 -5.035 0.018 1.00 0.00 H new ATOM 0 HA LEU A 79 9.364 -6.369 2.249 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.091 -8.577 1.182 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.572 -7.920 1.758 1.00 0.00 H new ATOM 0 HG LEU A 79 8.368 -7.569 -1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.189 -9.667 -1.655 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.634 -9.956 -0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.016 -10.005 0.084 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.923 -7.560 -1.439 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.702 -7.817 0.308 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.444 -6.311 -0.282 1.00 0.00 H new ATOM 1142 N ALA A 80 11.400 -6.654 0.808 1.00 0.00 N ATOM 1143 CA ALA A 80 12.629 -6.575 0.029 1.00 0.00 C ATOM 1144 C ALA A 80 12.759 -7.766 -0.914 1.00 0.00 C ATOM 1145 O ALA A 80 12.404 -8.891 -0.562 1.00 0.00 O ATOM 1146 CB ALA A 80 13.835 -6.497 0.953 1.00 0.00 C ATOM 0 H ALA A 80 11.526 -6.997 1.761 1.00 0.00 H new ATOM 0 HA ALA A 80 12.589 -5.669 -0.576 1.00 0.00 H new ATOM 0 HB1 ALA A 80 14.746 -6.438 0.358 1.00 0.00 H new ATOM 0 HB2 ALA A 80 13.755 -5.610 1.582 1.00 0.00 H new ATOM 0 HB3 ALA A 80 13.869 -7.386 1.582 1.00 0.00 H new ATOM 1152 N VAL A 81 13.269 -7.512 -2.115 1.00 0.00 N ATOM 1153 CA VAL A 81 13.446 -8.564 -3.109 1.00 0.00 C ATOM 1154 C VAL A 81 14.695 -8.323 -3.948 1.00 0.00 C ATOM 1155 O VAL A 81 14.848 -7.269 -4.564 1.00 0.00 O ATOM 1156 CB VAL A 81 12.225 -8.665 -4.043 1.00 0.00 C ATOM 1157 CG1 VAL A 81 12.262 -9.964 -4.833 1.00 0.00 C ATOM 1158 CG2 VAL A 81 10.934 -8.552 -3.246 1.00 0.00 C ATOM 0 H VAL A 81 13.567 -6.586 -2.423 1.00 0.00 H new ATOM 0 HA VAL A 81 13.554 -9.501 -2.562 1.00 0.00 H new ATOM 0 HB VAL A 81 12.262 -7.837 -4.751 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.392 -10.017 -5.487 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.170 -9.998 -5.434 1.00 0.00 H new ATOM 0 HG13 VAL A 81 12.251 -10.809 -4.145 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.082 -8.625 -3.922 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.887 -9.358 -2.514 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.907 -7.592 -2.731 1.00 0.00 H new ATOM 1168 N ASN A 82 15.587 -9.308 -3.968 1.00 0.00 N ATOM 1169 CA ASN A 82 16.825 -9.203 -4.732 1.00 0.00 C ATOM 1170 C ASN A 82 17.120 -10.505 -5.471 1.00 0.00 C ATOM 1171 O ASN A 82 16.335 -11.451 -5.420 1.00 0.00 O ATOM 1172 CB ASN A 82 17.992 -8.853 -3.807 1.00 0.00 C ATOM 1173 CG ASN A 82 18.531 -10.065 -3.072 1.00 0.00 C ATOM 1174 OD1 ASN A 82 19.417 -10.761 -3.566 1.00 0.00 O ATOM 1175 ND2 ASN A 82 17.996 -10.322 -1.884 1.00 0.00 N ATOM 0 H ASN A 82 15.476 -10.188 -3.464 1.00 0.00 H new ATOM 0 HA ASN A 82 16.702 -8.408 -5.467 1.00 0.00 H new ATOM 0 HB2 ASN A 82 18.793 -8.401 -4.392 1.00 0.00 H new ATOM 0 HB3 ASN A 82 17.666 -8.107 -3.082 1.00 0.00 H new ATOM 0 HD21 ASN A 82 18.318 -11.124 -1.342 1.00 0.00 H new ATOM 0 HD22 ASN A 82 17.263 -9.717 -1.513 1.00 0.00 H new ATOM 1182 N SER A 83 18.258 -10.544 -6.157 1.00 0.00 N ATOM 1183 CA SER A 83 18.656 -11.728 -6.909 1.00 0.00 C ATOM 1184 C SER A 83 18.239 -13.001 -6.179 1.00 0.00 C ATOM 1185 O SER A 83 17.790 -13.966 -6.799 1.00 0.00 O ATOM 1186 CB SER A 83 20.169 -11.730 -7.136 1.00 0.00 C ATOM 1187 OG SER A 83 20.528 -12.619 -8.179 1.00 0.00 O ATOM 0 H SER A 83 18.920 -9.770 -6.207 1.00 0.00 H new ATOM 0 HA SER A 83 18.151 -11.701 -7.874 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.504 -10.722 -7.382 1.00 0.00 H new ATOM 0 HB3 SER A 83 20.677 -12.020 -6.216 1.00 0.00 H new ATOM 0 HG SER A 83 21.500 -12.600 -8.305 1.00 0.00 H new ATOM 1193 N ILE A 84 18.391 -12.996 -4.859 1.00 0.00 N ATOM 1194 CA ILE A 84 18.030 -14.149 -4.044 1.00 0.00 C ATOM 1195 C ILE A 84 16.534 -14.436 -4.130 1.00 0.00 C ATOM 1196 O ILE A 84 16.122 -15.518 -4.544 1.00 0.00 O ATOM 1197 CB ILE A 84 18.417 -13.939 -2.568 1.00 0.00 C ATOM 1198 CG1 ILE A 84 19.882 -13.513 -2.458 1.00 0.00 C ATOM 1199 CG2 ILE A 84 18.167 -15.209 -1.769 1.00 0.00 C ATOM 1200 CD1 ILE A 84 20.853 -14.672 -2.502 1.00 0.00 C ATOM 0 H ILE A 84 18.762 -12.206 -4.331 1.00 0.00 H new ATOM 0 HA ILE A 84 18.585 -15.000 -4.439 1.00 0.00 H new ATOM 0 HB ILE A 84 17.796 -13.145 -2.154 1.00 0.00 H new ATOM 0 HG12 ILE A 84 20.114 -12.824 -3.270 1.00 0.00 H new ATOM 0 HG13 ILE A 84 20.024 -12.966 -1.526 1.00 0.00 H new ATOM 0 HG21 ILE A 84 18.445 -15.045 -0.728 1.00 0.00 H new ATOM 0 HG22 ILE A 84 17.111 -15.472 -1.825 1.00 0.00 H new ATOM 0 HG23 ILE A 84 18.766 -16.022 -2.181 1.00 0.00 H new ATOM 0 HD11 ILE A 84 21.873 -14.296 -2.419 1.00 0.00 H new ATOM 0 HD12 ILE A 84 20.648 -15.350 -1.674 1.00 0.00 H new ATOM 0 HD13 ILE A 84 20.739 -15.206 -3.445 1.00 0.00 H new ATOM 1212 N GLY A 85 15.726 -13.456 -3.737 1.00 0.00 N ATOM 1213 CA GLY A 85 14.285 -13.622 -3.779 1.00 0.00 C ATOM 1214 C GLY A 85 13.559 -12.608 -2.917 1.00 0.00 C ATOM 1215 O GLY A 85 14.167 -11.664 -2.413 1.00 0.00 O ATOM 0 H GLY A 85 16.043 -12.551 -3.391 1.00 0.00 H new ATOM 0 HA2 GLY A 85 13.942 -13.530 -4.809 1.00 0.00 H new ATOM 0 HA3 GLY A 85 14.028 -14.628 -3.446 1.00 0.00 H new ATOM 1219 N ARG A 86 12.255 -12.801 -2.750 1.00 0.00 N ATOM 1220 CA ARG A 86 11.445 -11.894 -1.946 1.00 0.00 C ATOM 1221 C ARG A 86 11.345 -12.387 -0.505 1.00 0.00 C ATOM 1222 O ARG A 86 10.805 -13.461 -0.242 1.00 0.00 O ATOM 1223 CB ARG A 86 10.045 -11.756 -2.547 1.00 0.00 C ATOM 1224 CG ARG A 86 9.322 -13.082 -2.718 1.00 0.00 C ATOM 1225 CD ARG A 86 7.981 -12.901 -3.410 1.00 0.00 C ATOM 1226 NE ARG A 86 7.587 -14.089 -4.162 1.00 0.00 N ATOM 1227 CZ ARG A 86 8.169 -14.467 -5.295 1.00 0.00 C ATOM 1228 NH1 ARG A 86 9.165 -13.754 -5.803 1.00 0.00 N ATOM 1229 NH2 ARG A 86 7.755 -15.561 -5.922 1.00 0.00 N ATOM 0 H ARG A 86 11.737 -13.578 -3.161 1.00 0.00 H new ATOM 0 HA ARG A 86 11.930 -10.918 -1.946 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.447 -11.106 -1.908 1.00 0.00 H new ATOM 0 HB3 ARG A 86 10.122 -11.266 -3.518 1.00 0.00 H new ATOM 0 HG2 ARG A 86 9.943 -13.764 -3.299 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.170 -13.543 -1.742 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.217 -12.673 -2.666 1.00 0.00 H new ATOM 0 HD3 ARG A 86 8.034 -12.046 -4.084 1.00 0.00 H new ATOM 0 HE ARG A 86 6.824 -14.659 -3.798 1.00 0.00 H new ATOM 0 HH11 ARG A 86 9.486 -12.913 -5.324 1.00 0.00 H new ATOM 0 HH12 ARG A 86 9.610 -14.047 -6.673 1.00 0.00 H new ATOM 0 HH21 ARG A 86 6.989 -16.112 -5.534 1.00 0.00 H new ATOM 0 HH22 ARG A 86 8.202 -15.850 -6.792 1.00 0.00 H new ATOM 1243 N GLY A 87 11.869 -11.594 0.425 1.00 0.00 N ATOM 1244 CA GLY A 87 11.829 -11.967 1.827 1.00 0.00 C ATOM 1245 C GLY A 87 10.451 -11.793 2.434 1.00 0.00 C ATOM 1246 O GLY A 87 9.462 -11.581 1.731 1.00 0.00 O ATOM 0 H GLY A 87 12.320 -10.700 0.232 1.00 0.00 H new ATOM 0 HA2 GLY A 87 12.140 -13.006 1.932 1.00 0.00 H new ATOM 0 HA3 GLY A 87 12.546 -11.362 2.381 1.00 0.00 H new ATOM 1250 N PRO A 88 10.373 -11.883 3.769 1.00 0.00 N ATOM 1251 CA PRO A 88 9.111 -11.738 4.500 1.00 0.00 C ATOM 1252 C PRO A 88 8.583 -10.307 4.468 1.00 0.00 C ATOM 1253 O PRO A 88 9.345 -9.340 4.443 1.00 0.00 O ATOM 1254 CB PRO A 88 9.481 -12.139 5.930 1.00 0.00 C ATOM 1255 CG PRO A 88 10.941 -11.865 6.035 1.00 0.00 C ATOM 1256 CD PRO A 88 11.512 -12.133 4.670 1.00 0.00 C ATOM 0 HA PRO A 88 8.316 -12.344 4.065 1.00 0.00 H new ATOM 0 HB2 PRO A 88 8.916 -11.561 6.662 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.261 -13.190 6.116 1.00 0.00 H new ATOM 0 HG2 PRO A 88 11.124 -10.834 6.339 1.00 0.00 H new ATOM 0 HG3 PRO A 88 11.405 -12.506 6.785 1.00 0.00 H new ATOM 0 HD2 PRO A 88 12.352 -11.474 4.449 1.00 0.00 H new ATOM 0 HD3 PRO A 88 11.878 -13.156 4.581 1.00 0.00 H new ATOM 1264 N PRO A 89 7.249 -10.167 4.469 1.00 0.00 N ATOM 1265 CA PRO A 89 6.591 -8.858 4.441 1.00 0.00 C ATOM 1266 C PRO A 89 6.771 -8.091 5.747 1.00 0.00 C ATOM 1267 O PRO A 89 6.945 -8.687 6.809 1.00 0.00 O ATOM 1268 CB PRO A 89 5.116 -9.207 4.225 1.00 0.00 C ATOM 1269 CG PRO A 89 4.971 -10.588 4.764 1.00 0.00 C ATOM 1270 CD PRO A 89 6.281 -11.276 4.498 1.00 0.00 C ATOM 0 HA PRO A 89 7.007 -8.209 3.670 1.00 0.00 H new ATOM 0 HB2 PRO A 89 4.463 -8.508 4.747 1.00 0.00 H new ATOM 0 HB3 PRO A 89 4.850 -9.164 3.169 1.00 0.00 H new ATOM 0 HG2 PRO A 89 4.750 -10.569 5.831 1.00 0.00 H new ATOM 0 HG3 PRO A 89 4.149 -11.113 4.277 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.521 -11.999 5.278 1.00 0.00 H new ATOM 0 HD3 PRO A 89 6.265 -11.820 3.554 1.00 0.00 H new ATOM 1278 N SER A 90 6.726 -6.765 5.660 1.00 0.00 N ATOM 1279 CA SER A 90 6.888 -5.916 6.834 1.00 0.00 C ATOM 1280 C SER A 90 5.567 -5.770 7.584 1.00 0.00 C ATOM 1281 O SER A 90 4.512 -6.160 7.086 1.00 0.00 O ATOM 1282 CB SER A 90 7.411 -4.538 6.425 1.00 0.00 C ATOM 1283 OG SER A 90 7.365 -3.632 7.514 1.00 0.00 O ATOM 0 H SER A 90 6.579 -6.256 4.789 1.00 0.00 H new ATOM 0 HA SER A 90 7.612 -6.389 7.497 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.436 -4.627 6.064 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.815 -4.150 5.599 1.00 0.00 H new ATOM 0 HG SER A 90 8.278 -3.392 7.779 1.00 0.00 H new ATOM 1289 N GLU A 91 5.636 -5.204 8.786 1.00 0.00 N ATOM 1290 CA GLU A 91 4.446 -5.007 9.605 1.00 0.00 C ATOM 1291 C GLU A 91 3.333 -4.344 8.798 1.00 0.00 C ATOM 1292 O GLU A 91 3.289 -3.121 8.670 1.00 0.00 O ATOM 1293 CB GLU A 91 4.780 -4.154 10.831 1.00 0.00 C ATOM 1294 CG GLU A 91 5.446 -2.832 10.489 1.00 0.00 C ATOM 1295 CD GLU A 91 6.068 -2.163 11.699 1.00 0.00 C ATOM 1296 OE1 GLU A 91 5.414 -2.135 12.763 1.00 0.00 O ATOM 1297 OE2 GLU A 91 7.208 -1.667 11.583 1.00 0.00 O ATOM 0 H GLU A 91 6.502 -4.875 9.213 1.00 0.00 H new ATOM 0 HA GLU A 91 4.097 -5.985 9.936 1.00 0.00 H new ATOM 0 HB2 GLU A 91 3.863 -3.956 11.386 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.436 -4.722 11.491 1.00 0.00 H new ATOM 0 HG2 GLU A 91 6.216 -3.001 9.736 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.709 -2.162 10.046 1.00 0.00 H new ATOM 1304 N ALA A 92 2.436 -5.162 8.256 1.00 0.00 N ATOM 1305 CA ALA A 92 1.323 -4.656 7.463 1.00 0.00 C ATOM 1306 C ALA A 92 0.629 -3.496 8.168 1.00 0.00 C ATOM 1307 O ALA A 92 0.269 -3.596 9.342 1.00 0.00 O ATOM 1308 CB ALA A 92 0.330 -5.772 7.175 1.00 0.00 C ATOM 0 H ALA A 92 2.459 -6.177 8.352 1.00 0.00 H new ATOM 0 HA ALA A 92 1.721 -4.286 6.518 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.496 -5.380 6.582 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.828 -6.568 6.622 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.054 -6.169 8.115 1.00 0.00 H new ATOM 1314 N VAL A 93 0.444 -2.395 7.446 1.00 0.00 N ATOM 1315 CA VAL A 93 -0.208 -1.216 8.003 1.00 0.00 C ATOM 1316 C VAL A 93 -1.589 -1.011 7.392 1.00 0.00 C ATOM 1317 O VAL A 93 -1.811 -1.313 6.219 1.00 0.00 O ATOM 1318 CB VAL A 93 0.636 0.052 7.775 1.00 0.00 C ATOM 1319 CG1 VAL A 93 1.994 -0.082 8.447 1.00 0.00 C ATOM 1320 CG2 VAL A 93 0.793 0.326 6.287 1.00 0.00 C ATOM 0 H VAL A 93 0.737 -2.295 6.474 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.310 -1.388 9.075 1.00 0.00 H new ATOM 0 HB VAL A 93 0.117 0.899 8.225 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.576 0.823 8.275 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.857 -0.227 9.519 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.524 -0.938 8.030 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.392 1.225 6.144 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.289 -0.520 5.812 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.190 0.469 5.838 1.00 0.00 H new ATOM 1330 N ARG A 94 -2.515 -0.495 8.194 1.00 0.00 N ATOM 1331 CA ARG A 94 -3.876 -0.251 7.732 1.00 0.00 C ATOM 1332 C ARG A 94 -4.152 1.246 7.623 1.00 0.00 C ATOM 1333 O ARG A 94 -3.995 1.989 8.592 1.00 0.00 O ATOM 1334 CB ARG A 94 -4.884 -0.898 8.683 1.00 0.00 C ATOM 1335 CG ARG A 94 -5.077 -2.387 8.444 1.00 0.00 C ATOM 1336 CD ARG A 94 -6.316 -2.909 9.155 1.00 0.00 C ATOM 1337 NE ARG A 94 -6.038 -3.276 10.541 1.00 0.00 N ATOM 1338 CZ ARG A 94 -6.878 -3.970 11.300 1.00 0.00 C ATOM 1339 NH1 ARG A 94 -8.042 -4.372 10.809 1.00 0.00 N ATOM 1340 NH2 ARG A 94 -6.554 -4.265 12.552 1.00 0.00 N ATOM 0 H ARG A 94 -2.347 -0.238 9.167 1.00 0.00 H new ATOM 0 HA ARG A 94 -3.983 -0.696 6.743 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -4.553 -0.743 9.710 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -5.845 -0.394 8.578 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -5.163 -2.577 7.374 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -4.199 -2.930 8.795 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.096 -2.147 9.131 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -6.702 -3.777 8.621 1.00 0.00 H new ATOM 0 HE ARG A 94 -5.150 -2.983 10.948 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -8.294 -4.148 9.846 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -8.686 -4.905 11.394 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -5.659 -3.959 12.933 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -7.200 -4.798 13.134 1.00 0.00 H new ATOM 1354 N ALA A 95 -4.563 1.682 6.437 1.00 0.00 N ATOM 1355 CA ALA A 95 -4.863 3.089 6.202 1.00 0.00 C ATOM 1356 C ALA A 95 -6.143 3.250 5.390 1.00 0.00 C ATOM 1357 O ALA A 95 -6.262 2.714 4.288 1.00 0.00 O ATOM 1358 CB ALA A 95 -3.698 3.765 5.494 1.00 0.00 C ATOM 0 H ALA A 95 -4.696 1.081 5.624 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.015 3.569 7.169 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -3.935 4.815 5.325 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.804 3.690 6.112 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.520 3.274 4.537 1.00 0.00 H new ATOM 1364 N ARG A 96 -7.099 3.990 5.942 1.00 0.00 N ATOM 1365 CA ARG A 96 -8.372 4.219 5.269 1.00 0.00 C ATOM 1366 C ARG A 96 -8.287 5.427 4.341 1.00 0.00 C ATOM 1367 O ARG A 96 -7.925 6.526 4.765 1.00 0.00 O ATOM 1368 CB ARG A 96 -9.486 4.430 6.297 1.00 0.00 C ATOM 1369 CG ARG A 96 -10.878 4.155 5.751 1.00 0.00 C ATOM 1370 CD ARG A 96 -11.956 4.697 6.676 1.00 0.00 C ATOM 1371 NE ARG A 96 -13.202 3.944 6.566 1.00 0.00 N ATOM 1372 CZ ARG A 96 -13.315 2.660 6.888 1.00 0.00 C ATOM 1373 NH1 ARG A 96 -12.262 1.990 7.337 1.00 0.00 N ATOM 1374 NH2 ARG A 96 -14.483 2.043 6.760 1.00 0.00 N ATOM 0 H ARG A 96 -7.016 4.441 6.853 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.601 3.338 4.670 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -9.306 3.781 7.154 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -9.444 5.457 6.661 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -10.980 4.610 4.766 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.014 3.081 5.622 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -11.601 4.662 7.706 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -12.144 5.744 6.439 1.00 0.00 H new ATOM 0 HE ARG A 96 -14.031 4.430 6.223 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -11.362 2.460 7.436 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -12.352 1.004 7.583 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -15.295 2.555 6.414 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -14.569 1.057 7.007 1.00 0.00 H new ATOM 1388 N THR A 97 -8.622 5.217 3.072 1.00 0.00 N ATOM 1389 CA THR A 97 -8.581 6.287 2.083 1.00 0.00 C ATOM 1390 C THR A 97 -9.643 7.342 2.372 1.00 0.00 C ATOM 1391 O THR A 97 -10.641 7.067 3.036 1.00 0.00 O ATOM 1392 CB THR A 97 -8.789 5.742 0.657 1.00 0.00 C ATOM 1393 OG1 THR A 97 -10.154 5.347 0.478 1.00 0.00 O ATOM 1394 CG2 THR A 97 -7.873 4.557 0.391 1.00 0.00 C ATOM 0 H THR A 97 -8.925 4.315 2.705 1.00 0.00 H new ATOM 0 HA THR A 97 -7.593 6.742 2.149 1.00 0.00 H new ATOM 0 HB THR A 97 -8.545 6.535 -0.050 1.00 0.00 H new ATOM 0 HG1 THR A 97 -10.242 4.844 -0.359 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.038 4.190 -0.622 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.834 4.869 0.499 1.00 0.00 H new ATOM 0 HG23 THR A 97 -8.089 3.762 1.105 1.00 0.00 H new ATOM 1402 N GLY A 98 -9.420 8.552 1.868 1.00 0.00 N ATOM 1403 CA GLY A 98 -10.367 9.631 2.082 1.00 0.00 C ATOM 1404 C GLY A 98 -11.570 9.537 1.165 1.00 0.00 C ATOM 1405 O GLY A 98 -11.653 8.637 0.330 1.00 0.00 O ATOM 0 H GLY A 98 -8.601 8.804 1.315 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.702 9.615 3.119 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -9.867 10.586 1.923 1.00 0.00 H new