USER MOD reduce.3.24.130724 H: found=0, std=0, add=963, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 958 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 39 SER OG : rot 68:sc= -1.48! USER MOD Set 1.2: A 110 SER OG : rot 180:sc= -1.82 USER MOD Set 2.1: A 81 ASN : amide:sc= -0.538 K(o=-14,f=-12!) USER MOD Set 2.2: A 98 HIS : no HD1:sc= -13.7! C(o=-14!,f=-12!) USER MOD Single : A 1 MET CE :methyl -170:sc= 0 (180deg=-0.202) USER MOD Single : A 1 MET N :NH3+ -137:sc= 0.0944 (180deg=-0.215) USER MOD Single : A 2 LYS NZ :NH3+ -162:sc= -1.15 (180deg=-1.87!) USER MOD Single : A 3 SER OG : rot 48:sc= 0.227 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.12 USER MOD Single : A 6 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.263) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 146:sc= 0.0141 (180deg=0) USER MOD Single : A 18 SER OG : rot -53:sc= 0.947 USER MOD Single : A 27 ASN : amide:sc= -2.08 K(o=-2.1,f=-2.9!) USER MOD Single : A 33 CYS SG : rot -114:sc= -1.11! USER MOD Single : A 35 LYS NZ :NH3+ -165:sc= -0.013 (180deg=-0.266) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -118:sc= -1.08 (180deg=-2.93!) USER MOD Single : A 49 TYR OH : rot 80:sc= -0.905 USER MOD Single : A 56 THR OG1 : rot 110:sc= 0.516 USER MOD Single : A 59 GLN : amide:sc= -0.387 K(o=-0.39,f=-2.6!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 158:sc= -0.121 (180deg=-0.861) USER MOD Single : A 74 LYS NZ :NH3+ -139:sc= -0.245 (180deg=-1.47!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0208 USER MOD Single : A 87 THR OG1 : rot 180:sc= -3.14! USER MOD Single : A 91 MET CE :methyl -157:sc= -0.201 (180deg=-1.19) USER MOD Single : A 92 SER OG : rot 180:sc= -0.237 USER MOD Single : A 95 TYR OH : rot 102:sc= 0.919 USER MOD Single : A 96 GLN : amide:sc= -1.62 K(o=-1.6,f=-2.6) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 28:sc= -1.76! USER MOD Single : A 108 THR OG1 : rot -8:sc= 0.444! USER MOD Single : A 109 TYR OH : rot 180:sc= -0.609 USER MOD Single : A 113 ASN : amide:sc= -2.54 X(o=-2.5,f=-3!) USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.164 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.102 3.066 -2.980 1.00 40.22 N ATOM 2 CA MET A 1 0.689 1.981 -2.425 1.00 73.21 C ATOM 3 C MET A 1 1.886 2.520 -1.640 1.00 43.54 C ATOM 4 O MET A 1 2.088 3.731 -1.564 1.00 42.41 O ATOM 5 CB MET A 1 1.184 1.079 -3.557 1.00 44.24 C ATOM 6 CG MET A 1 0.013 0.533 -4.376 1.00 51.33 C ATOM 7 SD MET A 1 0.540 -0.883 -5.327 1.00 12.32 S ATOM 8 CE MET A 1 1.655 -0.089 -6.473 1.00 32.31 C ATOM 0 H1 MET A 1 -1.113 2.863 -2.845 1.00 40.22 H new ATOM 0 H2 MET A 1 0.140 3.954 -2.497 1.00 40.22 H new ATOM 0 H3 MET A 1 0.100 3.159 -3.996 1.00 40.22 H new ATOM 0 HA MET A 1 0.059 1.410 -1.743 1.00 73.21 H new ATOM 0 HB2 MET A 1 1.856 1.640 -4.206 1.00 44.24 H new ATOM 0 HB3 MET A 1 1.759 0.251 -3.142 1.00 44.24 H new ATOM 0 HG2 MET A 1 -0.805 0.252 -3.713 1.00 51.33 H new ATOM 0 HG3 MET A 1 -0.368 1.307 -5.042 1.00 51.33 H new ATOM 0 HE1 MET A 1 1.939 -0.795 -7.253 1.00 32.31 H new ATOM 0 HE2 MET A 1 1.161 0.771 -6.925 1.00 32.31 H new ATOM 0 HE3 MET A 1 2.547 0.243 -5.942 1.00 32.31 H new ATOM 18 N LYS A 2 2.649 1.595 -1.077 1.00 44.41 N ATOM 19 CA LYS A 2 3.822 1.963 -0.301 1.00 54.11 C ATOM 20 C LYS A 2 4.704 2.898 -1.130 1.00 41.33 C ATOM 21 O LYS A 2 4.846 4.076 -0.804 1.00 34.33 O ATOM 22 CB LYS A 2 4.549 0.712 0.197 1.00 54.34 C ATOM 23 CG LYS A 2 4.011 0.271 1.559 1.00 12.35 C ATOM 24 CD LYS A 2 2.482 0.203 1.550 1.00 43.02 C ATOM 25 CE LYS A 2 1.960 -0.553 2.773 1.00 74.12 C ATOM 26 NZ LYS A 2 2.652 -1.854 2.913 1.00 52.22 N ATOM 0 H LYS A 2 2.478 0.592 -1.142 1.00 44.41 H new ATOM 0 HA LYS A 2 3.530 2.511 0.595 1.00 54.11 H new ATOM 0 HB2 LYS A 2 4.427 -0.095 -0.525 1.00 54.34 H new ATOM 0 HB3 LYS A 2 5.618 0.914 0.272 1.00 54.34 H new ATOM 0 HG2 LYS A 2 4.420 -0.706 1.817 1.00 12.35 H new ATOM 0 HG3 LYS A 2 4.343 0.968 2.328 1.00 12.35 H new ATOM 0 HD2 LYS A 2 2.070 1.212 1.538 1.00 43.02 H new ATOM 0 HD3 LYS A 2 2.142 -0.291 0.640 1.00 43.02 H new ATOM 0 HE2 LYS A 2 2.114 0.046 3.671 1.00 74.12 H new ATOM 0 HE3 LYS A 2 0.886 -0.714 2.677 1.00 74.12 H new ATOM 0 HZ1 LYS A 2 2.099 -2.476 3.537 1.00 52.22 H new ATOM 0 HZ2 LYS A 2 2.748 -2.299 1.978 1.00 52.22 H new ATOM 0 HZ3 LYS A 2 3.596 -1.703 3.323 1.00 52.22 H new ATOM 39 N SER A 3 5.275 2.339 -2.187 1.00 74.12 N ATOM 40 CA SER A 3 6.139 3.108 -3.066 1.00 4.13 C ATOM 41 C SER A 3 5.340 3.630 -4.261 1.00 52.40 C ATOM 42 O SER A 3 5.239 2.959 -5.287 1.00 24.34 O ATOM 43 CB SER A 3 7.324 2.268 -3.546 1.00 61.31 C ATOM 44 OG SER A 3 6.910 1.002 -4.054 1.00 0.14 O ATOM 0 H SER A 3 5.156 1.362 -2.454 1.00 74.12 H new ATOM 0 HA SER A 3 6.532 3.955 -2.503 1.00 4.13 H new ATOM 0 HB2 SER A 3 7.863 2.811 -4.322 1.00 61.31 H new ATOM 0 HB3 SER A 3 8.020 2.118 -2.721 1.00 61.31 H new ATOM 0 HG SER A 3 6.159 1.127 -4.671 1.00 0.14 H new ATOM 50 N THR A 4 4.791 4.824 -4.089 1.00 41.00 N ATOM 51 CA THR A 4 4.003 5.444 -5.141 1.00 5.22 C ATOM 52 C THR A 4 4.872 5.710 -6.372 1.00 24.43 C ATOM 53 O THR A 4 4.378 5.704 -7.498 1.00 61.31 O ATOM 54 CB THR A 4 3.360 6.708 -4.567 1.00 44.30 C ATOM 55 OG1 THR A 4 4.365 7.253 -3.715 1.00 73.23 O ATOM 56 CG2 THR A 4 2.199 6.397 -3.621 1.00 73.23 C ATOM 0 H THR A 4 4.876 5.378 -3.237 1.00 41.00 H new ATOM 0 HA THR A 4 3.207 4.782 -5.481 1.00 5.22 H new ATOM 0 HB THR A 4 3.004 7.337 -5.383 1.00 44.30 H new ATOM 0 HG1 THR A 4 4.032 8.077 -3.302 1.00 73.23 H new ATOM 0 HG21 THR A 4 1.779 7.329 -3.242 1.00 73.23 H new ATOM 0 HG22 THR A 4 1.429 5.844 -4.159 1.00 73.23 H new ATOM 0 HG23 THR A 4 2.561 5.796 -2.786 1.00 73.23 H new ATOM 64 N PHE A 5 6.152 5.936 -6.115 1.00 44.12 N ATOM 65 CA PHE A 5 7.095 6.203 -7.188 1.00 51.23 C ATOM 66 C PHE A 5 6.780 5.351 -8.419 1.00 62.23 C ATOM 67 O PHE A 5 7.031 5.769 -9.549 1.00 33.33 O ATOM 68 CB PHE A 5 8.484 5.831 -6.666 1.00 60.24 C ATOM 69 CG PHE A 5 9.608 6.723 -7.198 1.00 21.50 C ATOM 70 CD1 PHE A 5 9.459 7.371 -8.384 1.00 74.21 C ATOM 71 CD2 PHE A 5 10.757 6.867 -6.484 1.00 73.11 C ATOM 72 CE1 PHE A 5 10.502 8.198 -8.877 1.00 53.43 C ATOM 73 CE2 PHE A 5 11.800 7.694 -6.977 1.00 52.44 C ATOM 74 CZ PHE A 5 11.650 8.343 -8.163 1.00 64.25 C ATOM 0 H PHE A 5 6.558 5.940 -5.179 1.00 44.12 H new ATOM 0 HA PHE A 5 7.038 7.251 -7.481 1.00 51.23 H new ATOM 0 HB2 PHE A 5 8.478 5.883 -5.577 1.00 60.24 H new ATOM 0 HB3 PHE A 5 8.697 4.796 -6.935 1.00 60.24 H new ATOM 0 HD1 PHE A 5 8.547 7.256 -8.951 1.00 74.21 H new ATOM 0 HD2 PHE A 5 10.876 6.352 -5.542 1.00 73.11 H new ATOM 0 HE1 PHE A 5 10.384 8.712 -9.819 1.00 53.43 H new ATOM 0 HE2 PHE A 5 12.712 7.808 -6.411 1.00 52.44 H new ATOM 0 HZ PHE A 5 12.443 8.974 -8.538 1.00 64.25 H new ATOM 84 N LYS A 6 6.236 4.171 -8.159 1.00 53.23 N ATOM 85 CA LYS A 6 5.884 3.256 -9.232 1.00 41.40 C ATOM 86 C LYS A 6 4.662 3.797 -9.977 1.00 62.15 C ATOM 87 O LYS A 6 4.696 3.959 -11.196 1.00 74.54 O ATOM 88 CB LYS A 6 5.695 1.839 -8.687 1.00 51.32 C ATOM 89 CG LYS A 6 5.911 0.796 -9.786 1.00 13.24 C ATOM 90 CD LYS A 6 4.934 1.010 -10.944 1.00 65.11 C ATOM 91 CE LYS A 6 4.812 -0.254 -11.798 1.00 11.31 C ATOM 92 NZ LYS A 6 6.150 -0.728 -12.216 1.00 72.35 N ATOM 0 H LYS A 6 6.030 3.827 -7.221 1.00 53.23 H new ATOM 0 HA LYS A 6 6.695 3.188 -9.957 1.00 41.40 H new ATOM 0 HB2 LYS A 6 6.396 1.663 -7.871 1.00 51.32 H new ATOM 0 HB3 LYS A 6 4.692 1.735 -8.274 1.00 51.32 H new ATOM 0 HG2 LYS A 6 6.935 0.857 -10.154 1.00 13.24 H new ATOM 0 HG3 LYS A 6 5.779 -0.204 -9.374 1.00 13.24 H new ATOM 0 HD2 LYS A 6 3.955 1.285 -10.552 1.00 65.11 H new ATOM 0 HD3 LYS A 6 5.274 1.840 -11.563 1.00 65.11 H new ATOM 0 HE2 LYS A 6 4.304 -1.035 -11.232 1.00 11.31 H new ATOM 0 HE3 LYS A 6 4.201 -0.048 -12.677 1.00 11.31 H new ATOM 0 HZ1 LYS A 6 6.051 -1.392 -13.010 1.00 72.35 H new ATOM 0 HZ2 LYS A 6 6.728 0.083 -12.514 1.00 72.35 H new ATOM 0 HZ3 LYS A 6 6.613 -1.209 -11.418 1.00 72.35 H new ATOM 105 N SER A 7 3.612 4.062 -9.214 1.00 23.51 N ATOM 106 CA SER A 7 2.382 4.580 -9.787 1.00 10.52 C ATOM 107 C SER A 7 2.498 6.092 -9.995 1.00 24.21 C ATOM 108 O SER A 7 2.470 6.570 -11.128 1.00 13.12 O ATOM 109 CB SER A 7 1.181 4.258 -8.896 1.00 13.42 C ATOM 110 OG SER A 7 0.638 2.971 -9.176 1.00 70.12 O ATOM 0 H SER A 7 3.588 3.928 -8.203 1.00 23.51 H new ATOM 0 HA SER A 7 2.224 4.098 -10.752 1.00 10.52 H new ATOM 0 HB2 SER A 7 1.483 4.304 -7.850 1.00 13.42 H new ATOM 0 HB3 SER A 7 0.410 5.015 -9.039 1.00 13.42 H new ATOM 0 HG SER A 7 -0.126 2.803 -8.585 1.00 70.12 H new ATOM 116 N GLU A 8 2.627 6.802 -8.884 1.00 22.34 N ATOM 117 CA GLU A 8 2.748 8.249 -8.930 1.00 21.11 C ATOM 118 C GLU A 8 3.598 8.673 -10.129 1.00 61.44 C ATOM 119 O GLU A 8 3.178 9.509 -10.928 1.00 22.22 O ATOM 120 CB GLU A 8 3.333 8.792 -7.625 1.00 14.34 C ATOM 121 CG GLU A 8 3.855 10.218 -7.809 1.00 41.45 C ATOM 122 CD GLU A 8 3.836 10.985 -6.486 1.00 10.24 C ATOM 123 OE1 GLU A 8 2.846 10.914 -5.742 1.00 40.33 O ATOM 124 OE2 GLU A 8 4.899 11.673 -6.239 1.00 10.14 O ATOM 0 H GLU A 8 2.650 6.402 -7.946 1.00 22.34 H new ATOM 0 HA GLU A 8 1.751 8.673 -9.048 1.00 21.11 H new ATOM 0 HB2 GLU A 8 2.570 8.778 -6.847 1.00 14.34 H new ATOM 0 HB3 GLU A 8 4.143 8.145 -7.289 1.00 14.34 H new ATOM 0 HG2 GLU A 8 4.871 10.189 -8.202 1.00 41.45 H new ATOM 0 HG3 GLU A 8 3.244 10.740 -8.545 1.00 41.45 H new ATOM 132 N TYR A 9 4.778 8.076 -10.219 1.00 13.05 N ATOM 133 CA TYR A 9 5.690 8.381 -11.307 1.00 43.13 C ATOM 134 C TYR A 9 6.021 7.124 -12.114 1.00 62.20 C ATOM 135 O TYR A 9 5.859 6.007 -11.624 1.00 51.25 O ATOM 136 CB TYR A 9 6.970 8.903 -10.651 1.00 61.10 C ATOM 137 CG TYR A 9 6.997 10.421 -10.460 1.00 63.33 C ATOM 138 CD1 TYR A 9 6.923 11.255 -11.557 1.00 2.51 C ATOM 139 CD2 TYR A 9 7.096 10.955 -9.192 1.00 11.13 C ATOM 140 CE1 TYR A 9 6.949 12.684 -11.377 1.00 52.04 C ATOM 141 CE2 TYR A 9 7.121 12.384 -9.012 1.00 65.42 C ATOM 142 CZ TYR A 9 7.047 13.178 -10.114 1.00 34.41 C ATOM 143 OH TYR A 9 7.071 14.527 -9.944 1.00 72.34 O ATOM 0 H TYR A 9 5.123 7.382 -9.555 1.00 13.05 H new ATOM 0 HA TYR A 9 5.245 9.105 -11.989 1.00 43.13 H new ATOM 0 HB2 TYR A 9 7.090 8.423 -9.680 1.00 61.10 H new ATOM 0 HB3 TYR A 9 7.824 8.608 -11.260 1.00 61.10 H new ATOM 0 HD1 TYR A 9 6.846 10.837 -12.550 1.00 2.51 H new ATOM 0 HD2 TYR A 9 7.155 10.302 -8.334 1.00 11.13 H new ATOM 0 HE1 TYR A 9 6.892 13.348 -12.227 1.00 52.04 H new ATOM 0 HE2 TYR A 9 7.197 12.815 -8.025 1.00 65.42 H new ATOM 0 HH TYR A 9 7.143 14.735 -8.989 1.00 72.34 H new ATOM 153 N PRO A 10 6.491 7.354 -13.369 1.00 62.44 N ATOM 154 CA PRO A 10 6.846 6.253 -14.249 1.00 22.23 C ATOM 155 C PRO A 10 8.176 5.622 -13.829 1.00 13.50 C ATOM 156 O PRO A 10 8.872 6.152 -12.964 1.00 61.21 O ATOM 157 CB PRO A 10 6.890 6.860 -15.641 1.00 42.14 C ATOM 158 CG PRO A 10 7.016 8.361 -15.438 1.00 1.23 C ATOM 159 CD PRO A 10 6.696 8.663 -13.983 1.00 22.43 C ATOM 0 HA PRO A 10 6.128 5.434 -14.209 1.00 22.23 H new ATOM 0 HB2 PRO A 10 7.734 6.471 -16.210 1.00 42.14 H new ATOM 0 HB3 PRO A 10 5.988 6.616 -16.202 1.00 42.14 H new ATOM 0 HG2 PRO A 10 8.023 8.696 -15.685 1.00 1.23 H new ATOM 0 HG3 PRO A 10 6.332 8.894 -16.098 1.00 1.23 H new ATOM 0 HD2 PRO A 10 7.512 9.203 -13.502 1.00 22.43 H new ATOM 0 HD3 PRO A 10 5.806 9.286 -13.894 1.00 22.43 H new ATOM 167 N PHE A 11 8.488 4.501 -14.461 1.00 70.13 N ATOM 168 CA PHE A 11 9.722 3.793 -14.164 1.00 73.05 C ATOM 169 C PHE A 11 10.929 4.521 -14.759 1.00 54.43 C ATOM 170 O PHE A 11 11.954 4.675 -14.097 1.00 14.41 O ATOM 171 CB PHE A 11 9.609 2.409 -14.807 1.00 31.02 C ATOM 172 CG PHE A 11 10.858 1.541 -14.638 1.00 75.00 C ATOM 173 CD1 PHE A 11 11.938 1.742 -15.439 1.00 24.43 C ATOM 174 CD2 PHE A 11 10.887 0.569 -13.687 1.00 75.25 C ATOM 175 CE1 PHE A 11 13.097 0.936 -15.282 1.00 42.02 C ATOM 176 CE2 PHE A 11 12.045 -0.237 -13.531 1.00 3.21 C ATOM 177 CZ PHE A 11 13.126 -0.036 -14.332 1.00 22.24 C ATOM 0 H PHE A 11 7.908 4.065 -15.178 1.00 70.13 H new ATOM 0 HA PHE A 11 9.865 3.731 -13.085 1.00 73.05 H new ATOM 0 HB2 PHE A 11 8.755 1.887 -14.375 1.00 31.02 H new ATOM 0 HB3 PHE A 11 9.404 2.529 -15.871 1.00 31.02 H new ATOM 0 HD1 PHE A 11 11.915 2.514 -16.194 1.00 24.43 H new ATOM 0 HD2 PHE A 11 10.029 0.410 -13.051 1.00 75.25 H new ATOM 0 HE1 PHE A 11 13.956 1.095 -15.918 1.00 42.02 H new ATOM 0 HE2 PHE A 11 12.068 -1.010 -12.777 1.00 3.21 H new ATOM 0 HZ PHE A 11 14.007 -0.649 -14.213 1.00 22.24 H new ATOM 187 N GLU A 12 10.767 4.950 -16.002 1.00 40.15 N ATOM 188 CA GLU A 12 11.831 5.659 -16.694 1.00 74.40 C ATOM 189 C GLU A 12 12.226 6.914 -15.914 1.00 43.24 C ATOM 190 O GLU A 12 13.311 7.459 -16.116 1.00 73.54 O ATOM 191 CB GLU A 12 11.416 6.009 -18.124 1.00 40.33 C ATOM 192 CG GLU A 12 11.336 4.754 -18.995 1.00 54.04 C ATOM 193 CD GLU A 12 10.524 5.019 -20.265 1.00 63.13 C ATOM 194 OE1 GLU A 12 11.026 4.801 -21.378 1.00 50.22 O ATOM 195 OE2 GLU A 12 9.331 5.466 -20.066 1.00 73.13 O ATOM 0 H GLU A 12 9.915 4.821 -16.548 1.00 40.15 H new ATOM 0 HA GLU A 12 12.700 5.004 -16.754 1.00 74.40 H new ATOM 0 HB2 GLU A 12 10.448 6.511 -18.113 1.00 40.33 H new ATOM 0 HB3 GLU A 12 12.133 6.709 -18.553 1.00 40.33 H new ATOM 0 HG2 GLU A 12 12.341 4.428 -19.263 1.00 54.04 H new ATOM 0 HG3 GLU A 12 10.878 3.943 -18.429 1.00 54.04 H new ATOM 203 N LYS A 13 11.326 7.337 -15.040 1.00 14.42 N ATOM 204 CA LYS A 13 11.567 8.519 -14.229 1.00 21.31 C ATOM 205 C LYS A 13 12.815 8.297 -13.372 1.00 12.05 C ATOM 206 O LYS A 13 13.835 8.955 -13.572 1.00 33.24 O ATOM 207 CB LYS A 13 10.320 8.877 -13.419 1.00 33.55 C ATOM 208 CG LYS A 13 10.421 10.295 -12.855 1.00 14.25 C ATOM 209 CD LYS A 13 10.128 11.337 -13.936 1.00 44.30 C ATOM 210 CE LYS A 13 10.191 12.755 -13.363 1.00 34.51 C ATOM 211 NZ LYS A 13 10.266 13.752 -14.454 1.00 31.12 N ATOM 0 H LYS A 13 10.428 6.883 -14.875 1.00 14.42 H new ATOM 0 HA LYS A 13 11.764 9.383 -14.863 1.00 21.31 H new ATOM 0 HB2 LYS A 13 9.436 8.795 -14.051 1.00 33.55 H new ATOM 0 HB3 LYS A 13 10.195 8.165 -12.603 1.00 33.55 H new ATOM 0 HG2 LYS A 13 9.718 10.413 -12.031 1.00 14.25 H new ATOM 0 HG3 LYS A 13 11.419 10.458 -12.448 1.00 14.25 H new ATOM 0 HD2 LYS A 13 10.849 11.237 -14.748 1.00 44.30 H new ATOM 0 HD3 LYS A 13 9.141 11.157 -14.362 1.00 44.30 H new ATOM 0 HE2 LYS A 13 9.311 12.945 -12.749 1.00 34.51 H new ATOM 0 HE3 LYS A 13 11.060 12.853 -12.713 1.00 34.51 H new ATOM 0 HZ1 LYS A 13 10.308 14.709 -14.048 1.00 31.12 H new ATOM 0 HZ2 LYS A 13 11.119 13.580 -15.024 1.00 31.12 H new ATOM 0 HZ3 LYS A 13 9.424 13.669 -15.058 1.00 31.12 H new ATOM 224 N ARG A 14 12.693 7.368 -12.435 1.00 14.23 N ATOM 225 CA ARG A 14 13.798 7.052 -11.546 1.00 72.41 C ATOM 226 C ARG A 14 15.073 6.800 -12.354 1.00 32.35 C ATOM 227 O ARG A 14 16.177 7.033 -11.865 1.00 63.01 O ATOM 228 CB ARG A 14 13.487 5.816 -10.699 1.00 13.33 C ATOM 229 CG ARG A 14 12.966 4.671 -11.569 1.00 55.24 C ATOM 230 CD ARG A 14 13.153 3.323 -10.871 1.00 73.43 C ATOM 231 NE ARG A 14 12.589 3.378 -9.504 1.00 74.22 N ATOM 232 CZ ARG A 14 11.267 3.390 -9.231 1.00 13.02 C ATOM 233 NH1 ARG A 14 10.360 3.351 -10.230 1.00 51.13 N ATOM 234 NH2 ARG A 14 10.874 3.441 -7.972 1.00 31.24 N ATOM 0 H ARG A 14 11.846 6.824 -12.272 1.00 14.23 H new ATOM 0 HA ARG A 14 13.946 7.905 -10.884 1.00 72.41 H new ATOM 0 HB2 ARG A 14 14.386 5.497 -10.172 1.00 13.33 H new ATOM 0 HB3 ARG A 14 12.745 6.068 -9.941 1.00 13.33 H new ATOM 0 HG2 ARG A 14 11.910 4.828 -11.788 1.00 55.24 H new ATOM 0 HG3 ARG A 14 13.492 4.666 -12.524 1.00 55.24 H new ATOM 0 HD2 ARG A 14 12.662 2.536 -11.444 1.00 73.43 H new ATOM 0 HD3 ARG A 14 14.213 3.071 -10.826 1.00 73.43 H new ATOM 0 HE ARG A 14 13.240 3.409 -8.719 1.00 74.22 H new ATOM 0 HH11 ARG A 14 10.672 3.312 -11.200 1.00 51.13 H new ATOM 0 HH12 ARG A 14 9.363 3.360 -10.014 1.00 51.13 H new ATOM 0 HH21 ARG A 14 11.565 3.471 -7.223 1.00 31.24 H new ATOM 0 HH22 ARG A 14 9.879 3.451 -7.748 1.00 31.24 H new ATOM 247 N LYS A 15 14.877 6.327 -13.576 1.00 24.14 N ATOM 248 CA LYS A 15 15.998 6.041 -14.455 1.00 71.14 C ATOM 249 C LYS A 15 16.686 7.352 -14.840 1.00 63.01 C ATOM 250 O LYS A 15 17.913 7.422 -14.890 1.00 23.42 O ATOM 251 CB LYS A 15 15.538 5.212 -15.657 1.00 10.33 C ATOM 252 CG LYS A 15 16.676 5.025 -16.661 1.00 65.45 C ATOM 253 CD LYS A 15 16.303 3.991 -17.726 1.00 25.32 C ATOM 254 CE LYS A 15 17.063 4.247 -19.029 1.00 22.11 C ATOM 255 NZ LYS A 15 18.466 3.790 -18.909 1.00 50.23 N ATOM 0 H LYS A 15 13.959 6.135 -13.978 1.00 24.14 H new ATOM 0 HA LYS A 15 16.740 5.430 -13.940 1.00 71.14 H new ATOM 0 HB2 LYS A 15 15.184 4.239 -15.318 1.00 10.33 H new ATOM 0 HB3 LYS A 15 14.697 5.706 -16.143 1.00 10.33 H new ATOM 0 HG2 LYS A 15 16.905 5.978 -17.138 1.00 65.45 H new ATOM 0 HG3 LYS A 15 17.578 4.705 -16.139 1.00 65.45 H new ATOM 0 HD2 LYS A 15 16.529 2.989 -17.360 1.00 25.32 H new ATOM 0 HD3 LYS A 15 15.230 4.028 -17.914 1.00 25.32 H new ATOM 0 HE2 LYS A 15 16.573 3.725 -19.851 1.00 22.11 H new ATOM 0 HE3 LYS A 15 17.040 5.310 -19.268 1.00 22.11 H new ATOM 0 HZ1 LYS A 15 18.792 3.426 -19.827 1.00 50.23 H new ATOM 0 HZ2 LYS A 15 19.067 4.588 -18.619 1.00 50.23 H new ATOM 0 HZ3 LYS A 15 18.525 3.035 -18.196 1.00 50.23 H new ATOM 268 N ALA A 16 15.866 8.359 -15.102 1.00 43.03 N ATOM 269 CA ALA A 16 16.381 9.664 -15.481 1.00 12.11 C ATOM 270 C ALA A 16 17.021 10.329 -14.260 1.00 72.15 C ATOM 271 O ALA A 16 18.203 10.668 -14.282 1.00 60.42 O ATOM 272 CB ALA A 16 15.251 10.505 -16.077 1.00 54.34 C ATOM 0 H ALA A 16 14.849 8.298 -15.059 1.00 43.03 H new ATOM 0 HA ALA A 16 17.152 9.565 -16.245 1.00 12.11 H new ATOM 0 HB1 ALA A 16 15.637 11.484 -16.361 1.00 54.34 H new ATOM 0 HB2 ALA A 16 14.850 10.003 -16.958 1.00 54.34 H new ATOM 0 HB3 ALA A 16 14.460 10.628 -15.337 1.00 54.34 H new ATOM 278 N GLU A 17 16.211 10.496 -13.225 1.00 23.31 N ATOM 279 CA GLU A 17 16.684 11.114 -11.998 1.00 33.13 C ATOM 280 C GLU A 17 18.107 10.649 -11.683 1.00 32.33 C ATOM 281 O GLU A 17 19.012 11.468 -11.529 1.00 73.44 O ATOM 282 CB GLU A 17 15.738 10.813 -10.833 1.00 41.21 C ATOM 283 CG GLU A 17 15.623 12.017 -9.895 1.00 62.34 C ATOM 284 CD GLU A 17 14.452 12.916 -10.298 1.00 24.40 C ATOM 285 OE1 GLU A 17 14.662 13.957 -10.937 1.00 52.32 O ATOM 286 OE2 GLU A 17 13.291 12.498 -9.924 1.00 74.21 O ATOM 0 H GLU A 17 15.231 10.214 -13.211 1.00 23.31 H new ATOM 0 HA GLU A 17 16.700 12.194 -12.141 1.00 33.13 H new ATOM 0 HB2 GLU A 17 14.752 10.552 -11.218 1.00 41.21 H new ATOM 0 HB3 GLU A 17 16.102 9.949 -10.278 1.00 41.21 H new ATOM 0 HG2 GLU A 17 15.486 11.672 -8.870 1.00 62.34 H new ATOM 0 HG3 GLU A 17 16.550 12.590 -9.917 1.00 62.34 H new ATOM 294 N SER A 18 18.260 9.336 -11.595 1.00 63.44 N ATOM 295 CA SER A 18 19.558 8.752 -11.301 1.00 71.33 C ATOM 296 C SER A 18 20.618 9.335 -12.237 1.00 44.13 C ATOM 297 O SER A 18 21.724 9.658 -11.805 1.00 34.15 O ATOM 298 CB SER A 18 19.518 7.228 -11.429 1.00 72.31 C ATOM 299 OG SER A 18 19.495 6.806 -12.790 1.00 44.53 O ATOM 0 H SER A 18 17.507 8.660 -11.722 1.00 63.44 H new ATOM 0 HA SER A 18 19.818 8.997 -10.271 1.00 71.33 H new ATOM 0 HB2 SER A 18 20.388 6.800 -10.931 1.00 72.31 H new ATOM 0 HB3 SER A 18 18.636 6.844 -10.916 1.00 72.31 H new ATOM 0 HG SER A 18 18.760 7.254 -13.259 1.00 44.53 H new ATOM 305 N GLU A 19 20.245 9.453 -13.503 1.00 35.51 N ATOM 306 CA GLU A 19 21.150 9.991 -14.504 1.00 13.42 C ATOM 307 C GLU A 19 21.502 11.443 -14.174 1.00 2.20 C ATOM 308 O GLU A 19 22.567 11.929 -14.553 1.00 21.42 O ATOM 309 CB GLU A 19 20.547 9.878 -15.906 1.00 2.45 C ATOM 310 CG GLU A 19 20.255 8.419 -16.261 1.00 3.11 C ATOM 311 CD GLU A 19 21.453 7.776 -16.964 1.00 33.15 C ATOM 312 OE1 GLU A 19 21.332 7.336 -18.117 1.00 30.04 O ATOM 313 OE2 GLU A 19 22.539 7.743 -16.269 1.00 23.11 O ATOM 0 H GLU A 19 19.327 9.185 -13.858 1.00 35.51 H new ATOM 0 HA GLU A 19 22.067 9.403 -14.491 1.00 13.42 H new ATOM 0 HB2 GLU A 19 19.627 10.460 -15.958 1.00 2.45 H new ATOM 0 HB3 GLU A 19 21.235 10.303 -16.637 1.00 2.45 H new ATOM 0 HG2 GLU A 19 20.018 7.861 -15.355 1.00 3.11 H new ATOM 0 HG3 GLU A 19 19.378 8.366 -16.907 1.00 3.11 H new ATOM 321 N ARG A 20 20.588 12.096 -13.472 1.00 31.25 N ATOM 322 CA ARG A 20 20.789 13.482 -13.086 1.00 51.45 C ATOM 323 C ARG A 20 21.722 13.567 -11.877 1.00 15.44 C ATOM 324 O ARG A 20 22.725 14.277 -11.911 1.00 3.52 O ATOM 325 CB ARG A 20 19.459 14.157 -12.745 1.00 40.51 C ATOM 326 CG ARG A 20 18.452 13.992 -13.885 1.00 13.02 C ATOM 327 CD ARG A 20 17.178 14.795 -13.612 1.00 3.30 C ATOM 328 NE ARG A 20 17.528 16.159 -13.155 1.00 22.33 N ATOM 329 CZ ARG A 20 17.975 17.139 -13.969 1.00 32.33 C ATOM 330 NH1 ARG A 20 18.130 16.914 -15.291 1.00 32.32 N ATOM 331 NH2 ARG A 20 18.258 18.320 -13.453 1.00 13.24 N ATOM 0 H ARG A 20 19.706 11.690 -13.160 1.00 31.25 H new ATOM 0 HA ARG A 20 21.239 14.000 -13.933 1.00 51.45 H new ATOM 0 HB2 ARG A 20 19.052 13.726 -11.830 1.00 40.51 H new ATOM 0 HB3 ARG A 20 19.624 15.217 -12.551 1.00 40.51 H new ATOM 0 HG2 ARG A 20 18.901 14.322 -14.822 1.00 13.02 H new ATOM 0 HG3 ARG A 20 18.203 12.938 -14.005 1.00 13.02 H new ATOM 0 HD2 ARG A 20 16.572 14.850 -14.516 1.00 3.30 H new ATOM 0 HD3 ARG A 20 16.576 14.292 -12.855 1.00 3.30 H new ATOM 0 HE ARG A 20 17.425 16.372 -12.163 1.00 22.33 H new ATOM 0 HH11 ARG A 20 17.909 15.998 -15.682 1.00 32.32 H new ATOM 0 HH12 ARG A 20 18.468 17.660 -15.899 1.00 32.32 H new ATOM 0 HH21 ARG A 20 18.138 18.482 -12.453 1.00 13.24 H new ATOM 0 HH22 ARG A 20 18.597 19.071 -14.054 1.00 13.24 H new ATOM 344 N ILE A 21 21.357 12.833 -10.836 1.00 13.44 N ATOM 345 CA ILE A 21 22.148 12.817 -9.617 1.00 63.02 C ATOM 346 C ILE A 21 23.579 12.387 -9.949 1.00 53.43 C ATOM 347 O ILE A 21 24.498 12.622 -9.167 1.00 24.42 O ATOM 348 CB ILE A 21 21.476 11.947 -8.553 1.00 61.23 C ATOM 349 CG1 ILE A 21 20.350 12.710 -7.852 1.00 62.42 C ATOM 350 CG2 ILE A 21 22.505 11.402 -7.560 1.00 52.51 C ATOM 351 CD1 ILE A 21 19.439 11.754 -7.080 1.00 32.14 C ATOM 0 H ILE A 21 20.524 12.245 -10.812 1.00 13.44 H new ATOM 0 HA ILE A 21 22.206 13.817 -9.187 1.00 63.02 H new ATOM 0 HB ILE A 21 21.023 11.089 -9.049 1.00 61.23 H new ATOM 0 HG12 ILE A 21 20.775 13.445 -7.168 1.00 62.42 H new ATOM 0 HG13 ILE A 21 19.765 13.260 -8.589 1.00 62.42 H new ATOM 0 HG21 ILE A 21 22.001 10.787 -6.814 1.00 52.51 H new ATOM 0 HG22 ILE A 21 23.240 10.798 -8.092 1.00 52.51 H new ATOM 0 HG23 ILE A 21 23.008 12.233 -7.065 1.00 52.51 H new ATOM 0 HD11 ILE A 21 18.647 12.321 -6.591 1.00 32.14 H new ATOM 0 HD12 ILE A 21 18.997 11.035 -7.770 1.00 32.14 H new ATOM 0 HD13 ILE A 21 20.023 11.223 -6.328 1.00 32.14 H new ATOM 363 N ALA A 22 23.721 11.766 -11.111 1.00 4.32 N ATOM 364 CA ALA A 22 25.024 11.302 -11.556 1.00 63.21 C ATOM 365 C ALA A 22 25.767 12.454 -12.235 1.00 2.54 C ATOM 366 O ALA A 22 26.972 12.616 -12.048 1.00 64.15 O ATOM 367 CB ALA A 22 24.848 10.097 -12.482 1.00 32.41 C ATOM 0 H ALA A 22 22.956 11.574 -11.757 1.00 4.32 H new ATOM 0 HA ALA A 22 25.625 10.977 -10.707 1.00 63.21 H new ATOM 0 HB1 ALA A 22 25.825 9.749 -12.816 1.00 32.41 H new ATOM 0 HB2 ALA A 22 24.342 9.296 -11.944 1.00 32.41 H new ATOM 0 HB3 ALA A 22 24.251 10.387 -13.347 1.00 32.41 H new ATOM 373 N ASP A 23 25.017 13.226 -13.007 1.00 42.24 N ATOM 374 CA ASP A 23 25.590 14.359 -13.715 1.00 13.24 C ATOM 375 C ASP A 23 26.205 15.328 -12.703 1.00 51.30 C ATOM 376 O ASP A 23 27.224 15.958 -12.982 1.00 23.43 O ATOM 377 CB ASP A 23 24.518 15.115 -14.502 1.00 40.33 C ATOM 378 CG ASP A 23 25.022 15.832 -15.756 1.00 44.23 C ATOM 379 OD1 ASP A 23 24.264 16.059 -16.711 1.00 22.11 O ATOM 380 OD2 ASP A 23 26.268 16.167 -15.729 1.00 11.31 O ATOM 0 H ASP A 23 24.018 13.090 -13.158 1.00 42.24 H new ATOM 0 HA ASP A 23 26.344 13.980 -14.405 1.00 13.24 H new ATOM 0 HB2 ASP A 23 23.738 14.411 -14.793 1.00 40.33 H new ATOM 0 HB3 ASP A 23 24.055 15.850 -13.843 1.00 40.33 H new ATOM 386 N ARG A 24 25.559 15.418 -11.549 1.00 64.05 N ATOM 387 CA ARG A 24 26.030 16.300 -10.495 1.00 24.21 C ATOM 388 C ARG A 24 26.976 15.547 -9.557 1.00 5.51 C ATOM 389 O ARG A 24 28.084 16.009 -9.285 1.00 14.30 O ATOM 390 CB ARG A 24 24.861 16.863 -9.685 1.00 20.23 C ATOM 391 CG ARG A 24 25.199 18.245 -9.121 1.00 63.54 C ATOM 392 CD ARG A 24 26.646 18.296 -8.626 1.00 62.34 C ATOM 393 NE ARG A 24 26.880 19.548 -7.873 1.00 55.25 N ATOM 394 CZ ARG A 24 27.108 20.747 -8.451 1.00 11.02 C ATOM 395 NH1 ARG A 24 27.136 20.866 -9.795 1.00 74.23 N ATOM 396 NH2 ARG A 24 27.304 21.801 -7.681 1.00 11.21 N ATOM 0 H ARG A 24 24.714 14.895 -11.321 1.00 64.05 H new ATOM 0 HA ARG A 24 26.562 17.127 -10.966 1.00 24.21 H new ATOM 0 HB2 ARG A 24 23.976 16.931 -10.317 1.00 20.23 H new ATOM 0 HB3 ARG A 24 24.619 16.183 -8.869 1.00 20.23 H new ATOM 0 HG2 ARG A 24 25.047 19.003 -9.890 1.00 63.54 H new ATOM 0 HG3 ARG A 24 24.522 18.483 -8.301 1.00 63.54 H new ATOM 0 HD2 ARG A 24 26.852 17.435 -7.989 1.00 62.34 H new ATOM 0 HD3 ARG A 24 27.331 18.238 -9.472 1.00 62.34 H new ATOM 0 HE ARG A 24 26.868 19.503 -6.854 1.00 55.25 H new ATOM 0 HH11 ARG A 24 26.984 20.046 -10.383 1.00 74.23 H new ATOM 0 HH12 ARG A 24 27.309 21.776 -10.223 1.00 74.23 H new ATOM 0 HH21 ARG A 24 27.282 21.702 -6.666 1.00 11.21 H new ATOM 0 HH22 ARG A 24 27.478 22.714 -8.101 1.00 11.21 H new ATOM 409 N PHE A 25 26.506 14.401 -9.088 1.00 52.12 N ATOM 410 CA PHE A 25 27.296 13.580 -8.186 1.00 41.44 C ATOM 411 C PHE A 25 27.430 12.152 -8.719 1.00 55.44 C ATOM 412 O PHE A 25 26.826 11.226 -8.181 1.00 12.03 O ATOM 413 CB PHE A 25 26.555 13.546 -6.848 1.00 61.53 C ATOM 414 CG PHE A 25 25.837 14.851 -6.500 1.00 72.05 C ATOM 415 CD1 PHE A 25 26.557 15.958 -6.176 1.00 63.10 C ATOM 416 CD2 PHE A 25 24.478 14.904 -6.516 1.00 10.43 C ATOM 417 CE1 PHE A 25 25.891 17.169 -5.853 1.00 53.42 C ATOM 418 CE2 PHE A 25 23.811 16.116 -6.193 1.00 23.11 C ATOM 419 CZ PHE A 25 24.532 17.223 -5.868 1.00 72.14 C ATOM 0 H PHE A 25 25.587 14.021 -9.316 1.00 52.12 H new ATOM 0 HA PHE A 25 28.298 13.996 -8.085 1.00 41.44 H new ATOM 0 HB2 PHE A 25 25.825 12.737 -6.869 1.00 61.53 H new ATOM 0 HB3 PHE A 25 27.267 13.313 -6.056 1.00 61.53 H new ATOM 0 HD1 PHE A 25 27.636 15.916 -6.164 1.00 63.10 H new ATOM 0 HD2 PHE A 25 23.906 14.025 -6.774 1.00 10.43 H new ATOM 0 HE1 PHE A 25 26.463 18.048 -5.595 1.00 53.42 H new ATOM 0 HE2 PHE A 25 22.732 16.159 -6.205 1.00 23.11 H new ATOM 0 HZ PHE A 25 24.025 18.145 -5.622 1.00 72.14 H new ATOM 429 N PRO A 26 28.245 12.016 -9.799 1.00 62.20 N ATOM 430 CA PRO A 26 28.466 10.717 -10.411 1.00 34.52 C ATOM 431 C PRO A 26 29.398 9.858 -9.554 1.00 44.10 C ATOM 432 O PRO A 26 29.627 8.689 -9.859 1.00 72.35 O ATOM 433 CB PRO A 26 29.035 11.021 -11.787 1.00 2.13 C ATOM 434 CG PRO A 26 29.546 12.451 -11.719 1.00 41.11 C ATOM 435 CD PRO A 26 28.976 13.091 -10.463 1.00 64.35 C ATOM 0 HA PRO A 26 27.551 10.131 -10.495 1.00 34.52 H new ATOM 0 HB2 PRO A 26 29.840 10.330 -12.038 1.00 2.13 H new ATOM 0 HB3 PRO A 26 28.271 10.915 -12.558 1.00 2.13 H new ATOM 0 HG2 PRO A 26 30.636 12.466 -11.694 1.00 41.11 H new ATOM 0 HG3 PRO A 26 29.239 13.008 -12.604 1.00 41.11 H new ATOM 0 HD2 PRO A 26 29.767 13.485 -9.825 1.00 64.35 H new ATOM 0 HD3 PRO A 26 28.318 13.925 -10.707 1.00 64.35 H new ATOM 443 N ASN A 27 29.912 10.472 -8.498 1.00 40.13 N ATOM 444 CA ASN A 27 30.815 9.779 -7.595 1.00 73.31 C ATOM 445 C ASN A 27 30.014 9.193 -6.431 1.00 34.23 C ATOM 446 O ASN A 27 30.561 8.476 -5.594 1.00 60.04 O ATOM 447 CB ASN A 27 31.858 10.737 -7.016 1.00 70.55 C ATOM 448 CG ASN A 27 32.249 11.805 -8.040 1.00 32.23 C ATOM 449 OD1 ASN A 27 32.484 12.957 -7.714 1.00 74.10 O ATOM 450 ND2 ASN A 27 32.305 11.360 -9.292 1.00 21.33 N ATOM 0 H ASN A 27 29.720 11.442 -8.248 1.00 40.13 H new ATOM 0 HA ASN A 27 31.320 8.995 -8.159 1.00 73.31 H new ATOM 0 HB2 ASN A 27 31.461 11.215 -6.120 1.00 70.55 H new ATOM 0 HB3 ASN A 27 32.743 10.177 -6.713 1.00 70.55 H new ATOM 0 HD21 ASN A 27 32.557 11.996 -10.049 1.00 21.33 H new ATOM 0 HD22 ASN A 27 32.096 10.383 -9.496 1.00 21.33 H new ATOM 457 N ARG A 28 28.730 9.520 -6.414 1.00 33.32 N ATOM 458 CA ARG A 28 27.848 9.035 -5.366 1.00 33.22 C ATOM 459 C ARG A 28 27.098 7.787 -5.838 1.00 3.22 C ATOM 460 O ARG A 28 27.316 7.312 -6.952 1.00 14.55 O ATOM 461 CB ARG A 28 26.834 10.107 -4.959 1.00 64.51 C ATOM 462 CG ARG A 28 27.512 11.231 -4.173 1.00 54.22 C ATOM 463 CD ARG A 28 28.734 11.765 -4.923 1.00 54.42 C ATOM 464 NE ARG A 28 29.053 13.134 -4.460 1.00 51.44 N ATOM 465 CZ ARG A 28 29.792 14.018 -5.164 1.00 54.32 C ATOM 466 NH1 ARG A 28 30.295 13.683 -6.371 1.00 55.24 N ATOM 467 NH2 ARG A 28 30.015 15.215 -4.654 1.00 41.23 N ATOM 0 H ARG A 28 28.279 10.115 -7.109 1.00 33.32 H new ATOM 0 HA ARG A 28 28.465 8.788 -4.502 1.00 33.22 H new ATOM 0 HB2 ARG A 28 26.356 10.517 -5.849 1.00 64.51 H new ATOM 0 HB3 ARG A 28 26.047 9.658 -4.353 1.00 64.51 H new ATOM 0 HG2 ARG A 28 26.802 12.041 -4.004 1.00 54.22 H new ATOM 0 HG3 ARG A 28 27.815 10.863 -3.193 1.00 54.22 H new ATOM 0 HD2 ARG A 28 29.588 11.108 -4.758 1.00 54.42 H new ATOM 0 HD3 ARG A 28 28.539 11.771 -5.995 1.00 54.42 H new ATOM 0 HE ARG A 28 28.692 13.428 -3.552 1.00 51.44 H new ATOM 0 HH11 ARG A 28 30.118 12.756 -6.758 1.00 55.24 H new ATOM 0 HH12 ARG A 28 30.852 14.357 -6.896 1.00 55.24 H new ATOM 0 HH21 ARG A 28 29.631 15.460 -3.741 1.00 41.23 H new ATOM 0 HH22 ARG A 28 30.571 15.895 -5.173 1.00 41.23 H new ATOM 480 N ILE A 29 26.232 7.292 -4.967 1.00 35.41 N ATOM 481 CA ILE A 29 25.449 6.108 -5.281 1.00 12.33 C ATOM 482 C ILE A 29 24.070 6.226 -4.628 1.00 1.21 C ATOM 483 O ILE A 29 23.887 5.825 -3.480 1.00 14.34 O ATOM 484 CB ILE A 29 26.210 4.842 -4.885 1.00 24.31 C ATOM 485 CG1 ILE A 29 27.678 4.930 -5.308 1.00 22.23 C ATOM 486 CG2 ILE A 29 25.526 3.593 -5.445 1.00 44.14 C ATOM 487 CD1 ILE A 29 28.419 3.629 -4.992 1.00 31.14 C ATOM 0 H ILE A 29 26.055 7.688 -4.044 1.00 35.41 H new ATOM 0 HA ILE A 29 25.288 6.032 -6.356 1.00 12.33 H new ATOM 0 HB ILE A 29 26.192 4.759 -3.798 1.00 24.31 H new ATOM 0 HG12 ILE A 29 27.740 5.138 -6.376 1.00 22.23 H new ATOM 0 HG13 ILE A 29 28.159 5.761 -4.793 1.00 22.23 H new ATOM 0 HG21 ILE A 29 26.087 2.707 -5.149 1.00 44.14 H new ATOM 0 HG22 ILE A 29 24.511 3.527 -5.053 1.00 44.14 H new ATOM 0 HG23 ILE A 29 25.492 3.654 -6.533 1.00 44.14 H new ATOM 0 HD11 ILE A 29 29.460 3.718 -5.303 1.00 31.14 H new ATOM 0 HD12 ILE A 29 28.375 3.437 -3.920 1.00 31.14 H new ATOM 0 HD13 ILE A 29 27.950 2.804 -5.528 1.00 31.14 H new ATOM 499 N PRO A 30 23.111 6.793 -5.408 1.00 62.34 N ATOM 500 CA PRO A 30 21.755 6.968 -4.918 1.00 53.43 C ATOM 501 C PRO A 30 21.002 5.637 -4.900 1.00 34.35 C ATOM 502 O PRO A 30 20.539 5.166 -5.938 1.00 2.33 O ATOM 503 CB PRO A 30 21.129 7.992 -5.852 1.00 33.24 C ATOM 504 CG PRO A 30 21.997 8.004 -7.099 1.00 74.25 C ATOM 505 CD PRO A 30 23.292 7.279 -6.773 1.00 2.10 C ATOM 0 HA PRO A 30 21.722 7.317 -3.886 1.00 53.43 H new ATOM 0 HB2 PRO A 30 20.101 7.723 -6.094 1.00 33.24 H new ATOM 0 HB3 PRO A 30 21.099 8.978 -5.387 1.00 33.24 H new ATOM 0 HG2 PRO A 30 21.483 7.514 -7.926 1.00 74.25 H new ATOM 0 HG3 PRO A 30 22.201 9.028 -7.412 1.00 74.25 H new ATOM 0 HD2 PRO A 30 23.471 6.457 -7.466 1.00 2.10 H new ATOM 0 HD3 PRO A 30 24.149 7.948 -6.845 1.00 2.10 H new ATOM 513 N VAL A 31 20.902 5.067 -3.708 1.00 34.24 N ATOM 514 CA VAL A 31 20.212 3.799 -3.540 1.00 24.31 C ATOM 515 C VAL A 31 18.839 4.049 -2.913 1.00 60.54 C ATOM 516 O VAL A 31 18.705 4.873 -2.011 1.00 4.33 O ATOM 517 CB VAL A 31 21.077 2.837 -2.722 1.00 11.55 C ATOM 518 CG1 VAL A 31 20.234 1.700 -2.142 1.00 13.24 C ATOM 519 CG2 VAL A 31 22.233 2.290 -3.561 1.00 1.12 C ATOM 0 H VAL A 31 21.287 5.460 -2.849 1.00 34.24 H new ATOM 0 HA VAL A 31 20.046 3.324 -4.507 1.00 24.31 H new ATOM 0 HB VAL A 31 21.504 3.396 -1.889 1.00 11.55 H new ATOM 0 HG11 VAL A 31 20.873 1.031 -1.565 1.00 13.24 H new ATOM 0 HG12 VAL A 31 19.462 2.114 -1.493 1.00 13.24 H new ATOM 0 HG13 VAL A 31 19.765 1.144 -2.954 1.00 13.24 H new ATOM 0 HG21 VAL A 31 22.832 1.609 -2.956 1.00 1.12 H new ATOM 0 HG22 VAL A 31 21.835 1.755 -4.423 1.00 1.12 H new ATOM 0 HG23 VAL A 31 22.857 3.116 -3.903 1.00 1.12 H new ATOM 529 N ILE A 32 17.853 3.321 -3.417 1.00 61.03 N ATOM 530 CA ILE A 32 16.495 3.453 -2.918 1.00 52.34 C ATOM 531 C ILE A 32 16.175 2.270 -2.002 1.00 50.25 C ATOM 532 O ILE A 32 15.730 1.223 -2.468 1.00 74.44 O ATOM 533 CB ILE A 32 15.511 3.616 -4.079 1.00 1.11 C ATOM 534 CG1 ILE A 32 15.348 5.090 -4.457 1.00 63.31 C ATOM 535 CG2 ILE A 32 14.169 2.955 -3.757 1.00 43.21 C ATOM 536 CD1 ILE A 32 16.692 5.819 -4.410 1.00 43.54 C ATOM 0 H ILE A 32 17.968 2.638 -4.166 1.00 61.03 H new ATOM 0 HA ILE A 32 16.396 4.357 -2.317 1.00 52.34 H new ATOM 0 HB ILE A 32 15.922 3.104 -4.949 1.00 1.11 H new ATOM 0 HG12 ILE A 32 14.923 5.168 -5.458 1.00 63.31 H new ATOM 0 HG13 ILE A 32 14.646 5.569 -3.774 1.00 63.31 H new ATOM 0 HG21 ILE A 32 13.488 3.085 -4.598 1.00 43.21 H new ATOM 0 HG22 ILE A 32 14.322 1.891 -3.575 1.00 43.21 H new ATOM 0 HG23 ILE A 32 13.740 3.417 -2.868 1.00 43.21 H new ATOM 0 HD11 ILE A 32 16.549 6.865 -4.683 1.00 43.54 H new ATOM 0 HD12 ILE A 32 17.103 5.760 -3.402 1.00 43.54 H new ATOM 0 HD13 ILE A 32 17.384 5.353 -5.112 1.00 43.54 H new ATOM 548 N CYS A 33 16.415 2.477 -0.716 1.00 13.30 N ATOM 549 CA CYS A 33 16.158 1.441 0.269 1.00 33.24 C ATOM 550 C CYS A 33 14.665 1.457 0.606 1.00 43.03 C ATOM 551 O CYS A 33 14.119 2.497 0.970 1.00 73.01 O ATOM 552 CB CYS A 33 17.026 1.619 1.517 1.00 72.42 C ATOM 553 SG CYS A 33 17.429 -0.015 2.237 1.00 52.23 S ATOM 0 H CYS A 33 16.785 3.347 -0.333 1.00 13.30 H new ATOM 0 HA CYS A 33 16.426 0.469 -0.145 1.00 33.24 H new ATOM 0 HB2 CYS A 33 17.943 2.148 1.260 1.00 72.42 H new ATOM 0 HB3 CYS A 33 16.501 2.230 2.251 1.00 72.42 H new ATOM 0 HG CYS A 33 16.870 -0.124 3.406 1.00 52.23 H new ATOM 559 N GLU A 34 14.048 0.292 0.472 1.00 44.25 N ATOM 560 CA GLU A 34 12.630 0.159 0.757 1.00 52.44 C ATOM 561 C GLU A 34 12.408 -0.841 1.893 1.00 40.12 C ATOM 562 O GLU A 34 12.762 -2.013 1.771 1.00 2.51 O ATOM 563 CB GLU A 34 11.855 -0.254 -0.496 1.00 41.54 C ATOM 564 CG GLU A 34 12.254 0.608 -1.696 1.00 54.03 C ATOM 565 CD GLU A 34 11.594 0.099 -2.980 1.00 24.01 C ATOM 566 OE1 GLU A 34 10.717 0.775 -3.536 1.00 52.44 O ATOM 567 OE2 GLU A 34 12.025 -1.043 -3.398 1.00 40.21 O ATOM 0 H GLU A 34 14.505 -0.568 0.170 1.00 44.25 H new ATOM 0 HA GLU A 34 12.251 1.130 1.075 1.00 52.44 H new ATOM 0 HB2 GLU A 34 12.048 -1.304 -0.718 1.00 41.54 H new ATOM 0 HB3 GLU A 34 10.785 -0.158 -0.314 1.00 41.54 H new ATOM 0 HG2 GLU A 34 11.962 1.643 -1.518 1.00 54.03 H new ATOM 0 HG3 GLU A 34 13.338 0.598 -1.811 1.00 54.03 H new ATOM 575 N LYS A 35 11.823 -0.342 2.972 1.00 61.01 N ATOM 576 CA LYS A 35 11.550 -1.177 4.129 1.00 70.40 C ATOM 577 C LYS A 35 10.559 -2.275 3.737 1.00 20.44 C ATOM 578 O LYS A 35 9.732 -2.081 2.848 1.00 34.32 O ATOM 579 CB LYS A 35 11.085 -0.322 5.310 1.00 65.34 C ATOM 580 CG LYS A 35 10.985 -1.159 6.587 1.00 73.04 C ATOM 581 CD LYS A 35 9.610 -1.822 6.701 1.00 44.41 C ATOM 582 CE LYS A 35 8.639 -0.937 7.485 1.00 72.11 C ATOM 583 NZ LYS A 35 7.251 -1.148 7.015 1.00 44.13 N ATOM 0 H LYS A 35 11.530 0.630 3.069 1.00 61.01 H new ATOM 0 HA LYS A 35 12.461 -1.673 4.464 1.00 70.40 H new ATOM 0 HB2 LYS A 35 11.782 0.501 5.464 1.00 65.34 H new ATOM 0 HB3 LYS A 35 10.115 0.120 5.084 1.00 65.34 H new ATOM 0 HG2 LYS A 35 11.762 -1.923 6.587 1.00 73.04 H new ATOM 0 HG3 LYS A 35 11.161 -0.525 7.456 1.00 73.04 H new ATOM 0 HD2 LYS A 35 9.211 -2.013 5.705 1.00 44.41 H new ATOM 0 HD3 LYS A 35 9.708 -2.788 7.196 1.00 44.41 H new ATOM 0 HE2 LYS A 35 8.708 -1.165 8.549 1.00 72.11 H new ATOM 0 HE3 LYS A 35 8.915 0.111 7.365 1.00 72.11 H new ATOM 0 HZ1 LYS A 35 6.646 -0.378 7.364 1.00 44.13 H new ATOM 0 HZ2 LYS A 35 7.234 -1.158 5.975 1.00 44.13 H new ATOM 0 HZ3 LYS A 35 6.897 -2.057 7.376 1.00 44.13 H new ATOM 596 N ALA A 36 10.676 -3.405 4.420 1.00 13.45 N ATOM 597 CA ALA A 36 9.800 -4.534 4.155 1.00 3.41 C ATOM 598 C ALA A 36 8.568 -4.441 5.057 1.00 21.13 C ATOM 599 O ALA A 36 8.681 -4.524 6.279 1.00 24.53 O ATOM 600 CB ALA A 36 10.574 -5.838 4.357 1.00 60.12 C ATOM 0 H ALA A 36 11.364 -3.563 5.156 1.00 13.45 H new ATOM 0 HA ALA A 36 9.453 -4.517 3.122 1.00 3.41 H new ATOM 0 HB1 ALA A 36 9.918 -6.685 4.158 1.00 60.12 H new ATOM 0 HB2 ALA A 36 11.422 -5.868 3.673 1.00 60.12 H new ATOM 0 HB3 ALA A 36 10.935 -5.892 5.384 1.00 60.12 H new ATOM 606 N GLU A 37 7.419 -4.270 4.420 1.00 22.01 N ATOM 607 CA GLU A 37 6.167 -4.165 5.150 1.00 60.31 C ATOM 608 C GLU A 37 6.040 -5.313 6.153 1.00 33.40 C ATOM 609 O GLU A 37 5.752 -5.087 7.327 1.00 24.35 O ATOM 610 CB GLU A 37 4.975 -4.140 4.192 1.00 54.53 C ATOM 611 CG GLU A 37 4.821 -5.480 3.471 1.00 62.40 C ATOM 612 CD GLU A 37 3.828 -5.370 2.312 1.00 1.43 C ATOM 613 OE1 GLU A 37 3.827 -6.223 1.413 1.00 63.12 O ATOM 614 OE2 GLU A 37 3.036 -4.353 2.368 1.00 2.23 O ATOM 0 H GLU A 37 7.329 -4.202 3.406 1.00 22.01 H new ATOM 0 HA GLU A 37 6.168 -3.225 5.702 1.00 60.31 H new ATOM 0 HB2 GLU A 37 4.064 -3.915 4.746 1.00 54.53 H new ATOM 0 HB3 GLU A 37 5.109 -3.343 3.461 1.00 54.53 H new ATOM 0 HG2 GLU A 37 5.790 -5.807 3.094 1.00 62.40 H new ATOM 0 HG3 GLU A 37 4.480 -6.239 4.175 1.00 62.40 H new ATOM 622 N LYS A 38 6.260 -6.521 5.653 1.00 14.43 N ATOM 623 CA LYS A 38 6.173 -7.705 6.491 1.00 10.42 C ATOM 624 C LYS A 38 6.831 -7.417 7.842 1.00 31.23 C ATOM 625 O LYS A 38 6.411 -7.952 8.867 1.00 10.34 O ATOM 626 CB LYS A 38 6.760 -8.918 5.767 1.00 41.31 C ATOM 627 CG LYS A 38 5.853 -9.362 4.618 1.00 33.50 C ATOM 628 CD LYS A 38 4.756 -10.305 5.119 1.00 41.43 C ATOM 629 CE LYS A 38 5.042 -11.749 4.703 1.00 3.00 C ATOM 630 NZ LYS A 38 5.621 -12.509 5.834 1.00 51.33 N ATOM 0 H LYS A 38 6.498 -6.705 4.678 1.00 14.43 H new ATOM 0 HA LYS A 38 5.131 -7.956 6.690 1.00 10.42 H new ATOM 0 HB2 LYS A 38 7.749 -8.672 5.380 1.00 41.31 H new ATOM 0 HB3 LYS A 38 6.889 -9.739 6.472 1.00 41.31 H new ATOM 0 HG2 LYS A 38 5.400 -8.489 4.149 1.00 33.50 H new ATOM 0 HG3 LYS A 38 6.447 -9.863 3.854 1.00 33.50 H new ATOM 0 HD2 LYS A 38 4.686 -10.243 6.205 1.00 41.43 H new ATOM 0 HD3 LYS A 38 3.792 -9.992 4.719 1.00 41.43 H new ATOM 0 HE2 LYS A 38 4.121 -12.227 4.370 1.00 3.00 H new ATOM 0 HE3 LYS A 38 5.731 -11.761 3.858 1.00 3.00 H new ATOM 0 HZ1 LYS A 38 5.809 -13.487 5.535 1.00 51.33 H new ATOM 0 HZ2 LYS A 38 6.511 -12.061 6.134 1.00 51.33 H new ATOM 0 HZ3 LYS A 38 4.950 -12.513 6.629 1.00 51.33 H new ATOM 643 N SER A 39 7.852 -6.574 7.800 1.00 54.42 N ATOM 644 CA SER A 39 8.572 -6.209 9.008 1.00 53.30 C ATOM 645 C SER A 39 7.615 -5.562 10.012 1.00 44.21 C ATOM 646 O SER A 39 6.424 -5.425 9.740 1.00 13.10 O ATOM 647 CB SER A 39 9.731 -5.262 8.693 1.00 2.52 C ATOM 648 OG SER A 39 10.676 -5.202 9.758 1.00 22.02 O ATOM 0 H SER A 39 8.198 -6.133 6.948 1.00 54.42 H new ATOM 0 HA SER A 39 8.989 -7.116 9.446 1.00 53.30 H new ATOM 0 HB2 SER A 39 10.231 -5.592 7.783 1.00 2.52 H new ATOM 0 HB3 SER A 39 9.340 -4.263 8.498 1.00 2.52 H new ATOM 0 HG SER A 39 11.132 -6.066 9.840 1.00 22.02 H new ATOM 654 N ASP A 40 8.174 -5.181 11.152 1.00 73.14 N ATOM 655 CA ASP A 40 7.385 -4.552 12.198 1.00 44.14 C ATOM 656 C ASP A 40 8.029 -3.218 12.583 1.00 72.24 C ATOM 657 O ASP A 40 7.578 -2.554 13.514 1.00 1.44 O ATOM 658 CB ASP A 40 7.331 -5.429 13.450 1.00 70.54 C ATOM 659 CG ASP A 40 6.551 -4.834 14.624 1.00 45.44 C ATOM 660 OD1 ASP A 40 5.674 -3.977 14.439 1.00 43.14 O ATOM 661 OD2 ASP A 40 6.881 -5.290 15.784 1.00 33.13 O ATOM 0 H ASP A 40 9.163 -5.296 11.374 1.00 73.14 H new ATOM 0 HA ASP A 40 6.374 -4.406 11.817 1.00 44.14 H new ATOM 0 HB2 ASP A 40 6.884 -6.387 13.185 1.00 70.54 H new ATOM 0 HB3 ASP A 40 8.351 -5.632 13.777 1.00 70.54 H new ATOM 667 N ILE A 41 9.072 -2.867 11.846 1.00 44.31 N ATOM 668 CA ILE A 41 9.782 -1.624 12.099 1.00 64.34 C ATOM 669 C ILE A 41 8.968 -0.455 11.542 1.00 45.53 C ATOM 670 O ILE A 41 8.180 -0.628 10.614 1.00 33.31 O ATOM 671 CB ILE A 41 11.207 -1.700 11.547 1.00 44.21 C ATOM 672 CG1 ILE A 41 11.257 -1.231 10.091 1.00 5.34 C ATOM 673 CG2 ILE A 41 11.787 -3.106 11.716 1.00 1.43 C ATOM 674 CD1 ILE A 41 12.531 -1.723 9.400 1.00 13.22 C ATOM 0 H ILE A 41 9.443 -3.421 11.074 1.00 44.31 H new ATOM 0 HA ILE A 41 9.888 -1.457 13.171 1.00 64.34 H new ATOM 0 HB ILE A 41 11.834 -1.022 12.126 1.00 44.21 H new ATOM 0 HG12 ILE A 41 10.383 -1.601 9.556 1.00 5.34 H new ATOM 0 HG13 ILE A 41 11.216 -0.142 10.054 1.00 5.34 H new ATOM 0 HG21 ILE A 41 12.800 -3.132 11.315 1.00 1.43 H new ATOM 0 HG22 ILE A 41 11.808 -3.366 12.774 1.00 1.43 H new ATOM 0 HG23 ILE A 41 11.166 -3.823 11.179 1.00 1.43 H new ATOM 0 HD11 ILE A 41 12.542 -1.376 8.367 1.00 13.22 H new ATOM 0 HD12 ILE A 41 13.403 -1.331 9.923 1.00 13.22 H new ATOM 0 HD13 ILE A 41 12.557 -2.813 9.417 1.00 13.22 H new ATOM 686 N PRO A 42 9.194 0.742 12.147 1.00 10.30 N ATOM 687 CA PRO A 42 8.491 1.940 11.721 1.00 12.45 C ATOM 688 C PRO A 42 9.052 2.465 10.398 1.00 21.22 C ATOM 689 O PRO A 42 10.241 2.766 10.300 1.00 54.02 O ATOM 690 CB PRO A 42 8.658 2.923 12.869 1.00 42.32 C ATOM 691 CG PRO A 42 9.832 2.412 13.688 1.00 62.22 C ATOM 692 CD PRO A 42 10.121 0.986 13.249 1.00 72.45 C ATOM 0 HA PRO A 42 7.435 1.759 11.519 1.00 12.45 H new ATOM 0 HB2 PRO A 42 8.850 3.929 12.497 1.00 42.32 H new ATOM 0 HB3 PRO A 42 7.753 2.974 13.474 1.00 42.32 H new ATOM 0 HG2 PRO A 42 10.707 3.043 13.535 1.00 62.22 H new ATOM 0 HG3 PRO A 42 9.598 2.444 14.752 1.00 62.22 H new ATOM 0 HD2 PRO A 42 11.156 0.873 12.928 1.00 72.45 H new ATOM 0 HD3 PRO A 42 9.961 0.281 14.064 1.00 72.45 H new ATOM 700 N GLU A 43 8.170 2.558 9.414 1.00 43.02 N ATOM 701 CA GLU A 43 8.563 3.041 8.101 1.00 73.03 C ATOM 702 C GLU A 43 9.176 4.438 8.211 1.00 44.24 C ATOM 703 O GLU A 43 9.129 5.059 9.271 1.00 3.04 O ATOM 704 CB GLU A 43 7.374 3.039 7.138 1.00 71.43 C ATOM 705 CG GLU A 43 7.846 2.968 5.684 1.00 32.51 C ATOM 706 CD GLU A 43 6.803 2.277 4.802 1.00 2.32 C ATOM 707 OE1 GLU A 43 5.824 2.914 4.386 1.00 32.03 O ATOM 708 OE2 GLU A 43 7.039 1.034 4.551 1.00 53.11 O ATOM 0 H GLU A 43 7.185 2.307 9.499 1.00 43.02 H new ATOM 0 HA GLU A 43 9.317 2.365 7.698 1.00 73.03 H new ATOM 0 HB2 GLU A 43 6.727 2.190 7.356 1.00 71.43 H new ATOM 0 HB3 GLU A 43 6.779 3.940 7.287 1.00 71.43 H new ATOM 0 HG2 GLU A 43 8.035 3.974 5.310 1.00 32.51 H new ATOM 0 HG3 GLU A 43 8.790 2.425 5.630 1.00 32.51 H new ATOM 716 N ILE A 44 9.738 4.892 7.100 1.00 41.12 N ATOM 717 CA ILE A 44 10.360 6.204 7.058 1.00 4.51 C ATOM 718 C ILE A 44 9.501 7.145 6.211 1.00 70.23 C ATOM 719 O ILE A 44 8.556 6.707 5.557 1.00 53.25 O ATOM 720 CB ILE A 44 11.809 6.096 6.578 1.00 21.53 C ATOM 721 CG1 ILE A 44 11.937 5.071 5.449 1.00 22.23 C ATOM 722 CG2 ILE A 44 12.751 5.785 7.744 1.00 53.14 C ATOM 723 CD1 ILE A 44 13.369 5.024 4.911 1.00 55.32 C ATOM 0 H ILE A 44 9.775 4.374 6.222 1.00 41.12 H new ATOM 0 HA ILE A 44 10.411 6.632 8.059 1.00 4.51 H new ATOM 0 HB ILE A 44 12.108 7.062 6.172 1.00 21.53 H new ATOM 0 HG12 ILE A 44 11.649 4.085 5.814 1.00 22.23 H new ATOM 0 HG13 ILE A 44 11.250 5.326 4.642 1.00 22.23 H new ATOM 0 HG21 ILE A 44 13.774 5.713 7.376 1.00 53.14 H new ATOM 0 HG22 ILE A 44 12.687 6.581 8.486 1.00 53.14 H new ATOM 0 HG23 ILE A 44 12.463 4.839 8.202 1.00 53.14 H new ATOM 0 HD11 ILE A 44 13.433 4.288 4.110 1.00 55.32 H new ATOM 0 HD12 ILE A 44 13.645 6.005 4.525 1.00 55.32 H new ATOM 0 HD13 ILE A 44 14.051 4.745 5.715 1.00 55.32 H new ATOM 735 N ASP A 45 9.860 8.420 6.250 1.00 62.50 N ATOM 736 CA ASP A 45 9.134 9.425 5.494 1.00 53.42 C ATOM 737 C ASP A 45 9.299 9.150 3.998 1.00 54.42 C ATOM 738 O ASP A 45 8.313 8.993 3.280 1.00 55.35 O ATOM 739 CB ASP A 45 9.676 10.827 5.779 1.00 10.24 C ATOM 740 CG ASP A 45 8.704 11.970 5.480 1.00 51.13 C ATOM 741 OD1 ASP A 45 9.007 12.876 4.689 1.00 61.43 O ATOM 742 OD2 ASP A 45 7.578 11.906 6.106 1.00 74.05 O ATOM 0 H ASP A 45 10.644 8.780 6.794 1.00 62.50 H new ATOM 0 HA ASP A 45 8.086 9.376 5.789 1.00 53.42 H new ATOM 0 HB2 ASP A 45 9.966 10.882 6.828 1.00 10.24 H new ATOM 0 HB3 ASP A 45 10.581 10.977 5.190 1.00 10.24 H new ATOM 748 N LYS A 46 10.552 9.101 3.573 1.00 64.45 N ATOM 749 CA LYS A 46 10.859 8.847 2.175 1.00 42.30 C ATOM 750 C LYS A 46 12.043 7.883 2.084 1.00 62.40 C ATOM 751 O LYS A 46 12.822 7.759 3.028 1.00 11.21 O ATOM 752 CB LYS A 46 11.080 10.164 1.428 1.00 51.13 C ATOM 753 CG LYS A 46 10.676 10.035 -0.042 1.00 72.54 C ATOM 754 CD LYS A 46 9.154 9.999 -0.192 1.00 15.55 C ATOM 755 CE LYS A 46 8.588 11.409 -0.377 1.00 2.00 C ATOM 756 NZ LYS A 46 7.210 11.348 -0.913 1.00 41.32 N ATOM 0 H LYS A 46 11.367 9.233 4.172 1.00 64.45 H new ATOM 0 HA LYS A 46 10.016 8.364 1.681 1.00 42.30 H new ATOM 0 HB2 LYS A 46 10.499 10.956 1.900 1.00 51.13 H new ATOM 0 HB3 LYS A 46 12.129 10.454 1.497 1.00 51.13 H new ATOM 0 HG2 LYS A 46 11.081 10.873 -0.609 1.00 72.54 H new ATOM 0 HG3 LYS A 46 11.108 9.127 -0.463 1.00 72.54 H new ATOM 0 HD2 LYS A 46 8.884 9.380 -1.047 1.00 15.55 H new ATOM 0 HD3 LYS A 46 8.709 9.537 0.689 1.00 15.55 H new ATOM 0 HE2 LYS A 46 8.590 11.936 0.577 1.00 2.00 H new ATOM 0 HE3 LYS A 46 9.224 11.976 -1.056 1.00 2.00 H new ATOM 0 HZ1 LYS A 46 6.841 12.313 -1.033 1.00 41.32 H new ATOM 0 HZ2 LYS A 46 7.217 10.863 -1.833 1.00 41.32 H new ATOM 0 HZ3 LYS A 46 6.603 10.825 -0.251 1.00 41.32 H new ATOM 769 N ARG A 47 12.142 7.223 0.939 1.00 53.51 N ATOM 770 CA ARG A 47 13.218 6.274 0.712 1.00 34.43 C ATOM 771 C ARG A 47 14.250 6.861 -0.251 1.00 44.45 C ATOM 772 O ARG A 47 14.034 6.882 -1.462 1.00 72.11 O ATOM 773 CB ARG A 47 12.682 4.961 0.136 1.00 14.44 C ATOM 774 CG ARG A 47 11.872 4.194 1.183 1.00 34.40 C ATOM 775 CD ARG A 47 10.397 4.600 1.141 1.00 20.42 C ATOM 776 NE ARG A 47 9.565 3.551 1.774 1.00 44.43 N ATOM 777 CZ ARG A 47 8.259 3.354 1.499 1.00 74.33 C ATOM 778 NH1 ARG A 47 7.622 4.133 0.598 1.00 23.14 N ATOM 779 NH2 ARG A 47 7.612 2.387 2.124 1.00 42.15 N ATOM 0 H ARG A 47 11.494 7.327 0.158 1.00 53.51 H new ATOM 0 HA ARG A 47 13.689 6.071 1.674 1.00 34.43 H new ATOM 0 HB2 ARG A 47 12.057 5.169 -0.732 1.00 14.44 H new ATOM 0 HB3 ARG A 47 13.512 4.345 -0.209 1.00 14.44 H new ATOM 0 HG2 ARG A 47 11.963 3.122 1.005 1.00 34.40 H new ATOM 0 HG3 ARG A 47 12.278 4.388 2.176 1.00 34.40 H new ATOM 0 HD2 ARG A 47 10.257 5.549 1.659 1.00 20.42 H new ATOM 0 HD3 ARG A 47 10.082 4.752 0.109 1.00 20.42 H new ATOM 0 HE ARG A 47 10.007 2.940 2.460 1.00 44.43 H new ATOM 0 HH11 ARG A 47 8.129 4.878 0.119 1.00 23.14 H new ATOM 0 HH12 ARG A 47 6.634 3.977 0.396 1.00 23.14 H new ATOM 0 HH21 ARG A 47 8.100 1.803 2.803 1.00 42.15 H new ATOM 0 HH22 ARG A 47 6.624 2.225 1.928 1.00 42.15 H new ATOM 792 N LYS A 48 15.351 7.325 0.322 1.00 62.11 N ATOM 793 CA LYS A 48 16.418 7.911 -0.471 1.00 41.53 C ATOM 794 C LYS A 48 17.723 7.869 0.326 1.00 21.22 C ATOM 795 O LYS A 48 17.792 8.387 1.440 1.00 54.14 O ATOM 796 CB LYS A 48 16.029 9.315 -0.939 1.00 15.34 C ATOM 797 CG LYS A 48 16.733 9.672 -2.249 1.00 50.11 C ATOM 798 CD LYS A 48 16.438 11.118 -2.654 1.00 73.44 C ATOM 799 CE LYS A 48 14.932 11.387 -2.667 1.00 33.22 C ATOM 800 NZ LYS A 48 14.466 11.788 -1.320 1.00 72.43 N ATOM 0 H LYS A 48 15.527 7.307 1.327 1.00 62.11 H new ATOM 0 HA LYS A 48 16.580 7.330 -1.379 1.00 41.53 H new ATOM 0 HB2 LYS A 48 14.949 9.370 -1.076 1.00 15.34 H new ATOM 0 HB3 LYS A 48 16.291 10.043 -0.171 1.00 15.34 H new ATOM 0 HG2 LYS A 48 17.808 9.534 -2.137 1.00 50.11 H new ATOM 0 HG3 LYS A 48 16.405 8.995 -3.038 1.00 50.11 H new ATOM 0 HD2 LYS A 48 16.927 11.801 -1.959 1.00 73.44 H new ATOM 0 HD3 LYS A 48 16.855 11.315 -3.642 1.00 73.44 H new ATOM 0 HE2 LYS A 48 14.703 12.173 -3.387 1.00 33.22 H new ATOM 0 HE3 LYS A 48 14.400 10.493 -2.991 1.00 33.22 H new ATOM 0 HZ1 LYS A 48 13.777 11.092 -0.969 1.00 72.43 H new ATOM 0 HZ2 LYS A 48 15.277 11.830 -0.670 1.00 72.43 H new ATOM 0 HZ3 LYS A 48 14.016 12.724 -1.373 1.00 72.43 H new ATOM 813 N TYR A 49 18.726 7.246 -0.275 1.00 4.32 N ATOM 814 CA TYR A 49 20.026 7.129 0.365 1.00 15.25 C ATOM 815 C TYR A 49 21.154 7.414 -0.628 1.00 10.23 C ATOM 816 O TYR A 49 21.467 6.578 -1.474 1.00 2.03 O ATOM 817 CB TYR A 49 20.133 5.678 0.839 1.00 42.23 C ATOM 818 CG TYR A 49 19.022 5.253 1.800 1.00 14.32 C ATOM 819 CD1 TYR A 49 17.755 4.993 1.319 1.00 74.14 C ATOM 820 CD2 TYR A 49 19.286 5.130 3.149 1.00 13.22 C ATOM 821 CE1 TYR A 49 16.708 4.593 2.224 1.00 64.14 C ATOM 822 CE2 TYR A 49 18.240 4.730 4.054 1.00 15.21 C ATOM 823 CZ TYR A 49 17.002 4.481 3.547 1.00 45.33 C ATOM 824 OH TYR A 49 16.014 4.103 4.401 1.00 4.54 O ATOM 0 H TYR A 49 18.665 6.817 -1.198 1.00 4.32 H new ATOM 0 HA TYR A 49 20.117 7.844 1.183 1.00 15.25 H new ATOM 0 HB2 TYR A 49 20.118 5.021 -0.030 1.00 42.23 H new ATOM 0 HB3 TYR A 49 21.096 5.537 1.329 1.00 42.23 H new ATOM 0 HD1 TYR A 49 17.548 5.089 0.263 1.00 74.14 H new ATOM 0 HD2 TYR A 49 20.277 5.334 3.526 1.00 13.22 H new ATOM 0 HE1 TYR A 49 15.712 4.387 1.860 1.00 64.14 H new ATOM 0 HE2 TYR A 49 18.434 4.630 5.112 1.00 15.21 H new ATOM 0 HH TYR A 49 15.899 3.131 4.359 1.00 4.54 H new ATOM 834 N LEU A 50 21.734 8.598 -0.492 1.00 32.22 N ATOM 835 CA LEU A 50 22.821 9.004 -1.367 1.00 33.53 C ATOM 836 C LEU A 50 24.154 8.793 -0.647 1.00 64.02 C ATOM 837 O LEU A 50 24.594 9.651 0.116 1.00 4.40 O ATOM 838 CB LEU A 50 22.606 10.437 -1.858 1.00 65.40 C ATOM 839 CG LEU A 50 23.452 10.868 -3.058 1.00 24.21 C ATOM 840 CD1 LEU A 50 23.672 9.700 -4.022 1.00 12.22 C ATOM 841 CD2 LEU A 50 22.834 12.080 -3.757 1.00 42.02 C ATOM 0 H LEU A 50 21.472 9.289 0.211 1.00 32.22 H new ATOM 0 HA LEU A 50 22.841 8.385 -2.264 1.00 33.53 H new ATOM 0 HB2 LEU A 50 21.554 10.557 -2.118 1.00 65.40 H new ATOM 0 HB3 LEU A 50 22.810 11.118 -1.031 1.00 65.40 H new ATOM 0 HG LEU A 50 24.433 11.173 -2.693 1.00 24.21 H new ATOM 0 HD11 LEU A 50 24.276 10.033 -4.866 1.00 12.22 H new ATOM 0 HD12 LEU A 50 24.188 8.892 -3.503 1.00 12.22 H new ATOM 0 HD13 LEU A 50 22.709 9.341 -4.385 1.00 12.22 H new ATOM 0 HD21 LEU A 50 23.455 12.366 -4.606 1.00 42.02 H new ATOM 0 HD22 LEU A 50 21.834 11.827 -4.108 1.00 42.02 H new ATOM 0 HD23 LEU A 50 22.773 12.912 -3.056 1.00 42.02 H new ATOM 853 N VAL A 51 24.761 7.646 -0.916 1.00 74.00 N ATOM 854 CA VAL A 51 26.035 7.312 -0.304 1.00 23.32 C ATOM 855 C VAL A 51 27.131 7.339 -1.371 1.00 24.21 C ATOM 856 O VAL A 51 26.858 7.133 -2.552 1.00 71.23 O ATOM 857 CB VAL A 51 25.934 5.965 0.415 1.00 74.34 C ATOM 858 CG1 VAL A 51 25.615 6.157 1.899 1.00 40.55 C ATOM 859 CG2 VAL A 51 24.896 5.062 -0.256 1.00 50.54 C ATOM 0 H VAL A 51 24.393 6.936 -1.550 1.00 74.00 H new ATOM 0 HA VAL A 51 26.300 8.050 0.453 1.00 23.32 H new ATOM 0 HB VAL A 51 26.904 5.473 0.342 1.00 74.34 H new ATOM 0 HG11 VAL A 51 25.549 5.184 2.386 1.00 40.55 H new ATOM 0 HG12 VAL A 51 26.404 6.744 2.368 1.00 40.55 H new ATOM 0 HG13 VAL A 51 24.664 6.680 2.002 1.00 40.55 H new ATOM 0 HG21 VAL A 51 24.844 4.111 0.274 1.00 50.54 H new ATOM 0 HG22 VAL A 51 23.920 5.547 -0.229 1.00 50.54 H new ATOM 0 HG23 VAL A 51 25.184 4.884 -1.292 1.00 50.54 H new ATOM 869 N PRO A 52 28.382 7.602 -0.904 1.00 75.53 N ATOM 870 CA PRO A 52 29.520 7.658 -1.805 1.00 41.31 C ATOM 871 C PRO A 52 29.942 6.255 -2.245 1.00 73.21 C ATOM 872 O PRO A 52 29.416 5.260 -1.748 1.00 14.30 O ATOM 873 CB PRO A 52 30.603 8.387 -1.026 1.00 33.34 C ATOM 874 CG PRO A 52 30.194 8.300 0.436 1.00 60.31 C ATOM 875 CD PRO A 52 28.743 7.851 0.488 1.00 31.42 C ATOM 0 HA PRO A 52 29.295 8.182 -2.734 1.00 41.31 H new ATOM 0 HB2 PRO A 52 31.578 7.926 -1.187 1.00 33.34 H new ATOM 0 HB3 PRO A 52 30.684 9.425 -1.348 1.00 33.34 H new ATOM 0 HG2 PRO A 52 30.831 7.595 0.969 1.00 60.31 H new ATOM 0 HG3 PRO A 52 30.312 9.268 0.924 1.00 60.31 H new ATOM 0 HD2 PRO A 52 28.628 6.952 1.094 1.00 31.42 H new ATOM 0 HD3 PRO A 52 28.107 8.617 0.931 1.00 31.42 H new ATOM 883 N ALA A 53 30.887 6.219 -3.173 1.00 1.24 N ATOM 884 CA ALA A 53 31.386 4.954 -3.685 1.00 54.20 C ATOM 885 C ALA A 53 32.552 4.481 -2.816 1.00 21.25 C ATOM 886 O ALA A 53 33.340 3.634 -3.235 1.00 12.04 O ATOM 887 CB ALA A 53 31.782 5.119 -5.154 1.00 22.35 C ATOM 0 H ALA A 53 31.320 7.046 -3.584 1.00 1.24 H new ATOM 0 HA ALA A 53 30.611 4.189 -3.640 1.00 54.20 H new ATOM 0 HB1 ALA A 53 32.156 4.170 -5.539 1.00 22.35 H new ATOM 0 HB2 ALA A 53 30.911 5.427 -5.733 1.00 22.35 H new ATOM 0 HB3 ALA A 53 32.561 5.877 -5.238 1.00 22.35 H new ATOM 893 N ASP A 54 32.626 5.048 -1.620 1.00 51.15 N ATOM 894 CA ASP A 54 33.683 4.695 -0.688 1.00 61.43 C ATOM 895 C ASP A 54 33.061 4.164 0.605 1.00 74.24 C ATOM 896 O ASP A 54 33.775 3.772 1.526 1.00 14.24 O ATOM 897 CB ASP A 54 34.537 5.914 -0.336 1.00 0.11 C ATOM 898 CG ASP A 54 35.719 6.168 -1.273 1.00 42.42 C ATOM 899 OD1 ASP A 54 35.791 5.609 -2.377 1.00 73.43 O ATOM 900 OD2 ASP A 54 36.605 6.992 -0.823 1.00 73.50 O ATOM 0 H ASP A 54 31.971 5.750 -1.275 1.00 51.15 H new ATOM 0 HA ASP A 54 34.311 3.940 -1.161 1.00 61.43 H new ATOM 0 HB2 ASP A 54 33.899 6.797 -0.333 1.00 0.11 H new ATOM 0 HB3 ASP A 54 34.917 5.792 0.678 1.00 0.11 H new ATOM 906 N LEU A 55 31.736 4.168 0.631 1.00 31.21 N ATOM 907 CA LEU A 55 31.009 3.692 1.796 1.00 62.53 C ATOM 908 C LEU A 55 30.644 2.219 1.596 1.00 15.34 C ATOM 909 O LEU A 55 30.557 1.745 0.465 1.00 52.33 O ATOM 910 CB LEU A 55 29.805 4.591 2.081 1.00 51.24 C ATOM 911 CG LEU A 55 28.846 4.104 3.169 1.00 62.11 C ATOM 912 CD1 LEU A 55 28.189 5.283 3.889 1.00 3.10 C ATOM 913 CD2 LEU A 55 27.811 3.135 2.594 1.00 22.31 C ATOM 0 H LEU A 55 31.147 4.493 -0.136 1.00 31.21 H new ATOM 0 HA LEU A 55 31.636 3.748 2.686 1.00 62.53 H new ATOM 0 HB2 LEU A 55 30.172 5.578 2.364 1.00 51.24 H new ATOM 0 HB3 LEU A 55 29.241 4.714 1.156 1.00 51.24 H new ATOM 0 HG LEU A 55 29.424 3.554 3.912 1.00 62.11 H new ATOM 0 HD11 LEU A 55 27.512 4.909 4.657 1.00 3.10 H new ATOM 0 HD12 LEU A 55 28.958 5.901 4.353 1.00 3.10 H new ATOM 0 HD13 LEU A 55 27.628 5.881 3.171 1.00 3.10 H new ATOM 0 HD21 LEU A 55 27.142 2.804 3.388 1.00 22.31 H new ATOM 0 HD22 LEU A 55 27.233 3.638 1.819 1.00 22.31 H new ATOM 0 HD23 LEU A 55 28.320 2.272 2.165 1.00 22.31 H new ATOM 925 N THR A 56 30.439 1.537 2.713 1.00 31.05 N ATOM 926 CA THR A 56 30.085 0.128 2.676 1.00 54.32 C ATOM 927 C THR A 56 28.677 -0.083 3.237 1.00 2.32 C ATOM 928 O THR A 56 28.103 0.823 3.839 1.00 12.12 O ATOM 929 CB THR A 56 31.163 -0.651 3.431 1.00 2.20 C ATOM 930 OG1 THR A 56 30.880 -0.394 4.804 1.00 71.23 O ATOM 931 CG2 THR A 56 32.562 -0.066 3.224 1.00 53.15 C ATOM 0 H THR A 56 30.511 1.934 3.650 1.00 31.05 H new ATOM 0 HA THR A 56 30.052 -0.245 1.652 1.00 54.32 H new ATOM 0 HB THR A 56 31.153 -1.691 3.106 1.00 2.20 H new ATOM 0 HG1 THR A 56 30.547 -1.212 5.228 1.00 71.23 H new ATOM 0 HG21 THR A 56 33.289 -0.656 3.781 1.00 53.15 H new ATOM 0 HG22 THR A 56 32.813 -0.089 2.163 1.00 53.15 H new ATOM 0 HG23 THR A 56 32.582 0.964 3.579 1.00 53.15 H new ATOM 939 N VAL A 57 28.162 -1.284 3.020 1.00 41.00 N ATOM 940 CA VAL A 57 26.833 -1.626 3.497 1.00 53.43 C ATOM 941 C VAL A 57 26.724 -1.279 4.983 1.00 52.11 C ATOM 942 O VAL A 57 25.720 -0.719 5.421 1.00 5.44 O ATOM 943 CB VAL A 57 26.533 -3.097 3.203 1.00 43.15 C ATOM 944 CG1 VAL A 57 25.187 -3.512 3.799 1.00 71.34 C ATOM 945 CG2 VAL A 57 26.577 -3.375 1.699 1.00 74.23 C ATOM 0 H VAL A 57 28.641 -2.033 2.520 1.00 41.00 H new ATOM 0 HA VAL A 57 26.077 -1.043 2.971 1.00 53.43 H new ATOM 0 HB VAL A 57 27.308 -3.699 3.678 1.00 43.15 H new ATOM 0 HG11 VAL A 57 24.998 -4.562 3.575 1.00 71.34 H new ATOM 0 HG12 VAL A 57 25.208 -3.369 4.879 1.00 71.34 H new ATOM 0 HG13 VAL A 57 24.394 -2.901 3.368 1.00 71.34 H new ATOM 0 HG21 VAL A 57 26.360 -4.428 1.517 1.00 74.23 H new ATOM 0 HG22 VAL A 57 25.834 -2.759 1.193 1.00 74.23 H new ATOM 0 HG23 VAL A 57 27.568 -3.137 1.314 1.00 74.23 H new ATOM 955 N GLY A 58 27.771 -1.627 5.717 1.00 15.40 N ATOM 956 CA GLY A 58 27.805 -1.359 7.145 1.00 62.21 C ATOM 957 C GLY A 58 27.191 0.006 7.462 1.00 34.42 C ATOM 958 O GLY A 58 26.199 0.091 8.184 1.00 34.25 O ATOM 0 H GLY A 58 28.601 -2.092 5.350 1.00 15.40 H new ATOM 0 HA2 GLY A 58 27.261 -2.139 7.678 1.00 62.21 H new ATOM 0 HA3 GLY A 58 28.835 -1.390 7.500 1.00 62.21 H new ATOM 962 N GLN A 59 27.806 1.039 6.907 1.00 54.42 N ATOM 963 CA GLN A 59 27.331 2.396 7.122 1.00 64.04 C ATOM 964 C GLN A 59 25.839 2.494 6.800 1.00 34.44 C ATOM 965 O GLN A 59 25.077 3.102 7.551 1.00 61.31 O ATOM 966 CB GLN A 59 28.137 3.397 6.291 1.00 64.50 C ATOM 967 CG GLN A 59 29.638 3.122 6.406 1.00 21.42 C ATOM 968 CD GLN A 59 30.443 4.419 6.302 1.00 33.24 C ATOM 969 OE1 GLN A 59 29.967 5.501 6.606 1.00 61.42 O ATOM 970 NE2 GLN A 59 31.685 4.251 5.858 1.00 70.11 N ATOM 0 H GLN A 59 28.629 0.965 6.309 1.00 54.42 H new ATOM 0 HA GLN A 59 27.473 2.647 8.173 1.00 64.04 H new ATOM 0 HB2 GLN A 59 27.832 3.337 5.246 1.00 64.50 H new ATOM 0 HB3 GLN A 59 27.923 4.411 6.628 1.00 64.50 H new ATOM 0 HG2 GLN A 59 29.850 2.634 7.357 1.00 21.42 H new ATOM 0 HG3 GLN A 59 29.947 2.434 5.619 1.00 21.42 H new ATOM 0 HE21 GLN A 59 32.020 3.317 5.621 1.00 70.11 H new ATOM 0 HE22 GLN A 59 32.303 5.056 5.754 1.00 70.11 H new ATOM 979 N PHE A 60 25.465 1.885 5.684 1.00 1.52 N ATOM 980 CA PHE A 60 24.077 1.896 5.255 1.00 40.35 C ATOM 981 C PHE A 60 23.149 1.456 6.388 1.00 33.41 C ATOM 982 O PHE A 60 22.152 2.118 6.672 1.00 73.22 O ATOM 983 CB PHE A 60 23.959 0.901 4.099 1.00 50.05 C ATOM 984 CG PHE A 60 22.814 1.205 3.130 1.00 10.12 C ATOM 985 CD1 PHE A 60 22.771 2.400 2.482 1.00 15.24 C ATOM 986 CD2 PHE A 60 21.840 0.280 2.917 1.00 12.43 C ATOM 987 CE1 PHE A 60 21.708 2.682 1.584 1.00 51.32 C ATOM 988 CE2 PHE A 60 20.777 0.563 2.019 1.00 61.43 C ATOM 989 CZ PHE A 60 20.734 1.758 1.371 1.00 74.31 C ATOM 0 H PHE A 60 26.099 1.381 5.064 1.00 1.52 H new ATOM 0 HA PHE A 60 23.788 2.904 4.956 1.00 40.35 H new ATOM 0 HB2 PHE A 60 24.897 0.891 3.545 1.00 50.05 H new ATOM 0 HB3 PHE A 60 23.819 -0.100 4.508 1.00 50.05 H new ATOM 0 HD1 PHE A 60 23.545 3.134 2.650 1.00 15.24 H new ATOM 0 HD2 PHE A 60 21.875 -0.669 3.431 1.00 12.43 H new ATOM 0 HE1 PHE A 60 21.673 3.631 1.070 1.00 51.32 H new ATOM 0 HE2 PHE A 60 20.003 -0.171 1.851 1.00 61.43 H new ATOM 0 HZ PHE A 60 19.926 1.973 0.687 1.00 74.31 H new ATOM 999 N VAL A 61 23.509 0.340 7.006 1.00 44.34 N ATOM 1000 CA VAL A 61 22.721 -0.197 8.102 1.00 42.31 C ATOM 1001 C VAL A 61 22.662 0.832 9.233 1.00 24.54 C ATOM 1002 O VAL A 61 21.760 0.790 10.068 1.00 21.04 O ATOM 1003 CB VAL A 61 23.294 -1.544 8.547 1.00 12.24 C ATOM 1004 CG1 VAL A 61 22.367 -2.227 9.554 1.00 32.45 C ATOM 1005 CG2 VAL A 61 23.561 -2.451 7.345 1.00 41.35 C ATOM 0 H VAL A 61 24.336 -0.207 6.768 1.00 44.34 H new ATOM 0 HA VAL A 61 21.697 -0.386 7.781 1.00 42.31 H new ATOM 0 HB VAL A 61 24.247 -1.356 9.042 1.00 12.24 H new ATOM 0 HG11 VAL A 61 22.797 -3.182 9.854 1.00 32.45 H new ATOM 0 HG12 VAL A 61 22.250 -1.590 10.431 1.00 32.45 H new ATOM 0 HG13 VAL A 61 21.393 -2.396 9.095 1.00 32.45 H new ATOM 0 HG21 VAL A 61 23.968 -3.402 7.690 1.00 41.35 H new ATOM 0 HG22 VAL A 61 22.629 -2.628 6.809 1.00 41.35 H new ATOM 0 HG23 VAL A 61 24.277 -1.970 6.678 1.00 41.35 H new ATOM 1015 N TYR A 62 23.636 1.730 9.225 1.00 51.14 N ATOM 1016 CA TYR A 62 23.706 2.767 10.240 1.00 42.42 C ATOM 1017 C TYR A 62 22.792 3.943 9.887 1.00 21.42 C ATOM 1018 O TYR A 62 22.198 4.558 10.771 1.00 40.41 O ATOM 1019 CB TYR A 62 25.158 3.251 10.249 1.00 72.31 C ATOM 1020 CG TYR A 62 25.641 3.743 11.615 1.00 62.35 C ATOM 1021 CD1 TYR A 62 25.089 4.876 12.175 1.00 53.52 C ATOM 1022 CD2 TYR A 62 26.630 3.053 12.286 1.00 31.44 C ATOM 1023 CE1 TYR A 62 25.544 5.340 13.460 1.00 33.51 C ATOM 1024 CE2 TYR A 62 27.085 3.516 13.572 1.00 71.43 C ATOM 1025 CZ TYR A 62 26.519 4.636 14.095 1.00 4.31 C ATOM 1026 OH TYR A 62 26.949 5.074 15.309 1.00 21.41 O ATOM 0 H TYR A 62 24.383 1.761 8.531 1.00 51.14 H new ATOM 0 HA TYR A 62 23.388 2.379 11.208 1.00 42.42 H new ATOM 0 HB2 TYR A 62 25.804 2.437 9.918 1.00 72.31 H new ATOM 0 HB3 TYR A 62 25.266 4.058 9.524 1.00 72.31 H new ATOM 0 HD1 TYR A 62 24.315 5.416 11.649 1.00 53.52 H new ATOM 0 HD2 TYR A 62 27.063 2.166 11.847 1.00 31.44 H new ATOM 0 HE1 TYR A 62 25.121 6.226 13.909 1.00 33.51 H new ATOM 0 HE2 TYR A 62 27.858 2.986 14.108 1.00 71.43 H new ATOM 0 HH TYR A 62 27.647 4.473 15.645 1.00 21.41 H new ATOM 1036 N VAL A 63 22.708 4.218 8.594 1.00 0.20 N ATOM 1037 CA VAL A 63 21.876 5.309 8.114 1.00 63.42 C ATOM 1038 C VAL A 63 20.421 5.046 8.507 1.00 63.21 C ATOM 1039 O VAL A 63 19.803 5.859 9.192 1.00 50.11 O ATOM 1040 CB VAL A 63 22.065 5.486 6.606 1.00 45.11 C ATOM 1041 CG1 VAL A 63 20.875 6.222 5.987 1.00 63.31 C ATOM 1042 CG2 VAL A 63 23.378 6.211 6.299 1.00 33.35 C ATOM 0 H VAL A 63 23.202 3.705 7.864 1.00 0.20 H new ATOM 0 HA VAL A 63 22.173 6.249 8.578 1.00 63.42 H new ATOM 0 HB VAL A 63 22.117 4.494 6.156 1.00 45.11 H new ATOM 0 HG11 VAL A 63 21.035 6.335 4.915 1.00 63.31 H new ATOM 0 HG12 VAL A 63 19.963 5.650 6.160 1.00 63.31 H new ATOM 0 HG13 VAL A 63 20.778 7.206 6.445 1.00 63.31 H new ATOM 0 HG21 VAL A 63 23.488 6.324 5.220 1.00 33.35 H new ATOM 0 HG22 VAL A 63 23.368 7.195 6.768 1.00 33.35 H new ATOM 0 HG23 VAL A 63 24.214 5.631 6.690 1.00 33.35 H new ATOM 1052 N ILE A 64 19.917 3.907 8.056 1.00 34.34 N ATOM 1053 CA ILE A 64 18.546 3.526 8.353 1.00 52.44 C ATOM 1054 C ILE A 64 18.295 3.667 9.855 1.00 4.14 C ATOM 1055 O ILE A 64 17.372 4.364 10.272 1.00 54.32 O ATOM 1056 CB ILE A 64 18.248 2.128 7.808 1.00 50.13 C ATOM 1057 CG1 ILE A 64 18.087 2.155 6.286 1.00 13.34 C ATOM 1058 CG2 ILE A 64 17.029 1.517 8.502 1.00 4.04 C ATOM 1059 CD1 ILE A 64 19.448 2.107 5.590 1.00 61.32 C ATOM 0 H ILE A 64 20.433 3.236 7.487 1.00 34.34 H new ATOM 0 HA ILE A 64 17.848 4.195 7.849 1.00 52.44 H new ATOM 0 HB ILE A 64 19.101 1.486 8.030 1.00 50.13 H new ATOM 0 HG12 ILE A 64 17.481 1.308 5.966 1.00 13.34 H new ATOM 0 HG13 ILE A 64 17.554 3.058 5.989 1.00 13.34 H new ATOM 0 HG21 ILE A 64 16.839 0.523 8.096 1.00 4.04 H new ATOM 0 HG22 ILE A 64 17.220 1.441 9.572 1.00 4.04 H new ATOM 0 HG23 ILE A 64 16.158 2.151 8.333 1.00 4.04 H new ATOM 0 HD11 ILE A 64 19.305 2.127 4.510 1.00 61.32 H new ATOM 0 HD12 ILE A 64 20.043 2.969 5.894 1.00 61.32 H new ATOM 0 HD13 ILE A 64 19.968 1.191 5.870 1.00 61.32 H new ATOM 1071 N ARG A 65 19.135 2.994 10.628 1.00 33.43 N ATOM 1072 CA ARG A 65 19.016 3.035 12.076 1.00 70.31 C ATOM 1073 C ARG A 65 18.717 4.460 12.544 1.00 52.43 C ATOM 1074 O ARG A 65 18.018 4.658 13.536 1.00 31.04 O ATOM 1075 CB ARG A 65 20.300 2.544 12.748 1.00 73.31 C ATOM 1076 CG ARG A 65 20.162 2.560 14.272 1.00 52.14 C ATOM 1077 CD ARG A 65 20.989 1.442 14.909 1.00 34.41 C ATOM 1078 NE ARG A 65 22.349 1.933 15.223 1.00 53.41 N ATOM 1079 CZ ARG A 65 22.679 2.567 16.368 1.00 12.13 C ATOM 1080 NH1 ARG A 65 21.748 2.791 17.320 1.00 0.40 N ATOM 1081 NH2 ARG A 65 23.925 2.964 16.544 1.00 44.13 N ATOM 0 H ARG A 65 19.901 2.417 10.279 1.00 33.43 H new ATOM 0 HA ARG A 65 18.195 2.376 12.360 1.00 70.31 H new ATOM 0 HB2 ARG A 65 20.528 1.533 12.410 1.00 73.31 H new ATOM 0 HB3 ARG A 65 21.136 3.176 12.448 1.00 73.31 H new ATOM 0 HG2 ARG A 65 20.488 3.525 14.660 1.00 52.14 H new ATOM 0 HG3 ARG A 65 19.114 2.444 14.547 1.00 52.14 H new ATOM 0 HD2 ARG A 65 20.501 1.091 15.818 1.00 34.41 H new ATOM 0 HD3 ARG A 65 21.049 0.591 14.231 1.00 34.41 H new ATOM 0 HE ARG A 65 23.083 1.783 14.531 1.00 53.41 H new ATOM 0 HH11 ARG A 65 20.787 2.480 17.177 1.00 0.40 H new ATOM 0 HH12 ARG A 65 22.006 3.271 18.182 1.00 0.40 H new ATOM 0 HH21 ARG A 65 24.623 2.790 15.820 1.00 44.13 H new ATOM 0 HH22 ARG A 65 24.191 3.444 17.404 1.00 44.13 H new ATOM 1094 N LYS A 66 19.261 5.417 11.806 1.00 13.44 N ATOM 1095 CA LYS A 66 19.061 6.819 12.133 1.00 12.03 C ATOM 1096 C LYS A 66 17.702 7.275 11.596 1.00 25.34 C ATOM 1097 O LYS A 66 16.962 7.975 12.285 1.00 31.22 O ATOM 1098 CB LYS A 66 20.235 7.660 11.628 1.00 21.23 C ATOM 1099 CG LYS A 66 21.520 7.318 12.385 1.00 30.44 C ATOM 1100 CD LYS A 66 21.314 7.436 13.897 1.00 51.12 C ATOM 1101 CE LYS A 66 20.600 8.742 14.252 1.00 73.30 C ATOM 1102 NZ LYS A 66 20.984 9.190 15.609 1.00 44.31 N ATOM 0 H LYS A 66 19.840 5.249 10.983 1.00 13.44 H new ATOM 0 HA LYS A 66 19.041 6.959 13.214 1.00 12.03 H new ATOM 0 HB2 LYS A 66 20.380 7.486 10.562 1.00 21.23 H new ATOM 0 HB3 LYS A 66 20.008 8.719 11.750 1.00 21.23 H new ATOM 0 HG2 LYS A 66 21.835 6.305 12.135 1.00 30.44 H new ATOM 0 HG3 LYS A 66 22.321 7.987 12.070 1.00 30.44 H new ATOM 0 HD2 LYS A 66 20.730 6.589 14.255 1.00 51.12 H new ATOM 0 HD3 LYS A 66 22.278 7.395 14.403 1.00 51.12 H new ATOM 0 HE2 LYS A 66 20.854 9.512 13.523 1.00 73.30 H new ATOM 0 HE3 LYS A 66 19.521 8.599 14.202 1.00 73.30 H new ATOM 0 HZ1 LYS A 66 20.491 10.077 15.834 1.00 44.31 H new ATOM 0 HZ2 LYS A 66 20.720 8.462 16.303 1.00 44.31 H new ATOM 0 HZ3 LYS A 66 22.012 9.346 15.645 1.00 44.31 H new ATOM 1115 N ARG A 67 17.416 6.859 10.371 1.00 25.14 N ATOM 1116 CA ARG A 67 16.160 7.216 9.734 1.00 22.42 C ATOM 1117 C ARG A 67 14.981 6.688 10.554 1.00 52.23 C ATOM 1118 O ARG A 67 13.885 7.244 10.499 1.00 34.41 O ATOM 1119 CB ARG A 67 16.081 6.648 8.316 1.00 64.42 C ATOM 1120 CG ARG A 67 16.788 7.567 7.317 1.00 33.31 C ATOM 1121 CD ARG A 67 18.250 7.155 7.132 1.00 12.35 C ATOM 1122 NE ARG A 67 19.118 7.959 8.022 1.00 72.20 N ATOM 1123 CZ ARG A 67 19.650 9.152 7.684 1.00 40.44 C ATOM 1124 NH1 ARG A 67 19.407 9.692 6.470 1.00 32.22 N ATOM 1125 NH2 ARG A 67 20.412 9.784 8.557 1.00 50.20 N ATOM 0 H ARG A 67 18.033 6.278 9.803 1.00 25.14 H new ATOM 0 HA ARG A 67 16.112 8.304 9.681 1.00 22.42 H new ATOM 0 HB2 ARG A 67 16.537 5.658 8.291 1.00 64.42 H new ATOM 0 HB3 ARG A 67 15.037 6.525 8.027 1.00 64.42 H new ATOM 0 HG2 ARG A 67 16.272 7.532 6.357 1.00 33.31 H new ATOM 0 HG3 ARG A 67 16.739 8.598 7.668 1.00 33.31 H new ATOM 0 HD2 ARG A 67 18.369 6.095 7.355 1.00 12.35 H new ATOM 0 HD3 ARG A 67 18.548 7.298 6.093 1.00 12.35 H new ATOM 0 HE ARG A 67 19.327 7.588 8.949 1.00 72.20 H new ATOM 0 HH11 ARG A 67 18.817 9.197 5.801 1.00 32.22 H new ATOM 0 HH12 ARG A 67 19.813 10.594 6.223 1.00 32.22 H new ATOM 0 HH21 ARG A 67 20.591 9.370 9.472 1.00 50.20 H new ATOM 0 HH22 ARG A 67 20.822 10.687 8.317 1.00 50.20 H new ATOM 1138 N ILE A 68 15.246 5.622 11.294 1.00 12.14 N ATOM 1139 CA ILE A 68 14.220 5.013 12.124 1.00 11.52 C ATOM 1140 C ILE A 68 14.594 5.185 13.598 1.00 60.22 C ATOM 1141 O ILE A 68 13.824 4.818 14.484 1.00 21.21 O ATOM 1142 CB ILE A 68 13.992 3.558 11.713 1.00 60.52 C ATOM 1143 CG1 ILE A 68 15.271 2.943 11.141 1.00 60.23 C ATOM 1144 CG2 ILE A 68 12.815 3.440 10.742 1.00 65.03 C ATOM 1145 CD1 ILE A 68 15.177 1.416 11.104 1.00 11.15 C ATOM 0 H ILE A 68 16.156 5.164 11.336 1.00 12.14 H new ATOM 0 HA ILE A 68 13.264 5.515 11.977 1.00 11.52 H new ATOM 0 HB ILE A 68 13.732 2.988 12.605 1.00 60.52 H new ATOM 0 HG12 ILE A 68 15.444 3.325 10.135 1.00 60.23 H new ATOM 0 HG13 ILE A 68 16.126 3.244 11.747 1.00 60.23 H new ATOM 0 HG21 ILE A 68 12.675 2.395 10.466 1.00 65.03 H new ATOM 0 HG22 ILE A 68 11.910 3.814 11.221 1.00 65.03 H new ATOM 0 HG23 ILE A 68 13.021 4.027 9.847 1.00 65.03 H new ATOM 0 HD11 ILE A 68 16.099 1.005 10.693 1.00 11.15 H new ATOM 0 HD12 ILE A 68 15.029 1.036 12.115 1.00 11.15 H new ATOM 0 HD13 ILE A 68 14.336 1.118 10.478 1.00 11.15 H new ATOM 1157 N MET A 69 15.776 5.742 13.814 1.00 2.42 N ATOM 1158 CA MET A 69 16.262 5.967 15.165 1.00 32.22 C ATOM 1159 C MET A 69 15.932 4.778 16.071 1.00 42.42 C ATOM 1160 O MET A 69 15.365 4.953 17.148 1.00 3.03 O ATOM 1161 CB MET A 69 15.622 7.235 15.734 1.00 60.03 C ATOM 1162 CG MET A 69 14.096 7.120 15.749 1.00 63.12 C ATOM 1163 SD MET A 69 13.390 8.489 16.650 1.00 52.44 S ATOM 1164 CE MET A 69 13.968 9.850 15.649 1.00 23.13 C ATOM 0 H MET A 69 16.412 6.044 13.076 1.00 2.42 H new ATOM 0 HA MET A 69 17.345 6.082 15.127 1.00 32.22 H new ATOM 0 HB2 MET A 69 15.987 7.408 16.746 1.00 60.03 H new ATOM 0 HB3 MET A 69 15.919 8.097 15.136 1.00 60.03 H new ATOM 0 HG2 MET A 69 13.714 7.110 14.728 1.00 63.12 H new ATOM 0 HG3 MET A 69 13.798 6.178 16.210 1.00 63.12 H new ATOM 0 HE1 MET A 69 13.330 10.719 15.813 1.00 23.13 H new ATOM 0 HE2 MET A 69 14.993 10.095 15.926 1.00 23.13 H new ATOM 0 HE3 MET A 69 13.934 9.568 14.597 1.00 23.13 H new ATOM 1174 N LEU A 70 16.302 3.596 15.600 1.00 13.41 N ATOM 1175 CA LEU A 70 16.052 2.379 16.354 1.00 44.41 C ATOM 1176 C LEU A 70 17.057 2.282 17.504 1.00 40.12 C ATOM 1177 O LEU A 70 18.152 2.837 17.425 1.00 52.20 O ATOM 1178 CB LEU A 70 16.060 1.163 15.426 1.00 43.12 C ATOM 1179 CG LEU A 70 14.690 0.588 15.062 1.00 51.44 C ATOM 1180 CD1 LEU A 70 13.657 1.703 14.887 1.00 14.04 C ATOM 1181 CD2 LEU A 70 14.782 -0.306 13.824 1.00 71.50 C ATOM 0 H LEU A 70 16.773 3.455 14.706 1.00 13.41 H new ATOM 0 HA LEU A 70 15.058 2.404 16.800 1.00 44.41 H new ATOM 0 HB2 LEU A 70 16.573 1.438 14.504 1.00 43.12 H new ATOM 0 HB3 LEU A 70 16.649 0.376 15.896 1.00 43.12 H new ATOM 0 HG LEU A 70 14.352 -0.038 15.888 1.00 51.44 H new ATOM 0 HD11 LEU A 70 12.692 1.267 14.629 1.00 14.04 H new ATOM 0 HD12 LEU A 70 13.565 2.263 15.818 1.00 14.04 H new ATOM 0 HD13 LEU A 70 13.977 2.374 14.090 1.00 14.04 H new ATOM 0 HD21 LEU A 70 13.794 -0.702 13.587 1.00 71.50 H new ATOM 0 HD22 LEU A 70 15.151 0.277 12.981 1.00 71.50 H new ATOM 0 HD23 LEU A 70 15.466 -1.131 14.021 1.00 71.50 H new ATOM 1193 N PRO A 71 16.638 1.554 18.573 1.00 31.21 N ATOM 1194 CA PRO A 71 17.488 1.377 19.738 1.00 65.43 C ATOM 1195 C PRO A 71 18.609 0.375 19.451 1.00 41.20 C ATOM 1196 O PRO A 71 18.597 -0.298 18.422 1.00 74.13 O ATOM 1197 CB PRO A 71 16.551 0.919 20.843 1.00 23.04 C ATOM 1198 CG PRO A 71 15.300 0.411 20.146 1.00 62.24 C ATOM 1199 CD PRO A 71 15.348 0.882 18.701 1.00 11.24 C ATOM 0 HA PRO A 71 18.003 2.293 20.026 1.00 65.43 H new ATOM 0 HB2 PRO A 71 17.010 0.133 21.443 1.00 23.04 H new ATOM 0 HB3 PRO A 71 16.315 1.740 21.520 1.00 23.04 H new ATOM 0 HG2 PRO A 71 15.253 -0.677 20.192 1.00 62.24 H new ATOM 0 HG3 PRO A 71 14.406 0.790 20.642 1.00 62.24 H new ATOM 0 HD2 PRO A 71 15.268 0.044 18.008 1.00 11.24 H new ATOM 0 HD3 PRO A 71 14.524 1.560 18.478 1.00 11.24 H new ATOM 1207 N PRO A 72 19.577 0.307 20.404 1.00 35.34 N ATOM 1208 CA PRO A 72 20.702 -0.601 20.265 1.00 62.34 C ATOM 1209 C PRO A 72 20.279 -2.046 20.541 1.00 43.44 C ATOM 1210 O PRO A 72 21.099 -2.960 20.471 1.00 32.23 O ATOM 1211 CB PRO A 72 21.745 -0.090 21.245 1.00 15.34 C ATOM 1212 CG PRO A 72 20.994 0.797 22.226 1.00 44.21 C ATOM 1213 CD PRO A 72 19.624 1.089 21.636 1.00 22.13 C ATOM 0 HA PRO A 72 21.103 -0.620 19.252 1.00 62.34 H new ATOM 0 HB2 PRO A 72 22.235 -0.916 21.761 1.00 15.34 H new ATOM 0 HB3 PRO A 72 22.525 0.470 20.729 1.00 15.34 H new ATOM 0 HG2 PRO A 72 20.896 0.301 23.191 1.00 44.21 H new ATOM 0 HG3 PRO A 72 21.541 1.724 22.398 1.00 44.21 H new ATOM 0 HD2 PRO A 72 18.828 0.797 22.321 1.00 22.13 H new ATOM 0 HD3 PRO A 72 19.498 2.153 21.435 1.00 22.13 H new ATOM 1221 N GLU A 73 19.000 -2.206 20.848 1.00 44.43 N ATOM 1222 CA GLU A 73 18.459 -3.523 21.134 1.00 33.13 C ATOM 1223 C GLU A 73 17.824 -4.121 19.877 1.00 13.12 C ATOM 1224 O GLU A 73 17.808 -5.339 19.704 1.00 3.34 O ATOM 1225 CB GLU A 73 17.450 -3.463 22.283 1.00 74.02 C ATOM 1226 CG GLU A 73 17.991 -2.629 23.446 1.00 65.52 C ATOM 1227 CD GLU A 73 17.340 -3.043 24.767 1.00 23.40 C ATOM 1228 OE1 GLU A 73 16.630 -2.238 25.387 1.00 73.11 O ATOM 1229 OE2 GLU A 73 17.594 -4.250 25.145 1.00 32.42 O ATOM 0 H GLU A 73 18.323 -1.445 20.905 1.00 44.43 H new ATOM 0 HA GLU A 73 19.278 -4.171 21.446 1.00 33.13 H new ATOM 0 HB2 GLU A 73 16.514 -3.033 21.927 1.00 74.02 H new ATOM 0 HB3 GLU A 73 17.226 -4.472 22.628 1.00 74.02 H new ATOM 0 HG2 GLU A 73 19.072 -2.752 23.515 1.00 65.52 H new ATOM 0 HG3 GLU A 73 17.802 -1.572 23.259 1.00 65.52 H new ATOM 1237 N LYS A 74 17.315 -3.236 19.032 1.00 63.51 N ATOM 1238 CA LYS A 74 16.681 -3.662 17.796 1.00 54.41 C ATOM 1239 C LYS A 74 17.722 -4.332 16.897 1.00 32.24 C ATOM 1240 O LYS A 74 18.920 -4.252 17.163 1.00 21.22 O ATOM 1241 CB LYS A 74 15.961 -2.486 17.132 1.00 75.45 C ATOM 1242 CG LYS A 74 14.456 -2.541 17.403 1.00 73.55 C ATOM 1243 CD LYS A 74 13.689 -2.976 16.152 1.00 51.22 C ATOM 1244 CE LYS A 74 12.383 -3.679 16.526 1.00 14.11 C ATOM 1245 NZ LYS A 74 12.649 -4.821 17.428 1.00 22.44 N ATOM 0 H LYS A 74 17.329 -2.227 19.179 1.00 63.51 H new ATOM 0 HA LYS A 74 15.910 -4.406 18.000 1.00 54.41 H new ATOM 0 HB2 LYS A 74 16.368 -1.547 17.508 1.00 75.45 H new ATOM 0 HB3 LYS A 74 16.142 -2.504 16.057 1.00 75.45 H new ATOM 0 HG2 LYS A 74 14.255 -3.237 18.218 1.00 73.55 H new ATOM 0 HG3 LYS A 74 14.105 -1.561 17.727 1.00 73.55 H new ATOM 0 HD2 LYS A 74 13.473 -2.106 15.533 1.00 51.22 H new ATOM 0 HD3 LYS A 74 14.309 -3.646 15.556 1.00 51.22 H new ATOM 0 HE2 LYS A 74 11.710 -2.973 17.012 1.00 14.11 H new ATOM 0 HE3 LYS A 74 11.881 -4.029 15.624 1.00 14.11 H new ATOM 0 HZ1 LYS A 74 12.050 -5.626 17.155 1.00 22.44 H new ATOM 0 HZ2 LYS A 74 13.650 -5.094 17.356 1.00 22.44 H new ATOM 0 HZ3 LYS A 74 12.434 -4.547 18.408 1.00 22.44 H new ATOM 1258 N ALA A 75 17.226 -4.978 15.852 1.00 24.42 N ATOM 1259 CA ALA A 75 18.099 -5.662 14.913 1.00 70.40 C ATOM 1260 C ALA A 75 17.545 -5.499 13.496 1.00 13.44 C ATOM 1261 O ALA A 75 16.537 -6.110 13.146 1.00 73.22 O ATOM 1262 CB ALA A 75 18.235 -7.131 15.319 1.00 24.15 C ATOM 0 H ALA A 75 16.231 -5.042 15.635 1.00 24.42 H new ATOM 0 HA ALA A 75 19.097 -5.225 14.930 1.00 70.40 H new ATOM 0 HB1 ALA A 75 18.890 -7.644 14.615 1.00 24.15 H new ATOM 0 HB2 ALA A 75 18.660 -7.194 16.321 1.00 24.15 H new ATOM 0 HB3 ALA A 75 17.253 -7.603 15.311 1.00 24.15 H new ATOM 1268 N ILE A 76 18.228 -4.670 12.720 1.00 14.13 N ATOM 1269 CA ILE A 76 17.816 -4.418 11.350 1.00 41.13 C ATOM 1270 C ILE A 76 18.827 -5.054 10.393 1.00 0.42 C ATOM 1271 O ILE A 76 20.011 -5.152 10.711 1.00 1.24 O ATOM 1272 CB ILE A 76 17.609 -2.920 11.119 1.00 4.42 C ATOM 1273 CG1 ILE A 76 16.509 -2.670 10.086 1.00 34.42 C ATOM 1274 CG2 ILE A 76 18.924 -2.238 10.732 1.00 15.03 C ATOM 1275 CD1 ILE A 76 15.882 -1.288 10.276 1.00 55.22 C ATOM 0 H ILE A 76 19.064 -4.165 13.014 1.00 14.13 H new ATOM 0 HA ILE A 76 16.851 -4.884 11.151 1.00 41.13 H new ATOM 0 HB ILE A 76 17.277 -2.473 12.056 1.00 4.42 H new ATOM 0 HG12 ILE A 76 16.924 -2.750 9.081 1.00 34.42 H new ATOM 0 HG13 ILE A 76 15.740 -3.437 10.175 1.00 34.42 H new ATOM 0 HG21 ILE A 76 18.749 -1.174 10.573 1.00 15.03 H new ATOM 0 HG22 ILE A 76 19.652 -2.371 11.532 1.00 15.03 H new ATOM 0 HG23 ILE A 76 19.308 -2.683 9.814 1.00 15.03 H new ATOM 0 HD11 ILE A 76 15.103 -1.136 9.529 1.00 55.22 H new ATOM 0 HD12 ILE A 76 15.447 -1.220 11.273 1.00 55.22 H new ATOM 0 HD13 ILE A 76 16.649 -0.522 10.162 1.00 55.22 H new ATOM 1287 N PHE A 77 18.323 -5.469 9.241 1.00 53.25 N ATOM 1288 CA PHE A 77 19.167 -6.092 8.236 1.00 71.34 C ATOM 1289 C PHE A 77 18.743 -5.673 6.827 1.00 42.25 C ATOM 1290 O PHE A 77 17.553 -5.539 6.547 1.00 50.55 O ATOM 1291 CB PHE A 77 18.990 -7.605 8.379 1.00 23.22 C ATOM 1292 CG PHE A 77 19.189 -8.122 9.806 1.00 75.14 C ATOM 1293 CD1 PHE A 77 20.430 -8.475 10.235 1.00 52.12 C ATOM 1294 CD2 PHE A 77 18.123 -8.229 10.644 1.00 2.24 C ATOM 1295 CE1 PHE A 77 20.614 -8.955 11.559 1.00 52.54 C ATOM 1296 CE2 PHE A 77 18.307 -8.708 11.968 1.00 21.51 C ATOM 1297 CZ PHE A 77 19.548 -9.061 12.397 1.00 25.24 C ATOM 0 H PHE A 77 17.340 -5.386 8.981 1.00 53.25 H new ATOM 0 HA PHE A 77 20.204 -5.787 8.380 1.00 71.34 H new ATOM 0 HB2 PHE A 77 17.990 -7.877 8.041 1.00 23.22 H new ATOM 0 HB3 PHE A 77 19.697 -8.107 7.719 1.00 23.22 H new ATOM 0 HD1 PHE A 77 21.276 -8.390 9.569 1.00 52.12 H new ATOM 0 HD2 PHE A 77 17.137 -7.950 10.303 1.00 2.24 H new ATOM 0 HE1 PHE A 77 21.600 -9.236 11.900 1.00 52.54 H new ATOM 0 HE2 PHE A 77 17.461 -8.792 12.634 1.00 21.51 H new ATOM 0 HZ PHE A 77 19.687 -9.426 13.404 1.00 25.24 H new ATOM 1307 N ILE A 78 19.741 -5.478 5.977 1.00 53.53 N ATOM 1308 CA ILE A 78 19.486 -5.076 4.604 1.00 62.15 C ATOM 1309 C ILE A 78 19.522 -6.311 3.701 1.00 51.22 C ATOM 1310 O ILE A 78 20.136 -7.319 4.046 1.00 32.22 O ATOM 1311 CB ILE A 78 20.460 -3.975 4.178 1.00 14.01 C ATOM 1312 CG1 ILE A 78 20.823 -3.076 5.362 1.00 35.42 C ATOM 1313 CG2 ILE A 78 19.900 -3.174 3.001 1.00 44.42 C ATOM 1314 CD1 ILE A 78 19.616 -2.251 5.814 1.00 43.53 C ATOM 0 H ILE A 78 20.727 -5.591 6.213 1.00 53.53 H new ATOM 0 HA ILE A 78 18.490 -4.642 4.513 1.00 62.15 H new ATOM 0 HB ILE A 78 21.382 -4.447 3.837 1.00 14.01 H new ATOM 0 HG12 ILE A 78 21.181 -3.687 6.191 1.00 35.42 H new ATOM 0 HG13 ILE A 78 21.639 -2.410 5.081 1.00 35.42 H new ATOM 0 HG21 ILE A 78 20.611 -2.398 2.718 1.00 44.42 H new ATOM 0 HG22 ILE A 78 19.733 -3.840 2.154 1.00 44.42 H new ATOM 0 HG23 ILE A 78 18.956 -2.713 3.291 1.00 44.42 H new ATOM 0 HD11 ILE A 78 19.901 -1.621 6.657 1.00 43.53 H new ATOM 0 HD12 ILE A 78 19.275 -1.624 4.990 1.00 43.53 H new ATOM 0 HD13 ILE A 78 18.811 -2.920 6.117 1.00 43.53 H new ATOM 1326 N PHE A 79 18.856 -6.191 2.562 1.00 72.12 N ATOM 1327 CA PHE A 79 18.804 -7.285 1.607 1.00 74.02 C ATOM 1328 C PHE A 79 18.792 -6.759 0.170 1.00 1.32 C ATOM 1329 O PHE A 79 18.240 -5.693 -0.100 1.00 23.01 O ATOM 1330 CB PHE A 79 17.502 -8.046 1.869 1.00 4.20 C ATOM 1331 CG PHE A 79 17.383 -8.604 3.289 1.00 50.42 C ATOM 1332 CD1 PHE A 79 17.079 -7.773 4.322 1.00 35.42 C ATOM 1333 CD2 PHE A 79 17.581 -9.929 3.517 1.00 24.45 C ATOM 1334 CE1 PHE A 79 16.968 -8.291 5.640 1.00 52.02 C ATOM 1335 CE2 PHE A 79 17.471 -10.447 4.835 1.00 33.02 C ATOM 1336 CZ PHE A 79 17.166 -9.617 5.869 1.00 43.25 C ATOM 0 H PHE A 79 18.348 -5.353 2.279 1.00 72.12 H new ATOM 0 HA PHE A 79 19.680 -7.923 1.725 1.00 74.02 H new ATOM 0 HB2 PHE A 79 16.660 -7.381 1.679 1.00 4.20 H new ATOM 0 HB3 PHE A 79 17.425 -8.869 1.158 1.00 4.20 H new ATOM 0 HD1 PHE A 79 16.922 -6.720 4.140 1.00 35.42 H new ATOM 0 HD2 PHE A 79 17.822 -10.588 2.696 1.00 24.45 H new ATOM 0 HE1 PHE A 79 16.726 -7.632 6.461 1.00 52.02 H new ATOM 0 HE2 PHE A 79 17.629 -11.500 5.016 1.00 33.02 H new ATOM 0 HZ PHE A 79 17.081 -10.011 6.871 1.00 43.25 H new ATOM 1346 N VAL A 80 19.408 -7.530 -0.714 1.00 34.23 N ATOM 1347 CA VAL A 80 19.475 -7.155 -2.116 1.00 22.01 C ATOM 1348 C VAL A 80 19.205 -8.387 -2.982 1.00 41.34 C ATOM 1349 O VAL A 80 19.819 -9.434 -2.787 1.00 22.40 O ATOM 1350 CB VAL A 80 20.823 -6.496 -2.417 1.00 32.10 C ATOM 1351 CG1 VAL A 80 21.309 -5.672 -1.223 1.00 51.12 C ATOM 1352 CG2 VAL A 80 21.865 -7.540 -2.823 1.00 71.05 C ATOM 0 H VAL A 80 19.865 -8.413 -0.486 1.00 34.23 H new ATOM 0 HA VAL A 80 18.708 -6.417 -2.352 1.00 22.01 H new ATOM 0 HB VAL A 80 20.684 -5.817 -3.258 1.00 32.10 H new ATOM 0 HG11 VAL A 80 22.269 -5.214 -1.463 1.00 51.12 H new ATOM 0 HG12 VAL A 80 20.581 -4.892 -0.999 1.00 51.12 H new ATOM 0 HG13 VAL A 80 21.424 -6.322 -0.355 1.00 51.12 H new ATOM 0 HG21 VAL A 80 22.814 -7.045 -3.031 1.00 71.05 H new ATOM 0 HG22 VAL A 80 21.999 -8.255 -2.011 1.00 71.05 H new ATOM 0 HG23 VAL A 80 21.526 -8.065 -3.716 1.00 71.05 H new ATOM 1362 N ASN A 81 18.286 -8.220 -3.922 1.00 14.14 N ATOM 1363 CA ASN A 81 17.927 -9.305 -4.819 1.00 33.02 C ATOM 1364 C ASN A 81 17.515 -10.527 -3.995 1.00 52.11 C ATOM 1365 O ASN A 81 17.867 -11.656 -4.334 1.00 12.30 O ATOM 1366 CB ASN A 81 19.112 -9.706 -5.700 1.00 34.24 C ATOM 1367 CG ASN A 81 19.308 -8.708 -6.843 1.00 33.43 C ATOM 1368 OD1 ASN A 81 19.023 -8.983 -7.997 1.00 21.22 O ATOM 1369 ND2 ASN A 81 19.809 -7.538 -6.459 1.00 15.31 N ATOM 0 H ASN A 81 17.779 -7.349 -4.082 1.00 14.14 H new ATOM 0 HA ASN A 81 17.107 -8.963 -5.451 1.00 33.02 H new ATOM 0 HB2 ASN A 81 20.018 -9.755 -5.096 1.00 34.24 H new ATOM 0 HB3 ASN A 81 18.946 -10.703 -6.108 1.00 34.24 H new ATOM 0 HD21 ASN A 81 19.977 -6.804 -7.148 1.00 15.31 H new ATOM 0 HD22 ASN A 81 20.025 -7.374 -5.476 1.00 15.31 H new ATOM 1376 N ASP A 82 16.775 -10.260 -2.929 1.00 51.10 N ATOM 1377 CA ASP A 82 16.311 -11.324 -2.054 1.00 43.53 C ATOM 1378 C ASP A 82 17.518 -12.014 -1.415 1.00 74.41 C ATOM 1379 O ASP A 82 17.529 -13.235 -1.260 1.00 55.42 O ATOM 1380 CB ASP A 82 15.524 -12.376 -2.837 1.00 34.12 C ATOM 1381 CG ASP A 82 14.599 -11.818 -3.921 1.00 31.23 C ATOM 1382 OD1 ASP A 82 13.797 -10.906 -3.669 1.00 22.30 O ATOM 1383 OD2 ASP A 82 14.727 -12.366 -5.081 1.00 72.44 O ATOM 0 H ASP A 82 16.485 -9.322 -2.651 1.00 51.10 H new ATOM 0 HA ASP A 82 15.665 -10.881 -1.296 1.00 43.53 H new ATOM 0 HB2 ASP A 82 16.230 -13.064 -3.302 1.00 34.12 H new ATOM 0 HB3 ASP A 82 14.927 -12.958 -2.135 1.00 34.12 H new ATOM 1389 N THR A 83 18.504 -11.204 -1.061 1.00 63.12 N ATOM 1390 CA THR A 83 19.713 -11.722 -0.442 1.00 74.13 C ATOM 1391 C THR A 83 20.093 -10.876 0.774 1.00 21.35 C ATOM 1392 O THR A 83 19.347 -9.983 1.172 1.00 31.00 O ATOM 1393 CB THR A 83 20.806 -11.775 -1.511 1.00 72.43 C ATOM 1394 OG1 THR A 83 21.628 -12.869 -1.113 1.00 11.12 O ATOM 1395 CG2 THR A 83 21.741 -10.566 -1.453 1.00 50.33 C ATOM 0 H THR A 83 18.491 -10.192 -1.191 1.00 63.12 H new ATOM 0 HA THR A 83 19.561 -12.732 -0.062 1.00 74.13 H new ATOM 0 HB THR A 83 20.346 -11.831 -2.498 1.00 72.43 H new ATOM 0 HG1 THR A 83 22.362 -12.976 -1.753 1.00 11.12 H new ATOM 0 HG21 THR A 83 22.498 -10.654 -2.233 1.00 50.33 H new ATOM 0 HG22 THR A 83 21.165 -9.653 -1.607 1.00 50.33 H new ATOM 0 HG23 THR A 83 22.227 -10.528 -0.478 1.00 50.33 H new ATOM 1403 N LEU A 84 21.254 -11.188 1.332 1.00 50.11 N ATOM 1404 CA LEU A 84 21.743 -10.468 2.495 1.00 12.34 C ATOM 1405 C LEU A 84 23.252 -10.256 2.362 1.00 41.55 C ATOM 1406 O LEU A 84 24.039 -11.133 2.712 1.00 4.13 O ATOM 1407 CB LEU A 84 21.335 -11.188 3.782 1.00 73.20 C ATOM 1408 CG LEU A 84 21.265 -10.323 5.042 1.00 20.00 C ATOM 1409 CD1 LEU A 84 20.138 -10.789 5.965 1.00 31.34 C ATOM 1410 CD2 LEU A 84 22.616 -10.289 5.759 1.00 42.30 C ATOM 0 H LEU A 84 21.870 -11.930 1.000 1.00 50.11 H new ATOM 0 HA LEU A 84 21.286 -9.480 2.550 1.00 12.34 H new ATOM 0 HB2 LEU A 84 20.358 -11.645 3.625 1.00 73.20 H new ATOM 0 HB3 LEU A 84 22.041 -11.999 3.961 1.00 73.20 H new ATOM 0 HG LEU A 84 21.034 -9.301 4.742 1.00 20.00 H new ATOM 0 HD11 LEU A 84 20.110 -10.157 6.853 1.00 31.34 H new ATOM 0 HD12 LEU A 84 19.185 -10.719 5.440 1.00 31.34 H new ATOM 0 HD13 LEU A 84 20.314 -11.823 6.261 1.00 31.34 H new ATOM 0 HD21 LEU A 84 22.539 -9.667 6.651 1.00 42.30 H new ATOM 0 HD22 LEU A 84 22.901 -11.301 6.045 1.00 42.30 H new ATOM 0 HD23 LEU A 84 23.372 -9.874 5.092 1.00 42.30 H new ATOM 1422 N PRO A 85 23.620 -9.055 1.840 1.00 54.43 N ATOM 1423 CA PRO A 85 25.020 -8.716 1.655 1.00 25.01 C ATOM 1424 C PRO A 85 25.683 -8.377 2.992 1.00 64.22 C ATOM 1425 O PRO A 85 25.003 -8.031 3.956 1.00 21.02 O ATOM 1426 CB PRO A 85 25.018 -7.550 0.681 1.00 42.44 C ATOM 1427 CG PRO A 85 23.610 -6.979 0.716 1.00 35.52 C ATOM 1428 CD PRO A 85 22.715 -7.991 1.413 1.00 33.31 C ATOM 0 HA PRO A 85 25.605 -9.546 1.259 1.00 25.01 H new ATOM 0 HB2 PRO A 85 25.752 -6.798 0.971 1.00 42.44 H new ATOM 0 HB3 PRO A 85 25.280 -7.880 -0.324 1.00 42.44 H new ATOM 0 HG2 PRO A 85 23.597 -6.028 1.248 1.00 35.52 H new ATOM 0 HG3 PRO A 85 23.252 -6.784 -0.295 1.00 35.52 H new ATOM 0 HD2 PRO A 85 22.200 -7.544 2.263 1.00 33.31 H new ATOM 0 HD3 PRO A 85 21.947 -8.371 0.739 1.00 33.31 H new ATOM 1436 N PRO A 86 27.039 -8.492 3.006 1.00 15.55 N ATOM 1437 CA PRO A 86 27.801 -8.201 4.209 1.00 61.13 C ATOM 1438 C PRO A 86 27.891 -6.693 4.450 1.00 1.11 C ATOM 1439 O PRO A 86 27.463 -5.900 3.613 1.00 71.01 O ATOM 1440 CB PRO A 86 29.157 -8.848 3.980 1.00 23.12 C ATOM 1441 CG PRO A 86 29.264 -9.074 2.481 1.00 61.12 C ATOM 1442 CD PRO A 86 27.878 -8.899 1.883 1.00 14.22 C ATOM 0 HA PRO A 86 27.332 -8.596 5.110 1.00 61.13 H new ATOM 0 HB2 PRO A 86 29.962 -8.205 4.336 1.00 23.12 H new ATOM 0 HB3 PRO A 86 29.237 -9.789 4.523 1.00 23.12 H new ATOM 0 HG2 PRO A 86 29.963 -8.366 2.037 1.00 61.12 H new ATOM 0 HG3 PRO A 86 29.647 -10.073 2.272 1.00 61.12 H new ATOM 0 HD2 PRO A 86 27.879 -8.145 1.096 1.00 14.22 H new ATOM 0 HD3 PRO A 86 27.519 -9.826 1.436 1.00 14.22 H new ATOM 1450 N THR A 87 28.451 -6.342 5.598 1.00 20.14 N ATOM 1451 CA THR A 87 28.603 -4.943 5.960 1.00 31.15 C ATOM 1452 C THR A 87 29.881 -4.369 5.347 1.00 64.23 C ATOM 1453 O THR A 87 30.023 -3.154 5.222 1.00 1.30 O ATOM 1454 CB THR A 87 28.563 -4.843 7.487 1.00 44.34 C ATOM 1455 OG1 THR A 87 29.106 -3.555 7.764 1.00 52.40 O ATOM 1456 CG2 THR A 87 29.537 -5.810 8.163 1.00 71.45 C ATOM 0 H THR A 87 28.805 -7.002 6.290 1.00 20.14 H new ATOM 0 HA THR A 87 27.789 -4.340 5.559 1.00 31.15 H new ATOM 0 HB THR A 87 27.550 -5.043 7.837 1.00 44.34 H new ATOM 0 HG1 THR A 87 29.116 -3.406 8.733 1.00 52.40 H new ATOM 0 HG21 THR A 87 29.469 -5.698 9.245 1.00 71.45 H new ATOM 0 HG22 THR A 87 29.284 -6.834 7.887 1.00 71.45 H new ATOM 0 HG23 THR A 87 30.554 -5.588 7.839 1.00 71.45 H new ATOM 1464 N ALA A 88 30.780 -5.271 4.979 1.00 31.05 N ATOM 1465 CA ALA A 88 32.042 -4.870 4.382 1.00 50.33 C ATOM 1466 C ALA A 88 31.817 -4.527 2.908 1.00 51.52 C ATOM 1467 O ALA A 88 32.468 -3.633 2.368 1.00 22.42 O ATOM 1468 CB ALA A 88 33.073 -5.984 4.570 1.00 44.00 C ATOM 0 H ALA A 88 30.659 -6.278 5.083 1.00 31.05 H new ATOM 0 HA ALA A 88 32.433 -3.978 4.873 1.00 50.33 H new ATOM 0 HB1 ALA A 88 34.020 -5.683 4.122 1.00 44.00 H new ATOM 0 HB2 ALA A 88 33.218 -6.170 5.634 1.00 44.00 H new ATOM 0 HB3 ALA A 88 32.717 -6.894 4.088 1.00 44.00 H new ATOM 1474 N ALA A 89 30.893 -5.254 2.298 1.00 35.13 N ATOM 1475 CA ALA A 89 30.573 -5.038 0.897 1.00 4.13 C ATOM 1476 C ALA A 89 30.550 -3.535 0.610 1.00 35.31 C ATOM 1477 O ALA A 89 30.059 -2.752 1.422 1.00 73.31 O ATOM 1478 CB ALA A 89 29.242 -5.716 0.566 1.00 24.02 C ATOM 0 H ALA A 89 30.355 -5.994 2.749 1.00 35.13 H new ATOM 0 HA ALA A 89 31.333 -5.485 0.256 1.00 4.13 H new ATOM 0 HB1 ALA A 89 29.002 -5.554 -0.485 1.00 24.02 H new ATOM 0 HB2 ALA A 89 29.321 -6.786 0.759 1.00 24.02 H new ATOM 0 HB3 ALA A 89 28.453 -5.292 1.188 1.00 24.02 H new ATOM 1484 N LEU A 90 31.086 -3.178 -0.547 1.00 51.14 N ATOM 1485 CA LEU A 90 31.132 -1.783 -0.952 1.00 24.12 C ATOM 1486 C LEU A 90 29.884 -1.453 -1.772 1.00 50.52 C ATOM 1487 O LEU A 90 29.458 -2.248 -2.608 1.00 51.45 O ATOM 1488 CB LEU A 90 32.444 -1.479 -1.679 1.00 21.34 C ATOM 1489 CG LEU A 90 33.046 -0.095 -1.426 1.00 71.41 C ATOM 1490 CD1 LEU A 90 33.245 0.151 0.071 1.00 64.24 C ATOM 1491 CD2 LEU A 90 34.343 0.091 -2.215 1.00 63.45 C ATOM 0 H LEU A 90 31.492 -3.830 -1.218 1.00 51.14 H new ATOM 0 HA LEU A 90 31.121 -1.132 -0.078 1.00 24.12 H new ATOM 0 HB2 LEU A 90 33.179 -2.231 -1.391 1.00 21.34 H new ATOM 0 HB3 LEU A 90 32.277 -1.590 -2.750 1.00 21.34 H new ATOM 0 HG LEU A 90 32.341 0.655 -1.784 1.00 71.41 H new ATOM 0 HD11 LEU A 90 33.674 1.141 0.223 1.00 64.24 H new ATOM 0 HD12 LEU A 90 32.283 0.090 0.581 1.00 64.24 H new ATOM 0 HD13 LEU A 90 33.920 -0.603 0.477 1.00 64.24 H new ATOM 0 HD21 LEU A 90 34.750 1.083 -2.017 1.00 63.45 H new ATOM 0 HD22 LEU A 90 35.066 -0.665 -1.910 1.00 63.45 H new ATOM 0 HD23 LEU A 90 34.138 -0.011 -3.281 1.00 63.45 H new ATOM 1503 N MET A 91 29.333 -0.278 -1.504 1.00 74.02 N ATOM 1504 CA MET A 91 28.141 0.167 -2.207 1.00 45.51 C ATOM 1505 C MET A 91 28.424 0.358 -3.699 1.00 1.13 C ATOM 1506 O MET A 91 27.499 0.506 -4.496 1.00 32.44 O ATOM 1507 CB MET A 91 27.658 1.489 -1.606 1.00 70.31 C ATOM 1508 CG MET A 91 27.443 1.358 -0.097 1.00 2.42 C ATOM 1509 SD MET A 91 26.340 -0.002 0.248 1.00 52.34 S ATOM 1510 CE MET A 91 24.932 0.485 -0.735 1.00 74.04 C ATOM 0 H MET A 91 29.690 0.379 -0.810 1.00 74.02 H new ATOM 0 HA MET A 91 27.370 -0.596 -2.097 1.00 45.51 H new ATOM 0 HB2 MET A 91 28.389 2.272 -1.806 1.00 70.31 H new ATOM 0 HB3 MET A 91 26.727 1.792 -2.085 1.00 70.31 H new ATOM 0 HG2 MET A 91 28.399 1.197 0.402 1.00 2.42 H new ATOM 0 HG3 MET A 91 27.027 2.284 0.301 1.00 2.42 H new ATOM 0 HE1 MET A 91 24.033 0.008 -0.344 1.00 74.04 H new ATOM 0 HE2 MET A 91 24.816 1.568 -0.693 1.00 74.04 H new ATOM 0 HE3 MET A 91 25.086 0.177 -1.769 1.00 74.04 H new ATOM 1520 N SER A 92 29.707 0.349 -4.031 1.00 74.22 N ATOM 1521 CA SER A 92 30.123 0.519 -5.413 1.00 73.20 C ATOM 1522 C SER A 92 30.189 -0.841 -6.111 1.00 34.32 C ATOM 1523 O SER A 92 29.755 -0.978 -7.254 1.00 30.44 O ATOM 1524 CB SER A 92 31.477 1.225 -5.497 1.00 64.33 C ATOM 1525 OG SER A 92 32.546 0.382 -5.075 1.00 71.41 O ATOM 0 H SER A 92 30.472 0.227 -3.367 1.00 74.22 H new ATOM 0 HA SER A 92 29.386 1.144 -5.918 1.00 73.20 H new ATOM 0 HB2 SER A 92 31.654 1.549 -6.523 1.00 64.33 H new ATOM 0 HB3 SER A 92 31.457 2.122 -4.878 1.00 64.33 H new ATOM 0 HG SER A 92 33.394 0.869 -5.145 1.00 71.41 H new ATOM 1531 N ALA A 93 30.734 -1.813 -5.394 1.00 5.53 N ATOM 1532 CA ALA A 93 30.863 -3.157 -5.930 1.00 32.04 C ATOM 1533 C ALA A 93 29.483 -3.817 -5.974 1.00 24.50 C ATOM 1534 O ALA A 93 29.175 -4.556 -6.908 1.00 34.22 O ATOM 1535 CB ALA A 93 31.862 -3.950 -5.085 1.00 61.22 C ATOM 0 H ALA A 93 31.091 -1.696 -4.446 1.00 5.53 H new ATOM 0 HA ALA A 93 31.249 -3.129 -6.949 1.00 32.04 H new ATOM 0 HB1 ALA A 93 31.959 -4.958 -5.487 1.00 61.22 H new ATOM 0 HB2 ALA A 93 32.833 -3.455 -5.109 1.00 61.22 H new ATOM 0 HB3 ALA A 93 31.507 -4.002 -4.056 1.00 61.22 H new ATOM 1541 N ILE A 94 28.691 -3.528 -4.953 1.00 13.53 N ATOM 1542 CA ILE A 94 27.351 -4.084 -4.863 1.00 64.13 C ATOM 1543 C ILE A 94 26.489 -3.509 -5.988 1.00 53.14 C ATOM 1544 O ILE A 94 25.995 -4.249 -6.838 1.00 24.32 O ATOM 1545 CB ILE A 94 26.770 -3.859 -3.466 1.00 71.21 C ATOM 1546 CG1 ILE A 94 27.582 -4.607 -2.407 1.00 64.32 C ATOM 1547 CG2 ILE A 94 25.287 -4.235 -3.422 1.00 44.13 C ATOM 1548 CD1 ILE A 94 27.258 -6.103 -2.423 1.00 1.54 C ATOM 0 H ILE A 94 28.951 -2.916 -4.180 1.00 13.53 H new ATOM 0 HA ILE A 94 27.377 -5.165 -5.001 1.00 64.13 H new ATOM 0 HB ILE A 94 26.840 -2.796 -3.234 1.00 71.21 H new ATOM 0 HG12 ILE A 94 28.647 -4.460 -2.589 1.00 64.32 H new ATOM 0 HG13 ILE A 94 27.367 -4.195 -1.421 1.00 64.32 H new ATOM 0 HG21 ILE A 94 24.898 -4.066 -2.418 1.00 44.13 H new ATOM 0 HG22 ILE A 94 24.735 -3.621 -4.133 1.00 44.13 H new ATOM 0 HG23 ILE A 94 25.170 -5.287 -3.684 1.00 44.13 H new ATOM 0 HD11 ILE A 94 27.849 -6.611 -1.661 1.00 1.54 H new ATOM 0 HD12 ILE A 94 26.198 -6.248 -2.217 1.00 1.54 H new ATOM 0 HD13 ILE A 94 27.497 -6.517 -3.403 1.00 1.54 H new ATOM 1560 N TYR A 95 26.333 -2.194 -5.958 1.00 11.51 N ATOM 1561 CA TYR A 95 25.538 -1.510 -6.965 1.00 23.45 C ATOM 1562 C TYR A 95 26.058 -1.812 -8.371 1.00 64.24 C ATOM 1563 O TYR A 95 25.307 -1.743 -9.343 1.00 21.41 O ATOM 1564 CB TYR A 95 25.698 -0.015 -6.685 1.00 2.25 C ATOM 1565 CG TYR A 95 25.141 0.888 -7.787 1.00 70.31 C ATOM 1566 CD1 TYR A 95 25.773 0.951 -9.012 1.00 70.13 C ATOM 1567 CD2 TYR A 95 24.006 1.639 -7.557 1.00 22.35 C ATOM 1568 CE1 TYR A 95 25.249 1.800 -10.050 1.00 55.31 C ATOM 1569 CE2 TYR A 95 23.482 2.488 -8.594 1.00 53.23 C ATOM 1570 CZ TYR A 95 24.129 2.527 -9.790 1.00 12.12 C ATOM 1571 OH TYR A 95 23.634 3.329 -10.770 1.00 15.41 O ATOM 0 H TYR A 95 26.744 -1.583 -5.252 1.00 11.51 H new ATOM 0 HA TYR A 95 24.498 -1.835 -6.919 1.00 23.45 H new ATOM 0 HB2 TYR A 95 25.198 0.224 -5.746 1.00 2.25 H new ATOM 0 HB3 TYR A 95 26.756 0.207 -6.548 1.00 2.25 H new ATOM 0 HD1 TYR A 95 26.661 0.363 -9.192 1.00 70.13 H new ATOM 0 HD2 TYR A 95 23.511 1.589 -6.598 1.00 22.35 H new ATOM 0 HE1 TYR A 95 25.734 1.858 -11.013 1.00 55.31 H new ATOM 0 HE2 TYR A 95 22.595 3.081 -8.427 1.00 53.23 H new ATOM 0 HH TYR A 95 22.863 2.894 -11.191 1.00 15.41 H new ATOM 1581 N GLN A 96 27.340 -2.140 -8.436 1.00 25.30 N ATOM 1582 CA GLN A 96 27.970 -2.453 -9.708 1.00 11.12 C ATOM 1583 C GLN A 96 27.324 -3.693 -10.329 1.00 52.32 C ATOM 1584 O GLN A 96 27.089 -3.736 -11.536 1.00 1.01 O ATOM 1585 CB GLN A 96 29.478 -2.646 -9.540 1.00 62.32 C ATOM 1586 CG GLN A 96 30.240 -1.376 -9.922 1.00 51.53 C ATOM 1587 CD GLN A 96 31.595 -1.315 -9.214 1.00 52.42 C ATOM 1588 OE1 GLN A 96 31.910 -0.376 -8.501 1.00 31.32 O ATOM 1589 NE2 GLN A 96 32.376 -2.365 -9.450 1.00 42.32 N ATOM 0 H GLN A 96 27.960 -2.196 -7.628 1.00 25.30 H new ATOM 0 HA GLN A 96 27.818 -1.611 -10.384 1.00 11.12 H new ATOM 0 HB2 GLN A 96 29.701 -2.911 -8.507 1.00 62.32 H new ATOM 0 HB3 GLN A 96 29.813 -3.476 -10.162 1.00 62.32 H new ATOM 0 HG2 GLN A 96 30.388 -1.348 -11.001 1.00 51.53 H new ATOM 0 HG3 GLN A 96 29.648 -0.499 -9.658 1.00 51.53 H new ATOM 0 HE21 GLN A 96 32.050 -3.117 -10.057 1.00 42.32 H new ATOM 0 HE22 GLN A 96 33.301 -2.419 -9.024 1.00 42.32 H new ATOM 1598 N GLU A 97 27.055 -4.671 -9.477 1.00 14.31 N ATOM 1599 CA GLU A 97 26.440 -5.908 -9.927 1.00 62.03 C ATOM 1600 C GLU A 97 24.974 -5.962 -9.492 1.00 24.11 C ATOM 1601 O GLU A 97 24.271 -6.927 -9.787 1.00 53.33 O ATOM 1602 CB GLU A 97 27.211 -7.123 -9.409 1.00 23.52 C ATOM 1603 CG GLU A 97 28.458 -7.384 -10.256 1.00 70.55 C ATOM 1604 CD GLU A 97 28.962 -8.816 -10.064 1.00 23.14 C ATOM 1605 OE1 GLU A 97 29.897 -9.044 -9.282 1.00 4.12 O ATOM 1606 OE2 GLU A 97 28.346 -9.710 -10.760 1.00 53.21 O ATOM 0 H GLU A 97 27.252 -4.632 -8.477 1.00 14.31 H new ATOM 0 HA GLU A 97 26.476 -5.933 -11.016 1.00 62.03 H new ATOM 0 HB2 GLU A 97 27.500 -6.959 -8.371 1.00 23.52 H new ATOM 0 HB3 GLU A 97 26.566 -8.001 -9.425 1.00 23.52 H new ATOM 0 HG2 GLU A 97 28.230 -7.213 -11.308 1.00 70.55 H new ATOM 0 HG3 GLU A 97 29.242 -6.679 -9.982 1.00 70.55 H new ATOM 1614 N HIS A 98 24.558 -4.914 -8.797 1.00 12.02 N ATOM 1615 CA HIS A 98 23.188 -4.830 -8.318 1.00 5.02 C ATOM 1616 C HIS A 98 22.465 -3.684 -9.029 1.00 25.31 C ATOM 1617 O HIS A 98 21.281 -3.451 -8.792 1.00 42.13 O ATOM 1618 CB HIS A 98 23.153 -4.698 -6.794 1.00 21.31 C ATOM 1619 CG HIS A 98 23.497 -5.972 -6.059 1.00 61.14 C ATOM 1620 ND1 HIS A 98 22.620 -7.038 -5.955 1.00 41.42 N ATOM 1621 CD2 HIS A 98 24.630 -6.340 -5.395 1.00 44.25 C ATOM 1622 CE1 HIS A 98 23.209 -7.997 -5.257 1.00 60.42 C ATOM 1623 NE2 HIS A 98 24.455 -7.563 -4.911 1.00 13.23 N ATOM 0 H HIS A 98 25.145 -4.116 -8.554 1.00 12.02 H new ATOM 0 HA HIS A 98 22.658 -5.752 -8.557 1.00 5.02 H new ATOM 0 HB2 HIS A 98 23.850 -3.916 -6.491 1.00 21.31 H new ATOM 0 HB3 HIS A 98 22.158 -4.373 -6.490 1.00 21.31 H new ATOM 0 HD2 HIS A 98 25.519 -5.738 -5.282 1.00 44.25 H new ATOM 0 HE1 HIS A 98 22.778 -8.955 -5.006 1.00 60.42 H new ATOM 0 HE2 HIS A 98 25.139 -8.091 -4.370 1.00 13.23 H new ATOM 1631 N LYS A 99 23.209 -3.000 -9.886 1.00 54.10 N ATOM 1632 CA LYS A 99 22.653 -1.884 -10.633 1.00 64.23 C ATOM 1633 C LYS A 99 21.514 -2.388 -11.522 1.00 11.44 C ATOM 1634 O LYS A 99 21.626 -3.444 -12.141 1.00 74.14 O ATOM 1635 CB LYS A 99 23.756 -1.153 -11.402 1.00 54.13 C ATOM 1636 CG LYS A 99 23.186 -0.438 -12.629 1.00 42.13 C ATOM 1637 CD LYS A 99 23.215 -1.350 -13.858 1.00 4.43 C ATOM 1638 CE LYS A 99 24.627 -1.882 -14.112 1.00 30.44 C ATOM 1639 NZ LYS A 99 24.794 -2.249 -15.536 1.00 4.42 N ATOM 0 H LYS A 99 24.191 -3.197 -10.080 1.00 54.10 H new ATOM 0 HA LYS A 99 22.225 -1.146 -9.954 1.00 64.23 H new ATOM 0 HB2 LYS A 99 24.242 -0.429 -10.748 1.00 54.13 H new ATOM 0 HB3 LYS A 99 24.520 -1.865 -11.714 1.00 54.13 H new ATOM 0 HG2 LYS A 99 22.161 -0.125 -12.428 1.00 42.13 H new ATOM 0 HG3 LYS A 99 23.762 0.465 -12.828 1.00 42.13 H new ATOM 0 HD2 LYS A 99 22.529 -2.184 -13.713 1.00 4.43 H new ATOM 0 HD3 LYS A 99 22.867 -0.800 -14.732 1.00 4.43 H new ATOM 0 HE2 LYS A 99 25.362 -1.126 -13.837 1.00 30.44 H new ATOM 0 HE3 LYS A 99 24.813 -2.752 -13.482 1.00 30.44 H new ATOM 0 HZ1 LYS A 99 25.758 -2.608 -15.691 1.00 4.42 H new ATOM 0 HZ2 LYS A 99 24.105 -2.986 -15.788 1.00 4.42 H new ATOM 0 HZ3 LYS A 99 24.637 -1.411 -16.131 1.00 4.42 H new ATOM 1652 N ASP A 100 20.444 -1.607 -11.555 1.00 74.51 N ATOM 1653 CA ASP A 100 19.285 -1.961 -12.357 1.00 53.12 C ATOM 1654 C ASP A 100 19.375 -1.259 -13.713 1.00 41.44 C ATOM 1655 O ASP A 100 20.330 -0.529 -13.976 1.00 14.50 O ATOM 1656 CB ASP A 100 17.988 -1.514 -11.679 1.00 3.12 C ATOM 1657 CG ASP A 100 17.420 -2.500 -10.657 1.00 33.33 C ATOM 1658 OD1 ASP A 100 18.103 -2.892 -9.699 1.00 12.02 O ATOM 1659 OD2 ASP A 100 16.205 -2.874 -10.877 1.00 12.20 O ATOM 0 H ASP A 100 20.355 -0.731 -11.040 1.00 74.51 H new ATOM 0 HA ASP A 100 19.275 -3.045 -12.475 1.00 53.12 H new ATOM 0 HB2 ASP A 100 18.166 -0.560 -11.182 1.00 3.12 H new ATOM 0 HB3 ASP A 100 17.236 -1.337 -12.448 1.00 3.12 H new ATOM 1665 N LYS A 101 18.369 -1.504 -14.539 1.00 73.24 N ATOM 1666 CA LYS A 101 18.323 -0.904 -15.862 1.00 74.41 C ATOM 1667 C LYS A 101 18.121 0.606 -15.726 1.00 1.14 C ATOM 1668 O LYS A 101 18.598 1.377 -16.557 1.00 12.20 O ATOM 1669 CB LYS A 101 17.262 -1.591 -16.725 1.00 10.10 C ATOM 1670 CG LYS A 101 17.799 -2.893 -17.322 1.00 25.34 C ATOM 1671 CD LYS A 101 17.226 -3.134 -18.720 1.00 11.25 C ATOM 1672 CE LYS A 101 18.148 -2.558 -19.797 1.00 34.33 C ATOM 1673 NZ LYS A 101 17.578 -2.789 -21.143 1.00 42.12 N ATOM 0 H LYS A 101 17.579 -2.110 -14.318 1.00 73.24 H new ATOM 0 HA LYS A 101 19.270 -1.054 -16.381 1.00 74.41 H new ATOM 0 HB2 LYS A 101 16.378 -1.801 -16.123 1.00 10.10 H new ATOM 0 HB3 LYS A 101 16.950 -0.921 -17.526 1.00 10.10 H new ATOM 0 HG2 LYS A 101 18.887 -2.852 -17.373 1.00 25.34 H new ATOM 0 HG3 LYS A 101 17.542 -3.729 -16.671 1.00 25.34 H new ATOM 0 HD2 LYS A 101 17.094 -4.204 -18.883 1.00 11.25 H new ATOM 0 HD3 LYS A 101 16.240 -2.676 -18.797 1.00 11.25 H new ATOM 0 HE2 LYS A 101 18.286 -1.489 -19.632 1.00 34.33 H new ATOM 0 HE3 LYS A 101 19.132 -3.021 -19.728 1.00 34.33 H new ATOM 0 HZ1 LYS A 101 18.215 -2.392 -21.863 1.00 42.12 H new ATOM 0 HZ2 LYS A 101 17.468 -3.811 -21.303 1.00 42.12 H new ATOM 0 HZ3 LYS A 101 16.649 -2.326 -21.211 1.00 42.12 H new ATOM 1686 N ASP A 102 17.414 0.984 -14.671 1.00 31.43 N ATOM 1687 CA ASP A 102 17.143 2.388 -14.415 1.00 4.13 C ATOM 1688 C ASP A 102 18.407 3.055 -13.867 1.00 70.22 C ATOM 1689 O ASP A 102 18.601 4.258 -14.036 1.00 23.31 O ATOM 1690 CB ASP A 102 16.033 2.555 -13.376 1.00 31.44 C ATOM 1691 CG ASP A 102 16.098 1.580 -12.198 1.00 1.32 C ATOM 1692 OD1 ASP A 102 17.007 1.654 -11.357 1.00 52.23 O ATOM 1693 OD2 ASP A 102 15.152 0.704 -12.162 1.00 14.53 O ATOM 0 H ASP A 102 17.020 0.342 -13.983 1.00 31.43 H new ATOM 0 HA ASP A 102 16.831 2.847 -15.353 1.00 4.13 H new ATOM 0 HB2 ASP A 102 16.069 3.573 -12.988 1.00 31.44 H new ATOM 0 HB3 ASP A 102 15.070 2.437 -13.873 1.00 31.44 H new ATOM 1699 N GLY A 103 19.233 2.244 -13.223 1.00 4.33 N ATOM 1700 CA GLY A 103 20.473 2.741 -12.649 1.00 71.44 C ATOM 1701 C GLY A 103 20.441 2.660 -11.122 1.00 24.12 C ATOM 1702 O GLY A 103 21.382 2.163 -10.503 1.00 53.44 O ATOM 0 H GLY A 103 19.069 1.247 -13.086 1.00 4.33 H new ATOM 0 HA2 GLY A 103 21.313 2.160 -13.030 1.00 71.44 H new ATOM 0 HA3 GLY A 103 20.633 3.774 -12.959 1.00 71.44 H new ATOM 1706 N PHE A 104 19.350 3.156 -10.557 1.00 61.53 N ATOM 1707 CA PHE A 104 19.184 3.146 -9.114 1.00 32.32 C ATOM 1708 C PHE A 104 19.445 1.751 -8.541 1.00 54.02 C ATOM 1709 O PHE A 104 19.706 0.809 -9.287 1.00 71.34 O ATOM 1710 CB PHE A 104 17.733 3.538 -8.828 1.00 51.21 C ATOM 1711 CG PHE A 104 17.541 5.022 -8.507 1.00 63.11 C ATOM 1712 CD1 PHE A 104 17.977 5.523 -7.320 1.00 34.51 C ATOM 1713 CD2 PHE A 104 16.936 5.840 -9.409 1.00 52.11 C ATOM 1714 CE1 PHE A 104 17.799 6.900 -7.022 1.00 71.51 C ATOM 1715 CE2 PHE A 104 16.758 7.217 -9.111 1.00 40.02 C ATOM 1716 CZ PHE A 104 17.193 7.718 -7.924 1.00 64.31 C ATOM 0 H PHE A 104 18.572 3.567 -11.073 1.00 61.53 H new ATOM 0 HA PHE A 104 19.891 3.837 -8.654 1.00 32.32 H new ATOM 0 HB2 PHE A 104 17.121 3.282 -9.693 1.00 51.21 H new ATOM 0 HB3 PHE A 104 17.366 2.945 -7.990 1.00 51.21 H new ATOM 0 HD1 PHE A 104 18.459 4.873 -6.604 1.00 34.51 H new ATOM 0 HD2 PHE A 104 16.591 5.443 -10.352 1.00 52.11 H new ATOM 0 HE1 PHE A 104 18.145 7.298 -6.079 1.00 71.51 H new ATOM 0 HE2 PHE A 104 16.277 7.867 -9.827 1.00 40.02 H new ATOM 0 HZ PHE A 104 17.057 8.765 -7.698 1.00 64.31 H new ATOM 1726 N LEU A 105 19.365 1.664 -7.222 1.00 35.54 N ATOM 1727 CA LEU A 105 19.589 0.400 -6.540 1.00 73.24 C ATOM 1728 C LEU A 105 18.339 0.029 -5.739 1.00 4.04 C ATOM 1729 O LEU A 105 17.862 0.819 -4.926 1.00 3.05 O ATOM 1730 CB LEU A 105 20.864 0.464 -5.697 1.00 52.34 C ATOM 1731 CG LEU A 105 21.620 -0.855 -5.522 1.00 54.53 C ATOM 1732 CD1 LEU A 105 21.814 -1.558 -6.867 1.00 43.51 C ATOM 1733 CD2 LEU A 105 22.947 -0.633 -4.794 1.00 33.43 C ATOM 0 H LEU A 105 19.148 2.448 -6.607 1.00 35.54 H new ATOM 0 HA LEU A 105 19.753 -0.399 -7.263 1.00 73.24 H new ATOM 0 HB2 LEU A 105 21.539 1.189 -6.150 1.00 52.34 H new ATOM 0 HB3 LEU A 105 20.604 0.845 -4.709 1.00 52.34 H new ATOM 0 HG LEU A 105 21.017 -1.515 -4.898 1.00 54.53 H new ATOM 0 HD11 LEU A 105 22.354 -2.493 -6.715 1.00 43.51 H new ATOM 0 HD12 LEU A 105 20.841 -1.769 -7.311 1.00 43.51 H new ATOM 0 HD13 LEU A 105 22.385 -0.914 -7.535 1.00 43.51 H new ATOM 0 HD21 LEU A 105 23.465 -1.586 -4.682 1.00 33.43 H new ATOM 0 HD22 LEU A 105 23.568 0.052 -5.371 1.00 33.43 H new ATOM 0 HD23 LEU A 105 22.755 -0.207 -3.809 1.00 33.43 H new ATOM 1745 N TYR A 106 17.845 -1.173 -5.996 1.00 24.13 N ATOM 1746 CA TYR A 106 16.661 -1.658 -5.308 1.00 71.31 C ATOM 1747 C TYR A 106 17.040 -2.580 -4.147 1.00 73.22 C ATOM 1748 O TYR A 106 17.330 -3.758 -4.354 1.00 14.50 O ATOM 1749 CB TYR A 106 15.871 -2.461 -6.344 1.00 11.51 C ATOM 1750 CG TYR A 106 15.128 -1.597 -7.365 1.00 43.05 C ATOM 1751 CD1 TYR A 106 15.837 -0.875 -8.304 1.00 4.20 C ATOM 1752 CD2 TYR A 106 13.750 -1.540 -7.349 1.00 34.03 C ATOM 1753 CE1 TYR A 106 15.139 -0.062 -9.266 1.00 35.05 C ATOM 1754 CE2 TYR A 106 13.051 -0.727 -8.310 1.00 73.32 C ATOM 1755 CZ TYR A 106 13.780 -0.028 -9.221 1.00 73.42 C ATOM 1756 OH TYR A 106 13.120 0.739 -10.129 1.00 54.23 O ATOM 0 H TYR A 106 18.243 -1.826 -6.671 1.00 24.13 H new ATOM 0 HA TYR A 106 16.088 -0.827 -4.897 1.00 71.31 H new ATOM 0 HB2 TYR A 106 16.555 -3.124 -6.874 1.00 11.51 H new ATOM 0 HB3 TYR A 106 15.151 -3.094 -5.826 1.00 11.51 H new ATOM 0 HD1 TYR A 106 16.916 -0.920 -8.317 1.00 4.20 H new ATOM 0 HD2 TYR A 106 13.195 -2.106 -6.615 1.00 34.03 H new ATOM 0 HE1 TYR A 106 15.682 0.507 -10.006 1.00 35.05 H new ATOM 0 HE2 TYR A 106 11.972 -0.673 -8.308 1.00 73.32 H new ATOM 0 HH TYR A 106 13.657 0.814 -10.946 1.00 54.23 H new ATOM 1766 N VAL A 107 17.025 -2.010 -2.951 1.00 41.25 N ATOM 1767 CA VAL A 107 17.363 -2.766 -1.758 1.00 5.45 C ATOM 1768 C VAL A 107 16.196 -2.701 -0.771 1.00 22.35 C ATOM 1769 O VAL A 107 15.314 -1.854 -0.901 1.00 60.13 O ATOM 1770 CB VAL A 107 18.676 -2.249 -1.165 1.00 42.35 C ATOM 1771 CG1 VAL A 107 18.839 -0.749 -1.420 1.00 2.14 C ATOM 1772 CG2 VAL A 107 18.766 -2.565 0.329 1.00 54.41 C ATOM 0 H VAL A 107 16.784 -1.033 -2.783 1.00 41.25 H new ATOM 0 HA VAL A 107 17.524 -3.816 -2.004 1.00 5.45 H new ATOM 0 HB VAL A 107 19.496 -2.765 -1.665 1.00 42.35 H new ATOM 0 HG11 VAL A 107 19.780 -0.407 -0.989 1.00 2.14 H new ATOM 0 HG12 VAL A 107 18.842 -0.561 -2.494 1.00 2.14 H new ATOM 0 HG13 VAL A 107 18.011 -0.210 -0.960 1.00 2.14 H new ATOM 0 HG21 VAL A 107 19.709 -2.187 0.725 1.00 54.41 H new ATOM 0 HG22 VAL A 107 17.936 -2.090 0.852 1.00 54.41 H new ATOM 0 HG23 VAL A 107 18.718 -3.644 0.476 1.00 54.41 H new ATOM 1782 N THR A 108 16.229 -3.608 0.195 1.00 12.21 N ATOM 1783 CA THR A 108 15.184 -3.665 1.204 1.00 45.32 C ATOM 1784 C THR A 108 15.746 -4.197 2.523 1.00 22.45 C ATOM 1785 O THR A 108 16.587 -5.095 2.527 1.00 33.40 O ATOM 1786 CB THR A 108 14.036 -4.508 0.648 1.00 74.42 C ATOM 1787 OG1 THR A 108 13.528 -3.733 -0.435 1.00 22.40 O ATOM 1788 CG2 THR A 108 12.858 -4.607 1.620 1.00 52.25 C ATOM 0 H THR A 108 16.962 -4.309 0.300 1.00 12.21 H new ATOM 0 HA THR A 108 14.796 -2.671 1.430 1.00 45.32 H new ATOM 0 HB THR A 108 14.400 -5.509 0.416 1.00 74.42 H new ATOM 0 HG1 THR A 108 13.956 -2.851 -0.435 1.00 22.40 H new ATOM 0 HG21 THR A 108 12.070 -5.216 1.176 1.00 52.25 H new ATOM 0 HG22 THR A 108 13.192 -5.067 2.550 1.00 52.25 H new ATOM 0 HG23 THR A 108 12.472 -3.609 1.826 1.00 52.25 H new ATOM 1796 N TYR A 109 15.259 -3.621 3.612 1.00 20.15 N ATOM 1797 CA TYR A 109 15.702 -4.027 4.936 1.00 51.33 C ATOM 1798 C TYR A 109 14.509 -4.308 5.851 1.00 14.31 C ATOM 1799 O TYR A 109 13.367 -4.022 5.494 1.00 73.23 O ATOM 1800 CB TYR A 109 16.492 -2.843 5.497 1.00 63.01 C ATOM 1801 CG TYR A 109 15.664 -1.568 5.671 1.00 22.43 C ATOM 1802 CD1 TYR A 109 15.260 -0.851 4.564 1.00 72.23 C ATOM 1803 CD2 TYR A 109 15.321 -1.136 6.936 1.00 4.24 C ATOM 1804 CE1 TYR A 109 14.480 0.348 4.728 1.00 44.41 C ATOM 1805 CE2 TYR A 109 14.542 0.064 7.101 1.00 70.25 C ATOM 1806 CZ TYR A 109 14.160 0.747 5.988 1.00 30.32 C ATOM 1807 OH TYR A 109 13.424 1.880 6.143 1.00 31.32 O ATOM 0 H TYR A 109 14.562 -2.876 3.605 1.00 20.15 H new ATOM 0 HA TYR A 109 16.298 -4.938 4.879 1.00 51.33 H new ATOM 0 HB2 TYR A 109 16.913 -3.125 6.462 1.00 63.01 H new ATOM 0 HB3 TYR A 109 17.330 -2.632 4.833 1.00 63.01 H new ATOM 0 HD1 TYR A 109 15.529 -1.189 3.574 1.00 72.23 H new ATOM 0 HD2 TYR A 109 15.637 -1.698 7.802 1.00 4.24 H new ATOM 0 HE1 TYR A 109 14.156 0.918 3.870 1.00 44.41 H new ATOM 0 HE2 TYR A 109 14.267 0.414 8.085 1.00 70.25 H new ATOM 0 HH TYR A 109 13.270 2.042 7.097 1.00 31.32 H new ATOM 1817 N SER A 110 14.814 -4.864 7.014 1.00 31.11 N ATOM 1818 CA SER A 110 13.781 -5.187 7.983 1.00 13.15 C ATOM 1819 C SER A 110 14.411 -5.445 9.354 1.00 71.25 C ATOM 1820 O SER A 110 15.631 -5.541 9.471 1.00 25.52 O ATOM 1821 CB SER A 110 12.966 -6.402 7.536 1.00 24.52 C ATOM 1822 OG SER A 110 11.986 -6.773 8.502 1.00 24.41 O ATOM 0 H SER A 110 15.762 -5.099 7.307 1.00 31.11 H new ATOM 0 HA SER A 110 13.103 -4.336 8.056 1.00 13.15 H new ATOM 0 HB2 SER A 110 12.475 -6.180 6.588 1.00 24.52 H new ATOM 0 HB3 SER A 110 13.637 -7.243 7.359 1.00 24.52 H new ATOM 0 HG SER A 110 11.486 -7.551 8.179 1.00 24.41 H new ATOM 1828 N GLY A 111 13.550 -5.550 10.355 1.00 11.00 N ATOM 1829 CA GLY A 111 14.007 -5.795 11.712 1.00 31.24 C ATOM 1830 C GLY A 111 14.359 -7.270 11.914 1.00 32.54 C ATOM 1831 O GLY A 111 14.713 -7.682 13.018 1.00 72.40 O ATOM 0 H GLY A 111 12.538 -5.470 10.253 1.00 11.00 H new ATOM 0 HA2 GLY A 111 14.880 -5.177 11.923 1.00 31.24 H new ATOM 0 HA3 GLY A 111 13.231 -5.502 12.419 1.00 31.24 H new ATOM 1835 N GLU A 112 14.249 -8.026 10.831 1.00 1.43 N ATOM 1836 CA GLU A 112 14.551 -9.446 10.876 1.00 63.23 C ATOM 1837 C GLU A 112 15.646 -9.788 9.863 1.00 4.12 C ATOM 1838 O GLU A 112 15.841 -9.065 8.887 1.00 24.40 O ATOM 1839 CB GLU A 112 13.294 -10.282 10.627 1.00 64.23 C ATOM 1840 CG GLU A 112 13.495 -11.726 11.092 1.00 41.04 C ATOM 1841 CD GLU A 112 12.166 -12.356 11.514 1.00 41.21 C ATOM 1842 OE1 GLU A 112 12.029 -12.801 12.663 1.00 75.10 O ATOM 1843 OE2 GLU A 112 11.256 -12.372 10.600 1.00 32.10 O ATOM 0 H GLU A 112 13.955 -7.681 9.917 1.00 1.43 H new ATOM 0 HA GLU A 112 14.917 -9.688 11.874 1.00 63.23 H new ATOM 0 HB2 GLU A 112 12.449 -9.840 11.155 1.00 64.23 H new ATOM 0 HB3 GLU A 112 13.049 -10.269 9.565 1.00 64.23 H new ATOM 0 HG2 GLU A 112 13.940 -12.312 10.288 1.00 41.04 H new ATOM 0 HG3 GLU A 112 14.194 -11.749 11.928 1.00 41.04 H new ATOM 1851 N ASN A 113 16.332 -10.889 10.131 1.00 63.44 N ATOM 1852 CA ASN A 113 17.403 -11.336 9.255 1.00 13.51 C ATOM 1853 C ASN A 113 16.834 -12.298 8.211 1.00 53.03 C ATOM 1854 O ASN A 113 17.409 -13.355 7.957 1.00 34.43 O ATOM 1855 CB ASN A 113 18.485 -12.078 10.042 1.00 53.30 C ATOM 1856 CG ASN A 113 19.755 -12.242 9.206 1.00 62.44 C ATOM 1857 OD1 ASN A 113 19.749 -12.807 8.124 1.00 32.43 O ATOM 1858 ND2 ASN A 113 20.843 -11.719 9.765 1.00 74.12 N ATOM 0 H ASN A 113 16.168 -11.485 10.942 1.00 63.44 H new ATOM 0 HA ASN A 113 17.840 -10.457 8.782 1.00 13.51 H new ATOM 0 HB2 ASN A 113 18.715 -11.530 10.956 1.00 53.30 H new ATOM 0 HB3 ASN A 113 18.114 -13.058 10.342 1.00 53.30 H new ATOM 0 HD21 ASN A 113 21.741 -11.778 9.285 1.00 74.12 H new ATOM 0 HD22 ASN A 113 20.779 -11.259 10.673 1.00 74.12 H new ATOM 1865 N THR A 114 15.711 -11.897 7.633 1.00 71.03 N ATOM 1866 CA THR A 114 15.058 -12.711 6.621 1.00 13.25 C ATOM 1867 C THR A 114 14.937 -11.935 5.308 1.00 4.35 C ATOM 1868 O THR A 114 14.919 -10.705 5.310 1.00 50.24 O ATOM 1869 CB THR A 114 13.710 -13.170 7.182 1.00 40.52 C ATOM 1870 OG1 THR A 114 13.218 -12.029 7.879 1.00 14.25 O ATOM 1871 CG2 THR A 114 13.860 -14.235 8.269 1.00 22.24 C ATOM 0 H THR A 114 15.237 -11.019 7.846 1.00 71.03 H new ATOM 0 HA THR A 114 15.648 -13.597 6.385 1.00 13.25 H new ATOM 0 HB THR A 114 13.095 -13.563 6.372 1.00 40.52 H new ATOM 0 HG1 THR A 114 12.346 -12.238 8.273 1.00 14.25 H new ATOM 0 HG21 THR A 114 12.874 -14.525 8.633 1.00 22.24 H new ATOM 0 HG22 THR A 114 14.366 -15.108 7.856 1.00 22.24 H new ATOM 0 HG23 THR A 114 14.447 -13.832 9.094 1.00 22.24 H new ATOM 1879 N PHE A 115 14.859 -12.685 4.220 1.00 73.54 N ATOM 1880 CA PHE A 115 14.741 -12.083 2.902 1.00 33.54 C ATOM 1881 C PHE A 115 13.288 -11.710 2.598 1.00 24.42 C ATOM 1882 O PHE A 115 12.976 -11.266 1.495 1.00 41.04 O ATOM 1883 CB PHE A 115 15.209 -13.130 1.889 1.00 2.50 C ATOM 1884 CG PHE A 115 16.578 -13.735 2.208 1.00 75.54 C ATOM 1885 CD1 PHE A 115 17.713 -13.071 1.862 1.00 13.31 C ATOM 1886 CD2 PHE A 115 16.659 -14.939 2.836 1.00 12.32 C ATOM 1887 CE1 PHE A 115 18.983 -13.633 2.158 1.00 75.14 C ATOM 1888 CE2 PHE A 115 17.929 -15.501 3.132 1.00 73.13 C ATOM 1889 CZ PHE A 115 19.064 -14.836 2.786 1.00 32.42 C ATOM 0 H PHE A 115 14.875 -13.705 4.223 1.00 73.54 H new ATOM 0 HA PHE A 115 15.339 -11.173 2.853 1.00 33.54 H new ATOM 0 HB2 PHE A 115 14.471 -13.931 1.842 1.00 2.50 H new ATOM 0 HB3 PHE A 115 15.246 -12.673 0.900 1.00 2.50 H new ATOM 0 HD1 PHE A 115 17.649 -12.116 1.362 1.00 13.31 H new ATOM 0 HD2 PHE A 115 15.758 -15.467 3.109 1.00 12.32 H new ATOM 0 HE1 PHE A 115 19.884 -13.105 1.884 1.00 75.14 H new ATOM 0 HE2 PHE A 115 17.994 -16.456 3.632 1.00 73.13 H new ATOM 0 HZ PHE A 115 20.030 -15.264 3.010 1.00 32.42 H new ATOM 1899 N GLY A 116 12.439 -11.905 3.597 1.00 44.15 N ATOM 1900 CA GLY A 116 11.028 -11.594 3.450 1.00 75.54 C ATOM 1901 C GLY A 116 10.413 -11.186 4.790 1.00 24.11 C ATOM 1902 O GLY A 116 11.068 -10.538 5.605 1.00 23.43 O ATOM 0 H GLY A 116 12.702 -12.274 4.511 1.00 44.15 H new ATOM 0 HA2 GLY A 116 10.903 -10.787 2.728 1.00 75.54 H new ATOM 0 HA3 GLY A 116 10.500 -12.461 3.053 1.00 75.54 H new TER 1906 GLY A 116