USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 658 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 69 SER OG : rot 110:sc= -5.39! USER MOD Set 1.2: A 72 GLN : amide:sc= -1.04 K(o=-6.4,f=-5.4) USER MOD Set 2.1: A 17 HIS : no HE2:sc= -15.7! C(o=-16!,f=-20!) USER MOD Set 2.2: A 30 TYR OH : rot -80:sc= -0.62 USER MOD Single : A 2 LYS NZ :NH3+ -131:sc= 0.188 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -2.04 K(o=-2,f=-0.25) USER MOD Single : A 9 GLN : amide:sc= -0.192 K(o=-0.19,f=-1.9!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.384 K(o=-0.38,f=-2.7!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.00614) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.458 X(o=-0.46,f=-0.94) USER MOD Single : A 40 CYS SG : rot 49:sc= -0.538 USER MOD Single : A 42 THR OG1 : rot -115:sc= 2.15 USER MOD Single : A 47 TYR OH : rot -56:sc= -7.94! USER MOD Single : A 55 GLN : amide:sc= -0.823 K(o=-0.82,f=-0.3) USER MOD Single : A 58 GLN : amide:sc= -0.0895 K(o=-0.09,f=-2.4!) USER MOD Single : A 59 SER OG : rot -28:sc= -0.805 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 74:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 25 N LYS A 2 -4.440 4.780 9.829 1.00 0.00 N ATOM 26 CA LYS A 2 -3.161 5.322 9.296 1.00 0.00 C ATOM 27 C LYS A 2 -2.281 4.184 8.784 1.00 0.00 C ATOM 28 O LYS A 2 -2.136 3.156 9.416 1.00 0.00 O ATOM 29 CB LYS A 2 -2.406 6.058 10.399 1.00 0.00 C ATOM 30 CG LYS A 2 -2.404 7.559 10.108 1.00 0.00 C ATOM 31 CD LYS A 2 -1.100 8.174 10.621 1.00 0.00 C ATOM 32 CE LYS A 2 0.074 7.670 9.776 1.00 0.00 C ATOM 33 NZ LYS A 2 1.167 8.683 9.793 1.00 0.00 N ATOM 0 HA LYS A 2 -3.392 6.008 8.481 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.874 5.865 11.364 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -1.382 5.688 10.462 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -2.504 7.733 9.037 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -3.258 8.035 10.590 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.155 9.262 10.573 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.948 7.909 11.667 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.437 6.720 10.168 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.252 7.488 8.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.487 8.865 8.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 0.815 9.567 10.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.963 8.325 10.358 1.00 0.00 H new ATOM 47 N ALA A 3 -1.678 4.379 7.651 1.00 0.00 N ATOM 48 CA ALA A 3 -0.779 3.336 7.083 1.00 0.00 C ATOM 49 C ALA A 3 0.638 3.904 6.990 1.00 0.00 C ATOM 50 O ALA A 3 0.832 5.101 6.921 1.00 0.00 O ATOM 51 CB ALA A 3 -1.265 2.940 5.686 1.00 0.00 C ATOM 0 H ALA A 3 -1.768 5.223 7.086 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.785 2.455 7.724 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.605 2.177 5.274 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.279 2.546 5.752 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.258 3.815 5.037 1.00 0.00 H new ATOM 57 N VAL A 4 1.632 3.060 6.996 1.00 0.00 N ATOM 58 CA VAL A 4 3.032 3.563 6.914 1.00 0.00 C ATOM 59 C VAL A 4 3.895 2.550 6.163 1.00 0.00 C ATOM 60 O VAL A 4 3.996 1.403 6.549 1.00 0.00 O ATOM 61 CB VAL A 4 3.583 3.754 8.328 1.00 0.00 C ATOM 62 CG1 VAL A 4 5.039 4.222 8.254 1.00 0.00 C ATOM 63 CG2 VAL A 4 2.742 4.804 9.062 1.00 0.00 C ATOM 0 H VAL A 4 1.536 2.046 7.054 1.00 0.00 H new ATOM 0 HA VAL A 4 3.048 4.515 6.383 1.00 0.00 H new ATOM 0 HB VAL A 4 3.537 2.808 8.868 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.429 4.357 9.263 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.635 3.474 7.731 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.090 5.168 7.715 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.132 4.943 10.070 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.788 5.750 8.522 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.707 4.468 9.117 1.00 0.00 H new ATOM 73 N ILE A 5 4.520 2.961 5.093 1.00 0.00 N ATOM 74 CA ILE A 5 5.374 2.005 4.329 1.00 0.00 C ATOM 75 C ILE A 5 6.846 2.277 4.629 1.00 0.00 C ATOM 76 O ILE A 5 7.446 3.187 4.091 1.00 0.00 O ATOM 77 CB ILE A 5 5.118 2.162 2.833 1.00 0.00 C ATOM 78 CG1 ILE A 5 3.592 2.234 2.603 1.00 0.00 C ATOM 79 CG2 ILE A 5 5.744 0.970 2.094 1.00 0.00 C ATOM 80 CD1 ILE A 5 3.139 1.249 1.517 1.00 0.00 C ATOM 0 H ILE A 5 4.478 3.908 4.717 1.00 0.00 H new ATOM 0 HA ILE A 5 5.126 0.987 4.629 1.00 0.00 H new ATOM 0 HB ILE A 5 5.571 3.076 2.448 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.072 2.014 3.535 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.314 3.248 2.315 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.567 1.072 1.023 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.817 0.947 2.284 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.293 0.044 2.450 1.00 0.00 H new ATOM 0 HD11 ILE A 5 2.060 1.327 1.382 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.640 1.486 0.579 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.394 0.233 1.818 1.00 0.00 H new ATOM 92 N ASN A 6 7.428 1.491 5.489 1.00 0.00 N ATOM 93 CA ASN A 6 8.856 1.685 5.838 1.00 0.00 C ATOM 94 C ASN A 6 9.729 0.922 4.838 1.00 0.00 C ATOM 95 O ASN A 6 9.998 -0.251 5.002 1.00 0.00 O ATOM 96 CB ASN A 6 9.087 1.142 7.246 1.00 0.00 C ATOM 97 CG ASN A 6 8.210 1.907 8.239 1.00 0.00 C ATOM 98 OD1 ASN A 6 7.712 1.339 9.189 1.00 0.00 O ATOM 99 ND2 ASN A 6 8.000 3.182 8.058 1.00 0.00 N ATOM 0 H ASN A 6 6.969 0.716 5.968 1.00 0.00 H new ATOM 0 HA ASN A 6 9.116 2.743 5.802 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.851 0.078 7.280 1.00 0.00 H new ATOM 0 HB3 ASN A 6 10.137 1.244 7.519 1.00 0.00 H new ATOM 0 HD21 ASN A 6 7.417 3.701 8.715 1.00 0.00 H new ATOM 0 HD22 ASN A 6 8.418 3.660 7.260 1.00 0.00 H new ATOM 106 N GLY A 7 10.169 1.579 3.799 1.00 0.00 N ATOM 107 CA GLY A 7 11.018 0.893 2.784 1.00 0.00 C ATOM 108 C GLY A 7 12.274 0.327 3.450 1.00 0.00 C ATOM 109 O GLY A 7 12.737 -0.744 3.112 1.00 0.00 O ATOM 0 H GLY A 7 9.977 2.563 3.609 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.455 0.090 2.309 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.298 1.594 1.998 1.00 0.00 H new ATOM 113 N GLU A 8 12.833 1.038 4.390 1.00 0.00 N ATOM 114 CA GLU A 8 14.062 0.536 5.069 1.00 0.00 C ATOM 115 C GLU A 8 13.842 -0.908 5.527 1.00 0.00 C ATOM 116 O GLU A 8 14.760 -1.704 5.561 1.00 0.00 O ATOM 117 CB GLU A 8 14.374 1.416 6.281 1.00 0.00 C ATOM 118 CG GLU A 8 13.281 1.241 7.337 1.00 0.00 C ATOM 119 CD GLU A 8 13.391 2.359 8.376 1.00 0.00 C ATOM 120 OE1 GLU A 8 14.315 2.312 9.172 1.00 0.00 O ATOM 121 OE2 GLU A 8 12.551 3.243 8.357 1.00 0.00 O ATOM 0 H GLU A 8 12.494 1.943 4.717 1.00 0.00 H new ATOM 0 HA GLU A 8 14.899 0.570 4.372 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.344 1.146 6.699 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.437 2.461 5.978 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.298 1.263 6.866 1.00 0.00 H new ATOM 0 HG3 GLU A 8 13.380 0.269 7.821 1.00 0.00 H new ATOM 128 N GLN A 9 12.634 -1.254 5.882 1.00 0.00 N ATOM 129 CA GLN A 9 12.364 -2.646 6.339 1.00 0.00 C ATOM 130 C GLN A 9 11.986 -3.518 5.141 1.00 0.00 C ATOM 131 O GLN A 9 12.419 -4.647 5.022 1.00 0.00 O ATOM 132 CB GLN A 9 11.212 -2.637 7.345 1.00 0.00 C ATOM 133 CG GLN A 9 11.629 -1.849 8.588 1.00 0.00 C ATOM 134 CD GLN A 9 12.692 -2.635 9.357 1.00 0.00 C ATOM 135 OE1 GLN A 9 12.764 -3.843 9.255 1.00 0.00 O ATOM 136 NE2 GLN A 9 13.528 -1.995 10.129 1.00 0.00 N ATOM 0 H GLN A 9 11.824 -0.634 5.875 1.00 0.00 H new ATOM 0 HA GLN A 9 13.259 -3.050 6.812 1.00 0.00 H new ATOM 0 HB2 GLN A 9 10.326 -2.187 6.896 1.00 0.00 H new ATOM 0 HB3 GLN A 9 10.947 -3.658 7.620 1.00 0.00 H new ATOM 0 HG2 GLN A 9 12.021 -0.874 8.299 1.00 0.00 H new ATOM 0 HG3 GLN A 9 10.763 -1.669 9.225 1.00 0.00 H new ATOM 0 HE21 GLN A 9 13.468 -0.980 10.215 1.00 0.00 H new ATOM 0 HE22 GLN A 9 14.241 -2.510 10.646 1.00 0.00 H new ATOM 145 N ILE A 10 11.175 -3.008 4.257 1.00 0.00 N ATOM 146 CA ILE A 10 10.766 -3.813 3.075 1.00 0.00 C ATOM 147 C ILE A 10 11.983 -4.523 2.488 1.00 0.00 C ATOM 148 O ILE A 10 13.021 -3.931 2.273 1.00 0.00 O ATOM 149 CB ILE A 10 10.147 -2.906 2.012 1.00 0.00 C ATOM 150 CG1 ILE A 10 8.783 -2.421 2.494 1.00 0.00 C ATOM 151 CG2 ILE A 10 9.973 -3.695 0.712 1.00 0.00 C ATOM 152 CD1 ILE A 10 7.841 -3.611 2.637 1.00 0.00 C ATOM 0 H ILE A 10 10.778 -2.069 4.303 1.00 0.00 H new ATOM 0 HA ILE A 10 10.029 -4.552 3.390 1.00 0.00 H new ATOM 0 HB ILE A 10 10.799 -2.050 1.837 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.885 -1.908 3.450 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.371 -1.700 1.787 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.532 -3.051 -0.048 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.945 -4.049 0.368 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.318 -4.548 0.889 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.867 -3.264 2.981 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.730 -4.105 1.672 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.252 -4.315 3.360 1.00 0.00 H new ATOM 164 N ARG A 11 11.857 -5.791 2.231 1.00 0.00 N ATOM 165 CA ARG A 11 12.987 -6.558 1.662 1.00 0.00 C ATOM 166 C ARG A 11 12.542 -7.224 0.356 1.00 0.00 C ATOM 167 O ARG A 11 13.315 -7.885 -0.309 1.00 0.00 O ATOM 168 CB ARG A 11 13.401 -7.629 2.665 1.00 0.00 C ATOM 169 CG ARG A 11 14.183 -6.985 3.812 1.00 0.00 C ATOM 170 CD ARG A 11 15.628 -6.734 3.377 1.00 0.00 C ATOM 171 NE ARG A 11 16.416 -6.239 4.541 1.00 0.00 N ATOM 172 CZ ARG A 11 17.720 -6.238 4.496 1.00 0.00 C ATOM 173 NH1 ARG A 11 18.334 -6.118 3.351 1.00 0.00 N ATOM 174 NH2 ARG A 11 18.411 -6.355 5.597 1.00 0.00 N ATOM 0 H ARG A 11 11.008 -6.332 2.394 1.00 0.00 H new ATOM 0 HA ARG A 11 13.827 -5.894 1.458 1.00 0.00 H new ATOM 0 HB2 ARG A 11 12.519 -8.138 3.054 1.00 0.00 H new ATOM 0 HB3 ARG A 11 14.014 -8.385 2.173 1.00 0.00 H new ATOM 0 HG2 ARG A 11 13.713 -6.046 4.103 1.00 0.00 H new ATOM 0 HG3 ARG A 11 14.165 -7.635 4.687 1.00 0.00 H new ATOM 0 HD2 ARG A 11 16.068 -7.653 2.990 1.00 0.00 H new ATOM 0 HD3 ARG A 11 15.654 -6.003 2.569 1.00 0.00 H new ATOM 0 HE ARG A 11 15.935 -5.900 5.374 1.00 0.00 H new ATOM 0 HH11 ARG A 11 17.795 -6.025 2.490 1.00 0.00 H new ATOM 0 HH12 ARG A 11 19.353 -6.117 3.317 1.00 0.00 H new ATOM 0 HH21 ARG A 11 17.932 -6.447 6.493 1.00 0.00 H new ATOM 0 HH22 ARG A 11 19.430 -6.354 5.562 1.00 0.00 H new ATOM 188 N SER A 12 11.299 -7.057 -0.016 1.00 0.00 N ATOM 189 CA SER A 12 10.807 -7.684 -1.276 1.00 0.00 C ATOM 190 C SER A 12 9.348 -7.283 -1.516 1.00 0.00 C ATOM 191 O SER A 12 8.689 -6.747 -0.645 1.00 0.00 O ATOM 192 CB SER A 12 10.901 -9.206 -1.156 1.00 0.00 C ATOM 193 OG SER A 12 11.573 -9.726 -2.295 1.00 0.00 O ATOM 0 H SER A 12 10.605 -6.514 0.498 1.00 0.00 H new ATOM 0 HA SER A 12 11.418 -7.343 -2.112 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.438 -9.478 -0.247 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.903 -9.639 -1.079 1.00 0.00 H new ATOM 0 HG SER A 12 11.637 -10.701 -2.220 1.00 0.00 H new ATOM 199 N ILE A 13 8.837 -7.539 -2.691 1.00 0.00 N ATOM 200 CA ILE A 13 7.422 -7.174 -2.983 1.00 0.00 C ATOM 201 C ILE A 13 6.519 -7.749 -1.891 1.00 0.00 C ATOM 202 O ILE A 13 5.673 -7.066 -1.348 1.00 0.00 O ATOM 203 CB ILE A 13 7.009 -7.750 -4.339 1.00 0.00 C ATOM 204 CG1 ILE A 13 5.633 -7.208 -4.733 1.00 0.00 C ATOM 205 CG2 ILE A 13 6.938 -9.271 -4.237 1.00 0.00 C ATOM 206 CD1 ILE A 13 5.584 -5.697 -4.499 1.00 0.00 C ATOM 0 H ILE A 13 9.338 -7.984 -3.460 1.00 0.00 H new ATOM 0 HA ILE A 13 7.325 -6.089 -3.009 1.00 0.00 H new ATOM 0 HB ILE A 13 7.741 -7.462 -5.093 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.431 -7.430 -5.781 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.857 -7.701 -4.148 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.644 -9.687 -5.201 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.915 -9.663 -3.956 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.204 -9.551 -3.482 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.602 -5.317 -4.781 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.766 -5.486 -3.445 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.349 -5.210 -5.104 1.00 0.00 H new ATOM 218 N SER A 14 6.699 -8.999 -1.554 1.00 0.00 N ATOM 219 CA SER A 14 5.858 -9.602 -0.487 1.00 0.00 C ATOM 220 C SER A 14 5.954 -8.717 0.747 1.00 0.00 C ATOM 221 O SER A 14 4.976 -8.438 1.407 1.00 0.00 O ATOM 222 CB SER A 14 6.379 -10.998 -0.157 1.00 0.00 C ATOM 223 OG SER A 14 5.473 -11.640 0.730 1.00 0.00 O ATOM 0 H SER A 14 7.389 -9.623 -1.971 1.00 0.00 H new ATOM 0 HA SER A 14 4.822 -9.680 -0.817 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.488 -11.583 -1.070 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.367 -10.932 0.299 1.00 0.00 H new ATOM 0 HG SER A 14 5.804 -12.538 0.943 1.00 0.00 H new ATOM 229 N ASP A 15 7.137 -8.265 1.050 1.00 0.00 N ATOM 230 CA ASP A 15 7.326 -7.383 2.225 1.00 0.00 C ATOM 231 C ASP A 15 6.454 -6.141 2.067 1.00 0.00 C ATOM 232 O ASP A 15 5.829 -5.684 3.000 1.00 0.00 O ATOM 233 CB ASP A 15 8.787 -6.949 2.299 1.00 0.00 C ATOM 234 CG ASP A 15 9.391 -7.401 3.629 1.00 0.00 C ATOM 235 OD1 ASP A 15 9.616 -8.590 3.781 1.00 0.00 O ATOM 236 OD2 ASP A 15 9.617 -6.551 4.474 1.00 0.00 O ATOM 0 H ASP A 15 7.987 -8.473 0.526 1.00 0.00 H new ATOM 0 HA ASP A 15 7.050 -7.921 3.132 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.347 -7.380 1.469 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.860 -5.866 2.205 1.00 0.00 H new ATOM 241 N LEU A 16 6.417 -5.591 0.887 1.00 0.00 N ATOM 242 CA LEU A 16 5.593 -4.374 0.653 1.00 0.00 C ATOM 243 C LEU A 16 4.142 -4.690 0.984 1.00 0.00 C ATOM 244 O LEU A 16 3.527 -4.065 1.825 1.00 0.00 O ATOM 245 CB LEU A 16 5.705 -3.971 -0.817 1.00 0.00 C ATOM 246 CG LEU A 16 5.095 -2.587 -1.020 1.00 0.00 C ATOM 247 CD1 LEU A 16 5.853 -1.564 -0.170 1.00 0.00 C ATOM 248 CD2 LEU A 16 5.206 -2.203 -2.495 1.00 0.00 C ATOM 0 H LEU A 16 6.924 -5.933 0.071 1.00 0.00 H new ATOM 0 HA LEU A 16 5.944 -3.557 1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.751 -3.966 -1.124 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.192 -4.700 -1.444 1.00 0.00 H new ATOM 0 HG LEU A 16 4.047 -2.601 -0.720 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.417 -0.576 -0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.782 -1.841 0.882 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.901 -1.546 -0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.772 -1.215 -2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.255 -2.188 -2.789 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.670 -2.932 -3.102 1.00 0.00 H new ATOM 260 N HIS A 17 3.601 -5.672 0.332 1.00 0.00 N ATOM 261 CA HIS A 17 2.201 -6.069 0.594 1.00 0.00 C ATOM 262 C HIS A 17 2.097 -6.556 2.039 1.00 0.00 C ATOM 263 O HIS A 17 1.026 -6.644 2.607 1.00 0.00 O ATOM 264 CB HIS A 17 1.837 -7.185 -0.382 1.00 0.00 C ATOM 265 CG HIS A 17 2.229 -6.754 -1.769 1.00 0.00 C ATOM 266 ND1 HIS A 17 1.857 -5.523 -2.288 1.00 0.00 N ATOM 267 CD2 HIS A 17 2.970 -7.366 -2.750 1.00 0.00 C ATOM 268 CE1 HIS A 17 2.370 -5.433 -3.527 1.00 0.00 C ATOM 269 NE2 HIS A 17 3.057 -6.528 -3.860 1.00 0.00 N ATOM 0 H HIS A 17 4.078 -6.224 -0.381 1.00 0.00 H new ATOM 0 HA HIS A 17 1.516 -5.233 0.456 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.352 -8.107 -0.112 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.768 -7.393 -0.338 1.00 0.00 H new ATOM 0 HD1 HIS A 17 1.296 -4.814 -1.815 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.417 -8.346 -2.673 1.00 0.00 H new ATOM 0 HE1 HIS A 17 2.242 -4.578 -4.175 1.00 0.00 H new ATOM 277 N GLN A 18 3.216 -6.857 2.641 1.00 0.00 N ATOM 278 CA GLN A 18 3.211 -7.322 4.045 1.00 0.00 C ATOM 279 C GLN A 18 2.862 -6.146 4.954 1.00 0.00 C ATOM 280 O GLN A 18 1.942 -6.211 5.741 1.00 0.00 O ATOM 281 CB GLN A 18 4.595 -7.856 4.412 1.00 0.00 C ATOM 282 CG GLN A 18 4.449 -9.131 5.244 1.00 0.00 C ATOM 283 CD GLN A 18 5.188 -8.962 6.573 1.00 0.00 C ATOM 284 OE1 GLN A 18 5.455 -7.855 6.996 1.00 0.00 O ATOM 285 NE2 GLN A 18 5.531 -10.020 7.254 1.00 0.00 N ATOM 0 H GLN A 18 4.139 -6.798 2.210 1.00 0.00 H new ATOM 0 HA GLN A 18 2.475 -8.117 4.168 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.167 -8.063 3.508 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.149 -7.104 4.974 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.395 -9.340 5.426 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.853 -9.983 4.697 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.307 -10.950 6.899 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.023 -9.918 8.141 1.00 0.00 H new ATOM 294 N THR A 19 3.591 -5.066 4.847 1.00 0.00 N ATOM 295 CA THR A 19 3.298 -3.890 5.695 1.00 0.00 C ATOM 296 C THR A 19 1.912 -3.362 5.312 1.00 0.00 C ATOM 297 O THR A 19 1.116 -3.016 6.155 1.00 0.00 O ATOM 298 CB THR A 19 4.395 -2.819 5.490 1.00 0.00 C ATOM 299 OG1 THR A 19 5.057 -2.597 6.727 1.00 0.00 O ATOM 300 CG2 THR A 19 3.800 -1.490 5.008 1.00 0.00 C ATOM 0 H THR A 19 4.376 -4.955 4.206 1.00 0.00 H new ATOM 0 HA THR A 19 3.295 -4.158 6.752 1.00 0.00 H new ATOM 0 HB THR A 19 5.089 -3.182 4.732 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.756 -1.921 6.607 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.599 -0.761 4.875 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.287 -1.644 4.059 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.090 -1.119 5.748 1.00 0.00 H new ATOM 308 N LEU A 20 1.618 -3.314 4.042 1.00 0.00 N ATOM 309 CA LEU A 20 0.289 -2.834 3.604 1.00 0.00 C ATOM 310 C LEU A 20 -0.778 -3.733 4.228 1.00 0.00 C ATOM 311 O LEU A 20 -1.846 -3.303 4.586 1.00 0.00 O ATOM 312 CB LEU A 20 0.201 -2.933 2.083 1.00 0.00 C ATOM 313 CG LEU A 20 1.081 -1.862 1.432 1.00 0.00 C ATOM 314 CD1 LEU A 20 0.960 -1.967 -0.088 1.00 0.00 C ATOM 315 CD2 LEU A 20 0.624 -0.470 1.886 1.00 0.00 C ATOM 0 H LEU A 20 2.249 -3.589 3.289 1.00 0.00 H new ATOM 0 HA LEU A 20 0.138 -1.800 3.913 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.519 -3.923 1.757 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.833 -2.809 1.762 1.00 0.00 H new ATOM 0 HG LEU A 20 2.118 -2.014 1.730 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.585 -1.206 -0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.287 -2.955 -0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.079 -1.815 -0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.253 0.289 1.421 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.413 -0.313 1.590 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.707 -0.395 2.970 1.00 0.00 H new ATOM 327 N LYS A 21 -0.474 -4.988 4.345 1.00 0.00 N ATOM 328 CA LYS A 21 -1.437 -5.964 4.933 1.00 0.00 C ATOM 329 C LYS A 21 -1.587 -5.714 6.436 1.00 0.00 C ATOM 330 O LYS A 21 -2.666 -5.797 6.980 1.00 0.00 O ATOM 331 CB LYS A 21 -0.915 -7.385 4.709 1.00 0.00 C ATOM 332 CG LYS A 21 -1.973 -8.396 5.153 1.00 0.00 C ATOM 333 CD LYS A 21 -1.406 -9.269 6.275 1.00 0.00 C ATOM 334 CE LYS A 21 -1.415 -10.735 5.837 1.00 0.00 C ATOM 335 NZ LYS A 21 -2.155 -11.549 6.841 1.00 0.00 N ATOM 0 H LYS A 21 0.416 -5.392 4.054 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.407 -5.843 4.451 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.675 -7.533 3.656 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.007 -7.537 5.271 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.866 -7.876 5.499 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.273 -9.018 4.310 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.390 -8.957 6.515 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.999 -9.146 7.181 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.885 -10.830 4.858 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.394 -11.102 5.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.161 -12.546 6.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.688 -11.467 7.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.133 -11.204 6.915 1.00 0.00 H new ATOM 349 N LYS A 22 -0.518 -5.411 7.115 1.00 0.00 N ATOM 350 CA LYS A 22 -0.617 -5.159 8.573 1.00 0.00 C ATOM 351 C LYS A 22 -1.450 -3.902 8.795 1.00 0.00 C ATOM 352 O LYS A 22 -2.449 -3.907 9.486 1.00 0.00 O ATOM 353 CB LYS A 22 0.782 -4.943 9.145 1.00 0.00 C ATOM 354 CG LYS A 22 1.415 -6.296 9.476 1.00 0.00 C ATOM 355 CD LYS A 22 1.156 -6.637 10.945 1.00 0.00 C ATOM 356 CE LYS A 22 0.237 -7.857 11.032 1.00 0.00 C ATOM 357 NZ LYS A 22 1.005 -9.084 10.676 1.00 0.00 N ATOM 0 H LYS A 22 0.419 -5.327 6.721 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.084 -6.011 9.068 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.401 -4.407 8.426 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.728 -4.326 10.042 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.998 -7.071 8.833 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.487 -6.264 9.283 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.098 -6.841 11.453 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.698 -5.787 11.451 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.169 -7.949 12.039 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.610 -7.736 10.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.411 -9.923 10.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.285 -9.040 9.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.856 -9.146 11.271 1.00 0.00 H new ATOM 371 N GLU A 23 -1.037 -2.827 8.193 1.00 0.00 N ATOM 372 CA GLU A 23 -1.770 -1.552 8.322 1.00 0.00 C ATOM 373 C GLU A 23 -3.206 -1.761 7.854 1.00 0.00 C ATOM 374 O GLU A 23 -4.152 -1.668 8.612 1.00 0.00 O ATOM 375 CB GLU A 23 -1.084 -0.525 7.422 1.00 0.00 C ATOM 376 CG GLU A 23 0.296 -0.187 7.990 1.00 0.00 C ATOM 377 CD GLU A 23 0.143 0.745 9.194 1.00 0.00 C ATOM 378 OE1 GLU A 23 -0.967 0.868 9.685 1.00 0.00 O ATOM 379 OE2 GLU A 23 1.139 1.318 9.604 1.00 0.00 O ATOM 0 H GLU A 23 -0.204 -2.782 7.606 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.774 -1.206 9.356 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.986 -0.920 6.411 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.692 0.377 7.354 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.811 -1.100 8.288 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.908 0.289 7.224 1.00 0.00 H new ATOM 386 N LEU A 24 -3.356 -2.050 6.598 1.00 0.00 N ATOM 387 CA LEU A 24 -4.700 -2.285 6.015 1.00 0.00 C ATOM 388 C LEU A 24 -5.353 -3.498 6.680 1.00 0.00 C ATOM 389 O LEU A 24 -6.525 -3.760 6.495 1.00 0.00 O ATOM 390 CB LEU A 24 -4.526 -2.566 4.523 1.00 0.00 C ATOM 391 CG LEU A 24 -3.865 -1.364 3.849 1.00 0.00 C ATOM 392 CD1 LEU A 24 -2.897 -1.855 2.771 1.00 0.00 C ATOM 393 CD2 LEU A 24 -4.938 -0.481 3.208 1.00 0.00 C ATOM 0 H LEU A 24 -2.586 -2.135 5.935 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.333 -1.412 6.174 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.916 -3.458 4.379 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.495 -2.766 4.065 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.319 -0.785 4.594 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.425 -0.999 2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.132 -2.482 3.228 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.444 -2.434 2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.465 0.376 2.728 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.486 -1.058 2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.628 -0.131 3.976 1.00 0.00 H new ATOM 405 N ALA A 25 -4.606 -4.253 7.440 1.00 0.00 N ATOM 406 CA ALA A 25 -5.190 -5.452 8.093 1.00 0.00 C ATOM 407 C ALA A 25 -5.883 -6.304 7.030 1.00 0.00 C ATOM 408 O ALA A 25 -6.994 -6.763 7.205 1.00 0.00 O ATOM 409 CB ALA A 25 -6.192 -5.002 9.147 1.00 0.00 C ATOM 0 H ALA A 25 -3.618 -4.089 7.635 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.411 -6.044 8.573 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.627 -5.876 9.632 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.686 -4.388 9.891 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.982 -4.420 8.673 1.00 0.00 H new ATOM 415 N LEU A 26 -5.222 -6.510 5.925 1.00 0.00 N ATOM 416 CA LEU A 26 -5.809 -7.322 4.822 1.00 0.00 C ATOM 417 C LEU A 26 -6.041 -8.759 5.303 1.00 0.00 C ATOM 418 O LEU A 26 -5.476 -9.176 6.295 1.00 0.00 O ATOM 419 CB LEU A 26 -4.837 -7.317 3.639 1.00 0.00 C ATOM 420 CG LEU A 26 -4.489 -5.871 3.279 1.00 0.00 C ATOM 421 CD1 LEU A 26 -3.380 -5.852 2.231 1.00 0.00 C ATOM 422 CD2 LEU A 26 -5.730 -5.171 2.723 1.00 0.00 C ATOM 0 H LEU A 26 -4.288 -6.146 5.737 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.765 -6.898 4.515 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.932 -7.869 3.894 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.286 -7.820 2.782 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.147 -5.350 4.173 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.136 -4.820 1.978 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.494 -6.347 2.629 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.716 -6.375 1.336 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.482 -4.141 2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.074 -5.694 1.831 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.519 -5.178 3.475 1.00 0.00 H new ATOM 434 N PRO A 27 -6.875 -9.473 4.586 1.00 0.00 N ATOM 435 CA PRO A 27 -7.208 -10.869 4.924 1.00 0.00 C ATOM 436 C PRO A 27 -5.956 -11.746 4.911 1.00 0.00 C ATOM 437 O PRO A 27 -4.844 -11.264 4.838 1.00 0.00 O ATOM 438 CB PRO A 27 -8.172 -11.320 3.823 1.00 0.00 C ATOM 439 CG PRO A 27 -8.449 -10.101 2.907 1.00 0.00 C ATOM 440 CD PRO A 27 -7.552 -8.950 3.384 1.00 0.00 C ATOM 0 HA PRO A 27 -7.641 -10.951 5.921 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.739 -12.139 3.248 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.101 -11.691 4.257 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.236 -10.347 1.867 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.499 -9.814 2.958 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.832 -8.666 2.617 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.139 -8.061 3.616 1.00 0.00 H new ATOM 448 N GLU A 28 -6.137 -13.037 4.973 1.00 0.00 N ATOM 449 CA GLU A 28 -4.970 -13.958 4.955 1.00 0.00 C ATOM 450 C GLU A 28 -4.582 -14.241 3.505 1.00 0.00 C ATOM 451 O GLU A 28 -3.442 -14.534 3.203 1.00 0.00 O ATOM 452 CB GLU A 28 -5.342 -15.269 5.650 1.00 0.00 C ATOM 453 CG GLU A 28 -5.552 -15.014 7.143 1.00 0.00 C ATOM 454 CD GLU A 28 -7.048 -14.886 7.434 1.00 0.00 C ATOM 455 OE1 GLU A 28 -7.824 -15.505 6.726 1.00 0.00 O ATOM 456 OE2 GLU A 28 -7.392 -14.171 8.361 1.00 0.00 O ATOM 0 H GLU A 28 -7.047 -13.493 5.036 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.131 -13.500 5.478 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.250 -15.681 5.210 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.553 -16.007 5.504 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.126 -15.831 7.726 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.033 -14.104 7.444 1.00 0.00 H new ATOM 463 N TYR A 29 -5.521 -14.152 2.601 1.00 0.00 N ATOM 464 CA TYR A 29 -5.195 -14.412 1.171 1.00 0.00 C ATOM 465 C TYR A 29 -4.906 -13.087 0.463 1.00 0.00 C ATOM 466 O TYR A 29 -4.981 -12.994 -0.746 1.00 0.00 O ATOM 467 CB TYR A 29 -6.361 -15.126 0.474 1.00 0.00 C ATOM 468 CG TYR A 29 -7.680 -14.698 1.073 1.00 0.00 C ATOM 469 CD1 TYR A 29 -7.999 -13.339 1.175 1.00 0.00 C ATOM 470 CD2 TYR A 29 -8.589 -15.665 1.520 1.00 0.00 C ATOM 471 CE1 TYR A 29 -9.227 -12.948 1.725 1.00 0.00 C ATOM 472 CE2 TYR A 29 -9.816 -15.274 2.068 1.00 0.00 C ATOM 473 CZ TYR A 29 -10.135 -13.915 2.172 1.00 0.00 C ATOM 474 OH TYR A 29 -11.344 -13.530 2.712 1.00 0.00 O ATOM 0 H TYR A 29 -6.494 -13.912 2.790 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.315 -15.053 1.123 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.349 -14.899 -0.592 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.244 -16.205 0.571 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.299 -12.592 0.830 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.343 -16.714 1.442 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -9.473 -11.899 1.804 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.517 -16.021 2.411 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.855 -14.325 2.970 1.00 0.00 H new ATOM 484 N TYR A 30 -4.568 -12.063 1.209 1.00 0.00 N ATOM 485 CA TYR A 30 -4.258 -10.741 0.583 1.00 0.00 C ATOM 486 C TYR A 30 -3.459 -10.973 -0.703 1.00 0.00 C ATOM 487 O TYR A 30 -2.271 -11.212 -0.671 1.00 0.00 O ATOM 488 CB TYR A 30 -3.432 -9.898 1.564 1.00 0.00 C ATOM 489 CG TYR A 30 -2.910 -8.658 0.870 1.00 0.00 C ATOM 490 CD1 TYR A 30 -3.616 -8.105 -0.204 1.00 0.00 C ATOM 491 CD2 TYR A 30 -1.716 -8.062 1.305 1.00 0.00 C ATOM 492 CE1 TYR A 30 -3.129 -6.959 -0.845 1.00 0.00 C ATOM 493 CE2 TYR A 30 -1.228 -6.914 0.663 1.00 0.00 C ATOM 494 CZ TYR A 30 -1.936 -6.365 -0.413 1.00 0.00 C ATOM 495 OH TYR A 30 -1.459 -5.236 -1.047 1.00 0.00 O ATOM 0 H TYR A 30 -4.494 -12.087 2.226 1.00 0.00 H new ATOM 0 HA TYR A 30 -5.182 -10.214 0.346 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.046 -9.615 2.419 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.600 -10.486 1.950 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.536 -8.562 -0.538 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.172 -8.488 2.135 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.674 -6.532 -1.674 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.309 -6.455 0.998 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.001 -5.494 -1.874 1.00 0.00 H new ATOM 505 N GLY A 31 -4.113 -10.922 -1.832 1.00 0.00 N ATOM 506 CA GLY A 31 -3.407 -11.157 -3.127 1.00 0.00 C ATOM 507 C GLY A 31 -2.040 -10.468 -3.122 1.00 0.00 C ATOM 508 O GLY A 31 -1.064 -11.017 -3.592 1.00 0.00 O ATOM 0 H GLY A 31 -5.111 -10.727 -1.915 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.281 -12.227 -3.291 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -4.010 -10.777 -3.952 1.00 0.00 H new ATOM 512 N GLU A 32 -1.971 -9.266 -2.610 1.00 0.00 N ATOM 513 CA GLU A 32 -0.675 -8.519 -2.579 1.00 0.00 C ATOM 514 C GLU A 32 -0.449 -7.819 -3.921 1.00 0.00 C ATOM 515 O GLU A 32 0.365 -6.927 -4.034 1.00 0.00 O ATOM 516 CB GLU A 32 0.491 -9.477 -2.306 1.00 0.00 C ATOM 517 CG GLU A 32 0.108 -10.454 -1.194 1.00 0.00 C ATOM 518 CD GLU A 32 1.371 -10.921 -0.468 1.00 0.00 C ATOM 519 OE1 GLU A 32 2.328 -10.166 -0.440 1.00 0.00 O ATOM 520 OE2 GLU A 32 1.359 -12.027 0.048 1.00 0.00 O ATOM 0 H GLU A 32 -2.763 -8.765 -2.208 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.721 -7.779 -1.780 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.743 -10.025 -3.214 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.378 -8.913 -2.017 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.572 -9.973 -0.491 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.421 -11.310 -1.613 1.00 0.00 H new ATOM 527 N ASN A 33 -1.161 -8.210 -4.941 1.00 0.00 N ATOM 528 CA ASN A 33 -0.974 -7.551 -6.271 1.00 0.00 C ATOM 529 C ASN A 33 -1.760 -6.240 -6.311 1.00 0.00 C ATOM 530 O ASN A 33 -2.284 -5.783 -5.316 1.00 0.00 O ATOM 531 CB ASN A 33 -1.452 -8.459 -7.421 1.00 0.00 C ATOM 532 CG ASN A 33 -1.982 -9.794 -6.888 1.00 0.00 C ATOM 533 OD1 ASN A 33 -1.225 -10.612 -6.404 1.00 0.00 O ATOM 534 ND2 ASN A 33 -3.260 -10.049 -6.958 1.00 0.00 N ATOM 0 H ASN A 33 -1.861 -8.952 -4.916 1.00 0.00 H new ATOM 0 HA ASN A 33 0.091 -7.358 -6.402 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.235 -7.953 -7.986 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.628 -8.641 -8.111 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.623 -10.935 -6.606 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -3.896 -9.362 -7.364 1.00 0.00 H new ATOM 541 N LEU A 34 -1.850 -5.640 -7.465 1.00 0.00 N ATOM 542 CA LEU A 34 -2.607 -4.364 -7.601 1.00 0.00 C ATOM 543 C LEU A 34 -4.098 -4.675 -7.608 1.00 0.00 C ATOM 544 O LEU A 34 -4.904 -3.975 -7.038 1.00 0.00 O ATOM 545 CB LEU A 34 -2.249 -3.723 -8.933 1.00 0.00 C ATOM 546 CG LEU A 34 -0.759 -3.392 -8.964 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.340 -3.061 -10.397 1.00 0.00 C ATOM 548 CD2 LEU A 34 -0.488 -2.188 -8.060 1.00 0.00 C ATOM 0 H LEU A 34 -1.427 -5.982 -8.328 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.361 -3.696 -6.776 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.498 -4.399 -9.751 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.835 -2.816 -9.080 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.187 -4.249 -8.609 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.724 -2.825 -10.420 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.535 -3.919 -11.040 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.910 -2.203 -10.754 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.575 -1.950 -8.080 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.059 -1.330 -8.415 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.787 -2.425 -7.039 1.00 0.00 H new ATOM 560 N ASP A 35 -4.452 -5.722 -8.278 1.00 0.00 N ATOM 561 CA ASP A 35 -5.876 -6.133 -8.373 1.00 0.00 C ATOM 562 C ASP A 35 -6.403 -6.523 -6.994 1.00 0.00 C ATOM 563 O ASP A 35 -7.539 -6.258 -6.654 1.00 0.00 O ATOM 564 CB ASP A 35 -5.960 -7.351 -9.279 1.00 0.00 C ATOM 565 CG ASP A 35 -5.738 -6.931 -10.733 1.00 0.00 C ATOM 566 OD1 ASP A 35 -5.014 -5.973 -10.949 1.00 0.00 O ATOM 567 OD2 ASP A 35 -6.297 -7.574 -11.607 1.00 0.00 O ATOM 0 H ASP A 35 -3.802 -6.328 -8.778 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.468 -5.307 -8.766 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.211 -8.087 -8.985 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.934 -7.828 -9.173 1.00 0.00 H new ATOM 572 N ALA A 36 -5.588 -7.157 -6.200 1.00 0.00 N ATOM 573 CA ALA A 36 -6.050 -7.572 -4.845 1.00 0.00 C ATOM 574 C ALA A 36 -5.967 -6.375 -3.920 1.00 0.00 C ATOM 575 O ALA A 36 -6.939 -5.968 -3.317 1.00 0.00 O ATOM 576 CB ALA A 36 -5.157 -8.681 -4.300 1.00 0.00 C ATOM 0 H ALA A 36 -4.625 -7.406 -6.428 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.074 -7.940 -4.909 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.505 -8.975 -3.310 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.196 -9.541 -4.968 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.130 -8.321 -4.231 1.00 0.00 H new ATOM 582 N LEU A 37 -4.807 -5.800 -3.828 1.00 0.00 N ATOM 583 CA LEU A 37 -4.629 -4.603 -2.970 1.00 0.00 C ATOM 584 C LEU A 37 -5.818 -3.680 -3.213 1.00 0.00 C ATOM 585 O LEU A 37 -6.498 -3.235 -2.303 1.00 0.00 O ATOM 586 CB LEU A 37 -3.334 -3.903 -3.385 1.00 0.00 C ATOM 587 CG LEU A 37 -3.365 -2.441 -2.932 1.00 0.00 C ATOM 588 CD1 LEU A 37 -3.335 -2.376 -1.404 1.00 0.00 C ATOM 589 CD2 LEU A 37 -2.148 -1.705 -3.498 1.00 0.00 C ATOM 0 H LEU A 37 -3.966 -6.111 -4.315 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.573 -4.871 -1.915 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.477 -4.412 -2.943 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.212 -3.955 -4.467 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.278 -1.969 -3.296 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.357 -1.334 -1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.202 -2.898 -1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.424 -2.849 -1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.170 -0.664 -3.176 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.236 -2.178 -3.135 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.171 -1.748 -4.587 1.00 0.00 H new ATOM 601 N TRP A 38 -6.070 -3.409 -4.456 1.00 0.00 N ATOM 602 CA TRP A 38 -7.203 -2.544 -4.814 1.00 0.00 C ATOM 603 C TRP A 38 -8.468 -3.169 -4.283 1.00 0.00 C ATOM 604 O TRP A 38 -9.202 -2.574 -3.529 1.00 0.00 O ATOM 605 CB TRP A 38 -7.334 -2.446 -6.327 1.00 0.00 C ATOM 606 CG TRP A 38 -8.500 -1.576 -6.618 1.00 0.00 C ATOM 607 CD1 TRP A 38 -9.771 -2.000 -6.687 1.00 0.00 C ATOM 608 CD2 TRP A 38 -8.527 -0.148 -6.835 1.00 0.00 C ATOM 609 NE1 TRP A 38 -10.591 -0.915 -6.948 1.00 0.00 N ATOM 610 CE2 TRP A 38 -9.862 0.254 -7.049 1.00 0.00 C ATOM 611 CE3 TRP A 38 -7.527 0.823 -6.871 1.00 0.00 C ATOM 612 CZ2 TRP A 38 -10.188 1.589 -7.288 1.00 0.00 C ATOM 613 CZ3 TRP A 38 -7.837 2.156 -7.106 1.00 0.00 C ATOM 614 CH2 TRP A 38 -9.168 2.549 -7.314 1.00 0.00 C ATOM 0 H TRP A 38 -5.528 -3.758 -5.246 1.00 0.00 H new ATOM 0 HA TRP A 38 -7.040 -1.552 -4.393 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.426 -2.030 -6.764 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -7.474 -3.434 -6.765 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -10.101 -3.021 -6.560 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -11.604 -0.972 -7.052 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -6.498 0.535 -6.714 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -11.215 1.879 -7.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -7.049 2.894 -7.129 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -9.405 3.587 -7.493 1.00 0.00 H new ATOM 625 N ASP A 39 -8.716 -4.381 -4.673 1.00 0.00 N ATOM 626 CA ASP A 39 -9.933 -5.081 -4.197 1.00 0.00 C ATOM 627 C ASP A 39 -10.094 -4.803 -2.705 1.00 0.00 C ATOM 628 O ASP A 39 -11.184 -4.820 -2.169 1.00 0.00 O ATOM 629 CB ASP A 39 -9.789 -6.584 -4.431 1.00 0.00 C ATOM 630 CG ASP A 39 -10.611 -6.992 -5.655 1.00 0.00 C ATOM 631 OD1 ASP A 39 -11.270 -6.131 -6.215 1.00 0.00 O ATOM 632 OD2 ASP A 39 -10.567 -8.158 -6.011 1.00 0.00 O ATOM 0 H ASP A 39 -8.125 -4.921 -5.305 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.808 -4.725 -4.741 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.740 -6.840 -4.582 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.128 -7.133 -3.553 1.00 0.00 H new ATOM 637 N CYS A 40 -9.006 -4.535 -2.035 1.00 0.00 N ATOM 638 CA CYS A 40 -9.079 -4.242 -0.586 1.00 0.00 C ATOM 639 C CYS A 40 -9.511 -2.786 -0.372 1.00 0.00 C ATOM 640 O CYS A 40 -10.418 -2.509 0.384 1.00 0.00 O ATOM 641 CB CYS A 40 -7.701 -4.459 0.035 1.00 0.00 C ATOM 642 SG CYS A 40 -7.001 -6.013 -0.576 1.00 0.00 S ATOM 0 H CYS A 40 -8.068 -4.508 -2.436 1.00 0.00 H new ATOM 0 HA CYS A 40 -9.807 -4.904 -0.116 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -7.042 -3.628 -0.216 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -7.780 -4.486 1.122 1.00 0.00 H new ATOM 0 HG CYS A 40 -7.108 -6.058 -1.871 1.00 0.00 H new ATOM 648 N LEU A 41 -8.865 -1.850 -1.020 1.00 0.00 N ATOM 649 CA LEU A 41 -9.235 -0.426 -0.827 1.00 0.00 C ATOM 650 C LEU A 41 -10.705 -0.187 -1.197 1.00 0.00 C ATOM 651 O LEU A 41 -11.416 0.525 -0.516 1.00 0.00 O ATOM 652 CB LEU A 41 -8.346 0.447 -1.712 1.00 0.00 C ATOM 653 CG LEU A 41 -6.875 0.055 -1.535 1.00 0.00 C ATOM 654 CD1 LEU A 41 -6.020 0.902 -2.468 1.00 0.00 C ATOM 655 CD2 LEU A 41 -6.442 0.298 -0.087 1.00 0.00 C ATOM 0 H LEU A 41 -8.099 -2.016 -1.673 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.095 -0.169 0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.637 0.334 -2.756 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.484 1.497 -1.455 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.749 -1.001 -1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.971 0.629 -2.348 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.325 0.727 -3.500 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.151 1.956 -2.225 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.395 0.017 0.032 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.565 1.353 0.157 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.057 -0.303 0.582 1.00 0.00 H new ATOM 667 N THR A 42 -11.157 -0.750 -2.282 1.00 0.00 N ATOM 668 CA THR A 42 -12.557 -0.533 -2.713 1.00 0.00 C ATOM 669 C THR A 42 -13.484 -1.602 -2.126 1.00 0.00 C ATOM 670 O THR A 42 -14.603 -1.764 -2.571 1.00 0.00 O ATOM 671 CB THR A 42 -12.627 -0.587 -4.241 1.00 0.00 C ATOM 672 OG1 THR A 42 -12.001 -1.777 -4.700 1.00 0.00 O ATOM 673 CG2 THR A 42 -11.909 0.629 -4.830 1.00 0.00 C ATOM 0 H THR A 42 -10.608 -1.356 -2.891 1.00 0.00 H new ATOM 0 HA THR A 42 -12.884 0.443 -2.354 1.00 0.00 H new ATOM 0 HB THR A 42 -13.670 -0.579 -4.558 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.204 -1.547 -5.222 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.959 0.590 -5.918 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.390 1.541 -4.477 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.866 0.623 -4.515 1.00 0.00 H new ATOM 681 N GLY A 43 -13.048 -2.336 -1.137 1.00 0.00 N ATOM 682 CA GLY A 43 -13.950 -3.378 -0.563 1.00 0.00 C ATOM 683 C GLY A 43 -13.278 -4.108 0.604 1.00 0.00 C ATOM 684 O GLY A 43 -13.254 -5.322 0.649 1.00 0.00 O ATOM 0 H GLY A 43 -12.125 -2.263 -0.708 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -14.875 -2.914 -0.221 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -14.220 -4.096 -1.337 1.00 0.00 H new ATOM 688 N TRP A 44 -12.742 -3.392 1.555 1.00 0.00 N ATOM 689 CA TRP A 44 -12.094 -4.072 2.708 1.00 0.00 C ATOM 690 C TRP A 44 -11.545 -3.028 3.681 1.00 0.00 C ATOM 691 O TRP A 44 -12.031 -2.872 4.783 1.00 0.00 O ATOM 692 CB TRP A 44 -10.953 -4.948 2.196 1.00 0.00 C ATOM 693 CG TRP A 44 -10.351 -5.694 3.340 1.00 0.00 C ATOM 694 CD1 TRP A 44 -9.310 -5.258 4.083 1.00 0.00 C ATOM 695 CD2 TRP A 44 -10.731 -6.991 3.885 1.00 0.00 C ATOM 696 NE1 TRP A 44 -9.023 -6.206 5.048 1.00 0.00 N ATOM 697 CE2 TRP A 44 -9.873 -7.292 4.968 1.00 0.00 C ATOM 698 CE3 TRP A 44 -11.727 -7.925 3.548 1.00 0.00 C ATOM 699 CZ2 TRP A 44 -9.997 -8.478 5.692 1.00 0.00 C ATOM 700 CZ3 TRP A 44 -11.855 -9.121 4.274 1.00 0.00 C ATOM 701 CH2 TRP A 44 -10.992 -9.396 5.344 1.00 0.00 C ATOM 0 H TRP A 44 -12.725 -2.372 1.582 1.00 0.00 H new ATOM 0 HA TRP A 44 -12.827 -4.691 3.226 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -11.324 -5.647 1.446 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -10.196 -4.332 1.710 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -8.788 -4.323 3.946 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -8.275 -6.115 5.735 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -12.398 -7.722 2.726 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -9.329 -8.685 6.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -12.622 -9.832 4.006 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -11.096 -10.317 5.899 1.00 0.00 H new ATOM 712 N VAL A 45 -10.530 -2.319 3.281 1.00 0.00 N ATOM 713 CA VAL A 45 -9.933 -1.290 4.169 1.00 0.00 C ATOM 714 C VAL A 45 -11.000 -0.274 4.579 1.00 0.00 C ATOM 715 O VAL A 45 -12.014 -0.125 3.926 1.00 0.00 O ATOM 716 CB VAL A 45 -8.809 -0.571 3.422 1.00 0.00 C ATOM 717 CG1 VAL A 45 -8.031 0.315 4.397 1.00 0.00 C ATOM 718 CG2 VAL A 45 -7.866 -1.606 2.807 1.00 0.00 C ATOM 0 H VAL A 45 -10.085 -2.410 2.368 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.535 -1.772 5.062 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.235 0.049 2.633 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.230 0.827 3.864 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.704 1.052 4.835 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.604 -0.302 5.188 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.064 -1.096 2.274 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.440 -2.225 3.597 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.421 -2.236 2.111 1.00 0.00 H new ATOM 728 N GLU A 46 -10.775 0.434 5.652 1.00 0.00 N ATOM 729 CA GLU A 46 -11.770 1.448 6.098 1.00 0.00 C ATOM 730 C GLU A 46 -11.191 2.847 5.880 1.00 0.00 C ATOM 731 O GLU A 46 -10.053 3.118 6.206 1.00 0.00 O ATOM 732 CB GLU A 46 -12.084 1.245 7.581 1.00 0.00 C ATOM 733 CG GLU A 46 -10.807 1.413 8.405 1.00 0.00 C ATOM 734 CD GLU A 46 -11.083 1.023 9.858 1.00 0.00 C ATOM 735 OE1 GLU A 46 -12.218 1.167 10.283 1.00 0.00 O ATOM 736 OE2 GLU A 46 -10.157 0.588 10.521 1.00 0.00 O ATOM 0 H GLU A 46 -9.945 0.353 6.239 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.689 1.338 5.522 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.835 1.965 7.906 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.504 0.252 7.741 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.012 0.790 7.995 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.461 2.446 8.354 1.00 0.00 H new ATOM 743 N TYR A 47 -11.965 3.733 5.320 1.00 0.00 N ATOM 744 CA TYR A 47 -11.467 5.113 5.065 1.00 0.00 C ATOM 745 C TYR A 47 -12.281 6.100 5.913 1.00 0.00 C ATOM 746 O TYR A 47 -13.284 5.718 6.482 1.00 0.00 O ATOM 747 CB TYR A 47 -11.631 5.410 3.570 1.00 0.00 C ATOM 748 CG TYR A 47 -10.651 4.571 2.770 1.00 0.00 C ATOM 749 CD1 TYR A 47 -9.554 3.957 3.396 1.00 0.00 C ATOM 750 CD2 TYR A 47 -10.842 4.407 1.395 1.00 0.00 C ATOM 751 CE1 TYR A 47 -8.662 3.186 2.646 1.00 0.00 C ATOM 752 CE2 TYR A 47 -9.945 3.637 0.651 1.00 0.00 C ATOM 753 CZ TYR A 47 -8.856 3.028 1.275 1.00 0.00 C ATOM 754 OH TYR A 47 -7.974 2.268 0.538 1.00 0.00 O ATOM 0 H TYR A 47 -12.926 3.560 5.026 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.416 5.210 5.337 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -12.652 5.192 3.256 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.458 6.469 3.379 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.400 4.081 4.458 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.684 4.876 0.907 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.821 2.712 3.130 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.095 3.513 -0.411 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.065 2.614 0.657 1.00 0.00 H new ATOM 764 N PRO A 48 -11.836 7.339 6.000 1.00 0.00 N ATOM 765 CA PRO A 48 -10.616 7.847 5.321 1.00 0.00 C ATOM 766 C PRO A 48 -9.351 7.109 5.774 1.00 0.00 C ATOM 767 O PRO A 48 -9.178 6.797 6.936 1.00 0.00 O ATOM 768 CB PRO A 48 -10.529 9.324 5.733 1.00 0.00 C ATOM 769 CG PRO A 48 -11.728 9.631 6.662 1.00 0.00 C ATOM 770 CD PRO A 48 -12.548 8.343 6.810 1.00 0.00 C ATOM 0 HA PRO A 48 -10.680 7.701 4.243 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.588 9.522 6.247 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.553 9.967 4.853 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -11.379 9.975 7.635 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.342 10.429 6.243 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.612 8.034 7.853 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -13.569 8.483 6.456 1.00 0.00 H new ATOM 778 N LEU A 49 -8.462 6.839 4.853 1.00 0.00 N ATOM 779 CA LEU A 49 -7.195 6.134 5.204 1.00 0.00 C ATOM 780 C LEU A 49 -6.019 7.052 4.890 1.00 0.00 C ATOM 781 O LEU A 49 -6.105 7.916 4.049 1.00 0.00 O ATOM 782 CB LEU A 49 -7.068 4.855 4.349 1.00 0.00 C ATOM 783 CG LEU A 49 -5.589 4.464 4.147 1.00 0.00 C ATOM 784 CD1 LEU A 49 -5.016 3.893 5.445 1.00 0.00 C ATOM 785 CD2 LEU A 49 -5.475 3.415 3.035 1.00 0.00 C ATOM 0 H LEU A 49 -8.561 7.079 3.867 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.200 5.872 6.262 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.601 4.036 4.833 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.541 5.014 3.380 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.025 5.354 3.866 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.972 3.620 5.293 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.084 4.643 6.233 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.584 3.009 5.735 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.428 3.143 2.897 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.047 2.529 3.311 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.869 3.826 2.105 1.00 0.00 H new ATOM 797 N VAL A 50 -4.906 6.831 5.520 1.00 0.00 N ATOM 798 CA VAL A 50 -3.710 7.650 5.206 1.00 0.00 C ATOM 799 C VAL A 50 -2.620 6.693 4.718 1.00 0.00 C ATOM 800 O VAL A 50 -2.417 5.639 5.282 1.00 0.00 O ATOM 801 CB VAL A 50 -3.242 8.425 6.462 1.00 0.00 C ATOM 802 CG1 VAL A 50 -1.801 8.051 6.841 1.00 0.00 C ATOM 803 CG2 VAL A 50 -3.288 9.924 6.173 1.00 0.00 C ATOM 0 H VAL A 50 -4.772 6.119 6.238 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.937 8.389 4.438 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.905 8.165 7.287 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.501 8.611 7.726 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.746 6.983 7.051 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.133 8.293 6.015 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.959 10.475 7.054 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.629 10.153 5.335 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.308 10.215 5.923 1.00 0.00 H new ATOM 813 N LEU A 51 -1.899 7.053 3.703 1.00 0.00 N ATOM 814 CA LEU A 51 -0.811 6.154 3.243 1.00 0.00 C ATOM 815 C LEU A 51 0.502 6.895 3.410 1.00 0.00 C ATOM 816 O LEU A 51 1.011 7.506 2.491 1.00 0.00 O ATOM 817 CB LEU A 51 -0.989 5.743 1.778 1.00 0.00 C ATOM 818 CG LEU A 51 0.185 4.840 1.388 1.00 0.00 C ATOM 819 CD1 LEU A 51 0.112 3.539 2.177 1.00 0.00 C ATOM 820 CD2 LEU A 51 0.124 4.499 -0.094 1.00 0.00 C ATOM 0 H LEU A 51 -2.011 7.919 3.176 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.829 5.240 3.837 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.934 5.217 1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.020 6.624 1.137 1.00 0.00 H new ATOM 0 HG LEU A 51 1.112 5.370 1.606 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.948 2.897 1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.162 3.757 3.244 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.826 3.030 1.954 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.965 3.857 -0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.810 3.979 -0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.173 5.416 -0.681 1.00 0.00 H new ATOM 832 N GLU A 52 1.046 6.856 4.588 1.00 0.00 N ATOM 833 CA GLU A 52 2.319 7.565 4.836 1.00 0.00 C ATOM 834 C GLU A 52 3.465 6.723 4.282 1.00 0.00 C ATOM 835 O GLU A 52 4.101 5.959 4.988 1.00 0.00 O ATOM 836 CB GLU A 52 2.491 7.782 6.340 1.00 0.00 C ATOM 837 CG GLU A 52 3.918 8.256 6.631 1.00 0.00 C ATOM 838 CD GLU A 52 3.879 9.589 7.382 1.00 0.00 C ATOM 839 OE1 GLU A 52 2.790 10.087 7.616 1.00 0.00 O ATOM 840 OE2 GLU A 52 4.941 10.091 7.711 1.00 0.00 O ATOM 0 H GLU A 52 0.660 6.361 5.392 1.00 0.00 H new ATOM 0 HA GLU A 52 2.317 8.536 4.342 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.772 8.520 6.696 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.288 6.855 6.877 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.445 7.509 7.225 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.470 8.370 5.698 1.00 0.00 H new ATOM 847 N TRP A 53 3.729 6.860 3.013 1.00 0.00 N ATOM 848 CA TRP A 53 4.831 6.083 2.401 1.00 0.00 C ATOM 849 C TRP A 53 6.152 6.769 2.761 1.00 0.00 C ATOM 850 O TRP A 53 6.299 7.963 2.590 1.00 0.00 O ATOM 851 CB TRP A 53 4.658 6.047 0.883 1.00 0.00 C ATOM 852 CG TRP A 53 5.149 4.732 0.377 1.00 0.00 C ATOM 853 CD1 TRP A 53 6.388 4.238 0.599 1.00 0.00 C ATOM 854 CD2 TRP A 53 4.444 3.732 -0.419 1.00 0.00 C ATOM 855 NE1 TRP A 53 6.491 3.002 -0.008 1.00 0.00 N ATOM 856 CE2 TRP A 53 5.323 2.649 -0.647 1.00 0.00 C ATOM 857 CE3 TRP A 53 3.144 3.657 -0.962 1.00 0.00 C ATOM 858 CZ2 TRP A 53 4.936 1.536 -1.381 1.00 0.00 C ATOM 859 CZ3 TRP A 53 2.751 2.529 -1.709 1.00 0.00 C ATOM 860 CH2 TRP A 53 3.649 1.472 -1.916 1.00 0.00 C ATOM 0 H TRP A 53 3.226 7.478 2.376 1.00 0.00 H new ATOM 0 HA TRP A 53 4.825 5.059 2.773 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.610 6.186 0.619 1.00 0.00 H new ATOM 0 HB3 TRP A 53 5.214 6.862 0.420 1.00 0.00 H new ATOM 0 HD1 TRP A 53 7.169 4.730 1.159 1.00 0.00 H new ATOM 0 HE1 TRP A 53 7.329 2.421 0.014 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.448 4.467 -0.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 5.629 0.722 -1.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.755 2.478 -2.124 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.345 0.609 -2.489 1.00 0.00 H new ATOM 871 N ARG A 54 7.106 6.045 3.275 1.00 0.00 N ATOM 872 CA ARG A 54 8.393 6.695 3.656 1.00 0.00 C ATOM 873 C ARG A 54 9.357 6.689 2.467 1.00 0.00 C ATOM 874 O ARG A 54 9.481 7.667 1.757 1.00 0.00 O ATOM 875 CB ARG A 54 9.017 5.944 4.837 1.00 0.00 C ATOM 876 CG ARG A 54 10.267 6.689 5.311 1.00 0.00 C ATOM 877 CD ARG A 54 9.929 8.166 5.525 1.00 0.00 C ATOM 878 NE ARG A 54 11.087 8.860 6.160 1.00 0.00 N ATOM 879 CZ ARG A 54 11.811 8.244 7.055 1.00 0.00 C ATOM 880 NH1 ARG A 54 11.235 7.650 8.065 1.00 0.00 N ATOM 881 NH2 ARG A 54 13.111 8.224 6.941 1.00 0.00 N ATOM 0 H ARG A 54 7.053 5.041 3.447 1.00 0.00 H new ATOM 0 HA ARG A 54 8.200 7.728 3.946 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.298 5.864 5.652 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.277 4.928 4.540 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.635 6.251 6.239 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.064 6.590 4.574 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.689 8.636 4.571 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.046 8.259 6.157 1.00 0.00 H new ATOM 0 HE ARG A 54 11.314 9.818 5.894 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.219 7.667 8.155 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.801 7.169 8.764 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.561 8.690 6.153 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.677 7.743 7.640 1.00 0.00 H new ATOM 895 N GLN A 55 10.044 5.604 2.241 1.00 0.00 N ATOM 896 CA GLN A 55 10.996 5.556 1.097 1.00 0.00 C ATOM 897 C GLN A 55 10.215 5.597 -0.218 1.00 0.00 C ATOM 898 O GLN A 55 10.235 6.578 -0.934 1.00 0.00 O ATOM 899 CB GLN A 55 11.810 4.263 1.170 1.00 0.00 C ATOM 900 CG GLN A 55 13.205 4.568 1.720 1.00 0.00 C ATOM 901 CD GLN A 55 13.079 5.269 3.074 1.00 0.00 C ATOM 902 OE1 GLN A 55 12.916 4.625 4.091 1.00 0.00 O ATOM 903 NE2 GLN A 55 13.149 6.571 3.130 1.00 0.00 N ATOM 0 H GLN A 55 9.988 4.751 2.797 1.00 0.00 H new ATOM 0 HA GLN A 55 11.669 6.412 1.144 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.306 3.539 1.810 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.888 3.814 0.180 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.774 3.645 1.828 1.00 0.00 H new ATOM 0 HG3 GLN A 55 13.753 5.200 1.021 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.286 7.112 2.276 1.00 0.00 H new ATOM 0 HE22 GLN A 55 13.067 7.048 4.028 1.00 0.00 H new ATOM 912 N PHE A 56 9.526 4.538 -0.538 1.00 0.00 N ATOM 913 CA PHE A 56 8.739 4.503 -1.803 1.00 0.00 C ATOM 914 C PHE A 56 9.686 4.277 -2.988 1.00 0.00 C ATOM 915 O PHE A 56 9.789 3.182 -3.504 1.00 0.00 O ATOM 916 CB PHE A 56 7.982 5.824 -1.980 1.00 0.00 C ATOM 917 CG PHE A 56 6.856 5.659 -2.982 1.00 0.00 C ATOM 918 CD1 PHE A 56 6.582 4.406 -3.558 1.00 0.00 C ATOM 919 CD2 PHE A 56 6.079 6.769 -3.332 1.00 0.00 C ATOM 920 CE1 PHE A 56 5.535 4.272 -4.476 1.00 0.00 C ATOM 921 CE2 PHE A 56 5.034 6.632 -4.252 1.00 0.00 C ATOM 922 CZ PHE A 56 4.762 5.384 -4.824 1.00 0.00 C ATOM 0 H PHE A 56 9.474 3.690 0.026 1.00 0.00 H new ATOM 0 HA PHE A 56 8.018 3.687 -1.760 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.579 6.151 -1.021 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.668 6.601 -2.319 1.00 0.00 H new ATOM 0 HD1 PHE A 56 7.180 3.547 -3.292 1.00 0.00 H new ATOM 0 HD2 PHE A 56 6.286 7.733 -2.891 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.324 3.309 -4.916 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.436 7.490 -4.521 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.955 5.280 -5.534 1.00 0.00 H new ATOM 932 N GLU A 57 10.391 5.293 -3.419 1.00 0.00 N ATOM 933 CA GLU A 57 11.334 5.102 -4.558 1.00 0.00 C ATOM 934 C GLU A 57 12.359 4.050 -4.154 1.00 0.00 C ATOM 935 O GLU A 57 12.688 3.161 -4.913 1.00 0.00 O ATOM 936 CB GLU A 57 12.050 6.412 -4.867 1.00 0.00 C ATOM 937 CG GLU A 57 11.216 7.235 -5.852 1.00 0.00 C ATOM 938 CD GLU A 57 9.906 7.658 -5.184 1.00 0.00 C ATOM 939 OE1 GLU A 57 9.971 8.365 -4.192 1.00 0.00 O ATOM 940 OE2 GLU A 57 8.860 7.269 -5.677 1.00 0.00 O ATOM 0 H GLU A 57 10.354 6.237 -3.034 1.00 0.00 H new ATOM 0 HA GLU A 57 10.787 4.783 -5.445 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.208 6.977 -3.948 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.034 6.209 -5.289 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.774 8.115 -6.171 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.007 6.648 -6.747 1.00 0.00 H new ATOM 947 N GLN A 58 12.846 4.135 -2.948 1.00 0.00 N ATOM 948 CA GLN A 58 13.814 3.133 -2.464 1.00 0.00 C ATOM 949 C GLN A 58 13.043 1.838 -2.237 1.00 0.00 C ATOM 950 O GLN A 58 13.599 0.760 -2.220 1.00 0.00 O ATOM 951 CB GLN A 58 14.440 3.607 -1.152 1.00 0.00 C ATOM 952 CG GLN A 58 15.216 4.903 -1.394 1.00 0.00 C ATOM 953 CD GLN A 58 16.583 4.575 -1.996 1.00 0.00 C ATOM 954 OE1 GLN A 58 16.926 3.421 -2.164 1.00 0.00 O ATOM 955 NE2 GLN A 58 17.385 5.549 -2.331 1.00 0.00 N ATOM 0 H GLN A 58 12.608 4.865 -2.277 1.00 0.00 H new ATOM 0 HA GLN A 58 14.616 2.984 -3.187 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.664 3.770 -0.405 1.00 0.00 H new ATOM 0 HB3 GLN A 58 15.106 2.840 -0.757 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.657 5.554 -2.067 1.00 0.00 H new ATOM 0 HG3 GLN A 58 15.340 5.445 -0.457 1.00 0.00 H new ATOM 0 HE21 GLN A 58 17.098 6.518 -2.190 1.00 0.00 H new ATOM 0 HE22 GLN A 58 18.299 5.342 -2.734 1.00 0.00 H new ATOM 964 N SER A 59 11.746 1.953 -2.087 1.00 0.00 N ATOM 965 CA SER A 59 10.894 0.752 -1.892 1.00 0.00 C ATOM 966 C SER A 59 10.389 0.295 -3.264 1.00 0.00 C ATOM 967 O SER A 59 9.588 -0.611 -3.375 1.00 0.00 O ATOM 968 CB SER A 59 9.705 1.103 -0.998 1.00 0.00 C ATOM 969 OG SER A 59 8.632 1.571 -1.805 1.00 0.00 O ATOM 0 H SER A 59 11.242 2.840 -2.092 1.00 0.00 H new ATOM 0 HA SER A 59 11.468 -0.043 -1.417 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.392 0.227 -0.429 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.992 1.867 -0.275 1.00 0.00 H new ATOM 0 HG SER A 59 8.990 1.977 -2.622 1.00 0.00 H new ATOM 975 N LYS A 60 10.871 0.914 -4.313 1.00 0.00 N ATOM 976 CA LYS A 60 10.444 0.518 -5.682 1.00 0.00 C ATOM 977 C LYS A 60 11.573 -0.273 -6.353 1.00 0.00 C ATOM 978 O LYS A 60 11.336 -1.212 -7.087 1.00 0.00 O ATOM 979 CB LYS A 60 10.141 1.773 -6.506 1.00 0.00 C ATOM 980 CG LYS A 60 9.677 1.368 -7.907 1.00 0.00 C ATOM 981 CD LYS A 60 10.108 2.432 -8.918 1.00 0.00 C ATOM 982 CE LYS A 60 9.209 2.355 -10.154 1.00 0.00 C ATOM 983 NZ LYS A 60 10.036 2.036 -11.352 1.00 0.00 N ATOM 0 H LYS A 60 11.544 1.679 -4.276 1.00 0.00 H new ATOM 0 HA LYS A 60 9.548 -0.100 -5.622 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.370 2.366 -6.014 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.030 2.399 -6.573 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.103 0.402 -8.177 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.593 1.254 -7.923 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.043 3.423 -8.469 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.149 2.278 -9.202 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.444 1.591 -10.013 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.690 3.303 -10.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.425 1.984 -12.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.750 2.780 -11.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.511 1.122 -11.212 1.00 0.00 H new ATOM 1083 N ALA A 67 6.880 -0.518 -5.945 1.00 0.00 N ATOM 1084 CA ALA A 67 5.644 -0.189 -5.202 1.00 0.00 C ATOM 1085 C ALA A 67 4.892 0.942 -5.898 1.00 0.00 C ATOM 1086 O ALA A 67 3.722 1.163 -5.662 1.00 0.00 O ATOM 1087 CB ALA A 67 6.041 0.262 -3.812 1.00 0.00 C ATOM 0 HA ALA A 67 4.996 -1.064 -5.159 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.147 0.511 -3.241 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.580 -0.541 -3.309 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.682 1.140 -3.884 1.00 0.00 H new ATOM 1093 N GLU A 68 5.555 1.656 -6.757 1.00 0.00 N ATOM 1094 CA GLU A 68 4.893 2.766 -7.474 1.00 0.00 C ATOM 1095 C GLU A 68 3.516 2.304 -7.973 1.00 0.00 C ATOM 1096 O GLU A 68 2.615 3.098 -8.159 1.00 0.00 O ATOM 1097 CB GLU A 68 5.821 3.208 -8.622 1.00 0.00 C ATOM 1098 CG GLU A 68 5.175 2.946 -9.977 1.00 0.00 C ATOM 1099 CD GLU A 68 5.978 3.645 -11.076 1.00 0.00 C ATOM 1100 OE1 GLU A 68 6.366 4.783 -10.866 1.00 0.00 O ATOM 1101 OE2 GLU A 68 6.192 3.031 -12.108 1.00 0.00 O ATOM 0 H GLU A 68 6.537 1.514 -6.993 1.00 0.00 H new ATOM 0 HA GLU A 68 4.721 3.621 -6.820 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.048 4.269 -8.523 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.768 2.672 -8.556 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.134 1.874 -10.170 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.147 3.310 -9.977 1.00 0.00 H new ATOM 1108 N SER A 69 3.344 1.027 -8.177 1.00 0.00 N ATOM 1109 CA SER A 69 2.024 0.521 -8.648 1.00 0.00 C ATOM 1110 C SER A 69 1.045 0.509 -7.471 1.00 0.00 C ATOM 1111 O SER A 69 -0.071 0.985 -7.569 1.00 0.00 O ATOM 1112 CB SER A 69 2.188 -0.898 -9.190 1.00 0.00 C ATOM 1113 OG SER A 69 1.296 -1.089 -10.280 1.00 0.00 O ATOM 0 H SER A 69 4.059 0.313 -8.038 1.00 0.00 H new ATOM 0 HA SER A 69 1.641 1.167 -9.438 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.216 -1.060 -9.514 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.983 -1.626 -8.405 1.00 0.00 H new ATOM 0 HG SER A 69 1.807 -1.147 -11.114 1.00 0.00 H new ATOM 1119 N VAL A 70 1.461 -0.020 -6.351 1.00 0.00 N ATOM 1120 CA VAL A 70 0.566 -0.049 -5.167 1.00 0.00 C ATOM 1121 C VAL A 70 0.084 1.372 -4.905 1.00 0.00 C ATOM 1122 O VAL A 70 -1.074 1.608 -4.619 1.00 0.00 O ATOM 1123 CB VAL A 70 1.343 -0.567 -3.956 1.00 0.00 C ATOM 1124 CG1 VAL A 70 0.498 -0.406 -2.693 1.00 0.00 C ATOM 1125 CG2 VAL A 70 1.675 -2.047 -4.161 1.00 0.00 C ATOM 0 H VAL A 70 2.383 -0.432 -6.209 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.285 -0.706 -5.345 1.00 0.00 H new ATOM 0 HB VAL A 70 2.265 0.004 -3.848 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.055 -0.776 -1.833 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.261 0.648 -2.546 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.426 -0.974 -2.799 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.229 -2.418 -3.299 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.751 -2.615 -4.271 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.281 -2.163 -5.059 1.00 0.00 H new ATOM 1135 N LEU A 71 0.963 2.328 -5.027 1.00 0.00 N ATOM 1136 CA LEU A 71 0.551 3.737 -4.812 1.00 0.00 C ATOM 1137 C LEU A 71 -0.491 4.091 -5.861 1.00 0.00 C ATOM 1138 O LEU A 71 -1.525 4.627 -5.559 1.00 0.00 O ATOM 1139 CB LEU A 71 1.746 4.667 -4.975 1.00 0.00 C ATOM 1140 CG LEU A 71 1.268 6.117 -4.860 1.00 0.00 C ATOM 1141 CD1 LEU A 71 1.401 6.584 -3.409 1.00 0.00 C ATOM 1142 CD2 LEU A 71 2.113 7.016 -5.766 1.00 0.00 C ATOM 0 H LEU A 71 1.945 2.192 -5.266 1.00 0.00 H new ATOM 0 HA LEU A 71 0.148 3.850 -3.806 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.495 4.456 -4.211 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.222 4.503 -5.942 1.00 0.00 H new ATOM 0 HG LEU A 71 0.224 6.177 -5.169 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.061 7.616 -3.326 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.793 5.949 -2.765 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.444 6.520 -3.100 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.768 8.046 -5.680 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.159 6.957 -5.464 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.015 6.686 -6.800 1.00 0.00 H new ATOM 1154 N GLN A 72 -0.223 3.788 -7.097 1.00 0.00 N ATOM 1155 CA GLN A 72 -1.207 4.097 -8.169 1.00 0.00 C ATOM 1156 C GLN A 72 -2.571 3.575 -7.737 1.00 0.00 C ATOM 1157 O GLN A 72 -3.596 4.154 -8.027 1.00 0.00 O ATOM 1158 CB GLN A 72 -0.748 3.419 -9.480 1.00 0.00 C ATOM 1159 CG GLN A 72 -1.783 2.404 -9.991 1.00 0.00 C ATOM 1160 CD GLN A 72 -1.373 1.911 -11.379 1.00 0.00 C ATOM 1161 OE1 GLN A 72 -2.181 1.866 -12.284 1.00 0.00 O ATOM 1162 NE2 GLN A 72 -0.141 1.537 -11.585 1.00 0.00 N ATOM 0 H GLN A 72 0.636 3.339 -7.413 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.275 5.172 -8.339 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.578 4.179 -10.242 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.204 2.915 -9.314 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.854 1.563 -9.301 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.770 2.865 -10.034 1.00 0.00 H new ATOM 0 HE21 GLN A 72 0.537 1.575 -10.824 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.144 1.206 -12.507 1.00 0.00 H new ATOM 1171 N VAL A 73 -2.578 2.473 -7.058 1.00 0.00 N ATOM 1172 CA VAL A 73 -3.851 1.884 -6.605 1.00 0.00 C ATOM 1173 C VAL A 73 -4.385 2.671 -5.405 1.00 0.00 C ATOM 1174 O VAL A 73 -5.575 2.811 -5.230 1.00 0.00 O ATOM 1175 CB VAL A 73 -3.591 0.435 -6.224 1.00 0.00 C ATOM 1176 CG1 VAL A 73 -4.807 -0.150 -5.505 1.00 0.00 C ATOM 1177 CG2 VAL A 73 -3.288 -0.356 -7.504 1.00 0.00 C ATOM 0 H VAL A 73 -1.743 1.950 -6.795 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.598 1.927 -7.397 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.741 0.374 -5.545 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.607 -1.188 -5.238 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.007 0.425 -4.601 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.675 -0.105 -6.163 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.099 -1.399 -7.251 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.141 -0.296 -8.180 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.409 0.064 -7.992 1.00 0.00 H new ATOM 1187 N PHE A 74 -3.519 3.180 -4.572 1.00 0.00 N ATOM 1188 CA PHE A 74 -4.001 3.955 -3.389 1.00 0.00 C ATOM 1189 C PHE A 74 -4.564 5.314 -3.845 1.00 0.00 C ATOM 1190 O PHE A 74 -5.548 5.797 -3.318 1.00 0.00 O ATOM 1191 CB PHE A 74 -2.841 4.180 -2.412 1.00 0.00 C ATOM 1192 CG PHE A 74 -2.833 3.079 -1.381 1.00 0.00 C ATOM 1193 CD1 PHE A 74 -3.777 3.080 -0.349 1.00 0.00 C ATOM 1194 CD2 PHE A 74 -1.884 2.053 -1.461 1.00 0.00 C ATOM 1195 CE1 PHE A 74 -3.772 2.057 0.606 1.00 0.00 C ATOM 1196 CE2 PHE A 74 -1.877 1.030 -0.506 1.00 0.00 C ATOM 1197 CZ PHE A 74 -2.822 1.031 0.527 1.00 0.00 C ATOM 0 H PHE A 74 -2.506 3.095 -4.656 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.790 3.391 -2.891 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.894 4.195 -2.952 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.945 5.149 -1.924 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.510 3.871 -0.289 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.157 2.051 -2.260 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.500 2.059 1.403 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -1.143 0.240 -0.566 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.818 0.241 1.263 1.00 0.00 H new ATOM 1207 N ARG A 75 -3.952 5.927 -4.822 1.00 0.00 N ATOM 1208 CA ARG A 75 -4.438 7.239 -5.318 1.00 0.00 C ATOM 1209 C ARG A 75 -5.611 7.006 -6.256 1.00 0.00 C ATOM 1210 O ARG A 75 -6.535 7.785 -6.315 1.00 0.00 O ATOM 1211 CB ARG A 75 -3.321 7.938 -6.080 1.00 0.00 C ATOM 1212 CG ARG A 75 -2.520 8.827 -5.127 1.00 0.00 C ATOM 1213 CD ARG A 75 -1.065 8.898 -5.596 1.00 0.00 C ATOM 1214 NE ARG A 75 -0.898 10.039 -6.544 1.00 0.00 N ATOM 1215 CZ ARG A 75 -1.846 10.333 -7.392 1.00 0.00 C ATOM 1216 NH1 ARG A 75 -1.891 9.736 -8.552 1.00 0.00 N ATOM 1217 NH2 ARG A 75 -2.748 11.223 -7.081 1.00 0.00 N ATOM 0 H ARG A 75 -3.126 5.567 -5.301 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.749 7.859 -4.477 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.665 7.199 -6.540 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.740 8.539 -6.887 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.952 9.827 -5.096 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.568 8.428 -4.114 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.402 9.024 -4.740 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.783 7.964 -6.082 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.040 10.591 -6.529 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.186 9.040 -8.795 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.631 9.965 -9.215 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.713 11.690 -6.175 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.488 11.452 -7.744 1.00 0.00 H new ATOM 1231 N GLU A 76 -5.576 5.924 -6.978 1.00 0.00 N ATOM 1232 CA GLU A 76 -6.693 5.601 -7.902 1.00 0.00 C ATOM 1233 C GLU A 76 -7.923 5.370 -7.037 1.00 0.00 C ATOM 1234 O GLU A 76 -8.990 5.892 -7.290 1.00 0.00 O ATOM 1235 CB GLU A 76 -6.349 4.327 -8.662 1.00 0.00 C ATOM 1236 CG GLU A 76 -5.699 4.665 -10.004 1.00 0.00 C ATOM 1237 CD GLU A 76 -6.786 4.881 -11.059 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -7.932 5.049 -10.675 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -6.454 4.873 -12.233 1.00 0.00 O ATOM 0 H GLU A 76 -4.815 5.245 -6.967 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.869 6.402 -8.620 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.672 3.713 -8.068 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.252 3.739 -8.826 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.087 5.562 -9.908 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.034 3.858 -10.312 1.00 0.00 H new ATOM 1246 N ALA A 77 -7.755 4.618 -5.981 1.00 0.00 N ATOM 1247 CA ALA A 77 -8.876 4.382 -5.051 1.00 0.00 C ATOM 1248 C ALA A 77 -9.221 5.737 -4.455 1.00 0.00 C ATOM 1249 O ALA A 77 -10.371 6.085 -4.289 1.00 0.00 O ATOM 1250 CB ALA A 77 -8.448 3.407 -3.948 1.00 0.00 C ATOM 0 H ALA A 77 -6.880 4.158 -5.729 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.734 3.943 -5.560 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.282 3.239 -3.267 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.149 2.459 -4.396 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.608 3.828 -3.396 1.00 0.00 H new ATOM 1256 N LYS A 78 -8.214 6.532 -4.187 1.00 0.00 N ATOM 1257 CA LYS A 78 -8.472 7.896 -3.661 1.00 0.00 C ATOM 1258 C LYS A 78 -9.343 8.608 -4.684 1.00 0.00 C ATOM 1259 O LYS A 78 -10.143 9.469 -4.373 1.00 0.00 O ATOM 1260 CB LYS A 78 -7.146 8.643 -3.551 1.00 0.00 C ATOM 1261 CG LYS A 78 -7.167 9.559 -2.326 1.00 0.00 C ATOM 1262 CD LYS A 78 -7.631 10.956 -2.742 1.00 0.00 C ATOM 1263 CE LYS A 78 -6.515 11.967 -2.471 1.00 0.00 C ATOM 1264 NZ LYS A 78 -7.044 13.077 -1.628 1.00 0.00 N ATOM 0 H LYS A 78 -7.231 6.291 -4.311 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.953 7.856 -2.684 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.323 7.932 -3.471 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.973 9.230 -4.453 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.835 9.153 -1.567 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.173 9.612 -1.881 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.894 10.963 -3.800 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.529 11.232 -2.189 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -5.682 11.478 -1.966 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.131 12.362 -3.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.286 13.764 -1.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.826 13.549 -2.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.390 12.693 -0.726 1.00 0.00 H new ATOM 1278 N ALA A 79 -9.164 8.233 -5.915 1.00 0.00 N ATOM 1279 CA ALA A 79 -9.925 8.831 -7.028 1.00 0.00 C ATOM 1280 C ALA A 79 -11.324 8.223 -7.065 1.00 0.00 C ATOM 1281 O ALA A 79 -12.274 8.830 -7.520 1.00 0.00 O ATOM 1282 CB ALA A 79 -9.191 8.494 -8.321 1.00 0.00 C ATOM 0 H ALA A 79 -8.499 7.513 -6.199 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.010 9.911 -6.904 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.729 8.922 -9.167 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.183 8.907 -8.285 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.136 7.412 -8.437 1.00 0.00 H new ATOM 1288 N GLU A 80 -11.438 7.012 -6.607 1.00 0.00 N ATOM 1289 CA GLU A 80 -12.742 6.306 -6.612 1.00 0.00 C ATOM 1290 C GLU A 80 -13.644 6.778 -5.459 1.00 0.00 C ATOM 1291 O GLU A 80 -14.392 6.003 -4.897 1.00 0.00 O ATOM 1292 CB GLU A 80 -12.476 4.807 -6.475 1.00 0.00 C ATOM 1293 CG GLU A 80 -12.187 4.222 -7.857 1.00 0.00 C ATOM 1294 CD GLU A 80 -13.316 3.271 -8.258 1.00 0.00 C ATOM 1295 OE1 GLU A 80 -14.443 3.729 -8.355 1.00 0.00 O ATOM 1296 OE2 GLU A 80 -13.036 2.101 -8.462 1.00 0.00 O ATOM 0 H GLU A 80 -10.664 6.471 -6.221 1.00 0.00 H new ATOM 0 HA GLU A 80 -13.260 6.525 -7.546 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.630 4.634 -5.809 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.339 4.311 -6.030 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.095 5.023 -8.590 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -11.236 3.689 -7.846 1.00 0.00 H new ATOM 1303 N GLY A 81 -13.601 8.038 -5.110 1.00 0.00 N ATOM 1304 CA GLY A 81 -14.478 8.538 -4.010 1.00 0.00 C ATOM 1305 C GLY A 81 -13.886 8.178 -2.645 1.00 0.00 C ATOM 1306 O GLY A 81 -14.356 8.633 -1.621 1.00 0.00 O ATOM 0 H GLY A 81 -12.998 8.741 -5.538 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -14.591 9.619 -4.090 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -15.474 8.106 -4.106 1.00 0.00 H new ATOM 1310 N CYS A 82 -12.866 7.367 -2.612 1.00 0.00 N ATOM 1311 CA CYS A 82 -12.265 6.989 -1.307 1.00 0.00 C ATOM 1312 C CYS A 82 -11.473 8.169 -0.745 1.00 0.00 C ATOM 1313 O CYS A 82 -11.027 9.034 -1.473 1.00 0.00 O ATOM 1314 CB CYS A 82 -11.326 5.804 -1.512 1.00 0.00 C ATOM 1315 SG CYS A 82 -12.279 4.361 -2.046 1.00 0.00 S ATOM 0 H CYS A 82 -12.424 6.951 -3.432 1.00 0.00 H new ATOM 0 HA CYS A 82 -13.056 6.718 -0.607 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -10.571 6.050 -2.258 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -10.798 5.581 -0.585 1.00 0.00 H new ATOM 0 HG CYS A 82 -11.478 3.353 -2.222 1.00 0.00 H new ATOM 1321 N ASP A 83 -11.292 8.213 0.547 1.00 0.00 N ATOM 1322 CA ASP A 83 -10.529 9.335 1.152 1.00 0.00 C ATOM 1323 C ASP A 83 -9.191 8.812 1.680 1.00 0.00 C ATOM 1324 O ASP A 83 -8.909 8.872 2.861 1.00 0.00 O ATOM 1325 CB ASP A 83 -11.339 9.929 2.302 1.00 0.00 C ATOM 1326 CG ASP A 83 -10.847 11.348 2.594 1.00 0.00 C ATOM 1327 OD1 ASP A 83 -11.214 12.244 1.852 1.00 0.00 O ATOM 1328 OD2 ASP A 83 -10.112 11.516 3.553 1.00 0.00 O ATOM 0 H ASP A 83 -11.641 7.519 1.208 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.345 10.104 0.402 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.398 9.946 2.044 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.237 9.307 3.192 1.00 0.00 H new ATOM 1333 N ILE A 84 -8.363 8.300 0.812 1.00 0.00 N ATOM 1334 CA ILE A 84 -7.042 7.777 1.258 1.00 0.00 C ATOM 1335 C ILE A 84 -6.006 8.903 1.185 1.00 0.00 C ATOM 1336 O ILE A 84 -5.274 9.022 0.221 1.00 0.00 O ATOM 1337 CB ILE A 84 -6.600 6.643 0.341 1.00 0.00 C ATOM 1338 CG1 ILE A 84 -7.474 5.420 0.582 1.00 0.00 C ATOM 1339 CG2 ILE A 84 -5.143 6.295 0.639 1.00 0.00 C ATOM 1340 CD1 ILE A 84 -7.986 4.916 -0.763 1.00 0.00 C ATOM 0 H ILE A 84 -8.545 8.221 -0.189 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.127 7.408 2.280 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.698 6.955 -0.699 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.903 4.640 1.086 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.310 5.675 1.234 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.822 5.484 -0.014 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.517 7.170 0.466 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.049 5.982 1.679 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.614 4.039 -0.608 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.569 5.699 -1.247 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.141 4.649 -1.397 1.00 0.00 H new ATOM 1352 N THR A 85 -5.931 9.723 2.191 1.00 0.00 N ATOM 1353 CA THR A 85 -4.937 10.831 2.176 1.00 0.00 C ATOM 1354 C THR A 85 -3.555 10.259 1.860 1.00 0.00 C ATOM 1355 O THR A 85 -2.875 9.734 2.722 1.00 0.00 O ATOM 1356 CB THR A 85 -4.910 11.514 3.547 1.00 0.00 C ATOM 1357 OG1 THR A 85 -6.082 12.302 3.704 1.00 0.00 O ATOM 1358 CG2 THR A 85 -3.674 12.410 3.653 1.00 0.00 C ATOM 0 H THR A 85 -6.515 9.675 3.026 1.00 0.00 H new ATOM 0 HA THR A 85 -5.213 11.563 1.417 1.00 0.00 H new ATOM 0 HB THR A 85 -4.872 10.755 4.329 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.068 12.739 4.581 1.00 0.00 H new ATOM 0 HG21 THR A 85 -3.658 12.894 4.629 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.775 11.805 3.533 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.707 13.170 2.872 1.00 0.00 H new ATOM 1366 N ILE A 86 -3.134 10.353 0.630 1.00 0.00 N ATOM 1367 CA ILE A 86 -1.797 9.816 0.261 1.00 0.00 C ATOM 1368 C ILE A 86 -0.717 10.709 0.885 1.00 0.00 C ATOM 1369 O ILE A 86 -0.599 11.874 0.561 1.00 0.00 O ATOM 1370 CB ILE A 86 -1.682 9.771 -1.278 1.00 0.00 C ATOM 1371 CG1 ILE A 86 -1.068 8.435 -1.697 1.00 0.00 C ATOM 1372 CG2 ILE A 86 -0.810 10.915 -1.810 1.00 0.00 C ATOM 1373 CD1 ILE A 86 -2.166 7.373 -1.767 1.00 0.00 C ATOM 0 H ILE A 86 -3.658 10.778 -0.135 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.664 8.803 0.640 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.682 9.881 -1.698 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.580 8.534 -2.667 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.301 8.135 -0.983 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.751 10.852 -2.897 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.250 11.871 -1.525 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.191 10.836 -1.387 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.731 6.419 -2.066 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.634 7.268 -0.788 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.917 7.674 -2.497 1.00 0.00 H new ATOM 1385 N ILE A 87 0.063 10.177 1.786 1.00 0.00 N ATOM 1386 CA ILE A 87 1.119 11.005 2.431 1.00 0.00 C ATOM 1387 C ILE A 87 2.497 10.551 1.947 1.00 0.00 C ATOM 1388 O ILE A 87 3.009 9.531 2.365 1.00 0.00 O ATOM 1389 CB ILE A 87 1.027 10.849 3.950 1.00 0.00 C ATOM 1390 CG1 ILE A 87 -0.223 11.569 4.461 1.00 0.00 C ATOM 1391 CG2 ILE A 87 2.266 11.461 4.604 1.00 0.00 C ATOM 1392 CD1 ILE A 87 -0.354 11.357 5.970 1.00 0.00 C ATOM 0 H ILE A 87 0.015 9.208 2.102 1.00 0.00 H new ATOM 0 HA ILE A 87 0.975 12.052 2.164 1.00 0.00 H new ATOM 0 HB ILE A 87 0.968 9.790 4.202 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.159 12.634 4.237 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.108 11.189 3.952 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.199 11.349 5.686 1.00 0.00 H new ATOM 0 HG22 ILE A 87 3.158 10.951 4.241 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.325 12.520 4.352 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.244 11.870 6.334 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.437 10.291 6.182 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.526 11.759 6.472 1.00 0.00 H new ATOM 1404 N LEU A 88 3.102 11.304 1.069 1.00 0.00 N ATOM 1405 CA LEU A 88 4.447 10.921 0.556 1.00 0.00 C ATOM 1406 C LEU A 88 5.525 11.640 1.369 1.00 0.00 C ATOM 1407 O LEU A 88 5.759 12.820 1.201 1.00 0.00 O ATOM 1408 CB LEU A 88 4.564 11.326 -0.915 1.00 0.00 C ATOM 1409 CG LEU A 88 4.039 10.195 -1.801 1.00 0.00 C ATOM 1410 CD1 LEU A 88 2.688 10.596 -2.394 1.00 0.00 C ATOM 1411 CD2 LEU A 88 5.035 9.932 -2.934 1.00 0.00 C ATOM 0 H LEU A 88 2.722 12.169 0.685 1.00 0.00 H new ATOM 0 HA LEU A 88 4.579 9.843 0.649 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.996 12.238 -1.098 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.603 11.542 -1.162 1.00 0.00 H new ATOM 0 HG LEU A 88 3.919 9.291 -1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.314 9.790 -3.025 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.979 10.785 -1.588 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.807 11.500 -2.992 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.662 9.126 -3.566 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.154 10.836 -3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.999 9.646 -2.512 1.00 0.00 H new ATOM 1423 N SER A 89 6.184 10.938 2.249 1.00 0.00 N ATOM 1424 CA SER A 89 7.246 11.583 3.072 1.00 0.00 C ATOM 1425 C SER A 89 8.593 10.920 2.778 1.00 0.00 C ATOM 1426 O SER A 89 8.782 10.479 1.656 1.00 0.00 O ATOM 1427 CB SER A 89 6.911 11.422 4.555 1.00 0.00 C ATOM 1428 OG SER A 89 7.526 10.240 5.049 1.00 0.00 O ATOM 1429 OXT SER A 89 9.412 10.863 3.680 1.00 0.00 O ATOM 0 H SER A 89 6.033 9.946 2.434 1.00 0.00 H new ATOM 0 HA SER A 89 7.302 12.643 2.826 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.261 12.289 5.115 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.831 11.369 4.692 1.00 0.00 H new ATOM 0 HG SER A 89 8.491 10.387 5.140 1.00 0.00 H new