USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 635 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 26 SER OG : rot 180:sc= -0.0832 USER MOD Single : A 30 SER OG : rot 180:sc=-0.00486 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.565 K(o=-0.57,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.53 K(o=-0.53,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 34:sc= 0.57 USER MOD Single : A 51 SER OG : rot -116:sc= 1.06 USER MOD Single : A 52 SER OG : rot 180:sc= -1.85 USER MOD Single : A 67 GLN : amide:sc= -0.212 X(o=-0.21,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -2 X(o=-2,f=-1.9) USER MOD Single : A 91 TYR OH : rot 69:sc= 2.1 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.282 USER MOD Single : A 94 HIS : no HD1:sc= -0.234 X(o=-0.23,f=-0.51) USER MOD Single : A 98 LYS NZ :NH3+ 169:sc= -3.46! (180deg=-3.64!) USER MOD ----------------------------------------------------------------- ATOM 27 N LEU A 23 -6.120 10.248 -6.724 1.00 0.00 N ATOM 28 CA LEU A 23 -6.181 8.829 -6.396 1.00 0.00 C ATOM 29 C LEU A 23 -6.053 8.614 -4.893 1.00 0.00 C ATOM 30 O LEU A 23 -5.113 9.092 -4.267 1.00 0.00 O ATOM 31 CB LEU A 23 -5.090 8.064 -7.153 1.00 0.00 C ATOM 32 CG LEU A 23 -5.367 7.805 -8.644 1.00 0.00 C ATOM 33 CD1 LEU A 23 -5.901 6.396 -8.854 1.00 0.00 C ATOM 34 CD2 LEU A 23 -6.332 8.835 -9.222 1.00 0.00 C ATOM 0 HA LEU A 23 -7.152 8.443 -6.706 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.156 8.620 -7.067 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.936 7.105 -6.659 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.421 7.902 -9.176 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.090 6.233 -9.915 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.166 5.672 -8.501 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.829 6.272 -8.296 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.504 8.621 -10.277 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.278 8.789 -8.683 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.904 9.832 -9.120 1.00 0.00 H new ATOM 46 N ARG A 24 -7.027 7.918 -4.321 1.00 0.00 N ATOM 47 CA ARG A 24 -7.045 7.656 -2.887 1.00 0.00 C ATOM 48 C ARG A 24 -6.422 6.297 -2.557 1.00 0.00 C ATOM 49 O ARG A 24 -6.873 5.260 -3.042 1.00 0.00 O ATOM 50 CB ARG A 24 -8.489 7.730 -2.368 1.00 0.00 C ATOM 51 CG ARG A 24 -8.758 6.892 -1.125 1.00 0.00 C ATOM 52 CD ARG A 24 -9.929 7.441 -0.325 1.00 0.00 C ATOM 53 NE ARG A 24 -10.930 6.415 -0.044 1.00 0.00 N ATOM 54 CZ ARG A 24 -11.802 5.964 -0.944 1.00 0.00 C ATOM 55 NH1 ARG A 24 -11.800 6.447 -2.180 1.00 0.00 N ATOM 56 NH2 ARG A 24 -12.678 5.028 -0.606 1.00 0.00 N ATOM 0 H ARG A 24 -7.818 7.523 -4.830 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.444 8.418 -2.390 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.730 8.770 -2.148 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.164 7.407 -3.161 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.966 5.863 -1.417 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.866 6.871 -0.499 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.563 7.857 0.614 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.393 8.259 -0.877 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.963 6.021 0.896 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.128 7.167 -2.445 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.470 6.098 -2.865 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.684 4.654 0.343 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.346 4.682 -1.295 1.00 0.00 H new ATOM 70 N LEU A 25 -5.394 6.317 -1.711 1.00 0.00 N ATOM 71 CA LEU A 25 -4.714 5.101 -1.289 1.00 0.00 C ATOM 72 C LEU A 25 -5.393 4.544 -0.043 1.00 0.00 C ATOM 73 O LEU A 25 -5.839 5.304 0.817 1.00 0.00 O ATOM 74 CB LEU A 25 -3.246 5.400 -0.993 1.00 0.00 C ATOM 75 CG LEU A 25 -2.297 4.219 -1.149 1.00 0.00 C ATOM 76 CD1 LEU A 25 -0.855 4.649 -0.934 1.00 0.00 C ATOM 77 CD2 LEU A 25 -2.662 3.104 -0.189 1.00 0.00 C ATOM 0 H LEU A 25 -5.014 7.171 -1.303 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.768 4.363 -2.089 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.915 6.201 -1.654 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.167 5.776 0.027 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.395 3.844 -2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.197 3.788 -1.051 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.589 5.411 -1.667 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.743 5.057 0.070 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.971 2.271 -0.319 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.600 3.471 0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.678 2.767 -0.393 1.00 0.00 H new ATOM 89 N SER A 26 -5.479 3.223 0.056 1.00 0.00 N ATOM 90 CA SER A 26 -6.120 2.598 1.212 1.00 0.00 C ATOM 91 C SER A 26 -5.445 1.281 1.564 1.00 0.00 C ATOM 92 O SER A 26 -5.580 0.296 0.844 1.00 0.00 O ATOM 93 CB SER A 26 -7.605 2.362 0.931 1.00 0.00 C ATOM 94 OG SER A 26 -8.152 3.417 0.159 1.00 0.00 O ATOM 0 H SER A 26 -5.119 2.569 -0.639 1.00 0.00 H new ATOM 0 HA SER A 26 -6.019 3.275 2.060 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.733 1.417 0.403 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.147 2.277 1.873 1.00 0.00 H new ATOM 0 HG SER A 26 -9.102 3.242 -0.008 1.00 0.00 H new ATOM 100 N VAL A 27 -4.718 1.267 2.674 1.00 0.00 N ATOM 101 CA VAL A 27 -4.023 0.062 3.099 1.00 0.00 C ATOM 102 C VAL A 27 -4.815 -0.721 4.138 1.00 0.00 C ATOM 103 O VAL A 27 -5.112 -0.224 5.224 1.00 0.00 O ATOM 104 CB VAL A 27 -2.621 0.381 3.649 1.00 0.00 C ATOM 105 CG1 VAL A 27 -2.692 1.008 5.033 1.00 0.00 C ATOM 106 CG2 VAL A 27 -1.769 -0.874 3.669 1.00 0.00 C ATOM 0 H VAL A 27 -4.596 2.070 3.291 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.919 -0.559 2.209 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.157 1.111 2.986 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.684 1.219 5.389 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.261 1.936 4.983 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.182 0.318 5.720 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.780 -0.636 4.060 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.240 -1.623 4.305 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.674 -1.266 2.656 1.00 0.00 H new ATOM 116 N PHE A 28 -5.153 -1.953 3.784 1.00 0.00 N ATOM 117 CA PHE A 28 -5.906 -2.827 4.659 1.00 0.00 C ATOM 118 C PHE A 28 -5.025 -3.913 5.265 1.00 0.00 C ATOM 119 O PHE A 28 -4.161 -4.477 4.596 1.00 0.00 O ATOM 120 CB PHE A 28 -7.053 -3.470 3.892 1.00 0.00 C ATOM 121 CG PHE A 28 -8.285 -3.587 4.722 1.00 0.00 C ATOM 122 CD1 PHE A 28 -8.916 -2.450 5.184 1.00 0.00 C ATOM 123 CD2 PHE A 28 -8.796 -4.826 5.061 1.00 0.00 C ATOM 124 CE1 PHE A 28 -10.039 -2.541 5.972 1.00 0.00 C ATOM 125 CE2 PHE A 28 -9.924 -4.927 5.848 1.00 0.00 C ATOM 126 CZ PHE A 28 -10.548 -3.783 6.306 1.00 0.00 C ATOM 0 H PHE A 28 -4.912 -2.369 2.885 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.301 -2.219 5.473 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -7.270 -2.879 3.002 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.751 -4.460 3.551 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -8.523 -1.478 4.924 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -8.308 -5.722 4.707 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -10.523 -1.644 6.330 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -10.319 -5.899 6.106 1.00 0.00 H new ATOM 0 HZ PHE A 28 -11.431 -3.858 6.923 1.00 0.00 H new ATOM 136 N ARG A 29 -5.271 -4.209 6.534 1.00 0.00 N ATOM 137 CA ARG A 29 -4.528 -5.239 7.248 1.00 0.00 C ATOM 138 C ARG A 29 -5.411 -5.861 8.321 1.00 0.00 C ATOM 139 O ARG A 29 -5.985 -5.154 9.150 1.00 0.00 O ATOM 140 CB ARG A 29 -3.253 -4.665 7.876 1.00 0.00 C ATOM 141 CG ARG A 29 -3.373 -3.212 8.307 1.00 0.00 C ATOM 142 CD ARG A 29 -2.173 -2.778 9.132 1.00 0.00 C ATOM 143 NE ARG A 29 -2.430 -1.538 9.861 1.00 0.00 N ATOM 144 CZ ARG A 29 -3.127 -1.475 10.994 1.00 0.00 C ATOM 145 NH1 ARG A 29 -3.636 -2.578 11.530 1.00 0.00 N ATOM 146 NH2 ARG A 29 -3.316 -0.307 11.592 1.00 0.00 N ATOM 0 H ARG A 29 -5.986 -3.746 7.095 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.233 -6.008 6.534 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.984 -5.269 8.743 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.436 -4.754 7.160 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.460 -2.576 7.426 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.285 -3.078 8.889 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.914 -3.567 9.838 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.313 -2.642 8.477 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.054 -0.670 9.480 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.494 -3.479 11.074 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.169 -2.524 12.398 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.928 0.543 11.184 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.850 -0.259 12.460 1.00 0.00 H new ATOM 160 N SER A 30 -5.529 -7.181 8.297 1.00 0.00 N ATOM 161 CA SER A 30 -6.360 -7.883 9.271 1.00 0.00 C ATOM 162 C SER A 30 -5.550 -8.254 10.513 1.00 0.00 C ATOM 163 O SER A 30 -5.533 -7.514 11.496 1.00 0.00 O ATOM 164 CB SER A 30 -6.974 -9.136 8.640 1.00 0.00 C ATOM 165 OG SER A 30 -7.566 -9.965 9.626 1.00 0.00 O ATOM 0 H SER A 30 -5.064 -7.786 7.620 1.00 0.00 H new ATOM 0 HA SER A 30 -7.164 -7.215 9.578 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.725 -8.846 7.905 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.204 -9.693 8.106 1.00 0.00 H new ATOM 0 HG SER A 30 -7.952 -10.757 9.198 1.00 0.00 H new ATOM 171 N LEU A 31 -4.874 -9.398 10.460 1.00 0.00 N ATOM 172 CA LEU A 31 -4.057 -9.860 11.575 1.00 0.00 C ATOM 173 C LEU A 31 -2.668 -10.242 11.080 1.00 0.00 C ATOM 174 O LEU A 31 -1.662 -9.686 11.520 1.00 0.00 O ATOM 175 CB LEU A 31 -4.720 -11.056 12.264 1.00 0.00 C ATOM 176 CG LEU A 31 -5.449 -10.729 13.568 1.00 0.00 C ATOM 177 CD1 LEU A 31 -6.487 -11.796 13.880 1.00 0.00 C ATOM 178 CD2 LEU A 31 -4.457 -10.598 14.714 1.00 0.00 C ATOM 0 H LEU A 31 -4.877 -10.023 9.654 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.965 -9.051 12.299 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.431 -11.507 11.571 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.957 -11.806 12.471 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.962 -9.775 13.446 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.996 -11.547 14.811 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.215 -11.843 13.070 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.995 -12.763 13.983 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.993 -10.365 15.634 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.916 -11.537 14.836 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.750 -9.798 14.494 1.00 0.00 H new ATOM 190 N LYS A 32 -2.628 -11.184 10.146 1.00 0.00 N ATOM 191 CA LYS A 32 -1.373 -11.638 9.564 1.00 0.00 C ATOM 192 C LYS A 32 -1.353 -11.360 8.063 1.00 0.00 C ATOM 193 O LYS A 32 -0.577 -11.959 7.319 1.00 0.00 O ATOM 194 CB LYS A 32 -1.175 -13.133 9.823 1.00 0.00 C ATOM 195 CG LYS A 32 0.263 -13.510 10.139 1.00 0.00 C ATOM 196 CD LYS A 32 0.419 -15.013 10.315 1.00 0.00 C ATOM 197 CE LYS A 32 1.028 -15.660 9.081 1.00 0.00 C ATOM 198 NZ LYS A 32 -0.002 -16.329 8.239 1.00 0.00 N ATOM 0 H LYS A 32 -3.456 -11.650 9.774 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.557 -11.090 10.034 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.812 -13.437 10.653 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.504 -13.692 8.947 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.915 -13.167 9.336 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.582 -13.001 11.048 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.049 -15.215 11.181 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.555 -15.459 10.518 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.543 -14.902 8.491 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.777 -16.390 9.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.454 -16.757 7.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.477 -17.070 8.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.703 -15.628 7.926 1.00 0.00 H new ATOM 212 N HIS A 33 -2.219 -10.447 7.625 1.00 0.00 N ATOM 213 CA HIS A 33 -2.311 -10.087 6.216 1.00 0.00 C ATOM 214 C HIS A 33 -1.995 -8.610 6.010 1.00 0.00 C ATOM 215 O HIS A 33 -2.125 -7.802 6.929 1.00 0.00 O ATOM 216 CB HIS A 33 -3.711 -10.396 5.681 1.00 0.00 C ATOM 217 CG HIS A 33 -3.942 -11.849 5.409 1.00 0.00 C ATOM 218 ND1 HIS A 33 -4.978 -12.315 4.628 1.00 0.00 N ATOM 219 CD2 HIS A 33 -3.262 -12.945 5.821 1.00 0.00 C ATOM 220 CE1 HIS A 33 -4.926 -13.634 4.571 1.00 0.00 C ATOM 221 NE2 HIS A 33 -3.894 -14.041 5.286 1.00 0.00 N ATOM 0 H HIS A 33 -2.868 -9.943 8.230 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.578 -10.678 5.667 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -4.451 -10.048 6.402 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -3.872 -9.833 4.762 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.386 -12.956 6.453 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.611 -14.271 4.031 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -3.612 -15.012 5.420 1.00 0.00 H new ATOM 230 N ILE A 34 -1.583 -8.266 4.796 1.00 0.00 N ATOM 231 CA ILE A 34 -1.250 -6.892 4.459 1.00 0.00 C ATOM 232 C ILE A 34 -1.697 -6.578 3.034 1.00 0.00 C ATOM 233 O ILE A 34 -1.455 -7.362 2.116 1.00 0.00 O ATOM 234 CB ILE A 34 0.267 -6.646 4.587 1.00 0.00 C ATOM 235 CG1 ILE A 34 0.642 -5.273 4.026 1.00 0.00 C ATOM 236 CG2 ILE A 34 1.036 -7.748 3.870 1.00 0.00 C ATOM 237 CD1 ILE A 34 -0.140 -4.134 4.642 1.00 0.00 C ATOM 0 H ILE A 34 -1.472 -8.926 4.026 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.771 -6.237 5.157 1.00 0.00 H new ATOM 0 HB ILE A 34 0.535 -6.663 5.643 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.706 -5.102 4.188 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.480 -5.273 2.948 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.106 -7.566 3.966 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.791 -8.712 4.316 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.762 -7.756 2.815 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.178 -3.191 4.197 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.204 -4.282 4.457 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.042 -4.107 5.716 1.00 0.00 H new ATOM 249 N TYR A 35 -2.363 -5.442 2.851 1.00 0.00 N ATOM 250 CA TYR A 35 -2.851 -5.061 1.534 1.00 0.00 C ATOM 251 C TYR A 35 -2.892 -3.547 1.357 1.00 0.00 C ATOM 252 O TYR A 35 -3.126 -2.802 2.305 1.00 0.00 O ATOM 253 CB TYR A 35 -4.262 -5.621 1.316 1.00 0.00 C ATOM 254 CG TYR A 35 -4.309 -7.117 1.098 1.00 0.00 C ATOM 255 CD1 TYR A 35 -4.101 -7.999 2.151 1.00 0.00 C ATOM 256 CD2 TYR A 35 -4.566 -7.647 -0.160 1.00 0.00 C ATOM 257 CE1 TYR A 35 -4.142 -9.365 1.956 1.00 0.00 C ATOM 258 CE2 TYR A 35 -4.611 -9.013 -0.363 1.00 0.00 C ATOM 259 CZ TYR A 35 -4.397 -9.868 0.698 1.00 0.00 C ATOM 260 OH TYR A 35 -4.440 -11.229 0.500 1.00 0.00 O ATOM 0 H TYR A 35 -2.575 -4.775 3.593 1.00 0.00 H new ATOM 0 HA TYR A 35 -2.158 -5.475 0.801 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.877 -5.372 2.181 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.708 -5.125 0.454 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.904 -7.609 3.139 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -4.733 -6.980 -0.993 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.975 -10.037 2.785 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -4.813 -9.409 -1.347 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.632 -11.417 -0.443 1.00 0.00 H new ATOM 270 N ALA A 36 -2.710 -3.113 0.118 1.00 0.00 N ATOM 271 CA ALA A 36 -2.777 -1.699 -0.230 1.00 0.00 C ATOM 272 C ALA A 36 -3.626 -1.544 -1.476 1.00 0.00 C ATOM 273 O ALA A 36 -3.407 -2.227 -2.477 1.00 0.00 O ATOM 274 CB ALA A 36 -1.399 -1.086 -0.444 1.00 0.00 C ATOM 0 H ALA A 36 -2.513 -3.727 -0.672 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.227 -1.162 0.605 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.506 -0.032 -0.701 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.813 -1.179 0.471 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.891 -1.608 -1.255 1.00 0.00 H new ATOM 280 N GLN A 37 -4.604 -0.662 -1.403 1.00 0.00 N ATOM 281 CA GLN A 37 -5.503 -0.431 -2.518 1.00 0.00 C ATOM 282 C GLN A 37 -5.380 0.991 -3.019 1.00 0.00 C ATOM 283 O GLN A 37 -5.742 1.943 -2.327 1.00 0.00 O ATOM 284 CB GLN A 37 -6.950 -0.715 -2.110 1.00 0.00 C ATOM 285 CG GLN A 37 -7.881 -0.942 -3.290 1.00 0.00 C ATOM 286 CD GLN A 37 -8.834 -2.100 -3.066 1.00 0.00 C ATOM 287 OE1 GLN A 37 -9.979 -1.906 -2.656 1.00 0.00 O ATOM 288 NE2 GLN A 37 -8.366 -3.313 -3.333 1.00 0.00 N ATOM 0 H GLN A 37 -4.797 -0.091 -0.580 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.223 -1.111 -3.323 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.971 -1.594 -1.466 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.323 0.122 -1.519 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.455 -0.034 -3.475 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.288 -1.132 -4.185 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.411 -3.428 -3.671 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.962 -4.130 -3.200 1.00 0.00 H new ATOM 297 N ILE A 38 -4.877 1.126 -4.230 1.00 0.00 N ATOM 298 CA ILE A 38 -4.717 2.430 -4.839 1.00 0.00 C ATOM 299 C ILE A 38 -5.873 2.674 -5.793 1.00 0.00 C ATOM 300 O ILE A 38 -5.903 2.152 -6.913 1.00 0.00 O ATOM 301 CB ILE A 38 -3.366 2.569 -5.571 1.00 0.00 C ATOM 302 CG1 ILE A 38 -2.336 1.556 -5.016 1.00 0.00 C ATOM 303 CG2 ILE A 38 -2.864 3.999 -5.442 1.00 0.00 C ATOM 304 CD1 ILE A 38 -1.310 2.136 -4.067 1.00 0.00 C ATOM 0 H ILE A 38 -4.572 0.346 -4.812 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.722 3.182 -4.050 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.504 2.344 -6.628 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.874 0.760 -4.502 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.813 1.097 -5.855 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.910 4.098 -5.959 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.589 4.681 -5.886 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.733 4.245 -4.388 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.635 1.347 -3.734 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.739 2.911 -4.578 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.816 2.568 -3.204 1.00 0.00 H new ATOM 316 N ILE A 39 -6.851 3.428 -5.306 1.00 0.00 N ATOM 317 CA ILE A 39 -8.064 3.715 -6.064 1.00 0.00 C ATOM 318 C ILE A 39 -8.084 5.126 -6.632 1.00 0.00 C ATOM 319 O ILE A 39 -7.394 6.018 -6.145 1.00 0.00 O ATOM 320 CB ILE A 39 -9.309 3.549 -5.168 1.00 0.00 C ATOM 321 CG1 ILE A 39 -9.208 2.269 -4.339 1.00 0.00 C ATOM 322 CG2 ILE A 39 -10.581 3.552 -6.000 1.00 0.00 C ATOM 323 CD1 ILE A 39 -8.635 2.498 -2.958 1.00 0.00 C ATOM 0 H ILE A 39 -6.827 3.856 -4.380 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.077 3.006 -6.891 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.351 4.398 -4.485 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.199 1.825 -4.245 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.585 1.549 -4.869 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.444 3.434 -5.345 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.661 4.496 -6.539 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.551 2.728 -6.713 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.590 1.550 -2.421 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.631 2.914 -3.045 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -9.270 3.195 -2.411 1.00 0.00 H new ATOM 335 N ASP A 40 -8.921 5.319 -7.644 1.00 0.00 N ATOM 336 CA ASP A 40 -9.094 6.620 -8.266 1.00 0.00 C ATOM 337 C ASP A 40 -10.233 7.342 -7.559 1.00 0.00 C ATOM 338 O ASP A 40 -11.387 6.890 -7.604 1.00 0.00 O ATOM 339 CB ASP A 40 -9.410 6.471 -9.758 1.00 0.00 C ATOM 340 CG ASP A 40 -8.786 7.570 -10.595 1.00 0.00 C ATOM 341 OD1 ASP A 40 -8.938 8.754 -10.229 1.00 0.00 O ATOM 342 OD2 ASP A 40 -8.146 7.246 -11.618 1.00 0.00 O ATOM 0 H ASP A 40 -9.495 4.581 -8.053 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.171 7.193 -8.176 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.050 5.503 -10.108 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.491 6.479 -9.900 1.00 0.00 H new ATOM 347 N ASP A 41 -9.885 8.437 -6.881 1.00 0.00 N ATOM 348 CA ASP A 41 -10.844 9.233 -6.111 1.00 0.00 C ATOM 349 C ASP A 41 -11.497 10.333 -6.948 1.00 0.00 C ATOM 350 O ASP A 41 -12.035 11.299 -6.407 1.00 0.00 O ATOM 351 CB ASP A 41 -10.154 9.851 -4.894 1.00 0.00 C ATOM 352 CG ASP A 41 -11.086 9.981 -3.706 1.00 0.00 C ATOM 353 OD1 ASP A 41 -11.199 9.008 -2.931 1.00 0.00 O ATOM 354 OD2 ASP A 41 -11.703 11.056 -3.550 1.00 0.00 O ATOM 0 H ASP A 41 -8.931 8.797 -6.850 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.635 8.557 -5.788 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.297 9.238 -4.615 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -9.768 10.835 -5.159 1.00 0.00 H new ATOM 359 N GLU A 42 -11.501 10.148 -8.258 1.00 0.00 N ATOM 360 CA GLU A 42 -12.148 11.086 -9.173 1.00 0.00 C ATOM 361 C GLU A 42 -13.399 10.385 -9.640 1.00 0.00 C ATOM 362 O GLU A 42 -14.517 10.890 -9.541 1.00 0.00 O ATOM 363 CB GLU A 42 -11.232 11.425 -10.354 1.00 0.00 C ATOM 364 CG GLU A 42 -11.941 12.134 -11.497 1.00 0.00 C ATOM 365 CD GLU A 42 -11.070 13.182 -12.161 1.00 0.00 C ATOM 366 OE1 GLU A 42 -10.205 12.804 -12.979 1.00 0.00 O ATOM 367 OE2 GLU A 42 -11.253 14.381 -11.863 1.00 0.00 O ATOM 0 H GLU A 42 -11.061 9.351 -8.718 1.00 0.00 H new ATOM 0 HA GLU A 42 -12.374 12.035 -8.686 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.415 12.054 -9.999 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.785 10.505 -10.731 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.249 11.399 -12.240 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.848 12.606 -11.120 1.00 0.00 H new ATOM 374 N LYS A 43 -13.165 9.155 -10.046 1.00 0.00 N ATOM 375 CA LYS A 43 -14.195 8.234 -10.432 1.00 0.00 C ATOM 376 C LYS A 43 -13.863 6.959 -9.687 1.00 0.00 C ATOM 377 O LYS A 43 -12.782 6.405 -9.876 1.00 0.00 O ATOM 378 CB LYS A 43 -14.189 7.999 -11.943 1.00 0.00 C ATOM 379 CG LYS A 43 -15.078 8.961 -12.714 1.00 0.00 C ATOM 380 CD LYS A 43 -14.310 10.195 -13.158 1.00 0.00 C ATOM 381 CE LYS A 43 -15.081 10.990 -14.200 1.00 0.00 C ATOM 382 NZ LYS A 43 -14.244 11.303 -15.391 1.00 0.00 N ATOM 0 H LYS A 43 -12.225 8.765 -10.116 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.190 8.608 -10.192 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.167 8.088 -12.312 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -14.513 6.978 -12.144 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.492 8.456 -13.586 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -15.920 9.260 -12.089 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.106 10.828 -12.294 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.345 9.896 -13.568 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.959 10.424 -14.512 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.441 11.918 -13.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.806 11.846 -16.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.419 11.865 -15.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.921 10.418 -15.831 1.00 0.00 H new ATOM 396 N GLY A 44 -14.754 6.518 -8.812 1.00 0.00 N ATOM 397 CA GLY A 44 -14.475 5.329 -8.029 1.00 0.00 C ATOM 398 C GLY A 44 -13.901 4.210 -8.868 1.00 0.00 C ATOM 399 O GLY A 44 -14.643 3.417 -9.447 1.00 0.00 O ATOM 0 H GLY A 44 -15.657 6.956 -8.630 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.775 5.578 -7.232 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.393 4.988 -7.552 1.00 0.00 H new ATOM 403 N VAL A 45 -12.574 4.168 -8.969 1.00 0.00 N ATOM 404 CA VAL A 45 -11.925 3.151 -9.792 1.00 0.00 C ATOM 405 C VAL A 45 -10.714 2.515 -9.115 1.00 0.00 C ATOM 406 O VAL A 45 -9.683 3.158 -8.945 1.00 0.00 O ATOM 407 CB VAL A 45 -11.468 3.764 -11.131 1.00 0.00 C ATOM 408 CG1 VAL A 45 -10.793 2.716 -12.006 1.00 0.00 C ATOM 409 CG2 VAL A 45 -12.645 4.400 -11.859 1.00 0.00 C ATOM 0 H VAL A 45 -11.938 4.813 -8.501 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.669 2.371 -9.952 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.737 4.544 -10.916 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.480 3.173 -12.945 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.921 2.316 -11.488 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.495 1.908 -12.212 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.302 4.827 -12.801 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -13.402 3.642 -12.058 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -13.074 5.187 -11.239 1.00 0.00 H new ATOM 419 N THR A 46 -10.824 1.232 -8.778 1.00 0.00 N ATOM 420 CA THR A 46 -9.708 0.513 -8.173 1.00 0.00 C ATOM 421 C THR A 46 -8.711 0.147 -9.265 1.00 0.00 C ATOM 422 O THR A 46 -9.053 -0.563 -10.210 1.00 0.00 O ATOM 423 CB THR A 46 -10.193 -0.748 -7.452 1.00 0.00 C ATOM 424 OG1 THR A 46 -11.303 -0.456 -6.621 1.00 0.00 O ATOM 425 CG2 THR A 46 -9.128 -1.392 -6.585 1.00 0.00 C ATOM 0 H THR A 46 -11.667 0.674 -8.912 1.00 0.00 H new ATOM 0 HA THR A 46 -9.229 1.153 -7.432 1.00 0.00 H new ATOM 0 HB THR A 46 -10.465 -1.445 -8.244 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.599 -1.275 -6.171 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.538 -2.280 -6.104 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.277 -1.676 -7.204 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.802 -0.684 -5.823 1.00 0.00 H new ATOM 433 N LEU A 47 -7.491 0.657 -9.156 1.00 0.00 N ATOM 434 CA LEU A 47 -6.477 0.396 -10.170 1.00 0.00 C ATOM 435 C LEU A 47 -5.455 -0.633 -9.713 1.00 0.00 C ATOM 436 O LEU A 47 -5.167 -1.588 -10.435 1.00 0.00 O ATOM 437 CB LEU A 47 -5.768 1.691 -10.559 1.00 0.00 C ATOM 438 CG LEU A 47 -6.684 2.899 -10.715 1.00 0.00 C ATOM 439 CD1 LEU A 47 -6.875 3.618 -9.389 1.00 0.00 C ATOM 440 CD2 LEU A 47 -6.136 3.851 -11.765 1.00 0.00 C ATOM 0 H LEU A 47 -7.181 1.248 -8.384 1.00 0.00 H new ATOM 0 HA LEU A 47 -6.993 -0.014 -11.038 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -5.016 1.918 -9.803 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.238 1.531 -11.498 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.659 2.541 -11.046 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.533 4.475 -9.531 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.320 2.935 -8.666 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.909 3.960 -9.018 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.803 4.708 -11.863 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.146 4.194 -11.464 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.065 3.335 -12.722 1.00 0.00 H new ATOM 452 N VAL A 48 -4.884 -0.434 -8.530 1.00 0.00 N ATOM 453 CA VAL A 48 -3.876 -1.354 -8.034 1.00 0.00 C ATOM 454 C VAL A 48 -4.203 -1.877 -6.637 1.00 0.00 C ATOM 455 O VAL A 48 -4.708 -1.151 -5.782 1.00 0.00 O ATOM 456 CB VAL A 48 -2.485 -0.684 -8.041 1.00 0.00 C ATOM 457 CG1 VAL A 48 -1.613 -1.194 -6.904 1.00 0.00 C ATOM 458 CG2 VAL A 48 -1.811 -0.907 -9.385 1.00 0.00 C ATOM 0 H VAL A 48 -5.100 0.345 -7.907 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.867 -2.212 -8.707 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.620 0.386 -7.887 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.642 -0.700 -6.941 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.095 -0.977 -5.951 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.477 -2.271 -7.005 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.830 -0.432 -9.383 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.696 -1.976 -9.561 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.423 -0.473 -10.176 1.00 0.00 H new ATOM 468 N SER A 49 -3.886 -3.150 -6.428 1.00 0.00 N ATOM 469 CA SER A 49 -4.108 -3.813 -5.152 1.00 0.00 C ATOM 470 C SER A 49 -3.058 -4.900 -4.954 1.00 0.00 C ATOM 471 O SER A 49 -3.003 -5.867 -5.714 1.00 0.00 O ATOM 472 CB SER A 49 -5.514 -4.409 -5.097 1.00 0.00 C ATOM 473 OG SER A 49 -5.704 -5.368 -6.123 1.00 0.00 O ATOM 0 H SER A 49 -3.468 -3.750 -7.139 1.00 0.00 H new ATOM 0 HA SER A 49 -4.019 -3.082 -4.349 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.677 -4.875 -4.125 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.253 -3.614 -5.197 1.00 0.00 H new ATOM 0 HG SER A 49 -4.861 -5.839 -6.291 1.00 0.00 H new ATOM 479 N ALA A 50 -2.208 -4.723 -3.949 1.00 0.00 N ATOM 480 CA ALA A 50 -1.139 -5.684 -3.683 1.00 0.00 C ATOM 481 C ALA A 50 -1.156 -6.190 -2.245 1.00 0.00 C ATOM 482 O ALA A 50 -1.753 -5.578 -1.361 1.00 0.00 O ATOM 483 CB ALA A 50 0.214 -5.060 -3.996 1.00 0.00 C ATOM 0 H ALA A 50 -2.236 -3.930 -3.308 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.310 -6.543 -4.332 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.004 -5.784 -3.795 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.247 -4.770 -5.046 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.361 -4.179 -3.372 1.00 0.00 H new ATOM 489 N SER A 51 -0.481 -7.317 -2.028 1.00 0.00 N ATOM 490 CA SER A 51 -0.390 -7.928 -0.707 1.00 0.00 C ATOM 491 C SER A 51 0.924 -8.691 -0.560 1.00 0.00 C ATOM 492 O SER A 51 1.256 -9.534 -1.392 1.00 0.00 O ATOM 493 CB SER A 51 -1.571 -8.873 -0.474 1.00 0.00 C ATOM 494 OG SER A 51 -2.245 -9.156 -1.688 1.00 0.00 O ATOM 0 H SER A 51 0.015 -7.828 -2.758 1.00 0.00 H new ATOM 0 HA SER A 51 -0.420 -7.135 0.040 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.215 -9.801 -0.027 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.266 -8.424 0.235 1.00 0.00 H new ATOM 0 HG SER A 51 -3.159 -8.806 -1.644 1.00 0.00 H new ATOM 500 N SER A 52 1.670 -8.390 0.499 1.00 0.00 N ATOM 501 CA SER A 52 2.949 -9.052 0.743 1.00 0.00 C ATOM 502 C SER A 52 2.780 -10.568 0.823 1.00 0.00 C ATOM 503 O SER A 52 3.711 -11.321 0.536 1.00 0.00 O ATOM 504 CB SER A 52 3.580 -8.532 2.036 1.00 0.00 C ATOM 505 OG SER A 52 3.574 -7.115 2.073 1.00 0.00 O ATOM 0 H SER A 52 1.413 -7.695 1.200 1.00 0.00 H new ATOM 0 HA SER A 52 3.607 -8.823 -0.095 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.034 -8.924 2.894 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.604 -8.897 2.117 1.00 0.00 H new ATOM 0 HG SER A 52 3.981 -6.808 2.910 1.00 0.00 H new ATOM 679 N GLU A 63 8.711 -6.698 7.332 1.00 0.00 N ATOM 680 CA GLU A 63 9.993 -6.695 6.636 1.00 0.00 C ATOM 681 C GLU A 63 9.807 -6.464 5.140 1.00 0.00 C ATOM 682 O GLU A 63 10.599 -5.766 4.507 1.00 0.00 O ATOM 683 CB GLU A 63 10.727 -8.017 6.872 1.00 0.00 C ATOM 684 CG GLU A 63 12.236 -7.910 6.723 1.00 0.00 C ATOM 685 CD GLU A 63 12.727 -8.415 5.381 1.00 0.00 C ATOM 686 OE1 GLU A 63 12.019 -8.207 4.373 1.00 0.00 O ATOM 687 OE2 GLU A 63 13.819 -9.020 5.338 1.00 0.00 O ATOM 0 HA GLU A 63 10.590 -5.876 7.037 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.494 -8.379 7.873 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.353 -8.761 6.169 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.537 -6.870 6.848 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.717 -8.478 7.519 1.00 0.00 H new ATOM 694 N VAL A 64 8.757 -7.055 4.578 1.00 0.00 N ATOM 695 CA VAL A 64 8.474 -6.910 3.154 1.00 0.00 C ATOM 696 C VAL A 64 7.498 -5.771 2.893 1.00 0.00 C ATOM 697 O VAL A 64 7.470 -5.222 1.794 1.00 0.00 O ATOM 698 CB VAL A 64 7.890 -8.205 2.553 1.00 0.00 C ATOM 699 CG1 VAL A 64 7.475 -7.988 1.100 1.00 0.00 C ATOM 700 CG2 VAL A 64 8.892 -9.344 2.664 1.00 0.00 C ATOM 0 H VAL A 64 8.090 -7.637 5.085 1.00 0.00 H new ATOM 0 HA VAL A 64 9.428 -6.690 2.675 1.00 0.00 H new ATOM 0 HB VAL A 64 7.000 -8.476 3.122 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.066 -8.914 0.696 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.718 -7.205 1.051 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.344 -7.689 0.514 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.463 -10.249 2.235 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.802 -9.082 2.123 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.131 -9.518 3.713 1.00 0.00 H new ATOM 710 N ALA A 65 6.690 -5.430 3.896 1.00 0.00 N ATOM 711 CA ALA A 65 5.698 -4.362 3.760 1.00 0.00 C ATOM 712 C ALA A 65 6.175 -3.265 2.815 1.00 0.00 C ATOM 713 O ALA A 65 5.415 -2.766 1.994 1.00 0.00 O ATOM 714 CB ALA A 65 5.362 -3.776 5.115 1.00 0.00 C ATOM 0 H ALA A 65 6.702 -5.878 4.812 1.00 0.00 H new ATOM 0 HA ALA A 65 4.799 -4.803 3.330 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.623 -2.983 4.996 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.956 -4.557 5.758 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.265 -3.365 5.568 1.00 0.00 H new ATOM 720 N ARG A 66 7.445 -2.912 2.916 1.00 0.00 N ATOM 721 CA ARG A 66 8.007 -1.894 2.043 1.00 0.00 C ATOM 722 C ARG A 66 8.034 -2.408 0.630 1.00 0.00 C ATOM 723 O ARG A 66 7.399 -1.855 -0.264 1.00 0.00 O ATOM 724 CB ARG A 66 9.410 -1.526 2.477 1.00 0.00 C ATOM 725 CG ARG A 66 9.631 -0.036 2.489 1.00 0.00 C ATOM 726 CD ARG A 66 10.796 0.361 1.614 1.00 0.00 C ATOM 727 NE ARG A 66 12.056 -0.228 2.067 1.00 0.00 N ATOM 728 CZ ARG A 66 12.618 -1.306 1.520 1.00 0.00 C ATOM 729 NH1 ARG A 66 12.036 -1.933 0.504 1.00 0.00 N ATOM 730 NH2 ARG A 66 13.769 -1.762 1.996 1.00 0.00 N ATOM 0 H ARG A 66 8.102 -3.310 3.587 1.00 0.00 H new ATOM 0 HA ARG A 66 7.384 -1.002 2.102 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.597 -1.927 3.473 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.130 -1.993 1.805 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.728 0.469 2.145 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.813 0.297 3.511 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.600 0.049 0.588 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.888 1.447 1.605 1.00 0.00 H new ATOM 0 HE ARG A 66 12.535 0.214 2.851 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.149 -1.591 0.134 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.476 -2.757 0.094 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.221 -1.288 2.778 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.202 -2.587 1.580 1.00 0.00 H new ATOM 744 N GLN A 67 8.756 -3.496 0.448 1.00 0.00 N ATOM 745 CA GLN A 67 8.846 -4.134 -0.851 1.00 0.00 C ATOM 746 C GLN A 67 7.443 -4.301 -1.426 1.00 0.00 C ATOM 747 O GLN A 67 7.253 -4.313 -2.644 1.00 0.00 O ATOM 748 CB GLN A 67 9.536 -5.495 -0.735 1.00 0.00 C ATOM 749 CG GLN A 67 11.049 -5.401 -0.628 1.00 0.00 C ATOM 750 CD GLN A 67 11.612 -6.275 0.476 1.00 0.00 C ATOM 751 OE1 GLN A 67 12.038 -7.404 0.234 1.00 0.00 O ATOM 752 NE2 GLN A 67 11.616 -5.754 1.697 1.00 0.00 N ATOM 0 H GLN A 67 9.290 -3.958 1.184 1.00 0.00 H new ATOM 0 HA GLN A 67 9.440 -3.508 -1.517 1.00 0.00 H new ATOM 0 HB2 GLN A 67 9.150 -6.016 0.141 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.278 -6.099 -1.605 1.00 0.00 H new ATOM 0 HG2 GLN A 67 11.495 -5.691 -1.579 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.333 -4.364 -0.446 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.253 -4.814 1.851 1.00 0.00 H new ATOM 0 HE22 GLN A 67 11.983 -6.294 2.481 1.00 0.00 H new ATOM 761 N VAL A 68 6.448 -4.398 -0.537 1.00 0.00 N ATOM 762 CA VAL A 68 5.076 -4.529 -0.992 1.00 0.00 C ATOM 763 C VAL A 68 4.581 -3.188 -1.510 1.00 0.00 C ATOM 764 O VAL A 68 3.841 -3.124 -2.491 1.00 0.00 O ATOM 765 CB VAL A 68 4.113 -5.089 0.094 1.00 0.00 C ATOM 766 CG1 VAL A 68 3.449 -3.997 0.932 1.00 0.00 C ATOM 767 CG2 VAL A 68 3.049 -5.940 -0.572 1.00 0.00 C ATOM 0 H VAL A 68 6.570 -4.388 0.476 1.00 0.00 H new ATOM 0 HA VAL A 68 5.075 -5.264 -1.797 1.00 0.00 H new ATOM 0 HB VAL A 68 4.715 -5.686 0.779 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.790 -4.455 1.670 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.215 -3.413 1.442 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.867 -3.343 0.282 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.372 -6.335 0.186 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.487 -5.331 -1.280 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.523 -6.767 -1.101 1.00 0.00 H new ATOM 777 N GLY A 69 5.024 -2.113 -0.856 1.00 0.00 N ATOM 778 CA GLY A 69 4.638 -0.788 -1.279 1.00 0.00 C ATOM 779 C GLY A 69 5.383 -0.378 -2.521 1.00 0.00 C ATOM 780 O GLY A 69 4.828 0.276 -3.384 1.00 0.00 O ATOM 0 H GLY A 69 5.641 -2.143 -0.044 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.565 -0.762 -1.469 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.838 -0.075 -0.479 1.00 0.00 H new ATOM 784 N ARG A 70 6.651 -0.770 -2.615 1.00 0.00 N ATOM 785 CA ARG A 70 7.450 -0.439 -3.785 1.00 0.00 C ATOM 786 C ARG A 70 6.821 -1.081 -5.004 1.00 0.00 C ATOM 787 O ARG A 70 6.809 -0.498 -6.084 1.00 0.00 O ATOM 788 CB ARG A 70 8.908 -0.887 -3.606 1.00 0.00 C ATOM 789 CG ARG A 70 9.155 -2.354 -3.921 1.00 0.00 C ATOM 790 CD ARG A 70 9.636 -2.544 -5.351 1.00 0.00 C ATOM 791 NE ARG A 70 10.730 -3.508 -5.436 1.00 0.00 N ATOM 792 CZ ARG A 70 10.589 -4.811 -5.204 1.00 0.00 C ATOM 793 NH1 ARG A 70 9.404 -5.309 -4.873 1.00 0.00 N ATOM 794 NH2 ARG A 70 11.636 -5.619 -5.304 1.00 0.00 N ATOM 0 H ARG A 70 7.140 -1.311 -1.902 1.00 0.00 H new ATOM 0 HA ARG A 70 7.467 0.643 -3.918 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.544 -0.278 -4.248 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.212 -0.692 -2.578 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.896 -2.756 -3.230 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.236 -2.920 -3.767 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.806 -2.882 -5.971 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.965 -1.586 -5.753 1.00 0.00 H new ATOM 0 HE ARG A 70 11.656 -3.162 -5.688 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.595 -4.692 -4.795 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.302 -6.308 -4.696 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.549 -5.242 -5.559 1.00 0.00 H new ATOM 0 HH22 ARG A 70 11.528 -6.618 -5.126 1.00 0.00 H new ATOM 808 N ALA A 71 6.266 -2.273 -4.810 1.00 0.00 N ATOM 809 CA ALA A 71 5.597 -2.976 -5.888 1.00 0.00 C ATOM 810 C ALA A 71 4.333 -2.229 -6.294 1.00 0.00 C ATOM 811 O ALA A 71 4.089 -2.010 -7.479 1.00 0.00 O ATOM 812 CB ALA A 71 5.261 -4.396 -5.470 1.00 0.00 C ATOM 0 H ALA A 71 6.268 -2.767 -3.918 1.00 0.00 H new ATOM 0 HA ALA A 71 6.269 -3.021 -6.745 1.00 0.00 H new ATOM 0 HB1 ALA A 71 4.760 -4.908 -6.291 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.178 -4.928 -5.217 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.603 -4.374 -4.601 1.00 0.00 H new ATOM 818 N LEU A 72 3.546 -1.812 -5.296 1.00 0.00 N ATOM 819 CA LEU A 72 2.319 -1.064 -5.544 1.00 0.00 C ATOM 820 C LEU A 72 2.668 0.251 -6.193 1.00 0.00 C ATOM 821 O LEU A 72 2.173 0.593 -7.263 1.00 0.00 O ATOM 822 CB LEU A 72 1.578 -0.791 -4.236 1.00 0.00 C ATOM 823 CG LEU A 72 0.888 -1.999 -3.612 1.00 0.00 C ATOM 824 CD1 LEU A 72 1.106 -2.012 -2.108 1.00 0.00 C ATOM 825 CD2 LEU A 72 -0.598 -1.988 -3.937 1.00 0.00 C ATOM 0 H LEU A 72 3.741 -1.983 -4.310 1.00 0.00 H new ATOM 0 HA LEU A 72 1.675 -1.653 -6.196 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.287 -0.386 -3.514 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.830 -0.019 -4.416 1.00 0.00 H new ATOM 0 HG LEU A 72 1.324 -2.905 -4.032 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.608 -2.880 -1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.174 -2.063 -1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.693 -1.102 -1.673 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.076 -2.857 -3.484 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.050 -1.078 -3.542 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.734 -2.021 -5.018 1.00 0.00 H new ATOM 837 N ALA A 73 3.555 0.970 -5.530 1.00 0.00 N ATOM 838 CA ALA A 73 4.024 2.251 -6.023 1.00 0.00 C ATOM 839 C ALA A 73 4.635 2.082 -7.393 1.00 0.00 C ATOM 840 O ALA A 73 4.638 3.007 -8.203 1.00 0.00 O ATOM 841 CB ALA A 73 5.020 2.874 -5.053 1.00 0.00 C ATOM 0 H ALA A 73 3.968 0.685 -4.642 1.00 0.00 H new ATOM 0 HA ALA A 73 3.174 2.929 -6.103 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.357 3.834 -5.444 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.540 3.025 -4.086 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.876 2.210 -4.934 1.00 0.00 H new ATOM 847 N GLU A 74 5.117 0.880 -7.660 1.00 0.00 N ATOM 848 CA GLU A 74 5.692 0.574 -8.945 1.00 0.00 C ATOM 849 C GLU A 74 4.567 0.377 -9.963 1.00 0.00 C ATOM 850 O GLU A 74 4.741 0.631 -11.155 1.00 0.00 O ATOM 851 CB GLU A 74 6.579 -0.656 -8.829 1.00 0.00 C ATOM 852 CG GLU A 74 8.057 -0.343 -8.972 1.00 0.00 C ATOM 853 CD GLU A 74 8.575 0.558 -7.867 1.00 0.00 C ATOM 854 OE1 GLU A 74 8.100 1.709 -7.768 1.00 0.00 O ATOM 855 OE2 GLU A 74 9.456 0.112 -7.102 1.00 0.00 O ATOM 0 H GLU A 74 5.118 0.104 -6.998 1.00 0.00 H new ATOM 0 HA GLU A 74 6.318 1.397 -9.289 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.407 -1.131 -7.863 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.291 -1.377 -9.594 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.623 -1.274 -8.971 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.231 0.135 -9.936 1.00 0.00 H new ATOM 862 N LYS A 75 3.393 -0.037 -9.467 1.00 0.00 N ATOM 863 CA LYS A 75 2.215 -0.219 -10.316 1.00 0.00 C ATOM 864 C LYS A 75 1.523 1.118 -10.518 1.00 0.00 C ATOM 865 O LYS A 75 1.429 1.625 -11.636 1.00 0.00 O ATOM 866 CB LYS A 75 1.205 -1.179 -9.684 1.00 0.00 C ATOM 867 CG LYS A 75 1.817 -2.326 -8.918 1.00 0.00 C ATOM 868 CD LYS A 75 0.773 -3.360 -8.527 1.00 0.00 C ATOM 869 CE LYS A 75 1.341 -4.388 -7.563 1.00 0.00 C ATOM 870 NZ LYS A 75 2.273 -5.331 -8.242 1.00 0.00 N ATOM 0 H LYS A 75 3.237 -0.251 -8.482 1.00 0.00 H new ATOM 0 HA LYS A 75 2.557 -0.635 -11.264 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.560 -0.614 -9.011 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.568 -1.584 -10.471 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.588 -2.799 -9.526 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.306 -1.945 -8.021 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.080 -2.861 -8.067 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.405 -3.863 -9.421 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.866 -3.877 -6.756 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.525 -4.949 -7.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.639 -6.016 -7.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.766 -5.837 -8.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.066 -4.799 -8.654 1.00 0.00 H new ATOM 884 N ALA A 76 1.041 1.684 -9.410 1.00 0.00 N ATOM 885 CA ALA A 76 0.354 2.973 -9.436 1.00 0.00 C ATOM 886 C ALA A 76 1.130 3.958 -10.290 1.00 0.00 C ATOM 887 O ALA A 76 0.564 4.701 -11.094 1.00 0.00 O ATOM 888 CB ALA A 76 0.186 3.530 -8.028 1.00 0.00 C ATOM 0 H ALA A 76 1.115 1.267 -8.482 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.636 2.822 -9.867 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.328 4.490 -8.075 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.400 2.833 -7.429 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.166 3.666 -7.571 1.00 0.00 H new ATOM 894 N LEU A 77 2.441 3.939 -10.117 1.00 0.00 N ATOM 895 CA LEU A 77 3.319 4.804 -10.876 1.00 0.00 C ATOM 896 C LEU A 77 3.119 4.612 -12.372 1.00 0.00 C ATOM 897 O LEU A 77 3.126 5.572 -13.142 1.00 0.00 O ATOM 898 CB LEU A 77 4.768 4.516 -10.513 1.00 0.00 C ATOM 899 CG LEU A 77 5.351 5.379 -9.399 1.00 0.00 C ATOM 900 CD1 LEU A 77 6.804 5.006 -9.160 1.00 0.00 C ATOM 901 CD2 LEU A 77 5.226 6.854 -9.748 1.00 0.00 C ATOM 0 H LEU A 77 2.919 3.330 -9.453 1.00 0.00 H new ATOM 0 HA LEU A 77 3.076 5.837 -10.627 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.849 3.470 -10.218 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.380 4.644 -11.406 1.00 0.00 H new ATOM 0 HG LEU A 77 4.789 5.198 -8.483 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.213 5.627 -8.363 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.868 3.957 -8.871 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.376 5.166 -10.074 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.647 7.455 -8.942 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.767 7.056 -10.672 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.174 7.109 -9.880 1.00 0.00 H new ATOM 913 N ALA A 78 2.943 3.360 -12.774 1.00 0.00 N ATOM 914 CA ALA A 78 2.740 3.025 -14.175 1.00 0.00 C ATOM 915 C ALA A 78 1.605 3.850 -14.777 1.00 0.00 C ATOM 916 O ALA A 78 1.577 4.101 -15.982 1.00 0.00 O ATOM 917 CB ALA A 78 2.471 1.541 -14.308 1.00 0.00 C ATOM 0 H ALA A 78 2.937 2.557 -12.145 1.00 0.00 H new ATOM 0 HA ALA A 78 3.645 3.268 -14.732 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.319 1.291 -15.358 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.322 0.981 -13.921 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.578 1.281 -13.740 1.00 0.00 H new ATOM 923 N LEU A 79 0.692 4.301 -13.921 1.00 0.00 N ATOM 924 CA LEU A 79 -0.420 5.132 -14.352 1.00 0.00 C ATOM 925 C LEU A 79 0.001 6.592 -14.284 1.00 0.00 C ATOM 926 O LEU A 79 -0.506 7.442 -15.017 1.00 0.00 O ATOM 927 CB LEU A 79 -1.647 4.932 -13.450 1.00 0.00 C ATOM 928 CG LEU A 79 -1.710 3.630 -12.648 1.00 0.00 C ATOM 929 CD1 LEU A 79 -2.248 3.909 -11.253 1.00 0.00 C ATOM 930 CD2 LEU A 79 -2.581 2.606 -13.361 1.00 0.00 C ATOM 0 H LEU A 79 0.704 4.102 -12.921 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.686 4.849 -15.370 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.692 5.765 -12.749 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.540 4.991 -14.073 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.704 3.219 -12.562 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.291 2.979 -10.687 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.591 4.614 -10.744 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.249 4.335 -11.327 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.614 1.687 -12.776 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.590 3.002 -13.473 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.163 2.395 -14.345 1.00 0.00 H new ATOM 942 N GLY A 80 0.926 6.863 -13.372 1.00 0.00 N ATOM 943 CA GLY A 80 1.418 8.203 -13.166 1.00 0.00 C ATOM 944 C GLY A 80 0.957 8.761 -11.837 1.00 0.00 C ATOM 945 O GLY A 80 1.033 9.967 -11.601 1.00 0.00 O ATOM 0 H GLY A 80 1.348 6.161 -12.763 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.507 8.202 -13.204 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.071 8.848 -13.973 1.00 0.00 H new ATOM 949 N ILE A 81 0.479 7.876 -10.962 1.00 0.00 N ATOM 950 CA ILE A 81 0.008 8.287 -9.651 1.00 0.00 C ATOM 951 C ILE A 81 1.163 8.804 -8.819 1.00 0.00 C ATOM 952 O ILE A 81 2.009 8.043 -8.349 1.00 0.00 O ATOM 953 CB ILE A 81 -0.728 7.134 -8.918 1.00 0.00 C ATOM 954 CG1 ILE A 81 -2.145 6.922 -9.491 1.00 0.00 C ATOM 955 CG2 ILE A 81 -0.811 7.401 -7.417 1.00 0.00 C ATOM 956 CD1 ILE A 81 -2.495 7.797 -10.680 1.00 0.00 C ATOM 0 H ILE A 81 0.410 6.874 -11.142 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.713 9.092 -9.791 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.148 6.226 -9.080 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.249 5.878 -9.785 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -2.872 7.104 -8.699 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.332 6.577 -6.929 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.195 7.488 -7.007 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.356 8.329 -7.242 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.510 7.574 -11.010 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.430 8.846 -10.391 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.797 7.601 -11.494 1.00 0.00 H new ATOM 968 N LYS A 82 1.190 10.116 -8.660 1.00 0.00 N ATOM 969 CA LYS A 82 2.221 10.776 -7.914 1.00 0.00 C ATOM 970 C LYS A 82 1.830 10.927 -6.452 1.00 0.00 C ATOM 971 O LYS A 82 2.537 10.469 -5.555 1.00 0.00 O ATOM 972 CB LYS A 82 2.468 12.139 -8.534 1.00 0.00 C ATOM 973 CG LYS A 82 3.735 12.757 -8.041 1.00 0.00 C ATOM 974 CD LYS A 82 4.353 13.696 -9.066 1.00 0.00 C ATOM 975 CE LYS A 82 4.358 15.135 -8.574 1.00 0.00 C ATOM 976 NZ LYS A 82 3.164 15.890 -9.045 1.00 0.00 N ATOM 0 H LYS A 82 0.490 10.747 -9.050 1.00 0.00 H new ATOM 0 HA LYS A 82 3.130 10.176 -7.950 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.510 12.041 -9.619 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.630 12.798 -8.306 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.535 13.307 -7.121 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.449 11.971 -7.794 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.374 13.380 -9.281 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.797 13.632 -10.001 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.387 15.145 -7.484 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.263 15.634 -8.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 3.207 16.866 -8.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.149 15.903 -10.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.301 15.430 -8.692 1.00 0.00 H new ATOM 990 N GLN A 83 0.694 11.570 -6.224 1.00 0.00 N ATOM 991 CA GLN A 83 0.189 11.786 -4.878 1.00 0.00 C ATOM 992 C GLN A 83 -1.101 11.010 -4.669 1.00 0.00 C ATOM 993 O GLN A 83 -1.903 10.865 -5.592 1.00 0.00 O ATOM 994 CB GLN A 83 -0.049 13.277 -4.628 1.00 0.00 C ATOM 995 CG GLN A 83 0.785 13.833 -3.490 1.00 0.00 C ATOM 996 CD GLN A 83 -0.046 14.209 -2.279 1.00 0.00 C ATOM 997 OE1 GLN A 83 -1.173 14.687 -2.408 1.00 0.00 O ATOM 998 NE2 GLN A 83 0.510 13.994 -1.091 1.00 0.00 N ATOM 0 H GLN A 83 0.102 11.953 -6.960 1.00 0.00 H new ATOM 0 HA GLN A 83 0.935 11.428 -4.168 1.00 0.00 H new ATOM 0 HB2 GLN A 83 0.175 13.832 -5.539 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -1.104 13.438 -4.409 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.530 13.094 -3.197 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.327 14.712 -3.839 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.447 13.596 -1.031 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -0.000 14.227 -0.239 1.00 0.00 H new ATOM 1007 N VAL A 84 -1.298 10.505 -3.460 1.00 0.00 N ATOM 1008 CA VAL A 84 -2.497 9.739 -3.157 1.00 0.00 C ATOM 1009 C VAL A 84 -3.200 10.266 -1.913 1.00 0.00 C ATOM 1010 O VAL A 84 -2.608 10.974 -1.098 1.00 0.00 O ATOM 1011 CB VAL A 84 -2.198 8.235 -2.957 1.00 0.00 C ATOM 1012 CG1 VAL A 84 -3.237 7.392 -3.663 1.00 0.00 C ATOM 1013 CG2 VAL A 84 -0.813 7.866 -3.453 1.00 0.00 C ATOM 0 H VAL A 84 -0.650 10.610 -2.680 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.149 9.856 -4.022 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.236 8.035 -1.886 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.012 6.336 -3.513 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.224 7.615 -3.256 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.225 7.617 -4.729 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.642 6.801 -3.295 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.735 8.092 -4.516 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.065 8.439 -2.905 1.00 0.00 H new ATOM 1023 N ALA A 85 -4.466 9.897 -1.774 1.00 0.00 N ATOM 1024 CA ALA A 85 -5.270 10.305 -0.631 1.00 0.00 C ATOM 1025 C ALA A 85 -5.439 9.137 0.330 1.00 0.00 C ATOM 1026 O ALA A 85 -6.218 8.220 0.074 1.00 0.00 O ATOM 1027 CB ALA A 85 -6.627 10.815 -1.092 1.00 0.00 C ATOM 0 H ALA A 85 -4.962 9.311 -2.445 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.758 11.115 -0.112 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.216 11.116 -0.226 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.489 11.671 -1.752 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.150 10.024 -1.629 1.00 0.00 H new ATOM 1033 N PHE A 86 -4.695 9.163 1.428 1.00 0.00 N ATOM 1034 CA PHE A 86 -4.759 8.089 2.408 1.00 0.00 C ATOM 1035 C PHE A 86 -5.948 8.256 3.346 1.00 0.00 C ATOM 1036 O PHE A 86 -5.960 9.135 4.208 1.00 0.00 O ATOM 1037 CB PHE A 86 -3.460 8.019 3.210 1.00 0.00 C ATOM 1038 CG PHE A 86 -2.936 6.621 3.358 1.00 0.00 C ATOM 1039 CD1 PHE A 86 -2.315 5.984 2.296 1.00 0.00 C ATOM 1040 CD2 PHE A 86 -3.070 5.941 4.558 1.00 0.00 C ATOM 1041 CE1 PHE A 86 -1.838 4.694 2.428 1.00 0.00 C ATOM 1042 CE2 PHE A 86 -2.594 4.652 4.696 1.00 0.00 C ATOM 1043 CZ PHE A 86 -1.977 4.027 3.631 1.00 0.00 C ATOM 0 H PHE A 86 -4.044 9.912 1.661 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.891 7.154 1.863 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.704 8.634 2.721 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.627 8.445 4.199 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.203 6.501 1.355 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.552 6.425 5.395 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.357 4.207 1.592 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -2.704 4.133 5.637 1.00 0.00 H new ATOM 0 HZ PHE A 86 -1.604 3.019 3.737 1.00 0.00 H new ATOM 1053 N ASP A 87 -6.943 7.393 3.172 1.00 0.00 N ATOM 1054 CA ASP A 87 -8.141 7.419 3.998 1.00 0.00 C ATOM 1055 C ASP A 87 -8.427 6.027 4.551 1.00 0.00 C ATOM 1056 O ASP A 87 -9.561 5.549 4.513 1.00 0.00 O ATOM 1057 CB ASP A 87 -9.337 7.921 3.188 1.00 0.00 C ATOM 1058 CG ASP A 87 -10.266 8.794 4.007 1.00 0.00 C ATOM 1059 OD1 ASP A 87 -9.884 9.943 4.315 1.00 0.00 O ATOM 1060 OD2 ASP A 87 -11.376 8.329 4.343 1.00 0.00 O ATOM 0 H ASP A 87 -6.941 6.662 2.460 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.975 8.102 4.831 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.978 8.485 2.327 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.893 7.068 2.800 1.00 0.00 H new ATOM 1065 N ARG A 88 -7.378 5.382 5.057 1.00 0.00 N ATOM 1066 CA ARG A 88 -7.482 4.037 5.620 1.00 0.00 C ATOM 1067 C ARG A 88 -8.744 3.877 6.465 1.00 0.00 C ATOM 1068 O ARG A 88 -9.343 2.802 6.506 1.00 0.00 O ATOM 1069 CB ARG A 88 -6.248 3.735 6.470 1.00 0.00 C ATOM 1070 CG ARG A 88 -5.997 4.772 7.554 1.00 0.00 C ATOM 1071 CD ARG A 88 -4.533 4.819 7.957 1.00 0.00 C ATOM 1072 NE ARG A 88 -4.091 6.181 8.247 1.00 0.00 N ATOM 1073 CZ ARG A 88 -2.821 6.579 8.193 1.00 0.00 C ATOM 1074 NH1 ARG A 88 -1.861 5.722 7.866 1.00 0.00 N ATOM 1075 NH2 ARG A 88 -2.510 7.838 8.467 1.00 0.00 N ATOM 0 H ARG A 88 -6.437 5.774 5.089 1.00 0.00 H new ATOM 0 HA ARG A 88 -7.542 3.331 4.792 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -6.365 2.756 6.934 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.374 3.678 5.822 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -6.308 5.754 7.198 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -6.608 4.541 8.427 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.378 4.192 8.835 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.922 4.402 7.156 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.798 6.869 8.507 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -2.094 4.752 7.654 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -0.891 6.034 7.827 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.243 8.501 8.719 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -1.538 8.144 8.426 1.00 0.00 H new ATOM 1089 N GLY A 89 -9.142 4.953 7.137 1.00 0.00 N ATOM 1090 CA GLY A 89 -10.329 4.909 7.970 1.00 0.00 C ATOM 1091 C GLY A 89 -9.999 4.821 9.450 1.00 0.00 C ATOM 1092 O GLY A 89 -9.376 5.729 9.999 1.00 0.00 O ATOM 0 H GLY A 89 -8.664 5.854 7.119 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -10.930 5.800 7.788 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.937 4.050 7.685 1.00 0.00 H new ATOM 1096 N PRO A 90 -10.407 3.734 10.131 1.00 0.00 N ATOM 1097 CA PRO A 90 -10.146 3.550 11.555 1.00 0.00 C ATOM 1098 C PRO A 90 -8.813 2.856 11.825 1.00 0.00 C ATOM 1099 O PRO A 90 -8.603 2.297 12.902 1.00 0.00 O ATOM 1100 CB PRO A 90 -11.307 2.657 11.980 1.00 0.00 C ATOM 1101 CG PRO A 90 -11.576 1.799 10.788 1.00 0.00 C ATOM 1102 CD PRO A 90 -11.162 2.597 9.571 1.00 0.00 C ATOM 0 HA PRO A 90 -10.077 4.495 12.093 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -11.047 2.056 12.851 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -12.183 3.247 12.250 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -11.014 0.867 10.848 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -12.631 1.532 10.734 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -10.547 2.004 8.895 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -12.028 2.934 9.001 1.00 0.00 H new ATOM 1110 N TYR A 91 -7.918 2.890 10.843 1.00 0.00 N ATOM 1111 CA TYR A 91 -6.611 2.260 10.979 1.00 0.00 C ATOM 1112 C TYR A 91 -5.648 3.150 11.755 1.00 0.00 C ATOM 1113 O TYR A 91 -5.607 4.363 11.553 1.00 0.00 O ATOM 1114 CB TYR A 91 -6.026 1.947 9.601 1.00 0.00 C ATOM 1115 CG TYR A 91 -6.458 0.610 9.045 1.00 0.00 C ATOM 1116 CD1 TYR A 91 -7.736 0.115 9.279 1.00 0.00 C ATOM 1117 CD2 TYR A 91 -5.587 -0.157 8.286 1.00 0.00 C ATOM 1118 CE1 TYR A 91 -8.131 -1.108 8.772 1.00 0.00 C ATOM 1119 CE2 TYR A 91 -5.973 -1.379 7.774 1.00 0.00 C ATOM 1120 CZ TYR A 91 -7.246 -1.851 8.020 1.00 0.00 C ATOM 1121 OH TYR A 91 -7.634 -3.070 7.513 1.00 0.00 O ATOM 0 H TYR A 91 -8.075 3.347 9.945 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.746 1.331 11.534 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.321 2.732 8.905 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.938 1.969 9.665 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -8.431 0.696 9.867 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.589 0.208 8.092 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -9.127 -1.480 8.964 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -5.282 -1.963 7.184 1.00 0.00 H new ATOM 0 HH TYR A 91 -8.314 -2.935 6.820 1.00 0.00 H new ATOM 1131 N LYS A 92 -4.870 2.534 12.636 1.00 0.00 N ATOM 1132 CA LYS A 92 -3.898 3.264 13.437 1.00 0.00 C ATOM 1133 C LYS A 92 -2.483 2.960 12.960 1.00 0.00 C ATOM 1134 O LYS A 92 -2.215 1.880 12.435 1.00 0.00 O ATOM 1135 CB LYS A 92 -4.042 2.898 14.915 1.00 0.00 C ATOM 1136 CG LYS A 92 -3.302 3.841 15.849 1.00 0.00 C ATOM 1137 CD LYS A 92 -4.078 5.129 16.073 1.00 0.00 C ATOM 1138 CE LYS A 92 -3.512 6.272 15.247 1.00 0.00 C ATOM 1139 NZ LYS A 92 -4.441 7.435 15.198 1.00 0.00 N ATOM 0 H LYS A 92 -4.894 1.530 12.813 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.087 4.331 13.320 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -5.100 2.894 15.179 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.672 1.884 15.068 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.131 3.347 16.806 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -2.322 4.074 15.431 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -5.125 4.974 15.812 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -4.049 5.393 17.130 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -2.558 6.587 15.669 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -3.313 5.924 14.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -4.018 8.193 14.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -5.343 7.141 14.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -4.611 7.784 16.163 1.00 0.00 H new ATOM 1153 N TYR A 93 -1.579 3.917 13.145 1.00 0.00 N ATOM 1154 CA TYR A 93 -0.189 3.749 12.733 1.00 0.00 C ATOM 1155 C TYR A 93 0.353 2.400 13.203 1.00 0.00 C ATOM 1156 O TYR A 93 0.608 2.203 14.391 1.00 0.00 O ATOM 1157 CB TYR A 93 0.663 4.891 13.297 1.00 0.00 C ATOM 1158 CG TYR A 93 1.854 5.269 12.439 1.00 0.00 C ATOM 1159 CD1 TYR A 93 1.807 5.168 11.052 1.00 0.00 C ATOM 1160 CD2 TYR A 93 3.026 5.734 13.022 1.00 0.00 C ATOM 1161 CE1 TYR A 93 2.895 5.517 10.274 1.00 0.00 C ATOM 1162 CE2 TYR A 93 4.117 6.087 12.250 1.00 0.00 C ATOM 1163 CZ TYR A 93 4.047 5.976 10.877 1.00 0.00 C ATOM 1164 OH TYR A 93 5.131 6.326 10.106 1.00 0.00 O ATOM 0 H TYR A 93 -1.784 4.818 13.578 1.00 0.00 H new ATOM 0 HA TYR A 93 -0.142 3.775 11.644 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.031 5.770 13.426 1.00 0.00 H new ATOM 0 HB3 TYR A 93 1.020 4.607 14.287 1.00 0.00 H new ATOM 0 HD1 TYR A 93 0.906 4.811 10.576 1.00 0.00 H new ATOM 0 HD2 TYR A 93 3.086 5.821 14.097 1.00 0.00 H new ATOM 0 HE1 TYR A 93 2.843 5.431 9.199 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.020 6.448 12.720 1.00 0.00 H new ATOM 0 HH TYR A 93 5.860 6.630 10.686 1.00 0.00 H new ATOM 1174 N HIS A 94 0.512 1.469 12.264 1.00 0.00 N ATOM 1175 CA HIS A 94 1.010 0.134 12.587 1.00 0.00 C ATOM 1176 C HIS A 94 2.258 -0.204 11.778 1.00 0.00 C ATOM 1177 O HIS A 94 2.569 0.460 10.790 1.00 0.00 O ATOM 1178 CB HIS A 94 -0.076 -0.912 12.330 1.00 0.00 C ATOM 1179 CG HIS A 94 -0.095 -2.015 13.342 1.00 0.00 C ATOM 1180 ND1 HIS A 94 0.187 -1.816 14.678 1.00 0.00 N ATOM 1181 CD2 HIS A 94 -0.366 -3.336 13.210 1.00 0.00 C ATOM 1182 CE1 HIS A 94 0.092 -2.965 15.322 1.00 0.00 C ATOM 1183 NE2 HIS A 94 -0.242 -3.903 14.455 1.00 0.00 N ATOM 0 H HIS A 94 0.304 1.614 11.276 1.00 0.00 H new ATOM 0 HA HIS A 94 1.277 0.124 13.644 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -1.049 -0.420 12.322 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.072 -1.341 11.339 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -0.630 -3.848 12.296 1.00 0.00 H new ATOM 0 HE1 HIS A 94 0.259 -3.112 16.379 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -0.385 -4.889 14.674 1.00 0.00 H new ATOM 1192 N GLY A 95 2.971 -1.242 12.212 1.00 0.00 N ATOM 1193 CA GLY A 95 4.187 -1.659 11.530 1.00 0.00 C ATOM 1194 C GLY A 95 4.039 -1.702 10.020 1.00 0.00 C ATOM 1195 O GLY A 95 4.932 -1.268 9.292 1.00 0.00 O ATOM 0 H GLY A 95 2.727 -1.804 13.027 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.995 -0.975 11.790 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.477 -2.647 11.889 1.00 0.00 H new ATOM 1199 N ARG A 96 2.912 -2.224 9.548 1.00 0.00 N ATOM 1200 CA ARG A 96 2.659 -2.316 8.114 1.00 0.00 C ATOM 1201 C ARG A 96 2.724 -0.936 7.466 1.00 0.00 C ATOM 1202 O ARG A 96 3.655 -0.637 6.721 1.00 0.00 O ATOM 1203 CB ARG A 96 1.296 -2.960 7.851 1.00 0.00 C ATOM 1204 CG ARG A 96 1.011 -4.166 8.734 1.00 0.00 C ATOM 1205 CD ARG A 96 0.759 -5.418 7.908 1.00 0.00 C ATOM 1206 NE ARG A 96 0.286 -6.530 8.729 1.00 0.00 N ATOM 1207 CZ ARG A 96 1.064 -7.224 9.556 1.00 0.00 C ATOM 1208 NH1 ARG A 96 2.352 -6.924 9.675 1.00 0.00 N ATOM 1209 NH2 ARG A 96 0.554 -8.220 10.267 1.00 0.00 N ATOM 0 H ARG A 96 2.161 -2.589 10.135 1.00 0.00 H new ATOM 0 HA ARG A 96 3.433 -2.943 7.671 1.00 0.00 H new ATOM 0 HB2 ARG A 96 0.516 -2.215 8.005 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.243 -3.265 6.806 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.854 -4.335 9.403 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.143 -3.962 9.360 1.00 0.00 H new ATOM 0 HD2 ARG A 96 0.023 -5.200 7.135 1.00 0.00 H new ATOM 0 HD3 ARG A 96 1.679 -5.708 7.400 1.00 0.00 H new ATOM 0 HE ARG A 96 -0.698 -6.790 8.665 1.00 0.00 H new ATOM 0 HH11 ARG A 96 2.750 -6.158 9.131 1.00 0.00 H new ATOM 0 HH12 ARG A 96 2.944 -7.459 10.310 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -0.435 -8.454 10.180 1.00 0.00 H new ATOM 0 HH22 ARG A 96 1.151 -8.752 10.901 1.00 0.00 H new ATOM 1223 N VAL A 97 1.728 -0.100 7.762 1.00 0.00 N ATOM 1224 CA VAL A 97 1.657 1.258 7.221 1.00 0.00 C ATOM 1225 C VAL A 97 3.028 1.904 7.127 1.00 0.00 C ATOM 1226 O VAL A 97 3.329 2.593 6.164 1.00 0.00 O ATOM 1227 CB VAL A 97 0.764 2.160 8.088 1.00 0.00 C ATOM 1228 CG1 VAL A 97 0.549 3.509 7.419 1.00 0.00 C ATOM 1229 CG2 VAL A 97 -0.556 1.475 8.368 1.00 0.00 C ATOM 0 H VAL A 97 0.953 -0.343 8.379 1.00 0.00 H new ATOM 0 HA VAL A 97 1.232 1.161 6.222 1.00 0.00 H new ATOM 0 HB VAL A 97 1.266 2.337 9.039 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.086 4.131 8.050 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.511 4.001 7.275 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.068 3.363 6.452 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.179 2.124 8.983 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.065 1.268 7.427 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.375 0.539 8.896 1.00 0.00 H new ATOM 1239 N LYS A 98 3.855 1.690 8.136 1.00 0.00 N ATOM 1240 CA LYS A 98 5.185 2.272 8.144 1.00 0.00 C ATOM 1241 C LYS A 98 5.994 1.797 6.942 1.00 0.00 C ATOM 1242 O LYS A 98 6.149 2.522 5.958 1.00 0.00 O ATOM 1243 CB LYS A 98 5.911 1.927 9.442 1.00 0.00 C ATOM 1244 CG LYS A 98 6.193 3.146 10.298 1.00 0.00 C ATOM 1245 CD LYS A 98 5.668 2.981 11.713 1.00 0.00 C ATOM 1246 CE LYS A 98 4.168 2.745 11.735 1.00 0.00 C ATOM 1247 NZ LYS A 98 3.764 1.925 12.909 1.00 0.00 N ATOM 0 H LYS A 98 3.631 1.122 8.953 1.00 0.00 H new ATOM 0 HA LYS A 98 5.081 3.355 8.079 1.00 0.00 H new ATOM 0 HB2 LYS A 98 5.310 1.219 10.012 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.851 1.429 9.206 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.267 3.327 10.329 1.00 0.00 H new ATOM 0 HG3 LYS A 98 5.735 4.023 9.841 1.00 0.00 H new ATOM 0 HD2 LYS A 98 6.175 2.144 12.193 1.00 0.00 H new ATOM 0 HD3 LYS A 98 5.904 3.872 12.294 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.648 3.703 11.762 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.864 2.243 10.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.728 1.937 13.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 4.089 0.946 12.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.193 2.318 13.771 1.00 0.00 H new ATOM 1261 N ALA A 99 6.506 0.578 7.030 1.00 0.00 N ATOM 1262 CA ALA A 99 7.303 0.004 5.957 1.00 0.00 C ATOM 1263 C ALA A 99 6.532 -0.035 4.640 1.00 0.00 C ATOM 1264 O ALA A 99 7.110 0.152 3.574 1.00 0.00 O ATOM 1265 CB ALA A 99 7.765 -1.394 6.337 1.00 0.00 C ATOM 0 H ALA A 99 6.383 -0.034 7.837 1.00 0.00 H new ATOM 0 HA ALA A 99 8.174 0.644 5.812 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.361 -1.813 5.526 1.00 0.00 H new ATOM 0 HB2 ALA A 99 8.369 -1.344 7.243 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.897 -2.028 6.515 1.00 0.00 H new ATOM 1271 N LEU A 100 5.227 -0.274 4.719 1.00 0.00 N ATOM 1272 CA LEU A 100 4.392 -0.343 3.538 1.00 0.00 C ATOM 1273 C LEU A 100 4.283 1.009 2.869 1.00 0.00 C ATOM 1274 O LEU A 100 4.457 1.139 1.657 1.00 0.00 O ATOM 1275 CB LEU A 100 2.994 -0.831 3.917 1.00 0.00 C ATOM 1276 CG LEU A 100 1.950 -0.674 2.818 1.00 0.00 C ATOM 1277 CD1 LEU A 100 0.987 -1.849 2.823 1.00 0.00 C ATOM 1278 CD2 LEU A 100 1.195 0.644 2.963 1.00 0.00 C ATOM 0 H LEU A 100 4.728 -0.423 5.596 1.00 0.00 H new ATOM 0 HA LEU A 100 4.853 -1.042 2.840 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.054 -1.883 4.196 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.659 -0.285 4.799 1.00 0.00 H new ATOM 0 HG LEU A 100 2.469 -0.659 1.860 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.249 -1.718 2.031 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.540 -2.773 2.655 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.480 -1.900 3.787 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.457 0.730 2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.691 0.670 3.929 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.898 1.475 2.898 1.00 0.00 H new ATOM 1290 N ALA A 101 3.969 2.006 3.669 1.00 0.00 N ATOM 1291 CA ALA A 101 3.803 3.353 3.161 1.00 0.00 C ATOM 1292 C ALA A 101 5.088 3.865 2.534 1.00 0.00 C ATOM 1293 O ALA A 101 5.040 4.646 1.586 1.00 0.00 O ATOM 1294 CB ALA A 101 3.296 4.275 4.249 1.00 0.00 C ATOM 0 H ALA A 101 3.823 1.910 4.674 1.00 0.00 H new ATOM 0 HA ALA A 101 3.051 3.333 2.372 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.178 5.281 3.847 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.334 3.914 4.612 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.011 4.294 5.072 1.00 0.00 H new ATOM 1300 N GLU A 102 6.241 3.397 3.018 1.00 0.00 N ATOM 1301 CA GLU A 102 7.497 3.817 2.408 1.00 0.00 C ATOM 1302 C GLU A 102 7.578 3.183 1.035 1.00 0.00 C ATOM 1303 O GLU A 102 7.891 3.846 0.067 1.00 0.00 O ATOM 1304 CB GLU A 102 8.748 3.460 3.227 1.00 0.00 C ATOM 1305 CG GLU A 102 8.469 2.889 4.611 1.00 0.00 C ATOM 1306 CD GLU A 102 9.734 2.441 5.318 1.00 0.00 C ATOM 1307 OE1 GLU A 102 10.747 2.203 4.628 1.00 0.00 O ATOM 1308 OE2 GLU A 102 9.710 2.328 6.562 1.00 0.00 O ATOM 0 H GLU A 102 6.329 2.750 3.802 1.00 0.00 H new ATOM 0 HA GLU A 102 7.490 4.906 2.356 1.00 0.00 H new ATOM 0 HB2 GLU A 102 9.338 2.737 2.664 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.360 4.355 3.336 1.00 0.00 H new ATOM 0 HG2 GLU A 102 7.965 3.642 5.217 1.00 0.00 H new ATOM 0 HG3 GLU A 102 7.787 2.043 4.521 1.00 0.00 H new ATOM 1315 N GLY A 103 7.234 1.899 0.948 1.00 0.00 N ATOM 1316 CA GLY A 103 7.227 1.224 -0.340 1.00 0.00 C ATOM 1317 C GLY A 103 6.489 2.042 -1.363 1.00 0.00 C ATOM 1318 O GLY A 103 7.011 2.392 -2.420 1.00 0.00 O ATOM 0 H GLY A 103 6.962 1.318 1.741 1.00 0.00 H new ATOM 0 HA2 GLY A 103 8.251 1.054 -0.673 1.00 0.00 H new ATOM 0 HA3 GLY A 103 6.757 0.246 -0.241 1.00 0.00 H new ATOM 1322 N ALA A 104 5.242 2.325 -1.016 1.00 0.00 N ATOM 1323 CA ALA A 104 4.353 3.091 -1.858 1.00 0.00 C ATOM 1324 C ALA A 104 4.857 4.520 -2.028 1.00 0.00 C ATOM 1325 O ALA A 104 4.660 5.137 -3.070 1.00 0.00 O ATOM 1326 CB ALA A 104 2.952 3.073 -1.274 1.00 0.00 C ATOM 0 H ALA A 104 4.822 2.025 -0.136 1.00 0.00 H new ATOM 0 HA ALA A 104 4.326 2.635 -2.847 1.00 0.00 H new ATOM 0 HB1 ALA A 104 2.284 3.652 -1.912 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.596 2.045 -1.215 1.00 0.00 H new ATOM 0 HB3 ALA A 104 2.968 3.510 -0.275 1.00 0.00 H new ATOM 1332 N ARG A 105 5.529 5.041 -1.003 1.00 0.00 N ATOM 1333 CA ARG A 105 6.075 6.397 -1.056 1.00 0.00 C ATOM 1334 C ARG A 105 7.495 6.386 -1.615 1.00 0.00 C ATOM 1335 O ARG A 105 7.959 7.372 -2.188 1.00 0.00 O ATOM 1336 CB ARG A 105 6.045 7.047 0.335 1.00 0.00 C ATOM 1337 CG ARG A 105 6.918 8.289 0.468 1.00 0.00 C ATOM 1338 CD ARG A 105 6.382 9.443 -0.365 1.00 0.00 C ATOM 1339 NE ARG A 105 7.284 9.792 -1.461 1.00 0.00 N ATOM 1340 CZ ARG A 105 8.383 10.526 -1.310 1.00 0.00 C ATOM 1341 NH1 ARG A 105 8.721 10.992 -0.114 1.00 0.00 N ATOM 1342 NH2 ARG A 105 9.148 10.796 -2.359 1.00 0.00 N ATOM 0 H ARG A 105 5.708 4.547 -0.129 1.00 0.00 H new ATOM 0 HA ARG A 105 5.451 6.990 -1.724 1.00 0.00 H new ATOM 0 HB2 ARG A 105 5.016 7.313 0.576 1.00 0.00 H new ATOM 0 HB3 ARG A 105 6.365 6.312 1.073 1.00 0.00 H new ATOM 0 HG2 ARG A 105 6.969 8.588 1.515 1.00 0.00 H new ATOM 0 HG3 ARG A 105 7.935 8.055 0.154 1.00 0.00 H new ATOM 0 HD2 ARG A 105 5.406 9.175 -0.770 1.00 0.00 H new ATOM 0 HD3 ARG A 105 6.234 10.314 0.274 1.00 0.00 H new ATOM 0 HE ARG A 105 7.058 9.453 -2.396 1.00 0.00 H new ATOM 0 HH11 ARG A 105 8.137 10.788 0.697 1.00 0.00 H new ATOM 0 HH12 ARG A 105 9.565 11.554 -0.006 1.00 0.00 H new ATOM 0 HH21 ARG A 105 8.893 10.441 -3.281 1.00 0.00 H new ATOM 0 HH22 ARG A 105 9.991 11.359 -2.244 1.00 0.00 H new ATOM 1356 N GLU A 106 8.171 5.257 -1.456 1.00 0.00 N ATOM 1357 CA GLU A 106 9.525 5.091 -1.947 1.00 0.00 C ATOM 1358 C GLU A 106 9.458 4.780 -3.436 1.00 0.00 C ATOM 1359 O GLU A 106 10.281 5.243 -4.226 1.00 0.00 O ATOM 1360 CB GLU A 106 10.230 3.955 -1.180 1.00 0.00 C ATOM 1361 CG GLU A 106 10.096 2.583 -1.826 1.00 0.00 C ATOM 1362 CD GLU A 106 11.008 1.549 -1.197 1.00 0.00 C ATOM 1363 OE1 GLU A 106 11.848 1.931 -0.354 1.00 0.00 O ATOM 1364 OE2 GLU A 106 10.887 0.358 -1.551 1.00 0.00 O ATOM 0 H GLU A 106 7.795 4.435 -0.984 1.00 0.00 H new ATOM 0 HA GLU A 106 10.100 6.004 -1.791 1.00 0.00 H new ATOM 0 HB2 GLU A 106 11.289 4.198 -1.087 1.00 0.00 H new ATOM 0 HB3 GLU A 106 9.824 3.909 -0.169 1.00 0.00 H new ATOM 0 HG2 GLU A 106 9.062 2.247 -1.745 1.00 0.00 H new ATOM 0 HG3 GLU A 106 10.323 2.663 -2.889 1.00 0.00 H new ATOM 1371 N GLY A 107 8.445 3.994 -3.802 1.00 0.00 N ATOM 1372 CA GLY A 107 8.248 3.629 -5.187 1.00 0.00 C ATOM 1373 C GLY A 107 7.868 4.837 -6.034 1.00 0.00 C ATOM 1374 O GLY A 107 8.467 5.063 -7.084 1.00 0.00 O ATOM 0 H GLY A 107 7.758 3.605 -3.157 1.00 0.00 H new ATOM 0 HA2 GLY A 107 9.161 3.181 -5.580 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.466 2.873 -5.257 1.00 0.00 H new ATOM 1378 N GLY A 108 6.891 5.635 -5.573 1.00 0.00 N ATOM 1379 CA GLY A 108 6.501 6.821 -6.331 1.00 0.00 C ATOM 1380 C GLY A 108 5.331 7.609 -5.742 1.00 0.00 C ATOM 1381 O GLY A 108 5.231 8.817 -5.958 1.00 0.00 O ATOM 0 H GLY A 108 6.375 5.483 -4.707 1.00 0.00 H new ATOM 0 HA2 GLY A 108 7.363 7.484 -6.409 1.00 0.00 H new ATOM 0 HA3 GLY A 108 6.241 6.516 -7.345 1.00 0.00 H new ATOM 1385 N LEU A 109 4.428 6.934 -5.037 1.00 0.00 N ATOM 1386 CA LEU A 109 3.247 7.580 -4.466 1.00 0.00 C ATOM 1387 C LEU A 109 3.564 8.490 -3.290 1.00 0.00 C ATOM 1388 O LEU A 109 4.461 8.225 -2.499 1.00 0.00 O ATOM 1389 CB LEU A 109 2.253 6.517 -4.015 1.00 0.00 C ATOM 1390 CG LEU A 109 1.540 5.806 -5.150 1.00 0.00 C ATOM 1391 CD1 LEU A 109 2.545 5.193 -6.101 1.00 0.00 C ATOM 1392 CD2 LEU A 109 0.582 4.756 -4.608 1.00 0.00 C ATOM 0 H LEU A 109 4.491 5.934 -4.846 1.00 0.00 H new ATOM 0 HA LEU A 109 2.826 8.206 -5.252 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.779 5.777 -3.412 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.509 6.983 -3.369 1.00 0.00 H new ATOM 0 HG LEU A 109 0.952 6.537 -5.705 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.018 4.686 -6.910 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.179 5.977 -6.515 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.163 4.473 -5.564 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.081 4.258 -5.438 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.139 4.021 -4.026 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.161 5.236 -3.971 1.00 0.00 H new ATOM 1404 N GLU A 110 2.787 9.558 -3.180 1.00 0.00 N ATOM 1405 CA GLU A 110 2.934 10.515 -2.092 1.00 0.00 C ATOM 1406 C GLU A 110 1.590 10.749 -1.404 1.00 0.00 C ATOM 1407 O GLU A 110 0.776 11.547 -1.865 1.00 0.00 O ATOM 1408 CB GLU A 110 3.510 11.832 -2.608 1.00 0.00 C ATOM 1409 CG GLU A 110 5.028 11.878 -2.564 1.00 0.00 C ATOM 1410 CD GLU A 110 5.656 11.801 -3.942 1.00 0.00 C ATOM 1411 OE1 GLU A 110 5.252 12.588 -4.823 1.00 0.00 O ATOM 1412 OE2 GLU A 110 6.552 10.953 -4.140 1.00 0.00 O ATOM 0 H GLU A 110 2.041 9.785 -3.838 1.00 0.00 H new ATOM 0 HA GLU A 110 3.629 10.102 -1.361 1.00 0.00 H new ATOM 0 HB2 GLU A 110 3.178 11.990 -3.634 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.110 12.654 -2.014 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.345 12.799 -2.076 1.00 0.00 H new ATOM 0 HG3 GLU A 110 5.395 11.052 -1.955 1.00 0.00 H new ATOM 1419 N PHE A 111 1.358 10.037 -0.308 1.00 0.00 N ATOM 1420 CA PHE A 111 0.105 10.156 0.434 1.00 0.00 C ATOM 1421 C PHE A 111 0.364 10.550 1.885 1.00 0.00 C ATOM 1422 O PHE A 111 -0.583 10.479 2.695 1.00 0.00 O ATOM 1423 CB PHE A 111 -0.658 8.829 0.379 1.00 0.00 C ATOM 1424 CG PHE A 111 0.246 7.636 0.442 1.00 0.00 C ATOM 1425 CD1 PHE A 111 0.972 7.252 -0.670 1.00 0.00 C ATOM 1426 CD2 PHE A 111 0.385 6.913 1.613 1.00 0.00 C ATOM 1427 CE1 PHE A 111 1.821 6.169 -0.617 1.00 0.00 C ATOM 1428 CE2 PHE A 111 1.230 5.824 1.673 1.00 0.00 C ATOM 1429 CZ PHE A 111 1.951 5.452 0.556 1.00 0.00 C ATOM 1430 OXT PHE A 111 1.513 10.927 2.198 1.00 0.00 O ATOM 0 H PHE A 111 2.020 9.370 0.088 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.496 10.939 -0.028 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -1.365 8.787 1.207 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.242 8.789 -0.541 1.00 0.00 H new ATOM 0 HD1 PHE A 111 0.872 7.808 -1.591 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -0.174 7.204 2.490 1.00 0.00 H new ATOM 0 HE1 PHE A 111 2.385 5.881 -1.492 1.00 0.00 H new ATOM 0 HE2 PHE A 111 1.327 5.264 2.591 1.00 0.00 H new ATOM 0 HZ PHE A 111 2.616 4.602 0.599 1.00 0.00 H new