USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=15 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) 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=-0.035) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.829 K(o=-0.83,f=-0.24) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0142 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.2 K(o=-0.2,f=-2.2!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.393 X(o=-0.39,f=-0.094) USER MOD Single : A 30 SER OG : rot 50:sc= -1.4 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS : no HD1:sc= -2.16 K(o=-2.2,f=-3.1!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -2.6 K(o=-2.6,f=-7.8!) USER MOD Single : A 39 TYR OH : rot -130:sc= -3.2 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -4:sc= 0.236 USER MOD Single : A 48 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0583) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -5.63! C(o=-5.6!,f=-12!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 147:sc= -0.214 (180deg=-0.99) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.00913) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.0331) 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 23.912 12.421 7.789 1.00 25.53 N ATOM 2 CA MET A 1 23.144 11.207 8.193 1.00 24.70 C ATOM 3 C MET A 1 21.688 11.592 8.470 1.00 24.12 C ATOM 4 O MET A 1 20.771 11.005 7.927 1.00 23.95 O ATOM 5 CB MET A 1 23.763 10.608 9.457 1.00 24.49 C ATOM 6 CG MET A 1 23.163 9.224 9.711 1.00 24.22 C ATOM 7 SD MET A 1 24.272 8.271 10.777 1.00 24.26 S ATOM 8 CE MET A 1 23.292 8.395 12.294 1.00 24.29 C ATOM 0 H1 MET A 1 24.901 12.160 7.601 1.00 25.53 H new ATOM 0 H2 MET A 1 23.492 12.827 6.929 1.00 25.53 H new ATOM 0 H3 MET A 1 23.879 13.123 8.555 1.00 25.53 H new ATOM 0 HA MET A 1 23.178 10.472 7.389 1.00 24.70 H new ATOM 0 HB2 MET A 1 24.845 10.532 9.345 1.00 24.49 H new ATOM 0 HB3 MET A 1 23.576 11.260 10.311 1.00 24.49 H new ATOM 0 HG2 MET A 1 22.184 9.321 10.181 1.00 24.22 H new ATOM 0 HG3 MET A 1 23.013 8.702 8.766 1.00 24.22 H new ATOM 0 HE1 MET A 1 23.800 7.866 13.100 1.00 24.29 H new ATOM 0 HE2 MET A 1 23.174 9.444 12.566 1.00 24.29 H new ATOM 0 HE3 MET A 1 22.310 7.950 12.130 1.00 24.29 H new ATOM 20 N SER A 2 21.474 12.570 9.313 1.00 24.02 N ATOM 21 CA SER A 2 20.080 12.997 9.633 1.00 23.69 C ATOM 22 C SER A 2 19.551 13.902 8.518 1.00 24.13 C ATOM 23 O SER A 2 20.299 14.367 7.679 1.00 24.79 O ATOM 24 CB SER A 2 20.074 13.763 10.956 1.00 23.91 C ATOM 25 OG SER A 2 20.667 15.040 10.762 1.00 25.08 O ATOM 0 H SER A 2 22.207 13.092 9.794 1.00 24.02 H new ATOM 0 HA SER A 2 19.442 12.117 9.718 1.00 23.69 H new ATOM 0 HB2 SER A 2 19.053 13.875 11.320 1.00 23.91 H new ATOM 0 HB3 SER A 2 20.623 13.206 11.715 1.00 23.91 H new ATOM 0 HG SER A 2 20.663 15.534 11.608 1.00 25.08 H new ATOM 31 N LYS A 3 18.267 14.153 8.508 1.00 23.96 N ATOM 32 CA LYS A 3 17.676 15.028 7.455 1.00 24.62 C ATOM 33 C LYS A 3 16.735 16.042 8.108 1.00 24.50 C ATOM 34 O LYS A 3 16.301 15.863 9.230 1.00 24.04 O ATOM 35 CB LYS A 3 16.891 14.171 6.459 1.00 24.79 C ATOM 36 CG LYS A 3 17.863 13.465 5.510 1.00 25.22 C ATOM 37 CD LYS A 3 18.000 14.275 4.220 1.00 26.55 C ATOM 38 CE LYS A 3 16.887 13.882 3.247 1.00 27.31 C ATOM 39 NZ LYS A 3 16.512 15.063 2.418 1.00 28.69 N ATOM 0 H LYS A 3 17.601 13.787 9.188 1.00 23.96 H new ATOM 0 HA LYS A 3 18.473 15.555 6.930 1.00 24.62 H new ATOM 0 HB2 LYS A 3 16.289 13.435 6.992 1.00 24.79 H new ATOM 0 HB3 LYS A 3 16.202 14.796 5.891 1.00 24.79 H new ATOM 0 HG2 LYS A 3 18.837 13.354 5.987 1.00 25.22 H new ATOM 0 HG3 LYS A 3 17.503 12.461 5.285 1.00 25.22 H new ATOM 0 HD2 LYS A 3 17.945 15.341 4.440 1.00 26.55 H new ATOM 0 HD3 LYS A 3 18.974 14.094 3.766 1.00 26.55 H new ATOM 0 HE2 LYS A 3 17.221 13.066 2.606 1.00 27.31 H new ATOM 0 HE3 LYS A 3 16.019 13.520 3.798 1.00 27.31 H new ATOM 0 HZ1 LYS A 3 15.755 14.796 1.756 1.00 28.69 H new ATOM 0 HZ2 LYS A 3 16.177 15.829 3.037 1.00 28.69 H new ATOM 0 HZ3 LYS A 3 17.342 15.389 1.882 1.00 28.69 H new ATOM 53 N ARG A 4 16.415 17.106 7.413 1.00 25.09 N ATOM 54 CA ARG A 4 15.501 18.143 7.986 1.00 25.25 C ATOM 55 C ARG A 4 16.120 18.721 9.265 1.00 24.72 C ATOM 56 O ARG A 4 15.469 18.841 10.284 1.00 24.56 O ATOM 57 CB ARG A 4 14.142 17.505 8.305 1.00 25.04 C ATOM 58 CG ARG A 4 13.165 17.760 7.151 1.00 26.12 C ATOM 59 CD ARG A 4 12.214 18.901 7.522 1.00 27.26 C ATOM 60 NE ARG A 4 11.421 18.515 8.730 1.00 27.13 N ATOM 61 CZ ARG A 4 10.739 19.407 9.421 1.00 27.92 C ATOM 62 NH1 ARG A 4 10.722 20.676 9.079 1.00 28.83 N ATOM 63 NH2 ARG A 4 10.064 19.021 10.469 1.00 27.95 N ATOM 0 H ARG A 4 16.749 17.302 6.469 1.00 25.09 H new ATOM 0 HA ARG A 4 15.360 18.946 7.263 1.00 25.25 H new ATOM 0 HB2 ARG A 4 14.261 16.433 8.463 1.00 25.04 H new ATOM 0 HB3 ARG A 4 13.743 17.921 9.230 1.00 25.04 H new ATOM 0 HG2 ARG A 4 13.716 18.013 6.245 1.00 26.12 H new ATOM 0 HG3 ARG A 4 12.596 16.855 6.937 1.00 26.12 H new ATOM 0 HD2 ARG A 4 12.780 19.811 7.721 1.00 27.26 H new ATOM 0 HD3 ARG A 4 11.546 19.117 6.689 1.00 27.26 H new ATOM 0 HE ARG A 4 11.408 17.539 9.026 1.00 27.13 H new ATOM 0 HH11 ARG A 4 11.245 20.991 8.262 1.00 28.83 H new ATOM 0 HH12 ARG A 4 10.186 21.346 9.631 1.00 28.83 H new ATOM 0 HH21 ARG A 4 10.068 18.039 10.745 1.00 27.95 H new ATOM 0 HH22 ARG A 4 9.532 19.701 11.012 1.00 27.95 H new ATOM 77 N LYS A 5 17.379 19.080 9.209 1.00 24.66 N ATOM 78 CA LYS A 5 18.066 19.652 10.408 1.00 24.45 C ATOM 79 C LYS A 5 18.067 18.613 11.546 1.00 23.00 C ATOM 80 O LYS A 5 18.985 17.823 11.658 1.00 22.51 O ATOM 81 CB LYS A 5 17.353 20.938 10.848 1.00 25.39 C ATOM 82 CG LYS A 5 18.026 22.145 10.191 1.00 26.67 C ATOM 83 CD LYS A 5 17.737 23.403 11.014 1.00 27.67 C ATOM 84 CE LYS A 5 18.054 24.644 10.177 1.00 29.03 C ATOM 85 NZ LYS A 5 18.455 25.761 11.078 1.00 30.21 N ATOM 0 H LYS A 5 17.964 19.001 8.377 1.00 24.66 H new ATOM 0 HA LYS A 5 19.098 19.897 10.158 1.00 24.45 H new ATOM 0 HB2 LYS A 5 16.301 20.897 10.567 1.00 25.39 H new ATOM 0 HB3 LYS A 5 17.390 21.034 11.933 1.00 25.39 H new ATOM 0 HG2 LYS A 5 19.102 21.982 10.122 1.00 26.67 H new ATOM 0 HG3 LYS A 5 17.657 22.271 9.173 1.00 26.67 H new ATOM 0 HD2 LYS A 5 16.692 23.417 11.322 1.00 27.67 H new ATOM 0 HD3 LYS A 5 18.338 23.401 11.924 1.00 27.67 H new ATOM 0 HE2 LYS A 5 18.856 24.425 9.472 1.00 29.03 H new ATOM 0 HE3 LYS A 5 17.182 24.932 9.589 1.00 29.03 H new ATOM 0 HZ1 LYS A 5 18.671 26.605 10.510 1.00 30.21 H new ATOM 0 HZ2 LYS A 5 17.677 25.975 11.734 1.00 30.21 H new ATOM 0 HZ3 LYS A 5 19.298 25.484 11.620 1.00 30.21 H new ATOM 99 N ALA A 6 17.055 18.601 12.387 1.00 22.49 N ATOM 100 CA ALA A 6 17.016 17.610 13.501 1.00 21.23 C ATOM 101 C ALA A 6 16.720 16.210 12.930 1.00 19.67 C ATOM 102 O ALA A 6 16.344 16.095 11.780 1.00 19.60 O ATOM 103 CB ALA A 6 15.917 18.001 14.492 1.00 21.36 C ATOM 0 H ALA A 6 16.258 19.236 12.345 1.00 22.49 H new ATOM 0 HA ALA A 6 17.978 17.598 14.013 1.00 21.23 H new ATOM 0 HB1 ALA A 6 15.887 17.277 15.307 1.00 21.36 H new ATOM 0 HB2 ALA A 6 16.126 18.992 14.894 1.00 21.36 H new ATOM 0 HB3 ALA A 6 14.954 18.012 13.982 1.00 21.36 H new ATOM 109 N PRO A 7 16.897 15.177 13.738 1.00 18.65 N ATOM 110 CA PRO A 7 16.641 13.797 13.286 1.00 17.26 C ATOM 111 C PRO A 7 15.173 13.640 12.876 1.00 16.69 C ATOM 112 O PRO A 7 14.283 14.169 13.514 1.00 16.98 O ATOM 113 CB PRO A 7 16.964 12.913 14.502 1.00 16.64 C ATOM 114 CG PRO A 7 17.409 13.843 15.658 1.00 17.78 C ATOM 115 CD PRO A 7 17.357 15.289 15.142 1.00 19.01 C ATOM 0 HA PRO A 7 17.242 13.526 12.418 1.00 17.26 H new ATOM 0 HB2 PRO A 7 16.090 12.331 14.795 1.00 16.64 H new ATOM 0 HB3 PRO A 7 17.753 12.202 14.258 1.00 16.64 H new ATOM 0 HG2 PRO A 7 16.754 13.721 16.520 1.00 17.78 H new ATOM 0 HG3 PRO A 7 18.417 13.590 15.986 1.00 17.78 H new ATOM 0 HD2 PRO A 7 16.672 15.896 15.735 1.00 19.01 H new ATOM 0 HD3 PRO A 7 18.336 15.765 15.200 1.00 19.01 H new ATOM 123 N GLN A 8 14.919 12.916 11.814 1.00 16.16 N ATOM 124 CA GLN A 8 13.511 12.720 11.354 1.00 15.87 C ATOM 125 C GLN A 8 12.714 11.991 12.439 1.00 14.88 C ATOM 126 O GLN A 8 11.529 12.210 12.601 1.00 15.48 O ATOM 127 CB GLN A 8 13.505 11.889 10.066 1.00 15.72 C ATOM 128 CG GLN A 8 14.241 10.564 10.299 1.00 14.87 C ATOM 129 CD GLN A 8 15.047 10.198 9.052 1.00 15.01 C ATOM 130 OE1 GLN A 8 14.542 10.257 7.948 1.00 15.61 O ATOM 131 NE2 GLN A 8 16.289 9.819 9.180 1.00 14.81 N ATOM 0 H GLN A 8 15.628 12.452 11.246 1.00 16.16 H new ATOM 0 HA GLN A 8 13.054 13.691 11.161 1.00 15.87 H new ATOM 0 HB2 GLN A 8 12.479 11.695 9.752 1.00 15.72 H new ATOM 0 HB3 GLN A 8 13.985 12.446 9.261 1.00 15.72 H new ATOM 0 HG2 GLN A 8 14.904 10.651 11.160 1.00 14.87 H new ATOM 0 HG3 GLN A 8 13.525 9.774 10.526 1.00 14.87 H new ATOM 0 HE21 GLN A 8 16.714 9.769 10.106 1.00 14.81 H new ATOM 0 HE22 GLN A 8 16.835 9.573 8.354 1.00 14.81 H new ATOM 140 N GLU A 9 13.359 11.125 13.181 1.00 13.66 N ATOM 141 CA GLU A 9 12.653 10.373 14.265 1.00 12.93 C ATOM 142 C GLU A 9 11.482 9.580 13.672 1.00 12.03 C ATOM 143 O GLU A 9 10.399 9.548 14.227 1.00 12.49 O ATOM 144 CB GLU A 9 12.130 11.360 15.313 1.00 13.96 C ATOM 145 CG GLU A 9 13.310 12.039 16.009 1.00 14.75 C ATOM 146 CD GLU A 9 13.763 11.186 17.196 1.00 14.58 C ATOM 147 OE1 GLU A 9 13.924 9.991 17.013 1.00 13.82 O ATOM 148 OE2 GLU A 9 13.940 11.742 18.266 1.00 15.49 O ATOM 0 H GLU A 9 14.350 10.905 13.082 1.00 13.66 H new ATOM 0 HA GLU A 9 13.350 9.679 14.735 1.00 12.93 H new ATOM 0 HB2 GLU A 9 11.495 12.108 14.838 1.00 13.96 H new ATOM 0 HB3 GLU A 9 11.514 10.837 16.045 1.00 13.96 H new ATOM 0 HG2 GLU A 9 14.133 12.170 15.307 1.00 14.75 H new ATOM 0 HG3 GLU A 9 13.021 13.033 16.351 1.00 14.75 H new ATOM 155 N THR A 10 11.695 8.940 12.550 1.00 11.06 N ATOM 156 CA THR A 10 10.602 8.146 11.916 1.00 10.33 C ATOM 157 C THR A 10 11.196 7.204 10.867 1.00 8.97 C ATOM 158 O THR A 10 11.750 7.638 9.873 1.00 9.33 O ATOM 159 CB THR A 10 9.604 9.095 11.248 1.00 11.63 C ATOM 160 OG1 THR A 10 8.636 8.336 10.536 1.00 11.41 O ATOM 161 CG2 THR A 10 10.342 10.022 10.280 1.00 12.83 C ATOM 0 H THR A 10 12.581 8.934 12.045 1.00 11.06 H new ATOM 0 HA THR A 10 10.089 7.559 12.679 1.00 10.33 H new ATOM 0 HB THR A 10 9.108 9.695 12.011 1.00 11.63 H new ATOM 0 HG1 THR A 10 7.995 8.942 10.109 1.00 11.41 H new ATOM 0 HG21 THR A 10 9.628 10.696 9.806 1.00 12.83 H new ATOM 0 HG22 THR A 10 11.083 10.604 10.828 1.00 12.83 H new ATOM 0 HG23 THR A 10 10.841 9.427 9.515 1.00 12.83 H new ATOM 169 N LEU A 11 11.085 5.917 11.083 1.00 7.78 N ATOM 170 CA LEU A 11 11.641 4.937 10.104 1.00 6.75 C ATOM 171 C LEU A 11 10.572 4.594 9.064 1.00 6.27 C ATOM 172 O LEU A 11 9.512 5.191 9.032 1.00 7.37 O ATOM 173 CB LEU A 11 12.066 3.665 10.842 1.00 6.20 C ATOM 174 CG LEU A 11 13.559 3.737 11.170 1.00 6.96 C ATOM 175 CD1 LEU A 11 13.800 4.831 12.212 1.00 8.27 C ATOM 176 CD2 LEU A 11 14.025 2.390 11.728 1.00 6.82 C ATOM 0 H LEU A 11 10.632 5.503 11.898 1.00 7.78 H new ATOM 0 HA LEU A 11 12.506 5.372 9.604 1.00 6.75 H new ATOM 0 HB2 LEU A 11 11.487 3.553 11.759 1.00 6.20 H new ATOM 0 HB3 LEU A 11 11.860 2.789 10.226 1.00 6.20 H new ATOM 0 HG LEU A 11 14.119 3.968 10.264 1.00 6.96 H new ATOM 0 HD11 LEU A 11 14.863 4.883 12.446 1.00 8.27 H new ATOM 0 HD12 LEU A 11 13.469 5.791 11.815 1.00 8.27 H new ATOM 0 HD13 LEU A 11 13.240 4.600 13.118 1.00 8.27 H new ATOM 0 HD21 LEU A 11 15.088 2.441 11.962 1.00 6.82 H new ATOM 0 HD22 LEU A 11 13.465 2.158 12.634 1.00 6.82 H new ATOM 0 HD23 LEU A 11 13.854 1.610 10.986 1.00 6.82 H new ATOM 188 N ASN A 12 10.844 3.637 8.213 1.00 5.04 N ATOM 189 CA ASN A 12 9.850 3.251 7.168 1.00 4.86 C ATOM 190 C ASN A 12 9.476 1.775 7.336 1.00 2.79 C ATOM 191 O ASN A 12 10.330 0.929 7.516 1.00 2.31 O ATOM 192 CB ASN A 12 10.460 3.470 5.781 1.00 6.30 C ATOM 193 CG ASN A 12 11.779 2.702 5.672 1.00 7.33 C ATOM 194 OD1 ASN A 12 12.834 3.242 5.942 1.00 8.05 O ATOM 195 ND2 ASN A 12 11.765 1.457 5.283 1.00 8.00 N ATOM 0 H ASN A 12 11.714 3.105 8.198 1.00 5.04 H new ATOM 0 HA ASN A 12 8.955 3.864 7.273 1.00 4.86 H new ATOM 0 HB2 ASN A 12 9.767 3.133 5.011 1.00 6.30 H new ATOM 0 HB3 ASN A 12 10.632 4.533 5.612 1.00 6.30 H new ATOM 0 HD21 ASN A 12 12.639 0.937 5.206 1.00 8.00 H new ATOM 0 HD22 ASN A 12 10.880 1.003 5.056 1.00 8.00 H new ATOM 202 N GLY A 13 8.204 1.464 7.277 1.00 2.03 N ATOM 203 CA GLY A 13 7.770 0.045 7.432 1.00 1.83 C ATOM 204 C GLY A 13 7.960 -0.701 6.109 1.00 1.41 C ATOM 205 O GLY A 13 8.969 -0.557 5.445 1.00 2.19 O ATOM 0 H GLY A 13 7.449 2.133 7.128 1.00 2.03 H new ATOM 0 HA2 GLY A 13 8.349 -0.438 8.219 1.00 1.83 H new ATOM 0 HA3 GLY A 13 6.724 0.006 7.736 1.00 1.83 H new ATOM 209 N GLY A 14 6.993 -1.492 5.726 1.00 1.96 N ATOM 210 CA GLY A 14 7.095 -2.253 4.445 1.00 1.53 C ATOM 211 C GLY A 14 5.895 -1.900 3.571 1.00 1.25 C ATOM 212 O GLY A 14 5.330 -2.742 2.898 1.00 1.32 O ATOM 0 H GLY A 14 6.131 -1.645 6.249 1.00 1.96 H new ATOM 0 HA2 GLY A 14 8.023 -2.005 3.931 1.00 1.53 H new ATOM 0 HA3 GLY A 14 7.117 -3.325 4.643 1.00 1.53 H new ATOM 216 N ILE A 15 5.502 -0.656 3.590 1.00 1.06 N ATOM 217 CA ILE A 15 4.334 -0.212 2.782 1.00 0.85 C ATOM 218 C ILE A 15 4.710 -0.115 1.313 1.00 0.61 C ATOM 219 O ILE A 15 4.177 -0.817 0.482 1.00 0.73 O ATOM 220 CB ILE A 15 3.897 1.173 3.240 1.00 0.70 C ATOM 221 CG1 ILE A 15 3.700 1.190 4.756 1.00 0.98 C ATOM 222 CG2 ILE A 15 2.585 1.540 2.550 1.00 0.76 C ATOM 223 CD1 ILE A 15 3.276 2.592 5.181 1.00 1.20 C ATOM 0 H ILE A 15 5.947 0.080 4.138 1.00 1.06 H new ATOM 0 HA ILE A 15 3.532 -0.938 2.914 1.00 0.85 H new ATOM 0 HB ILE A 15 4.668 1.897 2.977 1.00 0.70 H new ATOM 0 HG12 ILE A 15 2.942 0.462 5.046 1.00 0.98 H new ATOM 0 HG13 ILE A 15 4.624 0.906 5.260 1.00 0.98 H new ATOM 0 HG21 ILE A 15 2.268 2.531 2.875 1.00 0.76 H new ATOM 0 HG22 ILE A 15 2.730 1.541 1.470 1.00 0.76 H new ATOM 0 HG23 ILE A 15 1.819 0.810 2.812 1.00 0.76 H new ATOM 0 HD11 ILE A 15 3.132 2.617 6.261 1.00 1.20 H new ATOM 0 HD12 ILE A 15 4.050 3.307 4.901 1.00 1.20 H new ATOM 0 HD13 ILE A 15 2.342 2.856 4.685 1.00 1.20 H new ATOM 235 N THR A 16 5.594 0.787 0.991 1.00 0.45 N ATOM 236 CA THR A 16 5.982 0.988 -0.426 1.00 0.44 C ATOM 237 C THR A 16 6.568 -0.299 -1.019 1.00 0.44 C ATOM 238 O THR A 16 6.534 -0.507 -2.216 1.00 0.49 O ATOM 239 CB THR A 16 7.019 2.111 -0.518 1.00 0.65 C ATOM 240 OG1 THR A 16 7.565 2.142 -1.830 1.00 0.86 O ATOM 241 CG2 THR A 16 8.139 1.867 0.498 1.00 0.83 C ATOM 0 H THR A 16 6.067 1.397 1.658 1.00 0.45 H new ATOM 0 HA THR A 16 5.092 1.258 -0.994 1.00 0.44 H new ATOM 0 HB THR A 16 6.539 3.065 -0.299 1.00 0.65 H new ATOM 0 HG1 THR A 16 8.228 2.861 -1.892 1.00 0.86 H new ATOM 0 HG21 THR A 16 8.874 2.669 0.429 1.00 0.83 H new ATOM 0 HG22 THR A 16 7.719 1.845 1.504 1.00 0.83 H new ATOM 0 HG23 THR A 16 8.621 0.913 0.286 1.00 0.83 H new ATOM 249 N ASP A 17 7.117 -1.155 -0.194 1.00 0.54 N ATOM 250 CA ASP A 17 7.721 -2.421 -0.711 1.00 0.65 C ATOM 251 C ASP A 17 6.633 -3.471 -0.956 1.00 0.66 C ATOM 252 O ASP A 17 6.420 -3.906 -2.073 1.00 0.81 O ATOM 253 CB ASP A 17 8.719 -2.960 0.316 1.00 0.82 C ATOM 254 CG ASP A 17 10.014 -2.149 0.245 1.00 1.39 C ATOM 255 OD1 ASP A 17 10.050 -1.074 0.822 1.00 2.68 O ATOM 256 OD2 ASP A 17 10.950 -2.616 -0.384 1.00 1.98 O ATOM 0 H ASP A 17 7.173 -1.031 0.817 1.00 0.54 H new ATOM 0 HA ASP A 17 8.229 -2.211 -1.653 1.00 0.65 H new ATOM 0 HB2 ASP A 17 8.294 -2.899 1.318 1.00 0.82 H new ATOM 0 HB3 ASP A 17 8.925 -4.012 0.120 1.00 0.82 H new ATOM 261 N MET A 18 5.959 -3.894 0.082 1.00 0.64 N ATOM 262 CA MET A 18 4.895 -4.934 -0.071 1.00 0.70 C ATOM 263 C MET A 18 3.819 -4.475 -1.063 1.00 0.62 C ATOM 264 O MET A 18 3.097 -5.290 -1.618 1.00 0.67 O ATOM 265 CB MET A 18 4.248 -5.195 1.290 1.00 0.85 C ATOM 266 CG MET A 18 5.217 -5.979 2.178 1.00 1.21 C ATOM 267 SD MET A 18 5.149 -7.735 1.744 1.00 2.16 S ATOM 268 CE MET A 18 5.354 -8.392 3.417 1.00 2.10 C ATOM 0 H MET A 18 6.100 -3.562 1.036 1.00 0.64 H new ATOM 0 HA MET A 18 5.353 -5.846 -0.454 1.00 0.70 H new ATOM 0 HB2 MET A 18 3.986 -4.250 1.766 1.00 0.85 H new ATOM 0 HB3 MET A 18 3.322 -5.755 1.162 1.00 0.85 H new ATOM 0 HG2 MET A 18 6.231 -5.601 2.050 1.00 1.21 H new ATOM 0 HG3 MET A 18 4.956 -5.843 3.228 1.00 1.21 H new ATOM 0 HE1 MET A 18 5.341 -9.481 3.384 1.00 2.10 H new ATOM 0 HE2 MET A 18 6.305 -8.052 3.827 1.00 2.10 H new ATOM 0 HE3 MET A 18 4.539 -8.039 4.049 1.00 2.10 H new ATOM 278 N LEU A 19 3.709 -3.190 -1.308 1.00 0.55 N ATOM 279 CA LEU A 19 2.683 -2.707 -2.274 1.00 0.56 C ATOM 280 C LEU A 19 3.228 -2.934 -3.674 1.00 0.51 C ATOM 281 O LEU A 19 2.537 -3.391 -4.565 1.00 0.57 O ATOM 282 CB LEU A 19 2.403 -1.218 -2.056 1.00 0.59 C ATOM 283 CG LEU A 19 1.081 -1.058 -1.301 1.00 0.54 C ATOM 284 CD1 LEU A 19 1.281 -1.430 0.169 1.00 1.91 C ATOM 285 CD2 LEU A 19 0.606 0.389 -1.401 1.00 1.86 C ATOM 0 H LEU A 19 4.283 -2.463 -0.882 1.00 0.55 H new ATOM 0 HA LEU A 19 1.747 -3.247 -2.133 1.00 0.56 H new ATOM 0 HB2 LEU A 19 3.216 -0.762 -1.490 1.00 0.59 H new ATOM 0 HB3 LEU A 19 2.353 -0.701 -3.014 1.00 0.59 H new ATOM 0 HG LEU A 19 0.332 -1.716 -1.742 1.00 0.54 H new ATOM 0 HD11 LEU A 19 0.339 -1.315 0.705 1.00 1.91 H new ATOM 0 HD12 LEU A 19 1.615 -2.465 0.240 1.00 1.91 H new ATOM 0 HD13 LEU A 19 2.032 -0.775 0.611 1.00 1.91 H new ATOM 0 HD21 LEU A 19 -0.335 0.501 -0.863 1.00 1.86 H new ATOM 0 HD22 LEU A 19 1.355 1.049 -0.963 1.00 1.86 H new ATOM 0 HD23 LEU A 19 0.459 0.652 -2.448 1.00 1.86 H new ATOM 297 N VAL A 20 4.483 -2.638 -3.852 1.00 0.47 N ATOM 298 CA VAL A 20 5.133 -2.848 -5.168 1.00 0.52 C ATOM 299 C VAL A 20 5.287 -4.360 -5.422 1.00 0.52 C ATOM 300 O VAL A 20 5.525 -4.780 -6.536 1.00 0.61 O ATOM 301 CB VAL A 20 6.506 -2.166 -5.147 1.00 0.57 C ATOM 302 CG1 VAL A 20 7.228 -2.399 -6.469 1.00 0.71 C ATOM 303 CG2 VAL A 20 6.315 -0.662 -4.939 1.00 0.60 C ATOM 0 H VAL A 20 5.092 -2.254 -3.130 1.00 0.47 H new ATOM 0 HA VAL A 20 4.528 -2.419 -5.967 1.00 0.52 H new ATOM 0 HB VAL A 20 7.101 -2.585 -4.336 1.00 0.57 H new ATOM 0 HG11 VAL A 20 8.202 -1.910 -6.443 1.00 0.71 H new ATOM 0 HG12 VAL A 20 7.363 -3.469 -6.626 1.00 0.71 H new ATOM 0 HG13 VAL A 20 6.636 -1.985 -7.285 1.00 0.71 H new ATOM 0 HG21 VAL A 20 7.288 -0.170 -4.923 1.00 0.60 H new ATOM 0 HG22 VAL A 20 5.716 -0.255 -5.754 1.00 0.60 H new ATOM 0 HG23 VAL A 20 5.805 -0.488 -3.992 1.00 0.60 H new ATOM 313 N GLU A 21 5.150 -5.176 -4.397 1.00 0.58 N ATOM 314 CA GLU A 21 5.281 -6.650 -4.583 1.00 0.66 C ATOM 315 C GLU A 21 4.026 -7.180 -5.279 1.00 0.65 C ATOM 316 O GLU A 21 4.105 -7.888 -6.273 1.00 0.66 O ATOM 317 CB GLU A 21 5.434 -7.326 -3.219 1.00 0.82 C ATOM 318 CG GLU A 21 5.895 -8.771 -3.414 1.00 1.60 C ATOM 319 CD GLU A 21 5.445 -9.615 -2.220 1.00 2.57 C ATOM 320 OE1 GLU A 21 5.836 -9.293 -1.110 1.00 3.08 O ATOM 321 OE2 GLU A 21 4.717 -10.569 -2.436 1.00 3.79 O ATOM 0 H GLU A 21 4.953 -4.878 -3.442 1.00 0.58 H new ATOM 0 HA GLU A 21 6.158 -6.867 -5.192 1.00 0.66 H new ATOM 0 HB2 GLU A 21 6.156 -6.782 -2.611 1.00 0.82 H new ATOM 0 HB3 GLU A 21 4.485 -7.305 -2.683 1.00 0.82 H new ATOM 0 HG2 GLU A 21 5.479 -9.176 -4.337 1.00 1.60 H new ATOM 0 HG3 GLU A 21 6.980 -8.808 -3.511 1.00 1.60 H new ATOM 328 N LEU A 22 2.859 -6.838 -4.774 1.00 0.74 N ATOM 329 CA LEU A 22 1.601 -7.322 -5.423 1.00 0.86 C ATOM 330 C LEU A 22 1.567 -6.837 -6.872 1.00 0.77 C ATOM 331 O LEU A 22 1.122 -7.541 -7.754 1.00 0.85 O ATOM 332 CB LEU A 22 0.372 -6.796 -4.680 1.00 1.12 C ATOM 333 CG LEU A 22 -0.784 -7.785 -4.865 1.00 1.21 C ATOM 334 CD1 LEU A 22 -1.978 -7.342 -4.026 1.00 1.57 C ATOM 335 CD2 LEU A 22 -1.197 -7.827 -6.338 1.00 2.12 C ATOM 0 H LEU A 22 2.728 -6.251 -3.950 1.00 0.74 H new ATOM 0 HA LEU A 22 1.584 -8.411 -5.392 1.00 0.86 H new ATOM 0 HB2 LEU A 22 0.597 -6.673 -3.620 1.00 1.12 H new ATOM 0 HB3 LEU A 22 0.092 -5.814 -5.062 1.00 1.12 H new ATOM 0 HG LEU A 22 -0.459 -8.775 -4.547 1.00 1.21 H new ATOM 0 HD11 LEU A 22 -2.798 -8.047 -4.160 1.00 1.57 H new ATOM 0 HD12 LEU A 22 -1.693 -7.312 -2.974 1.00 1.57 H new ATOM 0 HD13 LEU A 22 -2.298 -6.349 -4.343 1.00 1.57 H new ATOM 0 HD21 LEU A 22 -2.019 -8.531 -6.465 1.00 2.12 H new ATOM 0 HD22 LEU A 22 -1.517 -6.834 -6.655 1.00 2.12 H new ATOM 0 HD23 LEU A 22 -0.349 -8.145 -6.945 1.00 2.12 H new ATOM 347 N ALA A 23 2.060 -5.652 -7.126 1.00 0.70 N ATOM 348 CA ALA A 23 2.086 -5.143 -8.526 1.00 0.76 C ATOM 349 C ALA A 23 3.112 -5.965 -9.310 1.00 0.72 C ATOM 350 O ALA A 23 2.955 -6.218 -10.489 1.00 0.81 O ATOM 351 CB ALA A 23 2.487 -3.668 -8.536 1.00 0.88 C ATOM 0 H ALA A 23 2.444 -5.018 -6.425 1.00 0.70 H new ATOM 0 HA ALA A 23 1.099 -5.236 -8.980 1.00 0.76 H new ATOM 0 HB1 ALA A 23 2.504 -3.303 -9.563 1.00 0.88 H new ATOM 0 HB2 ALA A 23 1.766 -3.091 -7.957 1.00 0.88 H new ATOM 0 HB3 ALA A 23 3.478 -3.557 -8.095 1.00 0.88 H new ATOM 357 N ASN A 24 4.156 -6.398 -8.645 1.00 0.67 N ATOM 358 CA ASN A 24 5.200 -7.224 -9.315 1.00 0.75 C ATOM 359 C ASN A 24 4.577 -8.524 -9.841 1.00 0.86 C ATOM 360 O ASN A 24 5.139 -9.172 -10.700 1.00 1.08 O ATOM 361 CB ASN A 24 6.303 -7.561 -8.308 1.00 0.92 C ATOM 362 CG ASN A 24 7.613 -7.824 -9.053 1.00 1.56 C ATOM 363 OD1 ASN A 24 7.834 -7.291 -10.123 1.00 2.05 O ATOM 364 ND2 ASN A 24 8.496 -8.627 -8.528 1.00 2.44 N ATOM 0 H ASN A 24 4.328 -6.211 -7.657 1.00 0.67 H new ATOM 0 HA ASN A 24 5.622 -6.664 -10.150 1.00 0.75 H new ATOM 0 HB2 ASN A 24 6.431 -6.738 -7.605 1.00 0.92 H new ATOM 0 HB3 ASN A 24 6.022 -8.438 -7.725 1.00 0.92 H new ATOM 0 HD21 ASN A 24 9.374 -8.809 -9.015 1.00 2.44 H new ATOM 0 HD22 ASN A 24 8.309 -9.073 -7.630 1.00 2.44 H new ATOM 371 N PHE A 25 3.420 -8.907 -9.324 1.00 0.84 N ATOM 372 CA PHE A 25 2.723 -10.169 -9.778 1.00 1.12 C ATOM 373 C PHE A 25 2.820 -10.328 -11.308 1.00 1.38 C ATOM 374 O PHE A 25 3.250 -11.350 -11.806 1.00 1.73 O ATOM 375 CB PHE A 25 1.248 -10.093 -9.359 1.00 1.02 C ATOM 376 CG PHE A 25 1.069 -10.731 -7.999 1.00 1.06 C ATOM 377 CD1 PHE A 25 1.888 -10.352 -6.927 1.00 1.84 C ATOM 378 CD2 PHE A 25 0.080 -11.705 -7.812 1.00 2.30 C ATOM 379 CE1 PHE A 25 1.716 -10.947 -5.670 1.00 1.96 C ATOM 380 CE2 PHE A 25 -0.090 -12.299 -6.556 1.00 2.37 C ATOM 381 CZ PHE A 25 0.728 -11.920 -5.486 1.00 1.37 C ATOM 0 H PHE A 25 2.924 -8.391 -8.597 1.00 0.84 H new ATOM 0 HA PHE A 25 3.205 -11.031 -9.316 1.00 1.12 H new ATOM 0 HB2 PHE A 25 0.922 -9.053 -9.329 1.00 1.02 H new ATOM 0 HB3 PHE A 25 0.625 -10.602 -10.094 1.00 1.02 H new ATOM 0 HD1 PHE A 25 2.652 -9.602 -7.070 1.00 1.84 H new ATOM 0 HD2 PHE A 25 -0.552 -11.998 -8.637 1.00 2.30 H new ATOM 0 HE1 PHE A 25 2.346 -10.654 -4.843 1.00 1.96 H new ATOM 0 HE2 PHE A 25 -0.853 -13.050 -6.413 1.00 2.37 H new ATOM 0 HZ PHE A 25 0.596 -12.379 -4.517 1.00 1.37 H new ATOM 391 N GLU A 26 2.455 -9.305 -12.045 1.00 1.37 N ATOM 392 CA GLU A 26 2.550 -9.355 -13.543 1.00 1.72 C ATOM 393 C GLU A 26 1.954 -10.654 -14.104 1.00 1.81 C ATOM 394 O GLU A 26 2.342 -11.110 -15.164 1.00 2.17 O ATOM 395 CB GLU A 26 4.020 -9.264 -13.953 1.00 2.07 C ATOM 396 CG GLU A 26 4.427 -7.795 -14.082 1.00 2.86 C ATOM 397 CD GLU A 26 5.566 -7.669 -15.096 1.00 3.14 C ATOM 398 OE1 GLU A 26 5.348 -8.006 -16.247 1.00 3.63 O ATOM 399 OE2 GLU A 26 6.637 -7.235 -14.702 1.00 3.77 O ATOM 0 H GLU A 26 2.092 -8.429 -11.670 1.00 1.37 H new ATOM 0 HA GLU A 26 1.983 -8.517 -13.948 1.00 1.72 H new ATOM 0 HB2 GLU A 26 4.646 -9.762 -13.212 1.00 2.07 H new ATOM 0 HB3 GLU A 26 4.176 -9.780 -14.901 1.00 2.07 H new ATOM 0 HG2 GLU A 26 3.574 -7.197 -14.401 1.00 2.86 H new ATOM 0 HG3 GLU A 26 4.743 -7.408 -13.113 1.00 2.86 H new ATOM 406 N LYS A 27 1.022 -11.248 -13.407 1.00 1.65 N ATOM 407 CA LYS A 27 0.407 -12.513 -13.906 1.00 1.82 C ATOM 408 C LYS A 27 -1.042 -12.595 -13.428 1.00 1.80 C ATOM 409 O LYS A 27 -1.969 -12.476 -14.207 1.00 1.93 O ATOM 410 CB LYS A 27 1.193 -13.711 -13.365 1.00 2.03 C ATOM 411 CG LYS A 27 2.225 -14.157 -14.404 1.00 2.68 C ATOM 412 CD LYS A 27 1.517 -14.890 -15.544 1.00 4.04 C ATOM 413 CE LYS A 27 2.492 -15.095 -16.705 1.00 5.03 C ATOM 414 NZ LYS A 27 1.724 -15.287 -17.969 1.00 6.51 N ATOM 0 H LYS A 27 0.660 -10.912 -12.514 1.00 1.65 H new ATOM 0 HA LYS A 27 0.432 -12.526 -14.996 1.00 1.82 H new ATOM 0 HB2 LYS A 27 1.692 -13.442 -12.434 1.00 2.03 H new ATOM 0 HB3 LYS A 27 0.513 -14.532 -13.136 1.00 2.03 H new ATOM 0 HG2 LYS A 27 2.763 -13.292 -14.792 1.00 2.68 H new ATOM 0 HG3 LYS A 27 2.964 -14.811 -13.941 1.00 2.68 H new ATOM 0 HD2 LYS A 27 1.144 -15.853 -15.195 1.00 4.04 H new ATOM 0 HD3 LYS A 27 0.653 -14.316 -15.878 1.00 4.04 H new ATOM 0 HE2 LYS A 27 3.153 -14.233 -16.796 1.00 5.03 H new ATOM 0 HE3 LYS A 27 3.124 -15.963 -16.515 1.00 5.03 H new ATOM 0 HZ1 LYS A 27 2.385 -15.427 -18.759 1.00 6.51 H new ATOM 0 HZ2 LYS A 27 1.111 -16.122 -17.879 1.00 6.51 H new ATOM 0 HZ3 LYS A 27 1.139 -14.446 -18.151 1.00 6.51 H new ATOM 428 N ASN A 28 -1.236 -12.796 -12.153 1.00 1.78 N ATOM 429 CA ASN A 28 -2.620 -12.888 -11.605 1.00 1.95 C ATOM 430 C ASN A 28 -3.150 -11.490 -11.252 1.00 1.71 C ATOM 431 O ASN A 28 -4.213 -11.360 -10.675 1.00 1.89 O ATOM 432 CB ASN A 28 -2.600 -13.752 -10.343 1.00 2.20 C ATOM 433 CG ASN A 28 -4.005 -14.293 -10.067 1.00 2.77 C ATOM 434 OD1 ASN A 28 -4.520 -14.150 -8.977 1.00 3.04 O ATOM 435 ND2 ASN A 28 -4.650 -14.915 -11.018 1.00 3.76 N ATOM 0 H ASN A 28 -0.492 -12.901 -11.464 1.00 1.78 H new ATOM 0 HA ASN A 28 -3.272 -13.333 -12.357 1.00 1.95 H new ATOM 0 HB2 ASN A 28 -1.900 -14.578 -10.467 1.00 2.20 H new ATOM 0 HB3 ASN A 28 -2.253 -13.164 -9.493 1.00 2.20 H new ATOM 0 HD21 ASN A 28 -5.586 -15.280 -10.845 1.00 3.76 H new ATOM 0 HD22 ASN A 28 -4.217 -15.035 -11.934 1.00 3.76 H new ATOM 442 N VAL A 29 -2.422 -10.443 -11.579 1.00 1.66 N ATOM 443 CA VAL A 29 -2.895 -9.066 -11.244 1.00 1.61 C ATOM 444 C VAL A 29 -2.788 -8.163 -12.481 1.00 2.17 C ATOM 445 O VAL A 29 -3.691 -7.403 -12.778 1.00 3.13 O ATOM 446 CB VAL A 29 -2.033 -8.496 -10.106 1.00 1.16 C ATOM 447 CG1 VAL A 29 -2.524 -7.093 -9.733 1.00 1.27 C ATOM 448 CG2 VAL A 29 -2.132 -9.408 -8.874 1.00 1.08 C ATOM 0 H VAL A 29 -1.525 -10.487 -12.062 1.00 1.66 H new ATOM 0 HA VAL A 29 -3.937 -9.107 -10.925 1.00 1.61 H new ATOM 0 HB VAL A 29 -0.997 -8.442 -10.440 1.00 1.16 H new ATOM 0 HG11 VAL A 29 -1.909 -6.695 -8.926 1.00 1.27 H new ATOM 0 HG12 VAL A 29 -2.451 -6.439 -10.602 1.00 1.27 H new ATOM 0 HG13 VAL A 29 -3.562 -7.146 -9.405 1.00 1.27 H new ATOM 0 HG21 VAL A 29 -1.520 -9.001 -8.070 1.00 1.08 H new ATOM 0 HG22 VAL A 29 -3.170 -9.466 -8.546 1.00 1.08 H new ATOM 0 HG23 VAL A 29 -1.777 -10.406 -9.131 1.00 1.08 H new ATOM 458 N SER A 30 -1.691 -8.230 -13.190 1.00 2.19 N ATOM 459 CA SER A 30 -1.521 -7.366 -14.397 1.00 2.88 C ATOM 460 C SER A 30 -2.521 -7.778 -15.480 1.00 3.00 C ATOM 461 O SER A 30 -2.240 -8.628 -16.303 1.00 3.50 O ATOM 462 CB SER A 30 -0.100 -7.521 -14.938 1.00 3.38 C ATOM 463 OG SER A 30 0.158 -8.895 -15.191 1.00 3.40 O ATOM 0 H SER A 30 -0.904 -8.846 -12.985 1.00 2.19 H new ATOM 0 HA SER A 30 -1.699 -6.327 -14.119 1.00 2.88 H new ATOM 0 HB2 SER A 30 0.018 -6.942 -15.854 1.00 3.38 H new ATOM 0 HB3 SER A 30 0.620 -7.130 -14.219 1.00 3.38 H new ATOM 0 HG SER A 30 -0.570 -9.271 -15.728 1.00 3.40 H new ATOM 469 N GLN A 31 -3.684 -7.176 -15.485 1.00 3.68 N ATOM 470 CA GLN A 31 -4.706 -7.525 -16.516 1.00 4.25 C ATOM 471 C GLN A 31 -5.789 -6.440 -16.571 1.00 4.42 C ATOM 472 O GLN A 31 -6.922 -6.706 -16.924 1.00 5.39 O ATOM 473 CB GLN A 31 -5.349 -8.866 -16.155 1.00 5.25 C ATOM 474 CG GLN A 31 -6.023 -9.463 -17.393 1.00 6.12 C ATOM 475 CD GLN A 31 -6.421 -10.911 -17.106 1.00 6.63 C ATOM 476 OE1 GLN A 31 -5.706 -11.831 -17.454 1.00 6.83 O ATOM 477 NE2 GLN A 31 -7.540 -11.156 -16.482 1.00 7.47 N ATOM 0 H GLN A 31 -3.969 -6.458 -14.819 1.00 3.68 H new ATOM 0 HA GLN A 31 -4.223 -7.596 -17.490 1.00 4.25 H new ATOM 0 HB2 GLN A 31 -4.593 -9.552 -15.774 1.00 5.25 H new ATOM 0 HB3 GLN A 31 -6.083 -8.727 -15.361 1.00 5.25 H new ATOM 0 HG2 GLN A 31 -6.904 -8.878 -17.659 1.00 6.12 H new ATOM 0 HG3 GLN A 31 -5.344 -9.423 -18.245 1.00 6.12 H new ATOM 0 HE21 GLN A 31 -8.140 -10.385 -16.190 1.00 7.47 H new ATOM 0 HE22 GLN A 31 -7.815 -12.119 -16.286 1.00 7.47 H new ATOM 486 N ALA A 32 -5.456 -5.220 -16.210 1.00 4.02 N ATOM 487 CA ALA A 32 -6.466 -4.116 -16.222 1.00 4.47 C ATOM 488 C ALA A 32 -7.470 -4.404 -15.118 1.00 3.66 C ATOM 489 O ALA A 32 -8.664 -4.228 -15.271 1.00 4.34 O ATOM 490 CB ALA A 32 -7.183 -4.052 -17.578 1.00 5.71 C ATOM 0 H ALA A 32 -4.522 -4.943 -15.906 1.00 4.02 H new ATOM 0 HA ALA A 32 -5.975 -3.156 -16.061 1.00 4.47 H new ATOM 0 HB1 ALA A 32 -7.913 -3.243 -17.566 1.00 5.71 H new ATOM 0 HB2 ALA A 32 -6.453 -3.870 -18.367 1.00 5.71 H new ATOM 0 HB3 ALA A 32 -7.692 -4.997 -17.765 1.00 5.71 H new ATOM 496 N ILE A 33 -6.975 -4.876 -14.009 1.00 2.63 N ATOM 497 CA ILE A 33 -7.856 -5.226 -12.867 1.00 2.33 C ATOM 498 C ILE A 33 -8.029 -4.016 -11.944 1.00 2.39 C ATOM 499 O ILE A 33 -7.187 -3.139 -11.890 1.00 2.93 O ATOM 500 CB ILE A 33 -7.224 -6.385 -12.092 1.00 2.52 C ATOM 501 CG1 ILE A 33 -6.801 -7.498 -13.063 1.00 3.13 C ATOM 502 CG2 ILE A 33 -8.236 -6.932 -11.104 1.00 3.50 C ATOM 503 CD1 ILE A 33 -6.098 -8.621 -12.296 1.00 3.55 C ATOM 0 H ILE A 33 -5.981 -5.036 -13.846 1.00 2.63 H new ATOM 0 HA ILE A 33 -8.837 -5.521 -13.240 1.00 2.33 H new ATOM 0 HB ILE A 33 -6.343 -6.026 -11.559 1.00 2.52 H new ATOM 0 HG12 ILE A 33 -7.675 -7.892 -13.581 1.00 3.13 H new ATOM 0 HG13 ILE A 33 -6.134 -7.094 -13.825 1.00 3.13 H new ATOM 0 HG21 ILE A 33 -7.792 -7.758 -10.548 1.00 3.50 H new ATOM 0 HG22 ILE A 33 -8.530 -6.144 -10.410 1.00 3.50 H new ATOM 0 HG23 ILE A 33 -9.115 -7.287 -11.642 1.00 3.50 H new ATOM 0 HD11 ILE A 33 -5.801 -9.406 -12.991 1.00 3.55 H new ATOM 0 HD12 ILE A 33 -5.213 -8.223 -11.799 1.00 3.55 H new ATOM 0 HD13 ILE A 33 -6.778 -9.034 -11.551 1.00 3.55 H new ATOM 515 N HIS A 34 -9.122 -3.965 -11.218 1.00 2.52 N ATOM 516 CA HIS A 34 -9.362 -2.815 -10.295 1.00 2.81 C ATOM 517 C HIS A 34 -8.386 -2.895 -9.117 1.00 2.27 C ATOM 518 O HIS A 34 -7.784 -1.910 -8.734 1.00 2.63 O ATOM 519 CB HIS A 34 -10.805 -2.857 -9.779 1.00 3.69 C ATOM 520 CG HIS A 34 -11.083 -4.195 -9.150 1.00 3.82 C ATOM 521 ND1 HIS A 34 -10.865 -4.437 -7.802 1.00 4.90 N ATOM 522 CD2 HIS A 34 -11.562 -5.372 -9.669 1.00 3.63 C ATOM 523 CE1 HIS A 34 -11.209 -5.713 -7.559 1.00 5.03 C ATOM 524 NE2 HIS A 34 -11.640 -6.330 -8.663 1.00 4.30 N ATOM 0 H HIS A 34 -9.857 -4.672 -11.227 1.00 2.52 H new ATOM 0 HA HIS A 34 -9.204 -1.880 -10.832 1.00 2.81 H new ATOM 0 HB2 HIS A 34 -10.963 -2.062 -9.050 1.00 3.69 H new ATOM 0 HB3 HIS A 34 -11.500 -2.680 -10.600 1.00 3.69 H new ATOM 0 HD2 HIS A 34 -11.837 -5.530 -10.701 1.00 3.63 H new ATOM 0 HE1 HIS A 34 -11.145 -6.183 -6.589 1.00 5.03 H new ATOM 0 HE2 HIS A 34 -11.958 -7.295 -8.750 1.00 4.30 H new ATOM 532 N LYS A 35 -8.217 -4.064 -8.552 1.00 1.80 N ATOM 533 CA LYS A 35 -7.269 -4.217 -7.409 1.00 1.40 C ATOM 534 C LYS A 35 -5.837 -4.043 -7.930 1.00 0.99 C ATOM 535 O LYS A 35 -4.954 -3.606 -7.217 1.00 0.99 O ATOM 536 CB LYS A 35 -7.437 -5.611 -6.792 1.00 1.27 C ATOM 537 CG LYS A 35 -7.478 -5.500 -5.266 1.00 2.67 C ATOM 538 CD LYS A 35 -7.645 -6.893 -4.656 1.00 2.62 C ATOM 539 CE LYS A 35 -7.060 -6.905 -3.243 1.00 4.26 C ATOM 540 NZ LYS A 35 -7.090 -8.294 -2.703 1.00 4.74 N ATOM 0 H LYS A 35 -8.696 -4.919 -8.834 1.00 1.80 H new ATOM 0 HA LYS A 35 -7.474 -3.465 -6.647 1.00 1.40 H new ATOM 0 HB2 LYS A 35 -8.355 -6.072 -7.157 1.00 1.27 H new ATOM 0 HB3 LYS A 35 -6.613 -6.256 -7.097 1.00 1.27 H new ATOM 0 HG2 LYS A 35 -6.561 -5.039 -4.900 1.00 2.67 H new ATOM 0 HG3 LYS A 35 -8.303 -4.856 -4.960 1.00 2.67 H new ATOM 0 HD2 LYS A 35 -8.700 -7.164 -4.626 1.00 2.62 H new ATOM 0 HD3 LYS A 35 -7.142 -7.636 -5.276 1.00 2.62 H new ATOM 0 HE2 LYS A 35 -6.036 -6.532 -3.259 1.00 4.26 H new ATOM 0 HE3 LYS A 35 -7.632 -6.240 -2.596 1.00 4.26 H new ATOM 0 HZ1 LYS A 35 -6.692 -8.302 -1.742 1.00 4.74 H new ATOM 0 HZ2 LYS A 35 -8.072 -8.634 -2.674 1.00 4.74 H new ATOM 0 HZ3 LYS A 35 -6.526 -8.917 -3.316 1.00 4.74 H new ATOM 554 N TYR A 36 -5.611 -4.380 -9.175 1.00 0.88 N ATOM 555 CA TYR A 36 -4.254 -4.241 -9.781 1.00 0.71 C ATOM 556 C TYR A 36 -3.780 -2.781 -9.655 1.00 0.59 C ATOM 557 O TYR A 36 -2.728 -2.515 -9.104 1.00 0.64 O ATOM 558 CB TYR A 36 -4.355 -4.684 -11.258 1.00 1.06 C ATOM 559 CG TYR A 36 -3.158 -4.248 -12.077 1.00 1.31 C ATOM 560 CD1 TYR A 36 -1.865 -4.341 -11.553 1.00 1.57 C ATOM 561 CD2 TYR A 36 -3.356 -3.759 -13.372 1.00 2.92 C ATOM 562 CE1 TYR A 36 -0.770 -3.944 -12.324 1.00 1.66 C ATOM 563 CE2 TYR A 36 -2.263 -3.361 -14.144 1.00 3.32 C ATOM 564 CZ TYR A 36 -0.967 -3.453 -13.622 1.00 2.12 C ATOM 565 OH TYR A 36 0.115 -3.061 -14.384 1.00 2.58 O ATOM 0 H TYR A 36 -6.322 -4.751 -9.806 1.00 0.88 H new ATOM 0 HA TYR A 36 -3.522 -4.865 -9.267 1.00 0.71 H new ATOM 0 HB2 TYR A 36 -4.446 -5.769 -11.303 1.00 1.06 H new ATOM 0 HB3 TYR A 36 -5.262 -4.269 -11.697 1.00 1.06 H new ATOM 0 HD1 TYR A 36 -1.713 -4.719 -10.553 1.00 1.57 H new ATOM 0 HD2 TYR A 36 -4.355 -3.689 -13.775 1.00 2.92 H new ATOM 0 HE1 TYR A 36 0.229 -4.015 -11.920 1.00 1.66 H new ATOM 0 HE2 TYR A 36 -2.417 -2.982 -15.144 1.00 3.32 H new ATOM 0 HH TYR A 36 -0.197 -2.747 -15.258 1.00 2.58 H new ATOM 575 N ASN A 37 -4.547 -1.844 -10.151 1.00 0.58 N ATOM 576 CA ASN A 37 -4.140 -0.409 -10.047 1.00 0.64 C ATOM 577 C ASN A 37 -4.244 0.066 -8.587 1.00 0.62 C ATOM 578 O ASN A 37 -3.759 1.126 -8.242 1.00 0.72 O ATOM 579 CB ASN A 37 -5.049 0.449 -10.933 1.00 0.82 C ATOM 580 CG ASN A 37 -6.512 0.242 -10.535 1.00 2.10 C ATOM 581 OD1 ASN A 37 -6.855 0.310 -9.372 1.00 3.61 O ATOM 582 ND2 ASN A 37 -7.398 -0.005 -11.462 1.00 2.97 N ATOM 0 H ASN A 37 -5.436 -2.009 -10.623 1.00 0.58 H new ATOM 0 HA ASN A 37 -3.107 -0.308 -10.380 1.00 0.64 H new ATOM 0 HB2 ASN A 37 -4.781 1.501 -10.833 1.00 0.82 H new ATOM 0 HB3 ASN A 37 -4.907 0.183 -11.980 1.00 0.82 H new ATOM 0 HD21 ASN A 37 -8.377 -0.141 -11.209 1.00 2.97 H new ATOM 0 HD22 ASN A 37 -7.111 -0.062 -12.439 1.00 2.97 H new ATOM 589 N ALA A 38 -4.875 -0.705 -7.731 1.00 0.61 N ATOM 590 CA ALA A 38 -5.015 -0.300 -6.301 1.00 0.68 C ATOM 591 C ALA A 38 -3.646 -0.297 -5.618 1.00 0.55 C ATOM 592 O ALA A 38 -3.385 0.499 -4.735 1.00 0.57 O ATOM 593 CB ALA A 38 -5.917 -1.306 -5.586 1.00 0.79 C ATOM 0 H ALA A 38 -5.300 -1.602 -7.967 1.00 0.61 H new ATOM 0 HA ALA A 38 -5.445 0.701 -6.254 1.00 0.68 H new ATOM 0 HB1 ALA A 38 -6.025 -1.018 -4.540 1.00 0.79 H new ATOM 0 HB2 ALA A 38 -6.897 -1.318 -6.062 1.00 0.79 H new ATOM 0 HB3 ALA A 38 -5.472 -2.299 -5.645 1.00 0.79 H new ATOM 599 N TYR A 39 -2.782 -1.194 -6.010 1.00 0.53 N ATOM 600 CA TYR A 39 -1.426 -1.273 -5.375 1.00 0.52 C ATOM 601 C TYR A 39 -0.496 -0.258 -6.029 1.00 0.50 C ATOM 602 O TYR A 39 0.430 0.225 -5.416 1.00 0.49 O ATOM 603 CB TYR A 39 -0.823 -2.681 -5.550 1.00 0.66 C ATOM 604 CG TYR A 39 -1.915 -3.724 -5.553 1.00 0.68 C ATOM 605 CD1 TYR A 39 -2.796 -3.813 -4.472 1.00 1.49 C ATOM 606 CD2 TYR A 39 -2.057 -4.579 -6.647 1.00 1.76 C ATOM 607 CE1 TYR A 39 -3.820 -4.762 -4.484 1.00 1.54 C ATOM 608 CE2 TYR A 39 -3.079 -5.530 -6.660 1.00 1.76 C ATOM 609 CZ TYR A 39 -3.963 -5.624 -5.579 1.00 0.77 C ATOM 610 OH TYR A 39 -4.972 -6.563 -5.592 1.00 0.84 O ATOM 0 H TYR A 39 -2.954 -1.880 -6.745 1.00 0.53 H new ATOM 0 HA TYR A 39 -1.533 -1.059 -4.312 1.00 0.52 H new ATOM 0 HB2 TYR A 39 -0.262 -2.730 -6.483 1.00 0.66 H new ATOM 0 HB3 TYR A 39 -0.119 -2.885 -4.743 1.00 0.66 H new ATOM 0 HD1 TYR A 39 -2.685 -3.148 -3.628 1.00 1.49 H new ATOM 0 HD2 TYR A 39 -1.377 -4.505 -7.483 1.00 1.76 H new ATOM 0 HE1 TYR A 39 -4.502 -4.832 -3.649 1.00 1.54 H new ATOM 0 HE2 TYR A 39 -3.188 -6.194 -7.505 1.00 1.76 H new ATOM 0 HH TYR A 39 -4.599 -7.441 -5.818 1.00 0.84 H new ATOM 620 N ARG A 40 -0.733 0.061 -7.272 1.00 0.56 N ATOM 621 CA ARG A 40 0.140 1.040 -7.975 1.00 0.61 C ATOM 622 C ARG A 40 -0.110 2.446 -7.418 1.00 0.58 C ATOM 623 O ARG A 40 0.799 3.249 -7.299 1.00 0.62 O ATOM 624 CB ARG A 40 -0.185 1.008 -9.467 1.00 0.73 C ATOM 625 CG ARG A 40 0.809 1.892 -10.226 1.00 1.00 C ATOM 626 CD ARG A 40 2.147 1.159 -10.373 1.00 0.94 C ATOM 627 NE ARG A 40 3.280 2.091 -10.038 1.00 2.05 N ATOM 628 CZ ARG A 40 3.418 3.269 -10.610 1.00 2.57 C ATOM 629 NH1 ARG A 40 2.691 3.618 -11.645 1.00 3.04 N ATOM 630 NH2 ARG A 40 4.340 4.083 -10.176 1.00 3.91 N ATOM 0 H ARG A 40 -1.497 -0.317 -7.832 1.00 0.56 H new ATOM 0 HA ARG A 40 1.187 0.780 -7.821 1.00 0.61 H new ATOM 0 HB2 ARG A 40 -0.135 -0.015 -9.839 1.00 0.73 H new ATOM 0 HB3 ARG A 40 -1.203 1.359 -9.636 1.00 0.73 H new ATOM 0 HG2 ARG A 40 0.411 2.142 -11.209 1.00 1.00 H new ATOM 0 HG3 ARG A 40 0.955 2.832 -9.693 1.00 1.00 H new ATOM 0 HD2 ARG A 40 2.171 0.291 -9.714 1.00 0.94 H new ATOM 0 HD3 ARG A 40 2.259 0.788 -11.392 1.00 0.94 H new ATOM 0 HE ARG A 40 3.966 1.799 -9.342 1.00 2.05 H new ATOM 0 HH11 ARG A 40 2.000 2.971 -12.024 1.00 3.04 H new ATOM 0 HH12 ARG A 40 2.817 4.537 -12.070 1.00 3.04 H new ATOM 0 HH21 ARG A 40 4.944 3.804 -9.402 1.00 3.91 H new ATOM 0 HH22 ARG A 40 4.458 4.998 -10.610 1.00 3.91 H new ATOM 644 N LYS A 41 -1.336 2.747 -7.078 1.00 0.59 N ATOM 645 CA LYS A 41 -1.660 4.098 -6.535 1.00 0.62 C ATOM 646 C LYS A 41 -1.344 4.158 -5.037 1.00 0.55 C ATOM 647 O LYS A 41 -0.820 5.142 -4.551 1.00 0.55 O ATOM 648 CB LYS A 41 -3.147 4.390 -6.749 1.00 0.69 C ATOM 649 CG LYS A 41 -3.364 5.903 -6.827 1.00 1.68 C ATOM 650 CD LYS A 41 -4.861 6.199 -6.938 1.00 1.99 C ATOM 651 CE LYS A 41 -5.350 5.845 -8.343 1.00 2.18 C ATOM 652 NZ LYS A 41 -6.835 5.956 -8.395 1.00 3.07 N ATOM 0 H LYS A 41 -2.130 2.111 -7.154 1.00 0.59 H new ATOM 0 HA LYS A 41 -1.057 4.841 -7.056 1.00 0.62 H new ATOM 0 HB2 LYS A 41 -3.494 3.914 -7.667 1.00 0.69 H new ATOM 0 HB3 LYS A 41 -3.732 3.970 -5.931 1.00 0.69 H new ATOM 0 HG2 LYS A 41 -2.952 6.386 -5.941 1.00 1.68 H new ATOM 0 HG3 LYS A 41 -2.837 6.313 -7.688 1.00 1.68 H new ATOM 0 HD2 LYS A 41 -5.412 5.623 -6.194 1.00 1.99 H new ATOM 0 HD3 LYS A 41 -5.050 7.252 -6.730 1.00 1.99 H new ATOM 0 HE2 LYS A 41 -4.899 6.514 -9.076 1.00 2.18 H new ATOM 0 HE3 LYS A 41 -5.041 4.833 -8.603 1.00 2.18 H new ATOM 0 HZ1 LYS A 41 -7.168 5.715 -9.350 1.00 3.07 H new ATOM 0 HZ2 LYS A 41 -7.256 5.301 -7.706 1.00 3.07 H new ATOM 0 HZ3 LYS A 41 -7.119 6.930 -8.165 1.00 3.07 H new ATOM 666 N ALA A 42 -1.664 3.120 -4.303 1.00 0.54 N ATOM 667 CA ALA A 42 -1.388 3.131 -2.835 1.00 0.53 C ATOM 668 C ALA A 42 0.122 3.177 -2.592 1.00 0.52 C ATOM 669 O ALA A 42 0.583 3.778 -1.643 1.00 0.70 O ATOM 670 CB ALA A 42 -1.976 1.879 -2.181 1.00 0.54 C ATOM 0 H ALA A 42 -2.103 2.270 -4.656 1.00 0.54 H new ATOM 0 HA ALA A 42 -1.852 4.014 -2.395 1.00 0.53 H new ATOM 0 HB1 ALA A 42 -1.769 1.896 -1.111 1.00 0.54 H new ATOM 0 HB2 ALA A 42 -3.054 1.856 -2.342 1.00 0.54 H new ATOM 0 HB3 ALA A 42 -1.524 0.991 -2.623 1.00 0.54 H new ATOM 676 N ALA A 43 0.896 2.553 -3.443 1.00 0.50 N ATOM 677 CA ALA A 43 2.380 2.571 -3.258 1.00 0.54 C ATOM 678 C ALA A 43 2.932 3.915 -3.730 1.00 0.52 C ATOM 679 O ALA A 43 3.966 4.359 -3.274 1.00 0.55 O ATOM 680 CB ALA A 43 3.019 1.442 -4.066 1.00 0.67 C ATOM 0 H ALA A 43 0.566 2.033 -4.256 1.00 0.50 H new ATOM 0 HA ALA A 43 2.614 2.429 -2.203 1.00 0.54 H new ATOM 0 HB1 ALA A 43 4.100 1.461 -3.926 1.00 0.67 H new ATOM 0 HB2 ALA A 43 2.626 0.484 -3.726 1.00 0.67 H new ATOM 0 HB3 ALA A 43 2.787 1.575 -5.123 1.00 0.67 H new ATOM 686 N SER A 44 2.253 4.566 -4.641 1.00 0.53 N ATOM 687 CA SER A 44 2.741 5.883 -5.138 1.00 0.56 C ATOM 688 C SER A 44 2.420 6.976 -4.111 1.00 0.41 C ATOM 689 O SER A 44 3.056 8.015 -4.089 1.00 0.45 O ATOM 690 CB SER A 44 2.054 6.213 -6.463 1.00 0.75 C ATOM 691 OG SER A 44 0.644 6.168 -6.287 1.00 2.01 O ATOM 0 H SER A 44 1.382 4.240 -5.060 1.00 0.53 H new ATOM 0 HA SER A 44 3.820 5.834 -5.287 1.00 0.56 H new ATOM 0 HB2 SER A 44 2.357 7.202 -6.806 1.00 0.75 H new ATOM 0 HB3 SER A 44 2.359 5.502 -7.231 1.00 0.75 H new ATOM 0 HG SER A 44 0.437 5.868 -5.377 1.00 2.01 H new ATOM 697 N VAL A 45 1.434 6.762 -3.268 1.00 0.41 N ATOM 698 CA VAL A 45 1.072 7.802 -2.259 1.00 0.37 C ATOM 699 C VAL A 45 1.846 7.590 -0.944 1.00 0.43 C ATOM 700 O VAL A 45 2.210 8.553 -0.292 1.00 0.74 O ATOM 701 CB VAL A 45 -0.445 7.782 -2.001 1.00 0.48 C ATOM 702 CG1 VAL A 45 -0.868 6.442 -1.397 1.00 0.54 C ATOM 703 CG2 VAL A 45 -0.818 8.909 -1.032 1.00 0.55 C ATOM 0 H VAL A 45 0.868 5.914 -3.238 1.00 0.41 H new ATOM 0 HA VAL A 45 1.350 8.778 -2.657 1.00 0.37 H new ATOM 0 HB VAL A 45 -0.960 7.923 -2.951 1.00 0.48 H new ATOM 0 HG11 VAL A 45 -1.944 6.446 -1.221 1.00 0.54 H new ATOM 0 HG12 VAL A 45 -0.616 5.636 -2.086 1.00 0.54 H new ATOM 0 HG13 VAL A 45 -0.346 6.288 -0.452 1.00 0.54 H new ATOM 0 HG21 VAL A 45 -1.893 8.892 -0.851 1.00 0.55 H new ATOM 0 HG22 VAL A 45 -0.289 8.768 -0.089 1.00 0.55 H new ATOM 0 HG23 VAL A 45 -0.538 9.869 -1.465 1.00 0.55 H new ATOM 713 N ILE A 46 2.101 6.361 -0.537 1.00 0.50 N ATOM 714 CA ILE A 46 2.852 6.164 0.751 1.00 0.78 C ATOM 715 C ILE A 46 4.355 6.199 0.469 1.00 0.60 C ATOM 716 O ILE A 46 5.129 6.701 1.262 1.00 0.76 O ATOM 717 CB ILE A 46 2.524 4.828 1.470 1.00 1.24 C ATOM 718 CG1 ILE A 46 1.170 4.207 0.987 1.00 0.87 C ATOM 719 CG2 ILE A 46 2.526 5.097 2.987 1.00 2.71 C ATOM 720 CD1 ILE A 46 0.253 3.757 2.144 1.00 1.21 C ATOM 0 H ILE A 46 1.830 5.508 -1.027 1.00 0.50 H new ATOM 0 HA ILE A 46 2.541 6.973 1.412 1.00 0.78 H new ATOM 0 HB ILE A 46 3.282 4.085 1.222 1.00 1.24 H new ATOM 0 HG12 ILE A 46 0.640 4.939 0.378 1.00 0.87 H new ATOM 0 HG13 ILE A 46 1.380 3.351 0.346 1.00 0.87 H new ATOM 0 HG21 ILE A 46 2.298 4.174 3.520 1.00 2.71 H new ATOM 0 HG22 ILE A 46 3.508 5.459 3.291 1.00 2.71 H new ATOM 0 HG23 ILE A 46 1.773 5.849 3.224 1.00 2.71 H new ATOM 0 HD11 ILE A 46 -0.667 3.337 1.737 1.00 1.21 H new ATOM 0 HD12 ILE A 46 0.764 3.002 2.741 1.00 1.21 H new ATOM 0 HD13 ILE A 46 0.013 4.615 2.773 1.00 1.21 H new ATOM 732 N ALA A 47 4.780 5.663 -0.651 1.00 0.47 N ATOM 733 CA ALA A 47 6.241 5.657 -0.984 1.00 0.45 C ATOM 734 C ALA A 47 6.796 7.084 -0.884 1.00 0.48 C ATOM 735 O ALA A 47 7.841 7.310 -0.305 1.00 0.58 O ATOM 736 CB ALA A 47 6.440 5.099 -2.388 1.00 0.60 C ATOM 0 H ALA A 47 4.177 5.229 -1.350 1.00 0.47 H new ATOM 0 HA ALA A 47 6.779 5.024 -0.278 1.00 0.45 H new ATOM 0 HB1 ALA A 47 7.503 5.095 -2.631 1.00 0.60 H new ATOM 0 HB2 ALA A 47 6.053 4.081 -2.433 1.00 0.60 H new ATOM 0 HB3 ALA A 47 5.907 5.722 -3.106 1.00 0.60 H new ATOM 742 N LYS A 48 6.070 8.053 -1.385 1.00 0.49 N ATOM 743 CA LYS A 48 6.525 9.470 -1.245 1.00 0.62 C ATOM 744 C LYS A 48 6.384 9.819 0.240 1.00 0.68 C ATOM 745 O LYS A 48 7.219 10.472 0.834 1.00 0.85 O ATOM 746 CB LYS A 48 5.633 10.389 -2.085 1.00 0.68 C ATOM 747 CG LYS A 48 6.347 10.741 -3.391 1.00 1.55 C ATOM 748 CD LYS A 48 5.310 11.002 -4.486 1.00 1.97 C ATOM 749 CE LYS A 48 5.943 10.757 -5.856 1.00 3.13 C ATOM 750 NZ LYS A 48 7.011 11.767 -6.098 1.00 3.53 N ATOM 0 H LYS A 48 5.188 7.925 -1.881 1.00 0.49 H new ATOM 0 HA LYS A 48 7.552 9.596 -1.588 1.00 0.62 H new ATOM 0 HB2 LYS A 48 4.684 9.896 -2.298 1.00 0.68 H new ATOM 0 HB3 LYS A 48 5.402 11.297 -1.528 1.00 0.68 H new ATOM 0 HG2 LYS A 48 6.972 11.623 -3.250 1.00 1.55 H new ATOM 0 HG3 LYS A 48 7.007 9.926 -3.688 1.00 1.55 H new ATOM 0 HD2 LYS A 48 4.449 10.348 -4.349 1.00 1.97 H new ATOM 0 HD3 LYS A 48 4.946 12.027 -4.420 1.00 1.97 H new ATOM 0 HE2 LYS A 48 6.362 9.752 -5.900 1.00 3.13 H new ATOM 0 HE3 LYS A 48 5.184 10.821 -6.636 1.00 3.13 H new ATOM 0 HZ1 LYS A 48 7.312 11.722 -7.092 1.00 3.53 H new ATOM 0 HZ2 LYS A 48 6.643 12.717 -5.890 1.00 3.53 H new ATOM 0 HZ3 LYS A 48 7.824 11.568 -5.480 1.00 3.53 H new ATOM 764 N TYR A 49 5.331 9.325 0.839 1.00 0.67 N ATOM 765 CA TYR A 49 5.077 9.527 2.292 1.00 0.79 C ATOM 766 C TYR A 49 6.225 8.856 3.070 1.00 0.75 C ATOM 767 O TYR A 49 6.854 7.963 2.538 1.00 0.79 O ATOM 768 CB TYR A 49 3.751 8.812 2.607 1.00 1.05 C ATOM 769 CG TYR A 49 3.044 9.430 3.780 1.00 1.03 C ATOM 770 CD1 TYR A 49 2.919 10.818 3.879 1.00 2.36 C ATOM 771 CD2 TYR A 49 2.506 8.604 4.774 1.00 1.25 C ATOM 772 CE1 TYR A 49 2.261 11.380 4.974 1.00 2.77 C ATOM 773 CE2 TYR A 49 1.843 9.168 5.868 1.00 1.35 C ATOM 774 CZ TYR A 49 1.721 10.558 5.970 1.00 1.85 C ATOM 775 OH TYR A 49 1.068 11.117 7.049 1.00 2.39 O ATOM 0 H TYR A 49 4.617 8.774 0.363 1.00 0.67 H new ATOM 0 HA TYR A 49 5.022 10.581 2.563 1.00 0.79 H new ATOM 0 HB2 TYR A 49 3.102 8.849 1.732 1.00 1.05 H new ATOM 0 HB3 TYR A 49 3.947 7.760 2.815 1.00 1.05 H new ATOM 0 HD1 TYR A 49 3.331 11.455 3.110 1.00 2.36 H new ATOM 0 HD2 TYR A 49 2.603 7.531 4.696 1.00 1.25 H new ATOM 0 HE1 TYR A 49 2.168 12.453 5.053 1.00 2.77 H new ATOM 0 HE2 TYR A 49 1.425 8.531 6.634 1.00 1.35 H new ATOM 0 HH TYR A 49 0.754 10.406 7.645 1.00 2.39 H new ATOM 785 N PRO A 50 6.481 9.265 4.306 1.00 0.85 N ATOM 786 CA PRO A 50 7.555 8.640 5.099 1.00 0.94 C ATOM 787 C PRO A 50 7.258 7.149 5.355 1.00 0.93 C ATOM 788 O PRO A 50 8.096 6.440 5.874 1.00 1.13 O ATOM 789 CB PRO A 50 7.594 9.430 6.416 1.00 1.14 C ATOM 790 CG PRO A 50 6.585 10.595 6.286 1.00 1.21 C ATOM 791 CD PRO A 50 5.769 10.357 5.009 1.00 1.03 C ATOM 0 HA PRO A 50 8.513 8.671 4.580 1.00 0.94 H new ATOM 0 HB2 PRO A 50 7.332 8.788 7.257 1.00 1.14 H new ATOM 0 HB3 PRO A 50 8.598 9.811 6.606 1.00 1.14 H new ATOM 0 HG2 PRO A 50 5.931 10.635 7.157 1.00 1.21 H new ATOM 0 HG3 PRO A 50 7.107 11.551 6.235 1.00 1.21 H new ATOM 0 HD2 PRO A 50 4.742 10.075 5.242 1.00 1.03 H new ATOM 0 HD3 PRO A 50 5.721 11.257 4.396 1.00 1.03 H new ATOM 799 N HIS A 51 6.080 6.657 4.990 1.00 0.87 N ATOM 800 CA HIS A 51 5.752 5.213 5.202 1.00 1.03 C ATOM 801 C HIS A 51 5.490 4.950 6.682 1.00 1.02 C ATOM 802 O HIS A 51 5.412 5.857 7.486 1.00 1.66 O ATOM 803 CB HIS A 51 6.893 4.285 4.736 1.00 1.43 C ATOM 804 CG HIS A 51 7.584 4.830 3.514 1.00 1.52 C ATOM 805 ND1 HIS A 51 8.861 5.366 3.570 1.00 1.95 N ATOM 806 CD2 HIS A 51 7.202 4.909 2.200 1.00 2.81 C ATOM 807 CE1 HIS A 51 9.200 5.740 2.325 1.00 2.70 C ATOM 808 NE2 HIS A 51 8.225 5.483 1.452 1.00 3.33 N ATOM 0 H HIS A 51 5.338 7.204 4.554 1.00 0.87 H new ATOM 0 HA HIS A 51 4.864 4.997 4.608 1.00 1.03 H new ATOM 0 HB2 HIS A 51 7.617 4.165 5.542 1.00 1.43 H new ATOM 0 HB3 HIS A 51 6.492 3.295 4.517 1.00 1.43 H new ATOM 0 HD2 HIS A 51 6.253 4.577 1.806 1.00 2.81 H new ATOM 0 HE1 HIS A 51 10.145 6.193 2.063 1.00 2.70 H new ATOM 0 HE2 HIS A 51 8.229 5.668 0.449 1.00 3.33 H new ATOM 816 N LYS A 52 5.354 3.698 7.038 1.00 0.95 N ATOM 817 CA LYS A 52 5.096 3.321 8.457 1.00 1.09 C ATOM 818 C LYS A 52 3.896 4.104 9.007 1.00 1.21 C ATOM 819 O LYS A 52 4.051 5.061 9.743 1.00 1.74 O ATOM 820 CB LYS A 52 6.340 3.624 9.298 1.00 1.36 C ATOM 821 CG LYS A 52 6.403 2.669 10.493 1.00 2.03 C ATOM 822 CD LYS A 52 5.299 3.023 11.490 1.00 3.39 C ATOM 823 CE LYS A 52 5.646 2.445 12.864 1.00 4.27 C ATOM 824 NZ LYS A 52 5.114 3.342 13.928 1.00 5.43 N ATOM 0 H LYS A 52 5.412 2.910 6.393 1.00 0.95 H new ATOM 0 HA LYS A 52 4.871 2.256 8.506 1.00 1.09 H new ATOM 0 HB2 LYS A 52 7.237 3.518 8.688 1.00 1.36 H new ATOM 0 HB3 LYS A 52 6.312 4.656 9.647 1.00 1.36 H new ATOM 0 HG2 LYS A 52 6.286 1.639 10.155 1.00 2.03 H new ATOM 0 HG3 LYS A 52 7.378 2.737 10.975 1.00 2.03 H new ATOM 0 HD2 LYS A 52 5.188 4.105 11.557 1.00 3.39 H new ATOM 0 HD3 LYS A 52 4.344 2.625 11.147 1.00 3.39 H new ATOM 0 HE2 LYS A 52 5.221 1.447 12.969 1.00 4.27 H new ATOM 0 HE3 LYS A 52 6.726 2.343 12.966 1.00 4.27 H new ATOM 0 HZ1 LYS A 52 5.349 2.950 14.862 1.00 5.43 H new ATOM 0 HZ2 LYS A 52 5.540 4.286 13.831 1.00 5.43 H new ATOM 0 HZ3 LYS A 52 4.081 3.417 13.834 1.00 5.43 H new ATOM 838 N ILE A 53 2.706 3.700 8.647 1.00 1.74 N ATOM 839 CA ILE A 53 1.488 4.411 9.137 1.00 2.04 C ATOM 840 C ILE A 53 1.250 4.067 10.608 1.00 1.93 C ATOM 841 O ILE A 53 1.489 2.956 11.041 1.00 1.78 O ATOM 842 CB ILE A 53 0.273 3.984 8.309 1.00 2.19 C ATOM 843 CG1 ILE A 53 0.162 2.457 8.304 1.00 2.41 C ATOM 844 CG2 ILE A 53 0.429 4.487 6.873 1.00 2.68 C ATOM 845 CD1 ILE A 53 -1.236 2.047 7.836 1.00 3.11 C ATOM 0 H ILE A 53 2.525 2.906 8.033 1.00 1.74 H new ATOM 0 HA ILE A 53 1.634 5.486 9.035 1.00 2.04 H new ATOM 0 HB ILE A 53 -0.629 4.411 8.749 1.00 2.19 H new ATOM 0 HG12 ILE A 53 0.917 2.029 7.645 1.00 2.41 H new ATOM 0 HG13 ILE A 53 0.352 2.065 9.303 1.00 2.41 H new ATOM 0 HG21 ILE A 53 -0.437 4.182 6.285 1.00 2.68 H new ATOM 0 HG22 ILE A 53 0.502 5.575 6.874 1.00 2.68 H new ATOM 0 HG23 ILE A 53 1.333 4.063 6.435 1.00 2.68 H new ATOM 0 HD11 ILE A 53 -1.314 0.960 7.833 1.00 3.11 H new ATOM 0 HD12 ILE A 53 -1.983 2.463 8.513 1.00 3.11 H new ATOM 0 HD13 ILE A 53 -1.408 2.426 6.829 1.00 3.11 H new ATOM 857 N LYS A 54 0.782 5.016 11.379 1.00 2.33 N ATOM 858 CA LYS A 54 0.525 4.758 12.826 1.00 2.49 C ATOM 859 C LYS A 54 -0.862 4.134 12.995 1.00 2.28 C ATOM 860 O LYS A 54 -1.033 3.169 13.716 1.00 2.40 O ATOM 861 CB LYS A 54 0.590 6.077 13.598 1.00 3.24 C ATOM 862 CG LYS A 54 0.939 5.796 15.061 1.00 3.25 C ATOM 863 CD LYS A 54 1.106 7.118 15.811 1.00 4.06 C ATOM 864 CE LYS A 54 1.512 6.836 17.259 1.00 4.26 C ATOM 865 NZ LYS A 54 2.735 5.986 17.275 1.00 4.02 N ATOM 0 H LYS A 54 0.566 5.962 11.066 1.00 2.33 H new ATOM 0 HA LYS A 54 1.280 4.073 13.213 1.00 2.49 H new ATOM 0 HB2 LYS A 54 1.338 6.734 13.154 1.00 3.24 H new ATOM 0 HB3 LYS A 54 -0.367 6.595 13.534 1.00 3.24 H new ATOM 0 HG2 LYS A 54 0.153 5.200 15.525 1.00 3.25 H new ATOM 0 HG3 LYS A 54 1.858 5.214 15.121 1.00 3.25 H new ATOM 0 HD2 LYS A 54 1.863 7.732 15.323 1.00 4.06 H new ATOM 0 HD3 LYS A 54 0.174 7.682 15.787 1.00 4.06 H new ATOM 0 HE2 LYS A 54 1.700 7.772 17.784 1.00 4.26 H new ATOM 0 HE3 LYS A 54 0.700 6.333 17.784 1.00 4.26 H new ATOM 0 HZ1 LYS A 54 3.318 6.231 18.101 1.00 4.02 H new ATOM 0 HZ2 LYS A 54 2.461 4.984 17.330 1.00 4.02 H new ATOM 0 HZ3 LYS A 54 3.282 6.148 16.405 1.00 4.02 H new ATOM 879 N SER A 55 -1.851 4.681 12.335 1.00 2.35 N ATOM 880 CA SER A 55 -3.232 4.128 12.449 1.00 2.31 C ATOM 881 C SER A 55 -3.837 3.975 11.052 1.00 2.34 C ATOM 882 O SER A 55 -3.309 4.484 10.080 1.00 3.21 O ATOM 883 CB SER A 55 -4.096 5.082 13.277 1.00 2.57 C ATOM 884 OG SER A 55 -3.758 4.948 14.650 1.00 2.91 O ATOM 0 H SER A 55 -1.760 5.490 11.720 1.00 2.35 H new ATOM 0 HA SER A 55 -3.195 3.154 12.937 1.00 2.31 H new ATOM 0 HB2 SER A 55 -3.939 6.110 12.950 1.00 2.57 H new ATOM 0 HB3 SER A 55 -5.152 4.858 13.127 1.00 2.57 H new ATOM 0 HG SER A 55 -4.308 5.559 15.183 1.00 2.91 H new ATOM 890 N GLY A 56 -4.938 3.277 10.946 1.00 2.13 N ATOM 891 CA GLY A 56 -5.586 3.085 9.615 1.00 2.23 C ATOM 892 C GLY A 56 -6.069 4.434 9.079 1.00 1.92 C ATOM 893 O GLY A 56 -6.137 4.646 7.882 1.00 1.95 O ATOM 0 H GLY A 56 -5.418 2.830 11.727 1.00 2.13 H new ATOM 0 HA2 GLY A 56 -4.879 2.637 8.917 1.00 2.23 H new ATOM 0 HA3 GLY A 56 -6.426 2.396 9.704 1.00 2.23 H new ATOM 897 N ALA A 57 -6.406 5.347 9.956 1.00 1.83 N ATOM 898 CA ALA A 57 -6.889 6.686 9.505 1.00 1.71 C ATOM 899 C ALA A 57 -5.788 7.391 8.708 1.00 1.32 C ATOM 900 O ALA A 57 -6.061 8.187 7.830 1.00 1.29 O ATOM 901 CB ALA A 57 -7.254 7.534 10.726 1.00 1.74 C ATOM 0 H ALA A 57 -6.367 5.221 10.967 1.00 1.83 H new ATOM 0 HA ALA A 57 -7.767 6.557 8.872 1.00 1.71 H new ATOM 0 HB1 ALA A 57 -7.607 8.512 10.398 1.00 1.74 H new ATOM 0 HB2 ALA A 57 -8.041 7.036 11.293 1.00 1.74 H new ATOM 0 HB3 ALA A 57 -6.375 7.659 11.358 1.00 1.74 H new ATOM 907 N GLU A 58 -4.546 7.102 9.008 1.00 1.17 N ATOM 908 CA GLU A 58 -3.420 7.750 8.272 1.00 0.91 C ATOM 909 C GLU A 58 -3.485 7.360 6.793 1.00 0.77 C ATOM 910 O GLU A 58 -3.410 8.200 5.917 1.00 0.75 O ATOM 911 CB GLU A 58 -2.089 7.287 8.865 1.00 1.08 C ATOM 912 CG GLU A 58 -1.920 7.879 10.266 1.00 1.87 C ATOM 913 CD GLU A 58 -1.754 9.395 10.163 1.00 2.65 C ATOM 914 OE1 GLU A 58 -0.859 9.827 9.455 1.00 3.05 O ATOM 915 OE2 GLU A 58 -2.524 10.100 10.794 1.00 3.98 O ATOM 0 H GLU A 58 -4.264 6.443 9.734 1.00 1.17 H new ATOM 0 HA GLU A 58 -3.501 8.833 8.365 1.00 0.91 H new ATOM 0 HB2 GLU A 58 -2.059 6.198 8.913 1.00 1.08 H new ATOM 0 HB3 GLU A 58 -1.265 7.601 8.224 1.00 1.08 H new ATOM 0 HG2 GLU A 58 -2.787 7.639 10.881 1.00 1.87 H new ATOM 0 HG3 GLU A 58 -1.051 7.440 10.755 1.00 1.87 H new ATOM 922 N ALA A 59 -3.625 6.088 6.513 1.00 0.80 N ATOM 923 CA ALA A 59 -3.696 5.632 5.094 1.00 0.78 C ATOM 924 C ALA A 59 -4.950 6.208 4.435 1.00 0.84 C ATOM 925 O ALA A 59 -4.969 6.478 3.250 1.00 0.97 O ATOM 926 CB ALA A 59 -3.755 4.104 5.052 1.00 0.94 C ATOM 0 H ALA A 59 -3.693 5.345 7.209 1.00 0.80 H new ATOM 0 HA ALA A 59 -2.812 5.977 4.557 1.00 0.78 H new ATOM 0 HB1 ALA A 59 -3.807 3.770 4.016 1.00 0.94 H new ATOM 0 HB2 ALA A 59 -2.862 3.692 5.521 1.00 0.94 H new ATOM 0 HB3 ALA A 59 -4.639 3.759 5.589 1.00 0.94 H new ATOM 932 N LYS A 60 -5.998 6.402 5.198 1.00 0.89 N ATOM 933 CA LYS A 60 -7.260 6.964 4.625 1.00 1.06 C ATOM 934 C LYS A 60 -6.976 8.335 4.005 1.00 1.06 C ATOM 935 O LYS A 60 -7.494 8.670 2.956 1.00 1.20 O ATOM 936 CB LYS A 60 -8.303 7.113 5.735 1.00 1.36 C ATOM 937 CG LYS A 60 -9.664 7.440 5.117 1.00 2.49 C ATOM 938 CD LYS A 60 -10.571 8.065 6.179 1.00 3.26 C ATOM 939 CE LYS A 60 -11.798 8.682 5.505 1.00 4.65 C ATOM 940 NZ LYS A 60 -12.707 7.597 5.038 1.00 4.68 N ATOM 0 H LYS A 60 -6.033 6.195 6.196 1.00 0.89 H new ATOM 0 HA LYS A 60 -7.640 6.290 3.857 1.00 1.06 H new ATOM 0 HB2 LYS A 60 -8.367 6.192 6.314 1.00 1.36 H new ATOM 0 HB3 LYS A 60 -8.006 7.903 6.424 1.00 1.36 H new ATOM 0 HG2 LYS A 60 -9.539 8.127 4.280 1.00 2.49 H new ATOM 0 HG3 LYS A 60 -10.122 6.534 4.720 1.00 2.49 H new ATOM 0 HD2 LYS A 60 -10.881 7.308 6.899 1.00 3.26 H new ATOM 0 HD3 LYS A 60 -10.026 8.828 6.734 1.00 3.26 H new ATOM 0 HE2 LYS A 60 -12.321 9.333 6.205 1.00 4.65 H new ATOM 0 HE3 LYS A 60 -11.490 9.301 4.662 1.00 4.65 H new ATOM 0 HZ1 LYS A 60 -13.541 8.016 4.580 1.00 4.68 H new ATOM 0 HZ2 LYS A 60 -12.205 6.993 4.357 1.00 4.68 H new ATOM 0 HZ3 LYS A 60 -13.010 7.024 5.851 1.00 4.68 H new ATOM 954 N LYS A 61 -6.147 9.121 4.644 1.00 1.03 N ATOM 955 CA LYS A 61 -5.812 10.467 4.096 1.00 1.19 C ATOM 956 C LYS A 61 -4.954 10.296 2.840 1.00 1.10 C ATOM 957 O LYS A 61 -5.140 10.983 1.856 1.00 1.35 O ATOM 958 CB LYS A 61 -5.034 11.269 5.149 1.00 1.27 C ATOM 959 CG LYS A 61 -4.679 12.654 4.594 1.00 2.34 C ATOM 960 CD LYS A 61 -4.140 13.540 5.722 1.00 2.42 C ATOM 961 CE LYS A 61 -2.611 13.528 5.699 1.00 2.26 C ATOM 962 NZ LYS A 61 -2.090 14.500 6.702 1.00 2.75 N ATOM 0 H LYS A 61 -5.687 8.886 5.524 1.00 1.03 H new ATOM 0 HA LYS A 61 -6.728 11.002 3.843 1.00 1.19 H new ATOM 0 HB2 LYS A 61 -5.632 11.373 6.054 1.00 1.27 H new ATOM 0 HB3 LYS A 61 -4.125 10.735 5.427 1.00 1.27 H new ATOM 0 HG2 LYS A 61 -3.933 12.560 3.805 1.00 2.34 H new ATOM 0 HG3 LYS A 61 -5.560 13.114 4.147 1.00 2.34 H new ATOM 0 HD2 LYS A 61 -4.507 14.559 5.604 1.00 2.42 H new ATOM 0 HD3 LYS A 61 -4.502 13.180 6.685 1.00 2.42 H new ATOM 0 HE2 LYS A 61 -2.241 12.527 5.921 1.00 2.26 H new ATOM 0 HE3 LYS A 61 -2.250 13.788 4.704 1.00 2.26 H new ATOM 0 HZ1 LYS A 61 -1.050 14.492 6.686 1.00 2.75 H new ATOM 0 HZ2 LYS A 61 -2.432 15.454 6.471 1.00 2.75 H new ATOM 0 HZ3 LYS A 61 -2.424 14.233 7.650 1.00 2.75 H new ATOM 976 N LEU A 62 -4.018 9.383 2.874 1.00 0.91 N ATOM 977 CA LEU A 62 -3.137 9.156 1.690 1.00 1.06 C ATOM 978 C LEU A 62 -4.001 8.711 0.489 1.00 1.37 C ATOM 979 O LEU A 62 -4.547 7.625 0.520 1.00 1.65 O ATOM 980 CB LEU A 62 -2.123 8.053 2.015 1.00 1.16 C ATOM 981 CG LEU A 62 -1.310 8.436 3.257 1.00 1.15 C ATOM 982 CD1 LEU A 62 -0.724 7.172 3.904 1.00 1.48 C ATOM 983 CD2 LEU A 62 -0.173 9.378 2.853 1.00 1.24 C ATOM 0 H LEU A 62 -3.825 8.782 3.675 1.00 0.91 H new ATOM 0 HA LEU A 62 -2.611 10.079 1.445 1.00 1.06 H new ATOM 0 HB2 LEU A 62 -2.642 7.110 2.187 1.00 1.16 H new ATOM 0 HB3 LEU A 62 -1.456 7.900 1.167 1.00 1.16 H new ATOM 0 HG LEU A 62 -1.961 8.937 3.973 1.00 1.15 H new ATOM 0 HD11 LEU A 62 -0.147 7.449 4.786 1.00 1.48 H new ATOM 0 HD12 LEU A 62 -1.534 6.503 4.195 1.00 1.48 H new ATOM 0 HD13 LEU A 62 -0.075 6.665 3.190 1.00 1.48 H new ATOM 0 HD21 LEU A 62 0.405 9.650 3.736 1.00 1.24 H new ATOM 0 HD22 LEU A 62 0.476 8.878 2.135 1.00 1.24 H new ATOM 0 HD23 LEU A 62 -0.589 10.278 2.400 1.00 1.24 H new ATOM 995 N PRO A 63 -4.113 9.538 -0.546 1.00 1.50 N ATOM 996 CA PRO A 63 -4.921 9.173 -1.726 1.00 1.91 C ATOM 997 C PRO A 63 -4.362 7.900 -2.372 1.00 2.23 C ATOM 998 O PRO A 63 -3.171 7.778 -2.587 1.00 3.28 O ATOM 999 CB PRO A 63 -4.797 10.369 -2.683 1.00 2.11 C ATOM 1000 CG PRO A 63 -3.891 11.425 -2.005 1.00 1.92 C ATOM 1001 CD PRO A 63 -3.469 10.871 -0.636 1.00 1.50 C ATOM 0 HA PRO A 63 -5.961 8.969 -1.470 1.00 1.91 H new ATOM 0 HB2 PRO A 63 -4.370 10.054 -3.635 1.00 2.11 H new ATOM 0 HB3 PRO A 63 -5.779 10.790 -2.898 1.00 2.11 H new ATOM 0 HG2 PRO A 63 -3.015 11.629 -2.621 1.00 1.92 H new ATOM 0 HG3 PRO A 63 -4.425 12.368 -1.888 1.00 1.92 H new ATOM 0 HD2 PRO A 63 -2.385 10.791 -0.560 1.00 1.50 H new ATOM 0 HD3 PRO A 63 -3.798 11.524 0.172 1.00 1.50 H new ATOM 1009 N GLY A 64 -5.214 6.956 -2.677 1.00 2.01 N ATOM 1010 CA GLY A 64 -4.738 5.687 -3.306 1.00 2.38 C ATOM 1011 C GLY A 64 -4.923 4.528 -2.322 1.00 2.07 C ATOM 1012 O GLY A 64 -5.096 3.391 -2.720 1.00 2.43 O ATOM 0 H GLY A 64 -6.220 7.009 -2.518 1.00 2.01 H new ATOM 0 HA2 GLY A 64 -5.295 5.492 -4.223 1.00 2.38 H new ATOM 0 HA3 GLY A 64 -3.688 5.778 -3.584 1.00 2.38 H new ATOM 1016 N VAL A 65 -4.888 4.809 -1.043 1.00 1.67 N ATOM 1017 CA VAL A 65 -5.063 3.723 -0.026 1.00 1.74 C ATOM 1018 C VAL A 65 -6.243 4.083 0.884 1.00 1.78 C ATOM 1019 O VAL A 65 -6.191 5.043 1.628 1.00 2.37 O ATOM 1020 CB VAL A 65 -3.787 3.525 0.842 1.00 1.86 C ATOM 1021 CG1 VAL A 65 -3.277 2.089 0.677 1.00 1.91 C ATOM 1022 CG2 VAL A 65 -2.660 4.496 0.440 1.00 2.02 C ATOM 0 H VAL A 65 -4.746 5.743 -0.658 1.00 1.67 H new ATOM 0 HA VAL A 65 -5.251 2.789 -0.556 1.00 1.74 H new ATOM 0 HB VAL A 65 -4.060 3.726 1.878 1.00 1.86 H new ATOM 0 HG11 VAL A 65 -2.383 1.948 1.284 1.00 1.91 H new ATOM 0 HG12 VAL A 65 -4.048 1.390 0.999 1.00 1.91 H new ATOM 0 HG13 VAL A 65 -3.036 1.906 -0.370 1.00 1.91 H new ATOM 0 HG21 VAL A 65 -1.788 4.323 1.071 1.00 2.02 H new ATOM 0 HG22 VAL A 65 -2.391 4.330 -0.603 1.00 2.02 H new ATOM 0 HG23 VAL A 65 -3.002 5.523 0.567 1.00 2.02 H new ATOM 1032 N GLY A 66 -7.299 3.315 0.829 1.00 1.62 N ATOM 1033 CA GLY A 66 -8.486 3.596 1.690 1.00 1.96 C ATOM 1034 C GLY A 66 -8.949 2.295 2.346 1.00 1.96 C ATOM 1035 O GLY A 66 -8.890 2.143 3.552 1.00 3.18 O ATOM 0 H GLY A 66 -7.391 2.501 0.222 1.00 1.62 H new ATOM 0 HA2 GLY A 66 -8.231 4.332 2.453 1.00 1.96 H new ATOM 0 HA3 GLY A 66 -9.291 4.023 1.092 1.00 1.96 H new ATOM 1039 N THR A 67 -9.401 1.356 1.557 1.00 1.44 N ATOM 1040 CA THR A 67 -9.864 0.054 2.117 1.00 1.95 C ATOM 1041 C THR A 67 -9.140 -1.083 1.395 1.00 1.64 C ATOM 1042 O THR A 67 -8.262 -0.848 0.590 1.00 2.71 O ATOM 1043 CB THR A 67 -11.374 -0.087 1.908 1.00 2.73 C ATOM 1044 OG1 THR A 67 -11.688 0.167 0.547 1.00 2.91 O ATOM 1045 CG2 THR A 67 -12.108 0.916 2.800 1.00 3.52 C ATOM 0 H THR A 67 -9.469 1.437 0.542 1.00 1.44 H new ATOM 0 HA THR A 67 -9.645 0.013 3.184 1.00 1.95 H new ATOM 0 HB THR A 67 -11.685 -1.098 2.169 1.00 2.73 H new ATOM 0 HG1 THR A 67 -12.654 0.075 0.412 1.00 2.91 H new ATOM 0 HG21 THR A 67 -13.183 0.816 2.652 1.00 3.52 H new ATOM 0 HG22 THR A 67 -11.866 0.719 3.844 1.00 3.52 H new ATOM 0 HG23 THR A 67 -11.798 1.928 2.540 1.00 3.52 H new ATOM 1053 N LYS A 68 -9.501 -2.309 1.679 1.00 1.74 N ATOM 1054 CA LYS A 68 -8.840 -3.475 1.015 1.00 1.41 C ATOM 1055 C LYS A 68 -7.330 -3.463 1.317 1.00 1.27 C ATOM 1056 O LYS A 68 -6.890 -4.052 2.287 1.00 1.31 O ATOM 1057 CB LYS A 68 -9.090 -3.416 -0.498 1.00 1.37 C ATOM 1058 CG LYS A 68 -10.564 -3.713 -0.784 1.00 1.72 C ATOM 1059 CD LYS A 68 -10.786 -5.227 -0.797 1.00 2.19 C ATOM 1060 CE LYS A 68 -12.231 -5.535 -0.395 1.00 3.03 C ATOM 1061 NZ LYS A 68 -13.126 -5.334 -1.571 1.00 3.87 N ATOM 0 H LYS A 68 -10.231 -2.554 2.348 1.00 1.74 H new ATOM 0 HA LYS A 68 -9.262 -4.402 1.403 1.00 1.41 H new ATOM 0 HB2 LYS A 68 -8.825 -2.431 -0.883 1.00 1.37 H new ATOM 0 HB3 LYS A 68 -8.456 -4.140 -1.011 1.00 1.37 H new ATOM 0 HG2 LYS A 68 -11.194 -3.249 -0.025 1.00 1.72 H new ATOM 0 HG3 LYS A 68 -10.853 -3.284 -1.743 1.00 1.72 H new ATOM 0 HD2 LYS A 68 -10.581 -5.627 -1.790 1.00 2.19 H new ATOM 0 HD3 LYS A 68 -10.094 -5.713 -0.108 1.00 2.19 H new ATOM 0 HE2 LYS A 68 -12.309 -6.561 -0.036 1.00 3.03 H new ATOM 0 HE3 LYS A 68 -12.538 -4.886 0.425 1.00 3.03 H new ATOM 0 HZ1 LYS A 68 -14.108 -5.543 -1.300 1.00 3.87 H new ATOM 0 HZ2 LYS A 68 -13.058 -4.348 -1.894 1.00 3.87 H new ATOM 0 HZ3 LYS A 68 -12.837 -5.971 -2.340 1.00 3.87 H new ATOM 1075 N ILE A 69 -6.532 -2.802 0.505 1.00 1.29 N ATOM 1076 CA ILE A 69 -5.061 -2.764 0.765 1.00 1.21 C ATOM 1077 C ILE A 69 -4.786 -2.079 2.109 1.00 0.99 C ATOM 1078 O ILE A 69 -3.730 -2.247 2.683 1.00 0.90 O ATOM 1079 CB ILE A 69 -4.358 -1.984 -0.352 1.00 1.28 C ATOM 1080 CG1 ILE A 69 -4.683 -2.614 -1.706 1.00 1.56 C ATOM 1081 CG2 ILE A 69 -2.841 -2.022 -0.136 1.00 1.37 C ATOM 1082 CD1 ILE A 69 -4.491 -1.568 -2.803 1.00 1.84 C ATOM 0 H ILE A 69 -6.839 -2.290 -0.322 1.00 1.29 H new ATOM 0 HA ILE A 69 -4.681 -3.785 0.794 1.00 1.21 H new ATOM 0 HB ILE A 69 -4.706 -0.951 -0.334 1.00 1.28 H new ATOM 0 HG12 ILE A 69 -4.035 -3.472 -1.887 1.00 1.56 H new ATOM 0 HG13 ILE A 69 -5.709 -2.982 -1.713 1.00 1.56 H new ATOM 0 HG21 ILE A 69 -2.346 -1.466 -0.932 1.00 1.37 H new ATOM 0 HG22 ILE A 69 -2.599 -1.570 0.826 1.00 1.37 H new ATOM 0 HG23 ILE A 69 -2.498 -3.056 -0.148 1.00 1.37 H new ATOM 0 HD11 ILE A 69 -4.721 -2.011 -3.772 1.00 1.84 H new ATOM 0 HD12 ILE A 69 -5.157 -0.724 -2.622 1.00 1.84 H new ATOM 0 HD13 ILE A 69 -3.458 -1.222 -2.799 1.00 1.84 H new ATOM 1094 N ALA A 70 -5.718 -1.301 2.612 1.00 0.98 N ATOM 1095 CA ALA A 70 -5.495 -0.603 3.916 1.00 0.86 C ATOM 1096 C ALA A 70 -5.237 -1.632 5.021 1.00 0.83 C ATOM 1097 O ALA A 70 -4.471 -1.392 5.936 1.00 0.76 O ATOM 1098 CB ALA A 70 -6.735 0.222 4.270 1.00 1.00 C ATOM 0 H ALA A 70 -6.622 -1.121 2.175 1.00 0.98 H new ATOM 0 HA ALA A 70 -4.629 0.053 3.828 1.00 0.86 H new ATOM 0 HB1 ALA A 70 -6.574 0.731 5.220 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -6.916 0.960 3.489 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -7.599 -0.437 4.354 1.00 1.00 H new ATOM 1104 N GLU A 71 -5.872 -2.773 4.941 1.00 0.99 N ATOM 1105 CA GLU A 71 -5.670 -3.823 5.982 1.00 1.08 C ATOM 1106 C GLU A 71 -4.294 -4.466 5.798 1.00 1.01 C ATOM 1107 O GLU A 71 -3.634 -4.819 6.757 1.00 0.99 O ATOM 1108 CB GLU A 71 -6.756 -4.893 5.846 1.00 1.34 C ATOM 1109 CG GLU A 71 -8.092 -4.325 6.328 1.00 1.60 C ATOM 1110 CD GLU A 71 -8.167 -4.419 7.852 1.00 2.75 C ATOM 1111 OE1 GLU A 71 -7.673 -3.516 8.507 1.00 4.15 O ATOM 1112 OE2 GLU A 71 -8.718 -5.393 8.339 1.00 3.24 O ATOM 0 H GLU A 71 -6.524 -3.023 4.197 1.00 0.99 H new ATOM 0 HA GLU A 71 -5.729 -3.369 6.971 1.00 1.08 H new ATOM 0 HB2 GLU A 71 -6.838 -5.214 4.807 1.00 1.34 H new ATOM 0 HB3 GLU A 71 -6.490 -5.773 6.431 1.00 1.34 H new ATOM 0 HG2 GLU A 71 -8.193 -3.287 6.012 1.00 1.60 H new ATOM 0 HG3 GLU A 71 -8.917 -4.877 5.878 1.00 1.60 H new ATOM 1119 N LYS A 72 -3.859 -4.620 4.573 1.00 1.02 N ATOM 1120 CA LYS A 72 -2.525 -5.239 4.317 1.00 1.02 C ATOM 1121 C LYS A 72 -1.431 -4.354 4.921 1.00 0.94 C ATOM 1122 O LYS A 72 -0.474 -4.840 5.497 1.00 0.99 O ATOM 1123 CB LYS A 72 -2.307 -5.370 2.805 1.00 1.08 C ATOM 1124 CG LYS A 72 -2.574 -6.813 2.369 1.00 1.48 C ATOM 1125 CD LYS A 72 -1.991 -7.049 0.973 1.00 1.59 C ATOM 1126 CE LYS A 72 -0.466 -7.167 1.062 1.00 2.92 C ATOM 1127 NZ LYS A 72 -0.096 -8.546 1.488 1.00 3.71 N ATOM 0 H LYS A 72 -4.373 -4.342 3.737 1.00 1.02 H new ATOM 0 HA LYS A 72 -2.485 -6.227 4.775 1.00 1.02 H new ATOM 0 HB2 LYS A 72 -2.971 -4.690 2.272 1.00 1.08 H new ATOM 0 HB3 LYS A 72 -1.287 -5.085 2.549 1.00 1.08 H new ATOM 0 HG2 LYS A 72 -2.128 -7.506 3.082 1.00 1.48 H new ATOM 0 HG3 LYS A 72 -3.646 -7.008 2.363 1.00 1.48 H new ATOM 0 HD2 LYS A 72 -2.411 -7.958 0.542 1.00 1.59 H new ATOM 0 HD3 LYS A 72 -2.264 -6.227 0.311 1.00 1.59 H new ATOM 0 HE2 LYS A 72 -0.017 -6.941 0.095 1.00 2.92 H new ATOM 0 HE3 LYS A 72 -0.076 -6.439 1.773 1.00 2.92 H new ATOM 0 HZ1 LYS A 72 0.796 -8.517 2.023 1.00 3.71 H new ATOM 0 HZ2 LYS A 72 -0.848 -8.937 2.090 1.00 3.71 H new ATOM 0 HZ3 LYS A 72 0.023 -9.148 0.649 1.00 3.71 H new ATOM 1141 N ILE A 73 -1.573 -3.059 4.800 1.00 0.86 N ATOM 1142 CA ILE A 73 -0.555 -2.133 5.367 1.00 0.82 C ATOM 1143 C ILE A 73 -0.555 -2.279 6.889 1.00 0.72 C ATOM 1144 O ILE A 73 0.477 -2.199 7.532 1.00 0.77 O ATOM 1145 CB ILE A 73 -0.892 -0.693 4.963 1.00 0.84 C ATOM 1146 CG1 ILE A 73 -0.973 -0.614 3.432 1.00 1.09 C ATOM 1147 CG2 ILE A 73 0.204 0.248 5.466 1.00 0.89 C ATOM 1148 CD1 ILE A 73 -1.306 0.816 2.992 1.00 1.12 C ATOM 0 H ILE A 73 -2.355 -2.604 4.330 1.00 0.86 H new ATOM 0 HA ILE A 73 0.436 -2.376 4.982 1.00 0.82 H new ATOM 0 HB ILE A 73 -1.846 -0.399 5.400 1.00 0.84 H new ATOM 0 HG12 ILE A 73 -0.025 -0.925 2.994 1.00 1.09 H new ATOM 0 HG13 ILE A 73 -1.735 -1.302 3.065 1.00 1.09 H new ATOM 0 HG21 ILE A 73 -0.035 1.272 5.179 1.00 0.89 H new ATOM 0 HG22 ILE A 73 0.270 0.182 6.552 1.00 0.89 H new ATOM 0 HG23 ILE A 73 1.159 -0.038 5.026 1.00 0.89 H new ATOM 0 HD11 ILE A 73 -1.361 0.859 1.904 1.00 1.12 H new ATOM 0 HD12 ILE A 73 -2.266 1.113 3.415 1.00 1.12 H new ATOM 0 HD13 ILE A 73 -0.529 1.495 3.343 1.00 1.12 H new ATOM 1160 N ASP A 74 -1.705 -2.526 7.462 1.00 0.72 N ATOM 1161 CA ASP A 74 -1.783 -2.717 8.938 1.00 0.74 C ATOM 1162 C ASP A 74 -1.083 -4.030 9.298 1.00 0.85 C ATOM 1163 O ASP A 74 -0.538 -4.179 10.375 1.00 0.94 O ATOM 1164 CB ASP A 74 -3.250 -2.784 9.372 1.00 0.80 C ATOM 1165 CG ASP A 74 -3.781 -1.368 9.604 1.00 1.45 C ATOM 1166 OD1 ASP A 74 -4.141 -0.724 8.632 1.00 2.83 O ATOM 1167 OD2 ASP A 74 -3.819 -0.952 10.750 1.00 2.09 O ATOM 0 H ASP A 74 -2.594 -2.603 6.969 1.00 0.72 H new ATOM 0 HA ASP A 74 -1.299 -1.883 9.447 1.00 0.74 H new ATOM 0 HB2 ASP A 74 -3.844 -3.285 8.607 1.00 0.80 H new ATOM 0 HB3 ASP A 74 -3.343 -3.373 10.285 1.00 0.80 H new ATOM 1172 N GLU A 75 -1.093 -4.982 8.394 1.00 0.94 N ATOM 1173 CA GLU A 75 -0.427 -6.289 8.660 1.00 1.12 C ATOM 1174 C GLU A 75 1.068 -6.059 8.878 1.00 1.14 C ATOM 1175 O GLU A 75 1.681 -6.674 9.731 1.00 1.28 O ATOM 1176 CB GLU A 75 -0.631 -7.216 7.459 1.00 1.26 C ATOM 1177 CG GLU A 75 -0.472 -8.672 7.901 1.00 1.89 C ATOM 1178 CD GLU A 75 -1.267 -9.580 6.963 1.00 1.93 C ATOM 1179 OE1 GLU A 75 -2.433 -9.296 6.742 1.00 2.29 O ATOM 1180 OE2 GLU A 75 -0.697 -10.544 6.479 1.00 3.07 O ATOM 0 H GLU A 75 -1.538 -4.905 7.479 1.00 0.94 H new ATOM 0 HA GLU A 75 -0.859 -6.746 9.550 1.00 1.12 H new ATOM 0 HB2 GLU A 75 -1.622 -7.061 7.032 1.00 1.26 H new ATOM 0 HB3 GLU A 75 0.093 -6.981 6.679 1.00 1.26 H new ATOM 0 HG2 GLU A 75 0.581 -8.953 7.890 1.00 1.89 H new ATOM 0 HG3 GLU A 75 -0.824 -8.793 8.926 1.00 1.89 H new ATOM 1187 N PHE A 76 1.658 -5.167 8.119 1.00 1.05 N ATOM 1188 CA PHE A 76 3.116 -4.882 8.286 1.00 1.13 C ATOM 1189 C PHE A 76 3.362 -4.331 9.682 1.00 1.16 C ATOM 1190 O PHE A 76 4.272 -4.742 10.376 1.00 1.27 O ATOM 1191 CB PHE A 76 3.580 -3.840 7.253 1.00 1.23 C ATOM 1192 CG PHE A 76 3.046 -4.150 5.863 1.00 1.05 C ATOM 1193 CD1 PHE A 76 2.810 -5.473 5.450 1.00 2.32 C ATOM 1194 CD2 PHE A 76 2.799 -3.093 4.978 1.00 1.83 C ATOM 1195 CE1 PHE A 76 2.327 -5.729 4.162 1.00 2.60 C ATOM 1196 CE2 PHE A 76 2.315 -3.353 3.690 1.00 1.94 C ATOM 1197 CZ PHE A 76 2.078 -4.670 3.283 1.00 1.70 C ATOM 0 H PHE A 76 1.192 -4.625 7.392 1.00 1.05 H new ATOM 0 HA PHE A 76 3.674 -5.807 8.139 1.00 1.13 H new ATOM 0 HB2 PHE A 76 3.244 -2.849 7.559 1.00 1.23 H new ATOM 0 HB3 PHE A 76 4.669 -3.813 7.227 1.00 1.23 H new ATOM 0 HD1 PHE A 76 3.002 -6.292 6.127 1.00 2.32 H new ATOM 0 HD2 PHE A 76 2.982 -2.075 5.290 1.00 1.83 H new ATOM 0 HE1 PHE A 76 2.146 -6.746 3.846 1.00 2.60 H new ATOM 0 HE2 PHE A 76 2.125 -2.536 3.010 1.00 1.94 H new ATOM 0 HZ PHE A 76 1.703 -4.869 2.290 1.00 1.70 H new ATOM 1207 N LEU A 77 2.565 -3.388 10.080 1.00 1.16 N ATOM 1208 CA LEU A 77 2.739 -2.765 11.419 1.00 1.31 C ATOM 1209 C LEU A 77 1.878 -3.486 12.466 1.00 1.34 C ATOM 1210 O LEU A 77 1.666 -2.979 13.552 1.00 1.62 O ATOM 1211 CB LEU A 77 2.344 -1.288 11.328 1.00 1.42 C ATOM 1212 CG LEU A 77 3.048 -0.642 10.120 1.00 1.25 C ATOM 1213 CD1 LEU A 77 2.086 0.298 9.400 1.00 1.83 C ATOM 1214 CD2 LEU A 77 4.274 0.131 10.595 1.00 2.41 C ATOM 0 H LEU A 77 1.790 -3.016 9.530 1.00 1.16 H new ATOM 0 HA LEU A 77 3.781 -2.849 11.728 1.00 1.31 H new ATOM 0 HB2 LEU A 77 1.263 -1.195 11.225 1.00 1.42 H new ATOM 0 HB3 LEU A 77 2.622 -0.769 12.245 1.00 1.42 H new ATOM 0 HG LEU A 77 3.363 -1.423 9.428 1.00 1.25 H new ATOM 0 HD11 LEU A 77 2.591 0.751 8.547 1.00 1.83 H new ATOM 0 HD12 LEU A 77 1.220 -0.265 9.052 1.00 1.83 H new ATOM 0 HD13 LEU A 77 1.760 1.080 10.086 1.00 1.83 H new ATOM 0 HD21 LEU A 77 4.771 0.587 9.739 1.00 2.41 H new ATOM 0 HD22 LEU A 77 3.965 0.909 11.293 1.00 2.41 H new ATOM 0 HD23 LEU A 77 4.963 -0.551 11.093 1.00 2.41 H new ATOM 1226 N ALA A 78 1.387 -4.663 12.156 1.00 1.19 N ATOM 1227 CA ALA A 78 0.548 -5.413 13.136 1.00 1.28 C ATOM 1228 C ALA A 78 1.430 -6.320 14.010 1.00 1.57 C ATOM 1229 O ALA A 78 0.960 -6.905 14.968 1.00 2.05 O ATOM 1230 CB ALA A 78 -0.468 -6.272 12.382 1.00 1.20 C ATOM 0 H ALA A 78 1.533 -5.135 11.264 1.00 1.19 H new ATOM 0 HA ALA A 78 0.029 -4.699 13.776 1.00 1.28 H new ATOM 0 HB1 ALA A 78 -1.082 -6.821 13.096 1.00 1.20 H new ATOM 0 HB2 ALA A 78 -1.105 -5.631 11.773 1.00 1.20 H new ATOM 0 HB3 ALA A 78 0.058 -6.977 11.739 1.00 1.20 H new ATOM 1236 N THR A 79 2.700 -6.447 13.691 1.00 1.70 N ATOM 1237 CA THR A 79 3.596 -7.319 14.505 1.00 2.08 C ATOM 1238 C THR A 79 4.022 -6.578 15.774 1.00 3.13 C ATOM 1239 O THR A 79 4.287 -7.184 16.796 1.00 4.04 O ATOM 1240 CB THR A 79 4.838 -7.676 13.684 1.00 3.06 C ATOM 1241 OG1 THR A 79 4.436 -8.204 12.427 1.00 3.61 O ATOM 1242 CG2 THR A 79 5.668 -8.718 14.435 1.00 3.94 C ATOM 0 H THR A 79 3.149 -5.983 12.902 1.00 1.70 H new ATOM 0 HA THR A 79 3.063 -8.229 14.780 1.00 2.08 H new ATOM 0 HB THR A 79 5.440 -6.781 13.528 1.00 3.06 H new ATOM 0 HG1 THR A 79 5.230 -8.432 11.899 1.00 3.61 H new ATOM 0 HG21 THR A 79 6.552 -8.971 13.849 1.00 3.94 H new ATOM 0 HG22 THR A 79 5.976 -8.312 15.399 1.00 3.94 H new ATOM 0 HG23 THR A 79 5.069 -9.615 14.593 1.00 3.94 H new ATOM 1250 N GLY A 80 4.088 -5.271 15.717 1.00 3.89 N ATOM 1251 CA GLY A 80 4.496 -4.483 16.918 1.00 5.60 C ATOM 1252 C GLY A 80 3.253 -4.116 17.730 1.00 6.86 C ATOM 1253 O GLY A 80 3.003 -2.957 18.007 1.00 8.21 O ATOM 0 H GLY A 80 3.876 -4.716 14.888 1.00 3.89 H new ATOM 0 HA2 GLY A 80 5.186 -5.064 17.531 1.00 5.60 H new ATOM 0 HA3 GLY A 80 5.024 -3.580 16.612 1.00 5.60 H new ATOM 1257 N LYS A 81 2.473 -5.095 18.110 1.00 6.89 N ATOM 1258 CA LYS A 81 1.242 -4.813 18.905 1.00 8.54 C ATOM 1259 C LYS A 81 0.851 -6.061 19.698 1.00 9.16 C ATOM 1260 O LYS A 81 0.435 -7.058 19.137 1.00 8.99 O ATOM 1261 CB LYS A 81 0.101 -4.433 17.959 1.00 8.65 C ATOM 1262 CG LYS A 81 -1.052 -3.833 18.765 1.00 9.91 C ATOM 1263 CD LYS A 81 -2.366 -4.029 18.003 1.00 10.75 C ATOM 1264 CE LYS A 81 -3.466 -3.196 18.662 1.00 12.12 C ATOM 1265 NZ LYS A 81 -3.345 -1.777 18.223 1.00 12.91 N ATOM 0 H LYS A 81 2.637 -6.080 17.903 1.00 6.89 H new ATOM 0 HA LYS A 81 1.434 -3.990 19.593 1.00 8.54 H new ATOM 0 HB2 LYS A 81 0.453 -3.715 17.218 1.00 8.65 H new ATOM 0 HB3 LYS A 81 -0.242 -5.312 17.414 1.00 8.65 H new ATOM 0 HG2 LYS A 81 -1.112 -4.310 19.743 1.00 9.91 H new ATOM 0 HG3 LYS A 81 -0.875 -2.772 18.938 1.00 9.91 H new ATOM 0 HD2 LYS A 81 -2.243 -3.730 16.962 1.00 10.75 H new ATOM 0 HD3 LYS A 81 -2.644 -5.083 18.002 1.00 10.75 H new ATOM 0 HE2 LYS A 81 -4.446 -3.589 18.392 1.00 12.12 H new ATOM 0 HE3 LYS A 81 -3.385 -3.260 19.747 1.00 12.12 H new ATOM 0 HZ1 LYS A 81 -3.563 -1.147 19.021 1.00 12.91 H new ATOM 0 HZ2 LYS A 81 -2.375 -1.597 17.894 1.00 12.91 H new ATOM 0 HZ3 LYS A 81 -4.013 -1.596 17.447 1.00 12.91 H new ATOM 1279 N LEU A 82 0.981 -6.010 20.999 1.00 10.25 N ATOM 1280 CA LEU A 82 0.619 -7.188 21.841 1.00 11.15 C ATOM 1281 C LEU A 82 -0.850 -7.076 22.263 1.00 12.53 C ATOM 1282 O LEU A 82 -1.166 -7.003 23.435 1.00 13.53 O ATOM 1283 CB LEU A 82 1.518 -7.223 23.081 1.00 11.87 C ATOM 1284 CG LEU A 82 2.783 -8.024 22.772 1.00 11.30 C ATOM 1285 CD1 LEU A 82 3.850 -7.724 23.825 1.00 12.24 C ATOM 1286 CD2 LEU A 82 2.456 -9.519 22.790 1.00 11.50 C ATOM 0 H LEU A 82 1.324 -5.200 21.515 1.00 10.25 H new ATOM 0 HA LEU A 82 0.760 -8.107 21.271 1.00 11.15 H new ATOM 0 HB2 LEU A 82 1.781 -6.209 23.381 1.00 11.87 H new ATOM 0 HB3 LEU A 82 0.984 -7.674 23.917 1.00 11.87 H new ATOM 0 HG LEU A 82 3.157 -7.744 21.787 1.00 11.30 H new ATOM 0 HD11 LEU A 82 4.751 -8.296 23.603 1.00 12.24 H new ATOM 0 HD12 LEU A 82 4.084 -6.659 23.813 1.00 12.24 H new ATOM 0 HD13 LEU A 82 3.477 -8.003 24.811 1.00 12.24 H new ATOM 0 HD21 LEU A 82 3.357 -10.091 22.570 1.00 11.50 H new ATOM 0 HD22 LEU A 82 2.081 -9.798 23.775 1.00 11.50 H new ATOM 0 HD23 LEU A 82 1.697 -9.734 22.038 1.00 11.50 H new ATOM 1298 N ARG A 83 -1.746 -7.059 21.308 1.00 12.91 N ATOM 1299 CA ARG A 83 -3.203 -6.949 21.627 1.00 14.53 C ATOM 1300 C ARG A 83 -3.471 -5.626 22.370 1.00 15.91 C ATOM 1301 O ARG A 83 -3.744 -4.616 21.750 1.00 16.48 O ATOM 1302 CB ARG A 83 -3.636 -8.149 22.481 1.00 15.15 C ATOM 1303 CG ARG A 83 -4.129 -9.275 21.568 1.00 15.01 C ATOM 1304 CD ARG A 83 -3.724 -10.628 22.155 1.00 15.16 C ATOM 1305 NE ARG A 83 -4.601 -10.948 23.325 1.00 16.43 N ATOM 1306 CZ ARG A 83 -4.650 -12.163 23.835 1.00 17.03 C ATOM 1307 NH1 ARG A 83 -3.933 -13.146 23.342 1.00 16.60 N ATOM 1308 NH2 ARG A 83 -5.431 -12.394 24.855 1.00 18.31 N ATOM 0 H ARG A 83 -1.529 -7.117 20.313 1.00 12.91 H new ATOM 0 HA ARG A 83 -3.783 -6.953 20.704 1.00 14.53 H new ATOM 0 HB2 ARG A 83 -2.800 -8.498 23.087 1.00 15.15 H new ATOM 0 HB3 ARG A 83 -4.427 -7.852 23.170 1.00 15.15 H new ATOM 0 HG2 ARG A 83 -5.213 -9.223 21.463 1.00 15.01 H new ATOM 0 HG3 ARG A 83 -3.706 -9.159 20.570 1.00 15.01 H new ATOM 0 HD2 ARG A 83 -3.813 -11.406 21.397 1.00 15.16 H new ATOM 0 HD3 ARG A 83 -2.680 -10.603 22.466 1.00 15.16 H new ATOM 0 HE ARG A 83 -5.173 -10.210 23.737 1.00 16.43 H new ATOM 0 HH11 ARG A 83 -3.319 -12.979 22.545 1.00 16.60 H new ATOM 0 HH12 ARG A 83 -3.990 -14.076 23.756 1.00 16.60 H new ATOM 0 HH21 ARG A 83 -5.994 -11.639 25.248 1.00 18.31 H new ATOM 0 HH22 ARG A 83 -5.479 -13.329 25.259 1.00 18.31 H new ATOM 1322 N LYS A 84 -3.395 -5.618 23.684 1.00 16.74 N ATOM 1323 CA LYS A 84 -3.643 -4.357 24.442 1.00 18.30 C ATOM 1324 C LYS A 84 -2.386 -3.984 25.230 1.00 18.67 C ATOM 1325 O LYS A 84 -1.365 -4.638 25.129 1.00 18.10 O ATOM 1326 CB LYS A 84 -4.810 -4.565 25.411 1.00 19.55 C ATOM 1327 CG LYS A 84 -4.533 -5.785 26.291 1.00 19.74 C ATOM 1328 CD LYS A 84 -5.517 -5.805 27.462 1.00 21.07 C ATOM 1329 CE LYS A 84 -6.727 -6.666 27.097 1.00 21.72 C ATOM 1330 NZ LYS A 84 -7.681 -6.694 28.242 1.00 23.22 N ATOM 0 H LYS A 84 -3.172 -6.431 24.258 1.00 16.74 H new ATOM 0 HA LYS A 84 -3.889 -3.555 23.746 1.00 18.30 H new ATOM 0 HB2 LYS A 84 -4.943 -3.679 26.032 1.00 19.55 H new ATOM 0 HB3 LYS A 84 -5.737 -4.707 24.855 1.00 19.55 H new ATOM 0 HG2 LYS A 84 -4.631 -6.699 25.705 1.00 19.74 H new ATOM 0 HG3 LYS A 84 -3.509 -5.753 26.663 1.00 19.74 H new ATOM 0 HD2 LYS A 84 -5.030 -6.202 28.353 1.00 21.07 H new ATOM 0 HD3 LYS A 84 -5.837 -4.790 27.699 1.00 21.07 H new ATOM 0 HE2 LYS A 84 -7.218 -6.265 26.210 1.00 21.72 H new ATOM 0 HE3 LYS A 84 -6.406 -7.679 26.853 1.00 21.72 H new ATOM 0 HZ1 LYS A 84 -8.504 -7.280 27.994 1.00 23.22 H new ATOM 0 HZ2 LYS A 84 -7.209 -7.096 29.077 1.00 23.22 H new ATOM 0 HZ3 LYS A 84 -7.996 -5.726 28.455 1.00 23.22 H new ATOM 1344 N LEU A 85 -2.453 -2.939 26.015 1.00 19.87 N ATOM 1345 CA LEU A 85 -1.265 -2.518 26.814 1.00 20.58 C ATOM 1346 C LEU A 85 -1.691 -2.252 28.259 1.00 22.04 C ATOM 1347 O LEU A 85 -2.721 -1.657 28.513 1.00 22.99 O ATOM 1348 CB LEU A 85 -0.672 -1.241 26.213 1.00 20.93 C ATOM 1349 CG LEU A 85 -0.120 -1.542 24.819 1.00 20.03 C ATOM 1350 CD1 LEU A 85 0.049 -0.235 24.043 1.00 20.59 C ATOM 1351 CD2 LEU A 85 1.239 -2.236 24.948 1.00 19.70 C ATOM 0 H LEU A 85 -3.283 -2.358 26.137 1.00 19.87 H new ATOM 0 HA LEU A 85 -0.516 -3.309 26.796 1.00 20.58 H new ATOM 0 HB2 LEU A 85 -1.436 -0.466 26.154 1.00 20.93 H new ATOM 0 HB3 LEU A 85 0.121 -0.859 26.855 1.00 20.93 H new ATOM 0 HG LEU A 85 -0.814 -2.193 24.287 1.00 20.03 H new ATOM 0 HD11 LEU A 85 0.442 -0.450 23.049 1.00 20.59 H new ATOM 0 HD12 LEU A 85 -0.917 0.261 23.951 1.00 20.59 H new ATOM 0 HD13 LEU A 85 0.742 0.417 24.575 1.00 20.59 H new ATOM 0 HD21 LEU A 85 1.633 -2.451 23.955 1.00 19.70 H new ATOM 0 HD22 LEU A 85 1.932 -1.584 25.480 1.00 19.70 H new ATOM 0 HD23 LEU A 85 1.121 -3.168 25.501 1.00 19.70 H new ATOM 1363 N GLU A 86 -0.902 -2.692 29.209 1.00 22.40 N ATOM 1364 CA GLU A 86 -1.253 -2.472 30.643 1.00 23.96 C ATOM 1365 C GLU A 86 -0.042 -2.798 31.520 1.00 24.42 C ATOM 1366 O GLU A 86 0.392 -1.989 32.317 1.00 25.14 O ATOM 1367 CB GLU A 86 -2.421 -3.381 31.028 1.00 24.33 C ATOM 1368 CG GLU A 86 -3.199 -2.752 32.185 1.00 25.52 C ATOM 1369 CD GLU A 86 -4.296 -3.713 32.646 1.00 26.17 C ATOM 1370 OE1 GLU A 86 -5.294 -3.816 31.954 1.00 26.31 O ATOM 1371 OE2 GLU A 86 -4.117 -4.331 33.683 1.00 26.70 O ATOM 0 H GLU A 86 -0.029 -3.195 29.051 1.00 22.40 H new ATOM 0 HA GLU A 86 -1.539 -1.431 30.791 1.00 23.96 H new ATOM 0 HB2 GLU A 86 -3.079 -3.528 30.171 1.00 24.33 H new ATOM 0 HB3 GLU A 86 -2.050 -4.364 31.318 1.00 24.33 H new ATOM 0 HG2 GLU A 86 -2.525 -2.530 33.012 1.00 25.52 H new ATOM 0 HG3 GLU A 86 -3.639 -1.806 31.869 1.00 25.52 H new ATOM 1378 N LYS A 87 0.502 -3.980 31.378 1.00 24.19 N ATOM 1379 CA LYS A 87 1.685 -4.369 32.200 1.00 24.85 C ATOM 1380 C LYS A 87 2.968 -4.067 31.424 1.00 24.64 C ATOM 1381 O LYS A 87 2.999 -4.346 30.237 1.00 24.05 O ATOM 1382 CB LYS A 87 1.619 -5.867 32.513 1.00 24.87 C ATOM 1383 CG LYS A 87 0.730 -6.094 33.737 1.00 25.99 C ATOM 1384 CD LYS A 87 0.048 -7.459 33.626 1.00 26.05 C ATOM 1385 CE LYS A 87 -0.974 -7.612 34.753 1.00 27.29 C ATOM 1386 NZ LYS A 87 -1.994 -8.628 34.365 1.00 27.41 N ATOM 1387 OXT LYS A 87 3.898 -3.561 32.031 1.00 25.26 O ATOM 0 H LYS A 87 0.176 -4.693 30.726 1.00 24.19 H new ATOM 0 HA LYS A 87 1.682 -3.802 33.131 1.00 24.85 H new ATOM 0 HB2 LYS A 87 1.222 -6.411 31.656 1.00 24.87 H new ATOM 0 HB3 LYS A 87 2.620 -6.255 32.701 1.00 24.87 H new ATOM 0 HG2 LYS A 87 1.328 -6.047 34.647 1.00 25.99 H new ATOM 0 HG3 LYS A 87 -0.020 -5.306 33.807 1.00 25.99 H new ATOM 0 HD2 LYS A 87 -0.445 -7.553 32.658 1.00 26.05 H new ATOM 0 HD3 LYS A 87 0.791 -8.254 33.684 1.00 26.05 H new ATOM 0 HE2 LYS A 87 -0.474 -7.916 35.673 1.00 27.29 H new ATOM 0 HE3 LYS A 87 -1.456 -6.655 34.953 1.00 27.29 H new ATOM 0 HZ1 LYS A 87 -2.689 -8.732 35.131 1.00 27.41 H new ATOM 0 HZ2 LYS A 87 -2.478 -8.320 33.498 1.00 27.41 H new ATOM 0 HZ3 LYS A 87 -1.527 -9.541 34.195 1.00 27.41 H new TER 1401 LYS A 87