USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 943 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 79 THR OG1 : rot 180:sc= 0.0249 USER MOD Set 1.2: A 80 SER OG : rot 180:sc= 0.00154 USER MOD Set 2.1: A 36 HIS : no HD1:sc= -0.0118 X(o=0.068,f=0.073) USER MOD Set 2.2: A 66 THR OG1 : rot 180:sc= 0.0797 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 154:sc= -0.0324 (180deg=-0.474) USER MOD Single : A 5 SER OG : rot 63:sc= 0.0312 USER MOD Single : A 6 ASN : amide:sc= -0.0392 X(o=-0.039,f=-0.17) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -67:sc= 0.519 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 61:sc= 0.278 USER MOD Single : A 24 THR OG1 : rot 64:sc= -0.105 USER MOD Single : A 26 SER OG : rot -95:sc= 1.22 USER MOD Single : A 27 ASN : amide:sc= -0.373 K(o=-0.37,f=-5!) USER MOD Single : A 30 SER OG : rot 74:sc= 0.157 USER MOD Single : A 35 THR OG1 : rot -160:sc= 0 USER MOD Single : A 39 SER OG : rot 150:sc= -0.622 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 160:sc= -1.37 (180deg=-2.59!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 150:sc= -1.03 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 39:sc= -0.463 USER MOD Single : A 69 ASN : amide:sc= -1.94 K(o=-1.9,f=-6!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.156 X(o=-0.16,f=-0.16) USER MOD Single : A 83 THR OG1 : rot -55:sc= 1.27 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 73:sc= 0.935 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.903 4.143 -4.740 1.00 24.33 N ATOM 2 CA MET A 1 3.271 3.068 -3.825 1.00 2.54 C ATOM 3 C MET A 1 2.638 1.749 -4.253 1.00 60.51 C ATOM 4 O MET A 1 1.965 1.087 -3.463 1.00 50.13 O ATOM 5 CB MET A 1 2.840 3.415 -2.398 1.00 62.11 C ATOM 6 CG MET A 1 1.354 3.706 -2.266 1.00 21.10 C ATOM 7 SD MET A 1 0.533 2.608 -1.095 1.00 11.23 S ATOM 8 CE MET A 1 -1.177 3.092 -1.319 1.00 0.32 C ATOM 0 H1 MET A 1 2.947 5.054 -4.241 1.00 24.33 H new ATOM 0 H2 MET A 1 3.563 4.156 -5.544 1.00 24.33 H new ATOM 0 H3 MET A 1 1.936 3.986 -5.089 1.00 24.33 H new ATOM 0 HA MET A 1 4.355 2.956 -3.853 1.00 2.54 H new ATOM 0 HB2 MET A 1 3.100 2.588 -1.737 1.00 62.11 H new ATOM 0 HB3 MET A 1 3.404 4.284 -2.058 1.00 62.11 H new ATOM 0 HG2 MET A 1 1.217 4.739 -1.947 1.00 21.10 H new ATOM 0 HG3 MET A 1 0.880 3.609 -3.243 1.00 21.10 H new ATOM 0 HE1 MET A 1 -1.812 2.500 -0.660 1.00 0.32 H new ATOM 0 HE2 MET A 1 -1.290 4.149 -1.078 1.00 0.32 H new ATOM 0 HE3 MET A 1 -1.471 2.922 -2.355 1.00 0.32 H new ATOM 18 N ALA A 2 2.858 1.372 -5.508 1.00 61.25 N ATOM 19 CA ALA A 2 2.310 0.130 -6.041 1.00 4.33 C ATOM 20 C ALA A 2 2.778 -0.107 -7.473 1.00 1.24 C ATOM 21 O ALA A 2 3.579 0.659 -8.009 1.00 13.40 O ATOM 22 CB ALA A 2 0.790 0.154 -5.977 1.00 24.01 C ATOM 0 H ALA A 2 3.412 1.909 -6.175 1.00 61.25 H new ATOM 0 HA ALA A 2 2.676 -0.693 -5.427 1.00 4.33 H new ATOM 0 HB1 ALA A 2 0.394 -0.779 -6.378 1.00 24.01 H new ATOM 0 HB2 ALA A 2 0.471 0.268 -4.941 1.00 24.01 H new ATOM 0 HB3 ALA A 2 0.414 0.990 -6.566 1.00 24.01 H new ATOM 28 N ARG A 3 2.274 -1.173 -8.086 1.00 40.40 N ATOM 29 CA ARG A 3 2.642 -1.511 -9.455 1.00 62.24 C ATOM 30 C ARG A 3 4.132 -1.825 -9.556 1.00 41.31 C ATOM 31 O ARG A 3 4.914 -1.065 -10.129 1.00 20.43 O ATOM 32 CB ARG A 3 2.287 -0.362 -10.401 1.00 31.04 C ATOM 33 CG ARG A 3 2.197 -0.779 -11.860 1.00 5.14 C ATOM 34 CD ARG A 3 3.004 0.149 -12.755 1.00 21.15 C ATOM 35 NE ARG A 3 2.213 1.284 -13.221 1.00 14.32 N ATOM 36 CZ ARG A 3 2.721 2.303 -13.905 1.00 41.10 C ATOM 37 NH1 ARG A 3 4.013 2.328 -14.201 1.00 61.24 N ATOM 38 NH2 ARG A 3 1.936 3.300 -14.295 1.00 24.43 N ATOM 0 H ARG A 3 1.610 -1.817 -7.656 1.00 40.40 H new ATOM 0 HA ARG A 3 2.080 -2.399 -9.746 1.00 62.24 H new ATOM 0 HB2 ARG A 3 1.333 0.067 -10.095 1.00 31.04 H new ATOM 0 HB3 ARG A 3 3.036 0.423 -10.302 1.00 31.04 H new ATOM 0 HG2 ARG A 3 2.561 -1.800 -11.971 1.00 5.14 H new ATOM 0 HG3 ARG A 3 1.154 -0.776 -12.177 1.00 5.14 H new ATOM 0 HD2 ARG A 3 3.874 0.513 -12.209 1.00 21.15 H new ATOM 0 HD3 ARG A 3 3.377 -0.409 -13.613 1.00 21.15 H new ATOM 0 HE ARG A 3 1.215 1.295 -13.010 1.00 14.32 H new ATOM 0 HH11 ARG A 3 4.619 1.564 -13.903 1.00 61.24 H new ATOM 0 HH12 ARG A 3 4.401 3.112 -14.726 1.00 61.24 H new ATOM 0 HH21 ARG A 3 0.941 3.284 -14.069 1.00 24.43 H new ATOM 0 HH22 ARG A 3 2.327 4.082 -14.820 1.00 24.43 H new ATOM 52 N PRO A 4 4.536 -2.970 -8.986 1.00 51.14 N ATOM 53 CA PRO A 4 5.934 -3.410 -8.999 1.00 21.14 C ATOM 54 C PRO A 4 6.399 -3.824 -10.391 1.00 23.35 C ATOM 55 O PRO A 4 6.446 -5.012 -10.712 1.00 5.42 O ATOM 56 CB PRO A 4 5.935 -4.615 -8.054 1.00 40.31 C ATOM 57 CG PRO A 4 4.537 -5.128 -8.094 1.00 22.31 C ATOM 58 CD PRO A 4 3.659 -3.923 -8.287 1.00 34.42 C ATOM 0 HA PRO A 4 6.615 -2.614 -8.698 1.00 21.14 H new ATOM 0 HB2 PRO A 4 6.645 -5.374 -8.381 1.00 40.31 H new ATOM 0 HB3 PRO A 4 6.222 -4.325 -7.043 1.00 40.31 H new ATOM 0 HG2 PRO A 4 4.406 -5.841 -8.908 1.00 22.31 H new ATOM 0 HG3 PRO A 4 4.286 -5.650 -7.170 1.00 22.31 H new ATOM 0 HD2 PRO A 4 2.774 -4.161 -8.877 1.00 34.42 H new ATOM 0 HD3 PRO A 4 3.310 -3.524 -7.335 1.00 34.42 H new ATOM 66 N SER A 5 6.742 -2.838 -11.213 1.00 4.13 N ATOM 67 CA SER A 5 7.201 -3.100 -12.572 1.00 31.21 C ATOM 68 C SER A 5 7.592 -1.803 -13.273 1.00 53.13 C ATOM 69 O SER A 5 6.758 -0.923 -13.483 1.00 3.31 O ATOM 70 CB SER A 5 6.111 -3.817 -13.371 1.00 31.10 C ATOM 71 OG SER A 5 6.517 -5.128 -13.725 1.00 51.35 O ATOM 0 H SER A 5 6.711 -1.850 -10.962 1.00 4.13 H new ATOM 0 HA SER A 5 8.081 -3.741 -12.515 1.00 31.21 H new ATOM 0 HB2 SER A 5 5.195 -3.863 -12.782 1.00 31.10 H new ATOM 0 HB3 SER A 5 5.882 -3.248 -14.272 1.00 31.10 H new ATOM 0 HG SER A 5 6.655 -5.658 -12.913 1.00 51.35 H new ATOM 77 N ASN A 6 8.866 -1.693 -13.634 1.00 23.15 N ATOM 78 CA ASN A 6 9.369 -0.504 -14.311 1.00 43.40 C ATOM 79 C ASN A 6 10.848 -0.657 -14.653 1.00 42.12 C ATOM 80 O ASN A 6 11.676 -0.914 -13.779 1.00 35.24 O ATOM 81 CB ASN A 6 9.163 0.734 -13.435 1.00 33.52 C ATOM 82 CG ASN A 6 8.233 1.747 -14.075 1.00 23.41 C ATOM 83 OD1 ASN A 6 8.335 2.031 -15.268 1.00 54.33 O ATOM 84 ND2 ASN A 6 7.321 2.297 -13.282 1.00 23.44 N ATOM 0 H ASN A 6 9.569 -2.413 -13.469 1.00 23.15 H new ATOM 0 HA ASN A 6 8.810 -0.382 -15.239 1.00 43.40 H new ATOM 0 HB2 ASN A 6 8.756 0.430 -12.471 1.00 33.52 H new ATOM 0 HB3 ASN A 6 10.128 1.203 -13.240 1.00 33.52 H new ATOM 0 HD21 ASN A 6 6.668 2.985 -13.656 1.00 23.44 H new ATOM 0 HD22 ASN A 6 7.273 2.031 -12.298 1.00 23.44 H new ATOM 91 N VAL A 7 11.174 -0.497 -15.932 1.00 11.51 N ATOM 92 CA VAL A 7 12.553 -0.615 -16.390 1.00 71.13 C ATOM 93 C VAL A 7 13.197 0.757 -16.556 1.00 72.31 C ATOM 94 O VAL A 7 14.291 1.007 -16.050 1.00 31.11 O ATOM 95 CB VAL A 7 12.636 -1.374 -17.728 1.00 24.42 C ATOM 96 CG1 VAL A 7 14.080 -1.475 -18.195 1.00 63.44 C ATOM 97 CG2 VAL A 7 12.012 -2.755 -17.596 1.00 22.30 C ATOM 0 H VAL A 7 10.502 -0.285 -16.669 1.00 11.51 H new ATOM 0 HA VAL A 7 13.093 -1.176 -15.627 1.00 71.13 H new ATOM 0 HB VAL A 7 12.075 -0.817 -18.478 1.00 24.42 H new ATOM 0 HG11 VAL A 7 14.119 -2.014 -19.141 1.00 63.44 H new ATOM 0 HG12 VAL A 7 14.490 -0.474 -18.330 1.00 63.44 H new ATOM 0 HG13 VAL A 7 14.667 -2.009 -17.448 1.00 63.44 H new ATOM 0 HG21 VAL A 7 12.079 -3.277 -18.550 1.00 22.30 H new ATOM 0 HG22 VAL A 7 12.544 -3.323 -16.833 1.00 22.30 H new ATOM 0 HG23 VAL A 7 10.965 -2.655 -17.310 1.00 22.30 H new ATOM 107 N LYS A 8 12.511 1.644 -17.268 1.00 53.05 N ATOM 108 CA LYS A 8 13.013 2.993 -17.501 1.00 24.22 C ATOM 109 C LYS A 8 13.078 3.781 -16.197 1.00 2.53 C ATOM 110 O LYS A 8 12.431 3.443 -15.206 1.00 22.54 O ATOM 111 CB LYS A 8 12.124 3.725 -18.508 1.00 75.51 C ATOM 112 CG LYS A 8 12.576 3.563 -19.949 1.00 50.20 C ATOM 113 CD LYS A 8 11.817 2.450 -20.651 1.00 32.55 C ATOM 114 CE LYS A 8 11.456 2.834 -22.077 1.00 64.54 C ATOM 115 NZ LYS A 8 10.556 1.831 -22.711 1.00 71.10 N ATOM 0 H LYS A 8 11.604 1.453 -17.694 1.00 53.05 H new ATOM 0 HA LYS A 8 14.021 2.913 -17.908 1.00 24.22 H new ATOM 0 HB2 LYS A 8 11.102 3.357 -18.413 1.00 75.51 H new ATOM 0 HB3 LYS A 8 12.105 4.786 -18.259 1.00 75.51 H new ATOM 0 HG2 LYS A 8 12.427 4.500 -20.485 1.00 50.20 H new ATOM 0 HG3 LYS A 8 13.644 3.348 -19.974 1.00 50.20 H new ATOM 0 HD2 LYS A 8 12.423 1.544 -20.660 1.00 32.55 H new ATOM 0 HD3 LYS A 8 10.909 2.220 -20.094 1.00 32.55 H new ATOM 0 HE2 LYS A 8 10.970 3.810 -22.078 1.00 64.54 H new ATOM 0 HE3 LYS A 8 12.366 2.930 -22.669 1.00 64.54 H new ATOM 0 HZ1 LYS A 8 10.333 2.129 -23.682 1.00 71.10 H new ATOM 0 HZ2 LYS A 8 11.029 0.905 -22.733 1.00 71.10 H new ATOM 0 HZ3 LYS A 8 9.676 1.757 -22.161 1.00 71.10 H new ATOM 129 N PRO A 9 13.876 4.860 -16.195 1.00 73.13 N ATOM 130 CA PRO A 9 14.042 5.720 -15.020 1.00 12.00 C ATOM 131 C PRO A 9 12.786 6.527 -14.710 1.00 53.11 C ATOM 132 O PRO A 9 12.023 6.877 -15.611 1.00 2.01 O ATOM 133 CB PRO A 9 15.190 6.650 -15.420 1.00 53.14 C ATOM 134 CG PRO A 9 15.148 6.684 -16.909 1.00 62.32 C ATOM 135 CD PRO A 9 14.676 5.323 -17.341 1.00 63.12 C ATOM 0 HA PRO A 9 14.238 5.142 -14.117 1.00 12.00 H new ATOM 0 HB2 PRO A 9 15.058 7.646 -14.997 1.00 53.14 H new ATOM 0 HB3 PRO A 9 16.148 6.275 -15.059 1.00 53.14 H new ATOM 0 HG2 PRO A 9 14.472 7.462 -17.263 1.00 62.32 H new ATOM 0 HG3 PRO A 9 16.132 6.905 -17.322 1.00 62.32 H new ATOM 0 HD2 PRO A 9 14.080 5.375 -18.252 1.00 63.12 H new ATOM 0 HD3 PRO A 9 15.512 4.654 -17.544 1.00 63.12 H new ATOM 143 N SER A 10 12.577 6.820 -13.431 1.00 34.15 N ATOM 144 CA SER A 10 11.411 7.583 -13.002 1.00 14.43 C ATOM 145 C SER A 10 11.635 8.187 -11.619 1.00 20.04 C ATOM 146 O SER A 10 11.026 7.779 -10.629 1.00 45.30 O ATOM 147 CB SER A 10 10.168 6.691 -12.986 1.00 0.03 C ATOM 148 OG SER A 10 9.062 7.367 -12.414 1.00 53.40 O ATOM 0 H SER A 10 13.200 6.541 -12.673 1.00 34.15 H new ATOM 0 HA SER A 10 11.258 8.395 -13.713 1.00 14.43 H new ATOM 0 HB2 SER A 10 9.924 6.384 -14.003 1.00 0.03 H new ATOM 0 HB3 SER A 10 10.376 5.783 -12.420 1.00 0.03 H new ATOM 0 HG SER A 10 9.230 7.521 -11.461 1.00 53.40 H new ATOM 154 N PRO A 11 12.531 9.183 -11.547 1.00 34.11 N ATOM 155 CA PRO A 11 12.857 9.865 -10.291 1.00 52.21 C ATOM 156 C PRO A 11 11.708 10.731 -9.786 1.00 75.12 C ATOM 157 O PRO A 11 11.206 11.596 -10.505 1.00 71.33 O ATOM 158 CB PRO A 11 14.059 10.737 -10.663 1.00 22.52 C ATOM 159 CG PRO A 11 13.921 10.967 -12.128 1.00 45.02 C ATOM 160 CD PRO A 11 13.293 9.720 -12.686 1.00 43.03 C ATOM 0 HA PRO A 11 13.057 9.160 -9.485 1.00 52.21 H new ATOM 0 HB2 PRO A 11 14.051 11.678 -10.112 1.00 22.52 H new ATOM 0 HB3 PRO A 11 14.999 10.237 -10.427 1.00 22.52 H new ATOM 0 HG2 PRO A 11 13.300 11.840 -12.329 1.00 45.02 H new ATOM 0 HG3 PRO A 11 14.892 11.154 -12.587 1.00 45.02 H new ATOM 0 HD2 PRO A 11 12.645 9.941 -13.534 1.00 43.03 H new ATOM 0 HD3 PRO A 11 14.045 9.013 -13.035 1.00 43.03 H new ATOM 168 N HIS A 12 11.295 10.493 -8.545 1.00 54.32 N ATOM 169 CA HIS A 12 10.204 11.253 -7.944 1.00 22.23 C ATOM 170 C HIS A 12 10.674 11.973 -6.684 1.00 4.24 C ATOM 171 O HIS A 12 10.789 11.369 -5.617 1.00 40.30 O ATOM 172 CB HIS A 12 9.034 10.328 -7.610 1.00 33.34 C ATOM 173 CG HIS A 12 7.747 11.054 -7.363 1.00 5.21 C ATOM 174 ND1 HIS A 12 7.151 11.869 -8.302 1.00 62.12 N ATOM 175 CD2 HIS A 12 6.942 11.084 -6.276 1.00 31.14 C ATOM 176 CE1 HIS A 12 6.035 12.370 -7.803 1.00 25.34 C ATOM 177 NE2 HIS A 12 5.885 11.908 -6.574 1.00 41.51 N ATOM 0 H HIS A 12 11.699 9.781 -7.936 1.00 54.32 H new ATOM 0 HA HIS A 12 9.873 11.999 -8.666 1.00 22.23 H new ATOM 0 HB2 HIS A 12 8.893 9.624 -8.430 1.00 33.34 H new ATOM 0 HB3 HIS A 12 9.286 9.742 -6.726 1.00 33.34 H new ATOM 0 HD2 HIS A 12 7.101 10.558 -5.347 1.00 31.14 H new ATOM 0 HE1 HIS A 12 5.361 13.042 -8.312 1.00 25.34 H new ATOM 0 HE2 HIS A 12 5.110 12.128 -5.948 1.00 41.51 H new ATOM 185 N VAL A 13 10.946 13.268 -6.814 1.00 62.14 N ATOM 186 CA VAL A 13 11.404 14.071 -5.687 1.00 33.34 C ATOM 187 C VAL A 13 10.242 14.453 -4.777 1.00 55.30 C ATOM 188 O VAL A 13 9.196 14.904 -5.246 1.00 10.43 O ATOM 189 CB VAL A 13 12.113 15.353 -6.161 1.00 62.34 C ATOM 190 CG1 VAL A 13 13.423 15.012 -6.855 1.00 43.32 C ATOM 191 CG2 VAL A 13 11.205 16.154 -7.082 1.00 62.21 C ATOM 0 H VAL A 13 10.857 13.783 -7.690 1.00 62.14 H new ATOM 0 HA VAL A 13 12.113 13.458 -5.130 1.00 33.34 H new ATOM 0 HB VAL A 13 12.340 15.966 -5.289 1.00 62.34 H new ATOM 0 HG11 VAL A 13 13.910 15.930 -7.183 1.00 43.32 H new ATOM 0 HG12 VAL A 13 14.076 14.483 -6.161 1.00 43.32 H new ATOM 0 HG13 VAL A 13 13.223 14.378 -7.719 1.00 43.32 H new ATOM 0 HG21 VAL A 13 11.722 17.057 -7.408 1.00 62.21 H new ATOM 0 HG22 VAL A 13 10.946 15.551 -7.952 1.00 62.21 H new ATOM 0 HG23 VAL A 13 10.296 16.429 -6.547 1.00 62.21 H new ATOM 201 N ILE A 14 10.432 14.271 -3.475 1.00 32.32 N ATOM 202 CA ILE A 14 9.400 14.598 -2.499 1.00 54.42 C ATOM 203 C ILE A 14 9.246 16.108 -2.348 1.00 34.11 C ATOM 204 O ILE A 14 9.970 16.883 -2.973 1.00 54.10 O ATOM 205 CB ILE A 14 9.712 13.985 -1.121 1.00 60.05 C ATOM 206 CG1 ILE A 14 10.688 14.877 -0.351 1.00 72.12 C ATOM 207 CG2 ILE A 14 10.281 12.583 -1.283 1.00 3.34 C ATOM 208 CD1 ILE A 14 11.956 15.186 -1.116 1.00 12.52 C ATOM 0 H ILE A 14 11.291 13.899 -3.071 1.00 32.32 H new ATOM 0 HA ILE A 14 8.468 14.175 -2.872 1.00 54.42 H new ATOM 0 HB ILE A 14 8.786 13.917 -0.551 1.00 60.05 H new ATOM 0 HG12 ILE A 14 10.190 15.812 -0.097 1.00 72.12 H new ATOM 0 HG13 ILE A 14 10.949 14.390 0.588 1.00 72.12 H new ATOM 0 HG21 ILE A 14 10.497 12.162 -0.301 1.00 3.34 H new ATOM 0 HG22 ILE A 14 9.555 11.953 -1.796 1.00 3.34 H new ATOM 0 HG23 ILE A 14 11.200 12.628 -1.868 1.00 3.34 H new ATOM 0 HD11 ILE A 14 12.601 15.822 -0.510 1.00 12.52 H new ATOM 0 HD12 ILE A 14 12.477 14.257 -1.347 1.00 12.52 H new ATOM 0 HD13 ILE A 14 11.705 15.702 -2.043 1.00 12.52 H new ATOM 220 N LYS A 15 8.298 16.520 -1.512 1.00 62.42 N ATOM 221 CA LYS A 15 8.050 17.937 -1.275 1.00 33.43 C ATOM 222 C LYS A 15 7.384 18.153 0.081 1.00 72.54 C ATOM 223 O LYS A 15 6.716 19.163 0.301 1.00 74.35 O ATOM 224 CB LYS A 15 7.169 18.514 -2.385 1.00 43.22 C ATOM 225 CG LYS A 15 7.628 19.875 -2.880 1.00 4.05 C ATOM 226 CD LYS A 15 6.665 20.974 -2.463 1.00 72.32 C ATOM 227 CE LYS A 15 5.371 20.912 -3.261 1.00 1.14 C ATOM 228 NZ LYS A 15 5.322 21.958 -4.320 1.00 30.33 N ATOM 0 H LYS A 15 7.689 15.892 -0.987 1.00 62.42 H new ATOM 0 HA LYS A 15 9.010 18.454 -1.276 1.00 33.43 H new ATOM 0 HB2 LYS A 15 7.153 17.818 -3.224 1.00 43.22 H new ATOM 0 HB3 LYS A 15 6.145 18.596 -2.019 1.00 43.22 H new ATOM 0 HG2 LYS A 15 8.621 20.091 -2.485 1.00 4.05 H new ATOM 0 HG3 LYS A 15 7.714 19.858 -3.966 1.00 4.05 H new ATOM 0 HD2 LYS A 15 6.443 20.881 -1.400 1.00 72.32 H new ATOM 0 HD3 LYS A 15 7.136 21.946 -2.607 1.00 72.32 H new ATOM 0 HE2 LYS A 15 5.273 19.927 -3.718 1.00 1.14 H new ATOM 0 HE3 LYS A 15 4.523 21.037 -2.588 1.00 1.14 H new ATOM 0 HZ1 LYS A 15 4.425 21.883 -4.841 1.00 30.33 H new ATOM 0 HZ2 LYS A 15 5.390 22.899 -3.882 1.00 30.33 H new ATOM 0 HZ3 LYS A 15 6.117 21.824 -4.977 1.00 30.33 H new ATOM 242 N SER A 16 7.572 17.198 0.986 1.00 32.21 N ATOM 243 CA SER A 16 6.987 17.283 2.319 1.00 22.03 C ATOM 244 C SER A 16 7.368 16.067 3.158 1.00 4.13 C ATOM 245 O SER A 16 7.794 15.040 2.627 1.00 13.23 O ATOM 246 CB SER A 16 5.464 17.395 2.225 1.00 23.22 C ATOM 247 OG SER A 16 5.026 18.697 2.571 1.00 43.41 O ATOM 0 H SER A 16 8.125 16.357 0.821 1.00 32.21 H new ATOM 0 HA SER A 16 7.380 18.176 2.805 1.00 22.03 H new ATOM 0 HB2 SER A 16 5.141 17.156 1.212 1.00 23.22 H new ATOM 0 HB3 SER A 16 5.001 16.664 2.888 1.00 23.22 H new ATOM 0 HG SER A 16 5.419 19.349 1.954 1.00 43.41 H new ATOM 253 N LEU A 17 7.213 16.190 4.472 1.00 41.52 N ATOM 254 CA LEU A 17 7.541 15.102 5.387 1.00 55.35 C ATOM 255 C LEU A 17 6.691 13.870 5.093 1.00 70.10 C ATOM 256 O LEU A 17 7.218 12.779 4.879 1.00 74.41 O ATOM 257 CB LEU A 17 7.331 15.547 6.835 1.00 20.11 C ATOM 258 CG LEU A 17 8.328 14.998 7.856 1.00 10.35 C ATOM 259 CD1 LEU A 17 9.734 15.488 7.546 1.00 60.51 C ATOM 260 CD2 LEU A 17 7.921 15.399 9.267 1.00 3.01 C ATOM 0 H LEU A 17 6.862 17.032 4.928 1.00 41.52 H new ATOM 0 HA LEU A 17 8.589 14.841 5.242 1.00 55.35 H new ATOM 0 HB2 LEU A 17 7.369 16.636 6.869 1.00 20.11 H new ATOM 0 HB3 LEU A 17 6.327 15.253 7.143 1.00 20.11 H new ATOM 0 HG LEU A 17 8.322 13.910 7.792 1.00 10.35 H new ATOM 0 HD11 LEU A 17 10.430 15.087 8.283 1.00 60.51 H new ATOM 0 HD12 LEU A 17 10.026 15.151 6.551 1.00 60.51 H new ATOM 0 HD13 LEU A 17 9.756 16.577 7.581 1.00 60.51 H new ATOM 0 HD21 LEU A 17 8.642 15.000 9.981 1.00 3.01 H new ATOM 0 HD22 LEU A 17 7.898 16.486 9.344 1.00 3.01 H new ATOM 0 HD23 LEU A 17 6.932 14.999 9.488 1.00 3.01 H new ATOM 272 N GLU A 18 5.374 14.054 5.083 1.00 64.32 N ATOM 273 CA GLU A 18 4.453 12.956 4.814 1.00 53.32 C ATOM 274 C GLU A 18 4.827 12.236 3.522 1.00 72.14 C ATOM 275 O GLU A 18 4.890 11.008 3.480 1.00 35.31 O ATOM 276 CB GLU A 18 3.017 13.477 4.723 1.00 51.42 C ATOM 277 CG GLU A 18 1.973 12.465 5.164 1.00 51.24 C ATOM 278 CD GLU A 18 1.734 11.384 4.127 1.00 2.32 C ATOM 279 OE1 GLU A 18 1.540 10.216 4.524 1.00 73.04 O ATOM 280 OE2 GLU A 18 1.742 11.706 2.921 1.00 42.12 O ATOM 0 H GLU A 18 4.922 14.951 5.258 1.00 64.32 H new ATOM 0 HA GLU A 18 4.523 12.246 5.638 1.00 53.32 H new ATOM 0 HB2 GLU A 18 2.925 14.373 5.337 1.00 51.42 H new ATOM 0 HB3 GLU A 18 2.812 13.774 3.694 1.00 51.42 H new ATOM 0 HG2 GLU A 18 2.292 12.003 6.098 1.00 51.24 H new ATOM 0 HG3 GLU A 18 1.035 12.981 5.368 1.00 51.24 H new ATOM 287 N GLU A 19 5.074 13.010 2.469 1.00 14.14 N ATOM 288 CA GLU A 19 5.440 12.446 1.176 1.00 71.32 C ATOM 289 C GLU A 19 6.598 11.462 1.319 1.00 12.25 C ATOM 290 O GLU A 19 6.655 10.447 0.625 1.00 71.25 O ATOM 291 CB GLU A 19 5.821 13.559 0.198 1.00 54.30 C ATOM 292 CG GLU A 19 5.596 13.193 -1.259 1.00 73.14 C ATOM 293 CD GLU A 19 4.149 13.351 -1.684 1.00 34.40 C ATOM 294 OE1 GLU A 19 3.273 12.726 -1.049 1.00 2.14 O ATOM 295 OE2 GLU A 19 3.891 14.098 -2.651 1.00 24.51 O ATOM 0 H GLU A 19 5.027 14.029 2.487 1.00 14.14 H new ATOM 0 HA GLU A 19 4.575 11.909 0.786 1.00 71.32 H new ATOM 0 HB2 GLU A 19 5.241 14.452 0.433 1.00 54.30 H new ATOM 0 HB3 GLU A 19 6.871 13.814 0.342 1.00 54.30 H new ATOM 0 HG2 GLU A 19 6.226 13.821 -1.889 1.00 73.14 H new ATOM 0 HG3 GLU A 19 5.908 12.162 -1.423 1.00 73.14 H new ATOM 302 N LEU A 20 7.519 11.771 2.225 1.00 22.23 N ATOM 303 CA LEU A 20 8.677 10.915 2.461 1.00 1.30 C ATOM 304 C LEU A 20 8.259 9.598 3.107 1.00 54.33 C ATOM 305 O LEU A 20 8.410 8.530 2.515 1.00 71.44 O ATOM 306 CB LEU A 20 9.693 11.633 3.351 1.00 22.33 C ATOM 307 CG LEU A 20 11.166 11.391 3.018 1.00 11.05 C ATOM 308 CD1 LEU A 20 11.562 12.153 1.763 1.00 15.33 C ATOM 309 CD2 LEU A 20 12.050 11.793 4.190 1.00 64.03 C ATOM 0 H LEU A 20 7.487 12.607 2.808 1.00 22.23 H new ATOM 0 HA LEU A 20 9.138 10.695 1.498 1.00 1.30 H new ATOM 0 HB2 LEU A 20 9.500 12.704 3.297 1.00 22.33 H new ATOM 0 HB3 LEU A 20 9.520 11.330 4.384 1.00 22.33 H new ATOM 0 HG LEU A 20 11.307 10.326 2.831 1.00 11.05 H new ATOM 0 HD11 LEU A 20 12.613 11.969 1.542 1.00 15.33 H new ATOM 0 HD12 LEU A 20 10.951 11.817 0.925 1.00 15.33 H new ATOM 0 HD13 LEU A 20 11.406 13.220 1.921 1.00 15.33 H new ATOM 0 HD21 LEU A 20 13.095 11.614 3.936 1.00 64.03 H new ATOM 0 HD22 LEU A 20 11.906 12.851 4.408 1.00 64.03 H new ATOM 0 HD23 LEU A 20 11.783 11.202 5.066 1.00 64.03 H new ATOM 321 N ARG A 21 7.730 9.683 4.323 1.00 11.31 N ATOM 322 CA ARG A 21 7.288 8.498 5.049 1.00 43.43 C ATOM 323 C ARG A 21 6.304 7.685 4.214 1.00 53.03 C ATOM 324 O ARG A 21 6.191 6.471 4.379 1.00 71.13 O ATOM 325 CB ARG A 21 6.640 8.899 6.375 1.00 35.20 C ATOM 326 CG ARG A 21 7.522 8.644 7.586 1.00 31.11 C ATOM 327 CD ARG A 21 6.745 8.800 8.884 1.00 2.21 C ATOM 328 NE ARG A 21 6.050 10.083 8.955 1.00 70.41 N ATOM 329 CZ ARG A 21 5.100 10.355 9.842 1.00 12.42 C ATOM 330 NH1 ARG A 21 4.734 9.440 10.729 1.00 1.53 N ATOM 331 NH2 ARG A 21 4.514 11.546 9.844 1.00 72.13 N ATOM 0 H ARG A 21 7.597 10.560 4.826 1.00 11.31 H new ATOM 0 HA ARG A 21 8.162 7.880 5.252 1.00 43.43 H new ATOM 0 HB2 ARG A 21 6.384 9.958 6.339 1.00 35.20 H new ATOM 0 HB3 ARG A 21 5.706 8.349 6.494 1.00 35.20 H new ATOM 0 HG2 ARG A 21 7.939 7.638 7.529 1.00 31.11 H new ATOM 0 HG3 ARG A 21 8.362 9.338 7.578 1.00 31.11 H new ATOM 0 HD2 ARG A 21 6.021 7.990 8.973 1.00 2.21 H new ATOM 0 HD3 ARG A 21 7.428 8.711 9.729 1.00 2.21 H new ATOM 0 HE ARG A 21 6.308 10.809 8.287 1.00 70.41 H new ATOM 0 HH11 ARG A 21 5.183 8.524 10.731 1.00 1.53 H new ATOM 0 HH12 ARG A 21 4.004 9.652 11.409 1.00 1.53 H new ATOM 0 HH21 ARG A 21 4.793 12.253 9.164 1.00 72.13 H new ATOM 0 HH22 ARG A 21 3.784 11.754 10.526 1.00 72.13 H new ATOM 345 N GLU A 22 5.593 8.364 3.318 1.00 64.41 N ATOM 346 CA GLU A 22 4.618 7.703 2.459 1.00 53.43 C ATOM 347 C GLU A 22 5.310 6.966 1.316 1.00 31.21 C ATOM 348 O GLU A 22 4.823 5.941 0.840 1.00 51.04 O ATOM 349 CB GLU A 22 3.627 8.725 1.895 1.00 25.22 C ATOM 350 CG GLU A 22 2.473 8.097 1.133 1.00 60.33 C ATOM 351 CD GLU A 22 2.459 8.489 -0.332 1.00 1.11 C ATOM 352 OE1 GLU A 22 2.154 9.663 -0.628 1.00 11.51 O ATOM 353 OE2 GLU A 22 2.753 7.623 -1.182 1.00 31.33 O ATOM 0 H GLU A 22 5.674 9.370 3.169 1.00 64.41 H new ATOM 0 HA GLU A 22 4.076 6.975 3.062 1.00 53.43 H new ATOM 0 HB2 GLU A 22 3.228 9.322 2.715 1.00 25.22 H new ATOM 0 HB3 GLU A 22 4.160 9.408 1.233 1.00 25.22 H new ATOM 0 HG2 GLU A 22 2.537 7.012 1.214 1.00 60.33 H new ATOM 0 HG3 GLU A 22 1.532 8.397 1.594 1.00 60.33 H new ATOM 360 N ALA A 23 6.449 7.496 0.881 1.00 35.34 N ATOM 361 CA ALA A 23 7.209 6.888 -0.204 1.00 12.04 C ATOM 362 C ALA A 23 7.985 5.670 0.285 1.00 5.22 C ATOM 363 O ALA A 23 8.293 4.764 -0.490 1.00 44.32 O ATOM 364 CB ALA A 23 8.155 7.907 -0.820 1.00 42.34 C ATOM 0 H ALA A 23 6.865 8.345 1.264 1.00 35.34 H new ATOM 0 HA ALA A 23 6.505 6.555 -0.966 1.00 12.04 H new ATOM 0 HB1 ALA A 23 8.716 7.440 -1.629 1.00 42.34 H new ATOM 0 HB2 ALA A 23 7.580 8.745 -1.214 1.00 42.34 H new ATOM 0 HB3 ALA A 23 8.847 8.267 -0.059 1.00 42.34 H new ATOM 370 N THR A 24 8.301 5.654 1.577 1.00 52.24 N ATOM 371 CA THR A 24 9.043 4.549 2.169 1.00 63.45 C ATOM 372 C THR A 24 8.156 3.322 2.344 1.00 33.13 C ATOM 373 O THR A 24 8.648 2.202 2.477 1.00 70.22 O ATOM 374 CB THR A 24 9.637 4.939 3.535 1.00 23.42 C ATOM 375 OG1 THR A 24 8.982 6.108 4.038 1.00 0.24 O ATOM 376 CG2 THR A 24 11.132 5.198 3.422 1.00 71.24 C ATOM 0 H THR A 24 8.054 6.395 2.233 1.00 52.24 H new ATOM 0 HA THR A 24 9.856 4.311 1.483 1.00 63.45 H new ATOM 0 HB THR A 24 9.480 4.110 4.225 1.00 23.42 H new ATOM 0 HG1 THR A 24 8.036 5.909 4.199 1.00 0.24 H new ATOM 0 HG21 THR A 24 11.529 5.472 4.400 1.00 71.24 H new ATOM 0 HG22 THR A 24 11.632 4.297 3.067 1.00 71.24 H new ATOM 0 HG23 THR A 24 11.308 6.011 2.718 1.00 71.24 H new ATOM 384 N ALA A 25 6.845 3.541 2.344 1.00 71.31 N ATOM 385 CA ALA A 25 5.889 2.452 2.501 1.00 74.14 C ATOM 386 C ALA A 25 5.741 1.660 1.206 1.00 50.23 C ATOM 387 O ALA A 25 5.380 0.484 1.224 1.00 34.30 O ATOM 388 CB ALA A 25 4.539 2.995 2.946 1.00 31.12 C ATOM 0 H ALA A 25 6.421 4.463 2.237 1.00 71.31 H new ATOM 0 HA ALA A 25 6.268 1.777 3.268 1.00 74.14 H new ATOM 0 HB1 ALA A 25 3.835 2.171 3.059 1.00 31.12 H new ATOM 0 HB2 ALA A 25 4.651 3.511 3.900 1.00 31.12 H new ATOM 0 HB3 ALA A 25 4.163 3.693 2.198 1.00 31.12 H new ATOM 394 N SER A 26 6.022 2.313 0.083 1.00 42.53 N ATOM 395 CA SER A 26 5.916 1.671 -1.222 1.00 42.42 C ATOM 396 C SER A 26 6.695 0.360 -1.247 1.00 62.21 C ATOM 397 O SER A 26 7.801 0.272 -0.714 1.00 75.34 O ATOM 398 CB SER A 26 6.433 2.606 -2.318 1.00 24.15 C ATOM 399 OG SER A 26 7.841 2.753 -2.240 1.00 33.21 O ATOM 0 H SER A 26 6.325 3.286 0.051 1.00 42.53 H new ATOM 0 HA SER A 26 4.864 1.452 -1.407 1.00 42.42 H new ATOM 0 HB2 SER A 26 6.159 2.211 -3.296 1.00 24.15 H new ATOM 0 HB3 SER A 26 5.956 3.582 -2.223 1.00 24.15 H new ATOM 0 HG SER A 26 8.058 3.553 -1.718 1.00 33.21 H new ATOM 405 N ASN A 27 6.109 -0.657 -1.870 1.00 63.45 N ATOM 406 CA ASN A 27 6.747 -1.965 -1.965 1.00 62.42 C ATOM 407 C ASN A 27 7.731 -2.008 -3.131 1.00 14.11 C ATOM 408 O ASN A 27 7.634 -2.868 -4.006 1.00 64.14 O ATOM 409 CB ASN A 27 5.691 -3.060 -2.134 1.00 4.11 C ATOM 410 CG ASN A 27 4.919 -2.923 -3.432 1.00 64.30 C ATOM 411 OD1 ASN A 27 4.845 -1.840 -4.012 1.00 14.34 O ATOM 412 ND2 ASN A 27 4.340 -4.025 -3.895 1.00 23.25 N ATOM 0 H ASN A 27 5.194 -0.601 -2.317 1.00 63.45 H new ATOM 0 HA ASN A 27 7.298 -2.140 -1.041 1.00 62.42 H new ATOM 0 HB2 ASN A 27 6.175 -4.036 -2.104 1.00 4.11 H new ATOM 0 HB3 ASN A 27 4.996 -3.023 -1.295 1.00 4.11 H new ATOM 0 HD21 ASN A 27 3.808 -3.995 -4.765 1.00 23.25 H new ATOM 0 HD22 ASN A 27 4.428 -4.902 -3.381 1.00 23.25 H new ATOM 419 N ARG A 28 8.676 -1.074 -3.135 1.00 22.15 N ATOM 420 CA ARG A 28 9.677 -1.004 -4.192 1.00 70.34 C ATOM 421 C ARG A 28 11.056 -0.697 -3.616 1.00 42.05 C ATOM 422 O ARG A 28 11.254 -0.730 -2.401 1.00 54.55 O ATOM 423 CB ARG A 28 9.292 0.063 -5.219 1.00 33.24 C ATOM 424 CG ARG A 28 9.454 -0.392 -6.660 1.00 0.41 C ATOM 425 CD ARG A 28 8.357 -1.364 -7.064 1.00 61.03 C ATOM 426 NE ARG A 28 8.883 -2.698 -7.343 1.00 3.41 N ATOM 427 CZ ARG A 28 9.542 -3.011 -8.453 1.00 51.42 C ATOM 428 NH1 ARG A 28 9.754 -2.090 -9.384 1.00 23.33 N ATOM 429 NH2 ARG A 28 9.990 -4.246 -8.634 1.00 61.41 N ATOM 0 H ARG A 28 8.769 -0.355 -2.418 1.00 22.15 H new ATOM 0 HA ARG A 28 9.716 -1.975 -4.685 1.00 70.34 H new ATOM 0 HB2 ARG A 28 8.255 0.357 -5.054 1.00 33.24 H new ATOM 0 HB3 ARG A 28 9.904 0.950 -5.056 1.00 33.24 H new ATOM 0 HG2 ARG A 28 9.435 0.475 -7.321 1.00 0.41 H new ATOM 0 HG3 ARG A 28 10.427 -0.867 -6.785 1.00 0.41 H new ATOM 0 HD2 ARG A 28 7.616 -1.426 -6.267 1.00 61.03 H new ATOM 0 HD3 ARG A 28 7.844 -0.985 -7.948 1.00 61.03 H new ATOM 0 HE ARG A 28 8.736 -3.429 -6.647 1.00 3.41 H new ATOM 0 HH11 ARG A 28 9.411 -1.139 -9.248 1.00 23.33 H new ATOM 0 HH12 ARG A 28 10.260 -2.333 -10.236 1.00 23.33 H new ATOM 0 HH21 ARG A 28 9.829 -4.957 -7.920 1.00 61.41 H new ATOM 0 HH22 ARG A 28 10.496 -4.485 -9.487 1.00 61.41 H new ATOM 443 N ILE A 29 12.006 -0.400 -4.497 1.00 2.34 N ATOM 444 CA ILE A 29 13.366 -0.086 -4.075 1.00 60.34 C ATOM 445 C ILE A 29 13.744 1.342 -4.455 1.00 32.41 C ATOM 446 O ILE A 29 13.952 1.648 -5.629 1.00 2.44 O ATOM 447 CB ILE A 29 14.386 -1.058 -4.698 1.00 2.22 C ATOM 448 CG1 ILE A 29 13.908 -2.503 -4.542 1.00 53.21 C ATOM 449 CG2 ILE A 29 15.753 -0.874 -4.055 1.00 33.52 C ATOM 450 CD1 ILE A 29 13.785 -2.947 -3.101 1.00 45.03 C ATOM 0 H ILE A 29 11.859 -0.370 -5.506 1.00 2.34 H new ATOM 0 HA ILE A 29 13.392 -0.189 -2.990 1.00 60.34 H new ATOM 0 HB ILE A 29 14.473 -0.837 -5.762 1.00 2.22 H new ATOM 0 HG12 ILE A 29 12.940 -2.612 -5.031 1.00 53.21 H new ATOM 0 HG13 ILE A 29 14.603 -3.165 -5.060 1.00 53.21 H new ATOM 0 HG21 ILE A 29 16.463 -1.567 -4.505 1.00 33.52 H new ATOM 0 HG22 ILE A 29 16.095 0.149 -4.213 1.00 33.52 H new ATOM 0 HG23 ILE A 29 15.682 -1.072 -2.985 1.00 33.52 H new ATOM 0 HD11 ILE A 29 13.442 -3.981 -3.067 1.00 45.03 H new ATOM 0 HD12 ILE A 29 14.757 -2.871 -2.613 1.00 45.03 H new ATOM 0 HD13 ILE A 29 13.068 -2.309 -2.584 1.00 45.03 H new ATOM 462 N SER A 30 13.832 2.211 -3.453 1.00 72.31 N ATOM 463 CA SER A 30 14.183 3.607 -3.682 1.00 11.45 C ATOM 464 C SER A 30 15.441 3.985 -2.906 1.00 45.12 C ATOM 465 O SER A 30 15.766 3.371 -1.890 1.00 24.30 O ATOM 466 CB SER A 30 13.025 4.520 -3.272 1.00 61.22 C ATOM 467 OG SER A 30 11.825 3.782 -3.117 1.00 51.42 O ATOM 0 H SER A 30 13.665 1.973 -2.475 1.00 72.31 H new ATOM 0 HA SER A 30 14.380 3.736 -4.746 1.00 11.45 H new ATOM 0 HB2 SER A 30 13.269 5.025 -2.337 1.00 61.22 H new ATOM 0 HB3 SER A 30 12.884 5.295 -4.025 1.00 61.22 H new ATOM 0 HG SER A 30 11.865 3.263 -2.287 1.00 51.42 H new ATOM 473 N VAL A 31 16.147 5.001 -3.394 1.00 32.13 N ATOM 474 CA VAL A 31 17.369 5.463 -2.747 1.00 64.43 C ATOM 475 C VAL A 31 17.170 6.832 -2.108 1.00 53.23 C ATOM 476 O VAL A 31 16.923 7.821 -2.800 1.00 22.22 O ATOM 477 CB VAL A 31 18.538 5.540 -3.748 1.00 1.45 C ATOM 478 CG1 VAL A 31 19.870 5.548 -3.013 1.00 41.50 C ATOM 479 CG2 VAL A 31 18.471 4.385 -4.735 1.00 45.20 C ATOM 0 H VAL A 31 15.893 5.519 -4.235 1.00 32.13 H new ATOM 0 HA VAL A 31 17.611 4.736 -1.971 1.00 64.43 H new ATOM 0 HB VAL A 31 18.454 6.471 -4.308 1.00 1.45 H new ATOM 0 HG11 VAL A 31 20.684 5.603 -3.736 1.00 41.50 H new ATOM 0 HG12 VAL A 31 19.915 6.412 -2.350 1.00 41.50 H new ATOM 0 HG13 VAL A 31 19.967 4.635 -2.426 1.00 41.50 H new ATOM 0 HG21 VAL A 31 19.304 4.455 -5.434 1.00 45.20 H new ATOM 0 HG22 VAL A 31 18.530 3.440 -4.194 1.00 45.20 H new ATOM 0 HG23 VAL A 31 17.531 4.430 -5.285 1.00 45.20 H new ATOM 489 N ILE A 32 17.278 6.883 -0.785 1.00 2.00 N ATOM 490 CA ILE A 32 17.111 8.132 -0.053 1.00 2.23 C ATOM 491 C ILE A 32 18.444 8.854 0.115 1.00 60.14 C ATOM 492 O ILE A 32 19.259 8.487 0.961 1.00 63.42 O ATOM 493 CB ILE A 32 16.492 7.892 1.337 1.00 64.30 C ATOM 494 CG1 ILE A 32 15.120 7.230 1.201 1.00 55.25 C ATOM 495 CG2 ILE A 32 16.381 9.202 2.101 1.00 3.43 C ATOM 496 CD1 ILE A 32 15.008 5.913 1.936 1.00 14.21 C ATOM 0 H ILE A 32 17.480 6.074 -0.198 1.00 2.00 H new ATOM 0 HA ILE A 32 16.435 8.753 -0.641 1.00 2.23 H new ATOM 0 HB ILE A 32 17.144 7.222 1.898 1.00 64.30 H new ATOM 0 HG12 ILE A 32 14.358 7.912 1.577 1.00 55.25 H new ATOM 0 HG13 ILE A 32 14.908 7.066 0.144 1.00 55.25 H new ATOM 0 HG21 ILE A 32 15.942 9.016 3.081 1.00 3.43 H new ATOM 0 HG22 ILE A 32 17.373 9.636 2.225 1.00 3.43 H new ATOM 0 HG23 ILE A 32 15.748 9.895 1.546 1.00 3.43 H new ATOM 0 HD11 ILE A 32 14.009 5.502 1.795 1.00 14.21 H new ATOM 0 HD12 ILE A 32 15.747 5.214 1.544 1.00 14.21 H new ATOM 0 HD13 ILE A 32 15.188 6.073 2.999 1.00 14.21 H new ATOM 508 N VAL A 33 18.659 9.885 -0.697 1.00 73.50 N ATOM 509 CA VAL A 33 19.892 10.661 -0.637 1.00 75.34 C ATOM 510 C VAL A 33 19.643 12.042 -0.043 1.00 52.41 C ATOM 511 O VAL A 33 19.049 12.909 -0.686 1.00 21.35 O ATOM 512 CB VAL A 33 20.522 10.820 -2.033 1.00 43.45 C ATOM 513 CG1 VAL A 33 21.913 11.426 -1.925 1.00 43.20 C ATOM 514 CG2 VAL A 33 20.570 9.481 -2.753 1.00 31.34 C ATOM 0 H VAL A 33 17.995 10.202 -1.404 1.00 73.50 H new ATOM 0 HA VAL A 33 20.582 10.112 0.004 1.00 75.34 H new ATOM 0 HB VAL A 33 19.900 11.498 -2.617 1.00 43.45 H new ATOM 0 HG11 VAL A 33 22.343 11.531 -2.921 1.00 43.20 H new ATOM 0 HG12 VAL A 33 21.847 12.406 -1.453 1.00 43.20 H new ATOM 0 HG13 VAL A 33 22.547 10.776 -1.323 1.00 43.20 H new ATOM 0 HG21 VAL A 33 21.018 9.613 -3.738 1.00 31.34 H new ATOM 0 HG22 VAL A 33 21.168 8.778 -2.174 1.00 31.34 H new ATOM 0 HG23 VAL A 33 19.558 9.091 -2.864 1.00 31.34 H new ATOM 524 N PHE A 34 20.101 12.242 1.188 1.00 3.01 N ATOM 525 CA PHE A 34 19.928 13.519 1.871 1.00 44.14 C ATOM 526 C PHE A 34 20.930 14.550 1.358 1.00 71.23 C ATOM 527 O PHE A 34 22.137 14.416 1.562 1.00 71.21 O ATOM 528 CB PHE A 34 20.092 13.340 3.381 1.00 11.44 C ATOM 529 CG PHE A 34 19.581 12.022 3.888 1.00 70.12 C ATOM 530 CD1 PHE A 34 20.450 10.966 4.110 1.00 3.33 C ATOM 531 CD2 PHE A 34 18.231 11.838 4.141 1.00 41.02 C ATOM 532 CE1 PHE A 34 19.984 9.752 4.577 1.00 75.34 C ATOM 533 CE2 PHE A 34 17.759 10.626 4.608 1.00 53.04 C ATOM 534 CZ PHE A 34 18.636 9.581 4.825 1.00 53.24 C ATOM 0 H PHE A 34 20.595 11.536 1.734 1.00 3.01 H new ATOM 0 HA PHE A 34 18.921 13.881 1.662 1.00 44.14 H new ATOM 0 HB2 PHE A 34 21.147 13.434 3.637 1.00 11.44 H new ATOM 0 HB3 PHE A 34 19.566 14.146 3.893 1.00 11.44 H new ATOM 0 HD1 PHE A 34 21.505 11.093 3.916 1.00 3.33 H new ATOM 0 HD2 PHE A 34 17.540 12.651 3.971 1.00 41.02 H new ATOM 0 HE1 PHE A 34 20.673 8.938 4.748 1.00 75.34 H new ATOM 0 HE2 PHE A 34 16.705 10.496 4.803 1.00 53.04 H new ATOM 0 HZ PHE A 34 18.268 8.632 5.188 1.00 53.24 H new ATOM 544 N THR A 35 20.420 15.580 0.689 1.00 22.21 N ATOM 545 CA THR A 35 21.268 16.633 0.145 1.00 62.21 C ATOM 546 C THR A 35 20.526 17.963 0.091 1.00 4.42 C ATOM 547 O THR A 35 19.313 18.001 -0.116 1.00 0.43 O ATOM 548 CB THR A 35 21.766 16.278 -1.269 1.00 5.41 C ATOM 549 OG1 THR A 35 20.937 15.261 -1.840 1.00 33.40 O ATOM 550 CG2 THR A 35 23.210 15.800 -1.230 1.00 0.12 C ATOM 0 H THR A 35 19.424 15.707 0.511 1.00 22.21 H new ATOM 0 HA THR A 35 22.125 16.725 0.812 1.00 62.21 H new ATOM 0 HB THR A 35 21.714 17.176 -1.884 1.00 5.41 H new ATOM 0 HG1 THR A 35 21.418 14.819 -2.571 1.00 33.40 H new ATOM 0 HG21 THR A 35 23.540 15.555 -2.240 1.00 0.12 H new ATOM 0 HG22 THR A 35 23.843 16.588 -0.823 1.00 0.12 H new ATOM 0 HG23 THR A 35 23.283 14.914 -0.600 1.00 0.12 H new ATOM 558 N HIS A 36 21.263 19.054 0.278 1.00 13.22 N ATOM 559 CA HIS A 36 20.674 20.388 0.250 1.00 52.34 C ATOM 560 C HIS A 36 19.842 20.588 -1.014 1.00 0.02 C ATOM 561 O HIS A 36 20.067 19.949 -2.042 1.00 45.50 O ATOM 562 CB HIS A 36 21.768 21.454 0.328 1.00 71.55 C ATOM 563 CG HIS A 36 22.540 21.426 1.610 1.00 3.15 C ATOM 564 ND1 HIS A 36 23.798 21.976 1.744 1.00 71.43 N ATOM 565 CD2 HIS A 36 22.225 20.912 2.822 1.00 5.25 C ATOM 566 CE1 HIS A 36 24.224 21.799 2.982 1.00 41.44 C ATOM 567 NE2 HIS A 36 23.288 21.157 3.657 1.00 22.00 N ATOM 0 H HIS A 36 22.268 19.040 0.450 1.00 13.22 H new ATOM 0 HA HIS A 36 20.019 20.487 1.115 1.00 52.34 H new ATOM 0 HB2 HIS A 36 22.458 21.317 -0.505 1.00 71.55 H new ATOM 0 HB3 HIS A 36 21.315 22.438 0.208 1.00 71.55 H new ATOM 0 HD2 HIS A 36 21.309 20.404 3.084 1.00 5.25 H new ATOM 0 HE1 HIS A 36 25.176 22.124 3.375 1.00 41.44 H new ATOM 0 HE2 HIS A 36 23.345 20.887 4.639 1.00 22.00 H new ATOM 575 N PRO A 37 18.856 21.495 -0.937 1.00 24.51 N ATOM 576 CA PRO A 37 17.971 21.799 -2.065 1.00 21.10 C ATOM 577 C PRO A 37 18.694 22.536 -3.187 1.00 64.10 C ATOM 578 O PRO A 37 18.538 22.204 -4.362 1.00 52.23 O ATOM 579 CB PRO A 37 16.898 22.695 -1.442 1.00 33.32 C ATOM 580 CG PRO A 37 17.562 23.318 -0.263 1.00 42.43 C ATOM 581 CD PRO A 37 18.531 22.293 0.257 1.00 72.40 C ATOM 0 HA PRO A 37 17.575 20.895 -2.528 1.00 21.10 H new ATOM 0 HB2 PRO A 37 16.555 23.451 -2.148 1.00 33.32 H new ATOM 0 HB3 PRO A 37 16.023 22.117 -1.144 1.00 33.32 H new ATOM 0 HG2 PRO A 37 18.079 24.235 -0.546 1.00 42.43 H new ATOM 0 HG3 PRO A 37 16.831 23.586 0.500 1.00 42.43 H new ATOM 0 HD2 PRO A 37 19.419 22.759 0.683 1.00 72.40 H new ATOM 0 HD3 PRO A 37 18.086 21.680 1.041 1.00 72.40 H new ATOM 589 N ASP A 38 19.486 23.536 -2.817 1.00 42.31 N ATOM 590 CA ASP A 38 20.235 24.320 -3.793 1.00 22.51 C ATOM 591 C ASP A 38 21.694 24.462 -3.371 1.00 63.40 C ATOM 592 O ASP A 38 22.063 25.417 -2.688 1.00 21.22 O ATOM 593 CB ASP A 38 19.603 25.702 -3.962 1.00 44.10 C ATOM 594 CG ASP A 38 20.400 26.592 -4.896 1.00 13.33 C ATOM 595 OD1 ASP A 38 20.808 26.109 -5.972 1.00 62.45 O ATOM 596 OD2 ASP A 38 20.614 27.773 -4.550 1.00 72.12 O ATOM 0 H ASP A 38 19.626 23.823 -1.848 1.00 42.31 H new ATOM 0 HA ASP A 38 20.201 23.795 -4.748 1.00 22.51 H new ATOM 0 HB2 ASP A 38 18.590 25.590 -4.348 1.00 44.10 H new ATOM 0 HB3 ASP A 38 19.522 26.183 -2.987 1.00 44.10 H new ATOM 601 N SER A 39 22.520 23.504 -3.782 1.00 13.20 N ATOM 602 CA SER A 39 23.938 23.520 -3.443 1.00 32.14 C ATOM 603 C SER A 39 24.791 23.755 -4.685 1.00 63.32 C ATOM 604 O SER A 39 24.998 22.848 -5.492 1.00 31.32 O ATOM 605 CB SER A 39 24.339 22.203 -2.776 1.00 31.50 C ATOM 606 OG SER A 39 25.382 22.403 -1.837 1.00 75.33 O ATOM 0 H SER A 39 22.231 22.708 -4.350 1.00 13.20 H new ATOM 0 HA SER A 39 24.110 24.340 -2.745 1.00 32.14 H new ATOM 0 HB2 SER A 39 23.474 21.767 -2.276 1.00 31.50 H new ATOM 0 HB3 SER A 39 24.661 21.490 -3.535 1.00 31.50 H new ATOM 0 HG SER A 39 25.306 21.741 -1.118 1.00 75.33 H new ATOM 612 N LYS A 40 25.285 24.979 -4.833 1.00 41.32 N ATOM 613 CA LYS A 40 26.118 25.336 -5.976 1.00 14.22 C ATOM 614 C LYS A 40 27.526 24.771 -5.821 1.00 34.51 C ATOM 615 O LYS A 40 28.040 24.106 -6.720 1.00 60.15 O ATOM 616 CB LYS A 40 26.182 26.857 -6.131 1.00 12.32 C ATOM 617 CG LYS A 40 25.189 27.408 -7.139 1.00 53.43 C ATOM 618 CD LYS A 40 25.443 28.879 -7.426 1.00 34.13 C ATOM 619 CE LYS A 40 25.040 29.754 -6.248 1.00 61.42 C ATOM 620 NZ LYS A 40 24.988 31.195 -6.620 1.00 25.31 N ATOM 0 H LYS A 40 25.123 25.742 -4.175 1.00 41.32 H new ATOM 0 HA LYS A 40 25.669 24.904 -6.870 1.00 14.22 H new ATOM 0 HB2 LYS A 40 25.998 27.321 -5.162 1.00 12.32 H new ATOM 0 HB3 LYS A 40 27.190 27.141 -6.434 1.00 12.32 H new ATOM 0 HG2 LYS A 40 25.256 26.839 -8.066 1.00 53.43 H new ATOM 0 HG3 LYS A 40 24.175 27.280 -6.760 1.00 53.43 H new ATOM 0 HD2 LYS A 40 26.499 29.030 -7.649 1.00 34.13 H new ATOM 0 HD3 LYS A 40 24.884 29.180 -8.312 1.00 34.13 H new ATOM 0 HE2 LYS A 40 24.064 29.439 -5.879 1.00 61.42 H new ATOM 0 HE3 LYS A 40 25.750 29.615 -5.433 1.00 61.42 H new ATOM 0 HZ1 LYS A 40 24.710 31.758 -5.791 1.00 25.31 H new ATOM 0 HZ2 LYS A 40 25.925 31.503 -6.949 1.00 25.31 H new ATOM 0 HZ3 LYS A 40 24.292 31.332 -7.381 1.00 25.31 H new ATOM 634 N ARG A 41 28.143 25.037 -4.675 1.00 11.44 N ATOM 635 CA ARG A 41 29.491 24.554 -4.402 1.00 43.55 C ATOM 636 C ARG A 41 29.501 23.038 -4.231 1.00 5.30 C ATOM 637 O ARG A 41 30.529 22.389 -4.423 1.00 24.23 O ATOM 638 CB ARG A 41 30.052 25.224 -3.147 1.00 1.24 C ATOM 639 CG ARG A 41 31.088 26.297 -3.439 1.00 50.35 C ATOM 640 CD ARG A 41 32.354 25.702 -4.036 1.00 33.32 C ATOM 641 NE ARG A 41 33.046 24.829 -3.091 1.00 11.30 N ATOM 642 CZ ARG A 41 33.790 25.278 -2.086 1.00 64.24 C ATOM 643 NH1 ARG A 41 33.938 26.582 -1.897 1.00 31.32 N ATOM 644 NH2 ARG A 41 34.389 24.421 -1.269 1.00 12.24 N ATOM 0 H ARG A 41 27.731 25.585 -3.920 1.00 11.44 H new ATOM 0 HA ARG A 41 30.121 24.810 -5.254 1.00 43.55 H new ATOM 0 HB2 ARG A 41 29.231 25.668 -2.585 1.00 1.24 H new ATOM 0 HB3 ARG A 41 30.500 24.463 -2.509 1.00 1.24 H new ATOM 0 HG2 ARG A 41 30.669 27.030 -4.128 1.00 50.35 H new ATOM 0 HG3 ARG A 41 31.333 26.828 -2.519 1.00 50.35 H new ATOM 0 HD2 ARG A 41 32.101 25.137 -4.933 1.00 33.32 H new ATOM 0 HD3 ARG A 41 33.023 26.506 -4.343 1.00 33.32 H new ATOM 0 HE ARG A 41 32.953 23.820 -3.209 1.00 11.30 H new ATOM 0 HH11 ARG A 41 33.480 27.243 -2.524 1.00 31.32 H new ATOM 0 HH12 ARG A 41 34.510 26.924 -1.125 1.00 31.32 H new ATOM 0 HH21 ARG A 41 34.278 23.417 -1.412 1.00 12.24 H new ATOM 0 HH22 ARG A 41 34.960 24.766 -0.498 1.00 12.24 H new ATOM 658 N SER A 42 28.350 22.481 -3.868 1.00 45.22 N ATOM 659 CA SER A 42 28.228 21.042 -3.666 1.00 52.25 C ATOM 660 C SER A 42 27.284 20.428 -4.696 1.00 62.10 C ATOM 661 O SER A 42 26.902 21.076 -5.670 1.00 51.14 O ATOM 662 CB SER A 42 27.722 20.745 -2.253 1.00 42.24 C ATOM 663 OG SER A 42 28.517 19.754 -1.625 1.00 74.14 O ATOM 0 H SER A 42 27.489 23.004 -3.708 1.00 45.22 H new ATOM 0 HA SER A 42 29.215 20.597 -3.792 1.00 52.25 H new ATOM 0 HB2 SER A 42 27.737 21.658 -1.658 1.00 42.24 H new ATOM 0 HB3 SER A 42 26.686 20.410 -2.297 1.00 42.24 H new ATOM 0 HG SER A 42 28.175 19.583 -0.723 1.00 74.14 H new ATOM 669 N LYS A 43 26.912 19.172 -4.473 1.00 0.02 N ATOM 670 CA LYS A 43 26.012 18.468 -5.379 1.00 23.35 C ATOM 671 C LYS A 43 26.650 18.294 -6.753 1.00 63.11 C ATOM 672 O LYS A 43 25.965 17.999 -7.732 1.00 3.51 O ATOM 673 CB LYS A 43 24.690 19.228 -5.510 1.00 65.44 C ATOM 674 CG LYS A 43 23.548 18.600 -4.731 1.00 74.34 C ATOM 675 CD LYS A 43 22.243 19.344 -4.959 1.00 75.11 C ATOM 676 CE LYS A 43 21.346 18.609 -5.944 1.00 45.13 C ATOM 677 NZ LYS A 43 19.943 19.103 -5.892 1.00 34.20 N ATOM 0 H LYS A 43 27.220 18.620 -3.672 1.00 0.02 H new ATOM 0 HA LYS A 43 25.816 17.480 -4.962 1.00 23.35 H new ATOM 0 HB2 LYS A 43 24.834 20.252 -5.166 1.00 65.44 H new ATOM 0 HB3 LYS A 43 24.414 19.282 -6.563 1.00 65.44 H new ATOM 0 HG2 LYS A 43 23.431 17.558 -5.030 1.00 74.34 H new ATOM 0 HG3 LYS A 43 23.788 18.601 -3.668 1.00 74.34 H new ATOM 0 HD2 LYS A 43 21.721 19.464 -4.010 1.00 75.11 H new ATOM 0 HD3 LYS A 43 22.455 20.345 -5.335 1.00 75.11 H new ATOM 0 HE2 LYS A 43 21.737 18.733 -6.954 1.00 45.13 H new ATOM 0 HE3 LYS A 43 21.363 17.542 -5.724 1.00 45.13 H new ATOM 0 HZ1 LYS A 43 19.364 18.577 -6.578 1.00 34.20 H new ATOM 0 HZ2 LYS A 43 19.560 18.962 -4.935 1.00 34.20 H new ATOM 0 HZ3 LYS A 43 19.923 20.116 -6.127 1.00 34.20 H new ATOM 691 N GLU A 44 27.965 18.477 -6.818 1.00 24.14 N ATOM 692 CA GLU A 44 28.694 18.339 -8.073 1.00 5.30 C ATOM 693 C GLU A 44 28.829 16.871 -8.466 1.00 74.01 C ATOM 694 O GLU A 44 28.662 16.512 -9.632 1.00 54.11 O ATOM 695 CB GLU A 44 30.081 18.976 -7.956 1.00 11.03 C ATOM 696 CG GLU A 44 30.916 18.410 -6.820 1.00 3.44 C ATOM 697 CD GLU A 44 31.762 19.467 -6.135 1.00 70.23 C ATOM 698 OE1 GLU A 44 32.182 20.424 -6.819 1.00 14.22 O ATOM 699 OE2 GLU A 44 32.004 19.336 -4.917 1.00 43.54 O ATOM 0 H GLU A 44 28.547 18.721 -6.017 1.00 24.14 H new ATOM 0 HA GLU A 44 28.129 18.855 -8.849 1.00 5.30 H new ATOM 0 HB2 GLU A 44 30.617 18.835 -8.895 1.00 11.03 H new ATOM 0 HB3 GLU A 44 29.967 20.050 -7.812 1.00 11.03 H new ATOM 0 HG2 GLU A 44 30.257 17.945 -6.086 1.00 3.44 H new ATOM 0 HG3 GLU A 44 31.565 17.625 -7.207 1.00 3.44 H new ATOM 706 N ILE A 45 29.132 16.027 -7.485 1.00 52.43 N ATOM 707 CA ILE A 45 29.288 14.599 -7.728 1.00 70.31 C ATOM 708 C ILE A 45 27.958 13.958 -8.111 1.00 23.54 C ATOM 709 O ILE A 45 27.916 12.817 -8.573 1.00 2.20 O ATOM 710 CB ILE A 45 29.857 13.877 -6.492 1.00 73.54 C ATOM 711 CG1 ILE A 45 28.954 14.108 -5.279 1.00 1.21 C ATOM 712 CG2 ILE A 45 31.273 14.353 -6.205 1.00 55.52 C ATOM 713 CD1 ILE A 45 27.817 13.116 -5.173 1.00 25.21 C ATOM 0 H ILE A 45 29.274 16.308 -6.515 1.00 52.43 H new ATOM 0 HA ILE A 45 29.990 14.494 -8.555 1.00 70.31 H new ATOM 0 HB ILE A 45 29.890 12.807 -6.698 1.00 73.54 H new ATOM 0 HG12 ILE A 45 29.557 14.055 -4.372 1.00 1.21 H new ATOM 0 HG13 ILE A 45 28.542 15.116 -5.330 1.00 1.21 H new ATOM 0 HG21 ILE A 45 31.661 13.833 -5.329 1.00 55.52 H new ATOM 0 HG22 ILE A 45 31.909 14.141 -7.064 1.00 55.52 H new ATOM 0 HG23 ILE A 45 31.265 15.426 -6.016 1.00 55.52 H new ATOM 0 HD11 ILE A 45 27.219 13.341 -4.290 1.00 25.21 H new ATOM 0 HD12 ILE A 45 27.191 13.184 -6.062 1.00 25.21 H new ATOM 0 HD13 ILE A 45 28.221 12.107 -5.090 1.00 25.21 H new ATOM 725 N LYS A 46 26.873 14.699 -7.916 1.00 72.32 N ATOM 726 CA LYS A 46 25.540 14.205 -8.243 1.00 43.43 C ATOM 727 C LYS A 46 25.524 13.555 -9.623 1.00 42.30 C ATOM 728 O LYS A 46 24.904 12.511 -9.819 1.00 53.03 O ATOM 729 CB LYS A 46 24.524 15.349 -8.195 1.00 25.02 C ATOM 730 CG LYS A 46 24.164 15.783 -6.785 1.00 31.25 C ATOM 731 CD LYS A 46 23.438 14.681 -6.031 1.00 0.24 C ATOM 732 CE LYS A 46 24.018 14.483 -4.638 1.00 55.43 C ATOM 733 NZ LYS A 46 24.773 13.205 -4.529 1.00 22.14 N ATOM 0 H LYS A 46 26.890 15.644 -7.533 1.00 72.32 H new ATOM 0 HA LYS A 46 25.267 13.453 -7.503 1.00 43.43 H new ATOM 0 HB2 LYS A 46 24.926 16.204 -8.738 1.00 25.02 H new ATOM 0 HB3 LYS A 46 23.617 15.040 -8.714 1.00 25.02 H new ATOM 0 HG2 LYS A 46 25.070 16.058 -6.245 1.00 31.25 H new ATOM 0 HG3 LYS A 46 23.535 16.672 -6.826 1.00 31.25 H new ATOM 0 HD2 LYS A 46 22.379 14.928 -5.954 1.00 0.24 H new ATOM 0 HD3 LYS A 46 23.508 13.749 -6.591 1.00 0.24 H new ATOM 0 HE2 LYS A 46 24.678 15.316 -4.397 1.00 55.43 H new ATOM 0 HE3 LYS A 46 23.212 14.493 -3.904 1.00 55.43 H new ATOM 0 HZ1 LYS A 46 25.420 13.253 -3.717 1.00 22.14 H new ATOM 0 HZ2 LYS A 46 24.106 12.418 -4.395 1.00 22.14 H new ATOM 0 HZ3 LYS A 46 25.321 13.050 -5.399 1.00 22.14 H new ATOM 747 N GLU A 47 26.212 14.179 -10.574 1.00 55.55 N ATOM 748 CA GLU A 47 26.276 13.660 -11.935 1.00 73.24 C ATOM 749 C GLU A 47 26.602 12.169 -11.934 1.00 0.12 C ATOM 750 O GLU A 47 26.029 11.395 -12.701 1.00 41.31 O ATOM 751 CB GLU A 47 27.325 14.422 -12.747 1.00 62.11 C ATOM 752 CG GLU A 47 27.237 14.172 -14.243 1.00 52.33 C ATOM 753 CD GLU A 47 28.229 15.004 -15.033 1.00 72.31 C ATOM 754 OE1 GLU A 47 29.053 14.410 -15.760 1.00 52.45 O ATOM 755 OE2 GLU A 47 28.182 16.247 -14.924 1.00 73.31 O ATOM 0 H GLU A 47 26.732 15.044 -10.427 1.00 55.55 H new ATOM 0 HA GLU A 47 25.298 13.800 -12.396 1.00 73.24 H new ATOM 0 HB2 GLU A 47 27.213 15.490 -12.558 1.00 62.11 H new ATOM 0 HB3 GLU A 47 28.318 14.139 -12.398 1.00 62.11 H new ATOM 0 HG2 GLU A 47 27.415 13.115 -14.442 1.00 52.33 H new ATOM 0 HG3 GLU A 47 26.227 14.395 -14.586 1.00 52.33 H new ATOM 762 N LYS A 48 27.527 11.773 -11.066 1.00 43.14 N ATOM 763 CA LYS A 48 27.931 10.376 -10.962 1.00 63.05 C ATOM 764 C LYS A 48 26.723 9.477 -10.720 1.00 61.24 C ATOM 765 O LYS A 48 26.588 8.421 -11.340 1.00 60.03 O ATOM 766 CB LYS A 48 28.946 10.200 -9.831 1.00 22.03 C ATOM 767 CG LYS A 48 30.090 11.198 -9.879 1.00 1.02 C ATOM 768 CD LYS A 48 31.438 10.499 -9.930 1.00 63.00 C ATOM 769 CE LYS A 48 32.575 11.457 -9.609 1.00 23.22 C ATOM 770 NZ LYS A 48 33.764 11.217 -10.474 1.00 14.12 N ATOM 0 H LYS A 48 28.011 12.401 -10.424 1.00 43.14 H new ATOM 0 HA LYS A 48 28.394 10.086 -11.905 1.00 63.05 H new ATOM 0 HB2 LYS A 48 28.432 10.295 -8.875 1.00 22.03 H new ATOM 0 HB3 LYS A 48 29.354 9.190 -9.874 1.00 22.03 H new ATOM 0 HG2 LYS A 48 29.978 11.839 -10.753 1.00 1.02 H new ATOM 0 HG3 LYS A 48 30.047 11.844 -9.002 1.00 1.02 H new ATOM 0 HD2 LYS A 48 31.447 9.671 -9.221 1.00 63.00 H new ATOM 0 HD3 LYS A 48 31.590 10.071 -10.921 1.00 63.00 H new ATOM 0 HE2 LYS A 48 32.233 12.484 -9.739 1.00 23.22 H new ATOM 0 HE3 LYS A 48 32.859 11.346 -8.562 1.00 23.22 H new ATOM 0 HZ1 LYS A 48 34.517 11.890 -10.224 1.00 14.12 H new ATOM 0 HZ2 LYS A 48 34.107 10.246 -10.331 1.00 14.12 H new ATOM 0 HZ3 LYS A 48 33.500 11.348 -11.471 1.00 14.12 H new ATOM 784 N LEU A 49 25.847 9.902 -9.817 1.00 74.03 N ATOM 785 CA LEU A 49 24.648 9.136 -9.495 1.00 31.35 C ATOM 786 C LEU A 49 23.608 9.259 -10.604 1.00 31.25 C ATOM 787 O LEU A 49 22.840 8.330 -10.855 1.00 55.31 O ATOM 788 CB LEU A 49 24.055 9.614 -8.168 1.00 72.11 C ATOM 789 CG LEU A 49 22.944 8.745 -7.578 1.00 31.15 C ATOM 790 CD1 LEU A 49 23.511 7.431 -7.062 1.00 11.53 C ATOM 791 CD2 LEU A 49 22.219 9.489 -6.465 1.00 64.30 C ATOM 0 H LEU A 49 25.944 10.773 -9.295 1.00 74.03 H new ATOM 0 HA LEU A 49 24.931 8.087 -9.403 1.00 31.35 H new ATOM 0 HB2 LEU A 49 24.861 9.684 -7.437 1.00 72.11 H new ATOM 0 HB3 LEU A 49 23.664 10.622 -8.310 1.00 72.11 H new ATOM 0 HG LEU A 49 22.226 8.522 -8.367 1.00 31.15 H new ATOM 0 HD11 LEU A 49 22.706 6.826 -6.646 1.00 11.53 H new ATOM 0 HD12 LEU A 49 23.984 6.891 -7.883 1.00 11.53 H new ATOM 0 HD13 LEU A 49 24.251 7.633 -6.287 1.00 11.53 H new ATOM 0 HD21 LEU A 49 21.432 8.855 -6.057 1.00 64.30 H new ATOM 0 HD22 LEU A 49 22.927 9.742 -5.676 1.00 64.30 H new ATOM 0 HD23 LEU A 49 21.779 10.403 -6.865 1.00 64.30 H new ATOM 803 N LYS A 50 23.590 10.411 -11.266 1.00 24.52 N ATOM 804 CA LYS A 50 22.648 10.655 -12.351 1.00 12.40 C ATOM 805 C LYS A 50 22.905 9.709 -13.519 1.00 61.11 C ATOM 806 O LYS A 50 21.972 9.151 -14.097 1.00 40.22 O ATOM 807 CB LYS A 50 22.750 12.107 -12.825 1.00 32.11 C ATOM 808 CG LYS A 50 22.410 13.123 -11.749 1.00 3.54 C ATOM 809 CD LYS A 50 20.980 13.618 -11.880 1.00 34.10 C ATOM 810 CE LYS A 50 20.513 14.319 -10.613 1.00 65.31 C ATOM 811 NZ LYS A 50 20.618 15.800 -10.728 1.00 30.30 N ATOM 0 H LYS A 50 24.218 11.191 -11.070 1.00 24.52 H new ATOM 0 HA LYS A 50 21.642 10.472 -11.973 1.00 12.40 H new ATOM 0 HB2 LYS A 50 23.763 12.294 -13.182 1.00 32.11 H new ATOM 0 HB3 LYS A 50 22.081 12.251 -13.674 1.00 32.11 H new ATOM 0 HG2 LYS A 50 22.552 12.674 -10.766 1.00 3.54 H new ATOM 0 HG3 LYS A 50 23.096 13.968 -11.816 1.00 3.54 H new ATOM 0 HD2 LYS A 50 20.907 14.304 -12.724 1.00 34.10 H new ATOM 0 HD3 LYS A 50 20.321 12.777 -12.095 1.00 34.10 H new ATOM 0 HE2 LYS A 50 19.479 14.043 -10.405 1.00 65.31 H new ATOM 0 HE3 LYS A 50 21.110 13.977 -9.768 1.00 65.31 H new ATOM 0 HZ1 LYS A 50 20.291 16.241 -9.845 1.00 30.30 H new ATOM 0 HZ2 LYS A 50 21.609 16.065 -10.901 1.00 30.30 H new ATOM 0 HZ3 LYS A 50 20.028 16.129 -11.519 1.00 30.30 H new ATOM 825 N LYS A 51 24.177 9.531 -13.861 1.00 74.42 N ATOM 826 CA LYS A 51 24.558 8.649 -14.958 1.00 51.34 C ATOM 827 C LYS A 51 24.239 7.196 -14.625 1.00 33.53 C ATOM 828 O LYS A 51 23.929 6.398 -15.511 1.00 13.11 O ATOM 829 CB LYS A 51 26.050 8.798 -15.264 1.00 61.30 C ATOM 830 CG LYS A 51 26.367 9.946 -16.206 1.00 53.22 C ATOM 831 CD LYS A 51 27.710 9.753 -16.890 1.00 32.42 C ATOM 832 CE LYS A 51 27.566 8.980 -18.192 1.00 63.01 C ATOM 833 NZ LYS A 51 28.125 7.604 -18.085 1.00 65.12 N ATOM 0 H LYS A 51 24.961 9.986 -13.394 1.00 74.42 H new ATOM 0 HA LYS A 51 23.982 8.936 -15.838 1.00 51.34 H new ATOM 0 HB2 LYS A 51 26.591 8.946 -14.329 1.00 61.30 H new ATOM 0 HB3 LYS A 51 26.417 7.869 -15.701 1.00 61.30 H new ATOM 0 HG2 LYS A 51 25.583 10.027 -16.959 1.00 53.22 H new ATOM 0 HG3 LYS A 51 26.373 10.883 -15.650 1.00 53.22 H new ATOM 0 HD2 LYS A 51 28.160 10.725 -17.091 1.00 32.42 H new ATOM 0 HD3 LYS A 51 28.387 9.220 -16.222 1.00 32.42 H new ATOM 0 HE2 LYS A 51 26.513 8.924 -18.466 1.00 63.01 H new ATOM 0 HE3 LYS A 51 28.075 9.518 -18.992 1.00 63.01 H new ATOM 0 HZ1 LYS A 51 28.008 7.110 -18.993 1.00 65.12 H new ATOM 0 HZ2 LYS A 51 29.136 7.658 -17.848 1.00 65.12 H new ATOM 0 HZ3 LYS A 51 27.622 7.082 -17.339 1.00 65.12 H new ATOM 847 N LEU A 52 24.315 6.857 -13.342 1.00 50.34 N ATOM 848 CA LEU A 52 24.032 5.499 -12.891 1.00 64.03 C ATOM 849 C LEU A 52 22.622 5.075 -13.290 1.00 4.12 C ATOM 850 O LEU A 52 22.316 3.885 -13.354 1.00 22.12 O ATOM 851 CB LEU A 52 24.197 5.400 -11.374 1.00 24.22 C ATOM 852 CG LEU A 52 23.836 4.053 -10.746 1.00 12.31 C ATOM 853 CD1 LEU A 52 24.890 3.636 -9.733 1.00 3.55 C ATOM 854 CD2 LEU A 52 22.463 4.121 -10.093 1.00 20.03 C ATOM 0 H LEU A 52 24.570 7.504 -12.596 1.00 50.34 H new ATOM 0 HA LEU A 52 24.743 4.827 -13.372 1.00 64.03 H new ATOM 0 HB2 LEU A 52 25.234 5.628 -11.126 1.00 24.22 H new ATOM 0 HB3 LEU A 52 23.581 6.171 -10.911 1.00 24.22 H new ATOM 0 HG LEU A 52 23.805 3.302 -11.536 1.00 12.31 H new ATOM 0 HD11 LEU A 52 24.616 2.675 -9.297 1.00 3.55 H new ATOM 0 HD12 LEU A 52 25.856 3.547 -10.229 1.00 3.55 H new ATOM 0 HD13 LEU A 52 24.955 4.387 -8.945 1.00 3.55 H new ATOM 0 HD21 LEU A 52 22.222 3.154 -9.651 1.00 20.03 H new ATOM 0 HD22 LEU A 52 22.467 4.884 -9.315 1.00 20.03 H new ATOM 0 HD23 LEU A 52 21.715 4.373 -10.844 1.00 20.03 H new ATOM 866 N ALA A 53 21.769 6.057 -13.559 1.00 14.43 N ATOM 867 CA ALA A 53 20.392 5.786 -13.955 1.00 44.23 C ATOM 868 C ALA A 53 20.341 4.813 -15.128 1.00 32.42 C ATOM 869 O ALA A 53 19.363 4.086 -15.300 1.00 14.31 O ATOM 870 CB ALA A 53 19.681 7.083 -14.312 1.00 35.25 C ATOM 0 H ALA A 53 22.007 7.048 -13.510 1.00 14.43 H new ATOM 0 HA ALA A 53 19.880 5.324 -13.110 1.00 44.23 H new ATOM 0 HB1 ALA A 53 18.654 6.866 -14.606 1.00 35.25 H new ATOM 0 HB2 ALA A 53 19.679 7.747 -13.447 1.00 35.25 H new ATOM 0 HB3 ALA A 53 20.200 7.567 -15.139 1.00 35.25 H new ATOM 876 N GLU A 54 21.400 4.804 -15.931 1.00 52.44 N ATOM 877 CA GLU A 54 21.473 3.920 -17.089 1.00 12.42 C ATOM 878 C GLU A 54 21.858 2.505 -16.669 1.00 22.11 C ATOM 879 O GLU A 54 21.377 1.526 -17.237 1.00 74.42 O ATOM 880 CB GLU A 54 22.484 4.456 -18.105 1.00 0.14 C ATOM 881 CG GLU A 54 22.473 3.708 -19.427 1.00 54.22 C ATOM 882 CD GLU A 54 22.111 4.600 -20.599 1.00 12.43 C ATOM 883 OE1 GLU A 54 21.021 4.406 -21.177 1.00 11.20 O ATOM 884 OE2 GLU A 54 22.917 5.492 -20.937 1.00 72.24 O ATOM 0 H GLU A 54 22.219 5.398 -15.801 1.00 52.44 H new ATOM 0 HA GLU A 54 20.487 3.887 -17.552 1.00 12.42 H new ATOM 0 HB2 GLU A 54 22.275 5.509 -18.292 1.00 0.14 H new ATOM 0 HB3 GLU A 54 23.484 4.401 -17.674 1.00 0.14 H new ATOM 0 HG2 GLU A 54 23.455 3.268 -19.600 1.00 54.22 H new ATOM 0 HG3 GLU A 54 21.761 2.885 -19.368 1.00 54.22 H new ATOM 891 N GLU A 55 22.730 2.407 -15.670 1.00 64.03 N ATOM 892 CA GLU A 55 23.182 1.112 -15.175 1.00 74.34 C ATOM 893 C GLU A 55 22.014 0.308 -14.611 1.00 75.24 C ATOM 894 O GLU A 55 21.972 -0.917 -14.732 1.00 42.34 O ATOM 895 CB GLU A 55 24.254 1.297 -14.100 1.00 11.23 C ATOM 896 CG GLU A 55 24.239 0.216 -13.032 1.00 72.24 C ATOM 897 CD GLU A 55 25.568 0.086 -12.314 1.00 41.24 C ATOM 898 OE1 GLU A 55 26.112 1.124 -11.882 1.00 13.20 O ATOM 899 OE2 GLU A 55 26.065 -1.052 -12.185 1.00 72.01 O ATOM 0 H GLU A 55 23.137 3.208 -15.188 1.00 64.03 H new ATOM 0 HA GLU A 55 23.610 0.561 -16.013 1.00 74.34 H new ATOM 0 HB2 GLU A 55 25.235 1.312 -14.576 1.00 11.23 H new ATOM 0 HB3 GLU A 55 24.116 2.268 -13.624 1.00 11.23 H new ATOM 0 HG2 GLU A 55 23.458 0.440 -12.305 1.00 72.24 H new ATOM 0 HG3 GLU A 55 23.983 -0.739 -13.491 1.00 72.24 H new ATOM 906 N PHE A 56 21.066 1.006 -13.994 1.00 60.31 N ATOM 907 CA PHE A 56 19.898 0.358 -13.410 1.00 14.05 C ATOM 908 C PHE A 56 18.740 1.343 -13.274 1.00 5.53 C ATOM 909 O PHE A 56 18.406 1.800 -12.180 1.00 51.34 O ATOM 910 CB PHE A 56 20.245 -0.229 -12.040 1.00 64.42 C ATOM 911 CG PHE A 56 19.261 -1.258 -11.561 1.00 51.24 C ATOM 912 CD1 PHE A 56 18.715 -1.175 -10.291 1.00 13.42 C ATOM 913 CD2 PHE A 56 18.882 -2.308 -12.382 1.00 21.10 C ATOM 914 CE1 PHE A 56 17.808 -2.119 -9.847 1.00 62.02 C ATOM 915 CE2 PHE A 56 17.976 -3.255 -11.944 1.00 73.11 C ATOM 916 CZ PHE A 56 17.439 -3.161 -10.675 1.00 21.32 C ATOM 0 H PHE A 56 21.084 2.020 -13.886 1.00 60.31 H new ATOM 0 HA PHE A 56 19.591 -0.448 -14.076 1.00 14.05 H new ATOM 0 HB2 PHE A 56 21.236 -0.680 -12.088 1.00 64.42 H new ATOM 0 HB3 PHE A 56 20.297 0.579 -11.310 1.00 64.42 H new ATOM 0 HD1 PHE A 56 19.001 -0.363 -9.639 1.00 13.42 H new ATOM 0 HD2 PHE A 56 19.299 -2.387 -13.375 1.00 21.10 H new ATOM 0 HE1 PHE A 56 17.389 -2.042 -8.855 1.00 62.02 H new ATOM 0 HE2 PHE A 56 17.688 -4.068 -12.594 1.00 73.11 H new ATOM 0 HZ PHE A 56 16.732 -3.901 -10.331 1.00 21.32 H new ATOM 926 N PRO A 57 18.114 1.680 -14.411 1.00 2.20 N ATOM 927 CA PRO A 57 16.985 2.615 -14.446 1.00 62.42 C ATOM 928 C PRO A 57 15.728 2.029 -13.812 1.00 61.03 C ATOM 929 O PRO A 57 14.733 2.729 -13.624 1.00 32.31 O ATOM 930 CB PRO A 57 16.768 2.853 -15.943 1.00 23.43 C ATOM 931 CG PRO A 57 17.308 1.631 -16.603 1.00 4.03 C ATOM 932 CD PRO A 57 18.460 1.174 -15.750 1.00 53.31 C ATOM 0 HA PRO A 57 17.191 3.524 -13.881 1.00 62.42 H new ATOM 0 HB2 PRO A 57 15.712 2.993 -16.173 1.00 23.43 H new ATOM 0 HB3 PRO A 57 17.289 3.749 -16.281 1.00 23.43 H new ATOM 0 HG2 PRO A 57 16.544 0.857 -16.675 1.00 4.03 H new ATOM 0 HG3 PRO A 57 17.637 1.849 -17.619 1.00 4.03 H new ATOM 0 HD2 PRO A 57 18.559 0.089 -15.756 1.00 53.31 H new ATOM 0 HD3 PRO A 57 19.407 1.583 -16.102 1.00 53.31 H new ATOM 940 N ASP A 58 15.781 0.743 -13.485 1.00 35.41 N ATOM 941 CA ASP A 58 14.646 0.063 -12.870 1.00 50.23 C ATOM 942 C ASP A 58 14.451 0.525 -11.429 1.00 45.14 C ATOM 943 O ASP A 58 13.366 0.390 -10.864 1.00 63.50 O ATOM 944 CB ASP A 58 14.849 -1.452 -12.910 1.00 70.21 C ATOM 945 CG ASP A 58 14.168 -2.158 -11.754 1.00 61.10 C ATOM 946 OD1 ASP A 58 13.076 -2.727 -11.966 1.00 2.54 O ATOM 947 OD2 ASP A 58 14.728 -2.143 -10.638 1.00 14.01 O ATOM 0 H ASP A 58 16.597 0.150 -13.635 1.00 35.41 H new ATOM 0 HA ASP A 58 13.751 0.317 -13.438 1.00 50.23 H new ATOM 0 HB2 ASP A 58 14.461 -1.843 -13.850 1.00 70.21 H new ATOM 0 HB3 ASP A 58 15.916 -1.673 -12.889 1.00 70.21 H new ATOM 952 N VAL A 59 15.511 1.071 -10.840 1.00 72.41 N ATOM 953 CA VAL A 59 15.457 1.553 -9.465 1.00 71.31 C ATOM 954 C VAL A 59 14.953 2.990 -9.406 1.00 54.21 C ATOM 955 O VAL A 59 15.104 3.752 -10.361 1.00 64.14 O ATOM 956 CB VAL A 59 16.839 1.477 -8.789 1.00 72.12 C ATOM 957 CG1 VAL A 59 17.796 2.480 -9.416 1.00 35.13 C ATOM 958 CG2 VAL A 59 16.713 1.712 -7.292 1.00 34.24 C ATOM 0 H VAL A 59 16.417 1.190 -11.294 1.00 72.41 H new ATOM 0 HA VAL A 59 14.763 0.905 -8.930 1.00 71.31 H new ATOM 0 HB VAL A 59 17.246 0.478 -8.944 1.00 72.12 H new ATOM 0 HG11 VAL A 59 18.767 2.412 -8.926 1.00 35.13 H new ATOM 0 HG12 VAL A 59 17.909 2.260 -10.478 1.00 35.13 H new ATOM 0 HG13 VAL A 59 17.398 3.487 -9.295 1.00 35.13 H new ATOM 0 HG21 VAL A 59 17.699 1.655 -6.830 1.00 34.24 H new ATOM 0 HG22 VAL A 59 16.285 2.699 -7.113 1.00 34.24 H new ATOM 0 HG23 VAL A 59 16.064 0.951 -6.858 1.00 34.24 H new ATOM 968 N ASP A 60 14.353 3.355 -8.278 1.00 74.14 N ATOM 969 CA ASP A 60 13.827 4.702 -8.093 1.00 53.43 C ATOM 970 C ASP A 60 14.829 5.580 -7.350 1.00 21.53 C ATOM 971 O ASP A 60 15.076 5.384 -6.159 1.00 42.22 O ATOM 972 CB ASP A 60 12.504 4.656 -7.327 1.00 30.21 C ATOM 973 CG ASP A 60 11.900 3.266 -7.299 1.00 32.43 C ATOM 974 OD1 ASP A 60 11.660 2.745 -6.189 1.00 32.00 O ATOM 975 OD2 ASP A 60 11.666 2.699 -8.386 1.00 62.43 O ATOM 0 H ASP A 60 14.219 2.736 -7.478 1.00 74.14 H new ATOM 0 HA ASP A 60 13.652 5.135 -9.078 1.00 53.43 H new ATOM 0 HB2 ASP A 60 12.667 4.999 -6.305 1.00 30.21 H new ATOM 0 HB3 ASP A 60 11.797 5.347 -7.786 1.00 30.21 H new ATOM 980 N ILE A 61 15.404 6.545 -8.059 1.00 73.34 N ATOM 981 CA ILE A 61 16.379 7.451 -7.466 1.00 51.23 C ATOM 982 C ILE A 61 15.796 8.849 -7.293 1.00 54.41 C ATOM 983 O ILE A 61 15.552 9.557 -8.271 1.00 13.24 O ATOM 984 CB ILE A 61 17.656 7.542 -8.322 1.00 41.52 C ATOM 985 CG1 ILE A 61 18.051 6.157 -8.838 1.00 31.04 C ATOM 986 CG2 ILE A 61 18.791 8.157 -7.517 1.00 12.14 C ATOM 987 CD1 ILE A 61 17.709 5.934 -10.294 1.00 50.02 C ATOM 0 H ILE A 61 15.211 6.720 -9.045 1.00 73.34 H new ATOM 0 HA ILE A 61 16.635 7.043 -6.488 1.00 51.23 H new ATOM 0 HB ILE A 61 17.455 8.184 -9.179 1.00 41.52 H new ATOM 0 HG12 ILE A 61 19.123 6.019 -8.700 1.00 31.04 H new ATOM 0 HG13 ILE A 61 17.552 5.398 -8.236 1.00 31.04 H new ATOM 0 HG21 ILE A 61 19.686 8.214 -8.136 1.00 12.14 H new ATOM 0 HG22 ILE A 61 18.507 9.159 -7.195 1.00 12.14 H new ATOM 0 HG23 ILE A 61 18.993 7.539 -6.642 1.00 12.14 H new ATOM 0 HD11 ILE A 61 18.018 4.932 -10.591 1.00 50.02 H new ATOM 0 HD12 ILE A 61 16.633 6.039 -10.435 1.00 50.02 H new ATOM 0 HD13 ILE A 61 18.229 6.670 -10.907 1.00 50.02 H new ATOM 999 N TYR A 62 15.576 9.242 -6.043 1.00 73.13 N ATOM 1000 CA TYR A 62 15.020 10.556 -5.741 1.00 64.22 C ATOM 1001 C TYR A 62 15.819 11.245 -4.639 1.00 64.31 C ATOM 1002 O TYR A 62 16.242 10.609 -3.672 1.00 44.24 O ATOM 1003 CB TYR A 62 13.555 10.429 -5.321 1.00 41.00 C ATOM 1004 CG TYR A 62 13.372 9.941 -3.902 1.00 2.13 C ATOM 1005 CD1 TYR A 62 13.017 10.819 -2.885 1.00 5.32 C ATOM 1006 CD2 TYR A 62 13.555 8.603 -3.577 1.00 61.30 C ATOM 1007 CE1 TYR A 62 12.850 10.378 -1.586 1.00 51.34 C ATOM 1008 CE2 TYR A 62 13.388 8.153 -2.282 1.00 22.43 C ATOM 1009 CZ TYR A 62 13.036 9.044 -1.290 1.00 11.21 C ATOM 1010 OH TYR A 62 12.870 8.600 0.002 1.00 61.01 O ATOM 0 H TYR A 62 15.774 8.669 -5.223 1.00 73.13 H new ATOM 0 HA TYR A 62 15.081 11.164 -6.643 1.00 64.22 H new ATOM 0 HB2 TYR A 62 13.070 11.399 -5.428 1.00 41.00 H new ATOM 0 HB3 TYR A 62 13.049 9.743 -6.000 1.00 41.00 H new ATOM 0 HD1 TYR A 62 12.869 11.864 -3.114 1.00 5.32 H new ATOM 0 HD2 TYR A 62 13.833 7.902 -4.350 1.00 61.30 H new ATOM 0 HE1 TYR A 62 12.575 11.074 -0.807 1.00 51.34 H new ATOM 0 HE2 TYR A 62 13.532 7.109 -2.047 1.00 22.43 H new ATOM 0 HH TYR A 62 12.563 7.669 -0.009 1.00 61.01 H new ATOM 1020 N LEU A 63 16.022 12.549 -4.791 1.00 71.34 N ATOM 1021 CA LEU A 63 16.769 13.327 -3.810 1.00 24.34 C ATOM 1022 C LEU A 63 15.826 14.017 -2.829 1.00 44.04 C ATOM 1023 O LEU A 63 14.690 14.346 -3.171 1.00 63.54 O ATOM 1024 CB LEU A 63 17.644 14.367 -4.512 1.00 74.24 C ATOM 1025 CG LEU A 63 18.608 13.829 -5.570 1.00 73.23 C ATOM 1026 CD1 LEU A 63 18.953 14.914 -6.579 1.00 23.54 C ATOM 1027 CD2 LEU A 63 19.869 13.286 -4.915 1.00 62.51 C ATOM 0 H LEU A 63 15.679 13.090 -5.585 1.00 71.34 H new ATOM 0 HA LEU A 63 17.407 12.643 -3.251 1.00 24.34 H new ATOM 0 HB2 LEU A 63 16.992 15.102 -4.984 1.00 74.24 H new ATOM 0 HB3 LEU A 63 18.224 14.895 -3.755 1.00 74.24 H new ATOM 0 HG LEU A 63 18.117 13.012 -6.100 1.00 73.23 H new ATOM 0 HD11 LEU A 63 19.640 14.513 -7.324 1.00 23.54 H new ATOM 0 HD12 LEU A 63 18.043 15.256 -7.071 1.00 23.54 H new ATOM 0 HD13 LEU A 63 19.424 15.752 -6.065 1.00 23.54 H new ATOM 0 HD21 LEU A 63 20.544 12.907 -5.683 1.00 62.51 H new ATOM 0 HD22 LEU A 63 20.363 14.083 -4.359 1.00 62.51 H new ATOM 0 HD23 LEU A 63 19.606 12.478 -4.233 1.00 62.51 H new ATOM 1039 N VAL A 64 16.306 14.236 -1.609 1.00 40.22 N ATOM 1040 CA VAL A 64 15.507 14.891 -0.580 1.00 23.30 C ATOM 1041 C VAL A 64 16.242 16.092 0.005 1.00 22.51 C ATOM 1042 O VAL A 64 17.442 16.028 0.273 1.00 21.32 O ATOM 1043 CB VAL A 64 15.151 13.916 0.558 1.00 10.23 C ATOM 1044 CG1 VAL A 64 14.254 14.595 1.582 1.00 53.53 C ATOM 1045 CG2 VAL A 64 14.487 12.666 0.001 1.00 53.52 C ATOM 0 H VAL A 64 17.244 13.970 -1.309 1.00 40.22 H new ATOM 0 HA VAL A 64 14.588 15.230 -1.059 1.00 23.30 H new ATOM 0 HB VAL A 64 16.072 13.618 1.058 1.00 10.23 H new ATOM 0 HG11 VAL A 64 14.013 13.891 2.378 1.00 53.53 H new ATOM 0 HG12 VAL A 64 14.771 15.457 2.004 1.00 53.53 H new ATOM 0 HG13 VAL A 64 13.334 14.925 1.098 1.00 53.53 H new ATOM 0 HG21 VAL A 64 14.243 11.989 0.819 1.00 53.52 H new ATOM 0 HG22 VAL A 64 13.574 12.943 -0.526 1.00 53.52 H new ATOM 0 HG23 VAL A 64 15.168 12.169 -0.690 1.00 53.52 H new ATOM 1055 N ASP A 65 15.514 17.185 0.201 1.00 3.33 N ATOM 1056 CA ASP A 65 16.096 18.402 0.757 1.00 64.43 C ATOM 1057 C ASP A 65 15.962 18.424 2.276 1.00 21.31 C ATOM 1058 O ASP A 65 15.115 17.735 2.846 1.00 62.41 O ATOM 1059 CB ASP A 65 15.423 19.636 0.155 1.00 73.23 C ATOM 1060 CG ASP A 65 13.912 19.511 0.119 1.00 43.32 C ATOM 1061 OD1 ASP A 65 13.240 20.219 0.898 1.00 75.30 O ATOM 1062 OD2 ASP A 65 13.403 18.707 -0.689 1.00 52.11 O ATOM 0 H ASP A 65 14.520 17.254 -0.017 1.00 3.33 H new ATOM 0 HA ASP A 65 17.156 18.416 0.504 1.00 64.43 H new ATOM 0 HB2 ASP A 65 15.698 20.516 0.736 1.00 73.23 H new ATOM 0 HB3 ASP A 65 15.796 19.793 -0.857 1.00 73.23 H new ATOM 1067 N THR A 66 16.804 19.219 2.928 1.00 1.52 N ATOM 1068 CA THR A 66 16.781 19.330 4.381 1.00 23.22 C ATOM 1069 C THR A 66 15.629 20.211 4.848 1.00 54.53 C ATOM 1070 O THR A 66 15.182 20.113 5.990 1.00 30.45 O ATOM 1071 CB THR A 66 18.104 19.905 4.922 1.00 40.22 C ATOM 1072 OG1 THR A 66 18.825 20.550 3.866 1.00 2.43 O ATOM 1073 CG2 THR A 66 18.962 18.807 5.532 1.00 3.40 C ATOM 0 H THR A 66 17.511 19.796 2.472 1.00 1.52 H new ATOM 0 HA THR A 66 16.645 18.322 4.772 1.00 23.22 H new ATOM 0 HB THR A 66 17.868 20.633 5.698 1.00 40.22 H new ATOM 0 HG1 THR A 66 19.664 20.914 4.218 1.00 2.43 H new ATOM 0 HG21 THR A 66 19.891 19.237 5.907 1.00 3.40 H new ATOM 0 HG22 THR A 66 18.422 18.337 6.354 1.00 3.40 H new ATOM 0 HG23 THR A 66 19.189 18.059 4.773 1.00 3.40 H new ATOM 1081 N SER A 67 15.150 21.073 3.956 1.00 43.22 N ATOM 1082 CA SER A 67 14.051 21.975 4.278 1.00 55.03 C ATOM 1083 C SER A 67 12.737 21.208 4.400 1.00 2.30 C ATOM 1084 O SER A 67 11.781 21.684 5.013 1.00 30.13 O ATOM 1085 CB SER A 67 13.923 23.060 3.207 1.00 52.22 C ATOM 1086 OG SER A 67 13.995 24.354 3.781 1.00 61.14 O ATOM 0 H SER A 67 15.506 21.165 3.005 1.00 43.22 H new ATOM 0 HA SER A 67 14.268 22.445 5.237 1.00 55.03 H new ATOM 0 HB2 SER A 67 14.716 22.942 2.468 1.00 52.22 H new ATOM 0 HB3 SER A 67 12.976 22.945 2.679 1.00 52.22 H new ATOM 0 HG SER A 67 13.912 25.030 3.076 1.00 61.14 H new ATOM 1092 N THR A 68 12.698 20.017 3.811 1.00 33.13 N ATOM 1093 CA THR A 68 11.503 19.183 3.852 1.00 12.42 C ATOM 1094 C THR A 68 11.527 18.247 5.055 1.00 54.02 C ATOM 1095 O THR A 68 10.490 17.737 5.477 1.00 54.13 O ATOM 1096 CB THR A 68 11.357 18.347 2.567 1.00 22.32 C ATOM 1097 OG1 THR A 68 12.649 17.966 2.081 1.00 3.42 O ATOM 1098 CG2 THR A 68 10.616 19.129 1.493 1.00 32.34 C ATOM 0 H THR A 68 13.480 19.608 3.300 1.00 33.13 H new ATOM 0 HA THR A 68 10.650 19.856 3.937 1.00 12.42 H new ATOM 0 HB THR A 68 10.781 17.453 2.805 1.00 22.32 H new ATOM 0 HG1 THR A 68 13.232 17.747 2.838 1.00 3.42 H new ATOM 0 HG21 THR A 68 10.525 18.518 0.595 1.00 32.34 H new ATOM 0 HG22 THR A 68 9.622 19.392 1.855 1.00 32.34 H new ATOM 0 HG23 THR A 68 11.169 20.039 1.258 1.00 32.34 H new ATOM 1106 N ASN A 69 12.717 18.026 5.603 1.00 31.41 N ATOM 1107 CA ASN A 69 12.875 17.150 6.758 1.00 22.35 C ATOM 1108 C ASN A 69 14.145 17.493 7.532 1.00 53.33 C ATOM 1109 O ASN A 69 15.101 16.719 7.579 1.00 10.34 O ATOM 1110 CB ASN A 69 12.916 15.686 6.314 1.00 51.44 C ATOM 1111 CG ASN A 69 14.067 15.401 5.368 1.00 53.41 C ATOM 1112 OD1 ASN A 69 14.811 16.306 4.988 1.00 71.52 O ATOM 1113 ND2 ASN A 69 14.217 14.139 4.983 1.00 4.41 N ATOM 0 H ASN A 69 13.586 18.441 5.266 1.00 31.41 H new ATOM 0 HA ASN A 69 12.018 17.300 7.415 1.00 22.35 H new ATOM 0 HB2 ASN A 69 13.003 15.045 7.191 1.00 51.44 H new ATOM 0 HB3 ASN A 69 11.976 15.431 5.825 1.00 51.44 H new ATOM 0 HD21 ASN A 69 14.973 13.886 4.347 1.00 4.41 H new ATOM 0 HD22 ASN A 69 13.576 13.422 5.324 1.00 4.41 H new ATOM 1120 N PRO A 70 14.156 18.682 8.153 1.00 53.01 N ATOM 1121 CA PRO A 70 15.301 19.155 8.936 1.00 12.24 C ATOM 1122 C PRO A 70 15.484 18.368 10.229 1.00 33.33 C ATOM 1123 O PRO A 70 16.591 18.274 10.757 1.00 21.43 O ATOM 1124 CB PRO A 70 14.943 20.612 9.243 1.00 30.54 C ATOM 1125 CG PRO A 70 13.455 20.656 9.186 1.00 50.33 C ATOM 1126 CD PRO A 70 13.051 19.655 8.139 1.00 51.42 C ATOM 0 HA PRO A 70 16.241 19.037 8.396 1.00 12.24 H new ATOM 0 HB2 PRO A 70 15.311 20.912 10.224 1.00 30.54 H new ATOM 0 HB3 PRO A 70 15.387 21.291 8.515 1.00 30.54 H new ATOM 0 HG2 PRO A 70 13.020 20.406 10.154 1.00 50.33 H new ATOM 0 HG3 PRO A 70 13.104 21.655 8.927 1.00 50.33 H new ATOM 0 HD2 PRO A 70 12.098 19.184 8.380 1.00 51.42 H new ATOM 0 HD3 PRO A 70 12.938 20.121 7.160 1.00 51.42 H new ATOM 1134 N GLU A 71 14.390 17.804 10.733 1.00 24.31 N ATOM 1135 CA GLU A 71 14.432 17.025 11.965 1.00 60.50 C ATOM 1136 C GLU A 71 14.848 15.584 11.684 1.00 64.34 C ATOM 1137 O GLU A 71 15.426 14.915 12.540 1.00 32.20 O ATOM 1138 CB GLU A 71 13.067 17.047 12.655 1.00 34.21 C ATOM 1139 CG GLU A 71 12.805 18.318 13.445 1.00 33.15 C ATOM 1140 CD GLU A 71 11.326 18.619 13.592 1.00 11.42 C ATOM 1141 OE1 GLU A 71 10.991 19.728 14.060 1.00 53.14 O ATOM 1142 OE2 GLU A 71 10.504 17.748 13.240 1.00 23.42 O ATOM 0 H GLU A 71 13.465 17.872 10.308 1.00 24.31 H new ATOM 0 HA GLU A 71 15.173 17.477 12.625 1.00 60.50 H new ATOM 0 HB2 GLU A 71 12.287 16.930 11.903 1.00 34.21 H new ATOM 0 HB3 GLU A 71 12.994 16.191 13.326 1.00 34.21 H new ATOM 0 HG2 GLU A 71 13.253 18.225 14.434 1.00 33.15 H new ATOM 0 HG3 GLU A 71 13.295 19.156 12.950 1.00 33.15 H new ATOM 1149 N ALA A 72 14.550 15.113 10.477 1.00 23.31 N ATOM 1150 CA ALA A 72 14.894 13.753 10.081 1.00 23.35 C ATOM 1151 C ALA A 72 16.369 13.462 10.340 1.00 51.35 C ATOM 1152 O ALA A 72 16.734 12.353 10.729 1.00 31.01 O ATOM 1153 CB ALA A 72 14.559 13.529 8.614 1.00 3.13 C ATOM 0 H ALA A 72 14.071 15.654 9.757 1.00 23.31 H new ATOM 0 HA ALA A 72 14.303 13.065 10.686 1.00 23.35 H new ATOM 0 HB1 ALA A 72 14.821 12.509 8.332 1.00 3.13 H new ATOM 0 HB2 ALA A 72 13.492 13.686 8.456 1.00 3.13 H new ATOM 0 HB3 ALA A 72 15.123 14.231 8.001 1.00 3.13 H new ATOM 1159 N ARG A 73 17.212 14.466 10.119 1.00 22.42 N ATOM 1160 CA ARG A 73 18.648 14.317 10.326 1.00 34.43 C ATOM 1161 C ARG A 73 18.956 13.996 11.786 1.00 40.50 C ATOM 1162 O ARG A 73 19.568 12.973 12.090 1.00 3.54 O ATOM 1163 CB ARG A 73 19.380 15.593 9.907 1.00 20.41 C ATOM 1164 CG ARG A 73 20.403 15.374 8.804 1.00 35.40 C ATOM 1165 CD ARG A 73 21.754 15.966 9.172 1.00 61.43 C ATOM 1166 NE ARG A 73 21.634 17.328 9.685 1.00 73.25 N ATOM 1167 CZ ARG A 73 21.515 18.398 8.907 1.00 54.02 C ATOM 1168 NH1 ARG A 73 21.500 18.265 7.588 1.00 74.32 N ATOM 1169 NH2 ARG A 73 21.410 19.605 9.448 1.00 33.24 N ATOM 0 H ARG A 73 16.926 15.390 9.797 1.00 22.42 H new ATOM 0 HA ARG A 73 18.995 13.488 9.709 1.00 34.43 H new ATOM 0 HB2 ARG A 73 18.648 16.328 9.572 1.00 20.41 H new ATOM 0 HB3 ARG A 73 19.881 16.017 10.777 1.00 20.41 H new ATOM 0 HG2 ARG A 73 20.512 14.306 8.614 1.00 35.40 H new ATOM 0 HG3 ARG A 73 20.046 15.827 7.879 1.00 35.40 H new ATOM 0 HD2 ARG A 73 22.233 15.337 9.922 1.00 61.43 H new ATOM 0 HD3 ARG A 73 22.401 15.965 8.295 1.00 61.43 H new ATOM 0 HE ARG A 73 21.642 17.465 10.696 1.00 73.25 H new ATOM 0 HH11 ARG A 73 21.580 17.339 7.168 1.00 74.32 H new ATOM 0 HH12 ARG A 73 21.408 19.089 6.993 1.00 74.32 H new ATOM 0 HH21 ARG A 73 21.421 19.712 10.462 1.00 33.24 H new ATOM 0 HH22 ARG A 73 21.319 20.426 8.850 1.00 33.24 H new ATOM 1183 N GLU A 74 18.528 14.879 12.683 1.00 31.13 N ATOM 1184 CA GLU A 74 18.760 14.690 14.110 1.00 30.05 C ATOM 1185 C GLU A 74 18.167 13.367 14.588 1.00 50.42 C ATOM 1186 O GLU A 74 18.597 12.811 15.598 1.00 64.11 O ATOM 1187 CB GLU A 74 18.156 15.849 14.906 1.00 53.11 C ATOM 1188 CG GLU A 74 18.785 16.041 16.275 1.00 21.25 C ATOM 1189 CD GLU A 74 17.995 16.993 17.152 1.00 5.32 C ATOM 1190 OE1 GLU A 74 17.709 18.120 16.695 1.00 24.04 O ATOM 1191 OE2 GLU A 74 17.664 16.613 18.294 1.00 21.23 O ATOM 0 H GLU A 74 18.019 15.731 12.447 1.00 31.13 H new ATOM 0 HA GLU A 74 19.837 14.667 14.276 1.00 30.05 H new ATOM 0 HB2 GLU A 74 18.267 16.769 14.332 1.00 53.11 H new ATOM 0 HB3 GLU A 74 17.087 15.676 15.028 1.00 53.11 H new ATOM 0 HG2 GLU A 74 18.864 15.075 16.773 1.00 21.25 H new ATOM 0 HG3 GLU A 74 19.799 16.421 16.154 1.00 21.25 H new ATOM 1198 N TRP A 75 17.177 12.871 13.855 1.00 41.34 N ATOM 1199 CA TRP A 75 16.524 11.614 14.203 1.00 40.41 C ATOM 1200 C TRP A 75 17.551 10.508 14.415 1.00 61.34 C ATOM 1201 O TRP A 75 17.430 9.705 15.340 1.00 23.40 O ATOM 1202 CB TRP A 75 15.537 11.208 13.107 1.00 13.35 C ATOM 1203 CG TRP A 75 14.489 10.247 13.579 1.00 34.54 C ATOM 1204 CD1 TRP A 75 14.696 9.022 14.147 1.00 70.22 C ATOM 1205 CD2 TRP A 75 13.070 10.430 13.522 1.00 33.55 C ATOM 1206 NE1 TRP A 75 13.491 8.432 14.446 1.00 4.31 N ATOM 1207 CE2 TRP A 75 12.478 9.276 14.074 1.00 65.13 C ATOM 1208 CE3 TRP A 75 12.241 11.456 13.062 1.00 42.14 C ATOM 1209 CZ2 TRP A 75 11.098 9.123 14.174 1.00 23.30 C ATOM 1210 CZ3 TRP A 75 10.872 11.302 13.162 1.00 54.44 C ATOM 1211 CH2 TRP A 75 10.311 10.143 13.715 1.00 41.42 C ATOM 0 H TRP A 75 16.809 13.320 13.016 1.00 41.34 H new ATOM 0 HA TRP A 75 15.980 11.762 15.136 1.00 40.41 H new ATOM 0 HB2 TRP A 75 15.051 12.102 12.716 1.00 13.35 H new ATOM 0 HB3 TRP A 75 16.087 10.758 12.281 1.00 13.35 H new ATOM 0 HD1 TRP A 75 15.664 8.582 14.334 1.00 70.22 H new ATOM 0 HE1 TRP A 75 13.371 7.515 14.875 1.00 4.31 H new ATOM 0 HE3 TRP A 75 12.663 12.354 12.636 1.00 42.14 H new ATOM 0 HZ2 TRP A 75 10.664 8.230 14.599 1.00 23.30 H new ATOM 0 HZ3 TRP A 75 10.222 12.089 12.808 1.00 54.44 H new ATOM 0 HH2 TRP A 75 9.237 10.054 13.780 1.00 41.42 H new ATOM 1222 N TYR A 76 18.561 10.471 13.552 1.00 31.14 N ATOM 1223 CA TYR A 76 19.608 9.460 13.644 1.00 10.44 C ATOM 1224 C TYR A 76 20.990 10.107 13.645 1.00 20.45 C ATOM 1225 O TYR A 76 22.005 9.428 13.491 1.00 54.30 O ATOM 1226 CB TYR A 76 19.496 8.472 12.482 1.00 13.23 C ATOM 1227 CG TYR A 76 20.350 7.236 12.654 1.00 52.32 C ATOM 1228 CD1 TYR A 76 20.302 6.492 13.826 1.00 13.12 C ATOM 1229 CD2 TYR A 76 21.205 6.813 11.644 1.00 5.42 C ATOM 1230 CE1 TYR A 76 21.081 5.363 13.988 1.00 74.42 C ATOM 1231 CE2 TYR A 76 21.987 5.684 11.796 1.00 11.55 C ATOM 1232 CZ TYR A 76 21.921 4.963 12.970 1.00 61.40 C ATOM 1233 OH TYR A 76 22.699 3.838 13.126 1.00 0.30 O ATOM 0 H TYR A 76 18.677 11.129 12.781 1.00 31.14 H new ATOM 0 HA TYR A 76 19.477 8.922 14.583 1.00 10.44 H new ATOM 0 HB2 TYR A 76 18.454 8.171 12.371 1.00 13.23 H new ATOM 0 HB3 TYR A 76 19.782 8.976 11.559 1.00 13.23 H new ATOM 0 HD1 TYR A 76 19.644 6.802 14.625 1.00 13.12 H new ATOM 0 HD2 TYR A 76 21.259 7.376 10.724 1.00 5.42 H new ATOM 0 HE1 TYR A 76 21.033 4.797 14.906 1.00 74.42 H new ATOM 0 HE2 TYR A 76 22.646 5.368 11.001 1.00 11.55 H new ATOM 0 HH TYR A 76 23.232 3.694 12.316 1.00 0.30 H new ATOM 1243 N ASN A 77 21.020 11.424 13.822 1.00 61.34 N ATOM 1244 CA ASN A 77 22.277 12.163 13.843 1.00 13.42 C ATOM 1245 C ASN A 77 23.140 11.805 12.637 1.00 32.03 C ATOM 1246 O ASN A 77 23.942 10.872 12.691 1.00 74.13 O ATOM 1247 CB ASN A 77 23.041 11.873 15.136 1.00 24.12 C ATOM 1248 CG ASN A 77 22.123 11.464 16.272 1.00 61.35 C ATOM 1249 OD1 ASN A 77 22.165 10.326 16.739 1.00 73.51 O ATOM 1250 ND2 ASN A 77 21.287 12.393 16.720 1.00 23.15 N ATOM 0 H ASN A 77 20.189 12.001 13.953 1.00 61.34 H new ATOM 0 HA ASN A 77 22.045 13.227 13.797 1.00 13.42 H new ATOM 0 HB2 ASN A 77 23.767 11.080 14.956 1.00 24.12 H new ATOM 0 HB3 ASN A 77 23.604 12.759 15.429 1.00 24.12 H new ATOM 0 HD21 ASN A 77 20.644 12.176 17.482 1.00 23.15 H new ATOM 0 HD22 ASN A 77 21.287 13.324 16.302 1.00 23.15 H new ATOM 1257 N ILE A 78 22.970 12.553 11.552 1.00 20.50 N ATOM 1258 CA ILE A 78 23.734 12.315 10.334 1.00 64.30 C ATOM 1259 C ILE A 78 24.967 13.210 10.275 1.00 4.01 C ATOM 1260 O ILE A 78 24.857 14.435 10.213 1.00 2.11 O ATOM 1261 CB ILE A 78 22.879 12.555 9.076 1.00 14.23 C ATOM 1262 CG1 ILE A 78 21.974 11.350 8.810 1.00 44.01 C ATOM 1263 CG2 ILE A 78 23.769 12.832 7.874 1.00 25.24 C ATOM 1264 CD1 ILE A 78 22.734 10.091 8.456 1.00 44.03 C ATOM 0 H ILE A 78 22.310 13.329 11.492 1.00 20.50 H new ATOM 0 HA ILE A 78 24.046 11.271 10.357 1.00 64.30 H new ATOM 0 HB ILE A 78 22.249 13.428 9.245 1.00 14.23 H new ATOM 0 HG12 ILE A 78 21.365 11.161 9.694 1.00 44.01 H new ATOM 0 HG13 ILE A 78 21.289 11.592 7.997 1.00 44.01 H new ATOM 0 HG21 ILE A 78 23.149 12.999 6.993 1.00 25.24 H new ATOM 0 HG22 ILE A 78 24.374 13.718 8.066 1.00 25.24 H new ATOM 0 HG23 ILE A 78 24.423 11.977 7.701 1.00 25.24 H new ATOM 0 HD11 ILE A 78 22.030 9.278 8.281 1.00 44.03 H new ATOM 0 HD12 ILE A 78 23.322 10.262 7.554 1.00 44.03 H new ATOM 0 HD13 ILE A 78 23.399 9.824 9.278 1.00 44.03 H new ATOM 1276 N THR A 79 26.144 12.590 10.293 1.00 15.41 N ATOM 1277 CA THR A 79 27.398 13.330 10.241 1.00 1.31 C ATOM 1278 C THR A 79 27.796 13.638 8.802 1.00 71.40 C ATOM 1279 O THR A 79 28.438 14.651 8.528 1.00 2.45 O ATOM 1280 CB THR A 79 28.539 12.550 10.922 1.00 52.43 C ATOM 1281 OG1 THR A 79 28.483 11.171 10.542 1.00 24.34 O ATOM 1282 CG2 THR A 79 28.448 12.669 12.436 1.00 53.55 C ATOM 0 H THR A 79 26.254 11.577 10.343 1.00 15.41 H new ATOM 0 HA THR A 79 27.236 14.265 10.778 1.00 1.31 H new ATOM 0 HB THR A 79 29.487 12.978 10.597 1.00 52.43 H new ATOM 0 HG1 THR A 79 29.212 10.682 10.977 1.00 24.34 H new ATOM 0 HG21 THR A 79 29.264 12.110 12.895 1.00 53.55 H new ATOM 0 HG22 THR A 79 28.520 13.718 12.724 1.00 53.55 H new ATOM 0 HG23 THR A 79 27.495 12.264 12.776 1.00 53.55 H new ATOM 1290 N SER A 80 27.410 12.756 7.885 1.00 13.20 N ATOM 1291 CA SER A 80 27.729 12.932 6.473 1.00 1.32 C ATOM 1292 C SER A 80 26.467 13.204 5.660 1.00 11.04 C ATOM 1293 O SER A 80 25.718 12.285 5.330 1.00 74.14 O ATOM 1294 CB SER A 80 28.441 11.692 5.931 1.00 22.50 C ATOM 1295 OG SER A 80 28.180 10.559 6.741 1.00 33.42 O ATOM 0 H SER A 80 26.876 11.913 8.095 1.00 13.20 H new ATOM 0 HA SER A 80 28.392 13.792 6.381 1.00 1.32 H new ATOM 0 HB2 SER A 80 28.112 11.497 4.910 1.00 22.50 H new ATOM 0 HB3 SER A 80 29.515 11.874 5.890 1.00 22.50 H new ATOM 0 HG SER A 80 28.645 9.779 6.372 1.00 33.42 H new ATOM 1301 N VAL A 81 26.238 14.474 5.342 1.00 52.04 N ATOM 1302 CA VAL A 81 25.068 14.869 4.567 1.00 75.43 C ATOM 1303 C VAL A 81 24.785 13.869 3.450 1.00 1.44 C ATOM 1304 O VAL A 81 23.707 13.280 3.369 1.00 24.44 O ATOM 1305 CB VAL A 81 25.247 16.270 3.953 1.00 21.11 C ATOM 1306 CG1 VAL A 81 24.054 17.154 4.283 1.00 41.23 C ATOM 1307 CG2 VAL A 81 26.541 16.903 4.441 1.00 24.11 C ATOM 0 H VAL A 81 26.847 15.247 5.609 1.00 52.04 H new ATOM 0 HA VAL A 81 24.224 14.888 5.257 1.00 75.43 H new ATOM 0 HB VAL A 81 25.305 16.169 2.869 1.00 21.11 H new ATOM 0 HG11 VAL A 81 24.198 18.140 3.841 1.00 41.23 H new ATOM 0 HG12 VAL A 81 23.146 16.705 3.880 1.00 41.23 H new ATOM 0 HG13 VAL A 81 23.962 17.251 5.365 1.00 41.23 H new ATOM 0 HG21 VAL A 81 26.652 17.892 3.997 1.00 24.11 H new ATOM 0 HG22 VAL A 81 26.515 16.993 5.527 1.00 24.11 H new ATOM 0 HG23 VAL A 81 27.385 16.278 4.149 1.00 24.11 H new ATOM 1317 N PRO A 82 25.776 13.673 2.568 1.00 73.32 N ATOM 1318 CA PRO A 82 25.658 12.744 1.440 1.00 61.40 C ATOM 1319 C PRO A 82 25.637 11.287 1.889 1.00 33.50 C ATOM 1320 O PRO A 82 26.633 10.573 1.766 1.00 31.05 O ATOM 1321 CB PRO A 82 26.914 13.030 0.612 1.00 33.34 C ATOM 1322 CG PRO A 82 27.895 13.579 1.590 1.00 73.30 C ATOM 1323 CD PRO A 82 27.087 14.342 2.603 1.00 20.42 C ATOM 0 HA PRO A 82 24.727 12.886 0.891 1.00 61.40 H new ATOM 0 HB2 PRO A 82 27.291 12.123 0.139 1.00 33.34 H new ATOM 0 HB3 PRO A 82 26.708 13.744 -0.186 1.00 33.34 H new ATOM 0 HG2 PRO A 82 28.462 12.778 2.066 1.00 73.30 H new ATOM 0 HG3 PRO A 82 28.616 14.230 1.096 1.00 73.30 H new ATOM 0 HD2 PRO A 82 27.537 14.293 3.595 1.00 20.42 H new ATOM 0 HD3 PRO A 82 27.007 15.397 2.341 1.00 20.42 H new ATOM 1331 N THR A 83 24.494 10.849 2.410 1.00 43.22 N ATOM 1332 CA THR A 83 24.343 9.477 2.878 1.00 44.23 C ATOM 1333 C THR A 83 23.524 8.648 1.895 1.00 4.11 C ATOM 1334 O THR A 83 22.854 9.191 1.017 1.00 42.33 O ATOM 1335 CB THR A 83 23.669 9.427 4.262 1.00 73.35 C ATOM 1336 OG1 THR A 83 23.619 10.740 4.831 1.00 71.24 O ATOM 1337 CG2 THR A 83 24.421 8.492 5.196 1.00 32.54 C ATOM 0 H THR A 83 23.659 11.425 2.518 1.00 43.22 H new ATOM 0 HA THR A 83 25.346 9.057 2.955 1.00 44.23 H new ATOM 0 HB THR A 83 22.655 9.049 4.134 1.00 73.35 H new ATOM 0 HG1 THR A 83 24.522 11.121 4.855 1.00 71.24 H new ATOM 0 HG21 THR A 83 23.927 8.473 6.167 1.00 32.54 H new ATOM 0 HG22 THR A 83 24.431 7.487 4.774 1.00 32.54 H new ATOM 0 HG23 THR A 83 25.445 8.845 5.317 1.00 32.54 H new ATOM 1345 N PHE A 84 23.582 7.329 2.049 1.00 10.41 N ATOM 1346 CA PHE A 84 22.845 6.425 1.174 1.00 22.44 C ATOM 1347 C PHE A 84 22.077 5.388 1.988 1.00 75.50 C ATOM 1348 O PHE A 84 22.671 4.551 2.669 1.00 55.32 O ATOM 1349 CB PHE A 84 23.802 5.724 0.208 1.00 60.04 C ATOM 1350 CG PHE A 84 23.898 6.395 -1.133 1.00 0.34 C ATOM 1351 CD1 PHE A 84 25.128 6.777 -1.644 1.00 54.24 C ATOM 1352 CD2 PHE A 84 22.758 6.645 -1.880 1.00 65.23 C ATOM 1353 CE1 PHE A 84 25.219 7.395 -2.878 1.00 25.24 C ATOM 1354 CE2 PHE A 84 22.844 7.262 -3.114 1.00 62.41 C ATOM 1355 CZ PHE A 84 24.076 7.638 -3.613 1.00 0.22 C ATOM 0 H PHE A 84 24.131 6.863 2.771 1.00 10.41 H new ATOM 0 HA PHE A 84 22.130 7.015 0.602 1.00 22.44 H new ATOM 0 HB2 PHE A 84 24.794 5.684 0.657 1.00 60.04 H new ATOM 0 HB3 PHE A 84 23.474 4.694 0.067 1.00 60.04 H new ATOM 0 HD1 PHE A 84 26.025 6.590 -1.073 1.00 54.24 H new ATOM 0 HD2 PHE A 84 21.792 6.355 -1.494 1.00 65.23 H new ATOM 0 HE1 PHE A 84 26.184 7.687 -3.266 1.00 25.24 H new ATOM 0 HE2 PHE A 84 21.948 7.450 -3.688 1.00 62.41 H new ATOM 0 HZ PHE A 84 24.145 8.121 -4.576 1.00 0.22 H new ATOM 1365 N VAL A 85 20.751 5.449 1.912 1.00 32.15 N ATOM 1366 CA VAL A 85 19.900 4.516 2.641 1.00 75.33 C ATOM 1367 C VAL A 85 19.047 3.689 1.685 1.00 63.53 C ATOM 1368 O VAL A 85 18.426 4.226 0.768 1.00 50.23 O ATOM 1369 CB VAL A 85 18.975 5.252 3.628 1.00 3.53 C ATOM 1370 CG1 VAL A 85 18.496 4.306 4.719 1.00 42.43 C ATOM 1371 CG2 VAL A 85 19.688 6.454 4.229 1.00 5.32 C ATOM 0 H VAL A 85 20.243 6.135 1.353 1.00 32.15 H new ATOM 0 HA VAL A 85 20.562 3.855 3.199 1.00 75.33 H new ATOM 0 HB VAL A 85 18.102 5.610 3.083 1.00 3.53 H new ATOM 0 HG11 VAL A 85 17.844 4.844 5.407 1.00 42.43 H new ATOM 0 HG12 VAL A 85 17.946 3.480 4.269 1.00 42.43 H new ATOM 0 HG13 VAL A 85 19.355 3.915 5.265 1.00 42.43 H new ATOM 0 HG21 VAL A 85 19.020 6.963 4.924 1.00 5.32 H new ATOM 0 HG22 VAL A 85 20.579 6.120 4.760 1.00 5.32 H new ATOM 0 HG23 VAL A 85 19.976 7.141 3.434 1.00 5.32 H new ATOM 1381 N ILE A 86 19.023 2.379 1.906 1.00 75.43 N ATOM 1382 CA ILE A 86 18.245 1.477 1.065 1.00 51.13 C ATOM 1383 C ILE A 86 17.079 0.871 1.839 1.00 5.00 C ATOM 1384 O ILE A 86 17.262 0.323 2.925 1.00 21.24 O ATOM 1385 CB ILE A 86 19.118 0.341 0.500 1.00 33.30 C ATOM 1386 CG1 ILE A 86 20.552 0.829 0.284 1.00 73.20 C ATOM 1387 CG2 ILE A 86 18.529 -0.183 -0.801 1.00 52.34 C ATOM 1388 CD1 ILE A 86 21.481 -0.241 -0.244 1.00 61.41 C ATOM 0 H ILE A 86 19.533 1.919 2.660 1.00 75.43 H new ATOM 0 HA ILE A 86 17.858 2.072 0.238 1.00 51.13 H new ATOM 0 HB ILE A 86 19.137 -0.476 1.222 1.00 33.30 H new ATOM 0 HG12 ILE A 86 20.541 1.666 -0.414 1.00 73.20 H new ATOM 0 HG13 ILE A 86 20.945 1.206 1.228 1.00 73.20 H new ATOM 0 HG21 ILE A 86 19.157 -0.985 -1.188 1.00 52.34 H new ATOM 0 HG22 ILE A 86 17.525 -0.565 -0.618 1.00 52.34 H new ATOM 0 HG23 ILE A 86 18.482 0.625 -1.531 1.00 52.34 H new ATOM 0 HD11 ILE A 86 22.480 0.176 -0.373 1.00 61.41 H new ATOM 0 HD12 ILE A 86 21.522 -1.069 0.464 1.00 61.41 H new ATOM 0 HD13 ILE A 86 21.112 -0.602 -1.204 1.00 61.41 H new ATOM 1400 N GLU A 87 15.882 0.973 1.271 1.00 71.41 N ATOM 1401 CA GLU A 87 14.687 0.433 1.908 1.00 15.14 C ATOM 1402 C GLU A 87 13.828 -0.326 0.901 1.00 63.43 C ATOM 1403 O GLU A 87 13.722 0.065 -0.262 1.00 20.02 O ATOM 1404 CB GLU A 87 13.869 1.559 2.545 1.00 31.21 C ATOM 1405 CG GLU A 87 12.994 2.311 1.556 1.00 64.42 C ATOM 1406 CD GLU A 87 13.768 2.797 0.346 1.00 71.14 C ATOM 1407 OE1 GLU A 87 14.847 3.397 0.534 1.00 61.41 O ATOM 1408 OE2 GLU A 87 13.294 2.578 -0.789 1.00 4.31 O ATOM 0 H GLU A 87 15.714 1.424 0.372 1.00 71.41 H new ATOM 0 HA GLU A 87 15.004 -0.262 2.685 1.00 15.14 H new ATOM 0 HB2 GLU A 87 13.239 1.140 3.329 1.00 31.21 H new ATOM 0 HB3 GLU A 87 14.548 2.263 3.025 1.00 31.21 H new ATOM 0 HG2 GLU A 87 12.183 1.662 1.227 1.00 64.42 H new ATOM 0 HG3 GLU A 87 12.536 3.164 2.057 1.00 64.42 H new ATOM 1415 N LYS A 88 13.218 -1.416 1.355 1.00 52.32 N ATOM 1416 CA LYS A 88 12.368 -2.231 0.496 1.00 70.44 C ATOM 1417 C LYS A 88 10.961 -2.346 1.073 1.00 53.12 C ATOM 1418 O LYS A 88 10.569 -3.399 1.575 1.00 51.43 O ATOM 1419 CB LYS A 88 12.974 -3.626 0.320 1.00 13.21 C ATOM 1420 CG LYS A 88 12.141 -4.545 -0.557 1.00 40.30 C ATOM 1421 CD LYS A 88 11.938 -5.903 0.093 1.00 63.11 C ATOM 1422 CE LYS A 88 10.584 -6.496 -0.265 1.00 42.05 C ATOM 1423 NZ LYS A 88 10.060 -7.375 0.816 1.00 60.41 N ATOM 0 H LYS A 88 13.297 -1.755 2.314 1.00 52.32 H new ATOM 0 HA LYS A 88 12.304 -1.743 -0.477 1.00 70.44 H new ATOM 0 HB2 LYS A 88 13.970 -3.528 -0.113 1.00 13.21 H new ATOM 0 HB3 LYS A 88 13.097 -4.086 1.301 1.00 13.21 H new ATOM 0 HG2 LYS A 88 11.172 -4.085 -0.751 1.00 40.30 H new ATOM 0 HG3 LYS A 88 12.632 -4.672 -1.522 1.00 40.30 H new ATOM 0 HD2 LYS A 88 12.729 -6.582 -0.225 1.00 63.11 H new ATOM 0 HD3 LYS A 88 12.019 -5.805 1.176 1.00 63.11 H new ATOM 0 HE2 LYS A 88 9.874 -5.691 -0.455 1.00 42.05 H new ATOM 0 HE3 LYS A 88 10.671 -7.069 -1.188 1.00 42.05 H new ATOM 0 HZ1 LYS A 88 9.136 -7.759 0.533 1.00 60.41 H new ATOM 0 HZ2 LYS A 88 10.725 -8.158 0.980 1.00 60.41 H new ATOM 0 HZ3 LYS A 88 9.952 -6.823 1.691 1.00 60.41 H new ATOM 1437 N GLY A 89 10.204 -1.255 0.997 1.00 72.35 N ATOM 1438 CA GLY A 89 8.848 -1.256 1.514 1.00 1.41 C ATOM 1439 C GLY A 89 8.751 -1.894 2.885 1.00 21.14 C ATOM 1440 O GLY A 89 7.779 -2.585 3.189 1.00 45.00 O ATOM 0 H GLY A 89 10.506 -0.371 0.587 1.00 72.35 H new ATOM 0 HA2 GLY A 89 8.482 -0.231 1.567 1.00 1.41 H new ATOM 0 HA3 GLY A 89 8.199 -1.791 0.821 1.00 1.41 H new ATOM 1444 N GLY A 90 9.763 -1.664 3.717 1.00 61.12 N ATOM 1445 CA GLY A 90 9.769 -2.231 5.053 1.00 41.32 C ATOM 1446 C GLY A 90 10.763 -1.545 5.969 1.00 63.21 C ATOM 1447 O GLY A 90 10.449 -0.527 6.584 1.00 4.11 O ATOM 0 H GLY A 90 10.578 -1.095 3.489 1.00 61.12 H new ATOM 0 HA2 GLY A 90 8.770 -2.153 5.482 1.00 41.32 H new ATOM 0 HA3 GLY A 90 10.008 -3.293 4.993 1.00 41.32 H new ATOM 1451 N GLU A 91 11.965 -2.106 6.061 1.00 42.12 N ATOM 1452 CA GLU A 91 13.007 -1.542 6.911 1.00 22.40 C ATOM 1453 C GLU A 91 14.317 -1.396 6.142 1.00 50.32 C ATOM 1454 O GLU A 91 14.512 -1.988 5.080 1.00 3.31 O ATOM 1455 CB GLU A 91 13.223 -2.423 8.143 1.00 33.34 C ATOM 1456 CG GLU A 91 12.606 -1.858 9.411 1.00 14.44 C ATOM 1457 CD GLU A 91 11.438 -2.686 9.912 1.00 25.11 C ATOM 1458 OE1 GLU A 91 11.568 -3.301 10.991 1.00 22.24 O ATOM 1459 OE2 GLU A 91 10.396 -2.720 9.225 1.00 2.24 O ATOM 0 H GLU A 91 12.241 -2.949 5.558 1.00 42.12 H new ATOM 0 HA GLU A 91 12.682 -0.553 7.232 1.00 22.40 H new ATOM 0 HB2 GLU A 91 12.801 -3.410 7.952 1.00 33.34 H new ATOM 0 HB3 GLU A 91 14.293 -2.559 8.299 1.00 33.34 H new ATOM 0 HG2 GLU A 91 13.368 -1.804 10.188 1.00 14.44 H new ATOM 0 HG3 GLU A 91 12.269 -0.838 9.223 1.00 14.44 H new ATOM 1466 N PRO A 92 15.237 -0.587 6.689 1.00 74.11 N ATOM 1467 CA PRO A 92 16.544 -0.343 6.072 1.00 53.02 C ATOM 1468 C PRO A 92 17.448 -1.570 6.125 1.00 1.51 C ATOM 1469 O PRO A 92 17.809 -2.041 7.204 1.00 2.13 O ATOM 1470 CB PRO A 92 17.129 0.790 6.918 1.00 43.43 C ATOM 1471 CG PRO A 92 16.456 0.663 8.240 1.00 32.34 C ATOM 1472 CD PRO A 92 15.072 0.151 7.953 1.00 75.25 C ATOM 0 HA PRO A 92 16.456 -0.101 5.013 1.00 53.02 H new ATOM 0 HB2 PRO A 92 18.211 0.694 7.014 1.00 43.43 H new ATOM 0 HB3 PRO A 92 16.934 1.763 6.466 1.00 43.43 H new ATOM 0 HG2 PRO A 92 16.999 -0.023 8.890 1.00 32.34 H new ATOM 0 HG3 PRO A 92 16.418 1.624 8.752 1.00 32.34 H new ATOM 0 HD2 PRO A 92 14.709 -0.496 8.752 1.00 75.25 H new ATOM 0 HD3 PRO A 92 14.355 0.966 7.852 1.00 75.25 H new ATOM 1480 N LEU A 93 17.811 -2.082 4.955 1.00 64.13 N ATOM 1481 CA LEU A 93 18.675 -3.255 4.868 1.00 40.31 C ATOM 1482 C LEU A 93 20.082 -2.863 4.428 1.00 21.22 C ATOM 1483 O LEU A 93 21.051 -3.565 4.715 1.00 0.35 O ATOM 1484 CB LEU A 93 18.088 -4.274 3.890 1.00 52.21 C ATOM 1485 CG LEU A 93 18.582 -5.713 4.043 1.00 13.21 C ATOM 1486 CD1 LEU A 93 18.180 -6.274 5.398 1.00 14.22 C ATOM 1487 CD2 LEU A 93 18.039 -6.585 2.920 1.00 22.14 C ATOM 0 H LEU A 93 17.521 -1.704 4.053 1.00 64.13 H new ATOM 0 HA LEU A 93 18.736 -3.705 5.859 1.00 40.31 H new ATOM 0 HB2 LEU A 93 17.004 -4.270 4.000 1.00 52.21 H new ATOM 0 HB3 LEU A 93 18.307 -3.942 2.875 1.00 52.21 H new ATOM 0 HG LEU A 93 19.670 -5.712 3.982 1.00 13.21 H new ATOM 0 HD11 LEU A 93 18.540 -7.299 5.489 1.00 14.22 H new ATOM 0 HD12 LEU A 93 18.617 -5.664 6.189 1.00 14.22 H new ATOM 0 HD13 LEU A 93 17.094 -6.262 5.489 1.00 14.22 H new ATOM 0 HD21 LEU A 93 18.401 -7.606 3.045 1.00 22.14 H new ATOM 0 HD22 LEU A 93 16.949 -6.580 2.950 1.00 22.14 H new ATOM 0 HD23 LEU A 93 18.378 -6.195 1.960 1.00 22.14 H new ATOM 1499 N GLY A 94 20.187 -1.736 3.731 1.00 52.13 N ATOM 1500 CA GLY A 94 21.479 -1.269 3.265 1.00 64.35 C ATOM 1501 C GLY A 94 21.830 0.103 3.805 1.00 72.03 C ATOM 1502 O GLY A 94 20.944 0.900 4.113 1.00 22.54 O ATOM 0 H GLY A 94 19.400 -1.138 3.481 1.00 52.13 H new ATOM 0 HA2 GLY A 94 22.248 -1.981 3.564 1.00 64.35 H new ATOM 0 HA3 GLY A 94 21.479 -1.238 2.175 1.00 64.35 H new ATOM 1506 N GLU A 95 23.125 0.379 3.920 1.00 21.24 N ATOM 1507 CA GLU A 95 23.589 1.664 4.430 1.00 62.12 C ATOM 1508 C GLU A 95 25.069 1.869 4.120 1.00 2.42 C ATOM 1509 O GLU A 95 25.875 0.947 4.246 1.00 3.54 O ATOM 1510 CB GLU A 95 23.355 1.754 5.939 1.00 23.23 C ATOM 1511 CG GLU A 95 24.323 0.915 6.756 1.00 23.42 C ATOM 1512 CD GLU A 95 23.717 0.425 8.057 1.00 72.22 C ATOM 1513 OE1 GLU A 95 23.436 1.268 8.934 1.00 11.03 O ATOM 1514 OE2 GLU A 95 23.523 -0.801 8.197 1.00 3.35 O ATOM 0 H GLU A 95 23.871 -0.269 3.667 1.00 21.24 H new ATOM 0 HA GLU A 95 23.019 2.450 3.935 1.00 62.12 H new ATOM 0 HB2 GLU A 95 23.438 2.795 6.250 1.00 23.23 H new ATOM 0 HB3 GLU A 95 22.336 1.436 6.160 1.00 23.23 H new ATOM 0 HG2 GLU A 95 24.644 0.058 6.164 1.00 23.42 H new ATOM 0 HG3 GLU A 95 25.214 1.504 6.974 1.00 23.42 H new ATOM 1521 N VAL A 96 25.419 3.086 3.714 1.00 64.55 N ATOM 1522 CA VAL A 96 26.802 3.414 3.386 1.00 32.40 C ATOM 1523 C VAL A 96 27.133 4.850 3.775 1.00 14.11 C ATOM 1524 O VAL A 96 26.277 5.733 3.719 1.00 14.34 O ATOM 1525 CB VAL A 96 27.083 3.222 1.884 1.00 42.42 C ATOM 1526 CG1 VAL A 96 28.530 3.567 1.563 1.00 14.33 C ATOM 1527 CG2 VAL A 96 26.759 1.798 1.459 1.00 43.24 C ATOM 0 H VAL A 96 24.764 3.860 3.604 1.00 64.55 H new ATOM 0 HA VAL A 96 27.433 2.732 3.956 1.00 32.40 H new ATOM 0 HB VAL A 96 26.440 3.899 1.322 1.00 42.42 H new ATOM 0 HG11 VAL A 96 28.710 3.425 0.497 1.00 14.33 H new ATOM 0 HG12 VAL A 96 28.724 4.606 1.829 1.00 14.33 H new ATOM 0 HG13 VAL A 96 29.194 2.917 2.133 1.00 14.33 H new ATOM 0 HG21 VAL A 96 26.964 1.680 0.395 1.00 43.24 H new ATOM 0 HG22 VAL A 96 27.375 1.100 2.026 1.00 43.24 H new ATOM 0 HG23 VAL A 96 25.706 1.592 1.651 1.00 43.24 H new ATOM 1537 N LYS A 97 28.381 5.078 4.169 1.00 31.12 N ATOM 1538 CA LYS A 97 28.828 6.408 4.566 1.00 32.34 C ATOM 1539 C LYS A 97 30.150 6.761 3.893 1.00 50.20 C ATOM 1540 O LYS A 97 31.213 6.306 4.314 1.00 51.55 O ATOM 1541 CB LYS A 97 28.982 6.483 6.087 1.00 15.42 C ATOM 1542 CG LYS A 97 27.845 5.823 6.847 1.00 35.41 C ATOM 1543 CD LYS A 97 28.296 4.537 7.519 1.00 22.14 C ATOM 1544 CE LYS A 97 28.380 4.697 9.030 1.00 41.44 C ATOM 1545 NZ LYS A 97 29.756 5.053 9.474 1.00 22.30 N ATOM 0 H LYS A 97 29.102 4.358 4.222 1.00 31.12 H new ATOM 0 HA LYS A 97 28.074 7.128 4.247 1.00 32.34 H new ATOM 0 HB2 LYS A 97 29.921 6.010 6.372 1.00 15.42 H new ATOM 0 HB3 LYS A 97 29.048 7.529 6.386 1.00 15.42 H new ATOM 0 HG2 LYS A 97 27.461 6.512 7.599 1.00 35.41 H new ATOM 0 HG3 LYS A 97 27.025 5.608 6.162 1.00 35.41 H new ATOM 0 HD2 LYS A 97 27.600 3.734 7.275 1.00 22.14 H new ATOM 0 HD3 LYS A 97 29.270 4.243 7.128 1.00 22.14 H new ATOM 0 HE2 LYS A 97 27.683 5.470 9.353 1.00 41.44 H new ATOM 0 HE3 LYS A 97 28.072 3.769 9.511 1.00 41.44 H new ATOM 0 HZ1 LYS A 97 29.772 5.153 10.509 1.00 22.30 H new ATOM 0 HZ2 LYS A 97 30.418 4.303 9.188 1.00 22.30 H new ATOM 0 HZ3 LYS A 97 30.041 5.952 9.035 1.00 22.30 H new ATOM 1559 N GLY A 98 30.076 7.577 2.845 1.00 21.34 N ATOM 1560 CA GLY A 98 31.274 7.978 2.132 1.00 44.21 C ATOM 1561 C GLY A 98 31.068 8.023 0.631 1.00 70.21 C ATOM 1562 O GLY A 98 30.182 7.365 0.085 1.00 63.43 O ATOM 0 H GLY A 98 29.208 7.967 2.478 1.00 21.34 H new ATOM 0 HA2 GLY A 98 31.589 8.961 2.482 1.00 44.21 H new ATOM 0 HA3 GLY A 98 32.081 7.283 2.364 1.00 44.21 H new ATOM 1566 N PRO A 99 31.899 8.816 -0.061 1.00 52.23 N ATOM 1567 CA PRO A 99 31.822 8.964 -1.518 1.00 1.23 C ATOM 1568 C PRO A 99 32.258 7.701 -2.252 1.00 44.35 C ATOM 1569 O PRO A 99 33.451 7.466 -2.448 1.00 51.34 O ATOM 1570 CB PRO A 99 32.790 10.114 -1.809 1.00 21.30 C ATOM 1571 CG PRO A 99 33.757 10.091 -0.676 1.00 20.11 C ATOM 1572 CD PRO A 99 32.978 9.630 0.524 1.00 34.44 C ATOM 0 HA PRO A 99 30.803 9.151 -1.856 1.00 1.23 H new ATOM 0 HB2 PRO A 99 33.296 9.973 -2.764 1.00 21.30 H new ATOM 0 HB3 PRO A 99 32.266 11.068 -1.863 1.00 21.30 H new ATOM 0 HG2 PRO A 99 34.587 9.416 -0.885 1.00 20.11 H new ATOM 0 HG3 PRO A 99 34.184 11.079 -0.508 1.00 20.11 H new ATOM 0 HD2 PRO A 99 33.597 9.046 1.205 1.00 34.44 H new ATOM 0 HD3 PRO A 99 32.583 10.471 1.094 1.00 34.44 H new ATOM 1580 N ASP A 100 31.286 6.892 -2.657 1.00 53.01 N ATOM 1581 CA ASP A 100 31.570 5.653 -3.372 1.00 54.21 C ATOM 1582 C ASP A 100 30.513 5.388 -4.440 1.00 61.31 C ATOM 1583 O ASP A 100 29.934 4.303 -4.498 1.00 30.43 O ATOM 1584 CB ASP A 100 31.631 4.478 -2.395 1.00 45.11 C ATOM 1585 CG ASP A 100 30.291 4.194 -1.746 1.00 23.22 C ATOM 1586 OD1 ASP A 100 29.904 4.948 -0.829 1.00 10.42 O ATOM 1587 OD2 ASP A 100 29.629 3.217 -2.155 1.00 45.41 O ATOM 0 H ASP A 100 30.294 7.072 -2.503 1.00 53.01 H new ATOM 0 HA ASP A 100 32.538 5.759 -3.862 1.00 54.21 H new ATOM 0 HB2 ASP A 100 31.971 3.587 -2.923 1.00 45.11 H new ATOM 0 HB3 ASP A 100 32.368 4.691 -1.621 1.00 45.11 H new ATOM 1592 N ILE A 101 30.267 6.386 -5.282 1.00 71.52 N ATOM 1593 CA ILE A 101 29.280 6.259 -6.348 1.00 2.33 C ATOM 1594 C ILE A 101 29.606 5.083 -7.262 1.00 12.11 C ATOM 1595 O ILE A 101 28.713 4.487 -7.866 1.00 4.43 O ATOM 1596 CB ILE A 101 29.197 7.544 -7.193 1.00 13.12 C ATOM 1597 CG1 ILE A 101 28.621 8.692 -6.360 1.00 64.22 C ATOM 1598 CG2 ILE A 101 28.350 7.307 -8.435 1.00 3.34 C ATOM 1599 CD1 ILE A 101 27.192 8.462 -5.921 1.00 42.30 C ATOM 0 H ILE A 101 30.737 7.291 -5.247 1.00 71.52 H new ATOM 0 HA ILE A 101 28.317 6.086 -5.868 1.00 2.33 H new ATOM 0 HB ILE A 101 30.203 7.819 -7.510 1.00 13.12 H new ATOM 0 HG12 ILE A 101 29.244 8.839 -5.478 1.00 64.22 H new ATOM 0 HG13 ILE A 101 28.670 9.613 -6.942 1.00 64.22 H new ATOM 0 HG21 ILE A 101 28.301 8.224 -9.022 1.00 3.34 H new ATOM 0 HG22 ILE A 101 28.798 6.515 -9.035 1.00 3.34 H new ATOM 0 HG23 ILE A 101 27.344 7.012 -8.138 1.00 3.34 H new ATOM 0 HD11 ILE A 101 26.849 9.315 -5.335 1.00 42.30 H new ATOM 0 HD12 ILE A 101 26.556 8.345 -6.799 1.00 42.30 H new ATOM 0 HD13 ILE A 101 27.139 7.559 -5.312 1.00 42.30 H new ATOM 1611 N ASP A 102 30.889 4.753 -7.358 1.00 11.03 N ATOM 1612 CA ASP A 102 31.333 3.646 -8.196 1.00 60.50 C ATOM 1613 C ASP A 102 31.092 2.308 -7.502 1.00 43.34 C ATOM 1614 O ASP A 102 30.844 1.294 -8.154 1.00 60.15 O ATOM 1615 CB ASP A 102 32.816 3.798 -8.536 1.00 4.11 C ATOM 1616 CG ASP A 102 33.041 4.616 -9.792 1.00 44.41 C ATOM 1617 OD1 ASP A 102 33.038 4.027 -10.893 1.00 75.13 O ATOM 1618 OD2 ASP A 102 33.220 5.846 -9.674 1.00 44.52 O ATOM 0 H ASP A 102 31.640 5.237 -6.866 1.00 11.03 H new ATOM 0 HA ASP A 102 30.753 3.666 -9.119 1.00 60.50 H new ATOM 0 HB2 ASP A 102 33.331 4.272 -7.700 1.00 4.11 H new ATOM 0 HB3 ASP A 102 33.259 2.811 -8.665 1.00 4.11 H new ATOM 1623 N LYS A 103 31.168 2.314 -6.176 1.00 24.41 N ATOM 1624 CA LYS A 103 30.959 1.102 -5.392 1.00 51.11 C ATOM 1625 C LYS A 103 29.477 0.898 -5.092 1.00 24.31 C ATOM 1626 O LYS A 103 29.048 -0.208 -4.759 1.00 54.34 O ATOM 1627 CB LYS A 103 31.750 1.173 -4.084 1.00 61.11 C ATOM 1628 CG LYS A 103 32.401 -0.143 -3.695 1.00 62.11 C ATOM 1629 CD LYS A 103 33.485 0.059 -2.649 1.00 34.41 C ATOM 1630 CE LYS A 103 34.725 -0.763 -2.965 1.00 73.41 C ATOM 1631 NZ LYS A 103 35.794 0.064 -3.591 1.00 34.44 N ATOM 0 H LYS A 103 31.373 3.145 -5.621 1.00 24.41 H new ATOM 0 HA LYS A 103 31.314 0.254 -5.978 1.00 51.11 H new ATOM 0 HB2 LYS A 103 32.522 1.937 -4.177 1.00 61.11 H new ATOM 0 HB3 LYS A 103 31.083 1.490 -3.282 1.00 61.11 H new ATOM 0 HG2 LYS A 103 31.643 -0.824 -3.308 1.00 62.11 H new ATOM 0 HG3 LYS A 103 32.831 -0.613 -4.580 1.00 62.11 H new ATOM 0 HD2 LYS A 103 33.751 1.115 -2.598 1.00 34.41 H new ATOM 0 HD3 LYS A 103 33.102 -0.221 -1.668 1.00 34.41 H new ATOM 0 HE2 LYS A 103 35.105 -1.214 -2.048 1.00 73.41 H new ATOM 0 HE3 LYS A 103 34.458 -1.580 -3.636 1.00 73.41 H new ATOM 0 HZ1 LYS A 103 36.622 -0.533 -3.791 1.00 34.44 H new ATOM 0 HZ2 LYS A 103 35.440 0.474 -4.479 1.00 34.44 H new ATOM 0 HZ3 LYS A 103 36.067 0.828 -2.941 1.00 34.44 H new ATOM 1645 N LEU A 104 28.701 1.969 -5.212 1.00 71.24 N ATOM 1646 CA LEU A 104 27.266 1.907 -4.955 1.00 62.54 C ATOM 1647 C LEU A 104 26.602 0.846 -5.828 1.00 23.24 C ATOM 1648 O LEU A 104 25.548 0.313 -5.480 1.00 40.32 O ATOM 1649 CB LEU A 104 26.623 3.270 -5.212 1.00 55.21 C ATOM 1650 CG LEU A 104 25.122 3.368 -4.933 1.00 23.51 C ATOM 1651 CD1 LEU A 104 24.872 4.027 -3.586 1.00 12.52 C ATOM 1652 CD2 LEU A 104 24.422 4.136 -6.044 1.00 13.01 C ATOM 0 H LEU A 104 29.041 2.891 -5.486 1.00 71.24 H new ATOM 0 HA LEU A 104 27.120 1.635 -3.910 1.00 62.54 H new ATOM 0 HB2 LEU A 104 27.135 4.012 -4.600 1.00 55.21 H new ATOM 0 HB3 LEU A 104 26.797 3.541 -6.253 1.00 55.21 H new ATOM 0 HG LEU A 104 24.711 2.359 -4.902 1.00 23.51 H new ATOM 0 HD11 LEU A 104 23.799 4.088 -3.404 1.00 12.52 H new ATOM 0 HD12 LEU A 104 25.340 3.435 -2.799 1.00 12.52 H new ATOM 0 HD13 LEU A 104 25.298 5.030 -3.587 1.00 12.52 H new ATOM 0 HD21 LEU A 104 23.355 4.196 -5.829 1.00 13.01 H new ATOM 0 HD22 LEU A 104 24.836 5.142 -6.108 1.00 13.01 H new ATOM 0 HD23 LEU A 104 24.572 3.621 -6.993 1.00 13.01 H new ATOM 1664 N ARG A 105 27.228 0.542 -6.960 1.00 54.33 N ATOM 1665 CA ARG A 105 26.698 -0.456 -7.882 1.00 11.33 C ATOM 1666 C ARG A 105 26.886 -1.864 -7.325 1.00 10.23 C ATOM 1667 O ARG A 105 26.065 -2.750 -7.562 1.00 45.40 O ATOM 1668 CB ARG A 105 27.384 -0.339 -9.244 1.00 4.42 C ATOM 1669 CG ARG A 105 28.824 -0.827 -9.244 1.00 51.23 C ATOM 1670 CD ARG A 105 29.570 -0.360 -10.484 1.00 40.32 C ATOM 1671 NE ARG A 105 30.317 -1.445 -11.115 1.00 13.20 N ATOM 1672 CZ ARG A 105 31.435 -1.956 -10.613 1.00 63.00 C ATOM 1673 NH1 ARG A 105 31.934 -1.483 -9.479 1.00 74.20 N ATOM 1674 NH2 ARG A 105 32.057 -2.943 -11.245 1.00 45.35 N ATOM 0 H ARG A 105 28.103 0.972 -7.261 1.00 54.33 H new ATOM 0 HA ARG A 105 25.631 -0.271 -8.004 1.00 11.33 H new ATOM 0 HB2 ARG A 105 26.816 -0.910 -9.978 1.00 4.42 H new ATOM 0 HB3 ARG A 105 27.362 0.703 -9.564 1.00 4.42 H new ATOM 0 HG2 ARG A 105 29.333 -0.461 -8.352 1.00 51.23 H new ATOM 0 HG3 ARG A 105 28.840 -1.916 -9.197 1.00 51.23 H new ATOM 0 HD2 ARG A 105 28.860 0.055 -11.199 1.00 40.32 H new ATOM 0 HD3 ARG A 105 30.256 0.443 -10.213 1.00 40.32 H new ATOM 0 HE ARG A 105 29.960 -1.831 -11.989 1.00 13.20 H new ATOM 0 HH11 ARG A 105 31.459 -0.725 -8.990 1.00 74.20 H new ATOM 0 HH12 ARG A 105 32.793 -1.878 -9.096 1.00 74.20 H new ATOM 0 HH21 ARG A 105 31.676 -3.310 -12.117 1.00 45.35 H new ATOM 0 HH22 ARG A 105 32.916 -3.335 -10.859 1.00 45.35 H new ATOM 1688 N GLU A 106 27.972 -2.062 -6.584 1.00 11.41 N ATOM 1689 CA GLU A 106 28.268 -3.362 -5.995 1.00 35.40 C ATOM 1690 C GLU A 106 27.697 -3.463 -4.583 1.00 42.31 C ATOM 1691 O GLU A 106 27.470 -4.558 -4.069 1.00 31.34 O ATOM 1692 CB GLU A 106 29.778 -3.602 -5.965 1.00 5.13 C ATOM 1693 CG GLU A 106 30.527 -2.649 -5.048 1.00 65.21 C ATOM 1694 CD GLU A 106 31.917 -3.146 -4.700 1.00 31.44 C ATOM 1695 OE1 GLU A 106 32.110 -3.612 -3.557 1.00 23.21 O ATOM 1696 OE2 GLU A 106 32.810 -3.070 -5.568 1.00 45.33 O ATOM 0 H GLU A 106 28.661 -1.339 -6.378 1.00 11.41 H new ATOM 0 HA GLU A 106 27.799 -4.127 -6.613 1.00 35.40 H new ATOM 0 HB2 GLU A 106 29.968 -4.626 -5.645 1.00 5.13 H new ATOM 0 HB3 GLU A 106 30.173 -3.506 -6.976 1.00 5.13 H new ATOM 0 HG2 GLU A 106 30.604 -1.674 -5.528 1.00 65.21 H new ATOM 0 HG3 GLU A 106 29.955 -2.509 -4.131 1.00 65.21 H new ATOM 1703 N THR A 107 27.468 -2.311 -3.960 1.00 43.54 N ATOM 1704 CA THR A 107 26.927 -2.267 -2.608 1.00 73.11 C ATOM 1705 C THR A 107 25.412 -2.443 -2.616 1.00 65.14 C ATOM 1706 O THR A 107 24.838 -3.015 -1.688 1.00 45.34 O ATOM 1707 CB THR A 107 27.274 -0.941 -1.906 1.00 41.20 C ATOM 1708 OG1 THR A 107 28.609 -0.545 -2.239 1.00 65.40 O ATOM 1709 CG2 THR A 107 27.141 -1.076 -0.397 1.00 24.53 C ATOM 0 H THR A 107 27.649 -1.395 -4.371 1.00 43.54 H new ATOM 0 HA THR A 107 27.383 -3.090 -2.059 1.00 73.11 H new ATOM 0 HB THR A 107 26.573 -0.180 -2.249 1.00 41.20 H new ATOM 0 HG1 THR A 107 28.635 -0.228 -3.166 1.00 65.40 H new ATOM 0 HG21 THR A 107 27.391 -0.127 0.077 1.00 24.53 H new ATOM 0 HG22 THR A 107 26.116 -1.348 -0.145 1.00 24.53 H new ATOM 0 HG23 THR A 107 27.820 -1.850 -0.040 1.00 24.53 H new ATOM 1717 N LEU A 108 24.770 -1.949 -3.669 1.00 61.51 N ATOM 1718 CA LEU A 108 23.321 -2.053 -3.799 1.00 33.03 C ATOM 1719 C LEU A 108 22.923 -3.394 -4.407 1.00 32.00 C ATOM 1720 O LEU A 108 21.804 -3.868 -4.211 1.00 74.12 O ATOM 1721 CB LEU A 108 22.783 -0.909 -4.661 1.00 30.44 C ATOM 1722 CG LEU A 108 22.581 -1.224 -6.143 1.00 62.13 C ATOM 1723 CD1 LEU A 108 21.186 -1.779 -6.386 1.00 41.43 C ATOM 1724 CD2 LEU A 108 22.818 0.019 -6.989 1.00 70.43 C ATOM 0 H LEU A 108 25.230 -1.473 -4.445 1.00 61.51 H new ATOM 0 HA LEU A 108 22.886 -1.984 -2.802 1.00 33.03 H new ATOM 0 HB2 LEU A 108 21.829 -0.585 -4.245 1.00 30.44 H new ATOM 0 HB3 LEU A 108 23.469 -0.066 -4.579 1.00 30.44 H new ATOM 0 HG LEU A 108 23.307 -1.983 -6.436 1.00 62.13 H new ATOM 0 HD11 LEU A 108 21.061 -1.997 -7.447 1.00 41.43 H new ATOM 0 HD12 LEU A 108 21.053 -2.694 -5.809 1.00 41.43 H new ATOM 0 HD13 LEU A 108 20.443 -1.044 -6.077 1.00 41.43 H new ATOM 0 HD21 LEU A 108 22.670 -0.223 -8.041 1.00 70.43 H new ATOM 0 HD22 LEU A 108 22.116 0.799 -6.694 1.00 70.43 H new ATOM 0 HD23 LEU A 108 23.838 0.373 -6.838 1.00 70.43 H new ATOM 1736 N ASP A 109 23.847 -4.001 -5.143 1.00 71.04 N ATOM 1737 CA ASP A 109 23.594 -5.290 -5.778 1.00 10.52 C ATOM 1738 C ASP A 109 23.612 -6.415 -4.748 1.00 55.02 C ATOM 1739 O ASP A 109 22.694 -7.232 -4.693 1.00 75.53 O ATOM 1740 CB ASP A 109 24.635 -5.560 -6.865 1.00 3.10 C ATOM 1741 CG ASP A 109 24.871 -7.041 -7.085 1.00 71.25 C ATOM 1742 OD1 ASP A 109 25.797 -7.595 -6.456 1.00 74.30 O ATOM 1743 OD2 ASP A 109 24.129 -7.647 -7.887 1.00 0.32 O ATOM 0 H ASP A 109 24.778 -3.622 -5.315 1.00 71.04 H new ATOM 0 HA ASP A 109 22.605 -5.255 -6.234 1.00 10.52 H new ATOM 0 HB2 ASP A 109 24.307 -5.105 -7.799 1.00 3.10 H new ATOM 0 HB3 ASP A 109 25.575 -5.082 -6.590 1.00 3.10 H new ATOM 1748 N GLU A 110 24.663 -6.450 -3.935 1.00 72.22 N ATOM 1749 CA GLU A 110 24.800 -7.477 -2.909 1.00 12.01 C ATOM 1750 C GLU A 110 23.569 -7.513 -2.008 1.00 31.14 C ATOM 1751 O GLU A 110 23.270 -8.534 -1.386 1.00 41.22 O ATOM 1752 CB GLU A 110 26.054 -7.225 -2.069 1.00 34.54 C ATOM 1753 CG GLU A 110 27.336 -7.198 -2.882 1.00 44.15 C ATOM 1754 CD GLU A 110 27.979 -8.566 -3.005 1.00 1.11 C ATOM 1755 OE1 GLU A 110 27.607 -9.315 -3.933 1.00 11.44 O ATOM 1756 OE2 GLU A 110 28.853 -8.888 -2.174 1.00 3.24 O ATOM 0 H GLU A 110 25.431 -5.780 -3.967 1.00 72.22 H new ATOM 0 HA GLU A 110 24.893 -8.442 -3.407 1.00 12.01 H new ATOM 0 HB2 GLU A 110 25.946 -6.275 -1.546 1.00 34.54 H new ATOM 0 HB3 GLU A 110 26.133 -8.001 -1.308 1.00 34.54 H new ATOM 0 HG2 GLU A 110 27.122 -6.811 -3.878 1.00 44.15 H new ATOM 0 HG3 GLU A 110 28.042 -6.510 -2.417 1.00 44.15 H new ATOM 1763 N LEU A 111 22.859 -6.392 -1.941 1.00 72.41 N ATOM 1764 CA LEU A 111 21.660 -6.294 -1.116 1.00 20.13 C ATOM 1765 C LEU A 111 20.406 -6.550 -1.945 1.00 15.32 C ATOM 1766 O LEU A 111 19.538 -7.332 -1.553 1.00 41.32 O ATOM 1767 CB LEU A 111 21.580 -4.914 -0.461 1.00 33.14 C ATOM 1768 CG LEU A 111 20.205 -4.500 0.066 1.00 41.25 C ATOM 1769 CD1 LEU A 111 20.348 -3.626 1.302 1.00 51.43 C ATOM 1770 CD2 LEU A 111 19.417 -3.774 -1.015 1.00 41.12 C ATOM 0 H LEU A 111 23.093 -5.538 -2.448 1.00 72.41 H new ATOM 0 HA LEU A 111 21.720 -7.056 -0.339 1.00 20.13 H new ATOM 0 HB2 LEU A 111 22.288 -4.885 0.367 1.00 33.14 H new ATOM 0 HB3 LEU A 111 21.908 -4.170 -1.187 1.00 33.14 H new ATOM 0 HG LEU A 111 19.657 -5.400 0.345 1.00 41.25 H new ATOM 0 HD11 LEU A 111 19.360 -3.341 1.663 1.00 51.43 H new ATOM 0 HD12 LEU A 111 20.873 -4.180 2.081 1.00 51.43 H new ATOM 0 HD13 LEU A 111 20.914 -2.729 1.050 1.00 51.43 H new ATOM 0 HD21 LEU A 111 18.441 -3.487 -0.623 1.00 41.12 H new ATOM 0 HD22 LEU A 111 19.961 -2.882 -1.324 1.00 41.12 H new ATOM 0 HD23 LEU A 111 19.284 -4.433 -1.873 1.00 41.12 H new ATOM 1782 N LEU A 112 20.317 -5.888 -3.093 1.00 15.51 N ATOM 1783 CA LEU A 112 19.169 -6.044 -3.980 1.00 32.53 C ATOM 1784 C LEU A 112 19.044 -7.487 -4.459 1.00 64.11 C ATOM 1785 O LEU A 112 17.972 -7.922 -4.879 1.00 44.31 O ATOM 1786 CB LEU A 112 19.295 -5.105 -5.180 1.00 70.14 C ATOM 1787 CG LEU A 112 18.025 -4.898 -6.007 1.00 64.52 C ATOM 1788 CD1 LEU A 112 16.895 -4.383 -5.130 1.00 21.10 C ATOM 1789 CD2 LEU A 112 18.289 -3.939 -7.159 1.00 21.23 C ATOM 0 H LEU A 112 21.026 -5.238 -3.432 1.00 15.51 H new ATOM 0 HA LEU A 112 18.270 -5.787 -3.419 1.00 32.53 H new ATOM 0 HB2 LEU A 112 19.633 -4.133 -4.821 1.00 70.14 H new ATOM 0 HB3 LEU A 112 20.074 -5.491 -5.838 1.00 70.14 H new ATOM 0 HG LEU A 112 17.725 -5.860 -6.423 1.00 64.52 H new ATOM 0 HD11 LEU A 112 16.000 -4.242 -5.736 1.00 21.10 H new ATOM 0 HD12 LEU A 112 16.689 -5.106 -4.341 1.00 21.10 H new ATOM 0 HD13 LEU A 112 17.185 -3.432 -4.684 1.00 21.10 H new ATOM 0 HD21 LEU A 112 17.375 -3.804 -7.737 1.00 21.23 H new ATOM 0 HD22 LEU A 112 18.615 -2.977 -6.764 1.00 21.23 H new ATOM 0 HD23 LEU A 112 19.067 -4.349 -7.803 1.00 21.23 H new ATOM 1801 N ALA A 113 20.148 -8.225 -4.391 1.00 75.11 N ATOM 1802 CA ALA A 113 20.161 -9.620 -4.814 1.00 12.10 C ATOM 1803 C ALA A 113 19.037 -10.406 -4.148 1.00 30.33 C ATOM 1804 O ALA A 113 18.520 -11.370 -4.714 1.00 43.40 O ATOM 1805 CB ALA A 113 21.508 -10.253 -4.501 1.00 63.52 C ATOM 0 H ALA A 113 21.044 -7.880 -4.047 1.00 75.11 H new ATOM 0 HA ALA A 113 20.000 -9.649 -5.892 1.00 12.10 H new ATOM 0 HB1 ALA A 113 21.504 -11.295 -4.822 1.00 63.52 H new ATOM 0 HB2 ALA A 113 22.295 -9.714 -5.029 1.00 63.52 H new ATOM 0 HB3 ALA A 113 21.692 -10.205 -3.428 1.00 63.52 H new ATOM 1811 N ARG A 114 18.664 -9.990 -2.942 1.00 52.10 N ATOM 1812 CA ARG A 114 17.602 -10.657 -2.198 1.00 63.10 C ATOM 1813 C ARG A 114 16.316 -10.711 -3.017 1.00 14.24 C ATOM 1814 O ARG A 114 15.738 -11.780 -3.216 1.00 20.41 O ATOM 1815 CB ARG A 114 17.347 -9.935 -0.874 1.00 20.02 C ATOM 1816 CG ARG A 114 16.140 -10.462 -0.116 1.00 14.04 C ATOM 1817 CD ARG A 114 16.512 -10.892 1.295 1.00 53.12 C ATOM 1818 NE ARG A 114 15.348 -11.336 2.056 1.00 34.55 N ATOM 1819 CZ ARG A 114 14.701 -12.471 1.815 1.00 72.33 C ATOM 1820 NH1 ARG A 114 15.103 -13.272 0.838 1.00 72.14 N ATOM 1821 NH2 ARG A 114 13.650 -12.807 2.552 1.00 73.24 N ATOM 0 H ARG A 114 19.081 -9.194 -2.459 1.00 52.10 H new ATOM 0 HA ARG A 114 17.923 -11.678 -1.991 1.00 63.10 H new ATOM 0 HB2 ARG A 114 18.231 -10.028 -0.243 1.00 20.02 H new ATOM 0 HB3 ARG A 114 17.206 -8.872 -1.071 1.00 20.02 H new ATOM 0 HG2 ARG A 114 15.372 -9.690 -0.072 1.00 14.04 H new ATOM 0 HG3 ARG A 114 15.712 -11.308 -0.654 1.00 14.04 H new ATOM 0 HD2 ARG A 114 17.243 -11.699 1.247 1.00 53.12 H new ATOM 0 HD3 ARG A 114 16.989 -10.060 1.814 1.00 53.12 H new ATOM 0 HE ARG A 114 15.013 -10.742 2.815 1.00 34.55 H new ATOM 0 HH11 ARG A 114 15.911 -13.017 0.269 1.00 72.14 H new ATOM 0 HH12 ARG A 114 14.605 -14.143 0.655 1.00 72.14 H new ATOM 0 HH21 ARG A 114 13.338 -12.194 3.305 1.00 73.24 H new ATOM 0 HH22 ARG A 114 13.154 -13.679 2.366 1.00 73.24 H new ATOM 1835 N LEU A 115 15.872 -9.551 -3.488 1.00 13.10 N ATOM 1836 CA LEU A 115 14.653 -9.465 -4.285 1.00 12.01 C ATOM 1837 C LEU A 115 14.955 -9.667 -5.766 1.00 63.12 C ATOM 1838 O LEU A 115 14.474 -10.617 -6.383 1.00 42.22 O ATOM 1839 CB LEU A 115 13.975 -8.110 -4.071 1.00 72.53 C ATOM 1840 CG LEU A 115 12.465 -8.146 -3.832 1.00 51.13 C ATOM 1841 CD1 LEU A 115 11.743 -8.681 -5.059 1.00 53.42 C ATOM 1842 CD2 LEU A 115 12.138 -8.990 -2.609 1.00 3.11 C ATOM 0 H LEU A 115 16.338 -8.657 -3.332 1.00 13.10 H new ATOM 0 HA LEU A 115 13.979 -10.257 -3.960 1.00 12.01 H new ATOM 0 HB2 LEU A 115 14.446 -7.621 -3.218 1.00 72.53 H new ATOM 0 HB3 LEU A 115 14.170 -7.487 -4.944 1.00 72.53 H new ATOM 0 HG LEU A 115 12.122 -7.128 -3.648 1.00 51.13 H new ATOM 0 HD11 LEU A 115 10.670 -8.699 -4.870 1.00 53.42 H new ATOM 0 HD12 LEU A 115 11.950 -8.036 -5.913 1.00 53.42 H new ATOM 0 HD13 LEU A 115 12.091 -9.691 -5.274 1.00 53.42 H new ATOM 0 HD21 LEU A 115 11.059 -9.004 -2.455 1.00 3.11 H new ATOM 0 HD22 LEU A 115 12.496 -10.008 -2.763 1.00 3.11 H new ATOM 0 HD23 LEU A 115 12.625 -8.563 -1.732 1.00 3.11 H new ATOM 1854 N GLU A 116 15.757 -8.769 -6.329 1.00 40.53 N ATOM 1855 CA GLU A 116 16.124 -8.850 -7.738 1.00 64.00 C ATOM 1856 C GLU A 116 17.534 -9.412 -7.901 1.00 51.41 C ATOM 1857 O GLU A 116 17.987 -9.662 -9.017 1.00 63.03 O ATOM 1858 CB GLU A 116 16.035 -7.470 -8.392 1.00 52.41 C ATOM 1859 CG GLU A 116 14.623 -7.078 -8.796 1.00 3.25 C ATOM 1860 CD GLU A 116 14.159 -7.784 -10.055 1.00 1.04 C ATOM 1861 OE1 GLU A 116 13.098 -8.441 -10.009 1.00 11.14 O ATOM 1862 OE2 GLU A 116 14.856 -7.680 -11.085 1.00 64.21 O ATOM 0 H GLU A 116 16.165 -7.977 -5.831 1.00 40.53 H new ATOM 0 HA GLU A 116 15.423 -9.523 -8.231 1.00 64.00 H new ATOM 0 HB2 GLU A 116 16.427 -6.724 -7.701 1.00 52.41 H new ATOM 0 HB3 GLU A 116 16.674 -7.454 -9.275 1.00 52.41 H new ATOM 0 HG2 GLU A 116 13.938 -7.310 -7.980 1.00 3.25 H new ATOM 0 HG3 GLU A 116 14.580 -6.000 -8.952 1.00 3.25 H new TER 1869 GLU A 116