USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 745 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 Single : A 6 SER OG : rot 180:sc=-0.000156 USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 8 HIS : no HD1:sc= -0.727 X(o=-0.73,f=-0.77) USER MOD Single : A 11 TYR OH : rot 180:sc= -0.319 USER MOD Single : A 14 GLN : amide:sc= -0.276 K(o=-0.28,f=-1.1) USER MOD Single : A 16 LYS NZ :NH3+ -117:sc= -9.92! (180deg=-10.4!) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 20 LYS NZ :NH3+ -164:sc= -0.0216 (180deg=-0.34) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0324 USER MOD Single : A 42 CYS SG : rot 14:sc= -1.1! USER MOD Single : A 47 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.56) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.306 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 81:sc= -0.557! USER MOD Single : A 64 GLN : amide:sc= -0.0194 K(o=-0.019,f=-1.6!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN :FLIP amide:sc= -1.7 F(o=-3.9,f=-1.7) USER MOD Single : A 69 THR OG1 : rot -80:sc= 0.747 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -25:sc= 0.503 USER MOD Single : A 82 TYR OH : rot 71:sc= 0.48 USER MOD Single : A 84 ASN :FLIP amide:sc= -0.0612 F(o=-0.6,f=-0.061) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0668) USER MOD ----------------------------------------------------------------- ATOM 82 N LEU A 5 115.614 9.746 4.493 1.00 0.00 N ATOM 83 CA LEU A 5 115.730 8.387 5.028 1.00 0.00 C ATOM 84 C LEU A 5 115.301 8.353 6.499 1.00 0.00 C ATOM 85 O LEU A 5 114.743 7.355 6.983 1.00 0.00 O ATOM 86 CB LEU A 5 117.180 7.899 4.904 1.00 0.00 C ATOM 87 CG LEU A 5 117.293 6.450 5.401 1.00 0.00 C ATOM 88 CD1 LEU A 5 116.440 5.530 4.522 1.00 0.00 C ATOM 89 CD2 LEU A 5 118.755 6.002 5.338 1.00 0.00 C ATOM 0 HA LEU A 5 115.076 7.731 4.454 1.00 0.00 H new ATOM 0 HB2 LEU A 5 117.506 7.962 3.866 1.00 0.00 H new ATOM 0 HB3 LEU A 5 117.840 8.544 5.485 1.00 0.00 H new ATOM 0 HG LEU A 5 116.937 6.395 6.430 1.00 0.00 H new ATOM 0 HD11 LEU A 5 116.525 4.504 4.880 1.00 0.00 H new ATOM 0 HD12 LEU A 5 115.398 5.846 4.569 1.00 0.00 H new ATOM 0 HD13 LEU A 5 116.790 5.585 3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 5 118.836 4.974 5.691 1.00 0.00 H new ATOM 0 HD22 LEU A 5 119.110 6.062 4.309 1.00 0.00 H new ATOM 0 HD23 LEU A 5 119.362 6.651 5.969 1.00 0.00 H new ATOM 101 N SER A 6 115.568 9.441 7.210 1.00 0.00 N ATOM 102 CA SER A 6 115.209 9.514 8.619 1.00 0.00 C ATOM 103 C SER A 6 113.722 9.227 8.796 1.00 0.00 C ATOM 104 O SER A 6 113.308 8.604 9.776 1.00 0.00 O ATOM 105 CB SER A 6 115.535 10.901 9.169 1.00 0.00 C ATOM 106 OG SER A 6 114.750 11.872 8.489 1.00 0.00 O ATOM 0 H SER A 6 116.026 10.274 6.840 1.00 0.00 H new ATOM 0 HA SER A 6 115.783 8.767 9.167 1.00 0.00 H new ATOM 0 HB2 SER A 6 115.332 10.937 10.239 1.00 0.00 H new ATOM 0 HB3 SER A 6 116.595 11.117 9.038 1.00 0.00 H new ATOM 0 HG SER A 6 114.955 12.763 8.841 1.00 0.00 H new ATOM 112 N GLN A 7 112.918 9.669 7.834 1.00 0.00 N ATOM 113 CA GLN A 7 111.482 9.438 7.900 1.00 0.00 C ATOM 114 C GLN A 7 111.193 7.950 8.025 1.00 0.00 C ATOM 115 O GLN A 7 110.294 7.547 8.764 1.00 0.00 O ATOM 116 CB GLN A 7 110.789 9.989 6.656 1.00 0.00 C ATOM 117 CG GLN A 7 110.814 11.517 6.697 1.00 0.00 C ATOM 118 CD GLN A 7 110.112 12.076 5.468 1.00 0.00 C ATOM 119 OE1 GLN A 7 109.531 11.321 4.689 1.00 0.00 O ATOM 120 NE2 GLN A 7 110.132 13.361 5.242 1.00 0.00 N ATOM 0 H GLN A 7 113.232 10.182 7.010 1.00 0.00 H new ATOM 0 HA GLN A 7 111.096 9.956 8.778 1.00 0.00 H new ATOM 0 HB2 GLN A 7 111.291 9.630 5.757 1.00 0.00 H new ATOM 0 HB3 GLN A 7 109.760 9.632 6.611 1.00 0.00 H new ATOM 0 HG2 GLN A 7 110.322 11.874 7.602 1.00 0.00 H new ATOM 0 HG3 GLN A 7 111.844 11.872 6.732 1.00 0.00 H new ATOM 0 HE21 GLN A 7 110.614 13.985 5.889 1.00 0.00 H new ATOM 0 HE22 GLN A 7 109.666 13.741 4.418 1.00 0.00 H new ATOM 129 N HIS A 8 111.957 7.129 7.306 1.00 0.00 N ATOM 130 CA HIS A 8 111.758 5.689 7.363 1.00 0.00 C ATOM 131 C HIS A 8 111.906 5.208 8.798 1.00 0.00 C ATOM 132 O HIS A 8 111.058 4.480 9.311 1.00 0.00 O ATOM 133 CB HIS A 8 112.793 4.990 6.479 1.00 0.00 C ATOM 134 CG HIS A 8 112.469 3.524 6.381 1.00 0.00 C ATOM 135 ND1 HIS A 8 112.868 2.608 7.341 1.00 0.00 N ATOM 136 CD2 HIS A 8 111.784 2.802 5.435 1.00 0.00 C ATOM 137 CE1 HIS A 8 112.424 1.398 6.956 1.00 0.00 C ATOM 138 NE2 HIS A 8 111.756 1.460 5.800 1.00 0.00 N ATOM 0 H HIS A 8 112.708 7.434 6.687 1.00 0.00 H new ATOM 0 HA HIS A 8 110.757 5.451 7.004 1.00 0.00 H new ATOM 0 HB2 HIS A 8 112.799 5.438 5.485 1.00 0.00 H new ATOM 0 HB3 HIS A 8 113.791 5.125 6.895 1.00 0.00 H new ATOM 0 HD2 HIS A 8 111.335 3.214 4.543 1.00 0.00 H new ATOM 0 HE1 HIS A 8 112.587 0.487 7.513 1.00 0.00 H new ATOM 0 HE2 HIS A 8 111.320 0.689 5.294 1.00 0.00 H new ATOM 147 N GLU A 9 112.989 5.624 9.447 1.00 0.00 N ATOM 148 CA GLU A 9 113.219 5.220 10.834 1.00 0.00 C ATOM 149 C GLU A 9 111.957 5.476 11.668 1.00 0.00 C ATOM 150 O GLU A 9 111.634 4.717 12.590 1.00 0.00 O ATOM 151 CB GLU A 9 114.392 6.005 11.426 1.00 0.00 C ATOM 152 CG GLU A 9 115.686 5.598 10.720 1.00 0.00 C ATOM 153 CD GLU A 9 116.857 6.412 11.261 1.00 0.00 C ATOM 154 OE1 GLU A 9 117.970 6.173 10.822 1.00 0.00 O ATOM 155 OE2 GLU A 9 116.625 7.256 12.111 1.00 0.00 O ATOM 0 H GLU A 9 113.708 6.227 9.048 1.00 0.00 H new ATOM 0 HA GLU A 9 113.456 4.156 10.854 1.00 0.00 H new ATOM 0 HB2 GLU A 9 114.223 7.075 11.309 1.00 0.00 H new ATOM 0 HB3 GLU A 9 114.472 5.809 12.495 1.00 0.00 H new ATOM 0 HG2 GLU A 9 115.872 4.535 10.870 1.00 0.00 H new ATOM 0 HG3 GLU A 9 115.589 5.756 9.646 1.00 0.00 H new ATOM 162 N ARG A 10 111.231 6.529 11.308 1.00 0.00 N ATOM 163 CA ARG A 10 109.991 6.851 12.013 1.00 0.00 C ATOM 164 C ARG A 10 108.881 5.901 11.587 1.00 0.00 C ATOM 165 O ARG A 10 108.184 5.344 12.421 1.00 0.00 O ATOM 166 CB ARG A 10 109.566 8.287 11.739 1.00 0.00 C ATOM 167 CG ARG A 10 110.769 9.201 11.969 1.00 0.00 C ATOM 168 CD ARG A 10 110.374 10.651 11.708 1.00 0.00 C ATOM 169 NE ARG A 10 111.529 11.523 11.879 1.00 0.00 N ATOM 170 CZ ARG A 10 111.447 12.820 11.603 1.00 0.00 C ATOM 171 NH1 ARG A 10 112.490 13.588 11.761 1.00 0.00 N ATOM 172 NH2 ARG A 10 110.324 13.327 11.176 1.00 0.00 N ATOM 0 H ARG A 10 111.471 7.165 10.547 1.00 0.00 H new ATOM 0 HA ARG A 10 110.173 6.739 13.082 1.00 0.00 H new ATOM 0 HB2 ARG A 10 109.205 8.386 10.715 1.00 0.00 H new ATOM 0 HB3 ARG A 10 108.744 8.571 12.396 1.00 0.00 H new ATOM 0 HG2 ARG A 10 111.130 9.091 12.992 1.00 0.00 H new ATOM 0 HG3 ARG A 10 111.587 8.913 11.309 1.00 0.00 H new ATOM 0 HD2 ARG A 10 109.979 10.752 10.697 1.00 0.00 H new ATOM 0 HD3 ARG A 10 109.579 10.948 12.392 1.00 0.00 H new ATOM 0 HE ARG A 10 112.410 11.133 12.214 1.00 0.00 H new ATOM 0 HH11 ARG A 10 113.368 13.193 12.096 1.00 0.00 H new ATOM 0 HH12 ARG A 10 112.427 14.584 11.549 1.00 0.00 H new ATOM 0 HH21 ARG A 10 109.508 12.728 11.054 1.00 0.00 H new ATOM 0 HH22 ARG A 10 110.262 14.323 10.964 1.00 0.00 H new ATOM 186 N TYR A 11 108.713 5.736 10.281 1.00 0.00 N ATOM 187 CA TYR A 11 107.668 4.861 9.764 1.00 0.00 C ATOM 188 C TYR A 11 107.761 3.486 10.415 1.00 0.00 C ATOM 189 O TYR A 11 106.751 2.886 10.763 1.00 0.00 O ATOM 190 CB TYR A 11 107.798 4.718 8.246 1.00 0.00 C ATOM 191 CG TYR A 11 106.706 3.814 7.721 1.00 0.00 C ATOM 192 CD1 TYR A 11 105.417 4.322 7.517 1.00 0.00 C ATOM 193 CD2 TYR A 11 106.984 2.473 7.433 1.00 0.00 C ATOM 194 CE1 TYR A 11 104.406 3.489 7.025 1.00 0.00 C ATOM 195 CE2 TYR A 11 105.972 1.640 6.940 1.00 0.00 C ATOM 196 CZ TYR A 11 104.684 2.147 6.735 1.00 0.00 C ATOM 197 OH TYR A 11 103.690 1.326 6.244 1.00 0.00 O ATOM 0 H TYR A 11 109.281 6.191 9.566 1.00 0.00 H new ATOM 0 HA TYR A 11 106.701 5.304 10.000 1.00 0.00 H new ATOM 0 HB2 TYR A 11 107.731 5.697 7.772 1.00 0.00 H new ATOM 0 HB3 TYR A 11 108.776 4.308 7.993 1.00 0.00 H new ATOM 0 HD1 TYR A 11 105.203 5.357 7.739 1.00 0.00 H new ATOM 0 HD2 TYR A 11 107.978 2.081 7.591 1.00 0.00 H new ATOM 0 HE1 TYR A 11 103.412 3.881 6.869 1.00 0.00 H new ATOM 0 HE2 TYR A 11 106.186 0.605 6.718 1.00 0.00 H new ATOM 0 HH TYR A 11 104.052 0.427 6.096 1.00 0.00 H new ATOM 207 N VAL A 12 108.978 2.991 10.587 1.00 0.00 N ATOM 208 CA VAL A 12 109.161 1.680 11.209 1.00 0.00 C ATOM 209 C VAL A 12 108.612 1.673 12.632 1.00 0.00 C ATOM 210 O VAL A 12 107.828 0.798 12.997 1.00 0.00 O ATOM 211 CB VAL A 12 110.649 1.331 11.235 1.00 0.00 C ATOM 212 CG1 VAL A 12 110.899 0.201 12.232 1.00 0.00 C ATOM 213 CG2 VAL A 12 111.082 0.870 9.847 1.00 0.00 C ATOM 0 H VAL A 12 109.840 3.463 10.312 1.00 0.00 H new ATOM 0 HA VAL A 12 108.616 0.940 10.623 1.00 0.00 H new ATOM 0 HB VAL A 12 111.218 2.212 11.532 1.00 0.00 H new ATOM 0 HG11 VAL A 12 111.961 -0.043 12.246 1.00 0.00 H new ATOM 0 HG12 VAL A 12 110.586 0.518 13.227 1.00 0.00 H new ATOM 0 HG13 VAL A 12 110.328 -0.679 11.935 1.00 0.00 H new ATOM 0 HG21 VAL A 12 112.143 0.620 9.861 1.00 0.00 H new ATOM 0 HG22 VAL A 12 110.506 -0.009 9.560 1.00 0.00 H new ATOM 0 HG23 VAL A 12 110.907 1.670 9.127 1.00 0.00 H new ATOM 223 N GLU A 13 109.029 2.646 13.429 1.00 0.00 N ATOM 224 CA GLU A 13 108.569 2.725 14.814 1.00 0.00 C ATOM 225 C GLU A 13 107.079 3.059 14.880 1.00 0.00 C ATOM 226 O GLU A 13 106.350 2.522 15.708 1.00 0.00 O ATOM 227 CB GLU A 13 109.367 3.785 15.570 1.00 0.00 C ATOM 228 CG GLU A 13 110.819 3.327 15.704 1.00 0.00 C ATOM 229 CD GLU A 13 111.652 4.421 16.361 1.00 0.00 C ATOM 230 OE1 GLU A 13 111.075 5.424 16.748 1.00 0.00 O ATOM 231 OE2 GLU A 13 112.855 4.245 16.459 1.00 0.00 O ATOM 0 H GLU A 13 109.676 3.384 13.149 1.00 0.00 H new ATOM 0 HA GLU A 13 108.725 1.751 15.278 1.00 0.00 H new ATOM 0 HB2 GLU A 13 109.322 4.737 15.040 1.00 0.00 H new ATOM 0 HB3 GLU A 13 108.933 3.948 16.556 1.00 0.00 H new ATOM 0 HG2 GLU A 13 110.868 2.415 16.299 1.00 0.00 H new ATOM 0 HG3 GLU A 13 111.226 3.089 14.721 1.00 0.00 H new ATOM 238 N GLN A 14 106.642 3.956 14.007 1.00 0.00 N ATOM 239 CA GLN A 14 105.245 4.376 13.969 1.00 0.00 C ATOM 240 C GLN A 14 104.361 3.236 13.462 1.00 0.00 C ATOM 241 O GLN A 14 103.589 2.655 14.219 1.00 0.00 O ATOM 242 CB GLN A 14 105.118 5.586 13.040 1.00 0.00 C ATOM 243 CG GLN A 14 103.719 6.200 13.150 1.00 0.00 C ATOM 244 CD GLN A 14 103.512 6.759 14.554 1.00 0.00 C ATOM 245 OE1 GLN A 14 104.439 7.331 15.129 1.00 0.00 O ATOM 246 NE2 GLN A 14 102.356 6.628 15.147 1.00 0.00 N ATOM 0 H GLN A 14 107.236 4.409 13.313 1.00 0.00 H new ATOM 0 HA GLN A 14 104.919 4.644 14.974 1.00 0.00 H new ATOM 0 HB2 GLN A 14 105.870 6.331 13.298 1.00 0.00 H new ATOM 0 HB3 GLN A 14 105.309 5.284 12.010 1.00 0.00 H new ATOM 0 HG2 GLN A 14 103.600 6.993 12.411 1.00 0.00 H new ATOM 0 HG3 GLN A 14 102.962 5.446 12.933 1.00 0.00 H new ATOM 0 HE21 GLN A 14 101.589 6.154 14.670 1.00 0.00 H new ATOM 0 HE22 GLN A 14 102.220 7.000 16.087 1.00 0.00 H new ATOM 255 N LEU A 15 104.469 2.950 12.172 1.00 0.00 N ATOM 256 CA LEU A 15 103.662 1.893 11.564 1.00 0.00 C ATOM 257 C LEU A 15 103.542 0.721 12.537 1.00 0.00 C ATOM 258 O LEU A 15 102.444 0.229 12.800 1.00 0.00 O ATOM 259 CB LEU A 15 104.314 1.420 10.255 1.00 0.00 C ATOM 260 CG LEU A 15 103.264 0.825 9.299 1.00 0.00 C ATOM 261 CD1 LEU A 15 102.516 -0.314 9.986 1.00 0.00 C ATOM 262 CD2 LEU A 15 102.264 1.912 8.875 1.00 0.00 C ATOM 0 H LEU A 15 105.100 3.428 11.529 1.00 0.00 H new ATOM 0 HA LEU A 15 102.669 2.283 11.342 1.00 0.00 H new ATOM 0 HB2 LEU A 15 104.818 2.257 9.772 1.00 0.00 H new ATOM 0 HB3 LEU A 15 105.077 0.673 10.474 1.00 0.00 H new ATOM 0 HG LEU A 15 103.774 0.439 8.416 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.776 -0.728 9.302 1.00 0.00 H new ATOM 0 HD12 LEU A 15 103.223 -1.093 10.271 1.00 0.00 H new ATOM 0 HD13 LEU A 15 102.015 0.065 10.877 1.00 0.00 H new ATOM 0 HD21 LEU A 15 101.525 1.483 8.199 1.00 0.00 H new ATOM 0 HD22 LEU A 15 101.762 2.308 9.757 1.00 0.00 H new ATOM 0 HD23 LEU A 15 102.795 2.717 8.368 1.00 0.00 H new ATOM 274 N LYS A 16 104.667 0.302 13.104 1.00 0.00 N ATOM 275 CA LYS A 16 104.646 -0.792 14.068 1.00 0.00 C ATOM 276 C LYS A 16 103.782 -0.428 15.276 1.00 0.00 C ATOM 277 O LYS A 16 103.011 -1.254 15.760 1.00 0.00 O ATOM 278 CB LYS A 16 106.068 -1.142 14.513 1.00 0.00 C ATOM 279 CG LYS A 16 106.769 -1.911 13.395 1.00 0.00 C ATOM 280 CD LYS A 16 108.170 -2.311 13.850 1.00 0.00 C ATOM 281 CE LYS A 16 108.817 -3.233 12.814 1.00 0.00 C ATOM 282 NZ LYS A 16 109.877 -4.037 13.481 1.00 0.00 N ATOM 0 H LYS A 16 105.590 0.694 12.918 1.00 0.00 H new ATOM 0 HA LYS A 16 104.210 -1.667 13.585 1.00 0.00 H new ATOM 0 HB2 LYS A 16 106.622 -0.233 14.749 1.00 0.00 H new ATOM 0 HB3 LYS A 16 106.040 -1.743 15.422 1.00 0.00 H new ATOM 0 HG2 LYS A 16 106.193 -2.799 13.134 1.00 0.00 H new ATOM 0 HG3 LYS A 16 106.829 -1.295 12.498 1.00 0.00 H new ATOM 0 HD2 LYS A 16 108.783 -1.421 13.989 1.00 0.00 H new ATOM 0 HD3 LYS A 16 108.117 -2.816 14.815 1.00 0.00 H new ATOM 0 HE2 LYS A 16 108.067 -3.890 12.373 1.00 0.00 H new ATOM 0 HE3 LYS A 16 109.244 -2.646 12.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 110.802 -3.806 13.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 109.890 -3.818 14.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 109.681 -5.049 13.347 1.00 0.00 H new ATOM 296 N GLN A 17 103.902 0.810 15.747 1.00 0.00 N ATOM 297 CA GLN A 17 103.098 1.253 16.889 1.00 0.00 C ATOM 298 C GLN A 17 101.611 1.200 16.530 1.00 0.00 C ATOM 299 O GLN A 17 100.822 0.510 17.189 1.00 0.00 O ATOM 300 CB GLN A 17 103.496 2.672 17.301 1.00 0.00 C ATOM 301 CG GLN A 17 104.713 2.614 18.226 1.00 0.00 C ATOM 302 CD GLN A 17 105.262 4.019 18.451 1.00 0.00 C ATOM 303 OE1 GLN A 17 104.709 4.993 17.940 1.00 0.00 O ATOM 304 NE2 GLN A 17 106.324 4.184 19.192 1.00 0.00 N ATOM 0 H GLN A 17 104.534 1.514 15.367 1.00 0.00 H new ATOM 0 HA GLN A 17 103.282 0.586 17.731 1.00 0.00 H new ATOM 0 HB2 GLN A 17 103.726 3.267 16.417 1.00 0.00 H new ATOM 0 HB3 GLN A 17 102.664 3.162 17.808 1.00 0.00 H new ATOM 0 HG2 GLN A 17 104.435 2.166 19.180 1.00 0.00 H new ATOM 0 HG3 GLN A 17 105.483 1.979 17.788 1.00 0.00 H new ATOM 0 HE21 GLN A 17 106.781 3.376 19.615 1.00 0.00 H new ATOM 0 HE22 GLN A 17 106.696 5.121 19.348 1.00 0.00 H new ATOM 313 N ALA A 18 101.235 1.919 15.473 1.00 0.00 N ATOM 314 CA ALA A 18 99.848 1.939 15.014 1.00 0.00 C ATOM 315 C ALA A 18 99.352 0.511 14.800 1.00 0.00 C ATOM 316 O ALA A 18 98.152 0.263 14.713 1.00 0.00 O ATOM 317 CB ALA A 18 99.734 2.731 13.712 1.00 0.00 C ATOM 0 H ALA A 18 101.870 2.494 14.920 1.00 0.00 H new ATOM 0 HA ALA A 18 99.232 2.421 15.773 1.00 0.00 H new ATOM 0 HB1 ALA A 18 98.696 2.738 13.380 1.00 0.00 H new ATOM 0 HB2 ALA A 18 100.069 3.755 13.878 1.00 0.00 H new ATOM 0 HB3 ALA A 18 100.356 2.265 12.947 1.00 0.00 H new ATOM 323 N LEU A 19 100.300 -0.416 14.723 1.00 0.00 N ATOM 324 CA LEU A 19 99.960 -1.827 14.557 1.00 0.00 C ATOM 325 C LEU A 19 99.744 -2.491 15.918 1.00 0.00 C ATOM 326 O LEU A 19 98.748 -3.178 16.134 1.00 0.00 O ATOM 327 CB LEU A 19 101.039 -2.564 13.776 1.00 0.00 C ATOM 328 CG LEU A 19 100.520 -2.866 12.370 1.00 0.00 C ATOM 329 CD1 LEU A 19 101.650 -3.431 11.513 1.00 0.00 C ATOM 330 CD2 LEU A 19 99.386 -3.896 12.445 1.00 0.00 C ATOM 0 H LEU A 19 101.300 -0.221 14.772 1.00 0.00 H new ATOM 0 HA LEU A 19 99.032 -1.882 13.988 1.00 0.00 H new ATOM 0 HB2 LEU A 19 101.944 -1.958 13.721 1.00 0.00 H new ATOM 0 HB3 LEU A 19 101.306 -3.490 14.285 1.00 0.00 H new ATOM 0 HG LEU A 19 100.148 -1.943 11.925 1.00 0.00 H new ATOM 0 HD11 LEU A 19 101.275 -3.645 10.512 1.00 0.00 H new ATOM 0 HD12 LEU A 19 102.458 -2.702 11.450 1.00 0.00 H new ATOM 0 HD13 LEU A 19 102.024 -4.350 11.964 1.00 0.00 H new ATOM 0 HD21 LEU A 19 99.020 -4.108 11.440 1.00 0.00 H new ATOM 0 HD22 LEU A 19 99.759 -4.815 12.897 1.00 0.00 H new ATOM 0 HD23 LEU A 19 98.572 -3.498 13.051 1.00 0.00 H new ATOM 342 N LYS A 20 100.707 -2.308 16.821 1.00 0.00 N ATOM 343 CA LYS A 20 100.632 -2.919 18.143 1.00 0.00 C ATOM 344 C LYS A 20 99.217 -2.823 18.695 1.00 0.00 C ATOM 345 O LYS A 20 98.704 -3.772 19.289 1.00 0.00 O ATOM 346 CB LYS A 20 101.602 -2.221 19.096 1.00 0.00 C ATOM 347 CG LYS A 20 101.590 -2.926 20.454 1.00 0.00 C ATOM 348 CD LYS A 20 102.605 -2.257 21.382 1.00 0.00 C ATOM 349 CE LYS A 20 102.620 -2.978 22.730 1.00 0.00 C ATOM 350 NZ LYS A 20 101.319 -2.762 23.426 1.00 0.00 N ATOM 0 H LYS A 20 101.542 -1.745 16.661 1.00 0.00 H new ATOM 0 HA LYS A 20 100.905 -3.970 18.054 1.00 0.00 H new ATOM 0 HB2 LYS A 20 102.609 -2.233 18.678 1.00 0.00 H new ATOM 0 HB3 LYS A 20 101.319 -1.175 19.216 1.00 0.00 H new ATOM 0 HG2 LYS A 20 100.593 -2.878 20.892 1.00 0.00 H new ATOM 0 HG3 LYS A 20 101.834 -3.981 20.331 1.00 0.00 H new ATOM 0 HD2 LYS A 20 103.598 -2.285 20.932 1.00 0.00 H new ATOM 0 HD3 LYS A 20 102.348 -1.207 21.522 1.00 0.00 H new ATOM 0 HE2 LYS A 20 102.792 -4.044 22.582 1.00 0.00 H new ATOM 0 HE3 LYS A 20 103.439 -2.605 23.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 101.418 -3.010 24.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 101.042 -1.763 23.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 100.589 -3.362 22.992 1.00 0.00 H new ATOM 364 N THR A 21 98.591 -1.675 18.494 1.00 0.00 N ATOM 365 CA THR A 21 97.226 -1.465 18.972 1.00 0.00 C ATOM 366 C THR A 21 96.269 -2.465 18.322 1.00 0.00 C ATOM 367 O THR A 21 95.295 -2.894 18.940 1.00 0.00 O ATOM 368 CB THR A 21 96.768 -0.038 18.653 1.00 0.00 C ATOM 369 OG1 THR A 21 95.371 -0.036 18.398 1.00 0.00 O ATOM 370 CG2 THR A 21 97.510 0.473 17.421 1.00 0.00 C ATOM 0 H THR A 21 98.999 -0.877 18.007 1.00 0.00 H new ATOM 0 HA THR A 21 97.216 -1.615 20.052 1.00 0.00 H new ATOM 0 HB THR A 21 96.985 0.611 19.502 1.00 0.00 H new ATOM 0 HG1 THR A 21 95.077 0.877 18.195 1.00 0.00 H new ATOM 0 HG21 THR A 21 97.184 1.488 17.195 1.00 0.00 H new ATOM 0 HG22 THR A 21 98.582 0.472 17.616 1.00 0.00 H new ATOM 0 HG23 THR A 21 97.294 -0.175 16.572 1.00 0.00 H new ATOM 378 N ARG A 22 96.553 -2.835 17.076 1.00 0.00 N ATOM 379 CA ARG A 22 95.707 -3.788 16.360 1.00 0.00 C ATOM 380 C ARG A 22 95.800 -5.171 17.001 1.00 0.00 C ATOM 381 O ARG A 22 95.065 -6.086 16.629 1.00 0.00 O ATOM 382 CB ARG A 22 96.123 -3.876 14.882 1.00 0.00 C ATOM 383 CG ARG A 22 96.039 -2.495 14.210 1.00 0.00 C ATOM 384 CD ARG A 22 94.586 -2.014 14.175 1.00 0.00 C ATOM 385 NE ARG A 22 94.438 -0.970 13.169 1.00 0.00 N ATOM 386 CZ ARG A 22 94.570 0.319 13.467 1.00 0.00 C ATOM 387 NH1 ARG A 22 94.416 1.222 12.537 1.00 0.00 N ATOM 388 NH2 ARG A 22 94.852 0.680 14.688 1.00 0.00 N ATOM 0 H ARG A 22 97.354 -2.494 16.545 1.00 0.00 H new ATOM 0 HA ARG A 22 94.677 -3.436 16.418 1.00 0.00 H new ATOM 0 HB2 ARG A 22 97.140 -4.261 14.808 1.00 0.00 H new ATOM 0 HB3 ARG A 22 95.477 -4.581 14.359 1.00 0.00 H new ATOM 0 HG2 ARG A 22 96.654 -1.779 14.755 1.00 0.00 H new ATOM 0 HG3 ARG A 22 96.436 -2.550 13.197 1.00 0.00 H new ATOM 0 HD2 ARG A 22 93.922 -2.848 13.948 1.00 0.00 H new ATOM 0 HD3 ARG A 22 94.295 -1.633 15.154 1.00 0.00 H new ATOM 0 HE ARG A 22 94.227 -1.236 12.207 1.00 0.00 H new ATOM 0 HH11 ARG A 22 94.195 0.938 11.583 1.00 0.00 H new ATOM 0 HH12 ARG A 22 94.517 2.211 12.765 1.00 0.00 H new ATOM 0 HH21 ARG A 22 94.971 -0.026 15.414 1.00 0.00 H new ATOM 0 HH22 ARG A 22 94.953 1.669 14.917 1.00 0.00 H new ATOM 402 N GLY A 23 96.702 -5.315 17.969 1.00 0.00 N ATOM 403 CA GLY A 23 96.874 -6.598 18.660 1.00 0.00 C ATOM 404 C GLY A 23 98.142 -7.310 18.198 1.00 0.00 C ATOM 405 O GLY A 23 98.259 -8.529 18.318 1.00 0.00 O ATOM 0 H GLY A 23 97.320 -4.571 18.293 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.920 -6.431 19.736 1.00 0.00 H new ATOM 0 HA3 GLY A 23 96.008 -7.234 18.473 1.00 0.00 H new ATOM 409 N VAL A 24 99.086 -6.540 17.665 1.00 0.00 N ATOM 410 CA VAL A 24 100.344 -7.100 17.179 1.00 0.00 C ATOM 411 C VAL A 24 101.484 -6.777 18.139 1.00 0.00 C ATOM 412 O VAL A 24 101.320 -5.979 19.061 1.00 0.00 O ATOM 413 CB VAL A 24 100.680 -6.526 15.804 1.00 0.00 C ATOM 414 CG1 VAL A 24 101.859 -7.286 15.187 1.00 0.00 C ATOM 415 CG2 VAL A 24 99.459 -6.650 14.890 1.00 0.00 C ATOM 0 H VAL A 24 99.005 -5.529 17.559 1.00 0.00 H new ATOM 0 HA VAL A 24 100.226 -8.181 17.110 1.00 0.00 H new ATOM 0 HB VAL A 24 100.954 -5.477 15.914 1.00 0.00 H new ATOM 0 HG11 VAL A 24 102.089 -6.868 14.207 1.00 0.00 H new ATOM 0 HG12 VAL A 24 102.731 -7.193 15.835 1.00 0.00 H new ATOM 0 HG13 VAL A 24 101.597 -8.339 15.080 1.00 0.00 H new ATOM 0 HG21 VAL A 24 99.697 -6.241 13.908 1.00 0.00 H new ATOM 0 HG22 VAL A 24 99.185 -7.700 14.789 1.00 0.00 H new ATOM 0 HG23 VAL A 24 98.624 -6.097 15.321 1.00 0.00 H new ATOM 425 N LYS A 25 102.639 -7.402 17.914 1.00 0.00 N ATOM 426 CA LYS A 25 103.801 -7.163 18.759 1.00 0.00 C ATOM 427 C LYS A 25 104.900 -6.447 17.973 1.00 0.00 C ATOM 428 O LYS A 25 105.007 -6.603 16.757 1.00 0.00 O ATOM 429 CB LYS A 25 104.339 -8.484 19.309 1.00 0.00 C ATOM 430 CG LYS A 25 103.340 -9.071 20.307 1.00 0.00 C ATOM 431 CD LYS A 25 103.894 -10.382 20.869 1.00 0.00 C ATOM 432 CE LYS A 25 102.905 -10.963 21.882 1.00 0.00 C ATOM 433 NZ LYS A 25 103.458 -12.227 22.446 1.00 0.00 N ATOM 0 H LYS A 25 102.792 -8.071 17.160 1.00 0.00 H new ATOM 0 HA LYS A 25 103.492 -6.529 19.590 1.00 0.00 H new ATOM 0 HB2 LYS A 25 104.508 -9.187 18.493 1.00 0.00 H new ATOM 0 HB3 LYS A 25 105.301 -8.322 19.795 1.00 0.00 H new ATOM 0 HG2 LYS A 25 103.159 -8.363 21.116 1.00 0.00 H new ATOM 0 HG3 LYS A 25 102.382 -9.248 19.818 1.00 0.00 H new ATOM 0 HD2 LYS A 25 104.063 -11.094 20.061 1.00 0.00 H new ATOM 0 HD3 LYS A 25 104.858 -10.207 21.346 1.00 0.00 H new ATOM 0 HE2 LYS A 25 102.722 -10.245 22.681 1.00 0.00 H new ATOM 0 HE3 LYS A 25 101.946 -11.156 21.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 102.787 -12.623 23.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 103.611 -12.912 21.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 104.363 -12.029 22.919 1.00 0.00 H new ATOM 447 N VAL A 26 105.710 -5.658 18.681 1.00 0.00 N ATOM 448 CA VAL A 26 106.797 -4.915 18.046 1.00 0.00 C ATOM 449 C VAL A 26 108.122 -5.177 18.769 1.00 0.00 C ATOM 450 O VAL A 26 108.504 -4.448 19.683 1.00 0.00 O ATOM 451 CB VAL A 26 106.469 -3.418 18.062 1.00 0.00 C ATOM 452 CG1 VAL A 26 105.098 -3.195 17.424 1.00 0.00 C ATOM 453 CG2 VAL A 26 106.429 -2.915 19.510 1.00 0.00 C ATOM 0 H VAL A 26 105.634 -5.518 19.688 1.00 0.00 H new ATOM 0 HA VAL A 26 106.901 -5.250 17.014 1.00 0.00 H new ATOM 0 HB VAL A 26 107.233 -2.876 17.505 1.00 0.00 H new ATOM 0 HG11 VAL A 26 104.861 -2.131 17.433 1.00 0.00 H new ATOM 0 HG12 VAL A 26 105.113 -3.554 16.395 1.00 0.00 H new ATOM 0 HG13 VAL A 26 104.341 -3.740 17.988 1.00 0.00 H new ATOM 0 HG21 VAL A 26 106.196 -1.850 19.519 1.00 0.00 H new ATOM 0 HG22 VAL A 26 105.663 -3.459 20.063 1.00 0.00 H new ATOM 0 HG23 VAL A 26 107.400 -3.078 19.979 1.00 0.00 H new ATOM 463 N LYS A 27 108.818 -6.228 18.345 1.00 0.00 N ATOM 464 CA LYS A 27 110.102 -6.589 18.952 1.00 0.00 C ATOM 465 C LYS A 27 111.248 -6.313 17.981 1.00 0.00 C ATOM 466 O LYS A 27 111.032 -6.146 16.791 1.00 0.00 O ATOM 467 CB LYS A 27 110.111 -8.071 19.344 1.00 0.00 C ATOM 468 CG LYS A 27 111.086 -8.289 20.504 1.00 0.00 C ATOM 469 CD LYS A 27 111.644 -9.708 20.438 1.00 0.00 C ATOM 470 CE LYS A 27 110.494 -10.708 20.534 1.00 0.00 C ATOM 471 NZ LYS A 27 111.047 -12.080 20.701 1.00 0.00 N ATOM 0 H LYS A 27 108.520 -6.843 17.588 1.00 0.00 H new ATOM 0 HA LYS A 27 110.237 -5.981 19.847 1.00 0.00 H new ATOM 0 HB2 LYS A 27 109.109 -8.387 19.634 1.00 0.00 H new ATOM 0 HB3 LYS A 27 110.404 -8.682 18.490 1.00 0.00 H new ATOM 0 HG2 LYS A 27 111.898 -7.564 20.452 1.00 0.00 H new ATOM 0 HG3 LYS A 27 110.578 -8.130 21.455 1.00 0.00 H new ATOM 0 HD2 LYS A 27 112.190 -9.853 19.506 1.00 0.00 H new ATOM 0 HD3 LYS A 27 112.352 -9.871 21.251 1.00 0.00 H new ATOM 0 HE2 LYS A 27 109.849 -10.458 21.377 1.00 0.00 H new ATOM 0 HE3 LYS A 27 109.878 -10.659 19.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 110.266 -12.764 20.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 111.645 -12.315 19.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 111.617 -12.121 21.570 1.00 0.00 H new ATOM 485 N TYR A 28 112.469 -6.271 18.492 1.00 0.00 N ATOM 486 CA TYR A 28 113.628 -6.023 17.645 1.00 0.00 C ATOM 487 C TYR A 28 113.710 -7.077 16.538 1.00 0.00 C ATOM 488 O TYR A 28 114.094 -6.779 15.402 1.00 0.00 O ATOM 489 CB TYR A 28 114.898 -6.058 18.493 1.00 0.00 C ATOM 490 CG TYR A 28 114.842 -4.950 19.517 1.00 0.00 C ATOM 491 CD1 TYR A 28 115.395 -3.698 19.224 1.00 0.00 C ATOM 492 CD2 TYR A 28 114.235 -5.174 20.759 1.00 0.00 C ATOM 493 CE1 TYR A 28 115.342 -2.670 20.173 1.00 0.00 C ATOM 494 CE2 TYR A 28 114.183 -4.146 21.707 1.00 0.00 C ATOM 495 CZ TYR A 28 114.736 -2.895 21.415 1.00 0.00 C ATOM 496 OH TYR A 28 114.682 -1.882 22.350 1.00 0.00 O ATOM 0 H TYR A 28 112.683 -6.404 19.480 1.00 0.00 H new ATOM 0 HA TYR A 28 113.528 -5.040 17.184 1.00 0.00 H new ATOM 0 HB2 TYR A 28 114.992 -7.024 18.989 1.00 0.00 H new ATOM 0 HB3 TYR A 28 115.776 -5.939 17.859 1.00 0.00 H new ATOM 0 HD1 TYR A 28 115.863 -3.525 18.266 1.00 0.00 H new ATOM 0 HD2 TYR A 28 113.807 -6.140 20.985 1.00 0.00 H new ATOM 0 HE1 TYR A 28 115.768 -1.704 19.947 1.00 0.00 H new ATOM 0 HE2 TYR A 28 113.715 -4.319 22.665 1.00 0.00 H new ATOM 0 HH TYR A 28 114.227 -2.205 23.156 1.00 0.00 H new ATOM 506 N ALA A 29 113.334 -8.306 16.877 1.00 0.00 N ATOM 507 CA ALA A 29 113.351 -9.403 15.916 1.00 0.00 C ATOM 508 C ALA A 29 112.451 -9.090 14.721 1.00 0.00 C ATOM 509 O ALA A 29 112.630 -9.641 13.636 1.00 0.00 O ATOM 510 CB ALA A 29 112.886 -10.703 16.582 1.00 0.00 C ATOM 0 H ALA A 29 113.014 -8.567 17.810 1.00 0.00 H new ATOM 0 HA ALA A 29 114.375 -9.526 15.563 1.00 0.00 H new ATOM 0 HB1 ALA A 29 112.904 -11.512 15.852 1.00 0.00 H new ATOM 0 HB2 ALA A 29 113.552 -10.946 17.410 1.00 0.00 H new ATOM 0 HB3 ALA A 29 111.871 -10.576 16.958 1.00 0.00 H new ATOM 516 N ASP A 30 111.482 -8.201 14.929 1.00 0.00 N ATOM 517 CA ASP A 30 110.560 -7.825 13.857 1.00 0.00 C ATOM 518 C ASP A 30 111.267 -6.986 12.809 1.00 0.00 C ATOM 519 O ASP A 30 111.094 -7.204 11.615 1.00 0.00 O ATOM 520 CB ASP A 30 109.367 -7.042 14.414 1.00 0.00 C ATOM 521 CG ASP A 30 108.512 -7.953 15.289 1.00 0.00 C ATOM 522 OD1 ASP A 30 107.623 -7.445 15.951 1.00 0.00 O ATOM 523 OD2 ASP A 30 108.772 -9.145 15.295 1.00 0.00 O ATOM 0 H ASP A 30 111.315 -7.732 15.819 1.00 0.00 H new ATOM 0 HA ASP A 30 110.199 -8.744 13.395 1.00 0.00 H new ATOM 0 HB2 ASP A 30 109.719 -6.190 14.996 1.00 0.00 H new ATOM 0 HB3 ASP A 30 108.768 -6.643 13.595 1.00 0.00 H new ATOM 528 N LEU A 31 112.065 -6.030 13.260 1.00 0.00 N ATOM 529 CA LEU A 31 112.781 -5.156 12.333 1.00 0.00 C ATOM 530 C LEU A 31 113.710 -5.971 11.452 1.00 0.00 C ATOM 531 O LEU A 31 113.826 -5.722 10.265 1.00 0.00 O ATOM 532 CB LEU A 31 113.609 -4.124 13.112 1.00 0.00 C ATOM 533 CG LEU A 31 112.713 -2.993 13.628 1.00 0.00 C ATOM 534 CD1 LEU A 31 112.210 -3.354 15.025 1.00 0.00 C ATOM 535 CD2 LEU A 31 113.523 -1.698 13.709 1.00 0.00 C ATOM 0 H LEU A 31 112.234 -5.838 14.247 1.00 0.00 H new ATOM 0 HA LEU A 31 112.048 -4.643 11.711 1.00 0.00 H new ATOM 0 HB2 LEU A 31 114.110 -4.609 13.950 1.00 0.00 H new ATOM 0 HB3 LEU A 31 114.388 -3.714 12.469 1.00 0.00 H new ATOM 0 HG LEU A 31 111.870 -2.856 12.951 1.00 0.00 H new ATOM 0 HD11 LEU A 31 111.571 -2.554 15.400 1.00 0.00 H new ATOM 0 HD12 LEU A 31 111.640 -4.282 14.978 1.00 0.00 H new ATOM 0 HD13 LEU A 31 113.060 -3.484 15.695 1.00 0.00 H new ATOM 0 HD21 LEU A 31 112.886 -0.893 14.076 1.00 0.00 H new ATOM 0 HD22 LEU A 31 114.363 -1.836 14.390 1.00 0.00 H new ATOM 0 HD23 LEU A 31 113.898 -1.441 12.718 1.00 0.00 H new ATOM 547 N LEU A 32 114.383 -6.942 12.027 1.00 0.00 N ATOM 548 CA LEU A 32 115.306 -7.746 11.238 1.00 0.00 C ATOM 549 C LEU A 32 114.620 -8.313 9.998 1.00 0.00 C ATOM 550 O LEU A 32 115.107 -8.144 8.879 1.00 0.00 O ATOM 551 CB LEU A 32 115.822 -8.898 12.089 1.00 0.00 C ATOM 552 CG LEU A 32 116.377 -8.348 13.407 1.00 0.00 C ATOM 553 CD1 LEU A 32 116.883 -9.507 14.267 1.00 0.00 C ATOM 554 CD2 LEU A 32 117.540 -7.393 13.114 1.00 0.00 C ATOM 0 H LEU A 32 114.317 -7.195 13.013 1.00 0.00 H new ATOM 0 HA LEU A 32 116.130 -7.108 10.919 1.00 0.00 H new ATOM 0 HB2 LEU A 32 115.018 -9.607 12.288 1.00 0.00 H new ATOM 0 HB3 LEU A 32 116.600 -9.441 11.552 1.00 0.00 H new ATOM 0 HG LEU A 32 115.589 -7.813 13.937 1.00 0.00 H new ATOM 0 HD11 LEU A 32 117.278 -9.118 15.205 1.00 0.00 H new ATOM 0 HD12 LEU A 32 116.061 -10.191 14.476 1.00 0.00 H new ATOM 0 HD13 LEU A 32 117.671 -10.039 13.734 1.00 0.00 H new ATOM 0 HD21 LEU A 32 117.935 -7.002 14.052 1.00 0.00 H new ATOM 0 HD22 LEU A 32 118.327 -7.930 12.585 1.00 0.00 H new ATOM 0 HD23 LEU A 32 117.186 -6.567 12.497 1.00 0.00 H new ATOM 566 N LYS A 33 113.506 -8.996 10.206 1.00 0.00 N ATOM 567 CA LYS A 33 112.777 -9.603 9.099 1.00 0.00 C ATOM 568 C LYS A 33 112.074 -8.570 8.236 1.00 0.00 C ATOM 569 O LYS A 33 112.221 -8.572 7.026 1.00 0.00 O ATOM 570 CB LYS A 33 111.741 -10.598 9.633 1.00 0.00 C ATOM 571 CG LYS A 33 111.060 -11.315 8.461 1.00 0.00 C ATOM 572 CD LYS A 33 110.090 -12.368 9.000 1.00 0.00 C ATOM 573 CE LYS A 33 109.422 -13.094 7.831 1.00 0.00 C ATOM 574 NZ LYS A 33 108.522 -14.156 8.360 1.00 0.00 N ATOM 0 H LYS A 33 113.087 -9.145 11.124 1.00 0.00 H new ATOM 0 HA LYS A 33 113.511 -10.117 8.479 1.00 0.00 H new ATOM 0 HB2 LYS A 33 112.224 -11.325 10.286 1.00 0.00 H new ATOM 0 HB3 LYS A 33 110.997 -10.075 10.234 1.00 0.00 H new ATOM 0 HG2 LYS A 33 110.524 -10.595 7.842 1.00 0.00 H new ATOM 0 HG3 LYS A 33 111.809 -11.787 7.825 1.00 0.00 H new ATOM 0 HD2 LYS A 33 110.624 -13.082 9.628 1.00 0.00 H new ATOM 0 HD3 LYS A 33 109.335 -11.895 9.627 1.00 0.00 H new ATOM 0 HE2 LYS A 33 108.853 -12.387 7.226 1.00 0.00 H new ATOM 0 HE3 LYS A 33 110.179 -13.533 7.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 108.066 -14.651 7.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 109.077 -14.835 8.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 107.793 -13.725 8.963 1.00 0.00 H new ATOM 588 N PHE A 34 111.290 -7.707 8.856 1.00 0.00 N ATOM 589 CA PHE A 34 110.542 -6.697 8.107 1.00 0.00 C ATOM 590 C PHE A 34 111.453 -5.742 7.349 1.00 0.00 C ATOM 591 O PHE A 34 111.156 -5.350 6.214 1.00 0.00 O ATOM 592 CB PHE A 34 109.658 -5.880 9.056 1.00 0.00 C ATOM 593 CG PHE A 34 108.201 -6.125 8.748 1.00 0.00 C ATOM 594 CD1 PHE A 34 107.684 -5.734 7.507 1.00 0.00 C ATOM 595 CD2 PHE A 34 107.363 -6.719 9.700 1.00 0.00 C ATOM 596 CE1 PHE A 34 106.329 -5.938 7.217 1.00 0.00 C ATOM 597 CE2 PHE A 34 106.009 -6.922 9.410 1.00 0.00 C ATOM 598 CZ PHE A 34 105.492 -6.532 8.169 1.00 0.00 C ATOM 0 H PHE A 34 111.151 -7.679 9.866 1.00 0.00 H new ATOM 0 HA PHE A 34 109.932 -7.235 7.382 1.00 0.00 H new ATOM 0 HB2 PHE A 34 109.870 -6.154 10.089 1.00 0.00 H new ATOM 0 HB3 PHE A 34 109.886 -4.819 8.954 1.00 0.00 H new ATOM 0 HD1 PHE A 34 108.330 -5.275 6.773 1.00 0.00 H new ATOM 0 HD2 PHE A 34 107.761 -7.020 10.658 1.00 0.00 H new ATOM 0 HE1 PHE A 34 105.930 -5.637 6.259 1.00 0.00 H new ATOM 0 HE2 PHE A 34 105.363 -7.380 10.144 1.00 0.00 H new ATOM 0 HZ PHE A 34 104.447 -6.689 7.946 1.00 0.00 H new ATOM 608 N PHE A 35 112.566 -5.393 7.965 1.00 0.00 N ATOM 609 CA PHE A 35 113.524 -4.492 7.342 1.00 0.00 C ATOM 610 C PHE A 35 114.263 -5.182 6.188 1.00 0.00 C ATOM 611 O PHE A 35 114.379 -4.624 5.099 1.00 0.00 O ATOM 612 CB PHE A 35 114.525 -4.009 8.393 1.00 0.00 C ATOM 613 CG PHE A 35 115.202 -2.754 7.908 1.00 0.00 C ATOM 614 CD1 PHE A 35 116.164 -2.812 6.892 1.00 0.00 C ATOM 615 CD2 PHE A 35 114.852 -1.521 8.471 1.00 0.00 C ATOM 616 CE1 PHE A 35 116.775 -1.636 6.439 1.00 0.00 C ATOM 617 CE2 PHE A 35 115.463 -0.346 8.018 1.00 0.00 C ATOM 618 CZ PHE A 35 116.424 -0.403 7.002 1.00 0.00 C ATOM 0 H PHE A 35 112.831 -5.718 8.895 1.00 0.00 H new ATOM 0 HA PHE A 35 112.983 -3.639 6.931 1.00 0.00 H new ATOM 0 HB2 PHE A 35 114.013 -3.817 9.336 1.00 0.00 H new ATOM 0 HB3 PHE A 35 115.267 -4.783 8.585 1.00 0.00 H new ATOM 0 HD1 PHE A 35 116.435 -3.763 6.458 1.00 0.00 H new ATOM 0 HD2 PHE A 35 114.110 -1.476 9.255 1.00 0.00 H new ATOM 0 HE1 PHE A 35 117.517 -1.680 5.655 1.00 0.00 H new ATOM 0 HE2 PHE A 35 115.193 0.605 8.453 1.00 0.00 H new ATOM 0 HZ PHE A 35 116.895 0.504 6.652 1.00 0.00 H new ATOM 628 N ASP A 36 114.763 -6.393 6.443 1.00 0.00 N ATOM 629 CA ASP A 36 115.492 -7.141 5.421 1.00 0.00 C ATOM 630 C ASP A 36 114.532 -7.765 4.409 1.00 0.00 C ATOM 631 O ASP A 36 114.916 -8.059 3.275 1.00 0.00 O ATOM 632 CB ASP A 36 116.332 -8.240 6.076 1.00 0.00 C ATOM 633 CG ASP A 36 117.452 -7.616 6.901 1.00 0.00 C ATOM 634 OD1 ASP A 36 117.846 -8.221 7.886 1.00 0.00 O ATOM 635 OD2 ASP A 36 117.905 -6.546 6.533 1.00 0.00 O ATOM 0 H ASP A 36 114.677 -6.871 7.340 1.00 0.00 H new ATOM 0 HA ASP A 36 116.146 -6.446 4.895 1.00 0.00 H new ATOM 0 HB2 ASP A 36 115.702 -8.860 6.713 1.00 0.00 H new ATOM 0 HB3 ASP A 36 116.753 -8.893 5.311 1.00 0.00 H new ATOM 640 N PHE A 37 113.288 -7.967 4.827 1.00 0.00 N ATOM 641 CA PHE A 37 112.282 -8.559 3.954 1.00 0.00 C ATOM 642 C PHE A 37 112.025 -7.678 2.746 1.00 0.00 C ATOM 643 O PHE A 37 112.083 -8.140 1.605 1.00 0.00 O ATOM 644 CB PHE A 37 110.974 -8.757 4.724 1.00 0.00 C ATOM 645 CG PHE A 37 109.848 -8.984 3.749 1.00 0.00 C ATOM 646 CD1 PHE A 37 109.911 -10.058 2.854 1.00 0.00 C ATOM 647 CD2 PHE A 37 108.739 -8.128 3.738 1.00 0.00 C ATOM 648 CE1 PHE A 37 108.867 -10.277 1.948 1.00 0.00 C ATOM 649 CE2 PHE A 37 107.695 -8.346 2.832 1.00 0.00 C ATOM 650 CZ PHE A 37 107.759 -9.421 1.936 1.00 0.00 C ATOM 0 H PHE A 37 112.953 -7.731 5.761 1.00 0.00 H new ATOM 0 HA PHE A 37 112.657 -9.523 3.610 1.00 0.00 H new ATOM 0 HB2 PHE A 37 111.062 -9.608 5.399 1.00 0.00 H new ATOM 0 HB3 PHE A 37 110.766 -7.882 5.340 1.00 0.00 H new ATOM 0 HD1 PHE A 37 110.766 -10.718 2.862 1.00 0.00 H new ATOM 0 HD2 PHE A 37 108.690 -7.299 4.429 1.00 0.00 H new ATOM 0 HE1 PHE A 37 108.916 -11.106 1.258 1.00 0.00 H new ATOM 0 HE2 PHE A 37 106.840 -7.686 2.824 1.00 0.00 H new ATOM 0 HZ PHE A 37 106.954 -9.589 1.236 1.00 0.00 H new ATOM 660 N VAL A 38 111.752 -6.405 2.997 1.00 0.00 N ATOM 661 CA VAL A 38 111.501 -5.472 1.902 1.00 0.00 C ATOM 662 C VAL A 38 112.801 -5.116 1.194 1.00 0.00 C ATOM 663 O VAL A 38 112.816 -4.892 -0.012 1.00 0.00 O ATOM 664 CB VAL A 38 110.829 -4.196 2.415 1.00 0.00 C ATOM 665 CG1 VAL A 38 109.364 -4.479 2.764 1.00 0.00 C ATOM 666 CG2 VAL A 38 111.562 -3.697 3.662 1.00 0.00 C ATOM 0 H VAL A 38 111.699 -5.998 3.931 1.00 0.00 H new ATOM 0 HA VAL A 38 110.831 -5.961 1.194 1.00 0.00 H new ATOM 0 HB VAL A 38 110.871 -3.434 1.636 1.00 0.00 H new ATOM 0 HG11 VAL A 38 108.894 -3.566 3.128 1.00 0.00 H new ATOM 0 HG12 VAL A 38 108.839 -4.828 1.875 1.00 0.00 H new ATOM 0 HG13 VAL A 38 109.316 -5.245 3.538 1.00 0.00 H new ATOM 0 HG21 VAL A 38 111.083 -2.788 4.027 1.00 0.00 H new ATOM 0 HG22 VAL A 38 111.525 -4.463 4.437 1.00 0.00 H new ATOM 0 HG23 VAL A 38 112.601 -3.484 3.412 1.00 0.00 H new ATOM 676 N LYS A 39 113.891 -5.073 1.950 1.00 0.00 N ATOM 677 CA LYS A 39 115.194 -4.739 1.377 1.00 0.00 C ATOM 678 C LYS A 39 115.554 -5.709 0.258 1.00 0.00 C ATOM 679 O LYS A 39 116.267 -5.349 -0.679 1.00 0.00 O ATOM 680 CB LYS A 39 116.271 -4.786 2.463 1.00 0.00 C ATOM 681 CG LYS A 39 117.524 -4.053 1.981 1.00 0.00 C ATOM 682 CD LYS A 39 118.554 -4.015 3.111 1.00 0.00 C ATOM 683 CE LYS A 39 119.816 -3.299 2.629 1.00 0.00 C ATOM 684 NZ LYS A 39 120.832 -3.298 3.719 1.00 0.00 N ATOM 0 H LYS A 39 113.902 -5.263 2.952 1.00 0.00 H new ATOM 0 HA LYS A 39 115.139 -3.732 0.964 1.00 0.00 H new ATOM 0 HB2 LYS A 39 115.898 -4.326 3.378 1.00 0.00 H new ATOM 0 HB3 LYS A 39 116.514 -5.821 2.703 1.00 0.00 H new ATOM 0 HG2 LYS A 39 117.942 -4.557 1.110 1.00 0.00 H new ATOM 0 HG3 LYS A 39 117.270 -3.039 1.671 1.00 0.00 H new ATOM 0 HD2 LYS A 39 118.140 -3.500 3.978 1.00 0.00 H new ATOM 0 HD3 LYS A 39 118.798 -5.029 3.429 1.00 0.00 H new ATOM 0 HE2 LYS A 39 120.215 -3.797 1.746 1.00 0.00 H new ATOM 0 HE3 LYS A 39 119.578 -2.276 2.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 121.691 -2.811 3.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 120.449 -2.804 4.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 121.066 -4.278 3.976 1.00 0.00 H new ATOM 698 N ASP A 40 115.071 -6.939 0.362 1.00 0.00 N ATOM 699 CA ASP A 40 115.365 -7.942 -0.653 1.00 0.00 C ATOM 700 C ASP A 40 115.176 -7.364 -2.056 1.00 0.00 C ATOM 701 O ASP A 40 116.111 -7.351 -2.857 1.00 0.00 O ATOM 702 CB ASP A 40 114.443 -9.150 -0.469 1.00 0.00 C ATOM 703 CG ASP A 40 114.769 -10.224 -1.502 1.00 0.00 C ATOM 704 OD1 ASP A 40 114.255 -11.322 -1.368 1.00 0.00 O ATOM 705 OD2 ASP A 40 115.525 -9.932 -2.415 1.00 0.00 O ATOM 0 H ASP A 40 114.481 -7.264 1.128 1.00 0.00 H new ATOM 0 HA ASP A 40 116.404 -8.252 -0.540 1.00 0.00 H new ATOM 0 HB2 ASP A 40 114.559 -9.555 0.536 1.00 0.00 H new ATOM 0 HB3 ASP A 40 113.403 -8.841 -0.571 1.00 0.00 H new ATOM 710 N THR A 41 113.967 -6.886 -2.343 1.00 0.00 N ATOM 711 CA THR A 41 113.669 -6.306 -3.653 1.00 0.00 C ATOM 712 C THR A 41 113.350 -4.818 -3.533 1.00 0.00 C ATOM 713 O THR A 41 113.135 -4.135 -4.535 1.00 0.00 O ATOM 714 CB THR A 41 112.480 -7.033 -4.283 1.00 0.00 C ATOM 715 OG1 THR A 41 111.344 -6.895 -3.442 1.00 0.00 O ATOM 716 CG2 THR A 41 112.819 -8.515 -4.451 1.00 0.00 C ATOM 0 H THR A 41 113.182 -6.888 -1.692 1.00 0.00 H new ATOM 0 HA THR A 41 114.549 -6.422 -4.285 1.00 0.00 H new ATOM 0 HB THR A 41 112.263 -6.600 -5.259 1.00 0.00 H new ATOM 0 HG1 THR A 41 110.580 -7.359 -3.845 1.00 0.00 H new ATOM 0 HG21 THR A 41 111.972 -9.033 -4.900 1.00 0.00 H new ATOM 0 HG22 THR A 41 113.691 -8.618 -5.097 1.00 0.00 H new ATOM 0 HG23 THR A 41 113.036 -8.951 -3.476 1.00 0.00 H new ATOM 724 N CYS A 42 113.303 -4.329 -2.299 1.00 0.00 N ATOM 725 CA CYS A 42 112.985 -2.926 -2.048 1.00 0.00 C ATOM 726 C CYS A 42 111.833 -2.462 -2.941 1.00 0.00 C ATOM 727 O CYS A 42 112.013 -1.613 -3.813 1.00 0.00 O ATOM 728 CB CYS A 42 114.222 -2.060 -2.293 1.00 0.00 C ATOM 729 SG CYS A 42 115.697 -2.942 -1.731 1.00 0.00 S ATOM 0 H CYS A 42 113.480 -4.880 -1.459 1.00 0.00 H new ATOM 0 HA CYS A 42 112.675 -2.822 -1.008 1.00 0.00 H new ATOM 0 HB2 CYS A 42 114.309 -1.823 -3.353 1.00 0.00 H new ATOM 0 HB3 CYS A 42 114.127 -1.113 -1.762 1.00 0.00 H new ATOM 0 HG CYS A 42 115.407 -4.195 -1.540 1.00 0.00 H new ATOM 735 N PRO A 43 110.657 -3.005 -2.744 1.00 0.00 N ATOM 736 CA PRO A 43 109.449 -2.636 -3.548 1.00 0.00 C ATOM 737 C PRO A 43 109.052 -1.174 -3.352 1.00 0.00 C ATOM 738 O PRO A 43 108.478 -0.546 -4.240 1.00 0.00 O ATOM 739 CB PRO A 43 108.350 -3.568 -3.025 1.00 0.00 C ATOM 740 CG PRO A 43 109.069 -4.666 -2.322 1.00 0.00 C ATOM 741 CD PRO A 43 110.331 -4.033 -1.747 1.00 0.00 C ATOM 0 HA PRO A 43 109.630 -2.745 -4.617 1.00 0.00 H new ATOM 0 HB2 PRO A 43 107.677 -3.042 -2.348 1.00 0.00 H new ATOM 0 HB3 PRO A 43 107.741 -3.956 -3.842 1.00 0.00 H new ATOM 0 HG2 PRO A 43 108.452 -5.095 -1.533 1.00 0.00 H new ATOM 0 HG3 PRO A 43 109.315 -5.475 -3.009 1.00 0.00 H new ATOM 0 HD2 PRO A 43 110.155 -3.601 -0.762 1.00 0.00 H new ATOM 0 HD3 PRO A 43 111.135 -4.760 -1.637 1.00 0.00 H new ATOM 749 N TRP A 44 109.355 -0.638 -2.176 1.00 0.00 N ATOM 750 CA TRP A 44 109.018 0.747 -1.864 1.00 0.00 C ATOM 751 C TRP A 44 109.824 1.717 -2.731 1.00 0.00 C ATOM 752 O TRP A 44 110.038 2.871 -2.353 1.00 0.00 O ATOM 753 CB TRP A 44 109.284 1.016 -0.381 1.00 0.00 C ATOM 754 CG TRP A 44 108.016 0.839 0.388 1.00 0.00 C ATOM 755 CD1 TRP A 44 107.240 1.845 0.854 1.00 0.00 C ATOM 756 CD2 TRP A 44 107.361 -0.401 0.786 1.00 0.00 C ATOM 757 NE1 TRP A 44 106.151 1.302 1.512 1.00 0.00 N ATOM 758 CE2 TRP A 44 106.181 -0.079 1.498 1.00 0.00 C ATOM 759 CE3 TRP A 44 107.674 -1.760 0.602 1.00 0.00 C ATOM 760 CZ2 TRP A 44 105.341 -1.070 2.008 1.00 0.00 C ATOM 761 CZ3 TRP A 44 106.830 -2.759 1.114 1.00 0.00 C ATOM 762 CH2 TRP A 44 105.666 -2.414 1.816 1.00 0.00 C ATOM 0 H TRP A 44 109.831 -1.138 -1.425 1.00 0.00 H new ATOM 0 HA TRP A 44 107.961 0.905 -2.078 1.00 0.00 H new ATOM 0 HB2 TRP A 44 110.048 0.334 -0.007 1.00 0.00 H new ATOM 0 HB3 TRP A 44 109.666 2.028 -0.246 1.00 0.00 H new ATOM 0 HD1 TRP A 44 107.438 2.900 0.732 1.00 0.00 H new ATOM 0 HE1 TRP A 44 105.416 1.854 1.954 1.00 0.00 H new ATOM 0 HE3 TRP A 44 108.569 -2.037 0.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 104.446 -0.799 2.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 107.079 -3.799 0.966 1.00 0.00 H new ATOM 0 HH2 TRP A 44 105.022 -3.187 2.208 1.00 0.00 H new ATOM 773 N PHE A 45 110.267 1.247 -3.897 1.00 0.00 N ATOM 774 CA PHE A 45 111.042 2.084 -4.800 1.00 0.00 C ATOM 775 C PHE A 45 112.052 2.914 -4.008 1.00 0.00 C ATOM 776 O PHE A 45 111.785 4.071 -3.682 1.00 0.00 O ATOM 777 CB PHE A 45 110.112 3.007 -5.585 1.00 0.00 C ATOM 778 CG PHE A 45 109.384 2.192 -6.628 1.00 0.00 C ATOM 779 CD1 PHE A 45 110.081 1.675 -7.726 1.00 0.00 C ATOM 780 CD2 PHE A 45 108.013 1.944 -6.490 1.00 0.00 C ATOM 781 CE1 PHE A 45 109.409 0.913 -8.688 1.00 0.00 C ATOM 782 CE2 PHE A 45 107.339 1.182 -7.452 1.00 0.00 C ATOM 783 CZ PHE A 45 108.037 0.665 -8.550 1.00 0.00 C ATOM 0 H PHE A 45 110.102 0.298 -4.233 1.00 0.00 H new ATOM 0 HA PHE A 45 111.580 1.444 -5.499 1.00 0.00 H new ATOM 0 HB2 PHE A 45 109.398 3.484 -4.913 1.00 0.00 H new ATOM 0 HB3 PHE A 45 110.684 3.804 -6.060 1.00 0.00 H new ATOM 0 HD1 PHE A 45 111.139 1.864 -7.831 1.00 0.00 H new ATOM 0 HD2 PHE A 45 107.475 2.340 -5.641 1.00 0.00 H new ATOM 0 HE1 PHE A 45 109.947 0.516 -9.536 1.00 0.00 H new ATOM 0 HE2 PHE A 45 106.281 0.993 -7.347 1.00 0.00 H new ATOM 0 HZ PHE A 45 107.518 0.075 -9.291 1.00 0.00 H new ATOM 793 N PRO A 46 113.189 2.353 -3.668 1.00 0.00 N ATOM 794 CA PRO A 46 114.222 3.075 -2.870 1.00 0.00 C ATOM 795 C PRO A 46 114.623 4.398 -3.500 1.00 0.00 C ATOM 796 O PRO A 46 115.389 5.164 -2.916 1.00 0.00 O ATOM 797 CB PRO A 46 115.414 2.112 -2.817 1.00 0.00 C ATOM 798 CG PRO A 46 115.150 1.083 -3.858 1.00 0.00 C ATOM 799 CD PRO A 46 113.637 0.988 -3.998 1.00 0.00 C ATOM 0 HA PRO A 46 113.845 3.336 -1.881 1.00 0.00 H new ATOM 0 HB2 PRO A 46 116.349 2.636 -3.014 1.00 0.00 H new ATOM 0 HB3 PRO A 46 115.505 1.656 -1.831 1.00 0.00 H new ATOM 0 HG2 PRO A 46 115.610 1.363 -4.806 1.00 0.00 H new ATOM 0 HG3 PRO A 46 115.574 0.121 -3.569 1.00 0.00 H new ATOM 0 HD2 PRO A 46 113.342 0.699 -5.007 1.00 0.00 H new ATOM 0 HD3 PRO A 46 113.214 0.249 -3.318 1.00 0.00 H new ATOM 807 N GLN A 47 114.111 4.663 -4.696 1.00 0.00 N ATOM 808 CA GLN A 47 114.446 5.907 -5.374 1.00 0.00 C ATOM 809 C GLN A 47 113.559 7.043 -4.874 1.00 0.00 C ATOM 810 O GLN A 47 114.049 8.057 -4.379 1.00 0.00 O ATOM 811 CB GLN A 47 114.246 5.732 -6.879 1.00 0.00 C ATOM 812 CG GLN A 47 115.085 4.548 -7.370 1.00 0.00 C ATOM 813 CD GLN A 47 116.567 4.839 -7.169 1.00 0.00 C ATOM 814 OE1 GLN A 47 117.026 5.946 -7.455 1.00 0.00 O ATOM 815 NE2 GLN A 47 117.350 3.909 -6.694 1.00 0.00 N ATOM 0 H GLN A 47 113.477 4.048 -5.206 1.00 0.00 H new ATOM 0 HA GLN A 47 115.486 6.155 -5.163 1.00 0.00 H new ATOM 0 HB2 GLN A 47 113.192 5.561 -7.099 1.00 0.00 H new ATOM 0 HB3 GLN A 47 114.538 6.641 -7.404 1.00 0.00 H new ATOM 0 HG2 GLN A 47 114.807 3.645 -6.827 1.00 0.00 H new ATOM 0 HG3 GLN A 47 114.883 4.361 -8.425 1.00 0.00 H new ATOM 0 HE21 GLN A 47 116.969 2.993 -6.458 1.00 0.00 H new ATOM 0 HE22 GLN A 47 118.343 4.098 -6.559 1.00 0.00 H new ATOM 824 N GLU A 48 112.249 6.849 -4.992 1.00 0.00 N ATOM 825 CA GLU A 48 111.286 7.850 -4.531 1.00 0.00 C ATOM 826 C GLU A 48 110.874 7.573 -3.087 1.00 0.00 C ATOM 827 O GLU A 48 110.425 8.470 -2.373 1.00 0.00 O ATOM 828 CB GLU A 48 110.050 7.854 -5.434 1.00 0.00 C ATOM 829 CG GLU A 48 109.845 6.461 -6.038 1.00 0.00 C ATOM 830 CD GLU A 48 108.575 6.436 -6.879 1.00 0.00 C ATOM 831 OE1 GLU A 48 107.542 6.826 -6.359 1.00 0.00 O ATOM 832 OE2 GLU A 48 108.649 6.028 -8.025 1.00 0.00 O ATOM 0 H GLU A 48 111.829 6.014 -5.400 1.00 0.00 H new ATOM 0 HA GLU A 48 111.762 8.829 -4.577 1.00 0.00 H new ATOM 0 HB2 GLU A 48 109.170 8.145 -4.860 1.00 0.00 H new ATOM 0 HB3 GLU A 48 110.171 8.591 -6.228 1.00 0.00 H new ATOM 0 HG2 GLU A 48 110.704 6.193 -6.654 1.00 0.00 H new ATOM 0 HG3 GLU A 48 109.779 5.718 -5.243 1.00 0.00 H new ATOM 839 N GLY A 49 111.015 6.316 -2.671 1.00 0.00 N ATOM 840 CA GLY A 49 110.640 5.920 -1.316 1.00 0.00 C ATOM 841 C GLY A 49 109.151 6.156 -1.080 1.00 0.00 C ATOM 842 O GLY A 49 108.760 7.132 -0.440 1.00 0.00 O ATOM 0 H GLY A 49 111.383 5.560 -3.248 1.00 0.00 H new ATOM 0 HA2 GLY A 49 110.876 4.867 -1.161 1.00 0.00 H new ATOM 0 HA3 GLY A 49 111.223 6.488 -0.591 1.00 0.00 H new ATOM 846 N THR A 50 108.327 5.261 -1.614 1.00 0.00 N ATOM 847 CA THR A 50 106.881 5.382 -1.473 1.00 0.00 C ATOM 848 C THR A 50 106.226 4.014 -1.365 1.00 0.00 C ATOM 849 O THR A 50 106.870 2.986 -1.573 1.00 0.00 O ATOM 850 CB THR A 50 106.297 6.124 -2.675 1.00 0.00 C ATOM 851 OG1 THR A 50 104.899 6.308 -2.488 1.00 0.00 O ATOM 852 CG2 THR A 50 106.545 5.309 -3.950 1.00 0.00 C ATOM 0 H THR A 50 108.634 4.447 -2.146 1.00 0.00 H new ATOM 0 HA THR A 50 106.680 5.941 -0.559 1.00 0.00 H new ATOM 0 HB THR A 50 106.778 7.097 -2.770 1.00 0.00 H new ATOM 0 HG1 THR A 50 104.526 6.785 -3.258 1.00 0.00 H new ATOM 0 HG21 THR A 50 106.128 5.838 -4.807 1.00 0.00 H new ATOM 0 HG22 THR A 50 107.617 5.174 -4.093 1.00 0.00 H new ATOM 0 HG23 THR A 50 106.066 4.334 -3.858 1.00 0.00 H new ATOM 860 N ILE A 51 104.937 4.011 -1.049 1.00 0.00 N ATOM 861 CA ILE A 51 104.200 2.764 -0.930 1.00 0.00 C ATOM 862 C ILE A 51 103.421 2.500 -2.213 1.00 0.00 C ATOM 863 O ILE A 51 102.858 3.421 -2.807 1.00 0.00 O ATOM 864 CB ILE A 51 103.226 2.836 0.242 1.00 0.00 C ATOM 865 CG1 ILE A 51 103.829 3.694 1.353 1.00 0.00 C ATOM 866 CG2 ILE A 51 102.969 1.426 0.770 1.00 0.00 C ATOM 867 CD1 ILE A 51 103.183 3.350 2.690 1.00 0.00 C ATOM 0 H ILE A 51 104.386 4.851 -0.872 1.00 0.00 H new ATOM 0 HA ILE A 51 104.910 1.955 -0.758 1.00 0.00 H new ATOM 0 HB ILE A 51 102.287 3.280 -0.089 1.00 0.00 H new ATOM 0 HG12 ILE A 51 104.905 3.529 1.407 1.00 0.00 H new ATOM 0 HG13 ILE A 51 103.679 4.750 1.129 1.00 0.00 H new ATOM 0 HG21 ILE A 51 102.273 1.472 1.608 1.00 0.00 H new ATOM 0 HG22 ILE A 51 102.541 0.813 -0.023 1.00 0.00 H new ATOM 0 HG23 ILE A 51 103.909 0.985 1.103 1.00 0.00 H new ATOM 0 HD11 ILE A 51 103.620 3.967 3.475 1.00 0.00 H new ATOM 0 HD12 ILE A 51 102.111 3.538 2.635 1.00 0.00 H new ATOM 0 HD13 ILE A 51 103.355 2.298 2.917 1.00 0.00 H new ATOM 879 N ASP A 52 103.379 1.242 -2.634 1.00 0.00 N ATOM 880 CA ASP A 52 102.650 0.870 -3.847 1.00 0.00 C ATOM 881 C ASP A 52 101.796 -0.372 -3.599 1.00 0.00 C ATOM 882 O ASP A 52 102.304 -1.418 -3.210 1.00 0.00 O ATOM 883 CB ASP A 52 103.638 0.575 -4.973 1.00 0.00 C ATOM 884 CG ASP A 52 102.888 0.259 -6.262 1.00 0.00 C ATOM 885 OD1 ASP A 52 103.542 0.112 -7.282 1.00 0.00 O ATOM 886 OD2 ASP A 52 101.672 0.176 -6.213 1.00 0.00 O ATOM 0 H ASP A 52 103.837 0.464 -2.159 1.00 0.00 H new ATOM 0 HA ASP A 52 102.002 1.701 -4.127 1.00 0.00 H new ATOM 0 HB2 ASP A 52 104.293 1.433 -5.126 1.00 0.00 H new ATOM 0 HB3 ASP A 52 104.274 -0.267 -4.698 1.00 0.00 H new ATOM 891 N ILE A 53 100.500 -0.241 -3.832 1.00 0.00 N ATOM 892 CA ILE A 53 99.576 -1.351 -3.633 1.00 0.00 C ATOM 893 C ILE A 53 99.792 -2.441 -4.681 1.00 0.00 C ATOM 894 O ILE A 53 99.743 -3.632 -4.370 1.00 0.00 O ATOM 895 CB ILE A 53 98.133 -0.848 -3.698 1.00 0.00 C ATOM 896 CG1 ILE A 53 97.971 0.344 -2.737 1.00 0.00 C ATOM 897 CG2 ILE A 53 97.181 -1.981 -3.288 1.00 0.00 C ATOM 898 CD1 ILE A 53 98.433 -0.044 -1.324 1.00 0.00 C ATOM 0 H ILE A 53 100.062 0.621 -4.159 1.00 0.00 H new ATOM 0 HA ILE A 53 99.767 -1.779 -2.649 1.00 0.00 H new ATOM 0 HB ILE A 53 97.896 -0.530 -4.713 1.00 0.00 H new ATOM 0 HG12 ILE A 53 98.553 1.192 -3.097 1.00 0.00 H new ATOM 0 HG13 ILE A 53 96.928 0.661 -2.712 1.00 0.00 H new ATOM 0 HG21 ILE A 53 96.152 -1.626 -3.333 1.00 0.00 H new ATOM 0 HG22 ILE A 53 97.304 -2.824 -3.968 1.00 0.00 H new ATOM 0 HG23 ILE A 53 97.411 -2.299 -2.271 1.00 0.00 H new ATOM 0 HD11 ILE A 53 98.313 0.808 -0.655 1.00 0.00 H new ATOM 0 HD12 ILE A 53 97.832 -0.878 -0.961 1.00 0.00 H new ATOM 0 HD13 ILE A 53 99.482 -0.338 -1.352 1.00 0.00 H new ATOM 910 N LYS A 54 100.014 -2.026 -5.921 1.00 0.00 N ATOM 911 CA LYS A 54 100.219 -2.978 -7.007 1.00 0.00 C ATOM 912 C LYS A 54 101.498 -3.787 -6.790 1.00 0.00 C ATOM 913 O LYS A 54 101.486 -5.022 -6.833 1.00 0.00 O ATOM 914 CB LYS A 54 100.324 -2.218 -8.331 1.00 0.00 C ATOM 915 CG LYS A 54 99.120 -1.281 -8.498 1.00 0.00 C ATOM 916 CD LYS A 54 97.827 -2.095 -8.591 1.00 0.00 C ATOM 917 CE LYS A 54 96.713 -1.222 -9.175 1.00 0.00 C ATOM 918 NZ LYS A 54 95.489 -2.048 -9.367 1.00 0.00 N ATOM 0 H LYS A 54 100.057 -1.046 -6.200 1.00 0.00 H new ATOM 0 HA LYS A 54 99.373 -3.664 -7.030 1.00 0.00 H new ATOM 0 HB2 LYS A 54 101.249 -1.642 -8.356 1.00 0.00 H new ATOM 0 HB3 LYS A 54 100.364 -2.923 -9.162 1.00 0.00 H new ATOM 0 HG2 LYS A 54 99.065 -0.593 -7.654 1.00 0.00 H new ATOM 0 HG3 LYS A 54 99.243 -0.675 -9.396 1.00 0.00 H new ATOM 0 HD2 LYS A 54 97.982 -2.973 -9.218 1.00 0.00 H new ATOM 0 HD3 LYS A 54 97.540 -2.456 -7.603 1.00 0.00 H new ATOM 0 HE2 LYS A 54 96.501 -0.388 -8.507 1.00 0.00 H new ATOM 0 HE3 LYS A 54 97.031 -0.796 -10.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 94.730 -1.457 -9.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 95.697 -2.830 -10.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 95.184 -2.434 -8.451 1.00 0.00 H new ATOM 932 N ARG A 55 102.602 -3.085 -6.555 1.00 0.00 N ATOM 933 CA ARG A 55 103.882 -3.747 -6.335 1.00 0.00 C ATOM 934 C ARG A 55 103.866 -4.510 -5.019 1.00 0.00 C ATOM 935 O ARG A 55 104.405 -5.612 -4.924 1.00 0.00 O ATOM 936 CB ARG A 55 105.017 -2.724 -6.316 1.00 0.00 C ATOM 937 CG ARG A 55 106.312 -3.389 -6.793 1.00 0.00 C ATOM 938 CD ARG A 55 107.441 -2.360 -6.789 1.00 0.00 C ATOM 939 NE ARG A 55 108.653 -2.938 -7.359 1.00 0.00 N ATOM 940 CZ ARG A 55 108.889 -2.898 -8.665 1.00 0.00 C ATOM 941 NH1 ARG A 55 109.983 -3.423 -9.148 1.00 0.00 N ATOM 942 NH2 ARG A 55 108.028 -2.335 -9.467 1.00 0.00 N ATOM 0 H ARG A 55 102.636 -2.066 -6.512 1.00 0.00 H new ATOM 0 HA ARG A 55 104.046 -4.448 -7.154 1.00 0.00 H new ATOM 0 HB2 ARG A 55 104.771 -1.880 -6.960 1.00 0.00 H new ATOM 0 HB3 ARG A 55 105.148 -2.329 -5.309 1.00 0.00 H new ATOM 0 HG2 ARG A 55 106.565 -4.226 -6.142 1.00 0.00 H new ATOM 0 HG3 ARG A 55 106.178 -3.794 -7.796 1.00 0.00 H new ATOM 0 HD2 ARG A 55 107.144 -1.482 -7.362 1.00 0.00 H new ATOM 0 HD3 ARG A 55 107.634 -2.025 -5.770 1.00 0.00 H new ATOM 0 HE ARG A 55 109.333 -3.382 -6.742 1.00 0.00 H new ATOM 0 HH11 ARG A 55 110.657 -3.864 -8.522 1.00 0.00 H new ATOM 0 HH12 ARG A 55 110.164 -3.392 -10.151 1.00 0.00 H new ATOM 0 HH21 ARG A 55 107.173 -1.925 -9.091 1.00 0.00 H new ATOM 0 HH22 ARG A 55 108.210 -2.305 -10.470 1.00 0.00 H new ATOM 956 N TRP A 56 103.243 -3.915 -4.004 1.00 0.00 N ATOM 957 CA TRP A 56 103.162 -4.545 -2.696 1.00 0.00 C ATOM 958 C TRP A 56 102.519 -5.924 -2.813 1.00 0.00 C ATOM 959 O TRP A 56 102.889 -6.860 -2.106 1.00 0.00 O ATOM 960 CB TRP A 56 102.367 -3.674 -1.729 1.00 0.00 C ATOM 961 CG TRP A 56 102.062 -4.451 -0.489 1.00 0.00 C ATOM 962 CD1 TRP A 56 100.816 -4.732 -0.043 1.00 0.00 C ATOM 963 CD2 TRP A 56 102.985 -5.046 0.468 1.00 0.00 C ATOM 964 NE1 TRP A 56 100.916 -5.461 1.128 1.00 0.00 N ATOM 965 CE2 TRP A 56 102.231 -5.681 1.484 1.00 0.00 C ATOM 966 CE3 TRP A 56 104.388 -5.097 0.554 1.00 0.00 C ATOM 967 CZ2 TRP A 56 102.848 -6.342 2.548 1.00 0.00 C ATOM 968 CZ3 TRP A 56 105.012 -5.762 1.623 1.00 0.00 C ATOM 969 CH2 TRP A 56 104.243 -6.382 2.617 1.00 0.00 C ATOM 0 H TRP A 56 102.791 -3.003 -4.065 1.00 0.00 H new ATOM 0 HA TRP A 56 104.173 -4.660 -2.306 1.00 0.00 H new ATOM 0 HB2 TRP A 56 102.936 -2.779 -1.478 1.00 0.00 H new ATOM 0 HB3 TRP A 56 101.441 -3.342 -2.199 1.00 0.00 H new ATOM 0 HD1 TRP A 56 99.895 -4.436 -0.523 1.00 0.00 H new ATOM 0 HE1 TRP A 56 100.115 -5.795 1.664 1.00 0.00 H new ATOM 0 HE3 TRP A 56 104.990 -4.622 -0.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 102.252 -6.819 3.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 106.090 -5.795 1.679 1.00 0.00 H new ATOM 0 HH2 TRP A 56 104.729 -6.891 3.437 1.00 0.00 H new ATOM 980 N ARG A 57 101.552 -6.040 -3.714 1.00 0.00 N ATOM 981 CA ARG A 57 100.873 -7.312 -3.925 1.00 0.00 C ATOM 982 C ARG A 57 101.834 -8.328 -4.540 1.00 0.00 C ATOM 983 O ARG A 57 101.841 -9.497 -4.160 1.00 0.00 O ATOM 984 CB ARG A 57 99.657 -7.125 -4.836 1.00 0.00 C ATOM 985 CG ARG A 57 98.915 -8.455 -4.988 1.00 0.00 C ATOM 986 CD ARG A 57 97.669 -8.244 -5.846 1.00 0.00 C ATOM 987 NE ARG A 57 96.726 -7.373 -5.153 1.00 0.00 N ATOM 988 CZ ARG A 57 95.885 -7.858 -4.247 1.00 0.00 C ATOM 989 NH1 ARG A 57 95.048 -7.060 -3.640 1.00 0.00 N ATOM 990 NH2 ARG A 57 95.893 -9.132 -3.963 1.00 0.00 N ATOM 0 H ARG A 57 101.223 -5.277 -4.305 1.00 0.00 H new ATOM 0 HA ARG A 57 100.533 -7.686 -2.959 1.00 0.00 H new ATOM 0 HB2 ARG A 57 98.990 -6.371 -4.418 1.00 0.00 H new ATOM 0 HB3 ARG A 57 99.975 -6.762 -5.813 1.00 0.00 H new ATOM 0 HG2 ARG A 57 99.567 -9.197 -5.449 1.00 0.00 H new ATOM 0 HG3 ARG A 57 98.635 -8.842 -4.008 1.00 0.00 H new ATOM 0 HD2 ARG A 57 97.947 -7.803 -6.803 1.00 0.00 H new ATOM 0 HD3 ARG A 57 97.199 -9.204 -6.061 1.00 0.00 H new ATOM 0 HE ARG A 57 96.712 -6.376 -5.368 1.00 0.00 H new ATOM 0 HH11 ARG A 57 95.040 -6.064 -3.862 1.00 0.00 H new ATOM 0 HH12 ARG A 57 94.402 -7.432 -2.944 1.00 0.00 H new ATOM 0 HH21 ARG A 57 96.546 -9.756 -4.437 1.00 0.00 H new ATOM 0 HH22 ARG A 57 95.247 -9.503 -3.267 1.00 0.00 H new ATOM 1004 N ARG A 58 102.643 -7.877 -5.500 1.00 0.00 N ATOM 1005 CA ARG A 58 103.597 -8.773 -6.157 1.00 0.00 C ATOM 1006 C ARG A 58 104.585 -9.366 -5.155 1.00 0.00 C ATOM 1007 O ARG A 58 104.786 -10.577 -5.113 1.00 0.00 O ATOM 1008 CB ARG A 58 104.373 -8.010 -7.229 1.00 0.00 C ATOM 1009 CG ARG A 58 103.471 -7.761 -8.440 1.00 0.00 C ATOM 1010 CD ARG A 58 104.221 -6.914 -9.468 1.00 0.00 C ATOM 1011 NE ARG A 58 105.400 -7.627 -9.945 1.00 0.00 N ATOM 1012 CZ ARG A 58 105.323 -8.498 -10.945 1.00 0.00 C ATOM 1013 NH1 ARG A 58 106.395 -9.121 -11.353 1.00 0.00 N ATOM 1014 NH2 ARG A 58 104.174 -8.733 -11.518 1.00 0.00 N ATOM 0 H ARG A 58 102.658 -6.914 -5.836 1.00 0.00 H new ATOM 0 HA ARG A 58 103.030 -9.586 -6.610 1.00 0.00 H new ATOM 0 HB2 ARG A 58 104.729 -7.061 -6.828 1.00 0.00 H new ATOM 0 HB3 ARG A 58 105.253 -8.579 -7.529 1.00 0.00 H new ATOM 0 HG2 ARG A 58 103.170 -8.710 -8.884 1.00 0.00 H new ATOM 0 HG3 ARG A 58 102.559 -7.252 -8.129 1.00 0.00 H new ATOM 0 HD2 ARG A 58 103.564 -6.681 -10.306 1.00 0.00 H new ATOM 0 HD3 ARG A 58 104.517 -5.965 -9.021 1.00 0.00 H new ATOM 0 HE ARG A 58 106.302 -7.453 -9.502 1.00 0.00 H new ATOM 0 HH11 ARG A 58 107.293 -8.939 -10.904 1.00 0.00 H new ATOM 0 HH12 ARG A 58 106.335 -9.790 -12.121 1.00 0.00 H new ATOM 0 HH21 ARG A 58 103.336 -8.248 -11.198 1.00 0.00 H new ATOM 0 HH22 ARG A 58 104.114 -9.402 -12.286 1.00 0.00 H new ATOM 1028 N VAL A 59 105.192 -8.509 -4.346 1.00 0.00 N ATOM 1029 CA VAL A 59 106.155 -8.967 -3.342 1.00 0.00 C ATOM 1030 C VAL A 59 105.461 -9.855 -2.311 1.00 0.00 C ATOM 1031 O VAL A 59 106.013 -10.866 -1.875 1.00 0.00 O ATOM 1032 CB VAL A 59 106.802 -7.760 -2.647 1.00 0.00 C ATOM 1033 CG1 VAL A 59 105.715 -6.832 -2.120 1.00 0.00 C ATOM 1034 CG2 VAL A 59 107.659 -8.225 -1.473 1.00 0.00 C ATOM 0 H VAL A 59 105.040 -7.501 -4.361 1.00 0.00 H new ATOM 0 HA VAL A 59 106.931 -9.549 -3.839 1.00 0.00 H new ATOM 0 HB VAL A 59 107.427 -7.235 -3.369 1.00 0.00 H new ATOM 0 HG11 VAL A 59 106.175 -5.976 -1.627 1.00 0.00 H new ATOM 0 HG12 VAL A 59 105.099 -6.485 -2.950 1.00 0.00 H new ATOM 0 HG13 VAL A 59 105.092 -7.370 -1.406 1.00 0.00 H new ATOM 0 HG21 VAL A 59 108.112 -7.360 -0.988 1.00 0.00 H new ATOM 0 HG22 VAL A 59 107.035 -8.757 -0.755 1.00 0.00 H new ATOM 0 HG23 VAL A 59 108.443 -8.890 -1.836 1.00 0.00 H new ATOM 1044 N GLY A 60 104.252 -9.464 -1.919 1.00 0.00 N ATOM 1045 CA GLY A 60 103.496 -10.226 -0.931 1.00 0.00 C ATOM 1046 C GLY A 60 103.128 -11.618 -1.446 1.00 0.00 C ATOM 1047 O GLY A 60 103.405 -12.622 -0.790 1.00 0.00 O ATOM 0 H GLY A 60 103.778 -8.631 -2.267 1.00 0.00 H new ATOM 0 HA2 GLY A 60 104.083 -10.320 -0.018 1.00 0.00 H new ATOM 0 HA3 GLY A 60 102.587 -9.683 -0.671 1.00 0.00 H new ATOM 1051 N ASP A 61 102.501 -11.672 -2.618 1.00 0.00 N ATOM 1052 CA ASP A 61 102.095 -12.948 -3.199 1.00 0.00 C ATOM 1053 C ASP A 61 103.314 -13.766 -3.618 1.00 0.00 C ATOM 1054 O ASP A 61 103.260 -14.995 -3.676 1.00 0.00 O ATOM 1055 CB ASP A 61 101.179 -12.713 -4.408 1.00 0.00 C ATOM 1056 CG ASP A 61 101.903 -11.894 -5.471 1.00 0.00 C ATOM 1057 OD1 ASP A 61 103.090 -12.115 -5.650 1.00 0.00 O ATOM 1058 OD2 ASP A 61 101.267 -11.053 -6.084 1.00 0.00 O ATOM 0 H ASP A 61 102.265 -10.854 -3.180 1.00 0.00 H new ATOM 0 HA ASP A 61 101.548 -13.509 -2.441 1.00 0.00 H new ATOM 0 HB2 ASP A 61 100.866 -13.669 -4.827 1.00 0.00 H new ATOM 0 HB3 ASP A 61 100.275 -12.193 -4.092 1.00 0.00 H new ATOM 1063 N CYS A 62 104.409 -13.075 -3.914 1.00 0.00 N ATOM 1064 CA CYS A 62 105.637 -13.742 -4.334 1.00 0.00 C ATOM 1065 C CYS A 62 106.210 -14.601 -3.215 1.00 0.00 C ATOM 1066 O CYS A 62 106.664 -15.726 -3.447 1.00 0.00 O ATOM 1067 CB CYS A 62 106.680 -12.701 -4.751 1.00 0.00 C ATOM 1068 SG CYS A 62 106.407 -12.225 -6.476 1.00 0.00 S ATOM 0 H CYS A 62 104.472 -12.058 -3.871 1.00 0.00 H new ATOM 0 HA CYS A 62 105.394 -14.387 -5.179 1.00 0.00 H new ATOM 0 HB2 CYS A 62 106.612 -11.825 -4.106 1.00 0.00 H new ATOM 0 HB3 CYS A 62 107.684 -13.108 -4.630 1.00 0.00 H new ATOM 0 HG CYS A 62 105.445 -11.353 -6.538 1.00 0.00 H new ATOM 1074 N PHE A 63 106.167 -14.080 -1.993 1.00 0.00 N ATOM 1075 CA PHE A 63 106.673 -14.815 -0.846 1.00 0.00 C ATOM 1076 C PHE A 63 105.642 -15.816 -0.343 1.00 0.00 C ATOM 1077 O PHE A 63 105.991 -16.905 0.107 1.00 0.00 O ATOM 1078 CB PHE A 63 107.045 -13.844 0.272 1.00 0.00 C ATOM 1079 CG PHE A 63 108.444 -13.325 0.034 1.00 0.00 C ATOM 1080 CD1 PHE A 63 108.707 -12.506 -1.069 1.00 0.00 C ATOM 1081 CD2 PHE A 63 109.475 -13.659 0.920 1.00 0.00 C ATOM 1082 CE1 PHE A 63 110.002 -12.021 -1.289 1.00 0.00 C ATOM 1083 CE2 PHE A 63 110.770 -13.174 0.700 1.00 0.00 C ATOM 1084 CZ PHE A 63 111.034 -12.355 -0.404 1.00 0.00 C ATOM 0 H PHE A 63 105.789 -13.158 -1.775 1.00 0.00 H new ATOM 0 HA PHE A 63 107.561 -15.365 -1.157 1.00 0.00 H new ATOM 0 HB2 PHE A 63 106.337 -13.016 0.301 1.00 0.00 H new ATOM 0 HB3 PHE A 63 106.990 -14.345 1.238 1.00 0.00 H new ATOM 0 HD1 PHE A 63 107.911 -12.248 -1.751 1.00 0.00 H new ATOM 0 HD2 PHE A 63 109.272 -14.290 1.772 1.00 0.00 H new ATOM 0 HE1 PHE A 63 110.205 -11.389 -2.141 1.00 0.00 H new ATOM 0 HE2 PHE A 63 111.566 -13.432 1.383 1.00 0.00 H new ATOM 0 HZ PHE A 63 112.033 -11.981 -0.573 1.00 0.00 H new ATOM 1094 N GLN A 64 104.369 -15.439 -0.415 1.00 0.00 N ATOM 1095 CA GLN A 64 103.300 -16.318 0.045 1.00 0.00 C ATOM 1096 C GLN A 64 103.224 -17.565 -0.822 1.00 0.00 C ATOM 1097 O GLN A 64 103.076 -18.674 -0.315 1.00 0.00 O ATOM 1098 CB GLN A 64 101.959 -15.582 0.004 1.00 0.00 C ATOM 1099 CG GLN A 64 100.852 -16.500 0.528 1.00 0.00 C ATOM 1100 CD GLN A 64 99.542 -15.727 0.634 1.00 0.00 C ATOM 1101 OE1 GLN A 64 99.550 -14.499 0.716 1.00 0.00 O ATOM 1102 NE2 GLN A 64 98.410 -16.376 0.628 1.00 0.00 N ATOM 0 H GLN A 64 104.055 -14.541 -0.783 1.00 0.00 H new ATOM 0 HA GLN A 64 103.517 -16.615 1.071 1.00 0.00 H new ATOM 0 HB2 GLN A 64 102.011 -14.677 0.609 1.00 0.00 H new ATOM 0 HB3 GLN A 64 101.735 -15.271 -1.016 1.00 0.00 H new ATOM 0 HG2 GLN A 64 100.728 -17.352 -0.140 1.00 0.00 H new ATOM 0 HG3 GLN A 64 101.129 -16.898 1.504 1.00 0.00 H new ATOM 0 HE21 GLN A 64 98.406 -17.394 0.560 1.00 0.00 H new ATOM 0 HE22 GLN A 64 97.529 -15.866 0.691 1.00 0.00 H new ATOM 1111 N ASP A 65 103.330 -17.377 -2.127 1.00 0.00 N ATOM 1112 CA ASP A 65 103.277 -18.500 -3.049 1.00 0.00 C ATOM 1113 C ASP A 65 104.451 -19.443 -2.809 1.00 0.00 C ATOM 1114 O ASP A 65 104.270 -20.651 -2.665 1.00 0.00 O ATOM 1115 CB ASP A 65 103.322 -17.983 -4.481 1.00 0.00 C ATOM 1116 CG ASP A 65 103.432 -19.154 -5.454 1.00 0.00 C ATOM 1117 OD1 ASP A 65 103.245 -20.277 -5.015 1.00 0.00 O ATOM 1118 OD2 ASP A 65 103.699 -18.912 -6.619 1.00 0.00 O ATOM 0 H ASP A 65 103.452 -16.466 -2.569 1.00 0.00 H new ATOM 0 HA ASP A 65 102.349 -19.048 -2.884 1.00 0.00 H new ATOM 0 HB2 ASP A 65 102.424 -17.404 -4.696 1.00 0.00 H new ATOM 0 HB3 ASP A 65 104.172 -17.312 -4.608 1.00 0.00 H new ATOM 1123 N TYR A 66 105.656 -18.881 -2.768 1.00 0.00 N ATOM 1124 CA TYR A 66 106.852 -19.686 -2.545 1.00 0.00 C ATOM 1125 C TYR A 66 106.823 -20.323 -1.159 1.00 0.00 C ATOM 1126 O TYR A 66 107.192 -21.483 -0.989 1.00 0.00 O ATOM 1127 CB TYR A 66 108.104 -18.822 -2.694 1.00 0.00 C ATOM 1128 CG TYR A 66 109.332 -19.661 -2.432 1.00 0.00 C ATOM 1129 CD1 TYR A 66 110.150 -19.389 -1.329 1.00 0.00 C ATOM 1130 CD2 TYR A 66 109.655 -20.711 -3.301 1.00 0.00 C ATOM 1131 CE1 TYR A 66 111.291 -20.166 -1.095 1.00 0.00 C ATOM 1132 CE2 TYR A 66 110.795 -21.487 -3.067 1.00 0.00 C ATOM 1133 CZ TYR A 66 111.613 -21.216 -1.964 1.00 0.00 C ATOM 1134 OH TYR A 66 112.737 -21.982 -1.734 1.00 0.00 O ATOM 0 H TYR A 66 105.829 -17.883 -2.885 1.00 0.00 H new ATOM 0 HA TYR A 66 106.874 -20.480 -3.292 1.00 0.00 H new ATOM 0 HB2 TYR A 66 108.148 -18.398 -3.697 1.00 0.00 H new ATOM 0 HB3 TYR A 66 108.067 -17.986 -1.996 1.00 0.00 H new ATOM 0 HD1 TYR A 66 109.901 -18.580 -0.659 1.00 0.00 H new ATOM 0 HD2 TYR A 66 109.024 -20.921 -4.152 1.00 0.00 H new ATOM 0 HE1 TYR A 66 111.923 -19.956 -0.245 1.00 0.00 H new ATOM 0 HE2 TYR A 66 111.044 -22.296 -3.738 1.00 0.00 H new ATOM 0 HH TYR A 66 112.813 -22.668 -2.430 1.00 0.00 H new ATOM 1144 N TYR A 67 106.384 -19.554 -0.170 1.00 0.00 N ATOM 1145 CA TYR A 67 106.307 -20.046 1.199 1.00 0.00 C ATOM 1146 C TYR A 67 105.245 -21.137 1.326 1.00 0.00 C ATOM 1147 O TYR A 67 105.408 -22.092 2.085 1.00 0.00 O ATOM 1148 CB TYR A 67 105.983 -18.893 2.157 1.00 0.00 C ATOM 1149 CG TYR A 67 105.873 -19.419 3.569 1.00 0.00 C ATOM 1150 CD1 TYR A 67 106.993 -19.979 4.196 1.00 0.00 C ATOM 1151 CD2 TYR A 67 104.652 -19.348 4.249 1.00 0.00 C ATOM 1152 CE1 TYR A 67 106.891 -20.468 5.503 1.00 0.00 C ATOM 1153 CE2 TYR A 67 104.550 -19.839 5.556 1.00 0.00 C ATOM 1154 CZ TYR A 67 105.669 -20.399 6.184 1.00 0.00 C ATOM 1155 OH TYR A 67 105.569 -20.881 7.472 1.00 0.00 O ATOM 0 H TYR A 67 106.077 -18.589 -0.290 1.00 0.00 H new ATOM 0 HA TYR A 67 107.275 -20.472 1.462 1.00 0.00 H new ATOM 0 HB2 TYR A 67 106.761 -18.132 2.102 1.00 0.00 H new ATOM 0 HB3 TYR A 67 105.049 -18.415 1.863 1.00 0.00 H new ATOM 0 HD1 TYR A 67 107.935 -20.033 3.671 1.00 0.00 H new ATOM 0 HD2 TYR A 67 103.789 -18.915 3.766 1.00 0.00 H new ATOM 0 HE1 TYR A 67 107.755 -20.899 5.987 1.00 0.00 H new ATOM 0 HE2 TYR A 67 103.607 -19.786 6.080 1.00 0.00 H new ATOM 0 HH TYR A 67 104.653 -20.755 7.798 1.00 0.00 H new ATOM 1165 N ASN A 68 104.152 -20.976 0.587 1.00 0.00 N ATOM 1166 CA ASN A 68 103.056 -21.938 0.625 1.00 0.00 C ATOM 1167 C ASN A 68 103.507 -23.311 0.131 1.00 0.00 C ATOM 1168 O ASN A 68 103.107 -24.337 0.679 1.00 0.00 O ATOM 1169 CB ASN A 68 101.895 -21.441 -0.241 1.00 0.00 C ATOM 1170 CG ASN A 68 101.098 -20.379 0.511 1.00 0.00 C ATOM 1171 OD1 ASN A 68 101.649 -19.756 1.517 1.00 0.00 O flip ATOM 1172 ND2 ASN A 68 99.946 -20.107 0.170 1.00 0.00 N flip ATOM 0 H ASN A 68 104.002 -20.189 -0.045 1.00 0.00 H new ATOM 0 HA ASN A 68 102.730 -22.034 1.661 1.00 0.00 H new ATOM 0 HB2 ASN A 68 102.278 -21.027 -1.174 1.00 0.00 H new ATOM 0 HB3 ASN A 68 101.245 -22.275 -0.506 1.00 0.00 H new ATOM 0 HD21 ASN A 68 99.518 -20.596 -0.617 1.00 0.00 H new ATOM 0 HD22 ASN A 68 99.420 -19.393 0.674 1.00 0.00 H new ATOM 1179 N THR A 69 104.330 -23.324 -0.914 1.00 0.00 N ATOM 1180 CA THR A 69 104.813 -24.586 -1.475 1.00 0.00 C ATOM 1181 C THR A 69 105.369 -25.484 -0.382 1.00 0.00 C ATOM 1182 O THR A 69 105.482 -26.697 -0.563 1.00 0.00 O ATOM 1183 CB THR A 69 105.890 -24.316 -2.532 1.00 0.00 C ATOM 1184 OG1 THR A 69 106.969 -23.613 -1.935 1.00 0.00 O ATOM 1185 CG2 THR A 69 105.299 -23.474 -3.663 1.00 0.00 C ATOM 0 H THR A 69 104.674 -22.488 -1.386 1.00 0.00 H new ATOM 0 HA THR A 69 103.972 -25.096 -1.945 1.00 0.00 H new ATOM 0 HB THR A 69 106.248 -25.263 -2.935 1.00 0.00 H new ATOM 0 HG1 THR A 69 106.738 -22.664 -1.858 1.00 0.00 H new ATOM 0 HG21 THR A 69 106.066 -23.283 -4.413 1.00 0.00 H new ATOM 0 HG22 THR A 69 104.469 -24.012 -4.121 1.00 0.00 H new ATOM 0 HG23 THR A 69 104.940 -22.526 -3.262 1.00 0.00 H new ATOM 1193 N PHE A 70 105.713 -24.888 0.748 1.00 0.00 N ATOM 1194 CA PHE A 70 106.252 -25.656 1.860 1.00 0.00 C ATOM 1195 C PHE A 70 105.127 -26.143 2.769 1.00 0.00 C ATOM 1196 O PHE A 70 105.371 -26.568 3.900 1.00 0.00 O ATOM 1197 CB PHE A 70 107.232 -24.801 2.667 1.00 0.00 C ATOM 1198 CG PHE A 70 108.451 -24.504 1.827 1.00 0.00 C ATOM 1199 CD1 PHE A 70 108.476 -23.368 1.008 1.00 0.00 C ATOM 1200 CD2 PHE A 70 109.554 -25.363 1.866 1.00 0.00 C ATOM 1201 CE1 PHE A 70 109.606 -23.092 0.230 1.00 0.00 C ATOM 1202 CE2 PHE A 70 110.685 -25.087 1.087 1.00 0.00 C ATOM 1203 CZ PHE A 70 110.710 -23.951 0.269 1.00 0.00 C ATOM 0 H PHE A 70 105.630 -23.886 0.920 1.00 0.00 H new ATOM 0 HA PHE A 70 106.779 -26.521 1.456 1.00 0.00 H new ATOM 0 HB2 PHE A 70 106.753 -23.871 2.973 1.00 0.00 H new ATOM 0 HB3 PHE A 70 107.523 -25.324 3.578 1.00 0.00 H new ATOM 0 HD1 PHE A 70 107.624 -22.705 0.977 1.00 0.00 H new ATOM 0 HD2 PHE A 70 109.534 -26.239 2.497 1.00 0.00 H new ATOM 0 HE1 PHE A 70 109.626 -22.216 -0.401 1.00 0.00 H new ATOM 0 HE2 PHE A 70 111.537 -25.750 1.117 1.00 0.00 H new ATOM 0 HZ PHE A 70 111.582 -23.738 -0.332 1.00 0.00 H new ATOM 1213 N GLY A 71 103.896 -26.066 2.274 1.00 0.00 N ATOM 1214 CA GLY A 71 102.739 -26.489 3.055 1.00 0.00 C ATOM 1215 C GLY A 71 102.875 -26.058 4.513 1.00 0.00 C ATOM 1216 O GLY A 71 102.863 -26.890 5.419 1.00 0.00 O ATOM 0 H GLY A 71 103.674 -25.717 1.342 1.00 0.00 H new ATOM 0 HA2 GLY A 71 101.832 -26.061 2.629 1.00 0.00 H new ATOM 0 HA3 GLY A 71 102.636 -27.573 3.001 1.00 0.00 H new ATOM 1220 N PRO A 72 103.007 -24.777 4.750 1.00 0.00 N ATOM 1221 CA PRO A 72 103.151 -24.220 6.124 1.00 0.00 C ATOM 1222 C PRO A 72 101.818 -24.143 6.866 1.00 0.00 C ATOM 1223 O PRO A 72 100.823 -23.658 6.327 1.00 0.00 O ATOM 1224 CB PRO A 72 103.719 -22.824 5.885 1.00 0.00 C ATOM 1225 CG PRO A 72 103.252 -22.432 4.520 1.00 0.00 C ATOM 1226 CD PRO A 72 103.030 -23.720 3.731 1.00 0.00 C ATOM 0 HA PRO A 72 103.784 -24.847 6.753 1.00 0.00 H new ATOM 0 HB2 PRO A 72 103.363 -22.121 6.638 1.00 0.00 H new ATOM 0 HB3 PRO A 72 104.808 -22.828 5.941 1.00 0.00 H new ATOM 0 HG2 PRO A 72 102.330 -21.854 4.580 1.00 0.00 H new ATOM 0 HG3 PRO A 72 103.992 -21.801 4.027 1.00 0.00 H new ATOM 0 HD2 PRO A 72 102.095 -23.687 3.172 1.00 0.00 H new ATOM 0 HD3 PRO A 72 103.828 -23.884 3.007 1.00 0.00 H new ATOM 1234 N GLU A 73 101.812 -24.618 8.105 1.00 0.00 N ATOM 1235 CA GLU A 73 100.604 -24.594 8.921 1.00 0.00 C ATOM 1236 C GLU A 73 100.467 -23.273 9.667 1.00 0.00 C ATOM 1237 O GLU A 73 99.363 -22.756 9.838 1.00 0.00 O ATOM 1238 CB GLU A 73 100.637 -25.747 9.923 1.00 0.00 C ATOM 1239 CG GLU A 73 100.423 -27.071 9.185 1.00 0.00 C ATOM 1240 CD GLU A 73 98.992 -27.152 8.660 1.00 0.00 C ATOM 1241 OE1 GLU A 73 98.765 -27.899 7.722 1.00 0.00 O ATOM 1242 OE2 GLU A 73 98.144 -26.471 9.212 1.00 0.00 O ATOM 0 H GLU A 73 102.627 -25.023 8.566 1.00 0.00 H new ATOM 0 HA GLU A 73 99.745 -24.703 8.259 1.00 0.00 H new ATOM 0 HB2 GLU A 73 101.593 -25.761 10.447 1.00 0.00 H new ATOM 0 HB3 GLU A 73 99.862 -25.610 10.677 1.00 0.00 H new ATOM 0 HG2 GLU A 73 101.128 -27.153 8.357 1.00 0.00 H new ATOM 0 HG3 GLU A 73 100.620 -27.907 9.856 1.00 0.00 H new ATOM 1249 N LYS A 74 101.592 -22.745 10.127 1.00 0.00 N ATOM 1250 CA LYS A 74 101.584 -21.495 10.878 1.00 0.00 C ATOM 1251 C LYS A 74 101.020 -20.351 10.044 1.00 0.00 C ATOM 1252 O LYS A 74 100.190 -19.587 10.536 1.00 0.00 O ATOM 1253 CB LYS A 74 103.009 -21.136 11.319 1.00 0.00 C ATOM 1254 CG LYS A 74 103.407 -21.945 12.563 1.00 0.00 C ATOM 1255 CD LYS A 74 103.289 -23.435 12.257 1.00 0.00 C ATOM 1256 CE LYS A 74 103.988 -24.239 13.352 1.00 0.00 C ATOM 1257 NZ LYS A 74 103.690 -25.686 13.168 1.00 0.00 N ATOM 0 H LYS A 74 102.516 -23.157 9.996 1.00 0.00 H new ATOM 0 HA LYS A 74 100.948 -21.639 11.751 1.00 0.00 H new ATOM 0 HB2 LYS A 74 103.709 -21.337 10.508 1.00 0.00 H new ATOM 0 HB3 LYS A 74 103.071 -20.070 11.536 1.00 0.00 H new ATOM 0 HG2 LYS A 74 104.428 -21.703 12.857 1.00 0.00 H new ATOM 0 HG3 LYS A 74 102.763 -21.683 13.402 1.00 0.00 H new ATOM 0 HD2 LYS A 74 102.239 -23.722 12.195 1.00 0.00 H new ATOM 0 HD3 LYS A 74 103.737 -23.654 11.288 1.00 0.00 H new ATOM 0 HE2 LYS A 74 105.064 -24.070 13.312 1.00 0.00 H new ATOM 0 HE3 LYS A 74 103.649 -23.908 14.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 104.165 -26.236 13.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 102.663 -25.839 13.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 104.034 -25.996 12.237 1.00 0.00 H new ATOM 1271 N VAL A 75 101.469 -20.245 8.790 1.00 0.00 N ATOM 1272 CA VAL A 75 101.002 -19.184 7.893 1.00 0.00 C ATOM 1273 C VAL A 75 100.612 -17.937 8.678 1.00 0.00 C ATOM 1274 O VAL A 75 99.437 -17.739 8.985 1.00 0.00 O ATOM 1275 CB VAL A 75 99.812 -19.678 7.079 1.00 0.00 C ATOM 1276 CG1 VAL A 75 99.187 -18.513 6.310 1.00 0.00 C ATOM 1277 CG2 VAL A 75 100.309 -20.728 6.089 1.00 0.00 C ATOM 0 H VAL A 75 102.152 -20.878 8.374 1.00 0.00 H new ATOM 0 HA VAL A 75 101.818 -18.923 7.219 1.00 0.00 H new ATOM 0 HB VAL A 75 99.061 -20.106 7.743 1.00 0.00 H new ATOM 0 HG11 VAL A 75 98.337 -18.874 5.731 1.00 0.00 H new ATOM 0 HG12 VAL A 75 98.850 -17.752 7.014 1.00 0.00 H new ATOM 0 HG13 VAL A 75 99.928 -18.082 5.637 1.00 0.00 H new ATOM 0 HG21 VAL A 75 99.471 -21.095 5.496 1.00 0.00 H new ATOM 0 HG22 VAL A 75 101.053 -20.282 5.429 1.00 0.00 H new ATOM 0 HG23 VAL A 75 100.758 -21.558 6.634 1.00 0.00 H new ATOM 1287 N PRO A 76 101.562 -17.104 9.027 1.00 0.00 N ATOM 1288 CA PRO A 76 101.273 -15.874 9.811 1.00 0.00 C ATOM 1289 C PRO A 76 100.202 -15.022 9.143 1.00 0.00 C ATOM 1290 O PRO A 76 100.316 -14.655 7.975 1.00 0.00 O ATOM 1291 CB PRO A 76 102.619 -15.142 9.858 1.00 0.00 C ATOM 1292 CG PRO A 76 103.650 -16.197 9.626 1.00 0.00 C ATOM 1293 CD PRO A 76 102.996 -17.235 8.722 1.00 0.00 C ATOM 0 HA PRO A 76 100.881 -16.097 10.803 1.00 0.00 H new ATOM 0 HB2 PRO A 76 102.672 -14.366 9.094 1.00 0.00 H new ATOM 0 HB3 PRO A 76 102.767 -14.652 10.821 1.00 0.00 H new ATOM 0 HG2 PRO A 76 104.539 -15.776 9.157 1.00 0.00 H new ATOM 0 HG3 PRO A 76 103.968 -16.645 10.567 1.00 0.00 H new ATOM 0 HD2 PRO A 76 103.202 -17.037 7.670 1.00 0.00 H new ATOM 0 HD3 PRO A 76 103.361 -18.240 8.935 1.00 0.00 H new ATOM 1301 N VAL A 77 99.167 -14.713 9.907 1.00 0.00 N ATOM 1302 CA VAL A 77 98.064 -13.895 9.408 1.00 0.00 C ATOM 1303 C VAL A 77 98.414 -12.418 9.502 1.00 0.00 C ATOM 1304 O VAL A 77 97.773 -11.580 8.878 1.00 0.00 O ATOM 1305 CB VAL A 77 96.789 -14.182 10.203 1.00 0.00 C ATOM 1306 CG1 VAL A 77 95.637 -13.354 9.630 1.00 0.00 C ATOM 1307 CG2 VAL A 77 96.433 -15.684 10.112 1.00 0.00 C ATOM 0 H VAL A 77 99.064 -15.014 10.876 1.00 0.00 H new ATOM 0 HA VAL A 77 97.892 -14.149 8.362 1.00 0.00 H new ATOM 0 HB VAL A 77 96.953 -13.916 11.247 1.00 0.00 H new ATOM 0 HG11 VAL A 77 94.727 -13.557 10.195 1.00 0.00 H new ATOM 0 HG12 VAL A 77 95.880 -12.294 9.702 1.00 0.00 H new ATOM 0 HG13 VAL A 77 95.482 -13.621 8.585 1.00 0.00 H new ATOM 0 HG21 VAL A 77 95.524 -15.878 10.681 1.00 0.00 H new ATOM 0 HG22 VAL A 77 96.273 -15.958 9.069 1.00 0.00 H new ATOM 0 HG23 VAL A 77 97.251 -16.277 10.521 1.00 0.00 H new ATOM 1317 N THR A 78 99.426 -12.101 10.297 1.00 0.00 N ATOM 1318 CA THR A 78 99.835 -10.713 10.475 1.00 0.00 C ATOM 1319 C THR A 78 99.934 -10.020 9.120 1.00 0.00 C ATOM 1320 O THR A 78 99.706 -8.817 9.006 1.00 0.00 O ATOM 1321 CB THR A 78 101.190 -10.653 11.187 1.00 0.00 C ATOM 1322 OG1 THR A 78 102.172 -11.292 10.385 1.00 0.00 O ATOM 1323 CG2 THR A 78 101.097 -11.363 12.541 1.00 0.00 C ATOM 0 H THR A 78 99.976 -12.779 10.825 1.00 0.00 H new ATOM 0 HA THR A 78 99.089 -10.202 11.084 1.00 0.00 H new ATOM 0 HB THR A 78 101.467 -9.611 11.346 1.00 0.00 H new ATOM 0 HG1 THR A 78 103.040 -11.253 10.838 1.00 0.00 H new ATOM 0 HG21 THR A 78 102.063 -11.317 13.043 1.00 0.00 H new ATOM 0 HG22 THR A 78 100.344 -10.873 13.158 1.00 0.00 H new ATOM 0 HG23 THR A 78 100.817 -12.405 12.387 1.00 0.00 H new ATOM 1331 N ALA A 79 100.277 -10.790 8.096 1.00 0.00 N ATOM 1332 CA ALA A 79 100.405 -10.249 6.750 1.00 0.00 C ATOM 1333 C ALA A 79 99.096 -9.603 6.297 1.00 0.00 C ATOM 1334 O ALA A 79 99.097 -8.647 5.519 1.00 0.00 O ATOM 1335 CB ALA A 79 100.769 -11.377 5.788 1.00 0.00 C ATOM 0 H ALA A 79 100.471 -11.789 8.171 1.00 0.00 H new ATOM 0 HA ALA A 79 101.186 -9.488 6.753 1.00 0.00 H new ATOM 0 HB1 ALA A 79 100.866 -10.977 4.779 1.00 0.00 H new ATOM 0 HB2 ALA A 79 101.715 -11.825 6.093 1.00 0.00 H new ATOM 0 HB3 ALA A 79 99.986 -12.136 5.804 1.00 0.00 H new ATOM 1341 N PHE A 80 97.984 -10.126 6.799 1.00 0.00 N ATOM 1342 CA PHE A 80 96.668 -9.596 6.455 1.00 0.00 C ATOM 1343 C PHE A 80 96.440 -8.230 7.101 1.00 0.00 C ATOM 1344 O PHE A 80 95.828 -7.347 6.501 1.00 0.00 O ATOM 1345 CB PHE A 80 95.577 -10.573 6.911 1.00 0.00 C ATOM 1346 CG PHE A 80 95.512 -11.742 5.957 1.00 0.00 C ATOM 1347 CD1 PHE A 80 94.439 -11.858 5.065 1.00 0.00 C ATOM 1348 CD2 PHE A 80 96.525 -12.708 5.962 1.00 0.00 C ATOM 1349 CE1 PHE A 80 94.379 -12.941 4.179 1.00 0.00 C ATOM 1350 CE2 PHE A 80 96.465 -13.791 5.077 1.00 0.00 C ATOM 1351 CZ PHE A 80 95.391 -13.907 4.185 1.00 0.00 C ATOM 0 H PHE A 80 97.966 -10.915 7.445 1.00 0.00 H new ATOM 0 HA PHE A 80 96.622 -9.476 5.373 1.00 0.00 H new ATOM 0 HB2 PHE A 80 95.789 -10.926 7.920 1.00 0.00 H new ATOM 0 HB3 PHE A 80 94.613 -10.066 6.947 1.00 0.00 H new ATOM 0 HD1 PHE A 80 93.658 -11.112 5.060 1.00 0.00 H new ATOM 0 HD2 PHE A 80 97.353 -12.618 6.649 1.00 0.00 H new ATOM 0 HE1 PHE A 80 93.551 -13.030 3.491 1.00 0.00 H new ATOM 0 HE2 PHE A 80 97.246 -14.537 5.082 1.00 0.00 H new ATOM 0 HZ PHE A 80 95.344 -14.742 3.502 1.00 0.00 H new ATOM 1361 N SER A 81 96.934 -8.064 8.326 1.00 0.00 N ATOM 1362 CA SER A 81 96.774 -6.800 9.037 1.00 0.00 C ATOM 1363 C SER A 81 97.543 -5.682 8.343 1.00 0.00 C ATOM 1364 O SER A 81 97.042 -4.566 8.203 1.00 0.00 O ATOM 1365 CB SER A 81 97.269 -6.942 10.477 1.00 0.00 C ATOM 1366 OG SER A 81 98.637 -7.326 10.469 1.00 0.00 O ATOM 0 H SER A 81 97.443 -8.782 8.842 1.00 0.00 H new ATOM 0 HA SER A 81 95.714 -6.545 9.038 1.00 0.00 H new ATOM 0 HB2 SER A 81 97.148 -5.999 11.010 1.00 0.00 H new ATOM 0 HB3 SER A 81 96.674 -7.686 11.006 1.00 0.00 H new ATOM 0 HG SER A 81 98.841 -7.793 9.632 1.00 0.00 H new ATOM 1372 N TYR A 82 98.759 -5.989 7.906 1.00 0.00 N ATOM 1373 CA TYR A 82 99.580 -4.998 7.224 1.00 0.00 C ATOM 1374 C TYR A 82 98.900 -4.521 5.949 1.00 0.00 C ATOM 1375 O TYR A 82 98.857 -3.327 5.674 1.00 0.00 O ATOM 1376 CB TYR A 82 100.948 -5.593 6.872 1.00 0.00 C ATOM 1377 CG TYR A 82 101.910 -5.381 8.016 1.00 0.00 C ATOM 1378 CD1 TYR A 82 102.086 -6.376 8.985 1.00 0.00 C ATOM 1379 CD2 TYR A 82 102.624 -4.181 8.106 1.00 0.00 C ATOM 1380 CE1 TYR A 82 102.977 -6.170 10.046 1.00 0.00 C ATOM 1381 CE2 TYR A 82 103.514 -3.974 9.167 1.00 0.00 C ATOM 1382 CZ TYR A 82 103.691 -4.969 10.137 1.00 0.00 C ATOM 1383 OH TYR A 82 104.568 -4.766 11.182 1.00 0.00 O ATOM 0 H TYR A 82 99.194 -6.906 8.010 1.00 0.00 H new ATOM 0 HA TYR A 82 99.712 -4.151 7.897 1.00 0.00 H new ATOM 0 HB2 TYR A 82 100.848 -6.658 6.662 1.00 0.00 H new ATOM 0 HB3 TYR A 82 101.336 -5.125 5.967 1.00 0.00 H new ATOM 0 HD1 TYR A 82 101.535 -7.302 8.914 1.00 0.00 H new ATOM 0 HD2 TYR A 82 102.489 -3.415 7.357 1.00 0.00 H new ATOM 0 HE1 TYR A 82 103.113 -6.937 10.794 1.00 0.00 H new ATOM 0 HE2 TYR A 82 104.064 -3.047 9.237 1.00 0.00 H new ATOM 0 HH TYR A 82 105.355 -5.338 11.065 1.00 0.00 H new ATOM 1393 N TRP A 83 98.384 -5.461 5.170 1.00 0.00 N ATOM 1394 CA TRP A 83 97.731 -5.121 3.911 1.00 0.00 C ATOM 1395 C TRP A 83 96.595 -4.130 4.136 1.00 0.00 C ATOM 1396 O TRP A 83 96.483 -3.129 3.426 1.00 0.00 O ATOM 1397 CB TRP A 83 97.185 -6.393 3.247 1.00 0.00 C ATOM 1398 CG TRP A 83 98.320 -7.249 2.763 1.00 0.00 C ATOM 1399 CD1 TRP A 83 99.620 -7.087 3.105 1.00 0.00 C ATOM 1400 CD2 TRP A 83 98.275 -8.386 1.854 1.00 0.00 C ATOM 1401 NE1 TRP A 83 100.374 -8.054 2.463 1.00 0.00 N ATOM 1402 CE2 TRP A 83 99.590 -8.878 1.680 1.00 0.00 C ATOM 1403 CE3 TRP A 83 97.229 -9.032 1.170 1.00 0.00 C ATOM 1404 CZ2 TRP A 83 99.859 -9.972 0.857 1.00 0.00 C ATOM 1405 CZ3 TRP A 83 97.496 -10.134 0.341 1.00 0.00 C ATOM 1406 CH2 TRP A 83 98.809 -10.603 0.185 1.00 0.00 C ATOM 0 H TRP A 83 98.404 -6.458 5.384 1.00 0.00 H new ATOM 0 HA TRP A 83 98.469 -4.656 3.257 1.00 0.00 H new ATOM 0 HB2 TRP A 83 96.576 -6.951 3.958 1.00 0.00 H new ATOM 0 HB3 TRP A 83 96.537 -6.127 2.412 1.00 0.00 H new ATOM 0 HD1 TRP A 83 100.005 -6.328 3.770 1.00 0.00 H new ATOM 0 HE1 TRP A 83 101.385 -8.147 2.557 1.00 0.00 H new ATOM 0 HE3 TRP A 83 96.215 -8.679 1.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 100.872 -10.329 0.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 96.686 -10.623 -0.179 1.00 0.00 H new ATOM 0 HH2 TRP A 83 99.008 -11.451 -0.454 1.00 0.00 H new ATOM 1417 N ASN A 84 95.755 -4.416 5.118 1.00 0.00 N ATOM 1418 CA ASN A 84 94.629 -3.544 5.422 1.00 0.00 C ATOM 1419 C ASN A 84 95.087 -2.179 5.922 1.00 0.00 C ATOM 1420 O ASN A 84 94.532 -1.143 5.531 1.00 0.00 O ATOM 1421 CB ASN A 84 93.745 -4.197 6.488 1.00 0.00 C ATOM 1422 CG ASN A 84 92.827 -5.236 5.853 1.00 0.00 C ATOM 1423 OD1 ASN A 84 92.196 -4.947 4.747 1.00 0.00 O flip ATOM 1424 ND2 ASN A 84 92.675 -6.336 6.383 1.00 0.00 N flip ATOM 0 H ASN A 84 95.829 -5.239 5.715 1.00 0.00 H new ATOM 0 HA ASN A 84 94.067 -3.397 4.499 1.00 0.00 H new ATOM 0 HB2 ASN A 84 94.368 -4.669 7.248 1.00 0.00 H new ATOM 0 HB3 ASN A 84 93.150 -3.436 6.992 1.00 0.00 H new ATOM 0 HD21 ASN A 84 93.169 -6.559 7.247 1.00 0.00 H new ATOM 0 HD22 ASN A 84 92.055 -7.025 5.958 1.00 0.00 H new ATOM 1431 N LEU A 85 96.099 -2.168 6.783 1.00 0.00 N ATOM 1432 CA LEU A 85 96.596 -0.919 7.320 1.00 0.00 C ATOM 1433 C LEU A 85 97.273 -0.091 6.233 1.00 0.00 C ATOM 1434 O LEU A 85 96.822 1.003 5.902 1.00 0.00 O ATOM 1435 CB LEU A 85 97.586 -1.200 8.450 1.00 0.00 C ATOM 1436 CG LEU A 85 98.118 0.120 9.009 1.00 0.00 C ATOM 1437 CD1 LEU A 85 96.963 0.985 9.523 1.00 0.00 C ATOM 1438 CD2 LEU A 85 99.066 -0.174 10.166 1.00 0.00 C ATOM 0 H LEU A 85 96.582 -3.002 7.117 1.00 0.00 H new ATOM 0 HA LEU A 85 95.751 -0.350 7.709 1.00 0.00 H new ATOM 0 HB2 LEU A 85 97.098 -1.771 9.240 1.00 0.00 H new ATOM 0 HB3 LEU A 85 98.411 -1.809 8.080 1.00 0.00 H new ATOM 0 HG LEU A 85 98.640 0.655 8.216 1.00 0.00 H new ATOM 0 HD11 LEU A 85 97.357 1.921 9.918 1.00 0.00 H new ATOM 0 HD12 LEU A 85 96.275 1.197 8.704 1.00 0.00 H new ATOM 0 HD13 LEU A 85 96.433 0.453 10.313 1.00 0.00 H new ATOM 0 HD21 LEU A 85 99.449 0.763 10.570 1.00 0.00 H new ATOM 0 HD22 LEU A 85 98.530 -0.713 10.947 1.00 0.00 H new ATOM 0 HD23 LEU A 85 99.897 -0.782 9.810 1.00 0.00 H new ATOM 1450 N ILE A 86 98.357 -0.625 5.678 1.00 0.00 N ATOM 1451 CA ILE A 86 99.083 0.075 4.628 1.00 0.00 C ATOM 1452 C ILE A 86 98.126 0.531 3.539 1.00 0.00 C ATOM 1453 O ILE A 86 98.300 1.606 2.951 1.00 0.00 O ATOM 1454 CB ILE A 86 100.172 -0.839 4.045 1.00 0.00 C ATOM 1455 CG1 ILE A 86 101.530 -0.436 4.628 1.00 0.00 C ATOM 1456 CG2 ILE A 86 100.228 -0.726 2.521 1.00 0.00 C ATOM 1457 CD1 ILE A 86 102.518 -1.576 4.425 1.00 0.00 C ATOM 0 H ILE A 86 98.748 -1.531 5.936 1.00 0.00 H new ATOM 0 HA ILE A 86 99.560 0.957 5.054 1.00 0.00 H new ATOM 0 HB ILE A 86 99.935 -1.870 4.307 1.00 0.00 H new ATOM 0 HG12 ILE A 86 101.895 0.469 4.141 1.00 0.00 H new ATOM 0 HG13 ILE A 86 101.431 -0.209 5.689 1.00 0.00 H new ATOM 0 HG21 ILE A 86 101.007 -1.384 2.136 1.00 0.00 H new ATOM 0 HG22 ILE A 86 99.266 -1.017 2.099 1.00 0.00 H new ATOM 0 HG23 ILE A 86 100.450 0.304 2.240 1.00 0.00 H new ATOM 0 HD11 ILE A 86 103.487 -1.296 4.838 1.00 0.00 H new ATOM 0 HD12 ILE A 86 102.152 -2.469 4.932 1.00 0.00 H new ATOM 0 HD13 ILE A 86 102.623 -1.781 3.360 1.00 0.00 H new ATOM 1469 N LYS A 87 97.132 -0.293 3.257 1.00 0.00 N ATOM 1470 CA LYS A 87 96.177 0.031 2.216 1.00 0.00 C ATOM 1471 C LYS A 87 95.545 1.385 2.465 1.00 0.00 C ATOM 1472 O LYS A 87 95.430 2.202 1.550 1.00 0.00 O ATOM 1473 CB LYS A 87 95.081 -1.041 2.155 1.00 0.00 C ATOM 1474 CG LYS A 87 93.806 -0.446 1.547 1.00 0.00 C ATOM 1475 CD LYS A 87 92.840 -1.570 1.179 1.00 0.00 C ATOM 1476 CE LYS A 87 91.602 -0.972 0.511 1.00 0.00 C ATOM 1477 NZ LYS A 87 90.669 -2.066 0.124 1.00 0.00 N ATOM 0 H LYS A 87 96.967 -1.182 3.729 1.00 0.00 H new ATOM 0 HA LYS A 87 96.710 0.063 1.266 1.00 0.00 H new ATOM 0 HB2 LYS A 87 95.420 -1.887 1.557 1.00 0.00 H new ATOM 0 HB3 LYS A 87 94.875 -1.421 3.156 1.00 0.00 H new ATOM 0 HG2 LYS A 87 93.335 0.233 2.258 1.00 0.00 H new ATOM 0 HG3 LYS A 87 94.053 0.140 0.661 1.00 0.00 H new ATOM 0 HD2 LYS A 87 93.325 -2.277 0.506 1.00 0.00 H new ATOM 0 HD3 LYS A 87 92.553 -2.126 2.072 1.00 0.00 H new ATOM 0 HE2 LYS A 87 91.106 -0.281 1.193 1.00 0.00 H new ATOM 0 HE3 LYS A 87 91.892 -0.399 -0.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 89.827 -1.659 -0.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 91.145 -2.709 -0.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 90.383 -2.595 0.973 1.00 0.00 H new ATOM 1491 N GLU A 88 95.124 1.630 3.698 1.00 0.00 N ATOM 1492 CA GLU A 88 94.495 2.897 4.026 1.00 0.00 C ATOM 1493 C GLU A 88 95.520 3.996 4.270 1.00 0.00 C ATOM 1494 O GLU A 88 95.185 5.181 4.251 1.00 0.00 O ATOM 1495 CB GLU A 88 93.609 2.705 5.264 1.00 0.00 C ATOM 1496 CG GLU A 88 94.364 3.092 6.542 1.00 0.00 C ATOM 1497 CD GLU A 88 94.339 4.607 6.741 1.00 0.00 C ATOM 1498 OE1 GLU A 88 95.337 5.147 7.189 1.00 0.00 O ATOM 1499 OE2 GLU A 88 93.317 5.203 6.442 1.00 0.00 O ATOM 0 H GLU A 88 95.206 0.976 4.477 1.00 0.00 H new ATOM 0 HA GLU A 88 93.889 3.213 3.177 1.00 0.00 H new ATOM 0 HB2 GLU A 88 92.709 3.313 5.170 1.00 0.00 H new ATOM 0 HB3 GLU A 88 93.286 1.666 5.328 1.00 0.00 H new ATOM 0 HG2 GLU A 88 93.911 2.599 7.402 1.00 0.00 H new ATOM 0 HG3 GLU A 88 95.395 2.744 6.482 1.00 0.00 H new ATOM 1506 N LEU A 89 96.752 3.599 4.545 1.00 0.00 N ATOM 1507 CA LEU A 89 97.795 4.562 4.841 1.00 0.00 C ATOM 1508 C LEU A 89 98.014 5.497 3.664 1.00 0.00 C ATOM 1509 O LEU A 89 98.134 6.707 3.838 1.00 0.00 O ATOM 1510 CB LEU A 89 99.084 3.814 5.149 1.00 0.00 C ATOM 1511 CG LEU A 89 99.963 4.606 6.128 1.00 0.00 C ATOM 1512 CD1 LEU A 89 100.211 6.017 5.600 1.00 0.00 C ATOM 1513 CD2 LEU A 89 99.277 4.687 7.500 1.00 0.00 C ATOM 0 H LEU A 89 97.051 2.624 4.569 1.00 0.00 H new ATOM 0 HA LEU A 89 97.494 5.160 5.701 1.00 0.00 H new ATOM 0 HB2 LEU A 89 98.849 2.838 5.574 1.00 0.00 H new ATOM 0 HB3 LEU A 89 99.634 3.635 4.225 1.00 0.00 H new ATOM 0 HG LEU A 89 100.919 4.092 6.229 1.00 0.00 H new ATOM 0 HD11 LEU A 89 100.835 6.565 6.306 1.00 0.00 H new ATOM 0 HD12 LEU A 89 100.716 5.961 4.636 1.00 0.00 H new ATOM 0 HD13 LEU A 89 99.259 6.534 5.481 1.00 0.00 H new ATOM 0 HD21 LEU A 89 99.907 5.250 8.189 1.00 0.00 H new ATOM 0 HD22 LEU A 89 98.314 5.188 7.396 1.00 0.00 H new ATOM 0 HD23 LEU A 89 99.123 3.681 7.890 1.00 0.00 H new ATOM 1525 N ILE A 90 98.068 4.936 2.465 1.00 0.00 N ATOM 1526 CA ILE A 90 98.282 5.760 1.287 1.00 0.00 C ATOM 1527 C ILE A 90 97.119 6.736 1.123 1.00 0.00 C ATOM 1528 O ILE A 90 97.318 7.906 0.795 1.00 0.00 O ATOM 1529 CB ILE A 90 98.393 4.887 0.035 1.00 0.00 C ATOM 1530 CG1 ILE A 90 99.663 4.037 0.150 1.00 0.00 C ATOM 1531 CG2 ILE A 90 98.460 5.785 -1.219 1.00 0.00 C ATOM 1532 CD1 ILE A 90 99.929 3.312 -1.175 1.00 0.00 C ATOM 0 H ILE A 90 97.969 3.937 2.284 1.00 0.00 H new ATOM 0 HA ILE A 90 99.212 6.314 1.415 1.00 0.00 H new ATOM 0 HB ILE A 90 97.523 4.237 -0.053 1.00 0.00 H new ATOM 0 HG12 ILE A 90 100.513 4.670 0.405 1.00 0.00 H new ATOM 0 HG13 ILE A 90 99.553 3.311 0.956 1.00 0.00 H new ATOM 0 HG21 ILE A 90 98.539 5.161 -2.109 1.00 0.00 H new ATOM 0 HG22 ILE A 90 97.557 6.392 -1.280 1.00 0.00 H new ATOM 0 HG23 ILE A 90 99.331 6.436 -1.154 1.00 0.00 H new ATOM 0 HD11 ILE A 90 100.833 2.710 -1.085 1.00 0.00 H new ATOM 0 HD12 ILE A 90 99.084 2.665 -1.412 1.00 0.00 H new ATOM 0 HD13 ILE A 90 100.059 4.045 -1.971 1.00 0.00 H new ATOM 1544 N ASP A 91 95.903 6.237 1.326 1.00 0.00 N ATOM 1545 CA ASP A 91 94.712 7.066 1.170 1.00 0.00 C ATOM 1546 C ASP A 91 94.924 8.431 1.809 1.00 0.00 C ATOM 1547 O ASP A 91 94.340 9.426 1.375 1.00 0.00 O ATOM 1548 CB ASP A 91 93.508 6.383 1.824 1.00 0.00 C ATOM 1549 CG ASP A 91 92.210 7.003 1.312 1.00 0.00 C ATOM 1550 OD1 ASP A 91 91.161 6.620 1.800 1.00 0.00 O ATOM 1551 OD2 ASP A 91 92.286 7.845 0.432 1.00 0.00 O ATOM 0 H ASP A 91 95.717 5.271 1.597 1.00 0.00 H new ATOM 0 HA ASP A 91 94.523 7.197 0.104 1.00 0.00 H new ATOM 0 HB2 ASP A 91 93.522 5.316 1.604 1.00 0.00 H new ATOM 0 HB3 ASP A 91 93.566 6.486 2.908 1.00 0.00 H new ATOM 1556 N LYS A 92 95.757 8.479 2.840 1.00 0.00 N ATOM 1557 CA LYS A 92 96.028 9.735 3.524 1.00 0.00 C ATOM 1558 C LYS A 92 96.714 10.711 2.570 1.00 0.00 C ATOM 1559 O LYS A 92 97.663 10.348 1.876 1.00 0.00 O ATOM 1560 CB LYS A 92 96.929 9.481 4.736 1.00 0.00 C ATOM 1561 CG LYS A 92 96.654 10.527 5.819 1.00 0.00 C ATOM 1562 CD LYS A 92 97.459 10.185 7.072 1.00 0.00 C ATOM 1563 CE LYS A 92 97.212 11.251 8.139 1.00 0.00 C ATOM 1564 NZ LYS A 92 95.862 11.046 8.739 1.00 0.00 N ATOM 0 H LYS A 92 96.252 7.671 3.218 1.00 0.00 H new ATOM 0 HA LYS A 92 95.085 10.167 3.860 1.00 0.00 H new ATOM 0 HB2 LYS A 92 96.749 8.481 5.130 1.00 0.00 H new ATOM 0 HB3 LYS A 92 97.976 9.522 4.436 1.00 0.00 H new ATOM 0 HG2 LYS A 92 96.925 11.519 5.459 1.00 0.00 H new ATOM 0 HG3 LYS A 92 95.590 10.553 6.053 1.00 0.00 H new ATOM 0 HD2 LYS A 92 97.169 9.204 7.448 1.00 0.00 H new ATOM 0 HD3 LYS A 92 98.521 10.133 6.833 1.00 0.00 H new ATOM 0 HE2 LYS A 92 97.978 11.193 8.912 1.00 0.00 H new ATOM 0 HE3 LYS A 92 97.279 12.246 7.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 95.757 11.656 9.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 95.131 11.288 8.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 95.755 10.051 9.022 1.00 0.00 H new