USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 857 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 57 LYS NZ :NH3+ -159:sc= 2.39 (180deg=-0.0956) USER MOD Set 1.2: A 110 HIS : no HE2:sc= 1.81 K(o=4.2,f=-11!) USER MOD Set 2.1: A 53 HIS : no HE2:sc= 0.651 K(o=0.65,f=-1.9!) USER MOD Set 2.2: A 56 LYS NZ :NH3+ -168:sc= 0 (180deg=0) USER MOD Set 3.1: A 31 HIS : no HE2:sc= 1.05 K(o=-0.22,f=-9.3!) USER MOD Set 3.2: A 34 GLN : amide:sc= -1.27 K(o=-0.22,f=-1.9) USER MOD Single : A 8 TYR OH : rot 180:sc= 0.0523 USER MOD Single : A 9 SER OG : rot 180:sc= 0.00107 USER MOD Single : A 10 LYS NZ :NH3+ -150:sc= 2.18 (180deg=0.798) USER MOD Single : A 12 HIS : no HE2:sc= 0.734 K(o=0.73,f=-2.3!) USER MOD Single : A 13 MET CE :methyl -156:sc= -0.0193 (180deg=-0.577) USER MOD Single : A 14 LYS NZ :NH3+ 148:sc= 1.21 (180deg=0.326) USER MOD Single : A 15 LYS NZ :NH3+ -116:sc= -0.946 (180deg=-2.05!) USER MOD Single : A 16 MET CE :methyl 176:sc= 0 (180deg=-0.0206) USER MOD Single : A 17 MET CE :methyl -172:sc= 0 (180deg=-0.0821) USER MOD Single : A 18 LYS NZ :NH3+ -111:sc= 0.0886 (180deg=-0.817!) USER MOD Single : A 24 HIS : no HE2:sc= 0.811 K(o=0.81,f=-2.5!) USER MOD Single : A 28 GLN : amide:sc=-0.00735 K(o=-0.0074,f=-2!) USER MOD Single : A 29 SER OG : rot -34:sc= 1.12 USER MOD Single : A 38 HIS : no HD1:sc= -0.603 K(o=0.13,f=-7.8!) USER MOD Single : A 39 LYS NZ :NH3+ -135:sc= 0.531 (180deg=-0.82!) USER MOD Single : A 41 GLN : amide:sc=-0.00806 X(o=-0.0081,f=0) USER MOD Single : A 44 HIS : no HE2:sc= -0.324 K(o=-0.32,f=-2.9!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.232 USER MOD Single : A 51 LYS NZ :NH3+ -164:sc= 1.05 (180deg=0.865) USER MOD Single : A 63 ASN : amide:sc= -0.0128 X(o=-0.013,f=-0.0011) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0.388 K(o=0.39,f=-5.2!) USER MOD Single : A 70 GLN : amide:sc= 0.891 K(o=0.89,f=-0.61) USER MOD Single : A 73 LYS NZ :NH3+ -119:sc= 0.241 (180deg=-0.707) USER MOD Single : A 79 THR OG1 : rot 97:sc= 1.17 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 88 TYR OH : rot 20:sc= 0.828 USER MOD Single : A 95 GLN : amide:sc= -0.602 X(o=-0.6,f=-0.83) USER MOD Single : A 102 LYS NZ :NH3+ -149:sc= 1.8 (180deg=1.54) USER MOD Single : A 105 LYS NZ :NH3+ 152:sc= 1.19 (180deg=0.542) USER MOD Single : A 109 SER OG : rot 43:sc= 1.2 USER MOD Single : A 111 SER OG : rot -88:sc= 1.1 USER MOD Single : A 112 SER OG : rot 43:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 84 N ARG A 7 5.468 29.152 4.220 1.00 0.00 N ATOM 85 CA ARG A 7 4.306 29.986 4.531 1.00 0.00 C ATOM 86 C ARG A 7 3.145 29.126 4.987 1.00 0.00 C ATOM 87 O ARG A 7 2.448 29.460 5.934 1.00 0.00 O ATOM 88 CB ARG A 7 3.912 30.771 3.280 1.00 0.00 C ATOM 89 CG ARG A 7 3.009 31.972 3.537 1.00 0.00 C ATOM 90 CD ARG A 7 2.487 32.532 2.217 1.00 0.00 C ATOM 91 NE ARG A 7 3.555 32.618 1.205 1.00 0.00 N ATOM 92 CZ ARG A 7 3.422 32.315 -0.082 1.00 0.00 C ATOM 93 NH1 ARG A 7 2.290 31.928 -0.607 1.00 0.00 N ATOM 94 NH2 ARG A 7 4.460 32.387 -0.854 1.00 0.00 N ATOM 0 HA ARG A 7 4.560 30.675 5.337 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.819 31.116 2.784 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.407 30.096 2.589 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.173 31.678 4.172 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.561 32.743 4.074 1.00 0.00 H new ATOM 0 HD2 ARG A 7 1.682 31.898 1.845 1.00 0.00 H new ATOM 0 HD3 ARG A 7 2.062 33.522 2.384 1.00 0.00 H new ATOM 0 HE ARG A 7 4.472 32.936 1.518 1.00 0.00 H new ATOM 0 HH11 ARG A 7 1.458 31.847 -0.023 1.00 0.00 H new ATOM 0 HH12 ARG A 7 2.238 31.706 -1.601 1.00 0.00 H new ATOM 0 HH21 ARG A 7 5.361 32.673 -0.471 1.00 0.00 H new ATOM 0 HH22 ARG A 7 4.376 32.158 -1.844 1.00 0.00 H new ATOM 108 N TYR A 8 2.956 28.010 4.306 1.00 0.00 N ATOM 109 CA TYR A 8 1.885 27.082 4.631 1.00 0.00 C ATOM 110 C TYR A 8 2.442 25.812 5.270 1.00 0.00 C ATOM 111 O TYR A 8 1.879 24.721 5.123 1.00 0.00 O ATOM 112 CB TYR A 8 1.101 26.758 3.368 1.00 0.00 C ATOM 113 CG TYR A 8 0.628 27.985 2.628 1.00 0.00 C ATOM 114 CD1 TYR A 8 1.062 28.247 1.315 1.00 0.00 C ATOM 115 CD2 TYR A 8 -0.272 28.891 3.231 1.00 0.00 C ATOM 116 CE1 TYR A 8 0.608 29.390 0.615 1.00 0.00 C ATOM 117 CE2 TYR A 8 -0.723 30.041 2.533 1.00 0.00 C ATOM 118 CZ TYR A 8 -0.276 30.277 1.230 1.00 0.00 C ATOM 119 OH TYR A 8 -0.695 31.390 0.549 1.00 0.00 O ATOM 0 H TYR A 8 3.535 27.722 3.518 1.00 0.00 H new ATOM 0 HA TYR A 8 1.216 27.546 5.356 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.726 26.160 2.704 1.00 0.00 H new ATOM 0 HB3 TYR A 8 0.238 26.146 3.631 1.00 0.00 H new ATOM 0 HD1 TYR A 8 1.750 27.567 0.836 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -0.621 28.706 4.236 1.00 0.00 H new ATOM 0 HE1 TYR A 8 0.945 29.575 -0.394 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.408 30.730 3.006 1.00 0.00 H new ATOM 0 HH TYR A 8 -1.309 31.906 1.112 1.00 0.00 H new ATOM 129 N SER A 9 3.547 25.963 5.993 1.00 0.00 N ATOM 130 CA SER A 9 4.220 24.830 6.642 1.00 0.00 C ATOM 131 C SER A 9 3.268 24.017 7.506 1.00 0.00 C ATOM 132 O SER A 9 3.414 22.813 7.614 1.00 0.00 O ATOM 133 CB SER A 9 5.380 25.335 7.493 1.00 0.00 C ATOM 134 OG SER A 9 4.969 26.446 8.273 1.00 0.00 O ATOM 0 H SER A 9 4.002 26.863 6.148 1.00 0.00 H new ATOM 0 HA SER A 9 4.592 24.176 5.854 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.737 24.537 8.144 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.214 25.620 6.851 1.00 0.00 H new ATOM 0 HG SER A 9 5.721 26.760 8.816 1.00 0.00 H new ATOM 140 N LYS A 10 2.284 24.683 8.090 1.00 0.00 N ATOM 141 CA LYS A 10 1.236 24.027 8.881 1.00 0.00 C ATOM 142 C LYS A 10 0.655 22.782 8.181 1.00 0.00 C ATOM 143 O LYS A 10 0.864 21.647 8.629 1.00 0.00 O ATOM 144 CB LYS A 10 0.115 25.046 9.211 1.00 0.00 C ATOM 145 CG LYS A 10 -0.268 26.040 8.055 1.00 0.00 C ATOM 146 CD LYS A 10 -1.712 25.866 7.587 1.00 0.00 C ATOM 147 CE LYS A 10 -1.847 26.209 6.094 1.00 0.00 C ATOM 148 NZ LYS A 10 -3.198 25.843 5.544 1.00 0.00 N ATOM 0 H LYS A 10 2.183 25.696 8.033 1.00 0.00 H new ATOM 0 HA LYS A 10 1.693 23.675 9.806 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.779 24.493 9.500 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.424 25.629 10.079 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.122 27.064 8.398 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.405 25.887 7.211 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.034 24.839 7.759 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.369 26.508 8.173 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.676 27.276 5.952 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.074 25.685 5.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.109 25.603 4.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.574 25.024 6.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.847 26.649 5.652 1.00 0.00 H new ATOM 162 N GLU A 11 -0.064 22.981 7.088 1.00 0.00 N ATOM 163 CA GLU A 11 -0.695 21.867 6.398 1.00 0.00 C ATOM 164 C GLU A 11 0.326 21.099 5.583 1.00 0.00 C ATOM 165 O GLU A 11 0.163 19.913 5.393 1.00 0.00 O ATOM 166 CB GLU A 11 -1.820 22.331 5.479 1.00 0.00 C ATOM 167 CG GLU A 11 -3.182 21.706 5.774 1.00 0.00 C ATOM 168 CD GLU A 11 -3.873 22.330 6.978 1.00 0.00 C ATOM 169 OE1 GLU A 11 -4.012 23.571 7.012 1.00 0.00 O ATOM 170 OE2 GLU A 11 -4.287 21.581 7.890 1.00 0.00 O ATOM 0 H GLU A 11 -0.224 23.894 6.663 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.120 21.219 7.164 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.909 23.415 5.554 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.546 22.104 4.449 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.822 21.813 4.898 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.056 20.637 5.948 1.00 0.00 H new ATOM 177 N HIS A 12 1.382 21.752 5.109 1.00 0.00 N ATOM 178 CA HIS A 12 2.398 21.033 4.333 1.00 0.00 C ATOM 179 C HIS A 12 3.038 19.927 5.177 1.00 0.00 C ATOM 180 O HIS A 12 3.159 18.793 4.727 1.00 0.00 O ATOM 181 CB HIS A 12 3.485 21.983 3.819 1.00 0.00 C ATOM 182 CG HIS A 12 3.152 22.639 2.514 1.00 0.00 C ATOM 183 ND1 HIS A 12 2.055 23.431 2.296 1.00 0.00 N ATOM 184 CD2 HIS A 12 3.805 22.609 1.319 1.00 0.00 C ATOM 185 CE1 HIS A 12 2.085 23.852 1.038 1.00 0.00 C ATOM 186 NE2 HIS A 12 3.132 23.383 0.391 1.00 0.00 N ATOM 0 H HIS A 12 1.559 22.748 5.240 1.00 0.00 H new ATOM 0 HA HIS A 12 1.897 20.586 3.474 1.00 0.00 H new ATOM 0 HB2 HIS A 12 3.662 22.755 4.568 1.00 0.00 H new ATOM 0 HB3 HIS A 12 4.416 21.427 3.708 1.00 0.00 H new ATOM 0 HD1 HIS A 12 1.337 23.658 2.984 1.00 0.00 H new ATOM 0 HD2 HIS A 12 4.715 22.061 1.125 1.00 0.00 H new ATOM 0 HE1 HIS A 12 1.342 24.500 0.598 1.00 0.00 H new ATOM 194 N MET A 13 3.438 20.238 6.404 1.00 0.00 N ATOM 195 CA MET A 13 4.041 19.225 7.271 1.00 0.00 C ATOM 196 C MET A 13 2.978 18.238 7.727 1.00 0.00 C ATOM 197 O MET A 13 3.226 17.037 7.765 1.00 0.00 O ATOM 198 CB MET A 13 4.700 19.852 8.500 1.00 0.00 C ATOM 199 CG MET A 13 5.898 20.738 8.170 1.00 0.00 C ATOM 200 SD MET A 13 6.746 21.324 9.660 1.00 0.00 S ATOM 201 CE MET A 13 5.505 22.420 10.409 1.00 0.00 C ATOM 0 H MET A 13 3.359 21.166 6.819 1.00 0.00 H new ATOM 0 HA MET A 13 4.810 18.713 6.693 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.958 20.444 9.036 1.00 0.00 H new ATOM 0 HB3 MET A 13 5.022 19.058 9.174 1.00 0.00 H new ATOM 0 HG2 MET A 13 6.600 20.181 7.550 1.00 0.00 H new ATOM 0 HG3 MET A 13 5.564 21.594 7.583 1.00 0.00 H new ATOM 0 HE1 MET A 13 6.002 23.149 11.049 1.00 0.00 H new ATOM 0 HE2 MET A 13 4.958 22.941 9.623 1.00 0.00 H new ATOM 0 HE3 MET A 13 4.810 21.829 11.005 1.00 0.00 H new ATOM 211 N LYS A 14 1.792 18.739 8.060 1.00 0.00 N ATOM 212 CA LYS A 14 0.691 17.865 8.487 1.00 0.00 C ATOM 213 C LYS A 14 0.395 16.819 7.417 1.00 0.00 C ATOM 214 O LYS A 14 0.291 15.629 7.715 1.00 0.00 O ATOM 215 CB LYS A 14 -0.551 18.715 8.743 1.00 0.00 C ATOM 216 CG LYS A 14 -1.815 17.951 9.098 1.00 0.00 C ATOM 217 CD LYS A 14 -2.954 18.944 9.149 1.00 0.00 C ATOM 218 CE LYS A 14 -4.311 18.285 9.283 1.00 0.00 C ATOM 219 NZ LYS A 14 -5.375 19.350 9.230 1.00 0.00 N ATOM 0 H LYS A 14 1.565 19.733 8.045 1.00 0.00 H new ATOM 0 HA LYS A 14 0.978 17.348 9.403 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.331 19.411 9.552 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.748 19.313 7.853 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.015 17.177 8.357 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.702 17.450 10.059 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.801 19.621 9.990 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.939 19.551 8.244 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.460 17.562 8.481 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.373 17.736 10.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.233 18.962 8.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.595 19.669 10.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.032 20.156 8.669 1.00 0.00 H new ATOM 233 N LYS A 15 0.272 17.264 6.176 1.00 0.00 N ATOM 234 CA LYS A 15 -0.007 16.367 5.065 1.00 0.00 C ATOM 235 C LYS A 15 1.171 15.436 4.843 1.00 0.00 C ATOM 236 O LYS A 15 0.977 14.244 4.736 1.00 0.00 O ATOM 237 CB LYS A 15 -0.337 17.158 3.791 1.00 0.00 C ATOM 238 CG LYS A 15 -0.553 16.253 2.612 1.00 0.00 C ATOM 239 CD LYS A 15 -1.328 16.876 1.466 1.00 0.00 C ATOM 240 CE LYS A 15 -1.398 15.888 0.294 1.00 0.00 C ATOM 241 NZ LYS A 15 -2.054 14.584 0.682 1.00 0.00 N ATOM 0 H LYS A 15 0.361 18.245 5.912 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.882 15.765 5.312 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.232 17.758 3.957 1.00 0.00 H new ATOM 0 HB3 LYS A 15 0.475 17.851 3.573 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.418 15.926 2.240 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.083 15.362 2.948 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.334 17.138 1.794 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.846 17.800 1.147 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.953 16.341 -0.528 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.391 15.690 -0.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.364 13.810 0.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.392 14.644 1.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.859 14.399 0.050 1.00 0.00 H new ATOM 255 N MET A 16 2.387 15.965 4.805 1.00 0.00 N ATOM 256 CA MET A 16 3.573 15.122 4.615 1.00 0.00 C ATOM 257 C MET A 16 3.617 13.997 5.646 1.00 0.00 C ATOM 258 O MET A 16 3.849 12.839 5.298 1.00 0.00 O ATOM 259 CB MET A 16 4.850 15.965 4.726 1.00 0.00 C ATOM 260 CG MET A 16 6.138 15.147 4.641 1.00 0.00 C ATOM 261 SD MET A 16 7.628 16.166 4.745 1.00 0.00 S ATOM 262 CE MET A 16 7.660 16.569 6.518 1.00 0.00 C ATOM 0 H MET A 16 2.583 16.961 4.901 1.00 0.00 H new ATOM 0 HA MET A 16 3.513 14.683 3.619 1.00 0.00 H new ATOM 0 HB2 MET A 16 4.852 16.712 3.932 1.00 0.00 H new ATOM 0 HB3 MET A 16 4.836 16.506 5.672 1.00 0.00 H new ATOM 0 HG2 MET A 16 6.150 14.412 5.446 1.00 0.00 H new ATOM 0 HG3 MET A 16 6.148 14.592 3.703 1.00 0.00 H new ATOM 0 HE1 MET A 16 8.563 17.135 6.746 1.00 0.00 H new ATOM 0 HE2 MET A 16 6.784 17.166 6.771 1.00 0.00 H new ATOM 0 HE3 MET A 16 7.652 15.648 7.101 1.00 0.00 H new ATOM 272 N MET A 17 3.386 14.322 6.910 1.00 0.00 N ATOM 273 CA MET A 17 3.425 13.300 7.953 1.00 0.00 C ATOM 274 C MET A 17 2.328 12.263 7.746 1.00 0.00 C ATOM 275 O MET A 17 2.567 11.080 7.931 1.00 0.00 O ATOM 276 CB MET A 17 3.294 13.928 9.342 1.00 0.00 C ATOM 277 CG MET A 17 4.528 14.725 9.760 1.00 0.00 C ATOM 278 SD MET A 17 4.409 15.369 11.448 1.00 0.00 S ATOM 279 CE MET A 17 3.188 16.674 11.269 1.00 0.00 C ATOM 0 H MET A 17 3.173 15.265 7.237 1.00 0.00 H new ATOM 0 HA MET A 17 4.392 12.801 7.886 1.00 0.00 H new ATOM 0 HB2 MET A 17 2.424 14.584 9.357 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.112 13.141 10.074 1.00 0.00 H new ATOM 0 HG2 MET A 17 5.410 14.089 9.680 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.670 15.555 9.068 1.00 0.00 H new ATOM 0 HE1 MET A 17 3.125 17.243 12.196 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.481 17.337 10.455 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.216 16.234 11.047 1.00 0.00 H new ATOM 289 N LYS A 18 1.133 12.686 7.354 1.00 0.00 N ATOM 290 CA LYS A 18 0.046 11.729 7.132 1.00 0.00 C ATOM 291 C LYS A 18 0.247 10.904 5.870 1.00 0.00 C ATOM 292 O LYS A 18 -0.065 9.720 5.852 1.00 0.00 O ATOM 293 CB LYS A 18 -1.308 12.441 7.058 1.00 0.00 C ATOM 294 CG LYS A 18 -2.177 12.227 8.301 1.00 0.00 C ATOM 295 CD LYS A 18 -2.604 10.756 8.452 1.00 0.00 C ATOM 296 CE LYS A 18 -3.444 10.554 9.704 1.00 0.00 C ATOM 297 NZ LYS A 18 -3.688 9.093 9.946 1.00 0.00 N ATOM 0 H LYS A 18 0.890 13.662 7.185 1.00 0.00 H new ATOM 0 HA LYS A 18 0.058 11.052 7.986 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.141 13.509 6.920 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.849 12.087 6.180 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.626 12.539 9.188 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.063 12.858 8.238 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.173 10.448 7.575 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.720 10.120 8.498 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.936 10.991 10.564 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.396 11.075 9.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.693 8.877 9.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.105 8.531 9.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.436 8.857 10.927 1.00 0.00 H new ATOM 311 N ASP A 19 0.774 11.515 4.826 1.00 0.00 N ATOM 312 CA ASP A 19 1.019 10.805 3.573 1.00 0.00 C ATOM 313 C ASP A 19 2.095 9.749 3.801 1.00 0.00 C ATOM 314 O ASP A 19 2.012 8.640 3.285 1.00 0.00 O ATOM 315 CB ASP A 19 1.495 11.760 2.477 1.00 0.00 C ATOM 316 CG ASP A 19 0.446 12.794 2.080 1.00 0.00 C ATOM 317 OD1 ASP A 19 0.853 13.759 1.421 1.00 0.00 O ATOM 318 OD2 ASP A 19 -0.763 12.669 2.395 1.00 0.00 O ATOM 0 H ASP A 19 1.042 12.499 4.815 1.00 0.00 H new ATOM 0 HA ASP A 19 0.084 10.345 3.253 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.392 12.276 2.819 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.776 11.181 1.597 1.00 0.00 H new ATOM 323 N LEU A 20 3.113 10.082 4.585 1.00 0.00 N ATOM 324 CA LEU A 20 4.175 9.115 4.861 1.00 0.00 C ATOM 325 C LEU A 20 3.756 8.087 5.902 1.00 0.00 C ATOM 326 O LEU A 20 4.290 6.985 5.926 1.00 0.00 O ATOM 327 CB LEU A 20 5.472 9.811 5.265 1.00 0.00 C ATOM 328 CG LEU A 20 6.096 10.659 4.142 1.00 0.00 C ATOM 329 CD1 LEU A 20 7.387 11.291 4.654 1.00 0.00 C ATOM 330 CD2 LEU A 20 6.384 9.840 2.859 1.00 0.00 C ATOM 0 H LEU A 20 3.228 10.991 5.033 1.00 0.00 H new ATOM 0 HA LEU A 20 4.360 8.575 3.932 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.278 10.451 6.126 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.194 9.059 5.584 1.00 0.00 H new ATOM 0 HG LEU A 20 5.373 11.427 3.869 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.835 11.894 3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.166 11.925 5.513 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.083 10.507 4.951 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.823 10.491 2.103 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.079 9.033 3.091 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.453 9.419 2.479 1.00 0.00 H new ATOM 342 N GLU A 21 2.777 8.418 6.732 1.00 0.00 N ATOM 343 CA GLU A 21 2.185 7.424 7.632 1.00 0.00 C ATOM 344 C GLU A 21 1.512 6.404 6.713 1.00 0.00 C ATOM 345 O GLU A 21 1.531 5.203 6.960 1.00 0.00 O ATOM 346 CB GLU A 21 1.146 8.068 8.560 1.00 0.00 C ATOM 347 CG GLU A 21 0.541 7.122 9.586 1.00 0.00 C ATOM 348 CD GLU A 21 -0.797 7.626 10.097 1.00 0.00 C ATOM 349 OE1 GLU A 21 -1.808 6.903 9.927 1.00 0.00 O ATOM 350 OE2 GLU A 21 -0.870 8.739 10.655 1.00 0.00 O ATOM 0 H GLU A 21 2.376 9.353 6.805 1.00 0.00 H new ATOM 0 HA GLU A 21 2.938 6.970 8.276 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.614 8.901 9.085 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.343 8.485 7.952 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.412 6.136 9.140 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.229 7.005 10.423 1.00 0.00 H new ATOM 357 N GLY A 22 0.935 6.906 5.628 1.00 0.00 N ATOM 358 CA GLY A 22 0.326 6.048 4.632 1.00 0.00 C ATOM 359 C GLY A 22 1.373 5.239 3.892 1.00 0.00 C ATOM 360 O GLY A 22 1.141 4.089 3.589 1.00 0.00 O ATOM 0 H GLY A 22 0.879 7.903 5.420 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.384 5.375 5.113 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.238 6.653 3.923 1.00 0.00 H new ATOM 364 N LEU A 23 2.532 5.818 3.608 1.00 0.00 N ATOM 365 CA LEU A 23 3.607 5.077 2.930 1.00 0.00 C ATOM 366 C LEU A 23 4.092 3.926 3.835 1.00 0.00 C ATOM 367 O LEU A 23 4.313 2.793 3.384 1.00 0.00 O ATOM 368 CB LEU A 23 4.745 6.032 2.551 1.00 0.00 C ATOM 369 CG LEU A 23 5.474 5.691 1.238 1.00 0.00 C ATOM 370 CD1 LEU A 23 6.295 6.884 0.771 1.00 0.00 C ATOM 371 CD2 LEU A 23 6.392 4.477 1.387 1.00 0.00 C ATOM 0 H LEU A 23 2.758 6.787 3.830 1.00 0.00 H new ATOM 0 HA LEU A 23 3.231 4.638 2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.341 7.041 2.472 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.474 6.043 3.361 1.00 0.00 H new ATOM 0 HG LEU A 23 4.709 5.448 0.500 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.806 6.632 -0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.636 7.736 0.603 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.031 7.139 1.533 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.885 4.274 0.436 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.144 4.681 2.149 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.802 3.609 1.682 1.00 0.00 H new ATOM 383 N HIS A 24 4.219 4.198 5.126 1.00 0.00 N ATOM 384 CA HIS A 24 4.554 3.140 6.073 1.00 0.00 C ATOM 385 C HIS A 24 3.404 2.135 6.087 1.00 0.00 C ATOM 386 O HIS A 24 3.618 0.951 6.222 1.00 0.00 O ATOM 387 CB HIS A 24 4.794 3.690 7.476 1.00 0.00 C ATOM 388 CG HIS A 24 5.045 2.622 8.498 1.00 0.00 C ATOM 389 ND1 HIS A 24 6.004 1.640 8.388 1.00 0.00 N ATOM 390 CD2 HIS A 24 4.415 2.366 9.678 1.00 0.00 C ATOM 391 CE1 HIS A 24 5.928 0.865 9.464 1.00 0.00 C ATOM 392 NE2 HIS A 24 4.979 1.263 10.288 1.00 0.00 N ATOM 0 H HIS A 24 4.098 5.123 5.538 1.00 0.00 H new ATOM 0 HA HIS A 24 5.481 2.660 5.759 1.00 0.00 H new ATOM 0 HB2 HIS A 24 5.648 4.367 7.452 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.929 4.278 7.781 1.00 0.00 H new ATOM 0 HD1 HIS A 24 6.659 1.527 7.614 1.00 0.00 H new ATOM 0 HD2 HIS A 24 3.594 2.942 10.078 1.00 0.00 H new ATOM 0 HE1 HIS A 24 6.566 0.012 9.642 1.00 0.00 H new ATOM 400 N ARG A 25 2.174 2.593 5.914 1.00 0.00 N ATOM 401 CA ARG A 25 1.056 1.656 5.817 1.00 0.00 C ATOM 402 C ARG A 25 1.117 0.848 4.521 1.00 0.00 C ATOM 403 O ARG A 25 0.582 -0.233 4.467 1.00 0.00 O ATOM 404 CB ARG A 25 -0.288 2.362 5.951 1.00 0.00 C ATOM 405 CG ARG A 25 -1.430 1.386 6.254 1.00 0.00 C ATOM 406 CD ARG A 25 -2.517 2.027 7.085 1.00 0.00 C ATOM 407 NE ARG A 25 -1.990 2.404 8.409 1.00 0.00 N ATOM 408 CZ ARG A 25 -1.897 3.643 8.878 1.00 0.00 C ATOM 409 NH1 ARG A 25 -2.285 4.688 8.195 1.00 0.00 N ATOM 410 NH2 ARG A 25 -1.403 3.840 10.065 1.00 0.00 N ATOM 0 H ARG A 25 1.924 3.579 5.839 1.00 0.00 H new ATOM 0 HA ARG A 25 1.149 0.963 6.653 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.228 3.105 6.746 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.507 2.899 5.028 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.855 1.024 5.318 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.035 0.518 6.782 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.903 2.909 6.574 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.352 1.336 7.201 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.670 1.650 9.016 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.678 4.570 7.261 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.194 5.622 8.596 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.092 3.047 10.626 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.327 4.787 10.435 1.00 0.00 H new ATOM 424 N ALA A 26 1.789 1.343 3.492 1.00 0.00 N ATOM 425 CA ALA A 26 1.994 0.554 2.277 1.00 0.00 C ATOM 426 C ALA A 26 3.051 -0.524 2.576 1.00 0.00 C ATOM 427 O ALA A 26 2.983 -1.626 2.052 1.00 0.00 O ATOM 428 CB ALA A 26 2.426 1.441 1.105 1.00 0.00 C ATOM 0 H ALA A 26 2.199 2.277 3.469 1.00 0.00 H new ATOM 0 HA ALA A 26 1.057 0.081 1.983 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.570 0.826 0.217 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.655 2.186 0.909 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.361 1.943 1.354 1.00 0.00 H new ATOM 434 N GLU A 27 4.009 -0.218 3.441 1.00 0.00 N ATOM 435 CA GLU A 27 4.984 -1.234 3.897 1.00 0.00 C ATOM 436 C GLU A 27 4.218 -2.314 4.719 1.00 0.00 C ATOM 437 O GLU A 27 4.356 -3.568 4.544 1.00 0.00 O ATOM 438 CB GLU A 27 6.052 -0.529 4.742 1.00 0.00 C ATOM 439 CG GLU A 27 7.267 -1.337 5.108 1.00 0.00 C ATOM 440 CD GLU A 27 8.286 -0.468 5.850 1.00 0.00 C ATOM 441 OE1 GLU A 27 9.503 -0.655 5.642 1.00 0.00 O ATOM 442 OE2 GLU A 27 7.860 0.420 6.639 1.00 0.00 O ATOM 0 H GLU A 27 4.142 0.709 3.844 1.00 0.00 H new ATOM 0 HA GLU A 27 5.477 -1.727 3.059 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.383 0.357 4.201 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.583 -0.183 5.663 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.975 -2.180 5.734 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.721 -1.751 4.207 1.00 0.00 H new ATOM 449 N GLN A 28 3.360 -1.815 5.597 1.00 0.00 N ATOM 450 CA GLN A 28 2.488 -2.683 6.358 1.00 0.00 C ATOM 451 C GLN A 28 1.634 -3.461 5.374 1.00 0.00 C ATOM 452 O GLN A 28 1.368 -4.596 5.611 1.00 0.00 O ATOM 453 CB GLN A 28 1.589 -1.904 7.330 1.00 0.00 C ATOM 454 CG GLN A 28 2.338 -1.227 8.475 1.00 0.00 C ATOM 455 CD GLN A 28 1.404 -0.567 9.475 1.00 0.00 C ATOM 456 OE1 GLN A 28 0.645 0.346 9.151 1.00 0.00 O ATOM 457 NE2 GLN A 28 1.449 -1.031 10.696 1.00 0.00 N ATOM 0 H GLN A 28 3.253 -0.820 5.796 1.00 0.00 H new ATOM 0 HA GLN A 28 3.100 -3.350 6.966 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.042 -1.145 6.771 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.850 -2.587 7.749 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.952 -1.966 8.990 1.00 0.00 H new ATOM 0 HG3 GLN A 28 3.016 -0.477 8.067 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.090 -1.789 10.930 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.843 -0.635 11.415 1.00 0.00 H new ATOM 466 N SER A 29 1.217 -2.865 4.264 1.00 0.00 N ATOM 467 CA SER A 29 0.387 -3.575 3.294 1.00 0.00 C ATOM 468 C SER A 29 1.126 -4.707 2.592 1.00 0.00 C ATOM 469 O SER A 29 0.528 -5.731 2.379 1.00 0.00 O ATOM 470 CB SER A 29 -0.242 -2.632 2.259 1.00 0.00 C ATOM 471 OG SER A 29 0.645 -2.338 1.196 1.00 0.00 O ATOM 0 H SER A 29 1.436 -1.901 4.013 1.00 0.00 H new ATOM 0 HA SER A 29 -0.416 -4.021 3.882 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.148 -3.087 1.859 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.540 -1.705 2.748 1.00 0.00 H new ATOM 0 HG SER A 29 1.564 -2.307 1.536 1.00 0.00 H new ATOM 477 N LEU A 30 2.407 -4.562 2.248 1.00 0.00 N ATOM 478 CA LEU A 30 3.151 -5.688 1.644 1.00 0.00 C ATOM 479 C LEU A 30 3.279 -6.758 2.732 1.00 0.00 C ATOM 480 O LEU A 30 3.019 -7.952 2.476 1.00 0.00 O ATOM 481 CB LEU A 30 4.531 -5.294 1.056 1.00 0.00 C ATOM 482 CG LEU A 30 5.409 -4.182 1.649 1.00 0.00 C ATOM 483 CD1 LEU A 30 6.539 -4.789 2.470 1.00 0.00 C ATOM 484 CD2 LEU A 30 6.013 -3.255 0.589 1.00 0.00 C ATOM 0 H LEU A 30 2.946 -3.705 2.369 1.00 0.00 H new ATOM 0 HA LEU A 30 2.601 -6.059 0.779 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.137 -6.200 1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.358 -5.028 0.013 1.00 0.00 H new ATOM 0 HG LEU A 30 4.752 -3.580 2.276 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.155 -3.992 2.886 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.120 -5.385 3.281 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.151 -5.426 1.831 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.621 -2.493 1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.636 -3.837 -0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.212 -2.775 0.026 1.00 0.00 H new ATOM 496 N HIS A 31 3.642 -6.370 3.953 1.00 0.00 N ATOM 497 CA HIS A 31 3.762 -7.409 4.992 1.00 0.00 C ATOM 498 C HIS A 31 2.407 -8.052 5.361 1.00 0.00 C ATOM 499 O HIS A 31 2.302 -9.278 5.554 1.00 0.00 O ATOM 500 CB HIS A 31 4.496 -6.871 6.208 1.00 0.00 C ATOM 501 CG HIS A 31 5.948 -6.612 5.943 1.00 0.00 C ATOM 502 ND1 HIS A 31 6.728 -7.367 5.094 1.00 0.00 N ATOM 503 CD2 HIS A 31 6.781 -5.651 6.426 1.00 0.00 C ATOM 504 CE1 HIS A 31 7.957 -6.866 5.108 1.00 0.00 C ATOM 505 NE2 HIS A 31 8.050 -5.819 5.904 1.00 0.00 N ATOM 0 H HIS A 31 3.847 -5.414 4.243 1.00 0.00 H new ATOM 0 HA HIS A 31 4.360 -8.217 4.571 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.020 -5.946 6.534 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.402 -7.583 7.028 1.00 0.00 H new ATOM 0 HD1 HIS A 31 6.415 -8.171 4.550 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.493 -4.871 7.116 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.781 -7.267 4.537 1.00 0.00 H new ATOM 513 N ASP A 32 1.366 -7.244 5.419 1.00 0.00 N ATOM 514 CA ASP A 32 0.022 -7.743 5.661 1.00 0.00 C ATOM 515 C ASP A 32 -0.337 -8.635 4.501 1.00 0.00 C ATOM 516 O ASP A 32 -1.001 -9.614 4.693 1.00 0.00 O ATOM 517 CB ASP A 32 -1.024 -6.620 5.742 1.00 0.00 C ATOM 518 CG ASP A 32 -0.989 -5.863 7.066 1.00 0.00 C ATOM 519 OD1 ASP A 32 -1.544 -4.742 7.110 1.00 0.00 O ATOM 520 OD2 ASP A 32 -0.432 -6.382 8.058 1.00 0.00 O ATOM 0 H ASP A 32 1.424 -6.232 5.301 1.00 0.00 H new ATOM 0 HA ASP A 32 0.016 -8.265 6.618 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.859 -5.918 4.925 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.017 -7.046 5.600 1.00 0.00 H new ATOM 525 N LEU A 33 0.094 -8.303 3.291 1.00 0.00 N ATOM 526 CA LEU A 33 -0.218 -9.120 2.121 1.00 0.00 C ATOM 527 C LEU A 33 0.441 -10.487 2.204 1.00 0.00 C ATOM 528 O LEU A 33 -0.231 -11.480 1.932 1.00 0.00 O ATOM 529 CB LEU A 33 0.147 -8.407 0.811 1.00 0.00 C ATOM 530 CG LEU A 33 -1.019 -7.575 0.244 1.00 0.00 C ATOM 531 CD1 LEU A 33 -0.527 -6.490 -0.719 1.00 0.00 C ATOM 532 CD2 LEU A 33 -2.032 -8.495 -0.469 1.00 0.00 C ATOM 0 H LEU A 33 0.659 -7.477 3.092 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.297 -9.272 2.118 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.004 -7.755 0.983 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.453 -9.147 0.072 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.508 -7.079 1.082 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.379 -5.925 -1.097 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.150 -5.817 -0.193 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.001 -6.955 -1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.852 -7.896 -0.866 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.536 -9.018 -1.287 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.425 -9.223 0.241 1.00 0.00 H new ATOM 544 N GLN A 34 1.706 -10.594 2.603 1.00 0.00 N ATOM 545 CA GLN A 34 2.249 -11.963 2.770 1.00 0.00 C ATOM 546 C GLN A 34 1.536 -12.655 3.949 1.00 0.00 C ATOM 547 O GLN A 34 1.238 -13.868 3.890 1.00 0.00 O ATOM 548 CB GLN A 34 3.785 -12.059 2.917 1.00 0.00 C ATOM 549 CG GLN A 34 4.503 -10.904 3.615 1.00 0.00 C ATOM 550 CD GLN A 34 5.245 -9.948 2.681 1.00 0.00 C ATOM 551 OE1 GLN A 34 6.122 -9.204 3.129 1.00 0.00 O ATOM 552 NE2 GLN A 34 4.907 -9.948 1.415 1.00 0.00 N ATOM 0 H GLN A 34 2.342 -9.823 2.806 1.00 0.00 H new ATOM 0 HA GLN A 34 2.042 -12.481 1.833 1.00 0.00 H new ATOM 0 HB2 GLN A 34 4.014 -12.975 3.462 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.212 -12.166 1.920 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.772 -10.334 4.188 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.216 -11.317 4.329 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.177 -10.578 1.082 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.374 -9.318 0.762 1.00 0.00 H new ATOM 561 N GLU A 35 1.220 -11.912 5.006 1.00 0.00 N ATOM 562 CA GLU A 35 0.464 -12.517 6.113 1.00 0.00 C ATOM 563 C GLU A 35 -0.935 -12.946 5.648 1.00 0.00 C ATOM 564 O GLU A 35 -1.481 -13.935 6.121 1.00 0.00 O ATOM 565 CB GLU A 35 0.351 -11.568 7.309 1.00 0.00 C ATOM 566 CG GLU A 35 1.428 -11.805 8.368 1.00 0.00 C ATOM 567 CD GLU A 35 1.329 -13.202 8.985 1.00 0.00 C ATOM 568 OE1 GLU A 35 2.011 -14.129 8.490 1.00 0.00 O ATOM 569 OE2 GLU A 35 0.566 -13.392 9.952 1.00 0.00 O ATOM 0 H GLU A 35 1.461 -10.928 5.125 1.00 0.00 H new ATOM 0 HA GLU A 35 1.017 -13.400 6.435 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.418 -10.539 6.956 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.631 -11.685 7.766 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.413 -11.676 7.919 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.335 -11.055 9.153 1.00 0.00 H new ATOM 576 N ARG A 36 -1.507 -12.217 4.703 1.00 0.00 N ATOM 577 CA ARG A 36 -2.807 -12.553 4.129 1.00 0.00 C ATOM 578 C ARG A 36 -2.678 -13.760 3.227 1.00 0.00 C ATOM 579 O ARG A 36 -3.616 -14.509 3.110 1.00 0.00 O ATOM 580 CB ARG A 36 -3.392 -11.365 3.355 1.00 0.00 C ATOM 581 CG ARG A 36 -4.135 -10.375 4.263 1.00 0.00 C ATOM 582 CD ARG A 36 -3.966 -8.916 3.827 1.00 0.00 C ATOM 583 NE ARG A 36 -4.667 -8.572 2.582 1.00 0.00 N ATOM 584 CZ ARG A 36 -4.677 -7.362 2.032 1.00 0.00 C ATOM 585 NH1 ARG A 36 -4.026 -6.349 2.555 1.00 0.00 N ATOM 586 NH2 ARG A 36 -5.358 -7.161 0.943 1.00 0.00 N ATOM 0 H ARG A 36 -1.086 -11.375 4.310 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.491 -12.791 4.944 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.588 -10.843 2.836 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.076 -11.735 2.591 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.196 -10.625 4.271 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.773 -10.487 5.285 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.327 -8.267 4.625 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.904 -8.707 3.702 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.182 -9.313 2.107 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.489 -6.476 3.413 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.058 -5.435 2.104 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.879 -7.928 0.518 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.372 -6.236 0.514 1.00 0.00 H new ATOM 600 N LEU A 37 -1.522 -13.970 2.612 1.00 0.00 N ATOM 601 CA LEU A 37 -1.280 -15.185 1.823 1.00 0.00 C ATOM 602 C LEU A 37 -1.201 -16.349 2.823 1.00 0.00 C ATOM 603 O LEU A 37 -1.837 -17.417 2.646 1.00 0.00 O ATOM 604 CB LEU A 37 0.031 -15.045 1.028 1.00 0.00 C ATOM 605 CG LEU A 37 0.278 -15.960 -0.189 1.00 0.00 C ATOM 606 CD1 LEU A 37 1.605 -15.561 -0.821 1.00 0.00 C ATOM 607 CD2 LEU A 37 0.320 -17.449 0.144 1.00 0.00 C ATOM 0 H LEU A 37 -0.735 -13.321 2.640 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.076 -15.358 1.099 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.095 -14.014 0.681 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.855 -15.198 1.725 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.566 -15.823 -0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.802 -16.195 -1.685 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.558 -14.519 -1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.406 -15.682 -0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.498 -18.021 -0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.124 -17.640 0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.631 -17.751 0.582 1.00 0.00 H new ATOM 619 N HIS A 38 -0.440 -16.128 3.893 1.00 0.00 N ATOM 620 CA HIS A 38 -0.325 -17.125 4.967 1.00 0.00 C ATOM 621 C HIS A 38 -1.735 -17.479 5.454 1.00 0.00 C ATOM 622 O HIS A 38 -2.077 -18.655 5.529 1.00 0.00 O ATOM 623 CB HIS A 38 0.576 -16.582 6.099 1.00 0.00 C ATOM 624 CG HIS A 38 0.305 -17.171 7.453 1.00 0.00 C ATOM 625 ND1 HIS A 38 0.504 -16.465 8.644 1.00 0.00 N ATOM 626 CD2 HIS A 38 -0.145 -18.394 7.854 1.00 0.00 C ATOM 627 CE1 HIS A 38 0.162 -17.237 9.664 1.00 0.00 C ATOM 628 NE2 HIS A 38 -0.233 -18.397 9.211 1.00 0.00 N ATOM 0 H HIS A 38 0.103 -15.278 4.043 1.00 0.00 H new ATOM 0 HA HIS A 38 0.148 -18.037 4.602 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.617 -16.770 5.838 1.00 0.00 H new ATOM 0 HB3 HIS A 38 0.452 -15.501 6.157 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -0.390 -19.221 7.204 1.00 0.00 H new ATOM 0 HE1 HIS A 38 0.203 -16.953 10.705 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -0.555 -19.178 9.782 1.00 0.00 H new ATOM 636 N LYS A 39 -2.556 -16.479 5.747 1.00 0.00 N ATOM 637 CA LYS A 39 -3.947 -16.703 6.168 1.00 0.00 C ATOM 638 C LYS A 39 -4.761 -17.394 5.077 1.00 0.00 C ATOM 639 O LYS A 39 -5.518 -18.319 5.353 1.00 0.00 O ATOM 640 CB LYS A 39 -4.604 -15.360 6.507 1.00 0.00 C ATOM 641 CG LYS A 39 -6.001 -15.495 7.091 1.00 0.00 C ATOM 642 CD LYS A 39 -6.672 -14.137 7.238 1.00 0.00 C ATOM 643 CE LYS A 39 -8.081 -14.279 7.812 1.00 0.00 C ATOM 644 NZ LYS A 39 -8.066 -14.670 9.260 1.00 0.00 N ATOM 0 H LYS A 39 -2.287 -15.496 5.703 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.929 -17.350 7.045 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.973 -14.825 7.217 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.654 -14.752 5.604 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.606 -16.134 6.448 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.945 -15.983 8.064 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.073 -13.501 7.889 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.720 -13.644 6.267 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.615 -13.336 7.698 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.630 -15.027 7.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.762 -15.426 9.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.118 -15.011 9.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.308 -13.845 9.845 1.00 0.00 H new ATOM 658 N ALA A 40 -4.596 -16.951 3.841 1.00 0.00 N ATOM 659 CA ALA A 40 -5.310 -17.517 2.707 1.00 0.00 C ATOM 660 C ALA A 40 -5.012 -18.990 2.594 1.00 0.00 C ATOM 661 O ALA A 40 -5.895 -19.778 2.286 1.00 0.00 O ATOM 662 CB ALA A 40 -4.925 -16.815 1.428 1.00 0.00 C ATOM 0 H ALA A 40 -3.964 -16.189 3.595 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.379 -17.378 2.869 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.471 -17.255 0.593 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.172 -15.756 1.506 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.854 -16.927 1.260 1.00 0.00 H new ATOM 668 N GLN A 41 -3.788 -19.408 2.853 1.00 0.00 N ATOM 669 CA GLN A 41 -3.590 -20.844 2.836 1.00 0.00 C ATOM 670 C GLN A 41 -4.141 -21.439 4.144 1.00 0.00 C ATOM 671 O GLN A 41 -5.117 -22.199 4.138 1.00 0.00 O ATOM 672 CB GLN A 41 -2.106 -21.185 2.674 1.00 0.00 C ATOM 673 CG GLN A 41 -1.539 -20.778 1.319 1.00 0.00 C ATOM 674 CD GLN A 41 -0.146 -21.322 1.095 1.00 0.00 C ATOM 675 OE1 GLN A 41 0.799 -20.931 1.758 1.00 0.00 O ATOM 676 NE2 GLN A 41 -0.016 -22.237 0.168 1.00 0.00 N ATOM 0 H GLN A 41 -2.975 -18.829 3.062 1.00 0.00 H new ATOM 0 HA GLN A 41 -4.123 -21.272 1.987 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.538 -20.689 3.461 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.970 -22.258 2.810 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.199 -21.137 0.529 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.518 -19.691 1.248 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.830 -22.540 -0.367 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.899 -22.647 -0.019 1.00 0.00 H new ATOM 685 N GLU A 42 -3.535 -21.062 5.258 1.00 0.00 N ATOM 686 CA GLU A 42 -3.781 -21.712 6.545 1.00 0.00 C ATOM 687 C GLU A 42 -5.244 -21.803 6.948 1.00 0.00 C ATOM 688 O GLU A 42 -5.695 -22.852 7.412 1.00 0.00 O ATOM 689 CB GLU A 42 -2.969 -20.999 7.627 1.00 0.00 C ATOM 690 CG GLU A 42 -2.800 -21.794 8.905 1.00 0.00 C ATOM 691 CD GLU A 42 -1.572 -21.340 9.675 1.00 0.00 C ATOM 692 OE1 GLU A 42 -0.486 -21.902 9.437 1.00 0.00 O ATOM 693 OE2 GLU A 42 -1.677 -20.410 10.502 1.00 0.00 O ATOM 0 H GLU A 42 -2.859 -20.299 5.301 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.461 -22.748 6.432 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.983 -20.762 7.228 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.454 -20.052 7.864 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.687 -21.679 9.528 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.713 -22.854 8.668 1.00 0.00 H new ATOM 700 N GLU A 43 -5.991 -20.732 6.768 1.00 0.00 N ATOM 701 CA GLU A 43 -7.403 -20.740 7.105 1.00 0.00 C ATOM 702 C GLU A 43 -8.298 -21.039 5.911 1.00 0.00 C ATOM 703 O GLU A 43 -9.307 -21.723 6.063 1.00 0.00 O ATOM 704 CB GLU A 43 -7.816 -19.392 7.700 1.00 0.00 C ATOM 705 CG GLU A 43 -7.203 -19.116 9.067 1.00 0.00 C ATOM 706 CD GLU A 43 -7.636 -17.771 9.629 1.00 0.00 C ATOM 707 OE1 GLU A 43 -6.772 -17.033 10.150 1.00 0.00 O ATOM 708 OE2 GLU A 43 -8.835 -17.430 9.545 1.00 0.00 O ATOM 0 H GLU A 43 -5.647 -19.848 6.392 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.536 -21.540 7.833 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.525 -18.597 7.013 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.902 -19.359 7.785 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.491 -19.907 9.759 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.116 -19.142 8.988 1.00 0.00 H new ATOM 715 N HIS A 44 -7.972 -20.510 4.733 1.00 0.00 N ATOM 716 CA HIS A 44 -8.957 -20.566 3.634 1.00 0.00 C ATOM 717 C HIS A 44 -8.756 -21.717 2.672 1.00 0.00 C ATOM 718 O HIS A 44 -9.735 -22.263 2.165 1.00 0.00 O ATOM 719 CB HIS A 44 -9.024 -19.238 2.866 1.00 0.00 C ATOM 720 CG HIS A 44 -9.405 -18.068 3.720 1.00 0.00 C ATOM 721 ND1 HIS A 44 -10.695 -17.682 3.969 1.00 0.00 N ATOM 722 CD2 HIS A 44 -8.631 -17.170 4.393 1.00 0.00 C ATOM 723 CE1 HIS A 44 -10.666 -16.608 4.751 1.00 0.00 C ATOM 724 NE2 HIS A 44 -9.432 -16.248 5.041 1.00 0.00 N ATOM 0 H HIS A 44 -7.085 -20.058 4.512 1.00 0.00 H new ATOM 0 HA HIS A 44 -9.912 -20.746 4.128 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -8.054 -19.043 2.410 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -9.745 -19.334 2.054 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -11.535 -18.140 3.615 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -7.551 -17.178 4.417 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -11.547 -16.093 5.106 1.00 0.00 H new ATOM 732 N ARG A 45 -7.495 -22.083 2.445 1.00 0.00 N ATOM 733 CA ARG A 45 -7.096 -23.223 1.597 1.00 0.00 C ATOM 734 C ARG A 45 -7.985 -23.434 0.369 1.00 0.00 C ATOM 735 O ARG A 45 -8.460 -24.534 0.099 1.00 0.00 O ATOM 736 CB ARG A 45 -6.965 -24.503 2.445 1.00 0.00 C ATOM 737 CG ARG A 45 -8.200 -24.900 3.274 1.00 0.00 C ATOM 738 CD ARG A 45 -7.840 -25.985 4.264 1.00 0.00 C ATOM 739 NE ARG A 45 -6.977 -25.465 5.342 1.00 0.00 N ATOM 740 CZ ARG A 45 -6.221 -26.205 6.143 1.00 0.00 C ATOM 741 NH1 ARG A 45 -6.158 -27.511 6.035 1.00 0.00 N ATOM 742 NH2 ARG A 45 -5.511 -25.627 7.065 1.00 0.00 N ATOM 0 H ARG A 45 -6.700 -21.589 2.851 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.118 -22.973 1.185 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.719 -25.331 1.780 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.122 -24.379 3.125 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -8.587 -24.029 3.803 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.993 -25.250 2.613 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.750 -26.404 4.694 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.329 -26.797 3.747 1.00 0.00 H new ATOM 0 HE ARG A 45 -6.960 -24.455 5.483 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.702 -27.990 5.317 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.565 -28.047 6.669 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -5.538 -24.613 7.168 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -4.927 -26.188 7.685 1.00 0.00 H new ATOM 756 N THR A 46 -8.178 -22.347 -0.363 1.00 0.00 N ATOM 757 CA THR A 46 -9.000 -22.334 -1.570 1.00 0.00 C ATOM 758 C THR A 46 -8.364 -23.165 -2.676 1.00 0.00 C ATOM 759 O THR A 46 -7.280 -23.717 -2.503 1.00 0.00 O ATOM 760 CB THR A 46 -9.133 -20.889 -2.099 1.00 0.00 C ATOM 761 OG1 THR A 46 -7.880 -20.467 -2.642 1.00 0.00 O ATOM 762 CG2 THR A 46 -9.493 -19.933 -0.984 1.00 0.00 C ATOM 0 H THR A 46 -7.767 -21.441 -0.137 1.00 0.00 H new ATOM 0 HA THR A 46 -9.973 -22.748 -1.306 1.00 0.00 H new ATOM 0 HB THR A 46 -9.917 -20.880 -2.856 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.962 -19.551 -2.980 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.580 -18.923 -1.385 1.00 0.00 H new ATOM 0 HG22 THR A 46 -10.444 -20.231 -0.542 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.715 -19.955 -0.221 1.00 0.00 H new ATOM 770 N VAL A 47 -9.006 -23.228 -3.833 1.00 0.00 N ATOM 771 CA VAL A 47 -8.450 -23.950 -4.984 1.00 0.00 C ATOM 772 C VAL A 47 -7.080 -23.396 -5.399 1.00 0.00 C ATOM 773 O VAL A 47 -6.328 -24.051 -6.124 1.00 0.00 O ATOM 774 CB VAL A 47 -9.411 -23.889 -6.214 1.00 0.00 C ATOM 775 CG1 VAL A 47 -10.709 -24.636 -5.918 1.00 0.00 C ATOM 776 CG2 VAL A 47 -9.732 -22.428 -6.606 1.00 0.00 C ATOM 0 H VAL A 47 -9.911 -22.791 -4.007 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.332 -24.986 -4.666 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.902 -24.368 -7.051 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -11.366 -24.583 -6.786 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -10.486 -25.679 -5.696 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -11.204 -24.180 -5.060 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.403 -22.421 -7.465 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.211 -21.923 -5.767 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.809 -21.909 -6.862 1.00 0.00 H new ATOM 786 N GLU A 48 -6.744 -22.201 -4.939 1.00 0.00 N ATOM 787 CA GLU A 48 -5.466 -21.583 -5.257 1.00 0.00 C ATOM 788 C GLU A 48 -4.345 -22.051 -4.335 1.00 0.00 C ATOM 789 O GLU A 48 -3.195 -21.760 -4.602 1.00 0.00 O ATOM 790 CB GLU A 48 -5.569 -20.062 -5.146 1.00 0.00 C ATOM 791 CG GLU A 48 -6.613 -19.449 -6.059 1.00 0.00 C ATOM 792 CD GLU A 48 -6.478 -17.939 -6.127 1.00 0.00 C ATOM 793 OE1 GLU A 48 -6.418 -17.294 -5.057 1.00 0.00 O ATOM 794 OE2 GLU A 48 -6.417 -17.398 -7.248 1.00 0.00 O ATOM 0 H GLU A 48 -7.344 -21.635 -4.339 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.226 -21.883 -6.277 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.802 -19.798 -4.115 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.598 -19.624 -5.375 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.514 -19.869 -7.060 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.609 -19.710 -5.701 1.00 0.00 H new ATOM 801 N VAL A 49 -4.663 -22.776 -3.265 1.00 0.00 N ATOM 802 CA VAL A 49 -3.651 -23.198 -2.276 1.00 0.00 C ATOM 803 C VAL A 49 -2.479 -23.962 -2.917 1.00 0.00 C ATOM 804 O VAL A 49 -1.340 -23.861 -2.463 1.00 0.00 O ATOM 805 CB VAL A 49 -4.314 -24.036 -1.112 1.00 0.00 C ATOM 806 CG1 VAL A 49 -4.715 -25.455 -1.569 1.00 0.00 C ATOM 807 CG2 VAL A 49 -3.390 -24.124 0.106 1.00 0.00 C ATOM 0 H VAL A 49 -5.611 -23.088 -3.053 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.230 -22.289 -1.847 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.223 -23.505 -0.829 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.166 -25.992 -0.735 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.433 -25.385 -2.386 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.829 -25.991 -1.909 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.875 -24.707 0.889 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.456 -24.607 -0.180 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.181 -23.121 0.477 1.00 0.00 H new ATOM 817 N GLU A 50 -2.757 -24.702 -3.980 1.00 0.00 N ATOM 818 CA GLU A 50 -1.726 -25.437 -4.715 1.00 0.00 C ATOM 819 C GLU A 50 -1.012 -24.507 -5.703 1.00 0.00 C ATOM 820 O GLU A 50 0.196 -24.591 -5.918 1.00 0.00 O ATOM 821 CB GLU A 50 -2.404 -26.575 -5.490 1.00 0.00 C ATOM 822 CG GLU A 50 -1.468 -27.421 -6.350 1.00 0.00 C ATOM 823 CD GLU A 50 -2.234 -28.390 -7.237 1.00 0.00 C ATOM 824 OE1 GLU A 50 -3.057 -27.918 -8.058 1.00 0.00 O ATOM 825 OE2 GLU A 50 -2.014 -29.613 -7.126 1.00 0.00 O ATOM 0 H GLU A 50 -3.697 -24.813 -4.360 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.991 -25.834 -4.015 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.908 -27.229 -4.778 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.175 -26.148 -6.132 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.855 -26.767 -6.971 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.788 -27.978 -5.706 1.00 0.00 H new ATOM 832 N LYS A 51 -1.785 -23.621 -6.312 1.00 0.00 N ATOM 833 CA LYS A 51 -1.298 -22.745 -7.380 1.00 0.00 C ATOM 834 C LYS A 51 -0.919 -21.353 -6.884 1.00 0.00 C ATOM 835 O LYS A 51 -0.871 -20.413 -7.674 1.00 0.00 O ATOM 836 CB LYS A 51 -2.365 -22.632 -8.483 1.00 0.00 C ATOM 837 CG LYS A 51 -2.604 -23.944 -9.249 1.00 0.00 C ATOM 838 CD LYS A 51 -3.838 -24.715 -8.772 1.00 0.00 C ATOM 839 CE LYS A 51 -5.141 -24.125 -9.296 1.00 0.00 C ATOM 840 NZ LYS A 51 -6.293 -24.957 -8.813 1.00 0.00 N ATOM 0 H LYS A 51 -2.770 -23.485 -6.083 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.389 -23.198 -7.775 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.304 -22.307 -8.036 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.064 -21.859 -9.190 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.713 -23.721 -10.310 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.725 -24.581 -9.146 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.759 -25.753 -9.094 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.859 -24.720 -7.682 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.252 -23.096 -8.953 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.129 -24.098 -10.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.141 -24.734 -9.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.062 -25.965 -8.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.475 -24.749 -7.810 1.00 0.00 H new ATOM 854 N VAL A 52 -0.634 -21.217 -5.596 1.00 0.00 N ATOM 855 CA VAL A 52 -0.249 -19.913 -5.042 1.00 0.00 C ATOM 856 C VAL A 52 0.990 -19.349 -5.722 1.00 0.00 C ATOM 857 O VAL A 52 1.099 -18.140 -5.865 1.00 0.00 O ATOM 858 CB VAL A 52 0.044 -19.955 -3.500 1.00 0.00 C ATOM 859 CG1 VAL A 52 -1.252 -19.972 -2.698 1.00 0.00 C ATOM 860 CG2 VAL A 52 0.919 -21.173 -3.110 1.00 0.00 C ATOM 0 H VAL A 52 -0.659 -21.978 -4.918 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.114 -19.276 -5.227 1.00 0.00 H new ATOM 0 HB VAL A 52 0.600 -19.049 -3.260 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.021 -20.001 -1.633 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.829 -19.074 -2.920 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.835 -20.853 -2.967 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.098 -21.163 -2.035 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.404 -22.094 -3.384 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.872 -21.120 -3.636 1.00 0.00 H new ATOM 870 N HIS A 53 1.919 -20.222 -6.125 1.00 0.00 N ATOM 871 CA HIS A 53 3.193 -19.794 -6.722 1.00 0.00 C ATOM 872 C HIS A 53 3.782 -18.699 -5.838 1.00 0.00 C ATOM 873 O HIS A 53 4.069 -17.608 -6.312 1.00 0.00 O ATOM 874 CB HIS A 53 2.997 -19.259 -8.147 1.00 0.00 C ATOM 875 CG HIS A 53 2.626 -20.309 -9.143 1.00 0.00 C ATOM 876 ND1 HIS A 53 1.341 -20.653 -9.469 1.00 0.00 N ATOM 877 CD2 HIS A 53 3.412 -21.105 -9.918 1.00 0.00 C ATOM 878 CE1 HIS A 53 1.386 -21.597 -10.404 1.00 0.00 C ATOM 879 NE2 HIS A 53 2.629 -21.905 -10.722 1.00 0.00 N ATOM 0 H HIS A 53 1.814 -21.234 -6.049 1.00 0.00 H new ATOM 0 HA HIS A 53 3.864 -20.650 -6.785 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.220 -18.494 -8.134 1.00 0.00 H new ATOM 0 HB3 HIS A 53 3.917 -18.773 -8.472 1.00 0.00 H new ATOM 0 HD1 HIS A 53 0.495 -20.253 -9.064 1.00 0.00 H new ATOM 0 HD2 HIS A 53 4.492 -21.109 -9.905 1.00 0.00 H new ATOM 0 HE1 HIS A 53 0.514 -22.055 -10.848 1.00 0.00 H new ATOM 887 N LEU A 54 3.927 -19.006 -4.553 1.00 0.00 N ATOM 888 CA LEU A 54 4.324 -18.041 -3.518 1.00 0.00 C ATOM 889 C LEU A 54 5.378 -17.001 -3.920 1.00 0.00 C ATOM 890 O LEU A 54 5.236 -15.842 -3.592 1.00 0.00 O ATOM 891 CB LEU A 54 4.783 -18.814 -2.275 1.00 0.00 C ATOM 892 CG LEU A 54 4.915 -17.983 -0.987 1.00 0.00 C ATOM 893 CD1 LEU A 54 4.324 -18.751 0.192 1.00 0.00 C ATOM 894 CD2 LEU A 54 6.380 -17.641 -0.701 1.00 0.00 C ATOM 0 H LEU A 54 3.771 -19.946 -4.189 1.00 0.00 H new ATOM 0 HA LEU A 54 3.435 -17.441 -3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.078 -19.625 -2.092 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.748 -19.273 -2.490 1.00 0.00 H new ATOM 0 HG LEU A 54 4.366 -17.052 -1.126 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.422 -18.156 1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.270 -18.954 0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.858 -19.693 0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.444 -17.053 0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.952 -18.561 -0.583 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.788 -17.065 -1.531 1.00 0.00 H new ATOM 906 N GLU A 55 6.415 -17.400 -4.642 1.00 0.00 N ATOM 907 CA GLU A 55 7.445 -16.455 -5.096 1.00 0.00 C ATOM 908 C GLU A 55 6.850 -15.346 -5.979 1.00 0.00 C ATOM 909 O GLU A 55 7.102 -14.152 -5.786 1.00 0.00 O ATOM 910 CB GLU A 55 8.479 -17.204 -5.937 1.00 0.00 C ATOM 911 CG GLU A 55 9.190 -18.340 -5.215 1.00 0.00 C ATOM 912 CD GLU A 55 10.058 -19.158 -6.164 1.00 0.00 C ATOM 913 OE1 GLU A 55 10.809 -20.029 -5.686 1.00 0.00 O ATOM 914 OE2 GLU A 55 9.976 -18.931 -7.396 1.00 0.00 O ATOM 0 H GLU A 55 6.572 -18.366 -4.929 1.00 0.00 H new ATOM 0 HA GLU A 55 7.893 -16.007 -4.209 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.984 -17.608 -6.820 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.226 -16.492 -6.288 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.809 -17.932 -4.416 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.452 -18.990 -4.745 1.00 0.00 H new ATOM 921 N LYS A 56 6.061 -15.761 -6.961 1.00 0.00 N ATOM 922 CA LYS A 56 5.447 -14.842 -7.920 1.00 0.00 C ATOM 923 C LYS A 56 4.393 -14.017 -7.213 1.00 0.00 C ATOM 924 O LYS A 56 4.223 -12.837 -7.496 1.00 0.00 O ATOM 925 CB LYS A 56 4.771 -15.619 -9.059 1.00 0.00 C ATOM 926 CG LYS A 56 5.683 -16.593 -9.802 1.00 0.00 C ATOM 927 CD LYS A 56 4.903 -17.308 -10.906 1.00 0.00 C ATOM 928 CE LYS A 56 5.667 -18.521 -11.433 1.00 0.00 C ATOM 929 NZ LYS A 56 4.831 -19.311 -12.414 1.00 0.00 N ATOM 0 H LYS A 56 5.827 -16.741 -7.118 1.00 0.00 H new ATOM 0 HA LYS A 56 6.226 -14.202 -8.334 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.927 -16.174 -8.650 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.365 -14.905 -9.776 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.528 -16.055 -10.233 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.093 -17.323 -9.104 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.934 -17.626 -10.521 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.709 -16.614 -11.724 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.587 -18.192 -11.917 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.957 -19.161 -10.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.286 -20.227 -12.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.884 -19.469 -12.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.747 -18.780 -13.304 1.00 0.00 H new ATOM 943 N LYS A 57 3.684 -14.653 -6.293 1.00 0.00 N ATOM 944 CA LYS A 57 2.634 -13.978 -5.544 1.00 0.00 C ATOM 945 C LYS A 57 3.229 -12.886 -4.677 1.00 0.00 C ATOM 946 O LYS A 57 2.735 -11.771 -4.680 1.00 0.00 O ATOM 947 CB LYS A 57 1.865 -14.982 -4.687 1.00 0.00 C ATOM 948 CG LYS A 57 0.361 -15.028 -4.995 1.00 0.00 C ATOM 949 CD LYS A 57 -0.376 -13.726 -4.649 1.00 0.00 C ATOM 950 CE LYS A 57 -0.374 -13.475 -3.151 1.00 0.00 C ATOM 951 NZ LYS A 57 -1.252 -12.339 -2.754 1.00 0.00 N ATOM 0 H LYS A 57 3.816 -15.634 -6.047 1.00 0.00 H new ATOM 0 HA LYS A 57 1.939 -13.522 -6.248 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.289 -15.975 -4.837 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.005 -14.732 -3.635 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.222 -15.244 -6.054 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.090 -15.850 -4.440 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.099 -12.889 -5.161 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.403 -13.779 -5.010 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.701 -14.378 -2.636 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.645 -13.272 -2.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.958 -11.982 -1.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.173 -11.577 -3.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.239 -12.664 -2.705 1.00 0.00 H new ATOM 965 N LEU A 58 4.301 -13.199 -3.961 1.00 0.00 N ATOM 966 CA LEU A 58 4.985 -12.198 -3.145 1.00 0.00 C ATOM 967 C LEU A 58 5.478 -11.099 -4.061 1.00 0.00 C ATOM 968 O LEU A 58 5.323 -9.920 -3.775 1.00 0.00 O ATOM 969 CB LEU A 58 6.184 -12.794 -2.397 1.00 0.00 C ATOM 970 CG LEU A 58 6.006 -12.985 -0.881 1.00 0.00 C ATOM 971 CD1 LEU A 58 4.941 -14.018 -0.562 1.00 0.00 C ATOM 972 CD2 LEU A 58 7.338 -13.416 -0.266 1.00 0.00 C ATOM 0 H LEU A 58 4.715 -14.130 -3.927 1.00 0.00 H new ATOM 0 HA LEU A 58 4.283 -11.817 -2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.419 -13.762 -2.840 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.047 -12.150 -2.563 1.00 0.00 H new ATOM 0 HG LEU A 58 5.683 -12.034 -0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.847 -14.122 0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.987 -13.698 -0.980 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.223 -14.977 -0.996 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.215 -13.552 0.808 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.660 -14.355 -0.716 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.089 -12.648 -0.451 1.00 0.00 H new ATOM 984 N ARG A 59 6.071 -11.485 -5.183 1.00 0.00 N ATOM 985 CA ARG A 59 6.598 -10.494 -6.113 1.00 0.00 C ATOM 986 C ARG A 59 5.533 -9.490 -6.546 1.00 0.00 C ATOM 987 O ARG A 59 5.812 -8.299 -6.568 1.00 0.00 O ATOM 988 CB ARG A 59 7.222 -11.181 -7.330 1.00 0.00 C ATOM 989 CG ARG A 59 7.945 -10.230 -8.263 1.00 0.00 C ATOM 990 CD ARG A 59 8.718 -11.003 -9.315 1.00 0.00 C ATOM 991 NE ARG A 59 9.419 -10.097 -10.240 1.00 0.00 N ATOM 992 CZ ARG A 59 10.331 -10.468 -11.133 1.00 0.00 C ATOM 993 NH1 ARG A 59 10.715 -11.715 -11.265 1.00 0.00 N ATOM 994 NH2 ARG A 59 10.869 -9.566 -11.904 1.00 0.00 N ATOM 0 H ARG A 59 6.198 -12.456 -5.468 1.00 0.00 H new ATOM 0 HA ARG A 59 7.373 -9.934 -5.589 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.923 -11.942 -6.987 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.439 -11.696 -7.886 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.226 -9.567 -8.745 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.627 -9.599 -7.692 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.440 -11.659 -8.829 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.034 -11.641 -9.876 1.00 0.00 H new ATOM 0 HE ARG A 59 9.186 -9.105 -10.192 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.311 -12.439 -10.671 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.418 -11.961 -11.962 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.589 -8.589 -11.818 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.570 -9.837 -12.594 1.00 0.00 H new ATOM 1008 N ASP A 60 4.332 -9.940 -6.888 1.00 0.00 N ATOM 1009 CA ASP A 60 3.300 -9.000 -7.343 1.00 0.00 C ATOM 1010 C ASP A 60 2.531 -8.294 -6.225 1.00 0.00 C ATOM 1011 O ASP A 60 2.112 -7.161 -6.401 1.00 0.00 O ATOM 1012 CB ASP A 60 2.294 -9.655 -8.283 1.00 0.00 C ATOM 1013 CG ASP A 60 1.509 -8.615 -9.091 1.00 0.00 C ATOM 1014 OD1 ASP A 60 0.268 -8.736 -9.205 1.00 0.00 O ATOM 1015 OD2 ASP A 60 2.145 -7.660 -9.605 1.00 0.00 O ATOM 0 H ASP A 60 4.048 -10.919 -6.863 1.00 0.00 H new ATOM 0 HA ASP A 60 3.874 -8.240 -7.873 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.817 -10.326 -8.965 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.600 -10.265 -7.705 1.00 0.00 H new ATOM 1020 N GLU A 61 2.342 -8.923 -5.076 1.00 0.00 N ATOM 1021 CA GLU A 61 1.620 -8.255 -3.983 1.00 0.00 C ATOM 1022 C GLU A 61 2.506 -7.106 -3.444 1.00 0.00 C ATOM 1023 O GLU A 61 2.050 -5.971 -3.227 1.00 0.00 O ATOM 1024 CB GLU A 61 1.205 -9.278 -2.902 1.00 0.00 C ATOM 1025 CG GLU A 61 2.320 -9.748 -1.976 1.00 0.00 C ATOM 1026 CD GLU A 61 1.940 -10.943 -1.117 1.00 0.00 C ATOM 1027 OE1 GLU A 61 2.824 -11.423 -0.380 1.00 0.00 O ATOM 1028 OE2 GLU A 61 0.781 -11.412 -1.175 1.00 0.00 O ATOM 0 H GLU A 61 2.665 -9.868 -4.870 1.00 0.00 H new ATOM 0 HA GLU A 61 0.688 -7.816 -4.340 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.415 -8.837 -2.295 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.777 -10.150 -3.398 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.193 -10.006 -2.575 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.612 -8.923 -1.326 1.00 0.00 H new ATOM 1035 N ILE A 62 3.790 -7.391 -3.276 1.00 0.00 N ATOM 1036 CA ILE A 62 4.758 -6.384 -2.879 1.00 0.00 C ATOM 1037 C ILE A 62 4.881 -5.356 -4.014 1.00 0.00 C ATOM 1038 O ILE A 62 5.077 -4.180 -3.755 1.00 0.00 O ATOM 1039 CB ILE A 62 6.136 -7.037 -2.528 1.00 0.00 C ATOM 1040 CG1 ILE A 62 5.958 -8.048 -1.369 1.00 0.00 C ATOM 1041 CG2 ILE A 62 7.151 -5.974 -2.084 1.00 0.00 C ATOM 1042 CD1 ILE A 62 7.197 -8.892 -1.058 1.00 0.00 C ATOM 0 H ILE A 62 4.186 -8.321 -3.411 1.00 0.00 H new ATOM 0 HA ILE A 62 4.421 -5.877 -1.975 1.00 0.00 H new ATOM 0 HB ILE A 62 6.504 -7.539 -3.423 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.672 -7.502 -0.470 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.132 -8.716 -1.612 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.100 -6.454 -1.846 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.300 -5.255 -2.889 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.774 -5.457 -1.201 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.978 -9.570 -0.233 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.474 -9.470 -1.939 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.023 -8.237 -0.780 1.00 0.00 H new ATOM 1054 N ASN A 63 4.740 -5.775 -5.268 1.00 0.00 N ATOM 1055 CA ASN A 63 4.761 -4.816 -6.388 1.00 0.00 C ATOM 1056 C ASN A 63 3.533 -3.899 -6.339 1.00 0.00 C ATOM 1057 O ASN A 63 3.625 -2.717 -6.661 1.00 0.00 O ATOM 1058 CB ASN A 63 4.788 -5.543 -7.733 1.00 0.00 C ATOM 1059 CG ASN A 63 4.834 -4.602 -8.896 1.00 0.00 C ATOM 1060 OD1 ASN A 63 5.690 -3.726 -8.974 1.00 0.00 O ATOM 1061 ND2 ASN A 63 3.926 -4.779 -9.817 1.00 0.00 N ATOM 0 H ASN A 63 4.612 -6.750 -5.540 1.00 0.00 H new ATOM 0 HA ASN A 63 5.666 -4.217 -6.288 1.00 0.00 H new ATOM 0 HB2 ASN A 63 5.656 -6.201 -7.769 1.00 0.00 H new ATOM 0 HB3 ASN A 63 3.905 -6.176 -7.817 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.910 -4.177 -10.640 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.232 -5.519 -9.713 1.00 0.00 H new ATOM 1068 N LEU A 64 2.392 -4.431 -5.927 1.00 0.00 N ATOM 1069 CA LEU A 64 1.188 -3.620 -5.765 1.00 0.00 C ATOM 1070 C LEU A 64 1.440 -2.639 -4.640 1.00 0.00 C ATOM 1071 O LEU A 64 1.190 -1.444 -4.788 1.00 0.00 O ATOM 1072 CB LEU A 64 -0.032 -4.502 -5.441 1.00 0.00 C ATOM 1073 CG LEU A 64 -1.386 -3.820 -5.134 1.00 0.00 C ATOM 1074 CD1 LEU A 64 -1.466 -3.252 -3.711 1.00 0.00 C ATOM 1075 CD2 LEU A 64 -1.707 -2.725 -6.166 1.00 0.00 C ATOM 0 H LEU A 64 2.271 -5.418 -5.699 1.00 0.00 H new ATOM 0 HA LEU A 64 0.969 -3.092 -6.693 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.186 -5.175 -6.285 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.228 -5.121 -4.582 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.139 -4.605 -5.205 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.440 -2.787 -3.559 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.332 -4.058 -2.989 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.683 -2.507 -3.572 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.665 -2.265 -5.922 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.925 -1.966 -6.147 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.759 -3.167 -7.161 1.00 0.00 H new ATOM 1087 N ALA A 65 1.946 -3.132 -3.519 1.00 0.00 N ATOM 1088 CA ALA A 65 2.231 -2.252 -2.391 1.00 0.00 C ATOM 1089 C ALA A 65 3.256 -1.177 -2.796 1.00 0.00 C ATOM 1090 O ALA A 65 3.179 -0.031 -2.370 1.00 0.00 O ATOM 1091 CB ALA A 65 2.734 -3.064 -1.235 1.00 0.00 C ATOM 0 H ALA A 65 2.165 -4.116 -3.365 1.00 0.00 H new ATOM 0 HA ALA A 65 1.315 -1.744 -2.089 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.947 -2.405 -0.393 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.976 -3.792 -0.944 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.645 -3.586 -1.526 1.00 0.00 H new ATOM 1097 N LYS A 66 4.205 -1.549 -3.642 1.00 0.00 N ATOM 1098 CA LYS A 66 5.202 -0.610 -4.160 1.00 0.00 C ATOM 1099 C LYS A 66 4.545 0.447 -5.045 1.00 0.00 C ATOM 1100 O LYS A 66 4.951 1.605 -5.025 1.00 0.00 O ATOM 1101 CB LYS A 66 6.266 -1.365 -4.956 1.00 0.00 C ATOM 1102 CG LYS A 66 7.435 -0.508 -5.390 1.00 0.00 C ATOM 1103 CD LYS A 66 8.396 -1.319 -6.229 1.00 0.00 C ATOM 1104 CE LYS A 66 9.582 -0.470 -6.647 1.00 0.00 C ATOM 1105 NZ LYS A 66 10.508 -1.252 -7.527 1.00 0.00 N ATOM 0 H LYS A 66 4.310 -2.502 -3.990 1.00 0.00 H new ATOM 0 HA LYS A 66 5.672 -0.108 -3.314 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.640 -2.191 -4.351 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.801 -1.802 -5.840 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.075 0.348 -5.961 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.950 -0.113 -4.514 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.742 -2.184 -5.663 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.884 -1.700 -7.113 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.233 0.417 -7.175 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.118 -0.124 -5.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.313 -0.654 -7.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.856 -2.085 -7.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.999 -1.561 -8.380 1.00 0.00 H new ATOM 1119 N GLN A 67 3.531 0.062 -5.807 1.00 0.00 N ATOM 1120 CA GLN A 67 2.802 1.024 -6.632 1.00 0.00 C ATOM 1121 C GLN A 67 2.130 2.008 -5.686 1.00 0.00 C ATOM 1122 O GLN A 67 2.310 3.210 -5.813 1.00 0.00 O ATOM 1123 CB GLN A 67 1.751 0.336 -7.510 1.00 0.00 C ATOM 1124 CG GLN A 67 1.084 1.287 -8.501 1.00 0.00 C ATOM 1125 CD GLN A 67 -0.196 0.726 -9.083 1.00 0.00 C ATOM 1126 OE1 GLN A 67 -1.164 1.450 -9.270 1.00 0.00 O ATOM 1127 NE2 GLN A 67 -0.217 -0.552 -9.361 1.00 0.00 N ATOM 0 H GLN A 67 3.194 -0.899 -5.874 1.00 0.00 H new ATOM 0 HA GLN A 67 3.493 1.530 -7.306 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.222 -0.480 -8.059 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.987 -0.108 -6.872 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.867 2.231 -8.001 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.780 1.507 -9.311 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.610 -1.124 -9.191 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.060 -0.976 -9.747 1.00 0.00 H new ATOM 1136 N GLU A 68 1.377 1.489 -4.726 1.00 0.00 N ATOM 1137 CA GLU A 68 0.766 2.318 -3.692 1.00 0.00 C ATOM 1138 C GLU A 68 1.811 3.221 -3.008 1.00 0.00 C ATOM 1139 O GLU A 68 1.578 4.407 -2.823 1.00 0.00 O ATOM 1140 CB GLU A 68 0.076 1.407 -2.673 1.00 0.00 C ATOM 1141 CG GLU A 68 -0.951 2.115 -1.832 1.00 0.00 C ATOM 1142 CD GLU A 68 -1.715 1.168 -0.912 1.00 0.00 C ATOM 1143 OE1 GLU A 68 -2.067 0.054 -1.357 1.00 0.00 O ATOM 1144 OE2 GLU A 68 -1.969 1.545 0.252 1.00 0.00 O ATOM 0 H GLU A 68 1.173 0.493 -4.640 1.00 0.00 H new ATOM 0 HA GLU A 68 0.028 2.977 -4.150 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.404 0.583 -3.201 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.831 0.970 -2.019 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.458 2.879 -1.231 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.657 2.629 -2.484 1.00 0.00 H new ATOM 1151 N ALA A 69 2.966 2.674 -2.654 1.00 0.00 N ATOM 1152 CA ALA A 69 4.032 3.456 -2.019 1.00 0.00 C ATOM 1153 C ALA A 69 4.538 4.614 -2.905 1.00 0.00 C ATOM 1154 O ALA A 69 4.783 5.715 -2.412 1.00 0.00 O ATOM 1155 CB ALA A 69 5.197 2.533 -1.645 1.00 0.00 C ATOM 0 H ALA A 69 3.194 1.690 -2.794 1.00 0.00 H new ATOM 0 HA ALA A 69 3.608 3.908 -1.123 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.987 3.117 -1.173 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.847 1.769 -0.951 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.586 2.056 -2.544 1.00 0.00 H new ATOM 1161 N GLN A 70 4.682 4.377 -4.203 1.00 0.00 N ATOM 1162 CA GLN A 70 5.108 5.426 -5.139 1.00 0.00 C ATOM 1163 C GLN A 70 4.053 6.529 -5.160 1.00 0.00 C ATOM 1164 O GLN A 70 4.370 7.727 -5.167 1.00 0.00 O ATOM 1165 CB GLN A 70 5.279 4.838 -6.549 1.00 0.00 C ATOM 1166 CG GLN A 70 5.588 5.864 -7.658 1.00 0.00 C ATOM 1167 CD GLN A 70 6.943 6.534 -7.514 1.00 0.00 C ATOM 1168 OE1 GLN A 70 7.864 6.002 -6.906 1.00 0.00 O ATOM 1169 NE2 GLN A 70 7.072 7.700 -8.084 1.00 0.00 N ATOM 0 H GLN A 70 4.512 3.470 -4.637 1.00 0.00 H new ATOM 0 HA GLN A 70 6.064 5.837 -4.816 1.00 0.00 H new ATOM 0 HB2 GLN A 70 6.083 4.103 -6.523 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.367 4.304 -6.815 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.541 5.364 -8.625 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.813 6.630 -7.657 1.00 0.00 H new ATOM 0 HE21 GLN A 70 6.284 8.114 -8.582 1.00 0.00 H new ATOM 0 HE22 GLN A 70 7.961 8.198 -8.031 1.00 0.00 H new ATOM 1178 N ARG A 71 2.794 6.121 -5.155 1.00 0.00 N ATOM 1179 CA ARG A 71 1.697 7.075 -5.143 1.00 0.00 C ATOM 1180 C ARG A 71 1.722 7.880 -3.849 1.00 0.00 C ATOM 1181 O ARG A 71 1.486 9.063 -3.867 1.00 0.00 O ATOM 1182 CB ARG A 71 0.358 6.352 -5.299 1.00 0.00 C ATOM 1183 CG ARG A 71 0.161 5.690 -6.650 1.00 0.00 C ATOM 1184 CD ARG A 71 -1.253 5.140 -6.756 1.00 0.00 C ATOM 1185 NE ARG A 71 -1.471 4.378 -7.998 1.00 0.00 N ATOM 1186 CZ ARG A 71 -1.717 4.906 -9.192 1.00 0.00 C ATOM 1187 NH1 ARG A 71 -1.759 6.191 -9.410 1.00 0.00 N ATOM 1188 NH2 ARG A 71 -1.937 4.107 -10.195 1.00 0.00 N ATOM 0 H ARG A 71 2.508 5.142 -5.159 1.00 0.00 H new ATOM 0 HA ARG A 71 1.816 7.759 -5.984 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.274 5.594 -4.520 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.449 7.067 -5.136 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.341 6.411 -7.448 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.884 4.885 -6.779 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.454 4.497 -5.899 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.964 5.965 -6.710 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.430 3.361 -7.936 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.599 6.844 -8.643 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.952 6.543 -10.348 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.919 3.097 -10.056 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.128 4.491 -11.120 1.00 0.00 H new ATOM 1202 N LEU A 72 2.032 7.252 -2.726 1.00 0.00 N ATOM 1203 CA LEU A 72 2.094 7.956 -1.445 1.00 0.00 C ATOM 1204 C LEU A 72 3.293 8.905 -1.432 1.00 0.00 C ATOM 1205 O LEU A 72 3.236 9.994 -0.857 1.00 0.00 O ATOM 1206 CB LEU A 72 2.128 6.942 -0.305 1.00 0.00 C ATOM 1207 CG LEU A 72 0.729 6.317 -0.128 1.00 0.00 C ATOM 1208 CD1 LEU A 72 0.801 4.902 0.360 1.00 0.00 C ATOM 1209 CD2 LEU A 72 -0.114 7.155 0.829 1.00 0.00 C ATOM 0 H LEU A 72 2.245 6.256 -2.670 1.00 0.00 H new ATOM 0 HA LEU A 72 1.203 8.568 -1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.861 6.164 -0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.440 7.429 0.619 1.00 0.00 H new ATOM 0 HG LEU A 72 0.257 6.305 -1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.207 4.503 0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.354 4.297 -0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.309 4.875 1.324 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.098 6.699 0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.378 7.202 1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.225 8.163 0.429 1.00 0.00 H new ATOM 1221 N LYS A 73 4.367 8.513 -2.101 1.00 0.00 N ATOM 1222 CA LYS A 73 5.526 9.392 -2.269 1.00 0.00 C ATOM 1223 C LYS A 73 5.121 10.607 -3.107 1.00 0.00 C ATOM 1224 O LYS A 73 5.430 11.736 -2.741 1.00 0.00 O ATOM 1225 CB LYS A 73 6.673 8.630 -2.954 1.00 0.00 C ATOM 1226 CG LYS A 73 7.805 9.510 -3.496 1.00 0.00 C ATOM 1227 CD LYS A 73 8.549 8.790 -4.616 1.00 0.00 C ATOM 1228 CE LYS A 73 9.309 9.770 -5.512 1.00 0.00 C ATOM 1229 NZ LYS A 73 8.380 10.707 -6.246 1.00 0.00 N ATOM 0 H LYS A 73 4.465 7.596 -2.537 1.00 0.00 H new ATOM 0 HA LYS A 73 5.872 9.728 -1.291 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.094 7.921 -2.241 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.261 8.047 -3.778 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.397 10.450 -3.867 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.498 9.759 -2.692 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.248 8.073 -4.186 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.839 8.222 -5.218 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.004 10.351 -4.905 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.905 9.212 -6.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.492 10.574 -7.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.397 10.503 -5.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.611 11.690 -5.997 1.00 0.00 H new ATOM 1243 N GLU A 74 4.448 10.399 -4.229 1.00 0.00 N ATOM 1244 CA GLU A 74 4.065 11.541 -5.074 1.00 0.00 C ATOM 1245 C GLU A 74 2.977 12.392 -4.418 1.00 0.00 C ATOM 1246 O GLU A 74 2.949 13.608 -4.585 1.00 0.00 O ATOM 1247 CB GLU A 74 3.652 11.075 -6.469 1.00 0.00 C ATOM 1248 CG GLU A 74 4.873 10.637 -7.274 1.00 0.00 C ATOM 1249 CD GLU A 74 4.580 10.387 -8.741 1.00 0.00 C ATOM 1250 OE1 GLU A 74 3.964 11.256 -9.400 1.00 0.00 O ATOM 1251 OE2 GLU A 74 5.001 9.316 -9.244 1.00 0.00 O ATOM 0 H GLU A 74 4.159 9.484 -4.575 1.00 0.00 H new ATOM 0 HA GLU A 74 4.942 12.179 -5.184 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.947 10.247 -6.388 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.137 11.882 -6.990 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.644 11.403 -7.192 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.280 9.727 -6.834 1.00 0.00 H new ATOM 1258 N LEU A 75 2.113 11.759 -3.639 1.00 0.00 N ATOM 1259 CA LEU A 75 1.101 12.457 -2.847 1.00 0.00 C ATOM 1260 C LEU A 75 1.807 13.399 -1.868 1.00 0.00 C ATOM 1261 O LEU A 75 1.447 14.574 -1.737 1.00 0.00 O ATOM 1262 CB LEU A 75 0.276 11.418 -2.076 1.00 0.00 C ATOM 1263 CG LEU A 75 -0.831 11.904 -1.141 1.00 0.00 C ATOM 1264 CD1 LEU A 75 -1.978 12.483 -1.902 1.00 0.00 C ATOM 1265 CD2 LEU A 75 -1.312 10.739 -0.295 1.00 0.00 C ATOM 0 H LEU A 75 2.090 10.745 -3.535 1.00 0.00 H new ATOM 0 HA LEU A 75 0.440 13.036 -3.492 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.179 10.749 -2.807 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.969 10.819 -1.484 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.424 12.690 -0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.746 12.818 -1.204 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.631 13.330 -2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.395 11.724 -2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.102 11.078 0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.699 9.953 -0.944 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.481 10.348 0.292 1.00 0.00 H new ATOM 1277 N ARG A 76 2.831 12.875 -1.202 1.00 0.00 N ATOM 1278 CA ARG A 76 3.641 13.651 -0.255 1.00 0.00 C ATOM 1279 C ARG A 76 4.335 14.821 -0.940 1.00 0.00 C ATOM 1280 O ARG A 76 4.541 15.875 -0.339 1.00 0.00 O ATOM 1281 CB ARG A 76 4.669 12.716 0.396 1.00 0.00 C ATOM 1282 CG ARG A 76 5.638 13.385 1.343 1.00 0.00 C ATOM 1283 CD ARG A 76 6.940 13.768 0.638 1.00 0.00 C ATOM 1284 NE ARG A 76 7.992 14.108 1.610 1.00 0.00 N ATOM 1285 CZ ARG A 76 9.069 13.375 1.865 1.00 0.00 C ATOM 1286 NH1 ARG A 76 9.321 12.249 1.240 1.00 0.00 N ATOM 1287 NH2 ARG A 76 9.910 13.784 2.774 1.00 0.00 N ATOM 0 H ARG A 76 3.126 11.904 -1.299 1.00 0.00 H new ATOM 0 HA ARG A 76 2.987 14.072 0.509 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.135 11.936 0.939 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.238 12.223 -0.392 1.00 0.00 H new ATOM 0 HG2 ARG A 76 5.177 14.277 1.766 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.857 12.715 2.174 1.00 0.00 H new ATOM 0 HD2 ARG A 76 7.274 12.941 0.011 1.00 0.00 H new ATOM 0 HD3 ARG A 76 6.763 14.617 -0.022 1.00 0.00 H new ATOM 0 HE ARG A 76 7.885 14.979 2.130 1.00 0.00 H new ATOM 0 HH11 ARG A 76 8.677 11.906 0.527 1.00 0.00 H new ATOM 0 HH12 ARG A 76 10.161 11.717 1.467 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.735 14.654 3.276 1.00 0.00 H new ATOM 0 HH22 ARG A 76 10.743 13.233 2.983 1.00 0.00 H new ATOM 1301 N GLU A 77 4.706 14.632 -2.192 1.00 0.00 N ATOM 1302 CA GLU A 77 5.376 15.674 -2.975 1.00 0.00 C ATOM 1303 C GLU A 77 4.340 16.616 -3.611 1.00 0.00 C ATOM 1304 O GLU A 77 4.680 17.525 -4.389 1.00 0.00 O ATOM 1305 CB GLU A 77 6.273 15.013 -4.026 1.00 0.00 C ATOM 1306 CG GLU A 77 7.479 14.302 -3.383 1.00 0.00 C ATOM 1307 CD GLU A 77 8.235 13.397 -4.347 1.00 0.00 C ATOM 1308 OE1 GLU A 77 7.944 13.401 -5.559 1.00 0.00 O ATOM 1309 OE2 GLU A 77 9.133 12.658 -3.880 1.00 0.00 O ATOM 0 H GLU A 77 4.556 13.760 -2.700 1.00 0.00 H new ATOM 0 HA GLU A 77 6.003 16.284 -2.325 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.690 14.293 -4.600 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.628 15.768 -4.728 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.164 15.052 -2.988 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.132 13.709 -2.537 1.00 0.00 H new ATOM 1316 N GLY A 78 3.079 16.401 -3.252 1.00 0.00 N ATOM 1317 CA GLY A 78 1.993 17.243 -3.709 1.00 0.00 C ATOM 1318 C GLY A 78 1.886 18.522 -2.895 1.00 0.00 C ATOM 1319 O GLY A 78 2.855 18.991 -2.296 1.00 0.00 O ATOM 0 H GLY A 78 2.788 15.640 -2.638 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.144 17.493 -4.759 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.055 16.692 -3.644 1.00 0.00 H new ATOM 1323 N THR A 79 0.699 19.106 -2.876 1.00 0.00 N ATOM 1324 CA THR A 79 0.455 20.338 -2.132 1.00 0.00 C ATOM 1325 C THR A 79 -0.855 20.200 -1.374 1.00 0.00 C ATOM 1326 O THR A 79 -1.643 19.318 -1.658 1.00 0.00 O ATOM 1327 CB THR A 79 0.383 21.563 -3.084 1.00 0.00 C ATOM 1328 OG1 THR A 79 -0.225 21.184 -4.323 1.00 0.00 O ATOM 1329 CG2 THR A 79 1.776 22.084 -3.402 1.00 0.00 C ATOM 0 H THR A 79 -0.118 18.746 -3.370 1.00 0.00 H new ATOM 0 HA THR A 79 1.280 20.500 -1.438 1.00 0.00 H new ATOM 0 HB THR A 79 -0.201 22.335 -2.583 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.177 21.414 -4.304 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.700 22.942 -4.070 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.271 22.386 -2.479 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.357 21.298 -3.885 1.00 0.00 H new ATOM 1337 N GLU A 80 -1.085 21.089 -0.415 1.00 0.00 N ATOM 1338 CA GLU A 80 -2.314 21.093 0.399 1.00 0.00 C ATOM 1339 C GLU A 80 -3.549 21.598 -0.368 1.00 0.00 C ATOM 1340 O GLU A 80 -4.593 21.879 0.217 1.00 0.00 O ATOM 1341 CB GLU A 80 -2.089 21.979 1.632 1.00 0.00 C ATOM 1342 CG GLU A 80 -1.898 23.474 1.312 1.00 0.00 C ATOM 1343 CD GLU A 80 -1.581 24.290 2.555 1.00 0.00 C ATOM 1344 OE1 GLU A 80 -2.345 25.224 2.895 1.00 0.00 O ATOM 1345 OE2 GLU A 80 -0.551 24.005 3.196 1.00 0.00 O ATOM 0 H GLU A 80 -0.429 21.832 -0.173 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.517 20.060 0.682 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.940 21.869 2.304 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.211 21.619 2.168 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.091 23.589 0.588 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.803 23.863 0.845 1.00 0.00 H new ATOM 1352 N ASN A 81 -3.410 21.727 -1.677 1.00 0.00 N ATOM 1353 CA ASN A 81 -4.464 22.227 -2.543 1.00 0.00 C ATOM 1354 C ASN A 81 -4.120 21.780 -3.956 1.00 0.00 C ATOM 1355 O ASN A 81 -2.944 21.773 -4.325 1.00 0.00 O ATOM 1356 CB ASN A 81 -4.517 23.758 -2.464 1.00 0.00 C ATOM 1357 CG ASN A 81 -4.851 24.394 -3.784 1.00 0.00 C ATOM 1358 OD1 ASN A 81 -3.965 24.737 -4.554 1.00 0.00 O ATOM 1359 ND2 ASN A 81 -6.117 24.566 -4.053 1.00 0.00 N ATOM 0 H ASN A 81 -2.553 21.485 -2.173 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.440 21.844 -2.244 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.260 24.054 -1.724 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.554 24.134 -2.117 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -6.397 25.000 -4.932 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -6.826 24.266 -3.384 1.00 0.00 H new ATOM 1366 N GLU A 82 -5.136 21.428 -4.731 1.00 0.00 N ATOM 1367 CA GLU A 82 -4.978 20.943 -6.110 1.00 0.00 C ATOM 1368 C GLU A 82 -4.619 22.029 -7.140 1.00 0.00 C ATOM 1369 O GLU A 82 -5.216 22.103 -8.217 1.00 0.00 O ATOM 1370 CB GLU A 82 -6.276 20.247 -6.556 1.00 0.00 C ATOM 1371 CG GLU A 82 -6.841 19.263 -5.534 1.00 0.00 C ATOM 1372 CD GLU A 82 -5.808 18.257 -5.064 1.00 0.00 C ATOM 1373 OE1 GLU A 82 -5.503 17.306 -5.807 1.00 0.00 O ATOM 1374 OE2 GLU A 82 -5.292 18.429 -3.944 1.00 0.00 O ATOM 0 H GLU A 82 -6.108 21.469 -4.424 1.00 0.00 H new ATOM 0 HA GLU A 82 -4.132 20.256 -6.085 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.029 21.007 -6.767 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.088 19.716 -7.489 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -7.223 19.815 -4.675 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.686 18.733 -5.973 1.00 0.00 H new ATOM 1479 N TYR A 88 -3.392 16.565 -9.435 1.00 0.00 N ATOM 1480 CA TYR A 88 -3.745 15.193 -9.122 1.00 0.00 C ATOM 1481 C TYR A 88 -3.346 14.755 -7.714 1.00 0.00 C ATOM 1482 O TYR A 88 -3.242 13.576 -7.470 1.00 0.00 O ATOM 1483 CB TYR A 88 -3.086 14.256 -10.155 1.00 0.00 C ATOM 1484 CG TYR A 88 -1.565 14.132 -10.032 1.00 0.00 C ATOM 1485 CD1 TYR A 88 -0.983 12.976 -9.460 1.00 0.00 C ATOM 1486 CD2 TYR A 88 -0.703 15.153 -10.493 1.00 0.00 C ATOM 1487 CE1 TYR A 88 0.430 12.840 -9.349 1.00 0.00 C ATOM 1488 CE2 TYR A 88 0.714 15.020 -10.376 1.00 0.00 C ATOM 1489 CZ TYR A 88 1.264 13.860 -9.809 1.00 0.00 C ATOM 1490 OH TYR A 88 2.629 13.738 -9.721 1.00 0.00 O ATOM 0 HA TYR A 88 -4.833 15.133 -9.164 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.526 13.264 -10.057 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.327 14.615 -11.156 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.622 12.183 -9.101 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.121 16.044 -10.939 1.00 0.00 H new ATOM 0 HE1 TYR A 88 0.855 11.950 -8.910 1.00 0.00 H new ATOM 0 HE2 TYR A 88 1.362 15.811 -10.723 1.00 0.00 H new ATOM 0 HH TYR A 88 2.867 12.793 -9.613 1.00 0.00 H new ATOM 1500 N ALA A 89 -3.104 15.670 -6.784 1.00 0.00 N ATOM 1501 CA ALA A 89 -2.616 15.234 -5.476 1.00 0.00 C ATOM 1502 C ALA A 89 -3.654 14.391 -4.710 1.00 0.00 C ATOM 1503 O ALA A 89 -3.407 13.241 -4.410 1.00 0.00 O ATOM 1504 CB ALA A 89 -2.196 16.455 -4.638 1.00 0.00 C ATOM 0 H ALA A 89 -3.229 16.676 -6.898 1.00 0.00 H new ATOM 0 HA ALA A 89 -1.751 14.593 -5.649 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -1.834 16.122 -3.665 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -1.403 16.996 -5.155 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.053 17.114 -4.500 1.00 0.00 H new ATOM 1510 N GLU A 90 -4.830 14.920 -4.423 1.00 0.00 N ATOM 1511 CA GLU A 90 -5.813 14.132 -3.665 1.00 0.00 C ATOM 1512 C GLU A 90 -6.406 13.057 -4.570 1.00 0.00 C ATOM 1513 O GLU A 90 -6.950 12.053 -4.110 1.00 0.00 O ATOM 1514 CB GLU A 90 -6.890 15.030 -3.057 1.00 0.00 C ATOM 1515 CG GLU A 90 -6.378 15.835 -1.845 1.00 0.00 C ATOM 1516 CD GLU A 90 -5.904 14.941 -0.690 1.00 0.00 C ATOM 1517 OE1 GLU A 90 -6.700 14.092 -0.229 1.00 0.00 O ATOM 1518 OE2 GLU A 90 -4.740 15.092 -0.232 1.00 0.00 O ATOM 0 H GLU A 90 -5.131 15.858 -4.688 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.314 13.640 -2.830 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.255 15.720 -3.818 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.737 14.417 -2.749 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.556 16.476 -2.162 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.173 16.490 -1.488 1.00 0.00 H new ATOM 1525 N GLU A 91 -6.254 13.251 -5.869 1.00 0.00 N ATOM 1526 CA GLU A 91 -6.640 12.237 -6.843 1.00 0.00 C ATOM 1527 C GLU A 91 -5.693 11.042 -6.676 1.00 0.00 C ATOM 1528 O GLU A 91 -6.089 9.894 -6.843 1.00 0.00 O ATOM 1529 CB GLU A 91 -6.514 12.802 -8.259 1.00 0.00 C ATOM 1530 CG GLU A 91 -7.004 11.883 -9.360 1.00 0.00 C ATOM 1531 CD GLU A 91 -6.530 12.352 -10.724 1.00 0.00 C ATOM 1532 OE1 GLU A 91 -6.816 13.519 -11.092 1.00 0.00 O ATOM 1533 OE2 GLU A 91 -5.865 11.566 -11.427 1.00 0.00 O ATOM 0 H GLU A 91 -5.866 14.102 -6.277 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.674 11.931 -6.684 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -7.071 13.737 -8.312 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.468 13.043 -8.446 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.646 10.870 -9.177 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -8.093 11.843 -9.345 1.00 0.00 H new ATOM 1540 N GLU A 92 -4.440 11.311 -6.331 1.00 0.00 N ATOM 1541 CA GLU A 92 -3.460 10.246 -6.152 1.00 0.00 C ATOM 1542 C GLU A 92 -3.866 9.415 -4.946 1.00 0.00 C ATOM 1543 O GLU A 92 -3.687 8.207 -4.926 1.00 0.00 O ATOM 1544 CB GLU A 92 -2.049 10.835 -5.983 1.00 0.00 C ATOM 1545 CG GLU A 92 -0.929 9.829 -5.908 1.00 0.00 C ATOM 1546 CD GLU A 92 -0.660 9.126 -7.232 1.00 0.00 C ATOM 1547 OE1 GLU A 92 0.441 9.304 -7.785 1.00 0.00 O ATOM 1548 OE2 GLU A 92 -1.540 8.381 -7.715 1.00 0.00 O ATOM 0 H GLU A 92 -4.079 12.252 -6.170 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.435 9.606 -7.034 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.853 11.509 -6.817 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.033 11.439 -5.076 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.019 10.332 -5.581 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.170 9.083 -5.151 1.00 0.00 H new ATOM 1555 N LEU A 93 -4.449 10.056 -3.943 1.00 0.00 N ATOM 1556 CA LEU A 93 -4.930 9.330 -2.770 1.00 0.00 C ATOM 1557 C LEU A 93 -6.123 8.444 -3.160 1.00 0.00 C ATOM 1558 O LEU A 93 -6.292 7.351 -2.630 1.00 0.00 O ATOM 1559 CB LEU A 93 -5.301 10.303 -1.644 1.00 0.00 C ATOM 1560 CG LEU A 93 -5.680 9.678 -0.287 1.00 0.00 C ATOM 1561 CD1 LEU A 93 -4.627 8.709 0.258 1.00 0.00 C ATOM 1562 CD2 LEU A 93 -5.907 10.797 0.726 1.00 0.00 C ATOM 0 H LEU A 93 -4.600 11.064 -3.914 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.132 8.688 -2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.459 10.977 -1.485 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.138 10.913 -1.983 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.586 9.094 -0.448 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.962 8.308 1.215 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.485 7.891 -0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.683 9.237 0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.176 10.366 1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.994 11.382 0.832 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.714 11.443 0.380 1.00 0.00 H new ATOM 1574 N GLU A 94 -6.938 8.892 -4.104 1.00 0.00 N ATOM 1575 CA GLU A 94 -8.040 8.060 -4.604 1.00 0.00 C ATOM 1576 C GLU A 94 -7.445 6.833 -5.317 1.00 0.00 C ATOM 1577 O GLU A 94 -7.930 5.708 -5.186 1.00 0.00 O ATOM 1578 CB GLU A 94 -8.932 8.856 -5.568 1.00 0.00 C ATOM 1579 CG GLU A 94 -10.280 8.197 -5.863 1.00 0.00 C ATOM 1580 CD GLU A 94 -11.273 8.385 -4.726 1.00 0.00 C ATOM 1581 OE1 GLU A 94 -11.501 7.425 -3.954 1.00 0.00 O ATOM 1582 OE2 GLU A 94 -11.821 9.501 -4.587 1.00 0.00 O ATOM 0 H GLU A 94 -6.865 9.812 -4.538 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.660 7.739 -3.767 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.108 9.846 -5.148 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -8.397 8.999 -6.507 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -10.695 8.617 -6.779 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -10.131 7.132 -6.040 1.00 0.00 H new ATOM 1589 N GLN A 95 -6.371 7.046 -6.061 1.00 0.00 N ATOM 1590 CA GLN A 95 -5.715 5.949 -6.769 1.00 0.00 C ATOM 1591 C GLN A 95 -4.957 5.028 -5.789 1.00 0.00 C ATOM 1592 O GLN A 95 -4.782 3.845 -6.063 1.00 0.00 O ATOM 1593 CB GLN A 95 -4.807 6.506 -7.871 1.00 0.00 C ATOM 1594 CG GLN A 95 -5.611 7.241 -8.964 1.00 0.00 C ATOM 1595 CD GLN A 95 -4.756 7.773 -10.101 1.00 0.00 C ATOM 1596 OE1 GLN A 95 -4.141 7.012 -10.847 1.00 0.00 O ATOM 1597 NE2 GLN A 95 -4.727 9.073 -10.251 1.00 0.00 N ATOM 0 H GLN A 95 -5.935 7.959 -6.192 1.00 0.00 H new ATOM 0 HA GLN A 95 -6.474 5.330 -7.248 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -4.082 7.191 -7.432 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.242 5.690 -8.323 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -6.358 6.560 -9.372 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -6.151 8.071 -8.508 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -5.250 9.672 -9.612 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -4.181 9.487 -11.007 1.00 0.00 H new ATOM 1606 N VAL A 96 -4.553 5.553 -4.638 1.00 0.00 N ATOM 1607 CA VAL A 96 -3.979 4.735 -3.554 1.00 0.00 C ATOM 1608 C VAL A 96 -5.085 3.820 -3.031 1.00 0.00 C ATOM 1609 O VAL A 96 -4.870 2.620 -2.797 1.00 0.00 O ATOM 1610 CB VAL A 96 -3.439 5.641 -2.385 1.00 0.00 C ATOM 1611 CG1 VAL A 96 -3.357 4.890 -1.045 1.00 0.00 C ATOM 1612 CG2 VAL A 96 -2.083 6.210 -2.745 1.00 0.00 C ATOM 0 H VAL A 96 -4.609 6.548 -4.422 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.138 4.155 -3.935 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.155 6.453 -2.256 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.979 5.561 -0.274 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.349 4.538 -0.764 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.685 4.038 -1.146 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.722 6.834 -1.928 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.380 5.395 -2.917 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.169 6.811 -3.650 1.00 0.00 H new ATOM 1622 N ARG A 97 -6.282 4.374 -2.866 1.00 0.00 N ATOM 1623 CA ARG A 97 -7.414 3.569 -2.403 1.00 0.00 C ATOM 1624 C ARG A 97 -7.674 2.462 -3.408 1.00 0.00 C ATOM 1625 O ARG A 97 -7.978 1.359 -3.012 1.00 0.00 O ATOM 1626 CB ARG A 97 -8.678 4.415 -2.204 1.00 0.00 C ATOM 1627 CG ARG A 97 -8.549 5.480 -1.118 1.00 0.00 C ATOM 1628 CD ARG A 97 -9.573 6.587 -1.332 1.00 0.00 C ATOM 1629 NE ARG A 97 -9.094 7.881 -0.813 1.00 0.00 N ATOM 1630 CZ ARG A 97 -9.652 9.062 -1.071 1.00 0.00 C ATOM 1631 NH1 ARG A 97 -10.700 9.189 -1.834 1.00 0.00 N ATOM 1632 NH2 ARG A 97 -9.131 10.142 -0.561 1.00 0.00 N ATOM 0 H ARG A 97 -6.494 5.356 -3.041 1.00 0.00 H new ATOM 0 HA ARG A 97 -7.160 3.144 -1.432 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -8.929 4.901 -3.147 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -9.509 3.755 -1.954 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -8.694 5.027 -0.137 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -7.543 5.900 -1.130 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -9.791 6.680 -2.396 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -10.507 6.320 -0.837 1.00 0.00 H new ATOM 0 HE ARG A 97 -8.272 7.871 -0.210 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -11.124 8.365 -2.259 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -11.097 10.113 -2.006 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -8.302 10.078 0.030 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -9.552 11.051 -0.753 1.00 0.00 H new ATOM 1646 N GLU A 98 -7.540 2.734 -4.700 1.00 0.00 N ATOM 1647 CA GLU A 98 -7.728 1.679 -5.711 1.00 0.00 C ATOM 1648 C GLU A 98 -6.561 0.661 -5.711 1.00 0.00 C ATOM 1649 O GLU A 98 -6.771 -0.512 -5.993 1.00 0.00 O ATOM 1650 CB GLU A 98 -7.944 2.287 -7.103 1.00 0.00 C ATOM 1651 CG GLU A 98 -8.361 1.266 -8.194 1.00 0.00 C ATOM 1652 CD GLU A 98 -9.655 0.492 -7.867 1.00 0.00 C ATOM 1653 OE1 GLU A 98 -9.640 -0.762 -7.975 1.00 0.00 O ATOM 1654 OE2 GLU A 98 -10.685 1.115 -7.517 1.00 0.00 O ATOM 0 H GLU A 98 -7.307 3.653 -5.076 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.628 1.126 -5.442 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.711 3.059 -7.033 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.024 2.780 -7.417 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.494 1.793 -9.139 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.550 0.553 -8.339 1.00 0.00 H new ATOM 1661 N ALA A 99 -5.348 1.085 -5.368 1.00 0.00 N ATOM 1662 CA ALA A 99 -4.220 0.148 -5.214 1.00 0.00 C ATOM 1663 C ALA A 99 -4.592 -0.810 -4.064 1.00 0.00 C ATOM 1664 O ALA A 99 -4.566 -2.057 -4.201 1.00 0.00 O ATOM 1665 CB ALA A 99 -2.928 0.908 -4.904 1.00 0.00 C ATOM 0 H ALA A 99 -5.114 2.062 -5.191 1.00 0.00 H new ATOM 0 HA ALA A 99 -4.043 -0.409 -6.134 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.107 0.200 -4.794 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -2.706 1.597 -5.719 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -3.050 1.470 -3.978 1.00 0.00 H new ATOM 1671 N LEU A 100 -4.974 -0.221 -2.939 1.00 0.00 N ATOM 1672 CA LEU A 100 -5.377 -1.003 -1.775 1.00 0.00 C ATOM 1673 C LEU A 100 -6.575 -1.892 -2.126 1.00 0.00 C ATOM 1674 O LEU A 100 -6.700 -3.013 -1.646 1.00 0.00 O ATOM 1675 CB LEU A 100 -5.716 -0.062 -0.613 1.00 0.00 C ATOM 1676 CG LEU A 100 -5.906 -0.724 0.762 1.00 0.00 C ATOM 1677 CD1 LEU A 100 -4.611 -1.386 1.254 1.00 0.00 C ATOM 1678 CD2 LEU A 100 -6.358 0.334 1.767 1.00 0.00 C ATOM 0 H LEU A 100 -5.014 0.790 -2.806 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.553 -1.649 -1.470 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -4.922 0.680 -0.530 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.630 0.477 -0.863 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.662 -1.503 0.667 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.784 -1.843 2.228 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.301 -2.152 0.543 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.828 -0.633 1.340 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -6.495 -0.128 2.745 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -5.601 1.115 1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.301 0.770 1.437 1.00 0.00 H new ATOM 1690 N ARG A 101 -7.447 -1.398 -2.991 1.00 0.00 N ATOM 1691 CA ARG A 101 -8.598 -2.166 -3.463 1.00 0.00 C ATOM 1692 C ARG A 101 -8.178 -3.324 -4.360 1.00 0.00 C ATOM 1693 O ARG A 101 -8.813 -4.366 -4.358 1.00 0.00 O ATOM 1694 CB ARG A 101 -9.545 -1.258 -4.226 1.00 0.00 C ATOM 1695 CG ARG A 101 -10.968 -1.709 -4.230 1.00 0.00 C ATOM 1696 CD ARG A 101 -11.720 -0.813 -5.155 1.00 0.00 C ATOM 1697 NE ARG A 101 -13.167 -1.013 -5.093 1.00 0.00 N ATOM 1698 CZ ARG A 101 -14.040 -0.375 -5.861 1.00 0.00 C ATOM 1699 NH1 ARG A 101 -13.662 0.497 -6.771 1.00 0.00 N ATOM 1700 NH2 ARG A 101 -15.313 -0.621 -5.714 1.00 0.00 N ATOM 0 H ARG A 101 -7.381 -0.460 -3.386 1.00 0.00 H new ATOM 0 HA ARG A 101 -9.098 -2.580 -2.588 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -9.495 -0.258 -3.795 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -9.200 -1.178 -5.257 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -11.041 -2.746 -4.558 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -11.388 -1.662 -3.225 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -11.491 0.225 -4.912 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -11.378 -0.984 -6.176 1.00 0.00 H new ATOM 0 HE ARG A 101 -13.528 -1.686 -4.416 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -12.671 0.700 -6.902 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -14.360 0.970 -7.345 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -15.625 -1.296 -5.016 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -15.996 -0.138 -6.297 1.00 0.00 H new ATOM 1714 N LYS A 102 -7.104 -3.175 -5.124 1.00 0.00 N ATOM 1715 CA LYS A 102 -6.601 -4.297 -5.923 1.00 0.00 C ATOM 1716 C LYS A 102 -6.172 -5.350 -4.927 1.00 0.00 C ATOM 1717 O LYS A 102 -6.461 -6.519 -5.118 1.00 0.00 O ATOM 1718 CB LYS A 102 -5.441 -3.893 -6.847 1.00 0.00 C ATOM 1719 CG LYS A 102 -4.992 -5.003 -7.845 1.00 0.00 C ATOM 1720 CD LYS A 102 -3.775 -5.808 -7.334 1.00 0.00 C ATOM 1721 CE LYS A 102 -3.219 -6.781 -8.387 1.00 0.00 C ATOM 1722 NZ LYS A 102 -1.964 -7.473 -7.889 1.00 0.00 N ATOM 0 H LYS A 102 -6.570 -2.310 -5.211 1.00 0.00 H new ATOM 0 HA LYS A 102 -7.376 -4.666 -6.595 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -5.736 -3.010 -7.414 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -4.587 -3.607 -6.233 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -5.824 -5.684 -8.023 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -4.744 -4.546 -8.803 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -2.988 -5.116 -7.034 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -4.063 -6.368 -6.445 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -3.975 -7.527 -8.632 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -2.997 -6.238 -9.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -1.340 -7.681 -8.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -1.468 -6.852 -7.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -2.223 -8.361 -7.413 1.00 0.00 H new ATOM 1736 N ALA A 103 -5.511 -4.938 -3.851 1.00 0.00 N ATOM 1737 CA ALA A 103 -5.125 -5.902 -2.812 1.00 0.00 C ATOM 1738 C ALA A 103 -6.374 -6.534 -2.138 1.00 0.00 C ATOM 1739 O ALA A 103 -6.395 -7.727 -1.828 1.00 0.00 O ATOM 1740 CB ALA A 103 -4.227 -5.225 -1.769 1.00 0.00 C ATOM 0 H ALA A 103 -5.235 -3.973 -3.672 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.564 -6.707 -3.286 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -3.948 -5.950 -1.004 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.328 -4.845 -2.255 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.766 -4.399 -1.306 1.00 0.00 H new ATOM 1746 N GLU A 104 -7.409 -5.732 -1.926 1.00 0.00 N ATOM 1747 CA GLU A 104 -8.676 -6.203 -1.340 1.00 0.00 C ATOM 1748 C GLU A 104 -9.335 -7.276 -2.217 1.00 0.00 C ATOM 1749 O GLU A 104 -9.753 -8.317 -1.727 1.00 0.00 O ATOM 1750 CB GLU A 104 -9.628 -5.006 -1.189 1.00 0.00 C ATOM 1751 CG GLU A 104 -10.984 -5.302 -0.575 1.00 0.00 C ATOM 1752 CD GLU A 104 -11.916 -4.095 -0.679 1.00 0.00 C ATOM 1753 OE1 GLU A 104 -12.235 -3.677 -1.821 1.00 0.00 O ATOM 1754 OE2 GLU A 104 -12.319 -3.555 0.373 1.00 0.00 O ATOM 0 H GLU A 104 -7.403 -4.737 -2.152 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.465 -6.649 -0.368 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.134 -4.250 -0.579 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.786 -4.568 -2.174 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.435 -6.157 -1.079 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -10.859 -5.579 0.472 1.00 0.00 H new ATOM 1761 N LYS A 105 -9.417 -7.023 -3.514 1.00 0.00 N ATOM 1762 CA LYS A 105 -10.016 -7.978 -4.454 1.00 0.00 C ATOM 1763 C LYS A 105 -9.139 -9.216 -4.597 1.00 0.00 C ATOM 1764 O LYS A 105 -9.628 -10.321 -4.779 1.00 0.00 O ATOM 1765 CB LYS A 105 -10.225 -7.305 -5.813 1.00 0.00 C ATOM 1766 CG LYS A 105 -11.352 -6.258 -5.782 1.00 0.00 C ATOM 1767 CD LYS A 105 -11.449 -5.434 -7.073 1.00 0.00 C ATOM 1768 CE LYS A 105 -10.339 -4.383 -7.151 1.00 0.00 C ATOM 1769 NZ LYS A 105 -10.531 -3.410 -8.275 1.00 0.00 N ATOM 0 H LYS A 105 -9.078 -6.164 -3.947 1.00 0.00 H new ATOM 0 HA LYS A 105 -10.983 -8.295 -4.064 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -9.297 -6.826 -6.125 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -10.459 -8.064 -6.559 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -12.303 -6.762 -5.609 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.190 -5.585 -4.940 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -11.385 -6.098 -7.935 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -12.421 -4.943 -7.120 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -10.296 -3.837 -6.209 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -9.379 -4.885 -7.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -10.087 -2.502 -8.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -10.091 -3.787 -9.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -11.548 -3.265 -8.439 1.00 0.00 H new ATOM 1783 N GLU A 106 -7.835 -9.027 -4.493 1.00 0.00 N ATOM 1784 CA GLU A 106 -6.896 -10.143 -4.537 1.00 0.00 C ATOM 1785 C GLU A 106 -7.142 -11.028 -3.306 1.00 0.00 C ATOM 1786 O GLU A 106 -7.187 -12.265 -3.399 1.00 0.00 O ATOM 1787 CB GLU A 106 -5.470 -9.587 -4.574 1.00 0.00 C ATOM 1788 CG GLU A 106 -4.384 -10.601 -4.788 1.00 0.00 C ATOM 1789 CD GLU A 106 -3.042 -9.928 -5.029 1.00 0.00 C ATOM 1790 OE1 GLU A 106 -2.080 -10.194 -4.281 1.00 0.00 O ATOM 1791 OE2 GLU A 106 -2.949 -9.114 -5.971 1.00 0.00 O ATOM 0 H GLU A 106 -7.399 -8.112 -4.377 1.00 0.00 H new ATOM 0 HA GLU A 106 -7.037 -10.753 -5.429 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.410 -8.843 -5.369 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.277 -9.067 -3.635 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -4.315 -11.253 -3.917 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -4.635 -11.232 -5.640 1.00 0.00 H new ATOM 1798 N LEU A 107 -7.338 -10.391 -2.156 1.00 0.00 N ATOM 1799 CA LEU A 107 -7.652 -11.120 -0.927 1.00 0.00 C ATOM 1800 C LEU A 107 -8.979 -11.861 -1.079 1.00 0.00 C ATOM 1801 O LEU A 107 -9.109 -12.981 -0.609 1.00 0.00 O ATOM 1802 CB LEU A 107 -7.729 -10.163 0.272 1.00 0.00 C ATOM 1803 CG LEU A 107 -8.132 -10.799 1.617 1.00 0.00 C ATOM 1804 CD1 LEU A 107 -7.140 -11.876 2.062 1.00 0.00 C ATOM 1805 CD2 LEU A 107 -8.237 -9.711 2.687 1.00 0.00 C ATOM 0 H LEU A 107 -7.286 -9.378 -2.047 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.854 -11.841 -0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -6.756 -9.686 0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -8.443 -9.374 0.037 1.00 0.00 H new ATOM 0 HG LEU A 107 -9.100 -11.282 1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -7.463 -12.297 3.014 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.099 -12.665 1.311 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.151 -11.434 2.178 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -8.522 -10.162 3.638 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -7.273 -9.213 2.796 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -8.991 -8.981 2.391 1.00 0.00 H new ATOM 1817 N GLU A 108 -9.953 -11.250 -1.740 1.00 0.00 N ATOM 1818 CA GLU A 108 -11.251 -11.895 -1.962 1.00 0.00 C ATOM 1819 C GLU A 108 -11.044 -13.206 -2.730 1.00 0.00 C ATOM 1820 O GLU A 108 -11.529 -14.273 -2.305 1.00 0.00 O ATOM 1821 CB GLU A 108 -12.188 -10.948 -2.728 1.00 0.00 C ATOM 1822 CG GLU A 108 -13.612 -11.461 -2.893 1.00 0.00 C ATOM 1823 CD GLU A 108 -14.506 -10.456 -3.620 1.00 0.00 C ATOM 1824 OE1 GLU A 108 -15.697 -10.341 -3.249 1.00 0.00 O ATOM 1825 OE2 GLU A 108 -14.026 -9.788 -4.566 1.00 0.00 O ATOM 0 H GLU A 108 -9.875 -10.312 -2.133 1.00 0.00 H new ATOM 0 HA GLU A 108 -11.715 -12.123 -1.003 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.219 -9.990 -2.209 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -11.766 -10.762 -3.716 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.597 -12.399 -3.448 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -14.035 -11.678 -1.912 1.00 0.00 H new ATOM 1832 N SER A 109 -10.301 -13.146 -3.833 1.00 0.00 N ATOM 1833 CA SER A 109 -10.009 -14.344 -4.627 1.00 0.00 C ATOM 1834 C SER A 109 -9.259 -15.383 -3.802 1.00 0.00 C ATOM 1835 O SER A 109 -9.490 -16.586 -3.939 1.00 0.00 O ATOM 1836 CB SER A 109 -9.186 -13.989 -5.866 1.00 0.00 C ATOM 1837 OG SER A 109 -8.323 -12.891 -5.621 1.00 0.00 O ATOM 0 H SER A 109 -9.891 -12.287 -4.198 1.00 0.00 H new ATOM 0 HA SER A 109 -10.964 -14.766 -4.940 1.00 0.00 H new ATOM 0 HB2 SER A 109 -8.598 -14.854 -6.173 1.00 0.00 H new ATOM 0 HB3 SER A 109 -9.855 -13.749 -6.692 1.00 0.00 H new ATOM 0 HG SER A 109 -7.903 -12.995 -4.741 1.00 0.00 H new ATOM 1843 N HIS A 110 -8.383 -14.923 -2.920 1.00 0.00 N ATOM 1844 CA HIS A 110 -7.599 -15.832 -2.084 1.00 0.00 C ATOM 1845 C HIS A 110 -8.423 -16.380 -0.916 1.00 0.00 C ATOM 1846 O HIS A 110 -7.944 -17.209 -0.145 1.00 0.00 O ATOM 1847 CB HIS A 110 -6.403 -15.091 -1.491 1.00 0.00 C ATOM 1848 CG HIS A 110 -5.368 -14.685 -2.492 1.00 0.00 C ATOM 1849 ND1 HIS A 110 -5.241 -15.213 -3.753 1.00 0.00 N ATOM 1850 CD2 HIS A 110 -4.363 -13.778 -2.389 1.00 0.00 C ATOM 1851 CE1 HIS A 110 -4.209 -14.629 -4.345 1.00 0.00 C ATOM 1852 NE2 HIS A 110 -3.626 -13.750 -3.553 1.00 0.00 N ATOM 0 H HIS A 110 -8.195 -13.933 -2.762 1.00 0.00 H new ATOM 0 HA HIS A 110 -7.279 -16.656 -2.722 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -6.762 -14.200 -0.976 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -5.934 -15.726 -0.739 1.00 0.00 H new ATOM 0 HD1 HIS A 110 -5.838 -15.931 -4.163 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -4.169 -13.167 -1.520 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -3.885 -14.846 -5.352 1.00 0.00 H new ATOM 1860 N SER A 111 -9.656 -15.918 -0.785 1.00 0.00 N ATOM 1861 CA SER A 111 -10.546 -16.342 0.289 1.00 0.00 C ATOM 1862 C SER A 111 -11.880 -16.836 -0.253 1.00 0.00 C ATOM 1863 O SER A 111 -12.792 -17.118 0.515 1.00 0.00 O ATOM 1864 CB SER A 111 -10.805 -15.162 1.214 1.00 0.00 C ATOM 1865 OG SER A 111 -11.351 -14.089 0.468 1.00 0.00 O ATOM 0 H SER A 111 -10.071 -15.237 -1.421 1.00 0.00 H new ATOM 0 HA SER A 111 -10.065 -17.161 0.824 1.00 0.00 H new ATOM 0 HB2 SER A 111 -11.492 -15.453 2.009 1.00 0.00 H new ATOM 0 HB3 SER A 111 -9.877 -14.851 1.693 1.00 0.00 H new ATOM 0 HG SER A 111 -10.625 -13.543 0.101 1.00 0.00 H new ATOM 1871 N SER A 112 -11.991 -16.955 -1.572 1.00 0.00 N ATOM 1872 CA SER A 112 -13.234 -17.411 -2.222 1.00 0.00 C ATOM 1873 C SER A 112 -13.598 -18.895 -1.991 1.00 0.00 C ATOM 1874 O SER A 112 -14.565 -19.389 -2.566 1.00 0.00 O ATOM 1875 CB SER A 112 -13.135 -17.155 -3.724 1.00 0.00 C ATOM 1876 OG SER A 112 -13.031 -15.765 -3.989 1.00 0.00 O ATOM 0 H SER A 112 -11.235 -16.743 -2.223 1.00 0.00 H new ATOM 0 HA SER A 112 -14.033 -16.836 -1.754 1.00 0.00 H new ATOM 0 HB2 SER A 112 -12.267 -17.674 -4.130 1.00 0.00 H new ATOM 0 HB3 SER A 112 -14.013 -17.562 -4.226 1.00 0.00 H new ATOM 0 HG SER A 112 -12.414 -15.355 -3.347 1.00 0.00 H new ATOM 1882 N TRP A 113 -12.832 -19.576 -1.145 1.00 0.00 N ATOM 1883 CA TRP A 113 -13.059 -20.984 -0.765 1.00 0.00 C ATOM 1884 C TRP A 113 -12.987 -21.986 -1.933 1.00 0.00 C ATOM 1885 O TRP A 113 -12.277 -21.754 -2.916 1.00 0.00 O ATOM 1886 CB TRP A 113 -14.386 -21.126 0.006 1.00 0.00 C ATOM 1887 CG TRP A 113 -14.547 -20.108 1.094 1.00 0.00 C ATOM 1888 CD1 TRP A 113 -15.317 -18.993 1.065 1.00 0.00 C ATOM 1889 CD2 TRP A 113 -13.922 -20.108 2.395 1.00 0.00 C ATOM 1890 NE1 TRP A 113 -15.235 -18.293 2.232 1.00 0.00 N ATOM 1891 CE2 TRP A 113 -14.390 -18.950 3.083 1.00 0.00 C ATOM 1892 CE3 TRP A 113 -13.014 -20.967 3.049 1.00 0.00 C ATOM 1893 CZ2 TRP A 113 -13.987 -18.638 4.399 1.00 0.00 C ATOM 1894 CZ3 TRP A 113 -12.611 -20.659 4.377 1.00 0.00 C ATOM 1895 CH2 TRP A 113 -13.109 -19.498 5.037 1.00 0.00 C ATOM 0 H TRP A 113 -12.017 -19.165 -0.690 1.00 0.00 H new ATOM 0 HA TRP A 113 -12.226 -21.251 -0.115 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -15.217 -21.035 -0.694 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -14.442 -22.124 0.440 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -15.921 -18.696 0.221 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -15.724 -17.422 2.437 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -12.631 -21.844 2.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -14.354 -17.752 4.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -11.921 -21.311 4.891 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -12.797 -19.286 6.049 1.00 0.00 H new