USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 555 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 59 GLN : amide:sc= 0.266 K(o=0.85,f=-0.027) USER MOD Set 1.2: A 61 SER OG : rot 90:sc= 0.587 USER MOD Single : A 2 SER OG : rot -32:sc= 0.135 USER MOD Single : A 3 HIS : no HE2:sc= -0.385 X(o=-0.39,f=-0.49) USER MOD Single : A 4 MET CE :methyl -179:sc= 0 (180deg=-0.00335) USER MOD Single : A 7 SER OG : rot 73:sc= 0.981 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 74:sc= 0.769 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0.00165 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 107:sc= 0.58 USER MOD Single : A 57 ASN : amide:sc= 0.368 X(o=0.37,f=0) USER MOD Single : A 58 GLN : amide:sc= 1.01 K(o=1,f=-0.084) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 ASN : amide:sc= -0.0519 K(o=-0.052,f=-0.69) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0157 USER MOD Single : A 81 HIS : no HE2:sc= 0.332 K(o=0.33,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 18.926 11.690 -15.652 1.00 1.00 N ATOM 9 CA SER A 2 18.231 11.720 -14.351 1.00 1.00 C ATOM 10 C SER A 2 16.794 11.188 -14.431 1.00 1.00 C ATOM 11 O SER A 2 16.356 10.445 -13.554 1.00 1.00 O ATOM 12 CB SER A 2 18.236 13.146 -13.786 1.00 1.00 C ATOM 13 OG SER A 2 17.698 14.066 -14.728 1.00 1.00 O ATOM 0 HA SER A 2 18.777 11.055 -13.682 1.00 1.00 H new ATOM 0 HB2 SER A 2 17.653 13.179 -12.865 1.00 1.00 H new ATOM 0 HB3 SER A 2 19.255 13.436 -13.529 1.00 1.00 H new ATOM 0 HG SER A 2 17.908 13.765 -15.636 1.00 1.00 H new ATOM 19 N HIS A 3 16.089 11.477 -15.527 1.00 1.00 N ATOM 20 CA HIS A 3 14.767 10.929 -15.845 1.00 1.00 C ATOM 21 C HIS A 3 14.742 9.390 -15.946 1.00 1.00 C ATOM 22 O HIS A 3 13.739 8.772 -15.580 1.00 1.00 O ATOM 23 CB HIS A 3 14.247 11.589 -17.132 1.00 1.00 C ATOM 24 CG HIS A 3 15.202 11.522 -18.303 1.00 1.00 C ATOM 25 ND1 HIS A 3 15.340 10.482 -19.195 1.00 1.00 N ATOM 26 CD2 HIS A 3 16.105 12.486 -18.670 1.00 1.00 C ATOM 27 CE1 HIS A 3 16.305 10.804 -20.072 1.00 1.00 C ATOM 28 NE2 HIS A 3 16.809 12.019 -19.789 1.00 1.00 N ATOM 0 H HIS A 3 16.433 12.119 -16.241 1.00 1.00 H new ATOM 0 HA HIS A 3 14.103 11.165 -15.013 1.00 1.00 H new ATOM 0 HB2 HIS A 3 13.309 11.111 -17.417 1.00 1.00 H new ATOM 0 HB3 HIS A 3 14.021 12.635 -16.923 1.00 1.00 H new ATOM 0 HD1 HIS A 3 14.802 9.616 -19.190 1.00 1.00 H new ATOM 0 HD2 HIS A 3 16.249 13.439 -18.182 1.00 1.00 H new ATOM 0 HE1 HIS A 3 16.630 10.177 -20.889 1.00 1.00 H new ATOM 36 N MET A 4 15.834 8.748 -16.381 1.00 1.00 N ATOM 37 CA MET A 4 15.948 7.281 -16.402 1.00 1.00 C ATOM 38 C MET A 4 16.144 6.713 -14.990 1.00 1.00 C ATOM 39 O MET A 4 15.520 5.711 -14.639 1.00 1.00 O ATOM 40 CB MET A 4 17.100 6.817 -17.310 1.00 1.00 C ATOM 41 CG MET A 4 17.015 7.348 -18.747 1.00 1.00 C ATOM 42 SD MET A 4 15.448 7.067 -19.623 1.00 1.00 S ATOM 43 CE MET A 4 15.512 5.264 -19.794 1.00 1.00 C ATOM 0 H MET A 4 16.664 9.229 -16.728 1.00 1.00 H new ATOM 0 HA MET A 4 15.010 6.899 -16.806 1.00 1.00 H new ATOM 0 HB2 MET A 4 18.046 7.136 -16.871 1.00 1.00 H new ATOM 0 HB3 MET A 4 17.112 5.727 -17.336 1.00 1.00 H new ATOM 0 HG2 MET A 4 17.207 8.421 -18.726 1.00 1.00 H new ATOM 0 HG3 MET A 4 17.817 6.892 -19.327 1.00 1.00 H new ATOM 0 HE1 MET A 4 14.628 4.918 -20.330 1.00 1.00 H new ATOM 0 HE2 MET A 4 16.407 4.983 -20.349 1.00 1.00 H new ATOM 0 HE3 MET A 4 15.540 4.806 -18.805 1.00 1.00 H new ATOM 53 N LEU A 5 16.953 7.375 -14.153 1.00 1.00 N ATOM 54 CA LEU A 5 17.136 7.005 -12.743 1.00 1.00 C ATOM 55 C LEU A 5 15.828 7.150 -11.945 1.00 1.00 C ATOM 56 O LEU A 5 15.478 6.268 -11.161 1.00 1.00 O ATOM 57 CB LEU A 5 18.261 7.851 -12.115 1.00 1.00 C ATOM 58 CG LEU A 5 19.644 7.690 -12.777 1.00 1.00 C ATOM 59 CD1 LEU A 5 20.645 8.636 -12.110 1.00 1.00 C ATOM 60 CD2 LEU A 5 20.188 6.263 -12.663 1.00 1.00 C ATOM 0 H LEU A 5 17.502 8.187 -14.436 1.00 1.00 H new ATOM 0 HA LEU A 5 17.423 5.954 -12.703 1.00 1.00 H new ATOM 0 HB2 LEU A 5 17.973 8.901 -12.160 1.00 1.00 H new ATOM 0 HB3 LEU A 5 18.347 7.589 -11.060 1.00 1.00 H new ATOM 0 HG LEU A 5 19.518 7.925 -13.834 1.00 1.00 H new ATOM 0 HD11 LEU A 5 21.622 8.521 -12.579 1.00 1.00 H new ATOM 0 HD12 LEU A 5 20.306 9.665 -12.226 1.00 1.00 H new ATOM 0 HD13 LEU A 5 20.721 8.396 -11.049 1.00 1.00 H new ATOM 0 HD21 LEU A 5 21.164 6.206 -13.146 1.00 1.00 H new ATOM 0 HD22 LEU A 5 20.287 5.994 -11.611 1.00 1.00 H new ATOM 0 HD23 LEU A 5 19.501 5.572 -13.151 1.00 1.00 H new ATOM 72 N GLU A 6 15.064 8.218 -12.189 1.00 1.00 N ATOM 73 CA GLU A 6 13.719 8.408 -11.629 1.00 1.00 C ATOM 74 C GLU A 6 12.721 7.348 -12.126 1.00 1.00 C ATOM 75 O GLU A 6 11.931 6.836 -11.334 1.00 1.00 O ATOM 76 CB GLU A 6 13.202 9.817 -11.961 1.00 1.00 C ATOM 77 CG GLU A 6 13.932 10.909 -11.167 1.00 1.00 C ATOM 78 CD GLU A 6 13.467 12.305 -11.603 1.00 1.00 C ATOM 79 OE1 GLU A 6 14.010 12.820 -12.610 1.00 1.00 O ATOM 80 OE2 GLU A 6 12.565 12.861 -10.931 1.00 1.00 O ATOM 0 H GLU A 6 15.364 8.986 -12.789 1.00 1.00 H new ATOM 0 HA GLU A 6 13.801 8.293 -10.548 1.00 1.00 H new ATOM 0 HB2 GLU A 6 13.324 10.004 -13.028 1.00 1.00 H new ATOM 0 HB3 GLU A 6 12.134 9.869 -11.748 1.00 1.00 H new ATOM 0 HG2 GLU A 6 13.746 10.776 -10.101 1.00 1.00 H new ATOM 0 HG3 GLU A 6 15.008 10.816 -11.317 1.00 1.00 H new ATOM 87 N SER A 7 12.785 6.958 -13.403 1.00 1.00 N ATOM 88 CA SER A 7 11.968 5.859 -13.944 1.00 1.00 C ATOM 89 C SER A 7 12.282 4.518 -13.266 1.00 1.00 C ATOM 90 O SER A 7 11.362 3.773 -12.928 1.00 1.00 O ATOM 91 CB SER A 7 12.142 5.722 -15.463 1.00 1.00 C ATOM 92 OG SER A 7 11.704 6.893 -16.134 1.00 1.00 O ATOM 0 H SER A 7 13.401 7.391 -14.091 1.00 1.00 H new ATOM 0 HA SER A 7 10.931 6.116 -13.730 1.00 1.00 H new ATOM 0 HB2 SER A 7 13.190 5.535 -15.697 1.00 1.00 H new ATOM 0 HB3 SER A 7 11.577 4.861 -15.821 1.00 1.00 H new ATOM 0 HG SER A 7 12.347 7.617 -15.983 1.00 1.00 H new ATOM 98 N SER A 8 13.560 4.227 -12.992 1.00 1.00 N ATOM 99 CA SER A 8 13.981 3.046 -12.218 1.00 1.00 C ATOM 100 C SER A 8 13.542 3.108 -10.750 1.00 1.00 C ATOM 101 O SER A 8 13.158 2.083 -10.186 1.00 1.00 O ATOM 102 CB SER A 8 15.503 2.866 -12.281 1.00 1.00 C ATOM 103 OG SER A 8 15.911 2.562 -13.606 1.00 1.00 O ATOM 0 H SER A 8 14.339 4.807 -13.302 1.00 1.00 H new ATOM 0 HA SER A 8 13.485 2.192 -12.679 1.00 1.00 H new ATOM 0 HB2 SER A 8 15.998 3.776 -11.941 1.00 1.00 H new ATOM 0 HB3 SER A 8 15.809 2.066 -11.607 1.00 1.00 H new ATOM 0 HG SER A 8 16.884 2.452 -13.631 1.00 1.00 H new ATOM 109 N ALA A 9 13.551 4.289 -10.122 1.00 1.00 N ATOM 110 CA ALA A 9 13.039 4.479 -8.763 1.00 1.00 C ATOM 111 C ALA A 9 11.517 4.243 -8.673 1.00 1.00 C ATOM 112 O ALA A 9 11.052 3.540 -7.774 1.00 1.00 O ATOM 113 CB ALA A 9 13.424 5.882 -8.276 1.00 1.00 C ATOM 0 H ALA A 9 13.915 5.143 -10.545 1.00 1.00 H new ATOM 0 HA ALA A 9 13.495 3.733 -8.111 1.00 1.00 H new ATOM 0 HB1 ALA A 9 13.047 6.032 -7.264 1.00 1.00 H new ATOM 0 HB2 ALA A 9 14.509 5.982 -8.277 1.00 1.00 H new ATOM 0 HB3 ALA A 9 12.990 6.629 -8.940 1.00 1.00 H new ATOM 119 N GLU A 10 10.734 4.764 -9.624 1.00 1.00 N ATOM 120 CA GLU A 10 9.288 4.505 -9.713 1.00 1.00 C ATOM 121 C GLU A 10 8.971 3.037 -10.053 1.00 1.00 C ATOM 122 O GLU A 10 8.036 2.465 -9.495 1.00 1.00 O ATOM 123 CB GLU A 10 8.642 5.439 -10.751 1.00 1.00 C ATOM 124 CG GLU A 10 8.607 6.914 -10.319 1.00 1.00 C ATOM 125 CD GLU A 10 7.682 7.144 -9.115 1.00 1.00 C ATOM 126 OE1 GLU A 10 6.453 7.276 -9.333 1.00 1.00 O ATOM 127 OE2 GLU A 10 8.198 7.180 -7.973 1.00 1.00 O ATOM 0 H GLU A 10 11.084 5.380 -10.358 1.00 1.00 H new ATOM 0 HA GLU A 10 8.867 4.706 -8.728 1.00 1.00 H new ATOM 0 HB2 GLU A 10 9.189 5.358 -11.690 1.00 1.00 H new ATOM 0 HB3 GLU A 10 7.624 5.102 -10.945 1.00 1.00 H new ATOM 0 HG2 GLU A 10 9.616 7.241 -10.068 1.00 1.00 H new ATOM 0 HG3 GLU A 10 8.272 7.528 -11.155 1.00 1.00 H new ATOM 134 N GLU A 11 9.770 2.391 -10.907 1.00 1.00 N ATOM 135 CA GLU A 11 9.679 0.950 -11.173 1.00 1.00 C ATOM 136 C GLU A 11 9.996 0.107 -9.924 1.00 1.00 C ATOM 137 O GLU A 11 9.313 -0.881 -9.647 1.00 1.00 O ATOM 138 CB GLU A 11 10.609 0.608 -12.350 1.00 1.00 C ATOM 139 CG GLU A 11 10.595 -0.875 -12.735 1.00 1.00 C ATOM 140 CD GLU A 11 11.404 -1.116 -14.015 1.00 1.00 C ATOM 141 OE1 GLU A 11 12.644 -1.277 -13.909 1.00 1.00 O ATOM 142 OE2 GLU A 11 10.787 -1.140 -15.108 1.00 1.00 O ATOM 0 H GLU A 11 10.505 2.857 -11.439 1.00 1.00 H new ATOM 0 HA GLU A 11 8.652 0.701 -11.441 1.00 1.00 H new ATOM 0 HB2 GLU A 11 10.318 1.202 -13.216 1.00 1.00 H new ATOM 0 HB3 GLU A 11 11.628 0.898 -12.093 1.00 1.00 H new ATOM 0 HG2 GLU A 11 11.009 -1.470 -11.921 1.00 1.00 H new ATOM 0 HG3 GLU A 11 9.567 -1.207 -12.882 1.00 1.00 H new ATOM 149 N SER A 12 10.979 0.523 -9.118 1.00 1.00 N ATOM 150 CA SER A 12 11.285 -0.112 -7.828 1.00 1.00 C ATOM 151 C SER A 12 10.155 0.070 -6.811 1.00 1.00 C ATOM 152 O SER A 12 9.850 -0.856 -6.062 1.00 1.00 O ATOM 153 CB SER A 12 12.594 0.426 -7.239 1.00 1.00 C ATOM 154 OG SER A 12 13.689 0.171 -8.107 1.00 1.00 O ATOM 0 H SER A 12 11.587 1.311 -9.341 1.00 1.00 H new ATOM 0 HA SER A 12 11.394 -1.178 -8.030 1.00 1.00 H new ATOM 0 HB2 SER A 12 12.505 1.499 -7.067 1.00 1.00 H new ATOM 0 HB3 SER A 12 12.778 -0.038 -6.270 1.00 1.00 H new ATOM 0 HG SER A 12 13.645 0.777 -8.876 1.00 1.00 H new ATOM 160 N LEU A 13 9.476 1.222 -6.812 1.00 1.00 N ATOM 161 CA LEU A 13 8.291 1.471 -5.981 1.00 1.00 C ATOM 162 C LEU A 13 7.117 0.578 -6.429 1.00 1.00 C ATOM 163 O LEU A 13 6.483 -0.069 -5.598 1.00 1.00 O ATOM 164 CB LEU A 13 7.962 2.977 -6.061 1.00 1.00 C ATOM 165 CG LEU A 13 7.060 3.551 -4.949 1.00 1.00 C ATOM 166 CD1 LEU A 13 6.903 5.055 -5.175 1.00 1.00 C ATOM 167 CD2 LEU A 13 5.659 2.941 -4.900 1.00 1.00 C ATOM 0 H LEU A 13 9.736 2.017 -7.396 1.00 1.00 H new ATOM 0 HA LEU A 13 8.483 1.211 -4.940 1.00 1.00 H new ATOM 0 HB2 LEU A 13 8.901 3.531 -6.057 1.00 1.00 H new ATOM 0 HB3 LEU A 13 7.483 3.170 -7.021 1.00 1.00 H new ATOM 0 HG LEU A 13 7.550 3.311 -4.005 1.00 1.00 H new ATOM 0 HD11 LEU A 13 6.267 5.476 -4.396 1.00 1.00 H new ATOM 0 HD12 LEU A 13 7.882 5.532 -5.141 1.00 1.00 H new ATOM 0 HD13 LEU A 13 6.447 5.231 -6.149 1.00 1.00 H new ATOM 0 HD21 LEU A 13 5.091 3.400 -4.091 1.00 1.00 H new ATOM 0 HD22 LEU A 13 5.151 3.120 -5.847 1.00 1.00 H new ATOM 0 HD23 LEU A 13 5.735 1.868 -4.727 1.00 1.00 H new ATOM 179 N ALA A 14 6.881 0.448 -7.737 1.00 1.00 N ATOM 180 CA ALA A 14 5.896 -0.487 -8.287 1.00 1.00 C ATOM 181 C ALA A 14 6.190 -1.947 -7.881 1.00 1.00 C ATOM 182 O ALA A 14 5.271 -2.710 -7.583 1.00 1.00 O ATOM 183 CB ALA A 14 5.828 -0.310 -9.808 1.00 1.00 C ATOM 0 H ALA A 14 7.370 0.991 -8.448 1.00 1.00 H new ATOM 0 HA ALA A 14 4.918 -0.257 -7.864 1.00 1.00 H new ATOM 0 HB1 ALA A 14 5.096 -1.003 -10.223 1.00 1.00 H new ATOM 0 HB2 ALA A 14 5.532 0.713 -10.042 1.00 1.00 H new ATOM 0 HB3 ALA A 14 6.807 -0.513 -10.242 1.00 1.00 H new ATOM 189 N TYR A 15 7.470 -2.329 -7.807 1.00 1.00 N ATOM 190 CA TYR A 15 7.903 -3.622 -7.262 1.00 1.00 C ATOM 191 C TYR A 15 7.647 -3.751 -5.745 1.00 1.00 C ATOM 192 O TYR A 15 7.233 -4.820 -5.292 1.00 1.00 O ATOM 193 CB TYR A 15 9.378 -3.859 -7.621 1.00 1.00 C ATOM 194 CG TYR A 15 9.951 -5.148 -7.064 1.00 1.00 C ATOM 195 CD1 TYR A 15 9.387 -6.383 -7.438 1.00 1.00 C ATOM 196 CD2 TYR A 15 11.029 -5.111 -6.158 1.00 1.00 C ATOM 197 CE1 TYR A 15 9.888 -7.580 -6.894 1.00 1.00 C ATOM 198 CE2 TYR A 15 11.541 -6.309 -5.620 1.00 1.00 C ATOM 199 CZ TYR A 15 10.967 -7.548 -5.984 1.00 1.00 C ATOM 200 OH TYR A 15 11.449 -8.712 -5.466 1.00 1.00 O ATOM 0 H TYR A 15 8.242 -1.744 -8.127 1.00 1.00 H new ATOM 0 HA TYR A 15 7.296 -4.403 -7.721 1.00 1.00 H new ATOM 0 HB2 TYR A 15 9.480 -3.868 -8.706 1.00 1.00 H new ATOM 0 HB3 TYR A 15 9.970 -3.021 -7.252 1.00 1.00 H new ATOM 0 HD1 TYR A 15 8.569 -6.411 -8.143 1.00 1.00 H new ATOM 0 HD2 TYR A 15 11.464 -4.164 -5.875 1.00 1.00 H new ATOM 0 HE1 TYR A 15 9.446 -8.525 -7.173 1.00 1.00 H new ATOM 0 HE2 TYR A 15 12.371 -6.280 -4.930 1.00 1.00 H new ATOM 0 HH TYR A 15 12.192 -8.516 -4.857 1.00 1.00 H new ATOM 210 N ARG A 16 7.806 -2.675 -4.954 1.00 1.00 N ATOM 211 CA ARG A 16 7.404 -2.669 -3.531 1.00 1.00 C ATOM 212 C ARG A 16 5.898 -2.822 -3.350 1.00 1.00 C ATOM 213 O ARG A 16 5.473 -3.569 -2.474 1.00 1.00 O ATOM 214 CB ARG A 16 7.887 -1.418 -2.765 1.00 1.00 C ATOM 215 CG ARG A 16 9.398 -1.122 -2.760 1.00 1.00 C ATOM 216 CD ARG A 16 10.315 -2.352 -2.782 1.00 1.00 C ATOM 217 NE ARG A 16 10.071 -3.250 -1.633 1.00 1.00 N ATOM 218 CZ ARG A 16 9.962 -4.570 -1.655 1.00 1.00 C ATOM 219 NH1 ARG A 16 10.063 -5.281 -2.747 1.00 1.00 N ATOM 220 NH2 ARG A 16 9.730 -5.227 -0.551 1.00 1.00 N ATOM 0 H ARG A 16 8.211 -1.795 -5.275 1.00 1.00 H new ATOM 0 HA ARG A 16 7.901 -3.539 -3.102 1.00 1.00 H new ATOM 0 HB2 ARG A 16 7.377 -0.551 -3.183 1.00 1.00 H new ATOM 0 HB3 ARG A 16 7.560 -1.512 -1.729 1.00 1.00 H new ATOM 0 HG2 ARG A 16 9.631 -0.502 -3.625 1.00 1.00 H new ATOM 0 HG3 ARG A 16 9.632 -0.533 -1.873 1.00 1.00 H new ATOM 0 HD2 ARG A 16 10.160 -2.902 -3.710 1.00 1.00 H new ATOM 0 HD3 ARG A 16 11.356 -2.028 -2.773 1.00 1.00 H new ATOM 0 HE ARG A 16 9.976 -2.803 -0.721 1.00 1.00 H new ATOM 0 HH11 ARG A 16 10.234 -4.821 -3.641 1.00 1.00 H new ATOM 0 HH12 ARG A 16 9.971 -6.296 -2.705 1.00 1.00 H new ATOM 0 HH21 ARG A 16 9.632 -4.724 0.331 1.00 1.00 H new ATOM 0 HH22 ARG A 16 9.646 -6.243 -0.570 1.00 1.00 H new ATOM 234 N GLU A 17 5.089 -2.180 -4.192 1.00 1.00 N ATOM 235 CA GLU A 17 3.641 -2.413 -4.233 1.00 1.00 C ATOM 236 C GLU A 17 3.315 -3.864 -4.605 1.00 1.00 C ATOM 237 O GLU A 17 2.515 -4.495 -3.924 1.00 1.00 O ATOM 238 CB GLU A 17 2.951 -1.449 -5.211 1.00 1.00 C ATOM 239 CG GLU A 17 2.826 -0.029 -4.647 1.00 1.00 C ATOM 240 CD GLU A 17 2.081 0.888 -5.626 1.00 1.00 C ATOM 241 OE1 GLU A 17 2.689 1.276 -6.652 1.00 1.00 O ATOM 242 OE2 GLU A 17 0.896 1.198 -5.359 1.00 1.00 O ATOM 0 H GLU A 17 5.415 -1.485 -4.864 1.00 1.00 H new ATOM 0 HA GLU A 17 3.258 -2.224 -3.230 1.00 1.00 H new ATOM 0 HB2 GLU A 17 3.515 -1.418 -6.143 1.00 1.00 H new ATOM 0 HB3 GLU A 17 1.958 -1.830 -5.451 1.00 1.00 H new ATOM 0 HG2 GLU A 17 2.296 -0.057 -3.695 1.00 1.00 H new ATOM 0 HG3 GLU A 17 3.818 0.376 -4.448 1.00 1.00 H new ATOM 249 N ASP A 18 3.966 -4.435 -5.620 1.00 1.00 N ATOM 250 CA ASP A 18 3.733 -5.820 -6.052 1.00 1.00 C ATOM 251 C ASP A 18 4.017 -6.863 -4.950 1.00 1.00 C ATOM 252 O ASP A 18 3.469 -7.964 -4.995 1.00 1.00 O ATOM 253 CB ASP A 18 4.550 -6.104 -7.320 1.00 1.00 C ATOM 254 CG ASP A 18 4.234 -7.482 -7.916 1.00 1.00 C ATOM 255 OD1 ASP A 18 3.082 -7.669 -8.373 1.00 1.00 O ATOM 256 OD2 ASP A 18 5.150 -8.339 -7.935 1.00 1.00 O ATOM 0 H ASP A 18 4.674 -3.949 -6.170 1.00 1.00 H new ATOM 0 HA ASP A 18 2.670 -5.919 -6.273 1.00 1.00 H new ATOM 0 HB2 ASP A 18 4.345 -5.333 -8.063 1.00 1.00 H new ATOM 0 HB3 ASP A 18 5.613 -6.046 -7.086 1.00 1.00 H new ATOM 273 N LEU A 20 2.828 -6.455 -1.858 1.00 1.00 N ATOM 274 CA LEU A 20 1.496 -6.478 -1.236 1.00 1.00 C ATOM 275 C LEU A 20 0.490 -7.321 -2.045 1.00 1.00 C ATOM 276 O LEU A 20 -0.456 -7.863 -1.473 1.00 1.00 O ATOM 277 CB LEU A 20 0.943 -5.049 -1.041 1.00 1.00 C ATOM 278 CG LEU A 20 1.599 -4.204 0.066 1.00 1.00 C ATOM 279 CD1 LEU A 20 3.063 -3.836 -0.176 1.00 1.00 C ATOM 280 CD2 LEU A 20 0.821 -2.893 0.219 1.00 1.00 C ATOM 0 HA LEU A 20 1.620 -6.946 -0.260 1.00 1.00 H new ATOM 0 HB2 LEU A 20 1.044 -4.513 -1.985 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -0.123 -5.122 -0.828 1.00 1.00 H new ATOM 0 HG LEU A 20 1.572 -4.831 0.957 1.00 1.00 H new ATOM 0 HD11 LEU A 20 3.432 -3.241 0.660 1.00 1.00 H new ATOM 0 HD12 LEU A 20 3.657 -4.746 -0.264 1.00 1.00 H new ATOM 0 HD13 LEU A 20 3.146 -3.258 -1.097 1.00 1.00 H new ATOM 0 HD21 LEU A 20 1.279 -2.288 1.001 1.00 1.00 H new ATOM 0 HD22 LEU A 20 0.842 -2.345 -0.723 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -0.212 -3.112 0.488 1.00 1.00 H new ATOM 292 N ARG A 21 0.715 -7.495 -3.356 1.00 1.00 N ATOM 293 CA ARG A 21 -0.082 -8.366 -4.247 1.00 1.00 C ATOM 294 C ARG A 21 0.057 -9.869 -3.929 1.00 1.00 C ATOM 295 O ARG A 21 -0.661 -10.692 -4.492 1.00 1.00 O ATOM 296 CB ARG A 21 0.280 -8.057 -5.713 1.00 1.00 C ATOM 297 CG ARG A 21 -0.901 -8.272 -6.675 1.00 1.00 C ATOM 298 CD ARG A 21 -0.503 -7.998 -8.130 1.00 1.00 C ATOM 299 NE ARG A 21 -0.177 -6.578 -8.366 1.00 1.00 N ATOM 300 CZ ARG A 21 -0.059 -5.998 -9.548 1.00 1.00 C ATOM 301 NH1 ARG A 21 -0.258 -6.638 -10.670 1.00 1.00 N ATOM 302 NH2 ARG A 21 0.248 -4.733 -9.631 1.00 1.00 N ATOM 0 H ARG A 21 1.476 -7.023 -3.844 1.00 1.00 H new ATOM 0 HA ARG A 21 -1.134 -8.141 -4.073 1.00 1.00 H new ATOM 0 HB2 ARG A 21 0.621 -7.025 -5.789 1.00 1.00 H new ATOM 0 HB3 ARG A 21 1.112 -8.691 -6.019 1.00 1.00 H new ATOM 0 HG2 ARG A 21 -1.264 -9.296 -6.583 1.00 1.00 H new ATOM 0 HG3 ARG A 21 -1.724 -7.616 -6.393 1.00 1.00 H new ATOM 0 HD2 ARG A 21 0.358 -8.614 -8.391 1.00 1.00 H new ATOM 0 HD3 ARG A 21 -1.319 -8.295 -8.789 1.00 1.00 H new ATOM 0 HE ARG A 21 -0.030 -5.992 -7.544 1.00 1.00 H new ATOM 0 HH11 ARG A 21 -0.515 -7.625 -10.655 1.00 1.00 H new ATOM 0 HH12 ARG A 21 -0.156 -6.151 -11.560 1.00 1.00 H new ATOM 0 HH21 ARG A 21 0.398 -4.188 -8.782 1.00 1.00 H new ATOM 0 HH22 ARG A 21 0.338 -4.289 -10.545 1.00 1.00 H new ATOM 316 N GLY A 22 0.953 -10.229 -3.005 1.00 1.00 N ATOM 317 CA GLY A 22 1.103 -11.575 -2.441 1.00 1.00 C ATOM 318 C GLY A 22 0.554 -11.714 -1.013 1.00 1.00 C ATOM 319 O GLY A 22 0.916 -12.667 -0.319 1.00 1.00 O ATOM 0 H GLY A 22 1.621 -9.565 -2.614 1.00 1.00 H new ATOM 0 HA2 GLY A 22 0.592 -12.289 -3.088 1.00 1.00 H new ATOM 0 HA3 GLY A 22 2.159 -11.843 -2.442 1.00 1.00 H new ATOM 323 N ARG A 23 -0.292 -10.775 -0.556 1.00 1.00 N ATOM 324 CA ARG A 23 -0.794 -10.678 0.830 1.00 1.00 C ATOM 325 C ARG A 23 -2.316 -10.507 0.884 1.00 1.00 C ATOM 326 O ARG A 23 -2.931 -9.940 -0.023 1.00 1.00 O ATOM 327 CB ARG A 23 -0.166 -9.459 1.547 1.00 1.00 C ATOM 328 CG ARG A 23 1.346 -9.241 1.397 1.00 1.00 C ATOM 329 CD ARG A 23 2.211 -10.294 2.092 1.00 1.00 C ATOM 330 NE ARG A 23 3.636 -10.028 1.829 1.00 1.00 N ATOM 331 CZ ARG A 23 4.666 -10.709 2.299 1.00 1.00 C ATOM 332 NH1 ARG A 23 4.532 -11.755 3.073 1.00 1.00 N ATOM 333 NH2 ARG A 23 5.879 -10.336 1.993 1.00 1.00 N ATOM 0 H ARG A 23 -0.658 -10.038 -1.158 1.00 1.00 H new ATOM 0 HA ARG A 23 -0.517 -11.611 1.322 1.00 1.00 H new ATOM 0 HB2 ARG A 23 -0.671 -8.562 1.188 1.00 1.00 H new ATOM 0 HB3 ARG A 23 -0.388 -9.545 2.611 1.00 1.00 H new ATOM 0 HG2 ARG A 23 1.595 -9.228 0.336 1.00 1.00 H new ATOM 0 HG3 ARG A 23 1.600 -8.259 1.796 1.00 1.00 H new ATOM 0 HD2 ARG A 23 2.022 -10.281 3.165 1.00 1.00 H new ATOM 0 HD3 ARG A 23 1.946 -11.289 1.734 1.00 1.00 H new ATOM 0 HE ARG A 23 3.849 -9.237 1.222 1.00 1.00 H new ATOM 0 HH11 ARG A 23 3.601 -12.077 3.338 1.00 1.00 H new ATOM 0 HH12 ARG A 23 5.358 -12.248 3.411 1.00 1.00 H new ATOM 0 HH21 ARG A 23 6.027 -9.523 1.395 1.00 1.00 H new ATOM 0 HH22 ARG A 23 6.679 -10.857 2.352 1.00 1.00 H new ATOM 347 N LEU A 24 -2.914 -10.968 1.982 1.00 1.00 N ATOM 348 CA LEU A 24 -4.311 -10.686 2.318 1.00 1.00 C ATOM 349 C LEU A 24 -4.393 -9.291 2.967 1.00 1.00 C ATOM 350 O LEU A 24 -3.432 -8.780 3.547 1.00 1.00 O ATOM 351 CB LEU A 24 -4.860 -11.745 3.305 1.00 1.00 C ATOM 352 CG LEU A 24 -5.263 -13.131 2.766 1.00 1.00 C ATOM 353 CD1 LEU A 24 -6.326 -13.052 1.673 1.00 1.00 C ATOM 354 CD2 LEU A 24 -4.084 -13.944 2.230 1.00 1.00 C ATOM 0 H LEU A 24 -2.439 -11.553 2.670 1.00 1.00 H new ATOM 0 HA LEU A 24 -4.910 -10.718 1.408 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -4.105 -11.899 4.076 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -5.734 -11.316 3.795 1.00 1.00 H new ATOM 0 HG LEU A 24 -5.672 -13.642 3.638 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -6.571 -14.057 1.331 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -7.222 -12.575 2.071 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -5.945 -12.467 0.836 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -4.442 -14.908 1.867 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -3.610 -13.402 1.412 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -3.359 -14.103 3.028 1.00 1.00 H new ATOM 366 N GLY A 25 -5.584 -8.710 2.923 1.00 1.00 N ATOM 367 CA GLY A 25 -5.956 -7.436 3.523 1.00 1.00 C ATOM 368 C GLY A 25 -7.344 -7.472 4.166 1.00 1.00 C ATOM 369 O GLY A 25 -8.005 -8.511 4.215 1.00 1.00 O ATOM 0 H GLY A 25 -6.367 -9.145 2.435 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -5.217 -7.164 4.277 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -5.933 -6.658 2.759 1.00 1.00 H new ATOM 373 N LYS A 26 -7.782 -6.316 4.661 1.00 1.00 N ATOM 374 CA LYS A 26 -8.964 -6.107 5.500 1.00 1.00 C ATOM 375 C LYS A 26 -9.610 -4.772 5.147 1.00 1.00 C ATOM 376 O LYS A 26 -8.981 -3.725 5.291 1.00 1.00 O ATOM 377 CB LYS A 26 -8.484 -6.163 6.959 1.00 1.00 C ATOM 378 CG LYS A 26 -9.555 -5.886 8.026 1.00 1.00 C ATOM 379 CD LYS A 26 -10.810 -6.768 7.927 1.00 1.00 C ATOM 380 CE LYS A 26 -10.530 -8.277 7.831 1.00 1.00 C ATOM 381 NZ LYS A 26 -9.769 -8.785 8.992 1.00 1.00 N ATOM 0 H LYS A 26 -7.289 -5.442 4.475 1.00 1.00 H new ATOM 0 HA LYS A 26 -9.726 -6.870 5.341 1.00 1.00 H new ATOM 0 HB2 LYS A 26 -8.060 -7.150 7.145 1.00 1.00 H new ATOM 0 HB3 LYS A 26 -7.678 -5.441 7.084 1.00 1.00 H new ATOM 0 HG2 LYS A 26 -9.109 -6.023 9.011 1.00 1.00 H new ATOM 0 HG3 LYS A 26 -9.856 -4.841 7.955 1.00 1.00 H new ATOM 0 HD2 LYS A 26 -11.437 -6.584 8.800 1.00 1.00 H new ATOM 0 HD3 LYS A 26 -11.384 -6.463 7.052 1.00 1.00 H new ATOM 0 HE2 LYS A 26 -11.475 -8.815 7.756 1.00 1.00 H new ATOM 0 HE3 LYS A 26 -9.973 -8.483 6.917 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 -9.606 -9.806 8.880 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 -8.855 -8.293 9.050 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 -10.310 -8.614 9.863 1.00 1.00 H new ATOM 395 N VAL A 27 -10.830 -4.819 4.617 1.00 1.00 N ATOM 396 CA VAL A 27 -11.584 -3.629 4.172 1.00 1.00 C ATOM 397 C VAL A 27 -12.098 -2.821 5.369 1.00 1.00 C ATOM 398 O VAL A 27 -12.658 -3.381 6.314 1.00 1.00 O ATOM 399 CB VAL A 27 -12.721 -4.021 3.201 1.00 1.00 C ATOM 400 CG1 VAL A 27 -13.593 -2.837 2.776 1.00 1.00 C ATOM 401 CG2 VAL A 27 -12.080 -4.600 1.936 1.00 1.00 C ATOM 0 H VAL A 27 -11.338 -5.693 4.479 1.00 1.00 H new ATOM 0 HA VAL A 27 -10.902 -2.982 3.620 1.00 1.00 H new ATOM 0 HB VAL A 27 -13.362 -4.733 3.722 1.00 1.00 H new ATOM 0 HG11 VAL A 27 -14.370 -3.184 2.095 1.00 1.00 H new ATOM 0 HG12 VAL A 27 -14.055 -2.390 3.657 1.00 1.00 H new ATOM 0 HG13 VAL A 27 -12.976 -2.093 2.273 1.00 1.00 H new ATOM 0 HG21 VAL A 27 -12.860 -4.886 1.231 1.00 1.00 H new ATOM 0 HG22 VAL A 27 -11.435 -3.850 1.479 1.00 1.00 H new ATOM 0 HG23 VAL A 27 -11.488 -5.477 2.197 1.00 1.00 H new ATOM 411 N ILE A 28 -11.923 -1.497 5.307 1.00 1.00 N ATOM 412 CA ILE A 28 -12.213 -0.531 6.393 1.00 1.00 C ATOM 413 C ILE A 28 -13.156 0.611 5.960 1.00 1.00 C ATOM 414 O ILE A 28 -13.710 1.315 6.803 1.00 1.00 O ATOM 415 CB ILE A 28 -10.905 0.039 6.986 1.00 1.00 C ATOM 416 CG1 ILE A 28 -10.176 0.947 5.960 1.00 1.00 C ATOM 417 CG2 ILE A 28 -10.064 -1.107 7.576 1.00 1.00 C ATOM 418 CD1 ILE A 28 -8.648 0.898 5.947 1.00 1.00 C ATOM 0 H ILE A 28 -11.561 -1.042 4.469 1.00 1.00 H new ATOM 0 HA ILE A 28 -12.741 -1.091 7.164 1.00 1.00 H new ATOM 0 HB ILE A 28 -11.119 0.706 7.821 1.00 1.00 H new ATOM 0 HG12 ILE A 28 -10.531 0.684 4.964 1.00 1.00 H new ATOM 0 HG13 ILE A 28 -10.480 1.977 6.145 1.00 1.00 H new ATOM 0 HG21 ILE A 28 -9.142 -0.704 7.994 1.00 1.00 H new ATOM 0 HG22 ILE A 28 -10.630 -1.607 8.362 1.00 1.00 H new ATOM 0 HG23 ILE A 28 -9.823 -1.823 6.791 1.00 1.00 H new ATOM 0 HD11 ILE A 28 -8.269 1.579 5.185 1.00 1.00 H new ATOM 0 HD12 ILE A 28 -8.266 1.197 6.923 1.00 1.00 H new ATOM 0 HD13 ILE A 28 -8.318 -0.117 5.724 1.00 1.00 H new ATOM 430 N THR A 29 -13.380 0.759 4.652 1.00 1.00 N ATOM 431 CA THR A 29 -14.398 1.627 4.037 1.00 1.00 C ATOM 432 C THR A 29 -14.956 0.848 2.851 1.00 1.00 C ATOM 433 O THR A 29 -14.174 0.331 2.054 1.00 1.00 O ATOM 434 CB THR A 29 -13.814 2.972 3.565 1.00 1.00 C ATOM 435 OG1 THR A 29 -13.188 3.660 4.628 1.00 1.00 O ATOM 436 CG2 THR A 29 -14.865 3.904 2.966 1.00 1.00 C ATOM 0 H THR A 29 -12.832 0.254 3.956 1.00 1.00 H new ATOM 0 HA THR A 29 -15.169 1.876 4.766 1.00 1.00 H new ATOM 0 HB THR A 29 -13.091 2.712 2.792 1.00 1.00 H new ATOM 0 HG1 THR A 29 -12.825 4.509 4.299 1.00 1.00 H new ATOM 0 HG21 THR A 29 -14.390 4.834 2.653 1.00 1.00 H new ATOM 0 HG22 THR A 29 -15.327 3.424 2.103 1.00 1.00 H new ATOM 0 HG23 THR A 29 -15.628 4.120 3.714 1.00 1.00 H new ATOM 444 N ALA A 30 -16.280 0.716 2.759 1.00 1.00 N ATOM 445 CA ALA A 30 -16.949 -0.177 1.812 1.00 1.00 C ATOM 446 C ALA A 30 -16.541 0.065 0.346 1.00 1.00 C ATOM 447 O ALA A 30 -16.466 1.205 -0.117 1.00 1.00 O ATOM 448 CB ALA A 30 -18.465 -0.055 2.004 1.00 1.00 C ATOM 0 H ALA A 30 -16.929 1.235 3.351 1.00 1.00 H new ATOM 0 HA ALA A 30 -16.628 -1.196 2.028 1.00 1.00 H new ATOM 0 HB1 ALA A 30 -18.975 -0.716 1.303 1.00 1.00 H new ATOM 0 HB2 ALA A 30 -18.726 -0.336 3.024 1.00 1.00 H new ATOM 0 HB3 ALA A 30 -18.773 0.974 1.821 1.00 1.00 H new ATOM 454 N VAL A 31 -16.325 -1.029 -0.385 1.00 1.00 N ATOM 455 CA VAL A 31 -15.838 -1.072 -1.771 1.00 1.00 C ATOM 456 C VAL A 31 -16.931 -1.710 -2.642 1.00 1.00 C ATOM 457 O VAL A 31 -17.014 -2.939 -2.707 1.00 1.00 O ATOM 458 CB VAL A 31 -14.520 -1.872 -1.871 1.00 1.00 C ATOM 459 CG1 VAL A 31 -13.980 -1.853 -3.299 1.00 1.00 C ATOM 460 CG2 VAL A 31 -13.402 -1.356 -0.959 1.00 1.00 C ATOM 0 H VAL A 31 -16.493 -1.962 -0.009 1.00 1.00 H new ATOM 0 HA VAL A 31 -15.626 -0.061 -2.119 1.00 1.00 H new ATOM 0 HB VAL A 31 -14.787 -2.879 -1.551 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -13.052 -2.423 -3.345 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -14.713 -2.299 -3.971 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -13.789 -0.824 -3.602 1.00 1.00 H new ATOM 0 HG21 VAL A 31 -12.512 -1.972 -1.090 1.00 1.00 H new ATOM 0 HG22 VAL A 31 -13.169 -0.323 -1.217 1.00 1.00 H new ATOM 0 HG23 VAL A 31 -13.728 -1.406 0.080 1.00 1.00 H new ATOM 470 N PRO A 32 -17.832 -0.926 -3.263 1.00 1.00 N ATOM 471 CA PRO A 32 -18.923 -1.476 -4.063 1.00 1.00 C ATOM 472 C PRO A 32 -18.454 -2.005 -5.429 1.00 1.00 C ATOM 473 O PRO A 32 -17.312 -1.802 -5.847 1.00 1.00 O ATOM 474 CB PRO A 32 -19.944 -0.341 -4.181 1.00 1.00 C ATOM 475 CG PRO A 32 -19.055 0.889 -4.176 1.00 1.00 C ATOM 476 CD PRO A 32 -17.935 0.523 -3.202 1.00 1.00 C ATOM 0 HA PRO A 32 -19.360 -2.355 -3.589 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -20.532 -0.415 -5.096 1.00 1.00 H new ATOM 0 HB3 PRO A 32 -20.648 -0.338 -3.349 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -18.666 1.106 -5.171 1.00 1.00 H new ATOM 0 HG3 PRO A 32 -19.599 1.775 -3.847 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -16.995 0.996 -3.487 1.00 1.00 H new ATOM 0 HD3 PRO A 32 -18.167 0.859 -2.191 1.00 1.00 H new ATOM 484 N VAL A 33 -19.378 -2.667 -6.137 1.00 1.00 N ATOM 485 CA VAL A 33 -19.133 -3.447 -7.368 1.00 1.00 C ATOM 486 C VAL A 33 -18.408 -2.701 -8.498 1.00 1.00 C ATOM 487 O VAL A 33 -17.715 -3.327 -9.298 1.00 1.00 O ATOM 488 CB VAL A 33 -20.450 -4.040 -7.916 1.00 1.00 C ATOM 489 CG1 VAL A 33 -21.151 -4.949 -6.900 1.00 1.00 C ATOM 490 CG2 VAL A 33 -21.464 -2.975 -8.361 1.00 1.00 C ATOM 0 H VAL A 33 -20.360 -2.677 -5.860 1.00 1.00 H new ATOM 0 HA VAL A 33 -18.450 -4.234 -7.046 1.00 1.00 H new ATOM 0 HB VAL A 33 -20.134 -4.618 -8.785 1.00 1.00 H new ATOM 0 HG11 VAL A 33 -22.071 -5.339 -7.335 1.00 1.00 H new ATOM 0 HG12 VAL A 33 -20.493 -5.778 -6.638 1.00 1.00 H new ATOM 0 HG13 VAL A 33 -21.388 -4.377 -6.003 1.00 1.00 H new ATOM 0 HG21 VAL A 33 -22.364 -3.463 -8.734 1.00 1.00 H new ATOM 0 HG22 VAL A 33 -21.721 -2.340 -7.513 1.00 1.00 H new ATOM 0 HG23 VAL A 33 -21.028 -2.365 -9.152 1.00 1.00 H new ATOM 500 N ASP A 34 -18.546 -1.376 -8.557 1.00 1.00 N ATOM 501 CA ASP A 34 -17.949 -0.497 -9.574 1.00 1.00 C ATOM 502 C ASP A 34 -17.485 0.842 -8.953 1.00 1.00 C ATOM 503 O ASP A 34 -17.545 1.897 -9.588 1.00 1.00 O ATOM 504 CB ASP A 34 -18.964 -0.323 -10.722 1.00 1.00 C ATOM 505 CG ASP A 34 -18.380 0.387 -11.952 1.00 1.00 C ATOM 506 OD1 ASP A 34 -17.253 0.023 -12.368 1.00 1.00 O ATOM 507 OD2 ASP A 34 -19.077 1.272 -12.506 1.00 1.00 O ATOM 0 H ASP A 34 -19.098 -0.861 -7.872 1.00 1.00 H new ATOM 0 HA ASP A 34 -17.046 -0.947 -9.986 1.00 1.00 H new ATOM 0 HB2 ASP A 34 -19.335 -1.304 -11.020 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -19.820 0.244 -10.357 1.00 1.00 H new ATOM 512 N GLY A 35 -17.064 0.806 -7.682 1.00 1.00 N ATOM 513 CA GLY A 35 -16.690 1.987 -6.888 1.00 1.00 C ATOM 514 C GLY A 35 -15.450 1.785 -6.012 1.00 1.00 C ATOM 515 O GLY A 35 -14.691 0.828 -6.187 1.00 1.00 O ATOM 0 H GLY A 35 -16.971 -0.067 -7.163 1.00 1.00 H new ATOM 0 HA2 GLY A 35 -16.512 2.824 -7.563 1.00 1.00 H new ATOM 0 HA3 GLY A 35 -17.530 2.264 -6.251 1.00 1.00 H new ATOM 519 N PHE A 36 -15.256 2.699 -5.055 1.00 1.00 N ATOM 520 CA PHE A 36 -14.035 2.824 -4.251 1.00 1.00 C ATOM 521 C PHE A 36 -14.331 2.863 -2.744 1.00 1.00 C ATOM 522 O PHE A 36 -15.327 3.441 -2.300 1.00 1.00 O ATOM 523 CB PHE A 36 -13.255 4.101 -4.621 1.00 1.00 C ATOM 524 CG PHE A 36 -12.918 4.315 -6.087 1.00 1.00 C ATOM 525 CD1 PHE A 36 -13.907 4.763 -6.985 1.00 1.00 C ATOM 526 CD2 PHE A 36 -11.600 4.125 -6.547 1.00 1.00 C ATOM 527 CE1 PHE A 36 -13.593 4.972 -8.340 1.00 1.00 C ATOM 528 CE2 PHE A 36 -11.283 4.345 -7.899 1.00 1.00 C ATOM 529 CZ PHE A 36 -12.281 4.760 -8.798 1.00 1.00 C ATOM 0 H PHE A 36 -15.964 3.392 -4.811 1.00 1.00 H new ATOM 0 HA PHE A 36 -13.438 1.939 -4.473 1.00 1.00 H new ATOM 0 HB2 PHE A 36 -13.833 4.960 -4.280 1.00 1.00 H new ATOM 0 HB3 PHE A 36 -12.322 4.101 -4.058 1.00 1.00 H new ATOM 0 HD1 PHE A 36 -14.911 4.947 -6.631 1.00 1.00 H new ATOM 0 HD2 PHE A 36 -10.830 3.809 -5.858 1.00 1.00 H new ATOM 0 HE1 PHE A 36 -14.360 5.295 -9.028 1.00 1.00 H new ATOM 0 HE2 PHE A 36 -10.272 4.195 -8.247 1.00 1.00 H new ATOM 0 HZ PHE A 36 -12.040 4.916 -9.839 1.00 1.00 H new ATOM 539 N GLY A 37 -13.417 2.283 -1.969 1.00 1.00 N ATOM 540 CA GLY A 37 -13.354 2.318 -0.507 1.00 1.00 C ATOM 541 C GLY A 37 -11.898 2.229 -0.043 1.00 1.00 C ATOM 542 O GLY A 37 -11.010 2.784 -0.689 1.00 1.00 O ATOM 0 H GLY A 37 -12.651 1.741 -2.370 1.00 1.00 H new ATOM 0 HA2 GLY A 37 -13.806 3.238 -0.137 1.00 1.00 H new ATOM 0 HA3 GLY A 37 -13.928 1.491 -0.090 1.00 1.00 H new ATOM 546 N GLU A 38 -11.631 1.542 1.067 1.00 1.00 N ATOM 547 CA GLU A 38 -10.293 1.456 1.677 1.00 1.00 C ATOM 548 C GLU A 38 -10.011 0.082 2.297 1.00 1.00 C ATOM 549 O GLU A 38 -10.920 -0.625 2.737 1.00 1.00 O ATOM 550 CB GLU A 38 -10.120 2.525 2.771 1.00 1.00 C ATOM 551 CG GLU A 38 -9.961 3.957 2.248 1.00 1.00 C ATOM 552 CD GLU A 38 -9.812 4.968 3.395 1.00 1.00 C ATOM 553 OE1 GLU A 38 -8.888 4.791 4.226 1.00 1.00 O ATOM 554 OE2 GLU A 38 -10.601 5.942 3.429 1.00 1.00 O ATOM 0 H GLU A 38 -12.343 1.021 1.579 1.00 1.00 H new ATOM 0 HA GLU A 38 -9.584 1.622 0.866 1.00 1.00 H new ATOM 0 HB2 GLU A 38 -10.984 2.489 3.435 1.00 1.00 H new ATOM 0 HB3 GLU A 38 -9.246 2.273 3.371 1.00 1.00 H new ATOM 0 HG2 GLU A 38 -9.087 4.012 1.599 1.00 1.00 H new ATOM 0 HG3 GLU A 38 -10.827 4.221 1.641 1.00 1.00 H new ATOM 561 N VAL A 39 -8.726 -0.257 2.394 1.00 1.00 N ATOM 562 CA VAL A 39 -8.190 -1.543 2.867 1.00 1.00 C ATOM 563 C VAL A 39 -6.875 -1.352 3.638 1.00 1.00 C ATOM 564 O VAL A 39 -6.174 -0.359 3.450 1.00 1.00 O ATOM 565 CB VAL A 39 -8.001 -2.473 1.643 1.00 1.00 C ATOM 566 CG1 VAL A 39 -6.802 -2.073 0.774 1.00 1.00 C ATOM 567 CG2 VAL A 39 -7.864 -3.949 2.016 1.00 1.00 C ATOM 0 H VAL A 39 -7.985 0.392 2.131 1.00 1.00 H new ATOM 0 HA VAL A 39 -8.892 -1.998 3.565 1.00 1.00 H new ATOM 0 HB VAL A 39 -8.919 -2.345 1.070 1.00 1.00 H new ATOM 0 HG11 VAL A 39 -6.718 -2.759 -0.069 1.00 1.00 H new ATOM 0 HG12 VAL A 39 -6.944 -1.058 0.403 1.00 1.00 H new ATOM 0 HG13 VAL A 39 -5.890 -2.117 1.370 1.00 1.00 H new ATOM 0 HG21 VAL A 39 -7.735 -4.543 1.111 1.00 1.00 H new ATOM 0 HG22 VAL A 39 -6.998 -4.082 2.664 1.00 1.00 H new ATOM 0 HG23 VAL A 39 -8.762 -4.277 2.540 1.00 1.00 H new ATOM 577 N VAL A 40 -6.516 -2.325 4.474 1.00 1.00 N ATOM 578 CA VAL A 40 -5.205 -2.461 5.149 1.00 1.00 C ATOM 579 C VAL A 40 -4.683 -3.873 4.896 1.00 1.00 C ATOM 580 O VAL A 40 -5.481 -4.805 4.865 1.00 1.00 O ATOM 581 CB VAL A 40 -5.279 -2.271 6.685 1.00 1.00 C ATOM 582 CG1 VAL A 40 -3.928 -1.800 7.231 1.00 1.00 C ATOM 583 CG2 VAL A 40 -6.332 -1.268 7.146 1.00 1.00 C ATOM 0 H VAL A 40 -7.155 -3.082 4.718 1.00 1.00 H new ATOM 0 HA VAL A 40 -4.558 -1.683 4.744 1.00 1.00 H new ATOM 0 HB VAL A 40 -5.558 -3.251 7.072 1.00 1.00 H new ATOM 0 HG11 VAL A 40 -3.997 -1.671 8.311 1.00 1.00 H new ATOM 0 HG12 VAL A 40 -3.164 -2.543 7.002 1.00 1.00 H new ATOM 0 HG13 VAL A 40 -3.660 -0.850 6.769 1.00 1.00 H new ATOM 0 HG21 VAL A 40 -6.315 -1.197 8.234 1.00 1.00 H new ATOM 0 HG22 VAL A 40 -6.116 -0.290 6.715 1.00 1.00 H new ATOM 0 HG23 VAL A 40 -7.318 -1.599 6.819 1.00 1.00 H new ATOM 593 N ILE A 41 -3.373 -4.075 4.747 1.00 1.00 N ATOM 594 CA ILE A 41 -2.790 -5.431 4.690 1.00 1.00 C ATOM 595 C ILE A 41 -2.844 -6.079 6.083 1.00 1.00 C ATOM 596 O ILE A 41 -2.747 -5.392 7.099 1.00 1.00 O ATOM 597 CB ILE A 41 -1.362 -5.367 4.110 1.00 1.00 C ATOM 598 CG1 ILE A 41 -1.369 -4.801 2.677 1.00 1.00 C ATOM 599 CG2 ILE A 41 -0.626 -6.719 4.120 1.00 1.00 C ATOM 600 CD1 ILE A 41 -2.220 -5.546 1.640 1.00 1.00 C ATOM 0 H ILE A 41 -2.690 -3.322 4.663 1.00 1.00 H new ATOM 0 HA ILE A 41 -3.373 -6.064 4.021 1.00 1.00 H new ATOM 0 HB ILE A 41 -0.814 -4.698 4.773 1.00 1.00 H new ATOM 0 HG12 ILE A 41 -1.716 -3.769 2.722 1.00 1.00 H new ATOM 0 HG13 ILE A 41 -0.340 -4.776 2.317 1.00 1.00 H new ATOM 0 HG21 ILE A 41 0.371 -6.594 3.697 1.00 1.00 H new ATOM 0 HG22 ILE A 41 -0.543 -7.080 5.145 1.00 1.00 H new ATOM 0 HG23 ILE A 41 -1.184 -7.442 3.525 1.00 1.00 H new ATOM 0 HD11 ILE A 41 -2.138 -5.046 0.675 1.00 1.00 H new ATOM 0 HD12 ILE A 41 -1.865 -6.573 1.548 1.00 1.00 H new ATOM 0 HD13 ILE A 41 -3.262 -5.549 1.959 1.00 1.00 H new ATOM 612 N GLU A 42 -2.999 -7.404 6.134 1.00 1.00 N ATOM 613 CA GLU A 42 -3.289 -8.176 7.363 1.00 1.00 C ATOM 614 C GLU A 42 -2.252 -8.079 8.504 1.00 1.00 C ATOM 615 O GLU A 42 -2.566 -8.438 9.640 1.00 1.00 O ATOM 616 CB GLU A 42 -3.561 -9.650 7.000 1.00 1.00 C ATOM 617 CG GLU A 42 -5.012 -9.904 6.563 1.00 1.00 C ATOM 618 CD GLU A 42 -5.977 -9.942 7.757 1.00 1.00 C ATOM 619 OE1 GLU A 42 -6.437 -8.856 8.180 1.00 1.00 O ATOM 620 OE2 GLU A 42 -6.253 -11.059 8.253 1.00 1.00 O ATOM 0 H GLU A 42 -2.926 -7.993 5.304 1.00 1.00 H new ATOM 0 HA GLU A 42 -4.175 -7.700 7.783 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -2.888 -9.951 6.197 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -3.331 -10.278 7.860 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -5.324 -9.122 5.870 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -5.067 -10.849 6.023 1.00 1.00 H new ATOM 681 N ILE A 48 -0.089 -0.265 6.655 1.00 1.00 N ATOM 682 CA ILE A 48 -0.641 1.077 6.381 1.00 1.00 C ATOM 683 C ILE A 48 -1.875 0.952 5.467 1.00 1.00 C ATOM 684 O ILE A 48 -1.892 0.133 4.544 1.00 1.00 O ATOM 685 CB ILE A 48 0.467 1.974 5.763 1.00 1.00 C ATOM 686 CG1 ILE A 48 1.619 2.193 6.775 1.00 1.00 C ATOM 687 CG2 ILE A 48 -0.093 3.328 5.287 1.00 1.00 C ATOM 688 CD1 ILE A 48 2.826 2.967 6.227 1.00 1.00 C ATOM 0 HA ILE A 48 -0.969 1.551 7.306 1.00 1.00 H new ATOM 0 HB ILE A 48 0.859 1.453 4.890 1.00 1.00 H new ATOM 0 HG12 ILE A 48 1.226 2.728 7.640 1.00 1.00 H new ATOM 0 HG13 ILE A 48 1.961 1.221 7.130 1.00 1.00 H new ATOM 0 HG21 ILE A 48 0.713 3.926 4.861 1.00 1.00 H new ATOM 0 HG22 ILE A 48 -0.858 3.159 4.530 1.00 1.00 H new ATOM 0 HG23 ILE A 48 -0.530 3.858 6.133 1.00 1.00 H new ATOM 0 HD11 ILE A 48 3.578 3.069 7.009 1.00 1.00 H new ATOM 0 HD12 ILE A 48 3.252 2.426 5.382 1.00 1.00 H new ATOM 0 HD13 ILE A 48 2.506 3.956 5.900 1.00 1.00 H new ATOM 700 N SER A 49 -2.916 1.750 5.728 1.00 1.00 N ATOM 701 CA SER A 49 -4.155 1.790 4.935 1.00 1.00 C ATOM 702 C SER A 49 -3.967 2.414 3.542 1.00 1.00 C ATOM 703 O SER A 49 -3.134 3.302 3.342 1.00 1.00 O ATOM 704 CB SER A 49 -5.257 2.548 5.689 1.00 1.00 C ATOM 705 OG SER A 49 -4.796 3.807 6.156 1.00 1.00 O ATOM 0 H SER A 49 -2.923 2.401 6.513 1.00 1.00 H new ATOM 0 HA SER A 49 -4.449 0.751 4.787 1.00 1.00 H new ATOM 0 HB2 SER A 49 -6.114 2.694 5.032 1.00 1.00 H new ATOM 0 HB3 SER A 49 -5.600 1.949 6.533 1.00 1.00 H new ATOM 0 HG SER A 49 -5.521 4.265 6.630 1.00 1.00 H new ATOM 711 N LYS A 50 -4.776 1.963 2.574 1.00 1.00 N ATOM 712 CA LYS A 50 -4.763 2.373 1.157 1.00 1.00 C ATOM 713 C LYS A 50 -6.185 2.431 0.586 1.00 1.00 C ATOM 714 O LYS A 50 -7.103 1.819 1.134 1.00 1.00 O ATOM 715 CB LYS A 50 -3.939 1.362 0.330 1.00 1.00 C ATOM 716 CG LYS A 50 -2.477 1.142 0.761 1.00 1.00 C ATOM 717 CD LYS A 50 -1.582 2.361 0.499 1.00 1.00 C ATOM 718 CE LYS A 50 -0.181 2.096 1.056 1.00 1.00 C ATOM 719 NZ LYS A 50 0.707 3.258 0.841 1.00 1.00 N ATOM 0 H LYS A 50 -5.496 1.266 2.765 1.00 1.00 H new ATOM 0 HA LYS A 50 -4.316 3.366 1.099 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -4.451 0.400 0.361 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -3.941 1.691 -0.709 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -2.450 0.901 1.824 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -2.073 0.281 0.228 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -1.527 2.562 -0.571 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -2.010 3.247 0.968 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -0.246 1.876 2.122 1.00 1.00 H new ATOM 0 HE3 LYS A 50 0.244 1.216 0.574 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 1.650 3.051 1.228 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 0.786 3.451 -0.178 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 0.311 4.091 1.321 1.00 1.00 H new ATOM 733 N SER A 51 -6.363 3.134 -0.534 1.00 1.00 N ATOM 734 CA SER A 51 -7.608 3.104 -1.319 1.00 1.00 C ATOM 735 C SER A 51 -7.786 1.737 -1.992 1.00 1.00 C ATOM 736 O SER A 51 -6.800 1.059 -2.299 1.00 1.00 O ATOM 737 CB SER A 51 -7.572 4.222 -2.366 1.00 1.00 C ATOM 738 OG SER A 51 -8.788 4.276 -3.092 1.00 1.00 O ATOM 0 H SER A 51 -5.647 3.744 -0.928 1.00 1.00 H new ATOM 0 HA SER A 51 -8.458 3.263 -0.655 1.00 1.00 H new ATOM 0 HB2 SER A 51 -7.394 5.179 -1.876 1.00 1.00 H new ATOM 0 HB3 SER A 51 -6.741 4.056 -3.052 1.00 1.00 H new ATOM 0 HG SER A 51 -8.742 4.998 -3.753 1.00 1.00 H new ATOM 744 N ALA A 52 -9.033 1.323 -2.224 1.00 1.00 N ATOM 745 CA ALA A 52 -9.355 0.012 -2.794 1.00 1.00 C ATOM 746 C ALA A 52 -10.557 0.024 -3.758 1.00 1.00 C ATOM 747 O ALA A 52 -11.526 0.755 -3.542 1.00 1.00 O ATOM 748 CB ALA A 52 -9.595 -0.969 -1.640 1.00 1.00 C ATOM 0 H ALA A 52 -9.855 1.892 -2.020 1.00 1.00 H new ATOM 0 HA ALA A 52 -8.507 -0.299 -3.404 1.00 1.00 H new ATOM 0 HB1 ALA A 52 -9.837 -1.953 -2.043 1.00 1.00 H new ATOM 0 HB2 ALA A 52 -8.695 -1.038 -1.028 1.00 1.00 H new ATOM 0 HB3 ALA A 52 -10.424 -0.614 -1.027 1.00 1.00 H new ATOM 754 N VAL A 53 -10.517 -0.848 -4.773 1.00 1.00 N ATOM 755 CA VAL A 53 -11.601 -1.154 -5.734 1.00 1.00 C ATOM 756 C VAL A 53 -11.845 -2.668 -5.841 1.00 1.00 C ATOM 757 O VAL A 53 -10.946 -3.465 -5.562 1.00 1.00 O ATOM 758 CB VAL A 53 -11.320 -0.584 -7.142 1.00 1.00 C ATOM 759 CG1 VAL A 53 -11.198 0.940 -7.108 1.00 1.00 C ATOM 760 CG2 VAL A 53 -10.068 -1.160 -7.818 1.00 1.00 C ATOM 0 H VAL A 53 -9.678 -1.396 -4.963 1.00 1.00 H new ATOM 0 HA VAL A 53 -12.495 -0.670 -5.341 1.00 1.00 H new ATOM 0 HB VAL A 53 -12.181 -0.888 -7.737 1.00 1.00 H new ATOM 0 HG11 VAL A 53 -11.000 1.312 -8.113 1.00 1.00 H new ATOM 0 HG12 VAL A 53 -12.128 1.371 -6.738 1.00 1.00 H new ATOM 0 HG13 VAL A 53 -10.378 1.225 -6.448 1.00 1.00 H new ATOM 0 HG21 VAL A 53 -9.944 -0.707 -8.802 1.00 1.00 H new ATOM 0 HG22 VAL A 53 -9.192 -0.944 -7.206 1.00 1.00 H new ATOM 0 HG23 VAL A 53 -10.177 -2.239 -7.927 1.00 1.00 H new ATOM 770 N SER A 54 -13.043 -3.088 -6.268 1.00 1.00 N ATOM 771 CA SER A 54 -13.327 -4.506 -6.539 1.00 1.00 C ATOM 772 C SER A 54 -12.717 -4.947 -7.873 1.00 1.00 C ATOM 773 O SER A 54 -13.036 -4.394 -8.929 1.00 1.00 O ATOM 774 CB SER A 54 -14.830 -4.791 -6.550 1.00 1.00 C ATOM 775 OG SER A 54 -15.014 -6.196 -6.663 1.00 1.00 O ATOM 0 H SER A 54 -13.834 -2.465 -6.434 1.00 1.00 H new ATOM 0 HA SER A 54 -12.871 -5.077 -5.730 1.00 1.00 H new ATOM 0 HB2 SER A 54 -15.294 -4.419 -5.637 1.00 1.00 H new ATOM 0 HB3 SER A 54 -15.309 -4.277 -7.383 1.00 1.00 H new ATOM 0 HG SER A 54 -15.315 -6.557 -5.803 1.00 1.00 H new ATOM 781 N PHE A 55 -11.856 -5.967 -7.837 1.00 1.00 N ATOM 782 CA PHE A 55 -11.332 -6.638 -9.035 1.00 1.00 C ATOM 783 C PHE A 55 -12.331 -7.632 -9.660 1.00 1.00 C ATOM 784 O PHE A 55 -12.226 -7.965 -10.841 1.00 1.00 O ATOM 785 CB PHE A 55 -10.052 -7.381 -8.647 1.00 1.00 C ATOM 786 CG PHE A 55 -9.262 -7.939 -9.821 1.00 1.00 C ATOM 787 CD1 PHE A 55 -8.463 -7.086 -10.607 1.00 1.00 C ATOM 788 CD2 PHE A 55 -9.310 -9.316 -10.121 1.00 1.00 C ATOM 789 CE1 PHE A 55 -7.709 -7.606 -11.675 1.00 1.00 C ATOM 790 CE2 PHE A 55 -8.554 -9.836 -11.186 1.00 1.00 C ATOM 791 CZ PHE A 55 -7.750 -8.982 -11.962 1.00 1.00 C ATOM 0 H PHE A 55 -11.497 -6.357 -6.965 1.00 1.00 H new ATOM 0 HA PHE A 55 -11.141 -5.873 -9.788 1.00 1.00 H new ATOM 0 HB2 PHE A 55 -9.411 -6.703 -8.084 1.00 1.00 H new ATOM 0 HB3 PHE A 55 -10.313 -8.202 -7.979 1.00 1.00 H new ATOM 0 HD1 PHE A 55 -8.429 -6.029 -10.389 1.00 1.00 H new ATOM 0 HD2 PHE A 55 -9.930 -9.974 -9.530 1.00 1.00 H new ATOM 0 HE1 PHE A 55 -7.098 -6.948 -12.275 1.00 1.00 H new ATOM 0 HE2 PHE A 55 -8.591 -10.892 -11.408 1.00 1.00 H new ATOM 0 HZ PHE A 55 -7.165 -9.382 -12.777 1.00 1.00 H new ATOM 801 N ASP A 56 -13.315 -8.094 -8.880 1.00 1.00 N ATOM 802 CA ASP A 56 -14.218 -9.199 -9.232 1.00 1.00 C ATOM 803 C ASP A 56 -15.698 -8.771 -9.323 1.00 1.00 C ATOM 804 O ASP A 56 -16.594 -9.615 -9.371 1.00 1.00 O ATOM 805 CB ASP A 56 -13.980 -10.340 -8.228 1.00 1.00 C ATOM 806 CG ASP A 56 -14.617 -11.663 -8.667 1.00 1.00 C ATOM 807 OD1 ASP A 56 -14.271 -12.146 -9.772 1.00 1.00 O ATOM 808 OD2 ASP A 56 -15.428 -12.211 -7.883 1.00 1.00 O ATOM 0 H ASP A 56 -13.512 -7.699 -7.960 1.00 1.00 H new ATOM 0 HA ASP A 56 -13.988 -9.546 -10.239 1.00 1.00 H new ATOM 0 HB2 ASP A 56 -12.908 -10.485 -8.098 1.00 1.00 H new ATOM 0 HB3 ASP A 56 -14.383 -10.053 -7.257 1.00 1.00 H new ATOM 813 N ASN A 57 -15.957 -7.457 -9.365 1.00 1.00 N ATOM 814 CA ASN A 57 -17.286 -6.845 -9.445 1.00 1.00 C ATOM 815 C ASN A 57 -18.229 -7.333 -8.314 1.00 1.00 C ATOM 816 O ASN A 57 -19.378 -7.717 -8.547 1.00 1.00 O ATOM 817 CB ASN A 57 -17.808 -7.013 -10.893 1.00 1.00 C ATOM 818 CG ASN A 57 -18.937 -6.071 -11.287 1.00 1.00 C ATOM 819 OD1 ASN A 57 -18.750 -5.108 -12.017 1.00 1.00 O ATOM 820 ND2 ASN A 57 -20.151 -6.339 -10.866 1.00 1.00 N ATOM 0 H ASN A 57 -15.211 -6.762 -9.343 1.00 1.00 H new ATOM 0 HA ASN A 57 -17.238 -5.773 -9.252 1.00 1.00 H new ATOM 0 HB2 ASN A 57 -16.976 -6.866 -11.582 1.00 1.00 H new ATOM 0 HB3 ASN A 57 -18.151 -8.040 -11.022 1.00 1.00 H new ATOM 0 HD21 ASN A 57 -20.931 -5.746 -11.148 1.00 1.00 H new ATOM 0 HD22 ASN A 57 -20.314 -7.141 -10.257 1.00 1.00 H new ATOM 827 N GLN A 58 -17.723 -7.323 -7.077 1.00 1.00 N ATOM 828 CA GLN A 58 -18.455 -7.654 -5.846 1.00 1.00 C ATOM 829 C GLN A 58 -18.535 -6.438 -4.908 1.00 1.00 C ATOM 830 O GLN A 58 -17.668 -5.566 -4.925 1.00 1.00 O ATOM 831 CB GLN A 58 -17.780 -8.822 -5.107 1.00 1.00 C ATOM 832 CG GLN A 58 -17.900 -10.170 -5.835 1.00 1.00 C ATOM 833 CD GLN A 58 -17.556 -11.348 -4.918 1.00 1.00 C ATOM 834 OE1 GLN A 58 -18.084 -11.499 -3.823 1.00 1.00 O ATOM 835 NE2 GLN A 58 -16.675 -12.240 -5.314 1.00 1.00 N ATOM 0 H GLN A 58 -16.751 -7.074 -6.896 1.00 1.00 H new ATOM 0 HA GLN A 58 -19.465 -7.947 -6.135 1.00 1.00 H new ATOM 0 HB2 GLN A 58 -16.725 -8.589 -4.966 1.00 1.00 H new ATOM 0 HB3 GLN A 58 -18.221 -8.915 -4.115 1.00 1.00 H new ATOM 0 HG2 GLN A 58 -18.915 -10.289 -6.213 1.00 1.00 H new ATOM 0 HG3 GLN A 58 -17.235 -10.176 -6.699 1.00 1.00 H new ATOM 0 HE21 GLN A 58 -16.220 -12.139 -6.221 1.00 1.00 H new ATOM 0 HE22 GLN A 58 -16.447 -13.033 -4.714 1.00 1.00 H new ATOM 844 N GLN A 59 -19.574 -6.390 -4.070 1.00 1.00 N ATOM 845 CA GLN A 59 -19.706 -5.392 -3.004 1.00 1.00 C ATOM 846 C GLN A 59 -18.976 -5.921 -1.754 1.00 1.00 C ATOM 847 O GLN A 59 -19.272 -7.020 -1.278 1.00 1.00 O ATOM 848 CB GLN A 59 -21.205 -5.121 -2.752 1.00 1.00 C ATOM 849 CG GLN A 59 -21.523 -3.770 -2.082 1.00 1.00 C ATOM 850 CD GLN A 59 -20.913 -3.609 -0.689 1.00 1.00 C ATOM 851 OE1 GLN A 59 -19.980 -2.848 -0.478 1.00 1.00 O ATOM 852 NE2 GLN A 59 -21.399 -4.336 0.294 1.00 1.00 N ATOM 0 H GLN A 59 -20.353 -7.047 -4.112 1.00 1.00 H new ATOM 0 HA GLN A 59 -19.250 -4.442 -3.281 1.00 1.00 H new ATOM 0 HB2 GLN A 59 -21.732 -5.169 -3.705 1.00 1.00 H new ATOM 0 HB3 GLN A 59 -21.603 -5.921 -2.127 1.00 1.00 H new ATOM 0 HG2 GLN A 59 -21.161 -2.965 -2.721 1.00 1.00 H new ATOM 0 HG3 GLN A 59 -22.605 -3.658 -2.009 1.00 1.00 H new ATOM 0 HE21 GLN A 59 -22.178 -4.972 0.121 1.00 1.00 H new ATOM 0 HE22 GLN A 59 -20.997 -4.264 1.229 1.00 1.00 H new ATOM 861 N ILE A 60 -18.020 -5.152 -1.232 1.00 1.00 N ATOM 862 CA ILE A 60 -17.114 -5.548 -0.146 1.00 1.00 C ATOM 863 C ILE A 60 -17.269 -4.570 1.024 1.00 1.00 C ATOM 864 O ILE A 60 -16.671 -3.493 1.045 1.00 1.00 O ATOM 865 CB ILE A 60 -15.642 -5.680 -0.620 1.00 1.00 C ATOM 866 CG1 ILE A 60 -15.469 -6.185 -2.074 1.00 1.00 C ATOM 867 CG2 ILE A 60 -14.939 -6.613 0.371 1.00 1.00 C ATOM 868 CD1 ILE A 60 -14.013 -6.237 -2.559 1.00 1.00 C ATOM 0 H ILE A 60 -17.847 -4.203 -1.563 1.00 1.00 H new ATOM 0 HA ILE A 60 -17.393 -6.545 0.195 1.00 1.00 H new ATOM 0 HB ILE A 60 -15.199 -4.684 -0.636 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -15.901 -7.183 -2.153 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -16.038 -5.537 -2.741 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -13.897 -6.737 0.078 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -14.986 -6.183 1.371 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -15.434 -7.584 0.370 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -13.984 -6.601 -3.586 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -13.579 -5.238 -2.516 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -13.440 -6.909 -1.920 1.00 1.00 H new ATOM 880 N SER A 61 -18.125 -4.926 1.981 1.00 1.00 N ATOM 881 CA SER A 61 -18.375 -4.149 3.204 1.00 1.00 C ATOM 882 C SER A 61 -17.170 -4.111 4.161 1.00 1.00 C ATOM 883 O SER A 61 -16.221 -4.890 4.040 1.00 1.00 O ATOM 884 CB SER A 61 -19.584 -4.739 3.945 1.00 1.00 C ATOM 885 OG SER A 61 -20.730 -4.718 3.108 1.00 1.00 O ATOM 0 H SER A 61 -18.679 -5.781 1.931 1.00 1.00 H new ATOM 0 HA SER A 61 -18.566 -3.123 2.889 1.00 1.00 H new ATOM 0 HB2 SER A 61 -19.368 -5.762 4.252 1.00 1.00 H new ATOM 0 HB3 SER A 61 -19.777 -4.168 4.853 1.00 1.00 H new ATOM 0 HG SER A 61 -20.777 -5.553 2.597 1.00 1.00 H new ATOM 891 N TYR A 62 -17.240 -3.222 5.158 1.00 1.00 N ATOM 892 CA TYR A 62 -16.316 -3.159 6.299 1.00 1.00 C ATOM 893 C TYR A 62 -16.138 -4.525 6.994 1.00 1.00 C ATOM 894 O TYR A 62 -17.100 -5.281 7.164 1.00 1.00 O ATOM 895 CB TYR A 62 -16.871 -2.125 7.298 1.00 1.00 C ATOM 896 CG TYR A 62 -16.173 -2.086 8.649 1.00 1.00 C ATOM 897 CD1 TYR A 62 -16.607 -2.924 9.698 1.00 1.00 C ATOM 898 CD2 TYR A 62 -15.087 -1.217 8.857 1.00 1.00 C ATOM 899 CE1 TYR A 62 -15.940 -2.909 10.938 1.00 1.00 C ATOM 900 CE2 TYR A 62 -14.416 -1.197 10.095 1.00 1.00 C ATOM 901 CZ TYR A 62 -14.839 -2.048 11.140 1.00 1.00 C ATOM 902 OH TYR A 62 -14.200 -2.039 12.343 1.00 1.00 O ATOM 0 H TYR A 62 -17.963 -2.504 5.195 1.00 1.00 H new ATOM 0 HA TYR A 62 -15.330 -2.869 5.935 1.00 1.00 H new ATOM 0 HB2 TYR A 62 -16.806 -1.136 6.845 1.00 1.00 H new ATOM 0 HB3 TYR A 62 -17.929 -2.332 7.460 1.00 1.00 H new ATOM 0 HD1 TYR A 62 -17.453 -3.579 9.549 1.00 1.00 H new ATOM 0 HD2 TYR A 62 -14.765 -0.561 8.062 1.00 1.00 H new ATOM 0 HE1 TYR A 62 -16.271 -3.557 11.736 1.00 1.00 H new ATOM 0 HE2 TYR A 62 -13.579 -0.532 10.245 1.00 1.00 H new ATOM 0 HH TYR A 62 -13.464 -1.392 12.318 1.00 1.00 H new ATOM 912 N GLY A 63 -14.915 -4.819 7.448 1.00 1.00 N ATOM 913 CA GLY A 63 -14.629 -5.961 8.321 1.00 1.00 C ATOM 914 C GLY A 63 -14.595 -7.334 7.641 1.00 1.00 C ATOM 915 O GLY A 63 -15.000 -8.318 8.264 1.00 1.00 O ATOM 0 H GLY A 63 -14.089 -4.266 7.218 1.00 1.00 H new ATOM 0 HA2 GLY A 63 -13.666 -5.792 8.803 1.00 1.00 H new ATOM 0 HA3 GLY A 63 -15.380 -5.987 9.110 1.00 1.00 H new ATOM 919 N THR A 64 -14.111 -7.431 6.395 1.00 1.00 N ATOM 920 CA THR A 64 -13.934 -8.720 5.691 1.00 1.00 C ATOM 921 C THR A 64 -12.531 -8.877 5.111 1.00 1.00 C ATOM 922 O THR A 64 -11.847 -7.887 4.836 1.00 1.00 O ATOM 923 CB THR A 64 -15.012 -8.925 4.618 1.00 1.00 C ATOM 924 OG1 THR A 64 -15.161 -10.304 4.370 1.00 1.00 O ATOM 925 CG2 THR A 64 -14.710 -8.258 3.281 1.00 1.00 C ATOM 0 H THR A 64 -13.830 -6.621 5.842 1.00 1.00 H new ATOM 0 HA THR A 64 -14.054 -9.505 6.437 1.00 1.00 H new ATOM 0 HB THR A 64 -15.914 -8.463 5.020 1.00 1.00 H new ATOM 0 HG1 THR A 64 -15.850 -10.441 3.686 1.00 1.00 H new ATOM 0 HG21 THR A 64 -15.524 -8.455 2.584 1.00 1.00 H new ATOM 0 HG22 THR A 64 -14.609 -7.182 3.426 1.00 1.00 H new ATOM 0 HG23 THR A 64 -13.781 -8.659 2.876 1.00 1.00 H new ATOM 933 N THR A 65 -12.095 -10.127 4.937 1.00 1.00 N ATOM 934 CA THR A 65 -10.732 -10.473 4.506 1.00 1.00 C ATOM 935 C THR A 65 -10.685 -10.655 2.993 1.00 1.00 C ATOM 936 O THR A 65 -11.432 -11.445 2.409 1.00 1.00 O ATOM 937 CB THR A 65 -10.201 -11.727 5.218 1.00 1.00 C ATOM 938 OG1 THR A 65 -10.308 -11.548 6.615 1.00 1.00 O ATOM 939 CG2 THR A 65 -8.726 -11.989 4.908 1.00 1.00 C ATOM 0 H THR A 65 -12.687 -10.943 5.093 1.00 1.00 H new ATOM 0 HA THR A 65 -10.081 -9.645 4.785 1.00 1.00 H new ATOM 0 HB THR A 65 -10.794 -12.570 4.865 1.00 1.00 H new ATOM 0 HG1 THR A 65 -9.972 -12.346 7.074 1.00 1.00 H new ATOM 0 HG21 THR A 65 -8.397 -12.885 5.434 1.00 1.00 H new ATOM 0 HG22 THR A 65 -8.599 -12.131 3.835 1.00 1.00 H new ATOM 0 HG23 THR A 65 -8.129 -11.137 5.234 1.00 1.00 H new ATOM 947 N VAL A 66 -9.768 -9.931 2.357 1.00 1.00 N ATOM 948 CA VAL A 66 -9.666 -9.770 0.902 1.00 1.00 C ATOM 949 C VAL A 66 -8.259 -10.107 0.417 1.00 1.00 C ATOM 950 O VAL A 66 -7.288 -9.841 1.111 1.00 1.00 O ATOM 951 CB VAL A 66 -10.038 -8.331 0.486 1.00 1.00 C ATOM 952 CG1 VAL A 66 -11.518 -8.021 0.729 1.00 1.00 C ATOM 953 CG2 VAL A 66 -9.234 -7.237 1.212 1.00 1.00 C ATOM 0 H VAL A 66 -9.044 -9.417 2.859 1.00 1.00 H new ATOM 0 HA VAL A 66 -10.369 -10.462 0.437 1.00 1.00 H new ATOM 0 HB VAL A 66 -9.798 -8.308 -0.577 1.00 1.00 H new ATOM 0 HG11 VAL A 66 -11.731 -6.997 0.421 1.00 1.00 H new ATOM 0 HG12 VAL A 66 -12.134 -8.710 0.150 1.00 1.00 H new ATOM 0 HG13 VAL A 66 -11.744 -8.135 1.789 1.00 1.00 H new ATOM 0 HG21 VAL A 66 -9.556 -6.256 0.862 1.00 1.00 H new ATOM 0 HG22 VAL A 66 -9.403 -7.313 2.286 1.00 1.00 H new ATOM 0 HG23 VAL A 66 -8.172 -7.366 1.002 1.00 1.00 H new ATOM 963 N LEU A 67 -8.123 -10.687 -0.771 1.00 1.00 N ATOM 964 CA LEU A 67 -6.826 -10.854 -1.431 1.00 1.00 C ATOM 965 C LEU A 67 -6.593 -9.658 -2.357 1.00 1.00 C ATOM 966 O LEU A 67 -7.449 -9.343 -3.189 1.00 1.00 O ATOM 967 CB LEU A 67 -6.824 -12.187 -2.205 1.00 1.00 C ATOM 968 CG LEU A 67 -5.526 -12.483 -2.983 1.00 1.00 C ATOM 969 CD1 LEU A 67 -4.319 -12.662 -2.061 1.00 1.00 C ATOM 970 CD2 LEU A 67 -5.695 -13.763 -3.799 1.00 1.00 C ATOM 0 H LEU A 67 -8.908 -11.056 -1.307 1.00 1.00 H new ATOM 0 HA LEU A 67 -6.015 -10.888 -0.703 1.00 1.00 H new ATOM 0 HB2 LEU A 67 -7.002 -13.000 -1.501 1.00 1.00 H new ATOM 0 HB3 LEU A 67 -7.658 -12.185 -2.906 1.00 1.00 H new ATOM 0 HG LEU A 67 -5.342 -11.624 -3.628 1.00 1.00 H new ATOM 0 HD11 LEU A 67 -3.432 -12.868 -2.659 1.00 1.00 H new ATOM 0 HD12 LEU A 67 -4.164 -11.750 -1.484 1.00 1.00 H new ATOM 0 HD13 LEU A 67 -4.500 -13.495 -1.382 1.00 1.00 H new ATOM 0 HD21 LEU A 67 -4.776 -13.969 -4.347 1.00 1.00 H new ATOM 0 HD22 LEU A 67 -5.912 -14.595 -3.130 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -6.518 -13.640 -4.503 1.00 1.00 H new ATOM 982 N VAL A 68 -5.444 -8.993 -2.224 1.00 1.00 N ATOM 983 CA VAL A 68 -5.013 -7.974 -3.194 1.00 1.00 C ATOM 984 C VAL A 68 -4.542 -8.690 -4.463 1.00 1.00 C ATOM 985 O VAL A 68 -3.613 -9.495 -4.412 1.00 1.00 O ATOM 986 CB VAL A 68 -3.893 -7.071 -2.641 1.00 1.00 C ATOM 987 CG1 VAL A 68 -3.628 -5.903 -3.600 1.00 1.00 C ATOM 988 CG2 VAL A 68 -4.256 -6.490 -1.269 1.00 1.00 C ATOM 0 H VAL A 68 -4.791 -9.139 -1.454 1.00 1.00 H new ATOM 0 HA VAL A 68 -5.858 -7.320 -3.410 1.00 1.00 H new ATOM 0 HB VAL A 68 -3.004 -7.694 -2.541 1.00 1.00 H new ATOM 0 HG11 VAL A 68 -2.835 -5.274 -3.196 1.00 1.00 H new ATOM 0 HG12 VAL A 68 -3.324 -6.292 -4.572 1.00 1.00 H new ATOM 0 HG13 VAL A 68 -4.537 -5.312 -3.714 1.00 1.00 H new ATOM 0 HG21 VAL A 68 -3.441 -5.859 -0.914 1.00 1.00 H new ATOM 0 HG22 VAL A 68 -5.165 -5.894 -1.355 1.00 1.00 H new ATOM 0 HG23 VAL A 68 -4.421 -7.303 -0.562 1.00 1.00 H new ATOM 998 N VAL A 69 -5.190 -8.413 -5.595 1.00 1.00 N ATOM 999 CA VAL A 69 -5.018 -9.155 -6.863 1.00 1.00 C ATOM 1000 C VAL A 69 -4.454 -8.298 -8.006 1.00 1.00 C ATOM 1001 O VAL A 69 -3.878 -8.839 -8.949 1.00 1.00 O ATOM 1002 CB VAL A 69 -6.321 -9.863 -7.284 1.00 1.00 C ATOM 1003 CG1 VAL A 69 -6.537 -11.137 -6.463 1.00 1.00 C ATOM 1004 CG2 VAL A 69 -7.563 -8.985 -7.120 1.00 1.00 C ATOM 0 H VAL A 69 -5.865 -7.652 -5.667 1.00 1.00 H new ATOM 0 HA VAL A 69 -4.265 -9.916 -6.660 1.00 1.00 H new ATOM 0 HB VAL A 69 -6.197 -10.095 -8.342 1.00 1.00 H new ATOM 0 HG11 VAL A 69 -7.462 -11.620 -6.777 1.00 1.00 H new ATOM 0 HG12 VAL A 69 -5.701 -11.818 -6.621 1.00 1.00 H new ATOM 0 HG13 VAL A 69 -6.602 -10.882 -5.405 1.00 1.00 H new ATOM 0 HG21 VAL A 69 -8.446 -9.542 -7.433 1.00 1.00 H new ATOM 0 HG22 VAL A 69 -7.669 -8.696 -6.074 1.00 1.00 H new ATOM 0 HG23 VAL A 69 -7.460 -8.091 -7.735 1.00 1.00 H new ATOM 1014 N ASP A 70 -4.551 -6.969 -7.913 1.00 1.00 N ATOM 1015 CA ASP A 70 -3.870 -6.002 -8.790 1.00 1.00 C ATOM 1016 C ASP A 70 -3.663 -4.691 -8.009 1.00 1.00 C ATOM 1017 O ASP A 70 -4.277 -4.506 -6.958 1.00 1.00 O ATOM 1018 CB ASP A 70 -4.658 -5.771 -10.095 1.00 1.00 C ATOM 1019 CG ASP A 70 -3.740 -5.565 -11.306 1.00 1.00 C ATOM 1020 OD1 ASP A 70 -2.835 -4.704 -11.217 1.00 1.00 O ATOM 1021 OD2 ASP A 70 -3.946 -6.265 -12.326 1.00 1.00 O ATOM 0 H ASP A 70 -5.125 -6.517 -7.201 1.00 1.00 H new ATOM 0 HA ASP A 70 -2.900 -6.400 -9.086 1.00 1.00 H new ATOM 0 HB2 ASP A 70 -5.310 -6.625 -10.278 1.00 1.00 H new ATOM 0 HB3 ASP A 70 -5.301 -4.899 -9.978 1.00 1.00 H new ATOM 1026 N ILE A 71 -2.790 -3.787 -8.457 1.00 1.00 N ATOM 1027 CA ILE A 71 -2.438 -2.561 -7.719 1.00 1.00 C ATOM 1028 C ILE A 71 -2.112 -1.421 -8.696 1.00 1.00 C ATOM 1029 O ILE A 71 -1.402 -1.615 -9.685 1.00 1.00 O ATOM 1030 CB ILE A 71 -1.256 -2.807 -6.742 1.00 1.00 C ATOM 1031 CG1 ILE A 71 -1.477 -4.035 -5.824 1.00 1.00 C ATOM 1032 CG2 ILE A 71 -1.081 -1.549 -5.877 1.00 1.00 C ATOM 1033 CD1 ILE A 71 -0.321 -4.370 -4.890 1.00 1.00 C ATOM 0 H ILE A 71 -2.301 -3.881 -9.347 1.00 1.00 H new ATOM 0 HA ILE A 71 -3.302 -2.269 -7.122 1.00 1.00 H new ATOM 0 HB ILE A 71 -0.366 -3.015 -7.335 1.00 1.00 H new ATOM 0 HG12 ILE A 71 -2.369 -3.861 -5.222 1.00 1.00 H new ATOM 0 HG13 ILE A 71 -1.679 -4.904 -6.450 1.00 1.00 H new ATOM 0 HG21 ILE A 71 -0.255 -1.698 -5.181 1.00 1.00 H new ATOM 0 HG22 ILE A 71 -0.866 -0.694 -6.518 1.00 1.00 H new ATOM 0 HG23 ILE A 71 -1.997 -1.362 -5.317 1.00 1.00 H new ATOM 0 HD11 ILE A 71 -0.578 -5.244 -4.292 1.00 1.00 H new ATOM 0 HD12 ILE A 71 0.572 -4.582 -5.478 1.00 1.00 H new ATOM 0 HD13 ILE A 71 -0.129 -3.524 -4.231 1.00 1.00 H new ATOM 1045 N ASN A 72 -2.606 -0.221 -8.386 1.00 1.00 N ATOM 1046 CA ASN A 72 -2.559 0.975 -9.228 1.00 1.00 C ATOM 1047 C ASN A 72 -2.193 2.219 -8.389 1.00 1.00 C ATOM 1048 O ASN A 72 -3.063 2.993 -7.990 1.00 1.00 O ATOM 1049 CB ASN A 72 -3.919 1.107 -9.942 1.00 1.00 C ATOM 1050 CG ASN A 72 -4.135 0.037 -11.000 1.00 1.00 C ATOM 1051 OD1 ASN A 72 -4.704 -1.017 -10.753 1.00 1.00 O ATOM 1052 ND2 ASN A 72 -3.693 0.270 -12.216 1.00 1.00 N ATOM 0 H ASN A 72 -3.073 -0.049 -7.496 1.00 1.00 H new ATOM 0 HA ASN A 72 -1.778 0.890 -9.984 1.00 1.00 H new ATOM 0 HB2 ASN A 72 -4.719 1.048 -9.204 1.00 1.00 H new ATOM 0 HB3 ASN A 72 -3.986 2.090 -10.407 1.00 1.00 H new ATOM 0 HD21 ASN A 72 -3.825 -0.427 -12.949 1.00 1.00 H new ATOM 0 HD22 ASN A 72 -3.218 1.148 -12.426 1.00 1.00 H new ATOM 1059 N ASN A 73 -0.895 2.398 -8.107 1.00 1.00 N ATOM 1060 CA ASN A 73 -0.299 3.576 -7.448 1.00 1.00 C ATOM 1061 C ASN A 73 -1.077 4.093 -6.209 1.00 1.00 C ATOM 1062 O ASN A 73 -1.503 5.250 -6.152 1.00 1.00 O ATOM 1063 CB ASN A 73 -0.038 4.650 -8.524 1.00 1.00 C ATOM 1064 CG ASN A 73 0.808 5.814 -8.021 1.00 1.00 C ATOM 1065 OD1 ASN A 73 1.625 5.692 -7.117 1.00 1.00 O ATOM 1066 ND2 ASN A 73 0.652 6.985 -8.599 1.00 1.00 N ATOM 0 H ASN A 73 -0.196 1.693 -8.342 1.00 1.00 H new ATOM 0 HA ASN A 73 0.650 3.278 -7.002 1.00 1.00 H new ATOM 0 HB2 ASN A 73 0.462 4.188 -9.375 1.00 1.00 H new ATOM 0 HB3 ASN A 73 -0.993 5.033 -8.884 1.00 1.00 H new ATOM 0 HD21 ASN A 73 1.209 7.783 -8.294 1.00 1.00 H new ATOM 0 HD22 ASN A 73 -0.026 7.095 -9.353 1.00 1.00 H new ATOM 1073 N GLY A 74 -1.315 3.209 -5.234 1.00 1.00 N ATOM 1074 CA GLY A 74 -2.043 3.513 -3.990 1.00 1.00 C ATOM 1075 C GLY A 74 -3.540 3.164 -4.013 1.00 1.00 C ATOM 1076 O GLY A 74 -4.187 3.199 -2.965 1.00 1.00 O ATOM 0 H GLY A 74 -1.001 2.240 -5.286 1.00 1.00 H new ATOM 0 HA2 GLY A 74 -1.572 2.972 -3.169 1.00 1.00 H new ATOM 0 HA3 GLY A 74 -1.936 4.576 -3.774 1.00 1.00 H new ATOM 1080 N VAL A 75 -4.081 2.788 -5.178 1.00 1.00 N ATOM 1081 CA VAL A 75 -5.428 2.222 -5.354 1.00 1.00 C ATOM 1082 C VAL A 75 -5.279 0.729 -5.634 1.00 1.00 C ATOM 1083 O VAL A 75 -4.875 0.315 -6.721 1.00 1.00 O ATOM 1084 CB VAL A 75 -6.218 2.923 -6.480 1.00 1.00 C ATOM 1085 CG1 VAL A 75 -7.669 2.424 -6.500 1.00 1.00 C ATOM 1086 CG2 VAL A 75 -6.244 4.448 -6.308 1.00 1.00 C ATOM 0 H VAL A 75 -3.575 2.872 -6.059 1.00 1.00 H new ATOM 0 HA VAL A 75 -6.004 2.382 -4.443 1.00 1.00 H new ATOM 0 HB VAL A 75 -5.710 2.681 -7.414 1.00 1.00 H new ATOM 0 HG11 VAL A 75 -8.215 2.926 -7.298 1.00 1.00 H new ATOM 0 HG12 VAL A 75 -7.681 1.348 -6.673 1.00 1.00 H new ATOM 0 HG13 VAL A 75 -8.142 2.643 -5.543 1.00 1.00 H new ATOM 0 HG21 VAL A 75 -6.811 4.897 -7.124 1.00 1.00 H new ATOM 0 HG22 VAL A 75 -6.715 4.699 -5.358 1.00 1.00 H new ATOM 0 HG23 VAL A 75 -5.224 4.833 -6.320 1.00 1.00 H new ATOM 1096 N LEU A 76 -5.528 -0.094 -4.623 1.00 1.00 N ATOM 1097 CA LEU A 76 -5.434 -1.549 -4.715 1.00 1.00 C ATOM 1098 C LEU A 76 -6.703 -2.112 -5.373 1.00 1.00 C ATOM 1099 O LEU A 76 -7.804 -1.610 -5.156 1.00 1.00 O ATOM 1100 CB LEU A 76 -5.234 -2.118 -3.296 1.00 1.00 C ATOM 1101 CG LEU A 76 -3.787 -2.031 -2.764 1.00 1.00 C ATOM 1102 CD1 LEU A 76 -3.209 -0.614 -2.727 1.00 1.00 C ATOM 1103 CD2 LEU A 76 -3.732 -2.581 -1.340 1.00 1.00 C ATOM 0 H LEU A 76 -5.806 0.235 -3.699 1.00 1.00 H new ATOM 0 HA LEU A 76 -4.585 -1.840 -5.334 1.00 1.00 H new ATOM 0 HB2 LEU A 76 -5.892 -1.585 -2.609 1.00 1.00 H new ATOM 0 HB3 LEU A 76 -5.546 -3.162 -3.291 1.00 1.00 H new ATOM 0 HG LEU A 76 -3.188 -2.614 -3.464 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -2.190 -0.647 -2.341 1.00 1.00 H new ATOM 0 HD12 LEU A 76 -3.202 -0.198 -3.734 1.00 1.00 H new ATOM 0 HD13 LEU A 76 -3.823 0.013 -2.080 1.00 1.00 H new ATOM 0 HD21 LEU A 76 -2.710 -2.519 -0.965 1.00 1.00 H new ATOM 0 HD22 LEU A 76 -4.390 -1.995 -0.698 1.00 1.00 H new ATOM 0 HD23 LEU A 76 -4.056 -3.622 -1.339 1.00 1.00 H new ATOM 1115 N SER A 77 -6.569 -3.207 -6.112 1.00 1.00 N ATOM 1116 CA SER A 77 -7.687 -3.984 -6.651 1.00 1.00 C ATOM 1117 C SER A 77 -7.759 -5.291 -5.874 1.00 1.00 C ATOM 1118 O SER A 77 -6.795 -6.060 -5.845 1.00 1.00 O ATOM 1119 CB SER A 77 -7.510 -4.277 -8.141 1.00 1.00 C ATOM 1120 OG SER A 77 -7.370 -3.086 -8.895 1.00 1.00 O ATOM 0 H SER A 77 -5.658 -3.592 -6.361 1.00 1.00 H new ATOM 0 HA SER A 77 -8.607 -3.409 -6.545 1.00 1.00 H new ATOM 0 HB2 SER A 77 -6.631 -4.906 -8.287 1.00 1.00 H new ATOM 0 HB3 SER A 77 -8.369 -4.840 -8.506 1.00 1.00 H new ATOM 0 HG SER A 77 -7.257 -3.310 -9.842 1.00 1.00 H new ATOM 1126 N VAL A 78 -8.890 -5.530 -5.214 1.00 1.00 N ATOM 1127 CA VAL A 78 -9.043 -6.621 -4.241 1.00 1.00 C ATOM 1128 C VAL A 78 -10.302 -7.453 -4.498 1.00 1.00 C ATOM 1129 O VAL A 78 -11.220 -7.025 -5.200 1.00 1.00 O ATOM 1130 CB VAL A 78 -8.985 -6.081 -2.790 1.00 1.00 C ATOM 1131 CG1 VAL A 78 -7.828 -5.099 -2.555 1.00 1.00 C ATOM 1132 CG2 VAL A 78 -10.267 -5.371 -2.347 1.00 1.00 C ATOM 0 H VAL A 78 -9.734 -4.971 -5.337 1.00 1.00 H new ATOM 0 HA VAL A 78 -8.200 -7.299 -4.373 1.00 1.00 H new ATOM 0 HB VAL A 78 -8.840 -6.985 -2.198 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -7.844 -4.759 -1.520 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -6.880 -5.598 -2.758 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -7.937 -4.242 -3.220 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -10.153 -5.020 -1.321 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -10.457 -4.521 -3.002 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -11.105 -6.066 -2.401 1.00 1.00 H new ATOM 1142 N THR A 79 -10.353 -8.649 -3.915 1.00 1.00 N ATOM 1143 CA THR A 79 -11.505 -9.567 -3.987 1.00 1.00 C ATOM 1144 C THR A 79 -11.660 -10.333 -2.661 1.00 1.00 C ATOM 1145 O THR A 79 -10.640 -10.668 -2.052 1.00 1.00 O ATOM 1146 CB THR A 79 -11.340 -10.517 -5.190 1.00 1.00 C ATOM 1147 OG1 THR A 79 -12.456 -11.369 -5.290 1.00 1.00 O ATOM 1148 CG2 THR A 79 -10.096 -11.410 -5.131 1.00 1.00 C ATOM 0 H THR A 79 -9.580 -9.022 -3.365 1.00 1.00 H new ATOM 0 HA THR A 79 -12.421 -8.996 -4.138 1.00 1.00 H new ATOM 0 HB THR A 79 -11.238 -9.858 -6.052 1.00 1.00 H new ATOM 0 HG1 THR A 79 -12.343 -11.967 -6.058 1.00 1.00 H new ATOM 0 HG21 THR A 79 -10.061 -12.044 -6.017 1.00 1.00 H new ATOM 0 HG22 THR A 79 -9.202 -10.787 -5.096 1.00 1.00 H new ATOM 0 HG23 THR A 79 -10.138 -12.035 -4.239 1.00 1.00 H new ATOM 1156 N PRO A 80 -12.881 -10.582 -2.144 1.00 1.00 N ATOM 1157 CA PRO A 80 -13.086 -11.229 -0.845 1.00 1.00 C ATOM 1158 C PRO A 80 -12.727 -12.725 -0.864 1.00 1.00 C ATOM 1159 O PRO A 80 -13.550 -13.589 -1.173 1.00 1.00 O ATOM 1160 CB PRO A 80 -14.539 -10.944 -0.464 1.00 1.00 C ATOM 1161 CG PRO A 80 -15.241 -10.810 -1.816 1.00 1.00 C ATOM 1162 CD PRO A 80 -14.168 -10.182 -2.705 1.00 1.00 C ATOM 0 HA PRO A 80 -12.413 -10.827 -0.088 1.00 1.00 H new ATOM 0 HB2 PRO A 80 -14.964 -11.752 0.131 1.00 1.00 H new ATOM 0 HB3 PRO A 80 -14.628 -10.032 0.127 1.00 1.00 H new ATOM 0 HG2 PRO A 80 -15.566 -11.777 -2.199 1.00 1.00 H new ATOM 0 HG3 PRO A 80 -16.128 -10.180 -1.749 1.00 1.00 H new ATOM 0 HD2 PRO A 80 -14.267 -10.526 -3.735 1.00 1.00 H new ATOM 0 HD3 PRO A 80 -14.264 -9.096 -2.721 1.00 1.00 H new ATOM 1170 N HIS A 81 -11.470 -13.026 -0.525 1.00 1.00 N ATOM 1171 CA HIS A 81 -10.951 -14.392 -0.408 1.00 1.00 C ATOM 1172 C HIS A 81 -11.566 -15.132 0.798 1.00 1.00 C ATOM 1173 O HIS A 81 -11.848 -16.327 0.707 1.00 1.00 O ATOM 1174 CB HIS A 81 -9.416 -14.331 -0.312 1.00 1.00 C ATOM 1175 CG HIS A 81 -8.693 -15.666 -0.358 1.00 1.00 C ATOM 1176 ND1 HIS A 81 -9.234 -16.920 -0.165 1.00 1.00 N ATOM 1177 CD2 HIS A 81 -7.356 -15.856 -0.595 1.00 1.00 C ATOM 1178 CE1 HIS A 81 -8.258 -17.835 -0.284 1.00 1.00 C ATOM 1179 NE2 HIS A 81 -7.086 -17.231 -0.546 1.00 1.00 N ATOM 0 H HIS A 81 -10.771 -12.312 -0.320 1.00 1.00 H new ATOM 0 HA HIS A 81 -11.234 -14.962 -1.293 1.00 1.00 H new ATOM 0 HB2 HIS A 81 -9.045 -13.711 -1.128 1.00 1.00 H new ATOM 0 HB3 HIS A 81 -9.149 -13.828 0.617 1.00 1.00 H new ATOM 0 HD1 HIS A 81 -10.214 -17.120 0.035 1.00 1.00 H new ATOM 0 HD2 HIS A 81 -6.633 -15.078 -0.787 1.00 1.00 H new ATOM 0 HE1 HIS A 81 -8.395 -18.902 -0.184 1.00 1.00 H new