USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 744 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 82 SER OG : rot 180:sc= -0.874 USER MOD Set 1.2: A 87 HIS : no HE2:sc= -6.95! C(o=-7.8!,f=-8.6!) USER MOD Set 2.1: A 40 SER OG : rot -111:sc= 0.971 USER MOD Set 2.2: A 45 SER OG : rot -56:sc= 1.41 USER MOD Set 3.1: A 7 LYS NZ :NH3+ -134:sc= 0.731 (180deg=0.000493) USER MOD Set 3.2: A 9 SER OG : rot 115:sc= 2 USER MOD Set 3.3: A 51 ASN : amide:sc= 0.285 K(o=3,f=0.19) USER MOD Single : A 1 GLY N :NH3+ -99:sc= 0.0644 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.0672 X(o=-0.067,f=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 CYS SG : rot -136:sc= -3.26! USER MOD Single : A 10 HIS :FLIP no HE2:sc= -1.64 F(o=-4.3!,f=-1.6) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0.00115 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.013) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.385 X(o=-0.38,f=-0.19) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 161:sc= -0.0489 (180deg=-0.327) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -116:sc= 0.0205 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc=-0.00424 X(o=-0.0042,f=-0.31) USER MOD Single : A 77 SER OG : rot 130:sc= -0.173 USER MOD Single : A 81 LYS NZ :NH3+ 161:sc= -0.0761 (180deg=-0.435) USER MOD Single : A 86 TYR OH : rot 165:sc= -0.844 USER MOD Single : A 90 LYS NZ :NH3+ 177:sc=-0.00872 (180deg=-0.0213) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.583 -2.660 -2.149 1.00 14.42 N ATOM 2 CA GLY A 1 2.343 -2.002 -3.194 1.00 41.24 C ATOM 3 C GLY A 1 2.299 -0.491 -3.080 1.00 42.11 C ATOM 4 O GLY A 1 1.548 0.072 -2.282 1.00 71.50 O ATOM 0 H1 GLY A 1 2.228 -2.973 -1.396 1.00 14.42 H new ATOM 0 H2 GLY A 1 0.887 -1.995 -1.755 1.00 14.42 H new ATOM 0 H3 GLY A 1 1.088 -3.484 -2.546 1.00 14.42 H new ATOM 0 HA2 GLY A 1 3.380 -2.336 -3.150 1.00 41.24 H new ATOM 0 HA3 GLY A 1 1.952 -2.301 -4.166 1.00 41.24 H new ATOM 8 N PRO A 2 3.120 0.193 -3.892 1.00 12.03 N ATOM 9 CA PRO A 2 3.191 1.657 -3.896 1.00 35.31 C ATOM 10 C PRO A 2 1.931 2.297 -4.470 1.00 61.30 C ATOM 11 O PRO A 2 1.082 1.613 -5.042 1.00 14.13 O ATOM 12 CB PRO A 2 4.396 1.952 -4.791 1.00 73.42 C ATOM 13 CG PRO A 2 4.503 0.763 -5.685 1.00 12.45 C ATOM 14 CD PRO A 2 4.042 -0.411 -4.868 1.00 75.44 C ATOM 0 HA PRO A 2 3.282 2.063 -2.889 1.00 35.31 H new ATOM 0 HB2 PRO A 2 4.249 2.867 -5.365 1.00 73.42 H new ATOM 0 HB3 PRO A 2 5.303 2.088 -4.202 1.00 73.42 H new ATOM 0 HG2 PRO A 2 3.885 0.886 -6.574 1.00 12.45 H new ATOM 0 HG3 PRO A 2 5.529 0.622 -6.026 1.00 12.45 H new ATOM 0 HD2 PRO A 2 3.542 -1.158 -5.484 1.00 75.44 H new ATOM 0 HD3 PRO A 2 4.877 -0.911 -4.376 1.00 75.44 H new ATOM 22 N SER A 3 1.817 3.611 -4.314 1.00 11.43 N ATOM 23 CA SER A 3 0.660 4.343 -4.815 1.00 15.35 C ATOM 24 C SER A 3 1.093 5.596 -5.569 1.00 14.11 C ATOM 25 O SER A 3 2.220 6.066 -5.418 1.00 13.42 O ATOM 26 CB SER A 3 -0.267 4.725 -3.659 1.00 31.22 C ATOM 27 OG SER A 3 -1.511 5.207 -4.140 1.00 63.10 O ATOM 0 H SER A 3 2.512 4.191 -3.844 1.00 11.43 H new ATOM 0 HA SER A 3 0.122 3.693 -5.505 1.00 15.35 H new ATOM 0 HB2 SER A 3 -0.432 3.858 -3.019 1.00 31.22 H new ATOM 0 HB3 SER A 3 0.209 5.489 -3.044 1.00 31.22 H new ATOM 0 HG SER A 3 -2.086 5.443 -3.382 1.00 63.10 H new ATOM 33 N ASN A 4 0.189 6.132 -6.383 1.00 74.22 N ATOM 34 CA ASN A 4 0.477 7.331 -7.163 1.00 32.42 C ATOM 35 C ASN A 4 -0.748 8.236 -7.241 1.00 32.33 C ATOM 36 O ASN A 4 -0.641 9.457 -7.119 1.00 33.51 O ATOM 37 CB ASN A 4 0.934 6.949 -8.573 1.00 2.14 C ATOM 38 CG ASN A 4 1.335 8.158 -9.396 1.00 31.41 C ATOM 39 OD1 ASN A 4 0.821 8.372 -10.494 1.00 42.24 O ATOM 40 ND2 ASN A 4 2.257 8.955 -8.869 1.00 73.22 N ATOM 0 H ASN A 4 -0.749 5.755 -6.520 1.00 74.22 H new ATOM 0 HA ASN A 4 1.278 7.876 -6.664 1.00 32.42 H new ATOM 0 HB2 ASN A 4 1.778 6.262 -8.505 1.00 2.14 H new ATOM 0 HB3 ASN A 4 0.130 6.417 -9.081 1.00 2.14 H new ATOM 0 HD21 ASN A 4 2.566 9.783 -9.378 1.00 73.22 H new ATOM 0 HD22 ASN A 4 2.656 8.739 -7.956 1.00 73.22 H new ATOM 47 N LYS A 5 -1.913 7.630 -7.444 1.00 50.14 N ATOM 48 CA LYS A 5 -3.161 8.380 -7.537 1.00 65.14 C ATOM 49 C LYS A 5 -4.135 7.951 -6.445 1.00 71.43 C ATOM 50 O LYS A 5 -4.026 6.853 -5.899 1.00 70.35 O ATOM 51 CB LYS A 5 -3.798 8.179 -8.914 1.00 13.11 C ATOM 52 CG LYS A 5 -3.340 6.915 -9.619 1.00 24.43 C ATOM 53 CD LYS A 5 -4.005 6.761 -10.976 1.00 22.33 C ATOM 54 CE LYS A 5 -3.174 7.399 -12.080 1.00 23.34 C ATOM 55 NZ LYS A 5 -2.216 6.432 -12.683 1.00 14.04 N ATOM 0 H LYS A 5 -2.019 6.621 -7.547 1.00 50.14 H new ATOM 0 HA LYS A 5 -2.933 9.437 -7.400 1.00 65.14 H new ATOM 0 HB2 LYS A 5 -4.882 8.150 -8.802 1.00 13.11 H new ATOM 0 HB3 LYS A 5 -3.565 9.039 -9.541 1.00 13.11 H new ATOM 0 HG2 LYS A 5 -2.257 6.939 -9.744 1.00 24.43 H new ATOM 0 HG3 LYS A 5 -3.570 6.048 -9.000 1.00 24.43 H new ATOM 0 HD2 LYS A 5 -4.150 5.703 -11.193 1.00 22.33 H new ATOM 0 HD3 LYS A 5 -4.994 7.220 -10.952 1.00 22.33 H new ATOM 0 HE2 LYS A 5 -3.836 7.786 -12.855 1.00 23.34 H new ATOM 0 HE3 LYS A 5 -2.625 8.250 -11.676 1.00 23.34 H new ATOM 0 HZ1 LYS A 5 -1.669 6.905 -13.430 1.00 14.04 H new ATOM 0 HZ2 LYS A 5 -1.568 6.082 -11.949 1.00 14.04 H new ATOM 0 HZ3 LYS A 5 -2.741 5.632 -13.092 1.00 14.04 H new ATOM 69 N ILE A 6 -5.089 8.821 -6.134 1.00 42.23 N ATOM 70 CA ILE A 6 -6.084 8.531 -5.110 1.00 72.32 C ATOM 71 C ILE A 6 -7.432 9.154 -5.461 1.00 30.24 C ATOM 72 O ILE A 6 -7.496 10.181 -6.137 1.00 10.10 O ATOM 73 CB ILE A 6 -5.638 9.043 -3.728 1.00 41.35 C ATOM 74 CG1 ILE A 6 -5.397 10.553 -3.775 1.00 4.44 C ATOM 75 CG2 ILE A 6 -4.381 8.314 -3.275 1.00 50.12 C ATOM 76 CD1 ILE A 6 -5.732 11.258 -2.478 1.00 71.04 C ATOM 0 H ILE A 6 -5.194 9.734 -6.577 1.00 42.23 H new ATOM 0 HA ILE A 6 -6.187 7.447 -5.069 1.00 72.32 H new ATOM 0 HB ILE A 6 -6.431 8.842 -3.007 1.00 41.35 H new ATOM 0 HG12 ILE A 6 -4.351 10.739 -4.021 1.00 4.44 H new ATOM 0 HG13 ILE A 6 -5.995 10.984 -4.578 1.00 4.44 H new ATOM 0 HG21 ILE A 6 -4.077 8.686 -2.297 1.00 50.12 H new ATOM 0 HG22 ILE A 6 -4.584 7.245 -3.210 1.00 50.12 H new ATOM 0 HG23 ILE A 6 -3.580 8.488 -3.994 1.00 50.12 H new ATOM 0 HD11 ILE A 6 -5.537 12.325 -2.583 1.00 71.04 H new ATOM 0 HD12 ILE A 6 -6.785 11.103 -2.241 1.00 71.04 H new ATOM 0 HD13 ILE A 6 -5.116 10.854 -1.675 1.00 71.04 H new ATOM 88 N LYS A 7 -8.507 8.529 -4.992 1.00 63.35 N ATOM 89 CA LYS A 7 -9.853 9.022 -5.252 1.00 54.43 C ATOM 90 C LYS A 7 -10.147 10.265 -4.418 1.00 33.12 C ATOM 91 O LYS A 7 -9.668 10.395 -3.291 1.00 14.41 O ATOM 92 CB LYS A 7 -10.885 7.934 -4.947 1.00 51.11 C ATOM 93 CG LYS A 7 -11.728 7.540 -6.148 1.00 42.44 C ATOM 94 CD LYS A 7 -13.130 7.129 -5.735 1.00 71.22 C ATOM 95 CE LYS A 7 -14.167 8.142 -6.196 1.00 61.15 C ATOM 96 NZ LYS A 7 -15.556 7.635 -6.019 1.00 61.44 N ATOM 0 H LYS A 7 -8.471 7.679 -4.429 1.00 63.35 H new ATOM 0 HA LYS A 7 -9.918 9.290 -6.307 1.00 54.43 H new ATOM 0 HB2 LYS A 7 -10.369 7.051 -4.571 1.00 51.11 H new ATOM 0 HB3 LYS A 7 -11.543 8.282 -4.151 1.00 51.11 H new ATOM 0 HG2 LYS A 7 -11.784 8.377 -6.845 1.00 42.44 H new ATOM 0 HG3 LYS A 7 -11.247 6.717 -6.676 1.00 42.44 H new ATOM 0 HD2 LYS A 7 -13.363 6.151 -6.157 1.00 71.22 H new ATOM 0 HD3 LYS A 7 -13.176 7.028 -4.651 1.00 71.22 H new ATOM 0 HE2 LYS A 7 -14.044 9.068 -5.634 1.00 61.15 H new ATOM 0 HE3 LYS A 7 -13.999 8.381 -7.246 1.00 61.15 H new ATOM 0 HZ1 LYS A 7 -16.106 7.822 -6.881 1.00 61.44 H new ATOM 0 HZ2 LYS A 7 -15.532 6.611 -5.840 1.00 61.44 H new ATOM 0 HZ3 LYS A 7 -16.001 8.117 -5.212 1.00 61.44 H new ATOM 110 N CYS A 8 -10.938 11.174 -4.978 1.00 52.11 N ATOM 111 CA CYS A 8 -11.296 12.406 -4.285 1.00 51.11 C ATOM 112 C CYS A 8 -12.235 13.256 -5.136 1.00 34.14 C ATOM 113 O CYS A 8 -12.278 13.116 -6.358 1.00 13.54 O ATOM 114 CB CYS A 8 -10.039 13.206 -3.939 1.00 43.22 C ATOM 115 SG CYS A 8 -8.963 13.538 -5.353 1.00 70.05 S ATOM 0 H CYS A 8 -11.343 11.081 -5.909 1.00 52.11 H new ATOM 0 HA CYS A 8 -11.812 12.137 -3.363 1.00 51.11 H new ATOM 0 HB2 CYS A 8 -10.337 14.155 -3.492 1.00 43.22 H new ATOM 0 HB3 CYS A 8 -9.471 12.662 -3.184 1.00 43.22 H new ATOM 0 HG CYS A 8 -7.726 13.320 -5.018 1.00 70.05 H new ATOM 121 N SER A 9 -12.988 14.134 -4.480 1.00 23.33 N ATOM 122 CA SER A 9 -13.931 15.002 -5.175 1.00 65.01 C ATOM 123 C SER A 9 -13.540 16.468 -5.015 1.00 25.24 C ATOM 124 O SER A 9 -12.435 16.783 -4.571 1.00 24.11 O ATOM 125 CB SER A 9 -15.348 14.779 -4.644 1.00 41.45 C ATOM 126 OG SER A 9 -15.675 13.400 -4.629 1.00 54.24 O ATOM 0 H SER A 9 -12.963 14.263 -3.468 1.00 23.33 H new ATOM 0 HA SER A 9 -13.904 14.751 -6.235 1.00 65.01 H new ATOM 0 HB2 SER A 9 -15.431 15.187 -3.637 1.00 41.45 H new ATOM 0 HB3 SER A 9 -16.062 15.319 -5.266 1.00 41.45 H new ATOM 0 HG SER A 9 -15.798 13.103 -3.703 1.00 54.24 H new ATOM 132 N HIS A 10 -14.454 17.361 -5.379 1.00 31.20 N ATOM 133 CA HIS A 10 -14.207 18.795 -5.276 1.00 24.13 C ATOM 134 C HIS A 10 -15.485 19.587 -5.532 1.00 14.23 C ATOM 135 O HIS A 10 -16.333 19.176 -6.325 1.00 42.34 O ATOM 136 CB HIS A 10 -13.123 19.220 -6.266 1.00 70.04 C ATOM 137 CG HIS A 10 -13.498 18.990 -7.699 1.00 4.52 C ATOM 138 ND1 HIS A 10 -13.692 17.844 -8.391 1.00 23.04 N flip ATOM 139 CD2 HIS A 10 -13.713 20.018 -8.594 1.00 1.23 C flip ATOM 140 CE1 HIS A 10 -14.020 18.194 -9.676 1.00 12.31 C flip ATOM 141 NE2 HIS A 10 -14.026 19.512 -9.773 1.00 51.54 N flip ATOM 0 H HIS A 10 -15.373 17.117 -5.748 1.00 31.20 H new ATOM 0 HA HIS A 10 -13.866 19.007 -4.263 1.00 24.13 H new ATOM 0 HB2 HIS A 10 -12.905 20.278 -6.121 1.00 70.04 H new ATOM 0 HB3 HIS A 10 -12.207 18.672 -6.046 1.00 70.04 H new ATOM 0 HD1 HIS A 10 -13.610 16.895 -8.025 1.00 23.04 H new ATOM 0 HD2 HIS A 10 -13.637 21.071 -8.366 1.00 1.23 H new ATOM 0 HE1 HIS A 10 -14.238 17.505 -10.478 1.00 12.31 H new ATOM 149 N ILE A 11 -15.618 20.722 -4.855 1.00 45.23 N ATOM 150 CA ILE A 11 -16.793 21.571 -5.010 1.00 50.45 C ATOM 151 C ILE A 11 -16.432 23.044 -4.852 1.00 65.02 C ATOM 152 O ILE A 11 -15.870 23.451 -3.834 1.00 12.23 O ATOM 153 CB ILE A 11 -17.887 21.210 -3.988 1.00 13.20 C ATOM 154 CG1 ILE A 11 -18.409 19.795 -4.245 1.00 70.24 C ATOM 155 CG2 ILE A 11 -19.024 22.219 -4.051 1.00 1.52 C ATOM 156 CD1 ILE A 11 -19.375 19.306 -3.189 1.00 71.04 C ATOM 0 H ILE A 11 -14.927 21.075 -4.194 1.00 45.23 H new ATOM 0 HA ILE A 11 -17.176 21.399 -6.016 1.00 50.45 H new ATOM 0 HB ILE A 11 -17.454 21.241 -2.988 1.00 13.20 H new ATOM 0 HG12 ILE A 11 -18.902 19.769 -5.217 1.00 70.24 H new ATOM 0 HG13 ILE A 11 -17.564 19.109 -4.298 1.00 70.24 H new ATOM 0 HG21 ILE A 11 -19.789 21.950 -3.323 1.00 1.52 H new ATOM 0 HG22 ILE A 11 -18.641 23.214 -3.824 1.00 1.52 H new ATOM 0 HG23 ILE A 11 -19.458 22.217 -5.051 1.00 1.52 H new ATOM 0 HD11 ILE A 11 -19.704 18.297 -3.436 1.00 71.04 H new ATOM 0 HD12 ILE A 11 -18.880 19.299 -2.218 1.00 71.04 H new ATOM 0 HD13 ILE A 11 -20.239 19.970 -3.151 1.00 71.04 H new ATOM 168 N LEU A 12 -16.759 23.839 -5.865 1.00 45.51 N ATOM 169 CA LEU A 12 -16.471 25.269 -5.839 1.00 24.21 C ATOM 170 C LEU A 12 -17.726 26.071 -5.512 1.00 25.04 C ATOM 171 O LEU A 12 -18.816 25.761 -5.993 1.00 3.50 O ATOM 172 CB LEU A 12 -15.900 25.719 -7.184 1.00 45.44 C ATOM 173 CG LEU A 12 -14.376 25.674 -7.317 1.00 34.43 C ATOM 174 CD1 LEU A 12 -13.723 26.552 -6.261 1.00 64.05 C ATOM 175 CD2 LEU A 12 -13.874 24.242 -7.209 1.00 2.12 C ATOM 0 H LEU A 12 -17.224 23.518 -6.714 1.00 45.51 H new ATOM 0 HA LEU A 12 -15.732 25.452 -5.059 1.00 24.21 H new ATOM 0 HB2 LEU A 12 -16.331 25.094 -7.966 1.00 45.44 H new ATOM 0 HB3 LEU A 12 -16.231 26.740 -7.373 1.00 45.44 H new ATOM 0 HG LEU A 12 -14.104 26.060 -8.299 1.00 34.43 H new ATOM 0 HD11 LEU A 12 -12.639 26.508 -6.370 1.00 64.05 H new ATOM 0 HD12 LEU A 12 -14.059 27.582 -6.385 1.00 64.05 H new ATOM 0 HD13 LEU A 12 -14.002 26.197 -5.269 1.00 64.05 H new ATOM 0 HD21 LEU A 12 -12.788 24.229 -7.306 1.00 2.12 H new ATOM 0 HD22 LEU A 12 -14.157 23.829 -6.241 1.00 2.12 H new ATOM 0 HD23 LEU A 12 -14.316 23.640 -8.003 1.00 2.12 H new ATOM 187 N VAL A 13 -17.564 27.106 -4.693 1.00 31.43 N ATOM 188 CA VAL A 13 -18.683 27.955 -4.303 1.00 50.25 C ATOM 189 C VAL A 13 -18.262 29.418 -4.229 1.00 52.45 C ATOM 190 O VAL A 13 -17.101 29.753 -4.458 1.00 2.10 O ATOM 191 CB VAL A 13 -19.264 27.529 -2.943 1.00 2.44 C ATOM 192 CG1 VAL A 13 -19.734 26.084 -2.990 1.00 3.31 C ATOM 193 CG2 VAL A 13 -18.236 27.729 -1.839 1.00 12.41 C ATOM 0 H VAL A 13 -16.668 27.376 -4.287 1.00 31.43 H new ATOM 0 HA VAL A 13 -19.450 27.839 -5.068 1.00 50.25 H new ATOM 0 HB VAL A 13 -20.127 28.158 -2.724 1.00 2.44 H new ATOM 0 HG11 VAL A 13 -20.141 25.802 -2.019 1.00 3.31 H new ATOM 0 HG12 VAL A 13 -20.506 25.977 -3.752 1.00 3.31 H new ATOM 0 HG13 VAL A 13 -18.892 25.435 -3.233 1.00 3.31 H new ATOM 0 HG21 VAL A 13 -18.663 27.423 -0.884 1.00 12.41 H new ATOM 0 HG22 VAL A 13 -17.353 27.127 -2.051 1.00 12.41 H new ATOM 0 HG23 VAL A 13 -17.955 28.781 -1.790 1.00 12.41 H new ATOM 203 N SER A 14 -19.216 30.287 -3.908 1.00 3.20 N ATOM 204 CA SER A 14 -18.945 31.716 -3.807 1.00 11.10 C ATOM 205 C SER A 14 -19.204 32.219 -2.390 1.00 51.34 C ATOM 206 O SER A 14 -19.235 33.424 -2.142 1.00 44.54 O ATOM 207 CB SER A 14 -19.811 32.492 -4.802 1.00 23.03 C ATOM 208 OG SER A 14 -21.123 31.962 -4.859 1.00 31.44 O ATOM 0 H SER A 14 -20.183 30.026 -3.714 1.00 3.20 H new ATOM 0 HA SER A 14 -17.894 31.880 -4.046 1.00 11.10 H new ATOM 0 HB2 SER A 14 -19.852 33.542 -4.511 1.00 23.03 H new ATOM 0 HB3 SER A 14 -19.356 32.453 -5.792 1.00 23.03 H new ATOM 0 HG SER A 14 -21.656 32.477 -5.500 1.00 31.44 H new ATOM 214 N LYS A 15 -19.391 31.286 -1.462 1.00 53.22 N ATOM 215 CA LYS A 15 -19.646 31.632 -0.070 1.00 32.14 C ATOM 216 C LYS A 15 -18.972 30.637 0.870 1.00 62.01 C ATOM 217 O LYS A 15 -18.769 29.476 0.517 1.00 12.10 O ATOM 218 CB LYS A 15 -21.152 31.664 0.202 1.00 43.14 C ATOM 219 CG LYS A 15 -21.910 32.634 -0.688 1.00 41.24 C ATOM 220 CD LYS A 15 -21.583 34.078 -0.345 1.00 61.11 C ATOM 221 CE LYS A 15 -22.044 34.434 1.061 1.00 42.13 C ATOM 222 NZ LYS A 15 -22.076 35.907 1.277 1.00 34.41 N ATOM 0 H LYS A 15 -19.371 30.284 -1.650 1.00 53.22 H new ATOM 0 HA LYS A 15 -19.228 32.622 0.114 1.00 32.14 H new ATOM 0 HB2 LYS A 15 -21.559 30.662 0.063 1.00 43.14 H new ATOM 0 HB3 LYS A 15 -21.319 31.934 1.245 1.00 43.14 H new ATOM 0 HG2 LYS A 15 -21.661 32.442 -1.732 1.00 41.24 H new ATOM 0 HG3 LYS A 15 -22.982 32.467 -0.580 1.00 41.24 H new ATOM 0 HD2 LYS A 15 -20.508 34.239 -0.428 1.00 61.11 H new ATOM 0 HD3 LYS A 15 -22.061 34.742 -1.065 1.00 61.11 H new ATOM 0 HE2 LYS A 15 -23.037 34.020 1.233 1.00 42.13 H new ATOM 0 HE3 LYS A 15 -21.376 33.974 1.790 1.00 42.13 H new ATOM 0 HZ1 LYS A 15 -22.395 36.109 2.246 1.00 34.41 H new ATOM 0 HZ2 LYS A 15 -21.123 36.299 1.137 1.00 34.41 H new ATOM 0 HZ3 LYS A 15 -22.733 36.343 0.599 1.00 34.41 H new ATOM 236 N GLN A 16 -18.628 31.101 2.067 1.00 1.24 N ATOM 237 CA GLN A 16 -17.977 30.251 3.057 1.00 3.54 C ATOM 238 C GLN A 16 -18.946 29.206 3.600 1.00 54.51 C ATOM 239 O GLN A 16 -18.592 28.037 3.752 1.00 34.02 O ATOM 240 CB GLN A 16 -17.427 31.099 4.206 1.00 44.14 C ATOM 241 CG GLN A 16 -15.980 31.520 4.012 1.00 1.23 C ATOM 242 CD GLN A 16 -15.249 31.721 5.325 1.00 33.33 C ATOM 243 OE1 GLN A 16 -14.888 30.757 6.001 1.00 30.33 O ATOM 244 NE2 GLN A 16 -15.028 32.977 5.694 1.00 4.22 N ATOM 0 H GLN A 16 -18.789 32.060 2.375 1.00 1.24 H new ATOM 0 HA GLN A 16 -17.151 29.734 2.568 1.00 3.54 H new ATOM 0 HB2 GLN A 16 -18.044 31.990 4.317 1.00 44.14 H new ATOM 0 HB3 GLN A 16 -17.511 30.536 5.135 1.00 44.14 H new ATOM 0 HG2 GLN A 16 -15.461 30.763 3.424 1.00 1.23 H new ATOM 0 HG3 GLN A 16 -15.949 32.446 3.438 1.00 1.23 H new ATOM 0 HE21 GLN A 16 -15.345 33.745 5.103 1.00 4.22 H new ATOM 0 HE22 GLN A 16 -14.541 33.173 6.569 1.00 4.22 H new ATOM 253 N SER A 17 -20.171 29.636 3.889 1.00 25.11 N ATOM 254 CA SER A 17 -21.190 28.737 4.419 1.00 45.51 C ATOM 255 C SER A 17 -21.646 27.746 3.353 1.00 30.43 C ATOM 256 O SER A 17 -22.217 26.702 3.667 1.00 54.33 O ATOM 257 CB SER A 17 -22.388 29.538 4.933 1.00 44.52 C ATOM 258 OG SER A 17 -21.965 30.707 5.615 1.00 72.05 O ATOM 0 H SER A 17 -20.481 30.600 3.765 1.00 25.11 H new ATOM 0 HA SER A 17 -20.753 28.178 5.247 1.00 45.51 H new ATOM 0 HB2 SER A 17 -23.031 29.813 4.097 1.00 44.52 H new ATOM 0 HB3 SER A 17 -22.984 28.918 5.603 1.00 44.52 H new ATOM 0 HG SER A 17 -22.749 31.202 5.932 1.00 72.05 H new ATOM 264 N GLU A 18 -21.390 28.081 2.093 1.00 65.12 N ATOM 265 CA GLU A 18 -21.775 27.220 0.981 1.00 65.44 C ATOM 266 C GLU A 18 -20.801 26.054 0.833 1.00 13.20 C ATOM 267 O GLU A 18 -21.203 24.933 0.521 1.00 62.21 O ATOM 268 CB GLU A 18 -21.828 28.023 -0.320 1.00 44.33 C ATOM 269 CG GLU A 18 -23.159 28.715 -0.555 1.00 13.40 C ATOM 270 CD GLU A 18 -23.208 29.453 -1.879 1.00 3.32 C ATOM 271 OE1 GLU A 18 -22.130 29.814 -2.395 1.00 50.33 O ATOM 272 OE2 GLU A 18 -24.323 29.671 -2.397 1.00 64.03 O ATOM 0 H GLU A 18 -20.918 28.942 1.817 1.00 65.12 H new ATOM 0 HA GLU A 18 -22.766 26.818 1.192 1.00 65.44 H new ATOM 0 HB2 GLU A 18 -21.036 28.772 -0.307 1.00 44.33 H new ATOM 0 HB3 GLU A 18 -21.622 27.356 -1.157 1.00 44.33 H new ATOM 0 HG2 GLU A 18 -23.959 27.975 -0.526 1.00 13.40 H new ATOM 0 HG3 GLU A 18 -23.346 29.419 0.256 1.00 13.40 H new ATOM 279 N ALA A 19 -19.521 26.327 1.058 1.00 1.52 N ATOM 280 CA ALA A 19 -18.490 25.302 0.952 1.00 10.40 C ATOM 281 C ALA A 19 -18.361 24.517 2.253 1.00 43.21 C ATOM 282 O ALA A 19 -18.096 23.314 2.240 1.00 1.53 O ATOM 283 CB ALA A 19 -17.156 25.931 0.578 1.00 50.33 C ATOM 0 H ALA A 19 -19.172 27.250 1.315 1.00 1.52 H new ATOM 0 HA ALA A 19 -18.784 24.606 0.166 1.00 10.40 H new ATOM 0 HB1 ALA A 19 -16.396 25.154 0.502 1.00 50.33 H new ATOM 0 HB2 ALA A 19 -17.250 26.441 -0.381 1.00 50.33 H new ATOM 0 HB3 ALA A 19 -16.865 26.650 1.344 1.00 50.33 H new ATOM 289 N LEU A 20 -18.548 25.204 3.374 1.00 61.11 N ATOM 290 CA LEU A 20 -18.451 24.570 4.685 1.00 41.32 C ATOM 291 C LEU A 20 -19.736 23.819 5.023 1.00 2.31 C ATOM 292 O LEU A 20 -19.835 23.179 6.069 1.00 70.35 O ATOM 293 CB LEU A 20 -18.162 25.620 5.760 1.00 71.45 C ATOM 294 CG LEU A 20 -17.532 25.099 7.053 1.00 64.13 C ATOM 295 CD1 LEU A 20 -16.015 25.159 6.968 1.00 11.12 C ATOM 296 CD2 LEU A 20 -18.034 25.896 8.248 1.00 64.32 C ATOM 0 H LEU A 20 -18.768 26.200 3.402 1.00 61.11 H new ATOM 0 HA LEU A 20 -17.630 23.853 4.656 1.00 41.32 H new ATOM 0 HB2 LEU A 20 -17.500 26.374 5.335 1.00 71.45 H new ATOM 0 HB3 LEU A 20 -19.097 26.121 6.011 1.00 71.45 H new ATOM 0 HG LEU A 20 -17.827 24.058 7.186 1.00 64.13 H new ATOM 0 HD11 LEU A 20 -15.583 24.785 7.896 1.00 11.12 H new ATOM 0 HD12 LEU A 20 -15.673 24.545 6.135 1.00 11.12 H new ATOM 0 HD13 LEU A 20 -15.700 26.191 6.812 1.00 11.12 H new ATOM 0 HD21 LEU A 20 -17.576 25.512 9.160 1.00 64.32 H new ATOM 0 HD22 LEU A 20 -17.769 26.946 8.123 1.00 64.32 H new ATOM 0 HD23 LEU A 20 -19.118 25.802 8.319 1.00 64.32 H new ATOM 308 N ALA A 21 -20.716 23.902 4.129 1.00 4.54 N ATOM 309 CA ALA A 21 -21.992 23.228 4.331 1.00 61.11 C ATOM 310 C ALA A 21 -21.917 21.769 3.893 1.00 24.01 C ATOM 311 O ALA A 21 -22.731 20.944 4.308 1.00 30.02 O ATOM 312 CB ALA A 21 -23.097 23.951 3.575 1.00 4.10 C ATOM 0 H ALA A 21 -20.650 24.429 3.258 1.00 4.54 H new ATOM 0 HA ALA A 21 -22.221 23.250 5.396 1.00 61.11 H new ATOM 0 HB1 ALA A 21 -24.044 23.436 3.735 1.00 4.10 H new ATOM 0 HB2 ALA A 21 -23.175 24.976 3.937 1.00 4.10 H new ATOM 0 HB3 ALA A 21 -22.864 23.959 2.510 1.00 4.10 H new ATOM 318 N ILE A 22 -20.935 21.458 3.053 1.00 32.11 N ATOM 319 CA ILE A 22 -20.755 20.098 2.560 1.00 23.34 C ATOM 320 C ILE A 22 -20.141 19.202 3.631 1.00 13.42 C ATOM 321 O ILE A 22 -20.256 17.978 3.571 1.00 44.43 O ATOM 322 CB ILE A 22 -19.861 20.068 1.307 1.00 25.14 C ATOM 323 CG1 ILE A 22 -20.482 20.908 0.190 1.00 24.12 C ATOM 324 CG2 ILE A 22 -19.647 18.635 0.843 1.00 32.21 C ATOM 325 CD1 ILE A 22 -19.829 22.263 0.019 1.00 73.25 C ATOM 0 H ILE A 22 -20.253 22.129 2.700 1.00 32.11 H new ATOM 0 HA ILE A 22 -21.745 19.723 2.299 1.00 23.34 H new ATOM 0 HB ILE A 22 -18.891 20.496 1.561 1.00 25.14 H new ATOM 0 HG12 ILE A 22 -20.412 20.359 -0.749 1.00 24.12 H new ATOM 0 HG13 ILE A 22 -21.543 21.048 0.399 1.00 24.12 H new ATOM 0 HG21 ILE A 22 -19.013 18.630 -0.044 1.00 32.21 H new ATOM 0 HG22 ILE A 22 -19.165 18.064 1.636 1.00 32.21 H new ATOM 0 HG23 ILE A 22 -20.609 18.183 0.603 1.00 32.21 H new ATOM 0 HD11 ILE A 22 -20.320 22.804 -0.790 1.00 73.25 H new ATOM 0 HD12 ILE A 22 -19.922 22.831 0.944 1.00 73.25 H new ATOM 0 HD13 ILE A 22 -18.774 22.131 -0.221 1.00 73.25 H new ATOM 337 N MET A 23 -19.492 19.822 4.612 1.00 21.40 N ATOM 338 CA MET A 23 -18.862 19.079 5.698 1.00 14.53 C ATOM 339 C MET A 23 -19.790 18.993 6.906 1.00 13.20 C ATOM 340 O MET A 23 -19.516 18.264 7.859 1.00 73.33 O ATOM 341 CB MET A 23 -17.544 19.743 6.100 1.00 23.02 C ATOM 342 CG MET A 23 -17.713 21.149 6.651 1.00 51.45 C ATOM 343 SD MET A 23 -16.201 21.792 7.393 1.00 11.42 S ATOM 344 CE MET A 23 -16.670 21.850 9.120 1.00 2.42 C ATOM 0 H MET A 23 -19.389 20.835 4.677 1.00 21.40 H new ATOM 0 HA MET A 23 -18.659 18.068 5.345 1.00 14.53 H new ATOM 0 HB2 MET A 23 -17.050 19.125 6.850 1.00 23.02 H new ATOM 0 HB3 MET A 23 -16.886 19.779 5.232 1.00 23.02 H new ATOM 0 HG2 MET A 23 -18.030 21.814 5.848 1.00 51.45 H new ATOM 0 HG3 MET A 23 -18.508 21.149 7.397 1.00 51.45 H new ATOM 0 HE1 MET A 23 -15.836 22.229 9.711 1.00 2.42 H new ATOM 0 HE2 MET A 23 -17.530 22.509 9.242 1.00 2.42 H new ATOM 0 HE3 MET A 23 -16.930 20.848 9.460 1.00 2.42 H new ATOM 354 N GLU A 24 -20.887 19.743 6.859 1.00 0.31 N ATOM 355 CA GLU A 24 -21.853 19.751 7.951 1.00 13.22 C ATOM 356 C GLU A 24 -23.151 19.064 7.534 1.00 12.22 C ATOM 357 O GLU A 24 -23.844 18.469 8.359 1.00 74.02 O ATOM 358 CB GLU A 24 -22.143 21.186 8.395 1.00 22.30 C ATOM 359 CG GLU A 24 -23.121 21.917 7.492 1.00 51.14 C ATOM 360 CD GLU A 24 -23.111 23.417 7.713 1.00 10.11 C ATOM 361 OE1 GLU A 24 -22.345 23.885 8.582 1.00 62.34 O ATOM 362 OE2 GLU A 24 -23.869 24.124 7.016 1.00 1.11 O ATOM 0 H GLU A 24 -21.128 20.352 6.077 1.00 0.31 H new ATOM 0 HA GLU A 24 -21.422 19.200 8.787 1.00 13.22 H new ATOM 0 HB2 GLU A 24 -22.541 21.170 9.410 1.00 22.30 H new ATOM 0 HB3 GLU A 24 -21.207 21.743 8.429 1.00 22.30 H new ATOM 0 HG2 GLU A 24 -22.876 21.705 6.451 1.00 51.14 H new ATOM 0 HG3 GLU A 24 -24.127 21.535 7.667 1.00 51.14 H new ATOM 369 N LYS A 25 -23.473 19.153 6.248 1.00 34.40 N ATOM 370 CA LYS A 25 -24.686 18.540 5.719 1.00 14.34 C ATOM 371 C LYS A 25 -24.546 17.023 5.654 1.00 64.23 C ATOM 372 O LYS A 25 -25.374 16.288 6.193 1.00 3.50 O ATOM 373 CB LYS A 25 -24.997 19.095 4.328 1.00 51.34 C ATOM 374 CG LYS A 25 -26.396 18.764 3.839 1.00 72.13 C ATOM 375 CD LYS A 25 -27.355 19.922 4.063 1.00 61.42 C ATOM 376 CE LYS A 25 -28.800 19.498 3.854 1.00 61.43 C ATOM 377 NZ LYS A 25 -29.698 20.668 3.656 1.00 52.31 N ATOM 0 H LYS A 25 -22.911 19.644 5.553 1.00 34.40 H new ATOM 0 HA LYS A 25 -25.509 18.782 6.392 1.00 14.34 H new ATOM 0 HB2 LYS A 25 -24.873 20.178 4.342 1.00 51.34 H new ATOM 0 HB3 LYS A 25 -24.270 18.700 3.618 1.00 51.34 H new ATOM 0 HG2 LYS A 25 -26.363 18.519 2.778 1.00 72.13 H new ATOM 0 HG3 LYS A 25 -26.764 17.880 4.359 1.00 72.13 H new ATOM 0 HD2 LYS A 25 -27.231 20.308 5.075 1.00 61.42 H new ATOM 0 HD3 LYS A 25 -27.111 20.735 3.379 1.00 61.42 H new ATOM 0 HE2 LYS A 25 -28.864 18.841 2.987 1.00 61.43 H new ATOM 0 HE3 LYS A 25 -29.138 18.923 4.716 1.00 61.43 H new ATOM 0 HZ1 LYS A 25 -30.674 20.337 3.517 1.00 52.31 H new ATOM 0 HZ2 LYS A 25 -29.657 21.283 4.494 1.00 52.31 H new ATOM 0 HZ3 LYS A 25 -29.391 21.203 2.819 1.00 52.31 H new ATOM 391 N LEU A 26 -23.492 16.559 4.990 1.00 12.50 N ATOM 392 CA LEU A 26 -23.242 15.128 4.855 1.00 41.31 C ATOM 393 C LEU A 26 -23.163 14.458 6.223 1.00 32.20 C ATOM 394 O LEU A 26 -23.416 13.260 6.354 1.00 4.34 O ATOM 395 CB LEU A 26 -21.944 14.888 4.081 1.00 34.01 C ATOM 396 CG LEU A 26 -21.846 15.561 2.712 1.00 64.35 C ATOM 397 CD1 LEU A 26 -20.482 15.302 2.088 1.00 54.43 C ATOM 398 CD2 LEU A 26 -22.956 15.069 1.795 1.00 43.34 C ATOM 0 H LEU A 26 -22.797 17.153 4.537 1.00 12.50 H new ATOM 0 HA LEU A 26 -24.073 14.689 4.303 1.00 41.31 H new ATOM 0 HB2 LEU A 26 -21.110 15.232 4.693 1.00 34.01 H new ATOM 0 HB3 LEU A 26 -21.818 13.814 3.946 1.00 34.01 H new ATOM 0 HG LEU A 26 -21.964 16.636 2.847 1.00 64.35 H new ATOM 0 HD11 LEU A 26 -20.429 15.788 1.114 1.00 54.43 H new ATOM 0 HD12 LEU A 26 -19.703 15.703 2.736 1.00 54.43 H new ATOM 0 HD13 LEU A 26 -20.335 14.229 1.966 1.00 54.43 H new ATOM 0 HD21 LEU A 26 -22.870 15.559 0.825 1.00 43.34 H new ATOM 0 HD22 LEU A 26 -22.870 13.990 1.666 1.00 43.34 H new ATOM 0 HD23 LEU A 26 -23.924 15.305 2.237 1.00 43.34 H new ATOM 410 N LYS A 27 -22.814 15.238 7.240 1.00 44.42 N ATOM 411 CA LYS A 27 -22.705 14.723 8.599 1.00 31.31 C ATOM 412 C LYS A 27 -24.002 14.045 9.029 1.00 15.21 C ATOM 413 O LYS A 27 -23.997 13.159 9.884 1.00 2.40 O ATOM 414 CB LYS A 27 -22.362 15.855 9.570 1.00 53.21 C ATOM 415 CG LYS A 27 -22.180 15.390 11.005 1.00 2.30 C ATOM 416 CD LYS A 27 -21.373 16.392 11.817 1.00 75.35 C ATOM 417 CE LYS A 27 -20.628 15.713 12.955 1.00 2.43 C ATOM 418 NZ LYS A 27 -19.647 16.630 13.601 1.00 55.34 N ATOM 0 H LYS A 27 -22.601 16.231 7.148 1.00 44.42 H new ATOM 0 HA LYS A 27 -21.905 13.983 8.617 1.00 31.31 H new ATOM 0 HB2 LYS A 27 -21.447 16.344 9.236 1.00 53.21 H new ATOM 0 HB3 LYS A 27 -23.154 16.603 9.537 1.00 53.21 H new ATOM 0 HG2 LYS A 27 -23.156 15.246 11.469 1.00 2.30 H new ATOM 0 HG3 LYS A 27 -21.677 14.423 11.014 1.00 2.30 H new ATOM 0 HD2 LYS A 27 -20.661 16.900 11.167 1.00 75.35 H new ATOM 0 HD3 LYS A 27 -22.038 17.156 12.220 1.00 75.35 H new ATOM 0 HE2 LYS A 27 -21.343 15.363 13.700 1.00 2.43 H new ATOM 0 HE3 LYS A 27 -20.108 14.834 12.575 1.00 2.43 H new ATOM 0 HZ1 LYS A 27 -19.160 16.130 14.372 1.00 55.34 H new ATOM 0 HZ2 LYS A 27 -18.949 16.944 12.897 1.00 55.34 H new ATOM 0 HZ3 LYS A 27 -20.146 17.457 13.986 1.00 55.34 H new ATOM 432 N SER A 28 -25.112 14.467 8.431 1.00 2.50 N ATOM 433 CA SER A 28 -26.417 13.903 8.754 1.00 40.34 C ATOM 434 C SER A 28 -26.636 12.585 8.016 1.00 52.51 C ATOM 435 O SER A 28 -27.380 11.720 8.477 1.00 24.00 O ATOM 436 CB SER A 28 -27.527 14.892 8.396 1.00 52.43 C ATOM 437 OG SER A 28 -28.806 14.297 8.538 1.00 41.44 O ATOM 0 H SER A 28 -25.133 15.198 7.720 1.00 2.50 H new ATOM 0 HA SER A 28 -26.446 13.709 9.826 1.00 40.34 H new ATOM 0 HB2 SER A 28 -27.457 15.770 9.039 1.00 52.43 H new ATOM 0 HB3 SER A 28 -27.395 15.236 7.370 1.00 52.43 H new ATOM 0 HG SER A 28 -29.498 14.950 8.305 1.00 41.44 H new ATOM 443 N GLY A 29 -25.984 12.442 6.867 1.00 54.55 N ATOM 444 CA GLY A 29 -26.121 11.229 6.082 1.00 41.13 C ATOM 445 C GLY A 29 -26.557 11.506 4.657 1.00 60.04 C ATOM 446 O GLY A 29 -27.362 10.765 4.092 1.00 44.23 O ATOM 0 H GLY A 29 -25.363 13.144 6.465 1.00 54.55 H new ATOM 0 HA2 GLY A 29 -25.169 10.698 6.071 1.00 41.13 H new ATOM 0 HA3 GLY A 29 -26.847 10.571 6.559 1.00 41.13 H new ATOM 450 N GLU A 30 -26.026 12.577 4.074 1.00 22.02 N ATOM 451 CA GLU A 30 -26.368 12.950 2.707 1.00 12.52 C ATOM 452 C GLU A 30 -25.324 12.431 1.723 1.00 23.14 C ATOM 453 O GLU A 30 -24.474 11.613 2.077 1.00 32.11 O ATOM 454 CB GLU A 30 -26.486 14.472 2.585 1.00 72.42 C ATOM 455 CG GLU A 30 -27.170 15.126 3.774 1.00 41.34 C ATOM 456 CD GLU A 30 -28.500 14.482 4.108 1.00 15.14 C ATOM 457 OE1 GLU A 30 -29.447 14.623 3.306 1.00 51.11 O ATOM 458 OE2 GLU A 30 -28.597 13.838 5.174 1.00 20.02 O ATOM 0 H GLU A 30 -25.358 13.201 4.527 1.00 22.02 H new ATOM 0 HA GLU A 30 -27.329 12.496 2.464 1.00 12.52 H new ATOM 0 HB2 GLU A 30 -25.489 14.897 2.471 1.00 72.42 H new ATOM 0 HB3 GLU A 30 -27.041 14.714 1.679 1.00 72.42 H new ATOM 0 HG2 GLU A 30 -26.514 15.068 4.643 1.00 41.34 H new ATOM 0 HG3 GLU A 30 -27.326 16.184 3.562 1.00 41.34 H new ATOM 465 N LYS A 31 -25.394 12.910 0.487 1.00 70.44 N ATOM 466 CA LYS A 31 -24.456 12.495 -0.549 1.00 61.34 C ATOM 467 C LYS A 31 -23.638 13.681 -1.049 1.00 53.14 C ATOM 468 O LYS A 31 -24.187 14.734 -1.373 1.00 54.42 O ATOM 469 CB LYS A 31 -25.206 11.851 -1.718 1.00 32.14 C ATOM 470 CG LYS A 31 -24.414 10.765 -2.425 1.00 53.25 C ATOM 471 CD LYS A 31 -25.314 9.878 -3.269 1.00 1.31 C ATOM 472 CE LYS A 31 -25.605 10.506 -4.623 1.00 62.02 C ATOM 473 NZ LYS A 31 -26.020 9.490 -5.629 1.00 21.24 N ATOM 0 H LYS A 31 -26.091 13.587 0.177 1.00 70.44 H new ATOM 0 HA LYS A 31 -23.775 11.763 -0.115 1.00 61.34 H new ATOM 0 HB2 LYS A 31 -26.140 11.426 -1.350 1.00 32.14 H new ATOM 0 HB3 LYS A 31 -25.470 12.624 -2.439 1.00 32.14 H new ATOM 0 HG2 LYS A 31 -23.654 11.222 -3.059 1.00 53.25 H new ATOM 0 HG3 LYS A 31 -23.890 10.157 -1.688 1.00 53.25 H new ATOM 0 HD2 LYS A 31 -24.839 8.907 -3.412 1.00 1.31 H new ATOM 0 HD3 LYS A 31 -26.251 9.700 -2.740 1.00 1.31 H new ATOM 0 HE2 LYS A 31 -26.392 11.253 -4.515 1.00 62.02 H new ATOM 0 HE3 LYS A 31 -24.717 11.028 -4.979 1.00 62.02 H new ATOM 0 HZ1 LYS A 31 -26.209 9.959 -6.538 1.00 21.24 H new ATOM 0 HZ2 LYS A 31 -25.259 8.792 -5.751 1.00 21.24 H new ATOM 0 HZ3 LYS A 31 -26.882 9.009 -5.302 1.00 21.24 H new ATOM 487 N PHE A 32 -22.323 13.503 -1.112 1.00 21.34 N ATOM 488 CA PHE A 32 -21.429 14.559 -1.573 1.00 1.41 C ATOM 489 C PHE A 32 -21.859 15.077 -2.942 1.00 74.22 C ATOM 490 O PHE A 32 -21.978 16.283 -3.153 1.00 11.21 O ATOM 491 CB PHE A 32 -19.989 14.045 -1.639 1.00 14.52 C ATOM 492 CG PHE A 32 -18.996 15.097 -2.040 1.00 45.31 C ATOM 493 CD1 PHE A 32 -18.841 15.452 -3.371 1.00 30.14 C ATOM 494 CD2 PHE A 32 -18.216 15.732 -1.086 1.00 41.33 C ATOM 495 CE1 PHE A 32 -17.926 16.419 -3.742 1.00 12.21 C ATOM 496 CE2 PHE A 32 -17.300 16.701 -1.453 1.00 23.24 C ATOM 497 CZ PHE A 32 -17.156 17.045 -2.782 1.00 45.42 C ATOM 0 H PHE A 32 -21.852 12.637 -0.850 1.00 21.34 H new ATOM 0 HA PHE A 32 -21.482 15.382 -0.860 1.00 1.41 H new ATOM 0 HB2 PHE A 32 -19.709 13.645 -0.664 1.00 14.52 H new ATOM 0 HB3 PHE A 32 -19.938 13.219 -2.349 1.00 14.52 H new ATOM 0 HD1 PHE A 32 -19.442 14.968 -4.126 1.00 30.14 H new ATOM 0 HD2 PHE A 32 -18.325 15.467 -0.045 1.00 41.33 H new ATOM 0 HE1 PHE A 32 -17.813 16.685 -4.783 1.00 12.21 H new ATOM 0 HE2 PHE A 32 -16.698 17.188 -0.700 1.00 23.24 H new ATOM 0 HZ PHE A 32 -16.442 17.802 -3.070 1.00 45.42 H new ATOM 507 N GLY A 33 -22.092 14.153 -3.871 1.00 54.42 N ATOM 508 CA GLY A 33 -22.506 14.535 -5.208 1.00 73.01 C ATOM 509 C GLY A 33 -23.770 15.371 -5.208 1.00 73.02 C ATOM 510 O GLY A 33 -23.936 16.260 -6.044 1.00 13.12 O ATOM 0 H GLY A 33 -22.001 13.148 -3.721 1.00 54.42 H new ATOM 0 HA2 GLY A 33 -21.703 15.096 -5.687 1.00 73.01 H new ATOM 0 HA3 GLY A 33 -22.668 13.638 -5.805 1.00 73.01 H new ATOM 514 N LYS A 34 -24.666 15.086 -4.268 1.00 1.32 N ATOM 515 CA LYS A 34 -25.923 15.818 -4.161 1.00 65.03 C ATOM 516 C LYS A 34 -25.669 17.314 -4.001 1.00 12.21 C ATOM 517 O LYS A 34 -26.524 18.137 -4.330 1.00 4.50 O ATOM 518 CB LYS A 34 -26.740 15.299 -2.977 1.00 64.33 C ATOM 519 CG LYS A 34 -28.238 15.472 -3.149 1.00 74.35 C ATOM 520 CD LYS A 34 -28.719 16.790 -2.567 1.00 4.31 C ATOM 521 CE LYS A 34 -30.149 16.687 -2.057 1.00 42.14 C ATOM 522 NZ LYS A 34 -30.521 17.854 -1.211 1.00 11.22 N ATOM 0 H LYS A 34 -24.545 14.353 -3.569 1.00 1.32 H new ATOM 0 HA LYS A 34 -26.487 15.659 -5.080 1.00 65.03 H new ATOM 0 HB2 LYS A 34 -26.519 14.242 -2.830 1.00 64.33 H new ATOM 0 HB3 LYS A 34 -26.424 15.819 -2.073 1.00 64.33 H new ATOM 0 HG2 LYS A 34 -28.491 15.428 -4.208 1.00 74.35 H new ATOM 0 HG3 LYS A 34 -28.758 14.647 -2.662 1.00 74.35 H new ATOM 0 HD2 LYS A 34 -28.062 17.090 -1.751 1.00 4.31 H new ATOM 0 HD3 LYS A 34 -28.658 17.568 -3.328 1.00 4.31 H new ATOM 0 HE2 LYS A 34 -30.832 16.619 -2.903 1.00 42.14 H new ATOM 0 HE3 LYS A 34 -30.264 15.769 -1.480 1.00 42.14 H new ATOM 0 HZ1 LYS A 34 -31.502 17.746 -0.883 1.00 11.22 H new ATOM 0 HZ2 LYS A 34 -29.885 17.904 -0.390 1.00 11.22 H new ATOM 0 HZ3 LYS A 34 -30.436 18.728 -1.768 1.00 11.22 H new ATOM 536 N LEU A 35 -24.490 17.658 -3.494 1.00 50.51 N ATOM 537 CA LEU A 35 -24.124 19.056 -3.291 1.00 70.42 C ATOM 538 C LEU A 35 -23.110 19.511 -4.336 1.00 71.33 C ATOM 539 O LEU A 35 -22.973 20.704 -4.604 1.00 72.05 O ATOM 540 CB LEU A 35 -23.549 19.254 -1.887 1.00 63.01 C ATOM 541 CG LEU A 35 -24.190 18.422 -0.775 1.00 52.53 C ATOM 542 CD1 LEU A 35 -23.586 18.778 0.573 1.00 1.31 C ATOM 543 CD2 LEU A 35 -25.698 18.628 -0.758 1.00 4.23 C ATOM 0 H LEU A 35 -23.772 16.989 -3.216 1.00 50.51 H new ATOM 0 HA LEU A 35 -25.025 19.661 -3.398 1.00 70.42 H new ATOM 0 HB2 LEU A 35 -22.484 19.025 -1.917 1.00 63.01 H new ATOM 0 HB3 LEU A 35 -23.641 20.308 -1.624 1.00 63.01 H new ATOM 0 HG LEU A 35 -23.989 17.369 -0.973 1.00 52.53 H new ATOM 0 HD11 LEU A 35 -24.054 18.176 1.352 1.00 1.31 H new ATOM 0 HD12 LEU A 35 -22.514 18.579 0.556 1.00 1.31 H new ATOM 0 HD13 LEU A 35 -23.755 19.835 0.780 1.00 1.31 H new ATOM 0 HD21 LEU A 35 -26.138 18.029 0.039 1.00 4.23 H new ATOM 0 HD22 LEU A 35 -25.919 19.681 -0.585 1.00 4.23 H new ATOM 0 HD23 LEU A 35 -26.118 18.322 -1.716 1.00 4.23 H new ATOM 555 N ALA A 36 -22.405 18.551 -4.925 1.00 72.44 N ATOM 556 CA ALA A 36 -21.407 18.852 -5.945 1.00 12.41 C ATOM 557 C ALA A 36 -22.068 19.160 -7.285 1.00 4.24 C ATOM 558 O ALA A 36 -21.449 19.746 -8.174 1.00 44.51 O ATOM 559 CB ALA A 36 -20.433 17.692 -6.090 1.00 1.33 C ATOM 0 H ALA A 36 -22.506 17.558 -4.714 1.00 72.44 H new ATOM 0 HA ALA A 36 -20.856 19.737 -5.628 1.00 12.41 H new ATOM 0 HB1 ALA A 36 -19.694 17.931 -6.855 1.00 1.33 H new ATOM 0 HB2 ALA A 36 -19.929 17.519 -5.139 1.00 1.33 H new ATOM 0 HB3 ALA A 36 -20.978 16.794 -6.380 1.00 1.33 H new ATOM 565 N LYS A 37 -23.328 18.762 -7.423 1.00 61.04 N ATOM 566 CA LYS A 37 -24.073 18.996 -8.655 1.00 11.10 C ATOM 567 C LYS A 37 -24.882 20.287 -8.564 1.00 45.32 C ATOM 568 O LYS A 37 -25.618 20.634 -9.487 1.00 4.42 O ATOM 569 CB LYS A 37 -25.006 17.817 -8.943 1.00 12.44 C ATOM 570 CG LYS A 37 -25.630 17.860 -10.326 1.00 61.35 C ATOM 571 CD LYS A 37 -27.123 18.129 -10.256 1.00 53.55 C ATOM 572 CE LYS A 37 -27.910 16.852 -10.006 1.00 12.30 C ATOM 573 NZ LYS A 37 -29.145 17.107 -9.216 1.00 13.32 N ATOM 0 H LYS A 37 -23.855 18.276 -6.697 1.00 61.04 H new ATOM 0 HA LYS A 37 -23.357 19.093 -9.471 1.00 11.10 H new ATOM 0 HB2 LYS A 37 -24.447 16.887 -8.834 1.00 12.44 H new ATOM 0 HB3 LYS A 37 -25.799 17.801 -8.196 1.00 12.44 H new ATOM 0 HG2 LYS A 37 -25.147 18.636 -10.920 1.00 61.35 H new ATOM 0 HG3 LYS A 37 -25.454 16.913 -10.835 1.00 61.35 H new ATOM 0 HD2 LYS A 37 -27.327 18.845 -9.460 1.00 53.55 H new ATOM 0 HD3 LYS A 37 -27.455 18.585 -11.188 1.00 53.55 H new ATOM 0 HE2 LYS A 37 -28.177 16.397 -10.960 1.00 12.30 H new ATOM 0 HE3 LYS A 37 -27.282 16.136 -9.476 1.00 12.30 H new ATOM 0 HZ1 LYS A 37 -29.653 16.212 -9.067 1.00 13.32 H new ATOM 0 HZ2 LYS A 37 -28.890 17.517 -8.295 1.00 13.32 H new ATOM 0 HZ3 LYS A 37 -29.757 17.770 -9.733 1.00 13.32 H new ATOM 587 N GLU A 38 -24.736 20.994 -7.448 1.00 65.33 N ATOM 588 CA GLU A 38 -25.452 22.247 -7.239 1.00 54.21 C ATOM 589 C GLU A 38 -24.503 23.345 -6.771 1.00 50.52 C ATOM 590 O GLU A 38 -24.426 24.416 -7.375 1.00 51.15 O ATOM 591 CB GLU A 38 -26.572 22.055 -6.215 1.00 73.22 C ATOM 592 CG GLU A 38 -26.320 20.915 -5.243 1.00 25.00 C ATOM 593 CD GLU A 38 -27.396 20.804 -4.180 1.00 43.52 C ATOM 594 OE1 GLU A 38 -28.585 20.698 -4.550 1.00 23.00 O ATOM 595 OE2 GLU A 38 -27.051 20.824 -2.980 1.00 65.34 O ATOM 0 H GLU A 38 -24.129 20.721 -6.675 1.00 65.33 H new ATOM 0 HA GLU A 38 -25.888 22.550 -8.191 1.00 54.21 H new ATOM 0 HB2 GLU A 38 -26.700 22.979 -5.652 1.00 73.22 H new ATOM 0 HB3 GLU A 38 -27.508 21.871 -6.743 1.00 73.22 H new ATOM 0 HG2 GLU A 38 -26.263 19.977 -5.796 1.00 25.00 H new ATOM 0 HG3 GLU A 38 -25.353 21.060 -4.762 1.00 25.00 H new ATOM 602 N LEU A 39 -23.781 23.074 -5.689 1.00 61.41 N ATOM 603 CA LEU A 39 -22.836 24.038 -5.138 1.00 3.22 C ATOM 604 C LEU A 39 -21.685 24.287 -6.106 1.00 44.31 C ATOM 605 O LEU A 39 -21.358 25.432 -6.417 1.00 52.42 O ATOM 606 CB LEU A 39 -22.291 23.539 -3.798 1.00 53.23 C ATOM 607 CG LEU A 39 -23.321 23.344 -2.685 1.00 72.12 C ATOM 608 CD1 LEU A 39 -22.678 22.696 -1.469 1.00 34.21 C ATOM 609 CD2 LEU A 39 -23.958 24.674 -2.309 1.00 32.03 C ATOM 0 H LEU A 39 -23.832 22.194 -5.176 1.00 61.41 H new ATOM 0 HA LEU A 39 -23.365 24.978 -4.981 1.00 3.22 H new ATOM 0 HB2 LEU A 39 -21.783 22.589 -3.966 1.00 53.23 H new ATOM 0 HB3 LEU A 39 -21.538 24.246 -3.449 1.00 53.23 H new ATOM 0 HG LEU A 39 -24.103 22.680 -3.053 1.00 72.12 H new ATOM 0 HD11 LEU A 39 -23.427 22.565 -0.688 1.00 34.21 H new ATOM 0 HD12 LEU A 39 -22.271 21.724 -1.747 1.00 34.21 H new ATOM 0 HD13 LEU A 39 -21.875 23.333 -1.099 1.00 34.21 H new ATOM 0 HD21 LEU A 39 -24.688 24.516 -1.516 1.00 32.03 H new ATOM 0 HD22 LEU A 39 -23.187 25.361 -1.961 1.00 32.03 H new ATOM 0 HD23 LEU A 39 -24.456 25.099 -3.181 1.00 32.03 H new ATOM 621 N SER A 40 -21.074 23.206 -6.582 1.00 43.11 N ATOM 622 CA SER A 40 -19.957 23.308 -7.515 1.00 41.22 C ATOM 623 C SER A 40 -20.315 24.208 -8.694 1.00 23.03 C ATOM 624 O SER A 40 -21.046 23.804 -9.598 1.00 10.32 O ATOM 625 CB SER A 40 -19.561 21.919 -8.021 1.00 2.40 C ATOM 626 OG SER A 40 -18.156 21.816 -8.176 1.00 61.13 O ATOM 0 H SER A 40 -21.333 22.250 -6.337 1.00 43.11 H new ATOM 0 HA SER A 40 -19.112 23.750 -6.987 1.00 41.22 H new ATOM 0 HB2 SER A 40 -19.910 21.160 -7.321 1.00 2.40 H new ATOM 0 HB3 SER A 40 -20.051 21.722 -8.975 1.00 2.40 H new ATOM 0 HG SER A 40 -17.936 21.756 -9.129 1.00 61.13 H new ATOM 632 N ILE A 41 -19.792 25.430 -8.676 1.00 51.12 N ATOM 633 CA ILE A 41 -20.055 26.387 -9.743 1.00 44.44 C ATOM 634 C ILE A 41 -19.277 26.032 -11.006 1.00 25.03 C ATOM 635 O ILE A 41 -19.642 26.438 -12.108 1.00 45.35 O ATOM 636 CB ILE A 41 -19.689 27.822 -9.316 1.00 32.31 C ATOM 637 CG1 ILE A 41 -18.244 27.875 -8.815 1.00 54.35 C ATOM 638 CG2 ILE A 41 -20.646 28.314 -8.240 1.00 74.15 C ATOM 639 CD1 ILE A 41 -17.562 29.199 -9.078 1.00 54.52 C ATOM 0 H ILE A 41 -19.185 25.780 -7.935 1.00 51.12 H new ATOM 0 HA ILE A 41 -21.124 26.339 -9.952 1.00 44.44 H new ATOM 0 HB ILE A 41 -19.778 28.477 -10.182 1.00 32.31 H new ATOM 0 HG12 ILE A 41 -18.232 27.676 -7.743 1.00 54.35 H new ATOM 0 HG13 ILE A 41 -17.673 27.080 -9.294 1.00 54.35 H new ATOM 0 HG21 ILE A 41 -20.375 29.329 -7.948 1.00 74.15 H new ATOM 0 HG22 ILE A 41 -21.664 28.308 -8.628 1.00 74.15 H new ATOM 0 HG23 ILE A 41 -20.585 27.658 -7.371 1.00 74.15 H new ATOM 0 HD11 ILE A 41 -16.541 29.165 -8.697 1.00 54.52 H new ATOM 0 HD12 ILE A 41 -17.542 29.391 -10.151 1.00 54.52 H new ATOM 0 HD13 ILE A 41 -18.110 29.997 -8.576 1.00 54.52 H new ATOM 651 N ASP A 42 -18.202 25.269 -10.835 1.00 23.31 N ATOM 652 CA ASP A 42 -17.372 24.854 -11.961 1.00 54.23 C ATOM 653 C ASP A 42 -18.183 24.035 -12.961 1.00 45.11 C ATOM 654 O ASP A 42 -18.572 22.902 -12.679 1.00 64.33 O ATOM 655 CB ASP A 42 -16.175 24.041 -11.468 1.00 22.44 C ATOM 656 CG ASP A 42 -15.331 23.504 -12.607 1.00 32.31 C ATOM 657 OD1 ASP A 42 -15.402 24.071 -13.717 1.00 42.12 O ATOM 658 OD2 ASP A 42 -14.599 22.516 -12.387 1.00 50.31 O ATOM 0 H ASP A 42 -17.885 24.926 -9.928 1.00 23.31 H new ATOM 0 HA ASP A 42 -17.009 25.751 -12.463 1.00 54.23 H new ATOM 0 HB2 ASP A 42 -15.556 24.666 -10.824 1.00 22.44 H new ATOM 0 HB3 ASP A 42 -16.530 23.209 -10.859 1.00 22.44 H new ATOM 663 N SER A 43 -18.434 24.617 -14.129 1.00 13.21 N ATOM 664 CA SER A 43 -19.202 23.942 -15.169 1.00 54.52 C ATOM 665 C SER A 43 -18.639 22.551 -15.444 1.00 52.44 C ATOM 666 O SER A 43 -19.381 21.620 -15.752 1.00 21.43 O ATOM 667 CB SER A 43 -19.197 24.771 -16.455 1.00 54.52 C ATOM 668 OG SER A 43 -20.031 25.911 -16.331 1.00 3.10 O ATOM 0 H SER A 43 -18.117 25.554 -14.379 1.00 13.21 H new ATOM 0 HA SER A 43 -20.228 23.836 -14.818 1.00 54.52 H new ATOM 0 HB2 SER A 43 -18.179 25.085 -16.685 1.00 54.52 H new ATOM 0 HB3 SER A 43 -19.537 24.157 -17.289 1.00 54.52 H new ATOM 0 HG SER A 43 -20.009 26.425 -17.165 1.00 3.10 H new ATOM 674 N GLY A 44 -17.321 22.421 -15.333 1.00 22.13 N ATOM 675 CA GLY A 44 -16.679 21.141 -15.573 1.00 54.13 C ATOM 676 C GLY A 44 -16.527 20.322 -14.307 1.00 4.14 C ATOM 677 O GLY A 44 -15.448 19.804 -14.021 1.00 23.02 O ATOM 0 H GLY A 44 -16.686 23.179 -15.081 1.00 22.13 H new ATOM 0 HA2 GLY A 44 -17.263 20.576 -16.300 1.00 54.13 H new ATOM 0 HA3 GLY A 44 -15.696 21.308 -16.014 1.00 54.13 H new ATOM 681 N SER A 45 -17.610 20.206 -13.545 1.00 65.21 N ATOM 682 CA SER A 45 -17.590 19.448 -12.299 1.00 50.41 C ATOM 683 C SER A 45 -19.008 19.127 -11.836 1.00 13.32 C ATOM 684 O SER A 45 -19.299 18.005 -11.423 1.00 45.25 O ATOM 685 CB SER A 45 -16.852 20.233 -11.213 1.00 33.21 C ATOM 686 OG SER A 45 -17.680 21.240 -10.658 1.00 53.23 O ATOM 0 H SER A 45 -18.512 20.627 -13.768 1.00 65.21 H new ATOM 0 HA SER A 45 -17.065 18.510 -12.480 1.00 50.41 H new ATOM 0 HB2 SER A 45 -16.525 19.552 -10.427 1.00 33.21 H new ATOM 0 HB3 SER A 45 -15.955 20.687 -11.634 1.00 33.21 H new ATOM 0 HG SER A 45 -18.010 21.823 -11.373 1.00 53.23 H new ATOM 692 N ALA A 46 -19.886 20.122 -11.908 1.00 14.24 N ATOM 693 CA ALA A 46 -21.275 19.946 -11.499 1.00 45.52 C ATOM 694 C ALA A 46 -21.953 18.852 -12.316 1.00 3.43 C ATOM 695 O ALA A 46 -22.991 18.321 -11.919 1.00 43.14 O ATOM 696 CB ALA A 46 -22.034 21.258 -11.634 1.00 33.40 C ATOM 0 H ALA A 46 -19.661 21.058 -12.245 1.00 14.24 H new ATOM 0 HA ALA A 46 -21.285 19.639 -10.453 1.00 45.52 H new ATOM 0 HB1 ALA A 46 -23.069 21.113 -11.326 1.00 33.40 H new ATOM 0 HB2 ALA A 46 -21.569 22.014 -11.001 1.00 33.40 H new ATOM 0 HB3 ALA A 46 -22.008 21.588 -12.672 1.00 33.40 H new ATOM 702 N LYS A 47 -21.362 18.519 -13.457 1.00 41.31 N ATOM 703 CA LYS A 47 -21.908 17.488 -14.331 1.00 61.33 C ATOM 704 C LYS A 47 -21.439 16.102 -13.896 1.00 53.45 C ATOM 705 O LYS A 47 -22.060 15.093 -14.230 1.00 2.14 O ATOM 706 CB LYS A 47 -21.494 17.746 -15.781 1.00 12.30 C ATOM 707 CG LYS A 47 -21.877 16.625 -16.732 1.00 5.52 C ATOM 708 CD LYS A 47 -23.383 16.424 -16.780 1.00 4.51 C ATOM 709 CE LYS A 47 -23.780 15.452 -17.881 1.00 30.01 C ATOM 710 NZ LYS A 47 -23.267 14.079 -17.620 1.00 24.02 N ATOM 0 H LYS A 47 -20.503 18.949 -13.799 1.00 41.31 H new ATOM 0 HA LYS A 47 -22.995 17.525 -14.259 1.00 61.33 H new ATOM 0 HB2 LYS A 47 -21.954 18.673 -16.122 1.00 12.30 H new ATOM 0 HB3 LYS A 47 -20.415 17.892 -15.821 1.00 12.30 H new ATOM 0 HG2 LYS A 47 -21.507 16.853 -17.732 1.00 5.52 H new ATOM 0 HG3 LYS A 47 -21.395 15.699 -16.417 1.00 5.52 H new ATOM 0 HD2 LYS A 47 -23.732 16.048 -15.818 1.00 4.51 H new ATOM 0 HD3 LYS A 47 -23.874 17.383 -16.945 1.00 4.51 H new ATOM 0 HE2 LYS A 47 -24.866 15.424 -17.966 1.00 30.01 H new ATOM 0 HE3 LYS A 47 -23.395 15.808 -18.836 1.00 30.01 H new ATOM 0 HZ1 LYS A 47 -23.601 13.436 -18.366 1.00 24.02 H new ATOM 0 HZ2 LYS A 47 -22.227 14.092 -17.614 1.00 24.02 H new ATOM 0 HZ3 LYS A 47 -23.614 13.748 -16.697 1.00 24.02 H new ATOM 724 N LYS A 48 -20.340 16.062 -13.151 1.00 21.24 N ATOM 725 CA LYS A 48 -19.788 14.802 -12.668 1.00 34.11 C ATOM 726 C LYS A 48 -19.802 14.750 -11.143 1.00 54.25 C ATOM 727 O LYS A 48 -18.975 14.080 -10.528 1.00 64.25 O ATOM 728 CB LYS A 48 -18.359 14.617 -13.183 1.00 21.44 C ATOM 729 CG LYS A 48 -17.514 15.876 -13.098 1.00 11.11 C ATOM 730 CD LYS A 48 -17.627 16.708 -14.364 1.00 5.52 C ATOM 731 CE LYS A 48 -16.257 17.033 -14.940 1.00 65.04 C ATOM 732 NZ LYS A 48 -15.687 15.883 -15.696 1.00 52.33 N ATOM 0 H LYS A 48 -19.813 16.889 -12.868 1.00 21.24 H new ATOM 0 HA LYS A 48 -20.412 13.992 -13.047 1.00 34.11 H new ATOM 0 HB2 LYS A 48 -17.875 13.825 -12.611 1.00 21.44 H new ATOM 0 HB3 LYS A 48 -18.396 14.284 -14.220 1.00 21.44 H new ATOM 0 HG2 LYS A 48 -17.830 16.471 -12.241 1.00 11.11 H new ATOM 0 HG3 LYS A 48 -16.471 15.605 -12.931 1.00 11.11 H new ATOM 0 HD2 LYS A 48 -18.216 16.167 -15.105 1.00 5.52 H new ATOM 0 HD3 LYS A 48 -18.161 17.633 -14.146 1.00 5.52 H new ATOM 0 HE2 LYS A 48 -16.336 17.898 -15.599 1.00 65.04 H new ATOM 0 HE3 LYS A 48 -15.579 17.308 -14.132 1.00 65.04 H new ATOM 0 HZ1 LYS A 48 -14.753 16.144 -16.073 1.00 52.33 H new ATOM 0 HZ2 LYS A 48 -15.588 15.065 -15.061 1.00 52.33 H new ATOM 0 HZ3 LYS A 48 -16.321 15.636 -16.483 1.00 52.33 H new ATOM 746 N ASN A 49 -20.748 15.462 -10.541 1.00 12.43 N ATOM 747 CA ASN A 49 -20.870 15.496 -9.088 1.00 52.21 C ATOM 748 C ASN A 49 -19.531 15.831 -8.437 1.00 52.52 C ATOM 749 O ASN A 49 -19.234 15.378 -7.334 1.00 32.41 O ATOM 750 CB ASN A 49 -21.380 14.151 -8.566 1.00 1.23 C ATOM 751 CG ASN A 49 -22.829 13.900 -8.937 1.00 30.44 C ATOM 752 OD1 ASN A 49 -23.127 13.063 -9.789 1.00 61.31 O ATOM 753 ND2 ASN A 49 -23.738 14.625 -8.296 1.00 51.35 N ATOM 0 H ASN A 49 -21.441 16.023 -11.036 1.00 12.43 H new ATOM 0 HA ASN A 49 -21.586 16.275 -8.827 1.00 52.21 H new ATOM 0 HB2 ASN A 49 -20.760 13.349 -8.968 1.00 1.23 H new ATOM 0 HB3 ASN A 49 -21.275 14.121 -7.481 1.00 1.23 H new ATOM 0 HD21 ASN A 49 -24.729 14.499 -8.503 1.00 51.35 H new ATOM 0 HD22 ASN A 49 -23.445 15.308 -7.597 1.00 51.35 H new ATOM 760 N GLY A 50 -18.727 16.632 -9.131 1.00 72.32 N ATOM 761 CA GLY A 50 -17.430 17.016 -8.606 1.00 1.14 C ATOM 762 C GLY A 50 -16.566 15.818 -8.261 1.00 1.20 C ATOM 763 O GLY A 50 -15.648 15.919 -7.449 1.00 1.51 O ATOM 0 H GLY A 50 -18.951 17.021 -10.047 1.00 72.32 H new ATOM 0 HA2 GLY A 50 -16.913 17.634 -9.340 1.00 1.14 H new ATOM 0 HA3 GLY A 50 -17.569 17.629 -7.715 1.00 1.14 H new ATOM 767 N ASN A 51 -16.862 14.680 -8.880 1.00 32.14 N ATOM 768 CA ASN A 51 -16.108 13.456 -8.633 1.00 5.14 C ATOM 769 C ASN A 51 -15.034 13.256 -9.698 1.00 33.20 C ATOM 770 O ASN A 51 -15.214 12.480 -10.637 1.00 63.22 O ATOM 771 CB ASN A 51 -17.047 12.249 -8.605 1.00 52.12 C ATOM 772 CG ASN A 51 -16.511 11.117 -7.750 1.00 5.50 C ATOM 773 OD1 ASN A 51 -16.434 9.971 -8.194 1.00 51.53 O ATOM 774 ND2 ASN A 51 -16.135 11.435 -6.517 1.00 65.05 N ATOM 0 H ASN A 51 -17.619 14.580 -9.556 1.00 32.14 H new ATOM 0 HA ASN A 51 -15.620 13.549 -7.663 1.00 5.14 H new ATOM 0 HB2 ASN A 51 -18.020 12.558 -8.224 1.00 52.12 H new ATOM 0 HB3 ASN A 51 -17.202 11.890 -9.622 1.00 52.12 H new ATOM 0 HD21 ASN A 51 -15.764 10.716 -5.895 1.00 65.05 H new ATOM 0 HD22 ASN A 51 -16.217 12.398 -6.191 1.00 65.05 H new ATOM 781 N LEU A 52 -13.917 13.959 -9.544 1.00 71.11 N ATOM 782 CA LEU A 52 -12.813 13.857 -10.491 1.00 53.34 C ATOM 783 C LEU A 52 -12.212 12.455 -10.480 1.00 12.30 C ATOM 784 O LEU A 52 -11.474 12.078 -11.389 1.00 71.42 O ATOM 785 CB LEU A 52 -11.734 14.890 -10.160 1.00 30.33 C ATOM 786 CG LEU A 52 -11.229 14.892 -8.717 1.00 32.01 C ATOM 787 CD1 LEU A 52 -10.134 13.853 -8.533 1.00 10.12 C ATOM 788 CD2 LEU A 52 -10.726 16.275 -8.330 1.00 65.35 C ATOM 0 H LEU A 52 -13.752 14.605 -8.772 1.00 71.11 H new ATOM 0 HA LEU A 52 -13.204 14.056 -11.489 1.00 53.34 H new ATOM 0 HB2 LEU A 52 -10.884 14.723 -10.821 1.00 30.33 H new ATOM 0 HB3 LEU A 52 -12.126 15.881 -10.388 1.00 30.33 H new ATOM 0 HG LEU A 52 -12.060 14.633 -8.061 1.00 32.01 H new ATOM 0 HD11 LEU A 52 -9.787 13.869 -7.500 1.00 10.12 H new ATOM 0 HD12 LEU A 52 -10.528 12.864 -8.768 1.00 10.12 H new ATOM 0 HD13 LEU A 52 -9.301 14.080 -9.199 1.00 10.12 H new ATOM 0 HD21 LEU A 52 -10.370 16.258 -7.300 1.00 65.35 H new ATOM 0 HD22 LEU A 52 -9.909 16.563 -8.991 1.00 65.35 H new ATOM 0 HD23 LEU A 52 -11.538 16.996 -8.421 1.00 65.35 H new ATOM 800 N GLY A 53 -12.537 11.687 -9.445 1.00 22.41 N ATOM 801 CA GLY A 53 -12.022 10.334 -9.336 1.00 32.24 C ATOM 802 C GLY A 53 -10.578 10.298 -8.877 1.00 71.22 C ATOM 803 O GLY A 53 -10.224 10.915 -7.872 1.00 24.21 O ATOM 0 H GLY A 53 -13.147 11.977 -8.681 1.00 22.41 H new ATOM 0 HA2 GLY A 53 -12.637 9.770 -8.635 1.00 32.24 H new ATOM 0 HA3 GLY A 53 -12.105 9.838 -10.303 1.00 32.24 H new ATOM 807 N TYR A 54 -9.743 9.573 -9.612 1.00 74.52 N ATOM 808 CA TYR A 54 -8.331 9.455 -9.272 1.00 44.22 C ATOM 809 C TYR A 54 -7.520 10.577 -9.914 1.00 73.55 C ATOM 810 O TYR A 54 -7.694 10.886 -11.094 1.00 42.32 O ATOM 811 CB TYR A 54 -7.787 8.098 -9.722 1.00 72.52 C ATOM 812 CG TYR A 54 -7.732 7.070 -8.613 1.00 52.43 C ATOM 813 CD1 TYR A 54 -8.774 6.945 -7.702 1.00 70.25 C ATOM 814 CD2 TYR A 54 -6.637 6.224 -8.478 1.00 53.43 C ATOM 815 CE1 TYR A 54 -8.726 6.009 -6.688 1.00 33.21 C ATOM 816 CE2 TYR A 54 -6.583 5.285 -7.467 1.00 64.44 C ATOM 817 CZ TYR A 54 -7.629 5.181 -6.575 1.00 73.51 C ATOM 818 OH TYR A 54 -7.579 4.246 -5.566 1.00 64.15 O ATOM 0 H TYR A 54 -10.020 9.058 -10.448 1.00 74.52 H new ATOM 0 HA TYR A 54 -8.237 9.536 -8.189 1.00 44.22 H new ATOM 0 HB2 TYR A 54 -8.411 7.716 -10.530 1.00 72.52 H new ATOM 0 HB3 TYR A 54 -6.785 8.234 -10.130 1.00 72.52 H new ATOM 0 HD1 TYR A 54 -9.635 7.591 -7.789 1.00 70.25 H new ATOM 0 HD2 TYR A 54 -5.816 6.302 -9.175 1.00 53.43 H new ATOM 0 HE1 TYR A 54 -9.543 5.926 -5.987 1.00 33.21 H new ATOM 0 HE2 TYR A 54 -5.725 4.635 -7.375 1.00 64.44 H new ATOM 0 HH TYR A 54 -6.740 3.743 -5.627 1.00 64.15 H new ATOM 828 N PHE A 55 -6.635 11.182 -9.130 1.00 52.44 N ATOM 829 CA PHE A 55 -5.797 12.271 -9.620 1.00 72.24 C ATOM 830 C PHE A 55 -4.359 12.110 -9.137 1.00 50.23 C ATOM 831 O PHE A 55 -4.026 11.143 -8.453 1.00 64.53 O ATOM 832 CB PHE A 55 -6.355 13.619 -9.160 1.00 1.22 C ATOM 833 CG PHE A 55 -5.816 14.068 -7.832 1.00 22.14 C ATOM 834 CD1 PHE A 55 -5.886 13.239 -6.725 1.00 32.34 C ATOM 835 CD2 PHE A 55 -5.238 15.320 -7.690 1.00 72.33 C ATOM 836 CE1 PHE A 55 -5.391 13.650 -5.500 1.00 73.35 C ATOM 837 CE2 PHE A 55 -4.742 15.736 -6.470 1.00 11.13 C ATOM 838 CZ PHE A 55 -4.818 14.900 -5.374 1.00 61.11 C ATOM 0 H PHE A 55 -6.479 10.937 -8.152 1.00 52.44 H new ATOM 0 HA PHE A 55 -5.801 12.238 -10.709 1.00 72.24 H new ATOM 0 HB2 PHE A 55 -6.124 14.374 -9.911 1.00 1.22 H new ATOM 0 HB3 PHE A 55 -7.441 13.552 -9.099 1.00 1.22 H new ATOM 0 HD1 PHE A 55 -6.332 12.260 -6.819 1.00 32.34 H new ATOM 0 HD2 PHE A 55 -5.175 15.978 -8.544 1.00 72.33 H new ATOM 0 HE1 PHE A 55 -5.453 12.994 -4.644 1.00 73.35 H new ATOM 0 HE2 PHE A 55 -4.295 16.714 -6.373 1.00 11.13 H new ATOM 0 HZ PHE A 55 -4.430 15.223 -4.419 1.00 61.11 H new ATOM 848 N THR A 56 -3.510 13.066 -9.499 1.00 10.43 N ATOM 849 CA THR A 56 -2.107 13.032 -9.105 1.00 22.14 C ATOM 850 C THR A 56 -1.562 14.439 -8.885 1.00 1.00 C ATOM 851 O THR A 56 -2.283 15.425 -9.039 1.00 3.20 O ATOM 852 CB THR A 56 -1.244 12.319 -10.162 1.00 70.44 C ATOM 853 OG1 THR A 56 -1.112 13.143 -11.325 1.00 42.33 O ATOM 854 CG2 THR A 56 -1.857 10.982 -10.549 1.00 11.10 C ATOM 0 H THR A 56 -3.770 13.874 -10.065 1.00 10.43 H new ATOM 0 HA THR A 56 -2.056 12.476 -8.169 1.00 22.14 H new ATOM 0 HB THR A 56 -0.259 12.138 -9.732 1.00 70.44 H new ATOM 0 HG1 THR A 56 -0.560 12.683 -11.991 1.00 42.33 H new ATOM 0 HG21 THR A 56 -1.230 10.497 -11.297 1.00 11.10 H new ATOM 0 HG22 THR A 56 -1.928 10.345 -9.667 1.00 11.10 H new ATOM 0 HG23 THR A 56 -2.853 11.144 -10.961 1.00 11.10 H new ATOM 862 N LYS A 57 -0.286 14.525 -8.527 1.00 3.14 N ATOM 863 CA LYS A 57 0.358 15.812 -8.287 1.00 74.12 C ATOM 864 C LYS A 57 0.854 16.422 -9.595 1.00 22.44 C ATOM 865 O LYS A 57 1.755 15.885 -10.239 1.00 12.24 O ATOM 866 CB LYS A 57 1.525 15.648 -7.313 1.00 32.14 C ATOM 867 CG LYS A 57 1.196 14.781 -6.109 1.00 61.24 C ATOM 868 CD LYS A 57 2.062 15.136 -4.912 1.00 14.42 C ATOM 869 CE LYS A 57 1.952 14.089 -3.814 1.00 41.41 C ATOM 870 NZ LYS A 57 2.550 12.789 -4.227 1.00 74.53 N ATOM 0 H LYS A 57 0.324 13.718 -8.396 1.00 3.14 H new ATOM 0 HA LYS A 57 -0.380 16.484 -7.849 1.00 74.12 H new ATOM 0 HB2 LYS A 57 2.371 15.212 -7.844 1.00 32.14 H new ATOM 0 HB3 LYS A 57 1.839 16.633 -6.966 1.00 32.14 H new ATOM 0 HG2 LYS A 57 0.145 14.904 -5.848 1.00 61.24 H new ATOM 0 HG3 LYS A 57 1.340 13.731 -6.365 1.00 61.24 H new ATOM 0 HD2 LYS A 57 3.101 15.226 -5.228 1.00 14.42 H new ATOM 0 HD3 LYS A 57 1.762 16.108 -4.520 1.00 14.42 H new ATOM 0 HE2 LYS A 57 2.453 14.450 -2.916 1.00 41.41 H new ATOM 0 HE3 LYS A 57 0.903 13.941 -3.557 1.00 41.41 H new ATOM 0 HZ1 LYS A 57 2.750 12.215 -3.383 1.00 74.53 H new ATOM 0 HZ2 LYS A 57 1.883 12.280 -4.841 1.00 74.53 H new ATOM 0 HZ3 LYS A 57 3.435 12.963 -4.745 1.00 74.53 H new ATOM 884 N GLY A 58 0.262 17.549 -9.979 1.00 71.41 N ATOM 885 CA GLY A 58 0.658 18.213 -11.206 1.00 45.42 C ATOM 886 C GLY A 58 -0.490 18.357 -12.186 1.00 24.13 C ATOM 887 O GLY A 58 -0.282 18.706 -13.347 1.00 12.41 O ATOM 0 H GLY A 58 -0.485 18.013 -9.462 1.00 71.41 H new ATOM 0 HA2 GLY A 58 1.055 19.200 -10.969 1.00 45.42 H new ATOM 0 HA3 GLY A 58 1.464 17.650 -11.676 1.00 45.42 H new ATOM 891 N MET A 59 -1.703 18.084 -11.717 1.00 2.22 N ATOM 892 CA MET A 59 -2.888 18.184 -12.561 1.00 30.22 C ATOM 893 C MET A 59 -3.895 19.165 -11.970 1.00 22.23 C ATOM 894 O MET A 59 -4.972 19.375 -12.527 1.00 50.42 O ATOM 895 CB MET A 59 -3.537 16.809 -12.730 1.00 21.32 C ATOM 896 CG MET A 59 -2.730 15.859 -13.599 1.00 43.23 C ATOM 897 SD MET A 59 -3.229 15.908 -15.332 1.00 11.33 S ATOM 898 CE MET A 59 -4.105 14.353 -15.475 1.00 63.22 C ATOM 0 H MET A 59 -1.891 17.792 -10.758 1.00 2.22 H new ATOM 0 HA MET A 59 -2.578 18.554 -13.538 1.00 30.22 H new ATOM 0 HB2 MET A 59 -3.677 16.359 -11.747 1.00 21.32 H new ATOM 0 HB3 MET A 59 -4.528 16.935 -13.167 1.00 21.32 H new ATOM 0 HG2 MET A 59 -1.673 16.112 -13.522 1.00 43.23 H new ATOM 0 HG3 MET A 59 -2.843 14.843 -13.221 1.00 43.23 H new ATOM 0 HE1 MET A 59 -4.476 14.237 -16.493 1.00 63.22 H new ATOM 0 HE2 MET A 59 -3.429 13.531 -15.239 1.00 63.22 H new ATOM 0 HE3 MET A 59 -4.944 14.343 -14.780 1.00 63.22 H new ATOM 908 N MET A 60 -3.538 19.763 -10.837 1.00 30.43 N ATOM 909 CA MET A 60 -4.411 20.723 -10.172 1.00 34.41 C ATOM 910 C MET A 60 -3.642 21.983 -9.789 1.00 33.33 C ATOM 911 O MET A 60 -2.498 22.173 -10.199 1.00 65.53 O ATOM 912 CB MET A 60 -5.039 20.095 -8.925 1.00 25.52 C ATOM 913 CG MET A 60 -5.749 18.779 -9.199 1.00 50.32 C ATOM 914 SD MET A 60 -7.405 19.013 -9.874 1.00 74.21 S ATOM 915 CE MET A 60 -7.668 17.434 -10.679 1.00 45.23 C ATOM 0 H MET A 60 -2.651 19.599 -10.361 1.00 30.43 H new ATOM 0 HA MET A 60 -5.202 21.000 -10.868 1.00 34.41 H new ATOM 0 HB2 MET A 60 -4.261 19.930 -8.180 1.00 25.52 H new ATOM 0 HB3 MET A 60 -5.750 20.799 -8.493 1.00 25.52 H new ATOM 0 HG2 MET A 60 -5.156 18.189 -9.897 1.00 50.32 H new ATOM 0 HG3 MET A 60 -5.815 18.206 -8.274 1.00 50.32 H new ATOM 0 HE1 MET A 60 -8.653 17.423 -11.145 1.00 45.23 H new ATOM 0 HE2 MET A 60 -6.904 17.283 -11.441 1.00 45.23 H new ATOM 0 HE3 MET A 60 -7.607 16.635 -9.941 1.00 45.23 H new ATOM 925 N VAL A 61 -4.279 22.842 -8.999 1.00 21.40 N ATOM 926 CA VAL A 61 -3.653 24.083 -8.559 1.00 14.40 C ATOM 927 C VAL A 61 -3.066 23.938 -7.160 1.00 43.13 C ATOM 928 O VAL A 61 -3.340 22.966 -6.456 1.00 51.35 O ATOM 929 CB VAL A 61 -4.660 25.250 -8.563 1.00 10.21 C ATOM 930 CG1 VAL A 61 -5.323 25.380 -9.925 1.00 30.10 C ATOM 931 CG2 VAL A 61 -5.700 25.058 -7.470 1.00 31.11 C ATOM 0 H VAL A 61 -5.227 22.701 -8.651 1.00 21.40 H new ATOM 0 HA VAL A 61 -2.851 24.301 -9.264 1.00 14.40 H new ATOM 0 HB VAL A 61 -4.119 26.175 -8.361 1.00 10.21 H new ATOM 0 HG11 VAL A 61 -6.030 26.209 -9.908 1.00 30.10 H new ATOM 0 HG12 VAL A 61 -4.563 25.567 -10.683 1.00 30.10 H new ATOM 0 HG13 VAL A 61 -5.852 24.457 -10.162 1.00 30.10 H new ATOM 0 HG21 VAL A 61 -6.403 25.891 -7.487 1.00 31.11 H new ATOM 0 HG22 VAL A 61 -6.238 24.125 -7.639 1.00 31.11 H new ATOM 0 HG23 VAL A 61 -5.205 25.020 -6.500 1.00 31.11 H new ATOM 941 N LYS A 62 -2.254 24.912 -6.762 1.00 61.11 N ATOM 942 CA LYS A 62 -1.627 24.895 -5.445 1.00 44.22 C ATOM 943 C LYS A 62 -2.677 24.803 -4.343 1.00 53.33 C ATOM 944 O LYS A 62 -2.681 23.878 -3.531 1.00 45.15 O ATOM 945 CB LYS A 62 -0.773 26.150 -5.248 1.00 73.22 C ATOM 946 CG LYS A 62 -0.638 26.571 -3.796 1.00 24.13 C ATOM 947 CD LYS A 62 -0.001 25.476 -2.955 1.00 12.43 C ATOM 948 CE LYS A 62 -0.067 25.805 -1.471 1.00 34.41 C ATOM 949 NZ LYS A 62 -1.365 25.391 -0.868 1.00 65.55 N ATOM 0 H LYS A 62 -2.015 25.723 -7.332 1.00 61.11 H new ATOM 0 HA LYS A 62 -0.987 24.015 -5.386 1.00 44.22 H new ATOM 0 HB2 LYS A 62 0.220 25.972 -5.660 1.00 73.22 H new ATOM 0 HB3 LYS A 62 -1.211 26.970 -5.816 1.00 73.22 H new ATOM 0 HG2 LYS A 62 -0.035 27.477 -3.733 1.00 24.13 H new ATOM 0 HG3 LYS A 62 -1.621 26.815 -3.394 1.00 24.13 H new ATOM 0 HD2 LYS A 62 -0.509 24.530 -3.142 1.00 12.43 H new ATOM 0 HD3 LYS A 62 1.039 25.344 -3.254 1.00 12.43 H new ATOM 0 HE2 LYS A 62 0.751 25.305 -0.952 1.00 34.41 H new ATOM 0 HE3 LYS A 62 0.074 26.877 -1.330 1.00 34.41 H new ATOM 0 HZ1 LYS A 62 -1.878 26.233 -0.536 1.00 65.55 H new ATOM 0 HZ2 LYS A 62 -1.937 24.896 -1.582 1.00 65.55 H new ATOM 0 HZ3 LYS A 62 -1.187 24.755 -0.065 1.00 65.55 H new ATOM 963 N PRO A 63 -3.591 25.785 -4.313 1.00 70.44 N ATOM 964 CA PRO A 63 -4.665 25.835 -3.317 1.00 12.42 C ATOM 965 C PRO A 63 -5.704 24.739 -3.528 1.00 13.21 C ATOM 966 O PRO A 63 -6.908 24.996 -3.490 1.00 33.31 O ATOM 967 CB PRO A 63 -5.290 27.215 -3.539 1.00 25.10 C ATOM 968 CG PRO A 63 -4.983 27.546 -4.958 1.00 73.32 C ATOM 969 CD PRO A 63 -3.647 26.919 -5.250 1.00 52.03 C ATOM 0 HA PRO A 63 -4.290 25.679 -2.305 1.00 12.42 H new ATOM 0 HB2 PRO A 63 -6.365 27.196 -3.361 1.00 25.10 H new ATOM 0 HB3 PRO A 63 -4.867 27.955 -2.859 1.00 25.10 H new ATOM 0 HG2 PRO A 63 -5.752 27.155 -5.625 1.00 73.32 H new ATOM 0 HG3 PRO A 63 -4.949 28.625 -5.108 1.00 73.32 H new ATOM 0 HD2 PRO A 63 -3.576 26.588 -6.286 1.00 52.03 H new ATOM 0 HD3 PRO A 63 -2.829 27.620 -5.082 1.00 52.03 H new ATOM 977 N PHE A 64 -5.232 23.517 -3.750 1.00 1.22 N ATOM 978 CA PHE A 64 -6.121 22.382 -3.967 1.00 34.31 C ATOM 979 C PHE A 64 -5.355 21.065 -3.876 1.00 42.33 C ATOM 980 O PHE A 64 -5.668 20.209 -3.051 1.00 4.20 O ATOM 981 CB PHE A 64 -6.803 22.495 -5.333 1.00 3.14 C ATOM 982 CG PHE A 64 -7.698 21.332 -5.654 1.00 4.53 C ATOM 983 CD1 PHE A 64 -7.177 20.172 -6.204 1.00 11.33 C ATOM 984 CD2 PHE A 64 -9.059 21.399 -5.407 1.00 1.11 C ATOM 985 CE1 PHE A 64 -7.998 19.101 -6.500 1.00 45.25 C ATOM 986 CE2 PHE A 64 -9.885 20.331 -5.701 1.00 74.03 C ATOM 987 CZ PHE A 64 -9.353 19.180 -6.249 1.00 11.11 C ATOM 0 H PHE A 64 -4.239 23.287 -3.784 1.00 1.22 H new ATOM 0 HA PHE A 64 -6.882 22.394 -3.186 1.00 34.31 H new ATOM 0 HB2 PHE A 64 -7.389 23.413 -5.363 1.00 3.14 H new ATOM 0 HB3 PHE A 64 -6.039 22.579 -6.106 1.00 3.14 H new ATOM 0 HD1 PHE A 64 -6.118 20.104 -6.403 1.00 11.33 H new ATOM 0 HD2 PHE A 64 -9.480 22.297 -4.979 1.00 1.11 H new ATOM 0 HE1 PHE A 64 -7.580 18.202 -6.928 1.00 45.25 H new ATOM 0 HE2 PHE A 64 -10.945 20.396 -5.503 1.00 74.03 H new ATOM 0 HZ PHE A 64 -9.996 18.344 -6.481 1.00 11.11 H new ATOM 997 N GLU A 65 -4.349 20.913 -4.733 1.00 12.04 N ATOM 998 CA GLU A 65 -3.539 19.702 -4.750 1.00 63.41 C ATOM 999 C GLU A 65 -3.021 19.373 -3.353 1.00 33.53 C ATOM 1000 O GLU A 65 -3.096 18.228 -2.905 1.00 10.41 O ATOM 1001 CB GLU A 65 -2.363 19.861 -5.717 1.00 42.35 C ATOM 1002 CG GLU A 65 -1.387 18.697 -5.685 1.00 5.44 C ATOM 1003 CD GLU A 65 -0.227 18.882 -6.645 1.00 12.23 C ATOM 1004 OE1 GLU A 65 -0.477 19.241 -7.814 1.00 64.53 O ATOM 1005 OE2 GLU A 65 0.929 18.669 -6.225 1.00 5.24 O ATOM 0 H GLU A 65 -4.077 21.613 -5.423 1.00 12.04 H new ATOM 0 HA GLU A 65 -4.170 18.880 -5.088 1.00 63.41 H new ATOM 0 HB2 GLU A 65 -2.749 19.973 -6.730 1.00 42.35 H new ATOM 0 HB3 GLU A 65 -1.828 20.780 -5.477 1.00 42.35 H new ATOM 0 HG2 GLU A 65 -1.001 18.579 -4.673 1.00 5.44 H new ATOM 0 HG3 GLU A 65 -1.916 17.777 -5.933 1.00 5.44 H new ATOM 1012 N ASP A 66 -2.496 20.384 -2.670 1.00 65.42 N ATOM 1013 CA ASP A 66 -1.965 20.203 -1.324 1.00 54.01 C ATOM 1014 C ASP A 66 -3.006 19.559 -0.412 1.00 73.05 C ATOM 1015 O ASP A 66 -2.721 18.579 0.276 1.00 4.51 O ATOM 1016 CB ASP A 66 -1.523 21.547 -0.743 1.00 24.43 C ATOM 1017 CG ASP A 66 -0.959 21.414 0.658 1.00 11.42 C ATOM 1018 OD1 ASP A 66 0.128 20.820 0.807 1.00 24.21 O ATOM 1019 OD2 ASP A 66 -1.605 21.907 1.606 1.00 34.12 O ATOM 0 H ASP A 66 -2.427 21.337 -3.026 1.00 65.42 H new ATOM 0 HA ASP A 66 -1.102 19.541 -1.386 1.00 54.01 H new ATOM 0 HB2 ASP A 66 -0.770 21.991 -1.394 1.00 24.43 H new ATOM 0 HB3 ASP A 66 -2.373 22.230 -0.726 1.00 24.43 H new ATOM 1024 N ALA A 67 -4.212 20.117 -0.412 1.00 10.13 N ATOM 1025 CA ALA A 67 -5.295 19.597 0.414 1.00 44.15 C ATOM 1026 C ALA A 67 -6.186 18.650 -0.382 1.00 25.03 C ATOM 1027 O ALA A 67 -7.395 18.586 -0.160 1.00 65.22 O ATOM 1028 CB ALA A 67 -6.117 20.742 0.987 1.00 30.42 C ATOM 0 H ALA A 67 -4.464 20.929 -0.975 1.00 10.13 H new ATOM 0 HA ALA A 67 -4.854 19.033 1.236 1.00 44.15 H new ATOM 0 HB1 ALA A 67 -6.922 20.340 1.602 1.00 30.42 H new ATOM 0 HB2 ALA A 67 -5.477 21.379 1.598 1.00 30.42 H new ATOM 0 HB3 ALA A 67 -6.541 21.329 0.172 1.00 30.42 H new ATOM 1034 N ALA A 68 -5.581 17.916 -1.311 1.00 31.34 N ATOM 1035 CA ALA A 68 -6.320 16.971 -2.138 1.00 44.24 C ATOM 1036 C ALA A 68 -5.948 15.532 -1.795 1.00 4.30 C ATOM 1037 O ALA A 68 -6.683 14.597 -2.113 1.00 61.05 O ATOM 1038 CB ALA A 68 -6.062 17.247 -3.612 1.00 74.21 C ATOM 0 H ALA A 68 -4.581 17.958 -1.509 1.00 31.34 H new ATOM 0 HA ALA A 68 -7.383 17.102 -1.935 1.00 44.24 H new ATOM 0 HB1 ALA A 68 -6.620 16.534 -4.219 1.00 74.21 H new ATOM 0 HB2 ALA A 68 -6.384 18.260 -3.854 1.00 74.21 H new ATOM 0 HB3 ALA A 68 -4.997 17.145 -3.820 1.00 74.21 H new ATOM 1044 N PHE A 69 -4.801 15.362 -1.144 1.00 33.10 N ATOM 1045 CA PHE A 69 -4.331 14.037 -0.758 1.00 72.03 C ATOM 1046 C PHE A 69 -3.843 14.032 0.687 1.00 62.24 C ATOM 1047 O PHE A 69 -3.277 13.045 1.160 1.00 14.13 O ATOM 1048 CB PHE A 69 -3.206 13.581 -1.690 1.00 53.02 C ATOM 1049 CG PHE A 69 -2.219 14.666 -2.014 1.00 74.21 C ATOM 1050 CD1 PHE A 69 -1.500 15.289 -1.007 1.00 10.40 C ATOM 1051 CD2 PHE A 69 -2.009 15.061 -3.326 1.00 13.22 C ATOM 1052 CE1 PHE A 69 -0.593 16.289 -1.302 1.00 25.12 C ATOM 1053 CE2 PHE A 69 -1.103 16.060 -3.627 1.00 24.12 C ATOM 1054 CZ PHE A 69 -0.392 16.673 -2.614 1.00 4.22 C ATOM 0 H PHE A 69 -4.181 16.125 -0.873 1.00 33.10 H new ATOM 0 HA PHE A 69 -5.168 13.343 -0.842 1.00 72.03 H new ATOM 0 HB2 PHE A 69 -2.678 12.747 -1.228 1.00 53.02 H new ATOM 0 HB3 PHE A 69 -3.642 13.208 -2.617 1.00 53.02 H new ATOM 0 HD1 PHE A 69 -1.650 14.990 0.020 1.00 10.40 H new ATOM 0 HD2 PHE A 69 -2.560 14.582 -4.122 1.00 13.22 H new ATOM 0 HE1 PHE A 69 -0.042 16.770 -0.508 1.00 25.12 H new ATOM 0 HE2 PHE A 69 -0.951 16.361 -4.653 1.00 24.12 H new ATOM 0 HZ PHE A 69 0.320 17.451 -2.847 1.00 4.22 H new ATOM 1064 N LYS A 70 -4.063 15.141 1.384 1.00 51.44 N ATOM 1065 CA LYS A 70 -3.647 15.267 2.775 1.00 42.34 C ATOM 1066 C LYS A 70 -4.808 14.970 3.719 1.00 24.01 C ATOM 1067 O LYS A 70 -4.649 14.990 4.941 1.00 51.23 O ATOM 1068 CB LYS A 70 -3.106 16.674 3.042 1.00 51.32 C ATOM 1069 CG LYS A 70 -4.181 17.676 3.427 1.00 65.23 C ATOM 1070 CD LYS A 70 -3.630 19.091 3.482 1.00 44.51 C ATOM 1071 CE LYS A 70 -2.505 19.211 4.500 1.00 53.25 C ATOM 1072 NZ LYS A 70 -2.799 20.245 5.531 1.00 64.45 N ATOM 0 H LYS A 70 -4.528 15.967 1.007 1.00 51.44 H new ATOM 0 HA LYS A 70 -2.856 14.539 2.959 1.00 42.34 H new ATOM 0 HB2 LYS A 70 -2.365 16.624 3.840 1.00 51.32 H new ATOM 0 HB3 LYS A 70 -2.591 17.031 2.150 1.00 51.32 H new ATOM 0 HG2 LYS A 70 -4.997 17.630 2.706 1.00 65.23 H new ATOM 0 HG3 LYS A 70 -4.598 17.409 4.398 1.00 65.23 H new ATOM 0 HD2 LYS A 70 -3.263 19.378 2.497 1.00 44.51 H new ATOM 0 HD3 LYS A 70 -4.430 19.785 3.739 1.00 44.51 H new ATOM 0 HE2 LYS A 70 -2.350 18.248 4.986 1.00 53.25 H new ATOM 0 HE3 LYS A 70 -1.576 19.463 3.987 1.00 53.25 H new ATOM 0 HZ1 LYS A 70 -2.009 20.297 6.206 1.00 64.45 H new ATOM 0 HZ2 LYS A 70 -2.922 21.169 5.070 1.00 64.45 H new ATOM 0 HZ3 LYS A 70 -3.671 19.992 6.038 1.00 64.45 H new ATOM 1086 N LEU A 71 -5.974 14.693 3.146 1.00 51.11 N ATOM 1087 CA LEU A 71 -7.162 14.390 3.937 1.00 64.21 C ATOM 1088 C LEU A 71 -7.202 12.913 4.315 1.00 24.22 C ATOM 1089 O LEU A 71 -6.344 12.133 3.900 1.00 33.00 O ATOM 1090 CB LEU A 71 -8.425 14.764 3.160 1.00 62.14 C ATOM 1091 CG LEU A 71 -8.356 16.057 2.347 1.00 3.24 C ATOM 1092 CD1 LEU A 71 -9.533 16.150 1.389 1.00 1.51 C ATOM 1093 CD2 LEU A 71 -8.321 17.266 3.272 1.00 10.43 C ATOM 0 H LEU A 71 -6.122 14.672 2.137 1.00 51.11 H new ATOM 0 HA LEU A 71 -7.119 14.979 4.853 1.00 64.21 H new ATOM 0 HB2 LEU A 71 -8.666 13.945 2.482 1.00 62.14 H new ATOM 0 HB3 LEU A 71 -9.251 14.847 3.867 1.00 62.14 H new ATOM 0 HG LEU A 71 -7.438 16.046 1.760 1.00 3.24 H new ATOM 0 HD11 LEU A 71 -9.466 17.077 0.819 1.00 1.51 H new ATOM 0 HD12 LEU A 71 -9.513 15.302 0.705 1.00 1.51 H new ATOM 0 HD13 LEU A 71 -10.465 16.138 1.955 1.00 1.51 H new ATOM 0 HD21 LEU A 71 -8.272 18.178 2.677 1.00 10.43 H new ATOM 0 HD22 LEU A 71 -9.222 17.281 3.885 1.00 10.43 H new ATOM 0 HD23 LEU A 71 -7.444 17.206 3.917 1.00 10.43 H new ATOM 1105 N GLN A 72 -8.203 12.535 5.102 1.00 15.43 N ATOM 1106 CA GLN A 72 -8.356 11.151 5.534 1.00 2.54 C ATOM 1107 C GLN A 72 -9.298 10.391 4.607 1.00 14.50 C ATOM 1108 O GLN A 72 -9.986 10.989 3.779 1.00 13.22 O ATOM 1109 CB GLN A 72 -8.881 11.098 6.970 1.00 11.13 C ATOM 1110 CG GLN A 72 -8.118 10.132 7.862 1.00 42.22 C ATOM 1111 CD GLN A 72 -8.399 10.351 9.336 1.00 40.43 C ATOM 1112 OE1 GLN A 72 -8.371 11.482 9.823 1.00 64.03 O ATOM 1113 NE2 GLN A 72 -8.672 9.269 10.054 1.00 1.43 N ATOM 0 H GLN A 72 -8.921 13.168 5.454 1.00 15.43 H new ATOM 0 HA GLN A 72 -7.376 10.675 5.495 1.00 2.54 H new ATOM 0 HB2 GLN A 72 -8.830 12.097 7.403 1.00 11.13 H new ATOM 0 HB3 GLN A 72 -9.932 10.811 6.953 1.00 11.13 H new ATOM 0 HG2 GLN A 72 -8.383 9.109 7.594 1.00 42.22 H new ATOM 0 HG3 GLN A 72 -7.049 10.242 7.680 1.00 42.22 H new ATOM 0 HE21 GLN A 72 -8.684 8.351 9.609 1.00 1.43 H new ATOM 0 HE22 GLN A 72 -8.870 9.355 11.051 1.00 1.43 H new ATOM 1122 N VAL A 73 -9.323 9.071 4.750 1.00 71.42 N ATOM 1123 CA VAL A 73 -10.182 8.229 3.925 1.00 60.45 C ATOM 1124 C VAL A 73 -11.655 8.526 4.184 1.00 64.13 C ATOM 1125 O VAL A 73 -12.267 7.947 5.080 1.00 74.42 O ATOM 1126 CB VAL A 73 -9.918 6.734 4.183 1.00 24.43 C ATOM 1127 CG1 VAL A 73 -10.720 5.874 3.218 1.00 13.23 C ATOM 1128 CG2 VAL A 73 -8.431 6.429 4.072 1.00 60.34 C ATOM 0 H VAL A 73 -8.759 8.561 5.429 1.00 71.42 H new ATOM 0 HA VAL A 73 -9.945 8.458 2.886 1.00 60.45 H new ATOM 0 HB VAL A 73 -10.241 6.496 5.197 1.00 24.43 H new ATOM 0 HG11 VAL A 73 -10.520 4.821 3.416 1.00 13.23 H new ATOM 0 HG12 VAL A 73 -11.783 6.073 3.351 1.00 13.23 H new ATOM 0 HG13 VAL A 73 -10.432 6.111 2.194 1.00 13.23 H new ATOM 0 HG21 VAL A 73 -8.262 5.368 4.257 1.00 60.34 H new ATOM 0 HG22 VAL A 73 -8.081 6.683 3.071 1.00 60.34 H new ATOM 0 HG23 VAL A 73 -7.883 7.017 4.808 1.00 60.34 H new ATOM 1138 N GLY A 74 -12.219 9.432 3.390 1.00 23.34 N ATOM 1139 CA GLY A 74 -13.616 9.789 3.550 1.00 13.52 C ATOM 1140 C GLY A 74 -13.801 11.068 4.343 1.00 23.04 C ATOM 1141 O GLY A 74 -14.852 11.286 4.944 1.00 63.01 O ATOM 0 H GLY A 74 -11.734 9.924 2.640 1.00 23.34 H new ATOM 0 HA2 GLY A 74 -14.073 9.905 2.567 1.00 13.52 H new ATOM 0 HA3 GLY A 74 -14.141 8.975 4.051 1.00 13.52 H new ATOM 1145 N GLU A 75 -12.775 11.913 4.348 1.00 22.23 N ATOM 1146 CA GLU A 75 -12.828 13.175 5.078 1.00 61.21 C ATOM 1147 C GLU A 75 -12.953 14.354 4.117 1.00 20.32 C ATOM 1148 O GLU A 75 -12.525 14.278 2.965 1.00 40.44 O ATOM 1149 CB GLU A 75 -11.580 13.341 5.946 1.00 22.04 C ATOM 1150 CG GLU A 75 -11.871 13.895 7.331 1.00 54.11 C ATOM 1151 CD GLU A 75 -11.753 15.406 7.392 1.00 64.34 C ATOM 1152 OE1 GLU A 75 -10.816 15.953 6.774 1.00 2.40 O ATOM 1153 OE2 GLU A 75 -12.597 16.041 8.057 1.00 22.13 O ATOM 0 H GLU A 75 -11.897 11.747 3.855 1.00 22.23 H new ATOM 0 HA GLU A 75 -13.708 13.157 5.721 1.00 61.21 H new ATOM 0 HB2 GLU A 75 -11.087 12.374 6.047 1.00 22.04 H new ATOM 0 HB3 GLU A 75 -10.880 14.005 5.438 1.00 22.04 H new ATOM 0 HG2 GLU A 75 -12.876 13.600 7.632 1.00 54.11 H new ATOM 0 HG3 GLU A 75 -11.181 13.451 8.048 1.00 54.11 H new ATOM 1160 N VAL A 76 -13.544 15.443 4.599 1.00 62.33 N ATOM 1161 CA VAL A 76 -13.725 16.638 3.785 1.00 41.43 C ATOM 1162 C VAL A 76 -12.685 17.699 4.126 1.00 41.45 C ATOM 1163 O VAL A 76 -12.365 17.916 5.294 1.00 21.11 O ATOM 1164 CB VAL A 76 -15.133 17.236 3.971 1.00 62.12 C ATOM 1165 CG1 VAL A 76 -15.300 18.484 3.117 1.00 1.21 C ATOM 1166 CG2 VAL A 76 -16.199 16.203 3.634 1.00 4.33 C ATOM 0 H VAL A 76 -13.905 15.522 5.550 1.00 62.33 H new ATOM 0 HA VAL A 76 -13.602 16.334 2.746 1.00 41.43 H new ATOM 0 HB VAL A 76 -15.253 17.521 5.016 1.00 62.12 H new ATOM 0 HG11 VAL A 76 -16.300 18.892 3.261 1.00 1.21 H new ATOM 0 HG12 VAL A 76 -14.559 19.227 3.410 1.00 1.21 H new ATOM 0 HG13 VAL A 76 -15.161 18.228 2.067 1.00 1.21 H new ATOM 0 HG21 VAL A 76 -17.187 16.642 3.771 1.00 4.33 H new ATOM 0 HG22 VAL A 76 -16.083 15.885 2.598 1.00 4.33 H new ATOM 0 HG23 VAL A 76 -16.091 15.341 4.292 1.00 4.33 H new ATOM 1176 N SER A 77 -12.161 18.359 3.098 1.00 73.34 N ATOM 1177 CA SER A 77 -11.155 19.396 3.288 1.00 3.13 C ATOM 1178 C SER A 77 -11.810 20.746 3.564 1.00 11.30 C ATOM 1179 O SER A 77 -12.970 20.966 3.220 1.00 73.21 O ATOM 1180 CB SER A 77 -10.255 19.496 2.055 1.00 61.24 C ATOM 1181 OG SER A 77 -10.562 20.650 1.291 1.00 22.02 O ATOM 0 H SER A 77 -12.417 18.193 2.125 1.00 73.34 H new ATOM 0 HA SER A 77 -10.548 19.123 4.151 1.00 3.13 H new ATOM 0 HB2 SER A 77 -9.211 19.529 2.365 1.00 61.24 H new ATOM 0 HB3 SER A 77 -10.377 18.605 1.439 1.00 61.24 H new ATOM 0 HG SER A 77 -9.738 21.145 1.101 1.00 22.02 H new ATOM 1187 N GLU A 78 -11.057 21.646 4.189 1.00 52.25 N ATOM 1188 CA GLU A 78 -11.565 22.974 4.512 1.00 53.11 C ATOM 1189 C GLU A 78 -11.762 23.804 3.247 1.00 41.54 C ATOM 1190 O GLU A 78 -11.219 23.502 2.185 1.00 65.34 O ATOM 1191 CB GLU A 78 -10.606 23.693 5.463 1.00 52.55 C ATOM 1192 CG GLU A 78 -10.927 23.473 6.931 1.00 1.43 C ATOM 1193 CD GLU A 78 -11.257 24.764 7.656 1.00 63.31 C ATOM 1194 OE1 GLU A 78 -10.319 25.527 7.968 1.00 51.14 O ATOM 1195 OE2 GLU A 78 -12.454 25.010 7.912 1.00 74.23 O ATOM 0 H GLU A 78 -10.094 21.480 4.481 1.00 52.25 H new ATOM 0 HA GLU A 78 -12.531 22.856 5.002 1.00 53.11 H new ATOM 0 HB2 GLU A 78 -9.589 23.352 5.267 1.00 52.55 H new ATOM 0 HB3 GLU A 78 -10.630 24.762 5.251 1.00 52.55 H new ATOM 0 HG2 GLU A 78 -11.770 22.787 7.016 1.00 1.43 H new ATOM 0 HG3 GLU A 78 -10.077 22.995 7.417 1.00 1.43 H new ATOM 1202 N PRO A 79 -12.561 24.876 3.361 1.00 50.14 N ATOM 1203 CA PRO A 79 -12.848 25.772 2.237 1.00 54.24 C ATOM 1204 C PRO A 79 -11.634 26.598 1.828 1.00 30.22 C ATOM 1205 O PRO A 79 -11.413 27.692 2.347 1.00 4.10 O ATOM 1206 CB PRO A 79 -13.954 26.680 2.782 1.00 52.22 C ATOM 1207 CG PRO A 79 -13.762 26.667 4.259 1.00 71.03 C ATOM 1208 CD PRO A 79 -13.243 25.296 4.596 1.00 3.43 C ATOM 0 HA PRO A 79 -13.132 25.222 1.340 1.00 54.24 H new ATOM 0 HB2 PRO A 79 -13.870 27.690 2.381 1.00 52.22 H new ATOM 0 HB3 PRO A 79 -14.942 26.309 2.508 1.00 52.22 H new ATOM 0 HG2 PRO A 79 -13.056 27.438 4.568 1.00 71.03 H new ATOM 0 HG3 PRO A 79 -14.700 26.867 4.776 1.00 71.03 H new ATOM 0 HD2 PRO A 79 -12.558 25.323 5.444 1.00 3.43 H new ATOM 0 HD3 PRO A 79 -14.051 24.614 4.860 1.00 3.43 H new ATOM 1216 N ILE A 80 -10.851 26.067 0.894 1.00 2.34 N ATOM 1217 CA ILE A 80 -9.660 26.757 0.415 1.00 11.23 C ATOM 1218 C ILE A 80 -10.020 27.834 -0.601 1.00 53.55 C ATOM 1219 O ILE A 80 -10.423 27.534 -1.726 1.00 34.44 O ATOM 1220 CB ILE A 80 -8.660 25.776 -0.225 1.00 62.13 C ATOM 1221 CG1 ILE A 80 -8.446 24.565 0.686 1.00 3.50 C ATOM 1222 CG2 ILE A 80 -7.338 26.474 -0.506 1.00 52.53 C ATOM 1223 CD1 ILE A 80 -7.806 24.912 2.011 1.00 23.04 C ATOM 0 H ILE A 80 -11.020 25.162 0.455 1.00 2.34 H new ATOM 0 HA ILE A 80 -9.194 27.222 1.284 1.00 11.23 H new ATOM 0 HB ILE A 80 -9.072 25.427 -1.172 1.00 62.13 H new ATOM 0 HG12 ILE A 80 -9.407 24.085 0.871 1.00 3.50 H new ATOM 0 HG13 ILE A 80 -7.820 23.837 0.169 1.00 3.50 H new ATOM 0 HG21 ILE A 80 -6.642 25.767 -0.958 1.00 52.53 H new ATOM 0 HG22 ILE A 80 -7.504 27.307 -1.189 1.00 52.53 H new ATOM 0 HG23 ILE A 80 -6.919 26.849 0.428 1.00 52.53 H new ATOM 0 HD11 ILE A 80 -7.685 24.006 2.605 1.00 23.04 H new ATOM 0 HD12 ILE A 80 -6.830 25.365 1.836 1.00 23.04 H new ATOM 0 HD13 ILE A 80 -8.441 25.616 2.549 1.00 23.04 H new ATOM 1235 N LYS A 81 -9.871 29.092 -0.201 1.00 52.24 N ATOM 1236 CA LYS A 81 -10.177 30.216 -1.077 1.00 41.41 C ATOM 1237 C LYS A 81 -9.129 30.350 -2.178 1.00 52.24 C ATOM 1238 O LYS A 81 -7.946 30.545 -1.901 1.00 50.33 O ATOM 1239 CB LYS A 81 -10.252 31.514 -0.270 1.00 44.51 C ATOM 1240 CG LYS A 81 -10.763 32.700 -1.069 1.00 43.12 C ATOM 1241 CD LYS A 81 -12.215 33.007 -0.747 1.00 21.42 C ATOM 1242 CE LYS A 81 -12.777 34.079 -1.669 1.00 30.02 C ATOM 1243 NZ LYS A 81 -12.751 33.652 -3.095 1.00 54.24 N ATOM 0 H LYS A 81 -9.540 29.359 0.726 1.00 52.24 H new ATOM 0 HA LYS A 81 -11.145 30.028 -1.542 1.00 41.41 H new ATOM 0 HB2 LYS A 81 -10.903 31.359 0.591 1.00 44.51 H new ATOM 0 HB3 LYS A 81 -9.261 31.748 0.118 1.00 44.51 H new ATOM 0 HG2 LYS A 81 -10.149 33.575 -0.855 1.00 43.12 H new ATOM 0 HG3 LYS A 81 -10.662 32.493 -2.134 1.00 43.12 H new ATOM 0 HD2 LYS A 81 -12.809 32.098 -0.840 1.00 21.42 H new ATOM 0 HD3 LYS A 81 -12.297 33.337 0.289 1.00 21.42 H new ATOM 0 HE2 LYS A 81 -13.802 34.308 -1.377 1.00 30.02 H new ATOM 0 HE3 LYS A 81 -12.200 34.996 -1.554 1.00 30.02 H new ATOM 0 HZ1 LYS A 81 -13.412 34.237 -3.645 1.00 54.24 H new ATOM 0 HZ2 LYS A 81 -11.789 33.767 -3.474 1.00 54.24 H new ATOM 0 HZ3 LYS A 81 -13.033 32.653 -3.164 1.00 54.24 H new ATOM 1257 N SER A 82 -9.573 30.244 -3.427 1.00 1.53 N ATOM 1258 CA SER A 82 -8.672 30.351 -4.569 1.00 10.21 C ATOM 1259 C SER A 82 -9.296 31.195 -5.676 1.00 53.41 C ATOM 1260 O SER A 82 -10.352 31.799 -5.490 1.00 3.14 O ATOM 1261 CB SER A 82 -8.327 28.960 -5.104 1.00 42.23 C ATOM 1262 OG SER A 82 -8.375 27.990 -4.073 1.00 43.54 O ATOM 0 H SER A 82 -10.550 30.084 -3.673 1.00 1.53 H new ATOM 0 HA SER A 82 -7.757 30.841 -4.235 1.00 10.21 H new ATOM 0 HB2 SER A 82 -9.025 28.688 -5.896 1.00 42.23 H new ATOM 0 HB3 SER A 82 -7.332 28.974 -5.548 1.00 42.23 H new ATOM 0 HG SER A 82 -8.152 27.110 -4.441 1.00 43.54 H new ATOM 1268 N GLU A 83 -8.635 31.231 -6.829 1.00 4.43 N ATOM 1269 CA GLU A 83 -9.124 32.001 -7.965 1.00 51.24 C ATOM 1270 C GLU A 83 -10.506 31.518 -8.396 1.00 33.11 C ATOM 1271 O GLU A 83 -11.314 32.291 -8.912 1.00 61.03 O ATOM 1272 CB GLU A 83 -8.148 31.898 -9.139 1.00 71.54 C ATOM 1273 CG GLU A 83 -8.098 30.515 -9.769 1.00 11.42 C ATOM 1274 CD GLU A 83 -6.773 30.230 -10.447 1.00 4.13 C ATOM 1275 OE1 GLU A 83 -5.807 29.879 -9.736 1.00 44.22 O ATOM 1276 OE2 GLU A 83 -6.700 30.358 -11.686 1.00 62.24 O ATOM 0 H GLU A 83 -7.760 30.736 -7.000 1.00 4.43 H new ATOM 0 HA GLU A 83 -9.202 33.044 -7.657 1.00 51.24 H new ATOM 0 HB2 GLU A 83 -8.430 32.625 -9.900 1.00 71.54 H new ATOM 0 HB3 GLU A 83 -7.149 32.168 -8.795 1.00 71.54 H new ATOM 0 HG2 GLU A 83 -8.278 29.763 -9.000 1.00 11.42 H new ATOM 0 HG3 GLU A 83 -8.902 30.423 -10.499 1.00 11.42 H new ATOM 1283 N PHE A 84 -10.772 30.235 -8.178 1.00 71.21 N ATOM 1284 CA PHE A 84 -12.055 29.647 -8.544 1.00 72.13 C ATOM 1285 C PHE A 84 -13.040 29.723 -7.381 1.00 41.33 C ATOM 1286 O PHE A 84 -14.253 29.639 -7.573 1.00 4.22 O ATOM 1287 CB PHE A 84 -11.869 28.190 -8.975 1.00 1.54 C ATOM 1288 CG PHE A 84 -10.748 27.993 -9.954 1.00 5.34 C ATOM 1289 CD1 PHE A 84 -10.723 28.694 -11.149 1.00 45.14 C ATOM 1290 CD2 PHE A 84 -9.718 27.108 -9.679 1.00 11.31 C ATOM 1291 CE1 PHE A 84 -9.692 28.516 -12.052 1.00 63.23 C ATOM 1292 CE2 PHE A 84 -8.684 26.925 -10.578 1.00 4.34 C ATOM 1293 CZ PHE A 84 -8.671 27.629 -11.767 1.00 10.42 C ATOM 0 H PHE A 84 -10.116 29.582 -7.749 1.00 71.21 H new ATOM 0 HA PHE A 84 -12.462 30.217 -9.380 1.00 72.13 H new ATOM 0 HB2 PHE A 84 -11.681 27.579 -8.092 1.00 1.54 H new ATOM 0 HB3 PHE A 84 -12.797 27.830 -9.420 1.00 1.54 H new ATOM 0 HD1 PHE A 84 -11.519 29.388 -11.377 1.00 45.14 H new ATOM 0 HD2 PHE A 84 -9.723 26.555 -8.752 1.00 11.31 H new ATOM 0 HE1 PHE A 84 -9.684 29.069 -12.979 1.00 63.23 H new ATOM 0 HE2 PHE A 84 -7.887 26.232 -10.351 1.00 4.34 H new ATOM 0 HZ PHE A 84 -7.865 27.487 -12.472 1.00 10.42 H new ATOM 1303 N GLY A 85 -12.509 29.883 -6.173 1.00 25.11 N ATOM 1304 CA GLY A 85 -13.353 29.966 -4.996 1.00 4.50 C ATOM 1305 C GLY A 85 -12.959 28.968 -3.926 1.00 63.42 C ATOM 1306 O GLY A 85 -11.807 28.537 -3.864 1.00 31.34 O ATOM 0 H GLY A 85 -11.509 29.957 -5.989 1.00 25.11 H new ATOM 0 HA2 GLY A 85 -13.299 30.974 -4.585 1.00 4.50 H new ATOM 0 HA3 GLY A 85 -14.390 29.794 -5.284 1.00 4.50 H new ATOM 1310 N TYR A 86 -13.915 28.598 -3.082 1.00 51.21 N ATOM 1311 CA TYR A 86 -13.662 27.647 -2.007 1.00 64.42 C ATOM 1312 C TYR A 86 -13.678 26.214 -2.532 1.00 42.31 C ATOM 1313 O TYR A 86 -14.693 25.741 -3.044 1.00 62.33 O ATOM 1314 CB TYR A 86 -14.702 27.807 -0.898 1.00 73.25 C ATOM 1315 CG TYR A 86 -14.600 29.122 -0.158 1.00 72.14 C ATOM 1316 CD1 TYR A 86 -13.451 29.456 0.548 1.00 54.15 C ATOM 1317 CD2 TYR A 86 -15.654 30.028 -0.163 1.00 4.43 C ATOM 1318 CE1 TYR A 86 -13.354 30.656 1.226 1.00 31.12 C ATOM 1319 CE2 TYR A 86 -15.565 31.230 0.512 1.00 64.12 C ATOM 1320 CZ TYR A 86 -14.413 31.539 1.205 1.00 51.55 C ATOM 1321 OH TYR A 86 -14.321 32.736 1.879 1.00 70.11 O ATOM 0 H TYR A 86 -14.874 28.943 -3.122 1.00 51.21 H new ATOM 0 HA TYR A 86 -12.673 27.855 -1.599 1.00 64.42 H new ATOM 0 HB2 TYR A 86 -15.699 27.719 -1.331 1.00 73.25 H new ATOM 0 HB3 TYR A 86 -14.590 26.989 -0.186 1.00 73.25 H new ATOM 0 HD1 TYR A 86 -12.620 28.766 0.567 1.00 54.15 H new ATOM 0 HD2 TYR A 86 -16.558 29.788 -0.704 1.00 4.43 H new ATOM 0 HE1 TYR A 86 -12.454 30.901 1.770 1.00 31.12 H new ATOM 0 HE2 TYR A 86 -16.393 31.924 0.497 1.00 64.12 H new ATOM 0 HH TYR A 86 -15.033 33.338 1.576 1.00 70.11 H new ATOM 1331 N HIS A 87 -12.547 25.529 -2.401 1.00 3.41 N ATOM 1332 CA HIS A 87 -12.429 24.150 -2.861 1.00 54.42 C ATOM 1333 C HIS A 87 -12.679 23.172 -1.716 1.00 2.51 C ATOM 1334 O HIS A 87 -12.032 23.249 -0.671 1.00 71.33 O ATOM 1335 CB HIS A 87 -11.046 23.907 -3.464 1.00 21.21 C ATOM 1336 CG HIS A 87 -10.831 24.602 -4.773 1.00 33.42 C ATOM 1337 ND1 HIS A 87 -11.014 23.984 -5.992 1.00 33.40 N ATOM 1338 CD2 HIS A 87 -10.448 25.870 -5.049 1.00 13.11 C ATOM 1339 CE1 HIS A 87 -10.752 24.842 -6.962 1.00 21.33 C ATOM 1340 NE2 HIS A 87 -10.406 25.994 -6.416 1.00 21.01 N ATOM 0 H HIS A 87 -11.698 25.907 -1.980 1.00 3.41 H new ATOM 0 HA HIS A 87 -13.185 23.983 -3.629 1.00 54.42 H new ATOM 0 HB2 HIS A 87 -10.287 24.240 -2.756 1.00 21.21 H new ATOM 0 HB3 HIS A 87 -10.903 22.835 -3.604 1.00 21.21 H new ATOM 0 HD1 HIS A 87 -11.306 23.016 -6.124 1.00 33.40 H new ATOM 0 HD2 HIS A 87 -10.218 26.641 -4.328 1.00 13.11 H new ATOM 0 HE1 HIS A 87 -10.811 24.637 -8.021 1.00 21.33 H new ATOM 1348 N ILE A 88 -13.620 22.257 -1.921 1.00 12.30 N ATOM 1349 CA ILE A 88 -13.954 21.266 -0.905 1.00 63.12 C ATOM 1350 C ILE A 88 -13.617 19.857 -1.382 1.00 4.13 C ATOM 1351 O ILE A 88 -14.484 19.130 -1.866 1.00 12.40 O ATOM 1352 CB ILE A 88 -15.446 21.325 -0.530 1.00 2.21 C ATOM 1353 CG1 ILE A 88 -15.801 22.709 0.017 1.00 53.54 C ATOM 1354 CG2 ILE A 88 -15.779 20.246 0.490 1.00 43.23 C ATOM 1355 CD1 ILE A 88 -15.083 23.055 1.302 1.00 34.02 C ATOM 0 H ILE A 88 -14.164 22.181 -2.780 1.00 12.30 H new ATOM 0 HA ILE A 88 -13.357 21.503 -0.024 1.00 63.12 H new ATOM 0 HB ILE A 88 -16.039 21.145 -1.427 1.00 2.21 H new ATOM 0 HG12 ILE A 88 -15.563 23.460 -0.736 1.00 53.54 H new ATOM 0 HG13 ILE A 88 -16.877 22.758 0.187 1.00 53.54 H new ATOM 0 HG21 ILE A 88 -16.837 20.301 0.745 1.00 43.23 H new ATOM 0 HG22 ILE A 88 -15.558 19.266 0.068 1.00 43.23 H new ATOM 0 HG23 ILE A 88 -15.181 20.398 1.389 1.00 43.23 H new ATOM 0 HD11 ILE A 88 -15.384 24.050 1.630 1.00 34.02 H new ATOM 0 HD12 ILE A 88 -15.341 22.326 2.070 1.00 34.02 H new ATOM 0 HD13 ILE A 88 -14.006 23.039 1.133 1.00 34.02 H new ATOM 1367 N ILE A 89 -12.351 19.477 -1.239 1.00 44.42 N ATOM 1368 CA ILE A 89 -11.900 18.154 -1.652 1.00 2.43 C ATOM 1369 C ILE A 89 -12.276 17.098 -0.618 1.00 4.31 C ATOM 1370 O ILE A 89 -12.064 17.284 0.581 1.00 74.31 O ATOM 1371 CB ILE A 89 -10.376 18.122 -1.872 1.00 3.30 C ATOM 1372 CG1 ILE A 89 -9.928 19.348 -2.671 1.00 70.24 C ATOM 1373 CG2 ILE A 89 -9.972 16.841 -2.586 1.00 45.12 C ATOM 1374 CD1 ILE A 89 -9.245 20.401 -1.828 1.00 51.54 C ATOM 0 H ILE A 89 -11.620 20.067 -0.840 1.00 44.42 H new ATOM 0 HA ILE A 89 -12.399 17.930 -2.595 1.00 2.43 H new ATOM 0 HB ILE A 89 -9.882 18.145 -0.900 1.00 3.30 H new ATOM 0 HG12 ILE A 89 -9.248 19.029 -3.460 1.00 70.24 H new ATOM 0 HG13 ILE A 89 -10.796 19.791 -3.159 1.00 70.24 H new ATOM 0 HG21 ILE A 89 -8.892 16.832 -2.735 1.00 45.12 H new ATOM 0 HG22 ILE A 89 -10.262 15.981 -1.982 1.00 45.12 H new ATOM 0 HG23 ILE A 89 -10.472 16.790 -3.553 1.00 45.12 H new ATOM 0 HD11 ILE A 89 -8.955 21.241 -2.460 1.00 51.54 H new ATOM 0 HD12 ILE A 89 -9.930 20.749 -1.055 1.00 51.54 H new ATOM 0 HD13 ILE A 89 -8.357 19.974 -1.361 1.00 51.54 H new ATOM 1386 N LYS A 90 -12.831 15.987 -1.089 1.00 50.13 N ATOM 1387 CA LYS A 90 -13.233 14.898 -0.208 1.00 13.13 C ATOM 1388 C LYS A 90 -12.749 13.555 -0.745 1.00 45.43 C ATOM 1389 O LYS A 90 -13.122 13.145 -1.844 1.00 61.42 O ATOM 1390 CB LYS A 90 -14.756 14.877 -0.051 1.00 4.13 C ATOM 1391 CG LYS A 90 -15.257 13.780 0.871 1.00 33.41 C ATOM 1392 CD LYS A 90 -16.745 13.532 0.686 1.00 31.12 C ATOM 1393 CE LYS A 90 -17.157 12.174 1.235 1.00 44.31 C ATOM 1394 NZ LYS A 90 -18.486 11.747 0.718 1.00 61.01 N ATOM 0 H LYS A 90 -13.013 15.817 -2.078 1.00 50.13 H new ATOM 0 HA LYS A 90 -12.775 15.066 0.767 1.00 13.13 H new ATOM 0 HB2 LYS A 90 -15.087 15.842 0.333 1.00 4.13 H new ATOM 0 HB3 LYS A 90 -15.212 14.751 -1.033 1.00 4.13 H new ATOM 0 HG2 LYS A 90 -14.707 12.860 0.675 1.00 33.41 H new ATOM 0 HG3 LYS A 90 -15.059 14.056 1.907 1.00 33.41 H new ATOM 0 HD2 LYS A 90 -17.311 14.316 1.189 1.00 31.12 H new ATOM 0 HD3 LYS A 90 -16.995 13.588 -0.373 1.00 31.12 H new ATOM 0 HE2 LYS A 90 -16.407 11.431 0.966 1.00 44.31 H new ATOM 0 HE3 LYS A 90 -17.187 12.216 2.324 1.00 44.31 H new ATOM 0 HZ1 LYS A 90 -18.708 10.796 1.075 1.00 61.01 H new ATOM 0 HZ2 LYS A 90 -19.215 12.416 1.039 1.00 61.01 H new ATOM 0 HZ3 LYS A 90 -18.465 11.731 -0.322 1.00 61.01 H new ATOM 1408 N ARG A 91 -11.918 12.875 0.037 1.00 4.34 N ATOM 1409 CA ARG A 91 -11.382 11.579 -0.360 1.00 72.33 C ATOM 1410 C ARG A 91 -12.479 10.518 -0.370 1.00 21.34 C ATOM 1411 O ARG A 91 -13.385 10.538 0.463 1.00 3.54 O ATOM 1412 CB ARG A 91 -10.257 11.156 0.585 1.00 21.34 C ATOM 1413 CG ARG A 91 -9.630 9.818 0.227 1.00 72.02 C ATOM 1414 CD ARG A 91 -8.278 9.638 0.898 1.00 52.52 C ATOM 1415 NE ARG A 91 -7.925 8.229 1.050 1.00 2.13 N ATOM 1416 CZ ARG A 91 -6.690 7.803 1.294 1.00 13.22 C ATOM 1417 NH1 ARG A 91 -5.697 8.673 1.414 1.00 71.44 N ATOM 1418 NH2 ARG A 91 -6.448 6.505 1.419 1.00 54.22 N ATOM 0 H ARG A 91 -11.601 13.200 0.950 1.00 4.34 H new ATOM 0 HA ARG A 91 -10.982 11.673 -1.369 1.00 72.33 H new ATOM 0 HB2 ARG A 91 -9.483 11.923 0.580 1.00 21.34 H new ATOM 0 HB3 ARG A 91 -10.648 11.104 1.601 1.00 21.34 H new ATOM 0 HG2 ARG A 91 -10.297 9.010 0.528 1.00 72.02 H new ATOM 0 HG3 ARG A 91 -9.513 9.748 -0.854 1.00 72.02 H new ATOM 0 HD2 ARG A 91 -7.511 10.142 0.310 1.00 52.52 H new ATOM 0 HD3 ARG A 91 -8.293 10.116 1.878 1.00 52.52 H new ATOM 0 HE ARG A 91 -8.667 7.534 0.964 1.00 2.13 H new ATOM 0 HH11 ARG A 91 -5.880 9.672 1.319 1.00 71.44 H new ATOM 0 HH12 ARG A 91 -4.750 8.343 1.601 1.00 71.44 H new ATOM 0 HH21 ARG A 91 -7.210 5.833 1.328 1.00 54.22 H new ATOM 0 HH22 ARG A 91 -5.500 6.179 1.606 1.00 54.22 H new ATOM 1432 N PHE A 92 -12.391 9.591 -1.319 1.00 11.33 N ATOM 1433 CA PHE A 92 -13.376 8.523 -1.438 1.00 13.23 C ATOM 1434 C PHE A 92 -12.717 7.155 -1.286 1.00 64.22 C ATOM 1435 O PHE A 92 -13.323 6.215 -0.775 1.00 64.25 O ATOM 1436 CB PHE A 92 -14.093 8.610 -2.786 1.00 65.35 C ATOM 1437 CG PHE A 92 -15.300 9.503 -2.768 1.00 32.00 C ATOM 1438 CD1 PHE A 92 -15.201 10.814 -2.332 1.00 2.12 C ATOM 1439 CD2 PHE A 92 -16.534 9.032 -3.185 1.00 73.45 C ATOM 1440 CE1 PHE A 92 -16.310 11.639 -2.313 1.00 32.20 C ATOM 1441 CE2 PHE A 92 -17.647 9.851 -3.169 1.00 72.23 C ATOM 1442 CZ PHE A 92 -17.535 11.157 -2.733 1.00 64.14 C ATOM 0 H PHE A 92 -11.647 9.558 -2.016 1.00 11.33 H new ATOM 0 HA PHE A 92 -14.106 8.645 -0.638 1.00 13.23 H new ATOM 0 HB2 PHE A 92 -13.393 8.974 -3.538 1.00 65.35 H new ATOM 0 HB3 PHE A 92 -14.397 7.609 -3.092 1.00 65.35 H new ATOM 0 HD1 PHE A 92 -14.246 11.196 -2.003 1.00 2.12 H new ATOM 0 HD2 PHE A 92 -16.628 8.012 -3.527 1.00 73.45 H new ATOM 0 HE1 PHE A 92 -16.219 12.659 -1.970 1.00 32.20 H new ATOM 0 HE2 PHE A 92 -18.603 9.471 -3.497 1.00 72.23 H new ATOM 0 HZ PHE A 92 -18.403 11.800 -2.720 1.00 64.14 H new ATOM 1452 N GLY A 93 -11.468 7.054 -1.735 1.00 73.24 N ATOM 1453 CA GLY A 93 -10.747 5.798 -1.642 1.00 22.23 C ATOM 1454 C GLY A 93 -10.753 5.229 -0.238 1.00 22.13 C ATOM 1455 O GLY A 93 -10.411 4.064 -0.031 1.00 0.34 O ATOM 0 H GLY A 93 -10.944 7.819 -2.161 1.00 73.24 H new ATOM 0 HA2 GLY A 93 -11.193 5.075 -2.325 1.00 22.23 H new ATOM 0 HA3 GLY A 93 -9.717 5.949 -1.965 1.00 22.23 H new TER 1459 GLY A 93