USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 638 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 167:sc= -0.0176 (180deg=-0.269) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -111:sc= -2.74 (180deg=-6.49!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0.19) USER MOD Single : A 34 MET CE :methyl -121:sc= -7.03 (180deg=-12.4!) USER MOD Single : A 41 SER OG : rot 180:sc=-0.00548 USER MOD Single : A 42 ASN : amide:sc= -0.215 K(o=-0.21,f=-1.5!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 85:sc= 0.784 USER MOD Single : A 51 GLN : amide:sc= -3.7! C(o=-3.7!,f=-3.4!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HE2:sc= -0.942 K(o=-0.94,f=-3.5) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 60 SER OG : rot -31:sc= 0.208! USER MOD Single : A 64 ASN : amide:sc=-0.00607 X(o=-0.0061,f=-0.1) USER MOD Single : A 65 GLN : amide:sc= 0.0806 K(o=0.081,f=-2.5!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.327 -0.578 -0.853 1.00 30.11 N ATOM 2 CA MET A 1 2.160 0.365 -1.590 1.00 0.35 C ATOM 3 C MET A 1 3.639 0.117 -1.311 1.00 1.43 C ATOM 4 O MET A 1 4.449 1.045 -1.326 1.00 55.02 O ATOM 5 CB MET A 1 1.793 1.803 -1.216 1.00 34.30 C ATOM 6 CG MET A 1 1.777 2.754 -2.402 1.00 22.33 C ATOM 7 SD MET A 1 0.786 4.229 -2.096 1.00 70.43 S ATOM 8 CE MET A 1 2.056 5.397 -1.618 1.00 43.44 C ATOM 0 H1 MET A 1 0.337 -0.260 -0.879 1.00 30.11 H new ATOM 0 H2 MET A 1 1.400 -1.520 -1.288 1.00 30.11 H new ATOM 0 H3 MET A 1 1.649 -0.627 0.135 1.00 30.11 H new ATOM 0 HA MET A 1 1.979 0.216 -2.655 1.00 0.35 H new ATOM 0 HB2 MET A 1 0.811 1.808 -0.744 1.00 34.30 H new ATOM 0 HB3 MET A 1 2.504 2.170 -0.476 1.00 34.30 H new ATOM 0 HG2 MET A 1 2.799 3.050 -2.639 1.00 22.33 H new ATOM 0 HG3 MET A 1 1.385 2.233 -3.276 1.00 22.33 H new ATOM 0 HE1 MET A 1 1.599 6.361 -1.396 1.00 43.44 H new ATOM 0 HE2 MET A 1 2.574 5.029 -0.733 1.00 43.44 H new ATOM 0 HE3 MET A 1 2.769 5.513 -2.434 1.00 43.44 H new ATOM 18 N LYS A 2 3.986 -1.140 -1.055 1.00 52.44 N ATOM 19 CA LYS A 2 5.368 -1.511 -0.774 1.00 15.52 C ATOM 20 C LYS A 2 5.895 -2.482 -1.825 1.00 30.23 C ATOM 21 O LYS A 2 6.729 -3.338 -1.529 1.00 43.12 O ATOM 22 CB LYS A 2 5.475 -2.139 0.617 1.00 20.42 C ATOM 23 CG LYS A 2 4.396 -3.170 0.904 1.00 4.40 C ATOM 24 CD LYS A 2 4.509 -3.716 2.317 1.00 21.33 C ATOM 25 CE LYS A 2 3.709 -4.999 2.484 1.00 21.11 C ATOM 26 NZ LYS A 2 4.592 -6.194 2.586 1.00 31.01 N ATOM 0 H LYS A 2 3.328 -1.920 -1.036 1.00 52.44 H new ATOM 0 HA LYS A 2 5.975 -0.606 -0.805 1.00 15.52 H new ATOM 0 HB2 LYS A 2 6.452 -2.610 0.719 1.00 20.42 H new ATOM 0 HB3 LYS A 2 5.421 -1.350 1.368 1.00 20.42 H new ATOM 0 HG2 LYS A 2 3.414 -2.718 0.765 1.00 4.40 H new ATOM 0 HG3 LYS A 2 4.475 -3.989 0.189 1.00 4.40 H new ATOM 0 HD2 LYS A 2 5.556 -3.906 2.552 1.00 21.33 H new ATOM 0 HD3 LYS A 2 4.153 -2.969 3.027 1.00 21.33 H new ATOM 0 HE2 LYS A 2 3.090 -4.927 3.378 1.00 21.11 H new ATOM 0 HE3 LYS A 2 3.033 -5.118 1.637 1.00 21.11 H new ATOM 0 HZ1 LYS A 2 4.009 -7.048 2.699 1.00 31.01 H new ATOM 0 HZ2 LYS A 2 5.165 -6.277 1.722 1.00 31.01 H new ATOM 0 HZ3 LYS A 2 5.220 -6.092 3.409 1.00 31.01 H new ATOM 40 N ARG A 3 5.404 -2.343 -3.052 1.00 21.21 N ATOM 41 CA ARG A 3 5.827 -3.209 -4.146 1.00 53.23 C ATOM 42 C ARG A 3 5.948 -2.421 -5.447 1.00 41.51 C ATOM 43 O ARG A 3 5.370 -1.342 -5.588 1.00 65.42 O ATOM 44 CB ARG A 3 4.836 -4.360 -4.326 1.00 33.32 C ATOM 45 CG ARG A 3 3.413 -3.902 -4.601 1.00 32.01 C ATOM 46 CD ARG A 3 2.569 -3.914 -3.336 1.00 23.23 C ATOM 47 NE ARG A 3 1.342 -4.688 -3.503 1.00 63.43 N ATOM 48 CZ ARG A 3 0.435 -4.844 -2.546 1.00 13.40 C ATOM 49 NH1 ARG A 3 0.615 -4.280 -1.359 1.00 60.43 N ATOM 50 NH2 ARG A 3 -0.657 -5.563 -2.775 1.00 4.01 N ATOM 0 H ARG A 3 4.713 -1.639 -3.313 1.00 21.21 H new ATOM 0 HA ARG A 3 6.806 -3.617 -3.895 1.00 53.23 H new ATOM 0 HB2 ARG A 3 5.171 -4.991 -5.149 1.00 33.32 H new ATOM 0 HB3 ARG A 3 4.843 -4.978 -3.428 1.00 33.32 H new ATOM 0 HG2 ARG A 3 3.428 -2.896 -5.020 1.00 32.01 H new ATOM 0 HG3 ARG A 3 2.959 -4.552 -5.349 1.00 32.01 H new ATOM 0 HD2 ARG A 3 3.152 -4.332 -2.515 1.00 23.23 H new ATOM 0 HD3 ARG A 3 2.317 -2.890 -3.059 1.00 23.23 H new ATOM 0 HE ARG A 3 1.172 -5.133 -4.405 1.00 63.43 H new ATOM 0 HH11 ARG A 3 1.452 -3.725 -1.180 1.00 60.43 H new ATOM 0 HH12 ARG A 3 -0.083 -4.401 -0.626 1.00 60.43 H new ATOM 0 HH21 ARG A 3 -0.800 -5.997 -3.687 1.00 4.01 H new ATOM 0 HH22 ARG A 3 -1.353 -5.682 -2.039 1.00 4.01 H new ATOM 64 N PHE A 4 6.703 -2.966 -6.395 1.00 4.41 N ATOM 65 CA PHE A 4 6.902 -2.313 -7.684 1.00 1.12 C ATOM 66 C PHE A 4 6.597 -3.271 -8.831 1.00 60.24 C ATOM 67 O PHE A 4 7.251 -4.303 -8.983 1.00 71.21 O ATOM 68 CB PHE A 4 8.338 -1.798 -7.803 1.00 10.25 C ATOM 69 CG PHE A 4 8.426 -0.359 -8.225 1.00 73.21 C ATOM 70 CD1 PHE A 4 7.718 0.620 -7.547 1.00 4.24 C ATOM 71 CD2 PHE A 4 9.216 0.014 -9.300 1.00 71.13 C ATOM 72 CE1 PHE A 4 7.797 1.945 -7.934 1.00 32.40 C ATOM 73 CE2 PHE A 4 9.299 1.337 -9.692 1.00 74.11 C ATOM 74 CZ PHE A 4 8.589 2.304 -9.007 1.00 72.52 C ATOM 0 H PHE A 4 7.187 -3.858 -6.295 1.00 4.41 H new ATOM 0 HA PHE A 4 6.215 -1.469 -7.746 1.00 1.12 H new ATOM 0 HB2 PHE A 4 8.839 -1.918 -6.843 1.00 10.25 H new ATOM 0 HB3 PHE A 4 8.878 -2.413 -8.523 1.00 10.25 H new ATOM 0 HD1 PHE A 4 7.097 0.345 -6.707 1.00 4.24 H new ATOM 0 HD2 PHE A 4 9.774 -0.738 -9.838 1.00 71.13 H new ATOM 0 HE1 PHE A 4 7.240 2.699 -7.398 1.00 32.40 H new ATOM 0 HE2 PHE A 4 9.918 1.614 -10.532 1.00 74.11 H new ATOM 0 HZ PHE A 4 8.653 3.339 -9.310 1.00 72.52 H new ATOM 84 N ASP A 5 5.599 -2.922 -9.636 1.00 64.11 N ATOM 85 CA ASP A 5 5.207 -3.750 -10.771 1.00 13.04 C ATOM 86 C ASP A 5 5.938 -3.317 -12.038 1.00 30.53 C ATOM 87 O ASP A 5 5.518 -2.383 -12.722 1.00 35.41 O ATOM 88 CB ASP A 5 3.695 -3.671 -10.988 1.00 32.55 C ATOM 89 CG ASP A 5 3.011 -5.010 -10.789 1.00 22.01 C ATOM 90 OD1 ASP A 5 3.564 -6.033 -11.246 1.00 1.44 O ATOM 91 OD2 ASP A 5 1.924 -5.035 -10.176 1.00 33.11 O ATOM 0 H ASP A 5 5.047 -2.072 -9.524 1.00 64.11 H new ATOM 0 HA ASP A 5 5.482 -4.781 -10.549 1.00 13.04 H new ATOM 0 HB2 ASP A 5 3.269 -2.943 -10.298 1.00 32.55 H new ATOM 0 HB3 ASP A 5 3.494 -3.310 -11.997 1.00 32.55 H new ATOM 96 N LEU A 6 7.035 -4.002 -12.344 1.00 53.52 N ATOM 97 CA LEU A 6 7.826 -3.688 -13.529 1.00 10.30 C ATOM 98 C LEU A 6 7.343 -4.488 -14.734 1.00 70.41 C ATOM 99 O LEU A 6 7.966 -4.467 -15.796 1.00 15.20 O ATOM 100 CB LEU A 6 9.305 -3.977 -13.270 1.00 25.33 C ATOM 101 CG LEU A 6 10.024 -3.009 -12.329 1.00 31.41 C ATOM 102 CD1 LEU A 6 9.816 -1.572 -12.781 1.00 34.34 C ATOM 103 CD2 LEU A 6 9.539 -3.197 -10.899 1.00 14.42 C ATOM 0 H LEU A 6 7.396 -4.777 -11.789 1.00 53.52 H new ATOM 0 HA LEU A 6 7.702 -2.627 -13.748 1.00 10.30 H new ATOM 0 HB2 LEU A 6 9.391 -4.983 -12.859 1.00 25.33 H new ATOM 0 HB3 LEU A 6 9.827 -3.977 -14.227 1.00 25.33 H new ATOM 0 HG LEU A 6 11.092 -3.226 -12.360 1.00 31.41 H new ATOM 0 HD11 LEU A 6 10.335 -0.898 -12.100 1.00 34.34 H new ATOM 0 HD12 LEU A 6 10.213 -1.446 -13.788 1.00 34.34 H new ATOM 0 HD13 LEU A 6 8.751 -1.341 -12.780 1.00 34.34 H new ATOM 0 HD21 LEU A 6 10.061 -2.500 -10.243 1.00 14.42 H new ATOM 0 HD22 LEU A 6 8.467 -3.007 -10.850 1.00 14.42 H new ATOM 0 HD23 LEU A 6 9.741 -4.219 -10.578 1.00 14.42 H new ATOM 115 N ARG A 7 6.229 -5.192 -14.562 1.00 72.24 N ATOM 116 CA ARG A 7 5.662 -5.999 -15.636 1.00 54.12 C ATOM 117 C ARG A 7 5.536 -5.184 -16.920 1.00 61.12 C ATOM 118 O ARG A 7 6.128 -5.508 -17.950 1.00 55.13 O ATOM 119 CB ARG A 7 4.290 -6.540 -15.227 1.00 5.12 C ATOM 120 CG ARG A 7 4.229 -8.057 -15.164 1.00 35.25 C ATOM 121 CD ARG A 7 2.986 -8.534 -14.427 1.00 43.22 C ATOM 122 NE ARG A 7 1.821 -8.599 -15.305 1.00 60.41 N ATOM 123 CZ ARG A 7 0.588 -8.837 -14.873 1.00 33.22 C ATOM 124 NH1 ARG A 7 0.360 -9.031 -13.581 1.00 42.40 N ATOM 125 NH2 ARG A 7 -0.421 -8.881 -15.733 1.00 73.55 N ATOM 0 H ARG A 7 5.701 -5.220 -13.690 1.00 72.24 H new ATOM 0 HA ARG A 7 6.335 -6.836 -15.821 1.00 54.12 H new ATOM 0 HB2 ARG A 7 4.024 -6.133 -14.251 1.00 5.12 H new ATOM 0 HB3 ARG A 7 3.542 -6.184 -15.935 1.00 5.12 H new ATOM 0 HG2 ARG A 7 4.233 -8.465 -16.175 1.00 35.25 H new ATOM 0 HG3 ARG A 7 5.119 -8.438 -14.663 1.00 35.25 H new ATOM 0 HD2 ARG A 7 3.173 -9.519 -14.000 1.00 43.22 H new ATOM 0 HD3 ARG A 7 2.777 -7.861 -13.596 1.00 43.22 H new ATOM 0 HE ARG A 7 1.962 -8.454 -16.305 1.00 60.41 H new ATOM 0 HH11 ARG A 7 1.133 -8.998 -12.916 1.00 42.40 H new ATOM 0 HH12 ARG A 7 -0.588 -9.214 -13.252 1.00 42.40 H new ATOM 0 HH21 ARG A 7 -0.250 -8.732 -16.728 1.00 73.55 H new ATOM 0 HH22 ARG A 7 -1.368 -9.064 -15.400 1.00 73.55 H new ATOM 139 N PRO A 8 4.747 -4.101 -16.859 1.00 43.03 N ATOM 140 CA PRO A 8 4.526 -3.218 -18.008 1.00 15.41 C ATOM 141 C PRO A 8 5.769 -2.412 -18.369 1.00 22.35 C ATOM 142 O PRO A 8 5.826 -1.776 -19.422 1.00 31.50 O ATOM 143 CB PRO A 8 3.407 -2.288 -17.530 1.00 71.40 C ATOM 144 CG PRO A 8 3.527 -2.283 -16.045 1.00 60.41 C ATOM 145 CD PRO A 8 4.011 -3.655 -15.664 1.00 65.03 C ATOM 0 HA PRO A 8 4.279 -3.778 -18.910 1.00 15.41 H new ATOM 0 HB2 PRO A 8 3.524 -1.285 -17.940 1.00 71.40 H new ATOM 0 HB3 PRO A 8 2.429 -2.650 -17.847 1.00 71.40 H new ATOM 0 HG2 PRO A 8 4.227 -1.516 -15.713 1.00 60.41 H new ATOM 0 HG3 PRO A 8 2.567 -2.064 -15.577 1.00 60.41 H new ATOM 0 HD2 PRO A 8 4.654 -3.624 -14.784 1.00 65.03 H new ATOM 0 HD3 PRO A 8 3.182 -4.323 -15.430 1.00 65.03 H new ATOM 153 N LEU A 9 6.764 -2.444 -17.489 1.00 1.42 N ATOM 154 CA LEU A 9 8.009 -1.717 -17.715 1.00 15.41 C ATOM 155 C LEU A 9 8.950 -2.514 -18.611 1.00 62.52 C ATOM 156 O LEU A 9 8.911 -3.745 -18.632 1.00 4.10 O ATOM 157 CB LEU A 9 8.693 -1.410 -16.382 1.00 33.35 C ATOM 158 CG LEU A 9 8.494 0.004 -15.834 1.00 71.34 C ATOM 159 CD1 LEU A 9 7.544 -0.012 -14.647 1.00 31.21 C ATOM 160 CD2 LEU A 9 9.830 0.617 -15.442 1.00 64.34 C ATOM 0 H LEU A 9 6.733 -2.965 -16.613 1.00 1.42 H new ATOM 0 HA LEU A 9 7.767 -0.780 -18.216 1.00 15.41 H new ATOM 0 HB2 LEU A 9 8.331 -2.120 -15.639 1.00 33.35 H new ATOM 0 HB3 LEU A 9 9.763 -1.586 -16.496 1.00 33.35 H new ATOM 0 HG LEU A 9 8.052 0.618 -16.619 1.00 71.34 H new ATOM 0 HD11 LEU A 9 7.415 1.003 -14.271 1.00 31.21 H new ATOM 0 HD12 LEU A 9 6.578 -0.409 -14.959 1.00 31.21 H new ATOM 0 HD13 LEU A 9 7.957 -0.641 -13.859 1.00 31.21 H new ATOM 0 HD21 LEU A 9 9.669 1.623 -15.054 1.00 64.34 H new ATOM 0 HD22 LEU A 9 10.301 0.003 -14.674 1.00 64.34 H new ATOM 0 HD23 LEU A 9 10.479 0.665 -16.316 1.00 64.34 H new ATOM 172 N LYS A 10 9.797 -1.806 -19.350 1.00 5.12 N ATOM 173 CA LYS A 10 10.753 -2.447 -20.246 1.00 14.40 C ATOM 174 C LYS A 10 12.054 -2.765 -19.517 1.00 32.44 C ATOM 175 O LYS A 10 12.338 -2.202 -18.460 1.00 41.12 O ATOM 176 CB LYS A 10 11.038 -1.545 -21.449 1.00 72.35 C ATOM 177 CG LYS A 10 11.915 -0.350 -21.120 1.00 22.11 C ATOM 178 CD LYS A 10 12.118 0.544 -22.332 1.00 31.13 C ATOM 179 CE LYS A 10 10.919 1.451 -22.562 1.00 1.34 C ATOM 180 NZ LYS A 10 11.107 2.328 -23.751 1.00 32.22 N ATOM 0 H LYS A 10 9.841 -0.787 -19.346 1.00 5.12 H new ATOM 0 HA LYS A 10 10.315 -3.382 -20.595 1.00 14.40 H new ATOM 0 HB2 LYS A 10 11.520 -2.135 -22.228 1.00 72.35 H new ATOM 0 HB3 LYS A 10 10.092 -1.189 -21.858 1.00 72.35 H new ATOM 0 HG2 LYS A 10 11.459 0.226 -20.314 1.00 22.11 H new ATOM 0 HG3 LYS A 10 12.882 -0.697 -20.756 1.00 22.11 H new ATOM 0 HD2 LYS A 10 13.013 1.150 -22.192 1.00 31.13 H new ATOM 0 HD3 LYS A 10 12.285 -0.072 -23.216 1.00 31.13 H new ATOM 0 HE2 LYS A 10 10.024 0.843 -22.697 1.00 1.34 H new ATOM 0 HE3 LYS A 10 10.755 2.068 -21.678 1.00 1.34 H new ATOM 0 HZ1 LYS A 10 10.268 2.931 -23.874 1.00 32.22 H new ATOM 0 HZ2 LYS A 10 11.946 2.926 -23.612 1.00 32.22 H new ATOM 0 HZ3 LYS A 10 11.238 1.740 -24.599 1.00 32.22 H new ATOM 194 N ALA A 11 12.841 -3.671 -20.088 1.00 52.02 N ATOM 195 CA ALA A 11 14.113 -4.061 -19.494 1.00 22.41 C ATOM 196 C ALA A 11 15.147 -2.949 -19.630 1.00 41.13 C ATOM 197 O ALA A 11 15.149 -2.207 -20.612 1.00 2.03 O ATOM 198 CB ALA A 11 14.625 -5.342 -20.137 1.00 30.03 C ATOM 0 H ALA A 11 12.620 -4.149 -20.962 1.00 52.02 H new ATOM 0 HA ALA A 11 13.949 -4.241 -18.431 1.00 22.41 H new ATOM 0 HB1 ALA A 11 15.576 -5.622 -19.684 1.00 30.03 H new ATOM 0 HB2 ALA A 11 13.900 -6.141 -19.983 1.00 30.03 H new ATOM 0 HB3 ALA A 11 14.766 -5.181 -21.206 1.00 30.03 H new ATOM 204 N GLY A 12 16.025 -2.838 -18.638 1.00 64.31 N ATOM 205 CA GLY A 12 17.052 -1.813 -18.667 1.00 12.22 C ATOM 206 C GLY A 12 16.753 -0.667 -17.721 1.00 53.40 C ATOM 207 O GLY A 12 17.636 -0.201 -17.000 1.00 62.35 O ATOM 0 H GLY A 12 16.043 -3.440 -17.815 1.00 64.31 H new ATOM 0 HA2 GLY A 12 18.012 -2.257 -18.403 1.00 12.22 H new ATOM 0 HA3 GLY A 12 17.147 -1.427 -19.682 1.00 12.22 H new ATOM 211 N ILE A 13 15.505 -0.209 -17.724 1.00 62.30 N ATOM 212 CA ILE A 13 15.093 0.890 -16.860 1.00 60.02 C ATOM 213 C ILE A 13 14.359 0.375 -15.627 1.00 72.41 C ATOM 214 O ILE A 13 14.368 1.012 -14.574 1.00 10.30 O ATOM 215 CB ILE A 13 14.183 1.883 -17.608 1.00 25.12 C ATOM 216 CG1 ILE A 13 14.790 2.240 -18.966 1.00 52.14 C ATOM 217 CG2 ILE A 13 13.967 3.136 -16.772 1.00 64.31 C ATOM 218 CD1 ILE A 13 13.935 3.186 -19.780 1.00 13.54 C ATOM 0 H ILE A 13 14.762 -0.582 -18.315 1.00 62.30 H new ATOM 0 HA ILE A 13 16.002 1.405 -16.550 1.00 60.02 H new ATOM 0 HB ILE A 13 13.215 1.411 -17.776 1.00 25.12 H new ATOM 0 HG12 ILE A 13 15.770 2.692 -18.810 1.00 52.14 H new ATOM 0 HG13 ILE A 13 14.949 1.325 -19.536 1.00 52.14 H new ATOM 0 HG21 ILE A 13 13.322 3.828 -17.314 1.00 64.31 H new ATOM 0 HG22 ILE A 13 13.497 2.866 -15.827 1.00 64.31 H new ATOM 0 HG23 ILE A 13 14.927 3.613 -16.576 1.00 64.31 H new ATOM 0 HD11 ILE A 13 14.427 3.395 -20.730 1.00 13.54 H new ATOM 0 HD12 ILE A 13 12.964 2.729 -19.968 1.00 13.54 H new ATOM 0 HD13 ILE A 13 13.797 4.117 -19.230 1.00 13.54 H new ATOM 230 N PHE A 14 13.724 -0.785 -15.765 1.00 23.04 N ATOM 231 CA PHE A 14 12.985 -1.388 -14.661 1.00 42.44 C ATOM 232 C PHE A 14 13.903 -1.651 -13.471 1.00 63.45 C ATOM 233 O PHE A 14 13.459 -1.671 -12.324 1.00 52.43 O ATOM 234 CB PHE A 14 12.329 -2.694 -15.113 1.00 13.13 C ATOM 235 CG PHE A 14 13.269 -3.865 -15.123 1.00 31.23 C ATOM 236 CD1 PHE A 14 14.407 -3.850 -15.913 1.00 31.32 C ATOM 237 CD2 PHE A 14 13.014 -4.981 -14.342 1.00 63.43 C ATOM 238 CE1 PHE A 14 15.274 -4.926 -15.924 1.00 65.31 C ATOM 239 CE2 PHE A 14 13.878 -6.060 -14.349 1.00 63.11 C ATOM 240 CZ PHE A 14 15.009 -6.033 -15.142 1.00 20.12 C ATOM 0 H PHE A 14 13.706 -1.326 -16.630 1.00 23.04 H new ATOM 0 HA PHE A 14 12.209 -0.688 -14.350 1.00 42.44 H new ATOM 0 HB2 PHE A 14 11.490 -2.917 -14.453 1.00 13.13 H new ATOM 0 HB3 PHE A 14 11.920 -2.558 -16.114 1.00 13.13 H new ATOM 0 HD1 PHE A 14 14.619 -2.987 -16.527 1.00 31.32 H new ATOM 0 HD2 PHE A 14 12.131 -5.008 -13.721 1.00 63.43 H new ATOM 0 HE1 PHE A 14 16.158 -4.901 -16.544 1.00 65.31 H new ATOM 0 HE2 PHE A 14 13.669 -6.924 -13.735 1.00 63.11 H new ATOM 0 HZ PHE A 14 15.684 -6.876 -15.150 1.00 20.12 H new ATOM 250 N GLU A 15 15.186 -1.854 -13.755 1.00 22.50 N ATOM 251 CA GLU A 15 16.167 -2.119 -12.708 1.00 54.44 C ATOM 252 C GLU A 15 16.647 -0.817 -12.072 1.00 60.51 C ATOM 253 O GLU A 15 17.046 -0.794 -10.908 1.00 2.03 O ATOM 254 CB GLU A 15 17.358 -2.891 -13.278 1.00 42.11 C ATOM 255 CG GLU A 15 18.521 -3.018 -12.309 1.00 2.35 C ATOM 256 CD GLU A 15 19.690 -2.126 -12.680 1.00 63.31 C ATOM 257 OE1 GLU A 15 20.291 -2.351 -13.751 1.00 41.45 O ATOM 258 OE2 GLU A 15 20.004 -1.204 -11.899 1.00 0.13 O ATOM 0 H GLU A 15 15.570 -1.840 -14.700 1.00 22.50 H new ATOM 0 HA GLU A 15 15.687 -2.724 -11.939 1.00 54.44 H new ATOM 0 HB2 GLU A 15 17.028 -3.888 -13.569 1.00 42.11 H new ATOM 0 HB3 GLU A 15 17.703 -2.393 -14.184 1.00 42.11 H new ATOM 0 HG2 GLU A 15 18.181 -2.766 -11.304 1.00 2.35 H new ATOM 0 HG3 GLU A 15 18.855 -4.055 -12.282 1.00 2.35 H new ATOM 265 N ARG A 16 16.606 0.263 -12.845 1.00 72.20 N ATOM 266 CA ARG A 16 17.038 1.567 -12.359 1.00 3.45 C ATOM 267 C ARG A 16 15.942 2.229 -11.528 1.00 62.40 C ATOM 268 O ARG A 16 16.219 2.876 -10.517 1.00 62.13 O ATOM 269 CB ARG A 16 17.420 2.472 -13.532 1.00 11.04 C ATOM 270 CG ARG A 16 18.917 2.539 -13.788 1.00 33.54 C ATOM 271 CD ARG A 16 19.222 2.695 -15.269 1.00 61.00 C ATOM 272 NE ARG A 16 19.797 4.002 -15.574 1.00 40.43 N ATOM 273 CZ ARG A 16 21.058 4.329 -15.315 1.00 42.24 C ATOM 274 NH1 ARG A 16 21.872 3.448 -14.750 1.00 1.30 N ATOM 275 NH2 ARG A 16 21.508 5.539 -15.623 1.00 12.23 N ATOM 0 H ARG A 16 16.278 0.260 -13.811 1.00 72.20 H new ATOM 0 HA ARG A 16 17.912 1.418 -11.724 1.00 3.45 H new ATOM 0 HB2 ARG A 16 16.922 2.114 -14.433 1.00 11.04 H new ATOM 0 HB3 ARG A 16 17.048 3.478 -13.340 1.00 11.04 H new ATOM 0 HG2 ARG A 16 19.344 3.377 -13.237 1.00 33.54 H new ATOM 0 HG3 ARG A 16 19.393 1.634 -13.411 1.00 33.54 H new ATOM 0 HD2 ARG A 16 19.914 1.913 -15.581 1.00 61.00 H new ATOM 0 HD3 ARG A 16 18.306 2.559 -15.844 1.00 61.00 H new ATOM 0 HE ARG A 16 19.197 4.702 -16.010 1.00 40.43 H new ATOM 0 HH11 ARG A 16 21.530 2.517 -14.513 1.00 1.30 H new ATOM 0 HH12 ARG A 16 22.840 3.702 -14.552 1.00 1.30 H new ATOM 0 HH21 ARG A 16 20.885 6.219 -16.059 1.00 12.23 H new ATOM 0 HH22 ARG A 16 22.477 5.789 -15.424 1.00 12.23 H new ATOM 289 N LEU A 17 14.697 2.062 -11.961 1.00 4.00 N ATOM 290 CA LEU A 17 13.559 2.643 -11.258 1.00 73.11 C ATOM 291 C LEU A 17 13.331 1.946 -9.920 1.00 44.24 C ATOM 292 O LEU A 17 12.756 2.524 -8.999 1.00 52.21 O ATOM 293 CB LEU A 17 12.298 2.543 -12.119 1.00 0.13 C ATOM 294 CG LEU A 17 11.629 3.868 -12.485 1.00 12.30 C ATOM 295 CD1 LEU A 17 11.136 4.581 -11.235 1.00 61.11 C ATOM 296 CD2 LEU A 17 12.591 4.755 -13.262 1.00 71.23 C ATOM 0 H LEU A 17 14.450 1.529 -12.795 1.00 4.00 H new ATOM 0 HA LEU A 17 13.779 3.693 -11.067 1.00 73.11 H new ATOM 0 HB2 LEU A 17 12.552 2.020 -13.041 1.00 0.13 H new ATOM 0 HB3 LEU A 17 11.571 1.925 -11.593 1.00 0.13 H new ATOM 0 HG LEU A 17 10.769 3.655 -13.120 1.00 12.30 H new ATOM 0 HD11 LEU A 17 10.663 5.522 -11.516 1.00 61.11 H new ATOM 0 HD12 LEU A 17 10.412 3.951 -10.718 1.00 61.11 H new ATOM 0 HD13 LEU A 17 11.979 4.782 -10.574 1.00 61.11 H new ATOM 0 HD21 LEU A 17 12.098 5.694 -13.514 1.00 71.23 H new ATOM 0 HD22 LEU A 17 13.471 4.960 -12.652 1.00 71.23 H new ATOM 0 HD23 LEU A 17 12.895 4.248 -14.178 1.00 71.23 H new ATOM 308 N GLU A 18 13.789 0.702 -9.822 1.00 4.05 N ATOM 309 CA GLU A 18 13.637 -0.072 -8.595 1.00 74.34 C ATOM 310 C GLU A 18 14.243 0.667 -7.406 1.00 13.10 C ATOM 311 O GLU A 18 13.773 0.536 -6.276 1.00 61.42 O ATOM 312 CB GLU A 18 14.296 -1.445 -8.747 1.00 4.51 C ATOM 313 CG GLU A 18 13.404 -2.599 -8.322 1.00 43.13 C ATOM 314 CD GLU A 18 13.095 -3.548 -9.464 1.00 50.31 C ATOM 315 OE1 GLU A 18 12.431 -3.118 -10.430 1.00 52.21 O ATOM 316 OE2 GLU A 18 13.518 -4.721 -9.391 1.00 52.41 O ATOM 0 H GLU A 18 14.268 0.209 -10.576 1.00 4.05 H new ATOM 0 HA GLU A 18 12.571 -0.207 -8.411 1.00 74.34 H new ATOM 0 HB2 GLU A 18 14.587 -1.586 -9.788 1.00 4.51 H new ATOM 0 HB3 GLU A 18 15.211 -1.467 -8.155 1.00 4.51 H new ATOM 0 HG2 GLU A 18 13.889 -3.151 -7.517 1.00 43.13 H new ATOM 0 HG3 GLU A 18 12.471 -2.204 -7.920 1.00 43.13 H new ATOM 323 N GLU A 19 15.289 1.444 -7.670 1.00 72.20 N ATOM 324 CA GLU A 19 15.960 2.203 -6.621 1.00 71.32 C ATOM 325 C GLU A 19 15.166 3.455 -6.263 1.00 15.41 C ATOM 326 O GLU A 19 15.230 3.943 -5.134 1.00 13.24 O ATOM 327 CB GLU A 19 17.372 2.591 -7.066 1.00 32.45 C ATOM 328 CG GLU A 19 18.092 3.498 -6.082 1.00 55.12 C ATOM 329 CD GLU A 19 18.240 4.916 -6.598 1.00 53.31 C ATOM 330 OE1 GLU A 19 19.174 5.165 -7.389 1.00 74.43 O ATOM 331 OE2 GLU A 19 17.423 5.778 -6.211 1.00 33.51 O ATOM 0 H GLU A 19 15.690 1.564 -8.600 1.00 72.20 H new ATOM 0 HA GLU A 19 16.026 1.571 -5.736 1.00 71.32 H new ATOM 0 HB2 GLU A 19 17.961 1.685 -7.210 1.00 32.45 H new ATOM 0 HB3 GLU A 19 17.315 3.091 -8.033 1.00 32.45 H new ATOM 0 HG2 GLU A 19 17.544 3.513 -5.140 1.00 55.12 H new ATOM 0 HG3 GLU A 19 19.079 3.087 -5.870 1.00 55.12 H new ATOM 338 N LEU A 20 14.418 3.972 -7.232 1.00 34.52 N ATOM 339 CA LEU A 20 13.610 5.168 -7.020 1.00 42.01 C ATOM 340 C LEU A 20 12.577 4.941 -5.921 1.00 25.31 C ATOM 341 O LEU A 20 12.257 5.853 -5.158 1.00 63.03 O ATOM 342 CB LEU A 20 12.909 5.571 -8.319 1.00 23.52 C ATOM 343 CG LEU A 20 13.342 6.904 -8.930 1.00 22.32 C ATOM 344 CD1 LEU A 20 14.207 6.672 -10.159 1.00 21.20 C ATOM 345 CD2 LEU A 20 12.127 7.748 -9.282 1.00 55.55 C ATOM 0 H LEU A 20 14.354 3.582 -8.172 1.00 34.52 H new ATOM 0 HA LEU A 20 14.274 5.974 -6.707 1.00 42.01 H new ATOM 0 HB2 LEU A 20 13.074 4.785 -9.056 1.00 23.52 H new ATOM 0 HB3 LEU A 20 11.836 5.612 -8.132 1.00 23.52 H new ATOM 0 HG LEU A 20 13.934 7.445 -8.192 1.00 22.32 H new ATOM 0 HD11 LEU A 20 14.506 7.632 -10.580 1.00 21.20 H new ATOM 0 HD12 LEU A 20 15.096 6.107 -9.877 1.00 21.20 H new ATOM 0 HD13 LEU A 20 13.641 6.110 -10.902 1.00 21.20 H new ATOM 0 HD21 LEU A 20 12.454 8.693 -9.716 1.00 55.55 H new ATOM 0 HD22 LEU A 20 11.509 7.213 -10.002 1.00 55.55 H new ATOM 0 HD23 LEU A 20 11.547 7.944 -8.380 1.00 55.55 H new ATOM 357 N ILE A 21 12.062 3.719 -5.844 1.00 72.54 N ATOM 358 CA ILE A 21 11.068 3.371 -4.836 1.00 62.12 C ATOM 359 C ILE A 21 11.734 2.933 -3.536 1.00 60.22 C ATOM 360 O ILE A 21 11.191 3.135 -2.451 1.00 34.41 O ATOM 361 CB ILE A 21 10.137 2.247 -5.327 1.00 62.44 C ATOM 362 CG1 ILE A 21 9.097 1.912 -4.257 1.00 13.13 C ATOM 363 CG2 ILE A 21 10.946 1.011 -5.692 1.00 61.21 C ATOM 364 CD1 ILE A 21 8.234 3.091 -3.863 1.00 63.20 C ATOM 0 H ILE A 21 12.316 2.953 -6.468 1.00 72.54 H new ATOM 0 HA ILE A 21 10.476 4.268 -4.654 1.00 62.12 H new ATOM 0 HB ILE A 21 9.614 2.592 -6.219 1.00 62.44 H new ATOM 0 HG12 ILE A 21 8.457 1.109 -4.623 1.00 13.13 H new ATOM 0 HG13 ILE A 21 9.608 1.534 -3.371 1.00 13.13 H new ATOM 0 HG21 ILE A 21 10.274 0.225 -6.037 1.00 61.21 H new ATOM 0 HG22 ILE A 21 11.652 1.259 -6.485 1.00 61.21 H new ATOM 0 HG23 ILE A 21 11.492 0.662 -4.816 1.00 61.21 H new ATOM 0 HD11 ILE A 21 7.520 2.780 -3.101 1.00 63.20 H new ATOM 0 HD12 ILE A 21 8.864 3.887 -3.467 1.00 63.20 H new ATOM 0 HD13 ILE A 21 7.696 3.456 -4.738 1.00 63.20 H new ATOM 376 N GLU A 22 12.915 2.334 -3.655 1.00 72.41 N ATOM 377 CA GLU A 22 13.655 1.868 -2.488 1.00 43.04 C ATOM 378 C GLU A 22 13.902 3.012 -1.509 1.00 25.32 C ATOM 379 O GLU A 22 14.061 2.793 -0.308 1.00 33.34 O ATOM 380 CB GLU A 22 14.989 1.251 -2.916 1.00 34.22 C ATOM 381 CG GLU A 22 14.972 -0.268 -2.954 1.00 73.01 C ATOM 382 CD GLU A 22 14.472 -0.879 -1.659 1.00 44.31 C ATOM 383 OE1 GLU A 22 14.501 -0.181 -0.624 1.00 22.43 O ATOM 384 OE2 GLU A 22 14.052 -2.055 -1.682 1.00 5.23 O ATOM 0 H GLU A 22 13.379 2.160 -4.546 1.00 72.41 H new ATOM 0 HA GLU A 22 13.055 1.108 -1.988 1.00 43.04 H new ATOM 0 HB2 GLU A 22 15.254 1.628 -3.904 1.00 34.22 H new ATOM 0 HB3 GLU A 22 15.769 1.580 -2.230 1.00 34.22 H new ATOM 0 HG2 GLU A 22 14.338 -0.600 -3.776 1.00 73.01 H new ATOM 0 HG3 GLU A 22 15.978 -0.634 -3.159 1.00 73.01 H new ATOM 391 N LYS A 23 13.935 4.233 -2.031 1.00 1.22 N ATOM 392 CA LYS A 23 14.162 5.413 -1.205 1.00 22.03 C ATOM 393 C LYS A 23 13.021 5.610 -0.212 1.00 23.45 C ATOM 394 O LYS A 23 13.249 5.948 0.949 1.00 22.34 O ATOM 395 CB LYS A 23 14.307 6.657 -2.084 1.00 73.24 C ATOM 396 CG LYS A 23 15.714 7.227 -2.105 1.00 43.01 C ATOM 397 CD LYS A 23 15.959 8.151 -0.924 1.00 51.52 C ATOM 398 CE LYS A 23 17.430 8.517 -0.798 1.00 12.12 C ATOM 399 NZ LYS A 23 18.115 7.708 0.248 1.00 72.33 N ATOM 0 H LYS A 23 13.807 4.432 -3.023 1.00 1.22 H new ATOM 0 HA LYS A 23 15.085 5.261 -0.646 1.00 22.03 H new ATOM 0 HB2 LYS A 23 14.010 6.408 -3.103 1.00 73.24 H new ATOM 0 HB3 LYS A 23 13.619 7.424 -1.729 1.00 73.24 H new ATOM 0 HG2 LYS A 23 16.438 6.412 -2.087 1.00 43.01 H new ATOM 0 HG3 LYS A 23 15.872 7.774 -3.035 1.00 43.01 H new ATOM 0 HD2 LYS A 23 15.366 9.058 -1.041 1.00 51.52 H new ATOM 0 HD3 LYS A 23 15.623 7.667 -0.007 1.00 51.52 H new ATOM 0 HE2 LYS A 23 17.925 8.365 -1.757 1.00 12.12 H new ATOM 0 HE3 LYS A 23 17.521 9.576 -0.556 1.00 12.12 H new ATOM 0 HZ1 LYS A 23 19.115 7.987 0.303 1.00 72.33 H new ATOM 0 HZ2 LYS A 23 17.659 7.872 1.168 1.00 72.33 H new ATOM 0 HZ3 LYS A 23 18.050 6.699 0.004 1.00 72.33 H new ATOM 413 N GLU A 24 11.795 5.394 -0.676 1.00 55.00 N ATOM 414 CA GLU A 24 10.619 5.547 0.173 1.00 1.42 C ATOM 415 C GLU A 24 10.487 4.372 1.137 1.00 21.21 C ATOM 416 O GLU A 24 10.127 4.547 2.301 1.00 42.23 O ATOM 417 CB GLU A 24 9.356 5.664 -0.683 1.00 31.34 C ATOM 418 CG GLU A 24 8.544 6.917 -0.402 1.00 31.11 C ATOM 419 CD GLU A 24 7.210 6.613 0.253 1.00 4.51 C ATOM 420 OE1 GLU A 24 6.425 5.839 -0.331 1.00 34.52 O ATOM 421 OE2 GLU A 24 6.953 7.151 1.351 1.00 42.44 O ATOM 0 H GLU A 24 11.590 5.113 -1.635 1.00 55.00 H new ATOM 0 HA GLU A 24 10.740 6.460 0.756 1.00 1.42 H new ATOM 0 HB2 GLU A 24 9.638 5.653 -1.736 1.00 31.34 H new ATOM 0 HB3 GLU A 24 8.729 4.789 -0.512 1.00 31.34 H new ATOM 0 HG2 GLU A 24 9.119 7.581 0.244 1.00 31.11 H new ATOM 0 HG3 GLU A 24 8.372 7.451 -1.336 1.00 31.11 H new ATOM 428 N MET A 25 10.781 3.173 0.643 1.00 14.41 N ATOM 429 CA MET A 25 10.695 1.969 1.460 1.00 25.43 C ATOM 430 C MET A 25 11.541 2.107 2.723 1.00 53.04 C ATOM 431 O MET A 25 12.600 2.734 2.705 1.00 73.53 O ATOM 432 CB MET A 25 11.152 0.749 0.658 1.00 63.22 C ATOM 433 CG MET A 25 10.323 0.498 -0.591 1.00 71.40 C ATOM 434 SD MET A 25 8.594 0.148 -0.218 1.00 12.52 S ATOM 435 CE MET A 25 8.741 -1.420 0.635 1.00 44.14 C ATOM 0 H MET A 25 11.081 3.010 -0.318 1.00 14.41 H new ATOM 0 HA MET A 25 9.654 1.833 1.754 1.00 25.43 H new ATOM 0 HB2 MET A 25 12.195 0.883 0.371 1.00 63.22 H new ATOM 0 HB3 MET A 25 11.108 -0.133 1.297 1.00 63.22 H new ATOM 0 HG2 MET A 25 10.381 1.370 -1.242 1.00 71.40 H new ATOM 0 HG3 MET A 25 10.749 -0.340 -1.143 1.00 71.40 H new ATOM 0 HE1 MET A 25 8.319 -2.212 0.016 1.00 44.14 H new ATOM 0 HE2 MET A 25 9.793 -1.632 0.828 1.00 44.14 H new ATOM 0 HE3 MET A 25 8.201 -1.372 1.581 1.00 44.14 H new ATOM 445 N GLN A 26 11.065 1.519 3.815 1.00 20.24 N ATOM 446 CA GLN A 26 11.778 1.578 5.086 1.00 13.41 C ATOM 447 C GLN A 26 13.122 0.865 4.990 1.00 2.01 C ATOM 448 O GLN A 26 13.360 0.055 4.094 1.00 21.11 O ATOM 449 CB GLN A 26 10.934 0.953 6.198 1.00 14.42 C ATOM 450 CG GLN A 26 10.331 1.973 7.151 1.00 53.44 C ATOM 451 CD GLN A 26 8.817 2.012 7.082 1.00 33.04 C ATOM 452 OE1 GLN A 26 8.131 1.525 7.982 1.00 54.53 O ATOM 453 NE2 GLN A 26 8.287 2.593 6.012 1.00 33.42 N ATOM 0 H GLN A 26 10.189 0.997 3.846 1.00 20.24 H new ATOM 0 HA GLN A 26 11.960 2.626 5.323 1.00 13.41 H new ATOM 0 HB2 GLN A 26 10.131 0.369 5.748 1.00 14.42 H new ATOM 0 HB3 GLN A 26 11.553 0.259 6.766 1.00 14.42 H new ATOM 0 HG2 GLN A 26 10.639 1.739 8.170 1.00 53.44 H new ATOM 0 HG3 GLN A 26 10.727 2.961 6.918 1.00 53.44 H new ATOM 0 HE21 GLN A 26 8.893 2.983 5.291 1.00 33.42 H new ATOM 0 HE22 GLN A 26 7.274 2.649 5.912 1.00 33.42 H new ATOM 462 N PRO A 27 14.024 1.172 5.934 1.00 21.34 N ATOM 463 CA PRO A 27 15.360 0.571 5.978 1.00 64.42 C ATOM 464 C PRO A 27 15.320 -0.906 6.357 1.00 12.34 C ATOM 465 O PRO A 27 16.340 -1.593 6.323 1.00 35.14 O ATOM 466 CB PRO A 27 16.079 1.381 7.059 1.00 1.22 C ATOM 467 CG PRO A 27 14.989 1.895 7.935 1.00 52.02 C ATOM 468 CD PRO A 27 13.809 2.129 7.033 1.00 74.42 C ATOM 0 HA PRO A 27 15.852 0.601 5.006 1.00 64.42 H new ATOM 0 HB2 PRO A 27 16.778 0.760 7.620 1.00 1.22 H new ATOM 0 HB3 PRO A 27 16.656 2.197 6.624 1.00 1.22 H new ATOM 0 HG2 PRO A 27 14.746 1.176 8.718 1.00 52.02 H new ATOM 0 HG3 PRO A 27 15.290 2.818 8.432 1.00 52.02 H new ATOM 0 HD2 PRO A 27 12.866 1.944 7.548 1.00 74.42 H new ATOM 0 HD3 PRO A 27 13.778 3.157 6.671 1.00 74.42 H new ATOM 476 N ASN A 28 14.135 -1.387 6.718 1.00 14.14 N ATOM 477 CA ASN A 28 13.962 -2.783 7.105 1.00 53.54 C ATOM 478 C ASN A 28 12.602 -3.307 6.654 1.00 71.32 C ATOM 479 O ASN A 28 11.983 -4.123 7.337 1.00 44.23 O ATOM 480 CB ASN A 28 14.103 -2.935 8.620 1.00 32.25 C ATOM 481 CG ASN A 28 14.827 -4.210 9.008 1.00 5.43 C ATOM 482 OD1 ASN A 28 14.450 -5.304 8.589 1.00 13.20 O ATOM 483 ND2 ASN A 28 15.875 -4.073 9.813 1.00 33.03 N ATOM 0 H ASN A 28 13.280 -0.831 6.751 1.00 14.14 H new ATOM 0 HA ASN A 28 14.739 -3.370 6.614 1.00 53.54 H new ATOM 0 HB2 ASN A 28 14.644 -2.077 9.020 1.00 32.25 H new ATOM 0 HB3 ASN A 28 13.113 -2.929 9.077 1.00 32.25 H new ATOM 0 HD21 ASN A 28 16.402 -4.895 10.108 1.00 33.03 H new ATOM 0 HD22 ASN A 28 16.152 -3.146 10.136 1.00 33.03 H new ATOM 490 N GLU A 29 12.144 -2.833 5.499 1.00 31.43 N ATOM 491 CA GLU A 29 10.857 -3.255 4.958 1.00 43.01 C ATOM 492 C GLU A 29 11.048 -4.171 3.752 1.00 21.04 C ATOM 493 O GLU A 29 12.150 -4.289 3.216 1.00 0.32 O ATOM 494 CB GLU A 29 10.023 -2.036 4.559 1.00 34.20 C ATOM 495 CG GLU A 29 8.810 -1.812 5.446 1.00 35.52 C ATOM 496 CD GLU A 29 7.707 -1.044 4.744 1.00 11.00 C ATOM 497 OE1 GLU A 29 8.024 -0.059 4.044 1.00 20.40 O ATOM 498 OE2 GLU A 29 6.528 -1.426 4.894 1.00 31.44 O ATOM 0 H GLU A 29 12.644 -2.158 4.921 1.00 31.43 H new ATOM 0 HA GLU A 29 10.329 -3.810 5.734 1.00 43.01 H new ATOM 0 HB2 GLU A 29 10.655 -1.148 4.590 1.00 34.20 H new ATOM 0 HB3 GLU A 29 9.691 -2.155 3.528 1.00 34.20 H new ATOM 0 HG2 GLU A 29 8.423 -2.776 5.776 1.00 35.52 H new ATOM 0 HG3 GLU A 29 9.114 -1.268 6.340 1.00 35.52 H new ATOM 505 N VAL A 30 9.966 -4.819 3.332 1.00 43.34 N ATOM 506 CA VAL A 30 10.013 -5.724 2.190 1.00 61.04 C ATOM 507 C VAL A 30 9.503 -5.041 0.926 1.00 72.23 C ATOM 508 O VAL A 30 8.528 -4.291 0.964 1.00 42.23 O ATOM 509 CB VAL A 30 9.180 -6.994 2.446 1.00 63.13 C ATOM 510 CG1 VAL A 30 8.406 -7.386 1.197 1.00 71.04 C ATOM 511 CG2 VAL A 30 10.076 -8.134 2.907 1.00 11.13 C ATOM 0 H VAL A 30 9.047 -4.734 3.765 1.00 43.34 H new ATOM 0 HA VAL A 30 11.057 -6.005 2.051 1.00 61.04 H new ATOM 0 HB VAL A 30 8.462 -6.783 3.238 1.00 63.13 H new ATOM 0 HG11 VAL A 30 7.824 -8.285 1.397 1.00 71.04 H new ATOM 0 HG12 VAL A 30 7.735 -6.574 0.915 1.00 71.04 H new ATOM 0 HG13 VAL A 30 9.104 -7.580 0.382 1.00 71.04 H new ATOM 0 HG21 VAL A 30 9.471 -9.024 3.083 1.00 11.13 H new ATOM 0 HG22 VAL A 30 10.819 -8.347 2.138 1.00 11.13 H new ATOM 0 HG23 VAL A 30 10.581 -7.850 3.830 1.00 11.13 H new ATOM 521 N ALA A 31 10.168 -5.307 -0.194 1.00 20.13 N ATOM 522 CA ALA A 31 9.780 -4.720 -1.470 1.00 64.44 C ATOM 523 C ALA A 31 9.585 -5.797 -2.533 1.00 2.14 C ATOM 524 O ALA A 31 10.537 -6.468 -2.932 1.00 4.12 O ATOM 525 CB ALA A 31 10.823 -3.710 -1.925 1.00 62.23 C ATOM 0 H ALA A 31 10.978 -5.925 -0.243 1.00 20.13 H new ATOM 0 HA ALA A 31 8.829 -4.206 -1.331 1.00 64.44 H new ATOM 0 HB1 ALA A 31 10.520 -3.279 -2.879 1.00 62.23 H new ATOM 0 HB2 ALA A 31 10.911 -2.918 -1.181 1.00 62.23 H new ATOM 0 HB3 ALA A 31 11.786 -4.208 -2.041 1.00 62.23 H new ATOM 531 N ILE A 32 8.346 -5.957 -2.986 1.00 4.24 N ATOM 532 CA ILE A 32 8.028 -6.952 -4.002 1.00 14.02 C ATOM 533 C ILE A 32 8.127 -6.358 -5.403 1.00 31.31 C ATOM 534 O ILE A 32 7.275 -5.572 -5.818 1.00 32.34 O ATOM 535 CB ILE A 32 6.614 -7.530 -3.800 1.00 43.32 C ATOM 536 CG1 ILE A 32 6.596 -8.487 -2.607 1.00 65.41 C ATOM 537 CG2 ILE A 32 6.147 -8.239 -5.063 1.00 11.35 C ATOM 538 CD1 ILE A 32 5.416 -8.281 -1.684 1.00 71.01 C ATOM 0 H ILE A 32 7.547 -5.411 -2.665 1.00 4.24 H new ATOM 0 HA ILE A 32 8.758 -7.754 -3.898 1.00 14.02 H new ATOM 0 HB ILE A 32 5.928 -6.709 -3.593 1.00 43.32 H new ATOM 0 HG12 ILE A 32 6.584 -9.513 -2.975 1.00 65.41 H new ATOM 0 HG13 ILE A 32 7.518 -8.363 -2.038 1.00 65.41 H new ATOM 0 HG21 ILE A 32 5.147 -8.642 -4.905 1.00 11.35 H new ATOM 0 HG22 ILE A 32 6.126 -7.531 -5.891 1.00 11.35 H new ATOM 0 HG23 ILE A 32 6.833 -9.053 -5.298 1.00 11.35 H new ATOM 0 HD11 ILE A 32 5.469 -8.994 -0.861 1.00 71.01 H new ATOM 0 HD12 ILE A 32 5.438 -7.266 -1.287 1.00 71.01 H new ATOM 0 HD13 ILE A 32 4.490 -8.434 -2.238 1.00 71.01 H new ATOM 550 N PHE A 33 9.172 -6.741 -6.129 1.00 1.21 N ATOM 551 CA PHE A 33 9.383 -6.247 -7.485 1.00 30.12 C ATOM 552 C PHE A 33 8.978 -7.297 -8.515 1.00 61.40 C ATOM 553 O PHE A 33 9.693 -8.275 -8.734 1.00 34.23 O ATOM 554 CB PHE A 33 10.849 -5.857 -7.686 1.00 72.31 C ATOM 555 CG PHE A 33 11.351 -4.870 -6.672 1.00 3.01 C ATOM 556 CD1 PHE A 33 10.534 -3.848 -6.216 1.00 33.41 C ATOM 557 CD2 PHE A 33 12.641 -4.964 -6.174 1.00 51.41 C ATOM 558 CE1 PHE A 33 10.994 -2.938 -5.283 1.00 71.23 C ATOM 559 CE2 PHE A 33 13.107 -4.056 -5.241 1.00 34.50 C ATOM 560 CZ PHE A 33 12.281 -3.043 -4.794 1.00 65.13 C ATOM 0 H PHE A 33 9.886 -7.392 -5.801 1.00 1.21 H new ATOM 0 HA PHE A 33 8.757 -5.365 -7.626 1.00 30.12 H new ATOM 0 HB2 PHE A 33 11.465 -6.755 -7.643 1.00 72.31 H new ATOM 0 HB3 PHE A 33 10.971 -5.435 -8.683 1.00 72.31 H new ATOM 0 HD1 PHE A 33 9.526 -3.761 -6.594 1.00 33.41 H new ATOM 0 HD2 PHE A 33 13.290 -5.756 -6.519 1.00 51.41 H new ATOM 0 HE1 PHE A 33 10.347 -2.145 -4.937 1.00 71.23 H new ATOM 0 HE2 PHE A 33 14.115 -4.139 -4.862 1.00 34.50 H new ATOM 0 HZ PHE A 33 12.641 -2.334 -4.063 1.00 65.13 H new ATOM 570 N MET A 34 7.827 -7.087 -9.144 1.00 74.14 N ATOM 571 CA MET A 34 7.326 -8.015 -10.152 1.00 44.01 C ATOM 572 C MET A 34 8.015 -7.784 -11.493 1.00 41.14 C ATOM 573 O MET A 34 8.098 -6.653 -11.973 1.00 62.01 O ATOM 574 CB MET A 34 5.812 -7.862 -10.310 1.00 24.40 C ATOM 575 CG MET A 34 5.011 -8.801 -9.423 1.00 21.41 C ATOM 576 SD MET A 34 3.798 -9.764 -10.347 1.00 0.52 S ATOM 577 CE MET A 34 4.825 -10.444 -11.647 1.00 53.55 C ATOM 0 H MET A 34 7.223 -6.283 -8.974 1.00 74.14 H new ATOM 0 HA MET A 34 7.548 -9.029 -9.819 1.00 44.01 H new ATOM 0 HB2 MET A 34 5.533 -6.833 -10.082 1.00 24.40 H new ATOM 0 HB3 MET A 34 5.544 -8.041 -11.351 1.00 24.40 H new ATOM 0 HG2 MET A 34 5.693 -9.479 -8.910 1.00 21.41 H new ATOM 0 HG3 MET A 34 4.500 -8.221 -8.655 1.00 21.41 H new ATOM 0 HE1 MET A 34 4.440 -10.130 -12.617 1.00 53.55 H new ATOM 0 HE2 MET A 34 5.847 -10.084 -11.529 1.00 53.55 H new ATOM 0 HE3 MET A 34 4.814 -11.532 -11.588 1.00 53.55 H new ATOM 587 N PHE A 35 8.508 -8.862 -12.094 1.00 72.11 N ATOM 588 CA PHE A 35 9.191 -8.776 -13.380 1.00 34.13 C ATOM 589 C PHE A 35 8.672 -9.840 -14.343 1.00 25.11 C ATOM 590 O PHE A 35 8.571 -11.014 -13.990 1.00 22.51 O ATOM 591 CB PHE A 35 10.701 -8.935 -13.191 1.00 14.12 C ATOM 592 CG PHE A 35 11.109 -10.314 -12.759 1.00 31.25 C ATOM 593 CD1 PHE A 35 10.844 -10.759 -11.473 1.00 51.42 C ATOM 594 CD2 PHE A 35 11.758 -11.166 -13.637 1.00 63.14 C ATOM 595 CE1 PHE A 35 11.218 -12.027 -11.072 1.00 71.42 C ATOM 596 CE2 PHE A 35 12.134 -12.436 -13.242 1.00 62.02 C ATOM 597 CZ PHE A 35 11.865 -12.867 -11.958 1.00 12.22 C ATOM 0 H PHE A 35 8.447 -9.805 -11.711 1.00 72.11 H new ATOM 0 HA PHE A 35 8.987 -7.794 -13.807 1.00 34.13 H new ATOM 0 HB2 PHE A 35 11.204 -8.693 -14.127 1.00 14.12 H new ATOM 0 HB3 PHE A 35 11.044 -8.214 -12.449 1.00 14.12 H new ATOM 0 HD1 PHE A 35 10.339 -10.106 -10.776 1.00 51.42 H new ATOM 0 HD2 PHE A 35 11.973 -10.834 -14.642 1.00 63.14 H new ATOM 0 HE1 PHE A 35 11.005 -12.361 -10.067 1.00 71.42 H new ATOM 0 HE2 PHE A 35 12.638 -13.091 -13.937 1.00 62.02 H new ATOM 0 HZ PHE A 35 12.160 -13.858 -11.647 1.00 12.22 H new ATOM 607 N GLU A 36 8.345 -9.419 -15.561 1.00 5.23 N ATOM 608 CA GLU A 36 7.836 -10.335 -16.574 1.00 64.12 C ATOM 609 C GLU A 36 8.907 -10.641 -17.618 1.00 53.32 C ATOM 610 O GLU A 36 8.776 -11.582 -18.400 1.00 60.44 O ATOM 611 CB GLU A 36 6.600 -9.743 -17.254 1.00 32.32 C ATOM 612 CG GLU A 36 6.879 -8.456 -18.011 1.00 60.02 C ATOM 613 CD GLU A 36 7.210 -8.698 -19.471 1.00 24.21 C ATOM 614 OE1 GLU A 36 6.663 -9.659 -20.052 1.00 14.34 O ATOM 615 OE2 GLU A 36 8.017 -7.928 -20.032 1.00 62.15 O ATOM 0 H GLU A 36 8.424 -8.450 -15.870 1.00 5.23 H new ATOM 0 HA GLU A 36 7.559 -11.266 -16.079 1.00 64.12 H new ATOM 0 HB2 GLU A 36 6.188 -10.479 -17.945 1.00 32.32 H new ATOM 0 HB3 GLU A 36 5.837 -9.552 -16.499 1.00 32.32 H new ATOM 0 HG2 GLU A 36 6.009 -7.803 -17.943 1.00 60.02 H new ATOM 0 HG3 GLU A 36 7.709 -7.932 -17.536 1.00 60.02 H new ATOM 622 N VAL A 37 9.966 -9.837 -17.624 1.00 74.14 N ATOM 623 CA VAL A 37 11.059 -10.021 -18.571 1.00 2.20 C ATOM 624 C VAL A 37 11.972 -11.164 -18.141 1.00 74.24 C ATOM 625 O VAL A 37 12.075 -11.478 -16.956 1.00 45.24 O ATOM 626 CB VAL A 37 11.897 -8.737 -18.716 1.00 42.24 C ATOM 627 CG1 VAL A 37 12.816 -8.833 -19.925 1.00 4.25 C ATOM 628 CG2 VAL A 37 10.992 -7.519 -18.821 1.00 14.03 C ATOM 0 H VAL A 37 10.090 -9.053 -16.984 1.00 74.14 H new ATOM 0 HA VAL A 37 10.607 -10.263 -19.533 1.00 2.20 H new ATOM 0 HB VAL A 37 12.516 -8.626 -17.826 1.00 42.24 H new ATOM 0 HG11 VAL A 37 13.400 -7.917 -20.012 1.00 4.25 H new ATOM 0 HG12 VAL A 37 13.489 -9.682 -19.804 1.00 4.25 H new ATOM 0 HG13 VAL A 37 12.218 -8.969 -20.826 1.00 4.25 H new ATOM 0 HG21 VAL A 37 11.601 -6.621 -18.923 1.00 14.03 H new ATOM 0 HG22 VAL A 37 10.346 -7.620 -19.693 1.00 14.03 H new ATOM 0 HG23 VAL A 37 10.380 -7.442 -17.923 1.00 14.03 H new ATOM 638 N GLY A 38 12.632 -11.784 -19.114 1.00 65.44 N ATOM 639 CA GLY A 38 13.529 -12.886 -18.817 1.00 34.50 C ATOM 640 C GLY A 38 14.799 -12.431 -18.127 1.00 42.34 C ATOM 641 O GLY A 38 15.599 -13.252 -17.680 1.00 24.24 O ATOM 0 H GLY A 38 12.562 -11.543 -20.103 1.00 65.44 H new ATOM 0 HA2 GLY A 38 13.014 -13.609 -18.184 1.00 34.50 H new ATOM 0 HA3 GLY A 38 13.787 -13.400 -19.743 1.00 34.50 H new ATOM 645 N ASP A 39 14.986 -11.118 -18.043 1.00 24.30 N ATOM 646 CA ASP A 39 16.169 -10.554 -17.404 1.00 24.34 C ATOM 647 C ASP A 39 16.150 -10.812 -15.900 1.00 74.01 C ATOM 648 O ASP A 39 15.676 -9.982 -15.124 1.00 20.24 O ATOM 649 CB ASP A 39 16.254 -9.051 -17.675 1.00 24.42 C ATOM 650 CG ASP A 39 17.136 -8.727 -18.865 1.00 1.24 C ATOM 651 OD1 ASP A 39 18.140 -9.440 -19.070 1.00 43.34 O ATOM 652 OD2 ASP A 39 16.822 -7.759 -19.590 1.00 23.33 O ATOM 0 H ASP A 39 14.334 -10.425 -18.409 1.00 24.30 H new ATOM 0 HA ASP A 39 17.047 -11.042 -17.827 1.00 24.34 H new ATOM 0 HB2 ASP A 39 15.252 -8.659 -17.851 1.00 24.42 H new ATOM 0 HB3 ASP A 39 16.642 -8.546 -16.790 1.00 24.42 H new ATOM 657 N PHE A 40 16.666 -11.968 -15.496 1.00 70.03 N ATOM 658 CA PHE A 40 16.706 -12.336 -14.086 1.00 33.41 C ATOM 659 C PHE A 40 17.988 -11.835 -13.429 1.00 24.02 C ATOM 660 O PHE A 40 18.051 -11.669 -12.211 1.00 34.13 O ATOM 661 CB PHE A 40 16.600 -13.855 -13.930 1.00 54.14 C ATOM 662 CG PHE A 40 17.864 -14.584 -14.284 1.00 43.45 C ATOM 663 CD1 PHE A 40 18.831 -14.829 -13.322 1.00 53.13 C ATOM 664 CD2 PHE A 40 18.087 -15.024 -15.579 1.00 55.12 C ATOM 665 CE1 PHE A 40 19.996 -15.499 -13.646 1.00 14.52 C ATOM 666 CE2 PHE A 40 19.249 -15.694 -15.909 1.00 24.54 C ATOM 667 CZ PHE A 40 20.205 -15.933 -14.940 1.00 53.11 C ATOM 0 H PHE A 40 17.062 -12.666 -16.125 1.00 70.03 H new ATOM 0 HA PHE A 40 15.857 -11.866 -13.590 1.00 33.41 H new ATOM 0 HB2 PHE A 40 16.332 -14.088 -12.900 1.00 54.14 H new ATOM 0 HB3 PHE A 40 15.790 -14.221 -14.561 1.00 54.14 H new ATOM 0 HD1 PHE A 40 18.673 -14.493 -12.308 1.00 53.13 H new ATOM 0 HD2 PHE A 40 17.343 -14.841 -16.340 1.00 55.12 H new ATOM 0 HE1 PHE A 40 20.742 -15.683 -12.887 1.00 14.52 H new ATOM 0 HE2 PHE A 40 19.410 -16.031 -16.923 1.00 24.54 H new ATOM 0 HZ PHE A 40 21.114 -16.458 -15.194 1.00 53.11 H new ATOM 677 N SER A 41 19.010 -11.596 -14.245 1.00 30.22 N ATOM 678 CA SER A 41 20.293 -11.118 -13.744 1.00 22.14 C ATOM 679 C SER A 41 20.212 -9.643 -13.364 1.00 45.52 C ATOM 680 O SER A 41 21.072 -9.126 -12.651 1.00 54.02 O ATOM 681 CB SER A 41 21.385 -11.327 -14.795 1.00 21.15 C ATOM 682 OG SER A 41 22.334 -10.275 -14.760 1.00 71.14 O ATOM 0 H SER A 41 18.974 -11.726 -15.256 1.00 30.22 H new ATOM 0 HA SER A 41 20.543 -11.692 -12.852 1.00 22.14 H new ATOM 0 HB2 SER A 41 21.886 -12.279 -14.619 1.00 21.15 H new ATOM 0 HB3 SER A 41 20.935 -11.382 -15.786 1.00 21.15 H new ATOM 0 HG SER A 41 23.022 -10.433 -15.440 1.00 71.14 H new ATOM 688 N ASN A 42 19.173 -8.970 -13.847 1.00 52.11 N ATOM 689 CA ASN A 42 18.979 -7.553 -13.560 1.00 32.32 C ATOM 690 C ASN A 42 18.200 -7.363 -12.262 1.00 33.10 C ATOM 691 O ASN A 42 18.328 -6.337 -11.594 1.00 50.40 O ATOM 692 CB ASN A 42 18.241 -6.874 -14.715 1.00 52.30 C ATOM 693 CG ASN A 42 19.162 -6.027 -15.571 1.00 44.42 C ATOM 694 OD1 ASN A 42 20.147 -5.472 -15.082 1.00 73.11 O ATOM 695 ND2 ASN A 42 18.846 -5.923 -16.857 1.00 0.23 N ATOM 0 H ASN A 42 18.452 -9.383 -14.439 1.00 52.11 H new ATOM 0 HA ASN A 42 19.960 -7.093 -13.445 1.00 32.32 H new ATOM 0 HB2 ASN A 42 17.768 -7.634 -15.337 1.00 52.30 H new ATOM 0 HB3 ASN A 42 17.443 -6.248 -14.315 1.00 52.30 H new ATOM 0 HD21 ASN A 42 19.429 -5.366 -17.482 1.00 0.23 H new ATOM 0 HD22 ASN A 42 18.020 -6.400 -17.220 1.00 0.23 H new ATOM 702 N ILE A 43 17.393 -8.359 -11.911 1.00 40.03 N ATOM 703 CA ILE A 43 16.595 -8.302 -10.693 1.00 31.00 C ATOM 704 C ILE A 43 17.459 -7.954 -9.486 1.00 32.05 C ATOM 705 O ILE A 43 17.216 -6.976 -8.779 1.00 2.34 O ATOM 706 CB ILE A 43 15.876 -9.638 -10.428 1.00 22.12 C ATOM 707 CG1 ILE A 43 14.521 -9.663 -11.137 1.00 54.50 C ATOM 708 CG2 ILE A 43 15.702 -9.858 -8.933 1.00 32.14 C ATOM 709 CD1 ILE A 43 13.541 -8.641 -10.604 1.00 0.25 C ATOM 0 H ILE A 43 17.275 -9.215 -12.453 1.00 40.03 H new ATOM 0 HA ILE A 43 15.849 -7.521 -10.840 1.00 31.00 H new ATOM 0 HB ILE A 43 16.487 -10.448 -10.826 1.00 22.12 H new ATOM 0 HG12 ILE A 43 14.674 -9.487 -12.202 1.00 54.50 H new ATOM 0 HG13 ILE A 43 14.086 -10.658 -11.038 1.00 54.50 H new ATOM 0 HG21 ILE A 43 15.192 -10.806 -8.762 1.00 32.14 H new ATOM 0 HG22 ILE A 43 16.680 -9.880 -8.452 1.00 32.14 H new ATOM 0 HG23 ILE A 43 15.109 -9.046 -8.512 1.00 32.14 H new ATOM 0 HD11 ILE A 43 12.602 -8.716 -11.153 1.00 0.25 H new ATOM 0 HD12 ILE A 43 13.358 -8.829 -9.546 1.00 0.25 H new ATOM 0 HD13 ILE A 43 13.955 -7.640 -10.728 1.00 0.25 H new ATOM 721 N PRO A 44 18.494 -8.772 -9.243 1.00 34.21 N ATOM 722 CA PRO A 44 19.417 -8.570 -8.122 1.00 72.13 C ATOM 723 C PRO A 44 20.304 -7.345 -8.316 1.00 22.20 C ATOM 724 O PRO A 44 20.872 -6.819 -7.358 1.00 54.24 O ATOM 725 CB PRO A 44 20.261 -9.847 -8.123 1.00 74.21 C ATOM 726 CG PRO A 44 20.202 -10.339 -9.528 1.00 43.11 C ATOM 727 CD PRO A 44 18.842 -9.957 -10.044 1.00 64.42 C ATOM 0 HA PRO A 44 18.889 -8.393 -7.185 1.00 72.13 H new ATOM 0 HB2 PRO A 44 21.287 -9.643 -7.818 1.00 74.21 H new ATOM 0 HB3 PRO A 44 19.862 -10.586 -7.428 1.00 74.21 H new ATOM 0 HG2 PRO A 44 20.989 -9.889 -10.133 1.00 43.11 H new ATOM 0 HG3 PRO A 44 20.346 -11.419 -9.570 1.00 43.11 H new ATOM 0 HD2 PRO A 44 18.866 -9.729 -11.110 1.00 64.42 H new ATOM 0 HD3 PRO A 44 18.119 -10.761 -9.906 1.00 64.42 H new ATOM 735 N LYS A 45 20.420 -6.895 -9.561 1.00 31.13 N ATOM 736 CA LYS A 45 21.237 -5.731 -9.881 1.00 12.41 C ATOM 737 C LYS A 45 20.593 -4.452 -9.353 1.00 73.55 C ATOM 738 O LYS A 45 21.284 -3.492 -9.013 1.00 60.52 O ATOM 739 CB LYS A 45 21.440 -5.625 -11.394 1.00 42.00 C ATOM 740 CG LYS A 45 22.801 -5.078 -11.788 1.00 41.41 C ATOM 741 CD LYS A 45 22.674 -3.887 -12.723 1.00 53.14 C ATOM 742 CE LYS A 45 23.958 -3.651 -13.503 1.00 40.32 C ATOM 743 NZ LYS A 45 25.082 -3.248 -12.613 1.00 14.04 N ATOM 0 H LYS A 45 19.958 -7.319 -10.365 1.00 31.13 H new ATOM 0 HA LYS A 45 22.206 -5.855 -9.398 1.00 12.41 H new ATOM 0 HB2 LYS A 45 21.311 -6.611 -11.839 1.00 42.00 H new ATOM 0 HB3 LYS A 45 20.665 -4.983 -11.812 1.00 42.00 H new ATOM 0 HG2 LYS A 45 23.348 -4.782 -10.893 1.00 41.41 H new ATOM 0 HG3 LYS A 45 23.383 -5.862 -12.273 1.00 41.41 H new ATOM 0 HD2 LYS A 45 21.851 -4.055 -13.418 1.00 53.14 H new ATOM 0 HD3 LYS A 45 22.428 -2.995 -12.147 1.00 53.14 H new ATOM 0 HE2 LYS A 45 24.228 -4.560 -14.041 1.00 40.32 H new ATOM 0 HE3 LYS A 45 23.791 -2.876 -14.251 1.00 40.32 H new ATOM 0 HZ1 LYS A 45 25.939 -3.097 -13.183 1.00 14.04 H new ATOM 0 HZ2 LYS A 45 24.835 -2.367 -12.119 1.00 14.04 H new ATOM 0 HZ3 LYS A 45 25.258 -3.999 -11.915 1.00 14.04 H new ATOM 757 N SER A 46 19.265 -4.448 -9.287 1.00 42.12 N ATOM 758 CA SER A 46 18.528 -3.287 -8.803 1.00 50.31 C ATOM 759 C SER A 46 18.748 -3.089 -7.306 1.00 40.24 C ATOM 760 O SER A 46 19.151 -2.013 -6.864 1.00 72.40 O ATOM 761 CB SER A 46 17.034 -3.447 -9.094 1.00 5.23 C ATOM 762 OG SER A 46 16.811 -4.437 -10.082 1.00 34.41 O ATOM 0 H SER A 46 18.678 -5.235 -9.563 1.00 42.12 H new ATOM 0 HA SER A 46 18.901 -2.407 -9.327 1.00 50.31 H new ATOM 0 HB2 SER A 46 16.509 -3.718 -8.178 1.00 5.23 H new ATOM 0 HB3 SER A 46 16.621 -2.495 -9.429 1.00 5.23 H new ATOM 0 HG SER A 46 16.780 -5.320 -9.659 1.00 34.41 H new ATOM 768 N ALA A 47 18.480 -4.135 -6.532 1.00 22.11 N ATOM 769 CA ALA A 47 18.650 -4.078 -5.085 1.00 63.24 C ATOM 770 C ALA A 47 20.090 -3.740 -4.715 1.00 3.11 C ATOM 771 O ALA A 47 20.355 -3.209 -3.637 1.00 35.13 O ATOM 772 CB ALA A 47 18.237 -5.399 -4.453 1.00 51.11 C ATOM 0 H ALA A 47 18.144 -5.032 -6.882 1.00 22.11 H new ATOM 0 HA ALA A 47 18.008 -3.286 -4.699 1.00 63.24 H new ATOM 0 HB1 ALA A 47 18.369 -5.342 -3.373 1.00 51.11 H new ATOM 0 HB2 ALA A 47 17.190 -5.600 -4.681 1.00 51.11 H new ATOM 0 HB3 ALA A 47 18.856 -6.203 -4.853 1.00 51.11 H new ATOM 778 N GLU A 48 21.017 -4.052 -5.615 1.00 42.45 N ATOM 779 CA GLU A 48 22.431 -3.781 -5.381 1.00 32.32 C ATOM 780 C GLU A 48 22.729 -2.291 -5.514 1.00 42.23 C ATOM 781 O GLU A 48 23.568 -1.747 -4.795 1.00 61.45 O ATOM 782 CB GLU A 48 23.295 -4.576 -6.363 1.00 15.51 C ATOM 783 CG GLU A 48 24.768 -4.604 -5.993 1.00 11.54 C ATOM 784 CD GLU A 48 25.641 -3.913 -7.022 1.00 3.53 C ATOM 785 OE1 GLU A 48 25.862 -4.498 -8.102 1.00 44.12 O ATOM 786 OE2 GLU A 48 26.103 -2.785 -6.746 1.00 24.51 O ATOM 0 H GLU A 48 20.815 -4.492 -6.513 1.00 42.45 H new ATOM 0 HA GLU A 48 22.671 -4.092 -4.364 1.00 32.32 H new ATOM 0 HB2 GLU A 48 22.923 -5.599 -6.415 1.00 15.51 H new ATOM 0 HB3 GLU A 48 23.187 -4.146 -7.359 1.00 15.51 H new ATOM 0 HG2 GLU A 48 24.905 -4.123 -5.024 1.00 11.54 H new ATOM 0 HG3 GLU A 48 25.092 -5.639 -5.884 1.00 11.54 H new ATOM 793 N PHE A 49 22.037 -1.635 -6.440 1.00 34.30 N ATOM 794 CA PHE A 49 22.228 -0.208 -6.670 1.00 33.12 C ATOM 795 C PHE A 49 22.111 0.573 -5.364 1.00 40.55 C ATOM 796 O PHE A 49 22.732 1.624 -5.200 1.00 62.12 O ATOM 797 CB PHE A 49 21.202 0.309 -7.680 1.00 51.25 C ATOM 798 CG PHE A 49 21.810 1.114 -8.793 1.00 51.41 C ATOM 799 CD1 PHE A 49 22.155 2.442 -8.597 1.00 21.23 C ATOM 800 CD2 PHE A 49 22.037 0.544 -10.035 1.00 73.21 C ATOM 801 CE1 PHE A 49 22.714 3.185 -9.619 1.00 51.11 C ATOM 802 CE2 PHE A 49 22.596 1.282 -11.061 1.00 53.13 C ATOM 803 CZ PHE A 49 22.936 2.604 -10.852 1.00 53.35 C ATOM 0 H PHE A 49 21.339 -2.069 -7.043 1.00 34.30 H new ATOM 0 HA PHE A 49 23.230 -0.061 -7.073 1.00 33.12 H new ATOM 0 HB2 PHE A 49 20.665 -0.538 -8.106 1.00 51.25 H new ATOM 0 HB3 PHE A 49 20.467 0.922 -7.158 1.00 51.25 H new ATOM 0 HD1 PHE A 49 21.985 2.901 -7.634 1.00 21.23 H new ATOM 0 HD2 PHE A 49 21.774 -0.490 -10.204 1.00 73.21 H new ATOM 0 HE1 PHE A 49 22.977 4.219 -9.454 1.00 51.11 H new ATOM 0 HE2 PHE A 49 22.767 0.826 -12.025 1.00 53.13 H new ATOM 0 HZ PHE A 49 23.375 3.183 -11.651 1.00 53.35 H new ATOM 813 N ILE A 50 21.311 0.053 -4.440 1.00 53.41 N ATOM 814 CA ILE A 50 21.113 0.701 -3.150 1.00 12.44 C ATOM 815 C ILE A 50 22.375 0.625 -2.297 1.00 13.31 C ATOM 816 O ILE A 50 23.004 1.644 -2.011 1.00 60.51 O ATOM 817 CB ILE A 50 19.944 0.066 -2.374 1.00 54.11 C ATOM 818 CG1 ILE A 50 18.702 -0.023 -3.263 1.00 71.55 C ATOM 819 CG2 ILE A 50 19.644 0.868 -1.116 1.00 43.24 C ATOM 820 CD1 ILE A 50 18.098 1.323 -3.595 1.00 14.00 C ATOM 0 H ILE A 50 20.789 -0.815 -4.561 1.00 53.41 H new ATOM 0 HA ILE A 50 20.878 1.745 -3.355 1.00 12.44 H new ATOM 0 HB ILE A 50 20.230 -0.943 -2.078 1.00 54.11 H new ATOM 0 HG12 ILE A 50 18.965 -0.533 -4.190 1.00 71.55 H new ATOM 0 HG13 ILE A 50 17.951 -0.636 -2.764 1.00 71.55 H new ATOM 0 HG21 ILE A 50 18.815 0.406 -0.579 1.00 43.24 H new ATOM 0 HG22 ILE A 50 20.526 0.885 -0.476 1.00 43.24 H new ATOM 0 HG23 ILE A 50 19.375 1.888 -1.390 1.00 43.24 H new ATOM 0 HD11 ILE A 50 17.222 1.182 -4.228 1.00 14.00 H new ATOM 0 HD12 ILE A 50 17.804 1.827 -2.674 1.00 14.00 H new ATOM 0 HD13 ILE A 50 18.833 1.931 -4.122 1.00 14.00 H new ATOM 832 N GLN A 51 22.739 -0.588 -1.896 1.00 32.34 N ATOM 833 CA GLN A 51 23.927 -0.797 -1.076 1.00 51.04 C ATOM 834 C GLN A 51 24.533 -2.172 -1.336 1.00 74.33 C ATOM 835 O GLN A 51 23.832 -3.184 -1.316 1.00 33.14 O ATOM 836 CB GLN A 51 23.582 -0.651 0.407 1.00 53.44 C ATOM 837 CG GLN A 51 24.679 0.012 1.224 1.00 20.41 C ATOM 838 CD GLN A 51 24.155 1.121 2.115 1.00 73.32 C ATOM 839 OE1 GLN A 51 23.304 1.911 1.706 1.00 52.23 O ATOM 840 NE2 GLN A 51 24.661 1.185 3.341 1.00 73.12 N ATOM 0 H GLN A 51 22.229 -1.441 -2.125 1.00 32.34 H new ATOM 0 HA GLN A 51 24.662 -0.039 -1.347 1.00 51.04 H new ATOM 0 HB2 GLN A 51 22.666 -0.068 0.503 1.00 53.44 H new ATOM 0 HB3 GLN A 51 23.377 -1.637 0.823 1.00 53.44 H new ATOM 0 HG2 GLN A 51 25.173 -0.740 1.839 1.00 20.41 H new ATOM 0 HG3 GLN A 51 25.433 0.418 0.550 1.00 20.41 H new ATOM 0 HE21 GLN A 51 25.365 0.509 3.638 1.00 73.12 H new ATOM 0 HE22 GLN A 51 24.346 1.910 3.986 1.00 73.12 H new ATOM 849 N SER A 52 25.839 -2.202 -1.581 1.00 53.43 N ATOM 850 CA SER A 52 26.538 -3.453 -1.850 1.00 2.44 C ATOM 851 C SER A 52 26.229 -4.489 -0.774 1.00 22.42 C ATOM 852 O SER A 52 26.206 -5.691 -1.041 1.00 35.01 O ATOM 853 CB SER A 52 28.047 -3.212 -1.923 1.00 43.04 C ATOM 854 OG SER A 52 28.516 -2.553 -0.760 1.00 22.02 O ATOM 0 H SER A 52 26.434 -1.374 -1.599 1.00 53.43 H new ATOM 0 HA SER A 52 26.191 -3.836 -2.810 1.00 2.44 H new ATOM 0 HB2 SER A 52 28.565 -4.164 -2.039 1.00 43.04 H new ATOM 0 HB3 SER A 52 28.280 -2.613 -2.803 1.00 43.04 H new ATOM 0 HG SER A 52 29.483 -2.413 -0.831 1.00 22.02 H new ATOM 860 N LYS A 53 25.993 -4.016 0.445 1.00 54.41 N ATOM 861 CA LYS A 53 25.683 -4.899 1.563 1.00 5.20 C ATOM 862 C LYS A 53 24.422 -4.439 2.287 1.00 5.44 C ATOM 863 O LYS A 53 24.390 -3.356 2.870 1.00 51.40 O ATOM 864 CB LYS A 53 26.858 -4.946 2.542 1.00 25.13 C ATOM 865 CG LYS A 53 27.795 -6.120 2.313 1.00 40.45 C ATOM 866 CD LYS A 53 29.128 -5.666 1.741 1.00 53.23 C ATOM 867 CE LYS A 53 30.281 -6.488 2.295 1.00 70.22 C ATOM 868 NZ LYS A 53 31.005 -5.768 3.379 1.00 61.32 N ATOM 0 H LYS A 53 26.011 -3.025 0.684 1.00 54.41 H new ATOM 0 HA LYS A 53 25.508 -5.899 1.166 1.00 5.20 H new ATOM 0 HB2 LYS A 53 27.425 -4.019 2.461 1.00 25.13 H new ATOM 0 HB3 LYS A 53 26.470 -4.995 3.560 1.00 25.13 H new ATOM 0 HG2 LYS A 53 27.961 -6.643 3.255 1.00 40.45 H new ATOM 0 HG3 LYS A 53 27.329 -6.831 1.631 1.00 40.45 H new ATOM 0 HD2 LYS A 53 29.107 -5.752 0.655 1.00 53.23 H new ATOM 0 HD3 LYS A 53 29.285 -4.613 1.974 1.00 53.23 H new ATOM 0 HE2 LYS A 53 29.901 -7.435 2.679 1.00 70.22 H new ATOM 0 HE3 LYS A 53 30.976 -6.727 1.490 1.00 70.22 H new ATOM 0 HZ1 LYS A 53 31.784 -6.361 3.730 1.00 61.32 H new ATOM 0 HZ2 LYS A 53 31.390 -4.877 3.007 1.00 61.32 H new ATOM 0 HZ3 LYS A 53 30.348 -5.562 4.158 1.00 61.32 H new ATOM 882 N GLY A 54 23.386 -5.270 2.248 1.00 74.22 N ATOM 883 CA GLY A 54 22.137 -4.931 2.905 1.00 2.05 C ATOM 884 C GLY A 54 20.934 -5.542 2.216 1.00 72.33 C ATOM 885 O GLY A 54 20.037 -6.074 2.871 1.00 22.31 O ATOM 0 H GLY A 54 23.389 -6.173 1.773 1.00 74.22 H new ATOM 0 HA2 GLY A 54 22.171 -5.272 3.940 1.00 2.05 H new ATOM 0 HA3 GLY A 54 22.026 -3.847 2.930 1.00 2.05 H new ATOM 889 N HIS A 55 20.912 -5.465 0.889 1.00 73.42 N ATOM 890 CA HIS A 55 19.808 -6.015 0.109 1.00 0.24 C ATOM 891 C HIS A 55 19.862 -7.539 0.091 1.00 62.52 C ATOM 892 O HIS A 55 20.820 -8.129 -0.409 1.00 34.11 O ATOM 893 CB HIS A 55 19.847 -5.474 -1.320 1.00 74.12 C ATOM 894 CG HIS A 55 21.043 -5.926 -2.099 1.00 61.05 C ATOM 895 ND1 HIS A 55 22.314 -5.439 -1.877 1.00 52.25 N ATOM 896 CD2 HIS A 55 21.157 -6.828 -3.103 1.00 3.53 C ATOM 897 CE1 HIS A 55 23.158 -6.020 -2.712 1.00 14.34 C ATOM 898 NE2 HIS A 55 22.481 -6.867 -3.466 1.00 21.24 N ATOM 0 H HIS A 55 21.645 -5.027 0.331 1.00 73.42 H new ATOM 0 HA HIS A 55 18.874 -5.708 0.580 1.00 0.24 H new ATOM 0 HB2 HIS A 55 18.943 -5.787 -1.843 1.00 74.12 H new ATOM 0 HB3 HIS A 55 19.835 -4.385 -1.288 1.00 74.12 H new ATOM 0 HD1 HIS A 55 22.564 -4.740 -1.178 1.00 52.25 H new ATOM 0 HD2 HIS A 55 20.356 -7.408 -3.537 1.00 3.53 H new ATOM 0 HE1 HIS A 55 24.220 -5.834 -2.768 1.00 14.34 H new ATOM 906 N GLU A 56 18.829 -8.170 0.639 1.00 34.44 N ATOM 907 CA GLU A 56 18.761 -9.626 0.687 1.00 73.24 C ATOM 908 C GLU A 56 17.398 -10.123 0.212 1.00 62.01 C ATOM 909 O GLU A 56 16.365 -9.784 0.790 1.00 11.23 O ATOM 910 CB GLU A 56 19.031 -10.126 2.107 1.00 3.24 C ATOM 911 CG GLU A 56 20.035 -11.265 2.171 1.00 35.22 C ATOM 912 CD GLU A 56 19.370 -12.621 2.310 1.00 55.10 C ATOM 913 OE1 GLU A 56 19.093 -13.032 3.456 1.00 22.30 O ATOM 914 OE2 GLU A 56 19.125 -13.270 1.271 1.00 24.34 O ATOM 0 H GLU A 56 18.028 -7.696 1.056 1.00 34.44 H new ATOM 0 HA GLU A 56 19.526 -10.021 0.019 1.00 73.24 H new ATOM 0 HB2 GLU A 56 19.397 -9.296 2.712 1.00 3.24 H new ATOM 0 HB3 GLU A 56 18.092 -10.455 2.552 1.00 3.24 H new ATOM 0 HG2 GLU A 56 20.648 -11.256 1.270 1.00 35.22 H new ATOM 0 HG3 GLU A 56 20.707 -11.106 3.015 1.00 35.22 H new ATOM 921 N LEU A 57 17.404 -10.928 -0.845 1.00 0.02 N ATOM 922 CA LEU A 57 16.169 -11.472 -1.399 1.00 21.10 C ATOM 923 C LEU A 57 15.656 -12.631 -0.551 1.00 20.42 C ATOM 924 O LEU A 57 16.203 -13.734 -0.592 1.00 75.51 O ATOM 925 CB LEU A 57 16.395 -11.939 -2.838 1.00 50.10 C ATOM 926 CG LEU A 57 16.689 -10.841 -3.861 1.00 74.44 C ATOM 927 CD1 LEU A 57 15.690 -9.703 -3.725 1.00 14.13 C ATOM 928 CD2 LEU A 57 18.112 -10.327 -3.699 1.00 35.24 C ATOM 0 H LEU A 57 18.250 -11.218 -1.335 1.00 0.02 H new ATOM 0 HA LEU A 57 15.418 -10.682 -1.393 1.00 21.10 H new ATOM 0 HB2 LEU A 57 17.225 -12.645 -2.844 1.00 50.10 H new ATOM 0 HB3 LEU A 57 15.510 -12.485 -3.165 1.00 50.10 H new ATOM 0 HG LEU A 57 16.590 -11.266 -4.860 1.00 74.44 H new ATOM 0 HD11 LEU A 57 15.915 -8.931 -4.461 1.00 14.13 H new ATOM 0 HD12 LEU A 57 14.682 -10.082 -3.893 1.00 14.13 H new ATOM 0 HD13 LEU A 57 15.756 -9.279 -2.723 1.00 14.13 H new ATOM 0 HD21 LEU A 57 18.303 -9.546 -4.435 1.00 35.24 H new ATOM 0 HD22 LEU A 57 18.240 -9.919 -2.696 1.00 35.24 H new ATOM 0 HD23 LEU A 57 18.814 -11.147 -3.849 1.00 35.24 H new ATOM 940 N LEU A 58 14.602 -12.375 0.216 1.00 20.21 N ATOM 941 CA LEU A 58 14.013 -13.398 1.073 1.00 34.20 C ATOM 942 C LEU A 58 13.720 -14.669 0.282 1.00 50.13 C ATOM 943 O LEU A 58 14.042 -15.772 0.720 1.00 62.54 O ATOM 944 CB LEU A 58 12.726 -12.875 1.714 1.00 71.20 C ATOM 945 CG LEU A 58 12.716 -12.809 3.242 1.00 73.44 C ATOM 946 CD1 LEU A 58 11.997 -11.557 3.717 1.00 14.41 C ATOM 947 CD2 LEU A 58 12.064 -14.055 3.825 1.00 53.43 C ATOM 0 H LEU A 58 14.138 -11.468 0.262 1.00 20.21 H new ATOM 0 HA LEU A 58 14.731 -13.638 1.857 1.00 34.20 H new ATOM 0 HB2 LEU A 58 12.531 -11.875 1.326 1.00 71.20 H new ATOM 0 HB3 LEU A 58 11.900 -13.509 1.392 1.00 71.20 H new ATOM 0 HG LEU A 58 13.747 -12.765 3.592 1.00 73.44 H new ATOM 0 HD11 LEU A 58 12.000 -11.527 4.807 1.00 14.41 H new ATOM 0 HD12 LEU A 58 12.507 -10.675 3.328 1.00 14.41 H new ATOM 0 HD13 LEU A 58 10.968 -11.570 3.357 1.00 14.41 H new ATOM 0 HD21 LEU A 58 12.065 -13.991 4.913 1.00 53.43 H new ATOM 0 HD22 LEU A 58 11.037 -14.130 3.467 1.00 53.43 H new ATOM 0 HD23 LEU A 58 12.622 -14.938 3.513 1.00 53.43 H new ATOM 959 N ASN A 59 13.109 -14.505 -0.887 1.00 51.41 N ATOM 960 CA ASN A 59 12.774 -15.639 -1.741 1.00 4.32 C ATOM 961 C ASN A 59 13.386 -15.474 -3.129 1.00 23.04 C ATOM 962 O ASN A 59 13.078 -14.522 -3.845 1.00 72.04 O ATOM 963 CB ASN A 59 11.256 -15.787 -1.855 1.00 71.21 C ATOM 964 CG ASN A 59 10.835 -17.214 -2.148 1.00 30.54 C ATOM 965 OD1 ASN A 59 11.120 -17.750 -3.218 1.00 64.55 O ATOM 966 ND2 ASN A 59 10.152 -17.837 -1.194 1.00 0.01 N ATOM 0 H ASN A 59 12.836 -13.598 -1.265 1.00 51.41 H new ATOM 0 HA ASN A 59 13.187 -16.539 -1.286 1.00 4.32 H new ATOM 0 HB2 ASN A 59 10.791 -15.457 -0.926 1.00 71.21 H new ATOM 0 HB3 ASN A 59 10.888 -15.133 -2.646 1.00 71.21 H new ATOM 0 HD21 ASN A 59 9.842 -18.799 -1.334 1.00 0.01 H new ATOM 0 HD22 ASN A 59 9.938 -17.354 -0.322 1.00 0.01 H new ATOM 973 N SER A 60 14.255 -16.409 -3.501 1.00 51.31 N ATOM 974 CA SER A 60 14.913 -16.366 -4.802 1.00 11.03 C ATOM 975 C SER A 60 13.893 -16.173 -5.920 1.00 64.23 C ATOM 976 O SER A 60 12.966 -16.969 -6.075 1.00 64.34 O ATOM 977 CB SER A 60 15.708 -17.652 -5.037 1.00 42.40 C ATOM 978 OG SER A 60 15.062 -18.484 -5.984 1.00 65.54 O ATOM 0 H SER A 60 14.520 -17.205 -2.920 1.00 51.31 H new ATOM 0 HA SER A 60 15.598 -15.518 -4.808 1.00 11.03 H new ATOM 0 HB2 SER A 60 16.710 -17.405 -5.389 1.00 42.40 H new ATOM 0 HB3 SER A 60 15.824 -18.189 -4.096 1.00 42.40 H new ATOM 0 HG SER A 60 14.092 -18.356 -5.924 1.00 65.54 H new ATOM 984 N LEU A 61 14.071 -15.111 -6.698 1.00 4.25 N ATOM 985 CA LEU A 61 13.168 -14.812 -7.803 1.00 12.50 C ATOM 986 C LEU A 61 13.030 -16.012 -8.734 1.00 44.32 C ATOM 987 O LEU A 61 14.025 -16.549 -9.222 1.00 2.24 O ATOM 988 CB LEU A 61 13.673 -13.599 -8.587 1.00 1.24 C ATOM 989 CG LEU A 61 15.132 -13.654 -9.042 1.00 73.20 C ATOM 990 CD1 LEU A 61 15.276 -13.077 -10.442 1.00 21.43 C ATOM 991 CD2 LEU A 61 16.025 -12.909 -8.061 1.00 43.13 C ATOM 0 H LEU A 61 14.833 -14.443 -6.584 1.00 4.25 H new ATOM 0 HA LEU A 61 12.187 -14.585 -7.386 1.00 12.50 H new ATOM 0 HB2 LEU A 61 13.043 -13.473 -9.468 1.00 1.24 H new ATOM 0 HB3 LEU A 61 13.539 -12.711 -7.969 1.00 1.24 H new ATOM 0 HG LEU A 61 15.446 -14.697 -9.067 1.00 73.20 H new ATOM 0 HD11 LEU A 61 16.321 -13.124 -10.749 1.00 21.43 H new ATOM 0 HD12 LEU A 61 14.667 -13.654 -11.138 1.00 21.43 H new ATOM 0 HD13 LEU A 61 14.944 -12.039 -10.444 1.00 21.43 H new ATOM 0 HD21 LEU A 61 17.060 -12.959 -8.401 1.00 43.13 H new ATOM 0 HD22 LEU A 61 15.712 -11.867 -8.003 1.00 43.13 H new ATOM 0 HD23 LEU A 61 15.944 -13.367 -7.075 1.00 43.13 H new ATOM 1003 N ARG A 62 11.791 -16.426 -8.978 1.00 44.14 N ATOM 1004 CA ARG A 62 11.524 -17.562 -9.852 1.00 51.11 C ATOM 1005 C ARG A 62 11.398 -17.113 -11.305 1.00 10.51 C ATOM 1006 O ARG A 62 10.305 -17.106 -11.871 1.00 72.43 O ATOM 1007 CB ARG A 62 10.244 -18.278 -9.416 1.00 3.21 C ATOM 1008 CG ARG A 62 10.228 -19.759 -9.758 1.00 1.31 C ATOM 1009 CD ARG A 62 9.762 -20.598 -8.578 1.00 44.23 C ATOM 1010 NE ARG A 62 9.230 -21.890 -9.002 1.00 63.21 N ATOM 1011 CZ ARG A 62 9.992 -22.934 -9.309 1.00 45.11 C ATOM 1012 NH1 ARG A 62 11.313 -22.838 -9.239 1.00 40.02 N ATOM 1013 NH2 ARG A 62 9.434 -24.077 -9.686 1.00 51.24 N ATOM 0 H ARG A 62 10.957 -15.992 -8.583 1.00 44.14 H new ATOM 0 HA ARG A 62 12.364 -18.253 -9.775 1.00 51.11 H new ATOM 0 HB2 ARG A 62 10.121 -18.161 -8.339 1.00 3.21 H new ATOM 0 HB3 ARG A 62 9.389 -17.795 -9.889 1.00 3.21 H new ATOM 0 HG2 ARG A 62 9.570 -19.930 -10.610 1.00 1.31 H new ATOM 0 HG3 ARG A 62 11.227 -20.075 -10.059 1.00 1.31 H new ATOM 0 HD2 ARG A 62 10.596 -20.756 -7.894 1.00 44.23 H new ATOM 0 HD3 ARG A 62 8.996 -20.054 -8.026 1.00 44.23 H new ATOM 0 HE ARG A 62 8.218 -21.997 -9.066 1.00 63.21 H new ATOM 0 HH11 ARG A 62 11.746 -21.961 -8.949 1.00 40.02 H new ATOM 0 HH12 ARG A 62 11.896 -23.641 -9.475 1.00 40.02 H new ATOM 0 HH21 ARG A 62 8.418 -24.155 -9.741 1.00 51.24 H new ATOM 0 HH22 ARG A 62 10.021 -24.878 -9.921 1.00 51.24 H new ATOM 1027 N PHE A 63 12.524 -16.737 -11.902 1.00 50.52 N ATOM 1028 CA PHE A 63 12.540 -16.284 -13.288 1.00 72.04 C ATOM 1029 C PHE A 63 12.273 -17.445 -14.242 1.00 43.35 C ATOM 1030 O PHE A 63 11.832 -18.515 -13.827 1.00 24.15 O ATOM 1031 CB PHE A 63 13.885 -15.635 -13.620 1.00 22.10 C ATOM 1032 CG PHE A 63 15.017 -16.618 -13.715 1.00 4.52 C ATOM 1033 CD1 PHE A 63 15.613 -17.121 -12.569 1.00 74.35 C ATOM 1034 CD2 PHE A 63 15.486 -17.038 -14.949 1.00 41.41 C ATOM 1035 CE1 PHE A 63 16.655 -18.025 -12.654 1.00 41.21 C ATOM 1036 CE2 PHE A 63 16.528 -17.941 -15.040 1.00 21.31 C ATOM 1037 CZ PHE A 63 17.113 -18.436 -13.891 1.00 34.23 C ATOM 0 H PHE A 63 13.437 -16.737 -11.448 1.00 50.52 H new ATOM 0 HA PHE A 63 11.748 -15.545 -13.412 1.00 72.04 H new ATOM 0 HB2 PHE A 63 13.798 -15.101 -14.566 1.00 22.10 H new ATOM 0 HB3 PHE A 63 14.121 -14.894 -12.856 1.00 22.10 H new ATOM 0 HD1 PHE A 63 15.259 -16.803 -11.599 1.00 74.35 H new ATOM 0 HD2 PHE A 63 15.032 -16.655 -15.851 1.00 41.41 H new ATOM 0 HE1 PHE A 63 17.111 -18.410 -11.754 1.00 41.21 H new ATOM 0 HE2 PHE A 63 16.885 -18.259 -16.008 1.00 21.31 H new ATOM 0 HZ PHE A 63 17.927 -19.143 -13.959 1.00 34.23 H new ATOM 1047 N ASN A 64 12.544 -17.223 -15.525 1.00 1.03 N ATOM 1048 CA ASN A 64 12.333 -18.249 -16.539 1.00 72.31 C ATOM 1049 C ASN A 64 10.847 -18.413 -16.846 1.00 43.13 C ATOM 1050 O ASN A 64 10.433 -18.349 -18.003 1.00 54.41 O ATOM 1051 CB ASN A 64 12.919 -19.584 -16.074 1.00 12.12 C ATOM 1052 CG ASN A 64 13.900 -20.165 -17.074 1.00 54.31 C ATOM 1053 OD1 ASN A 64 14.835 -19.491 -17.506 1.00 50.01 O ATOM 1054 ND2 ASN A 64 13.689 -21.422 -17.447 1.00 41.33 N ATOM 0 H ASN A 64 12.910 -16.342 -15.886 1.00 1.03 H new ATOM 0 HA ASN A 64 12.842 -17.934 -17.450 1.00 72.31 H new ATOM 0 HB2 ASN A 64 13.421 -19.444 -15.117 1.00 12.12 H new ATOM 0 HB3 ASN A 64 12.110 -20.295 -15.908 1.00 12.12 H new ATOM 0 HD21 ASN A 64 14.315 -21.867 -18.118 1.00 41.33 H new ATOM 0 HD22 ASN A 64 12.901 -21.943 -17.062 1.00 41.33 H new ATOM 1061 N GLN A 65 10.052 -18.624 -15.802 1.00 45.21 N ATOM 1062 CA GLN A 65 8.613 -18.796 -15.961 1.00 24.52 C ATOM 1063 C GLN A 65 7.921 -17.451 -16.148 1.00 50.44 C ATOM 1064 O GLN A 65 8.576 -16.426 -16.338 1.00 74.04 O ATOM 1065 CB GLN A 65 8.028 -19.520 -14.747 1.00 2.45 C ATOM 1066 CG GLN A 65 7.528 -20.921 -15.056 1.00 74.20 C ATOM 1067 CD GLN A 65 6.092 -20.934 -15.542 1.00 33.10 C ATOM 1068 OE1 GLN A 65 5.268 -20.131 -15.103 1.00 3.32 O ATOM 1069 NE2 GLN A 65 5.783 -21.849 -16.454 1.00 2.31 N ATOM 0 H GLN A 65 10.380 -18.680 -14.838 1.00 45.21 H new ATOM 0 HA GLN A 65 8.441 -19.399 -16.853 1.00 24.52 H new ATOM 0 HB2 GLN A 65 8.788 -19.578 -13.968 1.00 2.45 H new ATOM 0 HB3 GLN A 65 7.204 -18.930 -14.345 1.00 2.45 H new ATOM 0 HG2 GLN A 65 8.168 -21.372 -15.814 1.00 74.20 H new ATOM 0 HG3 GLN A 65 7.610 -21.538 -14.161 1.00 74.20 H new ATOM 0 HE21 GLN A 65 6.497 -22.495 -16.790 1.00 2.31 H new ATOM 0 HE22 GLN A 65 4.832 -21.905 -16.818 1.00 2.31 H new ATOM 1078 N ALA A 66 6.593 -17.461 -16.094 1.00 21.20 N ATOM 1079 CA ALA A 66 5.812 -16.241 -16.256 1.00 62.22 C ATOM 1080 C ALA A 66 6.245 -15.175 -15.256 1.00 22.14 C ATOM 1081 O ALA A 66 7.017 -15.450 -14.336 1.00 52.34 O ATOM 1082 CB ALA A 66 4.328 -16.540 -16.103 1.00 22.12 C ATOM 0 H ALA A 66 6.035 -18.301 -15.939 1.00 21.20 H new ATOM 0 HA ALA A 66 5.992 -15.855 -17.259 1.00 62.22 H new ATOM 0 HB1 ALA A 66 3.757 -15.620 -16.226 1.00 22.12 H new ATOM 0 HB2 ALA A 66 4.022 -17.261 -16.861 1.00 22.12 H new ATOM 0 HB3 ALA A 66 4.140 -16.953 -15.112 1.00 22.12 H new ATOM 1088 N ASP A 67 5.745 -13.959 -15.441 1.00 14.43 N ATOM 1089 CA ASP A 67 6.080 -12.851 -14.553 1.00 54.25 C ATOM 1090 C ASP A 67 5.985 -13.277 -13.092 1.00 33.21 C ATOM 1091 O ASP A 67 4.918 -13.668 -12.617 1.00 63.34 O ATOM 1092 CB ASP A 67 5.151 -11.663 -14.813 1.00 22.25 C ATOM 1093 CG ASP A 67 3.691 -12.015 -14.609 1.00 13.15 C ATOM 1094 OD1 ASP A 67 3.218 -11.942 -13.455 1.00 21.34 O ATOM 1095 OD2 ASP A 67 3.020 -12.362 -15.603 1.00 10.11 O ATOM 0 H ASP A 67 5.106 -13.715 -16.198 1.00 14.43 H new ATOM 0 HA ASP A 67 7.108 -12.551 -14.758 1.00 54.25 H new ATOM 0 HB2 ASP A 67 5.420 -10.842 -14.148 1.00 22.25 H new ATOM 0 HB3 ASP A 67 5.297 -11.308 -15.833 1.00 22.25 H new ATOM 1100 N TRP A 68 7.106 -13.200 -12.385 1.00 1.13 N ATOM 1101 CA TRP A 68 7.149 -13.579 -10.977 1.00 24.20 C ATOM 1102 C TRP A 68 7.364 -12.357 -10.090 1.00 64.54 C ATOM 1103 O TRP A 68 7.430 -11.228 -10.577 1.00 22.01 O ATOM 1104 CB TRP A 68 8.262 -14.601 -10.737 1.00 32.12 C ATOM 1105 CG TRP A 68 7.879 -15.679 -9.768 1.00 62.14 C ATOM 1106 CD1 TRP A 68 8.381 -15.868 -8.512 1.00 73.02 C ATOM 1107 CD2 TRP A 68 6.916 -16.717 -9.978 1.00 73.12 C ATOM 1108 NE1 TRP A 68 7.787 -16.961 -7.928 1.00 71.15 N ATOM 1109 CE2 TRP A 68 6.884 -17.499 -8.807 1.00 11.12 C ATOM 1110 CE3 TRP A 68 6.075 -17.061 -11.040 1.00 43.04 C ATOM 1111 CZ2 TRP A 68 6.046 -18.602 -8.671 1.00 73.44 C ATOM 1112 CZ3 TRP A 68 5.244 -18.157 -10.904 1.00 43.44 C ATOM 1113 CH2 TRP A 68 5.234 -18.916 -9.727 1.00 73.41 C ATOM 0 H TRP A 68 7.997 -12.879 -12.763 1.00 1.13 H new ATOM 0 HA TRP A 68 6.190 -14.028 -10.718 1.00 24.20 H new ATOM 0 HB2 TRP A 68 8.537 -15.058 -11.688 1.00 32.12 H new ATOM 0 HB3 TRP A 68 9.146 -14.084 -10.364 1.00 32.12 H new ATOM 0 HD1 TRP A 68 9.134 -15.250 -8.046 1.00 73.02 H new ATOM 0 HE1 TRP A 68 7.986 -17.314 -6.992 1.00 71.15 H new ATOM 0 HE3 TRP A 68 6.074 -16.481 -11.951 1.00 43.04 H new ATOM 0 HZ2 TRP A 68 6.037 -19.189 -7.765 1.00 73.44 H new ATOM 0 HZ3 TRP A 68 4.591 -18.433 -11.719 1.00 43.44 H new ATOM 0 HH2 TRP A 68 4.572 -19.766 -9.651 1.00 73.41 H new ATOM 1124 N THR A 69 7.474 -12.590 -8.786 1.00 13.20 N ATOM 1125 CA THR A 69 7.680 -11.508 -7.832 1.00 5.04 C ATOM 1126 C THR A 69 8.901 -11.772 -6.957 1.00 51.12 C ATOM 1127 O THR A 69 9.174 -12.913 -6.585 1.00 20.41 O ATOM 1128 CB THR A 69 6.448 -11.313 -6.928 1.00 43.42 C ATOM 1129 OG1 THR A 69 6.556 -12.142 -5.766 1.00 63.42 O ATOM 1130 CG2 THR A 69 5.168 -11.647 -7.679 1.00 42.01 C ATOM 0 H THR A 69 7.424 -13.518 -8.367 1.00 13.20 H new ATOM 0 HA THR A 69 7.842 -10.601 -8.414 1.00 5.04 H new ATOM 0 HB THR A 69 6.410 -10.267 -6.624 1.00 43.42 H new ATOM 0 HG1 THR A 69 5.770 -12.011 -5.196 1.00 63.42 H new ATOM 0 HG21 THR A 69 4.311 -11.502 -7.021 1.00 42.01 H new ATOM 0 HG22 THR A 69 5.074 -10.993 -8.546 1.00 42.01 H new ATOM 0 HG23 THR A 69 5.200 -12.685 -8.009 1.00 42.01 H new ATOM 1138 N ILE A 70 9.631 -10.710 -6.632 1.00 72.32 N ATOM 1139 CA ILE A 70 10.821 -10.828 -5.800 1.00 23.25 C ATOM 1140 C ILE A 70 10.768 -9.858 -4.624 1.00 63.31 C ATOM 1141 O ILE A 70 10.651 -8.647 -4.809 1.00 45.15 O ATOM 1142 CB ILE A 70 12.104 -10.565 -6.610 1.00 51.25 C ATOM 1143 CG1 ILE A 70 13.328 -10.588 -5.692 1.00 73.24 C ATOM 1144 CG2 ILE A 70 12.006 -9.232 -7.338 1.00 62.31 C ATOM 1145 CD1 ILE A 70 13.485 -11.884 -4.928 1.00 62.24 C ATOM 0 H ILE A 70 9.419 -9.759 -6.932 1.00 72.32 H new ATOM 0 HA ILE A 70 10.842 -11.851 -5.424 1.00 23.25 H new ATOM 0 HB ILE A 70 12.216 -11.356 -7.352 1.00 51.25 H new ATOM 0 HG12 ILE A 70 14.224 -10.417 -6.289 1.00 73.24 H new ATOM 0 HG13 ILE A 70 13.256 -9.764 -4.983 1.00 73.24 H new ATOM 0 HG21 ILE A 70 12.920 -9.060 -7.906 1.00 62.31 H new ATOM 0 HG22 ILE A 70 11.154 -9.250 -8.018 1.00 62.31 H new ATOM 0 HG23 ILE A 70 11.873 -8.430 -6.612 1.00 62.31 H new ATOM 0 HD11 ILE A 70 14.373 -11.830 -4.298 1.00 62.24 H new ATOM 0 HD12 ILE A 70 12.606 -12.047 -4.304 1.00 62.24 H new ATOM 0 HD13 ILE A 70 13.589 -12.710 -5.631 1.00 62.24 H new ATOM 1157 N VAL A 71 10.857 -10.399 -3.413 1.00 72.20 N ATOM 1158 CA VAL A 71 10.822 -9.582 -2.206 1.00 40.22 C ATOM 1159 C VAL A 71 12.228 -9.179 -1.775 1.00 14.32 C ATOM 1160 O VAL A 71 13.139 -10.005 -1.741 1.00 24.20 O ATOM 1161 CB VAL A 71 10.134 -10.324 -1.045 1.00 54.03 C ATOM 1162 CG1 VAL A 71 8.668 -10.573 -1.365 1.00 74.13 C ATOM 1163 CG2 VAL A 71 10.853 -11.631 -0.748 1.00 74.23 C ATOM 0 H VAL A 71 10.954 -11.400 -3.242 1.00 72.20 H new ATOM 0 HA VAL A 71 10.248 -8.687 -2.446 1.00 40.22 H new ATOM 0 HB VAL A 71 10.185 -9.697 -0.155 1.00 54.03 H new ATOM 0 HG11 VAL A 71 8.198 -11.098 -0.533 1.00 74.13 H new ATOM 0 HG12 VAL A 71 8.163 -9.620 -1.524 1.00 74.13 H new ATOM 0 HG13 VAL A 71 8.590 -11.179 -2.267 1.00 74.13 H new ATOM 0 HG21 VAL A 71 10.354 -12.142 0.075 1.00 74.23 H new ATOM 0 HG22 VAL A 71 10.835 -12.266 -1.634 1.00 74.23 H new ATOM 0 HG23 VAL A 71 11.887 -11.423 -0.472 1.00 74.23 H new ATOM 1173 N VAL A 72 12.396 -7.902 -1.445 1.00 22.12 N ATOM 1174 CA VAL A 72 13.691 -7.389 -1.013 1.00 52.54 C ATOM 1175 C VAL A 72 13.590 -6.724 0.355 1.00 41.01 C ATOM 1176 O VAL A 72 12.780 -5.820 0.559 1.00 35.12 O ATOM 1177 CB VAL A 72 14.257 -6.374 -2.024 1.00 42.24 C ATOM 1178 CG1 VAL A 72 15.715 -6.068 -1.714 1.00 54.15 C ATOM 1179 CG2 VAL A 72 14.104 -6.896 -3.445 1.00 52.41 C ATOM 0 H VAL A 72 11.652 -7.204 -1.469 1.00 22.12 H new ATOM 0 HA VAL A 72 14.365 -8.243 -0.950 1.00 52.54 H new ATOM 0 HB VAL A 72 13.690 -5.447 -1.939 1.00 42.24 H new ATOM 0 HG11 VAL A 72 16.098 -5.349 -2.438 1.00 54.15 H new ATOM 0 HG12 VAL A 72 15.793 -5.649 -0.711 1.00 54.15 H new ATOM 0 HG13 VAL A 72 16.299 -6.986 -1.770 1.00 54.15 H new ATOM 0 HG21 VAL A 72 14.509 -6.166 -4.146 1.00 52.41 H new ATOM 0 HG22 VAL A 72 14.645 -7.837 -3.547 1.00 52.41 H new ATOM 0 HG23 VAL A 72 13.048 -7.059 -3.661 1.00 52.41 H new ATOM 1189 N ARG A 73 14.419 -7.178 1.289 1.00 2.53 N ATOM 1190 CA ARG A 73 14.423 -6.627 2.639 1.00 22.34 C ATOM 1191 C ARG A 73 15.572 -5.640 2.821 1.00 42.34 C ATOM 1192 O ARG A 73 16.742 -6.023 2.815 1.00 20.41 O ATOM 1193 CB ARG A 73 14.535 -7.752 3.671 1.00 45.51 C ATOM 1194 CG ARG A 73 15.663 -8.730 3.385 1.00 0.11 C ATOM 1195 CD ARG A 73 16.468 -9.034 4.639 1.00 72.11 C ATOM 1196 NE ARG A 73 15.806 -10.020 5.489 1.00 74.24 N ATOM 1197 CZ ARG A 73 16.184 -10.291 6.733 1.00 42.13 C ATOM 1198 NH1 ARG A 73 17.215 -9.652 7.269 1.00 31.43 N ATOM 1199 NH2 ARG A 73 15.531 -11.202 7.443 1.00 1.30 N ATOM 0 H ARG A 73 15.096 -7.925 1.136 1.00 2.53 H new ATOM 0 HA ARG A 73 13.483 -6.096 2.790 1.00 22.34 H new ATOM 0 HB2 ARG A 73 14.686 -7.315 4.658 1.00 45.51 H new ATOM 0 HB3 ARG A 73 13.592 -8.298 3.705 1.00 45.51 H new ATOM 0 HG2 ARG A 73 15.251 -9.655 2.983 1.00 0.11 H new ATOM 0 HG3 ARG A 73 16.320 -8.315 2.621 1.00 0.11 H new ATOM 0 HD2 ARG A 73 17.454 -9.403 4.356 1.00 72.11 H new ATOM 0 HD3 ARG A 73 16.622 -8.114 5.203 1.00 72.11 H new ATOM 0 HE ARG A 73 15.009 -10.529 5.106 1.00 74.24 H new ATOM 0 HH11 ARG A 73 17.719 -8.951 6.726 1.00 31.43 H new ATOM 0 HH12 ARG A 73 17.504 -9.861 8.225 1.00 31.43 H new ATOM 0 HH21 ARG A 73 14.738 -11.695 7.034 1.00 1.30 H new ATOM 0 HH22 ARG A 73 15.822 -11.409 8.398 1.00 1.30 H new ATOM 1213 N LYS A 74 15.231 -4.366 2.981 1.00 54.45 N ATOM 1214 CA LYS A 74 16.232 -3.322 3.164 1.00 11.21 C ATOM 1215 C LYS A 74 17.020 -3.544 4.451 1.00 61.21 C ATOM 1216 O LYS A 74 16.547 -4.206 5.375 1.00 73.11 O ATOM 1217 CB LYS A 74 15.564 -1.945 3.194 1.00 31.31 C ATOM 1218 CG LYS A 74 15.620 -1.213 1.865 1.00 51.13 C ATOM 1219 CD LYS A 74 15.514 0.291 2.052 1.00 52.32 C ATOM 1220 CE LYS A 74 16.752 1.006 1.533 1.00 51.23 C ATOM 1221 NZ LYS A 74 17.939 0.759 2.398 1.00 54.32 N ATOM 0 H LYS A 74 14.268 -4.031 2.988 1.00 54.45 H new ATOM 0 HA LYS A 74 16.924 -3.365 2.323 1.00 11.21 H new ATOM 0 HB2 LYS A 74 14.522 -2.062 3.491 1.00 31.31 H new ATOM 0 HB3 LYS A 74 16.046 -1.333 3.957 1.00 31.31 H new ATOM 0 HG2 LYS A 74 16.554 -1.452 1.356 1.00 51.13 H new ATOM 0 HG3 LYS A 74 14.809 -1.559 1.224 1.00 51.13 H new ATOM 0 HD2 LYS A 74 14.632 0.662 1.530 1.00 52.32 H new ATOM 0 HD3 LYS A 74 15.378 0.519 3.109 1.00 52.32 H new ATOM 0 HE2 LYS A 74 16.966 0.671 0.518 1.00 51.23 H new ATOM 0 HE3 LYS A 74 16.557 2.077 1.481 1.00 51.23 H new ATOM 0 HZ1 LYS A 74 18.762 1.263 2.011 1.00 54.32 H new ATOM 0 HZ2 LYS A 74 17.745 1.102 3.360 1.00 54.32 H new ATOM 0 HZ3 LYS A 74 18.141 -0.261 2.428 1.00 54.32 H new ATOM 1235 N LYS A 75 18.225 -2.986 4.505 1.00 33.15 N ATOM 1236 CA LYS A 75 19.078 -3.121 5.680 1.00 43.41 C ATOM 1237 C LYS A 75 20.346 -2.286 5.530 1.00 51.43 C ATOM 1238 O LYS A 75 20.842 -1.713 6.500 1.00 55.24 O ATOM 1239 CB LYS A 75 19.446 -4.589 5.903 1.00 31.32 C ATOM 1240 CG LYS A 75 19.154 -5.082 7.310 1.00 60.31 C ATOM 1241 CD LYS A 75 20.361 -4.920 8.219 1.00 15.12 C ATOM 1242 CE LYS A 75 19.944 -4.594 9.645 1.00 11.52 C ATOM 1243 NZ LYS A 75 19.604 -5.820 10.418 1.00 22.13 N ATOM 0 H LYS A 75 18.633 -2.436 3.749 1.00 33.15 H new ATOM 0 HA LYS A 75 18.523 -2.756 6.544 1.00 43.41 H new ATOM 0 HB2 LYS A 75 18.898 -5.205 5.190 1.00 31.32 H new ATOM 0 HB3 LYS A 75 20.507 -4.725 5.692 1.00 31.32 H new ATOM 0 HG2 LYS A 75 18.310 -4.529 7.722 1.00 60.31 H new ATOM 0 HG3 LYS A 75 18.862 -6.131 7.275 1.00 60.31 H new ATOM 0 HD2 LYS A 75 20.949 -5.837 8.211 1.00 15.12 H new ATOM 0 HD3 LYS A 75 21.003 -4.127 7.836 1.00 15.12 H new ATOM 0 HE2 LYS A 75 20.752 -4.061 10.147 1.00 11.52 H new ATOM 0 HE3 LYS A 75 19.083 -3.925 9.628 1.00 11.52 H new ATOM 0 HZ1 LYS A 75 19.325 -5.555 11.384 1.00 22.13 H new ATOM 0 HZ2 LYS A 75 18.816 -6.316 9.954 1.00 22.13 H new ATOM 0 HZ3 LYS A 75 20.433 -6.447 10.457 1.00 22.13 H new ATOM 1257 N ALA A 76 20.865 -2.220 4.308 1.00 55.02 N ATOM 1258 CA ALA A 76 22.072 -1.452 4.031 1.00 50.03 C ATOM 1259 C ALA A 76 23.204 -1.850 4.972 1.00 13.42 C ATOM 1260 O ALA A 76 24.314 -1.324 4.881 1.00 52.15 O ATOM 1261 CB ALA A 76 21.787 0.038 4.144 1.00 2.44 C ATOM 0 H ALA A 76 20.468 -2.689 3.494 1.00 55.02 H new ATOM 0 HA ALA A 76 22.388 -1.673 3.012 1.00 50.03 H new ATOM 0 HB1 ALA A 76 22.697 0.599 3.935 1.00 2.44 H new ATOM 0 HB2 ALA A 76 21.016 0.316 3.426 1.00 2.44 H new ATOM 0 HB3 ALA A 76 21.443 0.267 5.153 1.00 2.44 H new TER 1267 ALA A 76