USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 739 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 29 ASN : amide:sc= -0.406 K(o=-0.41,f=-3.7) USER MOD Set 1.2: A 96 TYR OH : rot 150:sc= 0 USER MOD Single : A 6 SER OG : rot -19:sc= 0.554 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0383 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc=-0.00832 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 140:sc= 0.503 (180deg=-2.28) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.206 K(o=-0.21,f=-1) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.373 X(o=-0.37,f=-0.61) USER MOD Single : A 32 GLN : amide:sc= 0.192 X(o=0.19,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0.418 USER MOD Single : A 37 CYS SG : rot -100:sc= -0.518 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0.0157 USER MOD Single : A 59 THR OG1 : rot 140:sc= 1.24 USER MOD Single : A 60 HIS : no HE2:sc= 0.68 K(o=0.68,f=-3.7!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 ASN :FLIP amide:sc=-0.000875 F(o=-2.9!,f=-0.00087) USER MOD Single : A 67 ASN : amide:sc= 0.182 K(o=0.18,f=-0.85) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.0185 X(o=-0.018,f=-0.018) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 132:sc=-0.00869 (180deg=-1.33) USER MOD Single : A 85 HIS : no HE2:sc= 0.249 K(o=0.25,f=-1.5) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 160:sc= 1.16 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00528) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0.961 K(o=0.96,f=0) USER MOD Single : A 102 GLN : amide:sc= 0.236 X(o=0.24,f=0) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 109 TYR OH : rot 173:sc= 1.41 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 63 N SER A 6 -8.327 -12.292 -12.444 1.00 42.31 N ATOM 64 CA SER A 6 -7.730 -12.176 -11.122 1.00 64.15 C ATOM 65 C SER A 6 -6.910 -13.408 -10.712 1.00 32.21 C ATOM 66 O SER A 6 -6.958 -13.881 -9.572 1.00 34.30 O ATOM 67 CB SER A 6 -8.832 -11.814 -10.121 1.00 61.41 C ATOM 68 OG SER A 6 -10.122 -12.251 -10.515 1.00 23.12 O ATOM 0 HA SER A 6 -6.991 -11.375 -11.137 1.00 64.15 H new ATOM 0 HB2 SER A 6 -8.589 -12.251 -9.152 1.00 61.41 H new ATOM 0 HB3 SER A 6 -8.849 -10.732 -9.987 1.00 61.41 H new ATOM 0 HG SER A 6 -10.125 -12.434 -11.478 1.00 23.12 H new ATOM 73 N ASP A 7 -6.114 -13.932 -11.637 1.00 71.32 N ATOM 74 CA ASP A 7 -5.510 -15.267 -11.550 1.00 53.11 C ATOM 75 C ASP A 7 -4.209 -15.303 -10.743 1.00 44.33 C ATOM 76 O ASP A 7 -3.506 -16.315 -10.697 1.00 65.41 O ATOM 77 CB ASP A 7 -5.291 -15.797 -12.973 1.00 34.24 C ATOM 78 CG ASP A 7 -5.866 -17.201 -13.105 1.00 13.23 C ATOM 79 OD1 ASP A 7 -7.109 -17.328 -12.984 1.00 1.21 O ATOM 80 OD2 ASP A 7 -5.082 -18.160 -13.308 1.00 34.21 O ATOM 0 H ASP A 7 -5.862 -13.433 -12.490 1.00 71.32 H new ATOM 0 HA ASP A 7 -6.200 -15.909 -11.003 1.00 53.11 H new ATOM 0 HB2 ASP A 7 -5.767 -15.132 -13.694 1.00 34.24 H new ATOM 0 HB3 ASP A 7 -4.226 -15.809 -13.205 1.00 34.24 H new ATOM 84 N THR A 8 -3.891 -14.176 -10.112 1.00 13.11 N ATOM 85 CA THR A 8 -2.693 -13.971 -9.302 1.00 51.45 C ATOM 86 C THR A 8 -2.602 -14.966 -8.119 1.00 64.11 C ATOM 87 O THR A 8 -3.636 -15.466 -7.658 1.00 63.43 O ATOM 88 CB THR A 8 -2.669 -12.500 -8.832 1.00 23.43 C ATOM 89 OG1 THR A 8 -3.948 -12.072 -8.402 1.00 61.41 O ATOM 90 CG2 THR A 8 -2.230 -11.545 -9.946 1.00 11.11 C ATOM 0 H THR A 8 -4.484 -13.347 -10.152 1.00 13.11 H new ATOM 0 HA THR A 8 -1.811 -14.172 -9.910 1.00 51.45 H new ATOM 0 HB THR A 8 -1.954 -12.470 -8.009 1.00 23.43 H new ATOM 0 HG1 THR A 8 -3.899 -11.138 -8.109 1.00 61.41 H new ATOM 0 HG21 THR A 8 -2.228 -10.522 -9.569 1.00 11.11 H new ATOM 0 HG22 THR A 8 -1.227 -11.811 -10.279 1.00 11.11 H new ATOM 0 HG23 THR A 8 -2.922 -11.621 -10.784 1.00 11.11 H new ATOM 98 N PRO A 9 -1.389 -15.216 -7.584 1.00 44.53 N ATOM 99 CA PRO A 9 -1.157 -16.099 -6.433 1.00 41.35 C ATOM 100 C PRO A 9 -1.803 -15.569 -5.145 1.00 32.31 C ATOM 101 O PRO A 9 -2.240 -14.417 -5.078 1.00 50.52 O ATOM 102 CB PRO A 9 0.367 -16.226 -6.310 1.00 30.44 C ATOM 103 CG PRO A 9 0.911 -14.986 -7.009 1.00 10.34 C ATOM 104 CD PRO A 9 -0.132 -14.654 -8.061 1.00 43.25 C ATOM 0 HA PRO A 9 -1.624 -17.072 -6.586 1.00 41.35 H new ATOM 0 HB2 PRO A 9 0.679 -16.262 -5.266 1.00 30.44 H new ATOM 0 HB3 PRO A 9 0.729 -17.139 -6.783 1.00 30.44 H new ATOM 0 HG2 PRO A 9 1.044 -14.162 -6.308 1.00 10.34 H new ATOM 0 HG3 PRO A 9 1.883 -15.180 -7.462 1.00 10.34 H new ATOM 0 HD2 PRO A 9 -0.216 -13.576 -8.199 1.00 43.25 H new ATOM 0 HD3 PRO A 9 0.142 -15.078 -9.027 1.00 43.25 H new ATOM 109 N LYS A 10 -1.839 -16.413 -4.108 1.00 5.51 N ATOM 110 CA LYS A 10 -2.297 -16.067 -2.765 1.00 5.03 C ATOM 111 C LYS A 10 -1.109 -15.796 -1.866 1.00 31.23 C ATOM 112 O LYS A 10 -0.144 -16.561 -1.868 1.00 30.34 O ATOM 113 CB LYS A 10 -3.198 -17.167 -2.179 1.00 25.14 C ATOM 114 CG LYS A 10 -4.629 -17.058 -2.740 1.00 5.14 C ATOM 115 CD LYS A 10 -5.084 -18.233 -3.612 1.00 72.42 C ATOM 116 CE LYS A 10 -6.162 -19.050 -2.893 1.00 13.43 C ATOM 117 NZ LYS A 10 -6.561 -20.228 -3.681 1.00 42.15 N ATOM 0 H LYS A 10 -1.540 -17.385 -4.186 1.00 5.51 H new ATOM 0 HA LYS A 10 -2.898 -15.160 -2.830 1.00 5.03 H new ATOM 0 HB2 LYS A 10 -2.784 -18.147 -2.415 1.00 25.14 H new ATOM 0 HB3 LYS A 10 -3.221 -17.084 -1.092 1.00 25.14 H new ATOM 0 HG2 LYS A 10 -5.322 -16.958 -1.905 1.00 5.14 H new ATOM 0 HG3 LYS A 10 -4.702 -16.142 -3.327 1.00 5.14 H new ATOM 0 HD2 LYS A 10 -5.473 -17.861 -4.560 1.00 72.42 H new ATOM 0 HD3 LYS A 10 -4.232 -18.871 -3.846 1.00 72.42 H new ATOM 0 HE2 LYS A 10 -5.789 -19.371 -1.920 1.00 13.43 H new ATOM 0 HE3 LYS A 10 -7.034 -18.422 -2.709 1.00 13.43 H new ATOM 0 HZ1 LYS A 10 -7.292 -20.759 -3.166 1.00 42.15 H new ATOM 0 HZ2 LYS A 10 -6.940 -19.919 -4.599 1.00 42.15 H new ATOM 0 HZ3 LYS A 10 -5.734 -20.839 -3.835 1.00 42.15 H new ATOM 127 N VAL A 11 -1.168 -14.685 -1.132 1.00 53.24 N ATOM 128 CA VAL A 11 -0.118 -14.274 -0.211 1.00 12.31 C ATOM 129 C VAL A 11 -0.038 -15.319 0.902 1.00 12.24 C ATOM 130 O VAL A 11 -1.063 -15.690 1.489 1.00 30.43 O ATOM 131 CB VAL A 11 -0.414 -12.851 0.310 1.00 1.01 C ATOM 132 CG1 VAL A 11 0.502 -12.387 1.446 1.00 43.22 C ATOM 133 CG2 VAL A 11 -0.282 -11.818 -0.823 1.00 21.52 C ATOM 0 H VAL A 11 -1.957 -14.040 -1.163 1.00 53.24 H new ATOM 0 HA VAL A 11 0.855 -14.224 -0.700 1.00 12.31 H new ATOM 0 HB VAL A 11 -1.432 -12.912 0.696 1.00 1.01 H new ATOM 0 HG11 VAL A 11 0.223 -11.378 1.749 1.00 43.22 H new ATOM 0 HG12 VAL A 11 0.399 -13.063 2.295 1.00 43.22 H new ATOM 0 HG13 VAL A 11 1.537 -12.390 1.103 1.00 43.22 H new ATOM 0 HG21 VAL A 11 -0.495 -10.822 -0.434 1.00 21.52 H new ATOM 0 HG22 VAL A 11 0.732 -11.843 -1.222 1.00 21.52 H new ATOM 0 HG23 VAL A 11 -0.990 -12.056 -1.617 1.00 21.52 H new ATOM 143 N THR A 12 1.171 -15.781 1.202 1.00 72.53 N ATOM 144 CA THR A 12 1.476 -16.806 2.189 1.00 4.23 C ATOM 145 C THR A 12 2.314 -16.259 3.351 1.00 43.03 C ATOM 146 O THR A 12 2.571 -17.004 4.304 1.00 31.11 O ATOM 147 CB THR A 12 2.199 -17.970 1.493 1.00 43.23 C ATOM 148 OG1 THR A 12 3.286 -17.485 0.736 1.00 22.52 O ATOM 149 CG2 THR A 12 1.282 -18.767 0.572 1.00 65.11 C ATOM 0 H THR A 12 2.008 -15.430 0.737 1.00 72.53 H new ATOM 0 HA THR A 12 0.540 -17.158 2.622 1.00 4.23 H new ATOM 0 HB THR A 12 2.545 -18.635 2.284 1.00 43.23 H new ATOM 0 HG1 THR A 12 3.740 -18.235 0.298 1.00 22.52 H new ATOM 0 HG21 THR A 12 1.846 -19.576 0.108 1.00 65.11 H new ATOM 0 HG22 THR A 12 0.459 -19.185 1.151 1.00 65.11 H new ATOM 0 HG23 THR A 12 0.885 -18.111 -0.202 1.00 65.11 H new ATOM 157 N GLY A 13 2.720 -14.986 3.316 1.00 4.31 N ATOM 158 CA GLY A 13 3.438 -14.328 4.400 1.00 64.41 C ATOM 159 C GLY A 13 3.290 -12.814 4.307 1.00 53.31 C ATOM 160 O GLY A 13 3.120 -12.277 3.212 1.00 43.33 O ATOM 0 H GLY A 13 2.553 -14.376 2.515 1.00 4.31 H new ATOM 0 HA2 GLY A 13 3.056 -14.677 5.359 1.00 64.41 H new ATOM 0 HA3 GLY A 13 4.493 -14.598 4.360 1.00 64.41 H new ATOM 164 N LEU A 14 3.327 -12.146 5.466 1.00 50.23 N ATOM 165 CA LEU A 14 3.277 -10.694 5.639 1.00 50.43 C ATOM 166 C LEU A 14 4.056 -10.356 6.910 1.00 62.11 C ATOM 167 O LEU A 14 3.661 -10.814 7.992 1.00 30.12 O ATOM 168 CB LEU A 14 1.828 -10.184 5.800 1.00 10.12 C ATOM 169 CG LEU A 14 1.087 -9.931 4.473 1.00 14.44 C ATOM 170 CD1 LEU A 14 -0.424 -9.878 4.704 1.00 70.41 C ATOM 171 CD2 LEU A 14 1.513 -8.609 3.828 1.00 11.41 C ATOM 0 H LEU A 14 3.397 -12.635 6.358 1.00 50.23 H new ATOM 0 HA LEU A 14 3.703 -10.218 4.756 1.00 50.43 H new ATOM 0 HB2 LEU A 14 1.263 -10.911 6.384 1.00 10.12 H new ATOM 0 HB3 LEU A 14 1.844 -9.258 6.374 1.00 10.12 H new ATOM 0 HG LEU A 14 1.344 -10.756 3.808 1.00 14.44 H new ATOM 0 HD11 LEU A 14 -0.931 -9.699 3.756 1.00 70.41 H new ATOM 0 HD12 LEU A 14 -0.762 -10.826 5.122 1.00 70.41 H new ATOM 0 HD13 LEU A 14 -0.658 -9.071 5.399 1.00 70.41 H new ATOM 0 HD21 LEU A 14 0.968 -8.467 2.895 1.00 11.41 H new ATOM 0 HD22 LEU A 14 1.291 -7.785 4.506 1.00 11.41 H new ATOM 0 HD23 LEU A 14 2.583 -8.632 3.623 1.00 11.41 H new ATOM 182 N LYS A 15 5.106 -9.536 6.819 1.00 23.11 N ATOM 183 CA LYS A 15 5.868 -9.039 7.971 1.00 44.24 C ATOM 184 C LYS A 15 6.020 -7.528 7.879 1.00 65.14 C ATOM 185 O LYS A 15 5.725 -6.925 6.851 1.00 23.51 O ATOM 186 CB LYS A 15 7.247 -9.725 8.054 1.00 71.54 C ATOM 187 CG LYS A 15 7.262 -10.969 8.946 1.00 71.34 C ATOM 188 CD LYS A 15 6.987 -10.701 10.443 1.00 74.15 C ATOM 189 CE LYS A 15 5.879 -11.652 10.899 1.00 10.44 C ATOM 190 NZ LYS A 15 5.574 -11.616 12.348 1.00 65.24 N ATOM 0 H LYS A 15 5.458 -9.191 5.926 1.00 23.11 H new ATOM 0 HA LYS A 15 5.321 -9.281 8.882 1.00 44.24 H new ATOM 0 HB2 LYS A 15 7.565 -10.005 7.050 1.00 71.54 H new ATOM 0 HB3 LYS A 15 7.977 -9.009 8.431 1.00 71.54 H new ATOM 0 HG2 LYS A 15 6.517 -11.673 8.575 1.00 71.34 H new ATOM 0 HG3 LYS A 15 8.234 -11.454 8.851 1.00 71.34 H new ATOM 0 HD2 LYS A 15 7.891 -10.860 11.031 1.00 74.15 H new ATOM 0 HD3 LYS A 15 6.686 -9.665 10.595 1.00 74.15 H new ATOM 0 HE2 LYS A 15 4.969 -11.416 10.347 1.00 10.44 H new ATOM 0 HE3 LYS A 15 6.161 -12.669 10.629 1.00 10.44 H new ATOM 0 HZ1 LYS A 15 4.813 -12.292 12.559 1.00 65.24 H new ATOM 0 HZ2 LYS A 15 6.425 -11.872 12.888 1.00 65.24 H new ATOM 0 HZ3 LYS A 15 5.270 -10.658 12.615 1.00 65.24 H new ATOM 200 N LEU A 16 6.516 -6.893 8.943 1.00 45.42 N ATOM 201 CA LEU A 16 6.621 -5.436 9.009 1.00 72.51 C ATOM 202 C LEU A 16 7.869 -4.981 9.740 1.00 10.32 C ATOM 203 O LEU A 16 8.286 -5.628 10.702 1.00 24.42 O ATOM 204 CB LEU A 16 5.410 -4.838 9.744 1.00 74.30 C ATOM 205 CG LEU A 16 4.568 -3.975 8.799 1.00 62.54 C ATOM 206 CD1 LEU A 16 3.377 -4.785 8.302 1.00 23.43 C ATOM 207 CD2 LEU A 16 4.163 -2.701 9.523 1.00 22.51 C ATOM 0 H LEU A 16 6.854 -7.372 9.778 1.00 45.42 H new ATOM 0 HA LEU A 16 6.662 -5.089 7.976 1.00 72.51 H new ATOM 0 HB2 LEU A 16 4.796 -5.640 10.154 1.00 74.30 H new ATOM 0 HB3 LEU A 16 5.752 -4.236 10.586 1.00 74.30 H new ATOM 0 HG LEU A 16 5.140 -3.680 7.919 1.00 62.54 H new ATOM 0 HD11 LEU A 16 2.776 -4.173 7.629 1.00 23.43 H new ATOM 0 HD12 LEU A 16 3.733 -5.667 7.770 1.00 23.43 H new ATOM 0 HD13 LEU A 16 2.768 -5.095 9.151 1.00 23.43 H new ATOM 0 HD21 LEU A 16 3.563 -2.080 8.858 1.00 22.51 H new ATOM 0 HD22 LEU A 16 3.579 -2.955 10.408 1.00 22.51 H new ATOM 0 HD23 LEU A 16 5.056 -2.153 9.823 1.00 22.51 H new ATOM 218 N LYS A 17 8.368 -3.802 9.361 1.00 3.22 N ATOM 219 CA LYS A 17 9.603 -3.214 9.862 1.00 11.01 C ATOM 220 C LYS A 17 9.365 -1.755 10.240 1.00 32.31 C ATOM 221 O LYS A 17 9.504 -0.864 9.407 1.00 44.23 O ATOM 222 CB LYS A 17 10.725 -3.392 8.816 1.00 1.25 C ATOM 223 CG LYS A 17 10.359 -2.968 7.373 1.00 53.44 C ATOM 224 CD LYS A 17 10.040 -4.084 6.376 1.00 24.02 C ATOM 225 CE LYS A 17 11.290 -4.748 5.798 1.00 24.04 C ATOM 226 NZ LYS A 17 11.950 -5.658 6.754 1.00 4.44 N ATOM 0 H LYS A 17 7.902 -3.212 8.671 1.00 3.22 H new ATOM 0 HA LYS A 17 9.928 -3.726 10.768 1.00 11.01 H new ATOM 0 HB2 LYS A 17 11.593 -2.816 9.137 1.00 1.25 H new ATOM 0 HB3 LYS A 17 11.025 -4.440 8.804 1.00 1.25 H new ATOM 0 HG2 LYS A 17 9.496 -2.304 7.425 1.00 53.44 H new ATOM 0 HG3 LYS A 17 11.187 -2.384 6.972 1.00 53.44 H new ATOM 0 HD2 LYS A 17 9.430 -4.840 6.870 1.00 24.02 H new ATOM 0 HD3 LYS A 17 9.443 -3.675 5.561 1.00 24.02 H new ATOM 0 HE2 LYS A 17 11.018 -5.306 4.902 1.00 24.04 H new ATOM 0 HE3 LYS A 17 11.996 -3.977 5.491 1.00 24.04 H new ATOM 0 HZ1 LYS A 17 12.278 -6.509 6.254 1.00 4.44 H new ATOM 0 HZ2 LYS A 17 12.763 -5.176 7.187 1.00 4.44 H new ATOM 0 HZ3 LYS A 17 11.274 -5.932 7.496 1.00 4.44 H new ATOM 236 N ARG A 18 9.014 -1.469 11.501 1.00 61.11 N ATOM 237 CA ARG A 18 8.835 -0.085 11.964 1.00 3.33 C ATOM 238 C ARG A 18 10.098 0.752 11.774 1.00 13.03 C ATOM 239 O ARG A 18 9.980 1.907 11.380 1.00 65.42 O ATOM 240 CB ARG A 18 8.214 -0.010 13.373 1.00 13.32 C ATOM 241 CG ARG A 18 9.066 -0.473 14.568 1.00 73.43 C ATOM 242 CD ARG A 18 8.120 -0.761 15.747 1.00 32.25 C ATOM 243 NE ARG A 18 8.818 -1.205 16.964 1.00 10.42 N ATOM 244 CZ ARG A 18 8.451 -2.172 17.818 1.00 41.34 C ATOM 245 NH1 ARG A 18 7.362 -2.902 17.599 1.00 65.30 N ATOM 246 NH2 ARG A 18 9.174 -2.424 18.905 1.00 44.04 N ATOM 0 H ARG A 18 8.849 -2.175 12.218 1.00 61.11 H new ATOM 0 HA ARG A 18 8.092 0.384 11.318 1.00 3.33 H new ATOM 0 HB2 ARG A 18 7.921 1.024 13.553 1.00 13.32 H new ATOM 0 HB3 ARG A 18 7.300 -0.603 13.366 1.00 13.32 H new ATOM 0 HG2 ARG A 18 9.633 -1.367 14.308 1.00 73.43 H new ATOM 0 HG3 ARG A 18 9.790 0.295 14.840 1.00 73.43 H new ATOM 0 HD2 ARG A 18 7.549 0.140 15.973 1.00 32.25 H new ATOM 0 HD3 ARG A 18 7.403 -1.526 15.449 1.00 32.25 H new ATOM 0 HE ARG A 18 9.687 -0.718 17.185 1.00 10.42 H new ATOM 0 HH11 ARG A 18 6.791 -2.731 16.771 1.00 65.30 H new ATOM 0 HH12 ARG A 18 7.097 -3.634 18.259 1.00 65.30 H new ATOM 0 HH21 ARG A 18 10.016 -1.880 19.095 1.00 44.04 H new ATOM 0 HH22 ARG A 18 8.887 -3.161 19.549 1.00 44.04 H new ATOM 257 N LYS A 19 11.273 0.123 11.892 1.00 73.20 N ATOM 258 CA LYS A 19 12.586 0.681 11.566 1.00 71.43 C ATOM 259 C LYS A 19 12.637 1.372 10.203 1.00 33.51 C ATOM 260 O LYS A 19 13.415 2.309 10.054 1.00 22.33 O ATOM 261 CB LYS A 19 13.633 -0.438 11.608 1.00 63.52 C ATOM 262 CG LYS A 19 13.986 -0.762 13.065 1.00 73.52 C ATOM 263 CD LYS A 19 14.395 -2.219 13.268 1.00 74.22 C ATOM 264 CE LYS A 19 13.203 -3.186 13.223 1.00 24.44 C ATOM 265 NZ LYS A 19 12.439 -3.199 14.488 1.00 14.14 N ATOM 0 H LYS A 19 11.335 -0.836 12.234 1.00 73.20 H new ATOM 0 HA LYS A 19 12.796 1.448 12.312 1.00 71.43 H new ATOM 0 HB2 LYS A 19 13.248 -1.328 11.111 1.00 63.52 H new ATOM 0 HB3 LYS A 19 14.528 -0.132 11.066 1.00 63.52 H new ATOM 0 HG2 LYS A 19 14.800 -0.113 13.389 1.00 73.52 H new ATOM 0 HG3 LYS A 19 13.128 -0.539 13.699 1.00 73.52 H new ATOM 0 HD2 LYS A 19 15.114 -2.500 12.498 1.00 74.22 H new ATOM 0 HD3 LYS A 19 14.901 -2.319 14.228 1.00 74.22 H new ATOM 0 HE2 LYS A 19 12.541 -2.904 12.405 1.00 24.44 H new ATOM 0 HE3 LYS A 19 13.563 -4.192 13.009 1.00 24.44 H new ATOM 0 HZ1 LYS A 19 11.645 -3.866 14.407 1.00 14.14 H new ATOM 0 HZ2 LYS A 19 13.062 -3.494 15.267 1.00 14.14 H new ATOM 0 HZ3 LYS A 19 12.071 -2.246 14.681 1.00 14.14 H new ATOM 275 N SER A 20 11.856 0.915 9.226 1.00 64.14 N ATOM 276 CA SER A 20 11.972 1.346 7.840 1.00 53.14 C ATOM 277 C SER A 20 10.605 1.712 7.254 1.00 44.51 C ATOM 278 O SER A 20 10.493 1.831 6.042 1.00 31.42 O ATOM 279 CB SER A 20 12.638 0.233 7.011 1.00 5.31 C ATOM 280 OG SER A 20 13.384 -0.695 7.792 1.00 64.42 O ATOM 0 H SER A 20 11.118 0.228 9.379 1.00 64.14 H new ATOM 0 HA SER A 20 12.592 2.242 7.805 1.00 53.14 H new ATOM 0 HB2 SER A 20 11.868 -0.307 6.459 1.00 5.31 H new ATOM 0 HB3 SER A 20 13.299 0.688 6.274 1.00 5.31 H new ATOM 0 HG SER A 20 13.778 -1.374 7.205 1.00 64.42 H new ATOM 285 N ARG A 21 9.553 1.795 8.084 1.00 72.50 N ATOM 286 CA ARG A 21 8.174 2.077 7.722 1.00 24.32 C ATOM 287 C ARG A 21 7.684 1.304 6.486 1.00 11.42 C ATOM 288 O ARG A 21 6.835 1.769 5.735 1.00 74.23 O ATOM 289 CB ARG A 21 8.031 3.605 7.730 1.00 44.21 C ATOM 290 CG ARG A 21 6.623 4.172 7.713 1.00 21.32 C ATOM 291 CD ARG A 21 5.886 3.802 8.999 1.00 62.24 C ATOM 292 NE ARG A 21 5.095 2.576 8.853 1.00 30.55 N ATOM 293 CZ ARG A 21 5.120 1.502 9.638 1.00 54.10 C ATOM 294 NH1 ARG A 21 6.022 1.391 10.604 1.00 3.45 N ATOM 295 NH2 ARG A 21 4.214 0.545 9.506 1.00 12.11 N ATOM 0 H ARG A 21 9.661 1.656 9.089 1.00 72.50 H new ATOM 0 HA ARG A 21 7.464 1.682 8.448 1.00 24.32 H new ATOM 0 HB2 ARG A 21 8.538 3.987 8.616 1.00 44.21 H new ATOM 0 HB3 ARG A 21 8.564 3.998 6.864 1.00 44.21 H new ATOM 0 HG2 ARG A 21 6.662 5.256 7.607 1.00 21.32 H new ATOM 0 HG3 ARG A 21 6.079 3.787 6.851 1.00 21.32 H new ATOM 0 HD2 ARG A 21 6.608 3.672 9.805 1.00 62.24 H new ATOM 0 HD3 ARG A 21 5.230 4.623 9.288 1.00 62.24 H new ATOM 0 HE ARG A 21 4.454 2.543 8.061 1.00 30.55 H new ATOM 0 HH11 ARG A 21 6.706 2.133 10.751 1.00 3.45 H new ATOM 0 HH12 ARG A 21 6.032 0.563 11.200 1.00 3.45 H new ATOM 0 HH21 ARG A 21 3.486 0.626 8.796 1.00 12.11 H new ATOM 0 HH22 ARG A 21 4.244 -0.273 10.114 1.00 12.11 H new ATOM 306 N GLN A 22 8.129 0.057 6.338 1.00 65.53 N ATOM 307 CA GLN A 22 7.805 -0.806 5.207 1.00 62.02 C ATOM 308 C GLN A 22 7.087 -2.078 5.673 1.00 72.51 C ATOM 309 O GLN A 22 7.078 -2.415 6.868 1.00 33.14 O ATOM 310 CB GLN A 22 9.101 -1.144 4.455 1.00 64.03 C ATOM 311 CG GLN A 22 9.499 -0.108 3.404 1.00 73.32 C ATOM 312 CD GLN A 22 10.648 -0.637 2.557 1.00 50.52 C ATOM 313 OE1 GLN A 22 10.425 -1.223 1.505 1.00 51.43 O ATOM 314 NE2 GLN A 22 11.883 -0.487 2.988 1.00 53.30 N ATOM 0 H GLN A 22 8.741 -0.391 7.020 1.00 65.53 H new ATOM 0 HA GLN A 22 7.124 -0.284 4.535 1.00 62.02 H new ATOM 0 HB2 GLN A 22 9.912 -1.244 5.177 1.00 64.03 H new ATOM 0 HB3 GLN A 22 8.985 -2.113 3.969 1.00 64.03 H new ATOM 0 HG2 GLN A 22 8.644 0.123 2.768 1.00 73.32 H new ATOM 0 HG3 GLN A 22 9.794 0.821 3.891 1.00 73.32 H new ATOM 0 HE21 GLN A 22 12.061 0.002 3.865 1.00 53.30 H new ATOM 0 HE22 GLN A 22 12.662 -0.860 2.445 1.00 53.30 H new ATOM 321 N LEU A 23 6.523 -2.812 4.711 1.00 14.01 N ATOM 322 CA LEU A 23 5.821 -4.080 4.879 1.00 44.34 C ATOM 323 C LEU A 23 6.276 -5.045 3.797 1.00 43.14 C ATOM 324 O LEU A 23 6.388 -4.670 2.637 1.00 71.12 O ATOM 325 CB LEU A 23 4.294 -3.808 4.874 1.00 30.21 C ATOM 326 CG LEU A 23 3.342 -4.990 4.555 1.00 70.41 C ATOM 327 CD1 LEU A 23 1.958 -4.850 5.222 1.00 61.13 C ATOM 328 CD2 LEU A 23 3.065 -5.029 3.054 1.00 14.25 C ATOM 0 H LEU A 23 6.548 -2.516 3.735 1.00 14.01 H new ATOM 0 HA LEU A 23 6.055 -4.551 5.834 1.00 44.34 H new ATOM 0 HB2 LEU A 23 4.022 -3.416 5.854 1.00 30.21 H new ATOM 0 HB3 LEU A 23 4.099 -3.018 4.149 1.00 30.21 H new ATOM 0 HG LEU A 23 3.844 -5.883 4.927 1.00 70.41 H new ATOM 0 HD11 LEU A 23 1.339 -5.708 4.960 1.00 61.13 H new ATOM 0 HD12 LEU A 23 2.078 -4.807 6.304 1.00 61.13 H new ATOM 0 HD13 LEU A 23 1.477 -3.936 4.874 1.00 61.13 H new ATOM 0 HD21 LEU A 23 2.396 -5.860 2.829 1.00 14.25 H new ATOM 0 HD22 LEU A 23 2.598 -4.093 2.746 1.00 14.25 H new ATOM 0 HD23 LEU A 23 4.003 -5.162 2.514 1.00 14.25 H new ATOM 339 N GLU A 24 6.585 -6.263 4.224 1.00 23.34 N ATOM 340 CA GLU A 24 7.098 -7.364 3.398 1.00 2.52 C ATOM 341 C GLU A 24 5.973 -8.344 3.098 1.00 61.20 C ATOM 342 O GLU A 24 5.096 -8.518 3.949 1.00 72.44 O ATOM 343 CB GLU A 24 8.184 -8.131 4.157 1.00 30.22 C ATOM 344 CG GLU A 24 9.337 -7.221 4.580 1.00 1.34 C ATOM 345 CD GLU A 24 10.436 -7.975 5.337 1.00 73.12 C ATOM 346 OE1 GLU A 24 10.121 -8.605 6.373 1.00 41.10 O ATOM 347 OE2 GLU A 24 11.635 -7.722 5.085 1.00 41.20 O ATOM 0 H GLU A 24 6.482 -6.529 5.203 1.00 23.34 H new ATOM 0 HA GLU A 24 7.503 -6.942 2.478 1.00 2.52 H new ATOM 0 HB2 GLU A 24 7.748 -8.598 5.040 1.00 30.22 H new ATOM 0 HB3 GLU A 24 8.568 -8.934 3.528 1.00 30.22 H new ATOM 0 HG2 GLU A 24 9.767 -6.751 3.696 1.00 1.34 H new ATOM 0 HG3 GLU A 24 8.950 -6.420 5.211 1.00 1.34 H new ATOM 352 N ILE A 25 6.014 -8.981 1.925 1.00 70.23 N ATOM 353 CA ILE A 25 4.927 -9.746 1.322 1.00 43.40 C ATOM 354 C ILE A 25 5.515 -10.939 0.609 1.00 23.01 C ATOM 355 O ILE A 25 6.532 -10.823 -0.082 1.00 14.50 O ATOM 356 CB ILE A 25 4.186 -8.846 0.290 1.00 3.33 C ATOM 357 CG1 ILE A 25 3.565 -7.583 0.925 1.00 22.05 C ATOM 358 CG2 ILE A 25 3.065 -9.589 -0.464 1.00 2.52 C ATOM 359 CD1 ILE A 25 3.439 -6.412 -0.047 1.00 24.15 C ATOM 0 H ILE A 25 6.851 -8.975 1.342 1.00 70.23 H new ATOM 0 HA ILE A 25 4.227 -10.077 2.089 1.00 43.40 H new ATOM 0 HB ILE A 25 4.969 -8.556 -0.411 1.00 3.33 H new ATOM 0 HG12 ILE A 25 2.577 -7.830 1.314 1.00 22.05 H new ATOM 0 HG13 ILE A 25 4.175 -7.276 1.775 1.00 22.05 H new ATOM 0 HG21 ILE A 25 2.587 -8.908 -1.168 1.00 2.52 H new ATOM 0 HG22 ILE A 25 3.489 -10.433 -1.007 1.00 2.52 H new ATOM 0 HG23 ILE A 25 2.325 -9.951 0.249 1.00 2.52 H new ATOM 0 HD11 ILE A 25 2.995 -5.559 0.466 1.00 24.15 H new ATOM 0 HD12 ILE A 25 4.427 -6.139 -0.417 1.00 24.15 H new ATOM 0 HD13 ILE A 25 2.805 -6.701 -0.885 1.00 24.15 H new ATOM 370 N SER A 26 4.822 -12.066 0.719 1.00 51.15 N ATOM 371 CA SER A 26 5.326 -13.346 0.281 1.00 42.33 C ATOM 372 C SER A 26 4.230 -14.141 -0.405 1.00 72.43 C ATOM 373 O SER A 26 3.084 -14.097 0.045 1.00 51.14 O ATOM 374 CB SER A 26 5.885 -14.095 1.503 1.00 2.14 C ATOM 375 OG SER A 26 6.167 -13.289 2.638 1.00 10.02 O ATOM 0 H SER A 26 3.885 -12.109 1.120 1.00 51.15 H new ATOM 0 HA SER A 26 6.125 -13.206 -0.448 1.00 42.33 H new ATOM 0 HB2 SER A 26 5.170 -14.864 1.794 1.00 2.14 H new ATOM 0 HB3 SER A 26 6.800 -14.607 1.206 1.00 2.14 H new ATOM 0 HG SER A 26 6.515 -13.852 3.361 1.00 10.02 H new ATOM 380 N PHE A 27 4.574 -14.881 -1.461 1.00 64.01 N ATOM 381 CA PHE A 27 3.625 -15.666 -2.244 1.00 24.41 C ATOM 382 C PHE A 27 3.969 -17.150 -2.237 1.00 2.30 C ATOM 383 O PHE A 27 5.084 -17.552 -1.896 1.00 25.22 O ATOM 384 CB PHE A 27 3.554 -15.144 -3.687 1.00 12.21 C ATOM 385 CG PHE A 27 2.673 -13.933 -3.881 1.00 64.32 C ATOM 386 CD1 PHE A 27 1.299 -14.056 -3.636 1.00 53.14 C ATOM 387 CD2 PHE A 27 3.180 -12.724 -4.380 1.00 31.40 C ATOM 388 CE1 PHE A 27 0.427 -12.983 -3.858 1.00 21.11 C ATOM 389 CE2 PHE A 27 2.301 -11.653 -4.612 1.00 70.25 C ATOM 390 CZ PHE A 27 0.928 -11.767 -4.343 1.00 2.13 C ATOM 0 H PHE A 27 5.534 -14.951 -1.799 1.00 64.01 H new ATOM 0 HA PHE A 27 2.648 -15.552 -1.775 1.00 24.41 H new ATOM 0 HB2 PHE A 27 4.563 -14.899 -4.020 1.00 12.21 H new ATOM 0 HB3 PHE A 27 3.192 -15.946 -4.331 1.00 12.21 H new ATOM 0 HD1 PHE A 27 0.906 -14.993 -3.270 1.00 53.14 H new ATOM 0 HD2 PHE A 27 4.235 -12.618 -4.584 1.00 31.40 H new ATOM 0 HE1 PHE A 27 -0.628 -13.092 -3.656 1.00 21.11 H new ATOM 0 HE2 PHE A 27 2.689 -10.725 -5.005 1.00 70.25 H new ATOM 0 HZ PHE A 27 0.267 -10.929 -4.507 1.00 2.13 H new ATOM 399 N ASP A 28 2.991 -17.964 -2.649 1.00 51.11 N ATOM 400 CA ASP A 28 3.118 -19.416 -2.784 1.00 61.35 C ATOM 401 C ASP A 28 3.887 -19.803 -4.057 1.00 53.53 C ATOM 402 O ASP A 28 4.311 -20.944 -4.214 1.00 21.41 O ATOM 403 CB ASP A 28 1.701 -20.006 -2.861 1.00 33.02 C ATOM 404 CG ASP A 28 1.613 -21.517 -2.646 1.00 61.15 C ATOM 405 OD1 ASP A 28 2.581 -22.159 -2.179 1.00 33.21 O ATOM 406 OD2 ASP A 28 0.502 -22.061 -2.842 1.00 32.54 O ATOM 0 H ASP A 28 2.065 -17.620 -2.904 1.00 51.11 H new ATOM 0 HA ASP A 28 3.671 -19.804 -1.929 1.00 61.35 H new ATOM 0 HB2 ASP A 28 1.078 -19.512 -2.115 1.00 33.02 H new ATOM 0 HB3 ASP A 28 1.278 -19.769 -3.837 1.00 33.02 H new ATOM 410 N ASN A 29 4.041 -18.859 -4.991 1.00 2.10 N ATOM 411 CA ASN A 29 4.532 -19.081 -6.351 1.00 10.31 C ATOM 412 C ASN A 29 6.030 -18.779 -6.494 1.00 5.21 C ATOM 413 O ASN A 29 6.502 -18.656 -7.624 1.00 45.34 O ATOM 414 CB ASN A 29 3.702 -18.245 -7.349 1.00 34.04 C ATOM 415 CG ASN A 29 4.130 -16.780 -7.414 1.00 50.54 C ATOM 416 OD1 ASN A 29 4.531 -16.202 -6.414 1.00 42.34 O ATOM 417 ND2 ASN A 29 4.010 -16.127 -8.559 1.00 73.33 N ATOM 0 H ASN A 29 3.817 -17.880 -4.811 1.00 2.10 H new ATOM 0 HA ASN A 29 4.410 -20.140 -6.577 1.00 10.31 H new ATOM 0 HB2 ASN A 29 3.789 -18.686 -8.342 1.00 34.04 H new ATOM 0 HB3 ASN A 29 2.650 -18.297 -7.069 1.00 34.04 H new ATOM 0 HD21 ASN A 29 4.252 -15.138 -8.610 1.00 73.33 H new ATOM 0 HD22 ASN A 29 3.675 -16.613 -9.391 1.00 73.33 H new ATOM 423 N GLY A 30 6.763 -18.622 -5.387 1.00 24.14 N ATOM 424 CA GLY A 30 8.200 -18.364 -5.431 1.00 51.32 C ATOM 425 C GLY A 30 8.525 -16.905 -5.743 1.00 62.15 C ATOM 426 O GLY A 30 9.442 -16.633 -6.520 1.00 71.43 O ATOM 0 H GLY A 30 6.378 -18.670 -4.444 1.00 24.14 H new ATOM 0 HA2 GLY A 30 8.643 -18.634 -4.473 1.00 51.32 H new ATOM 0 HA3 GLY A 30 8.657 -19.004 -6.186 1.00 51.32 H new ATOM 430 N GLN A 31 7.788 -15.965 -5.138 1.00 74.03 N ATOM 431 CA GLN A 31 8.117 -14.545 -5.133 1.00 52.21 C ATOM 432 C GLN A 31 7.936 -13.958 -3.734 1.00 44.21 C ATOM 433 O GLN A 31 7.167 -14.482 -2.920 1.00 4.53 O ATOM 434 CB GLN A 31 7.263 -13.789 -6.172 1.00 63.25 C ATOM 435 CG GLN A 31 7.871 -13.863 -7.582 1.00 2.32 C ATOM 436 CD GLN A 31 9.220 -13.141 -7.640 1.00 31.43 C ATOM 437 OE1 GLN A 31 10.284 -13.727 -7.477 1.00 25.43 O ATOM 438 NE2 GLN A 31 9.228 -11.834 -7.791 1.00 52.13 N ATOM 0 H GLN A 31 6.930 -16.181 -4.630 1.00 74.03 H new ATOM 0 HA GLN A 31 9.164 -14.428 -5.412 1.00 52.21 H new ATOM 0 HB2 GLN A 31 6.257 -14.209 -6.189 1.00 63.25 H new ATOM 0 HB3 GLN A 31 7.168 -12.745 -5.873 1.00 63.25 H new ATOM 0 HG2 GLN A 31 8.001 -14.906 -7.871 1.00 2.32 H new ATOM 0 HG3 GLN A 31 7.185 -13.416 -8.301 1.00 2.32 H new ATOM 0 HE21 GLN A 31 8.351 -11.331 -7.928 1.00 52.13 H new ATOM 0 HE22 GLN A 31 10.111 -11.324 -7.771 1.00 52.13 H new ATOM 445 N GLN A 32 8.664 -12.872 -3.471 1.00 72.12 N ATOM 446 CA GLN A 32 8.590 -11.999 -2.309 1.00 64.24 C ATOM 447 C GLN A 32 8.813 -10.559 -2.801 1.00 11.21 C ATOM 448 O GLN A 32 9.377 -10.369 -3.883 1.00 44.21 O ATOM 449 CB GLN A 32 9.644 -12.404 -1.252 1.00 13.40 C ATOM 450 CG GLN A 32 9.103 -13.384 -0.202 1.00 11.30 C ATOM 451 CD GLN A 32 9.593 -14.814 -0.270 1.00 65.34 C ATOM 452 OE1 GLN A 32 10.365 -15.283 0.561 1.00 52.53 O ATOM 453 NE2 GLN A 32 9.052 -15.616 -1.154 1.00 45.23 N ATOM 0 H GLN A 32 9.381 -12.558 -4.125 1.00 72.12 H new ATOM 0 HA GLN A 32 7.616 -12.082 -1.826 1.00 64.24 H new ATOM 0 HB2 GLN A 32 10.498 -12.856 -1.755 1.00 13.40 H new ATOM 0 HB3 GLN A 32 10.008 -11.508 -0.749 1.00 13.40 H new ATOM 0 HG2 GLN A 32 9.347 -12.990 0.785 1.00 11.30 H new ATOM 0 HG3 GLN A 32 8.016 -13.396 -0.280 1.00 11.30 H new ATOM 0 HE21 GLN A 32 8.408 -15.245 -1.853 1.00 45.23 H new ATOM 0 HE22 GLN A 32 9.275 -16.611 -1.143 1.00 45.23 H new ATOM 460 N PHE A 33 8.369 -9.551 -2.041 1.00 42.32 N ATOM 461 CA PHE A 33 8.703 -8.136 -2.218 1.00 13.34 C ATOM 462 C PHE A 33 8.336 -7.346 -0.955 1.00 61.13 C ATOM 463 O PHE A 33 7.715 -7.884 -0.037 1.00 22.45 O ATOM 464 CB PHE A 33 7.991 -7.544 -3.447 1.00 45.24 C ATOM 465 CG PHE A 33 6.547 -7.925 -3.650 1.00 72.22 C ATOM 466 CD1 PHE A 33 5.538 -7.242 -2.956 1.00 44.50 C ATOM 467 CD2 PHE A 33 6.209 -8.897 -4.609 1.00 21.13 C ATOM 468 CE1 PHE A 33 4.193 -7.520 -3.238 1.00 33.13 C ATOM 469 CE2 PHE A 33 4.862 -9.183 -4.877 1.00 73.24 C ATOM 470 CZ PHE A 33 3.853 -8.501 -4.175 1.00 22.35 C ATOM 0 H PHE A 33 7.741 -9.708 -1.253 1.00 42.32 H new ATOM 0 HA PHE A 33 9.777 -8.059 -2.386 1.00 13.34 H new ATOM 0 HB2 PHE A 33 8.049 -6.458 -3.381 1.00 45.24 H new ATOM 0 HB3 PHE A 33 8.548 -7.840 -4.336 1.00 45.24 H new ATOM 0 HD1 PHE A 33 5.795 -6.506 -2.209 1.00 44.50 H new ATOM 0 HD2 PHE A 33 6.988 -9.424 -5.140 1.00 21.13 H new ATOM 0 HE1 PHE A 33 3.414 -6.973 -2.728 1.00 33.13 H new ATOM 0 HE2 PHE A 33 4.602 -9.923 -5.619 1.00 73.24 H new ATOM 0 HZ PHE A 33 2.815 -8.735 -4.359 1.00 22.35 H new ATOM 479 N THR A 34 8.657 -6.054 -0.933 1.00 34.13 N ATOM 480 CA THR A 34 8.372 -5.126 0.148 1.00 31.45 C ATOM 481 C THR A 34 7.768 -3.866 -0.473 1.00 70.21 C ATOM 482 O THR A 34 8.160 -3.465 -1.567 1.00 45.50 O ATOM 483 CB THR A 34 9.678 -4.812 0.905 1.00 25.01 C ATOM 484 OG1 THR A 34 10.407 -5.982 1.217 1.00 25.23 O ATOM 485 CG2 THR A 34 9.476 -4.058 2.219 1.00 43.13 C ATOM 0 H THR A 34 9.147 -5.609 -1.709 1.00 34.13 H new ATOM 0 HA THR A 34 7.668 -5.549 0.864 1.00 31.45 H new ATOM 0 HB THR A 34 10.225 -4.176 0.209 1.00 25.01 H new ATOM 0 HG1 THR A 34 11.228 -5.739 1.694 1.00 25.23 H new ATOM 0 HG21 THR A 34 10.444 -3.877 2.687 1.00 43.13 H new ATOM 0 HG22 THR A 34 8.986 -3.105 2.020 1.00 43.13 H new ATOM 0 HG23 THR A 34 8.855 -4.653 2.888 1.00 43.13 H new ATOM 493 N LEU A 35 6.819 -3.239 0.219 1.00 3.13 N ATOM 494 CA LEU A 35 6.200 -1.973 -0.140 1.00 41.44 C ATOM 495 C LEU A 35 6.328 -0.980 1.002 1.00 4.42 C ATOM 496 O LEU A 35 6.464 -1.361 2.173 1.00 12.14 O ATOM 497 CB LEU A 35 4.724 -2.239 -0.441 1.00 45.41 C ATOM 498 CG LEU A 35 4.537 -2.576 -1.925 1.00 31.33 C ATOM 499 CD1 LEU A 35 3.184 -3.263 -2.072 1.00 51.33 C ATOM 500 CD2 LEU A 35 4.638 -1.301 -2.767 1.00 51.20 C ATOM 0 H LEU A 35 6.445 -3.622 1.087 1.00 3.13 H new ATOM 0 HA LEU A 35 6.695 -1.548 -1.013 1.00 41.44 H new ATOM 0 HB2 LEU A 35 4.363 -3.063 0.175 1.00 45.41 H new ATOM 0 HB3 LEU A 35 4.129 -1.363 -0.182 1.00 45.41 H new ATOM 0 HG LEU A 35 5.317 -3.247 -2.284 1.00 31.33 H new ATOM 0 HD11 LEU A 35 3.017 -3.518 -3.119 1.00 51.33 H new ATOM 0 HD12 LEU A 35 3.170 -4.172 -1.471 1.00 51.33 H new ATOM 0 HD13 LEU A 35 2.396 -2.591 -1.732 1.00 51.33 H new ATOM 0 HD21 LEU A 35 4.504 -1.549 -3.820 1.00 51.20 H new ATOM 0 HD22 LEU A 35 3.864 -0.599 -2.458 1.00 51.20 H new ATOM 0 HD23 LEU A 35 5.618 -0.847 -2.623 1.00 51.20 H new ATOM 511 N SER A 36 6.218 0.300 0.658 1.00 72.01 N ATOM 512 CA SER A 36 6.129 1.376 1.619 1.00 73.40 C ATOM 513 C SER A 36 4.794 1.275 2.355 1.00 44.32 C ATOM 514 O SER A 36 3.776 0.829 1.805 1.00 71.13 O ATOM 515 CB SER A 36 6.289 2.703 0.870 1.00 14.22 C ATOM 516 OG SER A 36 5.238 2.900 -0.040 1.00 64.44 O ATOM 0 H SER A 36 6.188 0.615 -0.312 1.00 72.01 H new ATOM 0 HA SER A 36 6.918 1.314 2.368 1.00 73.40 H new ATOM 0 HB2 SER A 36 6.315 3.526 1.584 1.00 14.22 H new ATOM 0 HB3 SER A 36 7.241 2.712 0.339 1.00 14.22 H new ATOM 0 HG SER A 36 5.363 3.754 -0.504 1.00 64.44 H new ATOM 521 N CYS A 37 4.759 1.734 3.606 1.00 64.33 N ATOM 522 CA CYS A 37 3.481 1.964 4.264 1.00 14.15 C ATOM 523 C CYS A 37 2.757 3.180 3.678 1.00 33.23 C ATOM 524 O CYS A 37 1.533 3.277 3.792 1.00 42.04 O ATOM 525 CB CYS A 37 3.684 2.103 5.772 1.00 11.11 C ATOM 526 SG CYS A 37 4.173 0.467 6.397 1.00 3.33 S ATOM 0 H CYS A 37 5.582 1.948 4.170 1.00 64.33 H new ATOM 0 HA CYS A 37 2.841 1.100 4.083 1.00 14.15 H new ATOM 0 HB2 CYS A 37 4.452 2.845 5.991 1.00 11.11 H new ATOM 0 HB3 CYS A 37 2.767 2.442 6.255 1.00 11.11 H new ATOM 0 HG CYS A 37 3.142 -0.121 6.927 1.00 3.33 H new ATOM 531 N GLU A 38 3.495 4.065 3.020 1.00 62.20 N ATOM 532 CA GLU A 38 3.009 5.272 2.381 1.00 45.20 C ATOM 533 C GLU A 38 2.055 4.873 1.248 1.00 22.23 C ATOM 534 O GLU A 38 0.880 5.242 1.257 1.00 4.21 O ATOM 535 CB GLU A 38 4.224 6.070 1.863 1.00 50.13 C ATOM 536 CG GLU A 38 5.093 6.720 2.959 1.00 32.41 C ATOM 537 CD GLU A 38 5.643 5.705 3.970 1.00 32.35 C ATOM 538 OE1 GLU A 38 6.442 4.829 3.567 1.00 3.52 O ATOM 539 OE2 GLU A 38 5.156 5.699 5.124 1.00 31.44 O ATOM 0 H GLU A 38 4.503 3.950 2.915 1.00 62.20 H new ATOM 0 HA GLU A 38 2.459 5.905 3.077 1.00 45.20 H new ATOM 0 HB2 GLU A 38 4.851 5.404 1.271 1.00 50.13 H new ATOM 0 HB3 GLU A 38 3.867 6.852 1.192 1.00 50.13 H new ATOM 0 HG2 GLU A 38 5.925 7.245 2.491 1.00 32.41 H new ATOM 0 HG3 GLU A 38 4.502 7.467 3.488 1.00 32.41 H new ATOM 544 N LEU A 39 2.530 4.060 0.299 1.00 50.54 N ATOM 545 CA LEU A 39 1.786 3.637 -0.890 1.00 45.34 C ATOM 546 C LEU A 39 0.587 2.761 -0.529 1.00 44.13 C ATOM 547 O LEU A 39 -0.474 2.856 -1.149 1.00 4.12 O ATOM 548 CB LEU A 39 2.753 2.927 -1.839 1.00 45.11 C ATOM 549 CG LEU A 39 2.245 2.789 -3.280 1.00 51.21 C ATOM 550 CD1 LEU A 39 2.287 4.139 -4.004 1.00 42.51 C ATOM 551 CD2 LEU A 39 3.178 1.806 -3.985 1.00 72.12 C ATOM 0 H LEU A 39 3.470 3.667 0.339 1.00 50.54 H new ATOM 0 HA LEU A 39 1.371 4.512 -1.390 1.00 45.34 H new ATOM 0 HB2 LEU A 39 3.697 3.472 -1.851 1.00 45.11 H new ATOM 0 HB3 LEU A 39 2.964 1.933 -1.445 1.00 45.11 H new ATOM 0 HG LEU A 39 1.212 2.440 -3.286 1.00 51.21 H new ATOM 0 HD11 LEU A 39 1.922 4.016 -5.024 1.00 42.51 H new ATOM 0 HD12 LEU A 39 1.656 4.855 -3.477 1.00 42.51 H new ATOM 0 HD13 LEU A 39 3.313 4.508 -4.027 1.00 42.51 H new ATOM 0 HD21 LEU A 39 2.855 1.675 -5.018 1.00 72.12 H new ATOM 0 HD22 LEU A 39 4.196 2.196 -3.970 1.00 72.12 H new ATOM 0 HD23 LEU A 39 3.149 0.845 -3.471 1.00 72.12 H new ATOM 562 N LEU A 40 0.709 1.997 0.560 1.00 31.03 N ATOM 563 CA LEU A 40 -0.379 1.262 1.179 1.00 21.43 C ATOM 564 C LEU A 40 -1.522 2.184 1.606 1.00 70.11 C ATOM 565 O LEU A 40 -2.613 1.684 1.830 1.00 51.31 O ATOM 566 CB LEU A 40 0.162 0.472 2.387 1.00 42.00 C ATOM 567 CG LEU A 40 0.110 -1.064 2.305 1.00 70.43 C ATOM 568 CD1 LEU A 40 0.679 -1.654 1.014 1.00 14.04 C ATOM 569 CD2 LEU A 40 0.949 -1.624 3.460 1.00 63.22 C ATOM 0 H LEU A 40 1.598 1.874 1.044 1.00 31.03 H new ATOM 0 HA LEU A 40 -0.788 0.571 0.442 1.00 21.43 H new ATOM 0 HB2 LEU A 40 1.199 0.767 2.546 1.00 42.00 H new ATOM 0 HB3 LEU A 40 -0.396 0.782 3.270 1.00 42.00 H new ATOM 0 HG LEU A 40 -0.944 -1.337 2.347 1.00 70.43 H new ATOM 0 HD11 LEU A 40 0.601 -2.741 1.045 1.00 14.04 H new ATOM 0 HD12 LEU A 40 0.116 -1.274 0.161 1.00 14.04 H new ATOM 0 HD13 LEU A 40 1.726 -1.369 0.914 1.00 14.04 H new ATOM 0 HD21 LEU A 40 0.931 -2.713 3.428 1.00 63.22 H new ATOM 0 HD22 LEU A 40 1.977 -1.275 3.365 1.00 63.22 H new ATOM 0 HD23 LEU A 40 0.536 -1.282 4.409 1.00 63.22 H new ATOM 580 N ARG A 41 -1.333 3.499 1.746 1.00 32.21 N ATOM 581 CA ARG A 41 -2.425 4.409 2.106 1.00 44.41 C ATOM 582 C ARG A 41 -2.737 5.420 1.005 1.00 62.14 C ATOM 583 O ARG A 41 -3.874 5.878 0.946 1.00 44.32 O ATOM 584 CB ARG A 41 -2.099 5.098 3.445 1.00 12.11 C ATOM 585 CG ARG A 41 -3.301 5.269 4.393 1.00 61.44 C ATOM 586 CD ARG A 41 -4.497 6.001 3.780 1.00 32.43 C ATOM 587 NE ARG A 41 -5.521 6.368 4.769 1.00 33.41 N ATOM 588 CZ ARG A 41 -6.633 7.051 4.470 1.00 54.11 C ATOM 589 NH1 ARG A 41 -6.875 7.448 3.226 1.00 25.22 N ATOM 590 NH2 ARG A 41 -7.506 7.367 5.414 1.00 32.22 N ATOM 0 H ARG A 41 -0.432 3.959 1.615 1.00 32.21 H new ATOM 0 HA ARG A 41 -3.334 3.819 2.224 1.00 44.41 H new ATOM 0 HB2 ARG A 41 -1.330 4.520 3.957 1.00 12.11 H new ATOM 0 HB3 ARG A 41 -1.675 6.080 3.238 1.00 12.11 H new ATOM 0 HG2 ARG A 41 -3.627 4.284 4.727 1.00 61.44 H new ATOM 0 HG3 ARG A 41 -2.974 5.813 5.279 1.00 61.44 H new ATOM 0 HD2 ARG A 41 -4.145 6.903 3.279 1.00 32.43 H new ATOM 0 HD3 ARG A 41 -4.949 5.368 3.016 1.00 32.43 H new ATOM 0 HE ARG A 41 -5.376 6.086 5.738 1.00 33.41 H new ATOM 0 HH11 ARG A 41 -6.209 7.233 2.484 1.00 25.22 H new ATOM 0 HH12 ARG A 41 -7.726 7.968 3.013 1.00 25.22 H new ATOM 0 HH21 ARG A 41 -7.335 7.090 6.381 1.00 32.22 H new ATOM 0 HH22 ARG A 41 -8.350 7.888 5.175 1.00 32.22 H new ATOM 601 N VAL A 42 -1.781 5.819 0.162 1.00 3.14 N ATOM 602 CA VAL A 42 -2.104 6.810 -0.866 1.00 44.44 C ATOM 603 C VAL A 42 -2.833 6.182 -2.049 1.00 5.35 C ATOM 604 O VAL A 42 -3.651 6.854 -2.671 1.00 63.24 O ATOM 605 CB VAL A 42 -0.894 7.672 -1.265 1.00 13.32 C ATOM 606 CG1 VAL A 42 -0.355 8.354 0.000 1.00 23.15 C ATOM 607 CG2 VAL A 42 0.245 6.942 -1.977 1.00 50.30 C ATOM 0 H VAL A 42 -0.816 5.488 0.167 1.00 3.14 H new ATOM 0 HA VAL A 42 -2.809 7.514 -0.423 1.00 44.44 H new ATOM 0 HB VAL A 42 -1.264 8.382 -2.004 1.00 13.32 H new ATOM 0 HG11 VAL A 42 0.505 8.972 -0.258 1.00 23.15 H new ATOM 0 HG12 VAL A 42 -1.134 8.980 0.436 1.00 23.15 H new ATOM 0 HG13 VAL A 42 -0.053 7.595 0.722 1.00 23.15 H new ATOM 0 HG21 VAL A 42 1.041 7.649 -2.209 1.00 50.30 H new ATOM 0 HG22 VAL A 42 0.635 6.156 -1.330 1.00 50.30 H new ATOM 0 HG23 VAL A 42 -0.128 6.499 -2.901 1.00 50.30 H new ATOM 617 N TYR A 43 -2.621 4.890 -2.298 1.00 54.11 N ATOM 618 CA TYR A 43 -3.172 4.184 -3.444 1.00 22.43 C ATOM 619 C TYR A 43 -4.093 3.089 -2.906 1.00 61.22 C ATOM 620 O TYR A 43 -3.839 1.894 -3.101 1.00 33.04 O ATOM 621 CB TYR A 43 -1.994 3.672 -4.291 1.00 73.01 C ATOM 622 CG TYR A 43 -2.250 3.513 -5.780 1.00 3.24 C ATOM 623 CD1 TYR A 43 -3.431 2.930 -6.286 1.00 3.54 C ATOM 624 CD2 TYR A 43 -1.245 3.926 -6.670 1.00 64.23 C ATOM 625 CE1 TYR A 43 -3.602 2.770 -7.673 1.00 3.24 C ATOM 626 CE2 TYR A 43 -1.411 3.795 -8.056 1.00 34.22 C ATOM 627 CZ TYR A 43 -2.593 3.207 -8.562 1.00 1.54 C ATOM 628 OH TYR A 43 -2.746 3.054 -9.905 1.00 1.12 O ATOM 0 H TYR A 43 -2.050 4.298 -1.695 1.00 54.11 H new ATOM 0 HA TYR A 43 -3.775 4.811 -4.100 1.00 22.43 H new ATOM 0 HB2 TYR A 43 -1.156 4.357 -4.160 1.00 73.01 H new ATOM 0 HB3 TYR A 43 -1.682 2.706 -3.893 1.00 73.01 H new ATOM 0 HD1 TYR A 43 -4.206 2.606 -5.607 1.00 3.54 H new ATOM 0 HD2 TYR A 43 -0.331 4.351 -6.281 1.00 64.23 H new ATOM 0 HE1 TYR A 43 -4.502 2.314 -8.058 1.00 3.24 H new ATOM 0 HE2 TYR A 43 -0.642 4.140 -8.731 1.00 34.22 H new ATOM 0 HH TYR A 43 -1.958 3.410 -10.367 1.00 1.12 H new ATOM 637 N SER A 44 -5.119 3.460 -2.131 1.00 71.20 N ATOM 638 CA SER A 44 -6.028 2.450 -1.619 1.00 51.43 C ATOM 639 C SER A 44 -6.805 1.855 -2.806 1.00 2.15 C ATOM 640 O SER A 44 -7.233 2.589 -3.696 1.00 1.33 O ATOM 641 CB SER A 44 -6.992 3.069 -0.603 1.00 32.35 C ATOM 642 OG SER A 44 -6.324 3.551 0.552 1.00 73.23 O ATOM 0 H SER A 44 -5.330 4.420 -1.857 1.00 71.20 H new ATOM 0 HA SER A 44 -5.468 1.665 -1.112 1.00 51.43 H new ATOM 0 HB2 SER A 44 -7.535 3.888 -1.074 1.00 32.35 H new ATOM 0 HB3 SER A 44 -7.732 2.325 -0.308 1.00 32.35 H new ATOM 0 HG SER A 44 -6.978 3.938 1.171 1.00 73.23 H new ATOM 647 N PRO A 45 -7.110 0.550 -2.794 1.00 24.43 N ATOM 648 CA PRO A 45 -7.906 -0.076 -3.843 1.00 72.52 C ATOM 649 C PRO A 45 -9.347 0.438 -3.862 1.00 74.24 C ATOM 650 O PRO A 45 -9.976 0.454 -4.914 1.00 61.12 O ATOM 651 CB PRO A 45 -7.841 -1.578 -3.567 1.00 4.31 C ATOM 652 CG PRO A 45 -7.467 -1.667 -2.090 1.00 22.52 C ATOM 653 CD PRO A 45 -6.640 -0.421 -1.828 1.00 51.01 C ATOM 0 HA PRO A 45 -7.513 0.166 -4.830 1.00 72.52 H new ATOM 0 HB2 PRO A 45 -8.797 -2.062 -3.766 1.00 4.31 H new ATOM 0 HB3 PRO A 45 -7.098 -2.068 -4.197 1.00 4.31 H new ATOM 0 HG2 PRO A 45 -8.354 -1.694 -1.457 1.00 22.52 H new ATOM 0 HG3 PRO A 45 -6.898 -2.572 -1.879 1.00 22.52 H new ATOM 0 HD2 PRO A 45 -6.779 -0.062 -0.808 1.00 51.01 H new ATOM 0 HD3 PRO A 45 -5.576 -0.620 -1.954 1.00 51.01 H new ATOM 658 N SER A 46 -9.865 0.901 -2.722 1.00 31.12 N ATOM 659 CA SER A 46 -11.206 1.453 -2.571 1.00 54.14 C ATOM 660 C SER A 46 -11.345 2.879 -3.138 1.00 22.15 C ATOM 661 O SER A 46 -12.293 3.584 -2.784 1.00 12.45 O ATOM 662 CB SER A 46 -11.572 1.370 -1.087 1.00 25.55 C ATOM 663 OG SER A 46 -10.580 1.969 -0.262 1.00 21.42 O ATOM 0 H SER A 46 -9.339 0.900 -1.848 1.00 31.12 H new ATOM 0 HA SER A 46 -11.909 0.867 -3.163 1.00 54.14 H new ATOM 0 HB2 SER A 46 -12.529 1.864 -0.921 1.00 25.55 H new ATOM 0 HB3 SER A 46 -11.699 0.326 -0.802 1.00 25.55 H new ATOM 0 HG SER A 46 -10.849 1.898 0.678 1.00 21.42 H new ATOM 777 N VAL A 56 -8.659 9.492 -6.694 1.00 12.44 N ATOM 778 CA VAL A 56 -8.441 10.783 -6.053 1.00 5.34 C ATOM 779 C VAL A 56 -6.937 11.070 -5.967 1.00 31.15 C ATOM 780 O VAL A 56 -6.113 10.158 -6.098 1.00 1.54 O ATOM 781 CB VAL A 56 -9.222 10.852 -4.730 1.00 3.33 C ATOM 782 CG1 VAL A 56 -8.570 9.965 -3.685 1.00 62.51 C ATOM 783 CG2 VAL A 56 -9.368 12.279 -4.182 1.00 3.04 C ATOM 0 HA VAL A 56 -8.846 11.601 -6.649 1.00 5.34 H new ATOM 0 HB VAL A 56 -10.227 10.494 -4.951 1.00 3.33 H new ATOM 0 HG11 VAL A 56 -9.134 10.024 -2.754 1.00 62.51 H new ATOM 0 HG12 VAL A 56 -8.560 8.934 -4.038 1.00 62.51 H new ATOM 0 HG13 VAL A 56 -7.547 10.299 -3.511 1.00 62.51 H new ATOM 0 HG21 VAL A 56 -9.929 12.254 -3.248 1.00 3.04 H new ATOM 0 HG22 VAL A 56 -8.380 12.702 -4.001 1.00 3.04 H new ATOM 0 HG23 VAL A 56 -9.899 12.895 -4.908 1.00 3.04 H new ATOM 793 N LEU A 57 -6.572 12.334 -5.732 1.00 51.34 N ATOM 794 CA LEU A 57 -5.211 12.721 -5.389 1.00 61.41 C ATOM 795 C LEU A 57 -5.040 12.624 -3.875 1.00 71.12 C ATOM 796 O LEU A 57 -5.766 13.275 -3.116 1.00 44.41 O ATOM 797 CB LEU A 57 -4.911 14.157 -5.852 1.00 53.10 C ATOM 798 CG LEU A 57 -3.431 14.527 -5.612 1.00 31.34 C ATOM 799 CD1 LEU A 57 -2.528 13.874 -6.660 1.00 32.44 C ATOM 800 CD2 LEU A 57 -3.227 16.040 -5.632 1.00 22.33 C ATOM 0 H LEU A 57 -7.222 13.119 -5.776 1.00 51.34 H new ATOM 0 HA LEU A 57 -4.515 12.051 -5.894 1.00 61.41 H new ATOM 0 HB2 LEU A 57 -5.145 14.256 -6.912 1.00 53.10 H new ATOM 0 HB3 LEU A 57 -5.554 14.856 -5.317 1.00 53.10 H new ATOM 0 HG LEU A 57 -3.160 14.152 -4.625 1.00 31.34 H new ATOM 0 HD11 LEU A 57 -1.491 14.150 -6.469 1.00 32.44 H new ATOM 0 HD12 LEU A 57 -2.631 12.790 -6.605 1.00 32.44 H new ATOM 0 HD13 LEU A 57 -2.818 14.216 -7.654 1.00 32.44 H new ATOM 0 HD21 LEU A 57 -2.175 16.268 -5.460 1.00 22.33 H new ATOM 0 HD22 LEU A 57 -3.530 16.435 -6.602 1.00 22.33 H new ATOM 0 HD23 LEU A 57 -3.830 16.499 -4.849 1.00 22.33 H new ATOM 811 N VAL A 58 -4.029 11.883 -3.436 1.00 11.11 N ATOM 812 CA VAL A 58 -3.598 11.860 -2.047 1.00 44.50 C ATOM 813 C VAL A 58 -2.218 12.517 -1.987 1.00 72.24 C ATOM 814 O VAL A 58 -1.446 12.464 -2.949 1.00 12.25 O ATOM 815 CB VAL A 58 -3.629 10.422 -1.501 1.00 13.21 C ATOM 816 CG1 VAL A 58 -3.436 10.391 0.023 1.00 45.12 C ATOM 817 CG2 VAL A 58 -4.971 9.750 -1.797 1.00 14.53 C ATOM 0 H VAL A 58 -3.480 11.275 -4.044 1.00 11.11 H new ATOM 0 HA VAL A 58 -4.272 12.423 -1.402 1.00 44.50 H new ATOM 0 HB VAL A 58 -2.814 9.893 -1.995 1.00 13.21 H new ATOM 0 HG11 VAL A 58 -3.464 9.359 0.372 1.00 45.12 H new ATOM 0 HG12 VAL A 58 -2.473 10.834 0.277 1.00 45.12 H new ATOM 0 HG13 VAL A 58 -4.234 10.958 0.502 1.00 45.12 H new ATOM 0 HG21 VAL A 58 -4.965 8.735 -1.400 1.00 14.53 H new ATOM 0 HG22 VAL A 58 -5.774 10.318 -1.328 1.00 14.53 H new ATOM 0 HG23 VAL A 58 -5.132 9.717 -2.875 1.00 14.53 H new ATOM 827 N THR A 59 -1.945 13.194 -0.877 1.00 32.42 N ATOM 828 CA THR A 59 -0.684 13.837 -0.527 1.00 31.24 C ATOM 829 C THR A 59 0.329 12.760 -0.116 1.00 1.21 C ATOM 830 O THR A 59 0.171 11.592 -0.481 1.00 52.50 O ATOM 831 CB THR A 59 -0.936 14.938 0.525 1.00 74.14 C ATOM 832 OG1 THR A 59 -1.527 14.495 1.728 1.00 1.13 O ATOM 833 CG2 THR A 59 -1.856 16.001 -0.082 1.00 45.53 C ATOM 0 H THR A 59 -2.648 13.316 -0.148 1.00 32.42 H new ATOM 0 HA THR A 59 -0.242 14.353 -1.379 1.00 31.24 H new ATOM 0 HB THR A 59 0.051 15.322 0.785 1.00 74.14 H new ATOM 0 HG1 THR A 59 -1.107 14.951 2.486 1.00 1.13 H new ATOM 0 HG21 THR A 59 -2.041 16.785 0.653 1.00 45.53 H new ATOM 0 HG22 THR A 59 -1.381 16.434 -0.962 1.00 45.53 H new ATOM 0 HG23 THR A 59 -2.802 15.542 -0.369 1.00 45.53 H new ATOM 841 N HIS A 60 1.424 13.146 0.544 1.00 5.34 N ATOM 842 CA HIS A 60 2.324 12.197 1.192 1.00 64.30 C ATOM 843 C HIS A 60 1.610 11.470 2.372 1.00 14.32 C ATOM 844 O HIS A 60 0.393 11.578 2.569 1.00 72.44 O ATOM 845 CB HIS A 60 3.634 12.904 1.607 1.00 22.34 C ATOM 846 CG HIS A 60 4.373 13.711 0.575 1.00 70.40 C ATOM 847 ND1 HIS A 60 5.288 14.695 0.871 1.00 64.40 N ATOM 848 CD2 HIS A 60 4.296 13.608 -0.783 1.00 22.35 C ATOM 849 CE1 HIS A 60 5.773 15.166 -0.290 1.00 62.20 C ATOM 850 NE2 HIS A 60 5.180 14.551 -1.323 1.00 63.04 N ATOM 0 H HIS A 60 1.708 14.121 0.642 1.00 5.34 H new ATOM 0 HA HIS A 60 2.600 11.416 0.484 1.00 64.30 H new ATOM 0 HB2 HIS A 60 3.403 13.566 2.442 1.00 22.34 H new ATOM 0 HB3 HIS A 60 4.317 12.142 1.983 1.00 22.34 H new ATOM 0 HD1 HIS A 60 5.551 15.010 1.805 1.00 64.40 H new ATOM 0 HD2 HIS A 60 3.670 12.926 -1.339 1.00 22.35 H new ATOM 0 HE1 HIS A 60 6.531 15.930 -0.378 1.00 62.20 H new ATOM 857 N LYS A 61 2.368 10.787 3.229 1.00 70.14 N ATOM 858 CA LYS A 61 2.003 10.238 4.535 1.00 30.45 C ATOM 859 C LYS A 61 3.230 10.446 5.435 1.00 64.10 C ATOM 860 O LYS A 61 4.283 10.837 4.930 1.00 65.10 O ATOM 861 CB LYS A 61 1.715 8.741 4.350 1.00 41.23 C ATOM 862 CG LYS A 61 0.349 8.398 3.739 1.00 54.02 C ATOM 863 CD LYS A 61 -0.855 8.672 4.659 1.00 65.32 C ATOM 864 CE LYS A 61 -1.702 9.868 4.207 1.00 64.42 C ATOM 865 NZ LYS A 61 -3.112 9.728 4.645 1.00 45.02 N ATOM 0 H LYS A 61 3.343 10.585 3.006 1.00 70.14 H new ATOM 0 HA LYS A 61 1.124 10.712 4.971 1.00 30.45 H new ATOM 0 HB2 LYS A 61 2.493 8.315 3.717 1.00 41.23 H new ATOM 0 HB3 LYS A 61 1.791 8.252 5.321 1.00 41.23 H new ATOM 0 HG2 LYS A 61 0.224 8.970 2.820 1.00 54.02 H new ATOM 0 HG3 LYS A 61 0.345 7.344 3.462 1.00 54.02 H new ATOM 0 HD2 LYS A 61 -1.485 7.783 4.697 1.00 65.32 H new ATOM 0 HD3 LYS A 61 -0.496 8.852 5.672 1.00 65.32 H new ATOM 0 HE2 LYS A 61 -1.282 10.788 4.614 1.00 64.42 H new ATOM 0 HE3 LYS A 61 -1.663 9.954 3.121 1.00 64.42 H new ATOM 0 HZ1 LYS A 61 -3.659 10.552 4.324 1.00 45.02 H new ATOM 0 HZ2 LYS A 61 -3.518 8.862 4.236 1.00 45.02 H new ATOM 0 HZ3 LYS A 61 -3.149 9.671 5.683 1.00 45.02 H new ATOM 875 N LYS A 62 3.059 10.296 6.754 1.00 34.13 N ATOM 876 CA LYS A 62 3.853 10.930 7.763 1.00 5.25 C ATOM 877 C LYS A 62 4.561 9.838 8.568 1.00 65.54 C ATOM 878 O LYS A 62 5.676 9.468 8.218 1.00 14.05 O ATOM 879 CB LYS A 62 2.909 11.848 8.572 1.00 62.32 C ATOM 880 CG LYS A 62 1.788 12.596 7.820 1.00 24.15 C ATOM 881 CD LYS A 62 0.420 12.564 8.446 1.00 51.23 C ATOM 882 CE LYS A 62 -0.639 12.892 7.394 1.00 30.13 C ATOM 883 NZ LYS A 62 -2.001 12.905 7.960 1.00 53.34 N ATOM 0 H LYS A 62 2.328 9.701 7.143 1.00 34.13 H new ATOM 0 HA LYS A 62 4.648 11.566 7.373 1.00 5.25 H new ATOM 0 HB2 LYS A 62 2.441 11.242 9.347 1.00 62.32 H new ATOM 0 HB3 LYS A 62 3.524 12.593 9.078 1.00 62.32 H new ATOM 0 HG2 LYS A 62 2.088 13.638 7.710 1.00 24.15 H new ATOM 0 HG3 LYS A 62 1.713 12.178 6.816 1.00 24.15 H new ATOM 0 HD2 LYS A 62 0.229 11.580 8.873 1.00 51.23 H new ATOM 0 HD3 LYS A 62 0.368 13.282 9.264 1.00 51.23 H new ATOM 0 HE2 LYS A 62 -0.421 13.865 6.953 1.00 30.13 H new ATOM 0 HE3 LYS A 62 -0.589 12.159 6.589 1.00 30.13 H new ATOM 0 HZ1 LYS A 62 -2.686 13.132 7.211 1.00 53.34 H new ATOM 0 HZ2 LYS A 62 -2.220 11.970 8.358 1.00 53.34 H new ATOM 0 HZ3 LYS A 62 -2.058 13.623 8.710 1.00 53.34 H new ATOM 893 N ASN A 63 3.904 9.253 9.575 1.00 61.24 N ATOM 894 CA ASN A 63 4.372 8.069 10.288 1.00 44.33 C ATOM 895 C ASN A 63 3.175 7.141 10.461 1.00 23.24 C ATOM 896 O ASN A 63 2.644 6.987 11.562 1.00 54.33 O ATOM 897 CB ASN A 63 5.020 8.448 11.632 1.00 10.33 C ATOM 898 CG ASN A 63 6.468 8.882 11.470 1.00 72.31 C ATOM 899 OD1 ASN A 63 7.367 8.049 11.540 1.00 41.00 O ATOM 900 ND2 ASN A 63 6.735 10.151 11.232 1.00 24.15 N ATOM 0 H ASN A 63 3.010 9.602 9.922 1.00 61.24 H new ATOM 0 HA ASN A 63 5.151 7.559 9.722 1.00 44.33 H new ATOM 0 HB2 ASN A 63 4.450 9.255 12.093 1.00 10.33 H new ATOM 0 HB3 ASN A 63 4.972 7.596 12.310 1.00 10.33 H new ATOM 0 HD21 ASN A 63 7.701 10.453 11.103 1.00 24.15 H new ATOM 0 HD22 ASN A 63 5.976 10.830 11.177 1.00 24.15 H new ATOM 906 N VAL A 64 2.703 6.539 9.367 1.00 1.31 N ATOM 907 CA VAL A 64 1.571 5.618 9.403 1.00 1.13 C ATOM 908 C VAL A 64 2.089 4.270 9.874 1.00 23.41 C ATOM 909 O VAL A 64 2.455 3.381 9.097 1.00 72.50 O ATOM 910 CB VAL A 64 0.861 5.468 8.058 1.00 73.43 C ATOM 911 CG1 VAL A 64 -0.510 4.825 8.292 1.00 63.34 C ATOM 912 CG2 VAL A 64 0.682 6.791 7.322 1.00 32.24 C ATOM 0 H VAL A 64 3.095 6.677 8.436 1.00 1.31 H new ATOM 0 HA VAL A 64 0.824 6.025 10.085 1.00 1.13 H new ATOM 0 HB VAL A 64 1.490 4.841 7.426 1.00 73.43 H new ATOM 0 HG11 VAL A 64 -1.027 4.713 7.339 1.00 63.34 H new ATOM 0 HG12 VAL A 64 -0.379 3.845 8.751 1.00 63.34 H new ATOM 0 HG13 VAL A 64 -1.101 5.459 8.953 1.00 63.34 H new ATOM 0 HG21 VAL A 64 0.172 6.614 6.375 1.00 32.24 H new ATOM 0 HG22 VAL A 64 0.088 7.470 7.933 1.00 32.24 H new ATOM 0 HG23 VAL A 64 1.659 7.236 7.130 1.00 32.24 H new ATOM 922 N ASN A 65 2.161 4.130 11.183 1.00 43.04 N ATOM 923 CA ASN A 65 2.523 2.861 11.771 1.00 3.25 C ATOM 924 C ASN A 65 1.324 1.915 11.626 1.00 62.12 C ATOM 925 O ASN A 65 0.178 2.356 11.704 1.00 23.15 O ATOM 926 CB ASN A 65 2.930 3.021 13.244 1.00 42.32 C ATOM 927 CG ASN A 65 4.292 3.682 13.458 1.00 51.22 C ATOM 928 OD1 ASN A 65 5.315 3.310 12.701 1.00 33.12 O flip ATOM 929 ND2 ASN A 65 4.457 4.508 14.344 1.00 44.00 N flip ATOM 0 H ASN A 65 1.975 4.876 11.854 1.00 43.04 H new ATOM 0 HA ASN A 65 3.390 2.448 11.255 1.00 3.25 H new ATOM 0 HB2 ASN A 65 2.170 3.611 13.756 1.00 42.32 H new ATOM 0 HB3 ASN A 65 2.940 2.038 13.714 1.00 42.32 H new ATOM 0 HD21 ASN A 65 3.671 4.795 14.927 1.00 44.00 H new ATOM 0 HD22 ASN A 65 5.381 4.910 14.500 1.00 44.00 H new ATOM 935 N ILE A 66 1.576 0.617 11.445 1.00 25.34 N ATOM 936 CA ILE A 66 0.530 -0.406 11.419 1.00 5.23 C ATOM 937 C ILE A 66 0.450 -1.009 12.813 1.00 25.52 C ATOM 938 O ILE A 66 1.480 -1.233 13.463 1.00 11.41 O ATOM 939 CB ILE A 66 0.804 -1.465 10.320 1.00 11.41 C ATOM 940 CG1 ILE A 66 0.466 -0.824 8.956 1.00 73.52 C ATOM 941 CG2 ILE A 66 0.024 -2.782 10.517 1.00 54.14 C ATOM 942 CD1 ILE A 66 0.640 -1.750 7.751 1.00 73.43 C ATOM 0 H ILE A 66 2.516 0.245 11.312 1.00 25.34 H new ATOM 0 HA ILE A 66 -0.434 0.031 11.160 1.00 5.23 H new ATOM 0 HB ILE A 66 1.855 -1.750 10.374 1.00 11.41 H new ATOM 0 HG12 ILE A 66 -0.566 -0.473 8.981 1.00 73.52 H new ATOM 0 HG13 ILE A 66 1.097 0.053 8.816 1.00 73.52 H new ATOM 0 HG21 ILE A 66 0.267 -3.473 9.710 1.00 54.14 H new ATOM 0 HG22 ILE A 66 0.299 -3.229 11.472 1.00 54.14 H new ATOM 0 HG23 ILE A 66 -1.046 -2.576 10.508 1.00 54.14 H new ATOM 0 HD11 ILE A 66 0.380 -1.213 6.839 1.00 73.43 H new ATOM 0 HD12 ILE A 66 1.677 -2.081 7.694 1.00 73.43 H new ATOM 0 HD13 ILE A 66 -0.012 -2.616 7.861 1.00 73.43 H new ATOM 953 N ASN A 67 -0.767 -1.333 13.238 1.00 64.31 N ATOM 954 CA ASN A 67 -1.032 -1.996 14.508 1.00 52.01 C ATOM 955 C ASN A 67 -1.098 -3.515 14.336 1.00 70.52 C ATOM 956 O ASN A 67 -0.539 -4.257 15.155 1.00 74.33 O ATOM 957 CB ASN A 67 -2.338 -1.434 15.106 1.00 12.12 C ATOM 958 CG ASN A 67 -2.097 -0.552 16.325 1.00 62.10 C ATOM 959 OD1 ASN A 67 -1.173 -0.772 17.110 1.00 11.35 O ATOM 960 ND2 ASN A 67 -2.849 0.519 16.439 1.00 5.15 N ATOM 0 H ASN A 67 -1.611 -1.138 12.699 1.00 64.31 H new ATOM 0 HA ASN A 67 -0.213 -1.795 15.198 1.00 52.01 H new ATOM 0 HB2 ASN A 67 -2.863 -0.858 14.344 1.00 12.12 H new ATOM 0 HB3 ASN A 67 -2.990 -2.262 15.385 1.00 12.12 H new ATOM 0 HD21 ASN A 67 -2.673 1.188 17.188 1.00 5.15 H new ATOM 0 HD22 ASN A 67 -3.609 0.681 15.778 1.00 5.15 H new ATOM 966 N ALA A 68 -1.779 -3.998 13.293 1.00 14.34 N ATOM 967 CA ALA A 68 -2.131 -5.399 13.094 1.00 52.12 C ATOM 968 C ALA A 68 -2.552 -5.623 11.639 1.00 21.24 C ATOM 969 O ALA A 68 -2.689 -4.673 10.866 1.00 1.13 O ATOM 970 CB ALA A 68 -3.279 -5.788 14.043 1.00 63.34 C ATOM 0 H ALA A 68 -2.111 -3.398 12.538 1.00 14.34 H new ATOM 0 HA ALA A 68 -1.265 -6.023 13.313 1.00 52.12 H new ATOM 0 HB1 ALA A 68 -3.538 -6.836 13.890 1.00 63.34 H new ATOM 0 HB2 ALA A 68 -2.964 -5.639 15.076 1.00 63.34 H new ATOM 0 HB3 ALA A 68 -4.149 -5.165 13.836 1.00 63.34 H new ATOM 976 N ILE A 69 -2.772 -6.890 11.293 1.00 2.45 N ATOM 977 CA ILE A 69 -3.213 -7.368 9.994 1.00 11.11 C ATOM 978 C ILE A 69 -4.276 -8.421 10.296 1.00 11.44 C ATOM 979 O ILE A 69 -3.986 -9.380 11.015 1.00 50.22 O ATOM 980 CB ILE A 69 -2.020 -7.974 9.219 1.00 21.43 C ATOM 981 CG1 ILE A 69 -0.901 -6.921 9.013 1.00 70.53 C ATOM 982 CG2 ILE A 69 -2.460 -8.560 7.868 1.00 52.01 C ATOM 983 CD1 ILE A 69 0.322 -7.426 8.240 1.00 41.31 C ATOM 0 H ILE A 69 -2.637 -7.653 11.956 1.00 2.45 H new ATOM 0 HA ILE A 69 -3.614 -6.571 9.368 1.00 11.11 H new ATOM 0 HB ILE A 69 -1.623 -8.790 9.823 1.00 21.43 H new ATOM 0 HG12 ILE A 69 -1.320 -6.065 8.484 1.00 70.53 H new ATOM 0 HG13 ILE A 69 -0.574 -6.563 9.989 1.00 70.53 H new ATOM 0 HG21 ILE A 69 -1.594 -8.976 7.353 1.00 52.01 H new ATOM 0 HG22 ILE A 69 -3.196 -9.347 8.035 1.00 52.01 H new ATOM 0 HG23 ILE A 69 -2.902 -7.773 7.257 1.00 52.01 H new ATOM 0 HD11 ILE A 69 1.051 -6.621 8.145 1.00 41.31 H new ATOM 0 HD12 ILE A 69 0.772 -8.261 8.776 1.00 41.31 H new ATOM 0 HD13 ILE A 69 0.015 -7.756 7.248 1.00 41.31 H new ATOM 994 N THR A 70 -5.487 -8.268 9.766 1.00 51.01 N ATOM 995 CA THR A 70 -6.520 -9.290 9.864 1.00 51.24 C ATOM 996 C THR A 70 -6.821 -9.819 8.466 1.00 21.11 C ATOM 997 O THR A 70 -7.251 -9.053 7.613 1.00 74.14 O ATOM 998 CB THR A 70 -7.767 -8.718 10.563 1.00 12.11 C ATOM 999 OG1 THR A 70 -7.451 -8.522 11.926 1.00 25.43 O ATOM 1000 CG2 THR A 70 -8.968 -9.648 10.487 1.00 13.42 C ATOM 0 H THR A 70 -5.777 -7.433 9.258 1.00 51.01 H new ATOM 0 HA THR A 70 -6.177 -10.126 10.474 1.00 51.24 H new ATOM 0 HB THR A 70 -8.035 -7.791 10.057 1.00 12.11 H new ATOM 0 HG1 THR A 70 -8.231 -8.156 12.393 1.00 25.43 H new ATOM 0 HG21 THR A 70 -9.816 -9.190 10.997 1.00 13.42 H new ATOM 0 HG22 THR A 70 -9.225 -9.825 9.443 1.00 13.42 H new ATOM 0 HG23 THR A 70 -8.725 -10.596 10.967 1.00 13.42 H new ATOM 1008 N PRO A 71 -6.613 -11.109 8.197 1.00 72.21 N ATOM 1009 CA PRO A 71 -7.026 -11.695 6.936 1.00 11.24 C ATOM 1010 C PRO A 71 -8.554 -11.751 6.848 1.00 72.13 C ATOM 1011 O PRO A 71 -9.257 -11.837 7.861 1.00 43.34 O ATOM 1012 CB PRO A 71 -6.356 -13.063 6.912 1.00 64.53 C ATOM 1013 CG PRO A 71 -6.245 -13.437 8.393 1.00 30.32 C ATOM 1014 CD PRO A 71 -6.072 -12.110 9.098 1.00 3.20 C ATOM 0 HA PRO A 71 -6.727 -11.114 6.064 1.00 11.24 H new ATOM 0 HB2 PRO A 71 -6.950 -13.790 6.358 1.00 64.53 H new ATOM 0 HB3 PRO A 71 -5.377 -13.021 6.435 1.00 64.53 H new ATOM 0 HG2 PRO A 71 -7.137 -13.959 8.740 1.00 30.32 H new ATOM 0 HG3 PRO A 71 -5.398 -14.098 8.575 1.00 30.32 H new ATOM 0 HD2 PRO A 71 -6.599 -12.103 10.052 1.00 3.20 H new ATOM 0 HD3 PRO A 71 -5.021 -11.916 9.313 1.00 3.20 H new ATOM 1019 N VAL A 72 -9.066 -11.700 5.621 1.00 1.14 N ATOM 1020 CA VAL A 72 -10.483 -11.722 5.301 1.00 73.20 C ATOM 1021 C VAL A 72 -10.633 -12.646 4.106 1.00 23.52 C ATOM 1022 O VAL A 72 -9.876 -12.552 3.134 1.00 4.10 O ATOM 1023 CB VAL A 72 -11.013 -10.306 4.988 1.00 44.01 C ATOM 1024 CG1 VAL A 72 -12.547 -10.303 4.897 1.00 4.23 C ATOM 1025 CG2 VAL A 72 -10.611 -9.268 6.045 1.00 62.12 C ATOM 0 H VAL A 72 -8.477 -11.640 4.791 1.00 1.14 H new ATOM 0 HA VAL A 72 -11.070 -12.078 6.148 1.00 73.20 H new ATOM 0 HB VAL A 72 -10.562 -10.032 4.034 1.00 44.01 H new ATOM 0 HG11 VAL A 72 -12.896 -9.294 4.676 1.00 4.23 H new ATOM 0 HG12 VAL A 72 -12.866 -10.980 4.104 1.00 4.23 H new ATOM 0 HG13 VAL A 72 -12.968 -10.633 5.847 1.00 4.23 H new ATOM 0 HG21 VAL A 72 -11.013 -8.293 5.769 1.00 62.12 H new ATOM 0 HG22 VAL A 72 -11.010 -9.564 7.015 1.00 62.12 H new ATOM 0 HG23 VAL A 72 -9.524 -9.209 6.102 1.00 62.12 H new ATOM 1035 N GLY A 73 -11.577 -13.582 4.190 1.00 25.51 N ATOM 1036 CA GLY A 73 -11.887 -14.477 3.092 1.00 25.50 C ATOM 1037 C GLY A 73 -10.748 -15.420 2.719 1.00 50.22 C ATOM 1038 O GLY A 73 -10.862 -16.104 1.710 1.00 33.40 O ATOM 0 H GLY A 73 -12.145 -13.736 5.023 1.00 25.51 H new ATOM 0 HA2 GLY A 73 -12.763 -15.069 3.356 1.00 25.50 H new ATOM 0 HA3 GLY A 73 -12.155 -13.884 2.218 1.00 25.50 H new ATOM 1042 N ASN A 74 -9.651 -15.475 3.483 1.00 50.01 N ATOM 1043 CA ASN A 74 -8.375 -16.109 3.126 1.00 21.41 C ATOM 1044 C ASN A 74 -7.678 -15.438 1.934 1.00 21.10 C ATOM 1045 O ASN A 74 -6.566 -15.833 1.590 1.00 25.34 O ATOM 1046 CB ASN A 74 -8.510 -17.622 2.850 1.00 72.34 C ATOM 1047 CG ASN A 74 -9.532 -18.377 3.689 1.00 62.45 C ATOM 1048 OD1 ASN A 74 -10.327 -19.143 3.146 1.00 30.42 O ATOM 1049 ND2 ASN A 74 -9.527 -18.235 5.004 1.00 5.34 N ATOM 0 H ASN A 74 -9.627 -15.058 4.414 1.00 50.01 H new ATOM 0 HA ASN A 74 -7.752 -15.971 4.010 1.00 21.41 H new ATOM 0 HB2 ASN A 74 -8.766 -17.756 1.799 1.00 72.34 H new ATOM 0 HB3 ASN A 74 -7.535 -18.085 3.002 1.00 72.34 H new ATOM 0 HD21 ASN A 74 -10.186 -18.763 5.576 1.00 5.34 H new ATOM 0 HD22 ASN A 74 -8.864 -17.598 5.446 1.00 5.34 H new ATOM 1055 N TYR A 75 -8.292 -14.431 1.304 1.00 52.41 N ATOM 1056 CA TYR A 75 -7.863 -13.884 0.023 1.00 14.30 C ATOM 1057 C TYR A 75 -7.533 -12.392 0.082 1.00 54.13 C ATOM 1058 O TYR A 75 -7.168 -11.808 -0.937 1.00 23.13 O ATOM 1059 CB TYR A 75 -8.869 -14.237 -1.087 1.00 32.30 C ATOM 1060 CG TYR A 75 -10.354 -14.068 -0.802 1.00 74.23 C ATOM 1061 CD1 TYR A 75 -10.879 -12.864 -0.287 1.00 24.52 C ATOM 1062 CD2 TYR A 75 -11.223 -15.141 -1.086 1.00 34.11 C ATOM 1063 CE1 TYR A 75 -12.261 -12.734 -0.061 1.00 31.42 C ATOM 1064 CE2 TYR A 75 -12.601 -15.025 -0.853 1.00 53.12 C ATOM 1065 CZ TYR A 75 -13.120 -13.819 -0.343 1.00 1.43 C ATOM 1066 OH TYR A 75 -14.448 -13.727 -0.102 1.00 12.14 O ATOM 0 H TYR A 75 -9.118 -13.967 1.683 1.00 52.41 H new ATOM 0 HA TYR A 75 -6.917 -14.363 -0.231 1.00 14.30 H new ATOM 0 HB2 TYR A 75 -8.628 -13.629 -1.959 1.00 32.30 H new ATOM 0 HB3 TYR A 75 -8.702 -15.277 -1.368 1.00 32.30 H new ATOM 0 HD1 TYR A 75 -10.217 -12.040 -0.066 1.00 24.52 H new ATOM 0 HD2 TYR A 75 -10.824 -16.061 -1.487 1.00 34.11 H new ATOM 0 HE1 TYR A 75 -12.663 -11.809 0.326 1.00 31.42 H new ATOM 0 HE2 TYR A 75 -13.260 -15.855 -1.063 1.00 53.12 H new ATOM 0 HH TYR A 75 -14.886 -14.566 -0.356 1.00 12.14 H new ATOM 1075 N ALA A 76 -7.639 -11.747 1.241 1.00 34.21 N ATOM 1076 CA ALA A 76 -7.295 -10.345 1.418 1.00 42.13 C ATOM 1077 C ALA A 76 -6.844 -10.112 2.858 1.00 43.32 C ATOM 1078 O ALA A 76 -7.049 -10.983 3.707 1.00 30.44 O ATOM 1079 CB ALA A 76 -8.544 -9.521 1.102 1.00 42.02 C ATOM 0 H ALA A 76 -7.972 -12.194 2.095 1.00 34.21 H new ATOM 0 HA ALA A 76 -6.480 -10.052 0.757 1.00 42.13 H new ATOM 0 HB1 ALA A 76 -8.321 -8.461 1.225 1.00 42.02 H new ATOM 0 HB2 ALA A 76 -8.854 -9.710 0.074 1.00 42.02 H new ATOM 0 HB3 ALA A 76 -9.348 -9.804 1.781 1.00 42.02 H new ATOM 1085 N VAL A 77 -6.307 -8.927 3.159 1.00 50.34 N ATOM 1086 CA VAL A 77 -6.069 -8.478 4.528 1.00 62.24 C ATOM 1087 C VAL A 77 -6.645 -7.092 4.739 1.00 31.35 C ATOM 1088 O VAL A 77 -6.502 -6.198 3.911 1.00 45.24 O ATOM 1089 CB VAL A 77 -4.583 -8.533 4.939 1.00 11.33 C ATOM 1090 CG1 VAL A 77 -4.112 -9.983 5.063 1.00 65.14 C ATOM 1091 CG2 VAL A 77 -3.619 -7.751 4.033 1.00 71.22 C ATOM 0 H VAL A 77 -6.024 -8.249 2.452 1.00 50.34 H new ATOM 0 HA VAL A 77 -6.586 -9.180 5.182 1.00 62.24 H new ATOM 0 HB VAL A 77 -4.548 -8.030 5.905 1.00 11.33 H new ATOM 0 HG11 VAL A 77 -3.062 -10.001 5.354 1.00 65.14 H new ATOM 0 HG12 VAL A 77 -4.707 -10.495 5.819 1.00 65.14 H new ATOM 0 HG13 VAL A 77 -4.232 -10.488 4.104 1.00 65.14 H new ATOM 0 HG21 VAL A 77 -2.601 -7.855 4.409 1.00 71.22 H new ATOM 0 HG22 VAL A 77 -3.673 -8.145 3.018 1.00 71.22 H new ATOM 0 HG23 VAL A 77 -3.898 -6.697 4.028 1.00 71.22 H new ATOM 1101 N LYS A 78 -7.303 -6.935 5.877 1.00 64.50 N ATOM 1102 CA LYS A 78 -7.463 -5.686 6.573 1.00 61.21 C ATOM 1103 C LYS A 78 -6.114 -5.303 7.137 1.00 22.31 C ATOM 1104 O LYS A 78 -5.503 -6.121 7.833 1.00 73.12 O ATOM 1105 CB LYS A 78 -8.415 -5.893 7.746 1.00 13.02 C ATOM 1106 CG LYS A 78 -9.877 -5.818 7.329 1.00 52.41 C ATOM 1107 CD LYS A 78 -10.793 -6.138 8.511 1.00 50.01 C ATOM 1108 CE LYS A 78 -12.155 -6.625 8.046 1.00 25.55 C ATOM 1109 NZ LYS A 78 -12.948 -5.574 7.362 1.00 5.23 N ATOM 0 H LYS A 78 -7.757 -7.714 6.354 1.00 64.50 H new ATOM 0 HA LYS A 78 -7.850 -4.920 5.901 1.00 61.21 H new ATOM 0 HB2 LYS A 78 -8.220 -6.864 8.202 1.00 13.02 H new ATOM 0 HB3 LYS A 78 -8.218 -5.138 8.507 1.00 13.02 H new ATOM 0 HG2 LYS A 78 -10.101 -4.822 6.948 1.00 52.41 H new ATOM 0 HG3 LYS A 78 -10.065 -6.520 6.516 1.00 52.41 H new ATOM 0 HD2 LYS A 78 -10.328 -6.899 9.137 1.00 50.01 H new ATOM 0 HD3 LYS A 78 -10.915 -5.248 9.129 1.00 50.01 H new ATOM 0 HE2 LYS A 78 -12.021 -7.468 7.369 1.00 25.55 H new ATOM 0 HE3 LYS A 78 -12.715 -6.993 8.906 1.00 25.55 H new ATOM 0 HZ1 LYS A 78 -13.334 -5.953 6.474 1.00 5.23 H new ATOM 0 HZ2 LYS A 78 -13.729 -5.272 7.979 1.00 5.23 H new ATOM 0 HZ3 LYS A 78 -12.337 -4.759 7.153 1.00 5.23 H new ATOM 1119 N LEU A 79 -5.687 -4.070 6.906 1.00 73.53 N ATOM 1120 CA LEU A 79 -4.626 -3.442 7.683 1.00 70.50 C ATOM 1121 C LEU A 79 -5.299 -2.447 8.603 1.00 11.34 C ATOM 1122 O LEU A 79 -6.373 -1.926 8.291 1.00 12.02 O ATOM 1123 CB LEU A 79 -3.607 -2.740 6.765 1.00 5.33 C ATOM 1124 CG LEU A 79 -2.481 -3.653 6.241 1.00 10.42 C ATOM 1125 CD1 LEU A 79 -2.946 -5.044 5.869 1.00 23.52 C ATOM 1126 CD2 LEU A 79 -1.783 -2.982 5.059 1.00 30.42 C ATOM 0 H LEU A 79 -6.068 -3.474 6.171 1.00 73.53 H new ATOM 0 HA LEU A 79 -4.068 -4.186 8.251 1.00 70.50 H new ATOM 0 HB2 LEU A 79 -4.138 -2.314 5.913 1.00 5.33 H new ATOM 0 HB3 LEU A 79 -3.159 -1.909 7.310 1.00 5.33 H new ATOM 0 HG LEU A 79 -1.778 -3.789 7.063 1.00 10.42 H new ATOM 0 HD11 LEU A 79 -2.098 -5.627 5.509 1.00 23.52 H new ATOM 0 HD12 LEU A 79 -3.375 -5.530 6.745 1.00 23.52 H new ATOM 0 HD13 LEU A 79 -3.700 -4.978 5.085 1.00 23.52 H new ATOM 0 HD21 LEU A 79 -0.987 -3.630 4.691 1.00 30.42 H new ATOM 0 HD22 LEU A 79 -2.505 -2.806 4.262 1.00 30.42 H new ATOM 0 HD23 LEU A 79 -1.357 -2.031 5.380 1.00 30.42 H new ATOM 1137 N VAL A 80 -4.655 -2.165 9.725 1.00 10.23 N ATOM 1138 CA VAL A 80 -5.056 -1.105 10.612 1.00 12.02 C ATOM 1139 C VAL A 80 -3.900 -0.134 10.826 1.00 32.12 C ATOM 1140 O VAL A 80 -2.746 -0.555 10.966 1.00 24.14 O ATOM 1141 CB VAL A 80 -5.588 -1.708 11.910 1.00 74.23 C ATOM 1142 CG1 VAL A 80 -6.773 -2.647 11.727 1.00 50.11 C ATOM 1143 CG2 VAL A 80 -4.604 -2.487 12.768 1.00 12.03 C ATOM 0 H VAL A 80 -3.831 -2.676 10.041 1.00 10.23 H new ATOM 0 HA VAL A 80 -5.866 -0.523 10.172 1.00 12.02 H new ATOM 0 HB VAL A 80 -5.862 -0.785 12.421 1.00 74.23 H new ATOM 0 HG11 VAL A 80 -7.087 -3.030 12.698 1.00 50.11 H new ATOM 0 HG12 VAL A 80 -7.599 -2.105 11.266 1.00 50.11 H new ATOM 0 HG13 VAL A 80 -6.482 -3.479 11.086 1.00 50.11 H new ATOM 0 HG21 VAL A 80 -5.112 -2.859 13.658 1.00 12.03 H new ATOM 0 HG22 VAL A 80 -4.209 -3.327 12.197 1.00 12.03 H new ATOM 0 HG23 VAL A 80 -3.784 -1.834 13.065 1.00 12.03 H new ATOM 1153 N PHE A 81 -4.220 1.158 10.851 1.00 65.22 N ATOM 1154 CA PHE A 81 -3.270 2.249 10.876 1.00 10.45 C ATOM 1155 C PHE A 81 -3.408 2.973 12.202 1.00 25.34 C ATOM 1156 O PHE A 81 -4.458 3.531 12.524 1.00 54.43 O ATOM 1157 CB PHE A 81 -3.524 3.172 9.672 1.00 24.15 C ATOM 1158 CG PHE A 81 -3.293 2.518 8.317 1.00 44.10 C ATOM 1159 CD1 PHE A 81 -2.137 1.747 8.104 1.00 52.40 C ATOM 1160 CD2 PHE A 81 -4.218 2.657 7.264 1.00 13.34 C ATOM 1161 CE1 PHE A 81 -1.895 1.160 6.855 1.00 14.44 C ATOM 1162 CE2 PHE A 81 -3.947 2.097 5.997 1.00 72.33 C ATOM 1163 CZ PHE A 81 -2.750 1.393 5.767 1.00 31.25 C ATOM 0 H PHE A 81 -5.189 1.478 10.854 1.00 65.22 H new ATOM 0 HA PHE A 81 -2.246 1.886 10.793 1.00 10.45 H new ATOM 0 HB2 PHE A 81 -4.552 3.533 9.717 1.00 24.15 H new ATOM 0 HB3 PHE A 81 -2.876 4.044 9.756 1.00 24.15 H new ATOM 0 HD1 PHE A 81 -1.431 1.606 8.909 1.00 52.40 H new ATOM 0 HD2 PHE A 81 -5.140 3.195 7.427 1.00 13.34 H new ATOM 0 HE1 PHE A 81 -1.036 0.518 6.728 1.00 14.44 H new ATOM 0 HE2 PHE A 81 -4.664 2.210 5.197 1.00 72.33 H new ATOM 0 HZ PHE A 81 -2.496 1.041 4.778 1.00 31.25 H new ATOM 1172 N ASP A 82 -2.327 2.985 12.977 1.00 10.12 N ATOM 1173 CA ASP A 82 -2.250 3.583 14.309 1.00 64.20 C ATOM 1174 C ASP A 82 -2.241 5.119 14.250 1.00 5.25 C ATOM 1175 O ASP A 82 -2.005 5.788 15.255 1.00 71.52 O ATOM 1176 CB ASP A 82 -1.009 3.033 15.024 1.00 4.21 C ATOM 1177 CG ASP A 82 -1.059 3.183 16.547 1.00 1.32 C ATOM 1178 OD1 ASP A 82 -2.151 3.169 17.160 1.00 42.11 O ATOM 1179 OD2 ASP A 82 0.036 3.145 17.156 1.00 3.45 O ATOM 0 H ASP A 82 -1.446 2.562 12.684 1.00 10.12 H new ATOM 0 HA ASP A 82 -3.142 3.312 14.874 1.00 64.20 H new ATOM 0 HB2 ASP A 82 -0.895 1.978 14.775 1.00 4.21 H new ATOM 0 HB3 ASP A 82 -0.125 3.547 14.646 1.00 4.21 H new ATOM 1183 N ASP A 83 -2.473 5.703 13.070 1.00 65.12 N ATOM 1184 CA ASP A 83 -2.883 7.100 12.899 1.00 32.52 C ATOM 1185 C ASP A 83 -4.372 7.295 13.230 1.00 3.21 C ATOM 1186 O ASP A 83 -4.845 8.428 13.328 1.00 32.32 O ATOM 1187 CB ASP A 83 -2.513 7.615 11.491 1.00 10.13 C ATOM 1188 CG ASP A 83 -3.612 7.621 10.413 1.00 74.24 C ATOM 1189 OD1 ASP A 83 -4.594 6.850 10.465 1.00 63.53 O ATOM 1190 OD2 ASP A 83 -3.456 8.413 9.453 1.00 1.31 O ATOM 0 H ASP A 83 -2.378 5.204 12.185 1.00 65.12 H new ATOM 0 HA ASP A 83 -2.329 7.708 13.614 1.00 32.52 H new ATOM 0 HB2 ASP A 83 -2.141 8.634 11.595 1.00 10.13 H new ATOM 0 HB3 ASP A 83 -1.685 7.010 11.121 1.00 10.13 H new ATOM 1194 N GLY A 84 -5.107 6.199 13.441 1.00 72.43 N ATOM 1195 CA GLY A 84 -6.519 6.168 13.769 1.00 31.44 C ATOM 1196 C GLY A 84 -7.366 5.865 12.538 1.00 34.13 C ATOM 1197 O GLY A 84 -8.285 6.632 12.240 1.00 22.43 O ATOM 0 H GLY A 84 -4.703 5.264 13.382 1.00 72.43 H new ATOM 0 HA2 GLY A 84 -6.701 5.412 14.533 1.00 31.44 H new ATOM 0 HA3 GLY A 84 -6.818 7.127 14.192 1.00 31.44 H new ATOM 1201 N HIS A 85 -7.061 4.810 11.780 1.00 65.23 N ATOM 1202 CA HIS A 85 -7.965 4.224 10.801 1.00 74.32 C ATOM 1203 C HIS A 85 -7.752 2.712 10.796 1.00 73.32 C ATOM 1204 O HIS A 85 -6.832 2.206 10.152 1.00 44.24 O ATOM 1205 CB HIS A 85 -7.788 4.854 9.404 1.00 1.11 C ATOM 1206 CG HIS A 85 -8.986 5.653 8.941 1.00 53.20 C ATOM 1207 ND1 HIS A 85 -9.799 6.444 9.728 1.00 74.40 N ATOM 1208 CD2 HIS A 85 -9.453 5.742 7.656 1.00 2.21 C ATOM 1209 CE1 HIS A 85 -10.746 6.980 8.945 1.00 25.22 C ATOM 1210 NE2 HIS A 85 -10.535 6.632 7.663 1.00 45.12 N ATOM 0 H HIS A 85 -6.161 4.334 11.834 1.00 65.23 H new ATOM 0 HA HIS A 85 -8.997 4.435 11.080 1.00 74.32 H new ATOM 0 HB2 HIS A 85 -6.912 5.503 9.416 1.00 1.11 H new ATOM 0 HB3 HIS A 85 -7.589 4.063 8.681 1.00 1.11 H new ATOM 0 HD1 HIS A 85 -9.697 6.595 10.732 1.00 74.40 H new ATOM 0 HD2 HIS A 85 -9.059 5.222 6.795 1.00 2.21 H new ATOM 0 HE1 HIS A 85 -11.559 7.600 9.293 1.00 25.22 H new ATOM 1217 N ASP A 86 -8.618 1.975 11.489 1.00 62.23 N ATOM 1218 CA ASP A 86 -8.608 0.512 11.494 1.00 52.24 C ATOM 1219 C ASP A 86 -9.487 -0.030 10.361 1.00 53.20 C ATOM 1220 O ASP A 86 -10.089 -1.099 10.473 1.00 31.31 O ATOM 1221 CB ASP A 86 -8.902 -0.100 12.879 1.00 21.13 C ATOM 1222 CG ASP A 86 -10.275 0.254 13.455 1.00 64.33 C ATOM 1223 OD1 ASP A 86 -11.288 -0.326 12.997 1.00 43.04 O ATOM 1224 OD2 ASP A 86 -10.355 1.016 14.447 1.00 70.24 O ATOM 0 H ASP A 86 -9.353 2.380 12.068 1.00 62.23 H new ATOM 0 HA ASP A 86 -7.590 0.182 11.289 1.00 52.24 H new ATOM 0 HB2 ASP A 86 -8.822 -1.185 12.806 1.00 21.13 H new ATOM 0 HB3 ASP A 86 -8.134 0.230 13.578 1.00 21.13 H new ATOM 1228 N THR A 87 -9.557 0.689 9.237 1.00 23.54 N ATOM 1229 CA THR A 87 -10.250 0.249 8.042 1.00 62.32 C ATOM 1230 C THR A 87 -9.390 0.518 6.806 1.00 43.14 C ATOM 1231 O THR A 87 -9.125 1.667 6.425 1.00 33.33 O ATOM 1232 CB THR A 87 -11.688 0.792 8.011 1.00 14.15 C ATOM 1233 OG1 THR A 87 -12.374 0.309 6.868 1.00 72.33 O ATOM 1234 CG2 THR A 87 -11.837 2.314 8.140 1.00 63.40 C ATOM 0 H THR A 87 -9.124 1.607 9.139 1.00 23.54 H new ATOM 0 HA THR A 87 -10.386 -0.832 8.047 1.00 62.32 H new ATOM 0 HB THR A 87 -12.147 0.406 8.921 1.00 14.15 H new ATOM 0 HG1 THR A 87 -13.288 0.661 6.862 1.00 72.33 H new ATOM 0 HG21 THR A 87 -12.893 2.580 8.105 1.00 63.40 H new ATOM 0 HG22 THR A 87 -11.411 2.642 9.088 1.00 63.40 H new ATOM 0 HG23 THR A 87 -11.313 2.802 7.318 1.00 63.40 H new ATOM 1242 N GLY A 88 -8.979 -0.566 6.154 1.00 65.33 N ATOM 1243 CA GLY A 88 -8.609 -0.596 4.753 1.00 44.04 C ATOM 1244 C GLY A 88 -8.369 -2.047 4.342 1.00 4.05 C ATOM 1245 O GLY A 88 -7.680 -2.765 5.067 1.00 71.50 O ATOM 0 H GLY A 88 -8.893 -1.476 6.607 1.00 65.33 H new ATOM 0 HA2 GLY A 88 -9.399 -0.156 4.144 1.00 44.04 H new ATOM 0 HA3 GLY A 88 -7.710 -0.002 4.587 1.00 44.04 H new ATOM 1249 N LEU A 89 -8.945 -2.493 3.219 1.00 25.44 N ATOM 1250 CA LEU A 89 -8.814 -3.863 2.712 1.00 70.14 C ATOM 1251 C LEU A 89 -7.845 -3.873 1.536 1.00 74.41 C ATOM 1252 O LEU A 89 -7.962 -3.025 0.649 1.00 22.14 O ATOM 1253 CB LEU A 89 -10.171 -4.417 2.218 1.00 24.41 C ATOM 1254 CG LEU A 89 -10.834 -5.527 3.040 1.00 51.22 C ATOM 1255 CD1 LEU A 89 -9.888 -6.695 3.276 1.00 71.32 C ATOM 1256 CD2 LEU A 89 -11.374 -4.996 4.363 1.00 61.43 C ATOM 0 H LEU A 89 -9.526 -1.900 2.627 1.00 25.44 H new ATOM 0 HA LEU A 89 -8.452 -4.487 3.529 1.00 70.14 H new ATOM 0 HB2 LEU A 89 -10.870 -3.583 2.157 1.00 24.41 H new ATOM 0 HB3 LEU A 89 -10.030 -4.790 1.204 1.00 24.41 H new ATOM 0 HG LEU A 89 -11.677 -5.894 2.454 1.00 51.22 H new ATOM 0 HD11 LEU A 89 -10.395 -7.461 3.862 1.00 71.32 H new ATOM 0 HD12 LEU A 89 -9.582 -7.115 2.318 1.00 71.32 H new ATOM 0 HD13 LEU A 89 -9.008 -6.347 3.817 1.00 71.32 H new ATOM 0 HD21 LEU A 89 -11.837 -5.810 4.920 1.00 61.43 H new ATOM 0 HD22 LEU A 89 -10.556 -4.576 4.948 1.00 61.43 H new ATOM 0 HD23 LEU A 89 -12.116 -4.221 4.169 1.00 61.43 H new ATOM 1267 N TYR A 90 -6.980 -4.883 1.479 1.00 74.53 N ATOM 1268 CA TYR A 90 -5.878 -5.009 0.535 1.00 23.23 C ATOM 1269 C TYR A 90 -5.900 -6.409 -0.076 1.00 70.13 C ATOM 1270 O TYR A 90 -6.067 -7.393 0.654 1.00 54.10 O ATOM 1271 CB TYR A 90 -4.561 -4.719 1.277 1.00 74.52 C ATOM 1272 CG TYR A 90 -4.496 -3.294 1.784 1.00 5.31 C ATOM 1273 CD1 TYR A 90 -5.057 -2.922 3.017 1.00 11.14 C ATOM 1274 CD2 TYR A 90 -3.962 -2.309 0.944 1.00 21.35 C ATOM 1275 CE1 TYR A 90 -5.127 -1.561 3.359 1.00 24.15 C ATOM 1276 CE2 TYR A 90 -3.994 -0.955 1.267 1.00 51.11 C ATOM 1277 CZ TYR A 90 -4.624 -0.574 2.482 1.00 71.30 C ATOM 1278 OH TYR A 90 -4.763 0.727 2.835 1.00 4.45 O ATOM 0 H TYR A 90 -7.033 -5.673 2.122 1.00 74.53 H new ATOM 0 HA TYR A 90 -5.973 -4.292 -0.281 1.00 23.23 H new ATOM 0 HB2 TYR A 90 -4.459 -5.407 2.116 1.00 74.52 H new ATOM 0 HB3 TYR A 90 -3.720 -4.904 0.609 1.00 74.52 H new ATOM 0 HD1 TYR A 90 -5.431 -3.675 3.695 1.00 11.14 H new ATOM 0 HD2 TYR A 90 -3.509 -2.611 0.011 1.00 21.35 H new ATOM 0 HE1 TYR A 90 -5.569 -1.267 4.300 1.00 24.15 H new ATOM 0 HE2 TYR A 90 -3.553 -0.217 0.614 1.00 51.11 H new ATOM 0 HH TYR A 90 -4.119 1.272 2.336 1.00 4.45 H new ATOM 1287 N SER A 91 -5.757 -6.509 -1.400 1.00 21.24 N ATOM 1288 CA SER A 91 -5.984 -7.727 -2.175 1.00 21.54 C ATOM 1289 C SER A 91 -4.791 -8.095 -3.035 1.00 51.23 C ATOM 1290 O SER A 91 -4.107 -7.227 -3.548 1.00 4.13 O ATOM 1291 CB SER A 91 -7.314 -7.649 -2.932 1.00 42.10 C ATOM 1292 OG SER A 91 -7.631 -6.367 -3.440 1.00 70.40 O ATOM 0 H SER A 91 -5.471 -5.719 -1.978 1.00 21.24 H new ATOM 0 HA SER A 91 -6.081 -8.563 -1.483 1.00 21.54 H new ATOM 0 HB2 SER A 91 -7.287 -8.357 -3.761 1.00 42.10 H new ATOM 0 HB3 SER A 91 -8.115 -7.969 -2.266 1.00 42.10 H new ATOM 0 HG SER A 91 -8.491 -6.404 -3.909 1.00 70.40 H new ATOM 1297 N TRP A 92 -4.497 -9.389 -3.163 1.00 4.23 N ATOM 1298 CA TRP A 92 -3.200 -9.904 -3.591 1.00 44.42 C ATOM 1299 C TRP A 92 -2.697 -9.279 -4.890 1.00 23.15 C ATOM 1300 O TRP A 92 -1.531 -8.889 -4.956 1.00 10.11 O ATOM 1301 CB TRP A 92 -3.286 -11.421 -3.716 1.00 31.14 C ATOM 1302 CG TRP A 92 -3.826 -12.173 -2.535 1.00 33.31 C ATOM 1303 CD1 TRP A 92 -4.478 -13.348 -2.644 1.00 73.33 C ATOM 1304 CD2 TRP A 92 -3.785 -11.877 -1.098 1.00 51.41 C ATOM 1305 NE1 TRP A 92 -4.784 -13.832 -1.395 1.00 50.01 N ATOM 1306 CE2 TRP A 92 -4.348 -12.988 -0.401 1.00 11.24 C ATOM 1307 CE3 TRP A 92 -3.325 -10.803 -0.299 1.00 33.23 C ATOM 1308 CZ2 TRP A 92 -4.403 -13.050 0.999 1.00 63.24 C ATOM 1309 CZ3 TRP A 92 -3.366 -10.858 1.106 1.00 34.52 C ATOM 1310 CH2 TRP A 92 -3.886 -11.992 1.753 1.00 54.05 C ATOM 0 H TRP A 92 -5.174 -10.126 -2.966 1.00 4.23 H new ATOM 0 HA TRP A 92 -2.469 -9.627 -2.831 1.00 44.42 H new ATOM 0 HB2 TRP A 92 -3.908 -11.655 -4.580 1.00 31.14 H new ATOM 0 HB3 TRP A 92 -2.287 -11.800 -3.931 1.00 31.14 H new ATOM 0 HD1 TRP A 92 -4.723 -13.837 -3.575 1.00 73.33 H new ATOM 0 HE1 TRP A 92 -5.275 -14.710 -1.226 1.00 50.01 H new ATOM 0 HE3 TRP A 92 -2.933 -9.919 -0.780 1.00 33.23 H new ATOM 0 HZ2 TRP A 92 -4.840 -13.907 1.490 1.00 63.24 H new ATOM 0 HZ3 TRP A 92 -2.997 -10.027 1.689 1.00 34.52 H new ATOM 0 HH2 TRP A 92 -3.886 -12.046 2.832 1.00 54.05 H new ATOM 1320 N LYS A 93 -3.575 -9.114 -5.886 1.00 10.15 N ATOM 1321 CA LYS A 93 -3.257 -8.384 -7.105 1.00 43.33 C ATOM 1322 C LYS A 93 -2.722 -7.012 -6.773 1.00 3.11 C ATOM 1323 O LYS A 93 -1.690 -6.645 -7.312 1.00 5.32 O ATOM 1324 CB LYS A 93 -4.499 -8.204 -7.975 1.00 31.41 C ATOM 1325 CG LYS A 93 -4.176 -7.586 -9.348 1.00 43.44 C ATOM 1326 CD LYS A 93 -5.284 -6.637 -9.816 1.00 61.12 C ATOM 1327 CE LYS A 93 -4.879 -5.818 -11.041 1.00 22.34 C ATOM 1328 NZ LYS A 93 -4.512 -6.647 -12.202 1.00 1.25 N ATOM 0 H LYS A 93 -4.525 -9.485 -5.863 1.00 10.15 H new ATOM 0 HA LYS A 93 -2.508 -8.965 -7.644 1.00 43.33 H new ATOM 0 HB2 LYS A 93 -4.980 -9.171 -8.120 1.00 31.41 H new ATOM 0 HB3 LYS A 93 -5.214 -7.568 -7.454 1.00 31.41 H new ATOM 0 HG2 LYS A 93 -3.232 -7.044 -9.290 1.00 43.44 H new ATOM 0 HG3 LYS A 93 -4.043 -8.380 -10.082 1.00 43.44 H new ATOM 0 HD2 LYS A 93 -6.178 -7.215 -10.050 1.00 61.12 H new ATOM 0 HD3 LYS A 93 -5.546 -5.961 -9.002 1.00 61.12 H new ATOM 0 HE2 LYS A 93 -5.703 -5.161 -11.319 1.00 22.34 H new ATOM 0 HE3 LYS A 93 -4.036 -5.179 -10.779 1.00 22.34 H new ATOM 0 HZ1 LYS A 93 -4.281 -6.032 -13.008 1.00 1.25 H new ATOM 0 HZ2 LYS A 93 -3.685 -7.231 -11.964 1.00 1.25 H new ATOM 0 HZ3 LYS A 93 -5.311 -7.263 -12.455 1.00 1.25 H new ATOM 1338 N VAL A 94 -3.436 -6.257 -5.944 1.00 50.14 N ATOM 1339 CA VAL A 94 -3.140 -4.853 -5.718 1.00 51.50 C ATOM 1340 C VAL A 94 -1.746 -4.746 -5.109 1.00 52.41 C ATOM 1341 O VAL A 94 -0.954 -3.906 -5.533 1.00 42.20 O ATOM 1342 CB VAL A 94 -4.222 -4.259 -4.805 1.00 21.23 C ATOM 1343 CG1 VAL A 94 -3.986 -2.778 -4.452 1.00 41.22 C ATOM 1344 CG2 VAL A 94 -5.622 -4.427 -5.371 1.00 41.41 C ATOM 0 H VAL A 94 -4.234 -6.604 -5.412 1.00 50.14 H new ATOM 0 HA VAL A 94 -3.146 -4.287 -6.649 1.00 51.50 H new ATOM 0 HB VAL A 94 -4.143 -4.837 -3.885 1.00 21.23 H new ATOM 0 HG11 VAL A 94 -4.789 -2.426 -3.805 1.00 41.22 H new ATOM 0 HG12 VAL A 94 -3.032 -2.675 -3.935 1.00 41.22 H new ATOM 0 HG13 VAL A 94 -3.970 -2.184 -5.366 1.00 41.22 H new ATOM 0 HG21 VAL A 94 -6.347 -3.989 -4.685 1.00 41.41 H new ATOM 0 HG22 VAL A 94 -5.687 -3.925 -6.336 1.00 41.41 H new ATOM 0 HG23 VAL A 94 -5.838 -5.488 -5.499 1.00 41.41 H new ATOM 1354 N LEU A 95 -1.422 -5.626 -4.155 1.00 71.40 N ATOM 1355 CA LEU A 95 -0.103 -5.662 -3.556 1.00 5.53 C ATOM 1356 C LEU A 95 0.960 -5.955 -4.631 1.00 64.43 C ATOM 1357 O LEU A 95 1.975 -5.269 -4.663 1.00 10.51 O ATOM 1358 CB LEU A 95 -0.048 -6.654 -2.382 1.00 74.12 C ATOM 1359 CG LEU A 95 -0.886 -6.239 -1.143 1.00 52.03 C ATOM 1360 CD1 LEU A 95 -2.294 -6.798 -1.185 1.00 10.45 C ATOM 1361 CD2 LEU A 95 -0.243 -6.746 0.152 1.00 45.04 C ATOM 0 H LEU A 95 -2.068 -6.324 -3.786 1.00 71.40 H new ATOM 0 HA LEU A 95 0.120 -4.682 -3.135 1.00 5.53 H new ATOM 0 HB2 LEU A 95 -0.396 -7.627 -2.729 1.00 74.12 H new ATOM 0 HB3 LEU A 95 0.991 -6.777 -2.076 1.00 74.12 H new ATOM 0 HG LEU A 95 -0.920 -5.150 -1.165 1.00 52.03 H new ATOM 0 HD11 LEU A 95 -2.839 -6.479 -0.296 1.00 10.45 H new ATOM 0 HD12 LEU A 95 -2.805 -6.431 -2.075 1.00 10.45 H new ATOM 0 HD13 LEU A 95 -2.252 -7.887 -1.214 1.00 10.45 H new ATOM 0 HD21 LEU A 95 -0.851 -6.441 1.004 1.00 45.04 H new ATOM 0 HD22 LEU A 95 -0.177 -7.834 0.124 1.00 45.04 H new ATOM 0 HD23 LEU A 95 0.757 -6.325 0.251 1.00 45.04 H new ATOM 1372 N TYR A 96 0.733 -6.934 -5.519 1.00 23.11 N ATOM 1373 CA TYR A 96 1.628 -7.285 -6.635 1.00 10.24 C ATOM 1374 C TYR A 96 1.787 -6.105 -7.606 1.00 62.11 C ATOM 1375 O TYR A 96 2.869 -5.866 -8.149 1.00 12.42 O ATOM 1376 CB TYR A 96 1.065 -8.532 -7.363 1.00 70.02 C ATOM 1377 CG TYR A 96 2.055 -9.550 -7.930 1.00 14.25 C ATOM 1378 CD1 TYR A 96 3.158 -9.163 -8.720 1.00 34.03 C ATOM 1379 CD2 TYR A 96 1.840 -10.925 -7.690 1.00 5.31 C ATOM 1380 CE1 TYR A 96 4.035 -10.129 -9.253 1.00 53.11 C ATOM 1381 CE2 TYR A 96 2.746 -11.887 -8.164 1.00 24.20 C ATOM 1382 CZ TYR A 96 3.840 -11.497 -8.960 1.00 14.11 C ATOM 1383 OH TYR A 96 4.698 -12.449 -9.410 1.00 22.01 O ATOM 0 H TYR A 96 -0.101 -7.520 -5.481 1.00 23.11 H new ATOM 0 HA TYR A 96 2.618 -7.515 -6.242 1.00 10.24 H new ATOM 0 HB2 TYR A 96 0.411 -9.057 -6.666 1.00 70.02 H new ATOM 0 HB3 TYR A 96 0.440 -8.183 -8.185 1.00 70.02 H new ATOM 0 HD1 TYR A 96 3.332 -8.116 -8.918 1.00 34.03 H new ATOM 0 HD2 TYR A 96 0.969 -11.240 -7.135 1.00 5.31 H new ATOM 0 HE1 TYR A 96 4.856 -9.823 -9.885 1.00 53.11 H new ATOM 0 HE2 TYR A 96 2.603 -12.929 -7.917 1.00 24.20 H new ATOM 0 HH TYR A 96 4.719 -13.197 -8.777 1.00 22.01 H new ATOM 1392 N ASP A 97 0.700 -5.389 -7.886 1.00 45.43 N ATOM 1393 CA ASP A 97 0.644 -4.344 -8.901 1.00 33.03 C ATOM 1394 C ASP A 97 1.441 -3.140 -8.438 1.00 41.24 C ATOM 1395 O ASP A 97 2.430 -2.765 -9.075 1.00 3.25 O ATOM 1396 CB ASP A 97 -0.806 -3.992 -9.270 1.00 70.24 C ATOM 1397 CG ASP A 97 -0.914 -3.838 -10.783 1.00 11.24 C ATOM 1398 OD1 ASP A 97 -0.055 -3.166 -11.397 1.00 14.52 O ATOM 1399 OD2 ASP A 97 -1.765 -4.535 -11.378 1.00 44.13 O ATOM 0 H ASP A 97 -0.187 -5.524 -7.400 1.00 45.43 H new ATOM 0 HA ASP A 97 1.101 -4.713 -9.819 1.00 33.03 H new ATOM 0 HB2 ASP A 97 -1.482 -4.773 -8.923 1.00 70.24 H new ATOM 0 HB3 ASP A 97 -1.106 -3.068 -8.776 1.00 70.24 H new ATOM 1403 N LEU A 98 1.078 -2.623 -7.264 1.00 23.23 N ATOM 1404 CA LEU A 98 1.772 -1.553 -6.579 1.00 41.32 C ATOM 1405 C LEU A 98 3.243 -1.898 -6.416 1.00 30.05 C ATOM 1406 O LEU A 98 4.072 -1.063 -6.748 1.00 2.15 O ATOM 1407 CB LEU A 98 1.105 -1.267 -5.218 1.00 72.13 C ATOM 1408 CG LEU A 98 -0.298 -0.637 -5.332 1.00 45.11 C ATOM 1409 CD1 LEU A 98 -0.974 -0.546 -3.956 1.00 71.12 C ATOM 1410 CD2 LEU A 98 -0.223 0.757 -5.938 1.00 54.23 C ATOM 0 H LEU A 98 0.261 -2.956 -6.752 1.00 23.23 H new ATOM 0 HA LEU A 98 1.707 -0.646 -7.179 1.00 41.32 H new ATOM 0 HB2 LEU A 98 1.030 -2.199 -4.658 1.00 72.13 H new ATOM 0 HB3 LEU A 98 1.747 -0.600 -4.643 1.00 72.13 H new ATOM 0 HG LEU A 98 -0.889 -1.282 -5.983 1.00 45.11 H new ATOM 0 HD11 LEU A 98 -1.962 -0.098 -4.065 1.00 71.12 H new ATOM 0 HD12 LEU A 98 -1.073 -1.545 -3.533 1.00 71.12 H new ATOM 0 HD13 LEU A 98 -0.367 0.070 -3.293 1.00 71.12 H new ATOM 0 HD21 LEU A 98 -1.226 1.178 -6.007 1.00 54.23 H new ATOM 0 HD22 LEU A 98 0.396 1.395 -5.307 1.00 54.23 H new ATOM 0 HD23 LEU A 98 0.215 0.697 -6.934 1.00 54.23 H new ATOM 1421 N ALA A 99 3.578 -3.104 -5.942 1.00 62.14 N ATOM 1422 CA ALA A 99 4.968 -3.515 -5.719 1.00 50.10 C ATOM 1423 C ALA A 99 5.788 -3.398 -7.001 1.00 21.05 C ATOM 1424 O ALA A 99 6.850 -2.777 -6.988 1.00 50.40 O ATOM 1425 CB ALA A 99 5.051 -4.935 -5.147 1.00 10.11 C ATOM 0 H ALA A 99 2.893 -3.821 -5.703 1.00 62.14 H new ATOM 0 HA ALA A 99 5.393 -2.836 -4.980 1.00 50.10 H new ATOM 0 HB1 ALA A 99 6.096 -5.205 -4.995 1.00 10.11 H new ATOM 0 HB2 ALA A 99 4.523 -4.975 -4.194 1.00 10.11 H new ATOM 0 HB3 ALA A 99 4.593 -5.636 -5.845 1.00 10.11 H new ATOM 1431 N SER A 100 5.308 -3.976 -8.105 1.00 2.31 N ATOM 1432 CA SER A 100 6.070 -4.001 -9.349 1.00 14.15 C ATOM 1433 C SER A 100 6.272 -2.600 -9.937 1.00 23.04 C ATOM 1434 O SER A 100 7.198 -2.410 -10.725 1.00 34.35 O ATOM 1435 CB SER A 100 5.369 -4.923 -10.352 1.00 50.54 C ATOM 1436 OG SER A 100 6.259 -5.412 -11.339 1.00 45.24 O ATOM 0 H SER A 100 4.397 -4.431 -8.160 1.00 2.31 H new ATOM 0 HA SER A 100 7.066 -4.388 -9.131 1.00 14.15 H new ATOM 0 HB2 SER A 100 4.921 -5.763 -9.820 1.00 50.54 H new ATOM 0 HB3 SER A 100 4.556 -4.381 -10.835 1.00 50.54 H new ATOM 0 HG SER A 100 5.773 -5.997 -11.957 1.00 45.24 H new ATOM 1441 N ASN A 101 5.425 -1.630 -9.584 1.00 54.31 N ATOM 1442 CA ASN A 101 5.372 -0.318 -10.222 1.00 30.04 C ATOM 1443 C ASN A 101 5.488 0.783 -9.160 1.00 30.45 C ATOM 1444 O ASN A 101 4.897 1.852 -9.316 1.00 43.21 O ATOM 1445 CB ASN A 101 4.089 -0.179 -11.070 1.00 10.22 C ATOM 1446 CG ASN A 101 3.882 -1.298 -12.091 1.00 44.23 C ATOM 1447 OD1 ASN A 101 4.442 -1.296 -13.187 1.00 34.31 O ATOM 1448 ND2 ASN A 101 3.079 -2.298 -11.771 1.00 10.24 N ATOM 0 H ASN A 101 4.745 -1.740 -8.832 1.00 54.31 H new ATOM 0 HA ASN A 101 6.216 -0.211 -10.903 1.00 30.04 H new ATOM 0 HB2 ASN A 101 3.228 -0.149 -10.402 1.00 10.22 H new ATOM 0 HB3 ASN A 101 4.117 0.775 -11.596 1.00 10.22 H new ATOM 0 HD21 ASN A 101 2.927 -3.061 -12.431 1.00 10.24 H new ATOM 0 HD22 ASN A 101 2.611 -2.307 -10.865 1.00 10.24 H new ATOM 1454 N GLN A 102 6.201 0.538 -8.049 1.00 71.22 N ATOM 1455 CA GLN A 102 6.166 1.397 -6.861 1.00 11.44 C ATOM 1456 C GLN A 102 6.968 2.700 -7.024 1.00 1.24 C ATOM 1457 O GLN A 102 7.272 3.373 -6.036 1.00 3.45 O ATOM 1458 CB GLN A 102 6.611 0.624 -5.597 1.00 14.25 C ATOM 1459 CG GLN A 102 8.085 0.196 -5.583 1.00 32.14 C ATOM 1460 CD GLN A 102 8.510 -0.267 -4.186 1.00 62.33 C ATOM 1461 OE1 GLN A 102 9.030 0.531 -3.409 1.00 54.11 O ATOM 1462 NE2 GLN A 102 8.294 -1.522 -3.806 1.00 72.24 N ATOM 0 H GLN A 102 6.820 -0.267 -7.952 1.00 71.22 H new ATOM 0 HA GLN A 102 5.125 1.695 -6.737 1.00 11.44 H new ATOM 0 HB2 GLN A 102 6.421 1.247 -4.723 1.00 14.25 H new ATOM 0 HB3 GLN A 102 5.989 -0.265 -5.496 1.00 14.25 H new ATOM 0 HG2 GLN A 102 8.240 -0.610 -6.300 1.00 32.14 H new ATOM 0 HG3 GLN A 102 8.712 1.029 -5.900 1.00 32.14 H new ATOM 0 HE21 GLN A 102 7.862 -2.183 -4.452 1.00 72.24 H new ATOM 0 HE22 GLN A 102 8.560 -1.824 -2.869 1.00 72.24 H new ATOM 1469 N VAL A 103 7.365 3.023 -8.248 1.00 50.52 N ATOM 1470 CA VAL A 103 8.360 4.029 -8.558 1.00 31.23 C ATOM 1471 C VAL A 103 7.725 5.088 -9.437 1.00 71.04 C ATOM 1472 O VAL A 103 7.629 6.241 -9.029 1.00 50.42 O ATOM 1473 CB VAL A 103 9.554 3.346 -9.240 1.00 54.32 C ATOM 1474 CG1 VAL A 103 10.673 4.346 -9.506 1.00 1.51 C ATOM 1475 CG2 VAL A 103 10.126 2.204 -8.401 1.00 51.54 C ATOM 0 H VAL A 103 6.986 2.572 -9.080 1.00 50.52 H new ATOM 0 HA VAL A 103 8.725 4.520 -7.656 1.00 31.23 H new ATOM 0 HB VAL A 103 9.175 2.941 -10.178 1.00 54.32 H new ATOM 0 HG11 VAL A 103 11.507 3.838 -9.990 1.00 1.51 H new ATOM 0 HG12 VAL A 103 10.305 5.139 -10.156 1.00 1.51 H new ATOM 0 HG13 VAL A 103 11.008 4.777 -8.562 1.00 1.51 H new ATOM 0 HG21 VAL A 103 10.968 1.753 -8.926 1.00 51.54 H new ATOM 0 HG22 VAL A 103 10.463 2.592 -7.440 1.00 51.54 H new ATOM 0 HG23 VAL A 103 9.355 1.451 -8.238 1.00 51.54 H new ATOM 1485 N ASP A 104 7.297 4.710 -10.641 1.00 73.43 N ATOM 1486 CA ASP A 104 6.783 5.680 -11.598 1.00 12.15 C ATOM 1487 C ASP A 104 5.451 6.249 -11.105 1.00 11.53 C ATOM 1488 O ASP A 104 5.130 7.399 -11.383 1.00 10.25 O ATOM 1489 CB ASP A 104 6.624 5.025 -12.972 1.00 73.44 C ATOM 1490 CG ASP A 104 6.523 6.060 -14.093 1.00 10.33 C ATOM 1491 OD1 ASP A 104 7.559 6.699 -14.394 1.00 52.24 O ATOM 1492 OD2 ASP A 104 5.465 6.163 -14.758 1.00 65.03 O ATOM 0 H ASP A 104 7.297 3.745 -10.972 1.00 73.43 H new ATOM 0 HA ASP A 104 7.491 6.503 -11.691 1.00 12.15 H new ATOM 0 HB2 ASP A 104 7.473 4.368 -13.161 1.00 73.44 H new ATOM 0 HB3 ASP A 104 5.731 4.400 -12.974 1.00 73.44 H new ATOM 1496 N LEU A 105 4.701 5.457 -10.324 1.00 74.24 N ATOM 1497 CA LEU A 105 3.463 5.850 -9.666 1.00 3.13 C ATOM 1498 C LEU A 105 3.752 6.764 -8.476 1.00 73.01 C ATOM 1499 O LEU A 105 3.067 7.770 -8.305 1.00 3.35 O ATOM 1500 CB LEU A 105 2.708 4.569 -9.247 1.00 10.32 C ATOM 1501 CG LEU A 105 2.131 3.795 -10.444 1.00 5.44 C ATOM 1502 CD1 LEU A 105 1.538 2.454 -9.980 1.00 33.14 C ATOM 1503 CD2 LEU A 105 1.121 4.655 -11.221 1.00 4.21 C ATOM 0 H LEU A 105 4.957 4.489 -10.131 1.00 74.24 H new ATOM 0 HA LEU A 105 2.834 6.422 -10.349 1.00 3.13 H new ATOM 0 HB2 LEU A 105 3.385 3.919 -8.693 1.00 10.32 H new ATOM 0 HB3 LEU A 105 1.897 4.837 -8.569 1.00 10.32 H new ATOM 0 HG LEU A 105 2.938 3.564 -11.139 1.00 5.44 H new ATOM 0 HD11 LEU A 105 1.134 1.918 -10.839 1.00 33.14 H new ATOM 0 HD12 LEU A 105 2.318 1.854 -9.512 1.00 33.14 H new ATOM 0 HD13 LEU A 105 0.741 2.638 -9.260 1.00 33.14 H new ATOM 0 HD21 LEU A 105 0.728 4.084 -12.062 1.00 4.21 H new ATOM 0 HD22 LEU A 105 0.301 4.939 -10.561 1.00 4.21 H new ATOM 0 HD23 LEU A 105 1.616 5.552 -11.591 1.00 4.21 H new ATOM 1514 N TRP A 106 4.781 6.445 -7.690 1.00 50.32 N ATOM 1515 CA TRP A 106 5.209 7.229 -6.546 1.00 72.12 C ATOM 1516 C TRP A 106 5.584 8.632 -6.999 1.00 24.31 C ATOM 1517 O TRP A 106 4.979 9.597 -6.537 1.00 34.34 O ATOM 1518 CB TRP A 106 6.377 6.529 -5.843 1.00 42.53 C ATOM 1519 CG TRP A 106 6.964 7.244 -4.669 1.00 42.40 C ATOM 1520 CD1 TRP A 106 8.257 7.616 -4.527 1.00 14.23 C ATOM 1521 CD2 TRP A 106 6.295 7.653 -3.444 1.00 41.12 C ATOM 1522 NE1 TRP A 106 8.447 8.148 -3.267 1.00 62.10 N ATOM 1523 CE2 TRP A 106 7.269 8.186 -2.553 1.00 51.24 C ATOM 1524 CE3 TRP A 106 4.962 7.601 -2.987 1.00 1.22 C ATOM 1525 CZ2 TRP A 106 6.941 8.603 -1.258 1.00 1.22 C ATOM 1526 CZ3 TRP A 106 4.618 8.053 -1.703 1.00 34.34 C ATOM 1527 CH2 TRP A 106 5.606 8.544 -0.830 1.00 53.34 C ATOM 0 H TRP A 106 5.350 5.612 -7.841 1.00 50.32 H new ATOM 0 HA TRP A 106 4.393 7.314 -5.829 1.00 72.12 H new ATOM 0 HB2 TRP A 106 6.039 5.547 -5.512 1.00 42.53 H new ATOM 0 HB3 TRP A 106 7.168 6.364 -6.574 1.00 42.53 H new ATOM 0 HD1 TRP A 106 9.022 7.513 -5.282 1.00 14.23 H new ATOM 0 HE1 TRP A 106 9.346 8.472 -2.910 1.00 62.10 H new ATOM 0 HE3 TRP A 106 4.193 7.207 -3.635 1.00 1.22 H new ATOM 0 HZ2 TRP A 106 7.710 8.968 -0.593 1.00 1.22 H new ATOM 0 HZ3 TRP A 106 3.587 8.024 -1.383 1.00 34.34 H new ATOM 0 HH2 TRP A 106 5.339 8.873 0.163 1.00 53.34 H new ATOM 1537 N GLU A 107 6.533 8.726 -7.933 1.00 72.30 N ATOM 1538 CA GLU A 107 6.966 9.954 -8.585 1.00 10.43 C ATOM 1539 C GLU A 107 5.753 10.749 -9.056 1.00 50.41 C ATOM 1540 O GLU A 107 5.687 11.961 -8.841 1.00 64.24 O ATOM 1541 CB GLU A 107 7.847 9.587 -9.786 1.00 72.01 C ATOM 1542 CG GLU A 107 9.285 9.218 -9.414 1.00 62.02 C ATOM 1543 CD GLU A 107 10.209 10.402 -9.103 1.00 30.44 C ATOM 1544 OE1 GLU A 107 9.848 11.588 -9.302 1.00 22.42 O ATOM 1545 OE2 GLU A 107 11.345 10.155 -8.635 1.00 14.33 O ATOM 0 H GLU A 107 7.041 7.907 -8.268 1.00 72.30 H new ATOM 0 HA GLU A 107 7.532 10.566 -7.882 1.00 10.43 H new ATOM 0 HB2 GLU A 107 7.393 8.749 -10.314 1.00 72.01 H new ATOM 0 HB3 GLU A 107 7.866 10.428 -10.480 1.00 72.01 H new ATOM 0 HG2 GLU A 107 9.260 8.561 -8.545 1.00 62.02 H new ATOM 0 HG3 GLU A 107 9.719 8.646 -10.234 1.00 62.02 H new ATOM 1550 N ASN A 108 4.776 10.063 -9.661 1.00 2.53 N ATOM 1551 CA ASN A 108 3.568 10.699 -10.153 1.00 72.31 C ATOM 1552 C ASN A 108 2.837 11.443 -9.036 1.00 2.45 C ATOM 1553 O ASN A 108 2.543 12.617 -9.227 1.00 52.33 O ATOM 1554 CB ASN A 108 2.654 9.702 -10.882 1.00 3.22 C ATOM 1555 CG ASN A 108 2.078 10.333 -12.135 1.00 45.13 C ATOM 1556 OD1 ASN A 108 0.908 10.693 -12.198 1.00 41.21 O ATOM 1557 ND2 ASN A 108 2.865 10.473 -13.190 1.00 61.10 N ATOM 0 H ASN A 108 4.809 9.056 -9.818 1.00 2.53 H new ATOM 0 HA ASN A 108 3.866 11.443 -10.891 1.00 72.31 H new ATOM 0 HB2 ASN A 108 3.217 8.806 -11.144 1.00 3.22 H new ATOM 0 HB3 ASN A 108 1.846 9.388 -10.221 1.00 3.22 H new ATOM 0 HD21 ASN A 108 2.497 10.879 -14.050 1.00 61.10 H new ATOM 0 HD22 ASN A 108 3.839 10.175 -13.143 1.00 61.10 H new ATOM 1563 N TYR A 109 2.602 10.838 -7.862 1.00 32.02 N ATOM 1564 CA TYR A 109 2.009 11.547 -6.720 1.00 32.25 C ATOM 1565 C TYR A 109 2.797 12.795 -6.372 1.00 52.51 C ATOM 1566 O TYR A 109 2.191 13.858 -6.224 1.00 71.12 O ATOM 1567 CB TYR A 109 1.904 10.669 -5.462 1.00 41.10 C ATOM 1568 CG TYR A 109 0.808 9.637 -5.508 1.00 21.03 C ATOM 1569 CD1 TYR A 109 -0.541 10.022 -5.372 1.00 64.10 C ATOM 1570 CD2 TYR A 109 1.144 8.287 -5.680 1.00 25.41 C ATOM 1571 CE1 TYR A 109 -1.558 9.055 -5.465 1.00 34.03 C ATOM 1572 CE2 TYR A 109 0.139 7.315 -5.740 1.00 33.34 C ATOM 1573 CZ TYR A 109 -1.221 7.696 -5.655 1.00 30.44 C ATOM 1574 OH TYR A 109 -2.199 6.760 -5.756 1.00 24.44 O ATOM 0 H TYR A 109 2.814 9.857 -7.679 1.00 32.02 H new ATOM 0 HA TYR A 109 1.002 11.818 -7.038 1.00 32.25 H new ATOM 0 HB2 TYR A 109 2.857 10.162 -5.308 1.00 41.10 H new ATOM 0 HB3 TYR A 109 1.743 11.313 -4.598 1.00 41.10 H new ATOM 0 HD1 TYR A 109 -0.793 11.057 -5.197 1.00 64.10 H new ATOM 0 HD2 TYR A 109 2.181 7.996 -5.766 1.00 25.41 H new ATOM 0 HE1 TYR A 109 -2.594 9.350 -5.391 1.00 34.03 H new ATOM 0 HE2 TYR A 109 0.402 6.273 -5.851 1.00 33.34 H new ATOM 0 HH TYR A 109 -1.803 5.898 -6.001 1.00 24.44 H new ATOM 1583 N LEU A 110 4.118 12.687 -6.215 1.00 30.43 N ATOM 1584 CA LEU A 110 4.949 13.810 -5.782 1.00 45.10 C ATOM 1585 C LEU A 110 4.848 14.954 -6.797 1.00 31.33 C ATOM 1586 O LEU A 110 4.882 16.131 -6.422 1.00 30.12 O ATOM 1587 CB LEU A 110 6.422 13.388 -5.597 1.00 54.41 C ATOM 1588 CG LEU A 110 6.651 12.060 -4.852 1.00 23.03 C ATOM 1589 CD1 LEU A 110 8.134 11.708 -4.790 1.00 31.02 C ATOM 1590 CD2 LEU A 110 6.071 12.019 -3.436 1.00 1.45 C ATOM 0 H LEU A 110 4.638 11.825 -6.383 1.00 30.43 H new ATOM 0 HA LEU A 110 4.579 14.150 -4.815 1.00 45.10 H new ATOM 0 HB2 LEU A 110 6.886 13.315 -6.581 1.00 54.41 H new ATOM 0 HB3 LEU A 110 6.942 14.180 -5.057 1.00 54.41 H new ATOM 0 HG LEU A 110 6.108 11.321 -5.441 1.00 23.03 H new ATOM 0 HD11 LEU A 110 8.262 10.765 -4.258 1.00 31.02 H new ATOM 0 HD12 LEU A 110 8.527 11.610 -5.802 1.00 31.02 H new ATOM 0 HD13 LEU A 110 8.674 12.497 -4.266 1.00 31.02 H new ATOM 0 HD21 LEU A 110 6.278 11.048 -2.986 1.00 1.45 H new ATOM 0 HD22 LEU A 110 6.528 12.804 -2.833 1.00 1.45 H new ATOM 0 HD23 LEU A 110 4.993 12.176 -3.480 1.00 1.45 H new ATOM 1601 N ALA A 111 4.715 14.622 -8.081 1.00 70.24 N ATOM 1602 CA ALA A 111 4.509 15.555 -9.172 1.00 73.13 C ATOM 1603 C ALA A 111 3.093 16.160 -9.116 1.00 61.13 C ATOM 1604 O ALA A 111 2.953 17.371 -8.907 1.00 73.40 O ATOM 1605 CB ALA A 111 4.826 14.831 -10.491 1.00 61.24 C ATOM 0 H ALA A 111 4.750 13.652 -8.395 1.00 70.24 H new ATOM 0 HA ALA A 111 5.183 16.407 -9.090 1.00 73.13 H new ATOM 0 HB1 ALA A 111 4.677 15.515 -11.326 1.00 61.24 H new ATOM 0 HB2 ALA A 111 5.862 14.491 -10.480 1.00 61.24 H new ATOM 0 HB3 ALA A 111 4.164 13.972 -10.603 1.00 61.24 H new ATOM 1611 N ARG A 112 2.031 15.346 -9.241 1.00 24.42 N ATOM 1612 CA ARG A 112 0.629 15.800 -9.277 1.00 30.14 C ATOM 1613 C ARG A 112 0.225 16.578 -8.022 1.00 54.44 C ATOM 1614 O ARG A 112 -0.731 17.350 -8.079 1.00 2.44 O ATOM 1615 CB ARG A 112 -0.376 14.647 -9.484 1.00 32.01 C ATOM 1616 CG ARG A 112 -0.107 13.699 -10.662 1.00 45.52 C ATOM 1617 CD ARG A 112 -1.375 13.116 -11.293 1.00 14.53 C ATOM 1618 NE ARG A 112 -1.970 14.026 -12.285 1.00 33.25 N ATOM 1619 CZ ARG A 112 -2.954 13.725 -13.141 1.00 11.14 C ATOM 1620 NH1 ARG A 112 -3.544 12.536 -13.142 1.00 30.31 N ATOM 1621 NH2 ARG A 112 -3.339 14.648 -14.012 1.00 33.11 N ATOM 0 H ARG A 112 2.124 14.333 -9.322 1.00 24.42 H new ATOM 0 HA ARG A 112 0.585 16.464 -10.140 1.00 30.14 H new ATOM 0 HB2 ARG A 112 -0.406 14.054 -8.570 1.00 32.01 H new ATOM 0 HB3 ARG A 112 -1.368 15.080 -9.615 1.00 32.01 H new ATOM 0 HG2 ARG A 112 0.453 14.236 -11.427 1.00 45.52 H new ATOM 0 HG3 ARG A 112 0.526 12.880 -10.319 1.00 45.52 H new ATOM 0 HD2 ARG A 112 -1.137 12.165 -11.771 1.00 14.53 H new ATOM 0 HD3 ARG A 112 -2.105 12.906 -10.511 1.00 14.53 H new ATOM 0 HE ARG A 112 -1.598 14.975 -12.324 1.00 33.25 H new ATOM 0 HH11 ARG A 112 -3.250 11.820 -12.477 1.00 30.31 H new ATOM 0 HH12 ARG A 112 -4.291 12.338 -13.807 1.00 30.31 H new ATOM 0 HH21 ARG A 112 -2.887 15.563 -14.019 1.00 33.11 H new ATOM 0 HH22 ARG A 112 -4.087 14.443 -14.675 1.00 33.11 H new ATOM 1632 N LEU A 113 0.949 16.409 -6.913 1.00 44.44 N ATOM 1633 CA LEU A 113 0.827 17.161 -5.675 1.00 34.15 C ATOM 1634 C LEU A 113 1.017 18.637 -5.989 1.00 30.05 C ATOM 1635 O LEU A 113 0.083 19.433 -5.835 1.00 34.11 O ATOM 1636 CB LEU A 113 1.880 16.638 -4.676 1.00 72.34 C ATOM 1637 CG LEU A 113 1.811 17.160 -3.231 1.00 53.42 C ATOM 1638 CD1 LEU A 113 3.047 16.648 -2.500 1.00 2.24 C ATOM 1639 CD2 LEU A 113 1.805 18.677 -3.069 1.00 11.33 C ATOM 0 H LEU A 113 1.679 15.699 -6.859 1.00 44.44 H new ATOM 0 HA LEU A 113 -0.156 17.035 -5.222 1.00 34.15 H new ATOM 0 HB2 LEU A 113 1.803 15.551 -4.645 1.00 72.34 H new ATOM 0 HB3 LEU A 113 2.867 16.876 -5.073 1.00 72.34 H new ATOM 0 HG LEU A 113 0.860 16.804 -2.836 1.00 53.42 H new ATOM 0 HD11 LEU A 113 3.032 17.000 -1.469 1.00 2.24 H new ATOM 0 HD12 LEU A 113 3.051 15.558 -2.511 1.00 2.24 H new ATOM 0 HD13 LEU A 113 3.943 17.019 -2.997 1.00 2.24 H new ATOM 0 HD21 LEU A 113 1.754 18.930 -2.010 1.00 11.33 H new ATOM 0 HD22 LEU A 113 2.717 19.092 -3.498 1.00 11.33 H new ATOM 0 HD23 LEU A 113 0.939 19.094 -3.583 1.00 11.33 H new ATOM 1650 N ARG A 114 2.239 19.023 -6.386 1.00 31.04 N ATOM 1651 CA ARG A 114 2.548 20.432 -6.595 1.00 74.33 C ATOM 1652 C ARG A 114 1.923 20.930 -7.882 1.00 31.41 C ATOM 1653 O ARG A 114 1.530 22.092 -7.940 1.00 72.43 O ATOM 1654 CB ARG A 114 4.063 20.706 -6.654 1.00 44.52 C ATOM 1655 CG ARG A 114 4.790 20.746 -5.300 1.00 52.12 C ATOM 1656 CD ARG A 114 5.810 19.610 -5.163 1.00 53.51 C ATOM 1657 NE ARG A 114 6.654 19.757 -3.963 1.00 4.41 N ATOM 1658 CZ ARG A 114 7.266 18.772 -3.287 1.00 14.55 C ATOM 1659 NH1 ARG A 114 7.300 17.528 -3.749 1.00 72.34 N ATOM 1660 NH2 ARG A 114 7.875 19.037 -2.141 1.00 71.22 N ATOM 0 H ARG A 114 3.014 18.385 -6.565 1.00 31.04 H new ATOM 0 HA ARG A 114 2.135 20.962 -5.737 1.00 74.33 H new ATOM 0 HB2 ARG A 114 4.528 19.938 -7.272 1.00 44.52 H new ATOM 0 HB3 ARG A 114 4.221 21.659 -7.158 1.00 44.52 H new ATOM 0 HG2 ARG A 114 5.297 21.704 -5.189 1.00 52.12 H new ATOM 0 HG3 ARG A 114 4.060 20.677 -4.494 1.00 52.12 H new ATOM 0 HD2 ARG A 114 5.284 18.656 -5.120 1.00 53.51 H new ATOM 0 HD3 ARG A 114 6.444 19.585 -6.049 1.00 53.51 H new ATOM 0 HE ARG A 114 6.786 20.705 -3.610 1.00 4.41 H new ATOM 0 HH11 ARG A 114 6.854 17.302 -4.638 1.00 72.34 H new ATOM 0 HH12 ARG A 114 7.772 16.798 -3.215 1.00 72.34 H new ATOM 0 HH21 ARG A 114 7.878 19.988 -1.773 1.00 71.22 H new ATOM 0 HH22 ARG A 114 8.340 18.290 -1.626 1.00 71.22 H new ATOM 1671 N ALA A 115 1.745 20.057 -8.876 1.00 10.23 N ATOM 1672 CA ALA A 115 1.043 20.397 -10.093 1.00 45.13 C ATOM 1673 C ALA A 115 -0.434 20.655 -9.811 1.00 62.12 C ATOM 1674 O ALA A 115 -1.129 21.087 -10.732 1.00 41.53 O ATOM 1675 CB ALA A 115 1.198 19.281 -11.125 1.00 14.52 C ATOM 0 H ALA A 115 2.088 19.097 -8.850 1.00 10.23 H new ATOM 0 HA ALA A 115 1.480 21.311 -10.496 1.00 45.13 H new ATOM 0 HB1 ALA A 115 0.664 19.551 -12.036 1.00 14.52 H new ATOM 0 HB2 ALA A 115 2.255 19.140 -11.352 1.00 14.52 H new ATOM 0 HB3 ALA A 115 0.786 18.355 -10.724 1.00 14.52 H new ATOM 1681 N ALA A 116 -0.921 20.410 -8.582 1.00 34.32 N ATOM 1682 CA ALA A 116 -2.158 20.991 -8.140 1.00 4.25 C ATOM 1683 C ALA A 116 -1.847 22.098 -7.141 1.00 11.45 C ATOM 1684 O ALA A 116 -1.709 23.256 -7.530 1.00 74.12 O ATOM 1685 CB ALA A 116 -3.098 19.894 -7.612 1.00 62.20 C ATOM 0 H ALA A 116 -0.463 19.812 -7.894 1.00 34.32 H new ATOM 0 HA ALA A 116 -2.699 21.457 -8.964 1.00 4.25 H new ATOM 0 HB1 ALA A 116 -4.033 20.345 -7.279 1.00 62.20 H new ATOM 0 HB2 ALA A 116 -3.304 19.177 -8.407 1.00 62.20 H new ATOM 0 HB3 ALA A 116 -2.625 19.381 -6.775 1.00 62.20 H new ATOM 1691 N LYS A 117 -1.717 21.748 -5.867 1.00 62.11 N ATOM 1692 CA LYS A 117 -1.792 22.653 -4.718 1.00 54.52 C ATOM 1693 C LYS A 117 -1.720 21.935 -3.365 1.00 42.12 C ATOM 1694 O LYS A 117 -1.973 22.551 -2.324 1.00 13.11 O ATOM 1695 CB LYS A 117 -3.026 23.568 -4.794 1.00 51.33 C ATOM 1696 CG LYS A 117 -4.318 22.808 -5.097 1.00 24.42 C ATOM 1697 CD LYS A 117 -4.867 23.184 -6.479 1.00 33.32 C ATOM 1698 CE LYS A 117 -6.313 22.738 -6.634 1.00 32.34 C ATOM 1699 NZ LYS A 117 -6.841 23.092 -7.972 1.00 12.32 N ATOM 0 H LYS A 117 -1.548 20.781 -5.590 1.00 62.11 H new ATOM 0 HA LYS A 117 -0.900 23.276 -4.779 1.00 54.52 H new ATOM 0 HB2 LYS A 117 -3.137 24.098 -3.848 1.00 51.33 H new ATOM 0 HB3 LYS A 117 -2.865 24.322 -5.565 1.00 51.33 H new ATOM 0 HG2 LYS A 117 -4.131 21.735 -5.056 1.00 24.42 H new ATOM 0 HG3 LYS A 117 -5.063 23.031 -4.333 1.00 24.42 H new ATOM 0 HD2 LYS A 117 -4.799 24.263 -6.620 1.00 33.32 H new ATOM 0 HD3 LYS A 117 -4.256 22.722 -7.254 1.00 33.32 H new ATOM 0 HE2 LYS A 117 -6.382 21.660 -6.486 1.00 32.34 H new ATOM 0 HE3 LYS A 117 -6.925 23.205 -5.863 1.00 32.34 H new ATOM 0 HZ1 LYS A 117 -7.829 22.776 -8.050 1.00 12.32 H new ATOM 0 HZ2 LYS A 117 -6.796 24.123 -8.101 1.00 12.32 H new ATOM 0 HZ3 LYS A 117 -6.269 22.626 -8.705 1.00 12.32 H new ATOM 1709 N ALA A 118 -1.486 20.621 -3.372 1.00 71.03 N ATOM 1710 CA ALA A 118 -1.813 19.796 -2.210 1.00 52.30 C ATOM 1711 C ALA A 118 -0.780 19.920 -1.063 1.00 51.54 C ATOM 1712 O ALA A 118 0.213 20.649 -1.178 1.00 23.13 O ATOM 1713 CB ALA A 118 -2.056 18.363 -2.690 1.00 63.32 C ATOM 0 H ALA A 118 -1.078 20.113 -4.157 1.00 71.03 H new ATOM 0 HA ALA A 118 -2.731 20.162 -1.749 1.00 52.30 H new ATOM 0 HB1 ALA A 118 -2.302 17.730 -1.837 1.00 63.32 H new ATOM 0 HB2 ALA A 118 -2.883 18.352 -3.400 1.00 63.32 H new ATOM 0 HB3 ALA A 118 -1.156 17.984 -3.175 1.00 63.32 H new ATOM 1719 N SER A 119 -1.015 19.251 0.071 1.00 62.43 N ATOM 1720 CA SER A 119 -0.076 19.193 1.200 1.00 73.03 C ATOM 1721 C SER A 119 1.116 18.276 0.913 1.00 43.24 C ATOM 1722 O SER A 119 1.093 17.480 -0.023 1.00 53.42 O ATOM 1723 CB SER A 119 -0.782 18.682 2.461 1.00 73.21 C ATOM 1724 OG SER A 119 -1.919 19.457 2.783 1.00 74.14 O ATOM 0 H SER A 119 -1.875 18.727 0.234 1.00 62.43 H new ATOM 0 HA SER A 119 0.289 20.209 1.351 1.00 73.03 H new ATOM 0 HB2 SER A 119 -1.081 17.644 2.314 1.00 73.21 H new ATOM 0 HB3 SER A 119 -0.084 18.697 3.298 1.00 73.21 H new ATOM 0 HG SER A 119 -2.341 19.098 3.591 1.00 74.14 H new ATOM 1729 N ARG A 120 2.151 18.357 1.754 1.00 64.00 N ATOM 1730 CA ARG A 120 3.350 17.523 1.718 1.00 41.23 C ATOM 1731 C ARG A 120 3.681 17.123 3.148 1.00 4.44 C ATOM 1732 O ARG A 120 4.469 17.789 3.824 1.00 62.24 O ATOM 1733 CB ARG A 120 4.541 18.207 1.005 1.00 71.12 C ATOM 1734 CG ARG A 120 4.650 19.712 1.280 1.00 44.31 C ATOM 1735 CD ARG A 120 5.986 20.330 0.827 1.00 33.45 C ATOM 1736 NE ARG A 120 5.747 21.561 0.052 1.00 31.42 N ATOM 1737 CZ ARG A 120 5.654 22.814 0.507 1.00 14.11 C ATOM 1738 NH1 ARG A 120 6.119 23.129 1.709 1.00 14.44 N ATOM 1739 NH2 ARG A 120 5.020 23.732 -0.214 1.00 31.44 N ATOM 0 H ARG A 120 2.174 19.038 2.513 1.00 64.00 H new ATOM 0 HA ARG A 120 3.152 16.633 1.120 1.00 41.23 H new ATOM 0 HB2 ARG A 120 5.466 17.723 1.318 1.00 71.12 H new ATOM 0 HB3 ARG A 120 4.447 18.050 -0.070 1.00 71.12 H new ATOM 0 HG2 ARG A 120 3.833 20.225 0.773 1.00 44.31 H new ATOM 0 HG3 ARG A 120 4.523 19.887 2.348 1.00 44.31 H new ATOM 0 HD2 ARG A 120 6.603 20.555 1.697 1.00 33.45 H new ATOM 0 HD3 ARG A 120 6.539 19.612 0.220 1.00 33.45 H new ATOM 0 HE ARG A 120 5.639 21.442 -0.955 1.00 31.42 H new ATOM 0 HH11 ARG A 120 6.551 22.413 2.293 1.00 14.44 H new ATOM 0 HH12 ARG A 120 6.044 24.088 2.050 1.00 14.44 H new ATOM 0 HH21 ARG A 120 4.606 23.479 -1.111 1.00 31.44 H new ATOM 0 HH22 ARG A 120 4.947 24.690 0.130 1.00 31.44 H new ATOM 1750 N GLU A 121 3.049 16.054 3.613 1.00 43.41 N ATOM 1751 CA GLU A 121 3.434 15.290 4.805 1.00 11.53 C ATOM 1752 C GLU A 121 4.947 14.965 4.784 1.00 34.02 C ATOM 1753 O GLU A 121 5.552 15.020 3.705 1.00 45.20 O ATOM 1754 CB GLU A 121 2.657 13.996 4.868 1.00 61.54 C ATOM 1755 CG GLU A 121 1.202 13.967 4.383 1.00 71.30 C ATOM 1756 CD GLU A 121 0.340 15.220 4.513 1.00 14.13 C ATOM 1757 OE1 GLU A 121 -0.134 15.525 5.631 1.00 61.42 O ATOM 1758 OE2 GLU A 121 0.074 15.820 3.447 1.00 3.01 O ATOM 0 H GLU A 121 2.220 15.675 3.156 1.00 43.41 H new ATOM 0 HA GLU A 121 3.210 15.899 5.681 1.00 11.53 H new ATOM 0 HB2 GLU A 121 3.209 13.254 4.291 1.00 61.54 H new ATOM 0 HB3 GLU A 121 2.663 13.661 5.905 1.00 61.54 H new ATOM 0 HG2 GLU A 121 1.215 13.687 3.330 1.00 71.30 H new ATOM 0 HG3 GLU A 121 0.695 13.165 4.920 1.00 71.30 H new ATOM 1763 N PRO A 122 5.560 14.602 5.922 1.00 5.12 N ATOM 1764 CA PRO A 122 6.973 14.278 6.012 1.00 23.43 C ATOM 1765 C PRO A 122 7.306 12.849 5.593 1.00 64.11 C ATOM 1766 O PRO A 122 6.911 11.882 6.244 1.00 50.50 O ATOM 1767 CB PRO A 122 7.334 14.475 7.478 1.00 11.31 C ATOM 1768 CG PRO A 122 6.037 14.126 8.217 1.00 10.45 C ATOM 1769 CD PRO A 122 4.952 14.552 7.238 1.00 5.11 C ATOM 0 HA PRO A 122 7.537 14.914 5.330 1.00 23.43 H new ATOM 0 HB2 PRO A 122 8.155 13.825 7.780 1.00 11.31 H new ATOM 0 HB3 PRO A 122 7.648 15.499 7.680 1.00 11.31 H new ATOM 0 HG2 PRO A 122 5.978 13.062 8.445 1.00 10.45 H new ATOM 0 HG3 PRO A 122 5.957 14.660 9.164 1.00 10.45 H new ATOM 0 HD2 PRO A 122 4.122 13.846 7.252 1.00 5.11 H new ATOM 0 HD3 PRO A 122 4.547 15.526 7.512 1.00 5.11 H new