USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 596 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 13 ASN : amide:sc= 1.8 K(o=3.8,f=-8.3!) USER MOD Set 1.2: A 65 LYS NZ :NH3+ -120:sc= 1.29 (180deg=1.04) USER MOD Set 1.3: A 67 ASN : amide:sc= 0.73 K(o=3.8,f=-8.3) USER MOD Set 2.1: A 37 SER OG : rot -14:sc= 1.18 USER MOD Set 2.2: A 38 GLN : amide:sc= -2.67! C(o=-1.5!,f=-21!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -86:sc= 0.443 USER MOD Single : A 11 ASN : amide:sc= -0.0115 K(o=-0.012,f=-1) USER MOD Single : A 12 HIS : no HD1:sc= -0.227 K(o=-0.23,f=-0.96) USER MOD Single : A 14 THR OG1 : rot 40:sc= 0.128 USER MOD Single : A 15 MET CE :methyl -132:sc= -0.395 (180deg=-1.02) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -33:sc= 0.0284 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 66:sc= 0.981 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.338 K(o=-0.34,f=-5.2!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -0.427 X(o=-0.43,f=-0.67) USER MOD Single : A 58 MET CE :methyl -167:sc= -0.0168 (180deg=-0.243) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.0113 X(o=-0.011,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -10.031 3.271 4.137 1.00 50.00 N ATOM 21 CA LYS A 2 -9.794 4.699 4.309 1.00 50.00 C ATOM 22 C LYS A 2 -8.702 4.955 5.339 1.00 50.00 C ATOM 23 O LYS A 2 -8.702 4.361 6.418 1.00 50.00 O ATOM 24 CB LYS A 2 -11.084 5.409 4.722 1.00 50.00 C ATOM 25 CG LYS A 2 -10.960 6.923 4.836 1.00 50.00 C ATOM 26 CD LYS A 2 -12.320 7.577 5.026 1.00 50.00 C ATOM 27 CE LYS A 2 -12.203 9.093 5.079 1.00 75.00 C ATOM 28 NZ LYS A 2 -13.536 9.756 5.060 1.00 75.00 N ATOM 0 HA LYS A 2 -9.460 5.100 3.352 1.00 50.00 H new ATOM 0 HB2 LYS A 2 -11.862 5.174 3.996 1.00 50.00 H new ATOM 0 HB3 LYS A 2 -11.413 5.010 5.682 1.00 50.00 H new ATOM 0 HG2 LYS A 2 -10.313 7.175 5.676 1.00 50.00 H new ATOM 0 HG3 LYS A 2 -10.486 7.320 3.938 1.00 50.00 H new ATOM 0 HD2 LYS A 2 -12.981 7.290 4.208 1.00 50.00 H new ATOM 0 HD3 LYS A 2 -12.775 7.213 5.947 1.00 50.00 H new ATOM 0 HE2 LYS A 2 -11.666 9.384 5.982 1.00 75.00 H new ATOM 0 HE3 LYS A 2 -11.613 9.441 4.231 1.00 75.00 H new ATOM 0 HZ1 LYS A 2 -13.411 10.788 5.097 1.00 75.00 H new ATOM 0 HZ2 LYS A 2 -14.039 9.500 4.186 1.00 75.00 H new ATOM 0 HZ3 LYS A 2 -14.090 9.444 5.883 1.00 75.00 H new ATOM 42 N ILE A 3 -7.773 5.843 5.002 1.00 50.00 N ATOM 43 CA ILE A 3 -6.577 6.045 5.810 1.00 50.00 C ATOM 44 C ILE A 3 -6.918 6.695 7.145 1.00 50.00 C ATOM 45 O ILE A 3 -7.612 7.711 7.192 1.00 50.00 O ATOM 46 CB ILE A 3 -5.540 6.916 5.077 1.00 50.00 C ATOM 47 CG1 ILE A 3 -5.021 6.192 3.831 1.00 50.00 C ATOM 48 CG2 ILE A 3 -4.390 7.271 6.007 1.00 50.00 C ATOM 49 CD1 ILE A 3 -4.208 7.071 2.908 1.00 50.00 C ATOM 0 H ILE A 3 -7.826 6.435 4.173 1.00 50.00 H new ATOM 0 HA ILE A 3 -6.148 5.059 5.988 1.00 50.00 H new ATOM 0 HB ILE A 3 -6.024 7.840 4.762 1.00 50.00 H new ATOM 0 HG12 ILE A 3 -4.410 5.345 4.143 1.00 50.00 H new ATOM 0 HG13 ILE A 3 -5.869 5.787 3.278 1.00 50.00 H new ATOM 0 HG21 ILE A 3 -3.667 7.887 5.472 1.00 50.00 H new ATOM 0 HG22 ILE A 3 -4.773 7.824 6.865 1.00 50.00 H new ATOM 0 HG23 ILE A 3 -3.905 6.357 6.351 1.00 50.00 H new ATOM 0 HD11 ILE A 3 -3.876 6.488 2.049 1.00 50.00 H new ATOM 0 HD12 ILE A 3 -4.821 7.904 2.565 1.00 50.00 H new ATOM 0 HD13 ILE A 3 -3.340 7.456 3.443 1.00 50.00 H new ATOM 61 N ILE A 4 -6.426 6.103 8.228 1.00 10.00 N ATOM 62 CA ILE A 4 -6.395 6.775 9.521 1.00 10.00 C ATOM 63 C ILE A 4 -5.007 7.324 9.823 1.00 10.00 C ATOM 64 O ILE A 4 -4.864 8.461 10.271 1.00 50.00 O ATOM 65 CB ILE A 4 -6.822 5.830 10.659 1.00 50.00 C ATOM 66 CG1 ILE A 4 -8.293 5.432 10.501 1.00 50.00 C ATOM 67 CG2 ILE A 4 -6.587 6.486 12.012 1.00 50.00 C ATOM 68 CD1 ILE A 4 -8.758 4.403 11.505 1.00 50.00 C ATOM 0 H ILE A 4 -6.043 5.158 8.235 1.00 10.00 H new ATOM 0 HA ILE A 4 -7.104 7.601 9.463 1.00 10.00 H new ATOM 0 HB ILE A 4 -6.214 4.927 10.605 1.00 50.00 H new ATOM 0 HG12 ILE A 4 -8.913 6.324 10.595 1.00 50.00 H new ATOM 0 HG13 ILE A 4 -8.448 5.041 9.496 1.00 50.00 H new ATOM 0 HG21 ILE A 4 -6.894 5.804 12.805 1.00 50.00 H new ATOM 0 HG22 ILE A 4 -5.528 6.720 12.124 1.00 50.00 H new ATOM 0 HG23 ILE A 4 -7.170 7.405 12.077 1.00 50.00 H new ATOM 0 HD11 ILE A 4 -9.809 4.172 11.330 1.00 50.00 H new ATOM 0 HD12 ILE A 4 -8.164 3.495 11.397 1.00 50.00 H new ATOM 0 HD13 ILE A 4 -8.637 4.798 12.514 1.00 50.00 H new ATOM 80 N SER A 5 -3.987 6.509 9.576 1.00 10.00 N ATOM 81 CA SER A 5 -2.610 6.899 9.854 1.00 10.00 C ATOM 82 C SER A 5 -1.625 6.013 9.104 1.00 10.00 C ATOM 83 O SER A 5 -1.721 4.786 9.147 1.00 50.00 O ATOM 84 CB SER A 5 -2.342 6.842 11.345 1.00 50.00 C ATOM 85 OG SER A 5 -1.010 7.147 11.653 1.00 50.00 O ATOM 0 H SER A 5 -4.088 5.573 9.183 1.00 10.00 H new ATOM 0 HA SER A 5 -2.471 7.923 9.507 1.00 10.00 H new ATOM 0 HB2 SER A 5 -3.002 7.542 11.858 1.00 50.00 H new ATOM 0 HB3 SER A 5 -2.581 5.846 11.718 1.00 50.00 H new ATOM 0 HG SER A 5 -0.880 7.101 12.623 1.00 50.00 H new ATOM 91 N ILE A 6 -0.677 6.640 8.416 1.00 10.00 N ATOM 92 CA ILE A 6 0.404 5.913 7.762 1.00 10.00 C ATOM 93 C ILE A 6 1.728 6.128 8.486 1.00 10.00 C ATOM 94 O ILE A 6 2.157 7.263 8.692 1.00 50.00 O ATOM 95 CB ILE A 6 0.560 6.337 6.290 1.00 50.00 C ATOM 96 CG1 ILE A 6 -0.726 6.049 5.512 1.00 50.00 C ATOM 97 CG2 ILE A 6 1.742 5.622 5.653 1.00 50.00 C ATOM 98 CD1 ILE A 6 -0.684 6.500 4.070 1.00 50.00 C ATOM 0 H ILE A 6 -0.636 7.652 8.297 1.00 10.00 H new ATOM 0 HA ILE A 6 0.140 4.856 7.799 1.00 10.00 H new ATOM 0 HB ILE A 6 0.749 7.410 6.257 1.00 50.00 H new ATOM 0 HG12 ILE A 6 -0.925 4.978 5.542 1.00 50.00 H new ATOM 0 HG13 ILE A 6 -1.560 6.542 6.012 1.00 50.00 H new ATOM 0 HG21 ILE A 6 1.838 5.933 4.613 1.00 50.00 H new ATOM 0 HG22 ILE A 6 2.654 5.875 6.193 1.00 50.00 H new ATOM 0 HG23 ILE A 6 1.582 4.545 5.696 1.00 50.00 H new ATOM 0 HD11 ILE A 6 -1.631 6.261 3.586 1.00 50.00 H new ATOM 0 HD12 ILE A 6 -0.518 7.576 4.030 1.00 50.00 H new ATOM 0 HD13 ILE A 6 0.127 5.988 3.552 1.00 50.00 H new ATOM 110 N SER A 7 2.370 5.030 8.867 1.00 10.00 N ATOM 111 CA SER A 7 3.594 5.095 9.658 1.00 10.00 C ATOM 112 C SER A 7 4.666 4.172 9.090 1.00 10.00 C ATOM 113 O SER A 7 4.402 3.383 8.182 1.00 50.00 O ATOM 114 CB SER A 7 3.302 4.740 11.102 1.00 50.00 C ATOM 115 OG SER A 7 2.915 3.401 11.248 1.00 50.00 O ATOM 0 H SER A 7 2.064 4.084 8.641 1.00 10.00 H new ATOM 0 HA SER A 7 3.973 6.116 9.614 1.00 10.00 H new ATOM 0 HB2 SER A 7 4.188 4.929 11.708 1.00 50.00 H new ATOM 0 HB3 SER A 7 2.513 5.389 11.482 1.00 50.00 H new ATOM 0 HG SER A 7 2.738 3.213 12.193 1.00 50.00 H new ATOM 121 N GLU A 8 5.875 4.274 9.631 1.00 10.00 N ATOM 122 CA GLU A 8 6.985 3.441 9.186 1.00 50.00 C ATOM 123 C GLU A 8 7.004 2.109 9.926 1.00 10.00 C ATOM 124 O GLU A 8 6.276 1.919 10.900 1.00 50.00 O ATOM 125 CB GLU A 8 8.315 4.171 9.385 1.00 50.00 C ATOM 126 CG GLU A 8 8.475 5.427 8.541 1.00 50.00 C ATOM 127 CD GLU A 8 9.787 6.109 8.817 1.00 50.00 C ATOM 128 OE1 GLU A 8 10.477 5.685 9.714 1.00 50.00 O ATOM 129 OE2 GLU A 8 10.151 6.980 8.064 1.00 50.00 O ATOM 0 H GLU A 8 6.111 4.926 10.379 1.00 10.00 H new ATOM 0 HA GLU A 8 6.847 3.240 8.124 1.00 50.00 H new ATOM 0 HB2 GLU A 8 8.414 4.440 10.437 1.00 50.00 H new ATOM 0 HB3 GLU A 8 9.130 3.486 9.153 1.00 50.00 H new ATOM 0 HG2 GLU A 8 8.413 5.168 7.484 1.00 50.00 H new ATOM 0 HG3 GLU A 8 7.655 6.114 8.749 1.00 50.00 H new ATOM 136 N THR A 9 7.842 1.189 9.457 1.00 50.00 N ATOM 137 CA THR A 9 7.932 -0.138 10.052 1.00 10.00 C ATOM 138 C THR A 9 9.375 -0.491 10.390 1.00 10.00 C ATOM 139 O THR A 9 10.308 0.173 9.942 1.00 50.00 O ATOM 140 CB THR A 9 7.356 -1.216 9.118 1.00 50.00 C ATOM 141 OG1 THR A 9 8.213 -1.375 7.981 1.00 50.00 O ATOM 142 CG2 THR A 9 5.964 -0.824 8.647 1.00 50.00 C ATOM 0 H THR A 9 8.468 1.340 8.666 1.00 50.00 H new ATOM 0 HA THR A 9 7.342 -0.113 10.968 1.00 10.00 H new ATOM 0 HB THR A 9 7.292 -2.155 9.668 1.00 50.00 H new ATOM 0 HG1 THR A 9 7.972 -0.718 7.295 1.00 50.00 H new ATOM 0 HG21 THR A 9 5.572 -1.598 7.987 1.00 50.00 H new ATOM 0 HG22 THR A 9 5.306 -0.714 9.509 1.00 50.00 H new ATOM 0 HG23 THR A 9 6.015 0.121 8.107 1.00 50.00 H new ATOM 150 N PRO A 10 9.551 -1.543 11.183 1.00 50.00 N ATOM 151 CA PRO A 10 10.882 -2.000 11.564 1.00 50.00 C ATOM 152 C PRO A 10 11.744 -2.273 10.338 1.00 50.00 C ATOM 153 O PRO A 10 12.967 -2.142 10.386 1.00 50.00 O ATOM 154 CB PRO A 10 10.621 -3.271 12.379 1.00 50.00 C ATOM 155 CG PRO A 10 9.245 -3.088 12.925 1.00 50.00 C ATOM 156 CD PRO A 10 8.486 -2.354 11.851 1.00 50.00 C ATOM 0 HA PRO A 10 11.436 -1.256 12.136 1.00 50.00 H new ATOM 0 HB2 PRO A 10 10.685 -4.163 11.755 1.00 50.00 H new ATOM 0 HB3 PRO A 10 11.353 -3.387 13.178 1.00 50.00 H new ATOM 0 HG2 PRO A 10 8.780 -4.048 13.149 1.00 50.00 H new ATOM 0 HG3 PRO A 10 9.263 -2.518 13.854 1.00 50.00 H new ATOM 0 HD2 PRO A 10 8.005 -3.041 11.155 1.00 50.00 H new ATOM 0 HD3 PRO A 10 7.701 -1.724 12.270 1.00 50.00 H new ATOM 164 N ASN A 11 11.098 -2.655 9.242 1.00 50.00 N ATOM 165 CA ASN A 11 11.798 -2.893 7.984 1.00 50.00 C ATOM 166 C ASN A 11 11.711 -1.680 7.067 1.00 50.00 C ATOM 167 O ASN A 11 10.663 -1.042 6.962 1.00 50.00 O ATOM 168 CB ASN A 11 11.266 -4.125 7.277 1.00 50.00 C ATOM 169 CG ASN A 11 11.595 -5.414 7.976 1.00 50.00 C ATOM 170 OD1 ASN A 11 12.594 -5.515 8.700 1.00 75.00 O ATOM 171 ND2 ASN A 11 10.810 -6.424 7.701 1.00 50.00 N ATOM 0 H ASN A 11 10.090 -2.807 9.199 1.00 50.00 H new ATOM 0 HA ASN A 11 12.846 -3.067 8.227 1.00 50.00 H new ATOM 0 HB2 ASN A 11 10.183 -4.039 7.183 1.00 50.00 H new ATOM 0 HB3 ASN A 11 11.672 -4.156 6.266 1.00 50.00 H new ATOM 0 HD21 ASN A 11 11.010 -7.346 8.089 1.00 50.00 H new ATOM 0 HD22 ASN A 11 9.998 -6.290 7.098 1.00 50.00 H new ATOM 178 N HIS A 12 12.818 -1.366 6.403 1.00 50.00 N ATOM 179 CA HIS A 12 12.890 -0.190 5.546 1.00 50.00 C ATOM 180 C HIS A 12 12.376 -0.497 4.145 1.00 50.00 C ATOM 181 O HIS A 12 12.364 -1.651 3.717 1.00 50.00 O ATOM 182 CB HIS A 12 14.325 0.340 5.472 1.00 50.00 C ATOM 183 CG HIS A 12 14.438 1.683 4.818 1.00 50.00 C ATOM 184 ND1 HIS A 12 14.705 1.834 3.473 1.00 75.00 N ATOM 185 CD2 HIS A 12 14.321 2.932 5.323 1.00 50.00 C ATOM 186 CE1 HIS A 12 14.747 3.122 3.179 1.00 75.00 C ATOM 187 NE2 HIS A 12 14.518 3.809 4.283 1.00 75.00 N ATOM 0 H HIS A 12 13.679 -1.911 6.443 1.00 50.00 H new ATOM 0 HA HIS A 12 12.253 0.577 5.986 1.00 50.00 H new ATOM 0 HB2 HIS A 12 14.733 0.402 6.481 1.00 50.00 H new ATOM 0 HB3 HIS A 12 14.939 -0.374 4.923 1.00 50.00 H new ATOM 0 HD2 HIS A 12 14.112 3.192 6.350 1.00 50.00 H new ATOM 0 HE1 HIS A 12 14.936 3.541 2.202 1.00 75.00 H new ATOM 0 HE2 HIS A 12 14.492 4.826 4.353 1.00 75.00 H new ATOM 195 N ASN A 13 11.955 0.542 3.433 1.00 10.00 N ATOM 196 CA ASN A 13 11.419 0.382 2.086 1.00 10.00 C ATOM 197 C ASN A 13 10.021 -0.224 2.118 1.00 10.00 C ATOM 198 O ASN A 13 9.504 -0.666 1.094 1.00 50.00 O ATOM 199 CB ASN A 13 12.337 -0.458 1.220 1.00 50.00 C ATOM 200 CG ASN A 13 13.570 0.267 0.761 1.00 50.00 C ATOM 201 OD1 ASN A 13 13.555 1.486 0.550 1.00 50.00 O ATOM 202 ND2 ASN A 13 14.615 -0.485 0.527 1.00 50.00 N ATOM 0 H ASN A 13 11.974 1.506 3.767 1.00 10.00 H new ATOM 0 HA ASN A 13 11.353 1.377 1.645 1.00 10.00 H new ATOM 0 HB2 ASN A 13 12.635 -1.346 1.778 1.00 50.00 H new ATOM 0 HB3 ASN A 13 11.783 -0.802 0.347 1.00 50.00 H new ATOM 0 HD21 ASN A 13 15.469 -0.070 0.153 1.00 50.00 H new ATOM 0 HD22 ASN A 13 14.576 -1.486 0.718 1.00 50.00 H new ATOM 209 N THR A 14 9.416 -0.242 3.301 1.00 10.00 N ATOM 210 CA THR A 14 8.026 -0.654 3.445 1.00 10.00 C ATOM 211 C THR A 14 7.356 0.059 4.612 1.00 10.00 C ATOM 212 O THR A 14 7.954 0.229 5.674 1.00 50.00 O ATOM 213 CB THR A 14 7.906 -2.177 3.652 1.00 50.00 C ATOM 214 OG1 THR A 14 6.541 -2.518 3.925 1.00 50.00 O ATOM 215 CG2 THR A 14 8.780 -2.627 4.812 1.00 50.00 C ATOM 0 H THR A 14 9.868 0.025 4.175 1.00 10.00 H new ATOM 0 HA THR A 14 7.522 -0.380 2.518 1.00 10.00 H new ATOM 0 HB THR A 14 8.238 -2.680 2.744 1.00 50.00 H new ATOM 0 HG1 THR A 14 5.950 -1.984 3.354 1.00 50.00 H new ATOM 0 HG21 THR A 14 8.683 -3.705 4.944 1.00 50.00 H new ATOM 0 HG22 THR A 14 9.820 -2.379 4.601 1.00 50.00 H new ATOM 0 HG23 THR A 14 8.464 -2.120 5.724 1.00 50.00 H new ATOM 223 N MET A 15 6.112 0.477 4.407 1.00 10.00 N ATOM 224 CA MET A 15 5.396 1.268 5.402 1.00 10.00 C ATOM 225 C MET A 15 4.019 0.681 5.685 1.00 10.00 C ATOM 226 O MET A 15 3.481 -0.081 4.881 1.00 50.00 O ATOM 227 CB MET A 15 5.266 2.715 4.931 1.00 50.00 C ATOM 228 CG MET A 15 6.580 3.485 4.894 1.00 50.00 C ATOM 229 SD MET A 15 6.368 5.195 4.360 1.00 50.00 S ATOM 230 CE MET A 15 5.550 5.897 5.789 1.00 50.00 C ATOM 0 H MET A 15 5.578 0.281 3.560 1.00 10.00 H new ATOM 0 HA MET A 15 5.970 1.245 6.329 1.00 10.00 H new ATOM 0 HB2 MET A 15 4.827 2.722 3.933 1.00 50.00 H new ATOM 0 HB3 MET A 15 4.571 3.237 5.589 1.00 50.00 H new ATOM 0 HG2 MET A 15 7.033 3.471 5.885 1.00 50.00 H new ATOM 0 HG3 MET A 15 7.273 2.981 4.220 1.00 50.00 H new ATOM 0 HE1 MET A 15 4.683 6.473 5.465 1.00 50.00 H new ATOM 0 HE2 MET A 15 5.226 5.096 6.453 1.00 50.00 H new ATOM 0 HE3 MET A 15 6.242 6.550 6.320 1.00 50.00 H new ATOM 240 N LYS A 16 3.453 1.039 6.832 1.00 10.00 N ATOM 241 CA LYS A 16 2.193 0.460 7.278 1.00 10.00 C ATOM 242 C LYS A 16 1.059 1.474 7.189 1.00 10.00 C ATOM 243 O LYS A 16 1.185 2.604 7.659 1.00 50.00 O ATOM 244 CB LYS A 16 2.319 -0.061 8.711 1.00 50.00 C ATOM 245 CG LYS A 16 1.064 -0.735 9.247 1.00 50.00 C ATOM 246 CD LYS A 16 1.351 -1.494 10.534 1.00 50.00 C ATOM 247 CE LYS A 16 1.532 -0.544 11.709 1.00 50.00 C ATOM 248 NZ LYS A 16 1.879 -1.267 12.962 1.00 50.00 N ATOM 0 H LYS A 16 3.848 1.729 7.471 1.00 10.00 H new ATOM 0 HA LYS A 16 1.958 -0.374 6.617 1.00 10.00 H new ATOM 0 HB2 LYS A 16 3.145 -0.771 8.755 1.00 50.00 H new ATOM 0 HB3 LYS A 16 2.578 0.771 9.366 1.00 50.00 H new ATOM 0 HG2 LYS A 16 0.295 0.016 9.429 1.00 50.00 H new ATOM 0 HG3 LYS A 16 0.669 -1.421 8.498 1.00 50.00 H new ATOM 0 HD2 LYS A 16 0.532 -2.182 10.743 1.00 50.00 H new ATOM 0 HD3 LYS A 16 2.250 -2.097 10.410 1.00 50.00 H new ATOM 0 HE2 LYS A 16 2.317 0.175 11.476 1.00 50.00 H new ATOM 0 HE3 LYS A 16 0.614 0.024 11.861 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 1.993 -0.583 13.737 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 1.118 -1.935 13.199 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 2.768 -1.789 12.827 1.00 50.00 H new ATOM 262 N ILE A 17 -0.049 1.062 6.581 1.00 10.00 N ATOM 263 CA ILE A 17 -1.188 1.949 6.385 1.00 10.00 C ATOM 264 C ILE A 17 -2.391 1.490 7.197 1.00 10.00 C ATOM 265 O ILE A 17 -3.063 0.522 6.837 1.00 50.00 O ATOM 266 CB ILE A 17 -1.587 2.038 4.899 1.00 50.00 C ATOM 267 CG1 ILE A 17 -0.407 2.532 4.059 1.00 50.00 C ATOM 268 CG2 ILE A 17 -2.790 2.952 4.725 1.00 50.00 C ATOM 269 CD1 ILE A 17 -0.648 2.464 2.567 1.00 50.00 C ATOM 0 H ILE A 17 -0.181 0.119 6.216 1.00 10.00 H new ATOM 0 HA ILE A 17 -0.878 2.936 6.728 1.00 10.00 H new ATOM 0 HB ILE A 17 -1.862 1.042 4.553 1.00 50.00 H new ATOM 0 HG12 ILE A 17 -0.183 3.563 4.335 1.00 50.00 H new ATOM 0 HG13 ILE A 17 0.474 1.938 4.303 1.00 50.00 H new ATOM 0 HG21 ILE A 17 -3.058 3.003 3.670 1.00 50.00 H new ATOM 0 HG22 ILE A 17 -3.632 2.558 5.295 1.00 50.00 H new ATOM 0 HG23 ILE A 17 -2.543 3.951 5.086 1.00 50.00 H new ATOM 0 HD11 ILE A 17 0.232 2.831 2.039 1.00 50.00 H new ATOM 0 HD12 ILE A 17 -0.842 1.431 2.276 1.00 50.00 H new ATOM 0 HD13 ILE A 17 -1.509 3.081 2.309 1.00 50.00 H new ATOM 281 N THR A 18 -2.660 2.187 8.295 1.00 10.00 N ATOM 282 CA THR A 18 -3.788 1.856 9.156 1.00 10.00 C ATOM 283 C THR A 18 -5.098 2.371 8.569 1.00 10.00 C ATOM 284 O THR A 18 -5.231 3.555 8.266 1.00 50.00 O ATOM 285 CB THR A 18 -3.610 2.438 10.572 1.00 50.00 C ATOM 286 OG1 THR A 18 -2.430 1.887 11.171 1.00 50.00 O ATOM 287 CG2 THR A 18 -4.814 2.111 11.439 1.00 50.00 C ATOM 0 H THR A 18 -2.111 2.987 8.610 1.00 10.00 H new ATOM 0 HA THR A 18 -3.823 0.769 9.222 1.00 10.00 H new ATOM 0 HB THR A 18 -3.516 3.521 10.495 1.00 50.00 H new ATOM 0 HG1 THR A 18 -2.316 2.258 12.071 1.00 50.00 H new ATOM 0 HG21 THR A 18 -4.670 2.530 12.435 1.00 50.00 H new ATOM 0 HG22 THR A 18 -5.711 2.539 10.992 1.00 50.00 H new ATOM 0 HG23 THR A 18 -4.926 1.029 11.513 1.00 50.00 H new ATOM 295 N LEU A 19 -6.063 1.471 8.413 1.00 10.00 N ATOM 296 CA LEU A 19 -7.327 1.808 7.768 1.00 50.00 C ATOM 297 C LEU A 19 -8.484 1.737 8.757 1.00 10.00 C ATOM 298 O LEU A 19 -8.427 1.004 9.744 1.00 50.00 O ATOM 299 CB LEU A 19 -7.582 0.873 6.580 1.00 50.00 C ATOM 300 CG LEU A 19 -6.493 0.878 5.499 1.00 50.00 C ATOM 301 CD1 LEU A 19 -6.802 -0.171 4.441 1.00 50.00 C ATOM 302 CD2 LEU A 19 -6.405 2.263 4.874 1.00 50.00 C ATOM 0 H LEU A 19 -5.994 0.502 8.725 1.00 10.00 H new ATOM 0 HA LEU A 19 -7.259 2.833 7.403 1.00 50.00 H new ATOM 0 HB2 LEU A 19 -7.693 -0.144 6.956 1.00 50.00 H new ATOM 0 HB3 LEU A 19 -8.531 1.148 6.119 1.00 50.00 H new ATOM 0 HG LEU A 19 -5.531 0.634 5.951 1.00 50.00 H new ATOM 0 HD11 LEU A 19 -6.023 -0.159 3.679 1.00 50.00 H new ATOM 0 HD12 LEU A 19 -6.840 -1.156 4.906 1.00 50.00 H new ATOM 0 HD13 LEU A 19 -7.765 0.050 3.980 1.00 50.00 H new ATOM 0 HD21 LEU A 19 -5.632 2.267 4.106 1.00 50.00 H new ATOM 0 HD22 LEU A 19 -7.364 2.521 4.425 1.00 50.00 H new ATOM 0 HD23 LEU A 19 -6.156 2.994 5.643 1.00 50.00 H new ATOM 314 N SER A 20 -9.535 2.503 8.484 1.00 10.00 N ATOM 315 CA SER A 20 -10.741 2.469 9.303 1.00 10.00 C ATOM 316 C SER A 20 -11.541 1.197 9.054 1.00 50.00 C ATOM 317 O SER A 20 -11.906 0.489 9.991 1.00 50.00 O ATOM 318 CB SER A 20 -11.594 3.693 9.028 1.00 50.00 C ATOM 319 OG SER A 20 -12.775 3.691 9.781 1.00 50.00 O ATOM 0 H SER A 20 -9.576 3.156 7.701 1.00 10.00 H new ATOM 0 HA SER A 20 -10.440 2.475 10.351 1.00 10.00 H new ATOM 0 HB2 SER A 20 -11.021 4.592 9.255 1.00 50.00 H new ATOM 0 HB3 SER A 20 -11.841 3.732 7.967 1.00 50.00 H new ATOM 0 HG SER A 20 -13.295 4.496 9.576 1.00 50.00 H new ATOM 414 N THR A 27 -8.383 -11.091 6.960 1.00 50.00 N ATOM 415 CA THR A 27 -7.352 -12.115 6.851 1.00 50.00 C ATOM 416 C THR A 27 -6.199 -11.644 5.974 1.00 50.00 C ATOM 417 O THR A 27 -6.317 -10.651 5.257 1.00 50.00 O ATOM 418 CB THR A 27 -7.916 -13.429 6.280 1.00 50.00 C ATOM 419 OG1 THR A 27 -8.393 -13.207 4.947 1.00 50.00 O ATOM 420 CG2 THR A 27 -9.059 -13.939 7.145 1.00 75.00 C ATOM 0 HA THR A 27 -6.985 -12.299 7.861 1.00 50.00 H new ATOM 0 HB THR A 27 -7.121 -14.175 6.270 1.00 50.00 H new ATOM 0 HG1 THR A 27 -8.751 -12.297 4.875 1.00 50.00 H new ATOM 0 HG21 THR A 27 -9.445 -14.868 6.726 1.00 75.00 H new ATOM 0 HG22 THR A 27 -8.697 -14.120 8.157 1.00 75.00 H new ATOM 0 HG23 THR A 27 -9.855 -13.195 7.172 1.00 75.00 H new ATOM 428 N SER A 28 -5.085 -12.366 6.032 1.00 10.00 N ATOM 429 CA SER A 28 -3.885 -11.984 5.295 1.00 10.00 C ATOM 430 C SER A 28 -4.044 -12.262 3.806 1.00 10.00 C ATOM 431 O SER A 28 -4.804 -13.144 3.406 1.00 50.00 O ATOM 432 CB SER A 28 -2.679 -12.721 5.844 1.00 50.00 C ATOM 433 OG SER A 28 -2.752 -14.100 5.609 1.00 50.00 O ATOM 0 H SER A 28 -4.988 -13.220 6.582 1.00 10.00 H new ATOM 0 HA SER A 28 -3.734 -10.912 5.422 1.00 10.00 H new ATOM 0 HB2 SER A 28 -1.773 -12.323 5.387 1.00 50.00 H new ATOM 0 HB3 SER A 28 -2.601 -12.540 6.916 1.00 50.00 H new ATOM 0 HG SER A 28 -1.956 -14.537 5.977 1.00 50.00 H new ATOM 439 N ASP A 29 -3.321 -11.503 2.988 1.00 10.00 N ATOM 440 CA ASP A 29 -3.334 -11.706 1.544 1.00 10.00 C ATOM 441 C ASP A 29 -2.155 -11.005 0.880 1.00 10.00 C ATOM 442 O ASP A 29 -1.624 -10.028 1.406 1.00 50.00 O ATOM 443 CB ASP A 29 -4.651 -11.204 0.944 1.00 50.00 C ATOM 444 CG ASP A 29 -4.997 -11.814 -0.407 1.00 50.00 C ATOM 445 OD1 ASP A 29 -4.220 -12.597 -0.901 1.00 50.00 O ATOM 446 OD2 ASP A 29 -6.099 -11.618 -0.860 1.00 50.00 O ATOM 0 H ASP A 29 -2.719 -10.742 3.301 1.00 10.00 H new ATOM 0 HA ASP A 29 -3.245 -12.776 1.356 1.00 10.00 H new ATOM 0 HB2 ASP A 29 -5.460 -11.417 1.643 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -4.598 -10.120 0.837 1.00 50.00 H new ATOM 451 N THR A 30 -1.752 -11.510 -0.281 1.00 10.00 N ATOM 452 CA THR A 30 -0.590 -10.982 -0.983 1.00 10.00 C ATOM 453 C THR A 30 -0.979 -10.407 -2.339 1.00 10.00 C ATOM 454 O THR A 30 -1.623 -11.077 -3.146 1.00 50.00 O ATOM 455 CB THR A 30 0.488 -12.062 -1.186 1.00 50.00 C ATOM 456 OG1 THR A 30 0.922 -12.553 0.090 1.00 50.00 O ATOM 457 CG2 THR A 30 1.681 -11.491 -1.936 1.00 50.00 C ATOM 0 H THR A 30 -2.214 -12.285 -0.756 1.00 10.00 H new ATOM 0 HA THR A 30 -0.182 -10.188 -0.358 1.00 10.00 H new ATOM 0 HB THR A 30 0.059 -12.876 -1.771 1.00 50.00 H new ATOM 0 HG1 THR A 30 1.607 -13.242 -0.040 1.00 50.00 H new ATOM 0 HG21 THR A 30 2.433 -12.269 -2.070 1.00 50.00 H new ATOM 0 HG22 THR A 30 1.357 -11.127 -2.911 1.00 50.00 H new ATOM 0 HG23 THR A 30 2.109 -10.667 -1.365 1.00 50.00 H new ATOM 465 N TYR A 31 -0.586 -9.161 -2.584 1.00 10.00 N ATOM 466 CA TYR A 31 -0.956 -8.468 -3.812 1.00 10.00 C ATOM 467 C TYR A 31 0.275 -7.954 -4.546 1.00 10.00 C ATOM 468 O TYR A 31 0.892 -6.974 -4.132 1.00 50.00 O ATOM 469 CB TYR A 31 -1.909 -7.309 -3.506 1.00 50.00 C ATOM 470 CG TYR A 31 -3.194 -7.733 -2.829 1.00 50.00 C ATOM 471 CD1 TYR A 31 -4.106 -8.546 -3.484 1.00 50.00 C ATOM 472 CD2 TYR A 31 -3.490 -7.318 -1.538 1.00 50.00 C ATOM 473 CE1 TYR A 31 -5.281 -8.937 -2.870 1.00 50.00 C ATOM 474 CE2 TYR A 31 -4.661 -7.703 -0.917 1.00 50.00 C ATOM 475 CZ TYR A 31 -5.555 -8.514 -1.587 1.00 50.00 C ATOM 476 OH TYR A 31 -6.725 -8.899 -0.972 1.00 50.00 O ATOM 0 H TYR A 31 -0.010 -8.610 -1.947 1.00 10.00 H new ATOM 0 HA TYR A 31 -1.464 -9.183 -4.459 1.00 10.00 H new ATOM 0 HB2 TYR A 31 -1.396 -6.588 -2.870 1.00 50.00 H new ATOM 0 HB3 TYR A 31 -2.152 -6.796 -4.437 1.00 50.00 H new ATOM 0 HD1 TYR A 31 -3.895 -8.879 -4.490 1.00 50.00 H new ATOM 0 HD2 TYR A 31 -2.793 -6.684 -1.011 1.00 50.00 H new ATOM 0 HE1 TYR A 31 -5.981 -9.571 -3.393 1.00 50.00 H new ATOM 0 HE2 TYR A 31 -4.877 -7.371 0.088 1.00 50.00 H new ATOM 0 HH TYR A 31 -6.717 -9.869 -0.831 1.00 50.00 H new ATOM 486 N THR A 32 0.625 -8.619 -5.641 1.00 10.00 N ATOM 487 CA THR A 32 1.779 -8.224 -6.441 1.00 10.00 C ATOM 488 C THR A 32 1.370 -7.895 -7.872 1.00 10.00 C ATOM 489 O THR A 32 2.067 -7.164 -8.574 1.00 50.00 O ATOM 490 CB THR A 32 2.852 -9.327 -6.467 1.00 50.00 C ATOM 491 OG1 THR A 32 2.314 -10.512 -7.066 1.00 50.00 O ATOM 492 CG2 THR A 32 3.321 -9.647 -5.055 1.00 50.00 C ATOM 0 H THR A 32 0.126 -9.435 -5.996 1.00 10.00 H new ATOM 0 HA THR A 32 2.197 -7.334 -5.971 1.00 10.00 H new ATOM 0 HB THR A 32 3.700 -8.971 -7.051 1.00 50.00 H new ATOM 0 HG1 THR A 32 3.001 -11.211 -7.082 1.00 50.00 H new ATOM 0 HG21 THR A 32 4.080 -10.429 -5.092 1.00 50.00 H new ATOM 0 HG22 THR A 32 3.745 -8.751 -4.601 1.00 50.00 H new ATOM 0 HG23 THR A 32 2.475 -9.990 -4.460 1.00 50.00 H new ATOM 500 N LYS A 33 0.235 -8.440 -8.297 1.00 10.00 N ATOM 501 CA LYS A 33 -0.246 -8.244 -9.660 1.00 50.00 C ATOM 502 C LYS A 33 -1.571 -7.496 -9.675 1.00 50.00 C ATOM 503 O LYS A 33 -2.325 -7.528 -8.703 1.00 50.00 O ATOM 504 CB LYS A 33 -0.391 -9.590 -10.375 1.00 50.00 C ATOM 505 CG LYS A 33 0.922 -10.325 -10.608 1.00 50.00 C ATOM 506 CD LYS A 33 0.701 -11.628 -11.361 1.00 50.00 C ATOM 507 CE LYS A 33 2.015 -12.350 -11.617 1.00 75.00 C ATOM 508 NZ LYS A 33 1.816 -13.617 -12.374 1.00 75.00 N ATOM 0 H LYS A 33 -0.370 -9.021 -7.717 1.00 10.00 H new ATOM 0 HA LYS A 33 0.490 -7.640 -10.190 1.00 50.00 H new ATOM 0 HB2 LYS A 33 -1.052 -10.229 -9.789 1.00 50.00 H new ATOM 0 HB3 LYS A 33 -0.877 -9.426 -11.337 1.00 50.00 H new ATOM 0 HG2 LYS A 33 1.603 -9.688 -11.172 1.00 50.00 H new ATOM 0 HG3 LYS A 33 1.400 -10.533 -9.651 1.00 50.00 H new ATOM 0 HD2 LYS A 33 0.035 -12.273 -10.788 1.00 50.00 H new ATOM 0 HD3 LYS A 33 0.206 -11.422 -12.310 1.00 50.00 H new ATOM 0 HE2 LYS A 33 2.686 -11.696 -12.174 1.00 75.00 H new ATOM 0 HE3 LYS A 33 2.500 -12.568 -10.666 1.00 75.00 H new ATOM 0 HZ1 LYS A 33 2.736 -14.078 -12.527 1.00 75.00 H new ATOM 0 HZ2 LYS A 33 1.197 -14.252 -11.831 1.00 75.00 H new ATOM 0 HZ3 LYS A 33 1.376 -13.407 -13.293 1.00 75.00 H new ATOM 522 N VAL A 34 -1.852 -6.821 -10.785 1.00 50.00 N ATOM 523 CA VAL A 34 -3.103 -6.093 -10.944 1.00 50.00 C ATOM 524 C VAL A 34 -4.167 -6.961 -11.604 1.00 50.00 C ATOM 525 O VAL A 34 -3.954 -7.505 -12.688 1.00 50.00 O ATOM 526 CB VAL A 34 -2.911 -4.812 -11.777 1.00 50.00 C ATOM 527 CG1 VAL A 34 -4.247 -4.123 -12.012 1.00 50.00 C ATOM 528 CG2 VAL A 34 -1.942 -3.867 -11.084 1.00 50.00 C ATOM 0 H VAL A 34 -1.227 -6.764 -11.589 1.00 50.00 H new ATOM 0 HA VAL A 34 -3.434 -5.818 -9.943 1.00 50.00 H new ATOM 0 HB VAL A 34 -2.491 -5.090 -12.744 1.00 50.00 H new ATOM 0 HG11 VAL A 34 -4.092 -3.220 -12.602 1.00 50.00 H new ATOM 0 HG12 VAL A 34 -4.915 -4.797 -12.549 1.00 50.00 H new ATOM 0 HG13 VAL A 34 -4.693 -3.858 -11.054 1.00 50.00 H new ATOM 0 HG21 VAL A 34 -1.818 -2.967 -11.686 1.00 50.00 H new ATOM 0 HG22 VAL A 34 -2.336 -3.596 -10.104 1.00 50.00 H new ATOM 0 HG23 VAL A 34 -0.977 -4.359 -10.964 1.00 50.00 H new ATOM 538 N ASP A 35 -5.315 -7.086 -10.944 1.00 50.00 N ATOM 539 CA ASP A 35 -6.412 -7.893 -11.464 1.00 50.00 C ATOM 540 C ASP A 35 -7.687 -7.670 -10.662 1.00 50.00 C ATOM 541 O ASP A 35 -7.684 -6.961 -9.656 1.00 50.00 O ATOM 542 CB ASP A 35 -6.038 -9.378 -11.455 1.00 50.00 C ATOM 543 CG ASP A 35 -6.754 -10.213 -12.507 1.00 50.00 C ATOM 544 OD1 ASP A 35 -7.596 -9.680 -13.191 1.00 50.00 O ATOM 545 OD2 ASP A 35 -6.349 -11.329 -12.727 1.00 50.00 O ATOM 0 H ASP A 35 -5.509 -6.638 -10.048 1.00 50.00 H new ATOM 0 HA ASP A 35 -6.596 -7.581 -12.492 1.00 50.00 H new ATOM 0 HB2 ASP A 35 -4.962 -9.470 -11.606 1.00 50.00 H new ATOM 0 HB3 ASP A 35 -6.258 -9.790 -10.470 1.00 50.00 H new ATOM 550 N ASP A 36 -8.779 -8.279 -11.114 1.00 50.00 N ATOM 551 CA ASP A 36 -10.088 -8.045 -10.518 1.00 50.00 C ATOM 552 C ASP A 36 -10.143 -8.562 -9.086 1.00 50.00 C ATOM 553 O ASP A 36 -10.858 -8.016 -8.247 1.00 50.00 O ATOM 554 CB ASP A 36 -11.185 -8.705 -11.358 1.00 50.00 C ATOM 555 CG ASP A 36 -11.485 -7.994 -12.671 1.00 50.00 C ATOM 556 OD1 ASP A 36 -11.035 -6.886 -12.840 1.00 50.00 O ATOM 557 OD2 ASP A 36 -12.024 -8.621 -13.552 1.00 50.00 O ATOM 0 H ASP A 36 -8.782 -8.939 -11.892 1.00 50.00 H new ATOM 0 HA ASP A 36 -10.257 -6.968 -10.498 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -10.892 -9.732 -11.574 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -12.100 -8.752 -10.767 1.00 50.00 H new ATOM 562 N SER A 37 -9.384 -9.618 -8.816 1.00 50.00 N ATOM 563 CA SER A 37 -9.439 -10.289 -7.521 1.00 50.00 C ATOM 564 C SER A 37 -8.774 -9.449 -6.438 1.00 50.00 C ATOM 565 O SER A 37 -8.947 -9.705 -5.246 1.00 50.00 O ATOM 566 CB SER A 37 -8.781 -11.651 -7.611 1.00 50.00 C ATOM 567 OG SER A 37 -7.395 -11.556 -7.801 1.00 50.00 O ATOM 0 H SER A 37 -8.723 -10.028 -9.476 1.00 50.00 H new ATOM 0 HA SER A 37 -10.487 -10.418 -7.249 1.00 50.00 H new ATOM 0 HB2 SER A 37 -8.984 -12.212 -6.699 1.00 50.00 H new ATOM 0 HB3 SER A 37 -9.222 -12.212 -8.435 1.00 50.00 H new ATOM 0 HG SER A 37 -7.163 -10.641 -8.065 1.00 50.00 H new ATOM 573 N GLN A 38 -8.013 -8.445 -6.859 1.00 50.00 N ATOM 574 CA GLN A 38 -7.437 -7.477 -5.931 1.00 50.00 C ATOM 575 C GLN A 38 -8.373 -6.296 -5.714 1.00 50.00 C ATOM 576 O GLN A 38 -9.082 -5.879 -6.630 1.00 50.00 O ATOM 577 CB GLN A 38 -6.086 -6.979 -6.448 1.00 50.00 C ATOM 578 CG GLN A 38 -5.042 -8.070 -6.618 1.00 50.00 C ATOM 579 CD GLN A 38 -5.242 -8.866 -7.894 1.00 50.00 C ATOM 580 OE1 GLN A 38 -6.373 -9.081 -8.338 1.00 75.00 O ATOM 581 NE2 GLN A 38 -4.142 -9.315 -8.489 1.00 50.00 N ATOM 0 H GLN A 38 -7.780 -8.279 -7.838 1.00 50.00 H new ATOM 0 HA GLN A 38 -7.292 -7.981 -4.975 1.00 50.00 H new ATOM 0 HB2 GLN A 38 -6.237 -6.484 -7.407 1.00 50.00 H new ATOM 0 HB3 GLN A 38 -5.701 -6.228 -5.759 1.00 50.00 H new ATOM 0 HG2 GLN A 38 -4.049 -7.621 -6.625 1.00 50.00 H new ATOM 0 HG3 GLN A 38 -5.082 -8.744 -5.762 1.00 50.00 H new ATOM 0 HE21 GLN A 38 -3.226 -9.114 -8.087 1.00 50.00 H new ATOM 0 HE22 GLN A 38 -4.213 -9.861 -9.348 1.00 50.00 H new ATOM 590 N PRO A 39 -8.371 -5.761 -4.499 1.00 50.00 N ATOM 591 CA PRO A 39 -9.127 -4.553 -4.192 1.00 50.00 C ATOM 592 C PRO A 39 -8.818 -3.442 -5.189 1.00 50.00 C ATOM 593 O PRO A 39 -7.663 -3.224 -5.551 1.00 50.00 O ATOM 594 CB PRO A 39 -8.690 -4.188 -2.769 1.00 50.00 C ATOM 595 CG PRO A 39 -8.247 -5.480 -2.176 1.00 50.00 C ATOM 596 CD PRO A 39 -7.627 -6.250 -3.311 1.00 50.00 C ATOM 0 HA PRO A 39 -10.205 -4.701 -4.260 1.00 50.00 H new ATOM 0 HB2 PRO A 39 -7.882 -3.456 -2.777 1.00 50.00 H new ATOM 0 HB3 PRO A 39 -9.511 -3.751 -2.201 1.00 50.00 H new ATOM 0 HG2 PRO A 39 -7.528 -5.318 -1.373 1.00 50.00 H new ATOM 0 HG3 PRO A 39 -9.088 -6.024 -1.746 1.00 50.00 H new ATOM 0 HD2 PRO A 39 -6.558 -6.052 -3.396 1.00 50.00 H new ATOM 0 HD3 PRO A 39 -7.742 -7.326 -3.178 1.00 50.00 H new ATOM 604 N ALA A 40 -9.858 -2.742 -5.628 1.00 50.00 N ATOM 605 CA ALA A 40 -9.694 -1.611 -6.534 1.00 50.00 C ATOM 606 C ALA A 40 -8.543 -0.717 -6.095 1.00 50.00 C ATOM 607 O ALA A 40 -7.624 -0.446 -6.868 1.00 50.00 O ATOM 608 CB ALA A 40 -10.985 -0.813 -6.624 1.00 50.00 C ATOM 0 H ALA A 40 -10.825 -2.938 -5.371 1.00 50.00 H new ATOM 0 HA ALA A 40 -9.455 -2.002 -7.523 1.00 50.00 H new ATOM 0 HB1 ALA A 40 -10.846 0.028 -7.304 1.00 50.00 H new ATOM 0 HB2 ALA A 40 -11.784 -1.454 -6.997 1.00 50.00 H new ATOM 0 HB3 ALA A 40 -11.252 -0.440 -5.635 1.00 50.00 H new ATOM 614 N PHE A 41 -8.597 -0.261 -4.847 1.00 50.00 N ATOM 615 CA PHE A 41 -7.541 0.576 -4.291 1.00 50.00 C ATOM 616 C PHE A 41 -6.176 -0.083 -4.447 1.00 50.00 C ATOM 617 O PHE A 41 -5.208 0.561 -4.851 1.00 50.00 O ATOM 618 CB PHE A 41 -7.816 0.873 -2.816 1.00 50.00 C ATOM 619 CG PHE A 41 -8.891 1.899 -2.595 1.00 50.00 C ATOM 620 CD1 PHE A 41 -9.566 2.460 -3.670 1.00 75.00 C ATOM 621 CD2 PHE A 41 -9.230 2.306 -1.315 1.00 75.00 C ATOM 622 CE1 PHE A 41 -10.556 3.405 -3.468 1.00 75.00 C ATOM 623 CE2 PHE A 41 -10.219 3.249 -1.110 1.00 75.00 C ATOM 624 CZ PHE A 41 -10.882 3.798 -2.189 1.00 75.00 C ATOM 0 H PHE A 41 -9.362 -0.458 -4.202 1.00 50.00 H new ATOM 0 HA PHE A 41 -7.531 1.514 -4.846 1.00 50.00 H new ATOM 0 HB2 PHE A 41 -8.101 -0.052 -2.316 1.00 50.00 H new ATOM 0 HB3 PHE A 41 -6.895 1.218 -2.347 1.00 50.00 H new ATOM 0 HD1 PHE A 41 -9.316 2.155 -4.675 1.00 75.00 H new ATOM 0 HD2 PHE A 41 -8.715 1.881 -0.466 1.00 75.00 H new ATOM 0 HE1 PHE A 41 -11.073 3.834 -4.313 1.00 75.00 H new ATOM 0 HE2 PHE A 41 -10.473 3.556 -0.106 1.00 75.00 H new ATOM 0 HZ PHE A 41 -11.655 4.535 -2.030 1.00 75.00 H new ATOM 634 N ILE A 42 -6.105 -1.368 -4.124 1.00 50.00 N ATOM 635 CA ILE A 42 -4.861 -2.118 -4.233 1.00 50.00 C ATOM 636 C ILE A 42 -4.314 -2.076 -5.654 1.00 10.00 C ATOM 637 O ILE A 42 -3.105 -1.966 -5.861 1.00 50.00 O ATOM 638 CB ILE A 42 -5.046 -3.588 -3.809 1.00 50.00 C ATOM 639 CG1 ILE A 42 -5.254 -3.684 -2.295 1.00 50.00 C ATOM 640 CG2 ILE A 42 -3.849 -4.421 -4.238 1.00 50.00 C ATOM 641 CD1 ILE A 42 -4.051 -3.261 -1.485 1.00 50.00 C ATOM 0 H ILE A 42 -6.897 -1.914 -3.784 1.00 50.00 H new ATOM 0 HA ILE A 42 -4.149 -1.642 -3.558 1.00 50.00 H new ATOM 0 HB ILE A 42 -5.933 -3.982 -4.305 1.00 50.00 H new ATOM 0 HG12 ILE A 42 -6.105 -3.063 -2.015 1.00 50.00 H new ATOM 0 HG13 ILE A 42 -5.510 -4.712 -2.038 1.00 50.00 H new ATOM 0 HG21 ILE A 42 -3.997 -5.456 -3.930 1.00 50.00 H new ATOM 0 HG22 ILE A 42 -3.744 -4.376 -5.322 1.00 50.00 H new ATOM 0 HG23 ILE A 42 -2.946 -4.029 -3.770 1.00 50.00 H new ATOM 0 HD11 ILE A 42 -4.276 -3.357 -0.423 1.00 50.00 H new ATOM 0 HD12 ILE A 42 -3.202 -3.897 -1.735 1.00 50.00 H new ATOM 0 HD13 ILE A 42 -3.806 -2.223 -1.712 1.00 50.00 H new ATOM 653 N ASN A 43 -5.211 -2.163 -6.629 1.00 10.00 N ATOM 654 CA ASN A 43 -4.824 -2.095 -8.034 1.00 10.00 C ATOM 655 C ASN A 43 -4.190 -0.750 -8.365 1.00 10.00 C ATOM 656 O ASN A 43 -3.151 -0.686 -9.023 1.00 50.00 O ATOM 657 CB ASN A 43 -6.005 -2.357 -8.949 1.00 50.00 C ATOM 658 CG ASN A 43 -6.408 -3.805 -9.017 1.00 50.00 C ATOM 659 OD1 ASN A 43 -5.589 -4.707 -8.808 1.00 50.00 O ATOM 660 ND2 ASN A 43 -7.642 -4.030 -9.389 1.00 50.00 N ATOM 0 H ASN A 43 -6.212 -2.281 -6.473 1.00 10.00 H new ATOM 0 HA ASN A 43 -4.084 -2.877 -8.202 1.00 10.00 H new ATOM 0 HB2 ASN A 43 -6.856 -1.768 -8.607 1.00 50.00 H new ATOM 0 HB3 ASN A 43 -5.760 -2.010 -9.953 1.00 50.00 H new ATOM 0 HD21 ASN A 43 -7.969 -4.987 -9.520 1.00 50.00 H new ATOM 0 HD22 ASN A 43 -8.277 -3.248 -9.548 1.00 50.00 H new ATOM 667 N ASP A 44 -4.823 0.324 -7.907 1.00 10.00 N ATOM 668 CA ASP A 44 -4.269 1.664 -8.064 1.00 10.00 C ATOM 669 C ASP A 44 -2.878 1.760 -7.448 1.00 10.00 C ATOM 670 O ASP A 44 -1.945 2.263 -8.074 1.00 50.00 O ATOM 671 CB ASP A 44 -5.196 2.706 -7.432 1.00 50.00 C ATOM 672 CG ASP A 44 -6.474 2.969 -8.218 1.00 50.00 C ATOM 673 OD1 ASP A 44 -6.554 2.541 -9.345 1.00 50.00 O ATOM 674 OD2 ASP A 44 -7.415 3.455 -7.638 1.00 50.00 O ATOM 0 H ASP A 44 -5.721 0.293 -7.424 1.00 10.00 H new ATOM 0 HA ASP A 44 -4.185 1.866 -9.132 1.00 10.00 H new ATOM 0 HB2 ASP A 44 -5.463 2.376 -6.428 1.00 50.00 H new ATOM 0 HB3 ASP A 44 -4.650 3.643 -7.325 1.00 50.00 H new ATOM 679 N ILE A 45 -2.747 1.276 -6.219 1.00 10.00 N ATOM 680 CA ILE A 45 -1.490 1.373 -5.487 1.00 10.00 C ATOM 681 C ILE A 45 -0.373 0.628 -6.208 1.00 10.00 C ATOM 682 O ILE A 45 0.758 1.107 -6.283 1.00 50.00 O ATOM 683 CB ILE A 45 -1.623 0.819 -4.056 1.00 50.00 C ATOM 684 CG1 ILE A 45 -2.590 1.679 -3.238 1.00 50.00 C ATOM 685 CG2 ILE A 45 -0.261 0.754 -3.382 1.00 50.00 C ATOM 686 CD1 ILE A 45 -2.999 1.056 -1.923 1.00 50.00 C ATOM 0 H ILE A 45 -3.497 0.812 -5.707 1.00 10.00 H new ATOM 0 HA ILE A 45 -1.240 2.433 -5.434 1.00 10.00 H new ATOM 0 HB ILE A 45 -2.026 -0.192 -4.112 1.00 50.00 H new ATOM 0 HG12 ILE A 45 -2.125 2.645 -3.042 1.00 50.00 H new ATOM 0 HG13 ILE A 45 -3.484 1.870 -3.832 1.00 50.00 H new ATOM 0 HG21 ILE A 45 -0.373 0.360 -2.372 1.00 50.00 H new ATOM 0 HG22 ILE A 45 0.398 0.101 -3.955 1.00 50.00 H new ATOM 0 HG23 ILE A 45 0.170 1.754 -3.336 1.00 50.00 H new ATOM 0 HD11 ILE A 45 -3.684 1.724 -1.401 1.00 50.00 H new ATOM 0 HD12 ILE A 45 -3.494 0.103 -2.110 1.00 50.00 H new ATOM 0 HD13 ILE A 45 -2.114 0.891 -1.308 1.00 50.00 H new ATOM 698 N LEU A 46 -0.699 -0.546 -6.738 1.00 10.00 N ATOM 699 CA LEU A 46 0.248 -1.316 -7.536 1.00 10.00 C ATOM 700 C LEU A 46 0.751 -0.506 -8.725 1.00 10.00 C ATOM 701 O LEU A 46 1.927 -0.573 -9.080 1.00 50.00 O ATOM 702 CB LEU A 46 -0.401 -2.620 -8.014 1.00 50.00 C ATOM 703 CG LEU A 46 -0.623 -3.677 -6.925 1.00 50.00 C ATOM 704 CD1 LEU A 46 -1.490 -4.808 -7.464 1.00 50.00 C ATOM 705 CD2 LEU A 46 0.721 -4.207 -6.449 1.00 50.00 C ATOM 0 H LEU A 46 -1.613 -0.985 -6.629 1.00 10.00 H new ATOM 0 HA LEU A 46 1.105 -1.557 -6.907 1.00 10.00 H new ATOM 0 HB2 LEU A 46 -1.363 -2.383 -8.469 1.00 50.00 H new ATOM 0 HB3 LEU A 46 0.223 -3.053 -8.796 1.00 50.00 H new ATOM 0 HG LEU A 46 -1.140 -3.225 -6.079 1.00 50.00 H new ATOM 0 HD11 LEU A 46 -1.642 -5.554 -6.684 1.00 50.00 H new ATOM 0 HD12 LEU A 46 -2.455 -4.409 -7.778 1.00 50.00 H new ATOM 0 HD13 LEU A 46 -0.994 -5.272 -8.317 1.00 50.00 H new ATOM 0 HD21 LEU A 46 0.563 -4.958 -5.675 1.00 50.00 H new ATOM 0 HD22 LEU A 46 1.253 -4.657 -7.288 1.00 50.00 H new ATOM 0 HD23 LEU A 46 1.312 -3.387 -6.043 1.00 50.00 H new ATOM 717 N LYS A 47 -0.147 0.258 -9.336 1.00 10.00 N ATOM 718 CA LYS A 47 0.185 1.027 -10.529 1.00 10.00 C ATOM 719 C LYS A 47 1.000 2.266 -10.176 1.00 10.00 C ATOM 720 O LYS A 47 1.672 2.841 -11.031 1.00 50.00 O ATOM 721 CB LYS A 47 -1.085 1.430 -11.279 1.00 50.00 C ATOM 722 CG LYS A 47 -1.813 0.272 -11.949 1.00 50.00 C ATOM 723 CD LYS A 47 -3.039 0.756 -12.710 1.00 50.00 C ATOM 724 CE LYS A 47 -3.774 -0.400 -13.369 1.00 50.00 C ATOM 725 NZ LYS A 47 -4.961 0.060 -14.140 1.00 50.00 N ATOM 0 H LYS A 47 -1.113 0.361 -9.024 1.00 10.00 H new ATOM 0 HA LYS A 47 0.791 0.392 -11.176 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -1.766 1.916 -10.581 1.00 50.00 H new ATOM 0 HB3 LYS A 47 -0.826 2.168 -12.038 1.00 50.00 H new ATOM 0 HG2 LYS A 47 -1.136 -0.239 -12.633 1.00 50.00 H new ATOM 0 HG3 LYS A 47 -2.114 -0.456 -11.196 1.00 50.00 H new ATOM 0 HD2 LYS A 47 -3.712 1.275 -12.027 1.00 50.00 H new ATOM 0 HD3 LYS A 47 -2.737 1.477 -13.469 1.00 50.00 H new ATOM 0 HE2 LYS A 47 -3.093 -0.930 -14.035 1.00 50.00 H new ATOM 0 HE3 LYS A 47 -4.091 -1.110 -12.605 1.00 50.00 H new ATOM 0 HZ1 LYS A 47 -5.433 -0.760 -14.573 1.00 50.00 H new ATOM 0 HZ2 LYS A 47 -5.624 0.544 -13.501 1.00 50.00 H new ATOM 0 HZ3 LYS A 47 -4.657 0.718 -14.886 1.00 50.00 H new ATOM 739 N VAL A 48 0.935 2.671 -8.912 1.00 10.00 N ATOM 740 CA VAL A 48 1.737 3.784 -8.422 1.00 10.00 C ATOM 741 C VAL A 48 3.223 3.521 -8.622 1.00 10.00 C ATOM 742 O VAL A 48 3.753 2.512 -8.155 1.00 50.00 O ATOM 743 CB VAL A 48 1.470 4.060 -6.930 1.00 50.00 C ATOM 744 CG1 VAL A 48 2.459 5.082 -6.392 1.00 50.00 C ATOM 745 CG2 VAL A 48 0.043 4.544 -6.726 1.00 50.00 C ATOM 0 H VAL A 48 0.334 2.243 -8.208 1.00 10.00 H new ATOM 0 HA VAL A 48 1.445 4.660 -9.001 1.00 10.00 H new ATOM 0 HB VAL A 48 1.602 3.129 -6.379 1.00 50.00 H new ATOM 0 HG11 VAL A 48 2.256 5.265 -5.337 1.00 50.00 H new ATOM 0 HG12 VAL A 48 3.474 4.701 -6.505 1.00 50.00 H new ATOM 0 HG13 VAL A 48 2.358 6.014 -6.948 1.00 50.00 H new ATOM 0 HG21 VAL A 48 -0.129 4.734 -5.667 1.00 50.00 H new ATOM 0 HG22 VAL A 48 -0.113 5.464 -7.290 1.00 50.00 H new ATOM 0 HG23 VAL A 48 -0.653 3.782 -7.075 1.00 50.00 H new ATOM 755 N GLU A 49 3.893 4.434 -9.316 1.00 10.00 N ATOM 756 CA GLU A 49 5.312 4.280 -9.615 1.00 10.00 C ATOM 757 C GLU A 49 6.137 4.192 -8.337 1.00 10.00 C ATOM 758 O GLU A 49 6.067 5.072 -7.479 1.00 50.00 O ATOM 759 CB GLU A 49 5.806 5.442 -10.481 1.00 50.00 C ATOM 760 CG GLU A 49 7.247 5.309 -10.949 1.00 50.00 C ATOM 761 CD GLU A 49 7.640 6.451 -11.844 1.00 50.00 C ATOM 762 OE1 GLU A 49 6.798 7.264 -12.142 1.00 50.00 O ATOM 763 OE2 GLU A 49 8.805 6.574 -12.142 1.00 50.00 O ATOM 0 H GLU A 49 3.476 5.290 -9.683 1.00 10.00 H new ATOM 0 HA GLU A 49 5.438 3.349 -10.167 1.00 10.00 H new ATOM 0 HB2 GLU A 49 5.160 5.528 -11.354 1.00 50.00 H new ATOM 0 HB3 GLU A 49 5.704 6.369 -9.916 1.00 50.00 H new ATOM 0 HG2 GLU A 49 7.910 5.277 -10.085 1.00 50.00 H new ATOM 0 HG3 GLU A 49 7.373 4.367 -11.482 1.00 50.00 H new ATOM 770 N GLY A 50 6.920 3.125 -8.218 1.00 10.00 N ATOM 771 CA GLY A 50 7.810 2.952 -7.075 1.00 10.00 C ATOM 772 C GLY A 50 7.376 1.774 -6.213 1.00 10.00 C ATOM 773 O GLY A 50 8.195 1.156 -5.531 1.00 50.00 O ATOM 0 H GLY A 50 6.957 2.367 -8.899 1.00 10.00 H new ATOM 0 HA2 GLY A 50 8.830 2.793 -7.426 1.00 10.00 H new ATOM 0 HA3 GLY A 50 7.817 3.862 -6.475 1.00 10.00 H new ATOM 777 N VAL A 51 6.084 1.465 -6.248 1.00 10.00 N ATOM 778 CA VAL A 51 5.534 0.378 -5.447 1.00 10.00 C ATOM 779 C VAL A 51 5.918 -0.977 -6.025 1.00 10.00 C ATOM 780 O VAL A 51 5.680 -1.253 -7.201 1.00 50.00 O ATOM 781 CB VAL A 51 3.999 0.468 -5.350 1.00 50.00 C ATOM 782 CG1 VAL A 51 3.442 -0.733 -4.600 1.00 50.00 C ATOM 783 CG2 VAL A 51 3.584 1.761 -4.666 1.00 50.00 C ATOM 0 H VAL A 51 5.398 1.953 -6.823 1.00 10.00 H new ATOM 0 HA VAL A 51 5.957 0.477 -4.447 1.00 10.00 H new ATOM 0 HB VAL A 51 3.589 0.465 -6.360 1.00 50.00 H new ATOM 0 HG11 VAL A 51 2.357 -0.653 -4.541 1.00 50.00 H new ATOM 0 HG12 VAL A 51 3.710 -1.648 -5.128 1.00 50.00 H new ATOM 0 HG13 VAL A 51 3.859 -0.759 -3.593 1.00 50.00 H new ATOM 0 HG21 VAL A 51 2.497 1.808 -4.606 1.00 50.00 H new ATOM 0 HG22 VAL A 51 4.005 1.792 -3.661 1.00 50.00 H new ATOM 0 HG23 VAL A 51 3.953 2.611 -5.240 1.00 50.00 H new ATOM 793 N LYS A 52 6.514 -1.823 -5.192 1.00 10.00 N ATOM 794 CA LYS A 52 6.977 -3.133 -5.630 1.00 10.00 C ATOM 795 C LYS A 52 5.937 -4.209 -5.347 1.00 10.00 C ATOM 796 O LYS A 52 5.483 -4.902 -6.257 1.00 50.00 O ATOM 797 CB LYS A 52 8.300 -3.490 -4.949 1.00 50.00 C ATOM 798 CG LYS A 52 8.880 -4.835 -5.365 1.00 50.00 C ATOM 799 CD LYS A 52 10.194 -5.114 -4.656 1.00 50.00 C ATOM 800 CE LYS A 52 10.789 -6.447 -5.091 1.00 50.00 C ATOM 801 NZ LYS A 52 12.107 -6.705 -4.452 1.00 50.00 N ATOM 0 H LYS A 52 6.688 -1.623 -4.207 1.00 10.00 H new ATOM 0 HA LYS A 52 7.134 -3.086 -6.708 1.00 10.00 H new ATOM 0 HB2 LYS A 52 9.029 -2.710 -5.169 1.00 50.00 H new ATOM 0 HB3 LYS A 52 8.150 -3.491 -3.869 1.00 50.00 H new ATOM 0 HG2 LYS A 52 8.166 -5.627 -5.137 1.00 50.00 H new ATOM 0 HG3 LYS A 52 9.037 -4.848 -6.444 1.00 50.00 H new ATOM 0 HD2 LYS A 52 10.901 -4.312 -4.868 1.00 50.00 H new ATOM 0 HD3 LYS A 52 10.033 -5.120 -3.578 1.00 50.00 H new ATOM 0 HE2 LYS A 52 10.099 -7.252 -4.837 1.00 50.00 H new ATOM 0 HE3 LYS A 52 10.904 -6.456 -6.175 1.00 50.00 H new ATOM 0 HZ1 LYS A 52 12.476 -7.622 -4.775 1.00 50.00 H new ATOM 0 HZ2 LYS A 52 12.774 -5.951 -4.715 1.00 50.00 H new ATOM 0 HZ3 LYS A 52 11.994 -6.722 -3.418 1.00 50.00 H new ATOM 815 N SER A 53 5.561 -4.342 -4.080 1.00 10.00 N ATOM 816 CA SER A 53 4.616 -5.373 -3.665 1.00 10.00 C ATOM 817 C SER A 53 3.773 -4.903 -2.485 1.00 10.00 C ATOM 818 O SER A 53 4.195 -4.046 -1.710 1.00 50.00 O ATOM 819 CB SER A 53 5.355 -6.648 -3.311 1.00 50.00 C ATOM 820 OG SER A 53 6.177 -6.487 -2.188 1.00 50.00 O ATOM 0 H SER A 53 5.896 -3.748 -3.321 1.00 10.00 H new ATOM 0 HA SER A 53 3.944 -5.574 -4.499 1.00 10.00 H new ATOM 0 HB2 SER A 53 4.634 -7.443 -3.121 1.00 50.00 H new ATOM 0 HB3 SER A 53 5.961 -6.963 -4.161 1.00 50.00 H new ATOM 0 HG SER A 53 6.633 -7.332 -1.993 1.00 50.00 H new ATOM 826 N ILE A 54 2.578 -5.470 -2.357 1.00 10.00 N ATOM 827 CA ILE A 54 1.682 -5.125 -1.262 1.00 10.00 C ATOM 828 C ILE A 54 1.298 -6.358 -0.452 1.00 10.00 C ATOM 829 O ILE A 54 1.035 -7.422 -1.012 1.00 50.00 O ATOM 830 CB ILE A 54 0.400 -4.441 -1.774 1.00 50.00 C ATOM 831 CG1 ILE A 54 0.751 -3.212 -2.616 1.00 50.00 C ATOM 832 CG2 ILE A 54 -0.498 -4.053 -0.609 1.00 50.00 C ATOM 833 CD1 ILE A 54 -0.415 -2.655 -3.400 1.00 50.00 C ATOM 0 H ILE A 54 2.208 -6.171 -2.999 1.00 10.00 H new ATOM 0 HA ILE A 54 2.224 -4.429 -0.622 1.00 10.00 H new ATOM 0 HB ILE A 54 -0.142 -5.147 -2.404 1.00 50.00 H new ATOM 0 HG12 ILE A 54 1.141 -2.433 -1.960 1.00 50.00 H new ATOM 0 HG13 ILE A 54 1.550 -3.474 -3.309 1.00 50.00 H new ATOM 0 HG21 ILE A 54 -1.399 -3.571 -0.989 1.00 50.00 H new ATOM 0 HG22 ILE A 54 -0.773 -4.946 -0.048 1.00 50.00 H new ATOM 0 HG23 ILE A 54 0.034 -3.363 0.046 1.00 50.00 H new ATOM 0 HD11 ILE A 54 -0.088 -1.786 -3.971 1.00 50.00 H new ATOM 0 HD12 ILE A 54 -0.792 -3.417 -4.082 1.00 50.00 H new ATOM 0 HD13 ILE A 54 -1.208 -2.360 -2.713 1.00 50.00 H new ATOM 845 N PHE A 55 1.270 -6.208 0.867 1.00 10.00 N ATOM 846 CA PHE A 55 0.761 -7.254 1.746 1.00 10.00 C ATOM 847 C PHE A 55 -0.348 -6.726 2.647 1.00 10.00 C ATOM 848 O PHE A 55 -0.179 -5.715 3.327 1.00 50.00 O ATOM 849 CB PHE A 55 1.894 -7.839 2.591 1.00 50.00 C ATOM 850 CG PHE A 55 1.442 -8.888 3.568 1.00 50.00 C ATOM 851 CD1 PHE A 55 1.067 -10.148 3.128 1.00 50.00 C ATOM 852 CD2 PHE A 55 1.390 -8.616 4.926 1.00 50.00 C ATOM 853 CE1 PHE A 55 0.651 -11.114 4.024 1.00 50.00 C ATOM 854 CE2 PHE A 55 0.977 -9.580 5.825 1.00 50.00 C ATOM 855 CZ PHE A 55 0.606 -10.831 5.373 1.00 50.00 C ATOM 0 H PHE A 55 1.594 -5.371 1.352 1.00 10.00 H new ATOM 0 HA PHE A 55 0.343 -8.042 1.120 1.00 10.00 H new ATOM 0 HB2 PHE A 55 2.643 -8.272 1.928 1.00 50.00 H new ATOM 0 HB3 PHE A 55 2.381 -7.032 3.138 1.00 50.00 H new ATOM 0 HD1 PHE A 55 1.100 -10.377 2.073 1.00 50.00 H new ATOM 0 HD2 PHE A 55 1.676 -7.639 5.286 1.00 50.00 H new ATOM 0 HE1 PHE A 55 0.361 -12.091 3.668 1.00 50.00 H new ATOM 0 HE2 PHE A 55 0.944 -9.355 6.881 1.00 50.00 H new ATOM 0 HZ PHE A 55 0.281 -11.586 6.074 1.00 50.00 H new ATOM 865 N HIS A 56 -1.483 -7.418 2.646 1.00 10.00 N ATOM 866 CA HIS A 56 -2.604 -7.047 3.501 1.00 10.00 C ATOM 867 C HIS A 56 -2.754 -8.018 4.666 1.00 10.00 C ATOM 868 O HIS A 56 -2.565 -9.225 4.509 1.00 50.00 O ATOM 869 CB HIS A 56 -3.906 -6.996 2.693 1.00 50.00 C ATOM 870 CG HIS A 56 -5.110 -6.655 3.515 1.00 50.00 C ATOM 871 ND1 HIS A 56 -5.829 -7.605 4.209 1.00 50.00 N ATOM 872 CD2 HIS A 56 -5.723 -5.472 3.750 1.00 50.00 C ATOM 873 CE1 HIS A 56 -6.832 -7.020 4.839 1.00 50.00 C ATOM 874 NE2 HIS A 56 -6.790 -5.726 4.576 1.00 50.00 N ATOM 0 H HIS A 56 -1.650 -8.238 2.063 1.00 10.00 H new ATOM 0 HA HIS A 56 -2.398 -6.056 3.904 1.00 10.00 H new ATOM 0 HB2 HIS A 56 -3.800 -6.260 1.896 1.00 50.00 H new ATOM 0 HB3 HIS A 56 -4.065 -7.963 2.215 1.00 50.00 H new ATOM 0 HD2 HIS A 56 -5.428 -4.509 3.361 1.00 50.00 H new ATOM 0 HE1 HIS A 56 -7.562 -7.515 5.463 1.00 50.00 H new ATOM 0 HE2 HIS A 56 -7.445 -5.028 4.930 1.00 50.00 H new ATOM 882 N VAL A 57 -3.095 -7.484 5.833 1.00 10.00 N ATOM 883 CA VAL A 57 -3.422 -8.313 6.988 1.00 10.00 C ATOM 884 C VAL A 57 -4.189 -7.519 8.037 1.00 10.00 C ATOM 885 O VAL A 57 -3.945 -6.327 8.228 1.00 50.00 O ATOM 886 CB VAL A 57 -2.155 -8.907 7.633 1.00 50.00 C ATOM 887 CG1 VAL A 57 -1.329 -7.813 8.292 1.00 50.00 C ATOM 888 CG2 VAL A 57 -2.526 -9.977 8.649 1.00 50.00 C ATOM 0 H VAL A 57 -3.152 -6.480 6.005 1.00 10.00 H new ATOM 0 HA VAL A 57 -4.049 -9.127 6.623 1.00 10.00 H new ATOM 0 HB VAL A 57 -1.554 -9.368 6.849 1.00 50.00 H new ATOM 0 HG11 VAL A 57 -0.438 -8.251 8.742 1.00 50.00 H new ATOM 0 HG12 VAL A 57 -1.033 -7.079 7.542 1.00 50.00 H new ATOM 0 HG13 VAL A 57 -1.923 -7.324 9.064 1.00 50.00 H new ATOM 0 HG21 VAL A 57 -1.619 -10.386 9.095 1.00 50.00 H new ATOM 0 HG22 VAL A 57 -3.148 -9.538 9.429 1.00 50.00 H new ATOM 0 HG23 VAL A 57 -3.077 -10.775 8.152 1.00 50.00 H new ATOM 898 N MET A 58 -5.117 -8.185 8.714 1.00 10.00 N ATOM 899 CA MET A 58 -5.985 -7.521 9.680 1.00 10.00 C ATOM 900 C MET A 58 -6.791 -6.408 9.024 1.00 10.00 C ATOM 901 O MET A 58 -7.509 -6.639 8.052 1.00 50.00 O ATOM 902 CB MET A 58 -5.157 -6.963 10.837 1.00 50.00 C ATOM 903 CG MET A 58 -4.388 -8.014 11.626 1.00 50.00 C ATOM 904 SD MET A 58 -5.468 -9.267 12.350 1.00 75.00 S ATOM 905 CE MET A 58 -6.333 -8.297 13.581 1.00 75.00 C ATOM 0 H MET A 58 -5.288 -9.185 8.612 1.00 10.00 H new ATOM 0 HA MET A 58 -6.686 -8.260 10.068 1.00 10.00 H new ATOM 0 HB2 MET A 58 -4.450 -6.233 10.443 1.00 50.00 H new ATOM 0 HB3 MET A 58 -5.820 -6.429 11.517 1.00 50.00 H new ATOM 0 HG2 MET A 58 -3.665 -8.498 10.970 1.00 50.00 H new ATOM 0 HG3 MET A 58 -3.822 -7.525 12.419 1.00 50.00 H new ATOM 0 HE1 MET A 58 -6.862 -8.963 14.263 1.00 75.00 H new ATOM 0 HE2 MET A 58 -5.616 -7.698 14.142 1.00 75.00 H new ATOM 0 HE3 MET A 58 -7.049 -7.639 13.088 1.00 75.00 H new ATOM 915 N ASP A 59 -6.667 -5.200 9.561 1.00 10.00 N ATOM 916 CA ASP A 59 -7.377 -4.045 9.022 1.00 10.00 C ATOM 917 C ASP A 59 -6.410 -2.939 8.625 1.00 10.00 C ATOM 918 O ASP A 59 -6.657 -1.760 8.885 1.00 50.00 O ATOM 919 CB ASP A 59 -8.391 -3.517 10.041 1.00 50.00 C ATOM 920 CG ASP A 59 -9.425 -2.562 9.462 1.00 50.00 C ATOM 921 OD1 ASP A 59 -9.982 -2.873 8.436 1.00 75.00 O ATOM 922 OD2 ASP A 59 -9.765 -1.612 10.125 1.00 50.00 O ATOM 0 H ASP A 59 -6.081 -4.994 10.370 1.00 10.00 H new ATOM 0 HA ASP A 59 -7.909 -4.369 8.127 1.00 10.00 H new ATOM 0 HB2 ASP A 59 -8.909 -4.363 10.492 1.00 50.00 H new ATOM 0 HB3 ASP A 59 -7.853 -3.009 10.841 1.00 50.00 H new ATOM 927 N PHE A 60 -5.306 -3.323 7.993 1.00 10.00 N ATOM 928 CA PHE A 60 -4.341 -2.359 7.479 1.00 10.00 C ATOM 929 C PHE A 60 -3.576 -2.923 6.289 1.00 10.00 C ATOM 930 O PHE A 60 -3.567 -4.134 6.063 1.00 50.00 O ATOM 931 CB PHE A 60 -3.365 -1.942 8.581 1.00 50.00 C ATOM 932 CG PHE A 60 -2.489 -3.060 9.072 1.00 50.00 C ATOM 933 CD1 PHE A 60 -1.277 -3.331 8.457 1.00 50.00 C ATOM 934 CD2 PHE A 60 -2.879 -3.845 10.146 1.00 50.00 C ATOM 935 CE1 PHE A 60 -0.470 -4.360 8.907 1.00 50.00 C ATOM 936 CE2 PHE A 60 -2.075 -4.873 10.599 1.00 50.00 C ATOM 937 CZ PHE A 60 -0.869 -5.131 9.978 1.00 50.00 C ATOM 0 H PHE A 60 -5.057 -4.298 7.824 1.00 10.00 H new ATOM 0 HA PHE A 60 -4.894 -1.482 7.142 1.00 10.00 H new ATOM 0 HB2 PHE A 60 -2.734 -1.136 8.208 1.00 50.00 H new ATOM 0 HB3 PHE A 60 -3.931 -1.541 9.422 1.00 50.00 H new ATOM 0 HD1 PHE A 60 -0.959 -2.732 7.617 1.00 50.00 H new ATOM 0 HD2 PHE A 60 -3.822 -3.651 10.634 1.00 50.00 H new ATOM 0 HE1 PHE A 60 0.473 -4.560 8.419 1.00 50.00 H new ATOM 0 HE2 PHE A 60 -2.390 -5.475 11.439 1.00 50.00 H new ATOM 0 HZ PHE A 60 -0.240 -5.935 10.330 1.00 50.00 H new ATOM 947 N ILE A 61 -2.936 -2.041 5.530 1.00 10.00 N ATOM 948 CA ILE A 61 -2.180 -2.448 4.352 1.00 10.00 C ATOM 949 C ILE A 61 -0.700 -2.123 4.506 1.00 10.00 C ATOM 950 O ILE A 61 -0.337 -1.030 4.938 1.00 50.00 O ATOM 951 CB ILE A 61 -2.715 -1.771 3.077 1.00 50.00 C ATOM 952 CG1 ILE A 61 -4.152 -2.217 2.797 1.00 50.00 C ATOM 953 CG2 ILE A 61 -1.816 -2.083 1.891 1.00 50.00 C ATOM 954 CD1 ILE A 61 -4.825 -1.447 1.683 1.00 50.00 C ATOM 0 H ILE A 61 -2.926 -1.037 5.710 1.00 10.00 H new ATOM 0 HA ILE A 61 -2.302 -3.527 4.258 1.00 10.00 H new ATOM 0 HB ILE A 61 -2.715 -0.692 3.232 1.00 50.00 H new ATOM 0 HG12 ILE A 61 -4.150 -3.277 2.544 1.00 50.00 H new ATOM 0 HG13 ILE A 61 -4.740 -2.108 3.708 1.00 50.00 H new ATOM 0 HG21 ILE A 61 -2.209 -1.596 0.998 1.00 50.00 H new ATOM 0 HG22 ILE A 61 -0.809 -1.716 2.091 1.00 50.00 H new ATOM 0 HG23 ILE A 61 -1.784 -3.161 1.732 1.00 50.00 H new ATOM 0 HD11 ILE A 61 -5.840 -1.820 1.544 1.00 50.00 H new ATOM 0 HD12 ILE A 61 -4.860 -0.389 1.942 1.00 50.00 H new ATOM 0 HD13 ILE A 61 -4.261 -1.576 0.759 1.00 50.00 H new ATOM 966 N SER A 62 0.150 -3.080 4.151 1.00 10.00 N ATOM 967 CA SER A 62 1.591 -2.860 4.140 1.00 10.00 C ATOM 968 C SER A 62 2.114 -2.702 2.717 1.00 10.00 C ATOM 969 O SER A 62 1.972 -3.602 1.890 1.00 50.00 O ATOM 970 CB SER A 62 2.300 -4.004 4.839 1.00 50.00 C ATOM 971 OG SER A 62 3.692 -3.869 4.788 1.00 50.00 O ATOM 0 H SER A 62 -0.135 -4.017 3.867 1.00 10.00 H new ATOM 0 HA SER A 62 1.796 -1.934 4.677 1.00 10.00 H new ATOM 0 HB2 SER A 62 1.978 -4.048 5.879 1.00 50.00 H new ATOM 0 HB3 SER A 62 2.010 -4.947 4.376 1.00 50.00 H new ATOM 0 HG SER A 62 4.111 -4.625 5.250 1.00 50.00 H new ATOM 977 N VAL A 63 2.717 -1.551 2.440 1.00 10.00 N ATOM 978 CA VAL A 63 3.204 -1.246 1.100 1.00 10.00 C ATOM 979 C VAL A 63 4.727 -1.270 1.048 1.00 10.00 C ATOM 980 O VAL A 63 5.394 -0.543 1.782 1.00 50.00 O ATOM 981 CB VAL A 63 2.706 0.128 0.617 1.00 50.00 C ATOM 982 CG1 VAL A 63 3.268 0.445 -0.759 1.00 50.00 C ATOM 983 CG2 VAL A 63 1.186 0.165 0.592 1.00 50.00 C ATOM 0 H VAL A 63 2.880 -0.814 3.126 1.00 10.00 H new ATOM 0 HA VAL A 63 2.809 -2.018 0.440 1.00 10.00 H new ATOM 0 HB VAL A 63 3.058 0.887 1.316 1.00 50.00 H new ATOM 0 HG11 VAL A 63 2.905 1.420 -1.084 1.00 50.00 H new ATOM 0 HG12 VAL A 63 4.357 0.460 -0.713 1.00 50.00 H new ATOM 0 HG13 VAL A 63 2.945 -0.317 -1.468 1.00 50.00 H new ATOM 0 HG21 VAL A 63 0.851 1.144 0.248 1.00 50.00 H new ATOM 0 HG22 VAL A 63 0.814 -0.604 -0.085 1.00 50.00 H new ATOM 0 HG23 VAL A 63 0.801 -0.018 1.595 1.00 50.00 H new ATOM 993 N ASP A 64 5.270 -2.112 0.176 1.00 10.00 N ATOM 994 CA ASP A 64 6.715 -2.237 0.029 1.00 10.00 C ATOM 995 C ASP A 64 7.178 -1.712 -1.324 1.00 10.00 C ATOM 996 O ASP A 64 6.732 -2.184 -2.370 1.00 50.00 O ATOM 997 CB ASP A 64 7.149 -3.693 0.204 1.00 50.00 C ATOM 998 CG ASP A 64 8.653 -3.919 0.102 1.00 50.00 C ATOM 999 OD1 ASP A 64 9.352 -2.987 -0.217 1.00 50.00 O ATOM 1000 OD2 ASP A 64 9.103 -4.970 0.488 1.00 50.00 O ATOM 0 H ASP A 64 4.730 -2.719 -0.441 1.00 10.00 H new ATOM 0 HA ASP A 64 7.182 -1.634 0.807 1.00 10.00 H new ATOM 0 HB2 ASP A 64 6.806 -4.047 1.176 1.00 50.00 H new ATOM 0 HB3 ASP A 64 6.651 -4.301 -0.551 1.00 50.00 H new ATOM 1005 N LYS A 65 8.076 -0.732 -1.298 1.00 10.00 N ATOM 1006 CA LYS A 65 8.526 -0.072 -2.518 1.00 10.00 C ATOM 1007 C LYS A 65 9.861 -0.635 -2.988 1.00 10.00 C ATOM 1008 O LYS A 65 10.425 -1.530 -2.358 1.00 50.00 O ATOM 1009 CB LYS A 65 8.638 1.436 -2.302 1.00 50.00 C ATOM 1010 CG LYS A 65 9.753 1.855 -1.352 1.00 50.00 C ATOM 1011 CD LYS A 65 10.000 3.354 -1.416 1.00 50.00 C ATOM 1012 CE LYS A 65 11.063 3.784 -0.416 1.00 50.00 C ATOM 1013 NZ LYS A 65 12.423 3.334 -0.822 1.00 50.00 N ATOM 0 H LYS A 65 8.507 -0.377 -0.444 1.00 10.00 H new ATOM 0 HA LYS A 65 7.784 -0.263 -3.293 1.00 10.00 H new ATOM 0 HB2 LYS A 65 8.799 1.918 -3.266 1.00 50.00 H new ATOM 0 HB3 LYS A 65 7.689 1.807 -1.915 1.00 50.00 H new ATOM 0 HG2 LYS A 65 9.491 1.571 -0.333 1.00 50.00 H new ATOM 0 HG3 LYS A 65 10.669 1.322 -1.606 1.00 50.00 H new ATOM 0 HD2 LYS A 65 10.313 3.630 -2.423 1.00 50.00 H new ATOM 0 HD3 LYS A 65 9.071 3.887 -1.213 1.00 50.00 H new ATOM 0 HE2 LYS A 65 11.053 4.870 -0.321 1.00 50.00 H new ATOM 0 HE3 LYS A 65 10.824 3.376 0.566 1.00 50.00 H new ATOM 0 HZ1 LYS A 65 12.818 2.714 -0.086 1.00 50.00 H new ATOM 0 HZ2 LYS A 65 12.362 2.811 -1.719 1.00 50.00 H new ATOM 0 HZ3 LYS A 65 13.040 4.162 -0.945 1.00 50.00 H new ATOM 1027 N GLU A 66 10.364 -0.103 -4.097 1.00 10.00 N ATOM 1028 CA GLU A 66 11.716 -0.409 -4.547 1.00 10.00 C ATOM 1029 C GLU A 66 12.746 0.449 -3.824 1.00 10.00 C ATOM 1030 O GLU A 66 12.441 1.552 -3.373 1.00 50.00 O ATOM 1031 CB GLU A 66 11.835 -0.209 -6.060 1.00 50.00 C ATOM 1032 CG GLU A 66 10.969 -1.147 -6.889 1.00 50.00 C ATOM 1033 CD GLU A 66 11.200 -0.945 -8.361 1.00 50.00 C ATOM 1034 OE1 GLU A 66 11.948 -0.065 -8.711 1.00 50.00 O ATOM 1035 OE2 GLU A 66 10.718 -1.743 -9.131 1.00 50.00 O ATOM 0 H GLU A 66 9.855 0.543 -4.701 1.00 10.00 H new ATOM 0 HA GLU A 66 11.917 -1.454 -4.310 1.00 10.00 H new ATOM 0 HB2 GLU A 66 11.567 0.820 -6.300 1.00 50.00 H new ATOM 0 HB3 GLU A 66 12.877 -0.344 -6.351 1.00 50.00 H new ATOM 0 HG2 GLU A 66 11.190 -2.181 -6.622 1.00 50.00 H new ATOM 0 HG3 GLU A 66 9.918 -0.976 -6.657 1.00 50.00 H new ATOM 1042 N ASN A 67 13.967 -0.064 -3.716 1.00 10.00 N ATOM 1043 CA ASN A 67 15.029 0.629 -2.999 1.00 10.00 C ATOM 1044 C ASN A 67 15.380 1.950 -3.675 1.00 10.00 C ATOM 1045 O ASN A 67 15.674 2.941 -3.008 1.00 50.00 O ATOM 1046 CB ASN A 67 16.268 -0.237 -2.867 1.00 50.00 C ATOM 1047 CG ASN A 67 17.300 0.320 -1.927 1.00 50.00 C ATOM 1048 OD1 ASN A 67 17.058 0.464 -0.723 1.00 50.00 O ATOM 1049 ND2 ASN A 67 18.419 0.710 -2.483 1.00 50.00 N ATOM 0 H ASN A 67 14.245 -0.960 -4.117 1.00 10.00 H new ATOM 0 HA ASN A 67 14.654 0.842 -1.998 1.00 10.00 H new ATOM 0 HB2 ASN A 67 15.972 -1.228 -2.522 1.00 50.00 H new ATOM 0 HB3 ASN A 67 16.718 -0.364 -3.852 1.00 50.00 H new ATOM 0 HD21 ASN A 67 19.141 1.156 -1.917 1.00 50.00 H new ATOM 0 HD22 ASN A 67 18.569 0.567 -3.482 1.00 50.00 H new ATOM 1056 N ASP A 68 15.347 1.955 -5.003 1.00 10.00 N ATOM 1057 CA ASP A 68 15.613 3.165 -5.771 1.00 10.00 C ATOM 1058 C ASP A 68 14.491 4.182 -5.603 1.00 10.00 C ATOM 1059 O ASP A 68 14.740 5.380 -5.481 1.00 50.00 O ATOM 1060 CB ASP A 68 15.800 2.830 -7.252 1.00 50.00 C ATOM 1061 CG ASP A 68 17.115 2.134 -7.579 1.00 50.00 C ATOM 1062 OD1 ASP A 68 17.980 2.120 -6.738 1.00 50.00 O ATOM 1063 OD2 ASP A 68 17.186 1.491 -8.600 1.00 50.00 O ATOM 0 H ASP A 68 15.138 1.133 -5.570 1.00 10.00 H new ATOM 0 HA ASP A 68 16.534 3.606 -5.389 1.00 10.00 H new ATOM 0 HB2 ASP A 68 14.976 2.193 -7.575 1.00 50.00 H new ATOM 0 HB3 ASP A 68 15.737 3.751 -7.831 1.00 50.00 H new ATOM 1068 N ALA A 69 13.254 3.695 -5.595 1.00 10.00 N ATOM 1069 CA ALA A 69 12.092 4.560 -5.426 1.00 10.00 C ATOM 1070 C ALA A 69 12.148 5.306 -4.101 1.00 10.00 C ATOM 1071 O ALA A 69 12.835 4.885 -3.170 1.00 50.00 O ATOM 1072 CB ALA A 69 10.809 3.748 -5.528 1.00 50.00 C ATOM 0 H ALA A 69 13.031 2.706 -5.704 1.00 10.00 H new ATOM 0 HA ALA A 69 12.103 5.300 -6.226 1.00 10.00 H new ATOM 0 HB1 ALA A 69 9.950 4.407 -5.400 1.00 50.00 H new ATOM 0 HB2 ALA A 69 10.757 3.271 -6.507 1.00 50.00 H new ATOM 0 HB3 ALA A 69 10.799 2.984 -4.751 1.00 50.00 H new ATOM 1078 N ASN A 70 11.422 6.415 -4.020 1.00 10.00 N ATOM 1079 CA ASN A 70 11.339 7.188 -2.786 1.00 10.00 C ATOM 1080 C ASN A 70 9.896 7.331 -2.321 1.00 10.00 C ATOM 1081 O ASN A 70 8.971 7.350 -3.133 1.00 50.00 O ATOM 1082 CB ASN A 70 11.977 8.557 -2.946 1.00 50.00 C ATOM 1083 CG ASN A 70 13.450 8.507 -3.242 1.00 50.00 C ATOM 1084 OD1 ASN A 70 14.262 8.135 -2.386 1.00 50.00 O ATOM 1085 ND2 ASN A 70 13.807 8.958 -4.417 1.00 50.00 N ATOM 0 H ASN A 70 10.882 6.800 -4.795 1.00 10.00 H new ATOM 0 HA ASN A 70 11.894 6.640 -2.025 1.00 10.00 H new ATOM 0 HB2 ASN A 70 11.472 9.092 -3.750 1.00 50.00 H new ATOM 0 HB3 ASN A 70 11.818 9.131 -2.033 1.00 50.00 H new ATOM 0 HD21 ASN A 70 14.795 9.015 -4.663 1.00 50.00 H new ATOM 0 HD22 ASN A 70 13.097 9.252 -5.088 1.00 50.00 H new ATOM 1092 N TRP A 71 9.711 7.432 -1.010 1.00 10.00 N ATOM 1093 CA TRP A 71 8.380 7.593 -0.434 1.00 10.00 C ATOM 1094 C TRP A 71 7.809 8.971 -0.745 1.00 10.00 C ATOM 1095 O TRP A 71 6.593 9.160 -0.766 1.00 50.00 O ATOM 1096 CB TRP A 71 8.422 7.373 1.079 1.00 50.00 C ATOM 1097 CG TRP A 71 8.543 5.932 1.471 1.00 50.00 C ATOM 1098 CD1 TRP A 71 9.524 5.375 2.235 1.00 50.00 C ATOM 1099 CD2 TRP A 71 7.653 4.866 1.118 1.00 50.00 C ATOM 1100 NE1 TRP A 71 9.302 4.028 2.381 1.00 50.00 N ATOM 1101 CE2 TRP A 71 8.156 3.691 1.703 1.00 50.00 C ATOM 1102 CE3 TRP A 71 6.477 4.792 0.362 1.00 50.00 C ATOM 1103 CZ2 TRP A 71 7.532 2.462 1.559 1.00 50.00 C ATOM 1104 CZ3 TRP A 71 5.851 3.560 0.219 1.00 50.00 C ATOM 1105 CH2 TRP A 71 6.363 2.428 0.800 1.00 50.00 C ATOM 0 H TRP A 71 10.466 7.405 -0.325 1.00 10.00 H new ATOM 0 HA TRP A 71 7.729 6.844 -0.884 1.00 10.00 H new ATOM 0 HB2 TRP A 71 9.264 7.926 1.495 1.00 50.00 H new ATOM 0 HB3 TRP A 71 7.517 7.787 1.524 1.00 50.00 H new ATOM 0 HD1 TRP A 71 10.356 5.915 2.664 1.00 50.00 H new ATOM 0 HE1 TRP A 71 9.892 3.383 2.907 1.00 50.00 H new ATOM 0 HE3 TRP A 71 6.064 5.676 -0.101 1.00 50.00 H new ATOM 0 HZ2 TRP A 71 7.934 1.569 2.015 1.00 50.00 H new ATOM 0 HZ3 TRP A 71 4.943 3.492 -0.361 1.00 50.00 H new ATOM 0 HH2 TRP A 71 5.848 1.488 0.666 1.00 50.00 H new ATOM 1116 N GLU A 72 8.695 9.931 -0.988 1.00 10.00 N ATOM 1117 CA GLU A 72 8.282 11.273 -1.384 1.00 10.00 C ATOM 1118 C GLU A 72 7.445 11.237 -2.657 1.00 10.00 C ATOM 1119 O GLU A 72 6.518 12.030 -2.823 1.00 50.00 O ATOM 1120 CB GLU A 72 9.503 12.173 -1.583 1.00 50.00 C ATOM 1121 CG GLU A 72 10.227 12.542 -0.294 1.00 50.00 C ATOM 1122 CD GLU A 72 11.470 13.340 -0.577 1.00 50.00 C ATOM 1123 OE1 GLU A 72 11.779 13.534 -1.727 1.00 50.00 O ATOM 1124 OE2 GLU A 72 12.047 13.850 0.354 1.00 75.00 O ATOM 0 H GLU A 72 9.705 9.805 -0.918 1.00 10.00 H new ATOM 0 HA GLU A 72 7.668 11.683 -0.583 1.00 10.00 H new ATOM 0 HB2 GLU A 72 10.205 11.671 -2.249 1.00 50.00 H new ATOM 0 HB3 GLU A 72 9.187 13.088 -2.083 1.00 50.00 H new ATOM 0 HG2 GLU A 72 9.561 13.118 0.348 1.00 50.00 H new ATOM 0 HG3 GLU A 72 10.490 11.635 0.251 1.00 50.00 H new ATOM 1131 N THR A 73 7.779 10.314 -3.552 1.00 10.00 N ATOM 1132 CA THR A 73 7.004 10.113 -4.771 1.00 10.00 C ATOM 1133 C THR A 73 5.781 9.243 -4.508 1.00 10.00 C ATOM 1134 O THR A 73 4.664 9.592 -4.887 1.00 50.00 O ATOM 1135 CB THR A 73 7.852 9.469 -5.882 1.00 50.00 C ATOM 1136 OG1 THR A 73 8.951 10.329 -6.208 1.00 50.00 O ATOM 1137 CG2 THR A 73 7.011 9.231 -7.127 1.00 50.00 C ATOM 0 H THR A 73 8.582 9.692 -3.456 1.00 10.00 H new ATOM 0 HA THR A 73 6.680 11.099 -5.103 1.00 10.00 H new ATOM 0 HB THR A 73 8.227 8.511 -5.522 1.00 50.00 H new ATOM 0 HG1 THR A 73 9.491 9.917 -6.914 1.00 50.00 H new ATOM 0 HG21 THR A 73 7.628 8.775 -7.901 1.00 50.00 H new ATOM 0 HG22 THR A 73 6.182 8.565 -6.885 1.00 50.00 H new ATOM 0 HG23 THR A 73 6.619 10.182 -7.488 1.00 50.00 H new ATOM 1145 N VAL A 74 6.001 8.106 -3.856 1.00 10.00 N ATOM 1146 CA VAL A 74 4.985 7.062 -3.772 1.00 10.00 C ATOM 1147 C VAL A 74 3.793 7.521 -2.941 1.00 10.00 C ATOM 1148 O VAL A 74 2.645 7.405 -3.370 1.00 50.00 O ATOM 1149 CB VAL A 74 5.556 5.767 -3.164 1.00 50.00 C ATOM 1150 CG1 VAL A 74 4.439 4.769 -2.894 1.00 50.00 C ATOM 1151 CG2 VAL A 74 6.598 5.158 -4.087 1.00 50.00 C ATOM 0 H VAL A 74 6.874 7.884 -3.378 1.00 10.00 H new ATOM 0 HA VAL A 74 4.656 6.859 -4.791 1.00 10.00 H new ATOM 0 HB VAL A 74 6.037 6.015 -2.218 1.00 50.00 H new ATOM 0 HG11 VAL A 74 4.859 3.860 -2.465 1.00 50.00 H new ATOM 0 HG12 VAL A 74 3.724 5.203 -2.195 1.00 50.00 H new ATOM 0 HG13 VAL A 74 3.932 4.528 -3.829 1.00 50.00 H new ATOM 0 HG21 VAL A 74 6.990 4.244 -3.641 1.00 50.00 H new ATOM 0 HG22 VAL A 74 6.141 4.925 -5.049 1.00 50.00 H new ATOM 0 HG23 VAL A 74 7.412 5.868 -4.235 1.00 50.00 H new ATOM 1161 N LEU A 75 4.072 8.041 -1.752 1.00 10.00 N ATOM 1162 CA LEU A 75 3.060 8.159 -0.710 1.00 10.00 C ATOM 1163 C LEU A 75 1.921 9.069 -1.150 1.00 50.00 C ATOM 1164 O LEU A 75 0.748 8.736 -0.983 1.00 50.00 O ATOM 1165 CB LEU A 75 3.690 8.685 0.585 1.00 50.00 C ATOM 1166 CG LEU A 75 4.483 7.648 1.392 1.00 50.00 C ATOM 1167 CD1 LEU A 75 5.134 8.311 2.598 1.00 50.00 C ATOM 1168 CD2 LEU A 75 3.554 6.526 1.831 1.00 50.00 C ATOM 0 H LEU A 75 4.993 8.388 -1.485 1.00 10.00 H new ATOM 0 HA LEU A 75 2.648 7.167 -0.526 1.00 10.00 H new ATOM 0 HB2 LEU A 75 4.353 9.514 0.337 1.00 50.00 H new ATOM 0 HB3 LEU A 75 2.899 9.087 1.218 1.00 50.00 H new ATOM 0 HG LEU A 75 5.271 7.227 0.767 1.00 50.00 H new ATOM 0 HD11 LEU A 75 5.694 7.567 3.164 1.00 50.00 H new ATOM 0 HD12 LEU A 75 5.811 9.096 2.260 1.00 50.00 H new ATOM 0 HD13 LEU A 75 4.363 8.746 3.234 1.00 50.00 H new ATOM 0 HD21 LEU A 75 4.118 5.790 2.404 1.00 50.00 H new ATOM 0 HD22 LEU A 75 2.757 6.935 2.451 1.00 50.00 H new ATOM 0 HD23 LEU A 75 3.121 6.048 0.953 1.00 50.00 H new ATOM 1180 N PRO A 76 2.272 10.220 -1.714 1.00 50.00 N ATOM 1181 CA PRO A 76 1.281 11.151 -2.238 1.00 50.00 C ATOM 1182 C PRO A 76 0.255 10.433 -3.106 1.00 50.00 C ATOM 1183 O PRO A 76 -0.948 10.658 -2.975 1.00 50.00 O ATOM 1184 CB PRO A 76 2.105 12.164 -3.039 1.00 50.00 C ATOM 1185 CG PRO A 76 3.416 12.218 -2.333 1.00 50.00 C ATOM 1186 CD PRO A 76 3.693 10.803 -1.897 1.00 50.00 C ATOM 0 HA PRO A 76 0.698 11.632 -1.453 1.00 50.00 H new ATOM 0 HB2 PRO A 76 2.225 11.848 -4.075 1.00 50.00 H new ATOM 0 HB3 PRO A 76 1.623 13.142 -3.058 1.00 50.00 H new ATOM 0 HG2 PRO A 76 4.202 12.587 -2.992 1.00 50.00 H new ATOM 0 HG3 PRO A 76 3.374 12.892 -1.477 1.00 50.00 H new ATOM 0 HD2 PRO A 76 4.263 10.253 -2.645 1.00 50.00 H new ATOM 0 HD3 PRO A 76 4.267 10.769 -0.971 1.00 50.00 H new ATOM 1194 N LYS A 77 0.737 9.569 -3.991 1.00 50.00 N ATOM 1195 CA LYS A 77 -0.131 8.861 -4.923 1.00 50.00 C ATOM 1196 C LYS A 77 -0.963 7.803 -4.207 1.00 50.00 C ATOM 1197 O LYS A 77 -2.169 7.693 -4.426 1.00 50.00 O ATOM 1198 CB LYS A 77 0.692 8.215 -6.039 1.00 50.00 C ATOM 1199 CG LYS A 77 1.328 9.207 -7.004 1.00 50.00 C ATOM 1200 CD LYS A 77 2.150 8.494 -8.067 1.00 50.00 C ATOM 1201 CE LYS A 77 2.757 9.481 -9.052 1.00 50.00 C ATOM 1202 NZ LYS A 77 3.546 8.796 -10.113 1.00 50.00 N ATOM 0 H LYS A 77 1.727 9.342 -4.083 1.00 50.00 H new ATOM 0 HA LYS A 77 -0.811 9.590 -5.362 1.00 50.00 H new ATOM 0 HB2 LYS A 77 1.478 7.608 -5.590 1.00 50.00 H new ATOM 0 HB3 LYS A 77 0.050 7.538 -6.603 1.00 50.00 H new ATOM 0 HG2 LYS A 77 0.550 9.803 -7.482 1.00 50.00 H new ATOM 0 HG3 LYS A 77 1.965 9.898 -6.452 1.00 50.00 H new ATOM 0 HD2 LYS A 77 2.943 7.918 -7.590 1.00 50.00 H new ATOM 0 HD3 LYS A 77 1.519 7.785 -8.602 1.00 50.00 H new ATOM 0 HE2 LYS A 77 1.963 10.068 -9.513 1.00 50.00 H new ATOM 0 HE3 LYS A 77 3.400 10.179 -8.516 1.00 50.00 H new ATOM 0 HZ1 LYS A 77 3.942 9.505 -10.763 1.00 50.00 H new ATOM 0 HZ2 LYS A 77 4.320 8.256 -9.676 1.00 50.00 H new ATOM 0 HZ3 LYS A 77 2.928 8.148 -10.642 1.00 50.00 H new ATOM 1216 N VAL A 78 -0.309 7.025 -3.349 1.00 50.00 N ATOM 1217 CA VAL A 78 -0.995 6.010 -2.560 1.00 50.00 C ATOM 1218 C VAL A 78 -2.052 6.633 -1.659 1.00 50.00 C ATOM 1219 O VAL A 78 -3.177 6.140 -1.570 1.00 50.00 O ATOM 1220 CB VAL A 78 -0.008 5.203 -1.695 1.00 50.00 C ATOM 1221 CG1 VAL A 78 -0.760 4.289 -0.741 1.00 50.00 C ATOM 1222 CG2 VAL A 78 0.933 4.394 -2.576 1.00 50.00 C ATOM 0 H VAL A 78 0.696 7.079 -3.183 1.00 50.00 H new ATOM 0 HA VAL A 78 -1.478 5.336 -3.268 1.00 50.00 H new ATOM 0 HB VAL A 78 0.586 5.902 -1.106 1.00 50.00 H new ATOM 0 HG11 VAL A 78 -0.047 3.727 -0.138 1.00 50.00 H new ATOM 0 HG12 VAL A 78 -1.395 4.888 -0.088 1.00 50.00 H new ATOM 0 HG13 VAL A 78 -1.378 3.596 -1.312 1.00 50.00 H new ATOM 0 HG21 VAL A 78 1.624 3.830 -1.949 1.00 50.00 H new ATOM 0 HG22 VAL A 78 0.354 3.704 -3.190 1.00 50.00 H new ATOM 0 HG23 VAL A 78 1.497 5.068 -3.221 1.00 50.00 H new ATOM 1232 N GLU A 79 -1.685 7.722 -0.989 1.00 50.00 N ATOM 1233 CA GLU A 79 -2.622 8.457 -0.150 1.00 50.00 C ATOM 1234 C GLU A 79 -3.866 8.857 -0.933 1.00 50.00 C ATOM 1235 O GLU A 79 -4.987 8.730 -0.442 1.00 50.00 O ATOM 1236 CB GLU A 79 -1.951 9.699 0.441 1.00 50.00 C ATOM 1237 CG GLU A 79 -2.849 10.525 1.352 1.00 50.00 C ATOM 1238 CD GLU A 79 -2.111 11.706 1.920 1.00 50.00 C ATOM 1239 OE1 GLU A 79 -0.947 11.852 1.629 1.00 50.00 O ATOM 1240 OE2 GLU A 79 -2.737 12.524 2.551 1.00 50.00 O ATOM 0 H GLU A 79 -0.744 8.114 -1.012 1.00 50.00 H new ATOM 0 HA GLU A 79 -2.928 7.799 0.663 1.00 50.00 H new ATOM 0 HB2 GLU A 79 -1.070 9.389 1.003 1.00 50.00 H new ATOM 0 HB3 GLU A 79 -1.601 10.331 -0.375 1.00 50.00 H new ATOM 0 HG2 GLU A 79 -3.718 10.871 0.793 1.00 50.00 H new ATOM 0 HG3 GLU A 79 -3.220 9.900 2.164 1.00 50.00 H new ATOM 1247 N ALA A 80 -3.662 9.341 -2.153 1.00 50.00 N ATOM 1248 CA ALA A 80 -4.766 9.752 -3.010 1.00 50.00 C ATOM 1249 C ALA A 80 -5.763 8.616 -3.206 1.00 50.00 C ATOM 1250 O ALA A 80 -6.973 8.835 -3.220 1.00 50.00 O ATOM 1251 CB ALA A 80 -4.242 10.239 -4.353 1.00 50.00 C ATOM 0 H ALA A 80 -2.739 9.458 -2.571 1.00 50.00 H new ATOM 0 HA ALA A 80 -5.287 10.574 -2.519 1.00 50.00 H new ATOM 0 HB1 ALA A 80 -5.079 10.542 -4.982 1.00 50.00 H new ATOM 0 HB2 ALA A 80 -3.578 11.089 -4.198 1.00 50.00 H new ATOM 0 HB3 ALA A 80 -3.693 9.435 -4.843 1.00 50.00 H new ATOM 1257 N VAL A 81 -5.246 7.402 -3.359 1.00 50.00 N ATOM 1258 CA VAL A 81 -6.083 6.242 -3.643 1.00 50.00 C ATOM 1259 C VAL A 81 -7.256 6.160 -2.675 1.00 50.00 C ATOM 1260 O VAL A 81 -8.400 5.961 -3.085 1.00 50.00 O ATOM 1261 CB VAL A 81 -5.277 4.932 -3.570 1.00 50.00 C ATOM 1262 CG1 VAL A 81 -6.206 3.730 -3.661 1.00 50.00 C ATOM 1263 CG2 VAL A 81 -4.236 4.884 -4.678 1.00 50.00 C ATOM 0 H VAL A 81 -4.249 7.195 -3.291 1.00 50.00 H new ATOM 0 HA VAL A 81 -6.461 6.368 -4.657 1.00 50.00 H new ATOM 0 HB VAL A 81 -4.761 4.898 -2.611 1.00 50.00 H new ATOM 0 HG11 VAL A 81 -5.620 2.812 -3.608 1.00 50.00 H new ATOM 0 HG12 VAL A 81 -6.916 3.756 -2.834 1.00 50.00 H new ATOM 0 HG13 VAL A 81 -6.748 3.760 -4.606 1.00 50.00 H new ATOM 0 HG21 VAL A 81 -3.676 3.951 -4.611 1.00 50.00 H new ATOM 0 HG22 VAL A 81 -4.733 4.940 -5.647 1.00 50.00 H new ATOM 0 HG23 VAL A 81 -3.552 5.726 -4.572 1.00 50.00 H new ATOM 1273 N PHE A 82 -6.966 6.315 -1.387 1.00 50.00 N ATOM 1274 CA PHE A 82 -7.993 6.235 -0.356 1.00 50.00 C ATOM 1275 C PHE A 82 -8.748 7.551 -0.226 1.00 50.00 C ATOM 1276 O PHE A 82 -9.963 7.564 -0.026 1.00 50.00 O ATOM 1277 CB PHE A 82 -7.371 5.851 0.988 1.00 50.00 C ATOM 1278 CG PHE A 82 -6.543 4.599 0.936 1.00 50.00 C ATOM 1279 CD1 PHE A 82 -5.207 4.650 0.567 1.00 50.00 C ATOM 1280 CD2 PHE A 82 -7.096 3.369 1.258 1.00 50.00 C ATOM 1281 CE1 PHE A 82 -4.443 3.499 0.519 1.00 50.00 C ATOM 1282 CE2 PHE A 82 -6.335 2.217 1.213 1.00 50.00 C ATOM 1283 CZ PHE A 82 -5.007 2.282 0.842 1.00 50.00 C ATOM 0 H PHE A 82 -6.027 6.497 -1.033 1.00 50.00 H new ATOM 0 HA PHE A 82 -8.704 5.463 -0.652 1.00 50.00 H new ATOM 0 HB2 PHE A 82 -6.747 6.674 1.338 1.00 50.00 H new ATOM 0 HB3 PHE A 82 -8.166 5.720 1.722 1.00 50.00 H new ATOM 0 HD1 PHE A 82 -4.759 5.599 0.314 1.00 50.00 H new ATOM 0 HD2 PHE A 82 -8.135 3.311 1.548 1.00 50.00 H new ATOM 0 HE1 PHE A 82 -3.404 3.552 0.229 1.00 50.00 H new ATOM 0 HE2 PHE A 82 -6.779 1.266 1.468 1.00 50.00 H new ATOM 0 HZ PHE A 82 -4.411 1.382 0.805 1.00 50.00 H new ATOM 1293 N GLU A 83 -8.023 8.658 -0.344 1.00 50.00 N ATOM 1294 CA GLU A 83 -8.596 9.979 -0.115 1.00 50.00 C ATOM 1295 C GLU A 83 -9.663 10.303 -1.150 1.00 50.00 C ATOM 1296 O GLU A 83 -10.609 11.041 -0.872 1.00 50.00 O ATOM 1297 CB GLU A 83 -7.502 11.048 -0.133 1.00 50.00 C ATOM 1298 CG GLU A 83 -6.625 11.073 1.110 1.00 50.00 C ATOM 1299 CD GLU A 83 -7.436 11.354 2.345 1.00 75.00 C ATOM 1300 OE1 GLU A 83 -8.163 12.318 2.349 1.00 75.00 O ATOM 1301 OE2 GLU A 83 -7.418 10.543 3.241 1.00 75.00 O ATOM 0 H GLU A 83 -7.035 8.666 -0.598 1.00 50.00 H new ATOM 0 HA GLU A 83 -9.067 9.972 0.868 1.00 50.00 H new ATOM 0 HB2 GLU A 83 -6.869 10.888 -1.006 1.00 50.00 H new ATOM 0 HB3 GLU A 83 -7.969 12.026 -0.253 1.00 50.00 H new ATOM 0 HG2 GLU A 83 -6.115 10.116 1.217 1.00 50.00 H new ATOM 0 HG3 GLU A 83 -5.853 11.835 0.998 1.00 50.00 H new