USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 687 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 14 HIS : no HD1:sc= -0.157 K(o=-0.16,f=-1.8) USER MOD Set 1.2: A 89 ASN : amide:sc= 0 X(o=-0.16,f=-0.19) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -150:sc= -0.148 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-1.9) USER MOD Single : A 44 MET CE :methyl 157:sc=-0.00104 (180deg=-0.555) USER MOD Single : A 46 SER OG : rot 180:sc= 0.361 USER MOD Single : A 54 HIS : no HD1:sc= -0.0684 X(o=-0.068,f=0.00097) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -92:sc= 0.0432 USER MOD Single : A 72 HIS : no HD1:sc= -0.649 K(o=-0.65,f=-1.3) USER MOD Single : A 74 TYR OH : rot 139:sc= 0.0211 USER MOD Single : A 79 MET CE :methyl -160:sc= -0.0543 (180deg=-0.262) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 81 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.29) USER MOD Single : A 85 ASN : amide:sc= 0.93 K(o=0.93,f=-0.46) USER MOD Single : A 87 GLN : amide:sc= -0.143 K(o=-0.14,f=-1.8) USER MOD Single : A 91 THR OG1 : rot -90:sc= 0.141 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N TYR A 8 -13.736 -7.647 11.846 1.00 0.00 N ATOM 67 CA TYR A 8 -12.934 -7.686 10.631 1.00 0.00 C ATOM 68 C TYR A 8 -11.486 -8.082 10.923 1.00 0.00 C ATOM 69 O TYR A 8 -10.882 -7.626 11.906 1.00 0.00 O ATOM 70 CB TYR A 8 -13.039 -6.363 9.860 1.00 0.00 C ATOM 71 CG TYR A 8 -12.265 -5.200 10.420 1.00 0.00 C ATOM 72 CD1 TYR A 8 -10.914 -5.060 10.081 1.00 0.00 C ATOM 73 CD2 TYR A 8 -12.903 -4.237 11.215 1.00 0.00 C ATOM 74 CE1 TYR A 8 -10.175 -3.957 10.532 1.00 0.00 C ATOM 75 CE2 TYR A 8 -12.181 -3.117 11.660 1.00 0.00 C ATOM 76 CZ TYR A 8 -10.816 -2.972 11.322 1.00 0.00 C ATOM 77 OH TYR A 8 -10.161 -1.845 11.700 1.00 0.00 O ATOM 0 HA TYR A 8 -13.339 -8.465 9.985 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -12.704 -6.536 8.837 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -14.090 -6.080 9.808 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -10.436 -5.809 9.466 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -13.942 -4.356 11.483 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -9.129 -3.860 10.280 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -12.670 -2.365 12.262 1.00 0.00 H new ATOM 0 HH TYR A 8 -10.759 -1.284 12.237 1.00 0.00 H new ATOM 87 N LYS A 9 -10.945 -8.939 10.058 1.00 0.00 N ATOM 88 CA LYS A 9 -9.521 -9.208 10.019 1.00 0.00 C ATOM 89 C LYS A 9 -8.904 -8.253 9.029 1.00 0.00 C ATOM 90 O LYS A 9 -9.425 -8.113 7.921 1.00 0.00 O ATOM 91 CB LYS A 9 -9.231 -10.644 9.565 1.00 0.00 C ATOM 92 CG LYS A 9 -9.078 -11.548 10.786 1.00 0.00 C ATOM 93 CD LYS A 9 -8.559 -12.948 10.452 1.00 0.00 C ATOM 94 CE LYS A 9 -7.138 -12.871 9.880 1.00 0.00 C ATOM 95 NZ LYS A 9 -6.525 -14.207 9.833 1.00 0.00 N ATOM 0 H LYS A 9 -11.486 -9.462 9.369 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.106 -9.081 11.019 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.041 -11.006 8.931 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.321 -10.669 8.965 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.396 -11.076 11.493 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.043 -11.637 11.285 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.563 -13.568 11.349 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.222 -13.426 9.731 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.166 -12.443 8.878 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.529 -12.207 10.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.564 -14.134 9.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.480 -14.602 10.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.097 -14.831 9.229 1.00 0.00 H new ATOM 109 N GLU A 10 -7.776 -7.678 9.409 1.00 0.00 N ATOM 110 CA GLU A 10 -6.746 -7.243 8.494 1.00 0.00 C ATOM 111 C GLU A 10 -5.868 -8.448 8.159 1.00 0.00 C ATOM 112 O GLU A 10 -5.756 -9.407 8.936 1.00 0.00 O ATOM 113 CB GLU A 10 -5.848 -6.217 9.180 1.00 0.00 C ATOM 114 CG GLU A 10 -6.251 -4.786 8.872 1.00 0.00 C ATOM 115 CD GLU A 10 -5.484 -3.800 9.755 1.00 0.00 C ATOM 116 OE1 GLU A 10 -4.400 -4.163 10.278 1.00 0.00 O ATOM 117 OE2 GLU A 10 -5.986 -2.678 9.954 1.00 0.00 O ATOM 0 H GLU A 10 -7.550 -7.498 10.387 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.209 -6.814 7.606 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.880 -6.375 10.258 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.816 -6.375 8.865 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.056 -4.567 7.822 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.323 -4.664 9.030 1.00 0.00 H new ATOM 124 N LEU A 11 -5.226 -8.358 7.001 1.00 0.00 N ATOM 125 CA LEU A 11 -4.346 -9.352 6.404 1.00 0.00 C ATOM 126 C LEU A 11 -3.179 -8.583 5.775 1.00 0.00 C ATOM 127 O LEU A 11 -3.386 -7.784 4.857 1.00 0.00 O ATOM 128 CB LEU A 11 -5.065 -10.243 5.352 1.00 0.00 C ATOM 129 CG LEU A 11 -6.550 -9.989 4.992 1.00 0.00 C ATOM 130 CD1 LEU A 11 -6.884 -10.655 3.647 1.00 0.00 C ATOM 131 CD2 LEU A 11 -7.545 -10.558 6.020 1.00 0.00 C ATOM 0 H LEU A 11 -5.314 -7.529 6.413 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.000 -10.045 7.171 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.493 -10.174 4.427 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.989 -11.274 5.697 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.657 -8.905 4.964 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.930 -10.472 3.400 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.249 -10.237 2.866 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.711 -11.729 3.720 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.564 -10.341 5.699 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.411 -11.637 6.097 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.365 -10.100 6.993 1.00 0.00 H new ATOM 143 N ASP A 12 -1.957 -8.804 6.262 1.00 0.00 N ATOM 144 CA ASP A 12 -0.740 -8.131 5.792 1.00 0.00 C ATOM 145 C ASP A 12 -0.092 -8.953 4.679 1.00 0.00 C ATOM 146 O ASP A 12 0.074 -10.174 4.834 1.00 0.00 O ATOM 147 CB ASP A 12 0.286 -7.977 6.926 1.00 0.00 C ATOM 148 CG ASP A 12 -0.005 -6.819 7.881 1.00 0.00 C ATOM 149 OD1 ASP A 12 -0.892 -6.947 8.754 1.00 0.00 O ATOM 150 OD2 ASP A 12 0.737 -5.809 7.836 1.00 0.00 O ATOM 0 H ASP A 12 -1.779 -9.472 7.012 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.029 -7.145 5.429 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.321 -8.905 7.497 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.275 -7.834 6.490 1.00 0.00 H new ATOM 155 N VAL A 13 0.308 -8.271 3.603 1.00 0.00 N ATOM 156 CA VAL A 13 1.051 -8.797 2.446 1.00 0.00 C ATOM 157 C VAL A 13 2.267 -7.885 2.208 1.00 0.00 C ATOM 158 O VAL A 13 2.171 -6.674 2.415 1.00 0.00 O ATOM 159 CB VAL A 13 0.100 -8.865 1.224 1.00 0.00 C ATOM 160 CG1 VAL A 13 0.779 -9.272 -0.092 1.00 0.00 C ATOM 161 CG2 VAL A 13 -1.018 -9.890 1.456 1.00 0.00 C ATOM 0 H VAL A 13 0.112 -7.275 3.507 1.00 0.00 H new ATOM 0 HA VAL A 13 1.417 -9.809 2.622 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.275 -7.846 1.129 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.039 -9.293 -0.892 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.558 -8.550 -0.338 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.223 -10.261 0.018 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.672 -9.919 0.584 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.581 -10.876 1.614 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.597 -9.604 2.334 1.00 0.00 H new ATOM 171 N HIS A 14 3.421 -8.437 1.805 1.00 0.00 N ATOM 172 CA HIS A 14 4.653 -7.673 1.599 1.00 0.00 C ATOM 173 C HIS A 14 5.250 -7.976 0.219 1.00 0.00 C ATOM 174 O HIS A 14 5.883 -9.021 0.020 1.00 0.00 O ATOM 175 CB HIS A 14 5.615 -7.959 2.759 1.00 0.00 C ATOM 176 CG HIS A 14 6.846 -7.095 2.734 1.00 0.00 C ATOM 177 ND1 HIS A 14 6.931 -5.780 3.141 1.00 0.00 N ATOM 178 CD2 HIS A 14 8.094 -7.493 2.341 1.00 0.00 C ATOM 179 CE1 HIS A 14 8.209 -5.395 2.995 1.00 0.00 C ATOM 180 NE2 HIS A 14 8.953 -6.407 2.515 1.00 0.00 N ATOM 0 H HIS A 14 3.523 -9.433 1.612 1.00 0.00 H new ATOM 0 HA HIS A 14 4.446 -6.603 1.602 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.091 -7.807 3.703 1.00 0.00 H new ATOM 0 HB3 HIS A 14 5.913 -9.007 2.725 1.00 0.00 H new ATOM 0 HD2 HIS A 14 8.365 -8.469 1.965 1.00 0.00 H new ATOM 0 HE1 HIS A 14 8.586 -4.411 3.230 1.00 0.00 H new ATOM 0 HE2 HIS A 14 9.953 -6.385 2.316 1.00 0.00 H new ATOM 188 N LEU A 15 5.083 -7.064 -0.745 1.00 0.00 N ATOM 189 CA LEU A 15 5.529 -7.281 -2.125 1.00 0.00 C ATOM 190 C LEU A 15 6.806 -6.500 -2.381 1.00 0.00 C ATOM 191 O LEU A 15 6.910 -5.312 -2.085 1.00 0.00 O ATOM 192 CB LEU A 15 4.469 -6.891 -3.166 1.00 0.00 C ATOM 193 CG LEU A 15 3.213 -7.774 -3.166 1.00 0.00 C ATOM 194 CD1 LEU A 15 2.229 -7.233 -4.213 1.00 0.00 C ATOM 195 CD2 LEU A 15 3.483 -9.247 -3.490 1.00 0.00 C ATOM 0 H LEU A 15 4.637 -6.159 -0.592 1.00 0.00 H new ATOM 0 HA LEU A 15 5.708 -8.350 -2.236 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.170 -5.858 -2.990 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.922 -6.927 -4.157 1.00 0.00 H new ATOM 0 HG LEU A 15 2.812 -7.736 -2.153 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.332 -7.852 -4.223 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.959 -6.207 -3.963 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.696 -7.256 -5.197 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.545 -9.802 -3.470 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.930 -9.326 -4.481 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.167 -9.663 -2.750 1.00 0.00 H new ATOM 207 N ARG A 16 7.790 -7.177 -2.961 1.00 0.00 N ATOM 208 CA ARG A 16 9.098 -6.599 -3.258 1.00 0.00 C ATOM 209 C ARG A 16 9.084 -5.907 -4.618 1.00 0.00 C ATOM 210 O ARG A 16 8.264 -6.240 -5.486 1.00 0.00 O ATOM 211 CB ARG A 16 10.155 -7.708 -3.266 1.00 0.00 C ATOM 212 CG ARG A 16 10.409 -8.376 -1.908 1.00 0.00 C ATOM 213 CD ARG A 16 9.342 -9.396 -1.489 1.00 0.00 C ATOM 214 NE ARG A 16 9.911 -10.325 -0.510 1.00 0.00 N ATOM 215 CZ ARG A 16 9.320 -10.912 0.532 1.00 0.00 C ATOM 216 NH1 ARG A 16 8.018 -10.778 0.787 1.00 0.00 N ATOM 217 NH2 ARG A 16 10.081 -11.638 1.336 1.00 0.00 N ATOM 0 H ARG A 16 7.703 -8.154 -3.242 1.00 0.00 H new ATOM 0 HA ARG A 16 9.336 -5.862 -2.491 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.850 -8.474 -3.979 1.00 0.00 H new ATOM 0 HB3 ARG A 16 11.094 -7.291 -3.629 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.378 -8.875 -1.939 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.473 -7.602 -1.143 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.481 -8.882 -1.061 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.985 -9.944 -2.361 1.00 0.00 H new ATOM 0 HE ARG A 16 10.896 -10.555 -0.643 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.434 -10.209 0.174 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.606 -11.244 1.595 1.00 0.00 H new ATOM 0 HH21 ARG A 16 11.079 -11.731 1.147 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.669 -12.104 2.145 1.00 0.00 H new ATOM 231 N ARG A 17 10.043 -5.010 -4.867 1.00 0.00 N ATOM 232 CA ARG A 17 10.222 -4.345 -6.149 1.00 0.00 C ATOM 233 C ARG A 17 11.623 -4.616 -6.702 1.00 0.00 C ATOM 234 O ARG A 17 12.514 -3.776 -6.568 1.00 0.00 O ATOM 235 CB ARG A 17 9.951 -2.839 -6.036 1.00 0.00 C ATOM 236 CG ARG A 17 9.880 -2.247 -7.450 1.00 0.00 C ATOM 237 CD ARG A 17 10.388 -0.808 -7.528 1.00 0.00 C ATOM 238 NE ARG A 17 10.946 -0.508 -8.853 1.00 0.00 N ATOM 239 CZ ARG A 17 12.119 -0.953 -9.312 1.00 0.00 C ATOM 240 NH1 ARG A 17 12.867 -1.805 -8.610 1.00 0.00 N ATOM 241 NH2 ARG A 17 12.547 -0.548 -10.497 1.00 0.00 N ATOM 0 H ARG A 17 10.727 -4.725 -4.166 1.00 0.00 H new ATOM 0 HA ARG A 17 9.495 -4.755 -6.850 1.00 0.00 H new ATOM 0 HB2 ARG A 17 9.016 -2.662 -5.504 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.741 -2.354 -5.462 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.466 -2.869 -8.127 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.848 -2.280 -7.799 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.571 -0.120 -7.311 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.150 -0.648 -6.766 1.00 0.00 H new ATOM 0 HE ARG A 17 10.395 0.087 -9.471 1.00 0.00 H new ATOM 0 HH11 ARG A 17 12.547 -2.133 -7.699 1.00 0.00 H new ATOM 0 HH12 ARG A 17 13.759 -2.129 -8.984 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.983 0.097 -11.050 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.441 -0.881 -10.858 1.00 0.00 H new ATOM 255 N MET A 18 11.782 -5.722 -7.422 1.00 0.00 N ATOM 256 CA MET A 18 12.982 -6.015 -8.208 1.00 0.00 C ATOM 257 C MET A 18 12.660 -6.435 -9.641 1.00 0.00 C ATOM 258 O MET A 18 13.587 -6.535 -10.443 1.00 0.00 O ATOM 259 CB MET A 18 13.844 -7.101 -7.536 1.00 0.00 C ATOM 260 CG MET A 18 15.201 -6.565 -7.082 1.00 0.00 C ATOM 261 SD MET A 18 16.386 -7.857 -6.619 1.00 0.00 S ATOM 262 CE MET A 18 17.031 -8.259 -8.260 1.00 0.00 C ATOM 0 H MET A 18 11.072 -6.452 -7.479 1.00 0.00 H new ATOM 0 HA MET A 18 13.545 -5.083 -8.250 1.00 0.00 H new ATOM 0 HB2 MET A 18 13.310 -7.506 -6.677 1.00 0.00 H new ATOM 0 HB3 MET A 18 13.996 -7.925 -8.234 1.00 0.00 H new ATOM 0 HG2 MET A 18 15.629 -5.964 -7.884 1.00 0.00 H new ATOM 0 HG3 MET A 18 15.052 -5.901 -6.231 1.00 0.00 H new ATOM 0 HE1 MET A 18 17.782 -9.045 -8.173 1.00 0.00 H new ATOM 0 HE2 MET A 18 16.216 -8.604 -8.897 1.00 0.00 H new ATOM 0 HE3 MET A 18 17.484 -7.371 -8.700 1.00 0.00 H new ATOM 272 N GLU A 19 11.394 -6.690 -9.979 1.00 0.00 N ATOM 273 CA GLU A 19 11.027 -7.292 -11.251 1.00 0.00 C ATOM 274 C GLU A 19 9.795 -6.549 -11.779 1.00 0.00 C ATOM 275 O GLU A 19 9.958 -5.409 -12.227 1.00 0.00 O ATOM 276 CB GLU A 19 10.920 -8.824 -11.063 1.00 0.00 C ATOM 277 CG GLU A 19 11.670 -9.633 -12.136 1.00 0.00 C ATOM 278 CD GLU A 19 10.723 -10.562 -12.890 1.00 0.00 C ATOM 279 OE1 GLU A 19 10.251 -11.555 -12.285 1.00 0.00 O ATOM 280 OE2 GLU A 19 10.392 -10.246 -14.059 1.00 0.00 O ATOM 0 H GLU A 19 10.599 -6.483 -9.375 1.00 0.00 H new ATOM 0 HA GLU A 19 11.775 -7.182 -12.036 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.312 -9.089 -10.081 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.868 -9.110 -11.074 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.151 -8.952 -12.838 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.461 -10.218 -11.667 1.00 0.00 H new ATOM 287 N SER A 20 8.576 -7.082 -11.634 1.00 0.00 N ATOM 288 CA SER A 20 7.368 -6.455 -12.171 1.00 0.00 C ATOM 289 C SER A 20 7.104 -5.119 -11.486 1.00 0.00 C ATOM 290 O SER A 20 6.564 -4.202 -12.104 1.00 0.00 O ATOM 291 CB SER A 20 6.131 -7.350 -11.969 1.00 0.00 C ATOM 292 OG SER A 20 6.459 -8.712 -11.766 1.00 0.00 O ATOM 0 H SER A 20 8.402 -7.958 -11.142 1.00 0.00 H new ATOM 0 HA SER A 20 7.538 -6.305 -13.237 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.563 -6.987 -11.112 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.482 -7.265 -12.840 1.00 0.00 H new ATOM 0 HG SER A 20 5.735 -9.277 -12.108 1.00 0.00 H new ATOM 298 N GLY A 21 7.516 -4.986 -10.224 1.00 0.00 N ATOM 299 CA GLY A 21 7.104 -3.878 -9.395 1.00 0.00 C ATOM 300 C GLY A 21 5.651 -4.092 -9.020 1.00 0.00 C ATOM 301 O GLY A 21 4.759 -3.411 -9.532 1.00 0.00 O ATOM 0 H GLY A 21 8.141 -5.645 -9.760 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.724 -3.819 -8.501 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.225 -2.936 -9.929 1.00 0.00 H new ATOM 305 N PHE A 22 5.446 -5.046 -8.112 1.00 0.00 N ATOM 306 CA PHE A 22 4.172 -5.400 -7.508 1.00 0.00 C ATOM 307 C PHE A 22 3.278 -6.064 -8.568 1.00 0.00 C ATOM 308 O PHE A 22 3.657 -7.133 -9.048 1.00 0.00 O ATOM 309 CB PHE A 22 3.596 -4.202 -6.720 1.00 0.00 C ATOM 310 CG PHE A 22 4.626 -3.345 -5.984 1.00 0.00 C ATOM 311 CD1 PHE A 22 5.678 -3.935 -5.254 1.00 0.00 C ATOM 312 CD2 PHE A 22 4.558 -1.939 -6.065 1.00 0.00 C ATOM 313 CE1 PHE A 22 6.632 -3.133 -4.609 1.00 0.00 C ATOM 314 CE2 PHE A 22 5.505 -1.135 -5.403 1.00 0.00 C ATOM 315 CZ PHE A 22 6.538 -1.732 -4.664 1.00 0.00 C ATOM 0 H PHE A 22 6.211 -5.622 -7.762 1.00 0.00 H new ATOM 0 HA PHE A 22 4.273 -6.162 -6.735 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.046 -3.564 -7.412 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.876 -4.579 -5.993 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.750 -5.011 -5.191 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.771 -1.474 -6.641 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.444 -3.595 -4.067 1.00 0.00 H new ATOM 0 HE2 PHE A 22 5.437 -0.059 -5.464 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.256 -1.118 -4.141 1.00 0.00 H new ATOM 325 N GLY A 23 2.138 -5.489 -8.960 1.00 0.00 N ATOM 326 CA GLY A 23 1.246 -6.077 -9.961 1.00 0.00 C ATOM 327 C GLY A 23 -0.208 -6.125 -9.500 1.00 0.00 C ATOM 328 O GLY A 23 -0.900 -7.107 -9.743 1.00 0.00 O ATOM 0 H GLY A 23 1.807 -4.598 -8.590 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.311 -5.500 -10.883 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.583 -7.087 -10.193 1.00 0.00 H new ATOM 332 N PHE A 24 -0.693 -5.080 -8.838 1.00 0.00 N ATOM 333 CA PHE A 24 -2.103 -4.857 -8.543 1.00 0.00 C ATOM 334 C PHE A 24 -2.511 -3.499 -9.119 1.00 0.00 C ATOM 335 O PHE A 24 -1.678 -2.777 -9.677 1.00 0.00 O ATOM 336 CB PHE A 24 -2.354 -4.974 -7.032 1.00 0.00 C ATOM 337 CG PHE A 24 -1.751 -3.861 -6.190 1.00 0.00 C ATOM 338 CD1 PHE A 24 -0.405 -3.930 -5.778 1.00 0.00 C ATOM 339 CD2 PHE A 24 -2.540 -2.757 -5.807 1.00 0.00 C ATOM 340 CE1 PHE A 24 0.144 -2.901 -4.991 1.00 0.00 C ATOM 341 CE2 PHE A 24 -1.992 -1.740 -5.011 1.00 0.00 C ATOM 342 CZ PHE A 24 -0.655 -1.815 -4.599 1.00 0.00 C ATOM 0 H PHE A 24 -0.092 -4.338 -8.479 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.725 -5.619 -9.012 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.430 -4.997 -6.859 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.955 -5.927 -6.686 1.00 0.00 H new ATOM 0 HD1 PHE A 24 0.205 -4.773 -6.066 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.569 -2.694 -6.127 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.180 -2.946 -4.688 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.601 -0.899 -4.716 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.238 -1.036 -3.978 1.00 0.00 H new ATOM 352 N ARG A 25 -3.790 -3.150 -9.033 1.00 0.00 N ATOM 353 CA ARG A 25 -4.317 -1.829 -9.363 1.00 0.00 C ATOM 354 C ARG A 25 -5.296 -1.446 -8.248 1.00 0.00 C ATOM 355 O ARG A 25 -5.620 -2.300 -7.427 1.00 0.00 O ATOM 356 CB ARG A 25 -4.913 -1.911 -10.779 1.00 0.00 C ATOM 357 CG ARG A 25 -5.026 -0.551 -11.480 1.00 0.00 C ATOM 358 CD ARG A 25 -4.824 -0.682 -13.000 1.00 0.00 C ATOM 359 NE ARG A 25 -3.397 -0.614 -13.390 1.00 0.00 N ATOM 360 CZ ARG A 25 -2.740 -1.392 -14.267 1.00 0.00 C ATOM 361 NH1 ARG A 25 -3.299 -2.489 -14.774 1.00 0.00 N ATOM 362 NH2 ARG A 25 -1.517 -1.046 -14.665 1.00 0.00 N ATOM 0 H ARG A 25 -4.513 -3.799 -8.722 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.571 -1.035 -9.400 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.295 -2.573 -11.386 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.903 -2.364 -10.721 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.005 -0.117 -11.278 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.283 0.133 -11.071 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.245 -1.628 -13.339 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.374 0.111 -13.506 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.844 0.114 -12.937 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.245 -2.754 -14.498 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.782 -3.065 -15.438 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.085 -0.195 -14.304 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.012 -1.632 -15.330 1.00 0.00 H new ATOM 376 N ILE A 26 -5.732 -0.191 -8.151 1.00 0.00 N ATOM 377 CA ILE A 26 -6.361 0.349 -6.938 1.00 0.00 C ATOM 378 C ILE A 26 -7.472 1.314 -7.340 1.00 0.00 C ATOM 379 O ILE A 26 -7.204 2.259 -8.084 1.00 0.00 O ATOM 380 CB ILE A 26 -5.316 1.026 -6.003 1.00 0.00 C ATOM 381 CG1 ILE A 26 -3.887 1.152 -6.597 1.00 0.00 C ATOM 382 CG2 ILE A 26 -5.289 0.243 -4.685 1.00 0.00 C ATOM 383 CD1 ILE A 26 -2.907 1.979 -5.762 1.00 0.00 C ATOM 0 H ILE A 26 -5.661 0.485 -8.911 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.795 -0.471 -6.366 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.635 2.058 -5.856 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.475 0.151 -6.727 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.961 1.598 -7.589 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.564 0.695 -4.008 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.278 0.268 -4.227 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -5.006 -0.791 -4.882 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.938 2.007 -6.260 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.289 2.994 -5.653 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.795 1.525 -4.777 1.00 0.00 H new ATOM 395 N LEU A 27 -8.710 1.047 -6.904 1.00 0.00 N ATOM 396 CA LEU A 27 -9.918 1.731 -7.372 1.00 0.00 C ATOM 397 C LEU A 27 -10.806 2.004 -6.161 1.00 0.00 C ATOM 398 O LEU A 27 -10.868 1.189 -5.236 1.00 0.00 O ATOM 399 CB LEU A 27 -10.686 0.856 -8.387 1.00 0.00 C ATOM 400 CG LEU A 27 -9.867 0.392 -9.607 1.00 0.00 C ATOM 401 CD1 LEU A 27 -10.626 -0.660 -10.425 1.00 0.00 C ATOM 402 CD2 LEU A 27 -9.456 1.529 -10.530 1.00 0.00 C ATOM 0 H LEU A 27 -8.902 0.333 -6.201 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.641 2.661 -7.868 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.066 -0.024 -7.869 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.552 1.415 -8.742 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.959 -0.043 -9.189 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.019 -0.965 -11.278 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.834 -1.528 -9.799 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.565 -0.236 -10.781 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.883 1.129 -11.367 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.347 2.031 -10.907 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.843 2.242 -9.978 1.00 0.00 H new ATOM 414 N GLY A 28 -11.549 3.106 -6.171 1.00 0.00 N ATOM 415 CA GLY A 28 -12.261 3.596 -4.995 1.00 0.00 C ATOM 416 C GLY A 28 -11.596 4.866 -4.484 1.00 0.00 C ATOM 417 O GLY A 28 -10.856 5.500 -5.239 1.00 0.00 O ATOM 0 H GLY A 28 -11.675 3.688 -6.999 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -13.303 3.795 -5.246 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -12.261 2.835 -4.215 1.00 0.00 H new ATOM 421 N GLY A 29 -11.879 5.274 -3.243 1.00 0.00 N ATOM 422 CA GLY A 29 -11.235 6.444 -2.640 1.00 0.00 C ATOM 423 C GLY A 29 -11.488 7.724 -3.435 1.00 0.00 C ATOM 424 O GLY A 29 -10.632 8.604 -3.478 1.00 0.00 O ATOM 0 H GLY A 29 -12.553 4.809 -2.635 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -11.603 6.573 -1.622 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.161 6.269 -2.571 1.00 0.00 H new ATOM 428 N ASP A 30 -12.612 7.812 -4.147 1.00 0.00 N ATOM 429 CA ASP A 30 -12.869 8.953 -5.023 1.00 0.00 C ATOM 430 C ASP A 30 -13.033 10.228 -4.196 1.00 0.00 C ATOM 431 O ASP A 30 -12.530 11.292 -4.565 1.00 0.00 O ATOM 432 CB ASP A 30 -14.129 8.700 -5.843 1.00 0.00 C ATOM 433 CG ASP A 30 -14.190 9.651 -7.036 1.00 0.00 C ATOM 434 OD1 ASP A 30 -13.645 9.306 -8.107 1.00 0.00 O ATOM 435 OD2 ASP A 30 -14.768 10.749 -6.924 1.00 0.00 O ATOM 0 H ASP A 30 -13.354 7.112 -4.134 1.00 0.00 H new ATOM 0 HA ASP A 30 -12.022 9.079 -5.697 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -14.142 7.668 -6.192 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -15.011 8.835 -5.217 1.00 0.00 H new ATOM 440 N GLU A 31 -13.680 10.085 -3.040 1.00 0.00 N ATOM 441 CA GLU A 31 -13.832 11.120 -2.038 1.00 0.00 C ATOM 442 C GLU A 31 -13.072 10.687 -0.773 1.00 0.00 C ATOM 443 O GLU A 31 -12.800 9.488 -0.621 1.00 0.00 O ATOM 444 CB GLU A 31 -15.329 11.411 -1.822 1.00 0.00 C ATOM 445 CG GLU A 31 -16.119 10.520 -0.854 1.00 0.00 C ATOM 446 CD GLU A 31 -16.941 11.297 0.178 1.00 0.00 C ATOM 447 OE1 GLU A 31 -16.320 12.007 1.000 1.00 0.00 O ATOM 448 OE2 GLU A 31 -18.188 11.153 0.200 1.00 0.00 O ATOM 0 H GLU A 31 -14.127 9.208 -2.773 1.00 0.00 H new ATOM 0 HA GLU A 31 -13.395 12.067 -2.356 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -15.419 12.440 -1.473 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.820 11.360 -2.794 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -16.788 9.880 -1.429 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -15.423 9.864 -0.330 1.00 0.00 H new ATOM 455 N PRO A 32 -12.736 11.612 0.144 1.00 0.00 N ATOM 456 CA PRO A 32 -11.955 11.343 1.350 1.00 0.00 C ATOM 457 C PRO A 32 -12.796 10.699 2.468 1.00 0.00 C ATOM 458 O PRO A 32 -12.715 11.066 3.647 1.00 0.00 O ATOM 459 CB PRO A 32 -11.340 12.700 1.708 1.00 0.00 C ATOM 460 CG PRO A 32 -12.419 13.687 1.287 1.00 0.00 C ATOM 461 CD PRO A 32 -13.053 13.031 0.064 1.00 0.00 C ATOM 0 HA PRO A 32 -11.176 10.596 1.196 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.118 12.774 2.773 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -10.405 12.873 1.175 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -13.149 13.844 2.081 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -11.997 14.662 1.044 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -14.132 13.187 0.055 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -12.661 13.465 -0.856 1.00 0.00 H new ATOM 469 N GLY A 33 -13.569 9.684 2.091 1.00 0.00 N ATOM 470 CA GLY A 33 -14.351 8.842 2.966 1.00 0.00 C ATOM 471 C GLY A 33 -15.022 7.735 2.157 1.00 0.00 C ATOM 472 O GLY A 33 -16.228 7.525 2.256 1.00 0.00 O ATOM 0 H GLY A 33 -13.666 9.420 1.111 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.711 8.407 3.734 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.106 9.438 3.480 1.00 0.00 H new ATOM 476 N GLN A 34 -14.258 7.052 1.301 1.00 0.00 N ATOM 477 CA GLN A 34 -14.721 5.935 0.489 1.00 0.00 C ATOM 478 C GLN A 34 -13.874 4.684 0.752 1.00 0.00 C ATOM 479 O GLN A 34 -12.787 4.787 1.327 1.00 0.00 O ATOM 480 CB GLN A 34 -14.663 6.381 -0.976 1.00 0.00 C ATOM 481 CG GLN A 34 -15.804 7.346 -1.318 1.00 0.00 C ATOM 482 CD GLN A 34 -16.976 6.590 -1.917 1.00 0.00 C ATOM 483 OE1 GLN A 34 -17.485 5.685 -1.267 1.00 0.00 O ATOM 484 NE2 GLN A 34 -17.423 6.890 -3.119 1.00 0.00 N ATOM 0 H GLN A 34 -13.273 7.271 1.153 1.00 0.00 H new ATOM 0 HA GLN A 34 -15.745 5.662 0.745 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.706 6.864 -1.172 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -14.718 5.507 -1.625 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -16.124 7.873 -0.419 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -15.452 8.100 -2.022 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -16.990 7.646 -3.650 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -18.202 6.366 -3.519 1.00 0.00 H new ATOM 493 N PRO A 35 -14.350 3.496 0.347 1.00 0.00 N ATOM 494 CA PRO A 35 -13.569 2.274 0.362 1.00 0.00 C ATOM 495 C PRO A 35 -12.587 2.315 -0.801 1.00 0.00 C ATOM 496 O PRO A 35 -12.919 2.777 -1.899 1.00 0.00 O ATOM 497 CB PRO A 35 -14.587 1.140 0.222 1.00 0.00 C ATOM 498 CG PRO A 35 -15.853 1.775 -0.368 1.00 0.00 C ATOM 499 CD PRO A 35 -15.609 3.286 -0.347 1.00 0.00 C ATOM 0 HA PRO A 35 -12.982 2.139 1.271 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -14.206 0.353 -0.429 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.795 0.682 1.189 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -16.031 1.422 -1.384 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -16.733 1.513 0.220 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -15.563 3.685 -1.360 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -16.423 3.802 0.162 1.00 0.00 H new ATOM 507 N ILE A 36 -11.395 1.774 -0.571 1.00 0.00 N ATOM 508 CA ILE A 36 -10.370 1.589 -1.581 1.00 0.00 C ATOM 509 C ILE A 36 -10.181 0.094 -1.681 1.00 0.00 C ATOM 510 O ILE A 36 -9.576 -0.519 -0.810 1.00 0.00 O ATOM 511 CB ILE A 36 -9.081 2.348 -1.235 1.00 0.00 C ATOM 512 CG1 ILE A 36 -9.399 3.853 -1.247 1.00 0.00 C ATOM 513 CG2 ILE A 36 -7.998 1.996 -2.275 1.00 0.00 C ATOM 514 CD1 ILE A 36 -8.241 4.738 -0.813 1.00 0.00 C ATOM 0 H ILE A 36 -11.112 1.444 0.352 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.661 2.004 -2.546 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.707 2.070 -0.249 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.704 4.140 -2.253 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.249 4.039 -0.591 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.078 2.531 -2.038 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.809 0.923 -2.255 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.340 2.286 -3.269 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.548 5.783 -0.850 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.949 4.481 0.205 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.395 4.585 -1.483 1.00 0.00 H new ATOM 526 N LEU A 37 -10.784 -0.501 -2.699 1.00 0.00 N ATOM 527 CA LEU A 37 -10.598 -1.906 -3.003 1.00 0.00 C ATOM 528 C LEU A 37 -9.388 -2.050 -3.920 1.00 0.00 C ATOM 529 O LEU A 37 -9.102 -1.172 -4.741 1.00 0.00 O ATOM 530 CB LEU A 37 -11.865 -2.516 -3.629 1.00 0.00 C ATOM 531 CG LEU A 37 -13.190 -2.201 -2.899 1.00 0.00 C ATOM 532 CD1 LEU A 37 -14.328 -3.058 -3.444 1.00 0.00 C ATOM 533 CD2 LEU A 37 -13.106 -2.359 -1.384 1.00 0.00 C ATOM 0 H LEU A 37 -11.417 -0.019 -3.337 1.00 0.00 H new ATOM 0 HA LEU A 37 -10.416 -2.459 -2.081 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.945 -2.164 -4.658 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.743 -3.598 -3.671 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.392 -1.148 -3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -15.250 -2.818 -2.914 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.458 -2.857 -4.507 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -14.091 -4.112 -3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -14.072 -2.121 -0.939 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.837 -3.387 -1.140 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -12.349 -1.682 -0.989 1.00 0.00 H new ATOM 545 N ILE A 38 -8.716 -3.194 -3.831 1.00 0.00 N ATOM 546 CA ILE A 38 -7.784 -3.665 -4.836 1.00 0.00 C ATOM 547 C ILE A 38 -8.596 -3.738 -6.133 1.00 0.00 C ATOM 548 O ILE A 38 -9.546 -4.516 -6.246 1.00 0.00 O ATOM 549 CB ILE A 38 -7.177 -5.018 -4.415 1.00 0.00 C ATOM 550 CG1 ILE A 38 -6.275 -4.874 -3.169 1.00 0.00 C ATOM 551 CG2 ILE A 38 -6.399 -5.682 -5.564 1.00 0.00 C ATOM 552 CD1 ILE A 38 -4.924 -4.181 -3.401 1.00 0.00 C ATOM 0 H ILE A 38 -8.810 -3.829 -3.039 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.927 -3.005 -4.968 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.014 -5.667 -4.158 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.823 -4.316 -2.409 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.088 -5.868 -2.762 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.988 -6.633 -5.224 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.070 -5.857 -6.405 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.586 -5.028 -5.879 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.373 -4.134 -2.462 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.346 -4.746 -4.132 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.093 -3.171 -3.774 1.00 0.00 H new ATOM 564 N GLY A 39 -8.257 -2.870 -7.078 1.00 0.00 N ATOM 565 CA GLY A 39 -8.922 -2.666 -8.347 1.00 0.00 C ATOM 566 C GLY A 39 -9.010 -3.951 -9.149 1.00 0.00 C ATOM 567 O GLY A 39 -10.089 -4.356 -9.583 1.00 0.00 O ATOM 0 H GLY A 39 -7.455 -2.251 -6.965 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.925 -2.276 -8.173 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.383 -1.914 -8.923 1.00 0.00 H new ATOM 571 N ALA A 40 -7.842 -4.546 -9.386 1.00 0.00 N ATOM 572 CA ALA A 40 -7.643 -5.845 -9.996 1.00 0.00 C ATOM 573 C ALA A 40 -6.262 -6.337 -9.557 1.00 0.00 C ATOM 574 O ALA A 40 -5.451 -5.543 -9.063 1.00 0.00 O ATOM 575 CB ALA A 40 -7.720 -5.706 -11.520 1.00 0.00 C ATOM 0 H ALA A 40 -6.959 -4.100 -9.139 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.408 -6.558 -9.689 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.571 -6.682 -11.982 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.699 -5.317 -11.801 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.945 -5.020 -11.862 1.00 0.00 H new ATOM 581 N VAL A 41 -5.973 -7.612 -9.796 1.00 0.00 N ATOM 582 CA VAL A 41 -4.675 -8.222 -9.541 1.00 0.00 C ATOM 583 C VAL A 41 -4.192 -8.741 -10.895 1.00 0.00 C ATOM 584 O VAL A 41 -4.969 -9.311 -11.663 1.00 0.00 O ATOM 585 CB VAL A 41 -4.797 -9.297 -8.439 1.00 0.00 C ATOM 586 CG1 VAL A 41 -3.437 -9.932 -8.123 1.00 0.00 C ATOM 587 CG2 VAL A 41 -5.348 -8.681 -7.139 1.00 0.00 C ATOM 0 H VAL A 41 -6.654 -8.266 -10.183 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.935 -7.524 -9.148 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.478 -10.061 -8.816 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.559 -10.684 -7.343 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.037 -10.402 -9.022 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.747 -9.162 -7.779 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.427 -9.454 -6.375 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.674 -7.897 -6.794 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.334 -8.255 -7.327 1.00 0.00 H new ATOM 597 N ILE A 42 -2.954 -8.424 -11.262 1.00 0.00 N ATOM 598 CA ILE A 42 -2.419 -8.764 -12.564 1.00 0.00 C ATOM 599 C ILE A 42 -1.999 -10.227 -12.513 1.00 0.00 C ATOM 600 O ILE A 42 -1.037 -10.564 -11.822 1.00 0.00 O ATOM 601 CB ILE A 42 -1.260 -7.819 -12.924 1.00 0.00 C ATOM 602 CG1 ILE A 42 -1.677 -6.331 -12.862 1.00 0.00 C ATOM 603 CG2 ILE A 42 -0.684 -8.169 -14.303 1.00 0.00 C ATOM 604 CD1 ILE A 42 -2.880 -5.931 -13.726 1.00 0.00 C ATOM 0 H ILE A 42 -2.299 -7.924 -10.661 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.162 -8.638 -13.351 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.482 -7.963 -12.174 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.901 -6.080 -11.825 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.823 -5.723 -13.160 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.135 -7.489 -14.539 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.313 -9.194 -14.293 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.464 -8.073 -15.058 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.079 -4.867 -13.602 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.661 -6.139 -14.773 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.755 -6.502 -13.418 1.00 0.00 H new ATOM 616 N ALA A 43 -2.675 -11.052 -13.314 1.00 0.00 N ATOM 617 CA ALA A 43 -2.524 -12.500 -13.394 1.00 0.00 C ATOM 618 C ALA A 43 -1.088 -12.993 -13.609 1.00 0.00 C ATOM 619 O ALA A 43 -0.795 -14.152 -13.335 1.00 0.00 O ATOM 620 CB ALA A 43 -3.396 -12.991 -14.555 1.00 0.00 C ATOM 0 H ALA A 43 -3.383 -10.704 -13.961 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.827 -12.903 -12.427 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.307 -14.074 -14.644 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.436 -12.727 -14.366 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.065 -12.522 -15.482 1.00 0.00 H new ATOM 626 N MET A 44 -0.203 -12.141 -14.123 1.00 0.00 N ATOM 627 CA MET A 44 1.178 -12.457 -14.479 1.00 0.00 C ATOM 628 C MET A 44 2.163 -11.549 -13.724 1.00 0.00 C ATOM 629 O MET A 44 3.358 -11.537 -14.024 1.00 0.00 O ATOM 630 CB MET A 44 1.320 -12.320 -16.005 1.00 0.00 C ATOM 631 CG MET A 44 0.465 -13.308 -16.816 1.00 0.00 C ATOM 632 SD MET A 44 1.162 -14.966 -17.033 1.00 0.00 S ATOM 633 CE MET A 44 0.435 -15.890 -15.653 1.00 0.00 C ATOM 0 H MET A 44 -0.441 -11.167 -14.311 1.00 0.00 H new ATOM 0 HA MET A 44 1.420 -13.478 -14.186 1.00 0.00 H new ATOM 0 HB2 MET A 44 1.050 -11.304 -16.293 1.00 0.00 H new ATOM 0 HB3 MET A 44 2.367 -12.459 -16.274 1.00 0.00 H new ATOM 0 HG2 MET A 44 -0.505 -13.404 -16.328 1.00 0.00 H new ATOM 0 HG3 MET A 44 0.285 -12.879 -17.802 1.00 0.00 H new ATOM 0 HE1 MET A 44 0.436 -16.955 -15.887 1.00 0.00 H new ATOM 0 HE2 MET A 44 1.021 -15.716 -14.750 1.00 0.00 H new ATOM 0 HE3 MET A 44 -0.590 -15.555 -15.491 1.00 0.00 H new ATOM 643 N GLY A 45 1.689 -10.733 -12.779 1.00 0.00 N ATOM 644 CA GLY A 45 2.523 -9.826 -12.005 1.00 0.00 C ATOM 645 C GLY A 45 3.050 -10.520 -10.755 1.00 0.00 C ATOM 646 O GLY A 45 2.540 -11.560 -10.334 1.00 0.00 O ATOM 0 H GLY A 45 0.701 -10.687 -12.531 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.357 -9.480 -12.615 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.947 -8.944 -11.723 1.00 0.00 H new ATOM 650 N SER A 46 4.023 -9.882 -10.105 1.00 0.00 N ATOM 651 CA SER A 46 4.596 -10.328 -8.843 1.00 0.00 C ATOM 652 C SER A 46 3.562 -10.367 -7.705 1.00 0.00 C ATOM 653 O SER A 46 3.854 -10.947 -6.660 1.00 0.00 O ATOM 654 CB SER A 46 5.805 -9.449 -8.481 1.00 0.00 C ATOM 655 OG SER A 46 6.862 -10.206 -7.916 1.00 0.00 O ATOM 0 H SER A 46 4.442 -9.020 -10.453 1.00 0.00 H new ATOM 0 HA SER A 46 4.933 -11.356 -8.974 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.163 -8.938 -9.375 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.494 -8.678 -7.776 1.00 0.00 H new ATOM 0 HG SER A 46 7.611 -9.612 -7.701 1.00 0.00 H new ATOM 661 N ALA A 47 2.377 -9.770 -7.884 1.00 0.00 N ATOM 662 CA ALA A 47 1.247 -9.944 -6.988 1.00 0.00 C ATOM 663 C ALA A 47 0.705 -11.371 -7.095 1.00 0.00 C ATOM 664 O ALA A 47 0.853 -12.127 -6.139 1.00 0.00 O ATOM 665 CB ALA A 47 0.165 -8.900 -7.278 1.00 0.00 C ATOM 0 H ALA A 47 2.182 -9.147 -8.667 1.00 0.00 H new ATOM 0 HA ALA A 47 1.579 -9.790 -5.961 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.673 -9.046 -6.597 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.577 -7.901 -7.137 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.180 -9.009 -8.306 1.00 0.00 H new ATOM 671 N ASP A 48 0.088 -11.740 -8.224 1.00 0.00 N ATOM 672 CA ASP A 48 -0.603 -13.026 -8.375 1.00 0.00 C ATOM 673 C ASP A 48 0.316 -14.204 -8.078 1.00 0.00 C ATOM 674 O ASP A 48 -0.049 -15.122 -7.351 1.00 0.00 O ATOM 675 CB ASP A 48 -1.161 -13.193 -9.787 1.00 0.00 C ATOM 676 CG ASP A 48 -1.891 -14.532 -9.914 1.00 0.00 C ATOM 677 OD1 ASP A 48 -3.086 -14.587 -9.554 1.00 0.00 O ATOM 678 OD2 ASP A 48 -1.328 -15.514 -10.450 1.00 0.00 O ATOM 0 H ASP A 48 0.054 -11.155 -9.059 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.420 -13.019 -7.653 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.845 -12.375 -10.014 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.351 -13.142 -10.514 1.00 0.00 H new ATOM 683 N ARG A 49 1.546 -14.149 -8.591 1.00 0.00 N ATOM 684 CA ARG A 49 2.539 -15.189 -8.351 1.00 0.00 C ATOM 685 C ARG A 49 2.988 -15.288 -6.891 1.00 0.00 C ATOM 686 O ARG A 49 3.685 -16.248 -6.572 1.00 0.00 O ATOM 687 CB ARG A 49 3.711 -15.025 -9.327 1.00 0.00 C ATOM 688 CG ARG A 49 4.553 -13.772 -9.150 1.00 0.00 C ATOM 689 CD ARG A 49 5.912 -14.035 -8.474 1.00 0.00 C ATOM 690 NE ARG A 49 6.904 -13.025 -8.875 1.00 0.00 N ATOM 691 CZ ARG A 49 7.660 -13.040 -9.981 1.00 0.00 C ATOM 692 NH1 ARG A 49 7.673 -14.083 -10.806 1.00 0.00 N ATOM 693 NH2 ARG A 49 8.407 -11.982 -10.253 1.00 0.00 N ATOM 0 H ARG A 49 1.877 -13.386 -9.181 1.00 0.00 H new ATOM 0 HA ARG A 49 2.061 -16.149 -8.545 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.363 -15.894 -9.231 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.316 -15.033 -10.343 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.724 -13.318 -10.126 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.994 -13.049 -8.555 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.792 -14.022 -7.391 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.270 -15.029 -8.743 1.00 0.00 H new ATOM 0 HE ARG A 49 7.029 -12.232 -8.246 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.097 -14.900 -10.604 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.259 -14.066 -11.641 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.399 -11.177 -9.626 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.991 -11.971 -11.090 1.00 0.00 H new ATOM 707 N ASP A 50 2.636 -14.349 -6.011 1.00 0.00 N ATOM 708 CA ASP A 50 2.804 -14.508 -4.563 1.00 0.00 C ATOM 709 C ASP A 50 1.660 -15.352 -3.998 1.00 0.00 C ATOM 710 O ASP A 50 1.915 -16.306 -3.257 1.00 0.00 O ATOM 711 CB ASP A 50 2.896 -13.145 -3.835 1.00 0.00 C ATOM 712 CG ASP A 50 3.949 -13.141 -2.727 1.00 0.00 C ATOM 713 OD1 ASP A 50 5.095 -13.576 -2.995 1.00 0.00 O ATOM 714 OD2 ASP A 50 3.731 -12.559 -1.639 1.00 0.00 O ATOM 0 H ASP A 50 2.226 -13.455 -6.281 1.00 0.00 H new ATOM 0 HA ASP A 50 3.749 -15.023 -4.389 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.133 -12.366 -4.559 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.924 -12.899 -3.408 1.00 0.00 H new ATOM 719 N GLY A 51 0.413 -15.045 -4.388 1.00 0.00 N ATOM 720 CA GLY A 51 -0.773 -15.852 -4.106 1.00 0.00 C ATOM 721 C GLY A 51 -1.592 -15.366 -2.907 1.00 0.00 C ATOM 722 O GLY A 51 -2.082 -16.187 -2.131 1.00 0.00 O ATOM 0 H GLY A 51 0.201 -14.203 -4.923 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.412 -15.860 -4.989 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.464 -16.882 -3.927 1.00 0.00 H new ATOM 726 N ARG A 52 -1.718 -14.051 -2.698 1.00 0.00 N ATOM 727 CA ARG A 52 -2.323 -13.474 -1.495 1.00 0.00 C ATOM 728 C ARG A 52 -3.431 -12.476 -1.816 1.00 0.00 C ATOM 729 O ARG A 52 -4.578 -12.698 -1.418 1.00 0.00 O ATOM 730 CB ARG A 52 -1.230 -12.860 -0.608 1.00 0.00 C ATOM 731 CG ARG A 52 -0.219 -13.914 -0.111 1.00 0.00 C ATOM 732 CD ARG A 52 0.543 -13.434 1.129 1.00 0.00 C ATOM 733 NE ARG A 52 -0.366 -13.308 2.283 1.00 0.00 N ATOM 734 CZ ARG A 52 -0.593 -14.198 3.251 1.00 0.00 C ATOM 735 NH1 ARG A 52 0.033 -15.367 3.293 1.00 0.00 N ATOM 736 NH2 ARG A 52 -1.478 -13.889 4.182 1.00 0.00 N ATOM 0 H ARG A 52 -1.399 -13.351 -3.367 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.808 -14.278 -0.942 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.702 -12.089 -1.168 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.693 -12.371 0.249 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.745 -14.840 0.122 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.490 -14.141 -0.907 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.343 -14.136 1.365 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.013 -12.472 0.923 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.885 -12.433 2.350 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.712 -15.608 2.571 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.164 -16.024 4.048 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.964 -12.993 4.146 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.675 -14.547 4.936 1.00 0.00 H new ATOM 750 N LEU A 53 -3.108 -11.375 -2.493 1.00 0.00 N ATOM 751 CA LEU A 53 -4.062 -10.331 -2.860 1.00 0.00 C ATOM 752 C LEU A 53 -5.143 -10.895 -3.759 1.00 0.00 C ATOM 753 O LEU A 53 -4.837 -11.650 -4.683 1.00 0.00 O ATOM 754 CB LEU A 53 -3.364 -9.236 -3.675 1.00 0.00 C ATOM 755 CG LEU A 53 -2.555 -8.266 -2.817 1.00 0.00 C ATOM 756 CD1 LEU A 53 -1.598 -7.504 -3.738 1.00 0.00 C ATOM 757 CD2 LEU A 53 -3.485 -7.281 -2.109 1.00 0.00 C ATOM 0 H LEU A 53 -2.157 -11.181 -2.808 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.480 -9.936 -1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.703 -9.702 -4.405 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.113 -8.676 -4.235 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.998 -8.816 -2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.007 -6.803 -3.149 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.933 -8.210 -4.236 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.172 -6.956 -4.486 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.894 -6.596 -1.501 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.048 -6.715 -2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.177 -7.829 -1.469 1.00 0.00 H new ATOM 769 N HIS A 54 -6.366 -10.413 -3.589 1.00 0.00 N ATOM 770 CA HIS A 54 -7.456 -10.622 -4.529 1.00 0.00 C ATOM 771 C HIS A 54 -8.055 -9.278 -4.931 1.00 0.00 C ATOM 772 O HIS A 54 -8.011 -8.317 -4.157 1.00 0.00 O ATOM 773 CB HIS A 54 -8.531 -11.515 -3.902 1.00 0.00 C ATOM 774 CG HIS A 54 -8.145 -12.965 -3.745 1.00 0.00 C ATOM 775 ND1 HIS A 54 -8.804 -13.871 -2.949 1.00 0.00 N ATOM 776 CD2 HIS A 54 -7.188 -13.654 -4.445 1.00 0.00 C ATOM 777 CE1 HIS A 54 -8.263 -15.080 -3.164 1.00 0.00 C ATOM 778 NE2 HIS A 54 -7.263 -14.994 -4.061 1.00 0.00 N ATOM 0 H HIS A 54 -6.633 -9.855 -2.778 1.00 0.00 H new ATOM 0 HA HIS A 54 -7.068 -11.118 -5.419 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -8.787 -11.115 -2.921 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -9.431 -11.459 -4.514 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -6.500 -13.235 -5.164 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -8.584 -15.993 -2.685 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -6.675 -15.758 -4.395 1.00 0.00 H new ATOM 786 N PRO A 55 -8.647 -9.198 -6.134 1.00 0.00 N ATOM 787 CA PRO A 55 -9.517 -8.094 -6.489 1.00 0.00 C ATOM 788 C PRO A 55 -10.613 -7.952 -5.431 1.00 0.00 C ATOM 789 O PRO A 55 -11.137 -8.950 -4.931 1.00 0.00 O ATOM 790 CB PRO A 55 -10.090 -8.436 -7.868 1.00 0.00 C ATOM 791 CG PRO A 55 -9.184 -9.540 -8.411 1.00 0.00 C ATOM 792 CD PRO A 55 -8.672 -10.227 -7.161 1.00 0.00 C ATOM 0 HA PRO A 55 -8.992 -7.139 -6.528 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -11.123 -8.775 -7.793 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.087 -7.565 -8.524 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.733 -10.230 -9.052 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.368 -9.132 -9.007 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.322 -11.053 -6.873 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.678 -10.645 -7.322 1.00 0.00 H new ATOM 800 N GLY A 56 -10.975 -6.715 -5.103 1.00 0.00 N ATOM 801 CA GLY A 56 -12.014 -6.421 -4.131 1.00 0.00 C ATOM 802 C GLY A 56 -11.547 -6.443 -2.681 1.00 0.00 C ATOM 803 O GLY A 56 -12.334 -6.038 -1.825 1.00 0.00 O ATOM 0 H GLY A 56 -10.549 -5.883 -5.511 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.431 -5.438 -4.350 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.821 -7.144 -4.251 1.00 0.00 H new ATOM 807 N ASP A 57 -10.319 -6.883 -2.381 1.00 0.00 N ATOM 808 CA ASP A 57 -9.790 -6.790 -1.021 1.00 0.00 C ATOM 809 C ASP A 57 -9.705 -5.310 -0.672 1.00 0.00 C ATOM 810 O ASP A 57 -9.153 -4.531 -1.445 1.00 0.00 O ATOM 811 CB ASP A 57 -8.409 -7.452 -0.865 1.00 0.00 C ATOM 812 CG ASP A 57 -8.432 -8.980 -0.847 1.00 0.00 C ATOM 813 OD1 ASP A 57 -9.513 -9.572 -0.607 1.00 0.00 O ATOM 814 OD2 ASP A 57 -7.357 -9.596 -1.030 1.00 0.00 O ATOM 0 H ASP A 57 -9.681 -7.303 -3.057 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.455 -7.328 -0.346 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.768 -7.121 -1.682 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.954 -7.098 0.060 1.00 0.00 H new ATOM 819 N GLU A 58 -10.292 -4.883 0.443 1.00 0.00 N ATOM 820 CA GLU A 58 -10.286 -3.484 0.833 1.00 0.00 C ATOM 821 C GLU A 58 -8.937 -3.178 1.463 1.00 0.00 C ATOM 822 O GLU A 58 -8.552 -3.845 2.422 1.00 0.00 O ATOM 823 CB GLU A 58 -11.421 -3.240 1.814 1.00 0.00 C ATOM 824 CG GLU A 58 -11.881 -1.778 1.864 1.00 0.00 C ATOM 825 CD GLU A 58 -13.193 -1.659 2.643 1.00 0.00 C ATOM 826 OE1 GLU A 58 -14.040 -2.586 2.577 1.00 0.00 O ATOM 827 OE2 GLU A 58 -13.376 -0.663 3.372 1.00 0.00 O ATOM 0 H GLU A 58 -10.781 -5.496 1.095 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.434 -2.831 -0.027 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.268 -3.870 1.542 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.102 -3.547 2.810 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.113 -1.164 2.336 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.016 -1.397 0.852 1.00 0.00 H new ATOM 834 N LEU A 59 -8.204 -2.228 0.900 1.00 0.00 N ATOM 835 CA LEU A 59 -6.909 -1.787 1.387 1.00 0.00 C ATOM 836 C LEU A 59 -7.088 -0.900 2.618 1.00 0.00 C ATOM 837 O LEU A 59 -8.098 -0.208 2.769 1.00 0.00 O ATOM 838 CB LEU A 59 -6.149 -1.044 0.267 1.00 0.00 C ATOM 839 CG LEU A 59 -5.095 -1.924 -0.435 1.00 0.00 C ATOM 840 CD1 LEU A 59 -4.411 -1.144 -1.552 1.00 0.00 C ATOM 841 CD2 LEU A 59 -3.955 -2.350 0.501 1.00 0.00 C ATOM 0 H LEU A 59 -8.506 -1.728 0.064 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.317 -2.655 1.679 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.864 -0.684 -0.473 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.659 -0.167 0.689 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.644 -2.794 -0.794 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.670 -1.779 -2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.155 -0.829 -2.284 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.919 -0.266 -1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.244 -2.967 -0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.447 -1.464 0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.363 -2.922 1.335 1.00 0.00 H new ATOM 853 N VAL A 60 -6.067 -0.885 3.470 1.00 0.00 N ATOM 854 CA VAL A 60 -6.030 -0.158 4.733 1.00 0.00 C ATOM 855 C VAL A 60 -4.734 0.632 4.814 1.00 0.00 C ATOM 856 O VAL A 60 -4.761 1.832 5.083 1.00 0.00 O ATOM 857 CB VAL A 60 -6.114 -1.127 5.928 1.00 0.00 C ATOM 858 CG1 VAL A 60 -6.429 -0.348 7.204 1.00 0.00 C ATOM 859 CG2 VAL A 60 -7.175 -2.205 5.750 1.00 0.00 C ATOM 0 H VAL A 60 -5.206 -1.402 3.290 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.886 0.515 4.775 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.144 -1.620 5.993 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.487 -1.038 8.046 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.642 0.383 7.388 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -7.383 0.167 7.090 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.184 -2.855 6.625 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.153 -1.738 5.635 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.949 -2.795 4.862 1.00 0.00 H new ATOM 869 N TYR A 61 -3.608 -0.036 4.566 1.00 0.00 N ATOM 870 CA TYR A 61 -2.282 0.534 4.670 1.00 0.00 C ATOM 871 C TYR A 61 -1.522 0.162 3.411 1.00 0.00 C ATOM 872 O TYR A 61 -1.676 -0.947 2.892 1.00 0.00 O ATOM 873 CB TYR A 61 -1.559 -0.013 5.905 1.00 0.00 C ATOM 874 CG TYR A 61 -2.186 0.342 7.240 1.00 0.00 C ATOM 875 CD1 TYR A 61 -1.930 1.607 7.796 1.00 0.00 C ATOM 876 CD2 TYR A 61 -3.031 -0.558 7.916 1.00 0.00 C ATOM 877 CE1 TYR A 61 -2.518 1.996 9.013 1.00 0.00 C ATOM 878 CE2 TYR A 61 -3.628 -0.182 9.131 1.00 0.00 C ATOM 879 CZ TYR A 61 -3.388 1.098 9.678 1.00 0.00 C ATOM 880 OH TYR A 61 -4.029 1.437 10.826 1.00 0.00 O ATOM 0 H TYR A 61 -3.602 -1.015 4.280 1.00 0.00 H new ATOM 0 HA TYR A 61 -2.344 1.617 4.774 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -1.509 -1.099 5.824 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.533 0.355 5.896 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -1.272 2.291 7.281 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -3.220 -1.537 7.501 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.309 2.968 9.435 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -4.274 -0.875 9.649 1.00 0.00 H new ATOM 0 HH TYR A 61 -4.581 0.685 11.127 1.00 0.00 H new ATOM 890 N VAL A 62 -0.694 1.089 2.954 1.00 0.00 N ATOM 891 CA VAL A 62 0.161 0.954 1.785 1.00 0.00 C ATOM 892 C VAL A 62 1.496 1.545 2.194 1.00 0.00 C ATOM 893 O VAL A 62 1.542 2.685 2.646 1.00 0.00 O ATOM 894 CB VAL A 62 -0.443 1.671 0.565 1.00 0.00 C ATOM 895 CG1 VAL A 62 0.553 1.724 -0.604 1.00 0.00 C ATOM 896 CG2 VAL A 62 -1.719 0.943 0.110 1.00 0.00 C ATOM 0 H VAL A 62 -0.596 1.997 3.409 1.00 0.00 H new ATOM 0 HA VAL A 62 0.270 -0.086 1.477 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.681 2.692 0.863 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.095 2.237 -1.450 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.449 2.263 -0.295 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.823 0.710 -0.898 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.142 1.456 -0.754 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.475 -0.084 -0.161 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.446 0.941 0.922 1.00 0.00 H new ATOM 906 N ASP A 63 2.561 0.750 2.110 1.00 0.00 N ATOM 907 CA ASP A 63 3.873 1.047 2.694 1.00 0.00 C ATOM 908 C ASP A 63 3.785 1.344 4.199 1.00 0.00 C ATOM 909 O ASP A 63 4.636 2.008 4.789 1.00 0.00 O ATOM 910 CB ASP A 63 4.577 2.157 1.906 1.00 0.00 C ATOM 911 CG ASP A 63 6.102 2.062 1.966 1.00 0.00 C ATOM 912 OD1 ASP A 63 6.668 1.202 2.683 1.00 0.00 O ATOM 913 OD2 ASP A 63 6.745 2.865 1.256 1.00 0.00 O ATOM 0 H ASP A 63 2.537 -0.145 1.620 1.00 0.00 H new ATOM 0 HA ASP A 63 4.489 0.152 2.610 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.257 2.114 0.865 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.264 3.126 2.296 1.00 0.00 H new ATOM 918 N GLY A 64 2.705 0.865 4.820 1.00 0.00 N ATOM 919 CA GLY A 64 2.362 1.109 6.203 1.00 0.00 C ATOM 920 C GLY A 64 1.577 2.400 6.428 1.00 0.00 C ATOM 921 O GLY A 64 1.135 2.611 7.555 1.00 0.00 O ATOM 0 H GLY A 64 2.024 0.273 4.344 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.775 0.269 6.575 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.278 1.145 6.793 1.00 0.00 H new ATOM 925 N ILE A 65 1.362 3.258 5.424 1.00 0.00 N ATOM 926 CA ILE A 65 0.714 4.545 5.596 1.00 0.00 C ATOM 927 C ILE A 65 -0.780 4.320 5.342 1.00 0.00 C ATOM 928 O ILE A 65 -1.138 3.693 4.340 1.00 0.00 O ATOM 929 CB ILE A 65 1.328 5.566 4.616 1.00 0.00 C ATOM 930 CG1 ILE A 65 2.826 5.352 4.286 1.00 0.00 C ATOM 931 CG2 ILE A 65 1.105 6.998 5.130 1.00 0.00 C ATOM 932 CD1 ILE A 65 3.839 5.136 5.407 1.00 0.00 C ATOM 0 H ILE A 65 1.640 3.067 4.461 1.00 0.00 H new ATOM 0 HA ILE A 65 0.856 4.950 6.598 1.00 0.00 H new ATOM 0 HB ILE A 65 0.801 5.403 3.676 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.890 4.489 3.623 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.157 6.219 3.714 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.543 7.709 4.429 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.036 7.190 5.220 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.578 7.112 6.105 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.833 5.005 4.979 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.840 6.002 6.068 1.00 0.00 H new ATOM 0 HD13 ILE A 65 3.569 4.246 5.975 1.00 0.00 H new ATOM 944 N PRO A 66 -1.659 4.761 6.254 1.00 0.00 N ATOM 945 CA PRO A 66 -3.077 4.487 6.178 1.00 0.00 C ATOM 946 C PRO A 66 -3.677 5.239 5.001 1.00 0.00 C ATOM 947 O PRO A 66 -3.664 6.471 4.957 1.00 0.00 O ATOM 948 CB PRO A 66 -3.698 4.896 7.515 1.00 0.00 C ATOM 949 CG PRO A 66 -2.624 5.748 8.186 1.00 0.00 C ATOM 950 CD PRO A 66 -1.324 5.438 7.484 1.00 0.00 C ATOM 0 HA PRO A 66 -3.277 3.429 6.009 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.619 5.460 7.369 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.950 4.025 8.120 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.864 6.808 8.105 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.555 5.517 9.249 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.768 6.353 7.281 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.689 4.810 8.109 1.00 0.00 H new ATOM 958 N VAL A 67 -4.232 4.474 4.069 1.00 0.00 N ATOM 959 CA VAL A 67 -5.049 4.954 2.965 1.00 0.00 C ATOM 960 C VAL A 67 -6.490 5.226 3.435 1.00 0.00 C ATOM 961 O VAL A 67 -7.308 5.742 2.672 1.00 0.00 O ATOM 962 CB VAL A 67 -4.948 3.937 1.803 1.00 0.00 C ATOM 963 CG1 VAL A 67 -3.472 3.790 1.381 1.00 0.00 C ATOM 964 CG2 VAL A 67 -5.561 2.547 2.072 1.00 0.00 C ATOM 0 H VAL A 67 -4.119 3.460 4.063 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.684 5.912 2.595 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.557 4.354 1.001 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.397 3.074 0.562 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.089 4.757 1.054 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.885 3.435 2.228 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.434 1.917 1.192 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.060 2.087 2.923 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.623 2.654 2.291 1.00 0.00 H new ATOM 974 N ALA A 68 -6.802 4.899 4.698 1.00 0.00 N ATOM 975 CA ALA A 68 -8.146 4.937 5.252 1.00 0.00 C ATOM 976 C ALA A 68 -8.676 6.369 5.210 1.00 0.00 C ATOM 977 O ALA A 68 -8.114 7.267 5.837 1.00 0.00 O ATOM 978 CB ALA A 68 -8.131 4.383 6.679 1.00 0.00 C ATOM 0 H ALA A 68 -6.101 4.594 5.373 1.00 0.00 H new ATOM 0 HA ALA A 68 -8.813 4.313 4.657 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -9.139 4.413 7.091 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.775 3.353 6.666 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.468 4.988 7.297 1.00 0.00 H new ATOM 984 N GLY A 69 -9.737 6.590 4.435 1.00 0.00 N ATOM 985 CA GLY A 69 -10.359 7.894 4.263 1.00 0.00 C ATOM 986 C GLY A 69 -9.520 8.881 3.447 1.00 0.00 C ATOM 987 O GLY A 69 -9.956 10.007 3.230 1.00 0.00 O ATOM 0 H GLY A 69 -10.194 5.851 3.901 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.325 7.763 3.774 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.555 8.324 5.245 1.00 0.00 H new ATOM 991 N LYS A 70 -8.318 8.536 2.995 1.00 0.00 N ATOM 992 CA LYS A 70 -7.578 9.304 2.009 1.00 0.00 C ATOM 993 C LYS A 70 -8.105 8.962 0.621 1.00 0.00 C ATOM 994 O LYS A 70 -8.826 7.982 0.433 1.00 0.00 O ATOM 995 CB LYS A 70 -6.103 8.974 2.182 1.00 0.00 C ATOM 996 CG LYS A 70 -5.622 9.280 3.599 1.00 0.00 C ATOM 997 CD LYS A 70 -5.699 10.768 3.920 1.00 0.00 C ATOM 998 CE LYS A 70 -4.820 11.058 5.134 1.00 0.00 C ATOM 999 NZ LYS A 70 -4.679 12.505 5.369 1.00 0.00 N ATOM 0 H LYS A 70 -7.826 7.700 3.311 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.704 10.379 2.140 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.937 7.920 1.960 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.515 9.547 1.465 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.226 8.723 4.315 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.594 8.937 3.715 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.366 11.356 3.065 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.730 11.057 4.124 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.251 10.586 6.017 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.835 10.616 4.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.076 12.664 6.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.245 12.951 4.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.617 12.923 5.536 1.00 0.00 H new ATOM 1013 N THR A 71 -7.765 9.782 -0.359 1.00 0.00 N ATOM 1014 CA THR A 71 -8.268 9.658 -1.722 1.00 0.00 C ATOM 1015 C THR A 71 -7.477 8.589 -2.495 1.00 0.00 C ATOM 1016 O THR A 71 -6.442 8.122 -2.028 1.00 0.00 O ATOM 1017 CB THR A 71 -8.212 11.042 -2.393 1.00 0.00 C ATOM 1018 OG1 THR A 71 -6.929 11.622 -2.200 1.00 0.00 O ATOM 1019 CG2 THR A 71 -9.288 11.969 -1.809 1.00 0.00 C ATOM 0 H THR A 71 -7.123 10.564 -0.231 1.00 0.00 H new ATOM 0 HA THR A 71 -9.305 9.323 -1.718 1.00 0.00 H new ATOM 0 HB THR A 71 -8.398 10.916 -3.460 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.938 12.174 -1.391 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.233 12.943 -2.296 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.273 11.534 -1.978 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.123 12.089 -0.738 1.00 0.00 H new ATOM 1027 N HIS A 72 -7.903 8.208 -3.701 1.00 0.00 N ATOM 1028 CA HIS A 72 -7.124 7.364 -4.609 1.00 0.00 C ATOM 1029 C HIS A 72 -5.737 7.979 -4.810 1.00 0.00 C ATOM 1030 O HIS A 72 -4.738 7.277 -4.638 1.00 0.00 O ATOM 1031 CB HIS A 72 -7.921 7.140 -5.920 1.00 0.00 C ATOM 1032 CG HIS A 72 -7.132 6.898 -7.193 1.00 0.00 C ATOM 1033 ND1 HIS A 72 -6.964 5.700 -7.870 1.00 0.00 N ATOM 1034 CD2 HIS A 72 -6.533 7.874 -7.943 1.00 0.00 C ATOM 1035 CE1 HIS A 72 -6.241 5.961 -8.976 1.00 0.00 C ATOM 1036 NE2 HIS A 72 -5.956 7.269 -9.057 1.00 0.00 N ATOM 0 H HIS A 72 -8.810 8.480 -4.079 1.00 0.00 H new ATOM 0 HA HIS A 72 -6.958 6.374 -4.185 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.583 6.287 -5.768 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -8.556 8.012 -6.080 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -6.512 8.929 -7.711 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -5.933 5.219 -9.698 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -5.421 7.731 -9.792 1.00 0.00 H new ATOM 1044 N ARG A 73 -5.645 9.275 -5.135 1.00 0.00 N ATOM 1045 CA ARG A 73 -4.377 9.913 -5.482 1.00 0.00 C ATOM 1046 C ARG A 73 -3.350 9.889 -4.345 1.00 0.00 C ATOM 1047 O ARG A 73 -2.154 9.833 -4.618 1.00 0.00 O ATOM 1048 CB ARG A 73 -4.665 11.327 -5.987 1.00 0.00 C ATOM 1049 CG ARG A 73 -3.388 11.996 -6.505 1.00 0.00 C ATOM 1050 CD ARG A 73 -3.651 12.902 -7.711 1.00 0.00 C ATOM 1051 NE ARG A 73 -4.467 14.076 -7.350 1.00 0.00 N ATOM 1052 CZ ARG A 73 -4.247 15.362 -7.653 1.00 0.00 C ATOM 1053 NH1 ARG A 73 -3.269 15.733 -8.469 1.00 0.00 N ATOM 1054 NH2 ARG A 73 -5.053 16.286 -7.155 1.00 0.00 N ATOM 0 H ARG A 73 -6.447 9.905 -5.164 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.905 9.335 -6.276 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.408 11.288 -6.783 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.092 11.925 -5.182 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.938 12.583 -5.704 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.665 11.228 -6.782 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.701 13.235 -8.129 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.159 12.332 -8.489 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.305 13.885 -6.800 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.658 15.030 -8.886 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.128 16.721 -8.680 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.828 16.014 -6.550 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.899 17.270 -7.376 1.00 0.00 H new ATOM 1068 N TYR A 74 -3.808 9.866 -3.093 1.00 0.00 N ATOM 1069 CA TYR A 74 -2.985 9.618 -1.909 1.00 0.00 C ATOM 1070 C TYR A 74 -2.120 8.370 -2.130 1.00 0.00 C ATOM 1071 O TYR A 74 -0.895 8.429 -2.084 1.00 0.00 O ATOM 1072 CB TYR A 74 -3.882 9.472 -0.687 1.00 0.00 C ATOM 1073 CG TYR A 74 -3.157 9.383 0.635 1.00 0.00 C ATOM 1074 CD1 TYR A 74 -2.908 10.548 1.382 1.00 0.00 C ATOM 1075 CD2 TYR A 74 -2.877 8.118 1.181 1.00 0.00 C ATOM 1076 CE1 TYR A 74 -2.356 10.453 2.671 1.00 0.00 C ATOM 1077 CE2 TYR A 74 -2.346 8.012 2.474 1.00 0.00 C ATOM 1078 CZ TYR A 74 -2.100 9.179 3.229 1.00 0.00 C ATOM 1079 OH TYR A 74 -1.780 9.077 4.546 1.00 0.00 O ATOM 0 H TYR A 74 -4.790 10.024 -2.868 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.315 10.461 -1.737 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.564 10.322 -0.653 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.493 8.578 -0.809 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -3.141 11.517 0.965 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.071 7.226 0.603 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.129 11.347 3.232 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -2.126 7.040 2.891 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.243 8.306 4.936 1.00 0.00 H new ATOM 1089 N VAL A 75 -2.760 7.239 -2.423 1.00 0.00 N ATOM 1090 CA VAL A 75 -2.116 5.948 -2.640 1.00 0.00 C ATOM 1091 C VAL A 75 -1.211 6.004 -3.865 1.00 0.00 C ATOM 1092 O VAL A 75 -0.138 5.415 -3.869 1.00 0.00 O ATOM 1093 CB VAL A 75 -3.182 4.861 -2.883 1.00 0.00 C ATOM 1094 CG1 VAL A 75 -2.520 3.495 -2.685 1.00 0.00 C ATOM 1095 CG2 VAL A 75 -4.412 4.993 -1.989 1.00 0.00 C ATOM 0 H VAL A 75 -3.775 7.197 -2.519 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.528 5.712 -1.753 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.553 4.979 -3.901 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.255 2.707 -2.852 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.700 3.382 -3.394 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.134 3.422 -1.668 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.116 4.193 -2.219 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.111 4.923 -0.944 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -4.888 5.958 -2.165 1.00 0.00 H new ATOM 1105 N ILE A 76 -1.627 6.685 -4.927 1.00 0.00 N ATOM 1106 CA ILE A 76 -0.849 6.747 -6.156 1.00 0.00 C ATOM 1107 C ILE A 76 0.489 7.471 -5.912 1.00 0.00 C ATOM 1108 O ILE A 76 1.492 7.160 -6.566 1.00 0.00 O ATOM 1109 CB ILE A 76 -1.734 7.389 -7.239 1.00 0.00 C ATOM 1110 CG1 ILE A 76 -3.027 6.597 -7.514 1.00 0.00 C ATOM 1111 CG2 ILE A 76 -0.998 7.552 -8.559 1.00 0.00 C ATOM 1112 CD1 ILE A 76 -2.871 5.139 -7.946 1.00 0.00 C ATOM 0 H ILE A 76 -2.504 7.204 -4.960 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.566 5.755 -6.507 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.995 8.366 -6.832 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -3.636 6.619 -6.610 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.587 7.121 -8.288 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.663 8.009 -9.292 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.126 8.189 -8.413 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.677 6.575 -8.920 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.856 4.700 -8.106 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.298 5.093 -8.872 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.348 4.583 -7.168 1.00 0.00 H new ATOM 1124 N ASP A 77 0.524 8.379 -4.931 1.00 0.00 N ATOM 1125 CA ASP A 77 1.740 9.009 -4.430 1.00 0.00 C ATOM 1126 C ASP A 77 2.577 8.025 -3.615 1.00 0.00 C ATOM 1127 O ASP A 77 3.804 8.011 -3.754 1.00 0.00 O ATOM 1128 CB ASP A 77 1.363 10.187 -3.527 1.00 0.00 C ATOM 1129 CG ASP A 77 2.408 11.293 -3.565 1.00 0.00 C ATOM 1130 OD1 ASP A 77 2.546 11.920 -4.640 1.00 0.00 O ATOM 1131 OD2 ASP A 77 2.988 11.625 -2.507 1.00 0.00 O ATOM 0 H ASP A 77 -0.318 8.701 -4.454 1.00 0.00 H new ATOM 0 HA ASP A 77 2.324 9.346 -5.286 1.00 0.00 H new ATOM 0 HB2 ASP A 77 0.399 10.589 -3.839 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.245 9.835 -2.502 1.00 0.00 H new ATOM 1136 N LEU A 78 1.917 7.203 -2.782 1.00 0.00 N ATOM 1137 CA LEU A 78 2.558 6.147 -2.006 1.00 0.00 C ATOM 1138 C LEU A 78 3.259 5.177 -2.938 1.00 0.00 C ATOM 1139 O LEU A 78 4.431 4.907 -2.727 1.00 0.00 O ATOM 1140 CB LEU A 78 1.586 5.329 -1.128 1.00 0.00 C ATOM 1141 CG LEU A 78 1.278 5.760 0.308 1.00 0.00 C ATOM 1142 CD1 LEU A 78 2.446 6.469 0.999 1.00 0.00 C ATOM 1143 CD2 LEU A 78 0.026 6.590 0.538 1.00 0.00 C ATOM 0 H LEU A 78 0.910 7.260 -2.632 1.00 0.00 H new ATOM 0 HA LEU A 78 3.255 6.659 -1.342 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.636 5.283 -1.660 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.975 4.312 -1.081 1.00 0.00 H new ATOM 0 HG LEU A 78 1.090 4.785 0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.156 6.745 2.013 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.306 5.800 1.038 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.709 7.367 0.439 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.066 6.823 1.599 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.094 7.516 -0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.849 6.027 0.213 1.00 0.00 H new ATOM 1155 N MET A 79 2.576 4.646 -3.952 1.00 0.00 N ATOM 1156 CA MET A 79 3.155 3.667 -4.863 1.00 0.00 C ATOM 1157 C MET A 79 4.447 4.188 -5.494 1.00 0.00 C ATOM 1158 O MET A 79 5.409 3.428 -5.623 1.00 0.00 O ATOM 1159 CB MET A 79 2.139 3.272 -5.945 1.00 0.00 C ATOM 1160 CG MET A 79 0.871 2.613 -5.395 1.00 0.00 C ATOM 1161 SD MET A 79 1.069 1.356 -4.102 1.00 0.00 S ATOM 1162 CE MET A 79 2.162 0.163 -4.909 1.00 0.00 C ATOM 0 H MET A 79 1.607 4.884 -4.162 1.00 0.00 H new ATOM 0 HA MET A 79 3.407 2.778 -4.284 1.00 0.00 H new ATOM 0 HB2 MET A 79 1.859 4.162 -6.509 1.00 0.00 H new ATOM 0 HB3 MET A 79 2.617 2.588 -6.646 1.00 0.00 H new ATOM 0 HG2 MET A 79 0.227 3.400 -5.002 1.00 0.00 H new ATOM 0 HG3 MET A 79 0.341 2.155 -6.230 1.00 0.00 H new ATOM 0 HE1 MET A 79 2.087 -0.799 -4.403 1.00 0.00 H new ATOM 0 HE2 MET A 79 1.868 0.048 -5.952 1.00 0.00 H new ATOM 0 HE3 MET A 79 3.191 0.520 -4.859 1.00 0.00 H new ATOM 1172 N HIS A 80 4.490 5.477 -5.846 1.00 0.00 N ATOM 1173 CA HIS A 80 5.687 6.124 -6.367 1.00 0.00 C ATOM 1174 C HIS A 80 6.822 6.089 -5.330 1.00 0.00 C ATOM 1175 O HIS A 80 7.968 5.800 -5.681 1.00 0.00 O ATOM 1176 CB HIS A 80 5.355 7.569 -6.793 1.00 0.00 C ATOM 1177 CG HIS A 80 5.677 7.890 -8.232 1.00 0.00 C ATOM 1178 ND1 HIS A 80 6.838 7.567 -8.900 1.00 0.00 N ATOM 1179 CD2 HIS A 80 4.911 8.656 -9.071 1.00 0.00 C ATOM 1180 CE1 HIS A 80 6.770 8.125 -10.122 1.00 0.00 C ATOM 1181 NE2 HIS A 80 5.626 8.816 -10.266 1.00 0.00 N ATOM 0 H HIS A 80 3.686 6.101 -5.775 1.00 0.00 H new ATOM 0 HA HIS A 80 6.034 5.578 -7.245 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.293 7.749 -6.623 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.902 8.258 -6.150 1.00 0.00 H new ATOM 0 HD2 HIS A 80 3.935 9.062 -8.852 1.00 0.00 H new ATOM 0 HE1 HIS A 80 7.530 8.031 -10.883 1.00 0.00 H new ATOM 0 HE2 HIS A 80 5.335 9.351 -11.084 1.00 0.00 H new ATOM 1189 N HIS A 81 6.509 6.373 -4.062 1.00 0.00 N ATOM 1190 CA HIS A 81 7.451 6.363 -2.949 1.00 0.00 C ATOM 1191 C HIS A 81 7.938 4.949 -2.631 1.00 0.00 C ATOM 1192 O HIS A 81 9.145 4.724 -2.523 1.00 0.00 O ATOM 1193 CB HIS A 81 6.817 7.019 -1.703 1.00 0.00 C ATOM 1194 CG HIS A 81 7.390 8.386 -1.442 1.00 0.00 C ATOM 1195 ND1 HIS A 81 8.731 8.669 -1.416 1.00 0.00 N ATOM 1196 CD2 HIS A 81 6.714 9.556 -1.212 1.00 0.00 C ATOM 1197 CE1 HIS A 81 8.865 9.986 -1.253 1.00 0.00 C ATOM 1198 NE2 HIS A 81 7.665 10.584 -1.147 1.00 0.00 N ATOM 0 H HIS A 81 5.562 6.624 -3.778 1.00 0.00 H new ATOM 0 HA HIS A 81 8.323 6.946 -3.246 1.00 0.00 H new ATOM 0 HB2 HIS A 81 5.739 7.097 -1.841 1.00 0.00 H new ATOM 0 HB3 HIS A 81 6.982 6.383 -0.833 1.00 0.00 H new ATOM 0 HD2 HIS A 81 5.645 9.666 -1.101 1.00 0.00 H new ATOM 0 HE1 HIS A 81 9.812 10.504 -1.212 1.00 0.00 H new ATOM 0 HE2 HIS A 81 7.484 11.582 -1.041 1.00 0.00 H new ATOM 1206 N ALA A 82 7.016 3.999 -2.505 1.00 0.00 N ATOM 1207 CA ALA A 82 7.262 2.594 -2.231 1.00 0.00 C ATOM 1208 C ALA A 82 8.186 2.000 -3.296 1.00 0.00 C ATOM 1209 O ALA A 82 9.084 1.212 -2.991 1.00 0.00 O ATOM 1210 CB ALA A 82 5.914 1.872 -2.190 1.00 0.00 C ATOM 0 H ALA A 82 6.021 4.205 -2.597 1.00 0.00 H new ATOM 0 HA ALA A 82 7.762 2.474 -1.270 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.074 0.813 -1.985 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.294 2.304 -1.404 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.412 1.984 -3.151 1.00 0.00 H new ATOM 1216 N ALA A 83 8.030 2.425 -4.555 1.00 0.00 N ATOM 1217 CA ALA A 83 8.923 2.014 -5.623 1.00 0.00 C ATOM 1218 C ALA A 83 10.377 2.413 -5.339 1.00 0.00 C ATOM 1219 O ALA A 83 11.276 1.640 -5.663 1.00 0.00 O ATOM 1220 CB ALA A 83 8.442 2.564 -6.969 1.00 0.00 C ATOM 0 H ALA A 83 7.286 3.057 -4.851 1.00 0.00 H new ATOM 0 HA ALA A 83 8.901 0.925 -5.674 1.00 0.00 H new ATOM 0 HB1 ALA A 83 9.124 2.245 -7.757 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.442 2.186 -7.180 1.00 0.00 H new ATOM 0 HB3 ALA A 83 8.417 3.653 -6.929 1.00 0.00 H new ATOM 1226 N ARG A 84 10.638 3.579 -4.733 1.00 0.00 N ATOM 1227 CA ARG A 84 11.991 3.975 -4.315 1.00 0.00 C ATOM 1228 C ARG A 84 12.464 3.134 -3.133 1.00 0.00 C ATOM 1229 O ARG A 84 13.634 2.763 -3.067 1.00 0.00 O ATOM 1230 CB ARG A 84 12.063 5.445 -3.902 1.00 0.00 C ATOM 1231 CG ARG A 84 11.446 6.403 -4.920 1.00 0.00 C ATOM 1232 CD ARG A 84 11.872 7.824 -4.580 1.00 0.00 C ATOM 1233 NE ARG A 84 11.404 8.788 -5.584 1.00 0.00 N ATOM 1234 CZ ARG A 84 11.636 10.105 -5.581 1.00 0.00 C ATOM 1235 NH1 ARG A 84 12.374 10.658 -4.624 1.00 0.00 N ATOM 1236 NH2 ARG A 84 11.104 10.850 -6.541 1.00 0.00 N ATOM 0 H ARG A 84 9.921 4.272 -4.519 1.00 0.00 H new ATOM 0 HA ARG A 84 12.632 3.814 -5.181 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.555 5.569 -2.946 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.107 5.718 -3.746 1.00 0.00 H new ATOM 0 HG2 ARG A 84 11.771 6.143 -5.927 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.359 6.321 -4.904 1.00 0.00 H new ATOM 0 HD2 ARG A 84 11.477 8.098 -3.602 1.00 0.00 H new ATOM 0 HD3 ARG A 84 12.959 7.871 -4.510 1.00 0.00 H new ATOM 0 HE ARG A 84 10.850 8.418 -6.356 1.00 0.00 H new ATOM 0 HH11 ARG A 84 12.768 10.077 -3.884 1.00 0.00 H new ATOM 0 HH12 ARG A 84 12.546 11.663 -4.629 1.00 0.00 H new ATOM 0 HH21 ARG A 84 10.530 10.416 -7.264 1.00 0.00 H new ATOM 0 HH22 ARG A 84 11.269 11.856 -6.556 1.00 0.00 H new ATOM 1250 N ASN A 85 11.557 2.849 -2.190 1.00 0.00 N ATOM 1251 CA ASN A 85 11.867 2.062 -0.996 1.00 0.00 C ATOM 1252 C ASN A 85 12.213 0.616 -1.374 1.00 0.00 C ATOM 1253 O ASN A 85 12.880 -0.076 -0.606 1.00 0.00 O ATOM 1254 CB ASN A 85 10.708 2.112 0.026 1.00 0.00 C ATOM 1255 CG ASN A 85 10.454 3.520 0.564 1.00 0.00 C ATOM 1256 OD1 ASN A 85 11.377 4.303 0.773 1.00 0.00 O ATOM 1257 ND2 ASN A 85 9.220 3.931 0.777 1.00 0.00 N ATOM 0 H ASN A 85 10.587 3.160 -2.236 1.00 0.00 H new ATOM 0 HA ASN A 85 12.742 2.504 -0.519 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.799 1.738 -0.444 1.00 0.00 H new ATOM 0 HB3 ASN A 85 10.934 1.445 0.858 1.00 0.00 H new ATOM 0 HD21 ASN A 85 9.049 4.880 1.108 1.00 0.00 H new ATOM 0 HD22 ASN A 85 8.436 3.300 0.611 1.00 0.00 H new ATOM 1264 N GLY A 86 11.801 0.154 -2.560 1.00 0.00 N ATOM 1265 CA GLY A 86 12.142 -1.154 -3.104 1.00 0.00 C ATOM 1266 C GLY A 86 11.151 -2.240 -2.683 1.00 0.00 C ATOM 1267 O GLY A 86 11.404 -3.426 -2.909 1.00 0.00 O ATOM 0 H GLY A 86 11.204 0.700 -3.181 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.171 -1.095 -4.192 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.143 -1.432 -2.773 1.00 0.00 H new ATOM 1271 N GLN A 87 10.042 -1.879 -2.038 1.00 0.00 N ATOM 1272 CA GLN A 87 9.081 -2.792 -1.434 1.00 0.00 C ATOM 1273 C GLN A 87 7.791 -2.022 -1.169 1.00 0.00 C ATOM 1274 O GLN A 87 7.810 -0.792 -1.141 1.00 0.00 O ATOM 1275 CB GLN A 87 9.666 -3.375 -0.129 1.00 0.00 C ATOM 1276 CG GLN A 87 10.124 -2.323 0.909 1.00 0.00 C ATOM 1277 CD GLN A 87 9.189 -2.174 2.111 1.00 0.00 C ATOM 1278 OE1 GLN A 87 7.968 -2.312 2.020 1.00 0.00 O ATOM 1279 NE2 GLN A 87 9.742 -1.893 3.277 1.00 0.00 N ATOM 0 H GLN A 87 9.781 -0.900 -1.919 1.00 0.00 H new ATOM 0 HA GLN A 87 8.868 -3.626 -2.102 1.00 0.00 H new ATOM 0 HB2 GLN A 87 8.916 -4.017 0.333 1.00 0.00 H new ATOM 0 HB3 GLN A 87 10.516 -4.009 -0.381 1.00 0.00 H new ATOM 0 HG2 GLN A 87 11.117 -2.593 1.268 1.00 0.00 H new ATOM 0 HG3 GLN A 87 10.216 -1.357 0.413 1.00 0.00 H new ATOM 0 HE21 GLN A 87 10.753 -1.780 3.348 1.00 0.00 H new ATOM 0 HE22 GLN A 87 9.158 -1.789 4.107 1.00 0.00 H new ATOM 1288 N VAL A 88 6.684 -2.728 -0.965 1.00 0.00 N ATOM 1289 CA VAL A 88 5.451 -2.150 -0.473 1.00 0.00 C ATOM 1290 C VAL A 88 4.804 -3.177 0.445 1.00 0.00 C ATOM 1291 O VAL A 88 4.605 -4.342 0.088 1.00 0.00 O ATOM 1292 CB VAL A 88 4.566 -1.683 -1.652 1.00 0.00 C ATOM 1293 CG1 VAL A 88 3.943 -2.823 -2.470 1.00 0.00 C ATOM 1294 CG2 VAL A 88 3.464 -0.722 -1.190 1.00 0.00 C ATOM 0 H VAL A 88 6.623 -3.731 -1.141 1.00 0.00 H new ATOM 0 HA VAL A 88 5.622 -1.246 0.111 1.00 0.00 H new ATOM 0 HB VAL A 88 5.256 -1.161 -2.315 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.339 -2.405 -3.275 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.734 -3.442 -2.893 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.313 -3.433 -1.823 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.864 -0.417 -2.048 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.827 -1.223 -0.461 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.917 0.158 -0.733 1.00 0.00 H new ATOM 1304 N ASN A 89 4.460 -2.731 1.644 1.00 0.00 N ATOM 1305 CA ASN A 89 3.511 -3.441 2.479 1.00 0.00 C ATOM 1306 C ASN A 89 2.122 -3.087 1.988 1.00 0.00 C ATOM 1307 O ASN A 89 1.869 -1.931 1.653 1.00 0.00 O ATOM 1308 CB ASN A 89 3.643 -2.960 3.925 1.00 0.00 C ATOM 1309 CG ASN A 89 4.461 -3.947 4.721 1.00 0.00 C ATOM 1310 OD1 ASN A 89 4.033 -5.074 4.944 1.00 0.00 O ATOM 1311 ND2 ASN A 89 5.677 -3.592 5.085 1.00 0.00 N ATOM 0 H ASN A 89 4.828 -1.875 2.060 1.00 0.00 H new ATOM 0 HA ASN A 89 3.693 -4.515 2.432 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.116 -1.979 3.949 1.00 0.00 H new ATOM 0 HB3 ASN A 89 2.655 -2.849 4.372 1.00 0.00 H new ATOM 0 HD21 ASN A 89 6.282 -4.260 5.562 1.00 0.00 H new ATOM 0 HD22 ASN A 89 6.013 -2.649 4.889 1.00 0.00 H new ATOM 1318 N LEU A 90 1.210 -4.047 1.981 1.00 0.00 N ATOM 1319 CA LEU A 90 -0.175 -3.867 1.590 1.00 0.00 C ATOM 1320 C LEU A 90 -0.964 -4.602 2.647 1.00 0.00 C ATOM 1321 O LEU A 90 -0.964 -5.831 2.666 1.00 0.00 O ATOM 1322 CB LEU A 90 -0.451 -4.444 0.190 1.00 0.00 C ATOM 1323 CG LEU A 90 0.406 -3.833 -0.927 1.00 0.00 C ATOM 1324 CD1 LEU A 90 0.323 -4.693 -2.183 1.00 0.00 C ATOM 1325 CD2 LEU A 90 -0.012 -2.400 -1.240 1.00 0.00 C ATOM 0 H LEU A 90 1.424 -5.005 2.257 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.446 -2.813 1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.281 -5.520 0.214 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.503 -4.292 -0.051 1.00 0.00 H new ATOM 0 HG LEU A 90 1.438 -3.807 -0.576 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.935 -4.250 -2.969 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.687 -5.696 -1.962 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.713 -4.749 -2.518 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.618 -2.003 -2.036 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.054 -2.387 -1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.100 -1.785 -0.347 1.00 0.00 H new ATOM 1337 N THR A 91 -1.593 -3.868 3.550 1.00 0.00 N ATOM 1338 CA THR A 91 -2.472 -4.447 4.541 1.00 0.00 C ATOM 1339 C THR A 91 -3.893 -4.217 4.024 1.00 0.00 C ATOM 1340 O THR A 91 -4.305 -3.064 3.865 1.00 0.00 O ATOM 1341 CB THR A 91 -2.231 -3.755 5.891 1.00 0.00 C ATOM 1342 OG1 THR A 91 -0.859 -3.659 6.219 1.00 0.00 O ATOM 1343 CG2 THR A 91 -2.957 -4.473 7.030 1.00 0.00 C ATOM 0 H THR A 91 -1.506 -2.854 3.613 1.00 0.00 H new ATOM 0 HA THR A 91 -2.297 -5.512 4.695 1.00 0.00 H new ATOM 0 HB THR A 91 -2.632 -2.748 5.776 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.588 -4.451 6.729 1.00 0.00 H new ATOM 0 HG21 THR A 91 -2.763 -3.955 7.969 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.029 -4.477 6.833 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.597 -5.499 7.101 1.00 0.00 H new ATOM 1351 N VAL A 92 -4.623 -5.291 3.729 1.00 0.00 N ATOM 1352 CA VAL A 92 -6.031 -5.264 3.344 1.00 0.00 C ATOM 1353 C VAL A 92 -6.859 -5.755 4.542 1.00 0.00 C ATOM 1354 O VAL A 92 -6.294 -6.302 5.485 1.00 0.00 O ATOM 1355 CB VAL A 92 -6.250 -6.083 2.045 1.00 0.00 C ATOM 1356 CG1 VAL A 92 -5.391 -5.593 0.869 1.00 0.00 C ATOM 1357 CG2 VAL A 92 -6.063 -7.590 2.251 1.00 0.00 C ATOM 0 H VAL A 92 -4.237 -6.235 3.752 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.363 -4.254 3.104 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.294 -5.910 1.783 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.591 -6.207 -0.009 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.635 -4.554 0.648 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.336 -5.670 1.132 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.229 -8.110 1.307 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.049 -7.787 2.600 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.778 -7.947 2.993 1.00 0.00 H new ATOM 1367 N ARG A 93 -8.184 -5.590 4.544 1.00 0.00 N ATOM 1368 CA ARG A 93 -9.079 -6.101 5.591 1.00 0.00 C ATOM 1369 C ARG A 93 -10.449 -6.440 5.037 1.00 0.00 C ATOM 1370 O ARG A 93 -10.872 -5.809 4.063 1.00 0.00 O ATOM 1371 CB ARG A 93 -9.208 -5.065 6.719 1.00 0.00 C ATOM 1372 CG ARG A 93 -10.058 -3.841 6.363 1.00 0.00 C ATOM 1373 CD ARG A 93 -10.127 -2.809 7.501 1.00 0.00 C ATOM 1374 NE ARG A 93 -10.298 -1.409 7.069 1.00 0.00 N ATOM 1375 CZ ARG A 93 -11.267 -0.856 6.326 1.00 0.00 C ATOM 1376 NH1 ARG A 93 -12.208 -1.570 5.719 1.00 0.00 N ATOM 1377 NH2 ARG A 93 -11.295 0.461 6.182 1.00 0.00 N ATOM 0 H ARG A 93 -8.676 -5.088 3.805 1.00 0.00 H new ATOM 0 HA ARG A 93 -8.644 -7.019 5.987 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -9.641 -5.551 7.593 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -8.211 -4.729 7.002 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -9.646 -3.366 5.473 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -11.068 -4.166 6.113 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -10.954 -3.073 8.160 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -9.214 -2.881 8.092 1.00 0.00 H new ATOM 0 HE ARG A 93 -9.571 -0.766 7.382 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -12.214 -2.586 5.808 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -12.925 -1.102 5.164 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -10.586 1.039 6.633 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -12.026 0.897 5.620 1.00 0.00 H new ATOM 1391 N ARG A 94 -11.167 -7.371 5.671 1.00 0.00 N ATOM 1392 CA ARG A 94 -12.551 -7.711 5.340 1.00 0.00 C ATOM 1393 C ARG A 94 -13.308 -8.050 6.622 1.00 0.00 C ATOM 1394 O ARG A 94 -12.814 -8.825 7.451 1.00 0.00 O ATOM 1395 CB ARG A 94 -12.603 -8.875 4.319 1.00 0.00 C ATOM 1396 CG ARG A 94 -12.605 -8.380 2.858 1.00 0.00 C ATOM 1397 CD ARG A 94 -11.901 -9.306 1.855 1.00 0.00 C ATOM 1398 NE ARG A 94 -12.813 -10.313 1.286 1.00 0.00 N ATOM 1399 CZ ARG A 94 -12.943 -10.602 -0.018 1.00 0.00 C ATOM 1400 NH1 ARG A 94 -12.165 -10.052 -0.941 1.00 0.00 N ATOM 1401 NH2 ARG A 94 -13.878 -11.442 -0.435 1.00 0.00 N ATOM 0 H ARG A 94 -10.793 -7.920 6.445 1.00 0.00 H new ATOM 0 HA ARG A 94 -13.033 -6.854 4.869 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -11.746 -9.530 4.476 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -13.497 -9.472 4.498 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -13.638 -8.243 2.539 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -12.127 -7.401 2.822 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -11.476 -8.708 1.049 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -11.071 -9.810 2.350 1.00 0.00 H new ATOM 0 HE ARG A 94 -13.396 -10.836 1.940 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -11.441 -9.387 -0.668 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -12.291 -10.294 -1.924 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -14.509 -11.877 0.238 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -13.967 -11.654 -1.429 1.00 0.00 H new ATOM 1415 N LYS A 95 -14.503 -7.476 6.797 1.00 0.00 N ATOM 1416 CA LYS A 95 -15.474 -7.868 7.820 1.00 0.00 C ATOM 1417 C LYS A 95 -15.726 -9.361 7.780 1.00 0.00 C ATOM 1418 O LYS A 95 -15.908 -9.959 6.714 1.00 0.00 O ATOM 1419 CB LYS A 95 -16.801 -7.088 7.689 1.00 0.00 C ATOM 1420 CG LYS A 95 -17.161 -6.251 8.934 1.00 0.00 C ATOM 1421 CD LYS A 95 -18.394 -6.712 9.725 1.00 0.00 C ATOM 1422 CE LYS A 95 -19.699 -6.481 8.949 1.00 0.00 C ATOM 1423 NZ LYS A 95 -20.851 -6.299 9.854 1.00 0.00 N ATOM 0 H LYS A 95 -14.829 -6.705 6.214 1.00 0.00 H new ATOM 0 HA LYS A 95 -15.041 -7.614 8.788 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -16.738 -6.427 6.825 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -17.608 -7.794 7.492 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -16.303 -6.250 9.606 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -17.321 -5.220 8.619 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -18.297 -7.771 9.962 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -18.437 -6.176 10.673 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -19.593 -5.601 8.314 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -19.885 -7.329 8.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -21.713 -6.146 9.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -20.968 -7.148 10.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -20.685 -5.474 10.466 1.00 0.00 H new