USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 721 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 70 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 73 GLN : amide:sc= -0.158 K(o=-0.16,f=-6.3!) USER MOD Set 2.1: A 13 LYS NZ :NH3+ -161:sc= 0.985 (180deg=0) USER MOD Set 2.2: A 17 SER OG : rot 120:sc= 0.513 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.458 X(o=-0.46,f=-0.56) USER MOD Single : A 16 ASN : amide:sc= -0.209 X(o=-0.21,f=-0.064) USER MOD Single : A 21 SER OG : rot 180:sc=-0.00256 USER MOD Single : A 23 THR OG1 : rot -140:sc= -2.19 USER MOD Single : A 27 ASN : amide:sc= -1.9 K(o=-1.9,f=-8.4!) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.253 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.018 X(o=-0.018,f=0) USER MOD Single : A 36 TYR OH : rot 150:sc= -0.0487 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 29:sc= 0.873 USER MOD Single : A 53 HIS : no HE2:sc= -0.0637 K(o=-0.064,f=-1.2) USER MOD Single : A 54 LYS NZ :NH3+ 169:sc= 0.0508 (180deg=0.0315) USER MOD Single : A 62 ASN : amide:sc= -6.12! C(o=-6.1!,f=-4.1!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HE2:sc= -6.31! C(o=-6.3!,f=-5.9!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot -38:sc= -3.78! USER MOD Single : A 80 ASN : amide:sc= 0.802 K(o=0.8,f=-0.37) USER MOD Single : A 81 THR OG1 : rot -85:sc= 0.615 USER MOD Single : A 83 GLN : amide:sc= -0.137 K(o=-0.14,f=-0.98) USER MOD Single : A 86 HIS : no HD1:sc= -2.18! C(o=-2.2!,f=-3.3!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0384 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -21.566 5.837 -3.651 1.00 15.00 N ATOM 2 CA PRO A 1 -20.448 4.864 -3.779 1.00 15.00 C ATOM 3 C PRO A 1 -20.465 3.828 -2.656 1.00 15.00 C ATOM 4 O PRO A 1 -21.135 4.010 -1.640 1.00 15.00 O ATOM 5 CB PRO A 1 -19.143 5.656 -3.752 1.00 15.00 C ATOM 6 CG PRO A 1 -19.565 7.050 -3.431 1.00 15.00 C ATOM 7 CD PRO A 1 -20.999 7.176 -3.883 1.00 15.00 C ATOM 0 H2 PRO A 1 -21.990 5.780 -2.725 1.00 15.00 H new ATOM 0 H3 PRO A 1 -22.301 5.634 -4.329 1.00 15.00 H new ATOM 0 HA PRO A 1 -20.551 4.313 -4.714 1.00 15.00 H new ATOM 0 HB2 PRO A 1 -18.456 5.265 -3.001 1.00 15.00 H new ATOM 0 HB3 PRO A 1 -18.628 5.607 -4.711 1.00 15.00 H new ATOM 0 HG2 PRO A 1 -19.476 7.246 -2.363 1.00 15.00 H new ATOM 0 HG3 PRO A 1 -18.932 7.775 -3.942 1.00 15.00 H new ATOM 0 HD2 PRO A 1 -21.531 7.939 -3.314 1.00 15.00 H new ATOM 0 HD3 PRO A 1 -21.063 7.460 -4.934 1.00 15.00 H new ATOM 17 N LYS A 2 -19.723 2.743 -2.850 1.00 15.00 N ATOM 18 CA LYS A 2 -19.650 1.678 -1.856 1.00 15.00 C ATOM 19 C LYS A 2 -18.254 1.059 -1.830 1.00 15.00 C ATOM 20 O LYS A 2 -17.726 0.662 -2.869 1.00 15.00 O ATOM 21 CB LYS A 2 -20.693 0.600 -2.159 1.00 15.00 C ATOM 22 CG LYS A 2 -22.073 0.917 -1.606 1.00 15.00 C ATOM 23 CD LYS A 2 -23.167 0.576 -2.605 1.00 15.00 C ATOM 24 CE LYS A 2 -24.509 0.380 -1.916 1.00 15.00 C ATOM 25 NZ LYS A 2 -25.649 0.633 -2.839 1.00 15.00 N ATOM 0 H LYS A 2 -19.163 2.578 -3.687 1.00 15.00 H new ATOM 0 HA LYS A 2 -19.857 2.109 -0.877 1.00 15.00 H new ATOM 0 HB2 LYS A 2 -20.765 0.469 -3.239 1.00 15.00 H new ATOM 0 HB3 LYS A 2 -20.354 -0.349 -1.744 1.00 15.00 H new ATOM 0 HG2 LYS A 2 -22.234 0.358 -0.684 1.00 15.00 H new ATOM 0 HG3 LYS A 2 -22.129 1.975 -1.351 1.00 15.00 H new ATOM 0 HD2 LYS A 2 -23.249 1.374 -3.343 1.00 15.00 H new ATOM 0 HD3 LYS A 2 -22.898 -0.332 -3.145 1.00 15.00 H new ATOM 0 HE2 LYS A 2 -24.574 -0.637 -1.530 1.00 15.00 H new ATOM 0 HE3 LYS A 2 -24.579 1.051 -1.060 1.00 15.00 H new ATOM 0 HZ1 LYS A 2 -26.545 0.489 -2.331 1.00 15.00 H new ATOM 0 HZ2 LYS A 2 -25.602 1.611 -3.188 1.00 15.00 H new ATOM 0 HZ3 LYS A 2 -25.597 -0.024 -3.643 1.00 15.00 H new ATOM 39 N PRO A 3 -17.630 0.969 -0.641 1.00 15.00 N ATOM 40 CA PRO A 3 -16.287 0.396 -0.501 1.00 15.00 C ATOM 41 C PRO A 3 -16.198 -1.022 -1.050 1.00 15.00 C ATOM 42 O PRO A 3 -17.081 -1.474 -1.779 1.00 15.00 O ATOM 43 CB PRO A 3 -16.046 0.390 1.008 1.00 15.00 C ATOM 44 CG PRO A 3 -16.969 1.427 1.550 1.00 15.00 C ATOM 45 CD PRO A 3 -18.175 1.417 0.653 1.00 15.00 C ATOM 0 HA PRO A 3 -15.549 0.970 -1.062 1.00 15.00 H new ATOM 0 HB2 PRO A 3 -16.257 -0.589 1.437 1.00 15.00 H new ATOM 0 HB3 PRO A 3 -15.008 0.624 1.243 1.00 15.00 H new ATOM 0 HG2 PRO A 3 -17.247 1.202 2.580 1.00 15.00 H new ATOM 0 HG3 PRO A 3 -16.494 2.408 1.555 1.00 15.00 H new ATOM 0 HD2 PRO A 3 -18.945 0.739 1.022 1.00 15.00 H new ATOM 0 HD3 PRO A 3 -18.629 2.405 0.578 1.00 15.00 H new ATOM 53 N GLY A 4 -15.119 -1.716 -0.701 1.00 15.00 N ATOM 54 CA GLY A 4 -14.925 -3.074 -1.172 1.00 15.00 C ATOM 55 C GLY A 4 -14.227 -3.121 -2.518 1.00 15.00 C ATOM 56 O GLY A 4 -13.656 -4.145 -2.894 1.00 15.00 O ATOM 0 H GLY A 4 -14.375 -1.361 -0.100 1.00 15.00 H new ATOM 0 HA2 GLY A 4 -14.338 -3.630 -0.441 1.00 15.00 H new ATOM 0 HA3 GLY A 4 -15.892 -3.571 -1.249 1.00 15.00 H new ATOM 60 N ASP A 5 -14.274 -2.008 -3.245 1.00 15.00 N ATOM 61 CA ASP A 5 -13.644 -1.920 -4.557 1.00 15.00 C ATOM 62 C ASP A 5 -12.131 -1.863 -4.439 1.00 15.00 C ATOM 63 O ASP A 5 -11.582 -1.515 -3.393 1.00 15.00 O ATOM 64 CB ASP A 5 -14.155 -0.692 -5.312 1.00 15.00 C ATOM 65 CG ASP A 5 -13.722 -0.685 -6.765 1.00 15.00 C ATOM 66 OD1 ASP A 5 -14.340 -1.411 -7.572 1.00 15.00 O ATOM 67 OD2 ASP A 5 -12.764 0.046 -7.096 1.00 15.00 O ATOM 0 H ASP A 5 -14.743 -1.153 -2.946 1.00 15.00 H new ATOM 0 HA ASP A 5 -13.909 -2.818 -5.114 1.00 15.00 H new ATOM 0 HB2 ASP A 5 -15.243 -0.664 -5.260 1.00 15.00 H new ATOM 0 HB3 ASP A 5 -13.789 0.210 -4.822 1.00 15.00 H new ATOM 72 N ILE A 6 -11.471 -2.217 -5.528 1.00 15.00 N ATOM 73 CA ILE A 6 -10.022 -2.226 -5.587 1.00 15.00 C ATOM 74 C ILE A 6 -9.509 -1.026 -6.377 1.00 15.00 C ATOM 75 O ILE A 6 -10.119 -0.618 -7.366 1.00 15.00 O ATOM 76 CB ILE A 6 -9.530 -3.530 -6.249 1.00 15.00 C ATOM 77 CG1 ILE A 6 -9.166 -4.565 -5.186 1.00 15.00 C ATOM 78 CG2 ILE A 6 -8.337 -3.270 -7.168 1.00 15.00 C ATOM 79 CD1 ILE A 6 -10.266 -4.809 -4.174 1.00 15.00 C ATOM 0 H ILE A 6 -11.925 -2.506 -6.395 1.00 15.00 H new ATOM 0 HA ILE A 6 -9.636 -2.167 -4.569 1.00 15.00 H new ATOM 0 HB ILE A 6 -10.344 -3.923 -6.858 1.00 15.00 H new ATOM 0 HG12 ILE A 6 -8.920 -5.507 -5.677 1.00 15.00 H new ATOM 0 HG13 ILE A 6 -8.269 -4.235 -4.662 1.00 15.00 H new ATOM 0 HG21 ILE A 6 -8.014 -4.208 -7.619 1.00 15.00 H new ATOM 0 HG22 ILE A 6 -8.628 -2.571 -7.953 1.00 15.00 H new ATOM 0 HG23 ILE A 6 -7.517 -2.845 -6.589 1.00 15.00 H new ATOM 0 HD11 ILE A 6 -9.936 -5.555 -3.451 1.00 15.00 H new ATOM 0 HD12 ILE A 6 -10.496 -3.878 -3.656 1.00 15.00 H new ATOM 0 HD13 ILE A 6 -11.158 -5.169 -4.686 1.00 15.00 H new ATOM 91 N PHE A 7 -8.380 -0.476 -5.954 1.00 15.00 N ATOM 92 CA PHE A 7 -7.790 0.658 -6.648 1.00 15.00 C ATOM 93 C PHE A 7 -6.273 0.524 -6.698 1.00 15.00 C ATOM 94 O PHE A 7 -5.692 -0.292 -5.986 1.00 15.00 O ATOM 95 CB PHE A 7 -8.197 1.977 -5.980 1.00 15.00 C ATOM 96 CG PHE A 7 -7.419 2.304 -4.736 1.00 15.00 C ATOM 97 CD1 PHE A 7 -6.123 2.789 -4.820 1.00 15.00 C ATOM 98 CD2 PHE A 7 -7.986 2.130 -3.485 1.00 15.00 C ATOM 99 CE1 PHE A 7 -5.408 3.093 -3.680 1.00 15.00 C ATOM 100 CE2 PHE A 7 -7.275 2.433 -2.340 1.00 15.00 C ATOM 101 CZ PHE A 7 -5.985 2.916 -2.438 1.00 15.00 C ATOM 0 H PHE A 7 -7.857 -0.795 -5.138 1.00 15.00 H new ATOM 0 HA PHE A 7 -8.167 0.667 -7.671 1.00 15.00 H new ATOM 0 HB2 PHE A 7 -8.072 2.788 -6.697 1.00 15.00 H new ATOM 0 HB3 PHE A 7 -9.257 1.933 -5.731 1.00 15.00 H new ATOM 0 HD1 PHE A 7 -5.668 2.930 -5.789 1.00 15.00 H new ATOM 0 HD2 PHE A 7 -8.995 1.753 -3.403 1.00 15.00 H new ATOM 0 HE1 PHE A 7 -4.399 3.469 -3.759 1.00 15.00 H new ATOM 0 HE2 PHE A 7 -7.727 2.292 -1.369 1.00 15.00 H new ATOM 0 HZ PHE A 7 -5.428 3.155 -1.544 1.00 15.00 H new ATOM 111 N GLU A 8 -5.638 1.321 -7.547 1.00 15.00 N ATOM 112 CA GLU A 8 -4.189 1.279 -7.692 1.00 15.00 C ATOM 113 C GLU A 8 -3.581 2.670 -7.599 1.00 15.00 C ATOM 114 O GLU A 8 -4.140 3.648 -8.094 1.00 15.00 O ATOM 115 CB GLU A 8 -3.811 0.642 -9.025 1.00 15.00 C ATOM 116 CG GLU A 8 -4.523 1.261 -10.209 1.00 15.00 C ATOM 117 CD GLU A 8 -4.641 0.310 -11.383 1.00 15.00 C ATOM 118 OE1 GLU A 8 -5.087 -0.839 -11.175 1.00 15.00 O ATOM 119 OE2 GLU A 8 -4.289 0.713 -12.512 1.00 15.00 O ATOM 0 H GLU A 8 -6.103 2.004 -8.145 1.00 15.00 H new ATOM 0 HA GLU A 8 -3.792 0.677 -6.875 1.00 15.00 H new ATOM 0 HB2 GLU A 8 -2.734 0.732 -9.170 1.00 15.00 H new ATOM 0 HB3 GLU A 8 -4.040 -0.423 -8.989 1.00 15.00 H new ATOM 0 HG2 GLU A 8 -5.520 1.579 -9.903 1.00 15.00 H new ATOM 0 HG3 GLU A 8 -3.986 2.156 -10.524 1.00 15.00 H new ATOM 126 N VAL A 9 -2.420 2.733 -6.970 1.00 15.00 N ATOM 127 CA VAL A 9 -1.688 3.981 -6.805 1.00 15.00 C ATOM 128 C VAL A 9 -0.556 4.050 -7.819 1.00 15.00 C ATOM 129 O VAL A 9 0.369 3.240 -7.787 1.00 15.00 O ATOM 130 CB VAL A 9 -1.133 4.137 -5.362 1.00 15.00 C ATOM 131 CG1 VAL A 9 -1.094 2.796 -4.643 1.00 15.00 C ATOM 132 CG2 VAL A 9 0.250 4.782 -5.359 1.00 15.00 C ATOM 0 H VAL A 9 -1.957 1.922 -6.559 1.00 15.00 H new ATOM 0 HA VAL A 9 -2.381 4.804 -6.977 1.00 15.00 H new ATOM 0 HB VAL A 9 -1.813 4.798 -4.825 1.00 15.00 H new ATOM 0 HG11 VAL A 9 -0.702 2.935 -3.636 1.00 15.00 H new ATOM 0 HG12 VAL A 9 -2.102 2.384 -4.586 1.00 15.00 H new ATOM 0 HG13 VAL A 9 -0.451 2.108 -5.191 1.00 15.00 H new ATOM 0 HG21 VAL A 9 0.606 4.875 -4.333 1.00 15.00 H new ATOM 0 HG22 VAL A 9 0.942 4.162 -5.928 1.00 15.00 H new ATOM 0 HG23 VAL A 9 0.191 5.771 -5.814 1.00 15.00 H new ATOM 142 N GLU A 10 -0.648 5.005 -8.731 1.00 15.00 N ATOM 143 CA GLU A 10 0.358 5.161 -9.767 1.00 15.00 C ATOM 144 C GLU A 10 1.258 6.363 -9.508 1.00 15.00 C ATOM 145 O GLU A 10 1.187 7.370 -10.212 1.00 15.00 O ATOM 146 CB GLU A 10 -0.323 5.291 -11.124 1.00 15.00 C ATOM 147 CG GLU A 10 0.644 5.486 -12.281 1.00 15.00 C ATOM 148 CD GLU A 10 0.224 6.607 -13.211 1.00 15.00 C ATOM 149 OE1 GLU A 10 0.083 7.753 -12.733 1.00 15.00 O ATOM 150 OE2 GLU A 10 0.035 6.339 -14.416 1.00 15.00 O ATOM 0 H GLU A 10 -1.409 5.683 -8.774 1.00 15.00 H new ATOM 0 HA GLU A 10 0.992 4.275 -9.759 1.00 15.00 H new ATOM 0 HB2 GLU A 10 -0.919 4.397 -11.308 1.00 15.00 H new ATOM 0 HB3 GLU A 10 -1.013 6.134 -11.094 1.00 15.00 H new ATOM 0 HG2 GLU A 10 1.638 5.699 -11.887 1.00 15.00 H new ATOM 0 HG3 GLU A 10 0.718 4.558 -12.848 1.00 15.00 H new ATOM 157 N LEU A 11 2.116 6.240 -8.503 1.00 15.00 N ATOM 158 CA LEU A 11 3.047 7.307 -8.160 1.00 15.00 C ATOM 159 C LEU A 11 4.330 7.159 -8.968 1.00 15.00 C ATOM 160 O LEU A 11 4.554 6.128 -9.598 1.00 15.00 O ATOM 161 CB LEU A 11 3.367 7.275 -6.664 1.00 15.00 C ATOM 162 CG LEU A 11 3.507 8.646 -5.997 1.00 15.00 C ATOM 163 CD1 LEU A 11 2.204 9.426 -6.087 1.00 15.00 C ATOM 164 CD2 LEU A 11 3.935 8.488 -4.546 1.00 15.00 C ATOM 0 H LEU A 11 2.186 5.412 -7.911 1.00 15.00 H new ATOM 0 HA LEU A 11 2.583 8.264 -8.398 1.00 15.00 H new ATOM 0 HB2 LEU A 11 2.581 6.719 -6.153 1.00 15.00 H new ATOM 0 HB3 LEU A 11 4.295 6.722 -6.519 1.00 15.00 H new ATOM 0 HG LEU A 11 4.276 9.208 -6.527 1.00 15.00 H new ATOM 0 HD11 LEU A 11 2.327 10.397 -5.607 1.00 15.00 H new ATOM 0 HD12 LEU A 11 1.938 9.570 -7.134 1.00 15.00 H new ATOM 0 HD13 LEU A 11 1.412 8.870 -5.585 1.00 15.00 H new ATOM 0 HD21 LEU A 11 4.030 9.471 -4.086 1.00 15.00 H new ATOM 0 HD22 LEU A 11 3.187 7.906 -4.007 1.00 15.00 H new ATOM 0 HD23 LEU A 11 4.895 7.973 -4.504 1.00 15.00 H new ATOM 176 N ALA A 12 5.172 8.184 -8.951 1.00 15.00 N ATOM 177 CA ALA A 12 6.428 8.139 -9.690 1.00 15.00 C ATOM 178 C ALA A 12 7.569 7.677 -8.793 1.00 15.00 C ATOM 179 O ALA A 12 8.131 8.461 -8.028 1.00 15.00 O ATOM 180 CB ALA A 12 6.743 9.496 -10.295 1.00 15.00 C ATOM 0 H ALA A 12 5.011 9.051 -8.438 1.00 15.00 H new ATOM 0 HA ALA A 12 6.318 7.418 -10.500 1.00 15.00 H new ATOM 0 HB1 ALA A 12 7.684 9.441 -10.842 1.00 15.00 H new ATOM 0 HB2 ALA A 12 5.943 9.785 -10.977 1.00 15.00 H new ATOM 0 HB3 ALA A 12 6.828 10.238 -9.501 1.00 15.00 H new ATOM 186 N LYS A 13 7.903 6.396 -8.893 1.00 15.00 N ATOM 187 CA LYS A 13 8.973 5.813 -8.094 1.00 15.00 C ATOM 188 C LYS A 13 10.273 6.598 -8.258 1.00 15.00 C ATOM 189 O LYS A 13 11.113 6.624 -7.359 1.00 15.00 O ATOM 190 CB LYS A 13 9.181 4.350 -8.492 1.00 15.00 C ATOM 191 CG LYS A 13 9.652 3.468 -7.351 1.00 15.00 C ATOM 192 CD LYS A 13 11.055 3.833 -6.899 1.00 15.00 C ATOM 193 CE LYS A 13 11.049 4.424 -5.499 1.00 15.00 C ATOM 194 NZ LYS A 13 12.403 4.400 -4.879 1.00 15.00 N ATOM 0 H LYS A 13 7.445 5.738 -9.524 1.00 15.00 H new ATOM 0 HA LYS A 13 8.683 5.861 -7.044 1.00 15.00 H new ATOM 0 HB2 LYS A 13 8.245 3.953 -8.884 1.00 15.00 H new ATOM 0 HB3 LYS A 13 9.910 4.303 -9.301 1.00 15.00 H new ATOM 0 HG2 LYS A 13 8.964 3.562 -6.511 1.00 15.00 H new ATOM 0 HG3 LYS A 13 9.631 2.425 -7.666 1.00 15.00 H new ATOM 0 HD2 LYS A 13 11.688 2.946 -6.919 1.00 15.00 H new ATOM 0 HD3 LYS A 13 11.489 4.549 -7.596 1.00 15.00 H new ATOM 0 HE2 LYS A 13 10.687 5.451 -5.540 1.00 15.00 H new ATOM 0 HE3 LYS A 13 10.353 3.866 -4.873 1.00 15.00 H new ATOM 0 HZ1 LYS A 13 12.314 4.500 -3.848 1.00 15.00 H new ATOM 0 HZ2 LYS A 13 12.870 3.498 -5.100 1.00 15.00 H new ATOM 0 HZ3 LYS A 13 12.971 5.185 -5.256 1.00 15.00 H new ATOM 208 N ASN A 14 10.429 7.247 -9.406 1.00 15.00 N ATOM 209 CA ASN A 14 11.624 8.036 -9.677 1.00 15.00 C ATOM 210 C ASN A 14 11.483 9.438 -9.095 1.00 15.00 C ATOM 211 O ASN A 14 10.370 9.933 -8.914 1.00 15.00 O ATOM 212 CB ASN A 14 11.876 8.118 -11.184 1.00 15.00 C ATOM 213 CG ASN A 14 12.855 7.065 -11.665 1.00 15.00 C ATOM 214 OD1 ASN A 14 14.032 7.349 -11.885 1.00 15.00 O ATOM 215 ND2 ASN A 14 12.370 5.840 -11.832 1.00 15.00 N ATOM 0 H ASN A 14 9.745 7.242 -10.162 1.00 15.00 H new ATOM 0 HA ASN A 14 12.474 7.545 -9.203 1.00 15.00 H new ATOM 0 HB2 ASN A 14 10.931 8.001 -11.714 1.00 15.00 H new ATOM 0 HB3 ASN A 14 12.260 9.107 -11.432 1.00 15.00 H new ATOM 0 HD21 ASN A 14 12.981 5.089 -12.155 1.00 15.00 H new ATOM 0 HD22 ASN A 14 11.387 5.650 -11.637 1.00 15.00 H new ATOM 222 N ASP A 15 12.618 10.066 -8.791 1.00 15.00 N ATOM 223 CA ASP A 15 12.637 11.411 -8.212 1.00 15.00 C ATOM 224 C ASP A 15 12.427 11.356 -6.701 1.00 15.00 C ATOM 225 O ASP A 15 13.168 11.978 -5.939 1.00 15.00 O ATOM 226 CB ASP A 15 11.572 12.304 -8.858 1.00 15.00 C ATOM 227 CG ASP A 15 11.884 13.780 -8.703 1.00 15.00 C ATOM 228 OD1 ASP A 15 12.793 14.271 -9.405 1.00 15.00 O ATOM 229 OD2 ASP A 15 11.220 14.444 -7.880 1.00 15.00 O ATOM 0 H ASP A 15 13.543 9.662 -8.937 1.00 15.00 H new ATOM 0 HA ASP A 15 13.618 11.842 -8.413 1.00 15.00 H new ATOM 0 HB2 ASP A 15 11.492 12.062 -9.918 1.00 15.00 H new ATOM 0 HB3 ASP A 15 10.602 12.091 -8.409 1.00 15.00 H new ATOM 234 N ASN A 16 11.416 10.605 -6.271 1.00 15.00 N ATOM 235 CA ASN A 16 11.114 10.466 -4.852 1.00 15.00 C ATOM 236 C ASN A 16 10.378 9.156 -4.586 1.00 15.00 C ATOM 237 O ASN A 16 9.617 8.679 -5.427 1.00 15.00 O ATOM 238 CB ASN A 16 10.273 11.648 -4.366 1.00 15.00 C ATOM 239 CG ASN A 16 11.116 12.730 -3.720 1.00 15.00 C ATOM 240 OD1 ASN A 16 11.041 13.899 -4.097 1.00 15.00 O ATOM 241 ND2 ASN A 16 11.926 12.343 -2.741 1.00 15.00 N ATOM 0 H ASN A 16 10.792 10.083 -6.887 1.00 15.00 H new ATOM 0 HA ASN A 16 12.055 10.455 -4.302 1.00 15.00 H new ATOM 0 HB2 ASN A 16 9.726 12.072 -5.208 1.00 15.00 H new ATOM 0 HB3 ASN A 16 9.532 11.293 -3.650 1.00 15.00 H new ATOM 0 HD21 ASN A 16 12.518 13.026 -2.269 1.00 15.00 H new ATOM 0 HD22 ASN A 16 11.956 11.363 -2.461 1.00 15.00 H new ATOM 248 N SER A 17 10.615 8.576 -3.414 1.00 15.00 N ATOM 249 CA SER A 17 9.980 7.317 -3.042 1.00 15.00 C ATOM 250 C SER A 17 8.615 7.551 -2.413 1.00 15.00 C ATOM 251 O SER A 17 8.086 8.662 -2.439 1.00 15.00 O ATOM 252 CB SER A 17 10.856 6.547 -2.057 1.00 15.00 C ATOM 253 OG SER A 17 11.609 5.544 -2.715 1.00 15.00 O ATOM 0 H SER A 17 11.242 8.958 -2.706 1.00 15.00 H new ATOM 0 HA SER A 17 9.853 6.735 -3.955 1.00 15.00 H new ATOM 0 HB2 SER A 17 11.530 7.237 -1.550 1.00 15.00 H new ATOM 0 HB3 SER A 17 10.230 6.091 -1.290 1.00 15.00 H new ATOM 0 HG SER A 17 12.565 5.714 -2.584 1.00 15.00 H new ATOM 259 N LEU A 18 8.055 6.492 -1.839 1.00 15.00 N ATOM 260 CA LEU A 18 6.760 6.572 -1.193 1.00 15.00 C ATOM 261 C LEU A 18 6.809 7.532 -0.007 1.00 15.00 C ATOM 262 O LEU A 18 7.734 8.336 0.105 1.00 15.00 O ATOM 263 CB LEU A 18 6.307 5.179 -0.744 1.00 15.00 C ATOM 264 CG LEU A 18 5.701 4.311 -1.847 1.00 15.00 C ATOM 265 CD1 LEU A 18 4.355 4.867 -2.284 1.00 15.00 C ATOM 266 CD2 LEU A 18 6.651 4.217 -3.032 1.00 15.00 C ATOM 0 H LEU A 18 8.483 5.567 -1.811 1.00 15.00 H new ATOM 0 HA LEU A 18 6.036 6.958 -1.911 1.00 15.00 H new ATOM 0 HB2 LEU A 18 7.163 4.655 -0.318 1.00 15.00 H new ATOM 0 HB3 LEU A 18 5.573 5.292 0.054 1.00 15.00 H new ATOM 0 HG LEU A 18 5.545 3.308 -1.450 1.00 15.00 H new ATOM 0 HD11 LEU A 18 3.939 4.236 -3.070 1.00 15.00 H new ATOM 0 HD12 LEU A 18 3.674 4.883 -1.433 1.00 15.00 H new ATOM 0 HD13 LEU A 18 4.486 5.880 -2.663 1.00 15.00 H new ATOM 0 HD21 LEU A 18 6.204 3.596 -3.808 1.00 15.00 H new ATOM 0 HD22 LEU A 18 6.838 5.215 -3.429 1.00 15.00 H new ATOM 0 HD23 LEU A 18 7.593 3.773 -2.709 1.00 15.00 H new ATOM 278 N GLY A 19 5.812 7.455 0.872 1.00 15.00 N ATOM 279 CA GLY A 19 5.777 8.340 2.023 1.00 15.00 C ATOM 280 C GLY A 19 4.885 7.841 3.137 1.00 15.00 C ATOM 281 O GLY A 19 4.456 8.622 3.979 1.00 15.00 O ATOM 0 H GLY A 19 5.033 6.800 0.808 1.00 15.00 H new ATOM 0 HA2 GLY A 19 6.790 8.465 2.407 1.00 15.00 H new ATOM 0 HA3 GLY A 19 5.433 9.324 1.705 1.00 15.00 H new ATOM 285 N ILE A 20 4.607 6.543 3.162 1.00 15.00 N ATOM 286 CA ILE A 20 3.777 5.980 4.219 1.00 15.00 C ATOM 287 C ILE A 20 4.567 5.049 5.116 1.00 15.00 C ATOM 288 O ILE A 20 5.323 4.203 4.637 1.00 15.00 O ATOM 289 CB ILE A 20 2.574 5.169 3.691 1.00 15.00 C ATOM 290 CG1 ILE A 20 3.046 3.809 3.162 1.00 15.00 C ATOM 291 CG2 ILE A 20 1.791 5.949 2.657 1.00 15.00 C ATOM 292 CD1 ILE A 20 2.044 3.085 2.291 1.00 15.00 C ATOM 0 H ILE A 20 4.939 5.869 2.472 1.00 15.00 H new ATOM 0 HA ILE A 20 3.417 6.850 4.768 1.00 15.00 H new ATOM 0 HB ILE A 20 1.888 4.984 4.517 1.00 15.00 H new ATOM 0 HG12 ILE A 20 3.963 3.955 2.592 1.00 15.00 H new ATOM 0 HG13 ILE A 20 3.296 3.172 4.010 1.00 15.00 H new ATOM 0 HG21 ILE A 20 0.952 5.348 2.307 1.00 15.00 H new ATOM 0 HG22 ILE A 20 1.417 6.870 3.103 1.00 15.00 H new ATOM 0 HG23 ILE A 20 2.440 6.191 1.815 1.00 15.00 H new ATOM 0 HD11 ILE A 20 2.466 2.134 1.964 1.00 15.00 H new ATOM 0 HD12 ILE A 20 1.133 2.901 2.860 1.00 15.00 H new ATOM 0 HD13 ILE A 20 1.810 3.697 1.420 1.00 15.00 H new ATOM 304 N SER A 21 4.315 5.136 6.405 1.00 15.00 N ATOM 305 CA SER A 21 4.930 4.219 7.337 1.00 15.00 C ATOM 306 C SER A 21 4.031 2.989 7.338 1.00 15.00 C ATOM 307 O SER A 21 2.849 3.091 7.648 1.00 15.00 O ATOM 308 CB SER A 21 5.036 4.845 8.731 1.00 15.00 C ATOM 309 OG SER A 21 5.234 3.854 9.725 1.00 15.00 O ATOM 0 H SER A 21 3.694 5.826 6.827 1.00 15.00 H new ATOM 0 HA SER A 21 5.950 3.965 7.051 1.00 15.00 H new ATOM 0 HB2 SER A 21 5.863 5.555 8.752 1.00 15.00 H new ATOM 0 HB3 SER A 21 4.128 5.407 8.950 1.00 15.00 H new ATOM 0 HG SER A 21 5.300 4.281 10.604 1.00 15.00 H new ATOM 315 N VAL A 22 4.551 1.852 6.898 1.00 15.00 N ATOM 316 CA VAL A 22 3.723 0.656 6.778 1.00 15.00 C ATOM 317 C VAL A 22 3.775 -0.246 8.003 1.00 15.00 C ATOM 318 O VAL A 22 4.765 -0.282 8.734 1.00 15.00 O ATOM 319 CB VAL A 22 4.121 -0.173 5.543 1.00 15.00 C ATOM 320 CG1 VAL A 22 3.904 0.622 4.266 1.00 15.00 C ATOM 321 CG2 VAL A 22 5.566 -0.627 5.651 1.00 15.00 C ATOM 0 H VAL A 22 5.525 1.730 6.622 1.00 15.00 H new ATOM 0 HA VAL A 22 2.703 1.026 6.677 1.00 15.00 H new ATOM 0 HB VAL A 22 3.483 -1.056 5.505 1.00 15.00 H new ATOM 0 HG11 VAL A 22 4.192 0.016 3.407 1.00 15.00 H new ATOM 0 HG12 VAL A 22 2.852 0.895 4.181 1.00 15.00 H new ATOM 0 HG13 VAL A 22 4.512 1.526 4.293 1.00 15.00 H new ATOM 0 HG21 VAL A 22 5.831 -1.212 4.770 1.00 15.00 H new ATOM 0 HG22 VAL A 22 6.217 0.245 5.717 1.00 15.00 H new ATOM 0 HG23 VAL A 22 5.689 -1.240 6.544 1.00 15.00 H new ATOM 331 N THR A 23 2.681 -0.980 8.203 1.00 15.00 N ATOM 332 CA THR A 23 2.554 -1.905 9.319 1.00 15.00 C ATOM 333 C THR A 23 1.654 -3.085 8.940 1.00 15.00 C ATOM 334 O THR A 23 1.153 -3.162 7.814 1.00 15.00 O ATOM 335 CB THR A 23 1.982 -1.178 10.539 1.00 15.00 C ATOM 336 OG1 THR A 23 2.000 0.224 10.341 1.00 15.00 O ATOM 337 CG2 THR A 23 2.736 -1.466 11.817 1.00 15.00 C ATOM 0 H THR A 23 1.862 -0.948 7.596 1.00 15.00 H new ATOM 0 HA THR A 23 3.543 -2.290 9.565 1.00 15.00 H new ATOM 0 HB THR A 23 0.963 -1.552 10.644 1.00 15.00 H new ATOM 0 HG1 THR A 23 2.260 0.669 11.175 1.00 15.00 H new ATOM 0 HG21 THR A 23 2.278 -0.919 12.641 1.00 15.00 H new ATOM 0 HG22 THR A 23 2.701 -2.535 12.027 1.00 15.00 H new ATOM 0 HG23 THR A 23 3.774 -1.152 11.706 1.00 15.00 H new ATOM 345 N GLY A 24 1.444 -3.998 9.887 1.00 15.00 N ATOM 346 CA GLY A 24 0.599 -5.154 9.633 1.00 15.00 C ATOM 347 C GLY A 24 1.245 -6.153 8.694 1.00 15.00 C ATOM 348 O GLY A 24 2.325 -6.669 8.976 1.00 15.00 O ATOM 0 H GLY A 24 1.844 -3.958 10.825 1.00 15.00 H new ATOM 0 HA2 GLY A 24 0.369 -5.646 10.578 1.00 15.00 H new ATOM 0 HA3 GLY A 24 -0.348 -4.821 9.208 1.00 15.00 H new ATOM 352 N GLY A 25 0.582 -6.421 7.572 1.00 15.00 N ATOM 353 CA GLY A 25 1.113 -7.354 6.593 1.00 15.00 C ATOM 354 C GLY A 25 1.168 -8.787 7.088 1.00 15.00 C ATOM 355 O GLY A 25 0.478 -9.658 6.557 1.00 15.00 O ATOM 0 H GLY A 25 -0.316 -6.007 7.323 1.00 15.00 H new ATOM 0 HA2 GLY A 25 0.499 -7.312 5.693 1.00 15.00 H new ATOM 0 HA3 GLY A 25 2.117 -7.038 6.309 1.00 15.00 H new ATOM 359 N VAL A 26 2.007 -9.032 8.095 1.00 15.00 N ATOM 360 CA VAL A 26 2.183 -10.371 8.670 1.00 15.00 C ATOM 361 C VAL A 26 0.897 -11.193 8.633 1.00 15.00 C ATOM 362 O VAL A 26 -0.188 -10.685 8.915 1.00 15.00 O ATOM 363 CB VAL A 26 2.687 -10.299 10.127 1.00 15.00 C ATOM 364 CG1 VAL A 26 4.200 -10.444 10.177 1.00 15.00 C ATOM 365 CG2 VAL A 26 2.249 -8.999 10.781 1.00 15.00 C ATOM 0 H VAL A 26 2.582 -8.314 8.535 1.00 15.00 H new ATOM 0 HA VAL A 26 2.930 -10.865 8.049 1.00 15.00 H new ATOM 0 HB VAL A 26 2.246 -11.126 10.684 1.00 15.00 H new ATOM 0 HG11 VAL A 26 4.537 -10.391 11.212 1.00 15.00 H new ATOM 0 HG12 VAL A 26 4.488 -11.405 9.751 1.00 15.00 H new ATOM 0 HG13 VAL A 26 4.662 -9.640 9.604 1.00 15.00 H new ATOM 0 HG21 VAL A 26 2.614 -8.967 11.808 1.00 15.00 H new ATOM 0 HG22 VAL A 26 2.658 -8.156 10.224 1.00 15.00 H new ATOM 0 HG23 VAL A 26 1.161 -8.940 10.781 1.00 15.00 H new ATOM 375 N ASN A 27 1.034 -12.467 8.279 1.00 15.00 N ATOM 376 CA ASN A 27 -0.107 -13.371 8.197 1.00 15.00 C ATOM 377 C ASN A 27 -0.557 -13.816 9.587 1.00 15.00 C ATOM 378 O ASN A 27 -0.563 -15.008 9.897 1.00 15.00 O ATOM 379 CB ASN A 27 0.252 -14.594 7.350 1.00 15.00 C ATOM 380 CG ASN A 27 0.759 -14.215 5.973 1.00 15.00 C ATOM 381 OD1 ASN A 27 1.278 -13.117 5.770 1.00 15.00 O ATOM 382 ND2 ASN A 27 0.610 -15.124 5.016 1.00 15.00 N ATOM 0 H ASN A 27 1.928 -12.898 8.043 1.00 15.00 H new ATOM 0 HA ASN A 27 -0.931 -12.835 7.726 1.00 15.00 H new ATOM 0 HB2 ASN A 27 1.013 -15.179 7.866 1.00 15.00 H new ATOM 0 HB3 ASN A 27 -0.626 -15.232 7.248 1.00 15.00 H new ATOM 0 HD21 ASN A 27 0.931 -14.925 4.069 1.00 15.00 H new ATOM 0 HD22 ASN A 27 0.174 -16.021 5.228 1.00 15.00 H new ATOM 389 N THR A 28 -0.934 -12.853 10.422 1.00 15.00 N ATOM 390 CA THR A 28 -1.385 -13.152 11.777 1.00 15.00 C ATOM 391 C THR A 28 -2.367 -12.094 12.269 1.00 15.00 C ATOM 392 O THR A 28 -3.434 -12.418 12.791 1.00 15.00 O ATOM 393 CB THR A 28 -0.190 -13.237 12.728 1.00 15.00 C ATOM 394 OG1 THR A 28 0.995 -13.550 12.017 1.00 15.00 O ATOM 395 CG2 THR A 28 -0.362 -14.277 13.814 1.00 15.00 C ATOM 0 H THR A 28 -0.936 -11.861 10.185 1.00 15.00 H new ATOM 0 HA THR A 28 -1.895 -14.115 11.759 1.00 15.00 H new ATOM 0 HB THR A 28 -0.122 -12.255 13.196 1.00 15.00 H new ATOM 0 HG1 THR A 28 1.748 -13.598 12.642 1.00 15.00 H new ATOM 0 HG21 THR A 28 0.521 -14.285 14.453 1.00 15.00 H new ATOM 0 HG22 THR A 28 -1.241 -14.036 14.412 1.00 15.00 H new ATOM 0 HG23 THR A 28 -0.490 -15.260 13.360 1.00 15.00 H new ATOM 403 N SER A 29 -1.999 -10.829 12.101 1.00 15.00 N ATOM 404 CA SER A 29 -2.846 -9.722 12.529 1.00 15.00 C ATOM 405 C SER A 29 -3.840 -9.341 11.436 1.00 15.00 C ATOM 406 O SER A 29 -4.953 -8.901 11.722 1.00 15.00 O ATOM 407 CB SER A 29 -1.988 -8.511 12.899 1.00 15.00 C ATOM 408 OG SER A 29 -2.773 -7.490 13.489 1.00 15.00 O ATOM 0 H SER A 29 -1.119 -10.544 11.671 1.00 15.00 H new ATOM 0 HA SER A 29 -3.406 -10.044 13.407 1.00 15.00 H new ATOM 0 HB2 SER A 29 -1.203 -8.816 13.591 1.00 15.00 H new ATOM 0 HB3 SER A 29 -1.495 -8.125 12.007 1.00 15.00 H new ATOM 0 HG SER A 29 -2.201 -6.728 13.718 1.00 15.00 H new ATOM 414 N VAL A 30 -3.429 -9.512 10.184 1.00 15.00 N ATOM 415 CA VAL A 30 -4.284 -9.185 9.049 1.00 15.00 C ATOM 416 C VAL A 30 -5.165 -10.369 8.662 1.00 15.00 C ATOM 417 O VAL A 30 -5.162 -11.403 9.331 1.00 15.00 O ATOM 418 CB VAL A 30 -3.451 -8.754 7.825 1.00 15.00 C ATOM 419 CG1 VAL A 30 -2.622 -7.522 8.153 1.00 15.00 C ATOM 420 CG2 VAL A 30 -2.561 -9.894 7.349 1.00 15.00 C ATOM 0 H VAL A 30 -2.510 -9.875 9.930 1.00 15.00 H new ATOM 0 HA VAL A 30 -4.917 -8.354 9.359 1.00 15.00 H new ATOM 0 HB VAL A 30 -4.136 -8.501 7.016 1.00 15.00 H new ATOM 0 HG11 VAL A 30 -2.040 -7.231 7.278 1.00 15.00 H new ATOM 0 HG12 VAL A 30 -3.283 -6.704 8.437 1.00 15.00 H new ATOM 0 HG13 VAL A 30 -1.947 -7.747 8.979 1.00 15.00 H new ATOM 0 HG21 VAL A 30 -1.983 -9.567 6.485 1.00 15.00 H new ATOM 0 HG22 VAL A 30 -1.883 -10.185 8.151 1.00 15.00 H new ATOM 0 HG23 VAL A 30 -3.180 -10.747 7.070 1.00 15.00 H new ATOM 430 N ARG A 31 -5.921 -10.210 7.580 1.00 15.00 N ATOM 431 CA ARG A 31 -6.810 -11.264 7.105 1.00 15.00 C ATOM 432 C ARG A 31 -6.035 -12.543 6.807 1.00 15.00 C ATOM 433 O ARG A 31 -6.286 -13.586 7.411 1.00 15.00 O ATOM 434 CB ARG A 31 -7.555 -10.803 5.850 1.00 15.00 C ATOM 435 CG ARG A 31 -8.892 -11.497 5.647 1.00 15.00 C ATOM 436 CD ARG A 31 -9.897 -10.581 4.967 1.00 15.00 C ATOM 437 NE ARG A 31 -11.274 -10.990 5.230 1.00 15.00 N ATOM 438 CZ ARG A 31 -11.926 -10.717 6.358 1.00 15.00 C ATOM 439 NH1 ARG A 31 -11.328 -10.036 7.329 1.00 15.00 N ATOM 440 NH2 ARG A 31 -13.177 -11.125 6.517 1.00 15.00 N ATOM 0 H ARG A 31 -5.935 -9.361 7.015 1.00 15.00 H new ATOM 0 HA ARG A 31 -7.532 -11.476 7.894 1.00 15.00 H new ATOM 0 HB2 ARG A 31 -7.719 -9.727 5.910 1.00 15.00 H new ATOM 0 HB3 ARG A 31 -6.926 -10.982 4.978 1.00 15.00 H new ATOM 0 HG2 ARG A 31 -8.750 -12.394 5.044 1.00 15.00 H new ATOM 0 HG3 ARG A 31 -9.286 -11.820 6.611 1.00 15.00 H new ATOM 0 HD2 ARG A 31 -9.749 -9.559 5.315 1.00 15.00 H new ATOM 0 HD3 ARG A 31 -9.718 -10.581 3.892 1.00 15.00 H new ATOM 0 HE ARG A 31 -11.765 -11.516 4.507 1.00 15.00 H new ATOM 0 HH11 ARG A 31 -10.365 -9.720 7.212 1.00 15.00 H new ATOM 0 HH12 ARG A 31 -11.832 -9.829 8.192 1.00 15.00 H new ATOM 0 HH21 ARG A 31 -13.641 -11.649 5.775 1.00 15.00 H new ATOM 0 HH22 ARG A 31 -13.676 -10.915 7.382 1.00 15.00 H new ATOM 454 N HIS A 32 -5.094 -12.459 5.871 1.00 15.00 N ATOM 455 CA HIS A 32 -4.287 -13.615 5.495 1.00 15.00 C ATOM 456 C HIS A 32 -2.816 -13.237 5.353 1.00 15.00 C ATOM 457 O HIS A 32 -1.955 -13.798 6.028 1.00 15.00 O ATOM 458 CB HIS A 32 -4.800 -14.214 4.185 1.00 15.00 C ATOM 459 CG HIS A 32 -6.065 -14.999 4.341 1.00 15.00 C ATOM 460 ND1 HIS A 32 -7.178 -14.797 3.552 1.00 15.00 N ATOM 461 CD2 HIS A 32 -6.391 -15.992 5.202 1.00 15.00 C ATOM 462 CE1 HIS A 32 -8.134 -15.630 3.922 1.00 15.00 C ATOM 463 NE2 HIS A 32 -7.682 -16.366 4.920 1.00 15.00 N ATOM 0 H HIS A 32 -4.872 -11.605 5.360 1.00 15.00 H new ATOM 0 HA HIS A 32 -4.374 -14.358 6.288 1.00 15.00 H new ATOM 0 HB2 HIS A 32 -4.967 -13.410 3.468 1.00 15.00 H new ATOM 0 HB3 HIS A 32 -4.030 -14.861 3.765 1.00 15.00 H new ATOM 0 HD2 HIS A 32 -5.755 -16.411 5.967 1.00 15.00 H new ATOM 0 HE1 HIS A 32 -9.118 -15.697 3.483 1.00 15.00 H new ATOM 0 HE2 HIS A 32 -8.207 -17.095 5.404 1.00 15.00 H new ATOM 472 N GLY A 33 -2.534 -12.287 4.467 1.00 15.00 N ATOM 473 CA GLY A 33 -1.164 -11.856 4.249 1.00 15.00 C ATOM 474 C GLY A 33 -1.078 -10.567 3.455 1.00 15.00 C ATOM 475 O GLY A 33 -0.073 -10.303 2.795 1.00 15.00 O ATOM 0 H GLY A 33 -3.230 -11.807 3.896 1.00 15.00 H new ATOM 0 HA2 GLY A 33 -0.673 -11.719 5.212 1.00 15.00 H new ATOM 0 HA3 GLY A 33 -0.620 -12.640 3.722 1.00 15.00 H new ATOM 479 N GLY A 34 -2.126 -9.754 3.531 1.00 15.00 N ATOM 480 CA GLY A 34 -2.130 -8.489 2.825 1.00 15.00 C ATOM 481 C GLY A 34 -1.576 -7.386 3.696 1.00 15.00 C ATOM 482 O GLY A 34 -1.645 -7.475 4.922 1.00 15.00 O ATOM 0 H GLY A 34 -2.971 -9.949 4.068 1.00 15.00 H new ATOM 0 HA2 GLY A 34 -1.535 -8.573 1.915 1.00 15.00 H new ATOM 0 HA3 GLY A 34 -3.147 -8.241 2.520 1.00 15.00 H new ATOM 486 N ILE A 35 -1.014 -6.349 3.088 1.00 15.00 N ATOM 487 CA ILE A 35 -0.450 -5.262 3.874 1.00 15.00 C ATOM 488 C ILE A 35 -1.475 -4.172 4.140 1.00 15.00 C ATOM 489 O ILE A 35 -2.417 -3.975 3.373 1.00 15.00 O ATOM 490 CB ILE A 35 0.812 -4.655 3.214 1.00 15.00 C ATOM 491 CG1 ILE A 35 1.999 -4.733 4.190 1.00 15.00 C ATOM 492 CG2 ILE A 35 0.567 -3.219 2.754 1.00 15.00 C ATOM 493 CD1 ILE A 35 2.840 -3.473 4.263 1.00 15.00 C ATOM 0 H ILE A 35 -0.937 -6.239 2.077 1.00 15.00 H new ATOM 0 HA ILE A 35 -0.153 -5.699 4.827 1.00 15.00 H new ATOM 0 HB ILE A 35 1.051 -5.237 2.324 1.00 15.00 H new ATOM 0 HG12 ILE A 35 1.619 -4.959 5.186 1.00 15.00 H new ATOM 0 HG13 ILE A 35 2.639 -5.565 3.897 1.00 15.00 H new ATOM 0 HG21 ILE A 35 1.474 -2.824 2.295 1.00 15.00 H new ATOM 0 HG22 ILE A 35 -0.244 -3.204 2.026 1.00 15.00 H new ATOM 0 HG23 ILE A 35 0.296 -2.603 3.612 1.00 15.00 H new ATOM 0 HD11 ILE A 35 3.653 -3.619 4.975 1.00 15.00 H new ATOM 0 HD12 ILE A 35 3.254 -3.255 3.279 1.00 15.00 H new ATOM 0 HD13 ILE A 35 2.218 -2.639 4.588 1.00 15.00 H new ATOM 505 N TYR A 36 -1.264 -3.463 5.234 1.00 15.00 N ATOM 506 CA TYR A 36 -2.138 -2.373 5.634 1.00 15.00 C ATOM 507 C TYR A 36 -1.302 -1.178 6.045 1.00 15.00 C ATOM 508 O TYR A 36 -0.645 -1.196 7.086 1.00 15.00 O ATOM 509 CB TYR A 36 -3.049 -2.813 6.780 1.00 15.00 C ATOM 510 CG TYR A 36 -4.068 -3.848 6.363 1.00 15.00 C ATOM 511 CD1 TYR A 36 -3.695 -5.169 6.147 1.00 15.00 C ATOM 512 CD2 TYR A 36 -5.401 -3.503 6.179 1.00 15.00 C ATOM 513 CE1 TYR A 36 -4.622 -6.116 5.759 1.00 15.00 C ATOM 514 CE2 TYR A 36 -6.334 -4.446 5.792 1.00 15.00 C ATOM 515 CZ TYR A 36 -5.939 -5.751 5.584 1.00 15.00 C ATOM 516 OH TYR A 36 -6.865 -6.692 5.198 1.00 15.00 O ATOM 0 H TYR A 36 -0.483 -3.625 5.870 1.00 15.00 H new ATOM 0 HA TYR A 36 -2.768 -2.091 4.791 1.00 15.00 H new ATOM 0 HB2 TYR A 36 -2.438 -3.218 7.587 1.00 15.00 H new ATOM 0 HB3 TYR A 36 -3.568 -1.941 7.179 1.00 15.00 H new ATOM 0 HD1 TYR A 36 -2.664 -5.460 6.285 1.00 15.00 H new ATOM 0 HD2 TYR A 36 -5.713 -2.482 6.341 1.00 15.00 H new ATOM 0 HE1 TYR A 36 -4.316 -7.138 5.593 1.00 15.00 H new ATOM 0 HE2 TYR A 36 -7.367 -4.163 5.653 1.00 15.00 H new ATOM 0 HH TYR A 36 -7.744 -6.454 5.561 1.00 15.00 H new ATOM 526 N VAL A 37 -1.308 -0.144 5.213 1.00 15.00 N ATOM 527 CA VAL A 37 -0.520 1.045 5.498 1.00 15.00 C ATOM 528 C VAL A 37 -0.860 1.598 6.865 1.00 15.00 C ATOM 529 O VAL A 37 -1.997 1.510 7.320 1.00 15.00 O ATOM 530 CB VAL A 37 -0.688 2.171 4.430 1.00 15.00 C ATOM 531 CG1 VAL A 37 -1.138 1.621 3.092 1.00 15.00 C ATOM 532 CG2 VAL A 37 -1.636 3.278 4.873 1.00 15.00 C ATOM 0 H VAL A 37 -1.843 -0.105 4.346 1.00 15.00 H new ATOM 0 HA VAL A 37 0.521 0.724 5.470 1.00 15.00 H new ATOM 0 HB VAL A 37 0.304 2.608 4.318 1.00 15.00 H new ATOM 0 HG11 VAL A 37 -1.242 2.439 2.379 1.00 15.00 H new ATOM 0 HG12 VAL A 37 -0.398 0.910 2.723 1.00 15.00 H new ATOM 0 HG13 VAL A 37 -2.098 1.118 3.210 1.00 15.00 H new ATOM 0 HG21 VAL A 37 -1.710 4.030 4.087 1.00 15.00 H new ATOM 0 HG22 VAL A 37 -2.623 2.857 5.066 1.00 15.00 H new ATOM 0 HG23 VAL A 37 -1.255 3.741 5.783 1.00 15.00 H new ATOM 542 N LYS A 38 0.123 2.197 7.503 1.00 15.00 N ATOM 543 CA LYS A 38 -0.106 2.795 8.799 1.00 15.00 C ATOM 544 C LYS A 38 -0.619 4.207 8.590 1.00 15.00 C ATOM 545 O LYS A 38 -1.594 4.620 9.217 1.00 15.00 O ATOM 546 CB LYS A 38 1.163 2.757 9.674 1.00 15.00 C ATOM 547 CG LYS A 38 1.816 4.109 9.964 1.00 15.00 C ATOM 548 CD LYS A 38 2.103 4.280 11.448 1.00 15.00 C ATOM 549 CE LYS A 38 1.067 5.170 12.117 1.00 15.00 C ATOM 550 NZ LYS A 38 1.440 5.499 13.520 1.00 15.00 N ATOM 0 H LYS A 38 1.076 2.282 7.150 1.00 15.00 H new ATOM 0 HA LYS A 38 -0.856 2.221 9.343 1.00 15.00 H new ATOM 0 HB2 LYS A 38 0.912 2.286 10.624 1.00 15.00 H new ATOM 0 HB3 LYS A 38 1.898 2.118 9.186 1.00 15.00 H new ATOM 0 HG2 LYS A 38 2.745 4.195 9.400 1.00 15.00 H new ATOM 0 HG3 LYS A 38 1.161 4.911 9.624 1.00 15.00 H new ATOM 0 HD2 LYS A 38 2.113 3.304 11.933 1.00 15.00 H new ATOM 0 HD3 LYS A 38 3.095 4.712 11.580 1.00 15.00 H new ATOM 0 HE2 LYS A 38 0.957 6.091 11.545 1.00 15.00 H new ATOM 0 HE3 LYS A 38 0.098 4.670 12.107 1.00 15.00 H new ATOM 0 HZ1 LYS A 38 0.708 6.107 13.940 1.00 15.00 H new ATOM 0 HZ2 LYS A 38 1.521 4.622 14.073 1.00 15.00 H new ATOM 0 HZ3 LYS A 38 2.352 5.999 13.529 1.00 15.00 H new ATOM 564 N ALA A 39 0.031 4.944 7.687 1.00 15.00 N ATOM 565 CA ALA A 39 -0.401 6.306 7.393 1.00 15.00 C ATOM 566 C ALA A 39 0.372 6.917 6.234 1.00 15.00 C ATOM 567 O ALA A 39 1.365 6.361 5.778 1.00 15.00 O ATOM 568 CB ALA A 39 -0.297 7.170 8.633 1.00 15.00 C ATOM 0 H ALA A 39 0.843 4.626 7.157 1.00 15.00 H new ATOM 0 HA ALA A 39 -1.445 6.260 7.084 1.00 15.00 H new ATOM 0 HB1 ALA A 39 -0.623 8.183 8.399 1.00 15.00 H new ATOM 0 HB2 ALA A 39 -0.931 6.758 9.418 1.00 15.00 H new ATOM 0 HB3 ALA A 39 0.737 7.191 8.976 1.00 15.00 H new ATOM 574 N VAL A 40 -0.074 8.085 5.783 1.00 15.00 N ATOM 575 CA VAL A 40 0.593 8.789 4.690 1.00 15.00 C ATOM 576 C VAL A 40 1.531 9.851 5.257 1.00 15.00 C ATOM 577 O VAL A 40 1.181 11.027 5.354 1.00 15.00 O ATOM 578 CB VAL A 40 -0.409 9.445 3.708 1.00 15.00 C ATOM 579 CG1 VAL A 40 -0.378 8.734 2.363 1.00 15.00 C ATOM 580 CG2 VAL A 40 -1.822 9.443 4.276 1.00 15.00 C ATOM 0 H VAL A 40 -0.893 8.565 6.156 1.00 15.00 H new ATOM 0 HA VAL A 40 1.161 8.049 4.126 1.00 15.00 H new ATOM 0 HB VAL A 40 -0.106 10.482 3.565 1.00 15.00 H new ATOM 0 HG11 VAL A 40 -1.088 9.207 1.685 1.00 15.00 H new ATOM 0 HG12 VAL A 40 0.625 8.798 1.941 1.00 15.00 H new ATOM 0 HG13 VAL A 40 -0.649 7.687 2.499 1.00 15.00 H new ATOM 0 HG21 VAL A 40 -2.501 9.910 3.563 1.00 15.00 H new ATOM 0 HG22 VAL A 40 -2.139 8.416 4.460 1.00 15.00 H new ATOM 0 HG23 VAL A 40 -1.839 10.001 5.212 1.00 15.00 H new ATOM 590 N ILE A 41 2.718 9.404 5.659 1.00 15.00 N ATOM 591 CA ILE A 41 3.727 10.271 6.259 1.00 15.00 C ATOM 592 C ILE A 41 3.955 11.559 5.469 1.00 15.00 C ATOM 593 O ILE A 41 4.335 11.521 4.301 1.00 15.00 O ATOM 594 CB ILE A 41 5.066 9.513 6.434 1.00 15.00 C ATOM 595 CG1 ILE A 41 4.880 8.312 7.365 1.00 15.00 C ATOM 596 CG2 ILE A 41 6.161 10.427 6.955 1.00 15.00 C ATOM 597 CD1 ILE A 41 4.181 8.648 8.665 1.00 15.00 C ATOM 0 H ILE A 41 3.007 8.429 5.578 1.00 15.00 H new ATOM 0 HA ILE A 41 3.340 10.560 7.236 1.00 15.00 H new ATOM 0 HB ILE A 41 5.376 9.154 5.453 1.00 15.00 H new ATOM 0 HG12 ILE A 41 4.307 7.545 6.843 1.00 15.00 H new ATOM 0 HG13 ILE A 41 5.857 7.883 7.589 1.00 15.00 H new ATOM 0 HG21 ILE A 41 7.086 9.861 7.065 1.00 15.00 H new ATOM 0 HG22 ILE A 41 6.318 11.245 6.251 1.00 15.00 H new ATOM 0 HG23 ILE A 41 5.866 10.833 7.923 1.00 15.00 H new ATOM 0 HD11 ILE A 41 4.086 7.747 9.271 1.00 15.00 H new ATOM 0 HD12 ILE A 41 4.763 9.391 9.209 1.00 15.00 H new ATOM 0 HD13 ILE A 41 3.190 9.048 8.452 1.00 15.00 H new ATOM 609 N PRO A 42 3.734 12.723 6.124 1.00 15.00 N ATOM 610 CA PRO A 42 3.915 14.045 5.506 1.00 15.00 C ATOM 611 C PRO A 42 5.373 14.341 5.160 1.00 15.00 C ATOM 612 O PRO A 42 5.957 15.299 5.668 1.00 15.00 O ATOM 613 CB PRO A 42 3.418 15.017 6.581 1.00 15.00 C ATOM 614 CG PRO A 42 3.563 14.274 7.861 1.00 15.00 C ATOM 615 CD PRO A 42 3.295 12.836 7.529 1.00 15.00 C ATOM 0 HA PRO A 42 3.379 14.120 4.560 1.00 15.00 H new ATOM 0 HB2 PRO A 42 4.006 15.934 6.587 1.00 15.00 H new ATOM 0 HB3 PRO A 42 2.381 15.304 6.406 1.00 15.00 H new ATOM 0 HG2 PRO A 42 4.563 14.400 8.276 1.00 15.00 H new ATOM 0 HG3 PRO A 42 2.859 14.641 8.608 1.00 15.00 H new ATOM 0 HD2 PRO A 42 3.853 12.162 8.180 1.00 15.00 H new ATOM 0 HD3 PRO A 42 2.240 12.587 7.642 1.00 15.00 H new ATOM 623 N GLN A 43 5.959 13.520 4.293 1.00 15.00 N ATOM 624 CA GLN A 43 7.347 13.710 3.889 1.00 15.00 C ATOM 625 C GLN A 43 7.646 13.020 2.558 1.00 15.00 C ATOM 626 O GLN A 43 8.357 13.565 1.715 1.00 15.00 O ATOM 627 CB GLN A 43 8.290 13.181 4.973 1.00 15.00 C ATOM 628 CG GLN A 43 8.898 14.274 5.836 1.00 15.00 C ATOM 629 CD GLN A 43 9.540 13.732 7.098 1.00 15.00 C ATOM 630 OE1 GLN A 43 10.730 13.416 7.116 1.00 15.00 O ATOM 631 NE2 GLN A 43 8.753 13.621 8.161 1.00 15.00 N ATOM 0 H GLN A 43 5.497 12.721 3.859 1.00 15.00 H new ATOM 0 HA GLN A 43 7.509 14.780 3.757 1.00 15.00 H new ATOM 0 HB2 GLN A 43 7.743 12.487 5.612 1.00 15.00 H new ATOM 0 HB3 GLN A 43 9.092 12.614 4.500 1.00 15.00 H new ATOM 0 HG2 GLN A 43 9.646 14.816 5.256 1.00 15.00 H new ATOM 0 HG3 GLN A 43 8.123 14.991 6.106 1.00 15.00 H new ATOM 0 HE21 GLN A 43 7.772 13.895 8.100 1.00 15.00 H new ATOM 0 HE22 GLN A 43 9.129 13.262 9.039 1.00 15.00 H new ATOM 640 N GLY A 44 7.114 11.814 2.381 1.00 15.00 N ATOM 641 CA GLY A 44 7.356 11.071 1.157 1.00 15.00 C ATOM 642 C GLY A 44 6.370 11.389 0.046 1.00 15.00 C ATOM 643 O GLY A 44 5.301 11.950 0.287 1.00 15.00 O ATOM 0 H GLY A 44 6.521 11.339 3.062 1.00 15.00 H new ATOM 0 HA2 GLY A 44 8.366 11.284 0.807 1.00 15.00 H new ATOM 0 HA3 GLY A 44 7.313 10.004 1.375 1.00 15.00 H new ATOM 647 N ALA A 45 6.743 11.019 -1.179 1.00 15.00 N ATOM 648 CA ALA A 45 5.915 11.255 -2.361 1.00 15.00 C ATOM 649 C ALA A 45 4.494 10.713 -2.204 1.00 15.00 C ATOM 650 O ALA A 45 3.606 11.062 -2.982 1.00 15.00 O ATOM 651 CB ALA A 45 6.571 10.632 -3.583 1.00 15.00 C ATOM 0 H ALA A 45 7.625 10.548 -1.379 1.00 15.00 H new ATOM 0 HA ALA A 45 5.835 12.335 -2.486 1.00 15.00 H new ATOM 0 HB1 ALA A 45 5.950 10.811 -4.461 1.00 15.00 H new ATOM 0 HB2 ALA A 45 7.553 11.079 -3.736 1.00 15.00 H new ATOM 0 HB3 ALA A 45 6.681 9.559 -3.429 1.00 15.00 H new ATOM 657 N ALA A 46 4.278 9.858 -1.212 1.00 15.00 N ATOM 658 CA ALA A 46 2.960 9.280 -0.988 1.00 15.00 C ATOM 659 C ALA A 46 1.998 10.319 -0.428 1.00 15.00 C ATOM 660 O ALA A 46 0.965 10.610 -1.034 1.00 15.00 O ATOM 661 CB ALA A 46 3.059 8.091 -0.046 1.00 15.00 C ATOM 0 H ALA A 46 4.994 9.551 -0.554 1.00 15.00 H new ATOM 0 HA ALA A 46 2.571 8.938 -1.947 1.00 15.00 H new ATOM 0 HB1 ALA A 46 2.067 7.669 0.113 1.00 15.00 H new ATOM 0 HB2 ALA A 46 3.710 7.334 -0.483 1.00 15.00 H new ATOM 0 HB3 ALA A 46 3.472 8.417 0.909 1.00 15.00 H new ATOM 667 N GLU A 47 2.347 10.877 0.728 1.00 15.00 N ATOM 668 CA GLU A 47 1.520 11.894 1.370 1.00 15.00 C ATOM 669 C GLU A 47 1.292 13.080 0.433 1.00 15.00 C ATOM 670 O GLU A 47 0.185 13.610 0.341 1.00 15.00 O ATOM 671 CB GLU A 47 2.180 12.383 2.668 1.00 15.00 C ATOM 672 CG GLU A 47 3.373 13.292 2.419 1.00 15.00 C ATOM 673 CD GLU A 47 2.972 14.741 2.221 1.00 15.00 C ATOM 674 OE1 GLU A 47 1.902 15.136 2.730 1.00 15.00 O ATOM 675 OE2 GLU A 47 3.729 15.481 1.558 1.00 15.00 O ATOM 0 H GLU A 47 3.198 10.642 1.240 1.00 15.00 H new ATOM 0 HA GLU A 47 0.557 11.442 1.606 1.00 15.00 H new ATOM 0 HB2 GLU A 47 1.442 12.917 3.266 1.00 15.00 H new ATOM 0 HB3 GLU A 47 2.502 11.521 3.253 1.00 15.00 H new ATOM 0 HG2 GLU A 47 4.061 13.221 3.262 1.00 15.00 H new ATOM 0 HG3 GLU A 47 3.912 12.944 1.538 1.00 15.00 H new ATOM 682 N SER A 48 2.358 13.497 -0.251 1.00 15.00 N ATOM 683 CA SER A 48 2.289 14.628 -1.171 1.00 15.00 C ATOM 684 C SER A 48 1.176 14.425 -2.185 1.00 15.00 C ATOM 685 O SER A 48 0.143 15.093 -2.129 1.00 15.00 O ATOM 686 CB SER A 48 3.626 14.810 -1.892 1.00 15.00 C ATOM 687 OG SER A 48 4.463 15.716 -1.194 1.00 15.00 O ATOM 0 H SER A 48 3.280 13.066 -0.184 1.00 15.00 H new ATOM 0 HA SER A 48 2.074 15.527 -0.592 1.00 15.00 H new ATOM 0 HB2 SER A 48 4.126 13.846 -1.986 1.00 15.00 H new ATOM 0 HB3 SER A 48 3.450 15.177 -2.903 1.00 15.00 H new ATOM 0 HG SER A 48 4.256 15.682 -0.237 1.00 15.00 H new ATOM 693 N ASP A 49 1.380 13.487 -3.099 1.00 15.00 N ATOM 694 CA ASP A 49 0.375 13.190 -4.106 1.00 15.00 C ATOM 695 C ASP A 49 -0.901 12.716 -3.425 1.00 15.00 C ATOM 696 O ASP A 49 -2.009 13.066 -3.832 1.00 15.00 O ATOM 697 CB ASP A 49 0.886 12.122 -5.073 1.00 15.00 C ATOM 698 CG ASP A 49 0.545 12.437 -6.516 1.00 15.00 C ATOM 699 OD1 ASP A 49 -0.525 13.034 -6.757 1.00 15.00 O ATOM 700 OD2 ASP A 49 1.349 12.087 -7.406 1.00 15.00 O ATOM 0 H ASP A 49 2.227 12.922 -3.163 1.00 15.00 H new ATOM 0 HA ASP A 49 0.165 14.095 -4.676 1.00 15.00 H new ATOM 0 HB2 ASP A 49 1.967 12.030 -4.970 1.00 15.00 H new ATOM 0 HB3 ASP A 49 0.457 11.157 -4.804 1.00 15.00 H new ATOM 705 N GLY A 50 -0.726 11.917 -2.377 1.00 15.00 N ATOM 706 CA GLY A 50 -1.857 11.399 -1.637 1.00 15.00 C ATOM 707 C GLY A 50 -2.472 10.200 -2.325 1.00 15.00 C ATOM 708 O GLY A 50 -3.694 10.052 -2.358 1.00 15.00 O ATOM 0 H GLY A 50 0.185 11.619 -2.027 1.00 15.00 H new ATOM 0 HA2 GLY A 50 -1.538 11.119 -0.633 1.00 15.00 H new ATOM 0 HA3 GLY A 50 -2.609 12.181 -1.526 1.00 15.00 H new ATOM 712 N ARG A 51 -1.623 9.350 -2.892 1.00 15.00 N ATOM 713 CA ARG A 51 -2.092 8.164 -3.602 1.00 15.00 C ATOM 714 C ARG A 51 -2.450 7.048 -2.629 1.00 15.00 C ATOM 715 O ARG A 51 -3.368 6.266 -2.875 1.00 15.00 O ATOM 716 CB ARG A 51 -1.026 7.669 -4.582 1.00 15.00 C ATOM 717 CG ARG A 51 -1.008 8.420 -5.903 1.00 15.00 C ATOM 718 CD ARG A 51 -1.986 7.818 -6.898 1.00 15.00 C ATOM 719 NE ARG A 51 -2.134 8.648 -8.091 1.00 15.00 N ATOM 720 CZ ARG A 51 -2.733 9.836 -8.097 1.00 15.00 C ATOM 721 NH1 ARG A 51 -3.242 10.336 -6.978 1.00 15.00 N ATOM 722 NH2 ARG A 51 -2.823 10.526 -9.226 1.00 15.00 N ATOM 0 H ARG A 51 -0.609 9.459 -2.874 1.00 15.00 H new ATOM 0 HA ARG A 51 -2.988 8.443 -4.157 1.00 15.00 H new ATOM 0 HB2 ARG A 51 -0.046 7.756 -4.112 1.00 15.00 H new ATOM 0 HB3 ARG A 51 -1.192 6.610 -4.780 1.00 15.00 H new ATOM 0 HG2 ARG A 51 -1.260 9.467 -5.731 1.00 15.00 H new ATOM 0 HG3 ARG A 51 -0.002 8.399 -6.321 1.00 15.00 H new ATOM 0 HD2 ARG A 51 -1.643 6.825 -7.188 1.00 15.00 H new ATOM 0 HD3 ARG A 51 -2.958 7.693 -6.421 1.00 15.00 H new ATOM 0 HE ARG A 51 -1.756 8.296 -8.971 1.00 15.00 H new ATOM 0 HH11 ARG A 51 -3.175 9.809 -6.107 1.00 15.00 H new ATOM 0 HH12 ARG A 51 -3.700 11.247 -6.989 1.00 15.00 H new ATOM 0 HH21 ARG A 51 -2.433 10.146 -10.089 1.00 15.00 H new ATOM 0 HH22 ARG A 51 -3.282 11.437 -9.232 1.00 15.00 H new ATOM 736 N ILE A 52 -1.716 6.977 -1.528 1.00 15.00 N ATOM 737 CA ILE A 52 -1.950 5.954 -0.519 1.00 15.00 C ATOM 738 C ILE A 52 -2.931 6.443 0.546 1.00 15.00 C ATOM 739 O ILE A 52 -3.119 7.645 0.732 1.00 15.00 O ATOM 740 CB ILE A 52 -0.626 5.531 0.154 1.00 15.00 C ATOM 741 CG1 ILE A 52 0.229 4.722 -0.824 1.00 15.00 C ATOM 742 CG2 ILE A 52 -0.891 4.728 1.420 1.00 15.00 C ATOM 743 CD1 ILE A 52 -0.358 3.369 -1.164 1.00 15.00 C ATOM 0 H ILE A 52 -0.952 7.617 -1.310 1.00 15.00 H new ATOM 0 HA ILE A 52 -2.383 5.091 -1.025 1.00 15.00 H new ATOM 0 HB ILE A 52 -0.081 6.432 0.434 1.00 15.00 H new ATOM 0 HG12 ILE A 52 0.356 5.295 -1.742 1.00 15.00 H new ATOM 0 HG13 ILE A 52 1.221 4.581 -0.396 1.00 15.00 H new ATOM 0 HG21 ILE A 52 0.057 4.442 1.875 1.00 15.00 H new ATOM 0 HG22 ILE A 52 -1.462 5.335 2.123 1.00 15.00 H new ATOM 0 HG23 ILE A 52 -1.458 3.831 1.170 1.00 15.00 H new ATOM 0 HD11 ILE A 52 0.301 2.851 -1.861 1.00 15.00 H new ATOM 0 HD12 ILE A 52 -0.460 2.778 -0.254 1.00 15.00 H new ATOM 0 HD13 ILE A 52 -1.338 3.502 -1.622 1.00 15.00 H new ATOM 755 N HIS A 53 -3.541 5.493 1.247 1.00 15.00 N ATOM 756 CA HIS A 53 -4.493 5.804 2.305 1.00 15.00 C ATOM 757 C HIS A 53 -4.335 4.844 3.465 1.00 15.00 C ATOM 758 O HIS A 53 -4.123 3.646 3.284 1.00 15.00 O ATOM 759 CB HIS A 53 -5.928 5.773 1.776 1.00 15.00 C ATOM 760 CG HIS A 53 -6.112 6.530 0.497 1.00 15.00 C ATOM 761 ND1 HIS A 53 -6.063 5.932 -0.745 1.00 15.00 N ATOM 762 CD2 HIS A 53 -6.346 7.844 0.270 1.00 15.00 C ATOM 763 CE1 HIS A 53 -6.258 6.846 -1.680 1.00 15.00 C ATOM 764 NE2 HIS A 53 -6.433 8.014 -1.090 1.00 15.00 N ATOM 0 H HIS A 53 -3.391 4.495 1.099 1.00 15.00 H new ATOM 0 HA HIS A 53 -4.283 6.813 2.661 1.00 15.00 H new ATOM 0 HB2 HIS A 53 -6.227 4.736 1.621 1.00 15.00 H new ATOM 0 HB3 HIS A 53 -6.594 6.187 2.533 1.00 15.00 H new ATOM 0 HD1 HIS A 53 -5.901 4.939 -0.915 1.00 15.00 H new ATOM 0 HD2 HIS A 53 -6.446 8.615 1.019 1.00 15.00 H new ATOM 0 HE1 HIS A 53 -6.272 6.668 -2.745 1.00 15.00 H new ATOM 773 N LYS A 54 -4.411 5.409 4.658 1.00 15.00 N ATOM 774 CA LYS A 54 -4.251 4.668 5.895 1.00 15.00 C ATOM 775 C LYS A 54 -4.832 3.251 5.825 1.00 15.00 C ATOM 776 O LYS A 54 -5.973 3.052 5.410 1.00 15.00 O ATOM 777 CB LYS A 54 -4.903 5.440 7.047 1.00 15.00 C ATOM 778 CG LYS A 54 -3.912 5.943 8.081 1.00 15.00 C ATOM 779 CD LYS A 54 -4.354 5.597 9.494 1.00 15.00 C ATOM 780 CE LYS A 54 -4.355 4.094 9.726 1.00 15.00 C ATOM 781 NZ LYS A 54 -3.778 3.736 11.051 1.00 15.00 N ATOM 0 H LYS A 54 -4.587 6.404 4.795 1.00 15.00 H new ATOM 0 HA LYS A 54 -3.180 4.562 6.067 1.00 15.00 H new ATOM 0 HB2 LYS A 54 -5.452 6.289 6.639 1.00 15.00 H new ATOM 0 HB3 LYS A 54 -5.632 4.795 7.538 1.00 15.00 H new ATOM 0 HG2 LYS A 54 -2.932 5.507 7.889 1.00 15.00 H new ATOM 0 HG3 LYS A 54 -3.804 7.024 7.987 1.00 15.00 H new ATOM 0 HD2 LYS A 54 -3.689 6.076 10.212 1.00 15.00 H new ATOM 0 HD3 LYS A 54 -5.354 5.994 9.671 1.00 15.00 H new ATOM 0 HE2 LYS A 54 -5.376 3.717 9.661 1.00 15.00 H new ATOM 0 HE3 LYS A 54 -3.784 3.605 8.937 1.00 15.00 H new ATOM 0 HZ1 LYS A 54 -3.964 2.733 11.251 1.00 15.00 H new ATOM 0 HZ2 LYS A 54 -2.751 3.902 11.039 1.00 15.00 H new ATOM 0 HZ3 LYS A 54 -4.215 4.323 11.790 1.00 15.00 H new ATOM 795 N GLY A 55 -4.031 2.277 6.255 1.00 15.00 N ATOM 796 CA GLY A 55 -4.462 0.887 6.261 1.00 15.00 C ATOM 797 C GLY A 55 -4.911 0.385 4.905 1.00 15.00 C ATOM 798 O GLY A 55 -5.748 -0.513 4.819 1.00 15.00 O ATOM 0 H GLY A 55 -3.084 2.428 6.602 1.00 15.00 H new ATOM 0 HA2 GLY A 55 -3.642 0.263 6.617 1.00 15.00 H new ATOM 0 HA3 GLY A 55 -5.281 0.773 6.971 1.00 15.00 H new ATOM 802 N ASP A 56 -4.350 0.948 3.843 1.00 15.00 N ATOM 803 CA ASP A 56 -4.705 0.524 2.495 1.00 15.00 C ATOM 804 C ASP A 56 -4.270 -0.918 2.254 1.00 15.00 C ATOM 805 O ASP A 56 -3.125 -1.283 2.523 1.00 15.00 O ATOM 806 CB ASP A 56 -4.066 1.444 1.454 1.00 15.00 C ATOM 807 CG ASP A 56 -5.092 2.295 0.736 1.00 15.00 C ATOM 808 OD1 ASP A 56 -6.186 1.775 0.430 1.00 15.00 O ATOM 809 OD2 ASP A 56 -4.803 3.481 0.478 1.00 15.00 O ATOM 0 H ASP A 56 -3.654 1.692 3.887 1.00 15.00 H new ATOM 0 HA ASP A 56 -5.789 0.584 2.396 1.00 15.00 H new ATOM 0 HB2 ASP A 56 -3.337 2.091 1.942 1.00 15.00 H new ATOM 0 HB3 ASP A 56 -3.521 0.843 0.726 1.00 15.00 H new ATOM 814 N ARG A 57 -5.186 -1.735 1.746 1.00 15.00 N ATOM 815 CA ARG A 57 -4.888 -3.134 1.471 1.00 15.00 C ATOM 816 C ARG A 57 -4.147 -3.276 0.147 1.00 15.00 C ATOM 817 O ARG A 57 -4.764 -3.429 -0.907 1.00 15.00 O ATOM 818 CB ARG A 57 -6.179 -3.955 1.436 1.00 15.00 C ATOM 819 CG ARG A 57 -7.143 -3.621 2.564 1.00 15.00 C ATOM 820 CD ARG A 57 -8.213 -4.690 2.721 1.00 15.00 C ATOM 821 NE ARG A 57 -9.558 -4.147 2.542 1.00 15.00 N ATOM 822 CZ ARG A 57 -10.665 -4.764 2.947 1.00 15.00 C ATOM 823 NH1 ARG A 57 -10.592 -5.942 3.555 1.00 15.00 N ATOM 824 NH2 ARG A 57 -11.849 -4.202 2.746 1.00 15.00 N ATOM 0 H ARG A 57 -6.139 -1.453 1.517 1.00 15.00 H new ATOM 0 HA ARG A 57 -4.249 -3.510 2.270 1.00 15.00 H new ATOM 0 HB2 ARG A 57 -6.679 -3.790 0.481 1.00 15.00 H new ATOM 0 HB3 ARG A 57 -5.928 -5.014 1.486 1.00 15.00 H new ATOM 0 HG2 ARG A 57 -6.590 -3.519 3.498 1.00 15.00 H new ATOM 0 HG3 ARG A 57 -7.615 -2.659 2.367 1.00 15.00 H new ATOM 0 HD2 ARG A 57 -8.042 -5.484 1.994 1.00 15.00 H new ATOM 0 HD3 ARG A 57 -8.133 -5.141 3.710 1.00 15.00 H new ATOM 0 HE ARG A 57 -9.654 -3.243 2.080 1.00 15.00 H new ATOM 0 HH11 ARG A 57 -9.684 -6.379 3.714 1.00 15.00 H new ATOM 0 HH12 ARG A 57 -11.444 -6.410 3.863 1.00 15.00 H new ATOM 0 HH21 ARG A 57 -11.911 -3.296 2.281 1.00 15.00 H new ATOM 0 HH22 ARG A 57 -12.697 -4.675 3.057 1.00 15.00 H new ATOM 838 N VAL A 58 -2.819 -3.222 0.207 1.00 15.00 N ATOM 839 CA VAL A 58 -2.002 -3.343 -0.994 1.00 15.00 C ATOM 840 C VAL A 58 -1.870 -4.806 -1.409 1.00 15.00 C ATOM 841 O VAL A 58 -1.335 -5.634 -0.663 1.00 15.00 O ATOM 842 CB VAL A 58 -0.601 -2.708 -0.805 1.00 15.00 C ATOM 843 CG1 VAL A 58 -0.695 -1.441 0.034 1.00 15.00 C ATOM 844 CG2 VAL A 58 0.383 -3.690 -0.181 1.00 15.00 C ATOM 0 H VAL A 58 -2.290 -3.096 1.070 1.00 15.00 H new ATOM 0 HA VAL A 58 -2.509 -2.794 -1.788 1.00 15.00 H new ATOM 0 HB VAL A 58 -0.224 -2.446 -1.794 1.00 15.00 H new ATOM 0 HG11 VAL A 58 0.299 -1.010 0.155 1.00 15.00 H new ATOM 0 HG12 VAL A 58 -1.344 -0.721 -0.465 1.00 15.00 H new ATOM 0 HG13 VAL A 58 -1.107 -1.683 1.013 1.00 15.00 H new ATOM 0 HG21 VAL A 58 1.354 -3.208 -0.065 1.00 15.00 H new ATOM 0 HG22 VAL A 58 0.014 -4.004 0.796 1.00 15.00 H new ATOM 0 HG23 VAL A 58 0.486 -4.562 -0.827 1.00 15.00 H new ATOM 854 N LEU A 59 -2.390 -5.121 -2.592 1.00 15.00 N ATOM 855 CA LEU A 59 -2.356 -6.486 -3.105 1.00 15.00 C ATOM 856 C LEU A 59 -1.350 -6.660 -4.243 1.00 15.00 C ATOM 857 O LEU A 59 -1.018 -7.786 -4.609 1.00 15.00 O ATOM 858 CB LEU A 59 -3.748 -6.906 -3.580 1.00 15.00 C ATOM 859 CG LEU A 59 -4.843 -6.868 -2.511 1.00 15.00 C ATOM 860 CD1 LEU A 59 -6.102 -7.555 -3.016 1.00 15.00 C ATOM 861 CD2 LEU A 59 -4.358 -7.519 -1.223 1.00 15.00 C ATOM 0 H LEU A 59 -2.840 -4.449 -3.213 1.00 15.00 H new ATOM 0 HA LEU A 59 -2.034 -7.126 -2.283 1.00 15.00 H new ATOM 0 HB2 LEU A 59 -4.044 -6.256 -4.403 1.00 15.00 H new ATOM 0 HB3 LEU A 59 -3.688 -7.919 -3.979 1.00 15.00 H new ATOM 0 HG LEU A 59 -5.080 -5.826 -2.298 1.00 15.00 H new ATOM 0 HD11 LEU A 59 -6.871 -7.519 -2.244 1.00 15.00 H new ATOM 0 HD12 LEU A 59 -6.461 -7.045 -3.910 1.00 15.00 H new ATOM 0 HD13 LEU A 59 -5.878 -8.594 -3.257 1.00 15.00 H new ATOM 0 HD21 LEU A 59 -5.151 -7.482 -0.476 1.00 15.00 H new ATOM 0 HD22 LEU A 59 -4.092 -8.558 -1.418 1.00 15.00 H new ATOM 0 HD23 LEU A 59 -3.484 -6.984 -0.852 1.00 15.00 H new ATOM 873 N ALA A 60 -0.882 -5.557 -4.822 1.00 15.00 N ATOM 874 CA ALA A 60 0.062 -5.643 -5.933 1.00 15.00 C ATOM 875 C ALA A 60 1.025 -4.458 -5.978 1.00 15.00 C ATOM 876 O ALA A 60 0.677 -3.337 -5.611 1.00 15.00 O ATOM 877 CB ALA A 60 -0.696 -5.754 -7.247 1.00 15.00 C ATOM 0 H ALA A 60 -1.136 -4.608 -4.546 1.00 15.00 H new ATOM 0 HA ALA A 60 0.666 -6.537 -5.777 1.00 15.00 H new ATOM 0 HB1 ALA A 60 0.013 -5.818 -8.072 1.00 15.00 H new ATOM 0 HB2 ALA A 60 -1.318 -6.649 -7.234 1.00 15.00 H new ATOM 0 HB3 ALA A 60 -1.327 -4.875 -7.378 1.00 15.00 H new ATOM 883 N VAL A 61 2.234 -4.731 -6.461 1.00 15.00 N ATOM 884 CA VAL A 61 3.274 -3.717 -6.602 1.00 15.00 C ATOM 885 C VAL A 61 4.001 -3.930 -7.918 1.00 15.00 C ATOM 886 O VAL A 61 4.841 -4.823 -8.034 1.00 15.00 O ATOM 887 CB VAL A 61 4.295 -3.772 -5.453 1.00 15.00 C ATOM 888 CG1 VAL A 61 5.234 -2.579 -5.516 1.00 15.00 C ATOM 889 CG2 VAL A 61 3.589 -3.834 -4.111 1.00 15.00 C ATOM 0 H VAL A 61 2.520 -5.662 -6.766 1.00 15.00 H new ATOM 0 HA VAL A 61 2.792 -2.740 -6.576 1.00 15.00 H new ATOM 0 HB VAL A 61 4.889 -4.679 -5.564 1.00 15.00 H new ATOM 0 HG11 VAL A 61 5.949 -2.635 -4.695 1.00 15.00 H new ATOM 0 HG12 VAL A 61 5.770 -2.587 -6.465 1.00 15.00 H new ATOM 0 HG13 VAL A 61 4.658 -1.658 -5.433 1.00 15.00 H new ATOM 0 HG21 VAL A 61 4.329 -3.872 -3.312 1.00 15.00 H new ATOM 0 HG22 VAL A 61 2.966 -2.948 -3.986 1.00 15.00 H new ATOM 0 HG23 VAL A 61 2.964 -4.726 -4.070 1.00 15.00 H new ATOM 899 N ASN A 62 3.649 -3.136 -8.921 1.00 15.00 N ATOM 900 CA ASN A 62 4.248 -3.276 -10.238 1.00 15.00 C ATOM 901 C ASN A 62 3.863 -4.628 -10.840 1.00 15.00 C ATOM 902 O ASN A 62 4.473 -5.088 -11.805 1.00 15.00 O ATOM 903 CB ASN A 62 5.771 -3.140 -10.161 1.00 15.00 C ATOM 904 CG ASN A 62 6.226 -1.696 -10.245 1.00 15.00 C ATOM 905 OD1 ASN A 62 7.120 -1.359 -11.022 1.00 15.00 O ATOM 906 ND2 ASN A 62 5.612 -0.833 -9.443 1.00 15.00 N ATOM 0 H ASN A 62 2.955 -2.392 -8.847 1.00 15.00 H new ATOM 0 HA ASN A 62 3.871 -2.479 -10.879 1.00 15.00 H new ATOM 0 HB2 ASN A 62 6.126 -3.576 -9.227 1.00 15.00 H new ATOM 0 HB3 ASN A 62 6.226 -3.709 -10.972 1.00 15.00 H new ATOM 0 HD21 ASN A 62 5.876 0.152 -9.456 1.00 15.00 H new ATOM 0 HD22 ASN A 62 4.876 -1.155 -8.815 1.00 15.00 H new ATOM 913 N GLY A 63 2.836 -5.255 -10.259 1.00 15.00 N ATOM 914 CA GLY A 63 2.368 -6.541 -10.740 1.00 15.00 C ATOM 915 C GLY A 63 2.725 -7.699 -9.823 1.00 15.00 C ATOM 916 O GLY A 63 2.463 -8.855 -10.155 1.00 15.00 O ATOM 0 H GLY A 63 2.320 -4.888 -9.459 1.00 15.00 H new ATOM 0 HA2 GLY A 63 1.285 -6.503 -10.859 1.00 15.00 H new ATOM 0 HA3 GLY A 63 2.791 -6.726 -11.727 1.00 15.00 H new ATOM 920 N VAL A 64 3.311 -7.402 -8.665 1.00 15.00 N ATOM 921 CA VAL A 64 3.678 -8.448 -7.716 1.00 15.00 C ATOM 922 C VAL A 64 2.572 -8.662 -6.682 1.00 15.00 C ATOM 923 O VAL A 64 2.374 -7.843 -5.786 1.00 15.00 O ATOM 924 CB VAL A 64 5.014 -8.135 -7.003 1.00 15.00 C ATOM 925 CG1 VAL A 64 4.841 -7.060 -5.943 1.00 15.00 C ATOM 926 CG2 VAL A 64 5.602 -9.400 -6.396 1.00 15.00 C ATOM 0 H VAL A 64 3.540 -6.455 -8.364 1.00 15.00 H new ATOM 0 HA VAL A 64 3.809 -9.366 -8.289 1.00 15.00 H new ATOM 0 HB VAL A 64 5.709 -7.751 -7.750 1.00 15.00 H new ATOM 0 HG11 VAL A 64 5.800 -6.865 -5.462 1.00 15.00 H new ATOM 0 HG12 VAL A 64 4.476 -6.145 -6.409 1.00 15.00 H new ATOM 0 HG13 VAL A 64 4.123 -7.398 -5.196 1.00 15.00 H new ATOM 0 HG21 VAL A 64 6.542 -9.162 -5.898 1.00 15.00 H new ATOM 0 HG22 VAL A 64 4.902 -9.815 -5.671 1.00 15.00 H new ATOM 0 HG23 VAL A 64 5.784 -10.131 -7.184 1.00 15.00 H new ATOM 936 N SER A 65 1.849 -9.768 -6.817 1.00 15.00 N ATOM 937 CA SER A 65 0.761 -10.087 -5.898 1.00 15.00 C ATOM 938 C SER A 65 1.260 -10.129 -4.457 1.00 15.00 C ATOM 939 O SER A 65 2.319 -10.687 -4.171 1.00 15.00 O ATOM 940 CB SER A 65 0.127 -11.428 -6.273 1.00 15.00 C ATOM 941 OG SER A 65 -1.109 -11.239 -6.941 1.00 15.00 O ATOM 0 H SER A 65 1.996 -10.459 -7.553 1.00 15.00 H new ATOM 0 HA SER A 65 0.008 -9.303 -5.978 1.00 15.00 H new ATOM 0 HB2 SER A 65 0.808 -11.989 -6.913 1.00 15.00 H new ATOM 0 HB3 SER A 65 -0.029 -12.024 -5.374 1.00 15.00 H new ATOM 0 HG SER A 65 -1.493 -12.111 -7.171 1.00 15.00 H new ATOM 947 N LEU A 66 0.487 -9.535 -3.554 1.00 15.00 N ATOM 948 CA LEU A 66 0.846 -9.501 -2.142 1.00 15.00 C ATOM 949 C LEU A 66 0.170 -10.637 -1.376 1.00 15.00 C ATOM 950 O LEU A 66 0.611 -11.010 -0.289 1.00 15.00 O ATOM 951 CB LEU A 66 0.459 -8.152 -1.530 1.00 15.00 C ATOM 952 CG LEU A 66 1.636 -7.269 -1.114 1.00 15.00 C ATOM 953 CD1 LEU A 66 2.497 -7.979 -0.081 1.00 15.00 C ATOM 954 CD2 LEU A 66 2.467 -6.883 -2.329 1.00 15.00 C ATOM 0 H LEU A 66 -0.393 -9.070 -3.776 1.00 15.00 H new ATOM 0 HA LEU A 66 1.925 -9.632 -2.064 1.00 15.00 H new ATOM 0 HB2 LEU A 66 -0.149 -7.605 -2.250 1.00 15.00 H new ATOM 0 HB3 LEU A 66 -0.167 -8.333 -0.656 1.00 15.00 H new ATOM 0 HG LEU A 66 1.241 -6.358 -0.663 1.00 15.00 H new ATOM 0 HD11 LEU A 66 3.330 -7.335 0.203 1.00 15.00 H new ATOM 0 HD12 LEU A 66 1.896 -8.205 0.800 1.00 15.00 H new ATOM 0 HD13 LEU A 66 2.883 -8.906 -0.505 1.00 15.00 H new ATOM 0 HD21 LEU A 66 3.300 -6.255 -2.015 1.00 15.00 H new ATOM 0 HD22 LEU A 66 2.852 -7.784 -2.808 1.00 15.00 H new ATOM 0 HD23 LEU A 66 1.845 -6.334 -3.036 1.00 15.00 H new ATOM 966 N GLU A 67 -0.901 -11.183 -1.949 1.00 15.00 N ATOM 967 CA GLU A 67 -1.636 -12.277 -1.318 1.00 15.00 C ATOM 968 C GLU A 67 -0.684 -13.354 -0.805 1.00 15.00 C ATOM 969 O GLU A 67 -0.204 -14.190 -1.571 1.00 15.00 O ATOM 970 CB GLU A 67 -2.629 -12.888 -2.308 1.00 15.00 C ATOM 971 CG GLU A 67 -3.849 -12.018 -2.562 1.00 15.00 C ATOM 972 CD GLU A 67 -4.969 -12.771 -3.252 1.00 15.00 C ATOM 973 OE1 GLU A 67 -4.675 -13.549 -4.183 1.00 15.00 O ATOM 974 OE2 GLU A 67 -6.140 -12.583 -2.861 1.00 15.00 O ATOM 0 H GLU A 67 -1.279 -10.886 -2.849 1.00 15.00 H new ATOM 0 HA GLU A 67 -2.183 -11.869 -0.468 1.00 15.00 H new ATOM 0 HB2 GLU A 67 -2.120 -13.070 -3.254 1.00 15.00 H new ATOM 0 HB3 GLU A 67 -2.956 -13.857 -1.930 1.00 15.00 H new ATOM 0 HG2 GLU A 67 -4.213 -11.623 -1.613 1.00 15.00 H new ATOM 0 HG3 GLU A 67 -3.560 -11.163 -3.174 1.00 15.00 H new ATOM 981 N GLY A 68 -0.413 -13.324 0.496 1.00 15.00 N ATOM 982 CA GLY A 68 0.483 -14.298 1.090 1.00 15.00 C ATOM 983 C GLY A 68 1.841 -13.707 1.409 1.00 15.00 C ATOM 984 O GLY A 68 2.847 -14.082 0.806 1.00 15.00 O ATOM 0 H GLY A 68 -0.798 -12.642 1.149 1.00 15.00 H new ATOM 0 HA2 GLY A 68 0.036 -14.691 2.003 1.00 15.00 H new ATOM 0 HA3 GLY A 68 0.606 -15.139 0.408 1.00 15.00 H new ATOM 988 N ALA A 69 1.870 -12.776 2.357 1.00 15.00 N ATOM 989 CA ALA A 69 3.111 -12.126 2.754 1.00 15.00 C ATOM 990 C ALA A 69 2.897 -11.228 3.969 1.00 15.00 C ATOM 991 O ALA A 69 1.767 -10.862 4.292 1.00 15.00 O ATOM 992 CB ALA A 69 3.675 -11.323 1.590 1.00 15.00 C ATOM 0 H ALA A 69 1.046 -12.455 2.865 1.00 15.00 H new ATOM 0 HA ALA A 69 3.828 -12.898 3.032 1.00 15.00 H new ATOM 0 HB1 ALA A 69 4.603 -10.841 1.897 1.00 15.00 H new ATOM 0 HB2 ALA A 69 3.873 -11.989 0.750 1.00 15.00 H new ATOM 0 HB3 ALA A 69 2.954 -10.563 1.289 1.00 15.00 H new ATOM 998 N THR A 70 3.988 -10.880 4.642 1.00 15.00 N ATOM 999 CA THR A 70 3.919 -10.027 5.824 1.00 15.00 C ATOM 1000 C THR A 70 4.113 -8.559 5.452 1.00 15.00 C ATOM 1001 O THR A 70 4.188 -8.208 4.275 1.00 15.00 O ATOM 1002 CB THR A 70 4.983 -10.448 6.839 1.00 15.00 C ATOM 1003 OG1 THR A 70 6.267 -10.013 6.429 1.00 15.00 O ATOM 1004 CG2 THR A 70 5.051 -11.945 7.050 1.00 15.00 C ATOM 0 H THR A 70 4.931 -11.175 4.390 1.00 15.00 H new ATOM 0 HA THR A 70 2.930 -10.143 6.267 1.00 15.00 H new ATOM 0 HB THR A 70 4.688 -9.979 7.777 1.00 15.00 H new ATOM 0 HG1 THR A 70 6.933 -10.290 7.092 1.00 15.00 H new ATOM 0 HG21 THR A 70 5.826 -12.175 7.781 1.00 15.00 H new ATOM 0 HG22 THR A 70 4.089 -12.305 7.415 1.00 15.00 H new ATOM 0 HG23 THR A 70 5.287 -12.435 6.106 1.00 15.00 H new ATOM 1012 N HIS A 71 4.197 -7.708 6.470 1.00 15.00 N ATOM 1013 CA HIS A 71 4.386 -6.276 6.268 1.00 15.00 C ATOM 1014 C HIS A 71 5.718 -6.010 5.574 1.00 15.00 C ATOM 1015 O HIS A 71 5.760 -5.435 4.487 1.00 15.00 O ATOM 1016 CB HIS A 71 4.300 -5.551 7.623 1.00 15.00 C ATOM 1017 CG HIS A 71 5.300 -4.453 7.829 1.00 15.00 C ATOM 1018 ND1 HIS A 71 6.047 -4.329 8.981 1.00 15.00 N ATOM 1019 CD2 HIS A 71 5.663 -3.419 7.035 1.00 15.00 C ATOM 1020 CE1 HIS A 71 6.823 -3.266 8.887 1.00 15.00 C ATOM 1021 NE2 HIS A 71 6.612 -2.697 7.716 1.00 15.00 N ATOM 0 H HIS A 71 4.137 -7.988 7.449 1.00 15.00 H new ATOM 0 HA HIS A 71 3.598 -5.890 5.622 1.00 15.00 H new ATOM 0 HB2 HIS A 71 3.299 -5.133 7.729 1.00 15.00 H new ATOM 0 HB3 HIS A 71 4.424 -6.286 8.418 1.00 15.00 H new ATOM 0 HD1 HIS A 71 6.006 -4.960 9.781 1.00 15.00 H new ATOM 0 HD2 HIS A 71 5.278 -3.202 6.050 1.00 15.00 H new ATOM 0 HE1 HIS A 71 7.514 -2.920 9.641 1.00 15.00 H new ATOM 1030 N LYS A 72 6.800 -6.448 6.204 1.00 15.00 N ATOM 1031 CA LYS A 72 8.135 -6.277 5.643 1.00 15.00 C ATOM 1032 C LYS A 72 8.188 -6.811 4.219 1.00 15.00 C ATOM 1033 O LYS A 72 8.892 -6.268 3.368 1.00 15.00 O ATOM 1034 CB LYS A 72 9.164 -6.996 6.513 1.00 15.00 C ATOM 1035 CG LYS A 72 10.601 -6.647 6.166 1.00 15.00 C ATOM 1036 CD LYS A 72 11.556 -7.766 6.547 1.00 15.00 C ATOM 1037 CE LYS A 72 11.737 -7.856 8.054 1.00 15.00 C ATOM 1038 NZ LYS A 72 12.683 -8.941 8.435 1.00 15.00 N ATOM 0 H LYS A 72 6.780 -6.925 7.105 1.00 15.00 H new ATOM 0 HA LYS A 72 8.370 -5.213 5.622 1.00 15.00 H new ATOM 0 HB2 LYS A 72 8.981 -6.748 7.559 1.00 15.00 H new ATOM 0 HB3 LYS A 72 9.025 -8.072 6.411 1.00 15.00 H new ATOM 0 HG2 LYS A 72 10.680 -6.449 5.097 1.00 15.00 H new ATOM 0 HG3 LYS A 72 10.888 -5.731 6.682 1.00 15.00 H new ATOM 0 HD2 LYS A 72 11.176 -8.715 6.168 1.00 15.00 H new ATOM 0 HD3 LYS A 72 12.523 -7.598 6.073 1.00 15.00 H new ATOM 0 HE2 LYS A 72 12.106 -6.903 8.433 1.00 15.00 H new ATOM 0 HE3 LYS A 72 10.771 -8.034 8.526 1.00 15.00 H new ATOM 0 HZ1 LYS A 72 12.779 -8.970 9.470 1.00 15.00 H new ATOM 0 HZ2 LYS A 72 12.319 -9.854 8.096 1.00 15.00 H new ATOM 0 HZ3 LYS A 72 13.612 -8.758 8.006 1.00 15.00 H new ATOM 1052 N GLN A 73 7.427 -7.869 3.964 1.00 15.00 N ATOM 1053 CA GLN A 73 7.380 -8.463 2.636 1.00 15.00 C ATOM 1054 C GLN A 73 6.901 -7.425 1.632 1.00 15.00 C ATOM 1055 O GLN A 73 7.537 -7.204 0.601 1.00 15.00 O ATOM 1056 CB GLN A 73 6.454 -9.679 2.622 1.00 15.00 C ATOM 1057 CG GLN A 73 6.900 -10.766 1.659 1.00 15.00 C ATOM 1058 CD GLN A 73 6.864 -12.149 2.282 1.00 15.00 C ATOM 1059 OE1 GLN A 73 6.424 -12.320 3.419 1.00 15.00 O ATOM 1060 NE2 GLN A 73 7.328 -13.145 1.537 1.00 15.00 N ATOM 0 H GLN A 73 6.837 -8.330 4.657 1.00 15.00 H new ATOM 0 HA GLN A 73 8.381 -8.795 2.362 1.00 15.00 H new ATOM 0 HB2 GLN A 73 6.398 -10.095 3.628 1.00 15.00 H new ATOM 0 HB3 GLN A 73 5.448 -9.357 2.354 1.00 15.00 H new ATOM 0 HG2 GLN A 73 6.258 -10.752 0.778 1.00 15.00 H new ATOM 0 HG3 GLN A 73 7.913 -10.551 1.319 1.00 15.00 H new ATOM 0 HE21 GLN A 73 7.683 -12.958 0.599 1.00 15.00 H new ATOM 0 HE22 GLN A 73 7.329 -14.097 1.902 1.00 15.00 H new ATOM 1069 N ALA A 74 5.792 -6.767 1.955 1.00 15.00 N ATOM 1070 CA ALA A 74 5.258 -5.727 1.093 1.00 15.00 C ATOM 1071 C ALA A 74 6.213 -4.548 1.069 1.00 15.00 C ATOM 1072 O ALA A 74 6.525 -4.013 0.007 1.00 15.00 O ATOM 1073 CB ALA A 74 3.886 -5.284 1.558 1.00 15.00 C ATOM 0 H ALA A 74 5.251 -6.936 2.803 1.00 15.00 H new ATOM 0 HA ALA A 74 5.154 -6.130 0.085 1.00 15.00 H new ATOM 0 HB1 ALA A 74 3.511 -4.505 0.894 1.00 15.00 H new ATOM 0 HB2 ALA A 74 3.204 -6.134 1.541 1.00 15.00 H new ATOM 0 HB3 ALA A 74 3.954 -4.894 2.573 1.00 15.00 H new ATOM 1079 N VAL A 75 6.704 -4.171 2.252 1.00 15.00 N ATOM 1080 CA VAL A 75 7.664 -3.079 2.371 1.00 15.00 C ATOM 1081 C VAL A 75 8.702 -3.222 1.276 1.00 15.00 C ATOM 1082 O VAL A 75 9.125 -2.247 0.657 1.00 15.00 O ATOM 1083 CB VAL A 75 8.343 -3.096 3.764 1.00 15.00 C ATOM 1084 CG1 VAL A 75 9.841 -3.361 3.668 1.00 15.00 C ATOM 1085 CG2 VAL A 75 8.077 -1.802 4.510 1.00 15.00 C ATOM 0 H VAL A 75 6.451 -4.607 3.138 1.00 15.00 H new ATOM 0 HA VAL A 75 7.145 -2.126 2.265 1.00 15.00 H new ATOM 0 HB VAL A 75 7.902 -3.920 4.325 1.00 15.00 H new ATOM 0 HG11 VAL A 75 10.275 -3.364 4.668 1.00 15.00 H new ATOM 0 HG12 VAL A 75 10.010 -4.329 3.196 1.00 15.00 H new ATOM 0 HG13 VAL A 75 10.311 -2.580 3.071 1.00 15.00 H new ATOM 0 HG21 VAL A 75 8.563 -1.837 5.485 1.00 15.00 H new ATOM 0 HG22 VAL A 75 8.473 -0.964 3.937 1.00 15.00 H new ATOM 0 HG23 VAL A 75 7.003 -1.674 4.645 1.00 15.00 H new ATOM 1095 N GLU A 76 9.079 -4.468 1.034 1.00 15.00 N ATOM 1096 CA GLU A 76 10.041 -4.784 -0.002 1.00 15.00 C ATOM 1097 C GLU A 76 9.456 -4.486 -1.379 1.00 15.00 C ATOM 1098 O GLU A 76 10.114 -3.872 -2.213 1.00 15.00 O ATOM 1099 CB GLU A 76 10.456 -6.253 0.088 1.00 15.00 C ATOM 1100 CG GLU A 76 10.955 -6.660 1.466 1.00 15.00 C ATOM 1101 CD GLU A 76 12.453 -6.892 1.498 1.00 15.00 C ATOM 1102 OE1 GLU A 76 12.932 -7.785 0.767 1.00 15.00 O ATOM 1103 OE2 GLU A 76 13.148 -6.182 2.255 1.00 15.00 O ATOM 0 H GLU A 76 8.729 -5.278 1.546 1.00 15.00 H new ATOM 0 HA GLU A 76 10.924 -4.162 0.144 1.00 15.00 H new ATOM 0 HB2 GLU A 76 9.606 -6.880 -0.181 1.00 15.00 H new ATOM 0 HB3 GLU A 76 11.239 -6.446 -0.645 1.00 15.00 H new ATOM 0 HG2 GLU A 76 10.696 -5.884 2.186 1.00 15.00 H new ATOM 0 HG3 GLU A 76 10.443 -7.570 1.780 1.00 15.00 H new ATOM 1110 N THR A 77 8.214 -4.919 -1.618 1.00 15.00 N ATOM 1111 CA THR A 77 7.570 -4.681 -2.909 1.00 15.00 C ATOM 1112 C THR A 77 7.362 -3.192 -3.166 1.00 15.00 C ATOM 1113 O THR A 77 7.773 -2.673 -4.203 1.00 15.00 O ATOM 1114 CB THR A 77 6.236 -5.418 -3.005 1.00 15.00 C ATOM 1115 OG1 THR A 77 5.275 -4.845 -2.138 1.00 15.00 O ATOM 1116 CG2 THR A 77 6.338 -6.891 -2.677 1.00 15.00 C ATOM 0 H THR A 77 7.643 -5.429 -0.944 1.00 15.00 H new ATOM 0 HA THR A 77 8.240 -5.070 -3.676 1.00 15.00 H new ATOM 0 HB THR A 77 5.930 -5.317 -4.046 1.00 15.00 H new ATOM 0 HG1 THR A 77 5.710 -4.569 -1.304 1.00 15.00 H new ATOM 0 HG21 THR A 77 5.354 -7.352 -2.765 1.00 15.00 H new ATOM 0 HG22 THR A 77 7.028 -7.371 -3.371 1.00 15.00 H new ATOM 0 HG23 THR A 77 6.706 -7.012 -1.658 1.00 15.00 H new ATOM 1124 N LEU A 78 6.723 -2.502 -2.220 1.00 15.00 N ATOM 1125 CA LEU A 78 6.474 -1.069 -2.368 1.00 15.00 C ATOM 1126 C LEU A 78 7.778 -0.346 -2.665 1.00 15.00 C ATOM 1127 O LEU A 78 7.864 0.462 -3.589 1.00 15.00 O ATOM 1128 CB LEU A 78 5.843 -0.484 -1.098 1.00 15.00 C ATOM 1129 CG LEU A 78 4.825 -1.380 -0.388 1.00 15.00 C ATOM 1130 CD1 LEU A 78 4.148 -0.620 0.742 1.00 15.00 C ATOM 1131 CD2 LEU A 78 3.792 -1.906 -1.374 1.00 15.00 C ATOM 0 H LEU A 78 6.372 -2.908 -1.352 1.00 15.00 H new ATOM 0 HA LEU A 78 5.778 -0.930 -3.196 1.00 15.00 H new ATOM 0 HB2 LEU A 78 6.641 -0.245 -0.395 1.00 15.00 H new ATOM 0 HB3 LEU A 78 5.354 0.455 -1.357 1.00 15.00 H new ATOM 0 HG LEU A 78 5.354 -2.233 0.037 1.00 15.00 H new ATOM 0 HD11 LEU A 78 3.427 -1.270 1.237 1.00 15.00 H new ATOM 0 HD12 LEU A 78 4.898 -0.295 1.463 1.00 15.00 H new ATOM 0 HD13 LEU A 78 3.633 0.251 0.337 1.00 15.00 H new ATOM 0 HD21 LEU A 78 3.078 -2.541 -0.849 1.00 15.00 H new ATOM 0 HD22 LEU A 78 3.265 -1.068 -1.831 1.00 15.00 H new ATOM 0 HD23 LEU A 78 4.292 -2.487 -2.149 1.00 15.00 H new ATOM 1143 N ARG A 79 8.792 -0.658 -1.872 1.00 15.00 N ATOM 1144 CA ARG A 79 10.106 -0.062 -2.033 1.00 15.00 C ATOM 1145 C ARG A 79 10.767 -0.544 -3.324 1.00 15.00 C ATOM 1146 O ARG A 79 11.084 0.255 -4.206 1.00 15.00 O ATOM 1147 CB ARG A 79 10.977 -0.409 -0.825 1.00 15.00 C ATOM 1148 CG ARG A 79 12.000 0.661 -0.483 1.00 15.00 C ATOM 1149 CD ARG A 79 12.491 0.523 0.949 1.00 15.00 C ATOM 1150 NE ARG A 79 13.198 -0.737 1.167 1.00 15.00 N ATOM 1151 CZ ARG A 79 13.409 -1.269 2.368 1.00 15.00 C ATOM 1152 NH1 ARG A 79 12.970 -0.655 3.459 1.00 15.00 N ATOM 1153 NH2 ARG A 79 14.060 -2.420 2.478 1.00 15.00 N ATOM 0 H ARG A 79 8.727 -1.327 -1.105 1.00 15.00 H new ATOM 0 HA ARG A 79 9.996 1.021 -2.097 1.00 15.00 H new ATOM 0 HB2 ARG A 79 10.334 -0.575 0.040 1.00 15.00 H new ATOM 0 HB3 ARG A 79 11.497 -1.347 -1.020 1.00 15.00 H new ATOM 0 HG2 ARG A 79 12.845 0.590 -1.167 1.00 15.00 H new ATOM 0 HG3 ARG A 79 11.558 1.647 -0.624 1.00 15.00 H new ATOM 0 HD2 ARG A 79 13.153 1.356 1.187 1.00 15.00 H new ATOM 0 HD3 ARG A 79 11.643 0.585 1.631 1.00 15.00 H new ATOM 0 HE ARG A 79 13.550 -1.238 0.351 1.00 15.00 H new ATOM 0 HH11 ARG A 79 12.468 0.229 3.379 1.00 15.00 H new ATOM 0 HH12 ARG A 79 13.134 -1.067 4.377 1.00 15.00 H new ATOM 0 HH21 ARG A 79 14.398 -2.896 1.642 1.00 15.00 H new ATOM 0 HH22 ARG A 79 14.222 -2.828 3.399 1.00 15.00 H new ATOM 1167 N ASN A 80 10.978 -1.855 -3.422 1.00 15.00 N ATOM 1168 CA ASN A 80 11.608 -2.461 -4.596 1.00 15.00 C ATOM 1169 C ASN A 80 10.746 -2.332 -5.855 1.00 15.00 C ATOM 1170 O ASN A 80 10.405 -3.336 -6.482 1.00 15.00 O ATOM 1171 CB ASN A 80 11.908 -3.940 -4.338 1.00 15.00 C ATOM 1172 CG ASN A 80 13.032 -4.138 -3.338 1.00 15.00 C ATOM 1173 OD1 ASN A 80 14.177 -4.386 -3.716 1.00 15.00 O ATOM 1174 ND2 ASN A 80 12.712 -4.030 -2.054 1.00 15.00 N ATOM 0 H ASN A 80 10.720 -2.524 -2.696 1.00 15.00 H new ATOM 0 HA ASN A 80 12.536 -1.916 -4.769 1.00 15.00 H new ATOM 0 HB2 ASN A 80 11.007 -4.431 -3.970 1.00 15.00 H new ATOM 0 HB3 ASN A 80 12.173 -4.423 -5.278 1.00 15.00 H new ATOM 0 HD21 ASN A 80 13.428 -4.154 -1.338 1.00 15.00 H new ATOM 0 HD22 ASN A 80 11.750 -3.823 -1.784 1.00 15.00 H new ATOM 1181 N THR A 81 10.413 -1.106 -6.240 1.00 15.00 N ATOM 1182 CA THR A 81 9.616 -0.887 -7.442 1.00 15.00 C ATOM 1183 C THR A 81 10.534 -0.589 -8.624 1.00 15.00 C ATOM 1184 O THR A 81 10.676 -1.406 -9.533 1.00 15.00 O ATOM 1185 CB THR A 81 8.614 0.251 -7.236 1.00 15.00 C ATOM 1186 OG1 THR A 81 8.888 0.957 -6.039 1.00 15.00 O ATOM 1187 CG2 THR A 81 7.177 -0.224 -7.171 1.00 15.00 C ATOM 0 H THR A 81 10.679 -0.256 -5.744 1.00 15.00 H new ATOM 0 HA THR A 81 9.049 -1.794 -7.654 1.00 15.00 H new ATOM 0 HB THR A 81 8.730 0.897 -8.106 1.00 15.00 H new ATOM 0 HG1 THR A 81 8.453 0.505 -5.286 1.00 15.00 H new ATOM 0 HG21 THR A 81 6.517 0.631 -7.024 1.00 15.00 H new ATOM 0 HG22 THR A 81 6.917 -0.726 -8.103 1.00 15.00 H new ATOM 0 HG23 THR A 81 7.061 -0.919 -6.340 1.00 15.00 H new ATOM 1195 N GLY A 82 11.172 0.579 -8.594 1.00 15.00 N ATOM 1196 CA GLY A 82 12.085 0.952 -9.652 1.00 15.00 C ATOM 1197 C GLY A 82 11.662 2.200 -10.399 1.00 15.00 C ATOM 1198 O GLY A 82 11.821 3.318 -9.910 1.00 15.00 O ATOM 0 H GLY A 82 11.070 1.272 -7.853 1.00 15.00 H new ATOM 0 HA2 GLY A 82 13.076 1.110 -9.227 1.00 15.00 H new ATOM 0 HA3 GLY A 82 12.169 0.126 -10.358 1.00 15.00 H new ATOM 1202 N GLN A 83 11.144 1.997 -11.600 1.00 15.00 N ATOM 1203 CA GLN A 83 10.711 3.097 -12.462 1.00 15.00 C ATOM 1204 C GLN A 83 9.532 3.874 -11.873 1.00 15.00 C ATOM 1205 O GLN A 83 9.711 4.949 -11.300 1.00 15.00 O ATOM 1206 CB GLN A 83 10.347 2.579 -13.861 1.00 15.00 C ATOM 1207 CG GLN A 83 9.758 1.175 -13.876 1.00 15.00 C ATOM 1208 CD GLN A 83 8.621 1.030 -14.869 1.00 15.00 C ATOM 1209 OE1 GLN A 83 7.793 1.929 -15.016 1.00 15.00 O ATOM 1210 NE2 GLN A 83 8.575 -0.106 -15.554 1.00 15.00 N ATOM 0 H GLN A 83 11.010 1.072 -12.008 1.00 15.00 H new ATOM 0 HA GLN A 83 11.553 3.785 -12.537 1.00 15.00 H new ATOM 0 HB2 GLN A 83 9.632 3.265 -14.315 1.00 15.00 H new ATOM 0 HB3 GLN A 83 11.241 2.592 -14.484 1.00 15.00 H new ATOM 0 HG2 GLN A 83 10.542 0.459 -14.120 1.00 15.00 H new ATOM 0 HG3 GLN A 83 9.398 0.925 -12.878 1.00 15.00 H new ATOM 0 HE21 GLN A 83 9.283 -0.824 -15.399 1.00 15.00 H new ATOM 0 HE22 GLN A 83 7.832 -0.261 -16.235 1.00 15.00 H new ATOM 1219 N VAL A 84 8.328 3.337 -12.043 1.00 15.00 N ATOM 1220 CA VAL A 84 7.117 3.983 -11.554 1.00 15.00 C ATOM 1221 C VAL A 84 6.513 3.214 -10.382 1.00 15.00 C ATOM 1222 O VAL A 84 6.762 2.021 -10.208 1.00 15.00 O ATOM 1223 CB VAL A 84 6.072 4.119 -12.686 1.00 15.00 C ATOM 1224 CG1 VAL A 84 4.714 4.548 -12.145 1.00 15.00 C ATOM 1225 CG2 VAL A 84 6.562 5.107 -13.733 1.00 15.00 C ATOM 0 H VAL A 84 8.166 2.450 -12.519 1.00 15.00 H new ATOM 0 HA VAL A 84 7.395 4.978 -11.207 1.00 15.00 H new ATOM 0 HB VAL A 84 5.948 3.140 -13.149 1.00 15.00 H new ATOM 0 HG11 VAL A 84 4.005 4.633 -12.968 1.00 15.00 H new ATOM 0 HG12 VAL A 84 4.355 3.805 -11.432 1.00 15.00 H new ATOM 0 HG13 VAL A 84 4.809 5.513 -11.647 1.00 15.00 H new ATOM 0 HG21 VAL A 84 5.819 5.196 -14.526 1.00 15.00 H new ATOM 0 HG22 VAL A 84 6.716 6.082 -13.270 1.00 15.00 H new ATOM 0 HG23 VAL A 84 7.503 4.753 -14.155 1.00 15.00 H new ATOM 1235 N VAL A 85 5.710 3.906 -9.585 1.00 15.00 N ATOM 1236 CA VAL A 85 5.067 3.296 -8.435 1.00 15.00 C ATOM 1237 C VAL A 85 3.635 2.890 -8.778 1.00 15.00 C ATOM 1238 O VAL A 85 2.680 3.600 -8.465 1.00 15.00 O ATOM 1239 CB VAL A 85 5.079 4.264 -7.228 1.00 15.00 C ATOM 1240 CG1 VAL A 85 4.023 3.897 -6.197 1.00 15.00 C ATOM 1241 CG2 VAL A 85 6.461 4.298 -6.592 1.00 15.00 C ATOM 0 H VAL A 85 5.490 4.893 -9.717 1.00 15.00 H new ATOM 0 HA VAL A 85 5.626 2.401 -8.163 1.00 15.00 H new ATOM 0 HB VAL A 85 4.836 5.259 -7.600 1.00 15.00 H new ATOM 0 HG11 VAL A 85 4.065 4.601 -5.366 1.00 15.00 H new ATOM 0 HG12 VAL A 85 3.036 3.937 -6.657 1.00 15.00 H new ATOM 0 HG13 VAL A 85 4.210 2.889 -5.828 1.00 15.00 H new ATOM 0 HG21 VAL A 85 6.455 4.983 -5.744 1.00 15.00 H new ATOM 0 HG22 VAL A 85 6.728 3.299 -6.249 1.00 15.00 H new ATOM 0 HG23 VAL A 85 7.191 4.637 -7.327 1.00 15.00 H new ATOM 1251 N HIS A 86 3.501 1.737 -9.428 1.00 15.00 N ATOM 1252 CA HIS A 86 2.194 1.220 -9.817 1.00 15.00 C ATOM 1253 C HIS A 86 1.736 0.145 -8.838 1.00 15.00 C ATOM 1254 O HIS A 86 1.946 -1.047 -9.064 1.00 15.00 O ATOM 1255 CB HIS A 86 2.246 0.649 -11.233 1.00 15.00 C ATOM 1256 CG HIS A 86 0.903 0.278 -11.779 1.00 15.00 C ATOM 1257 ND1 HIS A 86 -0.094 1.202 -12.017 1.00 15.00 N ATOM 1258 CD2 HIS A 86 0.391 -0.924 -12.135 1.00 15.00 C ATOM 1259 CE1 HIS A 86 -1.160 0.583 -12.494 1.00 15.00 C ATOM 1260 NE2 HIS A 86 -0.891 -0.707 -12.575 1.00 15.00 N ATOM 0 H HIS A 86 4.285 1.142 -9.697 1.00 15.00 H new ATOM 0 HA HIS A 86 1.479 2.042 -9.797 1.00 15.00 H new ATOM 0 HB2 HIS A 86 2.708 1.382 -11.895 1.00 15.00 H new ATOM 0 HB3 HIS A 86 2.887 -0.233 -11.237 1.00 15.00 H new ATOM 0 HD2 HIS A 86 0.897 -1.877 -12.082 1.00 15.00 H new ATOM 0 HE1 HIS A 86 -2.092 1.053 -12.770 1.00 15.00 H new ATOM 0 HE2 HIS A 86 -1.532 -1.426 -12.910 1.00 15.00 H new ATOM 1269 N LEU A 87 1.129 0.579 -7.742 1.00 15.00 N ATOM 1270 CA LEU A 87 0.659 -0.336 -6.712 1.00 15.00 C ATOM 1271 C LEU A 87 -0.853 -0.531 -6.768 1.00 15.00 C ATOM 1272 O LEU A 87 -1.616 0.415 -6.593 1.00 15.00 O ATOM 1273 CB LEU A 87 1.054 0.195 -5.334 1.00 15.00 C ATOM 1274 CG LEU A 87 1.996 -0.706 -4.547 1.00 15.00 C ATOM 1275 CD1 LEU A 87 3.144 0.099 -3.956 1.00 15.00 C ATOM 1276 CD2 LEU A 87 1.233 -1.438 -3.454 1.00 15.00 C ATOM 0 H LEU A 87 0.950 1.563 -7.543 1.00 15.00 H new ATOM 0 HA LEU A 87 1.127 -1.304 -6.891 1.00 15.00 H new ATOM 0 HB2 LEU A 87 1.526 1.170 -5.458 1.00 15.00 H new ATOM 0 HB3 LEU A 87 0.149 0.351 -4.747 1.00 15.00 H new ATOM 0 HG LEU A 87 2.418 -1.444 -5.229 1.00 15.00 H new ATOM 0 HD11 LEU A 87 3.804 -0.565 -3.398 1.00 15.00 H new ATOM 0 HD12 LEU A 87 3.704 0.577 -4.759 1.00 15.00 H new ATOM 0 HD13 LEU A 87 2.747 0.862 -3.287 1.00 15.00 H new ATOM 0 HD21 LEU A 87 1.918 -2.079 -2.899 1.00 15.00 H new ATOM 0 HD22 LEU A 87 0.784 -0.713 -2.775 1.00 15.00 H new ATOM 0 HD23 LEU A 87 0.449 -2.048 -3.903 1.00 15.00 H new ATOM 1288 N LEU A 88 -1.278 -1.771 -6.985 1.00 15.00 N ATOM 1289 CA LEU A 88 -2.699 -2.093 -7.032 1.00 15.00 C ATOM 1290 C LEU A 88 -3.169 -2.525 -5.649 1.00 15.00 C ATOM 1291 O LEU A 88 -2.890 -3.639 -5.206 1.00 15.00 O ATOM 1292 CB LEU A 88 -2.963 -3.199 -8.057 1.00 15.00 C ATOM 1293 CG LEU A 88 -3.110 -2.721 -9.504 1.00 15.00 C ATOM 1294 CD1 LEU A 88 -2.080 -1.646 -9.825 1.00 15.00 C ATOM 1295 CD2 LEU A 88 -2.976 -3.892 -10.466 1.00 15.00 C ATOM 0 H LEU A 88 -0.659 -2.569 -7.131 1.00 15.00 H new ATOM 0 HA LEU A 88 -3.256 -1.207 -7.337 1.00 15.00 H new ATOM 0 HB2 LEU A 88 -2.146 -3.919 -8.010 1.00 15.00 H new ATOM 0 HB3 LEU A 88 -3.872 -3.728 -7.771 1.00 15.00 H new ATOM 0 HG LEU A 88 -4.103 -2.287 -9.622 1.00 15.00 H new ATOM 0 HD11 LEU A 88 -2.203 -1.321 -10.858 1.00 15.00 H new ATOM 0 HD12 LEU A 88 -2.222 -0.796 -9.158 1.00 15.00 H new ATOM 0 HD13 LEU A 88 -1.077 -2.051 -9.689 1.00 15.00 H new ATOM 0 HD21 LEU A 88 -3.083 -3.535 -11.490 1.00 15.00 H new ATOM 0 HD22 LEU A 88 -1.996 -4.354 -10.343 1.00 15.00 H new ATOM 0 HD23 LEU A 88 -3.753 -4.627 -10.255 1.00 15.00 H new ATOM 1307 N LEU A 89 -3.859 -1.626 -4.960 1.00 15.00 N ATOM 1308 CA LEU A 89 -4.343 -1.901 -3.613 1.00 15.00 C ATOM 1309 C LEU A 89 -5.843 -2.156 -3.597 1.00 15.00 C ATOM 1310 O LEU A 89 -6.459 -2.411 -4.632 1.00 15.00 O ATOM 1311 CB LEU A 89 -4.015 -0.733 -2.677 1.00 15.00 C ATOM 1312 CG LEU A 89 -2.951 0.230 -3.191 1.00 15.00 C ATOM 1313 CD1 LEU A 89 -2.915 1.490 -2.344 1.00 15.00 C ATOM 1314 CD2 LEU A 89 -1.596 -0.446 -3.200 1.00 15.00 C ATOM 0 H LEU A 89 -4.097 -0.699 -5.312 1.00 15.00 H new ATOM 0 HA LEU A 89 -3.837 -2.802 -3.265 1.00 15.00 H new ATOM 0 HB2 LEU A 89 -4.930 -0.171 -2.488 1.00 15.00 H new ATOM 0 HB3 LEU A 89 -3.685 -1.137 -1.720 1.00 15.00 H new ATOM 0 HG LEU A 89 -3.204 0.515 -4.212 1.00 15.00 H new ATOM 0 HD11 LEU A 89 -2.149 2.164 -2.727 1.00 15.00 H new ATOM 0 HD12 LEU A 89 -3.886 1.983 -2.384 1.00 15.00 H new ATOM 0 HD13 LEU A 89 -2.684 1.228 -1.312 1.00 15.00 H new ATOM 0 HD21 LEU A 89 -0.844 0.251 -3.569 1.00 15.00 H new ATOM 0 HD22 LEU A 89 -1.337 -0.756 -2.188 1.00 15.00 H new ATOM 0 HD23 LEU A 89 -1.630 -1.320 -3.850 1.00 15.00 H new ATOM 1326 N GLU A 90 -6.422 -2.072 -2.405 1.00 15.00 N ATOM 1327 CA GLU A 90 -7.851 -2.278 -2.225 1.00 15.00 C ATOM 1328 C GLU A 90 -8.384 -1.366 -1.125 1.00 15.00 C ATOM 1329 O GLU A 90 -7.781 -1.244 -0.058 1.00 15.00 O ATOM 1330 CB GLU A 90 -8.140 -3.749 -1.897 1.00 15.00 C ATOM 1331 CG GLU A 90 -9.371 -3.971 -1.028 1.00 15.00 C ATOM 1332 CD GLU A 90 -9.678 -5.440 -0.816 1.00 15.00 C ATOM 1333 OE1 GLU A 90 -8.741 -6.202 -0.498 1.00 15.00 O ATOM 1334 OE2 GLU A 90 -10.856 -5.829 -0.967 1.00 15.00 O ATOM 0 H GLU A 90 -5.918 -1.861 -1.544 1.00 15.00 H new ATOM 0 HA GLU A 90 -8.361 -2.027 -3.155 1.00 15.00 H new ATOM 0 HB2 GLU A 90 -8.265 -4.299 -2.830 1.00 15.00 H new ATOM 0 HB3 GLU A 90 -7.272 -4.173 -1.391 1.00 15.00 H new ATOM 0 HG2 GLU A 90 -9.219 -3.492 -0.061 1.00 15.00 H new ATOM 0 HG3 GLU A 90 -10.231 -3.487 -1.492 1.00 15.00 H new ATOM 1341 N LYS A 91 -9.516 -0.726 -1.394 1.00 15.00 N ATOM 1342 CA LYS A 91 -10.133 0.178 -0.430 1.00 15.00 C ATOM 1343 C LYS A 91 -10.212 -0.466 0.951 1.00 15.00 C ATOM 1344 O LYS A 91 -11.052 -1.331 1.199 1.00 15.00 O ATOM 1345 CB LYS A 91 -11.528 0.578 -0.908 1.00 15.00 C ATOM 1346 CG LYS A 91 -11.996 1.917 -0.364 1.00 15.00 C ATOM 1347 CD LYS A 91 -11.421 3.073 -1.165 1.00 15.00 C ATOM 1348 CE LYS A 91 -11.679 4.408 -0.483 1.00 15.00 C ATOM 1349 NZ LYS A 91 -12.218 5.420 -1.433 1.00 15.00 N ATOM 0 H LYS A 91 -10.026 -0.816 -2.273 1.00 15.00 H new ATOM 0 HA LYS A 91 -9.513 1.071 -0.351 1.00 15.00 H new ATOM 0 HB2 LYS A 91 -11.533 0.616 -1.997 1.00 15.00 H new ATOM 0 HB3 LYS A 91 -12.239 -0.193 -0.613 1.00 15.00 H new ATOM 0 HG2 LYS A 91 -13.085 1.961 -0.389 1.00 15.00 H new ATOM 0 HG3 LYS A 91 -11.697 2.012 0.680 1.00 15.00 H new ATOM 0 HD2 LYS A 91 -10.348 2.930 -1.293 1.00 15.00 H new ATOM 0 HD3 LYS A 91 -11.862 3.081 -2.162 1.00 15.00 H new ATOM 0 HE2 LYS A 91 -12.384 4.267 0.336 1.00 15.00 H new ATOM 0 HE3 LYS A 91 -10.752 4.778 -0.046 1.00 15.00 H new ATOM 0 HZ1 LYS A 91 -12.381 6.316 -0.930 1.00 15.00 H new ATOM 0 HZ2 LYS A 91 -11.534 5.573 -2.202 1.00 15.00 H new ATOM 0 HZ3 LYS A 91 -13.116 5.079 -1.831 1.00 15.00 H new ATOM 1363 N GLY A 92 -9.325 -0.040 1.845 1.00 15.00 N ATOM 1364 CA GLY A 92 -9.300 -0.586 3.189 1.00 15.00 C ATOM 1365 C GLY A 92 -10.585 -0.325 3.950 1.00 15.00 C ATOM 1366 O GLY A 92 -11.371 0.546 3.577 1.00 15.00 O ATOM 0 H GLY A 92 -8.622 0.675 1.661 1.00 15.00 H new ATOM 0 HA2 GLY A 92 -9.125 -1.661 3.137 1.00 15.00 H new ATOM 0 HA3 GLY A 92 -8.463 -0.153 3.737 1.00 15.00 H new ATOM 1370 N GLN A 93 -10.796 -1.082 5.021 1.00 15.00 N ATOM 1371 CA GLN A 93 -11.993 -0.932 5.841 1.00 15.00 C ATOM 1372 C GLN A 93 -11.806 0.171 6.878 1.00 15.00 C ATOM 1373 O GLN A 93 -11.070 0.004 7.850 1.00 15.00 O ATOM 1374 CB GLN A 93 -12.325 -2.252 6.540 1.00 15.00 C ATOM 1375 CG GLN A 93 -11.135 -2.882 7.246 1.00 15.00 C ATOM 1376 CD GLN A 93 -11.471 -3.356 8.646 1.00 15.00 C ATOM 1377 OE1 GLN A 93 -12.541 -3.916 8.885 1.00 15.00 O ATOM 1378 NE2 GLN A 93 -10.556 -3.132 9.583 1.00 15.00 N ATOM 0 H GLN A 93 -10.153 -1.806 5.342 1.00 15.00 H new ATOM 0 HA GLN A 93 -12.820 -0.656 5.187 1.00 15.00 H new ATOM 0 HB2 GLN A 93 -13.119 -2.079 7.267 1.00 15.00 H new ATOM 0 HB3 GLN A 93 -12.715 -2.955 5.804 1.00 15.00 H new ATOM 0 HG2 GLN A 93 -10.773 -3.726 6.658 1.00 15.00 H new ATOM 0 HG3 GLN A 93 -10.322 -2.157 7.297 1.00 15.00 H new ATOM 0 HE21 GLN A 93 -9.682 -2.664 9.341 1.00 15.00 H new ATOM 0 HE22 GLN A 93 -10.727 -3.428 10.544 1.00 15.00 H new ATOM 1387 N SER A 94 -12.477 1.298 6.664 1.00 15.00 N ATOM 1388 CA SER A 94 -12.384 2.427 7.581 1.00 15.00 C ATOM 1389 C SER A 94 -12.893 2.043 8.970 1.00 15.00 C ATOM 1390 O SER A 94 -13.979 1.478 9.104 1.00 15.00 O ATOM 1391 CB SER A 94 -13.184 3.615 7.043 1.00 15.00 C ATOM 1392 OG SER A 94 -12.363 4.478 6.276 1.00 15.00 O ATOM 0 H SER A 94 -13.091 1.453 5.864 1.00 15.00 H new ATOM 0 HA SER A 94 -11.335 2.711 7.663 1.00 15.00 H new ATOM 0 HB2 SER A 94 -14.010 3.254 6.430 1.00 15.00 H new ATOM 0 HB3 SER A 94 -13.622 4.168 7.874 1.00 15.00 H new ATOM 0 HG SER A 94 -12.898 5.228 5.942 1.00 15.00 H new ATOM 1398 N PRO A 95 -12.116 2.344 10.027 1.00 15.00 N ATOM 1399 CA PRO A 95 -12.502 2.023 11.405 1.00 15.00 C ATOM 1400 C PRO A 95 -13.887 2.556 11.756 1.00 15.00 C ATOM 1401 O PRO A 95 -14.604 1.965 12.564 1.00 15.00 O ATOM 1402 CB PRO A 95 -11.432 2.720 12.249 1.00 15.00 C ATOM 1403 CG PRO A 95 -10.251 2.831 11.348 1.00 15.00 C ATOM 1404 CD PRO A 95 -10.805 3.017 9.963 1.00 15.00 C ATOM 0 HA PRO A 95 -12.559 0.947 11.571 1.00 15.00 H new ATOM 0 HB2 PRO A 95 -11.769 3.701 12.583 1.00 15.00 H new ATOM 0 HB3 PRO A 95 -11.195 2.143 13.143 1.00 15.00 H new ATOM 0 HG2 PRO A 95 -9.620 3.673 11.633 1.00 15.00 H new ATOM 0 HG3 PRO A 95 -9.632 1.936 11.404 1.00 15.00 H new ATOM 0 HD2 PRO A 95 -10.907 4.072 9.709 1.00 15.00 H new ATOM 0 HD3 PRO A 95 -10.159 2.568 9.208 1.00 15.00 H new ATOM 1412 N THR A 96 -14.257 3.676 11.144 1.00 15.00 N ATOM 1413 CA THR A 96 -15.557 4.289 11.393 1.00 15.00 C ATOM 1414 C THR A 96 -16.584 3.822 10.366 1.00 15.00 C ATOM 1415 O THR A 96 -17.621 3.263 10.781 1.00 15.00 O ATOM 1416 CB THR A 96 -15.440 5.814 11.356 1.00 15.00 C ATOM 1417 OG1 THR A 96 -14.445 6.218 10.432 1.00 15.00 O ATOM 1418 CG2 THR A 96 -15.093 6.420 12.699 1.00 15.00 C ATOM 1419 OXT THR A 96 -16.343 4.019 9.157 1.00 15.00 O ATOM 0 H THR A 96 -13.676 4.177 10.472 1.00 15.00 H new ATOM 0 HA THR A 96 -15.893 3.981 12.383 1.00 15.00 H new ATOM 0 HB THR A 96 -16.425 6.173 11.057 1.00 15.00 H new ATOM 0 HG1 THR A 96 -14.386 7.196 10.421 1.00 15.00 H new ATOM 0 HG21 THR A 96 -15.025 7.504 12.603 1.00 15.00 H new ATOM 0 HG22 THR A 96 -15.868 6.168 13.423 1.00 15.00 H new ATOM 0 HG23 THR A 96 -14.136 6.026 13.040 1.00 15.00 H new TER 1427 THR A 96