USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 724 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 35 LYS NZ :NH3+ 167:sc= -1.5 (180deg=-1.91) USER MOD Set 1.2: A 39 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 30 SER OG : rot -145:sc= -0.625 USER MOD Set 2.2: A 31 GLN : amide:sc= -1.94 K(o=-2.6,f=-7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0377) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 21:sc= 0.517! USER MOD Single : A 12 ASN : amide:sc= -1.87 K(o=-1.9,f=-3.1!) USER MOD Single : A 16 THR OG1 : rot -160:sc= -0.021 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0834 X(o=-0.083,f=-0.027) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0.069) USER MOD Single : A 34 HIS : no HD1:sc= -1.29 X(o=-1.3,f=-1.3) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN :FLIP amide:sc= 0.365 F(o=-0.32,f=0.37) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -96:sc= 0.967 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 2:sc= -1.73 USER MOD Single : A 51 HIS :FLIP no HE2:sc= -0.993 F(o=-2.1,f=-0.99) USER MOD Single : A 52 LYS NZ :NH3+ 173:sc= -0.217 (180deg=-0.219) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -163:sc= -0.0184 (180deg=-0.267) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.125 0.903 23.142 1.00 24.26 N ATOM 2 CA MET A 1 9.770 1.365 23.554 1.00 24.61 C ATOM 3 C MET A 1 9.400 0.716 24.891 1.00 24.73 C ATOM 4 O MET A 1 8.890 1.364 25.785 1.00 25.28 O ATOM 5 CB MET A 1 8.747 0.967 22.478 1.00 24.96 C ATOM 6 CG MET A 1 8.067 2.219 21.916 1.00 25.39 C ATOM 7 SD MET A 1 7.484 1.885 20.234 1.00 25.70 S ATOM 8 CE MET A 1 8.990 2.391 19.369 1.00 25.01 C ATOM 0 H1 MET A 1 11.423 1.418 22.289 1.00 24.26 H new ATOM 0 H2 MET A 1 11.802 1.085 23.910 1.00 24.26 H new ATOM 0 H3 MET A 1 11.097 -0.117 22.939 1.00 24.26 H new ATOM 0 HA MET A 1 9.767 2.449 23.667 1.00 24.61 H new ATOM 0 HB2 MET A 1 9.244 0.421 21.676 1.00 24.96 H new ATOM 0 HB3 MET A 1 8.000 0.297 22.904 1.00 24.96 H new ATOM 0 HG2 MET A 1 7.230 2.508 22.552 1.00 25.39 H new ATOM 0 HG3 MET A 1 8.767 3.055 21.911 1.00 25.39 H new ATOM 0 HE1 MET A 1 8.852 2.266 18.295 1.00 25.01 H new ATOM 0 HE2 MET A 1 9.201 3.438 19.588 1.00 25.01 H new ATOM 0 HE3 MET A 1 9.825 1.775 19.702 1.00 25.01 H new ATOM 20 N SER A 2 9.657 -0.560 25.029 1.00 24.41 N ATOM 21 CA SER A 2 9.325 -1.262 26.304 1.00 24.76 C ATOM 22 C SER A 2 10.263 -2.458 26.486 1.00 24.18 C ATOM 23 O SER A 2 10.951 -2.862 25.569 1.00 23.73 O ATOM 24 CB SER A 2 7.878 -1.752 26.253 1.00 25.56 C ATOM 25 OG SER A 2 7.394 -1.920 27.580 1.00 26.84 O ATOM 0 H SER A 2 10.083 -1.146 24.312 1.00 24.41 H new ATOM 0 HA SER A 2 9.446 -0.574 27.141 1.00 24.76 H new ATOM 0 HB2 SER A 2 7.258 -1.035 25.715 1.00 25.56 H new ATOM 0 HB3 SER A 2 7.820 -2.695 25.710 1.00 25.56 H new ATOM 0 HG SER A 2 6.466 -2.233 27.552 1.00 26.84 H new ATOM 31 N LYS A 3 10.295 -3.024 27.668 1.00 24.39 N ATOM 32 CA LYS A 3 11.187 -4.197 27.926 1.00 24.12 C ATOM 33 C LYS A 3 12.647 -3.791 27.691 1.00 22.87 C ATOM 34 O LYS A 3 12.928 -2.710 27.211 1.00 22.18 O ATOM 35 CB LYS A 3 10.805 -5.351 26.983 1.00 24.14 C ATOM 36 CG LYS A 3 10.577 -6.631 27.792 1.00 25.32 C ATOM 37 CD LYS A 3 10.480 -7.826 26.842 1.00 25.62 C ATOM 38 CE LYS A 3 9.984 -9.052 27.613 1.00 26.81 C ATOM 39 NZ LYS A 3 10.296 -10.286 26.839 1.00 27.19 N ATOM 0 H LYS A 3 9.739 -2.722 28.468 1.00 24.39 H new ATOM 0 HA LYS A 3 11.069 -4.526 28.959 1.00 24.12 H new ATOM 0 HB2 LYS A 3 9.902 -5.095 26.428 1.00 24.14 H new ATOM 0 HB3 LYS A 3 11.596 -5.510 26.250 1.00 24.14 H new ATOM 0 HG2 LYS A 3 11.395 -6.779 28.497 1.00 25.32 H new ATOM 0 HG3 LYS A 3 9.663 -6.545 28.379 1.00 25.32 H new ATOM 0 HD2 LYS A 3 9.798 -7.598 26.022 1.00 25.62 H new ATOM 0 HD3 LYS A 3 11.454 -8.032 26.399 1.00 25.62 H new ATOM 0 HE2 LYS A 3 10.459 -9.095 28.593 1.00 26.81 H new ATOM 0 HE3 LYS A 3 8.910 -8.978 27.782 1.00 26.81 H new ATOM 0 HZ1 LYS A 3 9.959 -11.119 27.363 1.00 27.19 H new ATOM 0 HZ2 LYS A 3 9.823 -10.244 25.914 1.00 27.19 H new ATOM 0 HZ3 LYS A 3 11.324 -10.358 26.699 1.00 27.19 H new ATOM 53 N ARG A 4 13.573 -4.653 28.030 1.00 22.77 N ATOM 54 CA ARG A 4 15.016 -4.326 27.831 1.00 21.82 C ATOM 55 C ARG A 4 15.394 -4.544 26.365 1.00 20.33 C ATOM 56 O ARG A 4 15.164 -5.600 25.806 1.00 20.23 O ATOM 57 CB ARG A 4 15.872 -5.233 28.717 1.00 22.58 C ATOM 58 CG ARG A 4 15.940 -4.650 30.130 1.00 23.69 C ATOM 59 CD ARG A 4 16.258 -5.764 31.128 1.00 24.80 C ATOM 60 NE ARG A 4 15.215 -6.832 31.031 1.00 25.38 N ATOM 61 CZ ARG A 4 15.396 -8.022 31.570 1.00 26.09 C ATOM 62 NH1 ARG A 4 16.502 -8.326 32.211 1.00 26.33 N ATOM 63 NH2 ARG A 4 14.455 -8.919 31.462 1.00 26.77 N ATOM 0 H ARG A 4 13.390 -5.570 28.437 1.00 22.77 H new ATOM 0 HA ARG A 4 15.191 -3.284 28.100 1.00 21.82 H new ATOM 0 HB2 ARG A 4 15.447 -6.236 28.746 1.00 22.58 H new ATOM 0 HB3 ARG A 4 16.875 -5.324 28.301 1.00 22.58 H new ATOM 0 HG2 ARG A 4 16.705 -3.875 30.178 1.00 23.69 H new ATOM 0 HG3 ARG A 4 14.991 -4.178 30.386 1.00 23.69 H new ATOM 0 HD2 ARG A 4 17.243 -6.183 30.921 1.00 24.80 H new ATOM 0 HD3 ARG A 4 16.289 -5.362 32.141 1.00 24.80 H new ATOM 0 HE ARG A 4 14.345 -6.635 30.537 1.00 25.38 H new ATOM 0 HH11 ARG A 4 17.246 -7.634 32.301 1.00 26.33 H new ATOM 0 HH12 ARG A 4 16.617 -9.254 32.619 1.00 26.33 H new ATOM 0 HH21 ARG A 4 13.592 -8.696 30.965 1.00 26.77 H new ATOM 0 HH22 ARG A 4 14.582 -9.843 31.874 1.00 26.77 H new ATOM 77 N LYS A 5 15.972 -3.549 25.740 1.00 19.37 N ATOM 78 CA LYS A 5 16.372 -3.684 24.308 1.00 18.06 C ATOM 79 C LYS A 5 17.321 -2.544 23.938 1.00 16.78 C ATOM 80 O LYS A 5 17.068 -1.393 24.241 1.00 16.85 O ATOM 81 CB LYS A 5 15.126 -3.618 23.421 1.00 17.94 C ATOM 82 CG LYS A 5 15.511 -3.930 21.972 1.00 17.69 C ATOM 83 CD LYS A 5 15.266 -5.413 21.685 1.00 18.63 C ATOM 84 CE LYS A 5 16.018 -5.819 20.415 1.00 18.59 C ATOM 85 NZ LYS A 5 15.426 -7.071 19.866 1.00 19.34 N ATOM 0 H LYS A 5 16.184 -2.645 26.163 1.00 19.37 H new ATOM 0 HA LYS A 5 16.873 -4.640 24.158 1.00 18.06 H new ATOM 0 HB2 LYS A 5 14.380 -4.331 23.771 1.00 17.94 H new ATOM 0 HB3 LYS A 5 14.675 -2.628 23.483 1.00 17.94 H new ATOM 0 HG2 LYS A 5 14.925 -3.315 21.289 1.00 17.69 H new ATOM 0 HG3 LYS A 5 16.559 -3.685 21.802 1.00 17.69 H new ATOM 0 HD2 LYS A 5 15.601 -6.018 22.528 1.00 18.63 H new ATOM 0 HD3 LYS A 5 14.199 -5.599 21.564 1.00 18.63 H new ATOM 0 HE2 LYS A 5 15.960 -5.021 19.674 1.00 18.59 H new ATOM 0 HE3 LYS A 5 17.074 -5.971 20.638 1.00 18.59 H new ATOM 0 HZ1 LYS A 5 15.937 -7.347 19.003 1.00 19.34 H new ATOM 0 HZ2 LYS A 5 15.504 -7.830 20.572 1.00 19.34 H new ATOM 0 HZ3 LYS A 5 14.424 -6.911 19.639 1.00 19.34 H new ATOM 99 N ALA A 6 18.413 -2.857 23.286 1.00 15.89 N ATOM 100 CA ALA A 6 19.387 -1.797 22.890 1.00 14.95 C ATOM 101 C ALA A 6 18.834 -1.019 21.676 1.00 13.64 C ATOM 102 O ALA A 6 18.690 -1.595 20.617 1.00 13.20 O ATOM 103 CB ALA A 6 20.715 -2.452 22.506 1.00 14.80 C ATOM 0 H ALA A 6 18.671 -3.805 23.011 1.00 15.89 H new ATOM 0 HA ALA A 6 19.541 -1.112 23.724 1.00 14.95 H new ATOM 0 HB1 ALA A 6 21.430 -1.682 22.216 1.00 14.80 H new ATOM 0 HB2 ALA A 6 21.106 -3.008 23.358 1.00 14.80 H new ATOM 0 HB3 ALA A 6 20.556 -3.133 21.670 1.00 14.80 H new ATOM 109 N PRO A 7 18.532 0.264 21.839 1.00 13.36 N ATOM 110 CA PRO A 7 17.998 1.066 20.722 1.00 12.42 C ATOM 111 C PRO A 7 19.012 1.110 19.574 1.00 11.49 C ATOM 112 O PRO A 7 19.880 1.962 19.535 1.00 11.68 O ATOM 113 CB PRO A 7 17.774 2.469 21.305 1.00 12.89 C ATOM 114 CG PRO A 7 18.216 2.440 22.789 1.00 14.07 C ATOM 115 CD PRO A 7 18.688 1.013 23.108 1.00 14.31 C ATOM 0 HA PRO A 7 17.077 0.648 20.315 1.00 12.42 H new ATOM 0 HB2 PRO A 7 18.349 3.210 20.749 1.00 12.89 H new ATOM 0 HB3 PRO A 7 16.725 2.753 21.224 1.00 12.89 H new ATOM 0 HG2 PRO A 7 19.019 3.156 22.963 1.00 14.07 H new ATOM 0 HG3 PRO A 7 17.389 2.724 23.440 1.00 14.07 H new ATOM 0 HD2 PRO A 7 19.725 1.006 23.445 1.00 14.31 H new ATOM 0 HD3 PRO A 7 18.091 0.569 23.904 1.00 14.31 H new ATOM 123 N GLN A 8 18.904 0.199 18.642 1.00 10.91 N ATOM 124 CA GLN A 8 19.856 0.177 17.493 1.00 10.49 C ATOM 125 C GLN A 8 19.344 1.111 16.394 1.00 9.64 C ATOM 126 O GLN A 8 20.073 1.943 15.887 1.00 10.09 O ATOM 127 CB GLN A 8 19.959 -1.248 16.944 1.00 10.79 C ATOM 128 CG GLN A 8 21.052 -1.306 15.875 1.00 11.10 C ATOM 129 CD GLN A 8 20.676 -2.344 14.817 1.00 11.43 C ATOM 130 OE1 GLN A 8 20.543 -2.022 13.652 1.00 11.54 O ATOM 131 NE2 GLN A 8 20.497 -3.587 15.173 1.00 12.08 N ATOM 0 H GLN A 8 18.194 -0.533 18.628 1.00 10.91 H new ATOM 0 HA GLN A 8 20.839 0.509 17.826 1.00 10.49 H new ATOM 0 HB2 GLN A 8 20.188 -1.944 17.751 1.00 10.79 H new ATOM 0 HB3 GLN A 8 19.003 -1.555 16.519 1.00 10.79 H new ATOM 0 HG2 GLN A 8 21.175 -0.327 15.412 1.00 11.10 H new ATOM 0 HG3 GLN A 8 22.008 -1.565 16.331 1.00 11.10 H new ATOM 0 HE21 GLN A 8 20.608 -3.859 16.150 1.00 12.08 H new ATOM 0 HE22 GLN A 8 20.246 -4.286 14.474 1.00 12.08 H new ATOM 140 N GLU A 9 18.096 0.977 16.025 1.00 8.82 N ATOM 141 CA GLU A 9 17.523 1.852 14.960 1.00 8.36 C ATOM 142 C GLU A 9 16.000 1.720 14.957 1.00 7.43 C ATOM 143 O GLU A 9 15.463 0.643 14.777 1.00 7.28 O ATOM 144 CB GLU A 9 18.075 1.424 13.597 1.00 8.81 C ATOM 145 CG GLU A 9 18.159 2.643 12.675 1.00 9.57 C ATOM 146 CD GLU A 9 18.740 2.222 11.325 1.00 10.56 C ATOM 147 OE1 GLU A 9 19.662 1.423 11.321 1.00 11.21 O ATOM 148 OE2 GLU A 9 18.253 2.706 10.316 1.00 11.05 O ATOM 0 H GLU A 9 17.447 0.296 16.418 1.00 8.82 H new ATOM 0 HA GLU A 9 17.797 2.889 15.154 1.00 8.36 H new ATOM 0 HB2 GLU A 9 19.062 0.976 13.717 1.00 8.81 H new ATOM 0 HB3 GLU A 9 17.431 0.664 13.155 1.00 8.81 H new ATOM 0 HG2 GLU A 9 17.169 3.077 12.537 1.00 9.57 H new ATOM 0 HG3 GLU A 9 18.784 3.413 13.128 1.00 9.57 H new ATOM 155 N THR A 10 15.300 2.809 15.155 1.00 7.31 N ATOM 156 CA THR A 10 13.808 2.757 15.165 1.00 6.86 C ATOM 157 C THR A 10 13.302 2.311 13.793 1.00 5.62 C ATOM 158 O THR A 10 13.658 2.878 12.778 1.00 5.78 O ATOM 159 CB THR A 10 13.251 4.146 15.487 1.00 8.07 C ATOM 160 OG1 THR A 10 13.576 5.039 14.431 1.00 8.50 O ATOM 161 CG2 THR A 10 13.860 4.654 16.794 1.00 9.28 C ATOM 0 H THR A 10 15.700 3.734 15.311 1.00 7.31 H new ATOM 0 HA THR A 10 13.476 2.047 15.922 1.00 6.86 H new ATOM 0 HB THR A 10 12.168 4.088 15.595 1.00 8.07 H new ATOM 0 HG1 THR A 10 13.767 4.528 13.617 1.00 8.50 H new ATOM 0 HG21 THR A 10 13.462 5.643 17.021 1.00 9.28 H new ATOM 0 HG22 THR A 10 13.610 3.968 17.603 1.00 9.28 H new ATOM 0 HG23 THR A 10 14.944 4.714 16.691 1.00 9.28 H new ATOM 169 N LEU A 11 12.472 1.298 13.757 1.00 4.98 N ATOM 170 CA LEU A 11 11.936 0.809 12.454 1.00 4.18 C ATOM 171 C LEU A 11 10.925 1.817 11.905 1.00 3.93 C ATOM 172 O LEU A 11 9.872 2.026 12.477 1.00 4.71 O ATOM 173 CB LEU A 11 11.248 -0.543 12.659 1.00 4.75 C ATOM 174 CG LEU A 11 11.109 -1.249 11.311 1.00 5.50 C ATOM 175 CD1 LEU A 11 12.461 -1.828 10.896 1.00 6.38 C ATOM 176 CD2 LEU A 11 10.086 -2.381 11.431 1.00 6.53 C ATOM 0 H LEU A 11 12.143 0.789 14.577 1.00 4.98 H new ATOM 0 HA LEU A 11 12.756 0.696 11.745 1.00 4.18 H new ATOM 0 HB2 LEU A 11 11.828 -1.158 13.347 1.00 4.75 H new ATOM 0 HB3 LEU A 11 10.266 -0.400 13.110 1.00 4.75 H new ATOM 0 HG LEU A 11 10.774 -0.533 10.560 1.00 5.50 H new ATOM 0 HD11 LEU A 11 12.361 -2.332 9.934 1.00 6.38 H new ATOM 0 HD12 LEU A 11 13.191 -1.023 10.810 1.00 6.38 H new ATOM 0 HD13 LEU A 11 12.797 -2.543 11.647 1.00 6.38 H new ATOM 0 HD21 LEU A 11 9.986 -2.885 10.470 1.00 6.53 H new ATOM 0 HD22 LEU A 11 10.421 -3.096 12.182 1.00 6.53 H new ATOM 0 HD23 LEU A 11 9.121 -1.969 11.726 1.00 6.53 H new ATOM 188 N ASN A 12 11.240 2.441 10.799 1.00 3.62 N ATOM 189 CA ASN A 12 10.304 3.439 10.202 1.00 4.11 C ATOM 190 C ASN A 12 10.439 3.412 8.677 1.00 3.73 C ATOM 191 O ASN A 12 11.531 3.348 8.146 1.00 4.09 O ATOM 192 CB ASN A 12 10.647 4.836 10.720 1.00 5.35 C ATOM 193 CG ASN A 12 12.129 5.126 10.477 1.00 6.54 C ATOM 194 OD1 ASN A 12 12.985 4.382 10.910 1.00 6.64 O ATOM 195 ND2 ASN A 12 12.470 6.185 9.796 1.00 7.96 N ATOM 0 H ASN A 12 12.108 2.301 10.282 1.00 3.62 H new ATOM 0 HA ASN A 12 9.280 3.191 10.482 1.00 4.11 H new ATOM 0 HB2 ASN A 12 10.033 5.582 10.216 1.00 5.35 H new ATOM 0 HB3 ASN A 12 10.423 4.905 11.784 1.00 5.35 H new ATOM 0 HD21 ASN A 12 13.455 6.388 9.628 1.00 7.96 H new ATOM 0 HD22 ASN A 12 11.751 6.810 9.432 1.00 7.96 H new ATOM 202 N GLY A 13 9.335 3.460 7.973 1.00 3.22 N ATOM 203 CA GLY A 13 9.392 3.436 6.482 1.00 3.17 C ATOM 204 C GLY A 13 9.401 1.985 5.994 1.00 2.85 C ATOM 205 O GLY A 13 9.229 1.062 6.767 1.00 2.88 O ATOM 0 H GLY A 13 8.397 3.515 8.369 1.00 3.22 H new ATOM 0 HA2 GLY A 13 8.535 3.965 6.066 1.00 3.17 H new ATOM 0 HA3 GLY A 13 10.286 3.954 6.133 1.00 3.17 H new ATOM 209 N GLY A 14 9.590 1.781 4.714 1.00 3.07 N ATOM 210 CA GLY A 14 9.599 0.394 4.164 1.00 2.87 C ATOM 211 C GLY A 14 8.166 -0.004 3.825 1.00 2.37 C ATOM 212 O GLY A 14 7.773 -1.146 3.971 1.00 2.49 O ATOM 0 H GLY A 14 9.739 2.519 4.026 1.00 3.07 H new ATOM 0 HA2 GLY A 14 10.226 0.344 3.274 1.00 2.87 H new ATOM 0 HA3 GLY A 14 10.022 -0.299 4.891 1.00 2.87 H new ATOM 216 N ILE A 15 7.385 0.943 3.381 1.00 1.98 N ATOM 217 CA ILE A 15 5.962 0.658 3.032 1.00 1.53 C ATOM 218 C ILE A 15 5.865 0.270 1.562 1.00 1.10 C ATOM 219 O ILE A 15 5.394 -0.794 1.212 1.00 1.19 O ATOM 220 CB ILE A 15 5.104 1.908 3.232 1.00 1.24 C ATOM 221 CG1 ILE A 15 5.504 2.681 4.487 1.00 1.99 C ATOM 222 CG2 ILE A 15 3.645 1.505 3.361 1.00 1.09 C ATOM 223 CD1 ILE A 15 4.793 4.032 4.460 1.00 2.09 C ATOM 0 H ILE A 15 7.674 1.911 3.244 1.00 1.98 H new ATOM 0 HA ILE A 15 5.610 -0.149 3.675 1.00 1.53 H new ATOM 0 HB ILE A 15 5.257 2.552 2.366 1.00 1.24 H new ATOM 0 HG12 ILE A 15 5.227 2.123 5.382 1.00 1.99 H new ATOM 0 HG13 ILE A 15 6.585 2.820 4.520 1.00 1.99 H new ATOM 0 HG21 ILE A 15 3.033 2.395 3.504 1.00 1.09 H new ATOM 0 HG22 ILE A 15 3.329 0.989 2.455 1.00 1.09 H new ATOM 0 HG23 ILE A 15 3.525 0.841 4.217 1.00 1.09 H new ATOM 0 HD11 ILE A 15 5.063 4.603 5.348 1.00 2.09 H new ATOM 0 HD12 ILE A 15 5.093 4.583 3.569 1.00 2.09 H new ATOM 0 HD13 ILE A 15 3.714 3.875 4.444 1.00 2.09 H new ATOM 235 N THR A 16 6.292 1.154 0.696 1.00 0.86 N ATOM 236 CA THR A 16 6.217 0.889 -0.771 1.00 0.61 C ATOM 237 C THR A 16 7.044 -0.349 -1.153 1.00 0.66 C ATOM 238 O THR A 16 6.918 -0.852 -2.251 1.00 0.69 O ATOM 239 CB THR A 16 6.731 2.110 -1.547 1.00 0.88 C ATOM 240 OG1 THR A 16 6.909 1.764 -2.914 1.00 1.01 O ATOM 241 CG2 THR A 16 8.061 2.582 -0.958 1.00 1.22 C ATOM 0 H THR A 16 6.694 2.057 0.947 1.00 0.86 H new ATOM 0 HA THR A 16 5.175 0.700 -1.029 1.00 0.61 H new ATOM 0 HB THR A 16 6.002 2.916 -1.468 1.00 0.88 H new ATOM 0 HG1 THR A 16 7.516 2.406 -3.337 1.00 1.01 H new ATOM 0 HG21 THR A 16 8.418 3.448 -1.515 1.00 1.22 H new ATOM 0 HG22 THR A 16 7.919 2.856 0.088 1.00 1.22 H new ATOM 0 HG23 THR A 16 8.795 1.779 -1.027 1.00 1.22 H new ATOM 249 N ASP A 17 7.888 -0.841 -0.278 1.00 0.81 N ATOM 250 CA ASP A 17 8.705 -2.043 -0.621 1.00 0.94 C ATOM 251 C ASP A 17 7.797 -3.277 -0.705 1.00 0.97 C ATOM 252 O ASP A 17 7.737 -3.947 -1.720 1.00 1.01 O ATOM 253 CB ASP A 17 9.764 -2.261 0.463 1.00 1.07 C ATOM 254 CG ASP A 17 11.046 -1.520 0.080 1.00 1.88 C ATOM 255 OD1 ASP A 17 11.137 -0.341 0.379 1.00 3.01 O ATOM 256 OD2 ASP A 17 11.914 -2.144 -0.506 1.00 2.42 O ATOM 0 H ASP A 17 8.045 -0.462 0.656 1.00 0.81 H new ATOM 0 HA ASP A 17 9.193 -1.889 -1.584 1.00 0.94 H new ATOM 0 HB2 ASP A 17 9.396 -1.900 1.424 1.00 1.07 H new ATOM 0 HB3 ASP A 17 9.967 -3.326 0.579 1.00 1.07 H new ATOM 261 N MET A 18 7.096 -3.580 0.358 1.00 1.02 N ATOM 262 CA MET A 18 6.194 -4.773 0.358 1.00 1.11 C ATOM 263 C MET A 18 4.899 -4.466 -0.410 1.00 1.03 C ATOM 264 O MET A 18 4.222 -5.368 -0.878 1.00 1.09 O ATOM 265 CB MET A 18 5.855 -5.144 1.804 1.00 1.32 C ATOM 266 CG MET A 18 6.983 -6.005 2.390 1.00 2.06 C ATOM 267 SD MET A 18 7.311 -5.511 4.102 1.00 3.29 S ATOM 268 CE MET A 18 7.595 -7.169 4.769 1.00 3.32 C ATOM 0 H MET A 18 7.109 -3.051 1.230 1.00 1.02 H new ATOM 0 HA MET A 18 6.702 -5.604 -0.132 1.00 1.11 H new ATOM 0 HB2 MET A 18 5.724 -4.241 2.401 1.00 1.32 H new ATOM 0 HB3 MET A 18 4.912 -5.689 1.839 1.00 1.32 H new ATOM 0 HG2 MET A 18 6.705 -7.058 2.353 1.00 2.06 H new ATOM 0 HG3 MET A 18 7.887 -5.893 1.791 1.00 2.06 H new ATOM 0 HE1 MET A 18 7.819 -7.100 5.833 1.00 3.32 H new ATOM 0 HE2 MET A 18 6.702 -7.777 4.625 1.00 3.32 H new ATOM 0 HE3 MET A 18 8.436 -7.631 4.251 1.00 3.32 H new ATOM 278 N LEU A 19 4.558 -3.209 -0.564 1.00 0.95 N ATOM 279 CA LEU A 19 3.319 -2.859 -1.316 1.00 0.96 C ATOM 280 C LEU A 19 3.590 -3.136 -2.790 1.00 0.85 C ATOM 281 O LEU A 19 2.766 -3.669 -3.514 1.00 0.94 O ATOM 282 CB LEU A 19 2.987 -1.377 -1.109 1.00 0.93 C ATOM 283 CG LEU A 19 1.474 -1.213 -0.952 1.00 0.74 C ATOM 284 CD1 LEU A 19 1.145 0.230 -0.573 1.00 1.68 C ATOM 285 CD2 LEU A 19 0.790 -1.554 -2.272 1.00 1.58 C ATOM 0 H LEU A 19 5.085 -2.414 -0.201 1.00 0.95 H new ATOM 0 HA LEU A 19 2.471 -3.448 -0.965 1.00 0.96 H new ATOM 0 HB2 LEU A 19 3.499 -0.998 -0.224 1.00 0.93 H new ATOM 0 HB3 LEU A 19 3.341 -0.791 -1.957 1.00 0.93 H new ATOM 0 HG LEU A 19 1.120 -1.882 -0.168 1.00 0.74 H new ATOM 0 HD11 LEU A 19 0.066 0.340 -0.463 1.00 1.68 H new ATOM 0 HD12 LEU A 19 1.633 0.479 0.369 1.00 1.68 H new ATOM 0 HD13 LEU A 19 1.500 0.902 -1.355 1.00 1.68 H new ATOM 0 HD21 LEU A 19 -0.288 -1.438 -2.164 1.00 1.58 H new ATOM 0 HD22 LEU A 19 1.150 -0.884 -3.052 1.00 1.58 H new ATOM 0 HD23 LEU A 19 1.019 -2.584 -2.545 1.00 1.58 H new ATOM 297 N VAL A 20 4.772 -2.797 -3.216 1.00 0.73 N ATOM 298 CA VAL A 20 5.177 -3.045 -4.618 1.00 0.71 C ATOM 299 C VAL A 20 5.327 -4.560 -4.820 1.00 0.77 C ATOM 300 O VAL A 20 5.202 -5.054 -5.922 1.00 0.87 O ATOM 301 CB VAL A 20 6.508 -2.316 -4.874 1.00 0.67 C ATOM 302 CG1 VAL A 20 7.112 -2.743 -6.211 1.00 0.90 C ATOM 303 CG2 VAL A 20 6.253 -0.808 -4.903 1.00 0.63 C ATOM 0 H VAL A 20 5.485 -2.351 -2.639 1.00 0.73 H new ATOM 0 HA VAL A 20 4.432 -2.672 -5.320 1.00 0.71 H new ATOM 0 HB VAL A 20 7.206 -2.571 -4.076 1.00 0.67 H new ATOM 0 HG11 VAL A 20 8.052 -2.215 -6.371 1.00 0.90 H new ATOM 0 HG12 VAL A 20 7.296 -3.817 -6.200 1.00 0.90 H new ATOM 0 HG13 VAL A 20 6.419 -2.502 -7.017 1.00 0.90 H new ATOM 0 HG21 VAL A 20 7.191 -0.284 -5.084 1.00 0.63 H new ATOM 0 HG22 VAL A 20 5.547 -0.574 -5.700 1.00 0.63 H new ATOM 0 HG23 VAL A 20 5.839 -0.491 -3.946 1.00 0.63 H new ATOM 313 N GLU A 21 5.585 -5.301 -3.763 1.00 0.82 N ATOM 314 CA GLU A 21 5.728 -6.782 -3.894 1.00 0.90 C ATOM 315 C GLU A 21 4.412 -7.368 -4.415 1.00 0.89 C ATOM 316 O GLU A 21 4.398 -8.192 -5.317 1.00 0.96 O ATOM 317 CB GLU A 21 6.050 -7.386 -2.524 1.00 0.97 C ATOM 318 CG GLU A 21 6.880 -8.658 -2.708 1.00 1.37 C ATOM 319 CD GLU A 21 5.949 -9.868 -2.782 1.00 2.29 C ATOM 320 OE1 GLU A 21 5.175 -9.939 -3.722 1.00 3.34 O ATOM 321 OE2 GLU A 21 6.027 -10.707 -1.899 1.00 3.23 O ATOM 0 H GLU A 21 5.702 -4.939 -2.817 1.00 0.82 H new ATOM 0 HA GLU A 21 6.534 -7.014 -4.590 1.00 0.90 H new ATOM 0 HB2 GLU A 21 6.599 -6.666 -1.917 1.00 0.97 H new ATOM 0 HB3 GLU A 21 5.128 -7.615 -1.990 1.00 0.97 H new ATOM 0 HG2 GLU A 21 7.476 -8.588 -3.618 1.00 1.37 H new ATOM 0 HG3 GLU A 21 7.578 -8.773 -1.879 1.00 1.37 H new ATOM 328 N LEU A 22 3.299 -6.940 -3.863 1.00 0.87 N ATOM 329 CA LEU A 22 1.984 -7.463 -4.341 1.00 0.92 C ATOM 330 C LEU A 22 1.803 -7.079 -5.810 1.00 0.86 C ATOM 331 O LEU A 22 1.291 -7.846 -6.601 1.00 0.89 O ATOM 332 CB LEU A 22 0.835 -6.861 -3.524 1.00 1.06 C ATOM 333 CG LEU A 22 -0.346 -7.848 -3.470 1.00 1.25 C ATOM 334 CD1 LEU A 22 -1.516 -7.201 -2.730 1.00 1.99 C ATOM 335 CD2 LEU A 22 -0.806 -8.215 -4.887 1.00 1.55 C ATOM 0 H LEU A 22 3.247 -6.256 -3.108 1.00 0.87 H new ATOM 0 HA LEU A 22 1.970 -8.547 -4.224 1.00 0.92 H new ATOM 0 HB2 LEU A 22 1.176 -6.634 -2.514 1.00 1.06 H new ATOM 0 HB3 LEU A 22 0.514 -5.920 -3.971 1.00 1.06 H new ATOM 0 HG LEU A 22 -0.020 -8.750 -2.952 1.00 1.25 H new ATOM 0 HD11 LEU A 22 -2.353 -7.899 -2.691 1.00 1.99 H new ATOM 0 HD12 LEU A 22 -1.209 -6.946 -1.716 1.00 1.99 H new ATOM 0 HD13 LEU A 22 -1.822 -6.296 -3.255 1.00 1.99 H new ATOM 0 HD21 LEU A 22 -1.641 -8.913 -4.829 1.00 1.55 H new ATOM 0 HD22 LEU A 22 -1.122 -7.314 -5.412 1.00 1.55 H new ATOM 0 HD23 LEU A 22 0.018 -8.679 -5.428 1.00 1.55 H new ATOM 347 N ALA A 23 2.227 -5.897 -6.177 1.00 0.83 N ATOM 348 CA ALA A 23 2.091 -5.465 -7.599 1.00 0.86 C ATOM 349 C ALA A 23 3.043 -6.292 -8.479 1.00 0.86 C ATOM 350 O ALA A 23 2.834 -6.435 -9.669 1.00 0.89 O ATOM 351 CB ALA A 23 2.439 -3.980 -7.718 1.00 0.95 C ATOM 0 H ALA A 23 2.660 -5.215 -5.555 1.00 0.83 H new ATOM 0 HA ALA A 23 1.065 -5.622 -7.930 1.00 0.86 H new ATOM 0 HB1 ALA A 23 2.340 -3.665 -8.757 1.00 0.95 H new ATOM 0 HB2 ALA A 23 1.761 -3.396 -7.095 1.00 0.95 H new ATOM 0 HB3 ALA A 23 3.465 -3.819 -7.387 1.00 0.95 H new ATOM 357 N ASN A 24 4.084 -6.842 -7.897 1.00 0.91 N ATOM 358 CA ASN A 24 5.053 -7.668 -8.682 1.00 1.01 C ATOM 359 C ASN A 24 4.524 -9.107 -8.834 1.00 1.09 C ATOM 360 O ASN A 24 5.076 -9.886 -9.584 1.00 1.22 O ATOM 361 CB ASN A 24 6.404 -7.691 -7.951 1.00 1.04 C ATOM 362 CG ASN A 24 7.539 -7.455 -8.952 1.00 1.37 C ATOM 363 OD1 ASN A 24 8.491 -6.759 -8.656 1.00 2.21 O ATOM 364 ND2 ASN A 24 7.479 -8.007 -10.133 1.00 2.47 N ATOM 0 H ASN A 24 4.304 -6.752 -6.905 1.00 0.91 H new ATOM 0 HA ASN A 24 5.176 -7.232 -9.673 1.00 1.01 H new ATOM 0 HB2 ASN A 24 6.423 -6.923 -7.178 1.00 1.04 H new ATOM 0 HB3 ASN A 24 6.541 -8.650 -7.451 1.00 1.04 H new ATOM 0 HD21 ASN A 24 8.230 -7.854 -10.806 1.00 2.47 H new ATOM 0 HD22 ASN A 24 6.681 -8.591 -10.383 1.00 2.47 H new ATOM 371 N PHE A 25 3.464 -9.455 -8.117 1.00 1.10 N ATOM 372 CA PHE A 25 2.851 -10.838 -8.182 1.00 1.26 C ATOM 373 C PHE A 25 2.929 -11.431 -9.605 1.00 1.43 C ATOM 374 O PHE A 25 3.119 -12.619 -9.782 1.00 1.72 O ATOM 375 CB PHE A 25 1.380 -10.718 -7.750 1.00 1.25 C ATOM 376 CG PHE A 25 1.204 -11.170 -6.315 1.00 1.36 C ATOM 377 CD1 PHE A 25 2.109 -10.760 -5.325 1.00 2.42 C ATOM 378 CD2 PHE A 25 0.122 -11.989 -5.975 1.00 2.00 C ATOM 379 CE1 PHE A 25 1.930 -11.174 -4.000 1.00 2.66 C ATOM 380 CE2 PHE A 25 -0.057 -12.400 -4.650 1.00 2.04 C ATOM 381 CZ PHE A 25 0.847 -11.993 -3.662 1.00 1.80 C ATOM 0 H PHE A 25 2.988 -8.822 -7.475 1.00 1.10 H new ATOM 0 HA PHE A 25 3.404 -11.507 -7.523 1.00 1.26 H new ATOM 0 HB2 PHE A 25 1.048 -9.685 -7.854 1.00 1.25 H new ATOM 0 HB3 PHE A 25 0.753 -11.322 -8.406 1.00 1.25 H new ATOM 0 HD1 PHE A 25 2.943 -10.125 -5.585 1.00 2.42 H new ATOM 0 HD2 PHE A 25 -0.576 -12.304 -6.736 1.00 2.00 H new ATOM 0 HE1 PHE A 25 2.628 -10.861 -3.238 1.00 2.66 H new ATOM 0 HE2 PHE A 25 -0.893 -13.032 -4.389 1.00 2.04 H new ATOM 0 HZ PHE A 25 0.709 -12.311 -2.639 1.00 1.80 H new ATOM 391 N GLU A 26 2.814 -10.600 -10.613 1.00 1.35 N ATOM 392 CA GLU A 26 2.914 -11.086 -12.028 1.00 1.57 C ATOM 393 C GLU A 26 1.936 -12.239 -12.292 1.00 1.68 C ATOM 394 O GLU A 26 2.139 -13.033 -13.191 1.00 2.03 O ATOM 395 CB GLU A 26 4.341 -11.565 -12.294 1.00 1.98 C ATOM 396 CG GLU A 26 5.208 -10.373 -12.707 1.00 2.31 C ATOM 397 CD GLU A 26 6.525 -10.876 -13.299 1.00 2.83 C ATOM 398 OE1 GLU A 26 6.495 -11.880 -13.992 1.00 3.67 O ATOM 399 OE2 GLU A 26 7.542 -10.250 -13.050 1.00 3.41 O ATOM 0 H GLU A 26 2.654 -9.597 -10.516 1.00 1.35 H new ATOM 0 HA GLU A 26 2.658 -10.261 -12.693 1.00 1.57 H new ATOM 0 HB2 GLU A 26 4.751 -12.035 -11.400 1.00 1.98 H new ATOM 0 HB3 GLU A 26 4.343 -12.320 -13.080 1.00 1.98 H new ATOM 0 HG2 GLU A 26 4.679 -9.762 -13.438 1.00 2.31 H new ATOM 0 HG3 GLU A 26 5.405 -9.738 -11.844 1.00 2.31 H new ATOM 406 N LYS A 27 0.879 -12.329 -11.530 1.00 1.63 N ATOM 407 CA LYS A 27 -0.116 -13.421 -11.747 1.00 1.91 C ATOM 408 C LYS A 27 -1.476 -12.952 -11.226 1.00 1.93 C ATOM 409 O LYS A 27 -2.334 -12.539 -11.985 1.00 2.06 O ATOM 410 CB LYS A 27 0.335 -14.686 -10.998 1.00 2.34 C ATOM 411 CG LYS A 27 0.568 -15.827 -11.993 1.00 2.50 C ATOM 412 CD LYS A 27 -0.758 -16.535 -12.281 1.00 3.89 C ATOM 413 CE LYS A 27 -0.481 -17.919 -12.873 1.00 4.25 C ATOM 414 NZ LYS A 27 -1.705 -18.761 -12.764 1.00 5.70 N ATOM 0 H LYS A 27 0.661 -11.692 -10.764 1.00 1.63 H new ATOM 0 HA LYS A 27 -0.193 -13.656 -12.809 1.00 1.91 H new ATOM 0 HB2 LYS A 27 1.251 -14.483 -10.443 1.00 2.34 H new ATOM 0 HB3 LYS A 27 -0.422 -14.977 -10.269 1.00 2.34 H new ATOM 0 HG2 LYS A 27 0.991 -15.436 -12.918 1.00 2.50 H new ATOM 0 HG3 LYS A 27 1.290 -16.536 -11.587 1.00 2.50 H new ATOM 0 HD2 LYS A 27 -1.338 -16.630 -11.363 1.00 3.89 H new ATOM 0 HD3 LYS A 27 -1.355 -15.944 -12.976 1.00 3.89 H new ATOM 0 HE2 LYS A 27 -0.182 -17.826 -13.917 1.00 4.25 H new ATOM 0 HE3 LYS A 27 0.347 -18.393 -12.346 1.00 4.25 H new ATOM 0 HZ1 LYS A 27 -1.516 -19.701 -13.166 1.00 5.70 H new ATOM 0 HZ2 LYS A 27 -1.971 -18.859 -11.763 1.00 5.70 H new ATOM 0 HZ3 LYS A 27 -2.484 -18.311 -13.286 1.00 5.70 H new ATOM 428 N ASN A 28 -1.665 -12.992 -9.934 1.00 1.99 N ATOM 429 CA ASN A 28 -2.951 -12.527 -9.343 1.00 2.22 C ATOM 430 C ASN A 28 -3.035 -10.997 -9.453 1.00 2.00 C ATOM 431 O ASN A 28 -4.104 -10.420 -9.408 1.00 2.40 O ATOM 432 CB ASN A 28 -2.996 -12.932 -7.869 1.00 2.44 C ATOM 433 CG ASN A 28 -4.438 -13.244 -7.464 1.00 3.25 C ATOM 434 OD1 ASN A 28 -5.264 -12.356 -7.381 1.00 4.20 O ATOM 435 ND2 ASN A 28 -4.778 -14.477 -7.206 1.00 3.43 N ATOM 0 H ASN A 28 -0.978 -13.329 -9.259 1.00 1.99 H new ATOM 0 HA ASN A 28 -3.789 -12.977 -9.876 1.00 2.22 H new ATOM 0 HB2 ASN A 28 -2.364 -13.804 -7.702 1.00 2.44 H new ATOM 0 HB3 ASN A 28 -2.600 -12.128 -7.249 1.00 2.44 H new ATOM 0 HD21 ASN A 28 -5.737 -14.696 -6.935 1.00 3.43 H new ATOM 0 HD22 ASN A 28 -4.085 -15.222 -7.276 1.00 3.43 H new ATOM 442 N VAL A 29 -1.906 -10.342 -9.586 1.00 1.65 N ATOM 443 CA VAL A 29 -1.888 -8.859 -9.685 1.00 1.71 C ATOM 444 C VAL A 29 -0.806 -8.448 -10.695 1.00 2.27 C ATOM 445 O VAL A 29 0.026 -7.602 -10.423 1.00 3.40 O ATOM 446 CB VAL A 29 -1.527 -8.301 -8.321 1.00 1.64 C ATOM 447 CG1 VAL A 29 -1.561 -6.775 -8.351 1.00 1.89 C ATOM 448 CG2 VAL A 29 -2.514 -8.817 -7.271 1.00 1.61 C ATOM 0 H VAL A 29 -0.988 -10.783 -9.630 1.00 1.65 H new ATOM 0 HA VAL A 29 -2.858 -8.481 -10.006 1.00 1.71 H new ATOM 0 HB VAL A 29 -0.520 -8.629 -8.062 1.00 1.64 H new ATOM 0 HG11 VAL A 29 -1.300 -6.386 -7.367 1.00 1.89 H new ATOM 0 HG12 VAL A 29 -0.845 -6.410 -9.087 1.00 1.89 H new ATOM 0 HG13 VAL A 29 -2.562 -6.439 -8.621 1.00 1.89 H new ATOM 0 HG21 VAL A 29 -2.250 -8.413 -6.294 1.00 1.61 H new ATOM 0 HG22 VAL A 29 -3.523 -8.500 -7.534 1.00 1.61 H new ATOM 0 HG23 VAL A 29 -2.473 -9.906 -7.237 1.00 1.61 H new ATOM 458 N SER A 30 -0.794 -9.062 -11.844 1.00 2.04 N ATOM 459 CA SER A 30 0.246 -8.743 -12.865 1.00 2.75 C ATOM 460 C SER A 30 0.201 -7.242 -13.237 1.00 3.72 C ATOM 461 O SER A 30 0.695 -6.420 -12.490 1.00 4.95 O ATOM 462 CB SER A 30 0.011 -9.635 -14.076 1.00 2.79 C ATOM 463 OG SER A 30 0.972 -9.336 -15.078 1.00 3.50 O ATOM 0 H SER A 30 -1.465 -9.777 -12.123 1.00 2.04 H new ATOM 0 HA SER A 30 1.242 -8.936 -12.467 1.00 2.75 H new ATOM 0 HB2 SER A 30 0.084 -10.684 -13.788 1.00 2.79 H new ATOM 0 HB3 SER A 30 -0.996 -9.481 -14.465 1.00 2.79 H new ATOM 0 HG SER A 30 0.563 -9.435 -15.963 1.00 3.50 H new ATOM 469 N GLN A 31 -0.370 -6.864 -14.368 1.00 3.89 N ATOM 470 CA GLN A 31 -0.409 -5.409 -14.724 1.00 5.34 C ATOM 471 C GLN A 31 -1.770 -5.035 -15.330 1.00 5.09 C ATOM 472 O GLN A 31 -2.298 -3.973 -15.059 1.00 6.23 O ATOM 473 CB GLN A 31 0.736 -5.067 -15.696 1.00 6.85 C ATOM 474 CG GLN A 31 0.567 -5.787 -17.040 1.00 6.50 C ATOM 475 CD GLN A 31 0.971 -7.255 -16.899 1.00 6.31 C ATOM 476 OE1 GLN A 31 0.163 -8.141 -17.094 1.00 6.15 O ATOM 477 NE2 GLN A 31 2.200 -7.551 -16.571 1.00 7.07 N ATOM 0 H GLN A 31 -0.802 -7.493 -15.045 1.00 3.89 H new ATOM 0 HA GLN A 31 -0.274 -4.825 -13.814 1.00 5.34 H new ATOM 0 HB2 GLN A 31 0.766 -3.990 -15.860 1.00 6.85 H new ATOM 0 HB3 GLN A 31 1.690 -5.348 -15.249 1.00 6.85 H new ATOM 0 HG2 GLN A 31 -0.469 -5.716 -17.373 1.00 6.50 H new ATOM 0 HG3 GLN A 31 1.180 -5.304 -17.801 1.00 6.50 H new ATOM 0 HE21 GLN A 31 2.878 -6.806 -16.408 1.00 7.07 H new ATOM 0 HE22 GLN A 31 2.482 -8.527 -16.478 1.00 7.07 H new ATOM 486 N ALA A 32 -2.347 -5.893 -16.135 1.00 4.12 N ATOM 487 CA ALA A 32 -3.677 -5.581 -16.738 1.00 4.21 C ATOM 488 C ALA A 32 -4.752 -6.308 -15.936 1.00 3.06 C ATOM 489 O ALA A 32 -5.670 -6.891 -16.485 1.00 3.55 O ATOM 490 CB ALA A 32 -3.705 -6.054 -18.194 1.00 5.44 C ATOM 0 H ALA A 32 -1.953 -6.796 -16.400 1.00 4.12 H new ATOM 0 HA ALA A 32 -3.858 -4.506 -16.715 1.00 4.21 H new ATOM 0 HB1 ALA A 32 -4.676 -5.825 -18.632 1.00 5.44 H new ATOM 0 HB2 ALA A 32 -2.924 -5.544 -18.757 1.00 5.44 H new ATOM 0 HB3 ALA A 32 -3.535 -7.130 -18.230 1.00 5.44 H new ATOM 496 N ILE A 33 -4.632 -6.286 -14.634 1.00 2.13 N ATOM 497 CA ILE A 33 -5.630 -6.984 -13.769 1.00 1.54 C ATOM 498 C ILE A 33 -6.753 -6.013 -13.405 1.00 1.65 C ATOM 499 O ILE A 33 -6.634 -4.816 -13.588 1.00 2.28 O ATOM 500 CB ILE A 33 -4.972 -7.509 -12.478 1.00 2.29 C ATOM 501 CG1 ILE A 33 -3.496 -7.894 -12.718 1.00 2.71 C ATOM 502 CG2 ILE A 33 -5.736 -8.738 -11.987 1.00 3.40 C ATOM 503 CD1 ILE A 33 -3.387 -8.968 -13.802 1.00 2.56 C ATOM 0 H ILE A 33 -3.882 -5.812 -14.130 1.00 2.13 H new ATOM 0 HA ILE A 33 -6.032 -7.833 -14.322 1.00 1.54 H new ATOM 0 HB ILE A 33 -5.004 -6.716 -11.731 1.00 2.29 H new ATOM 0 HG12 ILE A 33 -2.928 -7.012 -13.015 1.00 2.71 H new ATOM 0 HG13 ILE A 33 -3.055 -8.260 -11.791 1.00 2.71 H new ATOM 0 HG21 ILE A 33 -5.274 -9.113 -11.074 1.00 3.40 H new ATOM 0 HG22 ILE A 33 -6.772 -8.466 -11.784 1.00 3.40 H new ATOM 0 HG23 ILE A 33 -5.708 -9.514 -12.752 1.00 3.40 H new ATOM 0 HD11 ILE A 33 -2.339 -9.225 -13.956 1.00 2.56 H new ATOM 0 HD12 ILE A 33 -3.936 -9.856 -13.491 1.00 2.56 H new ATOM 0 HD13 ILE A 33 -3.808 -8.589 -14.733 1.00 2.56 H new ATOM 515 N HIS A 34 -7.842 -6.522 -12.886 1.00 1.76 N ATOM 516 CA HIS A 34 -8.979 -5.634 -12.500 1.00 2.02 C ATOM 517 C HIS A 34 -8.691 -5.010 -11.134 1.00 1.73 C ATOM 518 O HIS A 34 -9.070 -3.887 -10.862 1.00 2.06 O ATOM 519 CB HIS A 34 -10.273 -6.452 -12.429 1.00 2.51 C ATOM 520 CG HIS A 34 -10.077 -7.638 -11.524 1.00 2.39 C ATOM 521 ND1 HIS A 34 -9.711 -8.884 -12.007 1.00 3.29 N ATOM 522 CD2 HIS A 34 -10.196 -7.784 -10.164 1.00 2.75 C ATOM 523 CE1 HIS A 34 -9.623 -9.718 -10.954 1.00 3.29 C ATOM 524 NE2 HIS A 34 -9.908 -9.098 -9.806 1.00 3.19 N ATOM 0 H HIS A 34 -7.992 -7.516 -12.713 1.00 1.76 H new ATOM 0 HA HIS A 34 -9.094 -4.846 -13.245 1.00 2.02 H new ATOM 0 HB2 HIS A 34 -11.087 -5.830 -12.057 1.00 2.51 H new ATOM 0 HB3 HIS A 34 -10.557 -6.787 -13.426 1.00 2.51 H new ATOM 0 HD2 HIS A 34 -10.471 -6.998 -9.476 1.00 2.75 H new ATOM 0 HE1 HIS A 34 -9.355 -10.761 -11.028 1.00 3.29 H new ATOM 0 HE2 HIS A 34 -9.913 -9.501 -8.869 1.00 3.19 H new ATOM 532 N LYS A 35 -8.017 -5.733 -10.275 1.00 1.43 N ATOM 533 CA LYS A 35 -7.693 -5.190 -8.924 1.00 1.24 C ATOM 534 C LYS A 35 -6.186 -4.925 -8.821 1.00 1.01 C ATOM 535 O LYS A 35 -5.628 -4.906 -7.739 1.00 1.20 O ATOM 536 CB LYS A 35 -8.106 -6.204 -7.857 1.00 1.30 C ATOM 537 CG LYS A 35 -9.547 -5.927 -7.422 1.00 2.19 C ATOM 538 CD LYS A 35 -9.546 -4.984 -6.216 1.00 2.95 C ATOM 539 CE LYS A 35 -9.525 -5.806 -4.926 1.00 3.29 C ATOM 540 NZ LYS A 35 -8.252 -6.578 -4.848 1.00 3.61 N ATOM 0 H LYS A 35 -7.677 -6.678 -10.453 1.00 1.43 H new ATOM 0 HA LYS A 35 -8.234 -4.256 -8.770 1.00 1.24 H new ATOM 0 HB2 LYS A 35 -8.022 -7.217 -8.251 1.00 1.30 H new ATOM 0 HB3 LYS A 35 -7.437 -6.139 -6.999 1.00 1.30 H new ATOM 0 HG2 LYS A 35 -10.107 -5.482 -8.244 1.00 2.19 H new ATOM 0 HG3 LYS A 35 -10.046 -6.861 -7.166 1.00 2.19 H new ATOM 0 HD2 LYS A 35 -8.677 -4.327 -6.255 1.00 2.95 H new ATOM 0 HD3 LYS A 35 -10.429 -4.346 -6.239 1.00 2.95 H new ATOM 0 HE2 LYS A 35 -9.617 -5.148 -4.062 1.00 3.29 H new ATOM 0 HE3 LYS A 35 -10.377 -6.486 -4.902 1.00 3.29 H new ATOM 0 HZ1 LYS A 35 -8.135 -6.959 -3.887 1.00 3.61 H new ATOM 0 HZ2 LYS A 35 -8.279 -7.362 -5.530 1.00 3.61 H new ATOM 0 HZ3 LYS A 35 -7.452 -5.952 -5.072 1.00 3.61 H new ATOM 554 N TYR A 36 -5.528 -4.717 -9.935 1.00 0.82 N ATOM 555 CA TYR A 36 -4.061 -4.447 -9.907 1.00 0.67 C ATOM 556 C TYR A 36 -3.837 -2.935 -9.711 1.00 0.62 C ATOM 557 O TYR A 36 -2.832 -2.519 -9.164 1.00 0.66 O ATOM 558 CB TYR A 36 -3.432 -4.974 -11.227 1.00 0.76 C ATOM 559 CG TYR A 36 -2.157 -4.233 -11.589 1.00 0.79 C ATOM 560 CD1 TYR A 36 -0.929 -4.648 -11.061 1.00 1.82 C ATOM 561 CD2 TYR A 36 -2.213 -3.132 -12.449 1.00 1.93 C ATOM 562 CE1 TYR A 36 0.244 -3.960 -11.394 1.00 1.87 C ATOM 563 CE2 TYR A 36 -1.041 -2.443 -12.782 1.00 2.18 C ATOM 564 CZ TYR A 36 0.187 -2.857 -12.255 1.00 1.34 C ATOM 565 OH TYR A 36 1.344 -2.178 -12.583 1.00 1.70 O ATOM 0 H TYR A 36 -5.947 -4.723 -10.865 1.00 0.82 H new ATOM 0 HA TYR A 36 -3.576 -4.963 -9.078 1.00 0.67 H new ATOM 0 HB2 TYR A 36 -3.216 -6.038 -11.126 1.00 0.76 H new ATOM 0 HB3 TYR A 36 -4.153 -4.871 -12.038 1.00 0.76 H new ATOM 0 HD1 TYR A 36 -0.886 -5.499 -10.397 1.00 1.82 H new ATOM 0 HD2 TYR A 36 -3.161 -2.813 -12.857 1.00 1.93 H new ATOM 0 HE1 TYR A 36 1.192 -4.280 -10.987 1.00 1.87 H new ATOM 0 HE2 TYR A 36 -1.085 -1.592 -13.446 1.00 2.18 H new ATOM 0 HH TYR A 36 1.129 -1.440 -13.191 1.00 1.70 H new ATOM 575 N ASN A 37 -4.764 -2.119 -10.146 1.00 0.63 N ATOM 576 CA ASN A 37 -4.607 -0.642 -9.978 1.00 0.65 C ATOM 577 C ASN A 37 -4.778 -0.252 -8.500 1.00 0.60 C ATOM 578 O ASN A 37 -4.472 0.859 -8.111 1.00 0.66 O ATOM 579 CB ASN A 37 -5.665 0.078 -10.817 1.00 0.76 C ATOM 580 CG ASN A 37 -5.156 1.469 -11.195 1.00 1.82 C ATOM 581 OD1 ASN A 37 -5.429 1.950 -12.377 1.00 3.15 O flip ATOM 582 ND2 ASN A 37 -4.505 2.125 -10.407 1.00 2.54 N flip ATOM 0 H ASN A 37 -5.623 -2.412 -10.611 1.00 0.63 H new ATOM 0 HA ASN A 37 -3.610 -0.352 -10.308 1.00 0.65 H new ATOM 0 HB2 ASN A 37 -5.885 -0.497 -11.716 1.00 0.76 H new ATOM 0 HB3 ASN A 37 -6.596 0.160 -10.256 1.00 0.76 H new ATOM 0 HD21 ASN A 37 -4.292 1.748 -9.483 1.00 2.54 H new ATOM 0 HD22 ASN A 37 -4.171 3.053 -10.669 1.00 2.54 H new ATOM 589 N ALA A 38 -5.268 -1.150 -7.676 1.00 0.58 N ATOM 590 CA ALA A 38 -5.464 -0.826 -6.230 1.00 0.59 C ATOM 591 C ALA A 38 -4.114 -0.547 -5.566 1.00 0.50 C ATOM 592 O ALA A 38 -3.847 0.545 -5.101 1.00 0.70 O ATOM 593 CB ALA A 38 -6.118 -2.024 -5.531 1.00 0.65 C ATOM 0 H ALA A 38 -5.540 -2.095 -7.946 1.00 0.58 H new ATOM 0 HA ALA A 38 -6.099 0.056 -6.146 1.00 0.59 H new ATOM 0 HB1 ALA A 38 -6.264 -1.794 -4.476 1.00 0.65 H new ATOM 0 HB2 ALA A 38 -7.083 -2.233 -5.994 1.00 0.65 H new ATOM 0 HB3 ALA A 38 -5.473 -2.898 -5.626 1.00 0.65 H new ATOM 599 N TYR A 39 -3.274 -1.539 -5.515 1.00 0.66 N ATOM 600 CA TYR A 39 -1.926 -1.383 -4.865 1.00 0.65 C ATOM 601 C TYR A 39 -1.099 -0.354 -5.627 1.00 0.66 C ATOM 602 O TYR A 39 -0.144 0.185 -5.108 1.00 0.65 O ATOM 603 CB TYR A 39 -1.160 -2.721 -4.858 1.00 0.70 C ATOM 604 CG TYR A 39 -2.125 -3.861 -4.674 1.00 0.82 C ATOM 605 CD1 TYR A 39 -2.701 -4.097 -3.428 1.00 2.04 C ATOM 606 CD2 TYR A 39 -2.470 -4.647 -5.771 1.00 1.35 C ATOM 607 CE1 TYR A 39 -3.628 -5.128 -3.276 1.00 2.18 C ATOM 608 CE2 TYR A 39 -3.390 -5.681 -5.625 1.00 1.36 C ATOM 609 CZ TYR A 39 -3.975 -5.925 -4.376 1.00 1.13 C ATOM 610 OH TYR A 39 -4.892 -6.947 -4.229 1.00 1.31 O ATOM 0 H TYR A 39 -3.457 -2.466 -5.898 1.00 0.66 H new ATOM 0 HA TYR A 39 -2.085 -1.055 -3.838 1.00 0.65 H new ATOM 0 HB2 TYR A 39 -0.614 -2.843 -5.793 1.00 0.70 H new ATOM 0 HB3 TYR A 39 -0.422 -2.724 -4.055 1.00 0.70 H new ATOM 0 HD1 TYR A 39 -2.430 -3.483 -2.582 1.00 2.04 H new ATOM 0 HD2 TYR A 39 -2.023 -4.454 -6.735 1.00 1.35 H new ATOM 0 HE1 TYR A 39 -4.078 -5.312 -2.312 1.00 2.18 H new ATOM 0 HE2 TYR A 39 -3.653 -6.295 -6.474 1.00 1.36 H new ATOM 0 HH TYR A 39 -5.019 -7.399 -5.089 1.00 1.31 H new ATOM 620 N ARG A 40 -1.452 -0.084 -6.853 1.00 0.72 N ATOM 621 CA ARG A 40 -0.690 0.902 -7.652 1.00 0.78 C ATOM 622 C ARG A 40 -1.072 2.317 -7.203 1.00 0.84 C ATOM 623 O ARG A 40 -0.264 3.228 -7.231 1.00 0.92 O ATOM 624 CB ARG A 40 -1.039 0.693 -9.123 1.00 0.83 C ATOM 625 CG ARG A 40 -0.114 1.541 -10.001 1.00 1.05 C ATOM 626 CD ARG A 40 1.305 0.959 -9.974 1.00 0.95 C ATOM 627 NE ARG A 40 2.308 2.069 -9.816 1.00 1.88 N ATOM 628 CZ ARG A 40 2.330 3.115 -10.616 1.00 2.46 C ATOM 629 NH1 ARG A 40 1.619 3.152 -11.717 1.00 3.06 N ATOM 630 NH2 ARG A 40 3.126 4.113 -10.338 1.00 3.68 N ATOM 0 H ARG A 40 -2.243 -0.511 -7.335 1.00 0.72 H new ATOM 0 HA ARG A 40 0.383 0.772 -7.510 1.00 0.78 H new ATOM 0 HB2 ARG A 40 -0.938 -0.360 -9.384 1.00 0.83 H new ATOM 0 HB3 ARG A 40 -2.078 0.968 -9.302 1.00 0.83 H new ATOM 0 HG2 ARG A 40 -0.488 1.563 -11.024 1.00 1.05 H new ATOM 0 HG3 ARG A 40 -0.102 2.571 -9.644 1.00 1.05 H new ATOM 0 HD2 ARG A 40 1.401 0.250 -9.152 1.00 0.95 H new ATOM 0 HD3 ARG A 40 1.500 0.409 -10.894 1.00 0.95 H new ATOM 0 HE ARG A 40 2.994 2.010 -9.064 1.00 1.88 H new ATOM 0 HH11 ARG A 40 1.031 2.358 -11.971 1.00 3.06 H new ATOM 0 HH12 ARG A 40 1.654 3.974 -12.319 1.00 3.06 H new ATOM 0 HH21 ARG A 40 3.720 4.076 -9.510 1.00 3.68 H new ATOM 0 HH22 ARG A 40 3.153 4.929 -10.949 1.00 3.68 H new ATOM 644 N LYS A 41 -2.296 2.499 -6.775 1.00 0.92 N ATOM 645 CA LYS A 41 -2.742 3.846 -6.311 1.00 1.01 C ATOM 646 C LYS A 41 -2.201 4.110 -4.901 1.00 0.78 C ATOM 647 O LYS A 41 -1.543 5.106 -4.658 1.00 0.64 O ATOM 648 CB LYS A 41 -4.273 3.895 -6.291 1.00 1.24 C ATOM 649 CG LYS A 41 -4.746 5.279 -6.742 1.00 1.81 C ATOM 650 CD LYS A 41 -6.098 5.153 -7.448 1.00 2.25 C ATOM 651 CE LYS A 41 -6.286 6.334 -8.403 1.00 2.53 C ATOM 652 NZ LYS A 41 -7.741 6.598 -8.586 1.00 3.48 N ATOM 0 H LYS A 41 -3.007 1.769 -6.727 1.00 0.92 H new ATOM 0 HA LYS A 41 -2.362 4.609 -6.991 1.00 1.01 H new ATOM 0 HB2 LYS A 41 -4.681 3.128 -6.949 1.00 1.24 H new ATOM 0 HB3 LYS A 41 -4.641 3.683 -5.287 1.00 1.24 H new ATOM 0 HG2 LYS A 41 -4.834 5.943 -5.882 1.00 1.81 H new ATOM 0 HG3 LYS A 41 -4.013 5.724 -7.415 1.00 1.81 H new ATOM 0 HD2 LYS A 41 -6.146 4.214 -8.000 1.00 2.25 H new ATOM 0 HD3 LYS A 41 -6.903 5.133 -6.714 1.00 2.25 H new ATOM 0 HE2 LYS A 41 -5.792 7.220 -8.004 1.00 2.53 H new ATOM 0 HE3 LYS A 41 -5.821 6.116 -9.365 1.00 2.53 H new ATOM 0 HZ1 LYS A 41 -7.869 7.401 -9.235 1.00 3.48 H new ATOM 0 HZ2 LYS A 41 -8.200 5.754 -8.984 1.00 3.48 H new ATOM 0 HZ3 LYS A 41 -8.171 6.824 -7.667 1.00 3.48 H new ATOM 666 N ALA A 42 -2.469 3.224 -3.968 1.00 0.84 N ATOM 667 CA ALA A 42 -1.967 3.425 -2.571 1.00 0.74 C ATOM 668 C ALA A 42 -0.445 3.485 -2.587 1.00 0.61 C ATOM 669 O ALA A 42 0.159 4.266 -1.882 1.00 0.69 O ATOM 670 CB ALA A 42 -2.417 2.261 -1.680 1.00 0.92 C ATOM 0 H ALA A 42 -3.012 2.373 -4.114 1.00 0.84 H new ATOM 0 HA ALA A 42 -2.371 4.357 -2.176 1.00 0.74 H new ATOM 0 HB1 ALA A 42 -2.048 2.415 -0.666 1.00 0.92 H new ATOM 0 HB2 ALA A 42 -3.506 2.213 -1.666 1.00 0.92 H new ATOM 0 HB3 ALA A 42 -2.018 1.326 -2.073 1.00 0.92 H new ATOM 676 N ALA A 43 0.172 2.669 -3.397 1.00 0.64 N ATOM 677 CA ALA A 43 1.661 2.658 -3.487 1.00 0.64 C ATOM 678 C ALA A 43 2.169 4.046 -3.883 1.00 0.65 C ATOM 679 O ALA A 43 3.196 4.493 -3.413 1.00 0.67 O ATOM 680 CB ALA A 43 2.088 1.644 -4.542 1.00 0.90 C ATOM 0 H ALA A 43 -0.298 2.001 -4.008 1.00 0.64 H new ATOM 0 HA ALA A 43 2.081 2.387 -2.518 1.00 0.64 H new ATOM 0 HB1 ALA A 43 3.176 1.630 -4.614 1.00 0.90 H new ATOM 0 HB2 ALA A 43 1.730 0.654 -4.261 1.00 0.90 H new ATOM 0 HB3 ALA A 43 1.664 1.922 -5.507 1.00 0.90 H new ATOM 686 N SER A 44 1.454 4.732 -4.741 1.00 0.69 N ATOM 687 CA SER A 44 1.894 6.096 -5.160 1.00 0.76 C ATOM 688 C SER A 44 1.937 7.011 -3.932 1.00 0.56 C ATOM 689 O SER A 44 2.858 7.784 -3.756 1.00 0.52 O ATOM 690 CB SER A 44 0.910 6.660 -6.189 1.00 1.02 C ATOM 691 OG SER A 44 -0.284 7.065 -5.530 1.00 2.96 O ATOM 0 H SER A 44 0.587 4.406 -5.168 1.00 0.69 H new ATOM 0 HA SER A 44 2.886 6.039 -5.608 1.00 0.76 H new ATOM 0 HB2 SER A 44 1.357 7.508 -6.709 1.00 1.02 H new ATOM 0 HB3 SER A 44 0.684 5.906 -6.943 1.00 1.02 H new ATOM 0 HG SER A 44 -0.946 6.344 -5.581 1.00 2.96 H new ATOM 697 N VAL A 45 0.943 6.921 -3.083 1.00 0.55 N ATOM 698 CA VAL A 45 0.916 7.780 -1.860 1.00 0.51 C ATOM 699 C VAL A 45 1.602 7.067 -0.675 1.00 0.53 C ATOM 700 O VAL A 45 1.667 7.610 0.411 1.00 0.94 O ATOM 701 CB VAL A 45 -0.546 8.103 -1.504 1.00 0.64 C ATOM 702 CG1 VAL A 45 -1.309 6.806 -1.210 1.00 0.68 C ATOM 703 CG2 VAL A 45 -0.600 9.027 -0.276 1.00 0.71 C ATOM 0 H VAL A 45 0.149 6.289 -3.185 1.00 0.55 H new ATOM 0 HA VAL A 45 1.460 8.703 -2.062 1.00 0.51 H new ATOM 0 HB VAL A 45 -1.011 8.610 -2.350 1.00 0.64 H new ATOM 0 HG11 VAL A 45 -2.343 7.041 -0.959 1.00 0.68 H new ATOM 0 HG12 VAL A 45 -1.287 6.163 -2.090 1.00 0.68 H new ATOM 0 HG13 VAL A 45 -0.840 6.290 -0.372 1.00 0.68 H new ATOM 0 HG21 VAL A 45 -1.639 9.249 -0.033 1.00 0.71 H new ATOM 0 HG22 VAL A 45 -0.127 8.533 0.572 1.00 0.71 H new ATOM 0 HG23 VAL A 45 -0.072 9.955 -0.496 1.00 0.71 H new ATOM 713 N ILE A 46 2.104 5.866 -0.862 1.00 0.43 N ATOM 714 CA ILE A 46 2.769 5.146 0.270 1.00 0.70 C ATOM 715 C ILE A 46 4.272 5.470 0.267 1.00 0.55 C ATOM 716 O ILE A 46 4.831 5.865 1.274 1.00 0.66 O ATOM 717 CB ILE A 46 2.471 3.616 0.142 1.00 1.06 C ATOM 718 CG1 ILE A 46 1.734 3.147 1.401 1.00 1.12 C ATOM 719 CG2 ILE A 46 3.732 2.752 -0.049 1.00 2.40 C ATOM 720 CD1 ILE A 46 0.277 3.610 1.340 1.00 1.07 C ATOM 0 H ILE A 46 2.081 5.357 -1.746 1.00 0.43 H new ATOM 0 HA ILE A 46 2.376 5.474 1.232 1.00 0.70 H new ATOM 0 HB ILE A 46 1.864 3.488 -0.754 1.00 1.06 H new ATOM 0 HG12 ILE A 46 1.779 2.061 1.478 1.00 1.12 H new ATOM 0 HG13 ILE A 46 2.218 3.550 2.290 1.00 1.12 H new ATOM 0 HG21 ILE A 46 3.446 1.703 -0.130 1.00 2.40 H new ATOM 0 HG22 ILE A 46 4.249 3.058 -0.959 1.00 2.40 H new ATOM 0 HG23 ILE A 46 4.395 2.882 0.806 1.00 2.40 H new ATOM 0 HD11 ILE A 46 -0.248 3.277 2.235 1.00 1.07 H new ATOM 0 HD12 ILE A 46 0.243 4.698 1.283 1.00 1.07 H new ATOM 0 HD13 ILE A 46 -0.203 3.185 0.458 1.00 1.07 H new ATOM 732 N ALA A 47 4.923 5.293 -0.854 1.00 0.47 N ATOM 733 CA ALA A 47 6.387 5.576 -0.934 1.00 0.44 C ATOM 734 C ALA A 47 6.648 7.032 -0.545 1.00 0.49 C ATOM 735 O ALA A 47 7.608 7.336 0.140 1.00 0.60 O ATOM 736 CB ALA A 47 6.873 5.324 -2.359 1.00 0.59 C ATOM 0 H ALA A 47 4.501 4.963 -1.722 1.00 0.47 H new ATOM 0 HA ALA A 47 6.925 4.921 -0.249 1.00 0.44 H new ATOM 0 HB1 ALA A 47 7.942 5.530 -2.421 1.00 0.59 H new ATOM 0 HB2 ALA A 47 6.688 4.284 -2.628 1.00 0.59 H new ATOM 0 HB3 ALA A 47 6.337 5.978 -3.047 1.00 0.59 H new ATOM 742 N LYS A 48 5.790 7.932 -0.960 1.00 0.55 N ATOM 743 CA LYS A 48 5.977 9.363 -0.594 1.00 0.77 C ATOM 744 C LYS A 48 5.706 9.522 0.903 1.00 0.86 C ATOM 745 O LYS A 48 6.283 10.370 1.557 1.00 1.02 O ATOM 746 CB LYS A 48 5.016 10.245 -1.400 1.00 0.89 C ATOM 747 CG LYS A 48 3.576 9.772 -1.199 1.00 3.23 C ATOM 748 CD LYS A 48 2.613 10.861 -1.678 1.00 3.81 C ATOM 749 CE LYS A 48 2.669 10.962 -3.204 1.00 4.11 C ATOM 750 NZ LYS A 48 1.316 11.295 -3.729 1.00 5.51 N ATOM 0 H LYS A 48 4.971 7.734 -1.535 1.00 0.55 H new ATOM 0 HA LYS A 48 6.997 9.672 -0.821 1.00 0.77 H new ATOM 0 HB2 LYS A 48 5.113 11.284 -1.085 1.00 0.89 H new ATOM 0 HB3 LYS A 48 5.275 10.207 -2.458 1.00 0.89 H new ATOM 0 HG2 LYS A 48 3.404 8.849 -1.753 1.00 3.23 H new ATOM 0 HG3 LYS A 48 3.398 9.550 -0.147 1.00 3.23 H new ATOM 0 HD2 LYS A 48 1.598 10.630 -1.356 1.00 3.81 H new ATOM 0 HD3 LYS A 48 2.879 11.818 -1.230 1.00 3.81 H new ATOM 0 HE2 LYS A 48 3.385 11.728 -3.502 1.00 4.11 H new ATOM 0 HE3 LYS A 48 3.014 10.020 -3.629 1.00 4.11 H new ATOM 0 HZ1 LYS A 48 1.353 11.364 -4.766 1.00 5.51 H new ATOM 0 HZ2 LYS A 48 0.644 10.550 -3.455 1.00 5.51 H new ATOM 0 HZ3 LYS A 48 1.004 12.205 -3.333 1.00 5.51 H new ATOM 764 N TYR A 49 4.843 8.699 1.452 1.00 0.89 N ATOM 765 CA TYR A 49 4.547 8.787 2.910 1.00 1.03 C ATOM 766 C TYR A 49 5.790 8.279 3.672 1.00 0.96 C ATOM 767 O TYR A 49 6.286 7.217 3.354 1.00 1.30 O ATOM 768 CB TYR A 49 3.329 7.898 3.240 1.00 1.30 C ATOM 769 CG TYR A 49 2.402 8.494 4.309 1.00 1.05 C ATOM 770 CD1 TYR A 49 2.555 9.807 4.806 1.00 1.64 C ATOM 771 CD2 TYR A 49 1.362 7.696 4.804 1.00 2.53 C ATOM 772 CE1 TYR A 49 1.679 10.300 5.779 1.00 1.80 C ATOM 773 CE2 TYR A 49 0.488 8.195 5.777 1.00 2.59 C ATOM 774 CZ TYR A 49 0.647 9.495 6.264 1.00 1.41 C ATOM 775 OH TYR A 49 -0.215 9.982 7.226 1.00 1.82 O ATOM 0 H TYR A 49 4.333 7.972 0.950 1.00 0.89 H new ATOM 0 HA TYR A 49 4.319 9.813 3.198 1.00 1.03 H new ATOM 0 HB2 TYR A 49 2.756 7.729 2.328 1.00 1.30 H new ATOM 0 HB3 TYR A 49 3.682 6.924 3.580 1.00 1.30 H new ATOM 0 HD1 TYR A 49 3.352 10.433 4.433 1.00 1.64 H new ATOM 0 HD2 TYR A 49 1.234 6.690 4.433 1.00 2.53 H new ATOM 0 HE1 TYR A 49 1.801 11.305 6.155 1.00 1.80 H new ATOM 0 HE2 TYR A 49 -0.311 7.573 6.152 1.00 2.59 H new ATOM 0 HH TYR A 49 0.017 10.911 7.433 1.00 1.82 H new ATOM 785 N PRO A 50 6.297 9.043 4.627 1.00 0.79 N ATOM 786 CA PRO A 50 7.506 8.639 5.366 1.00 0.89 C ATOM 787 C PRO A 50 7.218 7.579 6.443 1.00 1.26 C ATOM 788 O PRO A 50 8.071 7.328 7.276 1.00 1.67 O ATOM 789 CB PRO A 50 7.989 9.934 6.040 1.00 1.53 C ATOM 790 CG PRO A 50 6.858 10.983 5.901 1.00 1.55 C ATOM 791 CD PRO A 50 5.749 10.353 5.048 1.00 1.01 C ATOM 0 HA PRO A 50 8.237 8.189 4.695 1.00 0.89 H new ATOM 0 HB2 PRO A 50 8.220 9.756 7.090 1.00 1.53 H new ATOM 0 HB3 PRO A 50 8.904 10.293 5.569 1.00 1.53 H new ATOM 0 HG2 PRO A 50 6.474 11.266 6.881 1.00 1.55 H new ATOM 0 HG3 PRO A 50 7.234 11.892 5.431 1.00 1.55 H new ATOM 0 HD2 PRO A 50 4.829 10.232 5.621 1.00 1.01 H new ATOM 0 HD3 PRO A 50 5.509 10.977 4.187 1.00 1.01 H new ATOM 799 N HIS A 51 6.050 6.960 6.469 1.00 1.55 N ATOM 800 CA HIS A 51 5.813 5.949 7.549 1.00 2.51 C ATOM 801 C HIS A 51 4.610 5.047 7.273 1.00 1.65 C ATOM 802 O HIS A 51 3.573 5.469 6.803 1.00 2.83 O ATOM 803 CB HIS A 51 5.594 6.684 8.873 1.00 5.10 C ATOM 804 CG HIS A 51 6.047 5.822 10.017 1.00 6.39 C ATOM 805 ND1 HIS A 51 5.353 5.186 11.016 1.00 6.70 N flip ATOM 806 CD2 HIS A 51 7.384 5.538 10.245 1.00 8.09 C flip ATOM 807 CE1 HIS A 51 6.243 4.517 11.853 1.00 8.44 C flip ATOM 808 NE2 HIS A 51 7.453 4.763 11.343 1.00 9.37 N flip ATOM 0 H HIS A 51 5.282 7.107 5.814 1.00 1.55 H new ATOM 0 HA HIS A 51 6.692 5.306 7.590 1.00 2.51 H new ATOM 0 HB2 HIS A 51 6.147 7.624 8.873 1.00 5.10 H new ATOM 0 HB3 HIS A 51 4.540 6.934 8.990 1.00 5.10 H new ATOM 0 HD1 HIS A 51 4.339 5.201 11.128 1.00 6.70 H new ATOM 0 HD2 HIS A 51 8.219 5.877 9.650 1.00 8.09 H new ATOM 0 HE1 HIS A 51 6.006 3.927 12.726 1.00 8.44 H new ATOM 816 N LYS A 52 4.772 3.794 7.606 1.00 1.36 N ATOM 817 CA LYS A 52 3.686 2.786 7.430 1.00 2.54 C ATOM 818 C LYS A 52 2.510 3.089 8.368 1.00 2.64 C ATOM 819 O LYS A 52 1.450 2.529 8.206 1.00 4.32 O ATOM 820 CB LYS A 52 4.238 1.400 7.781 1.00 3.96 C ATOM 821 CG LYS A 52 4.918 1.442 9.162 1.00 3.57 C ATOM 822 CD LYS A 52 6.326 0.846 9.066 1.00 4.31 C ATOM 823 CE LYS A 52 6.970 0.830 10.453 1.00 4.48 C ATOM 824 NZ LYS A 52 8.310 0.182 10.370 1.00 5.68 N ATOM 0 H LYS A 52 5.633 3.418 8.002 1.00 1.36 H new ATOM 0 HA LYS A 52 3.339 2.820 6.397 1.00 2.54 H new ATOM 0 HB2 LYS A 52 3.431 0.668 7.785 1.00 3.96 H new ATOM 0 HB3 LYS A 52 4.953 1.081 7.023 1.00 3.96 H new ATOM 0 HG2 LYS A 52 4.972 2.470 9.520 1.00 3.57 H new ATOM 0 HG3 LYS A 52 4.325 0.883 9.886 1.00 3.57 H new ATOM 0 HD2 LYS A 52 6.277 -0.166 8.665 1.00 4.31 H new ATOM 0 HD3 LYS A 52 6.934 1.433 8.378 1.00 4.31 H new ATOM 0 HE2 LYS A 52 7.069 1.847 10.832 1.00 4.48 H new ATOM 0 HE3 LYS A 52 6.335 0.289 11.155 1.00 4.48 H new ATOM 0 HZ1 LYS A 52 8.798 0.276 11.284 1.00 5.68 H new ATOM 0 HZ2 LYS A 52 8.195 -0.826 10.141 1.00 5.68 H new ATOM 0 HZ3 LYS A 52 8.873 0.643 9.628 1.00 5.68 H new ATOM 838 N ILE A 53 2.711 3.950 9.348 1.00 1.52 N ATOM 839 CA ILE A 53 1.637 4.313 10.339 1.00 1.65 C ATOM 840 C ILE A 53 1.091 3.063 11.057 1.00 1.95 C ATOM 841 O ILE A 53 0.798 2.049 10.455 1.00 2.38 O ATOM 842 CB ILE A 53 0.500 5.137 9.673 1.00 1.81 C ATOM 843 CG1 ILE A 53 -0.429 4.273 8.806 1.00 2.37 C ATOM 844 CG2 ILE A 53 1.117 6.224 8.791 1.00 1.85 C ATOM 845 CD1 ILE A 53 -1.792 4.955 8.687 1.00 3.07 C ATOM 0 H ILE A 53 3.599 4.428 9.505 1.00 1.52 H new ATOM 0 HA ILE A 53 2.092 4.950 11.097 1.00 1.65 H new ATOM 0 HB ILE A 53 -0.098 5.568 10.476 1.00 1.81 H new ATOM 0 HG12 ILE A 53 0.006 4.131 7.817 1.00 2.37 H new ATOM 0 HG13 ILE A 53 -0.542 3.284 9.249 1.00 2.37 H new ATOM 0 HG21 ILE A 53 0.324 6.805 8.321 1.00 1.85 H new ATOM 0 HG22 ILE A 53 1.735 6.881 9.403 1.00 1.85 H new ATOM 0 HG23 ILE A 53 1.733 5.761 8.020 1.00 1.85 H new ATOM 0 HD11 ILE A 53 -2.452 4.343 8.072 1.00 3.07 H new ATOM 0 HD12 ILE A 53 -2.227 5.074 9.679 1.00 3.07 H new ATOM 0 HD13 ILE A 53 -1.670 5.934 8.225 1.00 3.07 H new ATOM 857 N LYS A 54 0.968 3.137 12.359 1.00 2.11 N ATOM 858 CA LYS A 54 0.455 1.971 13.139 1.00 2.59 C ATOM 859 C LYS A 54 -1.066 2.062 13.265 1.00 2.40 C ATOM 860 O LYS A 54 -1.755 1.060 13.292 1.00 3.05 O ATOM 861 CB LYS A 54 1.082 1.978 14.535 1.00 3.19 C ATOM 862 CG LYS A 54 2.561 1.602 14.432 1.00 3.87 C ATOM 863 CD LYS A 54 2.998 0.893 15.717 1.00 4.99 C ATOM 864 CE LYS A 54 3.460 1.930 16.741 1.00 4.84 C ATOM 865 NZ LYS A 54 4.429 1.300 17.682 1.00 5.87 N ATOM 0 H LYS A 54 1.202 3.959 12.916 1.00 2.11 H new ATOM 0 HA LYS A 54 0.719 1.048 12.623 1.00 2.59 H new ATOM 0 HB2 LYS A 54 0.977 2.964 14.987 1.00 3.19 H new ATOM 0 HB3 LYS A 54 0.561 1.273 15.183 1.00 3.19 H new ATOM 0 HG2 LYS A 54 2.723 0.952 13.572 1.00 3.87 H new ATOM 0 HG3 LYS A 54 3.164 2.496 14.274 1.00 3.87 H new ATOM 0 HD2 LYS A 54 2.171 0.310 16.122 1.00 4.99 H new ATOM 0 HD3 LYS A 54 3.806 0.194 15.502 1.00 4.99 H new ATOM 0 HE2 LYS A 54 3.926 2.775 16.234 1.00 4.84 H new ATOM 0 HE3 LYS A 54 2.604 2.321 17.291 1.00 4.84 H new ATOM 0 HZ1 LYS A 54 4.744 2.005 18.379 1.00 5.87 H new ATOM 0 HZ2 LYS A 54 3.970 0.507 18.174 1.00 5.87 H new ATOM 0 HZ3 LYS A 54 5.250 0.948 17.150 1.00 5.87 H new ATOM 879 N SER A 55 -1.591 3.258 13.347 1.00 1.92 N ATOM 880 CA SER A 55 -3.068 3.428 13.479 1.00 2.03 C ATOM 881 C SER A 55 -3.768 2.849 12.248 1.00 1.94 C ATOM 882 O SER A 55 -4.670 2.040 12.362 1.00 3.38 O ATOM 883 CB SER A 55 -3.397 4.916 13.598 1.00 2.20 C ATOM 884 OG SER A 55 -3.171 5.341 14.935 1.00 2.91 O ATOM 0 H SER A 55 -1.057 4.127 13.328 1.00 1.92 H new ATOM 0 HA SER A 55 -3.414 2.903 14.369 1.00 2.03 H new ATOM 0 HB2 SER A 55 -2.778 5.493 12.911 1.00 2.20 H new ATOM 0 HB3 SER A 55 -4.435 5.094 13.318 1.00 2.20 H new ATOM 0 HG SER A 55 -3.379 6.295 15.015 1.00 2.91 H new ATOM 890 N GLY A 56 -3.361 3.259 11.073 1.00 1.35 N ATOM 891 CA GLY A 56 -4.003 2.738 9.829 1.00 1.34 C ATOM 892 C GLY A 56 -5.022 3.757 9.315 1.00 1.14 C ATOM 893 O GLY A 56 -5.277 3.846 8.129 1.00 1.26 O ATOM 0 H GLY A 56 -2.611 3.933 10.922 1.00 1.35 H new ATOM 0 HA2 GLY A 56 -3.246 2.549 9.068 1.00 1.34 H new ATOM 0 HA3 GLY A 56 -4.495 1.787 10.032 1.00 1.34 H new ATOM 897 N ALA A 57 -5.605 4.525 10.201 1.00 1.15 N ATOM 898 CA ALA A 57 -6.612 5.542 9.776 1.00 1.24 C ATOM 899 C ALA A 57 -5.938 6.603 8.899 1.00 1.17 C ATOM 900 O ALA A 57 -6.574 7.224 8.065 1.00 1.25 O ATOM 901 CB ALA A 57 -7.213 6.211 11.013 1.00 1.49 C ATOM 0 H ALA A 57 -5.425 4.490 11.204 1.00 1.15 H new ATOM 0 HA ALA A 57 -7.401 5.051 9.206 1.00 1.24 H new ATOM 0 HB1 ALA A 57 -7.948 6.954 10.704 1.00 1.49 H new ATOM 0 HB2 ALA A 57 -7.697 5.458 11.635 1.00 1.49 H new ATOM 0 HB3 ALA A 57 -6.422 6.699 11.583 1.00 1.49 H new ATOM 907 N GLU A 58 -4.659 6.817 9.082 1.00 1.16 N ATOM 908 CA GLU A 58 -3.945 7.839 8.262 1.00 1.28 C ATOM 909 C GLU A 58 -3.909 7.384 6.799 1.00 1.01 C ATOM 910 O GLU A 58 -3.889 8.191 5.890 1.00 0.94 O ATOM 911 CB GLU A 58 -2.515 8.015 8.795 1.00 1.55 C ATOM 912 CG GLU A 58 -2.348 9.418 9.386 1.00 2.44 C ATOM 913 CD GLU A 58 -1.319 9.376 10.517 1.00 2.53 C ATOM 914 OE1 GLU A 58 -1.410 8.481 11.342 1.00 3.10 O ATOM 915 OE2 GLU A 58 -0.458 10.238 10.538 1.00 3.28 O ATOM 0 H GLU A 58 -4.080 6.327 9.764 1.00 1.16 H new ATOM 0 HA GLU A 58 -4.468 8.793 8.326 1.00 1.28 H new ATOM 0 HB2 GLU A 58 -2.306 7.263 9.556 1.00 1.55 H new ATOM 0 HB3 GLU A 58 -1.796 7.862 7.990 1.00 1.55 H new ATOM 0 HG2 GLU A 58 -2.025 10.114 8.612 1.00 2.44 H new ATOM 0 HG3 GLU A 58 -3.304 9.782 9.763 1.00 2.44 H new ATOM 922 N ALA A 59 -3.912 6.093 6.562 1.00 0.95 N ATOM 923 CA ALA A 59 -3.887 5.584 5.154 1.00 0.82 C ATOM 924 C ALA A 59 -5.076 6.162 4.376 1.00 0.84 C ATOM 925 O ALA A 59 -5.027 6.306 3.169 1.00 0.88 O ATOM 926 CB ALA A 59 -3.978 4.057 5.162 1.00 0.99 C ATOM 0 H ALA A 59 -3.931 5.371 7.282 1.00 0.95 H new ATOM 0 HA ALA A 59 -2.957 5.891 4.675 1.00 0.82 H new ATOM 0 HB1 ALA A 59 -3.960 3.686 4.137 1.00 0.99 H new ATOM 0 HB2 ALA A 59 -3.132 3.645 5.712 1.00 0.99 H new ATOM 0 HB3 ALA A 59 -4.907 3.750 5.642 1.00 0.99 H new ATOM 932 N LYS A 60 -6.140 6.496 5.066 1.00 1.01 N ATOM 933 CA LYS A 60 -7.333 7.070 4.383 1.00 1.23 C ATOM 934 C LYS A 60 -7.210 8.595 4.333 1.00 1.09 C ATOM 935 O LYS A 60 -7.721 9.233 3.431 1.00 1.33 O ATOM 936 CB LYS A 60 -8.596 6.683 5.154 1.00 1.55 C ATOM 937 CG LYS A 60 -9.826 6.941 4.281 1.00 2.70 C ATOM 938 CD LYS A 60 -10.958 6.001 4.701 1.00 2.97 C ATOM 939 CE LYS A 60 -11.636 6.547 5.959 1.00 3.00 C ATOM 940 NZ LYS A 60 -11.023 5.920 7.164 1.00 2.91 N ATOM 0 H LYS A 60 -6.230 6.394 6.077 1.00 1.01 H new ATOM 0 HA LYS A 60 -7.394 6.679 3.367 1.00 1.23 H new ATOM 0 HB2 LYS A 60 -8.553 5.632 5.439 1.00 1.55 H new ATOM 0 HB3 LYS A 60 -8.664 7.261 6.076 1.00 1.55 H new ATOM 0 HG2 LYS A 60 -10.145 7.979 4.381 1.00 2.70 H new ATOM 0 HG3 LYS A 60 -9.579 6.783 3.231 1.00 2.70 H new ATOM 0 HD2 LYS A 60 -11.685 5.908 3.895 1.00 2.97 H new ATOM 0 HD3 LYS A 60 -10.564 5.003 4.892 1.00 2.97 H new ATOM 0 HE2 LYS A 60 -11.526 7.631 6.004 1.00 3.00 H new ATOM 0 HE3 LYS A 60 -12.705 6.336 5.930 1.00 3.00 H new ATOM 0 HZ1 LYS A 60 -11.650 6.056 7.983 1.00 2.91 H new ATOM 0 HZ2 LYS A 60 -10.889 4.902 6.996 1.00 2.91 H new ATOM 0 HZ3 LYS A 60 -10.102 6.363 7.356 1.00 2.91 H new ATOM 954 N LYS A 61 -6.538 9.188 5.294 1.00 0.94 N ATOM 955 CA LYS A 61 -6.388 10.677 5.298 1.00 1.16 C ATOM 956 C LYS A 61 -5.680 11.136 4.011 1.00 1.38 C ATOM 957 O LYS A 61 -5.844 12.257 3.570 1.00 1.74 O ATOM 958 CB LYS A 61 -5.601 11.127 6.554 1.00 1.22 C ATOM 959 CG LYS A 61 -4.081 10.872 6.413 1.00 1.33 C ATOM 960 CD LYS A 61 -3.327 12.205 6.436 1.00 1.51 C ATOM 961 CE LYS A 61 -2.085 12.108 5.549 1.00 2.02 C ATOM 962 NZ LYS A 61 -1.390 13.426 5.519 1.00 2.92 N ATOM 0 H LYS A 61 -6.089 8.705 6.072 1.00 0.94 H new ATOM 0 HA LYS A 61 -7.375 11.139 5.330 1.00 1.16 H new ATOM 0 HB2 LYS A 61 -5.775 12.189 6.729 1.00 1.22 H new ATOM 0 HB3 LYS A 61 -5.978 10.594 7.427 1.00 1.22 H new ATOM 0 HG2 LYS A 61 -3.733 10.233 7.225 1.00 1.33 H new ATOM 0 HG3 LYS A 61 -3.876 10.344 5.482 1.00 1.33 H new ATOM 0 HD2 LYS A 61 -3.976 13.007 6.084 1.00 1.51 H new ATOM 0 HD3 LYS A 61 -3.038 12.453 7.457 1.00 1.51 H new ATOM 0 HE2 LYS A 61 -1.413 11.339 5.930 1.00 2.02 H new ATOM 0 HE3 LYS A 61 -2.369 11.812 4.539 1.00 2.02 H new ATOM 0 HZ1 LYS A 61 -0.545 13.359 4.916 1.00 2.92 H new ATOM 0 HZ2 LYS A 61 -2.033 14.149 5.137 1.00 2.92 H new ATOM 0 HZ3 LYS A 61 -1.106 13.691 6.484 1.00 2.92 H new ATOM 976 N LEU A 62 -4.890 10.273 3.422 1.00 1.29 N ATOM 977 CA LEU A 62 -4.158 10.644 2.177 1.00 1.62 C ATOM 978 C LEU A 62 -5.175 10.866 1.034 1.00 1.97 C ATOM 979 O LEU A 62 -5.824 9.924 0.624 1.00 2.04 O ATOM 980 CB LEU A 62 -3.205 9.507 1.794 1.00 1.64 C ATOM 981 CG LEU A 62 -2.283 9.171 2.975 1.00 1.38 C ATOM 982 CD1 LEU A 62 -1.774 7.732 2.838 1.00 1.44 C ATOM 983 CD2 LEU A 62 -1.091 10.133 2.987 1.00 1.30 C ATOM 0 H LEU A 62 -4.721 9.323 3.754 1.00 1.29 H new ATOM 0 HA LEU A 62 -3.589 11.559 2.344 1.00 1.62 H new ATOM 0 HB2 LEU A 62 -3.776 8.625 1.506 1.00 1.64 H new ATOM 0 HB3 LEU A 62 -2.609 9.797 0.929 1.00 1.64 H new ATOM 0 HG LEU A 62 -2.841 9.272 3.906 1.00 1.38 H new ATOM 0 HD11 LEU A 62 -1.120 7.496 3.677 1.00 1.44 H new ATOM 0 HD12 LEU A 62 -2.621 7.045 2.834 1.00 1.44 H new ATOM 0 HD13 LEU A 62 -1.219 7.630 1.906 1.00 1.44 H new ATOM 0 HD21 LEU A 62 -0.438 9.893 3.826 1.00 1.30 H new ATOM 0 HD22 LEU A 62 -0.535 10.035 2.055 1.00 1.30 H new ATOM 0 HD23 LEU A 62 -1.451 11.157 3.089 1.00 1.30 H new ATOM 995 N PRO A 63 -5.307 12.094 0.542 1.00 2.34 N ATOM 996 CA PRO A 63 -6.261 12.379 -0.546 1.00 2.70 C ATOM 997 C PRO A 63 -5.860 11.620 -1.814 1.00 2.99 C ATOM 998 O PRO A 63 -4.814 11.865 -2.386 1.00 3.71 O ATOM 999 CB PRO A 63 -6.168 13.897 -0.773 1.00 3.19 C ATOM 1000 CG PRO A 63 -5.082 14.452 0.180 1.00 3.17 C ATOM 1001 CD PRO A 63 -4.541 13.276 1.007 1.00 2.59 C ATOM 0 HA PRO A 63 -7.275 12.067 -0.297 1.00 2.70 H new ATOM 0 HB2 PRO A 63 -5.913 14.113 -1.810 1.00 3.19 H new ATOM 0 HB3 PRO A 63 -7.129 14.372 -0.575 1.00 3.19 H new ATOM 0 HG2 PRO A 63 -4.279 14.922 -0.388 1.00 3.17 H new ATOM 0 HG3 PRO A 63 -5.501 15.218 0.833 1.00 3.17 H new ATOM 0 HD2 PRO A 63 -3.471 13.141 0.847 1.00 2.59 H new ATOM 0 HD3 PRO A 63 -4.685 13.445 2.074 1.00 2.59 H new ATOM 1009 N GLY A 64 -6.686 10.707 -2.258 1.00 3.03 N ATOM 1010 CA GLY A 64 -6.360 9.933 -3.492 1.00 3.40 C ATOM 1011 C GLY A 64 -6.439 8.434 -3.201 1.00 3.18 C ATOM 1012 O GLY A 64 -6.828 7.652 -4.048 1.00 3.42 O ATOM 0 H GLY A 64 -7.574 10.464 -1.818 1.00 3.03 H new ATOM 0 HA2 GLY A 64 -7.055 10.195 -4.290 1.00 3.40 H new ATOM 0 HA3 GLY A 64 -5.361 10.192 -3.841 1.00 3.40 H new ATOM 1016 N VAL A 65 -6.066 8.028 -2.014 1.00 2.88 N ATOM 1017 CA VAL A 65 -6.112 6.573 -1.668 1.00 2.80 C ATOM 1018 C VAL A 65 -6.727 6.399 -0.278 1.00 2.61 C ATOM 1019 O VAL A 65 -6.508 7.202 0.611 1.00 3.10 O ATOM 1020 CB VAL A 65 -4.690 5.991 -1.673 1.00 2.88 C ATOM 1021 CG1 VAL A 65 -4.761 4.460 -1.653 1.00 2.97 C ATOM 1022 CG2 VAL A 65 -3.942 6.452 -2.934 1.00 3.33 C ATOM 0 H VAL A 65 -5.732 8.640 -1.269 1.00 2.88 H new ATOM 0 HA VAL A 65 -6.719 6.048 -2.406 1.00 2.80 H new ATOM 0 HB VAL A 65 -4.157 6.343 -0.790 1.00 2.88 H new ATOM 0 HG11 VAL A 65 -3.752 4.049 -1.657 1.00 2.97 H new ATOM 0 HG12 VAL A 65 -5.283 4.132 -0.754 1.00 2.97 H new ATOM 0 HG13 VAL A 65 -5.299 4.109 -2.534 1.00 2.97 H new ATOM 0 HG21 VAL A 65 -2.934 6.036 -2.932 1.00 3.33 H new ATOM 0 HG22 VAL A 65 -4.475 6.107 -3.820 1.00 3.33 H new ATOM 0 HG23 VAL A 65 -3.885 7.540 -2.946 1.00 3.33 H new ATOM 1032 N GLY A 66 -7.495 5.356 -0.085 1.00 2.31 N ATOM 1033 CA GLY A 66 -8.129 5.123 1.246 1.00 2.50 C ATOM 1034 C GLY A 66 -8.905 3.804 1.217 1.00 1.97 C ATOM 1035 O GLY A 66 -9.472 3.432 0.208 1.00 2.64 O ATOM 0 H GLY A 66 -7.710 4.655 -0.794 1.00 2.31 H new ATOM 0 HA2 GLY A 66 -7.366 5.091 2.024 1.00 2.50 H new ATOM 0 HA3 GLY A 66 -8.800 5.947 1.491 1.00 2.50 H new ATOM 1039 N THR A 67 -8.930 3.094 2.318 1.00 2.38 N ATOM 1040 CA THR A 67 -9.666 1.792 2.368 1.00 2.20 C ATOM 1041 C THR A 67 -9.083 0.835 1.325 1.00 2.03 C ATOM 1042 O THR A 67 -8.180 1.189 0.595 1.00 3.42 O ATOM 1043 CB THR A 67 -11.150 2.027 2.071 1.00 2.79 C ATOM 1044 OG1 THR A 67 -11.507 3.344 2.465 1.00 3.97 O ATOM 1045 CG2 THR A 67 -11.993 1.014 2.846 1.00 3.53 C ATOM 0 H THR A 67 -8.470 3.361 3.188 1.00 2.38 H new ATOM 0 HA THR A 67 -9.561 1.356 3.362 1.00 2.20 H new ATOM 0 HB THR A 67 -11.331 1.906 1.003 1.00 2.79 H new ATOM 0 HG1 THR A 67 -12.456 3.497 2.274 1.00 3.97 H new ATOM 0 HG21 THR A 67 -13.049 1.182 2.634 1.00 3.53 H new ATOM 0 HG22 THR A 67 -11.718 0.004 2.543 1.00 3.53 H new ATOM 0 HG23 THR A 67 -11.814 1.133 3.915 1.00 3.53 H new ATOM 1053 N LYS A 68 -9.596 -0.367 1.255 1.00 1.42 N ATOM 1054 CA LYS A 68 -9.086 -1.363 0.262 1.00 1.56 C ATOM 1055 C LYS A 68 -7.589 -1.630 0.507 1.00 1.32 C ATOM 1056 O LYS A 68 -7.236 -2.538 1.236 1.00 1.29 O ATOM 1057 CB LYS A 68 -9.314 -0.838 -1.162 1.00 2.56 C ATOM 1058 CG LYS A 68 -10.808 -0.885 -1.489 1.00 3.59 C ATOM 1059 CD LYS A 68 -11.235 -2.334 -1.738 1.00 3.10 C ATOM 1060 CE LYS A 68 -12.722 -2.376 -2.094 1.00 4.14 C ATOM 1061 NZ LYS A 68 -12.895 -2.078 -3.544 1.00 5.54 N ATOM 0 H LYS A 68 -10.354 -0.705 1.849 1.00 1.42 H new ATOM 0 HA LYS A 68 -9.628 -2.301 0.380 1.00 1.56 H new ATOM 0 HB2 LYS A 68 -8.944 0.184 -1.248 1.00 2.56 H new ATOM 0 HB3 LYS A 68 -8.755 -1.441 -1.877 1.00 2.56 H new ATOM 0 HG2 LYS A 68 -11.384 -0.462 -0.666 1.00 3.59 H new ATOM 0 HG3 LYS A 68 -11.017 -0.277 -2.370 1.00 3.59 H new ATOM 0 HD2 LYS A 68 -10.645 -2.764 -2.547 1.00 3.10 H new ATOM 0 HD3 LYS A 68 -11.046 -2.937 -0.850 1.00 3.10 H new ATOM 0 HE2 LYS A 68 -13.135 -3.358 -1.862 1.00 4.14 H new ATOM 0 HE3 LYS A 68 -13.271 -1.650 -1.495 1.00 4.14 H new ATOM 0 HZ1 LYS A 68 -13.906 -2.107 -3.786 1.00 5.54 H new ATOM 0 HZ2 LYS A 68 -12.516 -1.132 -3.752 1.00 5.54 H new ATOM 0 HZ3 LYS A 68 -12.384 -2.787 -4.108 1.00 5.54 H new ATOM 1075 N ILE A 69 -6.707 -0.856 -0.090 1.00 1.23 N ATOM 1076 CA ILE A 69 -5.244 -1.080 0.117 1.00 1.02 C ATOM 1077 C ILE A 69 -4.816 -0.634 1.526 1.00 0.95 C ATOM 1078 O ILE A 69 -3.675 -0.823 1.912 1.00 1.16 O ATOM 1079 CB ILE A 69 -4.456 -0.291 -0.931 1.00 0.98 C ATOM 1080 CG1 ILE A 69 -4.977 -0.636 -2.335 1.00 1.08 C ATOM 1081 CG2 ILE A 69 -2.968 -0.641 -0.829 1.00 0.92 C ATOM 1082 CD1 ILE A 69 -4.816 -2.137 -2.616 1.00 1.84 C ATOM 0 H ILE A 69 -6.942 -0.081 -0.710 1.00 1.23 H new ATOM 0 HA ILE A 69 -5.037 -2.145 0.014 1.00 1.02 H new ATOM 0 HB ILE A 69 -4.585 0.776 -0.752 1.00 0.98 H new ATOM 0 HG12 ILE A 69 -6.027 -0.355 -2.419 1.00 1.08 H new ATOM 0 HG13 ILE A 69 -4.432 -0.060 -3.083 1.00 1.08 H new ATOM 0 HG21 ILE A 69 -2.410 -0.078 -1.577 1.00 0.92 H new ATOM 0 HG22 ILE A 69 -2.602 -0.386 0.166 1.00 0.92 H new ATOM 0 HG23 ILE A 69 -2.833 -1.708 -1.003 1.00 0.92 H new ATOM 0 HD11 ILE A 69 -5.190 -2.362 -3.615 1.00 1.84 H new ATOM 0 HD12 ILE A 69 -3.762 -2.408 -2.554 1.00 1.84 H new ATOM 0 HD13 ILE A 69 -5.381 -2.708 -1.879 1.00 1.84 H new ATOM 1094 N ALA A 70 -5.707 -0.057 2.303 1.00 0.75 N ATOM 1095 CA ALA A 70 -5.329 0.368 3.682 1.00 0.71 C ATOM 1096 C ALA A 70 -4.960 -0.880 4.490 1.00 0.73 C ATOM 1097 O ALA A 70 -4.099 -0.848 5.350 1.00 0.78 O ATOM 1098 CB ALA A 70 -6.512 1.078 4.345 1.00 0.73 C ATOM 0 H ALA A 70 -6.673 0.135 2.039 1.00 0.75 H new ATOM 0 HA ALA A 70 -4.482 1.053 3.643 1.00 0.71 H new ATOM 0 HB1 ALA A 70 -6.233 1.387 5.352 1.00 0.73 H new ATOM 0 HB2 ALA A 70 -6.785 1.955 3.759 1.00 0.73 H new ATOM 0 HB3 ALA A 70 -7.362 0.398 4.397 1.00 0.73 H new ATOM 1104 N GLU A 71 -5.604 -1.983 4.199 1.00 0.82 N ATOM 1105 CA GLU A 71 -5.299 -3.250 4.920 1.00 1.02 C ATOM 1106 C GLU A 71 -3.889 -3.718 4.537 1.00 1.16 C ATOM 1107 O GLU A 71 -3.229 -4.391 5.299 1.00 1.29 O ATOM 1108 CB GLU A 71 -6.332 -4.319 4.526 1.00 1.14 C ATOM 1109 CG GLU A 71 -7.052 -4.834 5.776 1.00 1.44 C ATOM 1110 CD GLU A 71 -8.490 -5.215 5.417 1.00 1.84 C ATOM 1111 OE1 GLU A 71 -8.668 -6.234 4.770 1.00 2.66 O ATOM 1112 OE2 GLU A 71 -9.388 -4.481 5.796 1.00 2.73 O ATOM 0 H GLU A 71 -6.332 -2.057 3.488 1.00 0.82 H new ATOM 0 HA GLU A 71 -5.345 -3.087 5.997 1.00 1.02 H new ATOM 0 HB2 GLU A 71 -7.055 -3.899 3.827 1.00 1.14 H new ATOM 0 HB3 GLU A 71 -5.837 -5.145 4.015 1.00 1.14 H new ATOM 0 HG2 GLU A 71 -6.526 -5.698 6.181 1.00 1.44 H new ATOM 0 HG3 GLU A 71 -7.050 -4.068 6.551 1.00 1.44 H new ATOM 1119 N LYS A 72 -3.432 -3.364 3.359 1.00 1.29 N ATOM 1120 CA LYS A 72 -2.065 -3.777 2.917 1.00 1.54 C ATOM 1121 C LYS A 72 -1.018 -3.057 3.773 1.00 1.30 C ATOM 1122 O LYS A 72 -0.003 -3.622 4.132 1.00 1.40 O ATOM 1123 CB LYS A 72 -1.870 -3.403 1.444 1.00 1.85 C ATOM 1124 CG LYS A 72 -1.056 -4.494 0.744 1.00 2.58 C ATOM 1125 CD LYS A 72 -1.892 -5.774 0.645 1.00 1.81 C ATOM 1126 CE LYS A 72 -0.990 -6.994 0.845 1.00 2.53 C ATOM 1127 NZ LYS A 72 -1.830 -8.188 1.144 1.00 2.50 N ATOM 0 H LYS A 72 -3.951 -2.804 2.683 1.00 1.29 H new ATOM 0 HA LYS A 72 -1.952 -4.855 3.033 1.00 1.54 H new ATOM 0 HB2 LYS A 72 -2.838 -3.287 0.956 1.00 1.85 H new ATOM 0 HB3 LYS A 72 -1.357 -2.445 1.366 1.00 1.85 H new ATOM 0 HG2 LYS A 72 -0.763 -4.161 -0.252 1.00 2.58 H new ATOM 0 HG3 LYS A 72 -0.138 -4.689 1.298 1.00 2.58 H new ATOM 0 HD2 LYS A 72 -2.680 -5.765 1.398 1.00 1.81 H new ATOM 0 HD3 LYS A 72 -2.381 -5.826 -0.328 1.00 1.81 H new ATOM 0 HE2 LYS A 72 -0.394 -7.170 -0.051 1.00 2.53 H new ATOM 0 HE3 LYS A 72 -0.292 -6.813 1.662 1.00 2.53 H new ATOM 0 HZ1 LYS A 72 -1.218 -9.018 1.280 1.00 2.50 H new ATOM 0 HZ2 LYS A 72 -2.380 -8.018 2.010 1.00 2.50 H new ATOM 0 HZ3 LYS A 72 -2.479 -8.363 0.351 1.00 2.50 H new ATOM 1141 N ILE A 73 -1.272 -1.819 4.121 1.00 1.06 N ATOM 1142 CA ILE A 73 -0.308 -1.059 4.983 1.00 0.90 C ATOM 1143 C ILE A 73 -0.233 -1.767 6.337 1.00 0.76 C ATOM 1144 O ILE A 73 0.817 -1.866 6.946 1.00 0.81 O ATOM 1145 CB ILE A 73 -0.808 0.383 5.173 1.00 0.94 C ATOM 1146 CG1 ILE A 73 -1.182 1.011 3.816 1.00 1.28 C ATOM 1147 CG2 ILE A 73 0.292 1.222 5.823 1.00 0.99 C ATOM 1148 CD1 ILE A 73 0.021 0.982 2.862 1.00 1.21 C ATOM 0 H ILE A 73 -2.106 -1.300 3.846 1.00 1.06 H new ATOM 0 HA ILE A 73 0.677 -1.025 4.518 1.00 0.90 H new ATOM 0 HB ILE A 73 -1.692 0.362 5.811 1.00 0.94 H new ATOM 0 HG12 ILE A 73 -2.017 0.467 3.375 1.00 1.28 H new ATOM 0 HG13 ILE A 73 -1.513 2.039 3.963 1.00 1.28 H new ATOM 0 HG21 ILE A 73 -0.062 2.244 5.958 1.00 0.99 H new ATOM 0 HG22 ILE A 73 0.549 0.796 6.793 1.00 0.99 H new ATOM 0 HG23 ILE A 73 1.174 1.225 5.182 1.00 0.99 H new ATOM 0 HD11 ILE A 73 -0.260 1.429 1.908 1.00 1.21 H new ATOM 0 HD12 ILE A 73 0.845 1.546 3.298 1.00 1.21 H new ATOM 0 HD13 ILE A 73 0.333 -0.050 2.701 1.00 1.21 H new ATOM 1160 N ASP A 74 -1.345 -2.285 6.792 1.00 0.83 N ATOM 1161 CA ASP A 74 -1.364 -3.019 8.089 1.00 1.07 C ATOM 1162 C ASP A 74 -0.914 -4.475 7.869 1.00 1.34 C ATOM 1163 O ASP A 74 -0.599 -5.177 8.810 1.00 1.63 O ATOM 1164 CB ASP A 74 -2.784 -3.006 8.658 1.00 1.10 C ATOM 1165 CG ASP A 74 -2.739 -3.343 10.150 1.00 2.15 C ATOM 1166 OD1 ASP A 74 -2.305 -2.498 10.915 1.00 2.63 O ATOM 1167 OD2 ASP A 74 -3.141 -4.441 10.501 1.00 3.47 O ATOM 0 H ASP A 74 -2.245 -2.230 6.316 1.00 0.83 H new ATOM 0 HA ASP A 74 -0.684 -2.534 8.789 1.00 1.07 H new ATOM 0 HB2 ASP A 74 -3.238 -2.026 8.509 1.00 1.10 H new ATOM 0 HB3 ASP A 74 -3.406 -3.729 8.130 1.00 1.10 H new ATOM 1172 N GLU A 75 -0.878 -4.932 6.636 1.00 1.46 N ATOM 1173 CA GLU A 75 -0.443 -6.332 6.360 1.00 1.83 C ATOM 1174 C GLU A 75 1.028 -6.473 6.738 1.00 1.76 C ATOM 1175 O GLU A 75 1.414 -7.394 7.434 1.00 1.91 O ATOM 1176 CB GLU A 75 -0.623 -6.641 4.872 1.00 2.09 C ATOM 1177 CG GLU A 75 -0.446 -8.144 4.637 1.00 2.78 C ATOM 1178 CD GLU A 75 -1.660 -8.894 5.185 1.00 2.22 C ATOM 1179 OE1 GLU A 75 -2.619 -9.050 4.445 1.00 3.34 O ATOM 1180 OE2 GLU A 75 -1.613 -9.300 6.333 1.00 2.26 O ATOM 0 H GLU A 75 -1.133 -4.390 5.811 1.00 1.46 H new ATOM 0 HA GLU A 75 -1.044 -7.029 6.944 1.00 1.83 H new ATOM 0 HB2 GLU A 75 -1.612 -6.324 4.541 1.00 2.09 H new ATOM 0 HB3 GLU A 75 0.104 -6.082 4.283 1.00 2.09 H new ATOM 0 HG2 GLU A 75 -0.332 -8.345 3.572 1.00 2.78 H new ATOM 0 HG3 GLU A 75 0.462 -8.495 5.127 1.00 2.78 H new ATOM 1187 N PHE A 76 1.845 -5.544 6.311 1.00 1.58 N ATOM 1188 CA PHE A 76 3.298 -5.604 6.680 1.00 1.58 C ATOM 1189 C PHE A 76 3.413 -5.230 8.152 1.00 1.57 C ATOM 1190 O PHE A 76 4.251 -5.732 8.876 1.00 1.67 O ATOM 1191 CB PHE A 76 4.189 -4.622 5.856 1.00 1.63 C ATOM 1192 CG PHE A 76 3.465 -3.984 4.694 1.00 1.27 C ATOM 1193 CD1 PHE A 76 2.878 -4.774 3.703 1.00 1.91 C ATOM 1194 CD2 PHE A 76 3.394 -2.589 4.615 1.00 2.40 C ATOM 1195 CE1 PHE A 76 2.215 -4.166 2.631 1.00 1.98 C ATOM 1196 CE2 PHE A 76 2.735 -1.981 3.546 1.00 2.93 C ATOM 1197 CZ PHE A 76 2.143 -2.769 2.551 1.00 2.18 C ATOM 0 H PHE A 76 1.575 -4.752 5.728 1.00 1.58 H new ATOM 0 HA PHE A 76 3.653 -6.612 6.468 1.00 1.58 H new ATOM 0 HB2 PHE A 76 4.560 -3.839 6.517 1.00 1.63 H new ATOM 0 HB3 PHE A 76 5.059 -5.161 5.480 1.00 1.63 H new ATOM 0 HD1 PHE A 76 2.936 -5.851 3.764 1.00 1.91 H new ATOM 0 HD2 PHE A 76 3.850 -1.982 5.383 1.00 2.40 H new ATOM 0 HE1 PHE A 76 1.758 -4.774 1.864 1.00 1.98 H new ATOM 0 HE2 PHE A 76 2.681 -0.904 3.486 1.00 2.93 H new ATOM 0 HZ PHE A 76 1.632 -2.300 1.723 1.00 2.18 H new ATOM 1207 N LEU A 77 2.585 -4.319 8.581 1.00 1.54 N ATOM 1208 CA LEU A 77 2.632 -3.851 9.986 1.00 1.68 C ATOM 1209 C LEU A 77 1.672 -4.669 10.861 1.00 1.93 C ATOM 1210 O LEU A 77 1.279 -4.232 11.928 1.00 2.14 O ATOM 1211 CB LEU A 77 2.230 -2.370 10.012 1.00 1.66 C ATOM 1212 CG LEU A 77 3.367 -1.477 9.465 1.00 1.40 C ATOM 1213 CD1 LEU A 77 4.570 -1.536 10.413 1.00 2.93 C ATOM 1214 CD2 LEU A 77 3.807 -1.924 8.063 1.00 2.66 C ATOM 0 H LEU A 77 1.869 -3.875 8.006 1.00 1.54 H new ATOM 0 HA LEU A 77 3.639 -3.978 10.382 1.00 1.68 H new ATOM 0 HB2 LEU A 77 1.329 -2.224 9.416 1.00 1.66 H new ATOM 0 HB3 LEU A 77 1.989 -2.073 11.033 1.00 1.66 H new ATOM 0 HG LEU A 77 2.989 -0.457 9.398 1.00 1.40 H new ATOM 0 HD11 LEU A 77 5.370 -0.906 10.025 1.00 2.93 H new ATOM 0 HD12 LEU A 77 4.274 -1.180 11.400 1.00 2.93 H new ATOM 0 HD13 LEU A 77 4.923 -2.564 10.489 1.00 2.93 H new ATOM 0 HD21 LEU A 77 4.608 -1.275 7.709 1.00 2.66 H new ATOM 0 HD22 LEU A 77 4.166 -2.952 8.105 1.00 2.66 H new ATOM 0 HD23 LEU A 77 2.960 -1.863 7.379 1.00 2.66 H new ATOM 1226 N ALA A 78 1.288 -5.845 10.425 1.00 2.04 N ATOM 1227 CA ALA A 78 0.351 -6.678 11.235 1.00 2.31 C ATOM 1228 C ALA A 78 1.147 -7.581 12.178 1.00 2.50 C ATOM 1229 O ALA A 78 1.180 -7.365 13.376 1.00 2.51 O ATOM 1230 CB ALA A 78 -0.496 -7.543 10.300 1.00 2.53 C ATOM 0 H ALA A 78 1.585 -6.262 9.543 1.00 2.04 H new ATOM 0 HA ALA A 78 -0.297 -6.026 11.821 1.00 2.31 H new ATOM 0 HB1 ALA A 78 -1.181 -8.152 10.889 1.00 2.53 H new ATOM 0 HB2 ALA A 78 -1.067 -6.902 9.628 1.00 2.53 H new ATOM 0 HB3 ALA A 78 0.156 -8.192 9.715 1.00 2.53 H new ATOM 1236 N THR A 79 1.788 -8.591 11.647 1.00 2.90 N ATOM 1237 CA THR A 79 2.583 -9.516 12.506 1.00 3.18 C ATOM 1238 C THR A 79 3.589 -10.275 11.638 1.00 4.40 C ATOM 1239 O THR A 79 3.220 -10.975 10.715 1.00 5.69 O ATOM 1240 CB THR A 79 1.644 -10.514 13.189 1.00 3.37 C ATOM 1241 OG1 THR A 79 0.544 -10.788 12.334 1.00 4.18 O ATOM 1242 CG2 THR A 79 1.134 -9.926 14.507 1.00 3.58 C ATOM 0 H THR A 79 1.794 -8.814 10.652 1.00 2.90 H new ATOM 0 HA THR A 79 3.115 -8.942 13.264 1.00 3.18 H new ATOM 0 HB THR A 79 2.186 -11.437 13.394 1.00 3.37 H new ATOM 0 HG1 THR A 79 -0.057 -11.428 12.769 1.00 4.18 H new ATOM 0 HG21 THR A 79 0.466 -10.640 14.990 1.00 3.58 H new ATOM 0 HG22 THR A 79 1.979 -9.718 15.164 1.00 3.58 H new ATOM 0 HG23 THR A 79 0.593 -9.001 14.308 1.00 3.58 H new ATOM 1250 N GLY A 80 4.856 -10.136 11.929 1.00 4.66 N ATOM 1251 CA GLY A 80 5.897 -10.844 11.129 1.00 6.05 C ATOM 1252 C GLY A 80 7.281 -10.368 11.567 1.00 6.35 C ATOM 1253 O GLY A 80 8.228 -11.131 11.599 1.00 7.43 O ATOM 0 H GLY A 80 5.215 -9.560 12.690 1.00 4.66 H new ATOM 0 HA2 GLY A 80 5.809 -11.921 11.269 1.00 6.05 H new ATOM 0 HA3 GLY A 80 5.752 -10.648 10.067 1.00 6.05 H new ATOM 1257 N LYS A 81 7.401 -9.109 11.905 1.00 6.05 N ATOM 1258 CA LYS A 81 8.721 -8.569 12.346 1.00 7.26 C ATOM 1259 C LYS A 81 8.932 -8.883 13.828 1.00 7.46 C ATOM 1260 O LYS A 81 9.928 -9.468 14.212 1.00 8.41 O ATOM 1261 CB LYS A 81 8.748 -7.056 12.134 1.00 8.01 C ATOM 1262 CG LYS A 81 9.193 -6.750 10.703 1.00 9.24 C ATOM 1263 CD LYS A 81 9.823 -5.357 10.650 1.00 10.33 C ATOM 1264 CE LYS A 81 10.903 -5.325 9.568 1.00 12.00 C ATOM 1265 NZ LYS A 81 12.188 -5.828 10.132 1.00 12.85 N ATOM 0 H LYS A 81 6.639 -8.431 11.894 1.00 6.05 H new ATOM 0 HA LYS A 81 9.517 -9.031 11.762 1.00 7.26 H new ATOM 0 HB2 LYS A 81 7.760 -6.635 12.317 1.00 8.01 H new ATOM 0 HB3 LYS A 81 9.430 -6.590 12.846 1.00 8.01 H new ATOM 0 HG2 LYS A 81 9.911 -7.498 10.366 1.00 9.24 H new ATOM 0 HG3 LYS A 81 8.339 -6.800 10.027 1.00 9.24 H new ATOM 0 HD2 LYS A 81 9.059 -4.609 10.438 1.00 10.33 H new ATOM 0 HD3 LYS A 81 10.256 -5.105 11.618 1.00 10.33 H new ATOM 0 HE2 LYS A 81 10.601 -5.939 8.720 1.00 12.00 H new ATOM 0 HE3 LYS A 81 11.030 -4.308 9.196 1.00 12.00 H new ATOM 0 HZ1 LYS A 81 12.922 -5.806 9.396 1.00 12.85 H new ATOM 0 HZ2 LYS A 81 12.478 -5.225 10.928 1.00 12.85 H new ATOM 0 HZ3 LYS A 81 12.062 -6.805 10.466 1.00 12.85 H new ATOM 1279 N LEU A 82 7.999 -8.500 14.663 1.00 7.22 N ATOM 1280 CA LEU A 82 8.135 -8.772 16.124 1.00 8.07 C ATOM 1281 C LEU A 82 7.806 -10.241 16.400 1.00 8.68 C ATOM 1282 O LEU A 82 6.683 -10.675 16.227 1.00 8.77 O ATOM 1283 CB LEU A 82 7.165 -7.874 16.904 1.00 8.36 C ATOM 1284 CG LEU A 82 7.765 -6.473 17.100 1.00 9.05 C ATOM 1285 CD1 LEU A 82 9.066 -6.567 17.903 1.00 10.08 C ATOM 1286 CD2 LEU A 82 8.053 -5.834 15.737 1.00 9.52 C ATOM 0 H LEU A 82 7.147 -8.009 14.393 1.00 7.22 H new ATOM 0 HA LEU A 82 9.157 -8.562 16.440 1.00 8.07 H new ATOM 0 HB2 LEU A 82 6.219 -7.799 16.368 1.00 8.36 H new ATOM 0 HB3 LEU A 82 6.947 -8.321 17.874 1.00 8.36 H new ATOM 0 HG LEU A 82 7.049 -5.858 17.645 1.00 9.05 H new ATOM 0 HD11 LEU A 82 9.484 -5.569 18.037 1.00 10.08 H new ATOM 0 HD12 LEU A 82 8.861 -7.008 18.878 1.00 10.08 H new ATOM 0 HD13 LEU A 82 9.781 -7.191 17.366 1.00 10.08 H new ATOM 0 HD21 LEU A 82 8.478 -4.841 15.883 1.00 9.52 H new ATOM 0 HD22 LEU A 82 8.760 -6.454 15.187 1.00 9.52 H new ATOM 0 HD23 LEU A 82 7.125 -5.752 15.170 1.00 9.52 H new ATOM 1298 N ARG A 83 8.777 -11.006 16.829 1.00 9.57 N ATOM 1299 CA ARG A 83 8.530 -12.448 17.119 1.00 10.55 C ATOM 1300 C ARG A 83 9.439 -12.904 18.261 1.00 11.59 C ATOM 1301 O ARG A 83 10.448 -12.286 18.546 1.00 12.05 O ATOM 1302 CB ARG A 83 8.827 -13.279 15.868 1.00 11.08 C ATOM 1303 CG ARG A 83 10.240 -12.969 15.371 1.00 11.82 C ATOM 1304 CD ARG A 83 10.455 -13.613 14.002 1.00 12.61 C ATOM 1305 NE ARG A 83 10.559 -15.097 14.161 1.00 13.47 N ATOM 1306 CZ ARG A 83 10.480 -15.908 13.124 1.00 14.22 C ATOM 1307 NH1 ARG A 83 10.321 -15.451 11.904 1.00 14.31 N ATOM 1308 NH2 ARG A 83 10.567 -17.196 13.316 1.00 15.20 N ATOM 0 H ARG A 83 9.734 -10.691 16.991 1.00 9.57 H new ATOM 0 HA ARG A 83 7.488 -12.585 17.408 1.00 10.55 H new ATOM 0 HB2 ARG A 83 8.735 -14.341 16.094 1.00 11.08 H new ATOM 0 HB3 ARG A 83 8.099 -13.055 15.089 1.00 11.08 H new ATOM 0 HG2 ARG A 83 10.384 -11.891 15.303 1.00 11.82 H new ATOM 0 HG3 ARG A 83 10.977 -13.345 16.081 1.00 11.82 H new ATOM 0 HD2 ARG A 83 9.628 -13.365 13.337 1.00 12.61 H new ATOM 0 HD3 ARG A 83 11.362 -13.221 13.542 1.00 12.61 H new ATOM 0 HE ARG A 83 10.694 -15.490 15.092 1.00 13.47 H new ATOM 0 HH11 ARG A 83 10.256 -14.446 11.740 1.00 14.31 H new ATOM 0 HH12 ARG A 83 10.263 -16.100 11.120 1.00 14.31 H new ATOM 0 HH21 ARG A 83 10.694 -17.564 14.259 1.00 15.20 H new ATOM 0 HH22 ARG A 83 10.508 -17.835 12.523 1.00 15.20 H new ATOM 1322 N LYS A 84 9.088 -13.983 18.914 1.00 12.31 N ATOM 1323 CA LYS A 84 9.926 -14.489 20.039 1.00 13.56 C ATOM 1324 C LYS A 84 10.588 -15.807 19.626 1.00 14.62 C ATOM 1325 O LYS A 84 10.154 -16.877 20.008 1.00 15.17 O ATOM 1326 CB LYS A 84 9.042 -14.719 21.268 1.00 13.99 C ATOM 1327 CG LYS A 84 8.541 -13.373 21.795 1.00 13.99 C ATOM 1328 CD LYS A 84 8.265 -13.481 23.296 1.00 14.95 C ATOM 1329 CE LYS A 84 7.267 -12.399 23.710 1.00 15.28 C ATOM 1330 NZ LYS A 84 6.971 -12.526 25.165 1.00 16.24 N ATOM 0 H LYS A 84 8.254 -14.536 18.714 1.00 12.31 H new ATOM 0 HA LYS A 84 10.697 -13.757 20.280 1.00 13.56 H new ATOM 0 HB2 LYS A 84 8.197 -15.357 21.007 1.00 13.99 H new ATOM 0 HB3 LYS A 84 9.606 -15.238 22.043 1.00 13.99 H new ATOM 0 HG2 LYS A 84 9.284 -12.598 21.606 1.00 13.99 H new ATOM 0 HG3 LYS A 84 7.633 -13.080 21.268 1.00 13.99 H new ATOM 0 HD2 LYS A 84 7.867 -14.468 23.533 1.00 14.95 H new ATOM 0 HD3 LYS A 84 9.193 -13.368 23.856 1.00 14.95 H new ATOM 0 HE2 LYS A 84 7.676 -11.411 23.496 1.00 15.28 H new ATOM 0 HE3 LYS A 84 6.348 -12.496 23.131 1.00 15.28 H new ATOM 0 HZ1 LYS A 84 6.292 -11.790 25.447 1.00 16.24 H new ATOM 0 HZ2 LYS A 84 6.564 -13.464 25.356 1.00 16.24 H new ATOM 0 HZ3 LYS A 84 7.850 -12.413 25.709 1.00 16.24 H new ATOM 1344 N LEU A 85 11.634 -15.733 18.839 1.00 15.20 N ATOM 1345 CA LEU A 85 12.329 -16.976 18.386 1.00 16.52 C ATOM 1346 C LEU A 85 12.831 -17.773 19.598 1.00 17.68 C ATOM 1347 O LEU A 85 12.694 -17.349 20.729 1.00 17.97 O ATOM 1348 CB LEU A 85 13.499 -16.609 17.433 1.00 17.13 C ATOM 1349 CG LEU A 85 14.734 -16.005 18.158 1.00 17.64 C ATOM 1350 CD1 LEU A 85 14.328 -15.004 19.250 1.00 17.78 C ATOM 1351 CD2 LEU A 85 15.578 -17.124 18.776 1.00 18.58 C ATOM 0 H LEU A 85 12.036 -14.863 18.491 1.00 15.20 H new ATOM 0 HA LEU A 85 11.626 -17.603 17.838 1.00 16.52 H new ATOM 0 HB2 LEU A 85 13.809 -17.503 16.892 1.00 17.13 H new ATOM 0 HB3 LEU A 85 13.140 -15.896 16.691 1.00 17.13 H new ATOM 0 HG LEU A 85 15.319 -15.467 17.412 1.00 17.64 H new ATOM 0 HD11 LEU A 85 15.222 -14.607 19.730 1.00 17.78 H new ATOM 0 HD12 LEU A 85 13.763 -14.186 18.802 1.00 17.78 H new ATOM 0 HD13 LEU A 85 13.710 -15.507 19.993 1.00 17.78 H new ATOM 0 HD21 LEU A 85 16.441 -16.692 19.282 1.00 18.58 H new ATOM 0 HD22 LEU A 85 14.976 -17.679 19.496 1.00 18.58 H new ATOM 0 HD23 LEU A 85 15.918 -17.799 17.991 1.00 18.58 H new ATOM 1363 N GLU A 86 13.407 -18.923 19.361 1.00 18.58 N ATOM 1364 CA GLU A 86 13.921 -19.757 20.485 1.00 19.91 C ATOM 1365 C GLU A 86 14.607 -21.001 19.919 1.00 20.82 C ATOM 1366 O GLU A 86 13.971 -21.858 19.335 1.00 20.79 O ATOM 1367 CB GLU A 86 12.757 -20.179 21.384 1.00 20.14 C ATOM 1368 CG GLU A 86 13.277 -20.445 22.799 1.00 21.22 C ATOM 1369 CD GLU A 86 12.218 -21.208 23.598 1.00 21.79 C ATOM 1370 OE1 GLU A 86 11.183 -20.626 23.878 1.00 21.59 O ATOM 1371 OE2 GLU A 86 12.462 -22.360 23.918 1.00 22.60 O ATOM 0 H GLU A 86 13.543 -19.321 18.432 1.00 18.58 H new ATOM 0 HA GLU A 86 14.637 -19.179 21.070 1.00 19.91 H new ATOM 0 HB2 GLU A 86 11.997 -19.397 21.405 1.00 20.14 H new ATOM 0 HB3 GLU A 86 12.281 -21.075 20.985 1.00 20.14 H new ATOM 0 HG2 GLU A 86 14.201 -21.022 22.756 1.00 21.22 H new ATOM 0 HG3 GLU A 86 13.513 -19.503 23.294 1.00 21.22 H new ATOM 1378 N LYS A 87 15.901 -21.103 20.088 1.00 21.82 N ATOM 1379 CA LYS A 87 16.639 -22.287 19.561 1.00 22.91 C ATOM 1380 C LYS A 87 17.613 -22.798 20.624 1.00 24.08 C ATOM 1381 O LYS A 87 18.347 -23.726 20.330 1.00 25.06 O ATOM 1382 CB LYS A 87 17.418 -21.883 18.308 1.00 23.14 C ATOM 1383 CG LYS A 87 17.650 -23.113 17.430 1.00 23.85 C ATOM 1384 CD LYS A 87 18.934 -22.924 16.620 1.00 24.80 C ATOM 1385 CE LYS A 87 18.986 -23.960 15.496 1.00 25.56 C ATOM 1386 NZ LYS A 87 20.404 -24.324 15.222 1.00 26.78 N ATOM 1387 OXT LYS A 87 17.608 -22.250 21.715 1.00 24.13 O ATOM 0 H LYS A 87 16.478 -20.414 20.570 1.00 21.82 H new ATOM 0 HA LYS A 87 15.929 -23.076 19.311 1.00 22.91 H new ATOM 0 HB2 LYS A 87 16.865 -21.126 17.752 1.00 23.14 H new ATOM 0 HB3 LYS A 87 18.373 -21.439 18.589 1.00 23.14 H new ATOM 0 HG2 LYS A 87 17.726 -24.007 18.050 1.00 23.85 H new ATOM 0 HG3 LYS A 87 16.803 -23.260 16.760 1.00 23.85 H new ATOM 0 HD2 LYS A 87 18.969 -21.918 16.203 1.00 24.80 H new ATOM 0 HD3 LYS A 87 19.804 -23.031 17.268 1.00 24.80 H new ATOM 0 HE2 LYS A 87 18.420 -24.847 15.778 1.00 25.56 H new ATOM 0 HE3 LYS A 87 18.522 -23.559 14.595 1.00 25.56 H new ATOM 0 HZ1 LYS A 87 20.440 -25.028 14.458 1.00 26.78 H new ATOM 0 HZ2 LYS A 87 20.931 -23.475 14.935 1.00 26.78 H new ATOM 0 HZ3 LYS A 87 20.832 -24.723 16.081 1.00 26.78 H new TER 1401 LYS A 87