USER MOD reduce.3.24.130724 H: found=0, std=0, add=943, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 944 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 24 ASN : amide:sc= 0.368 X(o=0.37,f=0) USER MOD Set 1.2: A 30 THR OG1 : rot -140:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.0695 K(o=-0.07,f=-1.2) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.798 USER MOD Single : A 29 GLN : amide:sc=-0.00405 X(o=-0.0041,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.107 K(o=-0.11,f=-0.71) USER MOD Single : A 35 ASN : amide:sc= -4.32! C(o=-4.3!,f=-15!) USER MOD Single : A 38 GLN :FLIP amide:sc= -1.38 F(o=-3.1!,f=-1.4) USER MOD Single : A 44 THR OG1 : rot 72:sc= 0.766 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl -156:sc= -5.87! (180deg=-6.61!) USER MOD Single : A 56 LYS NZ :NH3+ -109:sc= -0.786 (180deg=-2.16!) USER MOD Single : A 60 MET CE :methyl 179:sc= 0 (180deg=-0.00195) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -115:sc= -8.44! (180deg=-11.7!) USER MOD Single : A 70 LYS NZ :NH3+ 154:sc= -0.0442 (180deg=-0.0595) USER MOD Single : A 75 ASN : amide:sc= -1.91! C(o=-1.9!,f=-5.9!) USER MOD Single : A 81 MET CE :methyl -131:sc= -8.5! (180deg=-16.5!) USER MOD Single : A 82 THR OG1 : rot -57:sc= 0.286 USER MOD Single : A 91 GLN : amide:sc= -0.125 X(o=-0.13,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HE2:sc= -16.2! C(o=-16!,f=-22!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ -165:sc= -0.427 (180deg=-0.885) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 51 N GLU A 4 3.443 -12.018 -2.124 1.00 0.00 N ATOM 52 CA GLU A 4 2.567 -10.867 -2.481 1.00 0.00 C ATOM 53 C GLU A 4 3.147 -9.582 -1.885 1.00 0.00 C ATOM 54 O GLU A 4 3.172 -9.398 -0.685 1.00 0.00 O ATOM 55 CB GLU A 4 1.163 -11.101 -1.919 1.00 0.00 C ATOM 56 CG GLU A 4 0.653 -12.470 -2.372 1.00 0.00 C ATOM 57 CD GLU A 4 0.489 -13.383 -1.156 1.00 0.00 C ATOM 58 OE1 GLU A 4 1.330 -13.319 -0.275 1.00 0.00 O ATOM 59 OE2 GLU A 4 -0.475 -14.130 -1.127 1.00 0.00 O ATOM 0 HA GLU A 4 2.513 -10.773 -3.566 1.00 0.00 H new ATOM 0 HB2 GLU A 4 1.183 -11.051 -0.830 1.00 0.00 H new ATOM 0 HB3 GLU A 4 0.487 -10.318 -2.262 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.300 -12.361 -2.889 1.00 0.00 H new ATOM 0 HG3 GLU A 4 1.352 -12.914 -3.081 1.00 0.00 H new ATOM 66 N LYS A 5 3.614 -8.690 -2.716 1.00 0.00 N ATOM 67 CA LYS A 5 4.190 -7.419 -2.196 1.00 0.00 C ATOM 68 C LYS A 5 3.892 -6.284 -3.178 1.00 0.00 C ATOM 69 O LYS A 5 4.190 -6.370 -4.352 1.00 0.00 O ATOM 70 CB LYS A 5 5.705 -7.571 -2.040 1.00 0.00 C ATOM 71 CG LYS A 5 6.243 -8.493 -3.137 1.00 0.00 C ATOM 72 CD LYS A 5 6.393 -9.912 -2.584 1.00 0.00 C ATOM 73 CE LYS A 5 7.733 -10.496 -3.036 1.00 0.00 C ATOM 74 NZ LYS A 5 8.513 -10.932 -1.843 1.00 0.00 N ATOM 0 H LYS A 5 3.621 -8.787 -3.731 1.00 0.00 H new ATOM 0 HA LYS A 5 3.745 -7.189 -1.228 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.187 -6.595 -2.102 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.941 -7.981 -1.058 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.565 -8.494 -3.991 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.205 -8.127 -3.495 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.339 -9.897 -1.495 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.574 -10.539 -2.935 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.567 -11.341 -3.704 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.295 -9.751 -3.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.424 -11.329 -2.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.683 -10.115 -1.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.977 -11.656 -1.324 1.00 0.00 H new ATOM 88 N ILE A 6 3.302 -5.218 -2.706 1.00 0.00 N ATOM 89 CA ILE A 6 2.983 -4.079 -3.612 1.00 0.00 C ATOM 90 C ILE A 6 3.901 -2.899 -3.288 1.00 0.00 C ATOM 91 O ILE A 6 4.508 -2.842 -2.237 1.00 0.00 O ATOM 92 CB ILE A 6 1.525 -3.663 -3.411 1.00 0.00 C ATOM 93 CG1 ILE A 6 0.648 -4.913 -3.305 1.00 0.00 C ATOM 94 CG2 ILE A 6 1.066 -2.818 -4.602 1.00 0.00 C ATOM 95 CD1 ILE A 6 -0.825 -4.514 -3.390 1.00 0.00 C ATOM 0 H ILE A 6 3.028 -5.088 -1.732 1.00 0.00 H new ATOM 0 HA ILE A 6 3.134 -4.383 -4.648 1.00 0.00 H new ATOM 0 HB ILE A 6 1.437 -3.078 -2.495 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.893 -5.611 -4.106 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.842 -5.427 -2.364 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.027 -2.522 -4.459 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.690 -1.928 -4.679 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.154 -3.402 -5.518 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.448 -5.405 -3.314 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.065 -3.833 -2.574 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.014 -4.019 -4.343 1.00 0.00 H new ATOM 107 N LEU A 7 4.012 -1.957 -4.185 1.00 0.00 N ATOM 108 CA LEU A 7 4.893 -0.784 -3.928 1.00 0.00 C ATOM 109 C LEU A 7 4.178 0.499 -4.359 1.00 0.00 C ATOM 110 O LEU A 7 4.015 0.765 -5.532 1.00 0.00 O ATOM 111 CB LEU A 7 6.186 -0.940 -4.729 1.00 0.00 C ATOM 112 CG LEU A 7 7.244 0.019 -4.187 1.00 0.00 C ATOM 113 CD1 LEU A 7 6.816 1.461 -4.462 1.00 0.00 C ATOM 114 CD2 LEU A 7 7.395 -0.188 -2.679 1.00 0.00 C ATOM 0 H LEU A 7 3.531 -1.950 -5.084 1.00 0.00 H new ATOM 0 HA LEU A 7 5.125 -0.728 -2.864 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.544 -1.967 -4.664 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.000 -0.734 -5.783 1.00 0.00 H new ATOM 0 HG LEU A 7 8.197 -0.177 -4.679 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.571 2.145 -4.075 1.00 0.00 H new ATOM 0 HD12 LEU A 7 6.708 1.610 -5.536 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.863 1.658 -3.971 1.00 0.00 H new ATOM 0 HD21 LEU A 7 8.150 0.496 -2.292 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.442 0.007 -2.188 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.701 -1.215 -2.482 1.00 0.00 H new ATOM 126 N ILE A 8 3.755 1.299 -3.419 1.00 0.00 N ATOM 127 CA ILE A 8 3.056 2.565 -3.778 1.00 0.00 C ATOM 128 C ILE A 8 4.088 3.685 -3.919 1.00 0.00 C ATOM 129 O ILE A 8 4.589 4.207 -2.942 1.00 0.00 O ATOM 130 CB ILE A 8 2.055 2.922 -2.677 1.00 0.00 C ATOM 131 CG1 ILE A 8 1.366 1.647 -2.185 1.00 0.00 C ATOM 132 CG2 ILE A 8 1.003 3.887 -3.230 1.00 0.00 C ATOM 133 CD1 ILE A 8 0.285 2.010 -1.165 1.00 0.00 C ATOM 0 H ILE A 8 3.863 1.131 -2.419 1.00 0.00 H new ATOM 0 HA ILE A 8 2.524 2.439 -4.721 1.00 0.00 H new ATOM 0 HB ILE A 8 2.582 3.397 -1.849 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.923 1.113 -3.026 1.00 0.00 H new ATOM 0 HG13 ILE A 8 2.097 0.978 -1.732 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.292 4.139 -2.444 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.492 4.795 -3.582 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.475 3.414 -4.058 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.205 1.101 -0.815 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.741 2.525 -0.319 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.452 2.663 -1.633 1.00 0.00 H new ATOM 145 N VAL A 9 4.417 4.056 -5.127 1.00 0.00 N ATOM 146 CA VAL A 9 5.424 5.137 -5.327 1.00 0.00 C ATOM 147 C VAL A 9 4.722 6.496 -5.381 1.00 0.00 C ATOM 148 O VAL A 9 4.253 6.923 -6.418 1.00 0.00 O ATOM 149 CB VAL A 9 6.171 4.900 -6.640 1.00 0.00 C ATOM 150 CG1 VAL A 9 7.489 5.677 -6.626 1.00 0.00 C ATOM 151 CG2 VAL A 9 6.464 3.407 -6.797 1.00 0.00 C ATOM 0 H VAL A 9 4.032 3.657 -5.983 1.00 0.00 H new ATOM 0 HA VAL A 9 6.130 5.128 -4.496 1.00 0.00 H new ATOM 0 HB VAL A 9 5.556 5.241 -7.473 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.021 5.508 -7.562 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.283 6.741 -6.513 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.103 5.336 -5.793 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.996 3.237 -7.733 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.078 3.067 -5.963 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.526 2.851 -6.807 1.00 0.00 H new ATOM 161 N ASP A 10 4.652 7.181 -4.274 1.00 0.00 N ATOM 162 CA ASP A 10 3.987 8.514 -4.264 1.00 0.00 C ATOM 163 C ASP A 10 4.711 9.436 -3.280 1.00 0.00 C ATOM 164 O ASP A 10 5.351 8.987 -2.350 1.00 0.00 O ATOM 165 CB ASP A 10 2.529 8.356 -3.832 1.00 0.00 C ATOM 166 CG ASP A 10 1.740 7.656 -4.940 1.00 0.00 C ATOM 167 OD1 ASP A 10 1.781 6.438 -4.991 1.00 0.00 O ATOM 168 OD2 ASP A 10 1.109 8.351 -5.720 1.00 0.00 O ATOM 0 H ASP A 10 5.026 6.876 -3.376 1.00 0.00 H new ATOM 0 HA ASP A 10 4.024 8.945 -5.264 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.473 7.777 -2.910 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.093 9.333 -3.622 1.00 0.00 H new ATOM 173 N ASP A 11 4.614 10.722 -3.479 1.00 0.00 N ATOM 174 CA ASP A 11 5.296 11.672 -2.555 1.00 0.00 C ATOM 175 C ASP A 11 4.246 12.490 -1.801 1.00 0.00 C ATOM 176 O ASP A 11 4.460 12.911 -0.682 1.00 0.00 O ATOM 177 CB ASP A 11 6.191 12.613 -3.363 1.00 0.00 C ATOM 178 CG ASP A 11 5.320 13.587 -4.157 1.00 0.00 C ATOM 179 OD1 ASP A 11 4.601 13.132 -5.031 1.00 0.00 O ATOM 180 OD2 ASP A 11 5.386 14.773 -3.878 1.00 0.00 O ATOM 0 H ASP A 11 4.092 11.156 -4.241 1.00 0.00 H new ATOM 0 HA ASP A 11 5.904 11.115 -1.842 1.00 0.00 H new ATOM 0 HB2 ASP A 11 6.855 13.163 -2.696 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.823 12.039 -4.040 1.00 0.00 H new ATOM 185 N GLN A 12 3.113 12.718 -2.407 1.00 0.00 N ATOM 186 CA GLN A 12 2.050 13.508 -1.726 1.00 0.00 C ATOM 187 C GLN A 12 1.503 12.712 -0.538 1.00 0.00 C ATOM 188 O GLN A 12 2.214 11.956 0.093 1.00 0.00 O ATOM 189 CB GLN A 12 0.918 13.794 -2.716 1.00 0.00 C ATOM 190 CG GLN A 12 0.266 15.136 -2.374 1.00 0.00 C ATOM 191 CD GLN A 12 0.000 15.917 -3.661 1.00 0.00 C ATOM 192 OE1 GLN A 12 0.913 16.438 -4.270 1.00 0.00 O ATOM 193 NE2 GLN A 12 -1.223 16.022 -4.104 1.00 0.00 N ATOM 0 H GLN A 12 2.878 12.391 -3.344 1.00 0.00 H new ATOM 0 HA GLN A 12 2.467 14.449 -1.368 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.308 13.816 -3.734 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.176 12.997 -2.676 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.668 14.972 -1.836 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.917 15.711 -1.715 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.990 15.585 -3.593 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.412 16.541 -4.961 1.00 0.00 H new ATOM 202 N TYR A 13 0.247 12.878 -0.228 1.00 0.00 N ATOM 203 CA TYR A 13 -0.341 12.131 0.921 1.00 0.00 C ATOM 204 C TYR A 13 -1.820 11.852 0.641 1.00 0.00 C ATOM 205 O TYR A 13 -2.407 12.414 -0.261 1.00 0.00 O ATOM 206 CB TYR A 13 -0.207 12.973 2.193 1.00 0.00 C ATOM 207 CG TYR A 13 -0.990 12.333 3.314 1.00 0.00 C ATOM 208 CD1 TYR A 13 -2.343 12.646 3.490 1.00 0.00 C ATOM 209 CD2 TYR A 13 -0.361 11.431 4.182 1.00 0.00 C ATOM 210 CE1 TYR A 13 -3.068 12.056 4.532 1.00 0.00 C ATOM 211 CE2 TYR A 13 -1.087 10.841 5.224 1.00 0.00 C ATOM 212 CZ TYR A 13 -2.440 11.154 5.399 1.00 0.00 C ATOM 213 OH TYR A 13 -3.155 10.573 6.426 1.00 0.00 O ATOM 0 H TYR A 13 -0.397 13.497 -0.719 1.00 0.00 H new ATOM 0 HA TYR A 13 0.186 11.186 1.054 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.843 13.060 2.474 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.573 13.983 2.012 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.827 13.343 2.822 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.683 11.191 4.048 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.112 12.297 4.667 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.603 10.144 5.893 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.570 9.972 6.932 1.00 0.00 H new ATOM 223 N GLY A 14 -2.424 10.982 1.403 1.00 0.00 N ATOM 224 CA GLY A 14 -3.861 10.661 1.173 1.00 0.00 C ATOM 225 C GLY A 14 -3.963 9.321 0.444 1.00 0.00 C ATOM 226 O GLY A 14 -4.136 8.286 1.053 1.00 0.00 O ATOM 0 H GLY A 14 -1.985 10.480 2.175 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.393 10.614 2.123 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.332 11.447 0.583 1.00 0.00 H new ATOM 230 N ILE A 15 -3.848 9.332 -0.855 1.00 0.00 N ATOM 231 CA ILE A 15 -3.926 8.058 -1.626 1.00 0.00 C ATOM 232 C ILE A 15 -2.958 7.040 -1.014 1.00 0.00 C ATOM 233 O ILE A 15 -3.361 6.043 -0.450 1.00 0.00 O ATOM 234 CB ILE A 15 -3.542 8.332 -3.087 1.00 0.00 C ATOM 235 CG1 ILE A 15 -4.747 8.917 -3.827 1.00 0.00 C ATOM 236 CG2 ILE A 15 -3.106 7.035 -3.775 1.00 0.00 C ATOM 237 CD1 ILE A 15 -4.366 10.268 -4.435 1.00 0.00 C ATOM 0 H ILE A 15 -3.703 10.170 -1.418 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.939 7.658 -1.588 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.713 9.040 -3.108 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.073 8.233 -4.610 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.585 9.039 -3.140 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.837 7.245 -4.810 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.244 6.618 -3.253 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.926 6.317 -3.752 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.224 10.685 -4.962 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.061 10.951 -3.642 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.541 10.133 -5.135 1.00 0.00 H new ATOM 249 N ARG A 16 -1.684 7.289 -1.135 1.00 0.00 N ATOM 250 CA ARG A 16 -0.668 6.347 -0.574 1.00 0.00 C ATOM 251 C ARG A 16 -1.133 5.815 0.786 1.00 0.00 C ATOM 252 O ARG A 16 -0.768 4.731 1.193 1.00 0.00 O ATOM 253 CB ARG A 16 0.681 7.066 -0.401 1.00 0.00 C ATOM 254 CG ARG A 16 0.472 8.580 -0.321 1.00 0.00 C ATOM 255 CD ARG A 16 0.626 9.189 -1.718 1.00 0.00 C ATOM 256 NE ARG A 16 -0.304 10.346 -1.858 1.00 0.00 N ATOM 257 CZ ARG A 16 -0.728 10.722 -3.037 1.00 0.00 C ATOM 258 NH1 ARG A 16 -0.337 10.096 -4.114 1.00 0.00 N ATOM 259 NH2 ARG A 16 -1.548 11.733 -3.138 1.00 0.00 N ATOM 0 H ARG A 16 -1.298 8.110 -1.601 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.550 5.514 -1.267 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.175 6.712 0.504 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.338 6.827 -1.237 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.518 8.801 0.077 1.00 0.00 H new ATOM 0 HG3 ARG A 16 1.196 9.023 0.363 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.655 9.514 -1.874 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.409 8.440 -2.479 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.613 10.849 -1.026 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.305 9.306 -4.040 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.673 10.397 -5.029 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.855 12.226 -2.300 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.881 12.030 -4.055 1.00 0.00 H new ATOM 273 N ILE A 17 -1.929 6.568 1.495 1.00 0.00 N ATOM 274 CA ILE A 17 -2.405 6.098 2.827 1.00 0.00 C ATOM 275 C ILE A 17 -3.546 5.091 2.646 1.00 0.00 C ATOM 276 O ILE A 17 -3.565 4.046 3.263 1.00 0.00 O ATOM 277 CB ILE A 17 -2.906 7.292 3.638 1.00 0.00 C ATOM 278 CG1 ILE A 17 -1.889 8.432 3.544 1.00 0.00 C ATOM 279 CG2 ILE A 17 -3.080 6.882 5.100 1.00 0.00 C ATOM 280 CD1 ILE A 17 -0.649 8.082 4.369 1.00 0.00 C ATOM 0 H ILE A 17 -2.270 7.486 1.210 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.581 5.617 3.353 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.865 7.625 3.240 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.611 8.600 2.504 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.332 9.359 3.909 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.437 7.735 5.677 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.804 6.070 5.166 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.123 6.548 5.501 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.074 8.895 4.301 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.934 7.936 5.411 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.202 7.165 3.984 1.00 0.00 H new ATOM 292 N LEU A 18 -4.500 5.400 1.811 1.00 0.00 N ATOM 293 CA LEU A 18 -5.639 4.463 1.599 1.00 0.00 C ATOM 294 C LEU A 18 -5.131 3.174 0.948 1.00 0.00 C ATOM 295 O LEU A 18 -5.347 2.090 1.449 1.00 0.00 O ATOM 296 CB LEU A 18 -6.675 5.120 0.685 1.00 0.00 C ATOM 297 CG LEU A 18 -7.836 5.651 1.527 1.00 0.00 C ATOM 298 CD1 LEU A 18 -7.287 6.484 2.687 1.00 0.00 C ATOM 299 CD2 LEU A 18 -8.739 6.527 0.655 1.00 0.00 C ATOM 0 H LEU A 18 -4.540 6.261 1.266 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.096 4.227 2.560 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.216 5.935 0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.042 4.398 -0.045 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.411 4.813 1.921 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.115 6.862 3.287 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.643 5.862 3.309 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.712 7.322 2.293 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.567 6.906 1.254 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.163 7.364 0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.131 5.935 -0.172 1.00 0.00 H new ATOM 311 N LEU A 19 -4.459 3.284 -0.164 1.00 0.00 N ATOM 312 CA LEU A 19 -3.940 2.065 -0.845 1.00 0.00 C ATOM 313 C LEU A 19 -3.003 1.318 0.102 1.00 0.00 C ATOM 314 O LEU A 19 -2.725 0.148 -0.073 1.00 0.00 O ATOM 315 CB LEU A 19 -3.176 2.477 -2.104 1.00 0.00 C ATOM 316 CG LEU A 19 -4.174 2.871 -3.192 1.00 0.00 C ATOM 317 CD1 LEU A 19 -4.844 4.195 -2.818 1.00 0.00 C ATOM 318 CD2 LEU A 19 -3.441 3.032 -4.525 1.00 0.00 C ATOM 0 H LEU A 19 -4.247 4.166 -0.631 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.770 1.415 -1.121 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.512 3.313 -1.883 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.550 1.654 -2.449 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.932 2.093 -3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.556 4.475 -3.595 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.368 4.082 -1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.086 4.972 -2.723 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.154 3.313 -5.300 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.682 3.808 -4.431 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.965 2.089 -4.794 1.00 0.00 H new ATOM 330 N ASN A 20 -2.518 1.988 1.107 1.00 0.00 N ATOM 331 CA ASN A 20 -1.597 1.328 2.075 1.00 0.00 C ATOM 332 C ASN A 20 -2.406 0.460 3.041 1.00 0.00 C ATOM 333 O ASN A 20 -2.285 -0.749 3.054 1.00 0.00 O ATOM 334 CB ASN A 20 -0.840 2.398 2.865 1.00 0.00 C ATOM 335 CG ASN A 20 0.030 1.728 3.930 1.00 0.00 C ATOM 336 OD1 ASN A 20 0.446 0.598 3.769 1.00 0.00 O ATOM 337 ND2 ASN A 20 0.323 2.382 5.020 1.00 0.00 N ATOM 0 H ASN A 20 -2.720 2.969 1.302 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.887 0.703 1.533 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.219 2.990 2.193 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.544 3.084 3.335 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.901 1.945 5.737 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.026 3.331 5.155 1.00 0.00 H new ATOM 344 N GLU A 21 -3.227 1.067 3.854 1.00 0.00 N ATOM 345 CA GLU A 21 -4.041 0.280 4.823 1.00 0.00 C ATOM 346 C GLU A 21 -5.079 -0.554 4.068 1.00 0.00 C ATOM 347 O GLU A 21 -5.763 -1.378 4.642 1.00 0.00 O ATOM 348 CB GLU A 21 -4.755 1.235 5.781 1.00 0.00 C ATOM 349 CG GLU A 21 -3.720 2.085 6.521 1.00 0.00 C ATOM 350 CD GLU A 21 -4.242 2.424 7.918 1.00 0.00 C ATOM 351 OE1 GLU A 21 -4.735 1.525 8.579 1.00 0.00 O ATOM 352 OE2 GLU A 21 -4.140 3.577 8.303 1.00 0.00 O ATOM 0 H GLU A 21 -3.369 2.076 3.889 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.387 -0.384 5.388 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.440 1.877 5.227 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.354 0.670 6.495 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.776 1.545 6.595 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.520 3.000 5.964 1.00 0.00 H new ATOM 359 N VAL A 22 -5.205 -0.346 2.786 1.00 0.00 N ATOM 360 CA VAL A 22 -6.200 -1.128 2.000 1.00 0.00 C ATOM 361 C VAL A 22 -5.555 -2.425 1.508 1.00 0.00 C ATOM 362 O VAL A 22 -6.022 -3.510 1.793 1.00 0.00 O ATOM 363 CB VAL A 22 -6.667 -0.301 0.800 1.00 0.00 C ATOM 364 CG1 VAL A 22 -7.440 -1.197 -0.170 1.00 0.00 C ATOM 365 CG2 VAL A 22 -7.579 0.828 1.285 1.00 0.00 C ATOM 0 H VAL A 22 -4.662 0.331 2.250 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.056 -1.365 2.631 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.800 0.122 0.291 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.772 -0.607 -1.024 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.793 -2.003 -0.515 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.307 -1.620 0.338 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.913 1.418 0.432 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.445 0.403 1.793 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.030 1.468 1.976 1.00 0.00 H new ATOM 375 N PHE A 23 -4.483 -2.322 0.772 1.00 0.00 N ATOM 376 CA PHE A 23 -3.808 -3.550 0.265 1.00 0.00 C ATOM 377 C PHE A 23 -3.290 -4.372 1.447 1.00 0.00 C ATOM 378 O PHE A 23 -3.182 -5.581 1.376 1.00 0.00 O ATOM 379 CB PHE A 23 -2.636 -3.153 -0.634 1.00 0.00 C ATOM 380 CG PHE A 23 -3.164 -2.588 -1.931 1.00 0.00 C ATOM 381 CD1 PHE A 23 -4.209 -3.234 -2.602 1.00 0.00 C ATOM 382 CD2 PHE A 23 -2.607 -1.419 -2.462 1.00 0.00 C ATOM 383 CE1 PHE A 23 -4.698 -2.710 -3.804 1.00 0.00 C ATOM 384 CE2 PHE A 23 -3.096 -0.894 -3.665 1.00 0.00 C ATOM 385 CZ PHE A 23 -4.142 -1.539 -4.336 1.00 0.00 C ATOM 0 H PHE A 23 -4.046 -1.442 0.500 1.00 0.00 H new ATOM 0 HA PHE A 23 -4.519 -4.146 -0.307 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.012 -2.414 -0.131 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.006 -4.020 -0.833 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.638 -4.137 -2.192 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -1.800 -0.922 -1.944 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -5.504 -3.208 -4.322 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.666 0.008 -4.075 1.00 0.00 H new ATOM 0 HZ PHE A 23 -4.520 -1.134 -5.263 1.00 0.00 H new ATOM 395 N ASN A 24 -2.967 -3.726 2.533 1.00 0.00 N ATOM 396 CA ASN A 24 -2.456 -4.470 3.719 1.00 0.00 C ATOM 397 C ASN A 24 -3.555 -5.391 4.255 1.00 0.00 C ATOM 398 O ASN A 24 -3.397 -6.594 4.311 1.00 0.00 O ATOM 399 CB ASN A 24 -2.048 -3.477 4.809 1.00 0.00 C ATOM 400 CG ASN A 24 -0.532 -3.278 4.779 1.00 0.00 C ATOM 401 OD1 ASN A 24 0.186 -3.878 5.554 1.00 0.00 O ATOM 402 ND2 ASN A 24 -0.010 -2.456 3.909 1.00 0.00 N ATOM 0 H ASN A 24 -3.035 -2.715 2.651 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.591 -5.066 3.428 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.553 -2.524 4.654 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.357 -3.847 5.787 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.000 -2.318 3.880 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.612 -1.952 3.258 1.00 0.00 H new ATOM 409 N LYS A 25 -4.667 -4.835 4.650 1.00 0.00 N ATOM 410 CA LYS A 25 -5.775 -5.678 5.181 1.00 0.00 C ATOM 411 C LYS A 25 -6.171 -6.720 4.133 1.00 0.00 C ATOM 412 O LYS A 25 -6.181 -7.906 4.396 1.00 0.00 O ATOM 413 CB LYS A 25 -6.982 -4.793 5.501 1.00 0.00 C ATOM 414 CG LYS A 25 -7.332 -4.925 6.985 1.00 0.00 C ATOM 415 CD LYS A 25 -8.093 -3.680 7.443 1.00 0.00 C ATOM 416 CE LYS A 25 -9.347 -4.101 8.211 1.00 0.00 C ATOM 417 NZ LYS A 25 -10.555 -3.805 7.391 1.00 0.00 N ATOM 0 H LYS A 25 -4.856 -3.833 4.628 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.444 -6.183 6.088 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.758 -3.754 5.260 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.834 -5.086 4.888 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.939 -5.816 7.148 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.423 -5.046 7.574 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.455 -3.064 8.077 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.369 -3.072 6.581 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.304 -5.165 8.443 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.400 -3.569 9.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.408 -4.091 7.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.597 -2.785 7.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.504 -4.332 6.496 1.00 0.00 H new ATOM 431 N GLU A 26 -6.497 -6.287 2.946 1.00 0.00 N ATOM 432 CA GLU A 26 -6.892 -7.254 1.882 1.00 0.00 C ATOM 433 C GLU A 26 -5.922 -8.438 1.884 1.00 0.00 C ATOM 434 O GLU A 26 -6.264 -9.532 1.483 1.00 0.00 O ATOM 435 CB GLU A 26 -6.846 -6.559 0.520 1.00 0.00 C ATOM 436 CG GLU A 26 -8.026 -7.031 -0.333 1.00 0.00 C ATOM 437 CD GLU A 26 -8.508 -5.880 -1.219 1.00 0.00 C ATOM 438 OE1 GLU A 26 -8.115 -4.754 -0.959 1.00 0.00 O ATOM 439 OE2 GLU A 26 -9.260 -6.144 -2.143 1.00 0.00 O ATOM 0 H GLU A 26 -6.507 -5.306 2.667 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.903 -7.613 2.073 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.887 -5.478 0.650 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.906 -6.784 0.016 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.727 -7.878 -0.950 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.838 -7.375 0.308 1.00 0.00 H new ATOM 446 N GLY A 27 -4.715 -8.227 2.334 1.00 0.00 N ATOM 447 CA GLY A 27 -3.726 -9.343 2.360 1.00 0.00 C ATOM 448 C GLY A 27 -2.599 -9.051 1.368 1.00 0.00 C ATOM 449 O GLY A 27 -2.315 -9.837 0.487 1.00 0.00 O ATOM 0 H GLY A 27 -4.371 -7.333 2.684 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.319 -9.459 3.365 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.216 -10.283 2.104 1.00 0.00 H new ATOM 453 N TYR A 28 -1.954 -7.923 1.504 1.00 0.00 N ATOM 454 CA TYR A 28 -0.846 -7.583 0.568 1.00 0.00 C ATOM 455 C TYR A 28 0.210 -6.757 1.306 1.00 0.00 C ATOM 456 O TYR A 28 -0.106 -5.848 2.047 1.00 0.00 O ATOM 457 CB TYR A 28 -1.400 -6.768 -0.604 1.00 0.00 C ATOM 458 CG TYR A 28 -2.448 -7.577 -1.328 1.00 0.00 C ATOM 459 CD1 TYR A 28 -3.763 -7.608 -0.849 1.00 0.00 C ATOM 460 CD2 TYR A 28 -2.106 -8.297 -2.479 1.00 0.00 C ATOM 461 CE1 TYR A 28 -4.736 -8.357 -1.521 1.00 0.00 C ATOM 462 CE2 TYR A 28 -3.079 -9.047 -3.151 1.00 0.00 C ATOM 463 CZ TYR A 28 -4.394 -9.078 -2.672 1.00 0.00 C ATOM 464 OH TYR A 28 -5.353 -9.816 -3.334 1.00 0.00 O ATOM 0 H TYR A 28 -2.147 -7.224 2.222 1.00 0.00 H new ATOM 0 HA TYR A 28 -0.394 -8.501 0.192 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.832 -5.836 -0.241 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.595 -6.501 -1.288 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.027 -7.054 0.040 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.091 -8.274 -2.849 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.751 -8.379 -1.152 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -2.815 -9.602 -4.039 1.00 0.00 H new ATOM 0 HH TYR A 28 -4.949 -10.254 -4.112 1.00 0.00 H new ATOM 474 N GLN A 29 1.462 -7.066 1.109 1.00 0.00 N ATOM 475 CA GLN A 29 2.536 -6.296 1.797 1.00 0.00 C ATOM 476 C GLN A 29 2.951 -5.112 0.922 1.00 0.00 C ATOM 477 O GLN A 29 3.927 -5.173 0.201 1.00 0.00 O ATOM 478 CB GLN A 29 3.744 -7.205 2.033 1.00 0.00 C ATOM 479 CG GLN A 29 3.386 -8.274 3.067 1.00 0.00 C ATOM 480 CD GLN A 29 4.036 -7.927 4.408 1.00 0.00 C ATOM 481 OE1 GLN A 29 4.974 -8.574 4.828 1.00 0.00 O ATOM 482 NE2 GLN A 29 3.574 -6.922 5.102 1.00 0.00 N ATOM 0 H GLN A 29 1.788 -7.818 0.502 1.00 0.00 H new ATOM 0 HA GLN A 29 2.166 -5.929 2.754 1.00 0.00 H new ATOM 0 HB2 GLN A 29 4.046 -7.676 1.098 1.00 0.00 H new ATOM 0 HB3 GLN A 29 4.592 -6.616 2.382 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.304 -8.336 3.181 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.728 -9.252 2.728 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.786 -6.378 4.750 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.001 -6.681 5.996 1.00 0.00 H new ATOM 491 N THR A 30 2.216 -4.037 0.978 1.00 0.00 N ATOM 492 CA THR A 30 2.566 -2.851 0.147 1.00 0.00 C ATOM 493 C THR A 30 3.510 -1.936 0.930 1.00 0.00 C ATOM 494 O THR A 30 3.424 -1.826 2.137 1.00 0.00 O ATOM 495 CB THR A 30 1.291 -2.082 -0.208 1.00 0.00 C ATOM 496 OG1 THR A 30 0.904 -1.275 0.896 1.00 0.00 O ATOM 497 CG2 THR A 30 0.172 -3.071 -0.538 1.00 0.00 C ATOM 0 H THR A 30 1.388 -3.928 1.563 1.00 0.00 H new ATOM 0 HA THR A 30 3.058 -3.183 -0.767 1.00 0.00 H new ATOM 0 HB THR A 30 1.478 -1.447 -1.074 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.071 -1.300 0.993 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.735 -2.523 -0.791 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.470 -3.689 -1.385 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.018 -3.708 0.326 1.00 0.00 H new ATOM 505 N PHE A 31 4.409 -1.277 0.251 1.00 0.00 N ATOM 506 CA PHE A 31 5.355 -0.368 0.954 1.00 0.00 C ATOM 507 C PHE A 31 5.117 1.070 0.488 1.00 0.00 C ATOM 508 O PHE A 31 4.245 1.334 -0.315 1.00 0.00 O ATOM 509 CB PHE A 31 6.793 -0.778 0.630 1.00 0.00 C ATOM 510 CG PHE A 31 6.937 -2.273 0.782 1.00 0.00 C ATOM 511 CD1 PHE A 31 6.625 -2.887 2.000 1.00 0.00 C ATOM 512 CD2 PHE A 31 7.382 -3.047 -0.298 1.00 0.00 C ATOM 513 CE1 PHE A 31 6.758 -4.273 2.141 1.00 0.00 C ATOM 514 CE2 PHE A 31 7.515 -4.433 -0.157 1.00 0.00 C ATOM 515 CZ PHE A 31 7.203 -5.047 1.063 1.00 0.00 C ATOM 0 H PHE A 31 4.528 -1.330 -0.761 1.00 0.00 H new ATOM 0 HA PHE A 31 5.193 -0.434 2.030 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.047 -0.479 -0.387 1.00 0.00 H new ATOM 0 HB3 PHE A 31 7.487 -0.266 1.296 1.00 0.00 H new ATOM 0 HD1 PHE A 31 6.281 -2.291 2.832 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.622 -2.574 -1.239 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.517 -4.746 3.082 1.00 0.00 H new ATOM 0 HE2 PHE A 31 7.858 -5.030 -0.989 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.306 -6.117 1.172 1.00 0.00 H new ATOM 525 N GLN A 32 5.882 2.001 0.987 1.00 0.00 N ATOM 526 CA GLN A 32 5.693 3.420 0.571 1.00 0.00 C ATOM 527 C GLN A 32 6.996 3.957 -0.024 1.00 0.00 C ATOM 528 O GLN A 32 8.069 3.737 0.503 1.00 0.00 O ATOM 529 CB GLN A 32 5.302 4.261 1.788 1.00 0.00 C ATOM 530 CG GLN A 32 4.035 3.683 2.422 1.00 0.00 C ATOM 531 CD GLN A 32 3.122 4.825 2.870 1.00 0.00 C ATOM 532 OE1 GLN A 32 2.797 5.700 2.092 1.00 0.00 O ATOM 533 NE2 GLN A 32 2.689 4.854 4.101 1.00 0.00 N ATOM 0 H GLN A 32 6.629 1.842 1.664 1.00 0.00 H new ATOM 0 HA GLN A 32 4.903 3.476 -0.178 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.114 4.268 2.515 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.133 5.295 1.489 1.00 0.00 H new ATOM 0 HG2 GLN A 32 3.515 3.047 1.706 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.296 3.056 3.275 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.961 4.120 4.755 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.078 5.611 4.409 1.00 0.00 H new ATOM 542 N ALA A 33 6.911 4.664 -1.118 1.00 0.00 N ATOM 543 CA ALA A 33 8.143 5.218 -1.746 1.00 0.00 C ATOM 544 C ALA A 33 7.849 6.614 -2.298 1.00 0.00 C ATOM 545 O ALA A 33 6.768 7.143 -2.129 1.00 0.00 O ATOM 546 CB ALA A 33 8.592 4.302 -2.887 1.00 0.00 C ATOM 0 H ALA A 33 6.041 4.882 -1.604 1.00 0.00 H new ATOM 0 HA ALA A 33 8.935 5.281 -0.999 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.493 4.708 -3.346 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.801 3.307 -2.494 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.801 4.238 -3.635 1.00 0.00 H new ATOM 552 N ALA A 34 8.800 7.216 -2.959 1.00 0.00 N ATOM 553 CA ALA A 34 8.571 8.576 -3.521 1.00 0.00 C ATOM 554 C ALA A 34 9.425 8.760 -4.777 1.00 0.00 C ATOM 555 O ALA A 34 8.962 8.577 -5.885 1.00 0.00 O ATOM 556 CB ALA A 34 8.960 9.629 -2.481 1.00 0.00 C ATOM 0 H ALA A 34 9.725 6.824 -3.134 1.00 0.00 H new ATOM 0 HA ALA A 34 7.518 8.690 -3.778 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.793 10.625 -2.891 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.352 9.499 -1.586 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.013 9.515 -2.224 1.00 0.00 H new ATOM 562 N ASN A 35 10.667 9.121 -4.613 1.00 0.00 N ATOM 563 CA ASN A 35 11.549 9.317 -5.798 1.00 0.00 C ATOM 564 C ASN A 35 11.710 7.989 -6.539 1.00 0.00 C ATOM 565 O ASN A 35 11.889 6.948 -5.938 1.00 0.00 O ATOM 566 CB ASN A 35 12.921 9.813 -5.336 1.00 0.00 C ATOM 567 CG ASN A 35 13.530 8.801 -4.365 1.00 0.00 C ATOM 568 OD1 ASN A 35 12.822 8.170 -3.605 1.00 0.00 O ATOM 569 ND2 ASN A 35 14.822 8.617 -4.357 1.00 0.00 N ATOM 0 H ASN A 35 11.110 9.289 -3.710 1.00 0.00 H new ATOM 0 HA ASN A 35 11.102 10.054 -6.466 1.00 0.00 H new ATOM 0 HB2 ASN A 35 13.578 9.949 -6.195 1.00 0.00 H new ATOM 0 HB3 ASN A 35 12.824 10.785 -4.851 1.00 0.00 H new ATOM 0 HD21 ASN A 35 15.237 7.944 -3.713 1.00 0.00 H new ATOM 0 HD22 ASN A 35 15.416 9.146 -4.995 1.00 0.00 H new ATOM 576 N GLY A 36 11.646 8.015 -7.843 1.00 0.00 N ATOM 577 CA GLY A 36 11.796 6.753 -8.621 1.00 0.00 C ATOM 578 C GLY A 36 12.975 5.949 -8.073 1.00 0.00 C ATOM 579 O GLY A 36 12.982 4.735 -8.110 1.00 0.00 O ATOM 0 H GLY A 36 11.496 8.855 -8.402 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.881 6.164 -8.558 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.957 6.981 -9.675 1.00 0.00 H new ATOM 583 N LEU A 37 13.974 6.616 -7.562 1.00 0.00 N ATOM 584 CA LEU A 37 15.151 5.888 -7.012 1.00 0.00 C ATOM 585 C LEU A 37 14.697 4.967 -5.879 1.00 0.00 C ATOM 586 O LEU A 37 15.021 3.797 -5.848 1.00 0.00 O ATOM 587 CB LEU A 37 16.169 6.895 -6.474 1.00 0.00 C ATOM 588 CG LEU A 37 17.529 6.650 -7.129 1.00 0.00 C ATOM 589 CD1 LEU A 37 18.588 7.521 -6.452 1.00 0.00 C ATOM 590 CD2 LEU A 37 17.908 5.175 -6.975 1.00 0.00 C ATOM 0 H LEU A 37 14.025 7.633 -7.502 1.00 0.00 H new ATOM 0 HA LEU A 37 15.611 5.294 -7.801 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.833 7.912 -6.679 1.00 0.00 H new ATOM 0 HB3 LEU A 37 16.253 6.799 -5.391 1.00 0.00 H new ATOM 0 HG LEU A 37 17.474 6.905 -8.187 1.00 0.00 H new ATOM 0 HD11 LEU A 37 19.557 7.345 -6.920 1.00 0.00 H new ATOM 0 HD12 LEU A 37 18.318 8.572 -6.560 1.00 0.00 H new ATOM 0 HD13 LEU A 37 18.645 7.268 -5.393 1.00 0.00 H new ATOM 0 HD21 LEU A 37 18.877 4.998 -7.441 1.00 0.00 H new ATOM 0 HD22 LEU A 37 17.963 4.922 -5.916 1.00 0.00 H new ATOM 0 HD23 LEU A 37 17.154 4.553 -7.458 1.00 0.00 H new ATOM 602 N GLN A 38 13.945 5.486 -4.946 1.00 0.00 N ATOM 603 CA GLN A 38 13.469 4.640 -3.815 1.00 0.00 C ATOM 604 C GLN A 38 12.593 3.511 -4.358 1.00 0.00 C ATOM 605 O GLN A 38 12.806 2.351 -4.067 1.00 0.00 O ATOM 606 CB GLN A 38 12.655 5.498 -2.845 1.00 0.00 C ATOM 607 CG GLN A 38 12.306 4.675 -1.604 1.00 0.00 C ATOM 608 CD GLN A 38 13.591 4.144 -0.966 1.00 0.00 C ATOM 609 OE1 GLN A 38 14.720 4.755 -1.200 1.00 0.00 O flip ATOM 610 NE2 GLN A 38 13.568 3.164 -0.248 1.00 0.00 N flip ATOM 0 H GLN A 38 13.640 6.459 -4.919 1.00 0.00 H new ATOM 0 HA GLN A 38 14.326 4.215 -3.292 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.225 6.382 -2.559 1.00 0.00 H new ATOM 0 HB3 GLN A 38 11.744 5.849 -3.330 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.759 5.290 -0.889 1.00 0.00 H new ATOM 0 HG3 GLN A 38 11.653 3.846 -1.876 1.00 0.00 H new ATOM 0 HE21 GLN A 38 12.685 2.686 -0.065 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.431 2.819 0.172 1.00 0.00 H new ATOM 619 N ALA A 39 11.606 3.840 -5.146 1.00 0.00 N ATOM 620 CA ALA A 39 10.715 2.786 -5.707 1.00 0.00 C ATOM 621 C ALA A 39 11.561 1.615 -6.212 1.00 0.00 C ATOM 622 O ALA A 39 11.325 0.473 -5.872 1.00 0.00 O ATOM 623 CB ALA A 39 9.906 3.369 -6.867 1.00 0.00 C ATOM 0 H ALA A 39 11.378 4.794 -5.426 1.00 0.00 H new ATOM 0 HA ALA A 39 10.036 2.433 -4.930 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.253 2.599 -7.279 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.302 4.202 -6.507 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.585 3.722 -7.643 1.00 0.00 H new ATOM 629 N LEU A 40 12.545 1.889 -7.024 1.00 0.00 N ATOM 630 CA LEU A 40 13.403 0.792 -7.553 1.00 0.00 C ATOM 631 C LEU A 40 14.084 0.067 -6.390 1.00 0.00 C ATOM 632 O LEU A 40 14.250 -1.137 -6.408 1.00 0.00 O ATOM 633 CB LEU A 40 14.469 1.380 -8.479 1.00 0.00 C ATOM 634 CG LEU A 40 13.792 2.068 -9.665 1.00 0.00 C ATOM 635 CD1 LEU A 40 14.753 3.083 -10.287 1.00 0.00 C ATOM 636 CD2 LEU A 40 13.412 1.019 -10.712 1.00 0.00 C ATOM 0 H LEU A 40 12.792 2.826 -7.344 1.00 0.00 H new ATOM 0 HA LEU A 40 12.786 0.086 -8.109 1.00 0.00 H new ATOM 0 HB2 LEU A 40 15.085 2.095 -7.934 1.00 0.00 H new ATOM 0 HB3 LEU A 40 15.133 0.592 -8.833 1.00 0.00 H new ATOM 0 HG LEU A 40 12.895 2.583 -9.321 1.00 0.00 H new ATOM 0 HD11 LEU A 40 14.269 3.572 -11.132 1.00 0.00 H new ATOM 0 HD12 LEU A 40 15.025 3.831 -9.542 1.00 0.00 H new ATOM 0 HD13 LEU A 40 15.651 2.570 -10.631 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.929 1.508 -11.558 1.00 0.00 H new ATOM 0 HD22 LEU A 40 14.310 0.504 -11.054 1.00 0.00 H new ATOM 0 HD23 LEU A 40 12.726 0.296 -10.271 1.00 0.00 H new ATOM 648 N ASP A 41 14.481 0.788 -5.377 1.00 0.00 N ATOM 649 CA ASP A 41 15.152 0.139 -4.216 1.00 0.00 C ATOM 650 C ASP A 41 14.224 -0.920 -3.615 1.00 0.00 C ATOM 651 O ASP A 41 14.557 -2.087 -3.550 1.00 0.00 O ATOM 652 CB ASP A 41 15.474 1.194 -3.156 1.00 0.00 C ATOM 653 CG ASP A 41 16.990 1.295 -2.980 1.00 0.00 C ATOM 654 OD1 ASP A 41 17.639 1.802 -3.880 1.00 0.00 O ATOM 655 OD2 ASP A 41 17.477 0.862 -1.948 1.00 0.00 O ATOM 0 H ASP A 41 14.369 1.799 -5.304 1.00 0.00 H new ATOM 0 HA ASP A 41 16.075 -0.334 -4.550 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.067 2.160 -3.454 1.00 0.00 H new ATOM 0 HB3 ASP A 41 15.004 0.928 -2.209 1.00 0.00 H new ATOM 660 N ILE A 42 13.062 -0.523 -3.174 1.00 0.00 N ATOM 661 CA ILE A 42 12.115 -1.506 -2.578 1.00 0.00 C ATOM 662 C ILE A 42 11.728 -2.548 -3.630 1.00 0.00 C ATOM 663 O ILE A 42 11.269 -3.626 -3.310 1.00 0.00 O ATOM 664 CB ILE A 42 10.859 -0.776 -2.097 1.00 0.00 C ATOM 665 CG1 ILE A 42 11.192 0.037 -0.844 1.00 0.00 C ATOM 666 CG2 ILE A 42 9.768 -1.795 -1.767 1.00 0.00 C ATOM 667 CD1 ILE A 42 10.565 1.428 -0.954 1.00 0.00 C ATOM 0 H ILE A 42 12.728 0.440 -3.201 1.00 0.00 H new ATOM 0 HA ILE A 42 12.593 -2.004 -1.734 1.00 0.00 H new ATOM 0 HB ILE A 42 10.505 -0.108 -2.882 1.00 0.00 H new ATOM 0 HG12 ILE A 42 10.817 -0.473 0.043 1.00 0.00 H new ATOM 0 HG13 ILE A 42 12.273 0.122 -0.730 1.00 0.00 H new ATOM 0 HG21 ILE A 42 8.874 -1.273 -1.425 1.00 0.00 H new ATOM 0 HG22 ILE A 42 9.530 -2.375 -2.659 1.00 0.00 H new ATOM 0 HG23 ILE A 42 10.121 -2.464 -0.982 1.00 0.00 H new ATOM 0 HD11 ILE A 42 10.803 2.006 -0.061 1.00 0.00 H new ATOM 0 HD12 ILE A 42 10.962 1.937 -1.832 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.483 1.333 -1.047 1.00 0.00 H new ATOM 679 N VAL A 43 11.909 -2.236 -4.884 1.00 0.00 N ATOM 680 CA VAL A 43 11.552 -3.210 -5.953 1.00 0.00 C ATOM 681 C VAL A 43 12.683 -4.229 -6.114 1.00 0.00 C ATOM 682 O VAL A 43 12.472 -5.338 -6.565 1.00 0.00 O ATOM 683 CB VAL A 43 11.345 -2.466 -7.273 1.00 0.00 C ATOM 684 CG1 VAL A 43 11.008 -3.468 -8.378 1.00 0.00 C ATOM 685 CG2 VAL A 43 10.192 -1.470 -7.121 1.00 0.00 C ATOM 0 H VAL A 43 12.289 -1.349 -5.214 1.00 0.00 H new ATOM 0 HA VAL A 43 10.633 -3.728 -5.680 1.00 0.00 H new ATOM 0 HB VAL A 43 12.258 -1.931 -7.534 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.861 -2.937 -9.318 1.00 0.00 H new ATOM 0 HG12 VAL A 43 11.827 -4.178 -8.487 1.00 0.00 H new ATOM 0 HG13 VAL A 43 10.095 -4.004 -8.117 1.00 0.00 H new ATOM 0 HG21 VAL A 43 10.044 -0.939 -8.061 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.280 -2.006 -6.859 1.00 0.00 H new ATOM 0 HG23 VAL A 43 10.431 -0.755 -6.334 1.00 0.00 H new ATOM 695 N THR A 44 13.880 -3.863 -5.750 1.00 0.00 N ATOM 696 CA THR A 44 15.022 -4.811 -5.884 1.00 0.00 C ATOM 697 C THR A 44 15.162 -5.628 -4.597 1.00 0.00 C ATOM 698 O THR A 44 15.643 -6.744 -4.609 1.00 0.00 O ATOM 699 CB THR A 44 16.311 -4.023 -6.130 1.00 0.00 C ATOM 700 OG1 THR A 44 16.133 -3.164 -7.247 1.00 0.00 O ATOM 701 CG2 THR A 44 17.460 -4.994 -6.408 1.00 0.00 C ATOM 0 H THR A 44 14.117 -2.949 -5.365 1.00 0.00 H new ATOM 0 HA THR A 44 14.840 -5.483 -6.722 1.00 0.00 H new ATOM 0 HB THR A 44 16.547 -3.428 -5.248 1.00 0.00 H new ATOM 0 HG1 THR A 44 15.535 -2.427 -7.001 1.00 0.00 H new ATOM 0 HG21 THR A 44 18.377 -4.432 -6.583 1.00 0.00 H new ATOM 0 HG22 THR A 44 17.596 -5.652 -5.550 1.00 0.00 H new ATOM 0 HG23 THR A 44 17.227 -5.591 -7.290 1.00 0.00 H new ATOM 709 N LYS A 45 14.746 -5.082 -3.487 1.00 0.00 N ATOM 710 CA LYS A 45 14.857 -5.828 -2.203 1.00 0.00 C ATOM 711 C LYS A 45 13.584 -6.646 -1.975 1.00 0.00 C ATOM 712 O LYS A 45 13.612 -7.700 -1.371 1.00 0.00 O ATOM 713 CB LYS A 45 15.039 -4.837 -1.052 1.00 0.00 C ATOM 714 CG LYS A 45 16.515 -4.449 -0.939 1.00 0.00 C ATOM 715 CD LYS A 45 17.042 -4.045 -2.317 1.00 0.00 C ATOM 716 CE LYS A 45 18.519 -3.663 -2.207 1.00 0.00 C ATOM 717 NZ LYS A 45 19.319 -4.492 -3.153 1.00 0.00 N ATOM 0 H LYS A 45 14.334 -4.152 -3.414 1.00 0.00 H new ATOM 0 HA LYS A 45 15.716 -6.498 -2.246 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.431 -3.949 -1.224 1.00 0.00 H new ATOM 0 HB3 LYS A 45 14.697 -5.282 -0.118 1.00 0.00 H new ATOM 0 HG2 LYS A 45 16.633 -3.624 -0.236 1.00 0.00 H new ATOM 0 HG3 LYS A 45 17.093 -5.286 -0.547 1.00 0.00 H new ATOM 0 HD2 LYS A 45 16.920 -4.869 -3.020 1.00 0.00 H new ATOM 0 HD3 LYS A 45 16.466 -3.205 -2.706 1.00 0.00 H new ATOM 0 HE2 LYS A 45 18.650 -2.605 -2.434 1.00 0.00 H new ATOM 0 HE3 LYS A 45 18.870 -3.816 -1.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 20.323 -4.232 -3.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 19.203 -5.498 -2.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 18.990 -4.325 -4.125 1.00 0.00 H new ATOM 731 N GLU A 46 12.468 -6.170 -2.453 1.00 0.00 N ATOM 732 CA GLU A 46 11.195 -6.922 -2.263 1.00 0.00 C ATOM 733 C GLU A 46 10.724 -7.475 -3.609 1.00 0.00 C ATOM 734 O GLU A 46 10.165 -8.551 -3.687 1.00 0.00 O ATOM 735 CB GLU A 46 10.129 -5.983 -1.695 1.00 0.00 C ATOM 736 CG GLU A 46 10.691 -5.247 -0.477 1.00 0.00 C ATOM 737 CD GLU A 46 10.553 -6.132 0.763 1.00 0.00 C ATOM 738 OE1 GLU A 46 9.429 -6.375 1.170 1.00 0.00 O ATOM 739 OE2 GLU A 46 11.572 -6.551 1.285 1.00 0.00 O ATOM 0 H GLU A 46 12.382 -5.293 -2.967 1.00 0.00 H new ATOM 0 HA GLU A 46 11.359 -7.747 -1.570 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.819 -5.266 -2.455 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.243 -6.551 -1.412 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.739 -4.995 -0.642 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.157 -4.308 -0.328 1.00 0.00 H new ATOM 746 N ARG A 47 10.944 -6.748 -4.670 1.00 0.00 N ATOM 747 CA ARG A 47 10.507 -7.234 -6.009 1.00 0.00 C ATOM 748 C ARG A 47 9.004 -7.525 -5.981 1.00 0.00 C ATOM 749 O ARG A 47 8.594 -8.667 -6.041 1.00 0.00 O ATOM 750 CB ARG A 47 11.269 -8.514 -6.360 1.00 0.00 C ATOM 751 CG ARG A 47 12.619 -8.151 -6.981 1.00 0.00 C ATOM 752 CD ARG A 47 13.112 -9.311 -7.848 1.00 0.00 C ATOM 753 NE ARG A 47 14.602 -9.330 -7.851 1.00 0.00 N ATOM 754 CZ ARG A 47 15.256 -9.726 -6.792 1.00 0.00 C ATOM 755 NH1 ARG A 47 14.608 -10.107 -5.723 1.00 0.00 N ATOM 756 NH2 ARG A 47 16.561 -9.740 -6.799 1.00 0.00 N ATOM 0 H ARG A 47 11.407 -5.839 -4.668 1.00 0.00 H new ATOM 0 HA ARG A 47 10.715 -6.471 -6.759 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.419 -9.117 -5.465 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.687 -9.117 -7.057 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.523 -7.248 -7.584 1.00 0.00 H new ATOM 0 HG3 ARG A 47 13.345 -7.935 -6.197 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.726 -10.255 -7.464 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.737 -9.204 -8.866 1.00 0.00 H new ATOM 0 HE ARG A 47 15.113 -9.033 -8.682 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.588 -10.096 -5.714 1.00 0.00 H new ATOM 0 HH12 ARG A 47 15.122 -10.416 -4.898 1.00 0.00 H new ATOM 0 HH21 ARG A 47 17.070 -9.442 -7.631 1.00 0.00 H new ATOM 0 HH22 ARG A 47 17.072 -10.049 -5.972 1.00 0.00 H new ATOM 770 N PRO A 48 8.227 -6.476 -5.892 1.00 0.00 N ATOM 771 CA PRO A 48 6.758 -6.575 -5.854 1.00 0.00 C ATOM 772 C PRO A 48 6.203 -6.828 -7.259 1.00 0.00 C ATOM 773 O PRO A 48 6.817 -6.487 -8.250 1.00 0.00 O ATOM 774 CB PRO A 48 6.318 -5.204 -5.331 1.00 0.00 C ATOM 775 CG PRO A 48 7.479 -4.228 -5.635 1.00 0.00 C ATOM 776 CD PRO A 48 8.742 -5.091 -5.821 1.00 0.00 C ATOM 0 HA PRO A 48 6.399 -7.397 -5.234 1.00 0.00 H new ATOM 0 HB2 PRO A 48 5.399 -4.879 -5.819 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.114 -5.244 -4.261 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.271 -3.647 -6.533 1.00 0.00 H new ATOM 0 HG3 PRO A 48 7.612 -3.518 -4.819 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.280 -4.819 -6.729 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.436 -4.966 -4.990 1.00 0.00 H new ATOM 784 N ASP A 49 5.046 -7.426 -7.351 1.00 0.00 N ATOM 785 CA ASP A 49 4.455 -7.701 -8.690 1.00 0.00 C ATOM 786 C ASP A 49 3.534 -6.546 -9.088 1.00 0.00 C ATOM 787 O ASP A 49 3.126 -6.429 -10.227 1.00 0.00 O ATOM 788 CB ASP A 49 3.648 -9.001 -8.636 1.00 0.00 C ATOM 789 CG ASP A 49 3.870 -9.794 -9.924 1.00 0.00 C ATOM 790 OD1 ASP A 49 4.473 -9.250 -10.835 1.00 0.00 O ATOM 791 OD2 ASP A 49 3.433 -10.932 -9.978 1.00 0.00 O ATOM 0 H ASP A 49 4.486 -7.735 -6.557 1.00 0.00 H new ATOM 0 HA ASP A 49 5.254 -7.800 -9.425 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.952 -9.595 -7.774 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.588 -8.779 -8.512 1.00 0.00 H new ATOM 796 N LEU A 50 3.204 -5.690 -8.160 1.00 0.00 N ATOM 797 CA LEU A 50 2.309 -4.545 -8.488 1.00 0.00 C ATOM 798 C LEU A 50 3.015 -3.232 -8.145 1.00 0.00 C ATOM 799 O LEU A 50 3.246 -2.922 -6.993 1.00 0.00 O ATOM 800 CB LEU A 50 1.018 -4.658 -7.674 1.00 0.00 C ATOM 801 CG LEU A 50 0.065 -5.637 -8.361 1.00 0.00 C ATOM 802 CD1 LEU A 50 -0.213 -5.161 -9.788 1.00 0.00 C ATOM 803 CD2 LEU A 50 0.705 -7.026 -8.404 1.00 0.00 C ATOM 0 H LEU A 50 3.515 -5.734 -7.190 1.00 0.00 H new ATOM 0 HA LEU A 50 2.071 -4.562 -9.552 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.242 -5.000 -6.664 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.547 -3.679 -7.582 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.871 -5.684 -7.804 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.892 -5.858 -10.278 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.668 -4.171 -9.759 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.723 -5.114 -10.345 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.026 -7.724 -8.894 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.641 -6.978 -8.961 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.905 -7.366 -7.388 1.00 0.00 H new ATOM 815 N VAL A 51 3.358 -2.455 -9.136 1.00 0.00 N ATOM 816 CA VAL A 51 4.048 -1.163 -8.866 1.00 0.00 C ATOM 817 C VAL A 51 3.136 -0.002 -9.269 1.00 0.00 C ATOM 818 O VAL A 51 2.584 0.019 -10.351 1.00 0.00 O ATOM 819 CB VAL A 51 5.345 -1.097 -9.674 1.00 0.00 C ATOM 820 CG1 VAL A 51 6.317 -0.125 -9.005 1.00 0.00 C ATOM 821 CG2 VAL A 51 5.977 -2.489 -9.734 1.00 0.00 C ATOM 0 H VAL A 51 3.190 -2.660 -10.121 1.00 0.00 H new ATOM 0 HA VAL A 51 4.279 -1.091 -7.803 1.00 0.00 H new ATOM 0 HB VAL A 51 5.126 -0.751 -10.684 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.241 -0.079 -9.582 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.867 0.867 -8.961 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.537 -0.469 -7.994 1.00 0.00 H new ATOM 0 HG21 VAL A 51 6.902 -2.444 -10.309 1.00 0.00 H new ATOM 0 HG22 VAL A 51 6.195 -2.833 -8.723 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.285 -3.182 -10.212 1.00 0.00 H new ATOM 831 N LEU A 52 2.972 0.963 -8.407 1.00 0.00 N ATOM 832 CA LEU A 52 2.097 2.121 -8.740 1.00 0.00 C ATOM 833 C LEU A 52 2.960 3.364 -8.967 1.00 0.00 C ATOM 834 O LEU A 52 3.652 3.821 -8.077 1.00 0.00 O ATOM 835 CB LEU A 52 1.127 2.376 -7.585 1.00 0.00 C ATOM 836 CG LEU A 52 0.352 1.094 -7.276 1.00 0.00 C ATOM 837 CD1 LEU A 52 0.790 0.548 -5.917 1.00 0.00 C ATOM 838 CD2 LEU A 52 -1.147 1.401 -7.243 1.00 0.00 C ATOM 0 H LEU A 52 3.407 0.999 -7.485 1.00 0.00 H new ATOM 0 HA LEU A 52 1.532 1.901 -9.646 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.675 2.704 -6.702 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.436 3.177 -7.847 1.00 0.00 H new ATOM 0 HG LEU A 52 0.555 0.352 -8.048 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.238 -0.366 -5.697 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.858 0.330 -5.939 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.587 1.290 -5.144 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.701 0.488 -7.023 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.349 2.143 -6.471 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.460 1.790 -8.212 1.00 0.00 H new ATOM 850 N LEU A 53 2.926 3.915 -10.149 1.00 0.00 N ATOM 851 CA LEU A 53 3.745 5.128 -10.430 1.00 0.00 C ATOM 852 C LEU A 53 2.845 6.365 -10.424 1.00 0.00 C ATOM 853 O LEU A 53 1.809 6.394 -11.059 1.00 0.00 O ATOM 854 CB LEU A 53 4.411 4.989 -11.802 1.00 0.00 C ATOM 855 CG LEU A 53 5.320 3.757 -11.812 1.00 0.00 C ATOM 856 CD1 LEU A 53 6.176 3.737 -10.543 1.00 0.00 C ATOM 857 CD2 LEU A 53 4.462 2.492 -11.868 1.00 0.00 C ATOM 0 H LEU A 53 2.367 3.578 -10.932 1.00 0.00 H new ATOM 0 HA LEU A 53 4.512 5.233 -9.663 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.651 4.899 -12.578 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.992 5.883 -12.027 1.00 0.00 H new ATOM 0 HG LEU A 53 5.971 3.796 -12.685 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.822 2.859 -10.553 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.789 4.638 -10.503 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.528 3.700 -9.667 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.108 1.614 -11.875 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.810 2.456 -10.995 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.856 2.504 -12.774 1.00 0.00 H new ATOM 869 N ASP A 54 3.234 7.388 -9.715 1.00 0.00 N ATOM 870 CA ASP A 54 2.403 8.625 -9.669 1.00 0.00 C ATOM 871 C ASP A 54 3.130 9.754 -10.401 1.00 0.00 C ATOM 872 O ASP A 54 3.997 10.406 -9.852 1.00 0.00 O ATOM 873 CB ASP A 54 2.170 9.028 -8.212 1.00 0.00 C ATOM 874 CG ASP A 54 0.955 9.954 -8.126 1.00 0.00 C ATOM 875 OD1 ASP A 54 0.037 9.768 -8.907 1.00 0.00 O ATOM 876 OD2 ASP A 54 0.963 10.833 -7.281 1.00 0.00 O ATOM 0 H ASP A 54 4.092 7.421 -9.165 1.00 0.00 H new ATOM 0 HA ASP A 54 1.444 8.438 -10.152 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.008 8.141 -7.600 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.053 9.531 -7.817 1.00 0.00 H new ATOM 881 N MET A 55 2.787 9.990 -11.637 1.00 0.00 N ATOM 882 CA MET A 55 3.461 11.077 -12.403 1.00 0.00 C ATOM 883 C MET A 55 3.137 12.427 -11.761 1.00 0.00 C ATOM 884 O MET A 55 3.727 13.439 -12.088 1.00 0.00 O ATOM 885 CB MET A 55 2.961 11.068 -13.849 1.00 0.00 C ATOM 886 CG MET A 55 3.115 9.664 -14.436 1.00 0.00 C ATOM 887 SD MET A 55 4.830 9.409 -14.953 1.00 0.00 S ATOM 888 CE MET A 55 4.573 7.849 -15.831 1.00 0.00 C ATOM 0 H MET A 55 2.070 9.478 -12.150 1.00 0.00 H new ATOM 0 HA MET A 55 4.539 10.916 -12.390 1.00 0.00 H new ATOM 0 HB2 MET A 55 1.916 11.376 -13.885 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.525 11.786 -14.444 1.00 0.00 H new ATOM 0 HG2 MET A 55 2.833 8.916 -13.695 1.00 0.00 H new ATOM 0 HG3 MET A 55 2.445 9.539 -15.287 1.00 0.00 H new ATOM 0 HE1 MET A 55 5.510 7.293 -15.867 1.00 0.00 H new ATOM 0 HE2 MET A 55 3.820 7.258 -15.309 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.233 8.055 -16.846 1.00 0.00 H new ATOM 898 N LYS A 56 2.205 12.454 -10.848 1.00 0.00 N ATOM 899 CA LYS A 56 1.845 13.739 -10.187 1.00 0.00 C ATOM 900 C LYS A 56 2.959 14.152 -9.223 1.00 0.00 C ATOM 901 O LYS A 56 2.906 15.200 -8.610 1.00 0.00 O ATOM 902 CB LYS A 56 0.539 13.562 -9.409 1.00 0.00 C ATOM 903 CG LYS A 56 -0.646 13.650 -10.373 1.00 0.00 C ATOM 904 CD LYS A 56 -1.949 13.738 -9.575 1.00 0.00 C ATOM 905 CE LYS A 56 -1.941 15.009 -8.725 1.00 0.00 C ATOM 906 NZ LYS A 56 -1.499 14.679 -7.340 1.00 0.00 N ATOM 0 H LYS A 56 1.677 11.641 -10.531 1.00 0.00 H new ATOM 0 HA LYS A 56 1.718 14.512 -10.945 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.535 12.599 -8.898 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.454 14.330 -8.641 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.541 14.524 -11.016 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.664 12.776 -11.024 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.803 13.746 -10.252 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.057 12.861 -8.936 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.272 15.749 -9.165 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.937 15.452 -8.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.308 14.751 -6.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.122 13.710 -7.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.757 15.345 -7.044 1.00 0.00 H new ATOM 920 N ILE A 57 3.970 13.338 -9.082 1.00 0.00 N ATOM 921 CA ILE A 57 5.084 13.689 -8.155 1.00 0.00 C ATOM 922 C ILE A 57 5.761 14.977 -8.640 1.00 0.00 C ATOM 923 O ILE A 57 6.070 15.106 -9.808 1.00 0.00 O ATOM 924 CB ILE A 57 6.107 12.551 -8.137 1.00 0.00 C ATOM 925 CG1 ILE A 57 5.525 11.355 -7.381 1.00 0.00 C ATOM 926 CG2 ILE A 57 7.384 13.022 -7.440 1.00 0.00 C ATOM 927 CD1 ILE A 57 6.520 10.194 -7.417 1.00 0.00 C ATOM 0 H ILE A 57 4.073 12.447 -9.568 1.00 0.00 H new ATOM 0 HA ILE A 57 4.690 13.840 -7.150 1.00 0.00 H new ATOM 0 HB ILE A 57 6.340 12.257 -9.160 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.312 11.633 -6.349 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.580 11.052 -7.831 1.00 0.00 H new ATOM 0 HG21 ILE A 57 8.112 12.211 -7.428 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.799 13.874 -7.978 1.00 0.00 H new ATOM 0 HG23 ILE A 57 7.152 13.317 -6.417 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.105 9.342 -6.878 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.711 9.911 -8.452 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.454 10.501 -6.946 1.00 0.00 H new ATOM 939 N PRO A 58 5.972 15.897 -7.729 1.00 0.00 N ATOM 940 CA PRO A 58 6.612 17.186 -8.040 1.00 0.00 C ATOM 941 C PRO A 58 8.131 17.017 -8.144 1.00 0.00 C ATOM 942 O PRO A 58 8.803 16.753 -7.167 1.00 0.00 O ATOM 943 CB PRO A 58 6.244 18.068 -6.845 1.00 0.00 C ATOM 944 CG PRO A 58 5.918 17.105 -5.677 1.00 0.00 C ATOM 945 CD PRO A 58 5.594 15.738 -6.310 1.00 0.00 C ATOM 0 HA PRO A 58 6.286 17.607 -8.991 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.068 18.731 -6.583 1.00 0.00 H new ATOM 0 HB3 PRO A 58 5.387 18.700 -7.078 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.763 17.025 -4.994 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.072 17.473 -5.096 1.00 0.00 H new ATOM 0 HD2 PRO A 58 6.158 14.935 -5.835 1.00 0.00 H new ATOM 0 HD3 PRO A 58 4.538 15.491 -6.205 1.00 0.00 H new ATOM 953 N GLY A 59 8.676 17.167 -9.320 1.00 0.00 N ATOM 954 CA GLY A 59 10.151 17.016 -9.481 1.00 0.00 C ATOM 955 C GLY A 59 10.458 16.407 -10.850 1.00 0.00 C ATOM 956 O GLY A 59 10.873 17.091 -11.765 1.00 0.00 O ATOM 0 H GLY A 59 8.165 17.387 -10.175 1.00 0.00 H new ATOM 0 HA2 GLY A 59 10.639 17.986 -9.386 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.550 16.380 -8.691 1.00 0.00 H new ATOM 960 N MET A 60 10.258 15.126 -11.000 1.00 0.00 N ATOM 961 CA MET A 60 10.542 14.476 -12.310 1.00 0.00 C ATOM 962 C MET A 60 9.340 13.626 -12.730 1.00 0.00 C ATOM 963 O MET A 60 8.424 13.408 -11.963 1.00 0.00 O ATOM 964 CB MET A 60 11.778 13.583 -12.182 1.00 0.00 C ATOM 965 CG MET A 60 11.597 12.625 -11.003 1.00 0.00 C ATOM 966 SD MET A 60 10.599 11.208 -11.524 1.00 0.00 S ATOM 967 CE MET A 60 9.625 11.045 -10.007 1.00 0.00 C ATOM 0 H MET A 60 9.910 14.502 -10.272 1.00 0.00 H new ATOM 0 HA MET A 60 10.726 15.243 -13.062 1.00 0.00 H new ATOM 0 HB2 MET A 60 11.929 13.019 -13.102 1.00 0.00 H new ATOM 0 HB3 MET A 60 12.668 14.195 -12.034 1.00 0.00 H new ATOM 0 HG2 MET A 60 12.569 12.286 -10.643 1.00 0.00 H new ATOM 0 HG3 MET A 60 11.112 13.140 -10.174 1.00 0.00 H new ATOM 0 HE1 MET A 60 8.916 10.224 -10.116 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.290 10.841 -9.168 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.082 11.972 -9.822 1.00 0.00 H new ATOM 977 N ASP A 61 9.339 13.145 -13.943 1.00 0.00 N ATOM 978 CA ASP A 61 8.197 12.310 -14.411 1.00 0.00 C ATOM 979 C ASP A 61 8.481 10.838 -14.104 1.00 0.00 C ATOM 980 O ASP A 61 9.589 10.365 -14.258 1.00 0.00 O ATOM 981 CB ASP A 61 8.021 12.489 -15.920 1.00 0.00 C ATOM 982 CG ASP A 61 7.267 13.792 -16.195 1.00 0.00 C ATOM 983 OD1 ASP A 61 7.246 14.638 -15.317 1.00 0.00 O ATOM 984 OD2 ASP A 61 6.724 13.922 -17.280 1.00 0.00 O ATOM 0 H ASP A 61 10.079 13.294 -14.629 1.00 0.00 H new ATOM 0 HA ASP A 61 7.287 12.620 -13.898 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.994 12.509 -16.410 1.00 0.00 H new ATOM 0 HB3 ASP A 61 7.472 11.644 -16.336 1.00 0.00 H new ATOM 989 N GLY A 62 7.489 10.111 -13.669 1.00 0.00 N ATOM 990 CA GLY A 62 7.703 8.670 -13.352 1.00 0.00 C ATOM 991 C GLY A 62 7.857 7.879 -14.652 1.00 0.00 C ATOM 992 O GLY A 62 8.218 6.719 -14.645 1.00 0.00 O ATOM 0 H GLY A 62 6.539 10.452 -13.519 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.593 8.551 -12.734 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.861 8.284 -12.777 1.00 0.00 H new ATOM 996 N ILE A 63 7.584 8.496 -15.770 1.00 0.00 N ATOM 997 CA ILE A 63 7.716 7.779 -17.069 1.00 0.00 C ATOM 998 C ILE A 63 9.020 6.979 -17.083 1.00 0.00 C ATOM 999 O ILE A 63 9.045 5.819 -17.440 1.00 0.00 O ATOM 1000 CB ILE A 63 7.727 8.794 -18.213 1.00 0.00 C ATOM 1001 CG1 ILE A 63 6.326 9.387 -18.382 1.00 0.00 C ATOM 1002 CG2 ILE A 63 8.145 8.098 -19.509 1.00 0.00 C ATOM 1003 CD1 ILE A 63 5.384 8.320 -18.943 1.00 0.00 C ATOM 0 H ILE A 63 7.275 9.466 -15.839 1.00 0.00 H new ATOM 0 HA ILE A 63 6.873 7.099 -17.195 1.00 0.00 H new ATOM 0 HB ILE A 63 8.434 9.591 -17.984 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.954 9.748 -17.423 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.361 10.245 -19.053 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.153 8.821 -20.324 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.142 7.675 -19.390 1.00 0.00 H new ATOM 0 HG23 ILE A 63 7.438 7.301 -19.738 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.386 8.742 -19.063 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.754 7.981 -19.911 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.340 7.476 -18.255 1.00 0.00 H new ATOM 1015 N GLU A 64 10.105 7.591 -16.695 1.00 0.00 N ATOM 1016 CA GLU A 64 11.406 6.866 -16.685 1.00 0.00 C ATOM 1017 C GLU A 64 11.338 5.707 -15.689 1.00 0.00 C ATOM 1018 O GLU A 64 11.847 4.631 -15.936 1.00 0.00 O ATOM 1019 CB GLU A 64 12.523 7.827 -16.275 1.00 0.00 C ATOM 1020 CG GLU A 64 12.387 9.134 -17.058 1.00 0.00 C ATOM 1021 CD GLU A 64 13.776 9.709 -17.342 1.00 0.00 C ATOM 1022 OE1 GLU A 64 14.368 10.255 -16.425 1.00 0.00 O ATOM 1023 OE2 GLU A 64 14.224 9.592 -18.470 1.00 0.00 O ATOM 0 H GLU A 64 10.146 8.562 -16.385 1.00 0.00 H new ATOM 0 HA GLU A 64 11.611 6.476 -17.682 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.471 8.025 -15.204 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.495 7.374 -16.469 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.858 8.956 -17.994 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.795 9.851 -16.489 1.00 0.00 H new ATOM 1030 N ILE A 65 10.713 5.918 -14.563 1.00 0.00 N ATOM 1031 CA ILE A 65 10.613 4.828 -13.550 1.00 0.00 C ATOM 1032 C ILE A 65 10.078 3.559 -14.219 1.00 0.00 C ATOM 1033 O ILE A 65 10.760 2.555 -14.301 1.00 0.00 O ATOM 1034 CB ILE A 65 9.660 5.256 -12.434 1.00 0.00 C ATOM 1035 CG1 ILE A 65 10.156 6.566 -11.816 1.00 0.00 C ATOM 1036 CG2 ILE A 65 9.616 4.171 -11.356 1.00 0.00 C ATOM 1037 CD1 ILE A 65 9.166 7.034 -10.748 1.00 0.00 C ATOM 0 H ILE A 65 10.267 6.797 -14.300 1.00 0.00 H new ATOM 0 HA ILE A 65 11.599 4.630 -13.130 1.00 0.00 H new ATOM 0 HB ILE A 65 8.661 5.401 -12.845 1.00 0.00 H new ATOM 0 HG12 ILE A 65 11.142 6.422 -11.375 1.00 0.00 H new ATOM 0 HG13 ILE A 65 10.261 7.328 -12.588 1.00 0.00 H new ATOM 0 HG21 ILE A 65 8.937 4.476 -10.560 1.00 0.00 H new ATOM 0 HG22 ILE A 65 9.265 3.237 -11.794 1.00 0.00 H new ATOM 0 HG23 ILE A 65 10.615 4.026 -10.945 1.00 0.00 H new ATOM 0 HD11 ILE A 65 9.519 7.967 -10.308 1.00 0.00 H new ATOM 0 HD12 ILE A 65 8.189 7.195 -11.203 1.00 0.00 H new ATOM 0 HD13 ILE A 65 9.084 6.275 -9.971 1.00 0.00 H new ATOM 1049 N LEU A 66 8.865 3.594 -14.697 1.00 0.00 N ATOM 1050 CA LEU A 66 8.289 2.390 -15.359 1.00 0.00 C ATOM 1051 C LEU A 66 9.332 1.778 -16.297 1.00 0.00 C ATOM 1052 O LEU A 66 9.585 0.590 -16.270 1.00 0.00 O ATOM 1053 CB LEU A 66 7.053 2.793 -16.165 1.00 0.00 C ATOM 1054 CG LEU A 66 5.793 2.505 -15.346 1.00 0.00 C ATOM 1055 CD1 LEU A 66 4.560 2.954 -16.131 1.00 0.00 C ATOM 1056 CD2 LEU A 66 5.700 1.003 -15.069 1.00 0.00 C ATOM 0 H LEU A 66 8.247 4.405 -14.658 1.00 0.00 H new ATOM 0 HA LEU A 66 8.006 1.659 -14.602 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.101 3.852 -16.419 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.023 2.241 -17.105 1.00 0.00 H new ATOM 0 HG LEU A 66 5.841 3.049 -14.402 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.663 2.749 -15.547 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.626 4.023 -16.331 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.511 2.410 -17.074 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.803 0.795 -14.486 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.652 0.461 -16.014 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.579 0.681 -14.510 1.00 0.00 H new ATOM 1068 N LYS A 67 9.942 2.580 -17.126 1.00 0.00 N ATOM 1069 CA LYS A 67 10.968 2.044 -18.064 1.00 0.00 C ATOM 1070 C LYS A 67 11.959 1.173 -17.288 1.00 0.00 C ATOM 1071 O LYS A 67 12.274 0.069 -17.686 1.00 0.00 O ATOM 1072 CB LYS A 67 11.716 3.206 -18.721 1.00 0.00 C ATOM 1073 CG LYS A 67 11.266 3.345 -20.176 1.00 0.00 C ATOM 1074 CD LYS A 67 12.324 4.118 -20.966 1.00 0.00 C ATOM 1075 CE LYS A 67 13.038 3.167 -21.930 1.00 0.00 C ATOM 1076 NZ LYS A 67 14.506 3.411 -21.871 1.00 0.00 N ATOM 0 H LYS A 67 9.774 3.584 -17.194 1.00 0.00 H new ATOM 0 HA LYS A 67 10.481 1.445 -18.834 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.520 4.131 -18.179 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.791 3.032 -18.677 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.116 2.360 -20.617 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.309 3.865 -20.224 1.00 0.00 H new ATOM 0 HD2 LYS A 67 11.857 4.932 -21.521 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.044 4.570 -20.284 1.00 0.00 H new ATOM 0 HE2 LYS A 67 12.820 2.132 -21.666 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.673 3.320 -22.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.992 2.765 -22.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 14.706 4.395 -22.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.847 3.244 -20.903 1.00 0.00 H new ATOM 1090 N ARG A 68 12.452 1.661 -16.182 1.00 0.00 N ATOM 1091 CA ARG A 68 13.421 0.859 -15.383 1.00 0.00 C ATOM 1092 C ARG A 68 12.786 -0.481 -15.010 1.00 0.00 C ATOM 1093 O ARG A 68 13.406 -1.521 -15.105 1.00 0.00 O ATOM 1094 CB ARG A 68 13.786 1.623 -14.108 1.00 0.00 C ATOM 1095 CG ARG A 68 14.126 3.073 -14.458 1.00 0.00 C ATOM 1096 CD ARG A 68 15.097 3.100 -15.640 1.00 0.00 C ATOM 1097 NE ARG A 68 16.005 4.276 -15.511 1.00 0.00 N ATOM 1098 CZ ARG A 68 16.782 4.615 -16.503 1.00 0.00 C ATOM 1099 NH1 ARG A 68 16.768 3.930 -17.615 1.00 0.00 N ATOM 1100 NH2 ARG A 68 17.576 5.645 -16.384 1.00 0.00 N ATOM 0 H ARG A 68 12.226 2.579 -15.798 1.00 0.00 H new ATOM 0 HA ARG A 68 14.321 0.684 -15.972 1.00 0.00 H new ATOM 0 HB2 ARG A 68 12.955 1.594 -13.404 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.636 1.148 -13.618 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.217 3.620 -14.708 1.00 0.00 H new ATOM 0 HG3 ARG A 68 14.571 3.571 -13.597 1.00 0.00 H new ATOM 0 HD2 ARG A 68 15.679 2.179 -15.667 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.544 3.155 -16.578 1.00 0.00 H new ATOM 0 HE ARG A 68 16.019 4.816 -14.646 1.00 0.00 H new ATOM 0 HH11 ARG A 68 16.148 3.126 -17.711 1.00 0.00 H new ATOM 0 HH12 ARG A 68 17.377 4.199 -18.387 1.00 0.00 H new ATOM 0 HH21 ARG A 68 17.588 6.182 -15.517 1.00 0.00 H new ATOM 0 HH22 ARG A 68 18.184 5.912 -17.158 1.00 0.00 H new ATOM 1114 N MET A 69 11.551 -0.465 -14.587 1.00 0.00 N ATOM 1115 CA MET A 69 10.876 -1.739 -14.210 1.00 0.00 C ATOM 1116 C MET A 69 10.840 -2.674 -15.422 1.00 0.00 C ATOM 1117 O MET A 69 10.808 -3.880 -15.287 1.00 0.00 O ATOM 1118 CB MET A 69 9.447 -1.443 -13.751 1.00 0.00 C ATOM 1119 CG MET A 69 9.443 -0.193 -12.869 1.00 0.00 C ATOM 1120 SD MET A 69 8.062 -0.283 -11.703 1.00 0.00 S ATOM 1121 CE MET A 69 8.725 0.870 -10.476 1.00 0.00 C ATOM 0 H MET A 69 10.981 0.375 -14.486 1.00 0.00 H new ATOM 0 HA MET A 69 11.426 -2.216 -13.399 1.00 0.00 H new ATOM 0 HB2 MET A 69 8.800 -1.293 -14.615 1.00 0.00 H new ATOM 0 HB3 MET A 69 9.048 -2.293 -13.197 1.00 0.00 H new ATOM 0 HG2 MET A 69 10.386 -0.114 -12.328 1.00 0.00 H new ATOM 0 HG3 MET A 69 9.354 0.701 -13.487 1.00 0.00 H new ATOM 0 HE1 MET A 69 8.921 0.338 -9.545 1.00 0.00 H new ATOM 0 HE2 MET A 69 9.653 1.304 -10.849 1.00 0.00 H new ATOM 0 HE3 MET A 69 8.001 1.664 -10.294 1.00 0.00 H new ATOM 1131 N LYS A 70 10.844 -2.125 -16.607 1.00 0.00 N ATOM 1132 CA LYS A 70 10.811 -2.982 -17.825 1.00 0.00 C ATOM 1133 C LYS A 70 12.206 -3.555 -18.080 1.00 0.00 C ATOM 1134 O LYS A 70 12.356 -4.647 -18.592 1.00 0.00 O ATOM 1135 CB LYS A 70 10.380 -2.143 -19.030 1.00 0.00 C ATOM 1136 CG LYS A 70 9.176 -1.278 -18.650 1.00 0.00 C ATOM 1137 CD LYS A 70 7.887 -2.068 -18.881 1.00 0.00 C ATOM 1138 CE LYS A 70 7.085 -2.131 -17.580 1.00 0.00 C ATOM 1139 NZ LYS A 70 6.447 -3.471 -17.454 1.00 0.00 N ATOM 0 H LYS A 70 10.869 -1.121 -16.783 1.00 0.00 H new ATOM 0 HA LYS A 70 10.102 -3.796 -17.677 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.205 -1.511 -19.359 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.123 -2.794 -19.866 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.247 -0.975 -17.605 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.168 -0.366 -19.246 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.294 -1.595 -19.663 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.122 -3.075 -19.224 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.739 -1.946 -16.728 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.323 -1.352 -17.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.289 -3.687 -16.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.536 -3.470 -17.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.070 -4.193 -17.869 1.00 0.00 H new ATOM 1153 N VAL A 71 13.229 -2.826 -17.728 1.00 0.00 N ATOM 1154 CA VAL A 71 14.613 -3.326 -17.951 1.00 0.00 C ATOM 1155 C VAL A 71 14.966 -4.352 -16.872 1.00 0.00 C ATOM 1156 O VAL A 71 15.811 -5.204 -17.064 1.00 0.00 O ATOM 1157 CB VAL A 71 15.595 -2.154 -17.881 1.00 0.00 C ATOM 1158 CG1 VAL A 71 16.900 -2.537 -18.581 1.00 0.00 C ATOM 1159 CG2 VAL A 71 14.982 -0.936 -18.578 1.00 0.00 C ATOM 0 H VAL A 71 13.165 -1.905 -17.295 1.00 0.00 H new ATOM 0 HA VAL A 71 14.676 -3.796 -18.933 1.00 0.00 H new ATOM 0 HB VAL A 71 15.800 -1.914 -16.838 1.00 0.00 H new ATOM 0 HG11 VAL A 71 17.599 -1.702 -18.531 1.00 0.00 H new ATOM 0 HG12 VAL A 71 17.336 -3.405 -18.087 1.00 0.00 H new ATOM 0 HG13 VAL A 71 16.696 -2.777 -19.625 1.00 0.00 H new ATOM 0 HG21 VAL A 71 15.679 -0.100 -18.530 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.778 -1.178 -19.621 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.052 -0.662 -18.080 1.00 0.00 H new ATOM 1169 N ILE A 72 14.324 -4.279 -15.738 1.00 0.00 N ATOM 1170 CA ILE A 72 14.623 -5.252 -14.649 1.00 0.00 C ATOM 1171 C ILE A 72 13.758 -6.500 -14.831 1.00 0.00 C ATOM 1172 O ILE A 72 14.257 -7.597 -14.982 1.00 0.00 O ATOM 1173 CB ILE A 72 14.315 -4.611 -13.294 1.00 0.00 C ATOM 1174 CG1 ILE A 72 15.117 -3.315 -13.151 1.00 0.00 C ATOM 1175 CG2 ILE A 72 14.703 -5.576 -12.173 1.00 0.00 C ATOM 1176 CD1 ILE A 72 14.851 -2.700 -11.775 1.00 0.00 C ATOM 0 H ILE A 72 13.606 -3.588 -15.519 1.00 0.00 H new ATOM 0 HA ILE A 72 15.676 -5.530 -14.688 1.00 0.00 H new ATOM 0 HB ILE A 72 13.250 -4.390 -13.230 1.00 0.00 H new ATOM 0 HG12 ILE A 72 16.181 -3.518 -13.271 1.00 0.00 H new ATOM 0 HG13 ILE A 72 14.836 -2.612 -13.936 1.00 0.00 H new ATOM 0 HG21 ILE A 72 14.484 -5.120 -11.208 1.00 0.00 H new ATOM 0 HG22 ILE A 72 14.134 -6.500 -12.275 1.00 0.00 H new ATOM 0 HG23 ILE A 72 15.768 -5.797 -12.236 1.00 0.00 H new ATOM 0 HD11 ILE A 72 15.422 -1.777 -11.672 1.00 0.00 H new ATOM 0 HD12 ILE A 72 13.788 -2.482 -11.673 1.00 0.00 H new ATOM 0 HD13 ILE A 72 15.154 -3.402 -10.998 1.00 0.00 H new ATOM 1188 N ASP A 73 12.462 -6.343 -14.816 1.00 0.00 N ATOM 1189 CA ASP A 73 11.565 -7.520 -14.988 1.00 0.00 C ATOM 1190 C ASP A 73 10.516 -7.210 -16.057 1.00 0.00 C ATOM 1191 O ASP A 73 9.906 -6.159 -16.055 1.00 0.00 O ATOM 1192 CB ASP A 73 10.868 -7.828 -13.662 1.00 0.00 C ATOM 1193 CG ASP A 73 11.836 -8.564 -12.733 1.00 0.00 C ATOM 1194 OD1 ASP A 73 12.550 -9.426 -13.217 1.00 0.00 O ATOM 1195 OD2 ASP A 73 11.848 -8.250 -11.554 1.00 0.00 O ATOM 0 H ASP A 73 11.986 -5.449 -14.692 1.00 0.00 H new ATOM 0 HA ASP A 73 12.154 -8.384 -15.297 1.00 0.00 H new ATOM 0 HB2 ASP A 73 10.530 -6.904 -13.194 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.982 -8.438 -13.838 1.00 0.00 H new ATOM 1200 N GLU A 74 10.298 -8.117 -16.970 1.00 0.00 N ATOM 1201 CA GLU A 74 9.291 -7.877 -18.035 1.00 0.00 C ATOM 1202 C GLU A 74 7.928 -8.394 -17.560 1.00 0.00 C ATOM 1203 O GLU A 74 6.892 -7.927 -17.991 1.00 0.00 O ATOM 1204 CB GLU A 74 9.730 -8.617 -19.307 1.00 0.00 C ATOM 1205 CG GLU A 74 8.524 -8.878 -20.209 1.00 0.00 C ATOM 1206 CD GLU A 74 7.938 -7.547 -20.683 1.00 0.00 C ATOM 1207 OE1 GLU A 74 8.714 -6.675 -21.041 1.00 0.00 O ATOM 1208 OE2 GLU A 74 6.724 -7.421 -20.679 1.00 0.00 O ATOM 0 H GLU A 74 10.777 -9.016 -17.022 1.00 0.00 H new ATOM 0 HA GLU A 74 9.210 -6.812 -18.251 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.473 -8.026 -19.843 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.206 -9.561 -19.041 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.823 -9.481 -21.067 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.768 -9.447 -19.667 1.00 0.00 H new ATOM 1215 N ASN A 75 7.922 -9.352 -16.674 1.00 0.00 N ATOM 1216 CA ASN A 75 6.629 -9.894 -16.172 1.00 0.00 C ATOM 1217 C ASN A 75 6.268 -9.211 -14.852 1.00 0.00 C ATOM 1218 O ASN A 75 5.897 -9.853 -13.889 1.00 0.00 O ATOM 1219 CB ASN A 75 6.762 -11.402 -15.946 1.00 0.00 C ATOM 1220 CG ASN A 75 7.653 -11.659 -14.729 1.00 0.00 C ATOM 1221 OD1 ASN A 75 8.302 -10.758 -14.236 1.00 0.00 O ATOM 1222 ND2 ASN A 75 7.712 -12.860 -14.220 1.00 0.00 N ATOM 0 H ASN A 75 8.757 -9.782 -16.276 1.00 0.00 H new ATOM 0 HA ASN A 75 5.846 -9.704 -16.906 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.778 -11.845 -15.790 1.00 0.00 H new ATOM 0 HB3 ASN A 75 7.189 -11.877 -16.829 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.303 -13.042 -13.409 1.00 0.00 H new ATOM 0 HD22 ASN A 75 7.167 -13.617 -14.634 1.00 0.00 H new ATOM 1229 N ILE A 76 6.373 -7.912 -14.799 1.00 0.00 N ATOM 1230 CA ILE A 76 6.038 -7.187 -13.541 1.00 0.00 C ATOM 1231 C ILE A 76 4.859 -6.244 -13.795 1.00 0.00 C ATOM 1232 O ILE A 76 4.970 -5.278 -14.524 1.00 0.00 O ATOM 1233 CB ILE A 76 7.250 -6.375 -13.082 1.00 0.00 C ATOM 1234 CG1 ILE A 76 6.828 -5.415 -11.967 1.00 0.00 C ATOM 1235 CG2 ILE A 76 7.806 -5.573 -14.260 1.00 0.00 C ATOM 1236 CD1 ILE A 76 6.330 -6.217 -10.763 1.00 0.00 C ATOM 0 H ILE A 76 6.676 -7.321 -15.573 1.00 0.00 H new ATOM 0 HA ILE A 76 5.769 -7.906 -12.768 1.00 0.00 H new ATOM 0 HB ILE A 76 8.019 -7.052 -12.709 1.00 0.00 H new ATOM 0 HG12 ILE A 76 7.670 -4.787 -11.676 1.00 0.00 H new ATOM 0 HG13 ILE A 76 6.042 -4.749 -12.324 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.670 -4.995 -13.931 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.107 -6.255 -15.055 1.00 0.00 H new ATOM 0 HG23 ILE A 76 7.038 -4.896 -14.634 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.030 -5.533 -9.969 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.476 -6.826 -11.060 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.129 -6.864 -10.401 1.00 0.00 H new ATOM 1248 N ARG A 77 3.730 -6.517 -13.199 1.00 0.00 N ATOM 1249 CA ARG A 77 2.547 -5.636 -13.407 1.00 0.00 C ATOM 1250 C ARG A 77 2.849 -4.238 -12.863 1.00 0.00 C ATOM 1251 O ARG A 77 3.384 -4.084 -11.782 1.00 0.00 O ATOM 1252 CB ARG A 77 1.339 -6.220 -12.673 1.00 0.00 C ATOM 1253 CG ARG A 77 0.727 -7.346 -13.511 1.00 0.00 C ATOM 1254 CD ARG A 77 1.613 -8.589 -13.423 1.00 0.00 C ATOM 1255 NE ARG A 77 1.048 -9.664 -14.287 1.00 0.00 N ATOM 1256 CZ ARG A 77 1.512 -10.883 -14.208 1.00 0.00 C ATOM 1257 NH1 ARG A 77 2.474 -11.165 -13.370 1.00 0.00 N ATOM 1258 NH2 ARG A 77 1.013 -11.819 -14.966 1.00 0.00 N ATOM 0 H ARG A 77 3.576 -7.311 -12.578 1.00 0.00 H new ATOM 0 HA ARG A 77 2.327 -5.571 -14.472 1.00 0.00 H new ATOM 0 HB2 ARG A 77 1.642 -6.602 -11.698 1.00 0.00 H new ATOM 0 HB3 ARG A 77 0.598 -5.441 -12.494 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.276 -7.576 -13.153 1.00 0.00 H new ATOM 0 HG3 ARG A 77 0.630 -7.029 -14.549 1.00 0.00 H new ATOM 0 HD2 ARG A 77 2.628 -8.349 -13.740 1.00 0.00 H new ATOM 0 HD3 ARG A 77 1.675 -8.932 -12.390 1.00 0.00 H new ATOM 0 HE ARG A 77 0.297 -9.447 -14.942 1.00 0.00 H new ATOM 0 HH11 ARG A 77 2.864 -10.433 -12.776 1.00 0.00 H new ATOM 0 HH12 ARG A 77 2.835 -12.117 -13.310 1.00 0.00 H new ATOM 0 HH21 ARG A 77 0.261 -11.599 -15.620 1.00 0.00 H new ATOM 0 HH22 ARG A 77 1.374 -12.771 -14.905 1.00 0.00 H new ATOM 1272 N VAL A 78 2.515 -3.218 -13.604 1.00 0.00 N ATOM 1273 CA VAL A 78 2.785 -1.830 -13.129 1.00 0.00 C ATOM 1274 C VAL A 78 1.590 -0.934 -13.457 1.00 0.00 C ATOM 1275 O VAL A 78 1.342 -0.606 -14.600 1.00 0.00 O ATOM 1276 CB VAL A 78 4.039 -1.276 -13.819 1.00 0.00 C ATOM 1277 CG1 VAL A 78 5.251 -1.470 -12.906 1.00 0.00 C ATOM 1278 CG2 VAL A 78 4.278 -2.013 -15.141 1.00 0.00 C ATOM 0 H VAL A 78 2.067 -3.285 -14.518 1.00 0.00 H new ATOM 0 HA VAL A 78 2.945 -1.848 -12.051 1.00 0.00 H new ATOM 0 HB VAL A 78 3.895 -0.214 -14.020 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.142 -1.077 -13.396 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.088 -0.940 -11.968 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.387 -2.532 -12.703 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.170 -1.614 -15.624 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.417 -3.076 -14.945 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.418 -1.874 -15.796 1.00 0.00 H new ATOM 1288 N ILE A 79 0.846 -0.534 -12.462 1.00 0.00 N ATOM 1289 CA ILE A 79 -0.331 0.344 -12.717 1.00 0.00 C ATOM 1290 C ILE A 79 0.064 1.803 -12.482 1.00 0.00 C ATOM 1291 O ILE A 79 0.864 2.109 -11.621 1.00 0.00 O ATOM 1292 CB ILE A 79 -1.465 -0.040 -11.766 1.00 0.00 C ATOM 1293 CG1 ILE A 79 -2.055 -1.385 -12.194 1.00 0.00 C ATOM 1294 CG2 ILE A 79 -2.555 1.031 -11.812 1.00 0.00 C ATOM 1295 CD1 ILE A 79 -3.066 -1.856 -11.148 1.00 0.00 C ATOM 0 H ILE A 79 1.002 -0.777 -11.484 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.664 0.220 -13.747 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.076 -0.119 -10.751 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.540 -1.289 -13.166 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.261 -2.123 -12.306 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.363 0.757 -11.134 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.136 1.990 -11.508 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.944 1.111 -12.827 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.486 -2.814 -11.454 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.568 -1.969 -10.185 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -3.866 -1.121 -11.059 1.00 0.00 H new ATOM 1307 N ILE A 80 -0.492 2.709 -13.241 1.00 0.00 N ATOM 1308 CA ILE A 80 -0.145 4.148 -13.059 1.00 0.00 C ATOM 1309 C ILE A 80 -1.279 4.853 -12.313 1.00 0.00 C ATOM 1310 O ILE A 80 -2.353 4.311 -12.140 1.00 0.00 O ATOM 1311 CB ILE A 80 0.056 4.817 -14.424 1.00 0.00 C ATOM 1312 CG1 ILE A 80 0.418 3.761 -15.474 1.00 0.00 C ATOM 1313 CG2 ILE A 80 1.188 5.842 -14.322 1.00 0.00 C ATOM 1314 CD1 ILE A 80 0.934 4.446 -16.741 1.00 0.00 C ATOM 0 H ILE A 80 -1.170 2.515 -13.978 1.00 0.00 H new ATOM 0 HA ILE A 80 0.778 4.222 -12.484 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.867 5.315 -14.721 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.178 3.087 -15.079 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.456 3.153 -15.708 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.334 6.320 -15.291 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.929 6.597 -13.580 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.108 5.340 -14.023 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.190 3.691 -17.484 1.00 0.00 H new ATOM 0 HD12 ILE A 80 0.160 5.101 -17.141 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.820 5.034 -16.502 1.00 0.00 H new ATOM 1326 N MET A 81 -1.049 6.058 -11.869 1.00 0.00 N ATOM 1327 CA MET A 81 -2.114 6.798 -11.134 1.00 0.00 C ATOM 1328 C MET A 81 -2.062 8.279 -11.517 1.00 0.00 C ATOM 1329 O MET A 81 -1.699 9.123 -10.722 1.00 0.00 O ATOM 1330 CB MET A 81 -1.900 6.654 -9.623 1.00 0.00 C ATOM 1331 CG MET A 81 -0.417 6.419 -9.327 1.00 0.00 C ATOM 1332 SD MET A 81 -0.096 6.725 -7.573 1.00 0.00 S ATOM 1333 CE MET A 81 1.215 5.495 -7.364 1.00 0.00 C ATOM 0 H MET A 81 -0.170 6.562 -11.983 1.00 0.00 H new ATOM 0 HA MET A 81 -3.087 6.385 -11.400 1.00 0.00 H new ATOM 0 HB2 MET A 81 -2.244 7.553 -9.111 1.00 0.00 H new ATOM 0 HB3 MET A 81 -2.492 5.823 -9.241 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.141 5.397 -9.585 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.196 7.079 -9.940 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.007 4.888 -6.483 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.257 4.854 -8.245 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.172 6.001 -7.238 1.00 0.00 H new ATOM 1343 N THR A 82 -2.422 8.599 -12.730 1.00 0.00 N ATOM 1344 CA THR A 82 -2.392 10.025 -13.164 1.00 0.00 C ATOM 1345 C THR A 82 -2.829 10.121 -14.627 1.00 0.00 C ATOM 1346 O THR A 82 -2.125 10.656 -15.461 1.00 0.00 O ATOM 1347 CB THR A 82 -0.971 10.573 -13.018 1.00 0.00 C ATOM 1348 OG1 THR A 82 -0.960 11.953 -13.359 1.00 0.00 O ATOM 1349 CG2 THR A 82 -0.030 9.809 -13.949 1.00 0.00 C ATOM 0 H THR A 82 -2.735 7.936 -13.439 1.00 0.00 H new ATOM 0 HA THR A 82 -3.071 10.609 -12.543 1.00 0.00 H new ATOM 0 HB THR A 82 -0.638 10.450 -11.987 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.306 12.068 -14.269 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.982 10.200 -13.844 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.039 8.751 -13.687 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.361 9.930 -14.980 1.00 0.00 H new ATOM 1357 N ALA A 83 -3.984 9.606 -14.946 1.00 0.00 N ATOM 1358 CA ALA A 83 -4.465 9.668 -16.355 1.00 0.00 C ATOM 1359 C ALA A 83 -4.597 11.130 -16.786 1.00 0.00 C ATOM 1360 O ALA A 83 -4.216 11.502 -17.878 1.00 0.00 O ATOM 1361 CB ALA A 83 -5.828 8.980 -16.461 1.00 0.00 C ATOM 0 H ALA A 83 -4.616 9.145 -14.292 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.751 9.161 -17.004 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.179 9.026 -17.492 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.734 7.938 -16.155 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.542 9.486 -15.811 1.00 0.00 H new ATOM 1458 N ILE A 90 -0.594 7.837 -21.658 1.00 0.00 N ATOM 1459 CA ILE A 90 -1.366 6.753 -20.985 1.00 0.00 C ATOM 1460 C ILE A 90 -1.515 5.570 -21.947 1.00 0.00 C ATOM 1461 O ILE A 90 -0.978 4.504 -21.723 1.00 0.00 O ATOM 1462 CB ILE A 90 -2.753 7.279 -20.592 1.00 0.00 C ATOM 1463 CG1 ILE A 90 -2.634 8.170 -19.351 1.00 0.00 C ATOM 1464 CG2 ILE A 90 -3.680 6.103 -20.275 1.00 0.00 C ATOM 1465 CD1 ILE A 90 -1.475 9.152 -19.526 1.00 0.00 C ATOM 0 HA ILE A 90 -0.839 6.429 -20.088 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.163 7.856 -21.421 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -3.564 8.716 -19.194 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -2.471 7.556 -18.465 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.664 6.480 -19.996 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -3.772 5.465 -21.154 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -3.265 5.525 -19.449 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.396 9.783 -18.641 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.546 8.598 -19.662 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.656 9.776 -20.401 1.00 0.00 H new ATOM 1477 N GLN A 91 -2.241 5.750 -23.016 1.00 0.00 N ATOM 1478 CA GLN A 91 -2.422 4.637 -23.989 1.00 0.00 C ATOM 1479 C GLN A 91 -1.055 4.066 -24.368 1.00 0.00 C ATOM 1480 O GLN A 91 -0.930 2.908 -24.714 1.00 0.00 O ATOM 1481 CB GLN A 91 -3.120 5.165 -25.245 1.00 0.00 C ATOM 1482 CG GLN A 91 -4.153 4.142 -25.723 1.00 0.00 C ATOM 1483 CD GLN A 91 -4.290 4.228 -27.245 1.00 0.00 C ATOM 1484 OE1 GLN A 91 -4.394 3.219 -27.914 1.00 0.00 O ATOM 1485 NE2 GLN A 91 -4.295 5.398 -27.822 1.00 0.00 N ATOM 0 H GLN A 91 -2.716 6.620 -23.257 1.00 0.00 H new ATOM 0 HA GLN A 91 -3.031 3.854 -23.537 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -3.607 6.116 -25.031 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -2.387 5.352 -26.030 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -3.848 3.137 -25.431 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -5.116 4.333 -25.249 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -4.208 6.244 -27.260 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -4.386 5.466 -28.836 1.00 0.00 H new ATOM 1494 N GLU A 92 -0.029 4.869 -24.305 1.00 0.00 N ATOM 1495 CA GLU A 92 1.329 4.372 -24.660 1.00 0.00 C ATOM 1496 C GLU A 92 2.011 3.813 -23.408 1.00 0.00 C ATOM 1497 O GLU A 92 2.840 2.928 -23.484 1.00 0.00 O ATOM 1498 CB GLU A 92 2.164 5.523 -25.225 1.00 0.00 C ATOM 1499 CG GLU A 92 1.302 6.362 -26.170 1.00 0.00 C ATOM 1500 CD GLU A 92 2.184 6.969 -27.264 1.00 0.00 C ATOM 1501 OE1 GLU A 92 3.251 7.459 -26.932 1.00 0.00 O ATOM 1502 OE2 GLU A 92 1.777 6.932 -28.412 1.00 0.00 O ATOM 0 H GLU A 92 -0.073 5.848 -24.023 1.00 0.00 H new ATOM 0 HA GLU A 92 1.243 3.585 -25.409 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.543 6.144 -24.413 1.00 0.00 H new ATOM 0 HB3 GLU A 92 3.030 5.131 -25.758 1.00 0.00 H new ATOM 0 HG2 GLU A 92 0.525 5.742 -26.617 1.00 0.00 H new ATOM 0 HG3 GLU A 92 0.798 7.153 -25.614 1.00 0.00 H new ATOM 1509 N SER A 93 1.668 4.324 -22.257 1.00 0.00 N ATOM 1510 CA SER A 93 2.296 3.822 -21.003 1.00 0.00 C ATOM 1511 C SER A 93 1.902 2.360 -20.786 1.00 0.00 C ATOM 1512 O SER A 93 2.704 1.545 -20.375 1.00 0.00 O ATOM 1513 CB SER A 93 1.812 4.660 -19.819 1.00 0.00 C ATOM 1514 OG SER A 93 2.699 5.754 -19.625 1.00 0.00 O ATOM 0 H SER A 93 0.980 5.067 -22.131 1.00 0.00 H new ATOM 0 HA SER A 93 3.380 3.899 -21.084 1.00 0.00 H new ATOM 0 HB2 SER A 93 0.802 5.024 -20.005 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.769 4.048 -18.918 1.00 0.00 H new ATOM 0 HG SER A 93 2.391 6.295 -18.868 1.00 0.00 H new ATOM 1520 N LYS A 94 0.671 2.020 -21.058 1.00 0.00 N ATOM 1521 CA LYS A 94 0.227 0.611 -20.868 1.00 0.00 C ATOM 1522 C LYS A 94 0.884 -0.279 -21.923 1.00 0.00 C ATOM 1523 O LYS A 94 1.653 -1.167 -21.609 1.00 0.00 O ATOM 1524 CB LYS A 94 -1.295 0.533 -21.011 1.00 0.00 C ATOM 1525 CG LYS A 94 -1.951 1.522 -20.045 1.00 0.00 C ATOM 1526 CD LYS A 94 -3.467 1.316 -20.055 1.00 0.00 C ATOM 1527 CE LYS A 94 -4.164 2.661 -20.264 1.00 0.00 C ATOM 1528 NZ LYS A 94 -5.641 2.465 -20.242 1.00 0.00 N ATOM 0 H LYS A 94 -0.046 2.658 -21.404 1.00 0.00 H new ATOM 0 HA LYS A 94 0.518 0.270 -19.874 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.587 0.762 -22.036 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.639 -0.480 -20.800 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.560 1.377 -19.038 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -1.710 2.545 -20.336 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.745 0.623 -20.849 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -3.790 0.869 -19.115 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.868 3.361 -19.483 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -3.859 3.097 -21.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.115 3.380 -20.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -5.916 1.811 -21.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.925 2.067 -19.324 1.00 0.00 H new ATOM 1542 N GLU A 95 0.589 -0.051 -23.174 1.00 0.00 N ATOM 1543 CA GLU A 95 1.198 -0.886 -24.247 1.00 0.00 C ATOM 1544 C GLU A 95 2.704 -1.010 -24.004 1.00 0.00 C ATOM 1545 O GLU A 95 3.328 -1.978 -24.392 1.00 0.00 O ATOM 1546 CB GLU A 95 0.954 -0.229 -25.607 1.00 0.00 C ATOM 1547 CG GLU A 95 1.414 1.230 -25.560 1.00 0.00 C ATOM 1548 CD GLU A 95 2.507 1.455 -26.606 1.00 0.00 C ATOM 1549 OE1 GLU A 95 2.444 0.819 -27.645 1.00 0.00 O ATOM 1550 OE2 GLU A 95 3.389 2.257 -26.350 1.00 0.00 O ATOM 0 H GLU A 95 -0.047 0.677 -23.499 1.00 0.00 H new ATOM 0 HA GLU A 95 0.745 -1.877 -24.236 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.496 -0.767 -26.385 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -0.104 -0.279 -25.862 1.00 0.00 H new ATOM 0 HG2 GLU A 95 0.571 1.894 -25.751 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.792 1.471 -24.566 1.00 0.00 H new ATOM 1557 N LEU A 96 3.292 -0.037 -23.365 1.00 0.00 N ATOM 1558 CA LEU A 96 4.757 -0.099 -23.098 1.00 0.00 C ATOM 1559 C LEU A 96 5.021 -1.043 -21.923 1.00 0.00 C ATOM 1560 O LEU A 96 5.952 -1.823 -21.937 1.00 0.00 O ATOM 1561 CB LEU A 96 5.273 1.300 -22.754 1.00 0.00 C ATOM 1562 CG LEU A 96 5.469 2.102 -24.041 1.00 0.00 C ATOM 1563 CD1 LEU A 96 6.010 3.491 -23.700 1.00 0.00 C ATOM 1564 CD2 LEU A 96 6.467 1.376 -24.946 1.00 0.00 C ATOM 0 H LEU A 96 2.822 0.798 -23.016 1.00 0.00 H new ATOM 0 HA LEU A 96 5.273 -0.468 -23.984 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.566 1.809 -22.100 1.00 0.00 H new ATOM 0 HB3 LEU A 96 6.215 1.228 -22.211 1.00 0.00 H new ATOM 0 HG LEU A 96 4.514 2.201 -24.556 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.150 4.062 -24.618 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.301 4.009 -23.054 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.966 3.393 -23.185 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.608 1.947 -25.864 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.422 1.278 -24.430 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.083 0.385 -25.190 1.00 0.00 H new ATOM 1576 N GLY A 97 4.207 -0.980 -20.905 1.00 0.00 N ATOM 1577 CA GLY A 97 4.411 -1.873 -19.730 1.00 0.00 C ATOM 1578 C GLY A 97 3.657 -1.312 -18.523 1.00 0.00 C ATOM 1579 O GLY A 97 4.244 -0.981 -17.512 1.00 0.00 O ATOM 0 H GLY A 97 3.409 -0.348 -20.836 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.056 -2.878 -19.958 1.00 0.00 H new ATOM 0 HA3 GLY A 97 5.474 -1.954 -19.502 1.00 0.00 H new ATOM 1583 N ALA A 98 2.361 -1.204 -18.620 1.00 0.00 N ATOM 1584 CA ALA A 98 1.570 -0.666 -17.477 1.00 0.00 C ATOM 1585 C ALA A 98 0.166 -1.271 -17.500 1.00 0.00 C ATOM 1586 O ALA A 98 -0.596 -1.060 -18.423 1.00 0.00 O ATOM 1587 CB ALA A 98 1.472 0.856 -17.597 1.00 0.00 C ATOM 0 H ALA A 98 1.815 -1.465 -19.441 1.00 0.00 H new ATOM 0 HA ALA A 98 2.062 -0.926 -16.540 1.00 0.00 H new ATOM 0 HB1 ALA A 98 0.894 1.250 -16.761 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.473 1.287 -17.581 1.00 0.00 H new ATOM 0 HB3 ALA A 98 0.980 1.116 -18.534 1.00 0.00 H new ATOM 1593 N LEU A 99 -0.185 -2.022 -16.492 1.00 0.00 N ATOM 1594 CA LEU A 99 -1.540 -2.640 -16.459 1.00 0.00 C ATOM 1595 C LEU A 99 -2.583 -1.603 -16.881 1.00 0.00 C ATOM 1596 O LEU A 99 -2.972 -1.532 -18.030 1.00 0.00 O ATOM 1597 CB LEU A 99 -1.849 -3.119 -15.039 1.00 0.00 C ATOM 1598 CG LEU A 99 -1.072 -4.404 -14.751 1.00 0.00 C ATOM 1599 CD1 LEU A 99 -1.517 -4.979 -13.405 1.00 0.00 C ATOM 1600 CD2 LEU A 99 -1.350 -5.426 -15.856 1.00 0.00 C ATOM 0 H LEU A 99 0.408 -2.234 -15.690 1.00 0.00 H new ATOM 0 HA LEU A 99 -1.568 -3.487 -17.144 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -1.578 -2.348 -14.317 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -2.919 -3.296 -14.929 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.005 -4.183 -14.718 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.963 -5.895 -13.200 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.322 -4.252 -12.616 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.584 -5.200 -13.439 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.796 -6.342 -15.652 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.417 -5.646 -15.888 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.035 -5.018 -16.816 1.00 0.00 H new ATOM 1612 N THR A 100 -3.039 -0.799 -15.960 1.00 0.00 N ATOM 1613 CA THR A 100 -4.056 0.232 -16.308 1.00 0.00 C ATOM 1614 C THR A 100 -3.603 1.594 -15.778 1.00 0.00 C ATOM 1615 O THR A 100 -2.890 1.683 -14.799 1.00 0.00 O ATOM 1616 CB THR A 100 -5.398 -0.142 -15.674 1.00 0.00 C ATOM 1617 OG1 THR A 100 -6.397 0.768 -16.113 1.00 0.00 O ATOM 1618 CG2 THR A 100 -5.280 -0.077 -14.151 1.00 0.00 C ATOM 0 H THR A 100 -2.751 -0.812 -14.982 1.00 0.00 H new ATOM 0 HA THR A 100 -4.167 0.283 -17.391 1.00 0.00 H new ATOM 0 HB THR A 100 -5.672 -1.154 -15.972 1.00 0.00 H new ATOM 0 HG1 THR A 100 -7.257 0.529 -15.709 1.00 0.00 H new ATOM 0 HG21 THR A 100 -6.236 -0.343 -13.700 1.00 0.00 H new ATOM 0 HG22 THR A 100 -4.513 -0.775 -13.815 1.00 0.00 H new ATOM 0 HG23 THR A 100 -5.006 0.934 -13.850 1.00 0.00 H new ATOM 1626 N HIS A 101 -4.011 2.655 -16.417 1.00 0.00 N ATOM 1627 CA HIS A 101 -3.602 4.011 -15.950 1.00 0.00 C ATOM 1628 C HIS A 101 -4.756 4.655 -15.177 1.00 0.00 C ATOM 1629 O HIS A 101 -5.651 5.239 -15.754 1.00 0.00 O ATOM 1630 CB HIS A 101 -3.251 4.879 -17.161 1.00 0.00 C ATOM 1631 CG HIS A 101 -2.363 6.013 -16.728 1.00 0.00 C ATOM 1632 ND1 HIS A 101 -1.128 6.245 -17.311 1.00 0.00 N ATOM 1633 CD2 HIS A 101 -2.519 6.989 -15.778 1.00 0.00 C ATOM 1634 CE1 HIS A 101 -0.593 7.325 -16.711 1.00 0.00 C ATOM 1635 NE2 HIS A 101 -1.400 7.818 -15.767 1.00 0.00 N ATOM 0 H HIS A 101 -4.610 2.643 -17.243 1.00 0.00 H new ATOM 0 HA HIS A 101 -2.733 3.926 -15.298 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -2.747 4.278 -17.918 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -4.161 5.270 -17.617 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -0.702 5.697 -18.059 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -3.380 7.098 -15.135 1.00 0.00 H new ATOM 0 HE1 HIS A 101 0.371 7.742 -16.962 1.00 0.00 H new ATOM 1643 N PHE A 102 -4.742 4.556 -13.875 1.00 0.00 N ATOM 1644 CA PHE A 102 -5.838 5.166 -13.070 1.00 0.00 C ATOM 1645 C PHE A 102 -5.692 6.688 -13.084 1.00 0.00 C ATOM 1646 O PHE A 102 -4.684 7.219 -13.502 1.00 0.00 O ATOM 1647 CB PHE A 102 -5.758 4.662 -11.627 1.00 0.00 C ATOM 1648 CG PHE A 102 -6.378 3.288 -11.535 1.00 0.00 C ATOM 1649 CD1 PHE A 102 -5.593 2.149 -11.749 1.00 0.00 C ATOM 1650 CD2 PHE A 102 -7.739 3.154 -11.234 1.00 0.00 C ATOM 1651 CE1 PHE A 102 -6.168 0.876 -11.661 1.00 0.00 C ATOM 1652 CE2 PHE A 102 -8.314 1.880 -11.146 1.00 0.00 C ATOM 1653 CZ PHE A 102 -7.529 0.742 -11.360 1.00 0.00 C ATOM 0 H PHE A 102 -4.020 4.080 -13.335 1.00 0.00 H new ATOM 0 HA PHE A 102 -6.800 4.886 -13.499 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -4.719 4.625 -11.301 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -6.277 5.351 -10.961 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -4.544 2.253 -11.982 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -8.345 4.033 -11.070 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -5.562 -0.003 -11.825 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -9.363 1.776 -10.913 1.00 0.00 H new ATOM 0 HZ PHE A 102 -7.973 -0.240 -11.293 1.00 0.00 H new ATOM 1663 N ALA A 103 -6.689 7.395 -12.629 1.00 0.00 N ATOM 1664 CA ALA A 103 -6.600 8.882 -12.617 1.00 0.00 C ATOM 1665 C ALA A 103 -7.339 9.426 -11.392 1.00 0.00 C ATOM 1666 O ALA A 103 -7.390 8.795 -10.355 1.00 0.00 O ATOM 1667 CB ALA A 103 -7.238 9.442 -13.890 1.00 0.00 C ATOM 0 H ALA A 103 -7.560 7.008 -12.266 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.554 9.184 -12.574 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.173 10.530 -13.881 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -6.711 9.054 -14.762 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.285 9.141 -13.935 1.00 0.00 H new ATOM 1673 N LYS A 104 -7.913 10.593 -11.503 1.00 0.00 N ATOM 1674 CA LYS A 104 -8.649 11.173 -10.344 1.00 0.00 C ATOM 1675 C LYS A 104 -9.822 12.019 -10.853 1.00 0.00 C ATOM 1676 O LYS A 104 -9.734 12.627 -11.900 1.00 0.00 O ATOM 1677 CB LYS A 104 -7.701 12.056 -9.528 1.00 0.00 C ATOM 1678 CG LYS A 104 -7.161 13.180 -10.414 1.00 0.00 C ATOM 1679 CD LYS A 104 -7.380 14.527 -9.722 1.00 0.00 C ATOM 1680 CE LYS A 104 -6.317 15.521 -10.191 1.00 0.00 C ATOM 1681 NZ LYS A 104 -5.698 16.182 -9.007 1.00 0.00 N ATOM 0 H LYS A 104 -7.904 11.169 -12.345 1.00 0.00 H new ATOM 0 HA LYS A 104 -9.028 10.367 -9.716 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -8.226 12.475 -8.670 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -6.877 11.459 -9.137 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -6.099 13.027 -10.607 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -7.665 13.170 -11.380 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -8.375 14.908 -9.951 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -7.327 14.405 -8.640 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -5.554 15.005 -10.774 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -6.766 16.269 -10.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -4.975 16.858 -9.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -6.431 16.687 -8.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -5.256 15.463 -8.400 1.00 0.00 H new ATOM 1695 N PRO A 105 -10.886 12.028 -10.092 1.00 0.00 N ATOM 1696 CA PRO A 105 -10.978 11.283 -8.822 1.00 0.00 C ATOM 1697 C PRO A 105 -11.236 9.798 -9.092 1.00 0.00 C ATOM 1698 O PRO A 105 -11.551 9.404 -10.197 1.00 0.00 O ATOM 1699 CB PRO A 105 -12.174 11.927 -8.115 1.00 0.00 C ATOM 1700 CG PRO A 105 -13.030 12.587 -9.222 1.00 0.00 C ATOM 1701 CD PRO A 105 -12.103 12.789 -10.435 1.00 0.00 C ATOM 0 HA PRO A 105 -10.064 11.329 -8.229 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -12.752 11.180 -7.570 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -11.843 12.667 -7.387 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -13.878 11.955 -9.484 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -13.436 13.540 -8.882 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -12.560 12.417 -11.352 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -11.881 13.844 -10.595 1.00 0.00 H new ATOM 1709 N PHE A 106 -11.105 8.971 -8.090 1.00 0.00 N ATOM 1710 CA PHE A 106 -11.342 7.514 -8.292 1.00 0.00 C ATOM 1711 C PHE A 106 -12.037 6.934 -7.059 1.00 0.00 C ATOM 1712 O PHE A 106 -12.563 7.654 -6.234 1.00 0.00 O ATOM 1713 CB PHE A 106 -10.003 6.804 -8.503 1.00 0.00 C ATOM 1714 CG PHE A 106 -9.107 7.056 -7.314 1.00 0.00 C ATOM 1715 CD1 PHE A 106 -8.378 8.248 -7.227 1.00 0.00 C ATOM 1716 CD2 PHE A 106 -9.006 6.098 -6.298 1.00 0.00 C ATOM 1717 CE1 PHE A 106 -7.548 8.482 -6.123 1.00 0.00 C ATOM 1718 CE2 PHE A 106 -8.176 6.331 -5.195 1.00 0.00 C ATOM 1719 CZ PHE A 106 -7.448 7.522 -5.108 1.00 0.00 C ATOM 0 H PHE A 106 -10.844 9.242 -7.142 1.00 0.00 H new ATOM 0 HA PHE A 106 -11.974 7.367 -9.168 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -10.163 5.733 -8.631 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -9.527 7.166 -9.414 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -8.455 8.987 -8.011 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -9.569 5.179 -6.365 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -6.986 9.402 -6.055 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -8.098 5.592 -4.412 1.00 0.00 H new ATOM 0 HZ PHE A 106 -6.808 7.702 -4.257 1.00 0.00 H new ATOM 1729 N ASP A 107 -12.042 5.635 -6.926 1.00 0.00 N ATOM 1730 CA ASP A 107 -12.703 5.010 -5.746 1.00 0.00 C ATOM 1731 C ASP A 107 -11.814 3.891 -5.199 1.00 0.00 C ATOM 1732 O ASP A 107 -11.396 3.008 -5.921 1.00 0.00 O ATOM 1733 CB ASP A 107 -14.054 4.427 -6.167 1.00 0.00 C ATOM 1734 CG ASP A 107 -14.921 4.204 -4.928 1.00 0.00 C ATOM 1735 OD1 ASP A 107 -14.612 4.782 -3.899 1.00 0.00 O ATOM 1736 OD2 ASP A 107 -15.881 3.457 -5.028 1.00 0.00 O ATOM 0 H ASP A 107 -11.617 4.981 -7.583 1.00 0.00 H new ATOM 0 HA ASP A 107 -12.857 5.764 -4.974 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -14.555 5.105 -6.858 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -13.907 3.485 -6.695 1.00 0.00 H new ATOM 1741 N ILE A 108 -11.520 3.922 -3.928 1.00 0.00 N ATOM 1742 CA ILE A 108 -10.658 2.860 -3.337 1.00 0.00 C ATOM 1743 C ILE A 108 -11.250 1.486 -3.657 1.00 0.00 C ATOM 1744 O ILE A 108 -10.567 0.481 -3.617 1.00 0.00 O ATOM 1745 CB ILE A 108 -10.588 3.045 -1.820 1.00 0.00 C ATOM 1746 CG1 ILE A 108 -9.742 4.278 -1.496 1.00 0.00 C ATOM 1747 CG2 ILE A 108 -9.952 1.808 -1.183 1.00 0.00 C ATOM 1748 CD1 ILE A 108 -8.351 4.118 -2.113 1.00 0.00 C ATOM 0 H ILE A 108 -11.839 4.636 -3.274 1.00 0.00 H new ATOM 0 HA ILE A 108 -9.655 2.930 -3.758 1.00 0.00 H new ATOM 0 HB ILE A 108 -11.594 3.180 -1.424 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -10.223 5.175 -1.885 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -9.661 4.403 -0.416 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -9.902 1.940 -0.102 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -10.554 0.929 -1.414 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -8.945 1.672 -1.579 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -7.748 4.996 -1.883 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -7.871 3.230 -1.702 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -8.442 4.014 -3.194 1.00 0.00 H new ATOM 1760 N ASP A 109 -12.514 1.433 -3.976 1.00 0.00 N ATOM 1761 CA ASP A 109 -13.146 0.124 -4.298 1.00 0.00 C ATOM 1762 C ASP A 109 -12.697 -0.331 -5.688 1.00 0.00 C ATOM 1763 O ASP A 109 -12.406 -1.490 -5.909 1.00 0.00 O ATOM 1764 CB ASP A 109 -14.669 0.274 -4.278 1.00 0.00 C ATOM 1765 CG ASP A 109 -15.154 0.365 -2.831 1.00 0.00 C ATOM 1766 OD1 ASP A 109 -15.195 -0.662 -2.174 1.00 0.00 O ATOM 1767 OD2 ASP A 109 -15.476 1.461 -2.402 1.00 0.00 O ATOM 0 H ASP A 109 -13.136 2.240 -4.027 1.00 0.00 H new ATOM 0 HA ASP A 109 -12.844 -0.617 -3.558 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -14.964 1.167 -4.828 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -15.135 -0.576 -4.776 1.00 0.00 H new ATOM 1772 N GLU A 110 -12.637 0.573 -6.628 1.00 0.00 N ATOM 1773 CA GLU A 110 -12.205 0.191 -8.001 1.00 0.00 C ATOM 1774 C GLU A 110 -10.703 -0.102 -8.002 1.00 0.00 C ATOM 1775 O GLU A 110 -10.222 -0.925 -8.755 1.00 0.00 O ATOM 1776 CB GLU A 110 -12.502 1.340 -8.967 1.00 0.00 C ATOM 1777 CG GLU A 110 -12.132 0.919 -10.391 1.00 0.00 C ATOM 1778 CD GLU A 110 -12.220 2.131 -11.321 1.00 0.00 C ATOM 1779 OE1 GLU A 110 -12.463 3.218 -10.824 1.00 0.00 O ATOM 1780 OE2 GLU A 110 -12.044 1.951 -12.515 1.00 0.00 O ATOM 0 H GLU A 110 -12.868 1.559 -6.504 1.00 0.00 H new ATOM 0 HA GLU A 110 -12.748 -0.700 -8.318 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -13.558 1.607 -8.918 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -11.936 2.226 -8.680 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -11.123 0.506 -10.409 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -12.804 0.133 -10.736 1.00 0.00 H new ATOM 1787 N ILE A 111 -9.960 0.567 -7.164 1.00 0.00 N ATOM 1788 CA ILE A 111 -8.490 0.325 -7.116 1.00 0.00 C ATOM 1789 C ILE A 111 -8.220 -1.069 -6.548 1.00 0.00 C ATOM 1790 O ILE A 111 -7.593 -1.897 -7.179 1.00 0.00 O ATOM 1791 CB ILE A 111 -7.830 1.377 -6.223 1.00 0.00 C ATOM 1792 CG1 ILE A 111 -8.232 2.775 -6.699 1.00 0.00 C ATOM 1793 CG2 ILE A 111 -6.308 1.232 -6.302 1.00 0.00 C ATOM 1794 CD1 ILE A 111 -7.532 3.087 -8.022 1.00 0.00 C ATOM 0 H ILE A 111 -10.306 1.270 -6.511 1.00 0.00 H new ATOM 0 HA ILE A 111 -8.078 0.392 -8.123 1.00 0.00 H new ATOM 0 HB ILE A 111 -8.157 1.234 -5.193 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -9.313 2.830 -6.826 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -7.961 3.518 -5.949 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -5.838 1.982 -5.666 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -6.019 0.237 -5.964 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -5.982 1.374 -7.332 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -7.819 4.083 -8.360 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -6.452 3.050 -7.880 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -7.825 2.351 -8.771 1.00 0.00 H new ATOM 1806 N ARG A 112 -8.685 -1.335 -5.358 1.00 0.00 N ATOM 1807 CA ARG A 112 -8.455 -2.675 -4.748 1.00 0.00 C ATOM 1808 C ARG A 112 -9.081 -3.755 -5.634 1.00 0.00 C ATOM 1809 O ARG A 112 -8.551 -4.838 -5.778 1.00 0.00 O ATOM 1810 CB ARG A 112 -9.095 -2.720 -3.360 1.00 0.00 C ATOM 1811 CG ARG A 112 -10.586 -2.397 -3.474 1.00 0.00 C ATOM 1812 CD ARG A 112 -11.142 -2.054 -2.091 1.00 0.00 C ATOM 1813 NE ARG A 112 -12.538 -2.562 -1.977 1.00 0.00 N ATOM 1814 CZ ARG A 112 -12.760 -3.833 -1.774 1.00 0.00 C ATOM 1815 NH1 ARG A 112 -11.759 -4.666 -1.669 1.00 0.00 N ATOM 1816 NH2 ARG A 112 -13.984 -4.273 -1.677 1.00 0.00 N ATOM 0 H ARG A 112 -9.215 -0.681 -4.781 1.00 0.00 H new ATOM 0 HA ARG A 112 -7.383 -2.854 -4.660 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -8.959 -3.707 -2.917 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -8.606 -2.004 -2.699 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -10.736 -1.560 -4.156 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -11.122 -3.249 -3.892 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -10.518 -2.498 -1.316 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -11.122 -0.975 -1.937 1.00 0.00 H new ATOM 0 HE ARG A 112 -13.323 -1.915 -2.058 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -10.801 -4.324 -1.746 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -11.936 -5.658 -1.510 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -14.767 -3.625 -1.760 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -14.158 -5.265 -1.518 1.00 0.00 H new ATOM 1830 N ASP A 113 -10.206 -3.467 -6.230 1.00 0.00 N ATOM 1831 CA ASP A 113 -10.865 -4.478 -7.104 1.00 0.00 C ATOM 1832 C ASP A 113 -9.920 -4.857 -8.246 1.00 0.00 C ATOM 1833 O ASP A 113 -9.628 -6.016 -8.464 1.00 0.00 O ATOM 1834 CB ASP A 113 -12.154 -3.889 -7.683 1.00 0.00 C ATOM 1835 CG ASP A 113 -13.266 -3.967 -6.636 1.00 0.00 C ATOM 1836 OD1 ASP A 113 -13.195 -4.842 -5.788 1.00 0.00 O ATOM 1837 OD2 ASP A 113 -14.170 -3.150 -6.699 1.00 0.00 O ATOM 0 H ASP A 113 -10.697 -2.576 -6.149 1.00 0.00 H new ATOM 0 HA ASP A 113 -11.102 -5.366 -6.518 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -11.992 -2.853 -7.980 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -12.445 -4.436 -8.580 1.00 0.00 H new ATOM 1842 N ALA A 114 -9.440 -3.889 -8.978 1.00 0.00 N ATOM 1843 CA ALA A 114 -8.515 -4.196 -10.106 1.00 0.00 C ATOM 1844 C ALA A 114 -7.305 -4.968 -9.575 1.00 0.00 C ATOM 1845 O ALA A 114 -6.849 -5.918 -10.181 1.00 0.00 O ATOM 1846 CB ALA A 114 -8.045 -2.891 -10.749 1.00 0.00 C ATOM 0 H ALA A 114 -9.648 -2.899 -8.844 1.00 0.00 H new ATOM 0 HA ALA A 114 -9.035 -4.800 -10.850 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -7.369 -3.115 -11.574 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -8.907 -2.340 -11.126 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -7.524 -2.286 -10.006 1.00 0.00 H new ATOM 1852 N VAL A 115 -6.781 -4.568 -8.448 1.00 0.00 N ATOM 1853 CA VAL A 115 -5.601 -5.280 -7.882 1.00 0.00 C ATOM 1854 C VAL A 115 -6.003 -6.704 -7.492 1.00 0.00 C ATOM 1855 O VAL A 115 -5.184 -7.599 -7.442 1.00 0.00 O ATOM 1856 CB VAL A 115 -5.104 -4.533 -6.643 1.00 0.00 C ATOM 1857 CG1 VAL A 115 -4.075 -5.394 -5.907 1.00 0.00 C ATOM 1858 CG2 VAL A 115 -4.452 -3.216 -7.070 1.00 0.00 C ATOM 0 H VAL A 115 -7.119 -3.780 -7.896 1.00 0.00 H new ATOM 0 HA VAL A 115 -4.807 -5.319 -8.627 1.00 0.00 H new ATOM 0 HB VAL A 115 -5.945 -4.326 -5.982 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -3.720 -4.862 -5.024 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -4.537 -6.333 -5.604 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -3.234 -5.600 -6.568 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -4.097 -2.683 -6.188 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -3.611 -3.424 -7.731 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -5.183 -2.602 -7.596 1.00 0.00 H new ATOM 1868 N LYS A 116 -7.261 -6.920 -7.217 1.00 0.00 N ATOM 1869 CA LYS A 116 -7.714 -8.285 -6.831 1.00 0.00 C ATOM 1870 C LYS A 116 -7.702 -9.193 -8.062 1.00 0.00 C ATOM 1871 O LYS A 116 -7.243 -10.318 -8.013 1.00 0.00 O ATOM 1872 CB LYS A 116 -9.134 -8.211 -6.266 1.00 0.00 C ATOM 1873 CG LYS A 116 -9.097 -7.586 -4.870 1.00 0.00 C ATOM 1874 CD LYS A 116 -9.876 -8.470 -3.893 1.00 0.00 C ATOM 1875 CE LYS A 116 -8.894 -9.253 -3.019 1.00 0.00 C ATOM 1876 NZ LYS A 116 -9.505 -9.495 -1.682 1.00 0.00 N ATOM 0 H LYS A 116 -7.993 -6.210 -7.243 1.00 0.00 H new ATOM 0 HA LYS A 116 -7.043 -8.690 -6.074 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -9.768 -7.618 -6.925 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -9.570 -9.209 -6.218 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -8.065 -7.478 -4.536 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -9.530 -6.586 -4.896 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -10.525 -7.856 -3.269 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -10.519 -9.158 -4.442 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -8.644 -10.202 -3.494 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -7.963 -8.696 -2.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -8.767 -9.793 -1.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -9.950 -8.619 -1.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -10.225 -10.242 -1.759 1.00 0.00 H new ATOM 1890 N LYS A 117 -8.206 -8.716 -9.168 1.00 0.00 N ATOM 1891 CA LYS A 117 -8.223 -9.553 -10.400 1.00 0.00 C ATOM 1892 C LYS A 117 -6.787 -9.841 -10.843 1.00 0.00 C ATOM 1893 O LYS A 117 -6.453 -10.946 -11.221 1.00 0.00 O ATOM 1894 CB LYS A 117 -8.960 -8.805 -11.514 1.00 0.00 C ATOM 1895 CG LYS A 117 -9.879 -9.775 -12.259 1.00 0.00 C ATOM 1896 CD LYS A 117 -11.198 -9.918 -11.495 1.00 0.00 C ATOM 1897 CE LYS A 117 -12.318 -10.283 -12.471 1.00 0.00 C ATOM 1898 NZ LYS A 117 -12.625 -11.736 -12.354 1.00 0.00 N ATOM 0 H LYS A 117 -8.606 -7.783 -9.271 1.00 0.00 H new ATOM 0 HA LYS A 117 -8.734 -10.493 -10.193 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -9.543 -7.986 -11.093 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -8.243 -8.363 -12.206 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -10.069 -9.410 -13.268 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -9.396 -10.747 -12.357 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -11.105 -10.687 -10.728 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -11.437 -8.986 -10.983 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -13.209 -9.694 -12.255 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -12.018 -10.045 -13.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -13.386 -11.984 -13.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -11.774 -12.290 -12.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -12.929 -11.949 -11.383 1.00 0.00 H new ATOM 1912 N TYR A 118 -5.934 -8.854 -10.801 1.00 0.00 N ATOM 1913 CA TYR A 118 -4.521 -9.072 -11.219 1.00 0.00 C ATOM 1914 C TYR A 118 -3.849 -10.054 -10.257 1.00 0.00 C ATOM 1915 O TYR A 118 -3.552 -11.178 -10.610 1.00 0.00 O ATOM 1916 CB TYR A 118 -3.769 -7.739 -11.194 1.00 0.00 C ATOM 1917 CG TYR A 118 -4.327 -6.826 -12.260 1.00 0.00 C ATOM 1918 CD1 TYR A 118 -4.269 -7.205 -13.607 1.00 0.00 C ATOM 1919 CD2 TYR A 118 -4.903 -5.602 -11.902 1.00 0.00 C ATOM 1920 CE1 TYR A 118 -4.785 -6.359 -14.595 1.00 0.00 C ATOM 1921 CE2 TYR A 118 -5.419 -4.756 -12.890 1.00 0.00 C ATOM 1922 CZ TYR A 118 -5.361 -5.134 -14.237 1.00 0.00 C ATOM 1923 OH TYR A 118 -5.870 -4.300 -15.211 1.00 0.00 O ATOM 0 H TYR A 118 -6.155 -7.906 -10.495 1.00 0.00 H new ATOM 0 HA TYR A 118 -4.501 -9.482 -12.229 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.866 -7.273 -10.214 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -2.705 -7.906 -11.364 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -3.826 -8.150 -13.883 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -4.949 -5.310 -10.863 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -4.739 -6.651 -15.634 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -5.862 -3.811 -12.613 1.00 0.00 H new ATOM 0 HH TYR A 118 -6.234 -3.492 -14.792 1.00 0.00 H new ATOM 1933 N LEU A 119 -3.607 -9.637 -9.044 1.00 0.00 N ATOM 1934 CA LEU A 119 -2.955 -10.545 -8.059 1.00 0.00 C ATOM 1935 C LEU A 119 -4.032 -11.330 -7.297 1.00 0.00 C ATOM 1936 O LEU A 119 -4.782 -10.757 -6.533 1.00 0.00 O ATOM 1937 CB LEU A 119 -2.140 -9.713 -7.066 1.00 0.00 C ATOM 1938 CG LEU A 119 -1.171 -10.623 -6.311 1.00 0.00 C ATOM 1939 CD1 LEU A 119 -0.132 -11.184 -7.284 1.00 0.00 C ATOM 1940 CD2 LEU A 119 -0.462 -9.817 -5.219 1.00 0.00 C ATOM 0 H LEU A 119 -3.833 -8.706 -8.693 1.00 0.00 H new ATOM 0 HA LEU A 119 -2.298 -11.240 -8.583 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -1.588 -8.935 -7.594 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -2.806 -9.211 -6.364 1.00 0.00 H new ATOM 0 HG LEU A 119 -1.724 -11.445 -5.857 1.00 0.00 H new ATOM 0 HD11 LEU A 119 0.558 -11.833 -6.745 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -0.635 -11.757 -8.063 1.00 0.00 H new ATOM 0 HD13 LEU A 119 0.422 -10.362 -7.738 1.00 0.00 H new ATOM 0 HD21 LEU A 119 0.229 -10.465 -4.680 1.00 0.00 H new ATOM 0 HD22 LEU A 119 0.091 -8.995 -5.674 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -1.201 -9.417 -4.525 1.00 0.00 H new ATOM 1952 N PRO A 120 -4.079 -12.620 -7.525 1.00 0.00 N ATOM 1953 CA PRO A 120 -5.059 -13.503 -6.867 1.00 0.00 C ATOM 1954 C PRO A 120 -4.624 -13.807 -5.429 1.00 0.00 C ATOM 1955 O PRO A 120 -3.471 -14.086 -5.166 1.00 0.00 O ATOM 1956 CB PRO A 120 -5.035 -14.771 -7.724 1.00 0.00 C ATOM 1957 CG PRO A 120 -3.674 -14.774 -8.458 1.00 0.00 C ATOM 1958 CD PRO A 120 -3.167 -13.320 -8.453 1.00 0.00 C ATOM 0 HA PRO A 120 -6.053 -13.062 -6.797 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -5.144 -15.661 -7.104 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -5.860 -14.775 -8.436 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -2.965 -15.433 -7.957 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -3.785 -15.142 -9.478 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -2.132 -13.260 -8.115 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -3.202 -12.883 -9.451 1.00 0.00 H new ATOM 1966 N LEU A 121 -5.537 -13.754 -4.500 1.00 0.00 N ATOM 1967 CA LEU A 121 -5.174 -14.039 -3.082 1.00 0.00 C ATOM 1968 C LEU A 121 -5.842 -15.342 -2.637 1.00 0.00 C ATOM 1969 O LEU A 121 -6.070 -16.236 -3.429 1.00 0.00 O ATOM 1970 CB LEU A 121 -5.653 -12.891 -2.192 1.00 0.00 C ATOM 1971 CG LEU A 121 -4.647 -12.667 -1.062 1.00 0.00 C ATOM 1972 CD1 LEU A 121 -3.345 -12.108 -1.641 1.00 0.00 C ATOM 1973 CD2 LEU A 121 -5.225 -11.671 -0.055 1.00 0.00 C ATOM 0 H LEU A 121 -6.518 -13.526 -4.660 1.00 0.00 H new ATOM 0 HA LEU A 121 -4.092 -14.137 -2.997 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -5.762 -11.981 -2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -6.635 -13.123 -1.779 1.00 0.00 H new ATOM 0 HG LEU A 121 -4.445 -13.614 -0.562 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -2.628 -11.948 -0.836 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.932 -12.817 -2.359 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -3.546 -11.161 -2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -4.508 -11.511 0.751 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -5.427 -10.724 -0.555 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -6.152 -12.068 0.358 1.00 0.00 H new