USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 677 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 84 HIS : no HD1:sc= 0.655 K(o=0.88,f=-5.4!) USER MOD Set 1.2: A 86 THR OG1 : rot -89:sc= 0.221 USER MOD Set 2.1: A 51 HIS :FLIP no HD1:sc= 0.0235 F(o=0.6,f=1.2) USER MOD Set 2.2: A 66 TYR OH : rot -127:sc= 1.18 USER MOD Set 3.1: A 11 SER OG : rot -103:sc= 1.27 USER MOD Set 3.2: A 21 ASN :FLIP amide:sc= 0.373 F(o=0.45!,f=1.6) USER MOD Single : A 4 THR OG1 : rot 38:sc= 0.923 USER MOD Single : A 6 LYS NZ :NH3+ -166:sc= -0.0139 (180deg=-0.25) USER MOD Single : A 8 GLN :FLIP amide:sc= -0.0884 F(o=-1.8!,f=-0.088) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.263 X(o=-0.26,f=-0.036) USER MOD Single : A 17 ASN : amide:sc= -3.98! C(o=-4!,f=-7.8!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -2.08 K(o=-2.1,f=-5.3!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0188 USER MOD Single : A 31 HIS : no HD1:sc= -0.135 X(o=-0.13,f=-0.0068) USER MOD Single : A 33 SER OG : rot 56:sc= 0.877 USER MOD Single : A 41 LYS NZ :NH3+ 136:sc= 0.156 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -108:sc= 0.64 (180deg=-0.00166) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 30:sc= 0 USER MOD Single : A 68 THR OG1 : rot -130:sc= -0.0269 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -98:sc= 0.168! USER MOD Single : A 75 LYS NZ :NH3+ -165:sc= -0.0454 (180deg=-0.305) USER MOD Single : A 78 TYR OH : rot 144:sc= 0.0244 USER MOD Single : A 83 ASN : amide:sc= -1.35 K(o=-1.3,f=-3!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 91 LYS NZ :NH3+ 134:sc= -0.163 (180deg=-0.752) USER MOD Single : A 94 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0447) USER MOD ----------------------------------------------------------------- ATOM 36 N ARG A 3 -17.056 -4.640 -4.375 1.00 0.00 N ATOM 37 CA ARG A 3 -16.055 -4.316 -5.380 1.00 0.00 C ATOM 38 C ARG A 3 -14.744 -4.974 -5.004 1.00 0.00 C ATOM 39 O ARG A 3 -14.420 -5.062 -3.821 1.00 0.00 O ATOM 40 CB ARG A 3 -15.837 -2.804 -5.468 1.00 0.00 C ATOM 41 CG ARG A 3 -14.551 -2.437 -6.232 1.00 0.00 C ATOM 42 CD ARG A 3 -14.819 -1.710 -7.557 1.00 0.00 C ATOM 43 NE ARG A 3 -15.525 -2.571 -8.506 1.00 0.00 N ATOM 44 CZ ARG A 3 -16.446 -2.139 -9.364 1.00 0.00 C ATOM 45 NH1 ARG A 3 -16.713 -0.844 -9.467 1.00 0.00 N ATOM 46 NH2 ARG A 3 -17.079 -3.004 -10.146 1.00 0.00 N ATOM 0 HA ARG A 3 -16.406 -4.679 -6.346 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -16.693 -2.345 -5.962 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -15.789 -2.388 -4.462 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -13.928 -1.806 -5.599 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -13.984 -3.346 -6.432 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -15.409 -0.813 -7.369 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -13.874 -1.384 -7.992 1.00 0.00 H new ATOM 0 HE ARG A 3 -15.297 -3.565 -8.510 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -16.211 -0.172 -8.886 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -17.420 -0.520 -10.127 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -16.859 -3.998 -10.089 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -17.785 -2.675 -10.804 1.00 0.00 H new ATOM 60 N THR A 4 -13.997 -5.430 -5.994 1.00 0.00 N ATOM 61 CA THR A 4 -12.669 -5.938 -5.739 1.00 0.00 C ATOM 62 C THR A 4 -11.703 -4.767 -5.590 1.00 0.00 C ATOM 63 O THR A 4 -11.399 -4.081 -6.571 1.00 0.00 O ATOM 64 CB THR A 4 -12.187 -6.895 -6.858 1.00 0.00 C ATOM 65 OG1 THR A 4 -12.039 -6.183 -8.095 1.00 0.00 O ATOM 66 CG2 THR A 4 -13.172 -8.037 -7.064 1.00 0.00 C ATOM 0 H THR A 4 -14.287 -5.457 -6.971 1.00 0.00 H new ATOM 0 HA THR A 4 -12.698 -6.516 -4.816 1.00 0.00 H new ATOM 0 HB THR A 4 -11.225 -7.304 -6.549 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.686 -5.286 -7.916 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.808 -8.693 -7.855 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.270 -8.604 -6.139 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.144 -7.633 -7.346 1.00 0.00 H new ATOM 74 N PRO A 5 -11.228 -4.500 -4.356 1.00 0.00 N ATOM 75 CA PRO A 5 -10.345 -3.373 -4.095 1.00 0.00 C ATOM 76 C PRO A 5 -9.017 -3.566 -4.813 1.00 0.00 C ATOM 77 O PRO A 5 -8.372 -4.610 -4.673 1.00 0.00 O ATOM 78 CB PRO A 5 -10.142 -3.383 -2.572 1.00 0.00 C ATOM 79 CG PRO A 5 -11.148 -4.343 -2.025 1.00 0.00 C ATOM 80 CD PRO A 5 -11.478 -5.294 -3.146 1.00 0.00 C ATOM 0 HA PRO A 5 -10.759 -2.429 -4.449 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -9.129 -3.693 -2.316 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -10.286 -2.387 -2.153 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.746 -4.880 -1.166 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -12.041 -3.819 -1.684 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.851 -6.185 -3.114 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -12.513 -5.631 -3.094 1.00 0.00 H new ATOM 88 N LYS A 6 -8.612 -2.579 -5.590 1.00 0.00 N ATOM 89 CA LYS A 6 -7.410 -2.705 -6.387 1.00 0.00 C ATOM 90 C LYS A 6 -6.222 -2.077 -5.668 1.00 0.00 C ATOM 91 O LYS A 6 -6.366 -1.106 -4.917 1.00 0.00 O ATOM 92 CB LYS A 6 -7.602 -2.053 -7.763 1.00 0.00 C ATOM 93 CG LYS A 6 -6.387 -2.178 -8.673 1.00 0.00 C ATOM 94 CD LYS A 6 -6.568 -1.410 -9.969 1.00 0.00 C ATOM 95 CE LYS A 6 -5.335 -1.528 -10.854 1.00 0.00 C ATOM 96 NZ LYS A 6 -4.114 -1.004 -10.183 1.00 0.00 N ATOM 0 H LYS A 6 -9.096 -1.686 -5.685 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.208 -3.766 -6.531 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.462 -2.508 -8.255 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.835 -0.997 -7.626 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.504 -1.808 -8.152 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.208 -3.230 -8.896 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.439 -1.790 -10.502 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.762 -0.360 -9.749 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.181 -2.573 -11.123 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.501 -0.981 -11.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.357 -0.881 -10.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.327 -0.087 -9.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.803 -1.677 -9.453 1.00 0.00 H new ATOM 110 N ILE A 7 -5.055 -2.641 -5.922 1.00 0.00 N ATOM 111 CA ILE A 7 -3.828 -2.219 -5.268 1.00 0.00 C ATOM 112 C ILE A 7 -3.065 -1.260 -6.171 1.00 0.00 C ATOM 113 O ILE A 7 -2.862 -1.534 -7.358 1.00 0.00 O ATOM 114 CB ILE A 7 -2.900 -3.421 -4.911 1.00 0.00 C ATOM 115 CG1 ILE A 7 -3.440 -4.265 -3.750 1.00 0.00 C ATOM 116 CG2 ILE A 7 -1.511 -2.926 -4.547 1.00 0.00 C ATOM 117 CD1 ILE A 7 -4.893 -4.650 -3.857 1.00 0.00 C ATOM 0 H ILE A 7 -4.930 -3.404 -6.587 1.00 0.00 H new ATOM 0 HA ILE A 7 -4.115 -1.727 -4.339 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.862 -4.052 -5.799 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.844 -5.175 -3.676 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.295 -3.712 -2.822 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.875 -3.776 -4.300 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.084 -2.386 -5.392 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.576 -2.260 -3.687 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -5.177 -5.244 -2.989 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.506 -3.750 -3.897 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.049 -5.235 -4.764 1.00 0.00 H new ATOM 129 N GLN A 8 -2.693 -0.122 -5.617 1.00 0.00 N ATOM 130 CA GLN A 8 -1.780 0.793 -6.276 1.00 0.00 C ATOM 131 C GLN A 8 -0.675 1.157 -5.305 1.00 0.00 C ATOM 132 O GLN A 8 -0.941 1.700 -4.239 1.00 0.00 O ATOM 133 CB GLN A 8 -2.494 2.065 -6.713 1.00 0.00 C ATOM 134 CG GLN A 8 -3.630 1.846 -7.694 1.00 0.00 C ATOM 135 CD GLN A 8 -4.418 3.116 -7.953 1.00 0.00 C ATOM 136 OE1 GLN A 8 -4.451 4.005 -6.970 1.00 0.00 O flip ATOM 137 NE2 GLN A 8 -4.993 3.300 -9.027 1.00 0.00 N flip ATOM 0 H GLN A 8 -3.013 0.194 -4.701 1.00 0.00 H new ATOM 0 HA GLN A 8 -1.375 0.305 -7.163 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -2.887 2.568 -5.829 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.765 2.738 -7.165 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -3.227 1.472 -8.635 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.299 1.078 -7.306 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.944 2.592 -9.759 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.518 4.161 -9.184 1.00 0.00 H new ATOM 146 N VAL A 9 0.551 0.847 -5.651 1.00 0.00 N ATOM 147 CA VAL A 9 1.666 1.204 -4.796 1.00 0.00 C ATOM 148 C VAL A 9 2.742 1.937 -5.576 1.00 0.00 C ATOM 149 O VAL A 9 3.163 1.517 -6.658 1.00 0.00 O ATOM 150 CB VAL A 9 2.250 -0.011 -4.007 1.00 0.00 C ATOM 151 CG1 VAL A 9 1.994 -1.329 -4.713 1.00 0.00 C ATOM 152 CG2 VAL A 9 3.743 0.167 -3.748 1.00 0.00 C ATOM 0 H VAL A 9 0.804 0.354 -6.507 1.00 0.00 H new ATOM 0 HA VAL A 9 1.271 1.885 -4.042 1.00 0.00 H new ATOM 0 HB VAL A 9 1.729 -0.042 -3.050 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.418 -2.144 -4.127 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.920 -1.481 -4.822 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.459 -1.310 -5.698 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.122 -0.694 -3.197 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.270 0.250 -4.699 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.905 1.072 -3.163 1.00 0.00 H new ATOM 162 N TYR A 10 3.150 3.055 -5.006 1.00 0.00 N ATOM 163 CA TYR A 10 4.144 3.934 -5.599 1.00 0.00 C ATOM 164 C TYR A 10 5.029 4.452 -4.476 1.00 0.00 C ATOM 165 O TYR A 10 4.781 4.158 -3.307 1.00 0.00 O ATOM 166 CB TYR A 10 3.492 5.148 -6.305 1.00 0.00 C ATOM 167 CG TYR A 10 2.228 4.866 -7.104 1.00 0.00 C ATOM 168 CD1 TYR A 10 0.972 5.196 -6.596 1.00 0.00 C ATOM 169 CD2 TYR A 10 2.290 4.328 -8.382 1.00 0.00 C ATOM 170 CE1 TYR A 10 -0.173 4.996 -7.333 1.00 0.00 C ATOM 171 CE2 TYR A 10 1.142 4.114 -9.124 1.00 0.00 C ATOM 172 CZ TYR A 10 -0.088 4.452 -8.595 1.00 0.00 C ATOM 173 OH TYR A 10 -1.234 4.265 -9.336 1.00 0.00 O ATOM 0 H TYR A 10 2.797 3.384 -4.107 1.00 0.00 H new ATOM 0 HA TYR A 10 4.708 3.373 -6.344 1.00 0.00 H new ATOM 0 HB2 TYR A 10 3.259 5.898 -5.549 1.00 0.00 H new ATOM 0 HB3 TYR A 10 4.229 5.590 -6.976 1.00 0.00 H new ATOM 0 HD1 TYR A 10 0.896 5.617 -5.604 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.251 4.072 -8.804 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.135 5.265 -6.923 1.00 0.00 H new ATOM 0 HE2 TYR A 10 1.208 3.684 -10.113 1.00 0.00 H new ATOM 0 HH TYR A 10 -1.002 3.873 -10.204 1.00 0.00 H new ATOM 183 N SER A 11 6.060 5.207 -4.806 1.00 0.00 N ATOM 184 CA SER A 11 6.803 5.920 -3.790 1.00 0.00 C ATOM 185 C SER A 11 6.278 7.345 -3.731 1.00 0.00 C ATOM 186 O SER A 11 5.950 7.930 -4.765 1.00 0.00 O ATOM 187 CB SER A 11 8.301 5.906 -4.101 1.00 0.00 C ATOM 188 OG SER A 11 9.037 6.544 -3.072 1.00 0.00 O ATOM 0 H SER A 11 6.398 5.340 -5.759 1.00 0.00 H new ATOM 0 HA SER A 11 6.669 5.434 -2.823 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.643 4.877 -4.214 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.484 6.409 -5.050 1.00 0.00 H new ATOM 0 HG SER A 11 9.304 7.439 -3.368 1.00 0.00 H new ATOM 194 N ARG A 12 6.169 7.884 -2.522 1.00 0.00 N ATOM 195 CA ARG A 12 5.570 9.206 -2.327 1.00 0.00 C ATOM 196 C ARG A 12 6.416 10.275 -3.021 1.00 0.00 C ATOM 197 O ARG A 12 5.885 11.191 -3.645 1.00 0.00 O ATOM 198 CB ARG A 12 5.421 9.490 -0.812 1.00 0.00 C ATOM 199 CG ARG A 12 4.532 10.677 -0.423 1.00 0.00 C ATOM 200 CD ARG A 12 5.225 12.011 -0.644 1.00 0.00 C ATOM 201 NE ARG A 12 6.339 12.213 0.284 1.00 0.00 N ATOM 202 CZ ARG A 12 6.272 12.973 1.377 1.00 0.00 C ATOM 203 NH1 ARG A 12 5.113 13.497 1.768 1.00 0.00 N ATOM 204 NH2 ARG A 12 7.361 13.177 2.104 1.00 0.00 N ATOM 0 H ARG A 12 6.485 7.432 -1.664 1.00 0.00 H new ATOM 0 HA ARG A 12 4.577 9.230 -2.776 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.023 8.595 -0.335 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.415 9.658 -0.397 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.612 10.646 -1.007 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.247 10.587 0.625 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.593 12.062 -1.669 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.503 12.819 -0.524 1.00 0.00 H new ATOM 0 HE ARG A 12 7.221 11.743 0.082 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.265 13.318 1.230 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.072 14.077 2.606 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.246 12.753 1.826 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.314 13.758 2.941 1.00 0.00 H new ATOM 218 N HIS A 13 7.728 10.155 -2.898 1.00 0.00 N ATOM 219 CA HIS A 13 8.661 11.029 -3.608 1.00 0.00 C ATOM 220 C HIS A 13 9.639 10.187 -4.444 1.00 0.00 C ATOM 221 O HIS A 13 9.477 8.968 -4.503 1.00 0.00 O ATOM 222 CB HIS A 13 9.416 11.913 -2.609 1.00 0.00 C ATOM 223 CG HIS A 13 8.678 13.158 -2.220 1.00 0.00 C ATOM 224 ND1 HIS A 13 9.121 13.952 -1.191 1.00 0.00 N ATOM 225 CD2 HIS A 13 7.548 13.699 -2.743 1.00 0.00 C ATOM 226 CE1 HIS A 13 8.257 14.949 -1.108 1.00 0.00 C ATOM 227 NE2 HIS A 13 7.289 14.837 -2.027 1.00 0.00 N ATOM 0 H HIS A 13 8.179 9.455 -2.308 1.00 0.00 H new ATOM 0 HA HIS A 13 8.102 11.676 -4.284 1.00 0.00 H new ATOM 0 HB2 HIS A 13 9.626 11.332 -1.711 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.377 12.192 -3.040 1.00 0.00 H new ATOM 0 HD2 HIS A 13 6.966 13.308 -3.564 1.00 0.00 H new ATOM 0 HE1 HIS A 13 8.323 15.753 -0.390 1.00 0.00 H new ATOM 0 HE2 HIS A 13 6.508 15.478 -2.167 1.00 0.00 H new ATOM 235 N PRO A 14 10.648 10.792 -5.129 1.00 0.00 N ATOM 236 CA PRO A 14 11.667 10.016 -5.850 1.00 0.00 C ATOM 237 C PRO A 14 12.345 8.983 -4.952 1.00 0.00 C ATOM 238 O PRO A 14 12.693 9.273 -3.802 1.00 0.00 O ATOM 239 CB PRO A 14 12.694 11.059 -6.320 1.00 0.00 C ATOM 240 CG PRO A 14 12.332 12.340 -5.614 1.00 0.00 C ATOM 241 CD PRO A 14 10.859 12.241 -5.303 1.00 0.00 C ATOM 0 HA PRO A 14 11.222 9.453 -6.671 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.709 10.748 -6.071 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.656 11.185 -7.402 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.916 12.461 -4.702 1.00 0.00 H new ATOM 0 HG3 PRO A 14 12.541 13.205 -6.244 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.599 12.797 -4.402 1.00 0.00 H new ATOM 0 HD3 PRO A 14 10.249 12.643 -6.112 1.00 0.00 H new ATOM 249 N ALA A 15 12.532 7.788 -5.486 1.00 0.00 N ATOM 250 CA ALA A 15 13.096 6.686 -4.731 1.00 0.00 C ATOM 251 C ALA A 15 14.602 6.602 -4.935 1.00 0.00 C ATOM 252 O ALA A 15 15.080 6.513 -6.068 1.00 0.00 O ATOM 253 CB ALA A 15 12.441 5.382 -5.146 1.00 0.00 C ATOM 0 H ALA A 15 12.298 7.557 -6.451 1.00 0.00 H new ATOM 0 HA ALA A 15 12.904 6.862 -3.673 1.00 0.00 H new ATOM 0 HB1 ALA A 15 12.871 4.560 -4.573 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.369 5.436 -4.954 1.00 0.00 H new ATOM 0 HB3 ALA A 15 12.611 5.212 -6.209 1.00 0.00 H new ATOM 259 N GLU A 16 15.343 6.632 -3.843 1.00 0.00 N ATOM 260 CA GLU A 16 16.790 6.531 -3.903 1.00 0.00 C ATOM 261 C GLU A 16 17.272 5.383 -3.023 1.00 0.00 C ATOM 262 O GLU A 16 16.911 5.294 -1.850 1.00 0.00 O ATOM 263 CB GLU A 16 17.425 7.848 -3.455 1.00 0.00 C ATOM 264 CG GLU A 16 18.935 7.900 -3.638 1.00 0.00 C ATOM 265 CD GLU A 16 19.347 7.884 -5.096 1.00 0.00 C ATOM 266 OE1 GLU A 16 19.694 6.802 -5.614 1.00 0.00 O ATOM 267 OE2 GLU A 16 19.334 8.957 -5.731 1.00 0.00 O ATOM 0 H GLU A 16 14.965 6.726 -2.900 1.00 0.00 H new ATOM 0 HA GLU A 16 17.089 6.330 -4.932 1.00 0.00 H new ATOM 0 HB2 GLU A 16 16.973 8.667 -4.015 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.191 8.013 -2.403 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.324 8.802 -3.165 1.00 0.00 H new ATOM 0 HG3 GLU A 16 19.389 7.051 -3.127 1.00 0.00 H new ATOM 274 N ASN A 17 18.074 4.507 -3.602 1.00 0.00 N ATOM 275 CA ASN A 17 18.627 3.362 -2.881 1.00 0.00 C ATOM 276 C ASN A 17 19.806 3.804 -2.025 1.00 0.00 C ATOM 277 O ASN A 17 20.726 4.472 -2.500 1.00 0.00 O ATOM 278 CB ASN A 17 19.018 2.250 -3.877 1.00 0.00 C ATOM 279 CG ASN A 17 20.175 1.368 -3.422 1.00 0.00 C ATOM 280 OD1 ASN A 17 20.346 1.081 -2.240 1.00 0.00 O ATOM 281 ND2 ASN A 17 20.980 0.918 -4.374 1.00 0.00 N ATOM 0 H ASN A 17 18.362 4.564 -4.579 1.00 0.00 H new ATOM 0 HA ASN A 17 17.872 2.951 -2.211 1.00 0.00 H new ATOM 0 HB2 ASN A 17 18.147 1.620 -4.058 1.00 0.00 H new ATOM 0 HB3 ASN A 17 19.282 2.710 -4.829 1.00 0.00 H new ATOM 0 HD21 ASN A 17 21.767 0.316 -4.134 1.00 0.00 H new ATOM 0 HD22 ASN A 17 20.812 1.174 -5.347 1.00 0.00 H new ATOM 288 N GLY A 18 19.754 3.432 -0.755 1.00 0.00 N ATOM 289 CA GLY A 18 20.742 3.865 0.201 1.00 0.00 C ATOM 290 C GLY A 18 20.378 5.221 0.737 1.00 0.00 C ATOM 291 O GLY A 18 21.234 5.994 1.161 1.00 0.00 O ATOM 0 H GLY A 18 19.030 2.827 -0.368 1.00 0.00 H new ATOM 0 HA2 GLY A 18 20.808 3.147 1.019 1.00 0.00 H new ATOM 0 HA3 GLY A 18 21.724 3.903 -0.270 1.00 0.00 H new ATOM 295 N LYS A 19 19.087 5.501 0.703 1.00 0.00 N ATOM 296 CA LYS A 19 18.571 6.798 1.071 1.00 0.00 C ATOM 297 C LYS A 19 17.166 6.653 1.628 1.00 0.00 C ATOM 298 O LYS A 19 16.407 5.781 1.203 1.00 0.00 O ATOM 299 CB LYS A 19 18.552 7.683 -0.167 1.00 0.00 C ATOM 300 CG LYS A 19 18.259 9.154 0.117 1.00 0.00 C ATOM 301 CD LYS A 19 19.440 9.861 0.793 1.00 0.00 C ATOM 302 CE LYS A 19 19.075 11.252 1.339 1.00 0.00 C ATOM 303 NZ LYS A 19 20.252 11.937 1.935 1.00 0.00 N ATOM 0 H LYS A 19 18.371 4.832 0.419 1.00 0.00 H new ATOM 0 HA LYS A 19 19.204 7.248 1.836 1.00 0.00 H new ATOM 0 HB2 LYS A 19 19.517 7.607 -0.668 1.00 0.00 H new ATOM 0 HB3 LYS A 19 17.802 7.302 -0.860 1.00 0.00 H new ATOM 0 HG2 LYS A 19 18.021 9.662 -0.817 1.00 0.00 H new ATOM 0 HG3 LYS A 19 17.379 9.231 0.755 1.00 0.00 H new ATOM 0 HD2 LYS A 19 19.808 9.241 1.610 1.00 0.00 H new ATOM 0 HD3 LYS A 19 20.255 9.960 0.076 1.00 0.00 H new ATOM 0 HE2 LYS A 19 18.668 11.863 0.534 1.00 0.00 H new ATOM 0 HE3 LYS A 19 18.292 11.153 2.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 19.966 12.871 2.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 20.625 11.366 2.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 20.989 12.054 1.211 1.00 0.00 H new ATOM 317 N SER A 20 16.842 7.488 2.594 1.00 0.00 N ATOM 318 CA SER A 20 15.526 7.496 3.184 1.00 0.00 C ATOM 319 C SER A 20 14.465 7.894 2.164 1.00 0.00 C ATOM 320 O SER A 20 14.604 8.896 1.452 1.00 0.00 O ATOM 321 CB SER A 20 15.519 8.457 4.359 1.00 0.00 C ATOM 322 OG SER A 20 15.828 9.774 3.938 1.00 0.00 O ATOM 0 H SER A 20 17.483 8.176 2.989 1.00 0.00 H new ATOM 0 HA SER A 20 15.286 6.490 3.528 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.540 8.445 4.838 1.00 0.00 H new ATOM 0 HB3 SER A 20 16.243 8.130 5.105 1.00 0.00 H new ATOM 0 HG SER A 20 15.816 10.376 4.711 1.00 0.00 H new ATOM 328 N ASN A 21 13.405 7.116 2.128 1.00 0.00 N ATOM 329 CA ASN A 21 12.331 7.290 1.163 1.00 0.00 C ATOM 330 C ASN A 21 11.006 7.062 1.880 1.00 0.00 C ATOM 331 O ASN A 21 10.995 6.543 2.999 1.00 0.00 O ATOM 332 CB ASN A 21 12.505 6.270 0.016 1.00 0.00 C ATOM 333 CG ASN A 21 11.690 6.591 -1.230 1.00 0.00 C ATOM 334 OD1 ASN A 21 11.401 7.864 -1.479 1.00 0.00 O flip ATOM 335 ND2 ASN A 21 11.313 5.686 -1.971 1.00 0.00 N flip ATOM 0 H ASN A 21 13.259 6.338 2.771 1.00 0.00 H new ATOM 0 HA ASN A 21 12.351 8.294 0.740 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.560 6.221 -0.255 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.222 5.281 0.377 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.550 4.718 -1.755 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.763 5.903 -2.802 1.00 0.00 H new ATOM 342 N PHE A 22 9.897 7.452 1.266 1.00 0.00 N ATOM 343 CA PHE A 22 8.587 7.273 1.886 1.00 0.00 C ATOM 344 C PHE A 22 7.689 6.459 0.949 1.00 0.00 C ATOM 345 O PHE A 22 7.508 6.825 -0.214 1.00 0.00 O ATOM 346 CB PHE A 22 7.928 8.629 2.203 1.00 0.00 C ATOM 347 CG PHE A 22 8.555 9.442 3.314 1.00 0.00 C ATOM 348 CD1 PHE A 22 9.929 9.539 3.459 1.00 0.00 C ATOM 349 CD2 PHE A 22 7.747 10.143 4.200 1.00 0.00 C ATOM 350 CE1 PHE A 22 10.487 10.308 4.462 1.00 0.00 C ATOM 351 CE2 PHE A 22 8.299 10.915 5.208 1.00 0.00 C ATOM 352 CZ PHE A 22 9.671 10.997 5.339 1.00 0.00 C ATOM 0 H PHE A 22 9.875 7.891 0.346 1.00 0.00 H new ATOM 0 HA PHE A 22 8.719 6.739 2.827 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.934 9.231 1.295 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.884 8.449 2.460 1.00 0.00 H new ATOM 0 HD1 PHE A 22 10.574 9.005 2.777 1.00 0.00 H new ATOM 0 HD2 PHE A 22 6.673 10.085 4.101 1.00 0.00 H new ATOM 0 HE1 PHE A 22 11.561 10.371 4.561 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.657 11.452 5.891 1.00 0.00 H new ATOM 0 HZ PHE A 22 10.105 11.598 6.124 1.00 0.00 H new ATOM 362 N LEU A 23 7.132 5.360 1.453 1.00 0.00 N ATOM 363 CA LEU A 23 6.329 4.457 0.632 1.00 0.00 C ATOM 364 C LEU A 23 4.896 4.948 0.563 1.00 0.00 C ATOM 365 O LEU A 23 4.456 5.739 1.397 1.00 0.00 O ATOM 366 CB LEU A 23 6.341 3.045 1.225 1.00 0.00 C ATOM 367 CG LEU A 23 6.674 1.881 0.264 1.00 0.00 C ATOM 368 CD1 LEU A 23 6.537 0.552 0.994 1.00 0.00 C ATOM 369 CD2 LEU A 23 5.784 1.886 -0.980 1.00 0.00 C ATOM 0 H LEU A 23 7.222 5.073 2.428 1.00 0.00 H new ATOM 0 HA LEU A 23 6.759 4.435 -0.370 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.063 3.027 2.041 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.361 2.853 1.662 1.00 0.00 H new ATOM 0 HG LEU A 23 7.703 2.016 -0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.773 -0.264 0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.225 0.529 1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.515 0.439 1.355 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.055 1.050 -1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.740 1.790 -0.681 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.921 2.822 -1.522 1.00 0.00 H new ATOM 381 N ASN A 24 4.186 4.487 -0.441 1.00 0.00 N ATOM 382 CA ASN A 24 2.771 4.758 -0.566 1.00 0.00 C ATOM 383 C ASN A 24 2.060 3.534 -1.126 1.00 0.00 C ATOM 384 O ASN A 24 2.335 3.106 -2.247 1.00 0.00 O ATOM 385 CB ASN A 24 2.539 5.984 -1.457 1.00 0.00 C ATOM 386 CG ASN A 24 1.078 6.245 -1.742 1.00 0.00 C ATOM 387 OD1 ASN A 24 0.514 5.731 -2.707 1.00 0.00 O ATOM 388 ND2 ASN A 24 0.458 7.069 -0.913 1.00 0.00 N ATOM 0 H ASN A 24 4.571 3.915 -1.193 1.00 0.00 H new ATOM 0 HA ASN A 24 2.360 4.977 0.419 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.971 6.862 -0.976 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.067 5.845 -2.400 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.524 7.299 -1.063 1.00 0.00 H new ATOM 0 HD22 ASN A 24 0.962 7.474 -0.124 1.00 0.00 H new ATOM 395 N CYS A 25 1.155 2.973 -0.345 1.00 0.00 N ATOM 396 CA CYS A 25 0.370 1.834 -0.780 1.00 0.00 C ATOM 397 C CYS A 25 -1.096 2.229 -0.657 1.00 0.00 C ATOM 398 O CYS A 25 -1.584 2.551 0.431 1.00 0.00 O ATOM 399 CB CYS A 25 0.711 0.593 0.054 1.00 0.00 C ATOM 400 SG CYS A 25 2.492 0.204 0.145 1.00 0.00 S ATOM 0 H CYS A 25 0.945 3.291 0.601 1.00 0.00 H new ATOM 0 HA CYS A 25 0.592 1.571 -1.814 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.332 0.736 1.066 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.186 -0.266 -0.365 1.00 0.00 H new ATOM 405 N TYR A 26 -1.781 2.219 -1.784 1.00 0.00 N ATOM 406 CA TYR A 26 -3.082 2.845 -1.902 1.00 0.00 C ATOM 407 C TYR A 26 -4.098 1.832 -2.361 1.00 0.00 C ATOM 408 O TYR A 26 -4.035 1.339 -3.491 1.00 0.00 O ATOM 409 CB TYR A 26 -3.024 3.991 -2.920 1.00 0.00 C ATOM 410 CG TYR A 26 -3.405 5.368 -2.393 1.00 0.00 C ATOM 411 CD1 TYR A 26 -4.712 5.675 -2.013 1.00 0.00 C ATOM 412 CD2 TYR A 26 -2.455 6.382 -2.327 1.00 0.00 C ATOM 413 CE1 TYR A 26 -5.048 6.947 -1.581 1.00 0.00 C ATOM 414 CE2 TYR A 26 -2.787 7.649 -1.890 1.00 0.00 C ATOM 415 CZ TYR A 26 -4.082 7.926 -1.521 1.00 0.00 C ATOM 416 OH TYR A 26 -4.412 9.189 -1.093 1.00 0.00 O ATOM 0 H TYR A 26 -1.451 1.777 -2.642 1.00 0.00 H new ATOM 0 HA TYR A 26 -3.369 3.238 -0.927 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.012 4.044 -3.321 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.684 3.746 -3.752 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.473 4.909 -2.056 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.438 6.174 -2.623 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -6.064 7.170 -1.292 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.032 8.420 -1.838 1.00 0.00 H new ATOM 0 HH TYR A 26 -3.615 9.759 -1.109 1.00 0.00 H new ATOM 426 N VAL A 27 -5.017 1.505 -1.490 1.00 0.00 N ATOM 427 CA VAL A 27 -6.102 0.636 -1.859 1.00 0.00 C ATOM 428 C VAL A 27 -7.328 1.506 -2.103 1.00 0.00 C ATOM 429 O VAL A 27 -7.599 2.437 -1.339 1.00 0.00 O ATOM 430 CB VAL A 27 -6.352 -0.443 -0.790 1.00 0.00 C ATOM 431 CG1 VAL A 27 -7.039 -1.648 -1.407 1.00 0.00 C ATOM 432 CG2 VAL A 27 -5.038 -0.859 -0.149 1.00 0.00 C ATOM 0 H VAL A 27 -5.035 1.827 -0.522 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.857 0.090 -2.770 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.003 -0.028 -0.020 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -7.209 -2.403 -0.639 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.994 -1.343 -1.834 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.407 -2.065 -2.191 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.227 -1.623 0.606 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.372 -1.260 -0.913 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.572 0.007 0.320 1.00 0.00 H new ATOM 442 N SER A 28 -8.052 1.221 -3.168 1.00 0.00 N ATOM 443 CA SER A 28 -8.980 2.191 -3.737 1.00 0.00 C ATOM 444 C SER A 28 -10.436 1.927 -3.370 1.00 0.00 C ATOM 445 O SER A 28 -10.738 0.976 -2.652 1.00 0.00 O ATOM 446 CB SER A 28 -8.794 2.247 -5.252 1.00 0.00 C ATOM 447 OG SER A 28 -8.431 0.974 -5.774 1.00 0.00 O ATOM 0 H SER A 28 -8.019 0.328 -3.659 1.00 0.00 H new ATOM 0 HA SER A 28 -8.742 3.161 -3.300 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.717 2.586 -5.722 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.024 2.977 -5.500 1.00 0.00 H new ATOM 0 HG SER A 28 -8.320 1.038 -6.746 1.00 0.00 H new ATOM 453 N GLY A 29 -11.323 2.783 -3.892 1.00 0.00 N ATOM 454 CA GLY A 29 -12.684 2.894 -3.393 1.00 0.00 C ATOM 455 C GLY A 29 -13.425 1.577 -3.274 1.00 0.00 C ATOM 456 O GLY A 29 -13.771 0.936 -4.271 1.00 0.00 O ATOM 0 H GLY A 29 -11.112 3.411 -4.667 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -12.659 3.371 -2.413 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -13.246 3.553 -4.054 1.00 0.00 H new ATOM 460 N PHE A 30 -13.673 1.200 -2.037 1.00 0.00 N ATOM 461 CA PHE A 30 -14.307 -0.067 -1.700 1.00 0.00 C ATOM 462 C PHE A 30 -15.439 0.159 -0.697 1.00 0.00 C ATOM 463 O PHE A 30 -15.752 1.300 -0.349 1.00 0.00 O ATOM 464 CB PHE A 30 -13.266 -1.008 -1.075 1.00 0.00 C ATOM 465 CG PHE A 30 -12.664 -0.441 0.181 1.00 0.00 C ATOM 466 CD1 PHE A 30 -13.325 -0.547 1.390 1.00 0.00 C ATOM 467 CD2 PHE A 30 -11.451 0.218 0.146 1.00 0.00 C ATOM 468 CE1 PHE A 30 -12.789 -0.005 2.532 1.00 0.00 C ATOM 469 CE2 PHE A 30 -10.911 0.755 1.293 1.00 0.00 C ATOM 470 CZ PHE A 30 -11.579 0.646 2.484 1.00 0.00 C ATOM 0 H PHE A 30 -13.439 1.769 -1.224 1.00 0.00 H new ATOM 0 HA PHE A 30 -14.714 -0.510 -2.609 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.735 -1.966 -0.850 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -12.475 -1.202 -1.799 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -14.273 -1.062 1.437 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -10.921 0.313 -0.790 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -13.319 -0.090 3.469 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.959 1.263 1.254 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.156 1.070 3.383 1.00 0.00 H new ATOM 480 N HIS A 31 -16.041 -0.934 -0.238 1.00 0.00 N ATOM 481 CA HIS A 31 -17.024 -0.888 0.858 1.00 0.00 C ATOM 482 C HIS A 31 -16.724 -2.045 1.821 1.00 0.00 C ATOM 483 O HIS A 31 -15.967 -2.949 1.461 1.00 0.00 O ATOM 484 CB HIS A 31 -18.490 -0.975 0.361 1.00 0.00 C ATOM 485 CG HIS A 31 -18.845 -0.006 -0.729 1.00 0.00 C ATOM 486 ND1 HIS A 31 -19.682 1.057 -0.495 1.00 0.00 N ATOM 487 CD2 HIS A 31 -18.483 -0.002 -2.034 1.00 0.00 C ATOM 488 CE1 HIS A 31 -19.807 1.681 -1.652 1.00 0.00 C ATOM 489 NE2 HIS A 31 -19.101 1.075 -2.617 1.00 0.00 N ATOM 0 H HIS A 31 -15.869 -1.870 -0.605 1.00 0.00 H new ATOM 0 HA HIS A 31 -16.929 0.075 1.359 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.678 -1.987 0.003 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -19.156 -0.808 1.207 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -17.832 -0.712 -2.523 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -20.404 2.569 -1.802 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -19.036 1.359 -3.594 1.00 0.00 H new ATOM 497 N PRO A 32 -17.280 -2.059 3.057 1.00 0.00 N ATOM 498 CA PRO A 32 -18.169 -1.015 3.592 1.00 0.00 C ATOM 499 C PRO A 32 -17.483 0.342 3.744 1.00 0.00 C ATOM 500 O PRO A 32 -17.836 1.290 3.043 1.00 0.00 O ATOM 501 CB PRO A 32 -18.596 -1.558 4.960 1.00 0.00 C ATOM 502 CG PRO A 32 -18.300 -3.014 4.907 1.00 0.00 C ATOM 503 CD PRO A 32 -17.096 -3.147 4.027 1.00 0.00 C ATOM 0 HA PRO A 32 -19.002 -0.826 2.915 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -18.046 -1.073 5.766 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -19.655 -1.377 5.143 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -18.104 -3.411 5.903 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -19.145 -3.572 4.503 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -16.169 -3.035 4.590 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -17.057 -4.121 3.540 1.00 0.00 H new ATOM 511 N SER A 33 -16.515 0.464 4.656 1.00 0.00 N ATOM 512 CA SER A 33 -15.764 1.696 4.810 1.00 0.00 C ATOM 513 C SER A 33 -14.355 1.351 5.294 1.00 0.00 C ATOM 514 O SER A 33 -13.558 2.230 5.619 1.00 0.00 O ATOM 515 CB SER A 33 -16.451 2.612 5.832 1.00 0.00 C ATOM 516 OG SER A 33 -16.649 1.943 7.070 1.00 0.00 O ATOM 0 H SER A 33 -16.239 -0.281 5.296 1.00 0.00 H new ATOM 0 HA SER A 33 -15.716 2.217 3.854 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.845 3.504 5.990 1.00 0.00 H new ATOM 0 HB3 SER A 33 -17.411 2.945 5.438 1.00 0.00 H new ATOM 0 HG SER A 33 -15.790 1.607 7.402 1.00 0.00 H new ATOM 522 N ASP A 34 -14.061 0.047 5.325 1.00 0.00 N ATOM 523 CA ASP A 34 -12.836 -0.450 5.951 1.00 0.00 C ATOM 524 C ASP A 34 -12.229 -1.622 5.178 1.00 0.00 C ATOM 525 O ASP A 34 -12.933 -2.541 4.761 1.00 0.00 O ATOM 526 CB ASP A 34 -13.107 -0.892 7.392 1.00 0.00 C ATOM 527 CG ASP A 34 -13.525 0.254 8.288 1.00 0.00 C ATOM 528 OD1 ASP A 34 -12.641 0.931 8.855 1.00 0.00 O ATOM 529 OD2 ASP A 34 -14.746 0.484 8.435 1.00 0.00 O ATOM 0 H ASP A 34 -14.654 -0.680 4.925 1.00 0.00 H new ATOM 0 HA ASP A 34 -12.124 0.375 5.942 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.888 -1.652 7.393 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -12.209 -1.357 7.799 1.00 0.00 H new ATOM 534 N ILE A 35 -10.916 -1.565 4.986 1.00 0.00 N ATOM 535 CA ILE A 35 -10.143 -2.663 4.410 1.00 0.00 C ATOM 536 C ILE A 35 -8.868 -2.791 5.218 1.00 0.00 C ATOM 537 O ILE A 35 -8.443 -1.817 5.847 1.00 0.00 O ATOM 538 CB ILE A 35 -9.763 -2.432 2.921 1.00 0.00 C ATOM 539 CG1 ILE A 35 -9.352 -3.761 2.267 1.00 0.00 C ATOM 540 CG2 ILE A 35 -8.622 -1.427 2.803 1.00 0.00 C ATOM 541 CD1 ILE A 35 -8.474 -3.605 1.035 1.00 0.00 C ATOM 0 H ILE A 35 -10.352 -0.750 5.227 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.758 -3.563 4.444 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.636 -2.031 2.406 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.822 -4.366 3.003 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.252 -4.311 1.991 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.373 -1.281 1.752 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.928 -0.476 3.239 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.748 -1.805 3.334 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.230 -4.589 0.635 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.007 -3.029 0.279 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.555 -3.085 1.306 1.00 0.00 H new ATOM 553 N GLU A 36 -8.258 -3.958 5.248 1.00 0.00 N ATOM 554 CA GLU A 36 -7.022 -4.124 5.978 1.00 0.00 C ATOM 555 C GLU A 36 -5.894 -4.394 5.000 1.00 0.00 C ATOM 556 O GLU A 36 -5.935 -5.363 4.234 1.00 0.00 O ATOM 557 CB GLU A 36 -7.145 -5.284 6.959 1.00 0.00 C ATOM 558 CG GLU A 36 -6.141 -5.224 8.098 1.00 0.00 C ATOM 559 CD GLU A 36 -6.197 -3.897 8.823 1.00 0.00 C ATOM 560 OE1 GLU A 36 -7.133 -3.686 9.619 1.00 0.00 O ATOM 561 OE2 GLU A 36 -5.310 -3.054 8.591 1.00 0.00 O ATOM 0 H GLU A 36 -8.596 -4.798 4.779 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.809 -3.213 6.537 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.153 -5.293 7.374 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.014 -6.222 6.419 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.340 -6.032 8.802 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.136 -5.383 7.706 1.00 0.00 H new ATOM 568 N VAL A 37 -4.895 -3.536 5.025 1.00 0.00 N ATOM 569 CA VAL A 37 -3.785 -3.629 4.090 1.00 0.00 C ATOM 570 C VAL A 37 -2.456 -3.456 4.827 1.00 0.00 C ATOM 571 O VAL A 37 -2.320 -2.596 5.694 1.00 0.00 O ATOM 572 CB VAL A 37 -3.936 -2.622 2.904 1.00 0.00 C ATOM 573 CG1 VAL A 37 -5.039 -1.622 3.176 1.00 0.00 C ATOM 574 CG2 VAL A 37 -2.638 -1.894 2.570 1.00 0.00 C ATOM 0 H VAL A 37 -4.826 -2.761 5.685 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.796 -4.625 3.646 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.201 -3.220 2.032 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.122 -0.934 2.335 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.984 -2.149 3.308 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.807 -1.062 4.082 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.808 -1.210 1.739 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.302 -1.331 3.441 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.875 -2.621 2.291 1.00 0.00 H new ATOM 584 N ASP A 38 -1.498 -4.306 4.488 1.00 0.00 N ATOM 585 CA ASP A 38 -0.216 -4.343 5.192 1.00 0.00 C ATOM 586 C ASP A 38 0.937 -4.221 4.208 1.00 0.00 C ATOM 587 O ASP A 38 0.767 -4.462 3.017 1.00 0.00 O ATOM 588 CB ASP A 38 -0.113 -5.628 6.045 1.00 0.00 C ATOM 589 CG ASP A 38 0.856 -6.680 5.522 1.00 0.00 C ATOM 590 OD1 ASP A 38 0.837 -6.978 4.319 1.00 0.00 O ATOM 591 OD2 ASP A 38 1.600 -7.258 6.337 1.00 0.00 O ATOM 0 H ASP A 38 -1.580 -4.982 3.729 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.156 -3.491 5.869 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.188 -5.351 7.055 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.104 -6.076 6.119 1.00 0.00 H new ATOM 596 N LEU A 39 2.090 -3.792 4.693 1.00 0.00 N ATOM 597 CA LEU A 39 3.252 -3.645 3.831 1.00 0.00 C ATOM 598 C LEU A 39 4.309 -4.687 4.152 1.00 0.00 C ATOM 599 O LEU A 39 4.533 -5.025 5.311 1.00 0.00 O ATOM 600 CB LEU A 39 3.828 -2.239 3.940 1.00 0.00 C ATOM 601 CG LEU A 39 2.790 -1.123 3.859 1.00 0.00 C ATOM 602 CD1 LEU A 39 3.461 0.225 3.711 1.00 0.00 C ATOM 603 CD2 LEU A 39 1.815 -1.366 2.723 1.00 0.00 C ATOM 0 H LEU A 39 2.247 -3.541 5.669 1.00 0.00 H new ATOM 0 HA LEU A 39 2.929 -3.804 2.802 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.364 -2.152 4.885 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.559 -2.097 3.144 1.00 0.00 H new ATOM 0 HG LEU A 39 2.225 -1.122 4.791 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.702 1.005 3.655 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.106 0.407 4.571 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.060 0.235 2.800 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.087 -0.556 2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.359 -1.405 1.779 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.298 -2.312 2.884 1.00 0.00 H new ATOM 615 N LEU A 40 4.944 -5.190 3.107 1.00 0.00 N ATOM 616 CA LEU A 40 5.866 -6.305 3.214 1.00 0.00 C ATOM 617 C LEU A 40 7.284 -5.962 2.780 1.00 0.00 C ATOM 618 O LEU A 40 7.584 -4.857 2.342 1.00 0.00 O ATOM 619 CB LEU A 40 5.388 -7.479 2.370 1.00 0.00 C ATOM 620 CG LEU A 40 3.899 -7.793 2.460 1.00 0.00 C ATOM 621 CD1 LEU A 40 3.504 -8.775 1.371 1.00 0.00 C ATOM 622 CD2 LEU A 40 3.567 -8.352 3.832 1.00 0.00 C ATOM 0 H LEU A 40 4.833 -4.834 2.157 1.00 0.00 H new ATOM 0 HA LEU A 40 5.887 -6.564 4.273 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.636 -7.279 1.328 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.947 -8.367 2.666 1.00 0.00 H new ATOM 0 HG LEU A 40 3.333 -6.873 2.315 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.438 -8.992 1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.719 -8.341 0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.071 -9.698 1.490 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.501 -8.573 3.887 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.136 -9.266 4.000 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.825 -7.618 4.596 1.00 0.00 H new ATOM 634 N LYS A 41 8.124 -6.973 2.918 1.00 0.00 N ATOM 635 CA LYS A 41 9.528 -6.936 2.536 1.00 0.00 C ATOM 636 C LYS A 41 9.950 -8.328 2.094 1.00 0.00 C ATOM 637 O LYS A 41 10.205 -9.190 2.936 1.00 0.00 O ATOM 638 CB LYS A 41 10.403 -6.473 3.693 1.00 0.00 C ATOM 639 CG LYS A 41 10.308 -4.990 3.972 1.00 0.00 C ATOM 640 CD LYS A 41 10.883 -4.651 5.337 1.00 0.00 C ATOM 641 CE LYS A 41 10.159 -5.402 6.449 1.00 0.00 C ATOM 642 NZ LYS A 41 10.686 -5.061 7.794 1.00 0.00 N ATOM 0 H LYS A 41 7.841 -7.871 3.311 1.00 0.00 H new ATOM 0 HA LYS A 41 9.653 -6.225 1.719 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.121 -7.021 4.592 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.441 -6.727 3.476 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.844 -4.437 3.201 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.266 -4.674 3.925 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.944 -4.901 5.359 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.804 -3.578 5.510 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.095 -5.170 6.408 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.257 -6.475 6.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.893 -4.916 8.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.284 -5.838 8.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 11.251 -4.190 7.735 1.00 0.00 H new ATOM 656 N ASN A 42 9.977 -8.554 0.781 1.00 0.00 N ATOM 657 CA ASN A 42 10.276 -9.875 0.199 1.00 0.00 C ATOM 658 C ASN A 42 9.231 -10.938 0.575 1.00 0.00 C ATOM 659 O ASN A 42 9.187 -12.015 -0.024 1.00 0.00 O ATOM 660 CB ASN A 42 11.681 -10.353 0.593 1.00 0.00 C ATOM 661 CG ASN A 42 12.765 -9.790 -0.308 1.00 0.00 C ATOM 662 OD1 ASN A 42 13.101 -10.385 -1.334 1.00 0.00 O ATOM 663 ND2 ASN A 42 13.333 -8.651 0.064 1.00 0.00 N ATOM 0 H ASN A 42 9.793 -7.831 0.086 1.00 0.00 H new ATOM 0 HA ASN A 42 10.237 -9.746 -0.883 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.884 -10.062 1.624 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.713 -11.442 0.557 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.073 -8.240 -0.505 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.030 -8.186 0.919 1.00 0.00 H new ATOM 670 N GLY A 43 8.401 -10.640 1.566 1.00 0.00 N ATOM 671 CA GLY A 43 7.352 -11.553 1.973 1.00 0.00 C ATOM 672 C GLY A 43 6.959 -11.376 3.425 1.00 0.00 C ATOM 673 O GLY A 43 6.035 -12.028 3.910 1.00 0.00 O ATOM 0 H GLY A 43 8.437 -9.772 2.100 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.477 -11.400 1.342 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.685 -12.578 1.813 1.00 0.00 H new ATOM 677 N GLU A 44 7.657 -10.490 4.122 1.00 0.00 N ATOM 678 CA GLU A 44 7.486 -10.318 5.553 1.00 0.00 C ATOM 679 C GLU A 44 6.867 -8.968 5.871 1.00 0.00 C ATOM 680 O GLU A 44 7.171 -7.984 5.210 1.00 0.00 O ATOM 681 CB GLU A 44 8.860 -10.404 6.177 1.00 0.00 C ATOM 682 CG GLU A 44 9.631 -11.611 5.711 1.00 0.00 C ATOM 683 CD GLU A 44 9.058 -12.911 6.229 1.00 0.00 C ATOM 684 OE1 GLU A 44 8.823 -13.020 7.450 1.00 0.00 O ATOM 685 OE2 GLU A 44 8.860 -13.836 5.418 1.00 0.00 O ATOM 0 H GLU A 44 8.356 -9.872 3.710 1.00 0.00 H new ATOM 0 HA GLU A 44 6.819 -11.086 5.945 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.422 -9.502 5.935 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.761 -10.437 7.262 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.639 -11.632 4.621 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.668 -11.522 6.036 1.00 0.00 H new ATOM 692 N ARG A 45 6.014 -8.921 6.887 1.00 0.00 N ATOM 693 CA ARG A 45 5.338 -7.685 7.249 1.00 0.00 C ATOM 694 C ARG A 45 6.309 -6.631 7.783 1.00 0.00 C ATOM 695 O ARG A 45 7.299 -6.947 8.448 1.00 0.00 O ATOM 696 CB ARG A 45 4.261 -7.947 8.303 1.00 0.00 C ATOM 697 CG ARG A 45 3.439 -6.694 8.620 1.00 0.00 C ATOM 698 CD ARG A 45 2.346 -6.905 9.666 1.00 0.00 C ATOM 699 NE ARG A 45 1.910 -5.622 10.221 1.00 0.00 N ATOM 700 CZ ARG A 45 0.979 -5.484 11.163 1.00 0.00 C ATOM 701 NH1 ARG A 45 0.335 -6.541 11.640 1.00 0.00 N ATOM 702 NH2 ARG A 45 0.685 -4.277 11.623 1.00 0.00 N ATOM 0 H ARG A 45 5.776 -9.722 7.472 1.00 0.00 H new ATOM 0 HA ARG A 45 4.881 -7.302 6.337 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.596 -8.735 7.951 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.731 -8.311 9.217 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.112 -5.911 8.969 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.980 -6.333 7.700 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.498 -7.419 9.215 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.719 -7.545 10.465 1.00 0.00 H new ATOM 0 HE ARG A 45 2.350 -4.775 9.861 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.551 -7.473 11.285 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.376 -6.422 12.362 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.171 -3.459 11.256 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.027 -4.166 12.345 1.00 0.00 H new ATOM 716 N ILE A 46 6.001 -5.383 7.474 1.00 0.00 N ATOM 717 CA ILE A 46 6.694 -4.234 8.013 1.00 0.00 C ATOM 718 C ILE A 46 5.917 -3.710 9.199 1.00 0.00 C ATOM 719 O ILE A 46 4.685 -3.691 9.179 1.00 0.00 O ATOM 720 CB ILE A 46 6.783 -3.112 6.972 1.00 0.00 C ATOM 721 CG1 ILE A 46 7.467 -3.609 5.712 1.00 0.00 C ATOM 722 CG2 ILE A 46 7.526 -1.912 7.544 1.00 0.00 C ATOM 723 CD1 ILE A 46 7.345 -2.650 4.554 1.00 0.00 C ATOM 0 H ILE A 46 5.249 -5.140 6.830 1.00 0.00 H new ATOM 0 HA ILE A 46 7.700 -4.539 8.300 1.00 0.00 H new ATOM 0 HB ILE A 46 5.771 -2.800 6.714 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.522 -3.782 5.923 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.037 -4.569 5.427 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.580 -1.125 6.792 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.996 -1.540 8.421 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.535 -2.211 7.829 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.855 -3.064 3.684 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.292 -2.496 4.319 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.800 -1.696 4.822 1.00 0.00 H new ATOM 735 N GLU A 47 6.617 -3.293 10.229 1.00 0.00 N ATOM 736 CA GLU A 47 5.979 -2.844 11.457 1.00 0.00 C ATOM 737 C GLU A 47 5.724 -1.327 11.479 1.00 0.00 C ATOM 738 O GLU A 47 4.655 -0.894 11.903 1.00 0.00 O ATOM 739 CB GLU A 47 6.828 -3.269 12.670 1.00 0.00 C ATOM 740 CG GLU A 47 8.334 -3.349 12.413 1.00 0.00 C ATOM 741 CD GLU A 47 8.759 -4.568 11.619 1.00 0.00 C ATOM 742 OE1 GLU A 47 8.728 -5.686 12.172 1.00 0.00 O ATOM 743 OE2 GLU A 47 9.143 -4.405 10.439 1.00 0.00 O ATOM 0 H GLU A 47 7.636 -3.253 10.246 1.00 0.00 H new ATOM 0 HA GLU A 47 5.000 -3.321 11.507 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.651 -2.564 13.482 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.481 -4.244 13.013 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.649 -2.452 11.880 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.856 -3.351 13.370 1.00 0.00 H new ATOM 750 N LYS A 48 6.705 -0.525 11.043 1.00 0.00 N ATOM 751 CA LYS A 48 6.574 0.935 11.005 1.00 0.00 C ATOM 752 C LYS A 48 5.420 1.441 10.140 1.00 0.00 C ATOM 753 O LYS A 48 5.169 2.646 10.096 1.00 0.00 O ATOM 754 CB LYS A 48 7.867 1.542 10.497 1.00 0.00 C ATOM 755 CG LYS A 48 9.042 1.164 11.356 1.00 0.00 C ATOM 756 CD LYS A 48 10.338 1.750 10.839 1.00 0.00 C ATOM 757 CE LYS A 48 10.696 1.160 9.489 1.00 0.00 C ATOM 758 NZ LYS A 48 11.914 1.786 8.910 1.00 0.00 N ATOM 0 H LYS A 48 7.605 -0.869 10.709 1.00 0.00 H new ATOM 0 HA LYS A 48 6.355 1.244 12.027 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.045 1.212 9.474 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.772 2.628 10.470 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.870 1.508 12.376 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.126 0.078 11.396 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.244 2.833 10.754 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.140 1.554 11.551 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.855 0.087 9.594 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.860 1.293 8.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.645 2.395 8.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.389 2.359 9.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.561 1.043 8.577 1.00 0.00 H new ATOM 772 N VAL A 49 4.742 0.544 9.444 1.00 0.00 N ATOM 773 CA VAL A 49 3.610 0.931 8.619 1.00 0.00 C ATOM 774 C VAL A 49 2.532 1.628 9.437 1.00 0.00 C ATOM 775 O VAL A 49 2.086 1.120 10.469 1.00 0.00 O ATOM 776 CB VAL A 49 2.975 -0.276 7.924 1.00 0.00 C ATOM 777 CG1 VAL A 49 1.839 0.183 7.021 1.00 0.00 C ATOM 778 CG2 VAL A 49 4.020 -1.047 7.141 1.00 0.00 C ATOM 0 H VAL A 49 4.955 -0.454 9.433 1.00 0.00 H new ATOM 0 HA VAL A 49 4.006 1.617 7.870 1.00 0.00 H new ATOM 0 HB VAL A 49 2.563 -0.946 8.679 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.392 -0.682 6.530 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.083 0.692 7.618 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.227 0.868 6.267 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.552 -1.902 6.653 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.463 -0.396 6.387 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.798 -1.398 7.820 1.00 0.00 H new ATOM 788 N GLU A 50 2.122 2.789 8.963 1.00 0.00 N ATOM 789 CA GLU A 50 1.069 3.543 9.603 1.00 0.00 C ATOM 790 C GLU A 50 0.015 3.940 8.588 1.00 0.00 C ATOM 791 O GLU A 50 0.314 4.186 7.416 1.00 0.00 O ATOM 792 CB GLU A 50 1.614 4.809 10.262 1.00 0.00 C ATOM 793 CG GLU A 50 2.656 4.567 11.336 1.00 0.00 C ATOM 794 CD GLU A 50 3.065 5.856 12.015 1.00 0.00 C ATOM 795 OE1 GLU A 50 2.668 6.073 13.182 1.00 0.00 O ATOM 796 OE2 GLU A 50 3.752 6.677 11.377 1.00 0.00 O ATOM 0 H GLU A 50 2.508 3.231 8.129 1.00 0.00 H new ATOM 0 HA GLU A 50 0.630 2.904 10.369 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.048 5.445 9.491 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.782 5.361 10.700 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.260 3.874 12.078 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.533 4.094 10.893 1.00 0.00 H new ATOM 803 N HIS A 51 -1.211 3.987 9.048 1.00 0.00 N ATOM 804 CA HIS A 51 -2.300 4.534 8.261 1.00 0.00 C ATOM 805 C HIS A 51 -2.754 5.851 8.875 1.00 0.00 C ATOM 806 O HIS A 51 -2.964 5.945 10.087 1.00 0.00 O ATOM 807 CB HIS A 51 -3.470 3.550 8.143 1.00 0.00 C ATOM 808 CG HIS A 51 -4.056 3.095 9.450 1.00 0.00 C ATOM 809 ND1 HIS A 51 -3.510 2.328 10.426 1.00 0.00 N flip ATOM 810 CD2 HIS A 51 -5.336 3.434 9.814 1.00 0.00 C flip ATOM 811 CE1 HIS A 51 -4.463 2.189 11.402 1.00 0.00 C flip ATOM 812 NE2 HIS A 51 -5.538 2.870 10.989 1.00 0.00 N flip ATOM 0 H HIS A 51 -1.486 3.651 9.971 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.938 4.713 7.249 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.258 4.016 7.552 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.133 2.674 7.589 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.034 4.038 9.253 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -4.365 1.637 12.325 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -6.407 2.944 11.518 1.00 0.00 H new ATOM 820 N SER A 52 -2.836 6.878 8.050 1.00 0.00 N ATOM 821 CA SER A 52 -3.236 8.195 8.514 1.00 0.00 C ATOM 822 C SER A 52 -4.756 8.346 8.443 1.00 0.00 C ATOM 823 O SER A 52 -5.479 7.350 8.377 1.00 0.00 O ATOM 824 CB SER A 52 -2.537 9.280 7.685 1.00 0.00 C ATOM 825 OG SER A 52 -2.621 10.549 8.317 1.00 0.00 O ATOM 0 H SER A 52 -2.630 6.826 7.052 1.00 0.00 H new ATOM 0 HA SER A 52 -2.934 8.311 9.555 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.490 9.012 7.541 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.992 9.334 6.696 1.00 0.00 H new ATOM 0 HG SER A 52 -2.165 11.220 7.766 1.00 0.00 H new ATOM 973 N PHE A 62 -14.595 6.020 -0.705 1.00 0.00 N ATOM 974 CA PHE A 62 -13.569 6.393 0.249 1.00 0.00 C ATOM 975 C PHE A 62 -12.290 5.626 -0.057 1.00 0.00 C ATOM 976 O PHE A 62 -12.339 4.492 -0.536 1.00 0.00 O ATOM 977 CB PHE A 62 -14.033 6.079 1.678 1.00 0.00 C ATOM 978 CG PHE A 62 -15.481 6.410 1.958 1.00 0.00 C ATOM 979 CD1 PHE A 62 -15.830 7.565 2.645 1.00 0.00 C ATOM 980 CD2 PHE A 62 -16.494 5.550 1.550 1.00 0.00 C ATOM 981 CE1 PHE A 62 -17.158 7.852 2.920 1.00 0.00 C ATOM 982 CE2 PHE A 62 -17.820 5.836 1.818 1.00 0.00 C ATOM 983 CZ PHE A 62 -18.151 6.986 2.505 1.00 0.00 C ATOM 0 HA PHE A 62 -13.381 7.464 0.169 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -13.872 5.019 1.873 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -13.406 6.631 2.379 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -15.058 8.247 2.969 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -16.242 4.646 1.016 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -17.416 8.752 3.458 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -18.596 5.160 1.490 1.00 0.00 H new ATOM 0 HZ PHE A 62 -19.186 7.209 2.718 1.00 0.00 H new ATOM 993 N TYR A 63 -11.152 6.247 0.205 1.00 0.00 N ATOM 994 CA TYR A 63 -9.866 5.626 -0.065 1.00 0.00 C ATOM 995 C TYR A 63 -9.063 5.563 1.231 1.00 0.00 C ATOM 996 O TYR A 63 -9.200 6.441 2.074 1.00 0.00 O ATOM 997 CB TYR A 63 -9.105 6.434 -1.130 1.00 0.00 C ATOM 998 CG TYR A 63 -10.012 7.199 -2.074 1.00 0.00 C ATOM 999 CD1 TYR A 63 -10.526 6.609 -3.223 1.00 0.00 C ATOM 1000 CD2 TYR A 63 -10.359 8.518 -1.804 1.00 0.00 C ATOM 1001 CE1 TYR A 63 -11.358 7.313 -4.076 1.00 0.00 C ATOM 1002 CE2 TYR A 63 -11.190 9.226 -2.649 1.00 0.00 C ATOM 1003 CZ TYR A 63 -11.686 8.620 -3.784 1.00 0.00 C ATOM 1004 OH TYR A 63 -12.508 9.328 -4.633 1.00 0.00 O ATOM 0 H TYR A 63 -11.093 7.183 0.605 1.00 0.00 H new ATOM 0 HA TYR A 63 -10.017 4.616 -0.445 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.437 7.137 -0.632 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -8.479 5.756 -1.710 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -10.272 5.585 -3.454 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -9.971 8.997 -0.917 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.748 6.841 -4.966 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -11.450 10.249 -2.422 1.00 0.00 H new ATOM 0 HH TYR A 63 -12.641 10.233 -4.281 1.00 0.00 H new ATOM 1014 N LEU A 64 -8.236 4.536 1.404 1.00 0.00 N ATOM 1015 CA LEU A 64 -7.446 4.400 2.631 1.00 0.00 C ATOM 1016 C LEU A 64 -5.965 4.183 2.314 1.00 0.00 C ATOM 1017 O LEU A 64 -5.613 3.392 1.434 1.00 0.00 O ATOM 1018 CB LEU A 64 -8.051 3.289 3.517 1.00 0.00 C ATOM 1019 CG LEU A 64 -7.165 2.702 4.616 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -8.017 2.342 5.819 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -6.446 1.467 4.104 1.00 0.00 C ATOM 0 H LEU A 64 -8.094 3.792 0.721 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.491 5.329 3.200 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.951 3.686 3.987 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.365 2.473 2.866 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.422 3.444 4.909 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.384 1.924 6.601 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.514 3.237 6.194 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.767 1.606 5.527 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.818 1.057 4.895 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.179 0.720 3.799 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.824 1.736 3.250 1.00 0.00 H new ATOM 1033 N LEU A 65 -5.104 4.919 3.023 1.00 0.00 N ATOM 1034 CA LEU A 65 -3.672 4.938 2.747 1.00 0.00 C ATOM 1035 C LEU A 65 -2.904 4.181 3.829 1.00 0.00 C ATOM 1036 O LEU A 65 -3.176 4.334 5.019 1.00 0.00 O ATOM 1037 CB LEU A 65 -3.183 6.392 2.718 1.00 0.00 C ATOM 1038 CG LEU A 65 -2.085 6.753 1.701 1.00 0.00 C ATOM 1039 CD1 LEU A 65 -1.798 8.252 1.764 1.00 0.00 C ATOM 1040 CD2 LEU A 65 -0.800 5.972 1.942 1.00 0.00 C ATOM 0 H LEU A 65 -5.383 5.516 3.802 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.496 4.457 1.785 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.044 7.032 2.525 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.815 6.643 3.713 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.452 6.484 0.711 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.020 8.504 1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.706 8.807 1.527 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.462 8.516 2.767 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.055 6.260 1.201 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.422 6.192 2.941 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.002 4.904 1.858 1.00 0.00 H new ATOM 1052 N TYR A 66 -1.942 3.386 3.402 1.00 0.00 N ATOM 1053 CA TYR A 66 -1.029 2.699 4.309 1.00 0.00 C ATOM 1054 C TYR A 66 0.403 2.914 3.837 1.00 0.00 C ATOM 1055 O TYR A 66 0.761 2.527 2.725 1.00 0.00 O ATOM 1056 CB TYR A 66 -1.348 1.209 4.374 1.00 0.00 C ATOM 1057 CG TYR A 66 -2.215 0.771 5.538 1.00 0.00 C ATOM 1058 CD1 TYR A 66 -1.644 0.459 6.770 1.00 0.00 C ATOM 1059 CD2 TYR A 66 -3.587 0.617 5.397 1.00 0.00 C ATOM 1060 CE1 TYR A 66 -2.419 0.005 7.822 1.00 0.00 C ATOM 1061 CE2 TYR A 66 -4.363 0.171 6.450 1.00 0.00 C ATOM 1062 CZ TYR A 66 -3.773 -0.135 7.654 1.00 0.00 C ATOM 1063 OH TYR A 66 -4.539 -0.589 8.698 1.00 0.00 O ATOM 0 H TYR A 66 -1.767 3.195 2.415 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.148 3.110 5.311 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.845 0.922 3.447 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.409 0.657 4.417 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.579 0.574 6.906 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -4.055 0.849 4.452 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.961 -0.238 8.769 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -5.431 0.063 6.328 1.00 0.00 H new ATOM 0 HH TYR A 66 -5.077 -1.352 8.401 1.00 0.00 H new ATOM 1073 N TYR A 67 1.211 3.555 4.668 1.00 0.00 N ATOM 1074 CA TYR A 67 2.571 3.911 4.266 1.00 0.00 C ATOM 1075 C TYR A 67 3.578 3.650 5.376 1.00 0.00 C ATOM 1076 O TYR A 67 3.210 3.465 6.536 1.00 0.00 O ATOM 1077 CB TYR A 67 2.643 5.386 3.832 1.00 0.00 C ATOM 1078 CG TYR A 67 2.280 6.380 4.917 1.00 0.00 C ATOM 1079 CD1 TYR A 67 3.265 6.977 5.696 1.00 0.00 C ATOM 1080 CD2 TYR A 67 0.957 6.727 5.156 1.00 0.00 C ATOM 1081 CE1 TYR A 67 2.939 7.889 6.683 1.00 0.00 C ATOM 1082 CE2 TYR A 67 0.624 7.639 6.139 1.00 0.00 C ATOM 1083 CZ TYR A 67 1.617 8.217 6.898 1.00 0.00 C ATOM 1084 OH TYR A 67 1.286 9.121 7.881 1.00 0.00 O ATOM 0 H TYR A 67 0.957 3.838 5.614 1.00 0.00 H new ATOM 0 HA TYR A 67 2.830 3.275 3.420 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.654 5.600 3.484 1.00 0.00 H new ATOM 0 HB3 TYR A 67 1.976 5.535 2.983 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.301 6.724 5.527 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.175 6.276 4.563 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.715 8.342 7.282 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.410 7.897 6.311 1.00 0.00 H new ATOM 0 HH TYR A 67 2.018 9.763 7.995 1.00 0.00 H new ATOM 1094 N THR A 68 4.853 3.638 5.004 1.00 0.00 N ATOM 1095 CA THR A 68 5.937 3.426 5.956 1.00 0.00 C ATOM 1096 C THR A 68 7.209 4.116 5.462 1.00 0.00 C ATOM 1097 O THR A 68 7.452 4.196 4.252 1.00 0.00 O ATOM 1098 CB THR A 68 6.212 1.915 6.160 1.00 0.00 C ATOM 1099 OG1 THR A 68 7.224 1.717 7.158 1.00 0.00 O ATOM 1100 CG2 THR A 68 6.643 1.252 4.857 1.00 0.00 C ATOM 0 H THR A 68 5.163 3.774 4.042 1.00 0.00 H new ATOM 0 HA THR A 68 5.636 3.855 6.912 1.00 0.00 H new ATOM 0 HB THR A 68 5.283 1.454 6.494 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.908 1.106 6.813 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.829 0.192 5.032 1.00 0.00 H new ATOM 0 HG22 THR A 68 5.854 1.364 4.113 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.555 1.725 4.492 1.00 0.00 H new ATOM 1108 N GLU A 69 7.988 4.655 6.389 1.00 0.00 N ATOM 1109 CA GLU A 69 9.278 5.214 6.058 1.00 0.00 C ATOM 1110 C GLU A 69 10.308 4.116 5.975 1.00 0.00 C ATOM 1111 O GLU A 69 10.413 3.275 6.871 1.00 0.00 O ATOM 1112 CB GLU A 69 9.685 6.233 7.108 1.00 0.00 C ATOM 1113 CG GLU A 69 8.608 7.246 7.350 1.00 0.00 C ATOM 1114 CD GLU A 69 9.056 8.380 8.243 1.00 0.00 C ATOM 1115 OE1 GLU A 69 8.235 8.872 9.044 1.00 0.00 O ATOM 1116 OE2 GLU A 69 10.239 8.770 8.168 1.00 0.00 O ATOM 0 H GLU A 69 7.743 4.714 7.377 1.00 0.00 H new ATOM 0 HA GLU A 69 9.213 5.711 5.090 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.917 5.720 8.041 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.595 6.740 6.788 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.277 7.652 6.394 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.747 6.753 7.802 1.00 0.00 H new ATOM 1123 N PHE A 70 11.069 4.127 4.906 1.00 0.00 N ATOM 1124 CA PHE A 70 12.014 3.057 4.658 1.00 0.00 C ATOM 1125 C PHE A 70 13.296 3.581 4.012 1.00 0.00 C ATOM 1126 O PHE A 70 13.332 4.701 3.503 1.00 0.00 O ATOM 1127 CB PHE A 70 11.375 1.942 3.801 1.00 0.00 C ATOM 1128 CG PHE A 70 10.949 2.346 2.408 1.00 0.00 C ATOM 1129 CD1 PHE A 70 10.943 1.418 1.383 1.00 0.00 C ATOM 1130 CD2 PHE A 70 10.547 3.637 2.124 1.00 0.00 C ATOM 1131 CE1 PHE A 70 10.550 1.769 0.102 1.00 0.00 C ATOM 1132 CE2 PHE A 70 10.153 3.997 0.848 1.00 0.00 C ATOM 1133 CZ PHE A 70 10.155 3.062 -0.166 1.00 0.00 C ATOM 0 H PHE A 70 11.055 4.859 4.196 1.00 0.00 H new ATOM 0 HA PHE A 70 12.285 2.627 5.622 1.00 0.00 H new ATOM 0 HB2 PHE A 70 12.086 1.120 3.719 1.00 0.00 H new ATOM 0 HB3 PHE A 70 10.503 1.558 4.330 1.00 0.00 H new ATOM 0 HD1 PHE A 70 11.250 0.402 1.585 1.00 0.00 H new ATOM 0 HD2 PHE A 70 10.540 4.377 2.911 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.553 1.030 -0.686 1.00 0.00 H new ATOM 0 HE2 PHE A 70 9.843 5.012 0.645 1.00 0.00 H new ATOM 0 HZ PHE A 70 9.849 3.341 -1.163 1.00 0.00 H new ATOM 1143 N THR A 71 14.347 2.779 4.067 1.00 0.00 N ATOM 1144 CA THR A 71 15.580 3.067 3.356 1.00 0.00 C ATOM 1145 C THR A 71 15.869 1.947 2.346 1.00 0.00 C ATOM 1146 O THR A 71 16.524 0.962 2.681 1.00 0.00 O ATOM 1147 CB THR A 71 16.769 3.197 4.333 1.00 0.00 C ATOM 1148 OG1 THR A 71 16.429 4.101 5.394 1.00 0.00 O ATOM 1149 CG2 THR A 71 18.021 3.696 3.619 1.00 0.00 C ATOM 0 H THR A 71 14.369 1.912 4.605 1.00 0.00 H new ATOM 0 HA THR A 71 15.457 4.016 2.834 1.00 0.00 H new ATOM 0 HB THR A 71 16.980 2.209 4.742 1.00 0.00 H new ATOM 0 HG1 THR A 71 17.185 4.179 6.012 1.00 0.00 H new ATOM 0 HG21 THR A 71 18.840 3.777 4.334 1.00 0.00 H new ATOM 0 HG22 THR A 71 18.295 2.994 2.831 1.00 0.00 H new ATOM 0 HG23 THR A 71 17.824 4.674 3.181 1.00 0.00 H new ATOM 1157 N PRO A 72 15.333 2.067 1.117 1.00 0.00 N ATOM 1158 CA PRO A 72 15.532 1.074 0.046 1.00 0.00 C ATOM 1159 C PRO A 72 16.994 0.776 -0.231 1.00 0.00 C ATOM 1160 O PRO A 72 17.859 1.644 -0.097 1.00 0.00 O ATOM 1161 CB PRO A 72 14.901 1.736 -1.197 1.00 0.00 C ATOM 1162 CG PRO A 72 14.673 3.163 -0.817 1.00 0.00 C ATOM 1163 CD PRO A 72 14.479 3.171 0.671 1.00 0.00 C ATOM 0 HA PRO A 72 15.089 0.117 0.322 1.00 0.00 H new ATOM 0 HB2 PRO A 72 15.562 1.661 -2.060 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.965 1.248 -1.469 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.523 3.783 -1.103 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.798 3.567 -1.326 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.782 4.120 1.113 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.436 3.011 0.944 1.00 0.00 H new ATOM 1171 N THR A 73 17.255 -0.457 -0.629 1.00 0.00 N ATOM 1172 CA THR A 73 18.590 -0.886 -0.980 1.00 0.00 C ATOM 1173 C THR A 73 18.527 -1.730 -2.238 1.00 0.00 C ATOM 1174 O THR A 73 17.441 -2.072 -2.703 1.00 0.00 O ATOM 1175 CB THR A 73 19.273 -1.708 0.144 1.00 0.00 C ATOM 1176 OG1 THR A 73 18.616 -2.965 0.306 1.00 0.00 O ATOM 1177 CG2 THR A 73 19.241 -0.962 1.468 1.00 0.00 C ATOM 0 H THR A 73 16.546 -1.185 -0.717 1.00 0.00 H new ATOM 0 HA THR A 73 19.187 0.012 -1.137 1.00 0.00 H new ATOM 0 HB THR A 73 20.311 -1.866 -0.149 1.00 0.00 H new ATOM 0 HG1 THR A 73 17.989 -2.912 1.057 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.727 -1.563 2.236 1.00 0.00 H new ATOM 0 HG22 THR A 73 19.767 -0.013 1.364 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.206 -0.774 1.755 1.00 0.00 H new ATOM 1185 N GLU A 74 19.670 -2.041 -2.807 1.00 0.00 N ATOM 1186 CA GLU A 74 19.715 -2.895 -3.984 1.00 0.00 C ATOM 1187 C GLU A 74 19.140 -4.279 -3.675 1.00 0.00 C ATOM 1188 O GLU A 74 18.463 -4.891 -4.506 1.00 0.00 O ATOM 1189 CB GLU A 74 21.160 -3.041 -4.452 1.00 0.00 C ATOM 1190 CG GLU A 74 21.319 -3.209 -5.937 1.00 0.00 C ATOM 1191 CD GLU A 74 21.286 -1.884 -6.667 1.00 0.00 C ATOM 1192 OE1 GLU A 74 22.346 -1.225 -6.755 1.00 0.00 O ATOM 1193 OE2 GLU A 74 20.206 -1.496 -7.158 1.00 0.00 O ATOM 0 H GLU A 74 20.581 -1.719 -2.479 1.00 0.00 H new ATOM 0 HA GLU A 74 19.113 -2.435 -4.768 1.00 0.00 H new ATOM 0 HB2 GLU A 74 21.722 -2.162 -4.136 1.00 0.00 H new ATOM 0 HB3 GLU A 74 21.606 -3.901 -3.952 1.00 0.00 H new ATOM 0 HG2 GLU A 74 22.262 -3.714 -6.145 1.00 0.00 H new ATOM 0 HG3 GLU A 74 20.524 -3.851 -6.316 1.00 0.00 H new ATOM 1200 N LYS A 75 19.409 -4.745 -2.465 1.00 0.00 N ATOM 1201 CA LYS A 75 19.127 -6.102 -2.060 1.00 0.00 C ATOM 1202 C LYS A 75 17.705 -6.287 -1.544 1.00 0.00 C ATOM 1203 O LYS A 75 17.138 -7.374 -1.681 1.00 0.00 O ATOM 1204 CB LYS A 75 20.120 -6.512 -0.969 1.00 0.00 C ATOM 1205 CG LYS A 75 21.564 -6.579 -1.437 1.00 0.00 C ATOM 1206 CD LYS A 75 22.499 -5.990 -0.401 1.00 0.00 C ATOM 1207 CE LYS A 75 23.959 -6.123 -0.815 1.00 0.00 C ATOM 1208 NZ LYS A 75 24.366 -7.543 -0.970 1.00 0.00 N ATOM 0 H LYS A 75 19.835 -4.179 -1.731 1.00 0.00 H new ATOM 0 HA LYS A 75 19.229 -6.733 -2.943 1.00 0.00 H new ATOM 0 HB2 LYS A 75 20.049 -5.803 -0.144 1.00 0.00 H new ATOM 0 HB3 LYS A 75 19.831 -7.487 -0.577 1.00 0.00 H new ATOM 0 HG2 LYS A 75 21.839 -7.616 -1.632 1.00 0.00 H new ATOM 0 HG3 LYS A 75 21.671 -6.038 -2.377 1.00 0.00 H new ATOM 0 HD2 LYS A 75 22.258 -4.938 -0.251 1.00 0.00 H new ATOM 0 HD3 LYS A 75 22.345 -6.492 0.554 1.00 0.00 H new ATOM 0 HE2 LYS A 75 24.119 -5.595 -1.755 1.00 0.00 H new ATOM 0 HE3 LYS A 75 24.593 -5.644 -0.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 25.404 -7.605 -1.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 24.009 -8.096 -0.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 23.971 -7.923 -1.854 1.00 0.00 H new ATOM 1222 N ASP A 76 17.113 -5.248 -0.966 1.00 0.00 N ATOM 1223 CA ASP A 76 15.818 -5.419 -0.313 1.00 0.00 C ATOM 1224 C ASP A 76 14.654 -5.130 -1.269 1.00 0.00 C ATOM 1225 O ASP A 76 14.855 -4.686 -2.401 1.00 0.00 O ATOM 1226 CB ASP A 76 15.718 -4.553 0.960 1.00 0.00 C ATOM 1227 CG ASP A 76 15.751 -3.054 0.715 1.00 0.00 C ATOM 1228 OD1 ASP A 76 16.424 -2.356 1.501 1.00 0.00 O ATOM 1229 OD2 ASP A 76 15.124 -2.563 -0.238 1.00 0.00 O ATOM 0 H ASP A 76 17.495 -4.303 -0.935 1.00 0.00 H new ATOM 0 HA ASP A 76 15.742 -6.465 -0.017 1.00 0.00 H new ATOM 0 HB2 ASP A 76 14.793 -4.802 1.480 1.00 0.00 H new ATOM 0 HB3 ASP A 76 16.539 -4.816 1.627 1.00 0.00 H new ATOM 1234 N GLU A 77 13.442 -5.417 -0.810 1.00 0.00 N ATOM 1235 CA GLU A 77 12.238 -5.191 -1.591 1.00 0.00 C ATOM 1236 C GLU A 77 11.064 -5.091 -0.639 1.00 0.00 C ATOM 1237 O GLU A 77 11.030 -5.788 0.371 1.00 0.00 O ATOM 1238 CB GLU A 77 12.034 -6.335 -2.614 1.00 0.00 C ATOM 1239 CG GLU A 77 10.688 -6.357 -3.367 1.00 0.00 C ATOM 1240 CD GLU A 77 9.722 -7.385 -2.807 1.00 0.00 C ATOM 1241 OE1 GLU A 77 9.223 -7.216 -1.673 1.00 0.00 O ATOM 1242 OE2 GLU A 77 9.459 -8.384 -3.510 1.00 0.00 O ATOM 0 H GLU A 77 13.269 -5.813 0.114 1.00 0.00 H new ATOM 0 HA GLU A 77 12.325 -4.263 -2.157 1.00 0.00 H new ATOM 0 HB2 GLU A 77 12.835 -6.280 -3.351 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.147 -7.284 -2.090 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.231 -5.369 -3.315 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.869 -6.570 -4.421 1.00 0.00 H new ATOM 1249 N TYR A 78 10.131 -4.215 -0.947 1.00 0.00 N ATOM 1250 CA TYR A 78 8.968 -4.002 -0.117 1.00 0.00 C ATOM 1251 C TYR A 78 7.718 -4.259 -0.934 1.00 0.00 C ATOM 1252 O TYR A 78 7.719 -4.069 -2.149 1.00 0.00 O ATOM 1253 CB TYR A 78 8.953 -2.571 0.445 1.00 0.00 C ATOM 1254 CG TYR A 78 10.243 -2.157 1.129 1.00 0.00 C ATOM 1255 CD1 TYR A 78 10.311 -2.016 2.509 1.00 0.00 C ATOM 1256 CD2 TYR A 78 11.399 -1.913 0.393 1.00 0.00 C ATOM 1257 CE1 TYR A 78 11.489 -1.647 3.132 1.00 0.00 C ATOM 1258 CE2 TYR A 78 12.577 -1.545 1.008 1.00 0.00 C ATOM 1259 CZ TYR A 78 12.617 -1.411 2.378 1.00 0.00 C ATOM 1260 OH TYR A 78 13.794 -1.050 3.000 1.00 0.00 O ATOM 0 H TYR A 78 10.159 -3.630 -1.782 1.00 0.00 H new ATOM 0 HA TYR A 78 9.001 -4.693 0.725 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.747 -1.875 -0.369 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.132 -2.481 1.157 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.429 -2.198 3.105 1.00 0.00 H new ATOM 0 HD2 TYR A 78 11.373 -2.014 -0.682 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.524 -1.544 4.207 1.00 0.00 H new ATOM 0 HE2 TYR A 78 13.463 -1.363 0.419 1.00 0.00 H new ATOM 0 HH TYR A 78 14.551 -1.456 2.529 1.00 0.00 H new ATOM 1270 N ALA A 79 6.661 -4.705 -0.278 1.00 0.00 N ATOM 1271 CA ALA A 79 5.418 -5.033 -0.972 1.00 0.00 C ATOM 1272 C ALA A 79 4.210 -4.453 -0.247 1.00 0.00 C ATOM 1273 O ALA A 79 4.313 -4.042 0.901 1.00 0.00 O ATOM 1274 CB ALA A 79 5.274 -6.539 -1.124 1.00 0.00 C ATOM 0 H ALA A 79 6.634 -4.850 0.731 1.00 0.00 H new ATOM 0 HA ALA A 79 5.461 -4.584 -1.964 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.343 -6.765 -1.643 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.114 -6.929 -1.699 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.262 -7.005 -0.139 1.00 0.00 H new ATOM 1280 N CYS A 80 3.084 -4.382 -0.930 1.00 0.00 N ATOM 1281 CA CYS A 80 1.848 -3.903 -0.320 1.00 0.00 C ATOM 1282 C CYS A 80 0.748 -4.979 -0.467 1.00 0.00 C ATOM 1283 O CYS A 80 0.503 -5.478 -1.569 1.00 0.00 O ATOM 1284 CB CYS A 80 1.442 -2.564 -0.976 1.00 0.00 C ATOM 1285 SG CYS A 80 2.823 -1.363 -1.130 1.00 0.00 S ATOM 0 H CYS A 80 2.994 -4.649 -1.910 1.00 0.00 H new ATOM 0 HA CYS A 80 1.993 -3.724 0.745 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.036 -2.765 -1.967 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.643 -2.111 -0.390 1.00 0.00 H new ATOM 1290 N ARG A 81 0.108 -5.342 0.653 1.00 0.00 N ATOM 1291 CA ARG A 81 -0.891 -6.429 0.706 1.00 0.00 C ATOM 1292 C ARG A 81 -2.260 -5.871 1.050 1.00 0.00 C ATOM 1293 O ARG A 81 -2.350 -4.917 1.811 1.00 0.00 O ATOM 1294 CB ARG A 81 -0.533 -7.411 1.825 1.00 0.00 C ATOM 1295 CG ARG A 81 -1.219 -8.766 1.750 1.00 0.00 C ATOM 1296 CD ARG A 81 -1.309 -9.410 3.134 1.00 0.00 C ATOM 1297 NE ARG A 81 -0.069 -9.331 3.890 1.00 0.00 N ATOM 1298 CZ ARG A 81 0.397 -10.308 4.667 1.00 0.00 C ATOM 1299 NH1 ARG A 81 -0.207 -11.492 4.703 1.00 0.00 N ATOM 1300 NH2 ARG A 81 1.465 -10.096 5.419 1.00 0.00 N ATOM 0 H ARG A 81 0.266 -4.891 1.554 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.900 -6.918 -0.268 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.546 -7.568 1.816 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.780 -6.951 2.782 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.219 -8.649 1.333 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.667 -9.420 1.075 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.103 -8.925 3.701 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.591 -10.457 3.022 1.00 0.00 H new ATOM 0 HE ARG A 81 0.479 -8.473 3.821 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.036 -11.659 4.132 1.00 0.00 H new ATOM 0 HH12 ARG A 81 0.158 -12.233 5.301 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.928 -9.187 5.402 1.00 0.00 H new ATOM 0 HH22 ARG A 81 1.825 -10.841 6.015 1.00 0.00 H new ATOM 1314 N VAL A 82 -3.325 -6.462 0.516 1.00 0.00 N ATOM 1315 CA VAL A 82 -4.665 -6.134 0.989 1.00 0.00 C ATOM 1316 C VAL A 82 -5.499 -7.386 1.172 1.00 0.00 C ATOM 1317 O VAL A 82 -5.391 -8.354 0.411 1.00 0.00 O ATOM 1318 CB VAL A 82 -5.419 -5.144 0.075 1.00 0.00 C ATOM 1319 CG1 VAL A 82 -4.481 -4.094 -0.443 1.00 0.00 C ATOM 1320 CG2 VAL A 82 -6.137 -5.844 -1.064 1.00 0.00 C ATOM 0 H VAL A 82 -3.289 -7.157 -0.230 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.520 -5.639 1.949 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.187 -4.661 0.679 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.027 -3.403 -1.086 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.050 -3.546 0.395 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.684 -4.569 -1.015 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.652 -5.105 -1.678 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.412 -6.382 -1.675 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.863 -6.548 -0.658 1.00 0.00 H new ATOM 1330 N ASN A 83 -6.306 -7.364 2.210 1.00 0.00 N ATOM 1331 CA ASN A 83 -7.214 -8.455 2.511 1.00 0.00 C ATOM 1332 C ASN A 83 -8.653 -7.968 2.487 1.00 0.00 C ATOM 1333 O ASN A 83 -9.026 -7.086 3.263 1.00 0.00 O ATOM 1334 CB ASN A 83 -6.916 -9.040 3.902 1.00 0.00 C ATOM 1335 CG ASN A 83 -5.463 -9.444 4.092 1.00 0.00 C ATOM 1336 OD1 ASN A 83 -5.093 -10.592 3.879 1.00 0.00 O ATOM 1337 ND2 ASN A 83 -4.624 -8.505 4.495 1.00 0.00 N ATOM 0 H ASN A 83 -6.353 -6.589 2.872 1.00 0.00 H new ATOM 0 HA ASN A 83 -7.072 -9.225 1.753 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.183 -8.305 4.661 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.551 -9.911 4.065 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.639 -8.728 4.637 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.962 -7.558 4.664 1.00 0.00 H new ATOM 1344 N HIS A 84 -9.459 -8.526 1.597 1.00 0.00 N ATOM 1345 CA HIS A 84 -10.874 -8.215 1.552 1.00 0.00 C ATOM 1346 C HIS A 84 -11.635 -9.495 1.236 1.00 0.00 C ATOM 1347 O HIS A 84 -11.028 -10.475 0.808 1.00 0.00 O ATOM 1348 CB HIS A 84 -11.150 -7.151 0.489 1.00 0.00 C ATOM 1349 CG HIS A 84 -12.454 -6.435 0.674 1.00 0.00 C ATOM 1350 ND1 HIS A 84 -13.561 -6.776 -0.063 1.00 0.00 N ATOM 1351 CD2 HIS A 84 -12.776 -5.411 1.510 1.00 0.00 C ATOM 1352 CE1 HIS A 84 -14.524 -5.963 0.334 1.00 0.00 C ATOM 1353 NE2 HIS A 84 -14.098 -5.119 1.282 1.00 0.00 N ATOM 0 H HIS A 84 -9.153 -9.199 0.894 1.00 0.00 H new ATOM 0 HA HIS A 84 -11.200 -7.818 2.513 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.341 -6.421 0.500 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -11.141 -7.622 -0.494 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -12.120 -4.923 2.215 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -15.530 -5.978 -0.058 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -14.650 -4.397 1.746 1.00 0.00 H new ATOM 1361 N VAL A 85 -12.943 -9.498 1.451 1.00 0.00 N ATOM 1362 CA VAL A 85 -13.748 -10.690 1.218 1.00 0.00 C ATOM 1363 C VAL A 85 -13.820 -11.018 -0.277 1.00 0.00 C ATOM 1364 O VAL A 85 -14.082 -12.158 -0.667 1.00 0.00 O ATOM 1365 CB VAL A 85 -15.177 -10.514 1.780 1.00 0.00 C ATOM 1366 CG1 VAL A 85 -15.957 -9.486 0.974 1.00 0.00 C ATOM 1367 CG2 VAL A 85 -15.915 -11.843 1.821 1.00 0.00 C ATOM 0 H VAL A 85 -13.469 -8.691 1.786 1.00 0.00 H new ATOM 0 HA VAL A 85 -13.265 -11.517 1.739 1.00 0.00 H new ATOM 0 HB VAL A 85 -15.090 -10.146 2.802 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -16.959 -9.381 1.390 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -15.444 -8.525 1.016 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -16.028 -9.814 -0.063 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -16.918 -11.690 2.220 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -15.984 -12.252 0.813 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -15.373 -12.541 2.459 1.00 0.00 H new ATOM 1377 N THR A 86 -13.594 -10.007 -1.106 1.00 0.00 N ATOM 1378 CA THR A 86 -13.695 -10.156 -2.543 1.00 0.00 C ATOM 1379 C THR A 86 -12.548 -10.976 -3.104 1.00 0.00 C ATOM 1380 O THR A 86 -12.751 -11.896 -3.900 1.00 0.00 O ATOM 1381 CB THR A 86 -13.686 -8.781 -3.211 1.00 0.00 C ATOM 1382 OG1 THR A 86 -12.571 -8.024 -2.725 1.00 0.00 O ATOM 1383 CG2 THR A 86 -14.963 -8.019 -2.929 1.00 0.00 C ATOM 0 H THR A 86 -13.338 -9.069 -0.799 1.00 0.00 H new ATOM 0 HA THR A 86 -14.630 -10.676 -2.752 1.00 0.00 H new ATOM 0 HB THR A 86 -13.606 -8.929 -4.288 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.836 -7.531 -1.921 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.922 -7.046 -3.419 1.00 0.00 H new ATOM 0 HG22 THR A 86 -15.815 -8.582 -3.311 1.00 0.00 H new ATOM 0 HG23 THR A 86 -15.073 -7.879 -1.854 1.00 0.00 H new ATOM 1391 N LEU A 87 -11.340 -10.634 -2.685 1.00 0.00 N ATOM 1392 CA LEU A 87 -10.158 -11.315 -3.155 1.00 0.00 C ATOM 1393 C LEU A 87 -10.097 -12.685 -2.501 1.00 0.00 C ATOM 1394 O LEU A 87 -9.889 -12.786 -1.292 1.00 0.00 O ATOM 1395 CB LEU A 87 -8.891 -10.509 -2.820 1.00 0.00 C ATOM 1396 CG LEU A 87 -8.794 -9.131 -3.485 1.00 0.00 C ATOM 1397 CD1 LEU A 87 -7.476 -8.445 -3.133 1.00 0.00 C ATOM 1398 CD2 LEU A 87 -8.941 -9.259 -4.994 1.00 0.00 C ATOM 0 H LEU A 87 -11.159 -9.885 -2.017 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.207 -11.420 -4.239 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.840 -10.377 -1.739 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.020 -11.096 -3.111 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.608 -8.513 -3.106 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.433 -7.470 -3.617 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.410 -8.317 -2.053 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.643 -9.058 -3.477 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.870 -8.272 -5.451 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.148 -9.898 -5.384 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.910 -9.699 -5.229 1.00 0.00 H new ATOM 1410 N SER A 88 -10.297 -13.732 -3.292 1.00 0.00 N ATOM 1411 CA SER A 88 -10.305 -15.094 -2.777 1.00 0.00 C ATOM 1412 C SER A 88 -8.943 -15.451 -2.183 1.00 0.00 C ATOM 1413 O SER A 88 -8.806 -16.413 -1.421 1.00 0.00 O ATOM 1414 CB SER A 88 -10.687 -16.060 -3.899 1.00 0.00 C ATOM 1415 OG SER A 88 -9.777 -15.973 -4.982 1.00 0.00 O ATOM 0 H SER A 88 -10.456 -13.662 -4.297 1.00 0.00 H new ATOM 0 HA SER A 88 -11.044 -15.174 -1.979 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.703 -17.080 -3.515 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.695 -15.835 -4.248 1.00 0.00 H new ATOM 0 HG SER A 88 -10.044 -16.602 -5.685 1.00 0.00 H new ATOM 1421 N GLN A 89 -7.944 -14.650 -2.532 1.00 0.00 N ATOM 1422 CA GLN A 89 -6.606 -14.749 -1.987 1.00 0.00 C ATOM 1423 C GLN A 89 -6.082 -13.316 -1.871 1.00 0.00 C ATOM 1424 O GLN A 89 -6.041 -12.618 -2.887 1.00 0.00 O ATOM 1425 CB GLN A 89 -5.697 -15.539 -2.937 1.00 0.00 C ATOM 1426 CG GLN A 89 -6.345 -16.783 -3.531 1.00 0.00 C ATOM 1427 CD GLN A 89 -5.720 -17.201 -4.843 1.00 0.00 C ATOM 1428 OE1 GLN A 89 -4.540 -16.960 -5.091 1.00 0.00 O ATOM 1429 NE2 GLN A 89 -6.507 -17.839 -5.693 1.00 0.00 N ATOM 0 H GLN A 89 -8.049 -13.900 -3.216 1.00 0.00 H new ATOM 0 HA GLN A 89 -6.618 -15.261 -1.025 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -5.382 -14.884 -3.749 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -4.796 -15.834 -2.398 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -6.265 -17.604 -2.818 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -7.408 -16.595 -3.684 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -7.481 -18.020 -5.449 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -6.140 -18.151 -6.592 1.00 0.00 H new ATOM 1438 N PRO A 90 -5.738 -12.822 -0.655 1.00 0.00 N ATOM 1439 CA PRO A 90 -5.221 -11.452 -0.477 1.00 0.00 C ATOM 1440 C PRO A 90 -4.196 -11.046 -1.520 1.00 0.00 C ATOM 1441 O PRO A 90 -3.338 -11.839 -1.922 1.00 0.00 O ATOM 1442 CB PRO A 90 -4.557 -11.530 0.876 1.00 0.00 C ATOM 1443 CG PRO A 90 -5.449 -12.431 1.639 1.00 0.00 C ATOM 1444 CD PRO A 90 -5.835 -13.521 0.654 1.00 0.00 C ATOM 0 HA PRO A 90 -6.015 -10.711 -0.569 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.545 -11.930 0.806 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.480 -10.549 1.344 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.941 -12.846 2.509 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.328 -11.900 2.006 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.160 -14.375 0.709 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -6.841 -13.898 0.839 1.00 0.00 H new ATOM 1452 N LYS A 91 -4.284 -9.800 -1.938 1.00 0.00 N ATOM 1453 CA LYS A 91 -3.468 -9.310 -3.019 1.00 0.00 C ATOM 1454 C LYS A 91 -2.170 -8.719 -2.512 1.00 0.00 C ATOM 1455 O LYS A 91 -2.166 -7.861 -1.631 1.00 0.00 O ATOM 1456 CB LYS A 91 -4.207 -8.256 -3.828 1.00 0.00 C ATOM 1457 CG LYS A 91 -3.459 -7.889 -5.087 1.00 0.00 C ATOM 1458 CD LYS A 91 -3.402 -9.068 -6.032 1.00 0.00 C ATOM 1459 CE LYS A 91 -4.722 -9.263 -6.761 1.00 0.00 C ATOM 1460 NZ LYS A 91 -5.108 -8.056 -7.538 1.00 0.00 N ATOM 0 H LYS A 91 -4.918 -9.108 -1.540 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.243 -10.166 -3.656 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.198 -8.627 -4.089 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.351 -7.364 -3.218 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.949 -7.047 -5.576 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.448 -7.568 -4.836 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.603 -8.915 -6.758 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.157 -9.971 -5.474 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.643 -10.118 -7.433 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.505 -9.496 -6.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.418 -8.340 -8.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.886 -7.565 -7.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.291 -7.417 -7.616 1.00 0.00 H new ATOM 1474 N ILE A 92 -1.079 -9.197 -3.072 1.00 0.00 N ATOM 1475 CA ILE A 92 0.237 -8.632 -2.812 1.00 0.00 C ATOM 1476 C ILE A 92 0.789 -8.043 -4.093 1.00 0.00 C ATOM 1477 O ILE A 92 0.779 -8.693 -5.140 1.00 0.00 O ATOM 1478 CB ILE A 92 1.268 -9.671 -2.295 1.00 0.00 C ATOM 1479 CG1 ILE A 92 0.893 -10.228 -0.915 1.00 0.00 C ATOM 1480 CG2 ILE A 92 2.665 -9.057 -2.244 1.00 0.00 C ATOM 1481 CD1 ILE A 92 -0.251 -11.217 -0.926 1.00 0.00 C ATOM 0 H ILE A 92 -1.074 -9.986 -3.719 1.00 0.00 H new ATOM 0 HA ILE A 92 0.097 -7.881 -2.035 1.00 0.00 H new ATOM 0 HB ILE A 92 1.260 -10.503 -2.999 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.769 -10.711 -0.482 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.631 -9.396 -0.261 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.375 -9.799 -1.879 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.958 -8.735 -3.243 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.661 -8.198 -1.573 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.447 -11.558 0.091 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.144 -10.736 -1.326 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.012 -12.071 -1.551 1.00 0.00 H new ATOM 1493 N VAL A 93 1.257 -6.818 -4.007 1.00 0.00 N ATOM 1494 CA VAL A 93 1.943 -6.179 -5.107 1.00 0.00 C ATOM 1495 C VAL A 93 3.262 -5.633 -4.598 1.00 0.00 C ATOM 1496 O VAL A 93 3.308 -4.936 -3.584 1.00 0.00 O ATOM 1497 CB VAL A 93 1.110 -5.045 -5.739 1.00 0.00 C ATOM 1498 CG1 VAL A 93 1.887 -4.357 -6.853 1.00 0.00 C ATOM 1499 CG2 VAL A 93 -0.209 -5.589 -6.271 1.00 0.00 C ATOM 0 H VAL A 93 1.173 -6.237 -3.173 1.00 0.00 H new ATOM 0 HA VAL A 93 2.107 -6.921 -5.888 1.00 0.00 H new ATOM 0 HB VAL A 93 0.898 -4.307 -4.965 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.279 -3.561 -7.283 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.806 -3.933 -6.448 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.134 -5.084 -7.627 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.785 -4.777 -6.714 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.011 -6.348 -7.028 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.776 -6.032 -5.453 1.00 0.00 H new ATOM 1509 N LYS A 94 4.322 -5.980 -5.290 1.00 0.00 N ATOM 1510 CA LYS A 94 5.652 -5.589 -4.879 1.00 0.00 C ATOM 1511 C LYS A 94 5.926 -4.162 -5.337 1.00 0.00 C ATOM 1512 O LYS A 94 5.394 -3.719 -6.358 1.00 0.00 O ATOM 1513 CB LYS A 94 6.694 -6.552 -5.457 1.00 0.00 C ATOM 1514 CG LYS A 94 7.282 -6.103 -6.781 1.00 0.00 C ATOM 1515 CD LYS A 94 8.427 -7.005 -7.204 1.00 0.00 C ATOM 1516 CE LYS A 94 9.501 -6.221 -7.936 1.00 0.00 C ATOM 1517 NZ LYS A 94 8.958 -5.530 -9.145 1.00 0.00 N ATOM 0 H LYS A 94 4.289 -6.535 -6.145 1.00 0.00 H new ATOM 0 HA LYS A 94 5.720 -5.632 -3.792 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.502 -6.673 -4.735 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.235 -7.532 -5.589 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.507 -6.110 -7.548 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.637 -5.076 -6.695 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.858 -7.486 -6.326 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.049 -7.799 -7.849 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.936 -5.484 -7.261 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.304 -6.895 -8.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.742 -5.119 -9.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.446 -6.216 -9.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.308 -4.774 -8.850 1.00 0.00 H new ATOM 1531 N TRP A 95 6.733 -3.442 -4.583 1.00 0.00 N ATOM 1532 CA TRP A 95 7.136 -2.104 -4.970 1.00 0.00 C ATOM 1533 C TRP A 95 8.424 -2.167 -5.781 1.00 0.00 C ATOM 1534 O TRP A 95 9.325 -2.952 -5.474 1.00 0.00 O ATOM 1535 CB TRP A 95 7.357 -1.214 -3.738 1.00 0.00 C ATOM 1536 CG TRP A 95 7.814 0.162 -4.108 1.00 0.00 C ATOM 1537 CD1 TRP A 95 7.043 1.186 -4.570 1.00 0.00 C ATOM 1538 CD2 TRP A 95 9.159 0.656 -4.071 1.00 0.00 C ATOM 1539 NE1 TRP A 95 7.822 2.285 -4.826 1.00 0.00 N ATOM 1540 CE2 TRP A 95 9.126 1.987 -4.524 1.00 0.00 C ATOM 1541 CE3 TRP A 95 10.385 0.099 -3.695 1.00 0.00 C ATOM 1542 CZ2 TRP A 95 10.272 2.766 -4.617 1.00 0.00 C ATOM 1543 CZ3 TRP A 95 11.524 0.874 -3.783 1.00 0.00 C ATOM 1544 CH2 TRP A 95 11.462 2.200 -4.242 1.00 0.00 C ATOM 0 H TRP A 95 7.124 -3.762 -3.697 1.00 0.00 H new ATOM 0 HA TRP A 95 6.337 -1.672 -5.573 1.00 0.00 H new ATOM 0 HB2 TRP A 95 6.429 -1.146 -3.170 1.00 0.00 H new ATOM 0 HB3 TRP A 95 8.097 -1.677 -3.085 1.00 0.00 H new ATOM 0 HD1 TRP A 95 5.974 1.139 -4.714 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.486 3.179 -5.183 1.00 0.00 H new ATOM 0 HE3 TRP A 95 10.440 -0.920 -3.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 10.227 3.785 -4.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 12.477 0.455 -3.495 1.00 0.00 H new ATOM 0 HH2 TRP A 95 12.369 2.784 -4.300 1.00 0.00 H new