USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 606 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 60 SER OG : rot 40:sc= 0.609 USER MOD Set 1.2: A 64 GLN :FLIP amide:sc= 0.547 F(o=0.39,f=1.2) USER MOD Set 2.1: A 48 GLN : amide:sc= 0.773 K(o=3.3,f=-8.1!) USER MOD Set 2.2: A 51 LYS NZ :NH3+ -133:sc= 2.51 (180deg=1.09) USER MOD Set 3.1: A 45 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 49 GLN : amide:sc= -0.0228 X(o=-0.023,f=-0.44) USER MOD Single : A 26 MET CE :methyl -173:sc= -1.18 (180deg=-1.32) USER MOD Single : A 27 LYS NZ :NH3+ 142:sc= -0.559 (180deg=-1.97!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 166:sc= -0.0161 (180deg=-0.229) USER MOD Single : A 32 THR OG1 : rot -65:sc= 0.962 USER MOD Single : A 34 LYS NZ :NH3+ 172:sc=-0.00184 (180deg=-0.0795) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.298 X(o=-0.3,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= -0.139 USER MOD Single : A 55 SER OG : rot 36:sc= 0.825 USER MOD Single : A 56 LYS NZ :NH3+ 146:sc= 0.277 (180deg=0.0142) USER MOD Single : A 59 LYS NZ :NH3+ -166:sc= 0.0267 (180deg=0.00775) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00948) USER MOD Single : A 75 LYS NZ :NH3+ -171:sc= -0.0126 (180deg=-0.112) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.152 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.566 K(o=-0.57,f=-4.5!) USER MOD Single : A 83 HIS : no HE2:sc= -1.68! C(o=-1.7!,f=-4.4!) USER MOD Single : A 86 HIS : no HE2:sc= 0.0601 X(o=0.06,f=-0.27) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 25 -12.240 13.788 5.030 1.00 0.00 N ATOM 38 CA ILE A 25 -11.184 12.788 5.253 1.00 0.00 C ATOM 39 C ILE A 25 -10.393 12.592 3.940 1.00 0.00 C ATOM 40 O ILE A 25 -10.923 12.857 2.845 1.00 0.00 O ATOM 41 CB ILE A 25 -11.808 11.432 5.769 1.00 0.00 C ATOM 42 CG1 ILE A 25 -10.750 10.601 6.552 1.00 0.00 C ATOM 43 CG2 ILE A 25 -12.435 10.596 4.619 1.00 0.00 C ATOM 44 CD1 ILE A 25 -11.298 9.388 7.266 1.00 0.00 C ATOM 0 HA ILE A 25 -10.497 13.137 6.024 1.00 0.00 H new ATOM 0 HB ILE A 25 -12.619 11.690 6.450 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.976 10.277 5.856 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -10.269 11.249 7.284 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -12.850 9.673 5.025 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -13.228 11.172 4.141 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -11.667 10.356 3.884 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -10.488 8.873 7.783 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -12.050 9.701 7.991 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -11.752 8.713 6.541 1.00 0.00 H new ATOM 56 N MET A 26 -9.122 12.169 4.039 1.00 0.00 N ATOM 57 CA MET A 26 -8.237 12.074 2.867 1.00 0.00 C ATOM 58 C MET A 26 -8.471 10.744 2.133 1.00 0.00 C ATOM 59 O MET A 26 -8.219 9.661 2.673 1.00 0.00 O ATOM 60 CB MET A 26 -6.754 12.232 3.278 1.00 0.00 C ATOM 61 CG MET A 26 -5.789 12.306 2.089 1.00 0.00 C ATOM 62 SD MET A 26 -4.105 12.726 2.574 1.00 0.00 S ATOM 63 CE MET A 26 -3.682 11.333 3.607 1.00 0.00 C ATOM 0 H MET A 26 -8.685 11.888 4.917 1.00 0.00 H new ATOM 0 HA MET A 26 -8.476 12.890 2.185 1.00 0.00 H new ATOM 0 HB2 MET A 26 -6.647 13.136 3.878 1.00 0.00 H new ATOM 0 HB3 MET A 26 -6.471 11.392 3.913 1.00 0.00 H new ATOM 0 HG2 MET A 26 -5.784 11.346 1.572 1.00 0.00 H new ATOM 0 HG3 MET A 26 -6.153 13.049 1.379 1.00 0.00 H new ATOM 0 HE1 MET A 26 -2.716 11.511 4.080 1.00 0.00 H new ATOM 0 HE2 MET A 26 -4.444 11.205 4.375 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.627 10.431 2.997 1.00 0.00 H new ATOM 73 N LYS A 27 -8.980 10.861 0.900 1.00 0.00 N ATOM 74 CA LYS A 27 -9.345 9.725 0.046 1.00 0.00 C ATOM 75 C LYS A 27 -8.102 9.298 -0.755 1.00 0.00 C ATOM 76 O LYS A 27 -7.705 9.987 -1.700 1.00 0.00 O ATOM 77 CB LYS A 27 -10.518 10.154 -0.897 1.00 0.00 C ATOM 78 CG LYS A 27 -11.631 10.990 -0.201 1.00 0.00 C ATOM 79 CD LYS A 27 -12.393 10.210 0.886 1.00 0.00 C ATOM 80 CE LYS A 27 -13.339 9.158 0.298 1.00 0.00 C ATOM 81 NZ LYS A 27 -13.798 8.198 1.330 1.00 0.00 N ATOM 0 H LYS A 27 -9.153 11.765 0.460 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.683 8.877 0.641 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.109 10.734 -1.724 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.968 9.259 -1.327 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.183 11.877 0.246 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.340 11.336 -0.954 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.677 9.721 1.547 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.966 10.909 1.496 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -14.202 9.653 -0.149 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.832 8.618 -0.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.796 7.957 1.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.220 7.334 1.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.700 8.628 2.272 1.00 0.00 H new ATOM 95 N VAL A 28 -7.446 8.215 -0.323 1.00 0.00 N ATOM 96 CA VAL A 28 -6.216 7.711 -0.963 1.00 0.00 C ATOM 97 C VAL A 28 -6.541 6.455 -1.789 1.00 0.00 C ATOM 98 O VAL A 28 -6.812 5.393 -1.220 1.00 0.00 O ATOM 99 CB VAL A 28 -5.109 7.362 0.111 1.00 0.00 C ATOM 100 CG1 VAL A 28 -3.761 7.004 -0.555 1.00 0.00 C ATOM 101 CG2 VAL A 28 -4.948 8.504 1.137 1.00 0.00 C ATOM 0 H VAL A 28 -7.749 7.661 0.478 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.827 8.495 -1.612 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.445 6.477 0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.026 6.770 0.215 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.894 6.139 -1.204 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.411 7.850 -1.146 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.180 8.236 1.863 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.656 9.418 0.621 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.894 8.666 1.653 1.00 0.00 H new ATOM 111 N THR A 29 -6.502 6.576 -3.125 1.00 0.00 N ATOM 112 CA THR A 29 -6.684 5.428 -4.019 1.00 0.00 C ATOM 113 C THR A 29 -5.336 4.706 -4.174 1.00 0.00 C ATOM 114 O THR A 29 -4.303 5.348 -4.298 1.00 0.00 O ATOM 115 CB THR A 29 -7.235 5.873 -5.418 1.00 0.00 C ATOM 116 OG1 THR A 29 -8.431 6.649 -5.240 1.00 0.00 O ATOM 117 CG2 THR A 29 -7.554 4.664 -6.325 1.00 0.00 C ATOM 0 H THR A 29 -6.346 7.461 -3.608 1.00 0.00 H new ATOM 0 HA THR A 29 -7.420 4.752 -3.585 1.00 0.00 H new ATOM 0 HB THR A 29 -6.459 6.467 -5.902 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.773 6.928 -6.115 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.933 5.018 -7.284 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.647 4.081 -6.486 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.307 4.039 -5.846 1.00 0.00 H new ATOM 125 N VAL A 30 -5.361 3.371 -4.102 1.00 0.00 N ATOM 126 CA VAL A 30 -4.188 2.500 -4.238 1.00 0.00 C ATOM 127 C VAL A 30 -4.486 1.459 -5.324 1.00 0.00 C ATOM 128 O VAL A 30 -5.435 0.677 -5.197 1.00 0.00 O ATOM 129 CB VAL A 30 -3.852 1.792 -2.873 1.00 0.00 C ATOM 130 CG1 VAL A 30 -2.731 0.737 -3.013 1.00 0.00 C ATOM 131 CG2 VAL A 30 -3.482 2.832 -1.796 1.00 0.00 C ATOM 0 H VAL A 30 -6.224 2.851 -3.943 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.319 3.096 -4.518 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.753 1.263 -2.562 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.539 0.279 -2.043 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.041 -0.031 -3.722 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.822 1.218 -3.374 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.253 2.321 -0.860 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.610 3.399 -2.122 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.320 3.511 -1.643 1.00 0.00 H new ATOM 141 N LYS A 31 -3.681 1.490 -6.387 1.00 0.00 N ATOM 142 CA LYS A 31 -3.822 0.617 -7.559 1.00 0.00 C ATOM 143 C LYS A 31 -2.836 -0.561 -7.430 1.00 0.00 C ATOM 144 O LYS A 31 -1.658 -0.362 -7.132 1.00 0.00 O ATOM 145 CB LYS A 31 -3.569 1.477 -8.835 1.00 0.00 C ATOM 146 CG LYS A 31 -3.764 0.766 -10.203 1.00 0.00 C ATOM 147 CD LYS A 31 -2.527 -0.043 -10.675 1.00 0.00 C ATOM 148 CE LYS A 31 -2.693 -0.603 -12.092 1.00 0.00 C ATOM 149 NZ LYS A 31 -2.823 0.479 -13.100 1.00 0.00 N ATOM 0 H LYS A 31 -2.895 2.136 -6.461 1.00 0.00 H new ATOM 0 HA LYS A 31 -4.823 0.191 -7.630 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.234 2.340 -8.802 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.549 1.859 -8.792 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.620 0.094 -10.133 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.006 1.514 -10.958 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.645 0.597 -10.643 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.350 -0.865 -9.982 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.835 -1.228 -12.339 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.575 -1.243 -12.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.696 0.083 -14.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.767 0.910 -13.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.098 1.204 -12.927 1.00 0.00 H new ATOM 163 N THR A 32 -3.342 -1.786 -7.655 1.00 0.00 N ATOM 164 CA THR A 32 -2.575 -3.043 -7.496 1.00 0.00 C ATOM 165 C THR A 32 -2.669 -3.873 -8.799 1.00 0.00 C ATOM 166 O THR A 32 -3.468 -3.523 -9.686 1.00 0.00 O ATOM 167 CB THR A 32 -3.118 -3.878 -6.267 1.00 0.00 C ATOM 168 OG1 THR A 32 -4.335 -4.565 -6.596 1.00 0.00 O ATOM 169 CG2 THR A 32 -3.380 -2.988 -5.051 1.00 0.00 C ATOM 0 H THR A 32 -4.305 -1.937 -7.956 1.00 0.00 H new ATOM 0 HA THR A 32 -1.531 -2.799 -7.301 1.00 0.00 H new ATOM 0 HB THR A 32 -2.341 -4.603 -6.024 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.042 -3.910 -6.774 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.752 -3.597 -4.227 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.453 -2.500 -4.751 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.122 -2.232 -5.307 1.00 0.00 H new ATOM 177 N PRO A 33 -1.842 -4.970 -8.967 1.00 0.00 N ATOM 178 CA PRO A 33 -1.964 -5.885 -10.137 1.00 0.00 C ATOM 179 C PRO A 33 -3.306 -6.662 -10.156 1.00 0.00 C ATOM 180 O PRO A 33 -3.655 -7.283 -11.165 1.00 0.00 O ATOM 181 CB PRO A 33 -0.738 -6.824 -9.980 1.00 0.00 C ATOM 182 CG PRO A 33 -0.435 -6.806 -8.514 1.00 0.00 C ATOM 183 CD PRO A 33 -0.709 -5.388 -8.081 1.00 0.00 C ATOM 0 HA PRO A 33 -1.971 -5.350 -11.087 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.964 -7.833 -10.326 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.111 -6.469 -10.565 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.062 -7.513 -7.972 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.601 -7.085 -8.321 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.982 -5.335 -7.027 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.164 -4.750 -8.217 1.00 0.00 H new ATOM 191 N LYS A 34 -4.040 -6.621 -9.025 1.00 0.00 N ATOM 192 CA LYS A 34 -5.397 -7.184 -8.919 1.00 0.00 C ATOM 193 C LYS A 34 -6.410 -6.140 -9.430 1.00 0.00 C ATOM 194 O LYS A 34 -7.059 -6.326 -10.467 1.00 0.00 O ATOM 195 CB LYS A 34 -5.738 -7.586 -7.444 1.00 0.00 C ATOM 196 CG LYS A 34 -4.929 -8.770 -6.851 1.00 0.00 C ATOM 197 CD LYS A 34 -3.459 -8.429 -6.508 1.00 0.00 C ATOM 198 CE LYS A 34 -2.710 -9.617 -5.878 1.00 0.00 C ATOM 199 NZ LYS A 34 -2.666 -10.793 -6.781 1.00 0.00 N ATOM 0 H LYS A 34 -3.706 -6.196 -8.160 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.449 -8.088 -9.525 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.585 -6.714 -6.808 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.798 -7.836 -7.394 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.429 -9.120 -5.948 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.942 -9.596 -7.562 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.941 -8.117 -7.415 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.436 -7.584 -5.820 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.693 -9.313 -5.630 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.196 -9.897 -4.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.040 -11.518 -6.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.624 -11.183 -6.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.303 -10.503 -7.711 1.00 0.00 H new ATOM 213 N GLU A 35 -6.478 -5.010 -8.702 1.00 0.00 N ATOM 214 CA GLU A 35 -7.463 -3.929 -8.929 1.00 0.00 C ATOM 215 C GLU A 35 -7.053 -2.664 -8.153 1.00 0.00 C ATOM 216 O GLU A 35 -6.051 -2.662 -7.449 1.00 0.00 O ATOM 217 CB GLU A 35 -8.879 -4.383 -8.476 1.00 0.00 C ATOM 218 CG GLU A 35 -8.958 -4.833 -6.999 1.00 0.00 C ATOM 219 CD GLU A 35 -10.382 -5.187 -6.557 1.00 0.00 C ATOM 220 OE1 GLU A 35 -10.916 -6.223 -7.006 1.00 0.00 O ATOM 221 OE2 GLU A 35 -10.986 -4.428 -5.767 1.00 0.00 O ATOM 0 H GLU A 35 -5.843 -4.817 -7.928 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.487 -3.703 -9.995 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.579 -3.562 -8.632 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.206 -5.205 -9.113 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.312 -5.699 -6.854 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.573 -4.037 -6.361 1.00 0.00 H new ATOM 228 N LYS A 36 -7.852 -1.592 -8.257 1.00 0.00 N ATOM 229 CA LYS A 36 -7.667 -0.385 -7.429 1.00 0.00 C ATOM 230 C LYS A 36 -8.698 -0.378 -6.287 1.00 0.00 C ATOM 231 O LYS A 36 -9.740 -1.048 -6.363 1.00 0.00 O ATOM 232 CB LYS A 36 -7.788 0.914 -8.276 1.00 0.00 C ATOM 233 CG LYS A 36 -9.164 1.113 -8.949 1.00 0.00 C ATOM 234 CD LYS A 36 -9.309 2.481 -9.652 1.00 0.00 C ATOM 235 CE LYS A 36 -8.277 2.712 -10.772 1.00 0.00 C ATOM 236 NZ LYS A 36 -8.492 4.013 -11.457 1.00 0.00 N ATOM 0 H LYS A 36 -8.635 -1.534 -8.908 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.661 -0.410 -7.010 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.584 1.771 -7.635 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.018 0.903 -9.048 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.322 0.319 -9.679 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.946 1.014 -8.196 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.312 2.560 -10.072 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.211 3.273 -8.910 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.272 2.684 -10.352 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.342 1.903 -11.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.779 4.134 -12.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.442 4.030 -11.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.405 4.787 -10.768 1.00 0.00 H new ATOM 250 N GLU A 37 -8.379 0.379 -5.232 1.00 0.00 N ATOM 251 CA GLU A 37 -9.215 0.489 -4.028 1.00 0.00 C ATOM 252 C GLU A 37 -9.032 1.878 -3.386 1.00 0.00 C ATOM 253 O GLU A 37 -7.994 2.496 -3.539 1.00 0.00 O ATOM 254 CB GLU A 37 -8.838 -0.641 -3.028 1.00 0.00 C ATOM 255 CG GLU A 37 -9.759 -0.759 -1.800 1.00 0.00 C ATOM 256 CD GLU A 37 -11.237 -0.966 -2.184 1.00 0.00 C ATOM 257 OE1 GLU A 37 -11.626 -2.102 -2.524 1.00 0.00 O ATOM 258 OE2 GLU A 37 -12.019 0.004 -2.147 1.00 0.00 O ATOM 0 H GLU A 37 -7.527 0.938 -5.188 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.265 0.376 -4.299 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.843 -1.592 -3.560 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.818 -0.474 -2.683 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.428 -1.593 -1.181 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.668 0.143 -1.194 1.00 0.00 H new ATOM 265 N GLU A 38 -10.055 2.348 -2.665 1.00 0.00 N ATOM 266 CA GLU A 38 -10.067 3.665 -2.014 1.00 0.00 C ATOM 267 C GLU A 38 -9.896 3.454 -0.501 1.00 0.00 C ATOM 268 O GLU A 38 -10.544 2.575 0.076 1.00 0.00 O ATOM 269 CB GLU A 38 -11.399 4.390 -2.381 1.00 0.00 C ATOM 270 CG GLU A 38 -11.576 5.837 -1.854 1.00 0.00 C ATOM 271 CD GLU A 38 -12.077 5.940 -0.404 1.00 0.00 C ATOM 272 OE1 GLU A 38 -13.212 5.491 -0.125 1.00 0.00 O ATOM 273 OE2 GLU A 38 -11.368 6.489 0.454 1.00 0.00 O ATOM 0 H GLU A 38 -10.912 1.817 -2.514 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.249 4.299 -2.355 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.486 4.411 -3.467 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.227 3.789 -2.007 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.620 6.356 -1.931 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -12.277 6.362 -2.503 1.00 0.00 H new ATOM 280 N PHE A 39 -9.017 4.254 0.125 1.00 0.00 N ATOM 281 CA PHE A 39 -8.697 4.165 1.561 1.00 0.00 C ATOM 282 C PHE A 39 -8.877 5.537 2.212 1.00 0.00 C ATOM 283 O PHE A 39 -8.099 6.465 1.954 1.00 0.00 O ATOM 284 CB PHE A 39 -7.252 3.663 1.795 1.00 0.00 C ATOM 285 CG PHE A 39 -7.000 2.236 1.328 1.00 0.00 C ATOM 286 CD1 PHE A 39 -7.221 1.159 2.183 1.00 0.00 C ATOM 287 CD2 PHE A 39 -6.561 1.972 0.033 1.00 0.00 C ATOM 288 CE1 PHE A 39 -7.008 -0.135 1.760 1.00 0.00 C ATOM 289 CE2 PHE A 39 -6.346 0.675 -0.390 1.00 0.00 C ATOM 290 CZ PHE A 39 -6.571 -0.378 0.474 1.00 0.00 C ATOM 0 H PHE A 39 -8.502 4.990 -0.357 1.00 0.00 H new ATOM 0 HA PHE A 39 -9.379 3.445 2.013 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.561 4.329 1.279 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -7.025 3.730 2.859 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -7.564 1.340 3.191 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.387 2.791 -0.649 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.183 -0.959 2.435 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.002 0.485 -1.396 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.405 -1.393 0.143 1.00 0.00 H new ATOM 300 N ALA A 40 -9.905 5.652 3.052 1.00 0.00 N ATOM 301 CA ALA A 40 -10.250 6.895 3.736 1.00 0.00 C ATOM 302 C ALA A 40 -9.481 6.964 5.057 1.00 0.00 C ATOM 303 O ALA A 40 -9.794 6.243 6.005 1.00 0.00 O ATOM 304 CB ALA A 40 -11.765 6.945 3.957 1.00 0.00 C ATOM 0 H ALA A 40 -10.527 4.876 3.278 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.971 7.759 3.134 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -12.028 7.871 4.468 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.275 6.904 2.994 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -12.072 6.095 4.567 1.00 0.00 H new ATOM 310 N VAL A 41 -8.448 7.813 5.091 1.00 0.00 N ATOM 311 CA VAL A 41 -7.531 7.945 6.239 1.00 0.00 C ATOM 312 C VAL A 41 -7.481 9.425 6.674 1.00 0.00 C ATOM 313 O VAL A 41 -7.483 10.312 5.818 1.00 0.00 O ATOM 314 CB VAL A 41 -6.081 7.397 5.913 1.00 0.00 C ATOM 315 CG1 VAL A 41 -6.118 5.882 5.592 1.00 0.00 C ATOM 316 CG2 VAL A 41 -5.401 8.182 4.766 1.00 0.00 C ATOM 0 H VAL A 41 -8.219 8.436 4.317 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.911 7.334 7.058 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.478 7.547 6.809 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.109 5.532 5.372 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.512 5.338 6.450 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.759 5.709 4.727 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.410 7.769 4.580 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.004 8.100 3.862 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.310 9.231 5.047 1.00 0.00 H new ATOM 326 N PRO A 42 -7.486 9.729 8.014 1.00 0.00 N ATOM 327 CA PRO A 42 -7.530 11.128 8.527 1.00 0.00 C ATOM 328 C PRO A 42 -6.137 11.810 8.517 1.00 0.00 C ATOM 329 O PRO A 42 -5.738 12.438 9.504 1.00 0.00 O ATOM 330 CB PRO A 42 -8.080 10.914 9.956 1.00 0.00 C ATOM 331 CG PRO A 42 -7.495 9.603 10.381 1.00 0.00 C ATOM 332 CD PRO A 42 -7.474 8.741 9.134 1.00 0.00 C ATOM 0 HA PRO A 42 -8.135 11.802 7.920 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.778 11.720 10.624 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.170 10.885 9.963 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.491 9.734 10.783 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -8.095 9.142 11.166 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -6.586 8.109 9.100 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -8.339 8.079 9.092 1.00 0.00 H new ATOM 340 N GLU A 43 -5.430 11.691 7.364 1.00 0.00 N ATOM 341 CA GLU A 43 -4.018 12.135 7.131 1.00 0.00 C ATOM 342 C GLU A 43 -3.058 11.803 8.301 1.00 0.00 C ATOM 343 O GLU A 43 -1.999 12.422 8.456 1.00 0.00 O ATOM 344 CB GLU A 43 -3.942 13.636 6.698 1.00 0.00 C ATOM 345 CG GLU A 43 -4.327 14.679 7.768 1.00 0.00 C ATOM 346 CD GLU A 43 -4.089 16.128 7.310 1.00 0.00 C ATOM 347 OE1 GLU A 43 -2.953 16.632 7.469 1.00 0.00 O ATOM 348 OE2 GLU A 43 -5.022 16.760 6.770 1.00 0.00 O ATOM 0 H GLU A 43 -5.839 11.266 6.532 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.655 11.541 6.292 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.925 13.845 6.368 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.593 13.776 5.835 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.378 14.554 8.027 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.751 14.491 8.674 1.00 0.00 H new ATOM 355 N ASN A 44 -3.415 10.753 9.057 1.00 0.00 N ATOM 356 CA ASN A 44 -2.685 10.307 10.253 1.00 0.00 C ATOM 357 C ASN A 44 -1.880 9.046 9.924 1.00 0.00 C ATOM 358 O ASN A 44 -0.771 8.858 10.427 1.00 0.00 O ATOM 359 CB ASN A 44 -3.693 10.032 11.407 1.00 0.00 C ATOM 360 CG ASN A 44 -3.044 9.602 12.735 1.00 0.00 C ATOM 361 OD1 ASN A 44 -3.601 8.783 13.471 1.00 0.00 O ATOM 362 ND2 ASN A 44 -1.902 10.184 13.091 1.00 0.00 N ATOM 0 H ASN A 44 -4.233 10.180 8.850 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.993 11.086 10.574 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -4.282 10.933 11.580 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.387 9.254 11.088 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.471 9.956 13.987 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.457 10.858 12.468 1.00 0.00 H new ATOM 369 N SER A 45 -2.457 8.207 9.048 1.00 0.00 N ATOM 370 CA SER A 45 -1.871 6.932 8.648 1.00 0.00 C ATOM 371 C SER A 45 -0.569 7.139 7.847 1.00 0.00 C ATOM 372 O SER A 45 -0.600 7.547 6.676 1.00 0.00 O ATOM 373 CB SER A 45 -2.901 6.127 7.825 1.00 0.00 C ATOM 374 OG SER A 45 -4.131 6.022 8.523 1.00 0.00 O ATOM 0 H SER A 45 -3.351 8.403 8.598 1.00 0.00 H new ATOM 0 HA SER A 45 -1.612 6.370 9.546 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.064 6.612 6.863 1.00 0.00 H new ATOM 0 HB3 SER A 45 -2.509 5.131 7.617 1.00 0.00 H new ATOM 0 HG SER A 45 -4.770 5.510 7.984 1.00 0.00 H new ATOM 380 N SER A 46 0.575 6.913 8.522 1.00 0.00 N ATOM 381 CA SER A 46 1.885 6.737 7.862 1.00 0.00 C ATOM 382 C SER A 46 1.847 5.464 7.006 1.00 0.00 C ATOM 383 O SER A 46 0.927 4.676 7.169 1.00 0.00 O ATOM 384 CB SER A 46 2.987 6.628 8.942 1.00 0.00 C ATOM 385 OG SER A 46 2.721 5.560 9.844 1.00 0.00 O ATOM 0 H SER A 46 0.618 6.847 9.539 1.00 0.00 H new ATOM 0 HA SER A 46 2.103 7.591 7.220 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.954 6.471 8.464 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.053 7.566 9.494 1.00 0.00 H new ATOM 0 HG SER A 46 3.434 5.513 10.515 1.00 0.00 H new ATOM 391 N VAL A 47 2.836 5.240 6.120 1.00 0.00 N ATOM 392 CA VAL A 47 2.888 3.995 5.314 1.00 0.00 C ATOM 393 C VAL A 47 2.940 2.747 6.249 1.00 0.00 C ATOM 394 O VAL A 47 2.372 1.706 5.930 1.00 0.00 O ATOM 395 CB VAL A 47 4.093 4.012 4.307 1.00 0.00 C ATOM 396 CG1 VAL A 47 4.236 2.671 3.542 1.00 0.00 C ATOM 397 CG2 VAL A 47 3.964 5.207 3.319 1.00 0.00 C ATOM 0 H VAL A 47 3.601 5.891 5.942 1.00 0.00 H new ATOM 0 HA VAL A 47 1.977 3.936 4.718 1.00 0.00 H new ATOM 0 HB VAL A 47 5.003 4.141 4.892 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.082 2.731 2.858 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.401 1.862 4.254 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.325 2.476 2.976 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.808 5.202 2.629 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.035 5.115 2.756 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.958 6.143 3.878 1.00 0.00 H new ATOM 407 N GLN A 48 3.589 2.913 7.425 1.00 0.00 N ATOM 408 CA GLN A 48 3.583 1.931 8.542 1.00 0.00 C ATOM 409 C GLN A 48 2.152 1.571 8.999 1.00 0.00 C ATOM 410 O GLN A 48 1.850 0.406 9.231 1.00 0.00 O ATOM 411 CB GLN A 48 4.403 2.500 9.741 1.00 0.00 C ATOM 412 CG GLN A 48 4.468 1.619 11.023 1.00 0.00 C ATOM 413 CD GLN A 48 5.281 0.317 10.889 1.00 0.00 C ATOM 414 OE1 GLN A 48 5.372 -0.283 9.823 1.00 0.00 O ATOM 415 NE2 GLN A 48 5.873 -0.137 11.980 1.00 0.00 N ATOM 0 H GLN A 48 4.141 3.745 7.631 1.00 0.00 H new ATOM 0 HA GLN A 48 4.043 1.012 8.178 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.422 2.682 9.401 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.981 3.467 10.014 1.00 0.00 H new ATOM 0 HG2 GLN A 48 4.896 2.213 11.830 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.451 1.363 11.320 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.787 0.375 12.858 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.416 -0.999 11.944 1.00 0.00 H new ATOM 424 N GLN A 49 1.283 2.581 9.133 1.00 0.00 N ATOM 425 CA GLN A 49 -0.115 2.393 9.585 1.00 0.00 C ATOM 426 C GLN A 49 -1.071 2.117 8.396 1.00 0.00 C ATOM 427 O GLN A 49 -2.167 1.576 8.576 1.00 0.00 O ATOM 428 CB GLN A 49 -0.562 3.651 10.374 1.00 0.00 C ATOM 429 CG GLN A 49 -1.983 3.582 10.978 1.00 0.00 C ATOM 430 CD GLN A 49 -2.375 4.827 11.775 1.00 0.00 C ATOM 431 OE1 GLN A 49 -1.535 5.484 12.382 1.00 0.00 O ATOM 432 NE2 GLN A 49 -3.651 5.161 11.776 1.00 0.00 N ATOM 0 H GLN A 49 1.522 3.552 8.933 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.160 1.518 10.233 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.150 3.825 11.181 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.509 4.514 9.710 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.703 3.435 10.173 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.050 2.710 11.628 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.327 4.595 11.262 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.962 5.985 12.291 1.00 0.00 H new ATOM 441 N PHE A 50 -0.623 2.457 7.184 1.00 0.00 N ATOM 442 CA PHE A 50 -1.474 2.462 5.983 1.00 0.00 C ATOM 443 C PHE A 50 -1.477 1.098 5.287 1.00 0.00 C ATOM 444 O PHE A 50 -2.524 0.648 4.810 1.00 0.00 O ATOM 445 CB PHE A 50 -1.011 3.569 5.012 1.00 0.00 C ATOM 446 CG PHE A 50 -1.912 3.735 3.798 1.00 0.00 C ATOM 447 CD1 PHE A 50 -3.172 4.314 3.929 1.00 0.00 C ATOM 448 CD2 PHE A 50 -1.506 3.314 2.535 1.00 0.00 C ATOM 449 CE1 PHE A 50 -3.995 4.459 2.836 1.00 0.00 C ATOM 450 CE2 PHE A 50 -2.331 3.457 1.447 1.00 0.00 C ATOM 451 CZ PHE A 50 -3.574 4.035 1.595 1.00 0.00 C ATOM 0 H PHE A 50 0.341 2.738 7.004 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.498 2.669 6.296 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.964 4.516 5.550 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.001 3.344 4.674 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.506 4.653 4.898 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.530 2.869 2.409 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.972 4.906 2.951 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.006 3.117 0.475 1.00 0.00 H new ATOM 0 HZ PHE A 50 -4.218 4.155 0.737 1.00 0.00 H new ATOM 461 N LYS A 51 -0.301 0.442 5.216 1.00 0.00 N ATOM 462 CA LYS A 51 -0.187 -0.889 4.582 1.00 0.00 C ATOM 463 C LYS A 51 -0.878 -1.963 5.462 1.00 0.00 C ATOM 464 O LYS A 51 -1.164 -3.060 5.002 1.00 0.00 O ATOM 465 CB LYS A 51 1.298 -1.223 4.185 1.00 0.00 C ATOM 466 CG LYS A 51 2.175 -2.040 5.170 1.00 0.00 C ATOM 467 CD LYS A 51 2.329 -1.424 6.579 1.00 0.00 C ATOM 468 CE LYS A 51 3.494 -2.048 7.375 1.00 0.00 C ATOM 469 NZ LYS A 51 3.386 -1.797 8.830 1.00 0.00 N ATOM 0 H LYS A 51 0.576 0.807 5.586 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.724 -0.883 3.634 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.272 -1.766 3.240 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.808 -0.279 3.996 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.747 -3.037 5.272 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.166 -2.162 4.734 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.491 -0.350 6.486 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.401 -1.559 7.134 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.517 -3.123 7.196 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.438 -1.643 7.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.304 -1.473 9.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.666 -1.067 9.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.112 -2.675 9.314 1.00 0.00 H new ATOM 483 N GLU A 52 -1.134 -1.597 6.738 1.00 0.00 N ATOM 484 CA GLU A 52 -2.004 -2.347 7.670 1.00 0.00 C ATOM 485 C GLU A 52 -3.459 -2.369 7.148 1.00 0.00 C ATOM 486 O GLU A 52 -4.124 -3.413 7.137 1.00 0.00 O ATOM 487 CB GLU A 52 -1.973 -1.661 9.063 1.00 0.00 C ATOM 488 CG GLU A 52 -0.576 -1.532 9.694 1.00 0.00 C ATOM 489 CD GLU A 52 0.004 -2.862 10.189 1.00 0.00 C ATOM 490 OE1 GLU A 52 -0.537 -3.419 11.161 1.00 0.00 O ATOM 491 OE2 GLU A 52 1.003 -3.354 9.623 1.00 0.00 O ATOM 0 H GLU A 52 -0.734 -0.757 7.156 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.639 -3.371 7.748 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.407 -0.665 8.970 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.612 -2.225 9.743 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.105 -1.100 8.961 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.628 -0.835 10.531 1.00 0.00 H new ATOM 498 N GLU A 53 -3.926 -1.176 6.716 1.00 0.00 N ATOM 499 CA GLU A 53 -5.291 -0.959 6.172 1.00 0.00 C ATOM 500 C GLU A 53 -5.461 -1.680 4.829 1.00 0.00 C ATOM 501 O GLU A 53 -6.549 -2.166 4.500 1.00 0.00 O ATOM 502 CB GLU A 53 -5.563 0.566 6.006 1.00 0.00 C ATOM 503 CG GLU A 53 -5.232 1.418 7.253 1.00 0.00 C ATOM 504 CD GLU A 53 -6.045 1.028 8.504 1.00 0.00 C ATOM 505 OE1 GLU A 53 -5.649 0.106 9.243 1.00 0.00 O ATOM 506 OE2 GLU A 53 -7.089 1.650 8.754 1.00 0.00 O ATOM 0 H GLU A 53 -3.362 -0.326 6.734 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.014 -1.373 6.875 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.979 0.936 5.164 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.614 0.709 5.753 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.170 1.321 7.476 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.416 2.468 7.024 1.00 0.00 H new ATOM 513 N ILE A 54 -4.363 -1.723 4.064 1.00 0.00 N ATOM 514 CA ILE A 54 -4.284 -2.472 2.805 1.00 0.00 C ATOM 515 C ILE A 54 -4.321 -3.993 3.080 1.00 0.00 C ATOM 516 O ILE A 54 -4.968 -4.747 2.355 1.00 0.00 O ATOM 517 CB ILE A 54 -2.967 -2.114 2.028 1.00 0.00 C ATOM 518 CG1 ILE A 54 -2.914 -0.595 1.655 1.00 0.00 C ATOM 519 CG2 ILE A 54 -2.806 -2.991 0.773 1.00 0.00 C ATOM 520 CD1 ILE A 54 -1.617 -0.158 0.984 1.00 0.00 C ATOM 0 H ILE A 54 -3.499 -1.236 4.303 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.143 -2.195 2.194 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.131 -2.321 2.696 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.748 -0.367 0.991 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.057 -0.005 2.561 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.886 -2.720 0.256 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.763 -4.040 1.065 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.655 -2.834 0.108 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.665 0.908 0.760 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.778 -0.351 1.653 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.479 -0.718 0.059 1.00 0.00 H new ATOM 532 N SER A 55 -3.619 -4.410 4.146 1.00 0.00 N ATOM 533 CA SER A 55 -3.433 -5.826 4.511 1.00 0.00 C ATOM 534 C SER A 55 -4.780 -6.520 4.779 1.00 0.00 C ATOM 535 O SER A 55 -5.047 -7.609 4.263 1.00 0.00 O ATOM 536 CB SER A 55 -2.503 -5.916 5.744 1.00 0.00 C ATOM 537 OG SER A 55 -2.163 -7.251 6.078 1.00 0.00 O ATOM 0 H SER A 55 -3.158 -3.765 4.788 1.00 0.00 H new ATOM 0 HA SER A 55 -2.970 -6.348 3.674 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.591 -5.352 5.548 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.992 -5.446 6.597 1.00 0.00 H new ATOM 0 HG SER A 55 -2.067 -7.779 5.258 1.00 0.00 H new ATOM 543 N LYS A 56 -5.623 -5.843 5.573 1.00 0.00 N ATOM 544 CA LYS A 56 -6.963 -6.332 5.952 1.00 0.00 C ATOM 545 C LYS A 56 -7.958 -6.241 4.775 1.00 0.00 C ATOM 546 O LYS A 56 -8.971 -6.952 4.756 1.00 0.00 O ATOM 547 CB LYS A 56 -7.474 -5.526 7.181 1.00 0.00 C ATOM 548 CG LYS A 56 -7.613 -4.007 6.931 1.00 0.00 C ATOM 549 CD LYS A 56 -7.996 -3.189 8.189 1.00 0.00 C ATOM 550 CE LYS A 56 -6.911 -3.205 9.278 1.00 0.00 C ATOM 551 NZ LYS A 56 -7.236 -2.291 10.405 1.00 0.00 N ATOM 0 H LYS A 56 -5.395 -4.934 5.975 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.888 -7.386 6.218 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.443 -5.923 7.484 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.790 -5.684 8.015 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.670 -3.627 6.538 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.368 -3.844 6.162 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.193 -2.157 7.897 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.923 -3.585 8.603 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.794 -4.220 9.657 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.955 -2.916 8.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.883 -2.698 11.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.786 -1.367 10.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.267 -2.168 10.466 1.00 0.00 H new ATOM 565 N ARG A 57 -7.654 -5.365 3.800 1.00 0.00 N ATOM 566 CA ARG A 57 -8.520 -5.140 2.629 1.00 0.00 C ATOM 567 C ARG A 57 -8.309 -6.242 1.567 1.00 0.00 C ATOM 568 O ARG A 57 -9.240 -6.984 1.232 1.00 0.00 O ATOM 569 CB ARG A 57 -8.251 -3.732 2.026 1.00 0.00 C ATOM 570 CG ARG A 57 -9.269 -3.293 0.949 1.00 0.00 C ATOM 571 CD ARG A 57 -10.701 -3.189 1.507 1.00 0.00 C ATOM 572 NE ARG A 57 -11.693 -2.865 0.467 1.00 0.00 N ATOM 573 CZ ARG A 57 -12.911 -2.341 0.693 1.00 0.00 C ATOM 574 NH1 ARG A 57 -13.310 -2.035 1.917 1.00 0.00 N ATOM 575 NH2 ARG A 57 -13.730 -2.121 -0.321 1.00 0.00 N ATOM 0 H ARG A 57 -6.807 -4.797 3.801 1.00 0.00 H new ATOM 0 HA ARG A 57 -9.559 -5.186 2.954 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.254 -2.998 2.832 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.252 -3.722 1.590 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.969 -2.328 0.541 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.253 -4.006 0.125 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.972 -4.133 1.980 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.730 -2.423 2.282 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.436 -3.053 -0.502 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.690 -2.196 2.711 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -14.238 -1.638 2.067 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.438 -2.349 -1.271 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.654 -1.724 -0.153 1.00 0.00 H new ATOM 589 N PHE A 58 -7.065 -6.351 1.072 1.00 0.00 N ATOM 590 CA PHE A 58 -6.680 -7.301 0.002 1.00 0.00 C ATOM 591 C PHE A 58 -6.424 -8.718 0.552 1.00 0.00 C ATOM 592 O PHE A 58 -6.143 -9.634 -0.236 1.00 0.00 O ATOM 593 CB PHE A 58 -5.431 -6.770 -0.760 1.00 0.00 C ATOM 594 CG PHE A 58 -5.720 -5.532 -1.616 1.00 0.00 C ATOM 595 CD1 PHE A 58 -5.627 -4.247 -1.079 1.00 0.00 C ATOM 596 CD2 PHE A 58 -6.104 -5.659 -2.952 1.00 0.00 C ATOM 597 CE1 PHE A 58 -5.905 -3.133 -1.849 1.00 0.00 C ATOM 598 CE2 PHE A 58 -6.387 -4.546 -3.720 1.00 0.00 C ATOM 599 CZ PHE A 58 -6.285 -3.283 -3.167 1.00 0.00 C ATOM 0 H PHE A 58 -6.288 -5.779 1.403 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.516 -7.375 -0.693 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.650 -6.529 -0.039 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -5.041 -7.562 -1.400 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.334 -4.121 -0.047 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.181 -6.642 -3.392 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.825 -2.146 -1.419 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.687 -4.662 -4.751 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.503 -2.412 -3.768 1.00 0.00 H new ATOM 609 N LYS A 59 -6.504 -8.879 1.901 1.00 0.00 N ATOM 610 CA LYS A 59 -6.331 -10.181 2.602 1.00 0.00 C ATOM 611 C LYS A 59 -4.916 -10.745 2.360 1.00 0.00 C ATOM 612 O LYS A 59 -4.700 -11.959 2.365 1.00 0.00 O ATOM 613 CB LYS A 59 -7.441 -11.194 2.188 1.00 0.00 C ATOM 614 CG LYS A 59 -8.881 -10.655 2.331 1.00 0.00 C ATOM 615 CD LYS A 59 -9.274 -10.333 3.785 1.00 0.00 C ATOM 616 CE LYS A 59 -10.683 -9.723 3.880 1.00 0.00 C ATOM 617 NZ LYS A 59 -11.031 -9.352 5.270 1.00 0.00 N ATOM 0 H LYS A 59 -6.692 -8.103 2.536 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.438 -10.012 3.673 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.278 -11.490 1.152 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.340 -12.093 2.796 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.985 -9.754 1.727 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.578 -11.391 1.929 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -9.232 -11.244 4.382 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.549 -9.639 4.211 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.740 -8.840 3.243 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.414 -10.437 3.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.053 -9.170 5.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -10.776 -10.130 5.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.509 -8.494 5.541 1.00 0.00 H new ATOM 631 N SER A 60 -3.965 -9.822 2.186 1.00 0.00 N ATOM 632 CA SER A 60 -2.555 -10.121 1.929 1.00 0.00 C ATOM 633 C SER A 60 -1.708 -9.494 3.033 1.00 0.00 C ATOM 634 O SER A 60 -1.988 -8.377 3.458 1.00 0.00 O ATOM 635 CB SER A 60 -2.135 -9.560 0.559 1.00 0.00 C ATOM 636 OG SER A 60 -0.744 -9.743 0.339 1.00 0.00 O ATOM 0 H SER A 60 -4.161 -8.822 2.221 1.00 0.00 H new ATOM 0 HA SER A 60 -2.406 -11.201 1.920 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.700 -10.056 -0.230 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.379 -8.499 0.506 1.00 0.00 H new ATOM 0 HG SER A 60 -0.474 -10.626 0.668 1.00 0.00 H new ATOM 642 N HIS A 61 -0.656 -10.201 3.462 1.00 0.00 N ATOM 643 CA HIS A 61 0.204 -9.759 4.579 1.00 0.00 C ATOM 644 C HIS A 61 1.051 -8.534 4.183 1.00 0.00 C ATOM 645 O HIS A 61 1.366 -8.348 3.005 1.00 0.00 O ATOM 646 CB HIS A 61 1.101 -10.920 5.069 1.00 0.00 C ATOM 647 CG HIS A 61 0.356 -11.971 5.849 1.00 0.00 C ATOM 648 ND1 HIS A 61 0.404 -13.311 5.551 1.00 0.00 N ATOM 649 CD2 HIS A 61 -0.434 -11.862 6.949 1.00 0.00 C ATOM 650 CE1 HIS A 61 -0.314 -13.978 6.429 1.00 0.00 C ATOM 651 NE2 HIS A 61 -0.837 -13.125 7.283 1.00 0.00 N ATOM 0 H HIS A 61 -0.374 -11.091 3.051 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.443 -9.458 5.402 1.00 0.00 H new ATOM 0 HB2 HIS A 61 1.577 -11.388 4.208 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.898 -10.514 5.692 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.695 -10.949 7.463 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.451 -15.049 6.446 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -1.444 -13.366 8.066 1.00 0.00 H new ATOM 660 N THR A 62 1.418 -7.727 5.196 1.00 0.00 N ATOM 661 CA THR A 62 2.114 -6.434 5.016 1.00 0.00 C ATOM 662 C THR A 62 3.526 -6.593 4.408 1.00 0.00 C ATOM 663 O THR A 62 4.022 -5.691 3.719 1.00 0.00 O ATOM 664 CB THR A 62 2.207 -5.681 6.379 1.00 0.00 C ATOM 665 OG1 THR A 62 2.804 -6.537 7.370 1.00 0.00 O ATOM 666 CG2 THR A 62 0.830 -5.204 6.867 1.00 0.00 C ATOM 0 H THR A 62 1.239 -7.955 6.174 1.00 0.00 H new ATOM 0 HA THR A 62 1.523 -5.853 4.308 1.00 0.00 H new ATOM 0 HB THR A 62 2.829 -4.799 6.227 1.00 0.00 H new ATOM 0 HG1 THR A 62 2.862 -6.059 8.223 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.941 -4.685 7.819 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.399 -4.525 6.132 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.172 -6.063 6.997 1.00 0.00 H new ATOM 674 N ASP A 63 4.160 -7.747 4.666 1.00 0.00 N ATOM 675 CA ASP A 63 5.500 -8.061 4.137 1.00 0.00 C ATOM 676 C ASP A 63 5.428 -8.435 2.640 1.00 0.00 C ATOM 677 O ASP A 63 6.440 -8.414 1.938 1.00 0.00 O ATOM 678 CB ASP A 63 6.151 -9.188 4.977 1.00 0.00 C ATOM 679 CG ASP A 63 7.654 -9.368 4.692 1.00 0.00 C ATOM 680 OD1 ASP A 63 8.446 -8.499 5.113 1.00 0.00 O ATOM 681 OD2 ASP A 63 8.049 -10.351 4.031 1.00 0.00 O ATOM 0 H ASP A 63 3.762 -8.487 5.244 1.00 0.00 H new ATOM 0 HA ASP A 63 6.128 -7.173 4.217 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.012 -8.969 6.036 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.635 -10.127 4.775 1.00 0.00 H new ATOM 686 N GLN A 64 4.209 -8.755 2.162 1.00 0.00 N ATOM 687 CA GLN A 64 3.933 -9.019 0.732 1.00 0.00 C ATOM 688 C GLN A 64 3.518 -7.722 0.000 1.00 0.00 C ATOM 689 O GLN A 64 3.309 -7.735 -1.208 1.00 0.00 O ATOM 690 CB GLN A 64 2.819 -10.090 0.595 1.00 0.00 C ATOM 691 CG GLN A 64 3.134 -11.430 1.293 1.00 0.00 C ATOM 692 CD GLN A 64 2.041 -12.500 1.151 1.00 0.00 C ATOM 693 OE1 GLN A 64 0.780 -12.094 1.081 1.00 0.00 O flip ATOM 694 NE2 GLN A 64 2.331 -13.694 1.120 1.00 0.00 N flip ATOM 0 H GLN A 64 3.385 -8.838 2.757 1.00 0.00 H new ATOM 0 HA GLN A 64 4.847 -9.392 0.270 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.893 -9.688 1.007 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.641 -10.279 -0.464 1.00 0.00 H new ATOM 0 HG2 GLN A 64 4.065 -11.825 0.887 1.00 0.00 H new ATOM 0 HG3 GLN A 64 3.303 -11.241 2.353 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.308 -13.983 1.175 1.00 0.00 H new ATOM 0 HE22 GLN A 64 1.595 -14.396 1.039 1.00 0.00 H new ATOM 703 N LEU A 65 3.378 -6.618 0.756 1.00 0.00 N ATOM 704 CA LEU A 65 2.936 -5.309 0.233 1.00 0.00 C ATOM 705 C LEU A 65 4.124 -4.334 0.122 1.00 0.00 C ATOM 706 O LEU A 65 4.839 -4.108 1.106 1.00 0.00 O ATOM 707 CB LEU A 65 1.859 -4.704 1.181 1.00 0.00 C ATOM 708 CG LEU A 65 0.603 -5.588 1.445 1.00 0.00 C ATOM 709 CD1 LEU A 65 -0.307 -4.966 2.522 1.00 0.00 C ATOM 710 CD2 LEU A 65 -0.180 -5.866 0.146 1.00 0.00 C ATOM 0 H LEU A 65 3.570 -6.608 1.758 1.00 0.00 H new ATOM 0 HA LEU A 65 2.514 -5.460 -0.761 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.330 -4.483 2.139 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.528 -3.754 0.762 1.00 0.00 H new ATOM 0 HG LEU A 65 0.957 -6.546 1.824 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.173 -5.608 2.681 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.248 -4.867 3.455 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.640 -3.982 2.193 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.049 -6.485 0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.509 -4.923 -0.289 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.464 -6.387 -0.562 1.00 0.00 H new ATOM 722 N VAL A 66 4.333 -3.778 -1.087 1.00 0.00 N ATOM 723 CA VAL A 66 5.261 -2.649 -1.318 1.00 0.00 C ATOM 724 C VAL A 66 4.526 -1.538 -2.092 1.00 0.00 C ATOM 725 O VAL A 66 4.020 -1.766 -3.195 1.00 0.00 O ATOM 726 CB VAL A 66 6.590 -3.072 -2.080 1.00 0.00 C ATOM 727 CG1 VAL A 66 7.509 -3.920 -1.174 1.00 0.00 C ATOM 728 CG2 VAL A 66 6.295 -3.822 -3.408 1.00 0.00 C ATOM 0 H VAL A 66 3.863 -4.098 -1.934 1.00 0.00 H new ATOM 0 HA VAL A 66 5.578 -2.284 -0.341 1.00 0.00 H new ATOM 0 HB VAL A 66 7.110 -2.148 -2.335 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.410 -4.194 -1.724 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.784 -3.342 -0.292 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.983 -4.824 -0.866 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.235 -4.090 -3.891 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.725 -4.727 -3.196 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.718 -3.176 -4.070 1.00 0.00 H new ATOM 738 N LEU A 67 4.417 -0.350 -1.477 1.00 0.00 N ATOM 739 CA LEU A 67 3.862 0.841 -2.135 1.00 0.00 C ATOM 740 C LEU A 67 4.967 1.489 -2.968 1.00 0.00 C ATOM 741 O LEU A 67 6.146 1.363 -2.639 1.00 0.00 O ATOM 742 CB LEU A 67 3.304 1.841 -1.088 1.00 0.00 C ATOM 743 CG LEU A 67 1.981 1.420 -0.370 1.00 0.00 C ATOM 744 CD1 LEU A 67 1.600 2.424 0.739 1.00 0.00 C ATOM 745 CD2 LEU A 67 0.827 1.267 -1.389 1.00 0.00 C ATOM 0 H LEU A 67 4.710 -0.189 -0.513 1.00 0.00 H new ATOM 0 HA LEU A 67 3.033 0.552 -2.781 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.069 2.005 -0.329 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.136 2.797 -1.583 1.00 0.00 H new ATOM 0 HG LEU A 67 2.153 0.452 0.101 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.676 2.103 1.219 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.398 2.467 1.480 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.457 3.412 0.302 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.083 0.974 -0.866 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.663 2.217 -1.898 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.087 0.503 -2.121 1.00 0.00 H new ATOM 757 N ILE A 68 4.580 2.110 -4.090 1.00 0.00 N ATOM 758 CA ILE A 68 5.498 2.818 -4.992 1.00 0.00 C ATOM 759 C ILE A 68 4.829 4.132 -5.420 1.00 0.00 C ATOM 760 O ILE A 68 3.632 4.154 -5.735 1.00 0.00 O ATOM 761 CB ILE A 68 5.900 1.999 -6.300 1.00 0.00 C ATOM 762 CG1 ILE A 68 6.467 0.569 -5.980 1.00 0.00 C ATOM 763 CG2 ILE A 68 6.920 2.792 -7.160 1.00 0.00 C ATOM 764 CD1 ILE A 68 5.417 -0.518 -5.808 1.00 0.00 C ATOM 0 H ILE A 68 3.609 2.135 -4.401 1.00 0.00 H new ATOM 0 HA ILE A 68 6.423 2.978 -4.438 1.00 0.00 H new ATOM 0 HB ILE A 68 4.978 1.861 -6.865 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.143 0.275 -6.783 1.00 0.00 H new ATOM 0 HG13 ILE A 68 7.061 0.626 -5.068 1.00 0.00 H new ATOM 0 HG21 ILE A 68 7.178 2.212 -8.046 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.479 3.742 -7.464 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.820 2.980 -6.575 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.908 -1.467 -5.590 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.753 -0.255 -4.984 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.837 -0.612 -6.726 1.00 0.00 H new ATOM 776 N PHE A 69 5.613 5.205 -5.424 1.00 0.00 N ATOM 777 CA PHE A 69 5.205 6.523 -5.917 1.00 0.00 C ATOM 778 C PHE A 69 6.470 7.351 -6.166 1.00 0.00 C ATOM 779 O PHE A 69 7.469 7.195 -5.442 1.00 0.00 O ATOM 780 CB PHE A 69 4.261 7.235 -4.915 1.00 0.00 C ATOM 781 CG PHE A 69 3.556 8.480 -5.477 1.00 0.00 C ATOM 782 CD1 PHE A 69 2.351 8.358 -6.177 1.00 0.00 C ATOM 783 CD2 PHE A 69 4.082 9.762 -5.296 1.00 0.00 C ATOM 784 CE1 PHE A 69 1.698 9.476 -6.673 1.00 0.00 C ATOM 785 CE2 PHE A 69 3.428 10.874 -5.796 1.00 0.00 C ATOM 786 CZ PHE A 69 2.238 10.733 -6.480 1.00 0.00 C ATOM 0 H PHE A 69 6.572 5.186 -5.077 1.00 0.00 H new ATOM 0 HA PHE A 69 4.645 6.410 -6.845 1.00 0.00 H new ATOM 0 HB2 PHE A 69 3.505 6.525 -4.581 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.837 7.525 -4.036 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.923 7.379 -6.333 1.00 0.00 H new ATOM 0 HD2 PHE A 69 5.011 9.886 -4.759 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.768 9.364 -7.210 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.851 11.857 -5.650 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.729 11.605 -6.864 1.00 0.00 H new ATOM 796 N ALA A 70 6.411 8.217 -7.195 1.00 0.00 N ATOM 797 CA ALA A 70 7.556 9.025 -7.667 1.00 0.00 C ATOM 798 C ALA A 70 8.690 8.134 -8.230 1.00 0.00 C ATOM 799 O ALA A 70 9.840 8.574 -8.347 1.00 0.00 O ATOM 800 CB ALA A 70 8.062 9.982 -6.561 1.00 0.00 C ATOM 0 H ALA A 70 5.558 8.379 -7.730 1.00 0.00 H new ATOM 0 HA ALA A 70 7.205 9.645 -8.492 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.904 10.562 -6.939 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.258 10.658 -6.269 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.381 9.401 -5.695 1.00 0.00 H new ATOM 806 N GLY A 71 8.330 6.888 -8.612 1.00 0.00 N ATOM 807 CA GLY A 71 9.280 5.923 -9.178 1.00 0.00 C ATOM 808 C GLY A 71 10.113 5.185 -8.127 1.00 0.00 C ATOM 809 O GLY A 71 11.057 4.477 -8.483 1.00 0.00 O ATOM 0 H GLY A 71 7.377 6.532 -8.535 1.00 0.00 H new ATOM 0 HA2 GLY A 71 8.731 5.192 -9.771 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.952 6.446 -9.859 1.00 0.00 H new ATOM 813 N LYS A 72 9.763 5.329 -6.830 1.00 0.00 N ATOM 814 CA LYS A 72 10.504 4.686 -5.719 1.00 0.00 C ATOM 815 C LYS A 72 9.523 4.128 -4.679 1.00 0.00 C ATOM 816 O LYS A 72 8.388 4.595 -4.574 1.00 0.00 O ATOM 817 CB LYS A 72 11.534 5.690 -5.097 1.00 0.00 C ATOM 818 CG LYS A 72 10.951 7.028 -4.539 1.00 0.00 C ATOM 819 CD LYS A 72 10.456 6.940 -3.063 1.00 0.00 C ATOM 820 CE LYS A 72 11.575 6.596 -2.059 1.00 0.00 C ATOM 821 NZ LYS A 72 12.632 7.629 -2.014 1.00 0.00 N ATOM 0 H LYS A 72 8.967 5.888 -6.524 1.00 0.00 H new ATOM 0 HA LYS A 72 11.076 3.842 -6.105 1.00 0.00 H new ATOM 0 HB2 LYS A 72 12.059 5.183 -4.288 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.277 5.932 -5.857 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.715 7.802 -4.609 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.121 7.342 -5.171 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.006 7.892 -2.782 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.673 6.185 -2.995 1.00 0.00 H new ATOM 0 HE2 LYS A 72 11.143 6.479 -1.065 1.00 0.00 H new ATOM 0 HE3 LYS A 72 12.019 5.638 -2.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 13.342 7.368 -1.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 13.087 7.701 -2.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 12.211 8.546 -1.763 1.00 0.00 H new ATOM 835 N ILE A 73 9.986 3.132 -3.910 1.00 0.00 N ATOM 836 CA ILE A 73 9.161 2.431 -2.906 1.00 0.00 C ATOM 837 C ILE A 73 8.874 3.332 -1.675 1.00 0.00 C ATOM 838 O ILE A 73 9.762 4.033 -1.178 1.00 0.00 O ATOM 839 CB ILE A 73 9.794 1.044 -2.446 1.00 0.00 C ATOM 840 CG1 ILE A 73 11.061 1.196 -1.511 1.00 0.00 C ATOM 841 CG2 ILE A 73 10.121 0.155 -3.676 1.00 0.00 C ATOM 842 CD1 ILE A 73 12.274 1.891 -2.109 1.00 0.00 C ATOM 0 H ILE A 73 10.944 2.787 -3.964 1.00 0.00 H new ATOM 0 HA ILE A 73 8.215 2.205 -3.399 1.00 0.00 H new ATOM 0 HB ILE A 73 9.033 0.555 -1.838 1.00 0.00 H new ATOM 0 HG12 ILE A 73 10.761 1.745 -0.618 1.00 0.00 H new ATOM 0 HG13 ILE A 73 11.365 0.201 -1.186 1.00 0.00 H new ATOM 0 HG21 ILE A 73 10.552 -0.788 -3.339 1.00 0.00 H new ATOM 0 HG22 ILE A 73 9.206 -0.044 -4.235 1.00 0.00 H new ATOM 0 HG23 ILE A 73 10.834 0.671 -4.319 1.00 0.00 H new ATOM 0 HD11 ILE A 73 13.072 1.931 -1.368 1.00 0.00 H new ATOM 0 HD12 ILE A 73 12.617 1.337 -2.983 1.00 0.00 H new ATOM 0 HD13 ILE A 73 12.003 2.904 -2.406 1.00 0.00 H new ATOM 854 N LEU A 74 7.611 3.347 -1.230 1.00 0.00 N ATOM 855 CA LEU A 74 7.200 4.014 0.012 1.00 0.00 C ATOM 856 C LEU A 74 7.411 3.043 1.174 1.00 0.00 C ATOM 857 O LEU A 74 6.755 1.986 1.237 1.00 0.00 O ATOM 858 CB LEU A 74 5.715 4.465 -0.035 1.00 0.00 C ATOM 859 CG LEU A 74 5.252 5.245 -1.304 1.00 0.00 C ATOM 860 CD1 LEU A 74 3.815 5.779 -1.122 1.00 0.00 C ATOM 861 CD2 LEU A 74 6.235 6.376 -1.686 1.00 0.00 C ATOM 0 H LEU A 74 6.842 2.895 -1.724 1.00 0.00 H new ATOM 0 HA LEU A 74 7.805 4.911 0.142 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.088 3.579 0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.523 5.091 0.836 1.00 0.00 H new ATOM 0 HG LEU A 74 5.250 4.542 -2.137 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.512 6.320 -2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.135 4.944 -0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.782 6.451 -0.264 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.870 6.890 -2.575 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.311 7.086 -0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.217 5.951 -1.890 1.00 0.00 H new ATOM 873 N LYS A 75 8.355 3.381 2.055 1.00 0.00 N ATOM 874 CA LYS A 75 8.661 2.575 3.245 1.00 0.00 C ATOM 875 C LYS A 75 7.842 3.058 4.436 1.00 0.00 C ATOM 876 O LYS A 75 7.300 4.161 4.417 1.00 0.00 O ATOM 877 CB LYS A 75 10.174 2.634 3.561 1.00 0.00 C ATOM 878 CG LYS A 75 11.074 2.060 2.447 1.00 0.00 C ATOM 879 CD LYS A 75 10.802 0.560 2.145 1.00 0.00 C ATOM 880 CE LYS A 75 11.107 -0.356 3.344 1.00 0.00 C ATOM 881 NZ LYS A 75 12.518 -0.236 3.799 1.00 0.00 N ATOM 0 H LYS A 75 8.929 4.219 1.966 1.00 0.00 H new ATOM 0 HA LYS A 75 8.394 1.538 3.043 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.456 3.671 3.743 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.363 2.086 4.484 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.925 2.639 1.536 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.118 2.181 2.735 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.758 0.436 1.855 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.408 0.250 1.294 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.439 -0.107 4.168 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.902 -1.391 3.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.720 -0.975 4.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.156 -0.349 2.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.666 0.700 4.228 1.00 0.00 H new ATOM 895 N ASP A 76 7.785 2.213 5.471 1.00 0.00 N ATOM 896 CA ASP A 76 7.008 2.457 6.703 1.00 0.00 C ATOM 897 C ASP A 76 7.401 3.781 7.397 1.00 0.00 C ATOM 898 O ASP A 76 6.540 4.482 7.939 1.00 0.00 O ATOM 899 CB ASP A 76 7.198 1.266 7.673 1.00 0.00 C ATOM 900 CG ASP A 76 8.650 1.091 8.152 1.00 0.00 C ATOM 901 OD1 ASP A 76 9.528 0.780 7.314 1.00 0.00 O ATOM 902 OD2 ASP A 76 8.927 1.274 9.355 1.00 0.00 O ATOM 0 H ASP A 76 8.284 1.324 5.482 1.00 0.00 H new ATOM 0 HA ASP A 76 5.959 2.548 6.422 1.00 0.00 H new ATOM 0 HB2 ASP A 76 6.552 1.407 8.540 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.874 0.350 7.179 1.00 0.00 H new ATOM 907 N GLN A 77 8.705 4.105 7.334 1.00 0.00 N ATOM 908 CA GLN A 77 9.295 5.328 7.919 1.00 0.00 C ATOM 909 C GLN A 77 8.782 6.608 7.215 1.00 0.00 C ATOM 910 O GLN A 77 8.811 7.697 7.787 1.00 0.00 O ATOM 911 CB GLN A 77 10.840 5.229 7.808 1.00 0.00 C ATOM 912 CG GLN A 77 11.366 5.172 6.351 1.00 0.00 C ATOM 913 CD GLN A 77 12.860 4.869 6.227 1.00 0.00 C ATOM 914 OE1 GLN A 77 13.653 5.176 7.113 1.00 0.00 O ATOM 915 NE2 GLN A 77 13.261 4.303 5.100 1.00 0.00 N ATOM 0 H GLN A 77 9.393 3.515 6.867 1.00 0.00 H new ATOM 0 HA GLN A 77 8.995 5.401 8.964 1.00 0.00 H new ATOM 0 HB2 GLN A 77 11.286 6.087 8.311 1.00 0.00 H new ATOM 0 HB3 GLN A 77 11.176 4.339 8.340 1.00 0.00 H new ATOM 0 HG2 GLN A 77 10.807 4.411 5.806 1.00 0.00 H new ATOM 0 HG3 GLN A 77 11.160 6.126 5.866 1.00 0.00 H new ATOM 0 HE21 GLN A 77 12.580 4.059 4.381 1.00 0.00 H new ATOM 0 HE22 GLN A 77 14.251 4.111 4.950 1.00 0.00 H new ATOM 924 N ASP A 78 8.328 6.442 5.968 1.00 0.00 N ATOM 925 CA ASP A 78 7.775 7.520 5.135 1.00 0.00 C ATOM 926 C ASP A 78 6.250 7.616 5.327 1.00 0.00 C ATOM 927 O ASP A 78 5.608 6.672 5.811 1.00 0.00 O ATOM 928 CB ASP A 78 8.128 7.236 3.645 1.00 0.00 C ATOM 929 CG ASP A 78 7.473 8.198 2.623 1.00 0.00 C ATOM 930 OD1 ASP A 78 7.780 9.417 2.647 1.00 0.00 O ATOM 931 OD2 ASP A 78 6.657 7.741 1.786 1.00 0.00 O ATOM 0 H ASP A 78 8.334 5.537 5.498 1.00 0.00 H new ATOM 0 HA ASP A 78 8.209 8.475 5.432 1.00 0.00 H new ATOM 0 HB2 ASP A 78 9.210 7.287 3.527 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.829 6.216 3.404 1.00 0.00 H new ATOM 936 N THR A 79 5.684 8.780 4.973 1.00 0.00 N ATOM 937 CA THR A 79 4.237 8.980 4.870 1.00 0.00 C ATOM 938 C THR A 79 3.893 9.274 3.406 1.00 0.00 C ATOM 939 O THR A 79 4.656 9.954 2.704 1.00 0.00 O ATOM 940 CB THR A 79 3.750 10.163 5.771 1.00 0.00 C ATOM 941 OG1 THR A 79 4.443 11.369 5.426 1.00 0.00 O ATOM 942 CG2 THR A 79 3.963 9.867 7.262 1.00 0.00 C ATOM 0 H THR A 79 6.226 9.614 4.749 1.00 0.00 H new ATOM 0 HA THR A 79 3.733 8.077 5.214 1.00 0.00 H new ATOM 0 HB THR A 79 2.682 10.286 5.594 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.128 12.102 5.996 1.00 0.00 H new ATOM 0 HG21 THR A 79 3.612 10.712 7.854 1.00 0.00 H new ATOM 0 HG22 THR A 79 3.404 8.973 7.539 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.024 9.705 7.453 1.00 0.00 H new ATOM 950 N LEU A 80 2.745 8.751 2.960 1.00 0.00 N ATOM 951 CA LEU A 80 2.201 8.998 1.611 1.00 0.00 C ATOM 952 C LEU A 80 2.044 10.515 1.323 1.00 0.00 C ATOM 953 O LEU A 80 2.355 10.981 0.225 1.00 0.00 O ATOM 954 CB LEU A 80 0.867 8.181 1.425 1.00 0.00 C ATOM 955 CG LEU A 80 -0.123 8.117 2.652 1.00 0.00 C ATOM 956 CD1 LEU A 80 -0.898 9.425 2.867 1.00 0.00 C ATOM 957 CD2 LEU A 80 -1.085 6.920 2.534 1.00 0.00 C ATOM 0 H LEU A 80 2.159 8.138 3.527 1.00 0.00 H new ATOM 0 HA LEU A 80 2.910 8.641 0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.327 8.606 0.579 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.133 7.159 1.153 1.00 0.00 H new ATOM 0 HG LEU A 80 0.498 7.974 3.536 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.562 9.318 3.725 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.196 10.238 3.051 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.488 9.649 1.978 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.754 6.904 3.395 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.672 7.014 1.620 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.511 5.994 2.503 1.00 0.00 H new ATOM 969 N SER A 81 1.637 11.273 2.359 1.00 0.00 N ATOM 970 CA SER A 81 1.392 12.727 2.275 1.00 0.00 C ATOM 971 C SER A 81 2.706 13.515 2.054 1.00 0.00 C ATOM 972 O SER A 81 2.684 14.599 1.458 1.00 0.00 O ATOM 973 CB SER A 81 0.662 13.209 3.556 1.00 0.00 C ATOM 974 OG SER A 81 0.377 14.604 3.520 1.00 0.00 O ATOM 0 H SER A 81 1.467 10.889 3.289 1.00 0.00 H new ATOM 0 HA SER A 81 0.756 12.919 1.411 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.268 12.653 3.673 1.00 0.00 H new ATOM 0 HB3 SER A 81 1.278 12.988 4.428 1.00 0.00 H new ATOM 0 HG SER A 81 -0.084 14.865 4.344 1.00 0.00 H new ATOM 980 N GLN A 82 3.849 12.955 2.515 1.00 0.00 N ATOM 981 CA GLN A 82 5.188 13.547 2.268 1.00 0.00 C ATOM 982 C GLN A 82 5.549 13.451 0.769 1.00 0.00 C ATOM 983 O GLN A 82 6.266 14.303 0.231 1.00 0.00 O ATOM 984 CB GLN A 82 6.273 12.859 3.147 1.00 0.00 C ATOM 985 CG GLN A 82 7.679 13.513 3.101 1.00 0.00 C ATOM 986 CD GLN A 82 7.770 14.914 3.733 1.00 0.00 C ATOM 987 OE1 GLN A 82 6.810 15.688 3.751 1.00 0.00 O ATOM 988 NE2 GLN A 82 8.944 15.263 4.242 1.00 0.00 N ATOM 0 H GLN A 82 3.872 12.093 3.061 1.00 0.00 H new ATOM 0 HA GLN A 82 5.154 14.600 2.547 1.00 0.00 H new ATOM 0 HB2 GLN A 82 5.928 12.852 4.181 1.00 0.00 H new ATOM 0 HB3 GLN A 82 6.364 11.819 2.834 1.00 0.00 H new ATOM 0 HG2 GLN A 82 8.385 12.856 3.609 1.00 0.00 H new ATOM 0 HG3 GLN A 82 7.998 13.580 2.061 1.00 0.00 H new ATOM 0 HE21 GLN A 82 9.726 14.608 4.217 1.00 0.00 H new ATOM 0 HE22 GLN A 82 9.065 16.186 4.658 1.00 0.00 H new ATOM 997 N HIS A 83 5.014 12.413 0.097 1.00 0.00 N ATOM 998 CA HIS A 83 5.128 12.246 -1.369 1.00 0.00 C ATOM 999 C HIS A 83 4.002 12.987 -2.123 1.00 0.00 C ATOM 1000 O HIS A 83 3.853 12.818 -3.332 1.00 0.00 O ATOM 1001 CB HIS A 83 5.158 10.735 -1.735 1.00 0.00 C ATOM 1002 CG HIS A 83 6.531 10.139 -1.639 1.00 0.00 C ATOM 1003 ND1 HIS A 83 7.056 9.624 -0.480 1.00 0.00 N ATOM 1004 CD2 HIS A 83 7.509 10.038 -2.569 1.00 0.00 C ATOM 1005 CE1 HIS A 83 8.293 9.238 -0.701 1.00 0.00 C ATOM 1006 NE2 HIS A 83 8.594 9.477 -1.960 1.00 0.00 N ATOM 0 H HIS A 83 4.490 11.666 0.553 1.00 0.00 H new ATOM 0 HA HIS A 83 6.067 12.698 -1.688 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.484 10.192 -1.072 1.00 0.00 H new ATOM 0 HB3 HIS A 83 4.781 10.604 -2.749 1.00 0.00 H new ATOM 0 HD1 HIS A 83 6.565 9.552 0.411 1.00 0.00 H new ATOM 0 HD2 HIS A 83 7.443 10.345 -3.602 1.00 0.00 H new ATOM 0 HE1 HIS A 83 8.954 8.797 0.030 1.00 0.00 H new ATOM 1015 N GLY A 84 3.231 13.819 -1.400 1.00 0.00 N ATOM 1016 CA GLY A 84 2.189 14.666 -1.992 1.00 0.00 C ATOM 1017 C GLY A 84 0.899 13.922 -2.295 1.00 0.00 C ATOM 1018 O GLY A 84 0.022 14.446 -3.000 1.00 0.00 O ATOM 0 H GLY A 84 3.316 13.920 -0.389 1.00 0.00 H new ATOM 0 HA2 GLY A 84 1.972 15.490 -1.312 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.570 15.106 -2.914 1.00 0.00 H new ATOM 1022 N ILE A 85 0.764 12.710 -1.738 1.00 0.00 N ATOM 1023 CA ILE A 85 -0.405 11.859 -1.964 1.00 0.00 C ATOM 1024 C ILE A 85 -1.516 12.259 -0.989 1.00 0.00 C ATOM 1025 O ILE A 85 -1.418 12.017 0.224 1.00 0.00 O ATOM 1026 CB ILE A 85 -0.069 10.338 -1.785 1.00 0.00 C ATOM 1027 CG1 ILE A 85 1.143 9.931 -2.684 1.00 0.00 C ATOM 1028 CG2 ILE A 85 -1.312 9.456 -2.083 1.00 0.00 C ATOM 1029 CD1 ILE A 85 1.727 8.570 -2.362 1.00 0.00 C ATOM 0 H ILE A 85 1.462 12.296 -1.120 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.732 12.004 -2.994 1.00 0.00 H new ATOM 0 HB ILE A 85 0.213 10.171 -0.746 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.826 9.940 -3.727 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.925 10.683 -2.582 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.053 8.405 -1.952 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.118 9.719 -1.398 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.639 9.623 -3.109 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.563 8.365 -3.031 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.077 8.559 -1.330 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.961 7.805 -2.493 1.00 0.00 H new ATOM 1041 N HIS A 86 -2.544 12.907 -1.534 1.00 0.00 N ATOM 1042 CA HIS A 86 -3.738 13.304 -0.786 1.00 0.00 C ATOM 1043 C HIS A 86 -4.990 12.931 -1.598 1.00 0.00 C ATOM 1044 O HIS A 86 -4.911 12.101 -2.514 1.00 0.00 O ATOM 1045 CB HIS A 86 -3.667 14.816 -0.420 1.00 0.00 C ATOM 1046 CG HIS A 86 -3.604 15.777 -1.581 1.00 0.00 C ATOM 1047 ND1 HIS A 86 -2.427 16.134 -2.200 1.00 0.00 N ATOM 1048 CD2 HIS A 86 -4.575 16.493 -2.195 1.00 0.00 C ATOM 1049 CE1 HIS A 86 -2.677 17.028 -3.134 1.00 0.00 C ATOM 1050 NE2 HIS A 86 -3.973 17.263 -3.151 1.00 0.00 N ATOM 0 H HIS A 86 -2.573 13.175 -2.518 1.00 0.00 H new ATOM 0 HA HIS A 86 -3.794 12.766 0.160 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -4.540 15.064 0.184 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -2.790 14.977 0.206 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -1.505 15.764 -1.971 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -5.631 16.462 -1.971 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -1.943 17.491 -3.778 1.00 0.00 H new ATOM 1059 N ASP A 87 -6.145 13.499 -1.216 1.00 0.00 N ATOM 1060 CA ASP A 87 -7.415 13.314 -1.939 1.00 0.00 C ATOM 1061 C ASP A 87 -7.272 13.725 -3.424 1.00 0.00 C ATOM 1062 O ASP A 87 -6.847 14.848 -3.722 1.00 0.00 O ATOM 1063 CB ASP A 87 -8.531 14.129 -1.229 1.00 0.00 C ATOM 1064 CG ASP A 87 -9.824 14.279 -2.046 1.00 0.00 C ATOM 1065 OD1 ASP A 87 -10.488 13.271 -2.318 1.00 0.00 O ATOM 1066 OD2 ASP A 87 -10.171 15.413 -2.434 1.00 0.00 O ATOM 0 H ASP A 87 -6.225 14.100 -0.396 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.687 12.259 -1.925 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.769 13.647 -0.281 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -8.146 15.122 -0.995 1.00 0.00 H new ATOM 1071 N GLY A 88 -7.607 12.790 -4.335 1.00 0.00 N ATOM 1072 CA GLY A 88 -7.461 12.996 -5.783 1.00 0.00 C ATOM 1073 C GLY A 88 -6.209 12.343 -6.374 1.00 0.00 C ATOM 1074 O GLY A 88 -6.030 12.336 -7.598 1.00 0.00 O ATOM 0 H GLY A 88 -7.984 11.876 -4.086 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -8.341 12.598 -6.288 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.433 14.066 -5.988 1.00 0.00 H new ATOM 1078 N LEU A 89 -5.332 11.804 -5.502 1.00 0.00 N ATOM 1079 CA LEU A 89 -4.082 11.109 -5.910 1.00 0.00 C ATOM 1080 C LEU A 89 -4.235 9.582 -5.769 1.00 0.00 C ATOM 1081 O LEU A 89 -5.079 9.085 -5.011 1.00 0.00 O ATOM 1082 CB LEU A 89 -2.851 11.600 -5.070 1.00 0.00 C ATOM 1083 CG LEU A 89 -2.252 13.004 -5.425 1.00 0.00 C ATOM 1084 CD1 LEU A 89 -1.768 13.051 -6.892 1.00 0.00 C ATOM 1085 CD2 LEU A 89 -3.241 14.148 -5.119 1.00 0.00 C ATOM 0 H LEU A 89 -5.466 11.836 -4.491 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.902 11.354 -6.957 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.143 11.614 -4.020 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.057 10.860 -5.170 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.384 13.156 -4.784 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.358 14.037 -7.108 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.997 12.296 -7.045 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.607 12.853 -7.559 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.785 15.103 -5.380 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.151 14.009 -5.703 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.487 14.142 -4.057 1.00 0.00 H new ATOM 1097 N THR A 90 -3.386 8.852 -6.511 1.00 0.00 N ATOM 1098 CA THR A 90 -3.343 7.387 -6.523 1.00 0.00 C ATOM 1099 C THR A 90 -1.893 6.907 -6.331 1.00 0.00 C ATOM 1100 O THR A 90 -0.959 7.413 -6.975 1.00 0.00 O ATOM 1101 CB THR A 90 -3.931 6.819 -7.864 1.00 0.00 C ATOM 1102 OG1 THR A 90 -5.271 7.313 -8.048 1.00 0.00 O ATOM 1103 CG2 THR A 90 -3.956 5.275 -7.899 1.00 0.00 C ATOM 0 H THR A 90 -2.697 9.277 -7.132 1.00 0.00 H new ATOM 0 HA THR A 90 -3.956 7.016 -5.702 1.00 0.00 H new ATOM 0 HB THR A 90 -3.277 7.156 -8.668 1.00 0.00 H new ATOM 0 HG1 THR A 90 -5.638 6.960 -8.886 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.372 4.939 -8.849 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.941 4.892 -7.792 1.00 0.00 H new ATOM 0 HG23 THR A 90 -4.573 4.902 -7.081 1.00 0.00 H new ATOM 1111 N VAL A 91 -1.732 5.931 -5.428 1.00 0.00 N ATOM 1112 CA VAL A 91 -0.467 5.247 -5.163 1.00 0.00 C ATOM 1113 C VAL A 91 -0.422 3.971 -6.011 1.00 0.00 C ATOM 1114 O VAL A 91 -1.461 3.472 -6.463 1.00 0.00 O ATOM 1115 CB VAL A 91 -0.320 4.838 -3.633 1.00 0.00 C ATOM 1116 CG1 VAL A 91 1.153 4.567 -3.251 1.00 0.00 C ATOM 1117 CG2 VAL A 91 -0.961 5.883 -2.699 1.00 0.00 C ATOM 0 H VAL A 91 -2.499 5.589 -4.849 1.00 0.00 H new ATOM 0 HA VAL A 91 0.347 5.928 -5.412 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.866 3.904 -3.499 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.211 4.291 -2.198 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.543 3.753 -3.862 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.745 5.466 -3.423 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.840 5.568 -1.663 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.475 6.848 -2.844 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.023 5.974 -2.929 1.00 0.00 H new ATOM 1127 N HIS A 92 0.776 3.455 -6.235 1.00 0.00 N ATOM 1128 CA HIS A 92 0.973 2.115 -6.793 1.00 0.00 C ATOM 1129 C HIS A 92 1.257 1.141 -5.645 1.00 0.00 C ATOM 1130 O HIS A 92 1.801 1.532 -4.611 1.00 0.00 O ATOM 1131 CB HIS A 92 2.127 2.111 -7.814 1.00 0.00 C ATOM 1132 CG HIS A 92 1.841 2.894 -9.064 1.00 0.00 C ATOM 1133 ND1 HIS A 92 1.651 2.299 -10.292 1.00 0.00 N ATOM 1134 CD2 HIS A 92 1.720 4.227 -9.276 1.00 0.00 C ATOM 1135 CE1 HIS A 92 1.435 3.226 -11.199 1.00 0.00 C ATOM 1136 NE2 HIS A 92 1.470 4.402 -10.609 1.00 0.00 N ATOM 0 H HIS A 92 1.645 3.950 -6.036 1.00 0.00 H new ATOM 0 HA HIS A 92 0.071 1.803 -7.320 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.020 2.518 -7.339 1.00 0.00 H new ATOM 0 HB3 HIS A 92 2.353 1.080 -8.087 1.00 0.00 H new ATOM 0 HD2 HIS A 92 1.805 5.005 -8.532 1.00 0.00 H new ATOM 0 HE1 HIS A 92 1.259 3.052 -12.250 1.00 0.00 H new ATOM 0 HE2 HIS A 92 1.333 5.300 -11.072 1.00 0.00 H new ATOM 1145 N LEU A 93 0.847 -0.107 -5.825 1.00 0.00 N ATOM 1146 CA LEU A 93 1.109 -1.197 -4.884 1.00 0.00 C ATOM 1147 C LEU A 93 1.345 -2.466 -5.677 1.00 0.00 C ATOM 1148 O LEU A 93 0.531 -2.835 -6.526 1.00 0.00 O ATOM 1149 CB LEU A 93 -0.078 -1.413 -3.916 1.00 0.00 C ATOM 1150 CG LEU A 93 0.033 -2.630 -2.928 1.00 0.00 C ATOM 1151 CD1 LEU A 93 1.154 -2.447 -1.894 1.00 0.00 C ATOM 1152 CD2 LEU A 93 -1.299 -2.902 -2.233 1.00 0.00 C ATOM 0 H LEU A 93 0.313 -0.400 -6.643 1.00 0.00 H new ATOM 0 HA LEU A 93 1.983 -0.940 -4.286 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.206 -0.506 -3.326 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.984 -1.538 -4.510 1.00 0.00 H new ATOM 0 HG LEU A 93 0.292 -3.498 -3.534 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.188 -3.316 -1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.110 -2.344 -2.408 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.961 -1.552 -1.303 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.190 -3.749 -1.556 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.600 -2.021 -1.666 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.059 -3.130 -2.980 1.00 0.00 H new ATOM 1164 N VAL A 94 2.454 -3.123 -5.403 1.00 0.00 N ATOM 1165 CA VAL A 94 2.761 -4.427 -5.975 1.00 0.00 C ATOM 1166 C VAL A 94 2.711 -5.438 -4.844 1.00 0.00 C ATOM 1167 O VAL A 94 3.419 -5.297 -3.835 1.00 0.00 O ATOM 1168 CB VAL A 94 4.157 -4.460 -6.694 1.00 0.00 C ATOM 1169 CG1 VAL A 94 4.441 -5.856 -7.305 1.00 0.00 C ATOM 1170 CG2 VAL A 94 4.246 -3.349 -7.770 1.00 0.00 C ATOM 0 H VAL A 94 3.175 -2.769 -4.774 1.00 0.00 H new ATOM 0 HA VAL A 94 2.029 -4.663 -6.747 1.00 0.00 H new ATOM 0 HB VAL A 94 4.926 -4.267 -5.946 1.00 0.00 H new ATOM 0 HG11 VAL A 94 5.414 -5.847 -7.796 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.440 -6.606 -6.514 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.669 -6.097 -8.035 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.221 -3.390 -8.256 1.00 0.00 H new ATOM 0 HG22 VAL A 94 3.464 -3.499 -8.514 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.116 -2.375 -7.299 1.00 0.00 H new ATOM 1180 N ILE A 95 1.815 -6.413 -4.983 1.00 0.00 N ATOM 1181 CA ILE A 95 1.646 -7.474 -4.003 1.00 0.00 C ATOM 1182 C ILE A 95 2.317 -8.742 -4.533 1.00 0.00 C ATOM 1183 O ILE A 95 2.234 -9.026 -5.737 1.00 0.00 O ATOM 1184 CB ILE A 95 0.131 -7.776 -3.707 1.00 0.00 C ATOM 1185 CG1 ILE A 95 -0.702 -6.467 -3.514 1.00 0.00 C ATOM 1186 CG2 ILE A 95 0.011 -8.678 -2.465 1.00 0.00 C ATOM 1187 CD1 ILE A 95 -2.157 -6.693 -3.108 1.00 0.00 C ATOM 0 H ILE A 95 1.186 -6.486 -5.782 1.00 0.00 H new ATOM 0 HA ILE A 95 2.104 -7.147 -3.069 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.281 -8.294 -4.573 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -0.218 -5.853 -2.755 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.682 -5.899 -4.444 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -1.041 -8.884 -2.265 1.00 0.00 H new ATOM 0 HG22 ILE A 95 0.536 -9.616 -2.644 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.452 -8.174 -1.605 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.657 -5.731 -2.997 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.662 -7.278 -3.876 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.191 -7.231 -2.161 1.00 0.00 H new ATOM 1199 N LYS A 96 2.986 -9.487 -3.647 1.00 0.00 N ATOM 1200 CA LYS A 96 3.525 -10.810 -3.965 1.00 0.00 C ATOM 1201 C LYS A 96 2.739 -11.870 -3.179 1.00 0.00 C ATOM 1202 O LYS A 96 3.143 -12.288 -2.088 1.00 0.00 O ATOM 1203 CB LYS A 96 5.057 -10.868 -3.683 1.00 0.00 C ATOM 1204 CG LYS A 96 5.729 -12.210 -4.081 1.00 0.00 C ATOM 1205 CD LYS A 96 7.278 -12.176 -4.006 1.00 0.00 C ATOM 1206 CE LYS A 96 7.893 -11.194 -5.018 1.00 0.00 C ATOM 1207 NZ LYS A 96 9.379 -11.196 -4.986 1.00 0.00 N ATOM 0 H LYS A 96 3.168 -9.188 -2.689 1.00 0.00 H new ATOM 0 HA LYS A 96 3.405 -11.016 -5.029 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.545 -10.057 -4.223 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.226 -10.691 -2.621 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.359 -13.000 -3.427 1.00 0.00 H new ATOM 0 HG3 LYS A 96 5.428 -12.470 -5.096 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.584 -11.894 -2.999 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.670 -13.176 -4.190 1.00 0.00 H new ATOM 0 HE2 LYS A 96 7.555 -11.453 -6.021 1.00 0.00 H new ATOM 0 HE3 LYS A 96 7.530 -10.188 -4.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.742 -10.518 -5.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 9.706 -10.923 -4.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 9.730 -12.149 -5.212 1.00 0.00 H new