USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 676 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 33 ASN : amide:sc= 0.00356 K(o=0.035,f=-0.79) USER MOD Set 1.2: A 34 THR OG1 : rot 180:sc= 0.0311 USER MOD Single : A 1 GLN : amide:sc= -0.293 X(o=-0.29,f=-0.6) USER MOD Single : A 1 GLN N :NH3+ -107:sc=-0.00799 (180deg=-0.303) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 CYS SG : rot -90:sc= -0.261 USER MOD Single : A 14 THR OG1 : rot 65:sc= 0.723 USER MOD Single : A 17 CYS SG : rot -24:sc= 0.604 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 79:sc= 0.0997 USER MOD Single : A 22 LYS NZ :NH3+ -165:sc=-0.00978 (180deg=-0.145) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.0069) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.112 K(o=-0.11,f=-1.5) USER MOD Single : A 36 THR OG1 : rot -135:sc= 0.266 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot -110:sc= -0.209 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 160:sc= 0.136 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.298 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.475 K(o=-0.48,f=-1.8) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -14:sc= 0.875 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 1.985 -1.693 -1.640 1.00 0.00 N ATOM 2 CA GLN A 1 1.601 -0.303 -1.851 1.00 0.00 C ATOM 3 C GLN A 1 0.619 -0.180 -3.012 1.00 0.00 C ATOM 4 O GLN A 1 0.915 -0.591 -4.134 1.00 0.00 O ATOM 5 CB GLN A 1 2.838 0.555 -2.121 1.00 0.00 C ATOM 6 CG GLN A 1 3.439 1.168 -0.867 1.00 0.00 C ATOM 7 CD GLN A 1 4.069 0.133 0.045 1.00 0.00 C ATOM 8 OE1 GLN A 1 4.819 -0.733 -0.406 1.00 0.00 O ATOM 9 NE2 GLN A 1 3.766 0.218 1.335 1.00 0.00 N ATOM 0 H1 GLN A 1 1.528 -2.052 -0.777 1.00 0.00 H new ATOM 0 H2 GLN A 1 1.683 -2.264 -2.455 1.00 0.00 H new ATOM 0 H3 GLN A 1 3.018 -1.756 -1.537 1.00 0.00 H new ATOM 0 HA GLN A 1 1.111 0.054 -0.945 1.00 0.00 H new ATOM 0 HB2 GLN A 1 3.593 -0.057 -2.614 1.00 0.00 H new ATOM 0 HB3 GLN A 1 2.572 1.353 -2.814 1.00 0.00 H new ATOM 0 HG2 GLN A 1 4.192 1.903 -1.152 1.00 0.00 H new ATOM 0 HG3 GLN A 1 2.662 1.703 -0.321 1.00 0.00 H new ATOM 0 HE21 GLN A 1 3.140 0.953 1.664 1.00 0.00 H new ATOM 0 HE22 GLN A 1 4.160 -0.451 1.997 1.00 0.00 H new ATOM 18 N ARG A 2 -0.550 0.389 -2.735 1.00 0.00 N ATOM 19 CA ARG A 2 -1.575 0.564 -3.756 1.00 0.00 C ATOM 20 C ARG A 2 -1.023 1.329 -4.955 1.00 0.00 C ATOM 21 O ARG A 2 -1.301 0.986 -6.104 1.00 0.00 O ATOM 22 CB ARG A 2 -2.781 1.306 -3.176 1.00 0.00 C ATOM 23 CG ARG A 2 -4.097 0.949 -3.849 1.00 0.00 C ATOM 24 CD ARG A 2 -5.276 1.611 -3.153 1.00 0.00 C ATOM 25 NE ARG A 2 -5.515 2.964 -3.647 1.00 0.00 N ATOM 26 CZ ARG A 2 -6.604 3.668 -3.362 1.00 0.00 C ATOM 27 NH1 ARG A 2 -7.549 3.151 -2.589 1.00 0.00 N ATOM 28 NH2 ARG A 2 -6.750 4.894 -3.850 1.00 0.00 N ATOM 0 H ARG A 2 -0.810 0.736 -1.812 1.00 0.00 H new ATOM 0 HA ARG A 2 -1.891 -0.424 -4.091 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -2.855 1.085 -2.111 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -2.615 2.379 -3.268 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -4.069 1.259 -4.894 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -4.229 -0.133 -3.841 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -6.171 1.007 -3.303 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -5.091 1.645 -2.079 1.00 0.00 H new ATOM 0 HE ARG A 2 -4.807 3.392 -4.244 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -7.441 2.210 -2.211 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -8.384 3.695 -2.372 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -6.025 5.296 -4.445 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -7.587 5.434 -3.630 1.00 0.00 H new ATOM 42 N GLU A 3 -0.240 2.368 -4.679 1.00 0.00 N ATOM 43 CA GLU A 3 0.349 3.182 -5.736 1.00 0.00 C ATOM 44 C GLU A 3 1.373 2.380 -6.533 1.00 0.00 C ATOM 45 O GLU A 3 1.478 2.525 -7.750 1.00 0.00 O ATOM 46 CB GLU A 3 1.010 4.427 -5.142 1.00 0.00 C ATOM 47 CG GLU A 3 2.005 5.093 -6.078 1.00 0.00 C ATOM 48 CD GLU A 3 1.379 5.508 -7.395 1.00 0.00 C ATOM 49 OE1 GLU A 3 0.134 5.571 -7.467 1.00 0.00 O ATOM 50 OE2 GLU A 3 2.135 5.770 -8.354 1.00 0.00 O ATOM 0 H GLU A 3 0.001 2.665 -3.733 1.00 0.00 H new ATOM 0 HA GLU A 3 -0.450 3.490 -6.410 1.00 0.00 H new ATOM 0 HB2 GLU A 3 0.236 5.147 -4.876 1.00 0.00 H new ATOM 0 HB3 GLU A 3 1.520 4.152 -4.219 1.00 0.00 H new ATOM 0 HG2 GLU A 3 2.428 5.970 -5.588 1.00 0.00 H new ATOM 0 HG3 GLU A 3 2.830 4.408 -6.272 1.00 0.00 H new ATOM 57 N GLU A 4 2.126 1.534 -5.836 1.00 0.00 N ATOM 58 CA GLU A 4 3.143 0.710 -6.479 1.00 0.00 C ATOM 59 C GLU A 4 2.501 -0.352 -7.367 1.00 0.00 C ATOM 60 O GLU A 4 2.973 -0.620 -8.472 1.00 0.00 O ATOM 61 CB GLU A 4 4.031 0.042 -5.427 1.00 0.00 C ATOM 62 CG GLU A 4 5.029 0.989 -4.783 1.00 0.00 C ATOM 63 CD GLU A 4 6.156 1.376 -5.722 1.00 0.00 C ATOM 64 OE1 GLU A 4 6.954 0.488 -6.087 1.00 0.00 O ATOM 65 OE2 GLU A 4 6.239 2.566 -6.091 1.00 0.00 O ATOM 0 H GLU A 4 2.051 1.402 -4.827 1.00 0.00 H new ATOM 0 HA GLU A 4 3.758 1.358 -7.103 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.399 -0.389 -4.651 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.572 -0.782 -5.891 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.510 1.889 -4.454 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.448 0.519 -3.893 1.00 0.00 H new ATOM 72 N MET A 5 1.423 -0.953 -6.875 1.00 0.00 N ATOM 73 CA MET A 5 0.716 -1.986 -7.624 1.00 0.00 C ATOM 74 C MET A 5 0.048 -1.398 -8.862 1.00 0.00 C ATOM 75 O MET A 5 0.113 -1.975 -9.948 1.00 0.00 O ATOM 76 CB MET A 5 -0.331 -2.662 -6.737 1.00 0.00 C ATOM 77 CG MET A 5 0.260 -3.369 -5.528 1.00 0.00 C ATOM 78 SD MET A 5 1.125 -4.889 -5.967 1.00 0.00 S ATOM 79 CE MET A 5 2.828 -4.396 -5.714 1.00 0.00 C ATOM 0 H MET A 5 1.020 -0.743 -5.962 1.00 0.00 H new ATOM 0 HA MET A 5 1.444 -2.730 -7.945 1.00 0.00 H new ATOM 0 HB2 MET A 5 -1.045 -1.912 -6.396 1.00 0.00 H new ATOM 0 HB3 MET A 5 -0.888 -3.384 -7.333 1.00 0.00 H new ATOM 0 HG2 MET A 5 0.951 -2.696 -5.020 1.00 0.00 H new ATOM 0 HG3 MET A 5 -0.537 -3.600 -4.821 1.00 0.00 H new ATOM 0 HE1 MET A 5 3.487 -5.233 -5.945 1.00 0.00 H new ATOM 0 HE2 MET A 5 3.065 -3.556 -6.367 1.00 0.00 H new ATOM 0 HE3 MET A 5 2.970 -4.099 -4.675 1.00 0.00 H new ATOM 89 N VAL A 6 -0.596 -0.247 -8.692 1.00 0.00 N ATOM 90 CA VAL A 6 -1.276 0.419 -9.797 1.00 0.00 C ATOM 91 C VAL A 6 -0.276 0.940 -10.823 1.00 0.00 C ATOM 92 O VAL A 6 -0.488 0.820 -12.030 1.00 0.00 O ATOM 93 CB VAL A 6 -2.141 1.591 -9.298 1.00 0.00 C ATOM 94 CG1 VAL A 6 -2.803 2.302 -10.468 1.00 0.00 C ATOM 95 CG2 VAL A 6 -3.183 1.099 -8.305 1.00 0.00 C ATOM 0 H VAL A 6 -0.661 0.243 -7.800 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.920 -0.324 -10.267 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.495 2.305 -8.788 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.410 3.127 -10.096 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.037 2.689 -11.139 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.438 1.600 -11.009 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.785 1.941 -7.963 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.827 0.364 -8.788 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.684 0.639 -7.452 1.00 0.00 H new ATOM 105 N LYS A 7 0.815 1.520 -10.336 1.00 0.00 N ATOM 106 CA LYS A 7 1.851 2.060 -11.209 1.00 0.00 C ATOM 107 C LYS A 7 2.504 0.951 -12.028 1.00 0.00 C ATOM 108 O LYS A 7 2.711 1.094 -13.233 1.00 0.00 O ATOM 109 CB LYS A 7 2.912 2.792 -10.385 1.00 0.00 C ATOM 110 CG LYS A 7 3.829 3.671 -11.217 1.00 0.00 C ATOM 111 CD LYS A 7 5.001 4.186 -10.399 1.00 0.00 C ATOM 112 CE LYS A 7 6.171 4.581 -11.288 1.00 0.00 C ATOM 113 NZ LYS A 7 7.111 5.502 -10.592 1.00 0.00 N ATOM 0 H LYS A 7 1.005 1.629 -9.340 1.00 0.00 H new ATOM 0 HA LYS A 7 1.382 2.766 -11.894 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.416 3.407 -9.634 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.514 2.058 -9.849 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.201 3.105 -12.071 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.264 4.514 -11.615 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.684 5.046 -9.809 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.321 3.417 -9.695 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.707 3.685 -11.602 1.00 0.00 H new ATOM 0 HE3 LYS A 7 5.795 5.061 -12.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.894 5.747 -11.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.607 6.368 -10.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.490 5.035 -9.744 1.00 0.00 H new ATOM 127 N LYS A 8 2.826 -0.155 -11.366 1.00 0.00 N ATOM 128 CA LYS A 8 3.454 -1.291 -12.032 1.00 0.00 C ATOM 129 C LYS A 8 2.491 -1.942 -13.019 1.00 0.00 C ATOM 130 O LYS A 8 2.861 -2.243 -14.155 1.00 0.00 O ATOM 131 CB LYS A 8 3.917 -2.321 -11.000 1.00 0.00 C ATOM 132 CG LYS A 8 5.166 -3.079 -11.415 1.00 0.00 C ATOM 133 CD LYS A 8 5.166 -4.497 -10.870 1.00 0.00 C ATOM 134 CE LYS A 8 6.552 -5.120 -10.936 1.00 0.00 C ATOM 135 NZ LYS A 8 6.520 -6.577 -10.628 1.00 0.00 N ATOM 0 H LYS A 8 2.662 -0.289 -10.368 1.00 0.00 H new ATOM 0 HA LYS A 8 4.320 -0.924 -12.584 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.107 -1.815 -10.054 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.111 -3.034 -10.824 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.231 -3.107 -12.503 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.049 -2.551 -11.056 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.818 -4.491 -9.837 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.464 -5.107 -11.439 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.972 -4.968 -11.930 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.212 -4.614 -10.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.483 -6.965 -10.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.143 -6.721 -9.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.911 -7.064 -11.316 1.00 0.00 H new ATOM 149 N CYS A 9 1.256 -2.157 -12.580 1.00 0.00 N ATOM 150 CA CYS A 9 0.240 -2.772 -13.426 1.00 0.00 C ATOM 151 C CYS A 9 0.050 -1.977 -14.714 1.00 0.00 C ATOM 152 O CYS A 9 0.086 -2.535 -15.812 1.00 0.00 O ATOM 153 CB CYS A 9 -1.088 -2.872 -12.674 1.00 0.00 C ATOM 154 SG CYS A 9 -2.239 -4.083 -13.366 1.00 0.00 S ATOM 0 H CYS A 9 0.934 -1.914 -11.643 1.00 0.00 H new ATOM 0 HA CYS A 9 0.578 -3.775 -13.686 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.886 -3.131 -11.635 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.566 -1.893 -12.671 1.00 0.00 H new ATOM 0 HG CYS A 9 -2.992 -3.507 -14.255 1.00 0.00 H new ATOM 160 N LEU A 10 -0.154 -0.672 -14.572 1.00 0.00 N ATOM 161 CA LEU A 10 -0.352 0.201 -15.724 1.00 0.00 C ATOM 162 C LEU A 10 0.888 0.220 -16.612 1.00 0.00 C ATOM 163 O LEU A 10 0.791 0.123 -17.835 1.00 0.00 O ATOM 164 CB LEU A 10 -0.684 1.621 -15.262 1.00 0.00 C ATOM 165 CG LEU A 10 -1.609 2.425 -16.177 1.00 0.00 C ATOM 166 CD1 LEU A 10 -2.961 1.741 -16.303 1.00 0.00 C ATOM 167 CD2 LEU A 10 -1.774 3.844 -15.654 1.00 0.00 C ATOM 0 H LEU A 10 -0.187 -0.195 -13.671 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.187 -0.190 -16.305 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.143 1.563 -14.275 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.249 2.172 -15.147 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.156 2.474 -17.167 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.606 2.327 -16.958 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.827 0.744 -16.724 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.421 1.660 -15.318 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.435 4.402 -16.317 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.204 3.815 -14.653 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.801 4.333 -15.617 1.00 0.00 H new ATOM 179 N GLY A 11 2.055 0.344 -15.987 1.00 0.00 N ATOM 180 CA GLY A 11 3.298 0.371 -16.736 1.00 0.00 C ATOM 181 C GLY A 11 3.460 -0.838 -17.635 1.00 0.00 C ATOM 182 O GLY A 11 3.829 -0.707 -18.802 1.00 0.00 O ATOM 0 H GLY A 11 2.162 0.426 -14.976 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.334 1.277 -17.341 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.136 0.418 -16.041 1.00 0.00 H new ATOM 186 N GLU A 12 3.185 -2.020 -17.091 1.00 0.00 N ATOM 187 CA GLU A 12 3.305 -3.257 -17.853 1.00 0.00 C ATOM 188 C GLU A 12 2.213 -3.351 -18.915 1.00 0.00 C ATOM 189 O GLU A 12 2.457 -3.801 -20.035 1.00 0.00 O ATOM 190 CB GLU A 12 3.228 -4.467 -16.919 1.00 0.00 C ATOM 191 CG GLU A 12 4.544 -4.789 -16.230 1.00 0.00 C ATOM 192 CD GLU A 12 5.685 -4.977 -17.211 1.00 0.00 C ATOM 193 OE1 GLU A 12 5.553 -5.824 -18.119 1.00 0.00 O ATOM 194 OE2 GLU A 12 6.709 -4.277 -17.071 1.00 0.00 O ATOM 0 H GLU A 12 2.878 -2.146 -16.127 1.00 0.00 H new ATOM 0 HA GLU A 12 4.274 -3.253 -18.352 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.466 -4.283 -16.161 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.905 -5.337 -17.491 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.794 -3.985 -15.538 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.427 -5.696 -15.637 1.00 0.00 H new ATOM 201 N LEU A 13 1.008 -2.922 -18.555 1.00 0.00 N ATOM 202 CA LEU A 13 -0.123 -2.957 -19.476 1.00 0.00 C ATOM 203 C LEU A 13 0.156 -2.109 -20.712 1.00 0.00 C ATOM 204 O LEU A 13 -0.238 -2.463 -21.824 1.00 0.00 O ATOM 205 CB LEU A 13 -1.390 -2.461 -18.777 1.00 0.00 C ATOM 206 CG LEU A 13 -2.636 -3.330 -18.950 1.00 0.00 C ATOM 207 CD1 LEU A 13 -2.390 -4.730 -18.409 1.00 0.00 C ATOM 208 CD2 LEU A 13 -3.832 -2.691 -18.259 1.00 0.00 C ATOM 0 H LEU A 13 0.789 -2.546 -17.632 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.271 -3.989 -19.793 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.181 -2.369 -17.711 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.616 -1.460 -19.145 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.856 -3.408 -20.015 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.288 -5.334 -18.541 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.562 -5.188 -18.949 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.144 -4.672 -17.349 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.710 -3.323 -18.392 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.622 -2.582 -17.195 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.022 -1.710 -18.694 1.00 0.00 H new ATOM 220 N THR A 14 0.839 -0.986 -20.512 1.00 0.00 N ATOM 221 CA THR A 14 1.171 -0.087 -21.610 1.00 0.00 C ATOM 222 C THR A 14 2.013 -0.796 -22.665 1.00 0.00 C ATOM 223 O THR A 14 1.725 -0.714 -23.859 1.00 0.00 O ATOM 224 CB THR A 14 1.934 1.154 -21.109 1.00 0.00 C ATOM 225 OG1 THR A 14 1.145 1.857 -20.143 1.00 0.00 O ATOM 226 CG2 THR A 14 2.276 2.082 -22.265 1.00 0.00 C ATOM 0 H THR A 14 1.173 -0.678 -19.599 1.00 0.00 H new ATOM 0 HA THR A 14 0.228 0.231 -22.055 1.00 0.00 H new ATOM 0 HB THR A 14 2.862 0.820 -20.645 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.024 1.296 -19.349 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.814 2.951 -21.887 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.901 1.552 -22.984 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.358 2.408 -22.754 1.00 0.00 H new ATOM 234 N GLU A 15 3.053 -1.492 -22.216 1.00 0.00 N ATOM 235 CA GLU A 15 3.936 -2.215 -23.123 1.00 0.00 C ATOM 236 C GLU A 15 3.212 -3.397 -23.760 1.00 0.00 C ATOM 237 O GLU A 15 3.389 -3.683 -24.945 1.00 0.00 O ATOM 238 CB GLU A 15 5.179 -2.705 -22.378 1.00 0.00 C ATOM 239 CG GLU A 15 6.118 -1.587 -21.958 1.00 0.00 C ATOM 240 CD GLU A 15 6.737 -0.869 -23.142 1.00 0.00 C ATOM 241 OE1 GLU A 15 7.089 -1.547 -24.130 1.00 0.00 O ATOM 242 OE2 GLU A 15 6.868 0.371 -23.081 1.00 0.00 O ATOM 0 H GLU A 15 3.304 -1.570 -21.231 1.00 0.00 H new ATOM 0 HA GLU A 15 4.242 -1.530 -23.914 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.867 -3.258 -21.492 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.722 -3.404 -23.015 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.571 -0.868 -21.348 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.910 -1.999 -21.333 1.00 0.00 H new ATOM 249 N VAL A 16 2.396 -4.082 -22.965 1.00 0.00 N ATOM 250 CA VAL A 16 1.644 -5.233 -23.450 1.00 0.00 C ATOM 251 C VAL A 16 0.646 -4.824 -24.527 1.00 0.00 C ATOM 252 O VAL A 16 0.568 -5.448 -25.586 1.00 0.00 O ATOM 253 CB VAL A 16 0.889 -5.933 -22.305 1.00 0.00 C ATOM 254 CG1 VAL A 16 0.090 -7.114 -22.835 1.00 0.00 C ATOM 255 CG2 VAL A 16 1.859 -6.379 -21.221 1.00 0.00 C ATOM 0 H VAL A 16 2.239 -3.860 -21.982 1.00 0.00 H new ATOM 0 HA VAL A 16 2.368 -5.927 -23.876 1.00 0.00 H new ATOM 0 HB VAL A 16 0.191 -5.221 -21.865 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.437 -7.596 -22.011 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.633 -6.763 -23.572 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.766 -7.830 -23.302 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.308 -6.872 -20.420 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.583 -7.075 -21.645 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.382 -5.510 -20.821 1.00 0.00 H new ATOM 265 N CYS A 17 -0.117 -3.772 -24.250 1.00 0.00 N ATOM 266 CA CYS A 17 -1.112 -3.278 -25.195 1.00 0.00 C ATOM 267 C CYS A 17 -0.442 -2.594 -26.382 1.00 0.00 C ATOM 268 O CYS A 17 -0.986 -2.568 -27.486 1.00 0.00 O ATOM 269 CB CYS A 17 -2.066 -2.305 -24.501 1.00 0.00 C ATOM 270 SG CYS A 17 -1.339 -0.688 -24.144 1.00 0.00 S ATOM 0 H CYS A 17 -0.065 -3.245 -23.378 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.681 -4.131 -25.565 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.946 -2.165 -25.129 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.408 -2.752 -23.568 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.047 -0.802 -24.062 1.00 0.00 H new ATOM 276 N LYS A 18 0.742 -2.038 -26.147 1.00 0.00 N ATOM 277 CA LYS A 18 1.488 -1.352 -27.195 1.00 0.00 C ATOM 278 C LYS A 18 2.008 -2.344 -28.231 1.00 0.00 C ATOM 279 O LYS A 18 1.856 -2.136 -29.434 1.00 0.00 O ATOM 280 CB LYS A 18 2.657 -0.571 -26.590 1.00 0.00 C ATOM 281 CG LYS A 18 3.538 0.104 -27.627 1.00 0.00 C ATOM 282 CD LYS A 18 4.708 -0.781 -28.025 1.00 0.00 C ATOM 283 CE LYS A 18 5.813 0.023 -28.693 1.00 0.00 C ATOM 284 NZ LYS A 18 6.733 0.636 -27.695 1.00 0.00 N ATOM 0 H LYS A 18 1.206 -2.049 -25.239 1.00 0.00 H new ATOM 0 HA LYS A 18 0.812 -0.656 -27.691 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.265 0.186 -25.911 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.267 -1.250 -25.994 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.945 0.343 -28.510 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.913 1.047 -27.229 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.104 -1.282 -27.141 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.362 -1.560 -28.704 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.381 -0.625 -29.361 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.371 0.806 -29.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.472 1.175 -28.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.196 1.274 -27.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.174 -0.113 -27.124 1.00 0.00 H new ATOM 298 N SER A 19 2.621 -3.423 -27.755 1.00 0.00 N ATOM 299 CA SER A 19 3.165 -4.446 -28.640 1.00 0.00 C ATOM 300 C SER A 19 2.045 -5.223 -29.325 1.00 0.00 C ATOM 301 O SER A 19 2.081 -5.449 -30.536 1.00 0.00 O ATOM 302 CB SER A 19 4.061 -5.406 -27.855 1.00 0.00 C ATOM 303 OG SER A 19 5.172 -4.727 -27.298 1.00 0.00 O ATOM 0 H SER A 19 2.753 -3.611 -26.761 1.00 0.00 H new ATOM 0 HA SER A 19 3.760 -3.949 -29.406 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.484 -5.879 -27.060 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.410 -6.202 -28.512 1.00 0.00 H new ATOM 0 HG SER A 19 4.892 -4.252 -26.488 1.00 0.00 H new ATOM 309 N LEU A 20 1.051 -5.630 -28.543 1.00 0.00 N ATOM 310 CA LEU A 20 -0.081 -6.382 -29.073 1.00 0.00 C ATOM 311 C LEU A 20 -0.872 -5.544 -30.072 1.00 0.00 C ATOM 312 O LEU A 20 -1.268 -6.030 -31.130 1.00 0.00 O ATOM 313 CB LEU A 20 -0.994 -6.837 -27.934 1.00 0.00 C ATOM 314 CG LEU A 20 -0.622 -8.160 -27.263 1.00 0.00 C ATOM 315 CD1 LEU A 20 -1.169 -8.211 -25.845 1.00 0.00 C ATOM 316 CD2 LEU A 20 -1.140 -9.336 -28.079 1.00 0.00 C ATOM 0 H LEU A 20 1.006 -5.452 -27.540 1.00 0.00 H new ATOM 0 HA LEU A 20 0.307 -7.259 -29.591 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.007 -6.057 -27.172 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.009 -6.922 -28.321 1.00 0.00 H new ATOM 0 HG LEU A 20 0.465 -8.228 -27.214 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.895 -9.159 -25.383 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.750 -7.390 -25.264 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.255 -8.121 -25.870 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.866 -10.269 -27.587 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.225 -9.273 -28.160 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.700 -9.309 -29.076 1.00 0.00 H new ATOM 328 N GLY A 21 -1.098 -4.279 -29.727 1.00 0.00 N ATOM 329 CA GLY A 21 -1.840 -3.393 -30.604 1.00 0.00 C ATOM 330 C GLY A 21 -1.050 -3.003 -31.838 1.00 0.00 C ATOM 331 O GLY A 21 -1.621 -2.775 -32.904 1.00 0.00 O ATOM 0 H GLY A 21 -0.780 -3.853 -28.856 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.766 -3.880 -30.908 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.118 -2.493 -30.055 1.00 0.00 H new ATOM 335 N LYS A 22 0.268 -2.925 -31.694 1.00 0.00 N ATOM 336 CA LYS A 22 1.140 -2.560 -32.804 1.00 0.00 C ATOM 337 C LYS A 22 1.170 -3.663 -33.858 1.00 0.00 C ATOM 338 O LYS A 22 1.040 -3.398 -35.053 1.00 0.00 O ATOM 339 CB LYS A 22 2.557 -2.284 -32.298 1.00 0.00 C ATOM 340 CG LYS A 22 2.799 -0.832 -31.926 1.00 0.00 C ATOM 341 CD LYS A 22 3.121 0.011 -33.148 1.00 0.00 C ATOM 342 CE LYS A 22 4.586 -0.111 -33.539 1.00 0.00 C ATOM 343 NZ LYS A 22 5.476 0.612 -32.588 1.00 0.00 N ATOM 0 H LYS A 22 0.757 -3.110 -30.818 1.00 0.00 H new ATOM 0 HA LYS A 22 0.743 -1.654 -33.262 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.751 -2.910 -31.427 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.272 -2.577 -33.067 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.916 -0.431 -31.429 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.622 -0.770 -31.213 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.493 -0.301 -33.983 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.883 1.055 -32.944 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.867 -1.164 -33.571 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.728 0.287 -34.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.419 0.724 -33.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.075 1.549 -32.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.556 0.068 -31.705 1.00 0.00 H new ATOM 357 N VAL A 23 1.342 -4.901 -33.406 1.00 0.00 N ATOM 358 CA VAL A 23 1.386 -6.045 -34.309 1.00 0.00 C ATOM 359 C VAL A 23 0.024 -6.297 -34.945 1.00 0.00 C ATOM 360 O VAL A 23 -0.071 -6.621 -36.129 1.00 0.00 O ATOM 361 CB VAL A 23 1.843 -7.321 -33.578 1.00 0.00 C ATOM 362 CG1 VAL A 23 3.271 -7.167 -33.077 1.00 0.00 C ATOM 363 CG2 VAL A 23 0.899 -7.643 -32.429 1.00 0.00 C ATOM 0 H VAL A 23 1.453 -5.137 -32.420 1.00 0.00 H new ATOM 0 HA VAL A 23 2.108 -5.804 -35.089 1.00 0.00 H new ATOM 0 HB VAL A 23 1.818 -8.152 -34.283 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.577 -8.078 -32.563 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.936 -6.987 -33.922 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.326 -6.325 -32.386 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.237 -8.548 -31.923 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.890 -6.814 -31.722 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.107 -7.799 -32.818 1.00 0.00 H new ATOM 373 N PHE A 24 -1.031 -6.146 -34.150 1.00 0.00 N ATOM 374 CA PHE A 24 -2.390 -6.358 -34.634 1.00 0.00 C ATOM 375 C PHE A 24 -2.739 -5.356 -35.731 1.00 0.00 C ATOM 376 O PHE A 24 -3.666 -5.570 -36.511 1.00 0.00 O ATOM 377 CB PHE A 24 -3.389 -6.238 -33.482 1.00 0.00 C ATOM 378 CG PHE A 24 -3.838 -7.564 -32.938 1.00 0.00 C ATOM 379 CD1 PHE A 24 -4.385 -8.522 -33.775 1.00 0.00 C ATOM 380 CD2 PHE A 24 -3.712 -7.853 -31.588 1.00 0.00 C ATOM 381 CE1 PHE A 24 -4.800 -9.743 -33.277 1.00 0.00 C ATOM 382 CE2 PHE A 24 -4.124 -9.072 -31.084 1.00 0.00 C ATOM 383 CZ PHE A 24 -4.668 -10.018 -31.930 1.00 0.00 C ATOM 0 H PHE A 24 -0.970 -5.878 -33.168 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.447 -7.363 -35.052 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.936 -5.659 -32.677 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.261 -5.681 -33.824 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.489 -8.313 -34.829 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.287 -7.117 -30.922 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.227 -10.481 -33.940 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.021 -9.284 -30.030 1.00 0.00 H new ATOM 0 HZ PHE A 24 -4.990 -10.972 -31.539 1.00 0.00 H new ATOM 393 N GLY A 25 -1.988 -4.259 -35.784 1.00 0.00 N ATOM 394 CA GLY A 25 -2.233 -3.240 -36.787 1.00 0.00 C ATOM 395 C GLY A 25 -3.289 -2.242 -36.354 1.00 0.00 C ATOM 396 O GLY A 25 -4.106 -1.802 -37.163 1.00 0.00 O ATOM 0 H GLY A 25 -1.215 -4.059 -35.150 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.303 -2.712 -36.998 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.547 -3.717 -37.716 1.00 0.00 H new ATOM 400 N VAL A 26 -3.275 -1.886 -35.074 1.00 0.00 N ATOM 401 CA VAL A 26 -4.239 -0.934 -34.534 1.00 0.00 C ATOM 402 C VAL A 26 -3.575 0.023 -33.550 1.00 0.00 C ATOM 403 O VAL A 26 -2.366 -0.040 -33.326 1.00 0.00 O ATOM 404 CB VAL A 26 -5.403 -1.654 -33.827 1.00 0.00 C ATOM 405 CG1 VAL A 26 -6.275 -2.380 -34.840 1.00 0.00 C ATOM 406 CG2 VAL A 26 -4.873 -2.620 -32.779 1.00 0.00 C ATOM 0 H VAL A 26 -2.607 -2.242 -34.391 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.631 -0.367 -35.379 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.017 -0.908 -33.323 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.092 -2.883 -34.323 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.683 -1.661 -35.550 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.675 -3.117 -35.374 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.709 -3.120 -32.289 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.236 -3.363 -33.258 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.294 -2.070 -32.037 1.00 0.00 H new ATOM 416 N HIS A 27 -4.374 0.908 -32.964 1.00 0.00 N ATOM 417 CA HIS A 27 -3.864 1.879 -32.002 1.00 0.00 C ATOM 418 C HIS A 27 -4.196 1.454 -30.574 1.00 0.00 C ATOM 419 O HIS A 27 -5.193 0.772 -30.335 1.00 0.00 O ATOM 420 CB HIS A 27 -4.448 3.263 -32.283 1.00 0.00 C ATOM 421 CG HIS A 27 -4.185 3.753 -33.674 1.00 0.00 C ATOM 422 ND1 HIS A 27 -5.033 3.505 -34.733 1.00 0.00 N ATOM 423 CD2 HIS A 27 -3.161 4.481 -34.177 1.00 0.00 C ATOM 424 CE1 HIS A 27 -4.541 4.058 -35.827 1.00 0.00 C ATOM 425 NE2 HIS A 27 -3.406 4.657 -35.517 1.00 0.00 N ATOM 0 H HIS A 27 -5.377 0.973 -33.138 1.00 0.00 H new ATOM 0 HA HIS A 27 -2.780 1.923 -32.107 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -5.524 3.235 -32.114 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.032 3.975 -31.571 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.310 4.854 -33.627 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.991 4.026 -36.808 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -2.808 5.167 -36.167 1.00 0.00 H new ATOM 433 N TYR A 28 -3.355 1.862 -29.630 1.00 0.00 N ATOM 434 CA TYR A 28 -3.558 1.521 -28.227 1.00 0.00 C ATOM 435 C TYR A 28 -4.875 2.093 -27.712 1.00 0.00 C ATOM 436 O TYR A 28 -5.540 1.490 -26.870 1.00 0.00 O ATOM 437 CB TYR A 28 -2.396 2.045 -27.381 1.00 0.00 C ATOM 438 CG TYR A 28 -2.263 3.551 -27.400 1.00 0.00 C ATOM 439 CD1 TYR A 28 -1.530 4.191 -28.391 1.00 0.00 C ATOM 440 CD2 TYR A 28 -2.870 4.334 -26.425 1.00 0.00 C ATOM 441 CE1 TYR A 28 -1.406 5.567 -28.412 1.00 0.00 C ATOM 442 CE2 TYR A 28 -2.753 5.710 -26.439 1.00 0.00 C ATOM 443 CZ TYR A 28 -2.019 6.322 -27.434 1.00 0.00 C ATOM 444 OH TYR A 28 -1.898 7.692 -27.451 1.00 0.00 O ATOM 0 H TYR A 28 -2.527 2.429 -29.811 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.598 0.435 -28.145 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -2.529 1.714 -26.351 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.467 1.602 -27.741 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -1.049 3.603 -29.158 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -3.443 3.858 -25.643 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.832 6.049 -29.190 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -3.233 6.304 -25.675 1.00 0.00 H new ATOM 0 HH TYR A 28 -2.390 8.073 -26.694 1.00 0.00 H new ATOM 454 N PHE A 29 -5.246 3.261 -28.226 1.00 0.00 N ATOM 455 CA PHE A 29 -6.483 3.917 -27.819 1.00 0.00 C ATOM 456 C PHE A 29 -7.699 3.152 -28.335 1.00 0.00 C ATOM 457 O PHE A 29 -8.792 3.257 -27.781 1.00 0.00 O ATOM 458 CB PHE A 29 -6.516 5.357 -28.335 1.00 0.00 C ATOM 459 CG PHE A 29 -7.279 6.296 -27.444 1.00 0.00 C ATOM 460 CD1 PHE A 29 -6.885 6.499 -26.131 1.00 0.00 C ATOM 461 CD2 PHE A 29 -8.389 6.975 -27.919 1.00 0.00 C ATOM 462 CE1 PHE A 29 -7.585 7.362 -25.309 1.00 0.00 C ATOM 463 CE2 PHE A 29 -9.093 7.839 -27.102 1.00 0.00 C ATOM 464 CZ PHE A 29 -8.690 8.033 -25.796 1.00 0.00 C ATOM 0 H PHE A 29 -4.708 3.773 -28.925 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.517 3.928 -26.730 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.494 5.720 -28.441 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.963 5.368 -29.329 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -6.021 5.977 -25.746 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.708 6.827 -28.940 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -7.268 7.512 -24.287 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -9.957 8.362 -27.485 1.00 0.00 H new ATOM 0 HZ PHE A 29 -9.238 8.709 -25.156 1.00 0.00 H new ATOM 474 N ASN A 30 -7.499 2.384 -29.400 1.00 0.00 N ATOM 475 CA ASN A 30 -8.578 1.602 -29.993 1.00 0.00 C ATOM 476 C ASN A 30 -8.812 0.315 -29.208 1.00 0.00 C ATOM 477 O ASN A 30 -9.951 -0.040 -28.903 1.00 0.00 O ATOM 478 CB ASN A 30 -8.255 1.272 -31.451 1.00 0.00 C ATOM 479 CG ASN A 30 -8.443 2.464 -32.369 1.00 0.00 C ATOM 480 OD1 ASN A 30 -7.960 3.561 -32.087 1.00 0.00 O ATOM 481 ND2 ASN A 30 -9.147 2.254 -33.475 1.00 0.00 N ATOM 0 H ASN A 30 -6.599 2.286 -29.871 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.489 2.200 -29.956 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -7.225 0.921 -31.522 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.894 0.455 -31.786 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.306 3.019 -34.131 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -9.529 1.328 -33.668 1.00 0.00 H new ATOM 488 N ILE A 31 -7.726 -0.380 -28.884 1.00 0.00 N ATOM 489 CA ILE A 31 -7.813 -1.626 -28.134 1.00 0.00 C ATOM 490 C ILE A 31 -8.190 -1.367 -26.679 1.00 0.00 C ATOM 491 O ILE A 31 -8.872 -2.176 -26.050 1.00 0.00 O ATOM 492 CB ILE A 31 -6.484 -2.403 -28.177 1.00 0.00 C ATOM 493 CG1 ILE A 31 -5.349 -1.547 -27.611 1.00 0.00 C ATOM 494 CG2 ILE A 31 -6.169 -2.836 -29.601 1.00 0.00 C ATOM 495 CD1 ILE A 31 -4.005 -2.242 -27.621 1.00 0.00 C ATOM 0 H ILE A 31 -6.776 -0.101 -29.129 1.00 0.00 H new ATOM 0 HA ILE A 31 -8.591 -2.225 -28.607 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.582 -3.296 -27.560 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.277 -0.626 -28.189 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.595 -1.263 -26.588 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.227 -3.384 -29.615 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.968 -3.479 -29.971 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.086 -1.956 -30.239 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.248 -1.576 -27.206 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.060 -3.149 -27.019 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.737 -2.502 -28.645 1.00 0.00 H new ATOM 507 N PHE A 32 -7.743 -0.232 -26.151 1.00 0.00 N ATOM 508 CA PHE A 32 -8.034 0.135 -24.770 1.00 0.00 C ATOM 509 C PHE A 32 -8.132 1.650 -24.619 1.00 0.00 C ATOM 510 O PHE A 32 -7.427 2.398 -25.296 1.00 0.00 O ATOM 511 CB PHE A 32 -6.953 -0.413 -23.836 1.00 0.00 C ATOM 512 CG PHE A 32 -7.169 -1.848 -23.447 1.00 0.00 C ATOM 513 CD1 PHE A 32 -8.377 -2.260 -22.907 1.00 0.00 C ATOM 514 CD2 PHE A 32 -6.163 -2.785 -23.621 1.00 0.00 C ATOM 515 CE1 PHE A 32 -8.577 -3.579 -22.548 1.00 0.00 C ATOM 516 CE2 PHE A 32 -6.358 -4.106 -23.264 1.00 0.00 C ATOM 517 CZ PHE A 32 -7.567 -4.504 -22.728 1.00 0.00 C ATOM 0 H PHE A 32 -7.178 0.449 -26.658 1.00 0.00 H new ATOM 0 HA PHE A 32 -8.995 -0.302 -24.499 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -5.982 -0.319 -24.322 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -6.919 0.199 -22.934 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.171 -1.542 -22.765 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.216 -2.480 -24.040 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -9.523 -3.887 -22.127 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -5.566 -4.826 -23.404 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.722 -5.536 -22.450 1.00 0.00 H new ATOM 527 N ASN A 33 -9.011 2.094 -23.727 1.00 0.00 N ATOM 528 CA ASN A 33 -9.202 3.520 -23.487 1.00 0.00 C ATOM 529 C ASN A 33 -8.601 3.932 -22.147 1.00 0.00 C ATOM 530 O ASN A 33 -8.317 3.089 -21.295 1.00 0.00 O ATOM 531 CB ASN A 33 -10.692 3.868 -23.519 1.00 0.00 C ATOM 532 CG ASN A 33 -10.942 5.299 -23.956 1.00 0.00 C ATOM 533 OD1 ASN A 33 -10.907 6.223 -23.144 1.00 0.00 O ATOM 534 ND2 ASN A 33 -11.197 5.487 -25.246 1.00 0.00 N ATOM 0 H ASN A 33 -9.602 1.488 -23.159 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.690 4.068 -24.278 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.207 3.188 -24.198 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -11.120 3.713 -22.528 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -11.374 6.427 -25.599 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -11.216 4.691 -25.883 1.00 0.00 H new ATOM 541 N THR A 34 -8.409 5.235 -21.966 1.00 0.00 N ATOM 542 CA THR A 34 -7.841 5.760 -20.731 1.00 0.00 C ATOM 543 C THR A 34 -8.607 5.252 -19.515 1.00 0.00 C ATOM 544 O THR A 34 -8.015 4.737 -18.567 1.00 0.00 O ATOM 545 CB THR A 34 -7.846 7.300 -20.720 1.00 0.00 C ATOM 546 OG1 THR A 34 -8.998 7.792 -21.415 1.00 0.00 O ATOM 547 CG2 THR A 34 -6.584 7.850 -21.368 1.00 0.00 C ATOM 0 H THR A 34 -8.639 5.946 -22.660 1.00 0.00 H new ATOM 0 HA THR A 34 -6.811 5.407 -20.682 1.00 0.00 H new ATOM 0 HB THR A 34 -7.878 7.633 -19.683 1.00 0.00 H new ATOM 0 HG1 THR A 34 -8.994 8.772 -21.402 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.610 8.940 -21.349 1.00 0.00 H new ATOM 0 HG22 THR A 34 -5.710 7.498 -20.819 1.00 0.00 H new ATOM 0 HG23 THR A 34 -6.526 7.507 -22.401 1.00 0.00 H new ATOM 555 N VAL A 35 -9.927 5.401 -19.548 1.00 0.00 N ATOM 556 CA VAL A 35 -10.775 4.956 -18.448 1.00 0.00 C ATOM 557 C VAL A 35 -10.636 3.455 -18.220 1.00 0.00 C ATOM 558 O VAL A 35 -10.511 2.996 -17.084 1.00 0.00 O ATOM 559 CB VAL A 35 -12.255 5.289 -18.710 1.00 0.00 C ATOM 560 CG1 VAL A 35 -13.125 4.797 -17.563 1.00 0.00 C ATOM 561 CG2 VAL A 35 -12.435 6.785 -18.922 1.00 0.00 C ATOM 0 H VAL A 35 -10.433 5.827 -20.325 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.443 5.489 -17.557 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.569 4.776 -19.619 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.168 5.042 -17.766 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.018 3.717 -17.463 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.813 5.280 -16.637 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.487 7.002 -19.106 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -12.104 7.321 -18.033 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -11.843 7.105 -19.780 1.00 0.00 H new ATOM 571 N THR A 36 -10.657 2.692 -19.309 1.00 0.00 N ATOM 572 CA THR A 36 -10.534 1.242 -19.229 1.00 0.00 C ATOM 573 C THR A 36 -9.251 0.838 -18.512 1.00 0.00 C ATOM 574 O THR A 36 -9.273 0.017 -17.594 1.00 0.00 O ATOM 575 CB THR A 36 -10.552 0.598 -20.628 1.00 0.00 C ATOM 576 OG1 THR A 36 -11.789 0.894 -21.288 1.00 0.00 O ATOM 577 CG2 THR A 36 -10.371 -0.909 -20.533 1.00 0.00 C ATOM 0 H THR A 36 -10.758 3.055 -20.257 1.00 0.00 H new ATOM 0 HA THR A 36 -11.393 0.883 -18.662 1.00 0.00 H new ATOM 0 HB THR A 36 -9.724 1.012 -21.204 1.00 0.00 H new ATOM 0 HG1 THR A 36 -12.134 0.082 -21.715 1.00 0.00 H new ATOM 0 HG21 THR A 36 -10.387 -1.341 -21.534 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.416 -1.131 -20.057 1.00 0.00 H new ATOM 0 HG23 THR A 36 -11.180 -1.336 -19.940 1.00 0.00 H new ATOM 585 N LEU A 37 -8.134 1.418 -18.937 1.00 0.00 N ATOM 586 CA LEU A 37 -6.840 1.119 -18.334 1.00 0.00 C ATOM 587 C LEU A 37 -6.829 1.488 -16.854 1.00 0.00 C ATOM 588 O LEU A 37 -6.383 0.709 -16.012 1.00 0.00 O ATOM 589 CB LEU A 37 -5.728 1.872 -19.067 1.00 0.00 C ATOM 590 CG LEU A 37 -5.588 1.575 -20.561 1.00 0.00 C ATOM 591 CD1 LEU A 37 -4.883 2.722 -21.269 1.00 0.00 C ATOM 592 CD2 LEU A 37 -4.836 0.270 -20.777 1.00 0.00 C ATOM 0 H LEU A 37 -8.098 2.098 -19.697 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.665 0.047 -18.423 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.899 2.942 -18.944 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.780 1.643 -18.581 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.586 1.471 -20.987 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.792 2.493 -22.331 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.461 3.638 -21.143 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.890 2.858 -20.841 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.746 0.075 -21.846 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.842 0.346 -20.337 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.381 -0.547 -20.304 1.00 0.00 H new ATOM 604 N LYS A 38 -7.325 2.681 -16.544 1.00 0.00 N ATOM 605 CA LYS A 38 -7.377 3.153 -15.165 1.00 0.00 C ATOM 606 C LYS A 38 -8.090 2.144 -14.271 1.00 0.00 C ATOM 607 O LYS A 38 -7.602 1.800 -13.194 1.00 0.00 O ATOM 608 CB LYS A 38 -8.089 4.506 -15.095 1.00 0.00 C ATOM 609 CG LYS A 38 -7.164 5.692 -15.306 1.00 0.00 C ATOM 610 CD LYS A 38 -6.251 5.907 -14.111 1.00 0.00 C ATOM 611 CE LYS A 38 -4.980 6.644 -14.506 1.00 0.00 C ATOM 612 NZ LYS A 38 -4.124 6.946 -13.325 1.00 0.00 N ATOM 0 H LYS A 38 -7.697 3.339 -17.229 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.354 3.268 -14.807 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.877 4.532 -15.848 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.574 4.602 -14.123 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.562 5.530 -16.200 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.757 6.590 -15.479 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.779 6.475 -13.346 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.993 4.944 -13.671 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.417 6.041 -15.218 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.241 7.573 -15.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.268 7.448 -13.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.652 7.543 -12.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.853 6.058 -12.856 1.00 0.00 H new ATOM 626 N LYS A 39 -9.247 1.673 -14.724 1.00 0.00 N ATOM 627 CA LYS A 39 -10.026 0.701 -13.966 1.00 0.00 C ATOM 628 C LYS A 39 -9.303 -0.640 -13.895 1.00 0.00 C ATOM 629 O LYS A 39 -9.373 -1.342 -12.885 1.00 0.00 O ATOM 630 CB LYS A 39 -11.406 0.515 -14.603 1.00 0.00 C ATOM 631 CG LYS A 39 -12.401 1.599 -14.225 1.00 0.00 C ATOM 632 CD LYS A 39 -12.802 1.502 -12.763 1.00 0.00 C ATOM 633 CE LYS A 39 -13.744 2.629 -12.368 1.00 0.00 C ATOM 634 NZ LYS A 39 -13.512 3.081 -10.968 1.00 0.00 N ATOM 0 H LYS A 39 -9.666 1.949 -15.612 1.00 0.00 H new ATOM 0 HA LYS A 39 -10.148 1.082 -12.952 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -11.297 0.496 -15.687 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -11.807 -0.454 -14.306 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -11.964 2.579 -14.419 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -13.288 1.515 -14.853 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -13.284 0.542 -12.580 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -11.910 1.535 -12.137 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -13.609 3.470 -13.048 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -14.776 2.294 -12.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -14.173 3.850 -10.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -13.665 2.285 -10.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -12.535 3.424 -10.871 1.00 0.00 H new ATOM 648 N LEU A 40 -8.608 -0.990 -14.972 1.00 0.00 N ATOM 649 CA LEU A 40 -7.870 -2.247 -15.031 1.00 0.00 C ATOM 650 C LEU A 40 -6.831 -2.321 -13.917 1.00 0.00 C ATOM 651 O LEU A 40 -6.856 -3.232 -13.090 1.00 0.00 O ATOM 652 CB LEU A 40 -7.188 -2.397 -16.392 1.00 0.00 C ATOM 653 CG LEU A 40 -7.855 -3.359 -17.376 1.00 0.00 C ATOM 654 CD1 LEU A 40 -9.344 -3.066 -17.481 1.00 0.00 C ATOM 655 CD2 LEU A 40 -7.194 -3.267 -18.743 1.00 0.00 C ATOM 0 H LEU A 40 -8.540 -0.421 -15.816 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.579 -3.063 -14.895 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.132 -1.413 -16.858 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.163 -2.730 -16.227 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.730 -4.375 -17.002 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.803 -3.760 -18.185 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.808 -3.184 -16.502 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.490 -2.044 -17.831 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.682 -3.958 -19.430 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.287 -2.250 -19.124 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.139 -3.526 -18.655 1.00 0.00 H new ATOM 667 N ALA A 41 -5.918 -1.355 -13.901 1.00 0.00 N ATOM 668 CA ALA A 41 -4.873 -1.308 -12.886 1.00 0.00 C ATOM 669 C ALA A 41 -5.461 -1.046 -11.504 1.00 0.00 C ATOM 670 O ALA A 41 -4.977 -1.573 -10.504 1.00 0.00 O ATOM 671 CB ALA A 41 -3.845 -0.242 -13.236 1.00 0.00 C ATOM 0 H ALA A 41 -5.881 -0.594 -14.580 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.379 -2.279 -12.863 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.070 -0.218 -12.469 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.394 -0.474 -14.201 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.333 0.731 -13.289 1.00 0.00 H new ATOM 677 N GLU A 42 -6.507 -0.227 -11.457 1.00 0.00 N ATOM 678 CA GLU A 42 -7.159 0.106 -10.196 1.00 0.00 C ATOM 679 C GLU A 42 -7.720 -1.145 -9.526 1.00 0.00 C ATOM 680 O GLU A 42 -7.573 -1.335 -8.319 1.00 0.00 O ATOM 681 CB GLU A 42 -8.282 1.120 -10.428 1.00 0.00 C ATOM 682 CG GLU A 42 -7.812 2.565 -10.401 1.00 0.00 C ATOM 683 CD GLU A 42 -8.008 3.216 -9.045 1.00 0.00 C ATOM 684 OE1 GLU A 42 -9.092 3.793 -8.816 1.00 0.00 O ATOM 685 OE2 GLU A 42 -7.079 3.149 -8.214 1.00 0.00 O ATOM 0 H GLU A 42 -6.921 0.218 -12.277 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.412 0.547 -9.536 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.750 0.917 -11.391 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.048 0.982 -9.665 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.757 2.605 -10.670 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.355 3.134 -11.155 1.00 0.00 H new ATOM 692 N SER A 43 -8.364 -1.995 -10.319 1.00 0.00 N ATOM 693 CA SER A 43 -8.951 -3.227 -9.804 1.00 0.00 C ATOM 694 C SER A 43 -7.866 -4.232 -9.433 1.00 0.00 C ATOM 695 O SER A 43 -7.862 -4.780 -8.330 1.00 0.00 O ATOM 696 CB SER A 43 -9.896 -3.838 -10.840 1.00 0.00 C ATOM 697 OG SER A 43 -10.373 -5.102 -10.411 1.00 0.00 O ATOM 0 H SER A 43 -8.493 -1.853 -11.321 1.00 0.00 H new ATOM 0 HA SER A 43 -9.518 -2.983 -8.905 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.738 -3.167 -11.010 1.00 0.00 H new ATOM 0 HB3 SER A 43 -9.377 -3.946 -11.792 1.00 0.00 H new ATOM 0 HG SER A 43 -9.978 -5.806 -10.966 1.00 0.00 H new ATOM 703 N LEU A 44 -6.946 -4.470 -10.361 1.00 0.00 N ATOM 704 CA LEU A 44 -5.853 -5.409 -10.133 1.00 0.00 C ATOM 705 C LEU A 44 -6.381 -6.740 -9.605 1.00 0.00 C ATOM 706 O LEU A 44 -6.447 -6.956 -8.395 1.00 0.00 O ATOM 707 CB LEU A 44 -4.845 -4.819 -9.146 1.00 0.00 C ATOM 708 CG LEU A 44 -3.636 -4.114 -9.762 1.00 0.00 C ATOM 709 CD1 LEU A 44 -3.097 -3.054 -8.815 1.00 0.00 C ATOM 710 CD2 LEU A 44 -2.551 -5.122 -10.111 1.00 0.00 C ATOM 0 H LEU A 44 -6.935 -4.026 -11.279 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.355 -5.589 -11.086 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.367 -4.108 -8.505 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.484 -5.622 -8.503 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.956 -3.622 -10.681 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.237 -2.563 -9.270 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.873 -2.315 -8.616 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.794 -3.523 -7.879 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.698 -4.602 -10.548 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.234 -5.643 -9.207 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.942 -5.844 -10.828 1.00 0.00 H new ATOM 722 N SER A 45 -6.752 -7.628 -10.521 1.00 0.00 N ATOM 723 CA SER A 45 -7.275 -8.937 -10.148 1.00 0.00 C ATOM 724 C SER A 45 -7.584 -9.773 -11.387 1.00 0.00 C ATOM 725 O SER A 45 -8.053 -9.252 -12.399 1.00 0.00 O ATOM 726 CB SER A 45 -8.537 -8.782 -9.296 1.00 0.00 C ATOM 727 OG SER A 45 -8.511 -9.658 -8.182 1.00 0.00 O ATOM 0 H SER A 45 -6.700 -7.465 -11.527 1.00 0.00 H new ATOM 0 HA SER A 45 -6.512 -9.452 -9.565 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.622 -7.752 -8.951 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.418 -8.988 -9.904 1.00 0.00 H new ATOM 0 HG SER A 45 -9.327 -9.539 -7.653 1.00 0.00 H new ATOM 733 N SER A 46 -7.316 -11.072 -11.299 1.00 0.00 N ATOM 734 CA SER A 46 -7.560 -11.980 -12.413 1.00 0.00 C ATOM 735 C SER A 46 -9.057 -12.136 -12.668 1.00 0.00 C ATOM 736 O SER A 46 -9.485 -12.346 -13.803 1.00 0.00 O ATOM 737 CB SER A 46 -6.935 -13.347 -12.131 1.00 0.00 C ATOM 738 OG SER A 46 -6.250 -13.348 -10.891 1.00 0.00 O ATOM 0 H SER A 46 -6.930 -11.519 -10.467 1.00 0.00 H new ATOM 0 HA SER A 46 -7.099 -11.554 -13.304 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.713 -14.111 -12.121 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.243 -13.607 -12.932 1.00 0.00 H new ATOM 0 HG SER A 46 -6.140 -14.270 -10.579 1.00 0.00 H new ATOM 744 N ASP A 47 -9.846 -12.031 -11.605 1.00 0.00 N ATOM 745 CA ASP A 47 -11.294 -12.160 -11.712 1.00 0.00 C ATOM 746 C ASP A 47 -11.827 -11.343 -12.886 1.00 0.00 C ATOM 747 O ASP A 47 -11.903 -10.115 -12.836 1.00 0.00 O ATOM 748 CB ASP A 47 -11.965 -11.708 -10.414 1.00 0.00 C ATOM 749 CG ASP A 47 -12.105 -12.836 -9.411 1.00 0.00 C ATOM 750 OD1 ASP A 47 -13.133 -13.543 -9.453 1.00 0.00 O ATOM 751 OD2 ASP A 47 -11.186 -13.011 -8.583 1.00 0.00 O ATOM 0 H ASP A 47 -9.507 -11.857 -10.659 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.529 -13.210 -11.887 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.383 -10.901 -9.970 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -12.951 -11.303 -10.640 1.00 0.00 H new ATOM 756 N PRO A 48 -12.203 -12.039 -13.969 1.00 0.00 N ATOM 757 CA PRO A 48 -12.735 -11.399 -15.176 1.00 0.00 C ATOM 758 C PRO A 48 -14.121 -10.805 -14.954 1.00 0.00 C ATOM 759 O PRO A 48 -14.651 -10.105 -15.817 1.00 0.00 O ATOM 760 CB PRO A 48 -12.799 -12.546 -16.187 1.00 0.00 C ATOM 761 CG PRO A 48 -12.918 -13.777 -15.356 1.00 0.00 C ATOM 762 CD PRO A 48 -12.140 -13.504 -14.098 1.00 0.00 C ATOM 0 HA PRO A 48 -12.117 -10.562 -15.500 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.652 -12.436 -16.857 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -11.906 -12.574 -16.811 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -13.962 -13.996 -15.130 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.518 -14.643 -15.882 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.583 -14.003 -13.236 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.112 -13.857 -14.177 1.00 0.00 H new ATOM 770 N GLU A 49 -14.703 -11.089 -13.793 1.00 0.00 N ATOM 771 CA GLU A 49 -16.030 -10.582 -13.460 1.00 0.00 C ATOM 772 C GLU A 49 -16.006 -9.066 -13.292 1.00 0.00 C ATOM 773 O GLU A 49 -16.840 -8.355 -13.854 1.00 0.00 O ATOM 774 CB GLU A 49 -16.544 -11.240 -12.179 1.00 0.00 C ATOM 775 CG GLU A 49 -16.777 -12.736 -12.313 1.00 0.00 C ATOM 776 CD GLU A 49 -17.894 -13.067 -13.284 1.00 0.00 C ATOM 777 OE1 GLU A 49 -19.070 -13.056 -12.863 1.00 0.00 O ATOM 778 OE2 GLU A 49 -17.592 -13.337 -14.465 1.00 0.00 O ATOM 0 H GLU A 49 -14.277 -11.667 -13.068 1.00 0.00 H new ATOM 0 HA GLU A 49 -16.703 -10.829 -14.282 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -15.827 -11.063 -11.377 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -17.477 -10.761 -11.884 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -15.857 -13.215 -12.647 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -17.016 -13.152 -11.334 1.00 0.00 H new ATOM 785 N VAL A 50 -15.045 -8.577 -12.515 1.00 0.00 N ATOM 786 CA VAL A 50 -14.912 -7.145 -12.272 1.00 0.00 C ATOM 787 C VAL A 50 -14.504 -6.408 -13.543 1.00 0.00 C ATOM 788 O VAL A 50 -14.895 -5.261 -13.761 1.00 0.00 O ATOM 789 CB VAL A 50 -13.875 -6.857 -11.170 1.00 0.00 C ATOM 790 CG1 VAL A 50 -14.239 -7.594 -9.890 1.00 0.00 C ATOM 791 CG2 VAL A 50 -12.480 -7.241 -11.638 1.00 0.00 C ATOM 0 H VAL A 50 -14.347 -9.151 -12.043 1.00 0.00 H new ATOM 0 HA VAL A 50 -15.888 -6.787 -11.945 1.00 0.00 H new ATOM 0 HB VAL A 50 -13.881 -5.788 -10.960 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.496 -7.379 -9.122 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -15.220 -7.265 -9.547 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -14.263 -8.667 -10.082 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.760 -7.031 -10.847 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.456 -8.304 -11.877 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -12.222 -6.664 -12.526 1.00 0.00 H new ATOM 801 N LEU A 51 -13.716 -7.075 -14.380 1.00 0.00 N ATOM 802 CA LEU A 51 -13.255 -6.483 -15.631 1.00 0.00 C ATOM 803 C LEU A 51 -14.416 -6.282 -16.599 1.00 0.00 C ATOM 804 O LEU A 51 -14.539 -5.230 -17.229 1.00 0.00 O ATOM 805 CB LEU A 51 -12.187 -7.371 -16.274 1.00 0.00 C ATOM 806 CG LEU A 51 -11.116 -7.922 -15.333 1.00 0.00 C ATOM 807 CD1 LEU A 51 -10.206 -8.892 -16.070 1.00 0.00 C ATOM 808 CD2 LEU A 51 -10.307 -6.787 -14.722 1.00 0.00 C ATOM 0 H LEU A 51 -13.383 -8.025 -14.215 1.00 0.00 H new ATOM 0 HA LEU A 51 -12.822 -5.508 -15.406 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.685 -8.212 -16.757 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.693 -6.799 -17.059 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.611 -8.463 -14.526 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.450 -9.274 -15.384 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.797 -9.722 -16.458 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.718 -8.376 -16.897 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.549 -7.198 -14.055 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.822 -6.218 -15.515 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.970 -6.131 -14.158 1.00 0.00 H new ATOM 820 N LEU A 52 -15.268 -7.295 -16.712 1.00 0.00 N ATOM 821 CA LEU A 52 -16.422 -7.229 -17.601 1.00 0.00 C ATOM 822 C LEU A 52 -17.330 -6.062 -17.229 1.00 0.00 C ATOM 823 O LEU A 52 -18.086 -5.562 -18.062 1.00 0.00 O ATOM 824 CB LEU A 52 -17.209 -8.540 -17.547 1.00 0.00 C ATOM 825 CG LEU A 52 -17.676 -9.099 -18.891 1.00 0.00 C ATOM 826 CD1 LEU A 52 -18.430 -8.037 -19.677 1.00 0.00 C ATOM 827 CD2 LEU A 52 -16.493 -9.620 -19.693 1.00 0.00 C ATOM 0 H LEU A 52 -15.181 -8.172 -16.199 1.00 0.00 H new ATOM 0 HA LEU A 52 -16.058 -7.073 -18.617 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -16.589 -9.292 -17.059 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -18.084 -8.389 -16.915 1.00 0.00 H new ATOM 0 HG LEU A 52 -18.354 -9.931 -18.701 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -18.755 -8.452 -20.631 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -19.301 -7.712 -19.107 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -17.775 -7.184 -19.857 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -16.845 -10.014 -20.646 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -15.790 -8.807 -19.874 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -15.996 -10.413 -19.134 1.00 0.00 H new ATOM 839 N GLN A 53 -17.249 -5.633 -15.974 1.00 0.00 N ATOM 840 CA GLN A 53 -18.063 -4.523 -15.493 1.00 0.00 C ATOM 841 C GLN A 53 -17.440 -3.184 -15.875 1.00 0.00 C ATOM 842 O GLN A 53 -18.086 -2.140 -15.785 1.00 0.00 O ATOM 843 CB GLN A 53 -18.230 -4.606 -13.974 1.00 0.00 C ATOM 844 CG GLN A 53 -19.092 -5.772 -13.520 1.00 0.00 C ATOM 845 CD GLN A 53 -19.527 -5.647 -12.073 1.00 0.00 C ATOM 846 OE1 GLN A 53 -20.477 -4.930 -11.757 1.00 0.00 O ATOM 847 NE2 GLN A 53 -18.832 -6.346 -11.183 1.00 0.00 N ATOM 0 H GLN A 53 -16.629 -6.037 -15.272 1.00 0.00 H new ATOM 0 HA GLN A 53 -19.043 -4.594 -15.964 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -17.246 -4.691 -13.513 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -18.672 -3.677 -13.614 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -19.975 -5.836 -14.157 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -18.537 -6.701 -13.650 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -18.052 -6.928 -11.488 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -19.078 -6.301 -10.194 1.00 0.00 H new ATOM 856 N ILE A 54 -16.182 -3.224 -16.302 1.00 0.00 N ATOM 857 CA ILE A 54 -15.473 -2.014 -16.700 1.00 0.00 C ATOM 858 C ILE A 54 -15.973 -1.500 -18.045 1.00 0.00 C ATOM 859 O ILE A 54 -15.908 -2.203 -19.053 1.00 0.00 O ATOM 860 CB ILE A 54 -13.954 -2.255 -16.788 1.00 0.00 C ATOM 861 CG1 ILE A 54 -13.413 -2.733 -15.439 1.00 0.00 C ATOM 862 CG2 ILE A 54 -13.241 -0.986 -17.231 1.00 0.00 C ATOM 863 CD1 ILE A 54 -11.924 -2.999 -15.446 1.00 0.00 C ATOM 0 H ILE A 54 -15.633 -4.080 -16.381 1.00 0.00 H new ATOM 0 HA ILE A 54 -15.671 -1.266 -15.932 1.00 0.00 H new ATOM 0 HB ILE A 54 -13.766 -3.031 -17.530 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -13.636 -1.983 -14.680 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -13.936 -3.645 -15.149 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -12.169 -1.172 -17.288 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.610 -0.685 -18.211 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -13.433 -0.191 -16.511 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.610 -3.334 -14.458 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.696 -3.771 -16.181 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.392 -2.083 -15.705 1.00 0.00 H new ATOM 875 N ASP A 55 -16.472 -0.268 -18.053 1.00 0.00 N ATOM 876 CA ASP A 55 -16.981 0.343 -19.276 1.00 0.00 C ATOM 877 C ASP A 55 -15.885 0.440 -20.332 1.00 0.00 C ATOM 878 O ASP A 55 -14.873 1.111 -20.132 1.00 0.00 O ATOM 879 CB ASP A 55 -17.546 1.733 -18.979 1.00 0.00 C ATOM 880 CG ASP A 55 -18.580 1.713 -17.872 1.00 0.00 C ATOM 881 OD1 ASP A 55 -18.184 1.777 -16.689 1.00 0.00 O ATOM 882 OD2 ASP A 55 -19.786 1.633 -18.187 1.00 0.00 O ATOM 0 H ASP A 55 -16.535 0.327 -17.227 1.00 0.00 H new ATOM 0 HA ASP A 55 -17.779 -0.290 -19.665 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -16.731 2.401 -18.699 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -17.995 2.140 -19.885 1.00 0.00 H new ATOM 887 N GLY A 56 -16.093 -0.236 -21.458 1.00 0.00 N ATOM 888 CA GLY A 56 -15.113 -0.214 -22.528 1.00 0.00 C ATOM 889 C GLY A 56 -14.320 -1.502 -22.615 1.00 0.00 C ATOM 890 O GLY A 56 -13.099 -1.479 -22.770 1.00 0.00 O ATOM 0 H GLY A 56 -16.923 -0.798 -21.648 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -15.620 -0.038 -23.477 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -14.429 0.620 -22.373 1.00 0.00 H new ATOM 894 N VAL A 57 -15.014 -2.631 -22.514 1.00 0.00 N ATOM 895 CA VAL A 57 -14.367 -3.936 -22.582 1.00 0.00 C ATOM 896 C VAL A 57 -15.323 -4.997 -23.116 1.00 0.00 C ATOM 897 O VAL A 57 -16.489 -5.051 -22.726 1.00 0.00 O ATOM 898 CB VAL A 57 -13.848 -4.377 -21.201 1.00 0.00 C ATOM 899 CG1 VAL A 57 -15.009 -4.669 -20.262 1.00 0.00 C ATOM 900 CG2 VAL A 57 -12.942 -5.592 -21.335 1.00 0.00 C ATOM 0 H VAL A 57 -16.025 -2.668 -22.385 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.523 -3.836 -23.264 1.00 0.00 H new ATOM 0 HB VAL A 57 -13.263 -3.562 -20.775 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -14.623 -4.979 -19.291 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -15.614 -3.771 -20.141 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -15.623 -5.467 -20.680 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -12.584 -5.890 -20.349 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -13.500 -6.415 -21.782 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -12.091 -5.343 -21.970 1.00 0.00 H new ATOM 910 N THR A 58 -14.820 -5.840 -24.013 1.00 0.00 N ATOM 911 CA THR A 58 -15.629 -6.900 -24.602 1.00 0.00 C ATOM 912 C THR A 58 -14.958 -8.259 -24.438 1.00 0.00 C ATOM 913 O THR A 58 -13.760 -8.341 -24.171 1.00 0.00 O ATOM 914 CB THR A 58 -15.886 -6.644 -26.099 1.00 0.00 C ATOM 915 OG1 THR A 58 -16.561 -7.766 -26.679 1.00 0.00 O ATOM 916 CG2 THR A 58 -14.580 -6.394 -26.837 1.00 0.00 C ATOM 0 H THR A 58 -13.857 -5.809 -24.347 1.00 0.00 H new ATOM 0 HA THR A 58 -16.582 -6.902 -24.073 1.00 0.00 H new ATOM 0 HB THR A 58 -16.512 -5.757 -26.191 1.00 0.00 H new ATOM 0 HG1 THR A 58 -16.722 -7.595 -27.630 1.00 0.00 H new ATOM 0 HG21 THR A 58 -14.787 -6.216 -27.892 1.00 0.00 H new ATOM 0 HG22 THR A 58 -14.083 -5.522 -26.412 1.00 0.00 H new ATOM 0 HG23 THR A 58 -13.933 -7.265 -26.736 1.00 0.00 H new ATOM 924 N GLU A 59 -15.739 -9.323 -24.602 1.00 0.00 N ATOM 925 CA GLU A 59 -15.219 -10.678 -24.472 1.00 0.00 C ATOM 926 C GLU A 59 -14.020 -10.892 -25.392 1.00 0.00 C ATOM 927 O GLU A 59 -13.062 -11.575 -25.032 1.00 0.00 O ATOM 928 CB GLU A 59 -16.311 -11.701 -24.793 1.00 0.00 C ATOM 929 CG GLU A 59 -16.058 -13.072 -24.188 1.00 0.00 C ATOM 930 CD GLU A 59 -17.291 -13.955 -24.209 1.00 0.00 C ATOM 931 OE1 GLU A 59 -18.187 -13.703 -25.041 1.00 0.00 O ATOM 932 OE2 GLU A 59 -17.359 -14.897 -23.392 1.00 0.00 O ATOM 0 H GLU A 59 -16.733 -9.272 -24.825 1.00 0.00 H new ATOM 0 HA GLU A 59 -14.893 -10.817 -23.441 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -17.268 -11.324 -24.431 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -16.397 -11.801 -25.875 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.254 -13.564 -24.735 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -15.718 -12.954 -23.159 1.00 0.00 H new ATOM 939 N ASP A 60 -14.083 -10.304 -26.581 1.00 0.00 N ATOM 940 CA ASP A 60 -13.004 -10.428 -27.554 1.00 0.00 C ATOM 941 C ASP A 60 -11.737 -9.744 -27.051 1.00 0.00 C ATOM 942 O ASP A 60 -10.640 -10.293 -27.151 1.00 0.00 O ATOM 943 CB ASP A 60 -13.426 -9.826 -28.895 1.00 0.00 C ATOM 944 CG ASP A 60 -14.100 -10.839 -29.799 1.00 0.00 C ATOM 945 OD1 ASP A 60 -15.309 -11.090 -29.610 1.00 0.00 O ATOM 946 OD2 ASP A 60 -13.420 -11.380 -30.695 1.00 0.00 O ATOM 0 H ASP A 60 -14.870 -9.736 -26.895 1.00 0.00 H new ATOM 0 HA ASP A 60 -12.792 -11.488 -27.691 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.106 -8.993 -28.718 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.549 -9.420 -29.400 1.00 0.00 H new ATOM 951 N LYS A 61 -11.896 -8.540 -26.510 1.00 0.00 N ATOM 952 CA LYS A 61 -10.766 -7.779 -25.990 1.00 0.00 C ATOM 953 C LYS A 61 -10.055 -8.550 -24.883 1.00 0.00 C ATOM 954 O LYS A 61 -8.834 -8.713 -24.910 1.00 0.00 O ATOM 955 CB LYS A 61 -11.238 -6.423 -25.461 1.00 0.00 C ATOM 956 CG LYS A 61 -11.450 -5.386 -26.550 1.00 0.00 C ATOM 957 CD LYS A 61 -12.191 -4.168 -26.023 1.00 0.00 C ATOM 958 CE LYS A 61 -12.284 -3.074 -27.076 1.00 0.00 C ATOM 959 NZ LYS A 61 -13.579 -3.121 -27.811 1.00 0.00 N ATOM 0 H LYS A 61 -12.797 -8.070 -26.420 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.062 -7.618 -26.806 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.171 -6.560 -24.915 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.505 -6.045 -24.749 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.485 -5.079 -26.955 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -12.014 -5.829 -27.371 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.194 -4.458 -25.709 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.679 -3.783 -25.141 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.172 -2.100 -26.599 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.461 -3.179 -27.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -13.604 -2.360 -28.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -13.675 -4.041 -28.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -14.364 -2.995 -27.140 1.00 0.00 H new ATOM 973 N LEU A 62 -10.825 -9.023 -23.909 1.00 0.00 N ATOM 974 CA LEU A 62 -10.268 -9.779 -22.792 1.00 0.00 C ATOM 975 C LEU A 62 -9.769 -11.144 -23.253 1.00 0.00 C ATOM 976 O LEU A 62 -8.883 -11.733 -22.634 1.00 0.00 O ATOM 977 CB LEU A 62 -11.319 -9.951 -21.694 1.00 0.00 C ATOM 978 CG LEU A 62 -12.590 -10.702 -22.092 1.00 0.00 C ATOM 979 CD1 LEU A 62 -12.363 -12.205 -22.031 1.00 0.00 C ATOM 980 CD2 LEU A 62 -13.751 -10.299 -21.195 1.00 0.00 C ATOM 0 H LEU A 62 -11.836 -8.897 -23.870 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.422 -9.220 -22.393 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.858 -10.476 -20.857 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.603 -8.963 -21.333 1.00 0.00 H new ATOM 0 HG LEU A 62 -12.841 -10.434 -23.118 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -13.278 -12.723 -22.317 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -11.561 -12.480 -22.716 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -12.087 -12.490 -21.016 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -14.647 -10.843 -21.493 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -13.510 -10.537 -20.159 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -13.929 -9.228 -21.290 1.00 0.00 H new ATOM 992 N GLU A 63 -10.343 -11.641 -24.345 1.00 0.00 N ATOM 993 CA GLU A 63 -9.955 -12.937 -24.889 1.00 0.00 C ATOM 994 C GLU A 63 -8.589 -12.856 -25.564 1.00 0.00 C ATOM 995 O GLU A 63 -7.824 -13.821 -25.562 1.00 0.00 O ATOM 996 CB GLU A 63 -11.002 -13.429 -25.890 1.00 0.00 C ATOM 997 CG GLU A 63 -12.045 -14.349 -25.276 1.00 0.00 C ATOM 998 CD GLU A 63 -12.951 -14.978 -26.316 1.00 0.00 C ATOM 999 OE1 GLU A 63 -13.040 -14.430 -27.435 1.00 0.00 O ATOM 1000 OE2 GLU A 63 -13.572 -16.018 -26.012 1.00 0.00 O ATOM 0 H GLU A 63 -11.078 -11.166 -24.870 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.892 -13.645 -24.063 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.504 -12.568 -26.331 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.498 -13.955 -26.701 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -11.544 -15.136 -24.712 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.650 -13.784 -24.566 1.00 0.00 H new ATOM 1007 N LYS A 64 -8.288 -11.698 -26.142 1.00 0.00 N ATOM 1008 CA LYS A 64 -7.015 -11.489 -26.821 1.00 0.00 C ATOM 1009 C LYS A 64 -5.953 -10.992 -25.845 1.00 0.00 C ATOM 1010 O LYS A 64 -4.862 -11.557 -25.759 1.00 0.00 O ATOM 1011 CB LYS A 64 -7.182 -10.485 -27.963 1.00 0.00 C ATOM 1012 CG LYS A 64 -7.861 -11.068 -29.191 1.00 0.00 C ATOM 1013 CD LYS A 64 -8.326 -9.977 -30.141 1.00 0.00 C ATOM 1014 CE LYS A 64 -8.988 -10.562 -31.380 1.00 0.00 C ATOM 1015 NZ LYS A 64 -9.145 -9.546 -32.457 1.00 0.00 N ATOM 0 H LYS A 64 -8.909 -10.889 -26.154 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.689 -12.445 -27.230 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.763 -9.635 -27.606 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.201 -10.104 -28.247 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.170 -11.733 -29.709 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.714 -11.672 -28.884 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.028 -9.321 -29.627 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.475 -9.364 -30.437 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -8.392 -11.395 -31.751 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -9.966 -10.963 -31.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.600 -9.984 -33.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.735 -8.762 -32.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.210 -9.181 -32.729 1.00 0.00 H new ATOM 1029 N TYR A 65 -6.280 -9.935 -25.110 1.00 0.00 N ATOM 1030 CA TYR A 65 -5.353 -9.362 -24.141 1.00 0.00 C ATOM 1031 C TYR A 65 -5.682 -9.835 -22.728 1.00 0.00 C ATOM 1032 O TYR A 65 -4.811 -10.316 -22.004 1.00 0.00 O ATOM 1033 CB TYR A 65 -5.398 -7.834 -24.202 1.00 0.00 C ATOM 1034 CG TYR A 65 -5.961 -7.297 -25.498 1.00 0.00 C ATOM 1035 CD1 TYR A 65 -5.333 -7.552 -26.711 1.00 0.00 C ATOM 1036 CD2 TYR A 65 -7.123 -6.534 -25.510 1.00 0.00 C ATOM 1037 CE1 TYR A 65 -5.844 -7.062 -27.897 1.00 0.00 C ATOM 1038 CE2 TYR A 65 -7.642 -6.041 -26.692 1.00 0.00 C ATOM 1039 CZ TYR A 65 -6.998 -6.307 -27.882 1.00 0.00 C ATOM 1040 OH TYR A 65 -7.511 -5.819 -29.062 1.00 0.00 O ATOM 0 H TYR A 65 -7.180 -9.458 -25.167 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.348 -9.700 -24.394 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.000 -7.463 -23.373 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.390 -7.443 -24.064 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.430 -8.144 -26.727 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.629 -6.323 -24.579 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.343 -7.269 -28.831 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.547 -5.451 -26.684 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.327 -5.309 -28.878 1.00 0.00 H new ATOM 1050 N GLY A 66 -6.947 -9.696 -22.343 1.00 0.00 N ATOM 1051 CA GLY A 66 -7.370 -10.114 -21.019 1.00 0.00 C ATOM 1052 C GLY A 66 -6.729 -11.418 -20.591 1.00 0.00 C ATOM 1053 O GLY A 66 -6.402 -11.601 -19.418 1.00 0.00 O ATOM 0 H GLY A 66 -7.686 -9.301 -22.924 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.119 -9.336 -20.298 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.454 -10.224 -21.005 1.00 0.00 H new ATOM 1057 N ALA A 67 -6.550 -12.329 -21.542 1.00 0.00 N ATOM 1058 CA ALA A 67 -5.944 -13.623 -21.257 1.00 0.00 C ATOM 1059 C ALA A 67 -4.644 -13.461 -20.477 1.00 0.00 C ATOM 1060 O ALA A 67 -4.500 -13.991 -19.376 1.00 0.00 O ATOM 1061 CB ALA A 67 -5.694 -14.386 -22.550 1.00 0.00 C ATOM 0 H ALA A 67 -6.816 -12.194 -22.517 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.639 -14.193 -20.640 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.241 -15.351 -22.321 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.640 -14.543 -23.069 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.022 -13.811 -23.187 1.00 0.00 H new ATOM 1067 N GLU A 68 -3.700 -12.724 -21.055 1.00 0.00 N ATOM 1068 CA GLU A 68 -2.412 -12.494 -20.413 1.00 0.00 C ATOM 1069 C GLU A 68 -2.587 -11.748 -19.093 1.00 0.00 C ATOM 1070 O GLU A 68 -1.851 -11.980 -18.134 1.00 0.00 O ATOM 1071 CB GLU A 68 -1.489 -11.701 -21.341 1.00 0.00 C ATOM 1072 CG GLU A 68 -1.346 -12.312 -22.725 1.00 0.00 C ATOM 1073 CD GLU A 68 -0.810 -13.730 -22.683 1.00 0.00 C ATOM 1074 OE1 GLU A 68 0.155 -13.977 -21.930 1.00 0.00 O ATOM 1075 OE2 GLU A 68 -1.355 -14.592 -23.404 1.00 0.00 O ATOM 0 H GLU A 68 -3.804 -12.277 -21.966 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.960 -13.464 -20.205 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -1.872 -10.685 -21.439 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.503 -11.627 -20.882 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.316 -12.309 -23.222 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.679 -11.693 -23.325 1.00 0.00 H new ATOM 1082 N VAL A 69 -3.566 -10.851 -19.053 1.00 0.00 N ATOM 1083 CA VAL A 69 -3.839 -10.071 -17.851 1.00 0.00 C ATOM 1084 C VAL A 69 -4.251 -10.972 -16.693 1.00 0.00 C ATOM 1085 O VAL A 69 -3.720 -10.859 -15.587 1.00 0.00 O ATOM 1086 CB VAL A 69 -4.949 -9.031 -18.098 1.00 0.00 C ATOM 1087 CG1 VAL A 69 -5.053 -8.073 -16.921 1.00 0.00 C ATOM 1088 CG2 VAL A 69 -4.690 -8.273 -19.391 1.00 0.00 C ATOM 0 H VAL A 69 -4.184 -10.646 -19.838 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.916 -9.553 -17.593 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.900 -9.555 -18.195 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.842 -7.345 -17.113 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.288 -8.633 -16.016 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.104 -7.553 -16.790 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.483 -7.543 -19.550 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.731 -7.759 -19.325 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.669 -8.974 -20.226 1.00 0.00 H new ATOM 1098 N ILE A 70 -5.199 -11.866 -16.953 1.00 0.00 N ATOM 1099 CA ILE A 70 -5.680 -12.788 -15.932 1.00 0.00 C ATOM 1100 C ILE A 70 -4.581 -13.751 -15.499 1.00 0.00 C ATOM 1101 O ILE A 70 -4.419 -14.031 -14.311 1.00 0.00 O ATOM 1102 CB ILE A 70 -6.891 -13.599 -16.432 1.00 0.00 C ATOM 1103 CG1 ILE A 70 -8.048 -12.663 -16.787 1.00 0.00 C ATOM 1104 CG2 ILE A 70 -7.323 -14.608 -15.379 1.00 0.00 C ATOM 1105 CD1 ILE A 70 -9.314 -13.390 -17.181 1.00 0.00 C ATOM 0 H ILE A 70 -5.649 -11.971 -17.862 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.985 -12.183 -15.079 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.600 -14.143 -17.331 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.259 -12.019 -15.933 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -7.741 -12.014 -17.607 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.179 -15.173 -15.747 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.500 -15.291 -15.170 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.600 -14.084 -14.464 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.091 -12.664 -17.419 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.119 -14.013 -18.054 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.645 -14.018 -16.354 1.00 0.00 H new ATOM 1117 N SER A 71 -3.826 -14.255 -16.471 1.00 0.00 N ATOM 1118 CA SER A 71 -2.742 -15.189 -16.190 1.00 0.00 C ATOM 1119 C SER A 71 -1.718 -14.566 -15.246 1.00 0.00 C ATOM 1120 O SER A 71 -1.283 -15.194 -14.281 1.00 0.00 O ATOM 1121 CB SER A 71 -2.060 -15.617 -17.491 1.00 0.00 C ATOM 1122 OG SER A 71 -1.329 -16.817 -17.313 1.00 0.00 O ATOM 0 H SER A 71 -3.945 -14.032 -17.459 1.00 0.00 H new ATOM 0 HA SER A 71 -3.169 -16.067 -15.705 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.810 -15.757 -18.269 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.391 -14.827 -17.831 1.00 0.00 H new ATOM 0 HG SER A 71 -0.904 -17.070 -18.159 1.00 0.00 H new ATOM 1128 N VAL A 72 -1.337 -13.325 -15.533 1.00 0.00 N ATOM 1129 CA VAL A 72 -0.366 -12.615 -14.710 1.00 0.00 C ATOM 1130 C VAL A 72 -0.911 -12.363 -13.309 1.00 0.00 C ATOM 1131 O VAL A 72 -0.245 -12.645 -12.312 1.00 0.00 O ATOM 1132 CB VAL A 72 0.030 -11.268 -15.345 1.00 0.00 C ATOM 1133 CG1 VAL A 72 0.999 -10.517 -14.445 1.00 0.00 C ATOM 1134 CG2 VAL A 72 0.631 -11.486 -16.725 1.00 0.00 C ATOM 0 H VAL A 72 -1.686 -12.791 -16.329 1.00 0.00 H new ATOM 0 HA VAL A 72 0.517 -13.251 -14.644 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.868 -10.661 -15.457 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.267 -9.568 -14.910 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.528 -10.328 -13.481 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.898 -11.116 -14.298 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.905 -10.524 -17.159 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.519 -12.112 -16.640 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.100 -11.978 -17.367 1.00 0.00 H new ATOM 1144 N LEU A 73 -2.126 -11.831 -13.240 1.00 0.00 N ATOM 1145 CA LEU A 73 -2.763 -11.541 -11.960 1.00 0.00 C ATOM 1146 C LEU A 73 -2.955 -12.817 -11.146 1.00 0.00 C ATOM 1147 O LEU A 73 -2.954 -12.785 -9.916 1.00 0.00 O ATOM 1148 CB LEU A 73 -4.113 -10.857 -12.183 1.00 0.00 C ATOM 1149 CG LEU A 73 -4.059 -9.409 -12.672 1.00 0.00 C ATOM 1150 CD1 LEU A 73 -5.329 -9.054 -13.428 1.00 0.00 C ATOM 1151 CD2 LEU A 73 -3.849 -8.459 -11.502 1.00 0.00 C ATOM 0 H LEU A 73 -2.690 -11.592 -14.055 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.111 -10.870 -11.401 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.679 -11.443 -12.907 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.670 -10.883 -11.246 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.214 -9.306 -13.353 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.273 -8.020 -13.768 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.437 -9.714 -14.289 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.190 -9.173 -12.770 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.813 -7.433 -11.868 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.673 -8.564 -10.796 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.910 -8.699 -11.002 1.00 0.00 H new ATOM 1163 N GLN A 74 -3.117 -13.938 -11.842 1.00 0.00 N ATOM 1164 CA GLN A 74 -3.308 -15.224 -11.183 1.00 0.00 C ATOM 1165 C GLN A 74 -2.008 -15.712 -10.553 1.00 0.00 C ATOM 1166 O GLN A 74 -1.962 -16.030 -9.364 1.00 0.00 O ATOM 1167 CB GLN A 74 -3.825 -16.261 -12.182 1.00 0.00 C ATOM 1168 CG GLN A 74 -5.302 -16.581 -12.017 1.00 0.00 C ATOM 1169 CD GLN A 74 -5.658 -16.981 -10.598 1.00 0.00 C ATOM 1170 OE1 GLN A 74 -4.795 -17.390 -9.821 1.00 0.00 O ATOM 1171 NE2 GLN A 74 -6.935 -16.865 -10.253 1.00 0.00 N ATOM 0 H GLN A 74 -3.120 -13.981 -12.861 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.046 -15.092 -10.392 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.652 -15.896 -13.194 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -3.248 -17.179 -12.071 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -5.893 -15.711 -12.304 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -5.573 -17.389 -12.697 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.617 -16.521 -10.929 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -7.234 -17.119 -9.312 1.00 0.00 H new ATOM 1180 N LYS A 75 -0.952 -15.769 -11.357 1.00 0.00 N ATOM 1181 CA LYS A 75 0.351 -16.217 -10.880 1.00 0.00 C ATOM 1182 C LYS A 75 0.858 -15.317 -9.758 1.00 0.00 C ATOM 1183 O LYS A 75 1.522 -15.780 -8.830 1.00 0.00 O ATOM 1184 CB LYS A 75 1.360 -16.234 -12.030 1.00 0.00 C ATOM 1185 CG LYS A 75 1.555 -14.879 -12.688 1.00 0.00 C ATOM 1186 CD LYS A 75 2.659 -14.920 -13.732 1.00 0.00 C ATOM 1187 CE LYS A 75 2.166 -15.516 -15.042 1.00 0.00 C ATOM 1188 NZ LYS A 75 2.890 -14.953 -16.215 1.00 0.00 N ATOM 0 H LYS A 75 -0.973 -15.510 -12.343 1.00 0.00 H new ATOM 0 HA LYS A 75 0.239 -17.228 -10.489 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.320 -16.588 -11.655 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.029 -16.950 -12.782 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.622 -14.563 -13.155 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.799 -14.136 -11.928 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.032 -13.911 -13.908 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.496 -15.509 -13.355 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.296 -16.598 -15.020 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.098 -15.325 -15.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.525 -15.384 -17.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.745 -13.924 -16.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.906 -15.157 -16.127 1.00 0.00 H new ATOM 1202 N TYR A 76 0.541 -14.031 -9.848 1.00 0.00 N ATOM 1203 CA TYR A 76 0.965 -13.066 -8.841 1.00 0.00 C ATOM 1204 C TYR A 76 0.101 -13.171 -7.588 1.00 0.00 C ATOM 1205 O TYR A 76 0.593 -13.033 -6.468 1.00 0.00 O ATOM 1206 CB TYR A 76 0.897 -11.645 -9.404 1.00 0.00 C ATOM 1207 CG TYR A 76 0.177 -10.670 -8.500 1.00 0.00 C ATOM 1208 CD1 TYR A 76 0.850 -10.012 -7.479 1.00 0.00 C ATOM 1209 CD2 TYR A 76 -1.177 -10.407 -8.668 1.00 0.00 C ATOM 1210 CE1 TYR A 76 0.196 -9.120 -6.651 1.00 0.00 C ATOM 1211 CE2 TYR A 76 -1.839 -9.516 -7.845 1.00 0.00 C ATOM 1212 CZ TYR A 76 -1.148 -8.876 -6.838 1.00 0.00 C ATOM 1213 OH TYR A 76 -1.804 -7.988 -6.016 1.00 0.00 O ATOM 0 H TYR A 76 -0.009 -13.632 -10.609 1.00 0.00 H new ATOM 0 HA TYR A 76 1.996 -13.292 -8.569 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.910 -11.284 -9.580 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.395 -11.670 -10.371 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.903 -10.201 -7.330 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -1.721 -10.907 -9.455 1.00 0.00 H new ATOM 0 HE1 TYR A 76 0.735 -8.617 -5.862 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.892 -9.322 -7.990 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.745 -7.930 -6.282 1.00 0.00 H new ATOM 1223 N SER A 77 -1.190 -13.415 -7.786 1.00 0.00 N ATOM 1224 CA SER A 77 -2.125 -13.535 -6.674 1.00 0.00 C ATOM 1225 C SER A 77 -1.836 -14.789 -5.854 1.00 0.00 C ATOM 1226 O SER A 77 -2.129 -14.844 -4.660 1.00 0.00 O ATOM 1227 CB SER A 77 -3.565 -13.571 -7.192 1.00 0.00 C ATOM 1228 OG SER A 77 -3.774 -14.688 -8.039 1.00 0.00 O ATOM 0 H SER A 77 -1.613 -13.534 -8.707 1.00 0.00 H new ATOM 0 HA SER A 77 -2.000 -12.664 -6.031 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.257 -13.614 -6.351 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.782 -12.652 -7.736 1.00 0.00 H new ATOM 0 HG SER A 77 -2.909 -15.076 -8.289 1.00 0.00 H new ATOM 1234 N GLU A 78 -1.260 -15.795 -6.506 1.00 0.00 N ATOM 1235 CA GLU A 78 -0.932 -17.048 -5.837 1.00 0.00 C ATOM 1236 C GLU A 78 -2.179 -17.684 -5.231 1.00 0.00 C ATOM 1237 O GLU A 78 -2.101 -18.398 -4.231 1.00 0.00 O ATOM 1238 CB GLU A 78 0.116 -16.812 -4.747 1.00 0.00 C ATOM 1239 CG GLU A 78 1.498 -16.490 -5.290 1.00 0.00 C ATOM 1240 CD GLU A 78 2.148 -17.677 -5.973 1.00 0.00 C ATOM 1241 OE1 GLU A 78 1.766 -18.824 -5.659 1.00 0.00 O ATOM 1242 OE2 GLU A 78 3.038 -17.460 -6.821 1.00 0.00 O ATOM 0 H GLU A 78 -1.012 -15.766 -7.495 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.523 -17.731 -6.581 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.214 -15.992 -4.109 1.00 0.00 H new ATOM 0 HB3 GLU A 78 0.180 -17.700 -4.118 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.423 -15.665 -5.998 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.135 -16.152 -4.473 1.00 0.00 H new ATOM 1249 N TRP A 79 -3.328 -17.419 -5.842 1.00 0.00 N ATOM 1250 CA TRP A 79 -4.593 -17.964 -5.362 1.00 0.00 C ATOM 1251 C TRP A 79 -4.691 -19.456 -5.663 1.00 0.00 C ATOM 1252 O TRP A 79 -5.320 -20.209 -4.919 1.00 0.00 O ATOM 1253 CB TRP A 79 -5.767 -17.223 -6.003 1.00 0.00 C ATOM 1254 CG TRP A 79 -7.032 -17.309 -5.203 1.00 0.00 C ATOM 1255 CD1 TRP A 79 -7.318 -16.640 -4.048 1.00 0.00 C ATOM 1256 CD2 TRP A 79 -8.179 -18.113 -5.499 1.00 0.00 C ATOM 1257 NE1 TRP A 79 -8.574 -16.979 -3.607 1.00 0.00 N ATOM 1258 CE2 TRP A 79 -9.124 -17.880 -4.480 1.00 0.00 C ATOM 1259 CE3 TRP A 79 -8.502 -19.004 -6.525 1.00 0.00 C ATOM 1260 CZ2 TRP A 79 -10.367 -18.507 -4.460 1.00 0.00 C ATOM 1261 CZ3 TRP A 79 -9.735 -19.626 -6.504 1.00 0.00 C ATOM 1262 CH2 TRP A 79 -10.656 -19.375 -5.478 1.00 0.00 C ATOM 0 H TRP A 79 -3.410 -16.830 -6.671 1.00 0.00 H new ATOM 0 HA TRP A 79 -4.633 -17.827 -4.281 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -5.498 -16.175 -6.133 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -5.946 -17.632 -6.997 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -6.654 -15.946 -3.554 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -9.024 -16.618 -2.766 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.800 -19.203 -7.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -11.078 -18.315 -3.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -9.994 -20.318 -7.292 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -11.613 -19.876 -5.491 1.00 0.00 H new ATOM 1273 N THR A 80 -4.067 -19.877 -6.758 1.00 0.00 N ATOM 1274 CA THR A 80 -4.086 -21.278 -7.157 1.00 0.00 C ATOM 1275 C THR A 80 -3.335 -22.146 -6.154 1.00 0.00 C ATOM 1276 O THR A 80 -2.129 -22.357 -6.281 1.00 0.00 O ATOM 1277 CB THR A 80 -3.464 -21.473 -8.553 1.00 0.00 C ATOM 1278 OG1 THR A 80 -4.003 -20.512 -9.468 1.00 0.00 O ATOM 1279 CG2 THR A 80 -3.730 -22.878 -9.072 1.00 0.00 C ATOM 0 H THR A 80 -3.542 -19.267 -7.385 1.00 0.00 H new ATOM 0 HA THR A 80 -5.132 -21.584 -7.187 1.00 0.00 H new ATOM 0 HB THR A 80 -2.387 -21.331 -8.470 1.00 0.00 H new ATOM 0 HG1 THR A 80 -3.601 -20.641 -10.353 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.282 -22.992 -10.059 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.294 -23.607 -8.389 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.805 -23.043 -9.141 1.00 0.00 H new ATOM 1287 N SER A 81 -4.056 -22.648 -5.156 1.00 0.00 N ATOM 1288 CA SER A 81 -3.457 -23.491 -4.129 1.00 0.00 C ATOM 1289 C SER A 81 -4.438 -24.563 -3.665 1.00 0.00 C ATOM 1290 O SER A 81 -4.993 -24.501 -2.568 1.00 0.00 O ATOM 1291 CB SER A 81 -3.012 -22.641 -2.937 1.00 0.00 C ATOM 1292 OG SER A 81 -2.327 -23.427 -1.978 1.00 0.00 O ATOM 0 H SER A 81 -5.056 -22.485 -5.037 1.00 0.00 H new ATOM 0 HA SER A 81 -2.586 -23.983 -4.561 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.363 -21.836 -3.282 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.882 -22.174 -2.475 1.00 0.00 H new ATOM 0 HG SER A 81 -2.052 -22.861 -1.227 1.00 0.00 H new ATOM 1298 N PRO A 82 -4.660 -25.572 -4.522 1.00 0.00 N ATOM 1299 CA PRO A 82 -5.574 -26.678 -4.223 1.00 0.00 C ATOM 1300 C PRO A 82 -5.037 -27.595 -3.129 1.00 0.00 C ATOM 1301 O PRO A 82 -3.880 -27.485 -2.727 1.00 0.00 O ATOM 1302 CB PRO A 82 -5.668 -27.430 -5.553 1.00 0.00 C ATOM 1303 CG PRO A 82 -4.395 -27.111 -6.259 1.00 0.00 C ATOM 1304 CD PRO A 82 -4.034 -25.710 -5.847 1.00 0.00 C ATOM 0 HA PRO A 82 -6.535 -26.323 -3.849 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.775 -28.503 -5.394 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -6.533 -27.106 -6.131 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.609 -27.814 -5.983 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -4.520 -27.180 -7.340 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.954 -25.571 -5.798 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.418 -24.972 -6.552 1.00 0.00 H new ATOM 1312 N ALA A 83 -5.886 -28.499 -2.652 1.00 0.00 N ATOM 1313 CA ALA A 83 -5.496 -29.437 -1.606 1.00 0.00 C ATOM 1314 C ALA A 83 -5.160 -28.706 -0.311 1.00 0.00 C ATOM 1315 O ALA A 83 -4.333 -29.166 0.475 1.00 0.00 O ATOM 1316 CB ALA A 83 -4.311 -30.275 -2.064 1.00 0.00 C ATOM 0 H ALA A 83 -6.849 -28.602 -2.973 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.341 -30.098 -1.411 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.030 -30.971 -1.273 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.585 -30.834 -2.959 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -3.468 -29.621 -2.288 1.00 0.00 H new ATOM 1322 N GLU A 84 -5.806 -27.564 -0.097 1.00 0.00 N ATOM 1323 CA GLU A 84 -5.573 -26.769 1.104 1.00 0.00 C ATOM 1324 C GLU A 84 -6.645 -27.043 2.154 1.00 0.00 C ATOM 1325 O GLU A 84 -6.959 -26.182 2.976 1.00 0.00 O ATOM 1326 CB GLU A 84 -5.551 -25.278 0.759 1.00 0.00 C ATOM 1327 CG GLU A 84 -4.214 -24.798 0.219 1.00 0.00 C ATOM 1328 CD GLU A 84 -3.141 -24.738 1.288 1.00 0.00 C ATOM 1329 OE1 GLU A 84 -3.395 -25.221 2.411 1.00 0.00 O ATOM 1330 OE2 GLU A 84 -2.046 -24.209 1.002 1.00 0.00 O ATOM 0 H GLU A 84 -6.494 -27.169 -0.738 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.605 -27.054 1.515 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.326 -25.073 0.021 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.800 -24.703 1.651 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.889 -25.464 -0.580 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.338 -23.809 -0.222 1.00 0.00 H new ATOM 1337 N ASP A 85 -7.204 -28.248 2.120 1.00 0.00 N ATOM 1338 CA ASP A 85 -8.241 -28.637 3.068 1.00 0.00 C ATOM 1339 C ASP A 85 -9.427 -27.679 3.001 1.00 0.00 C ATOM 1340 O ASP A 85 -9.604 -26.833 3.877 1.00 0.00 O ATOM 1341 CB ASP A 85 -7.676 -28.669 4.489 1.00 0.00 C ATOM 1342 CG ASP A 85 -8.460 -29.590 5.403 1.00 0.00 C ATOM 1343 OD1 ASP A 85 -8.835 -30.694 4.954 1.00 0.00 O ATOM 1344 OD2 ASP A 85 -8.699 -29.208 6.568 1.00 0.00 O ATOM 0 H ASP A 85 -6.956 -28.972 1.446 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.588 -29.635 2.800 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.636 -28.994 4.456 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.682 -27.660 4.902 1.00 0.00 H new TER 1349 ASP A 85