USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=18 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 13 LYS NZ :NH3+ -172:sc= 0.911 (180deg=0.914) USER MOD Set 1.2: A 17 SER OG : rot -150:sc= 0.0273 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -3.24 K(o=-3.2,f=-5.9!) USER MOD Single : A 16 ASN : amide:sc=-0.00364 X(o=-0.0036,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0685 USER MOD Single : A 27 ASN : amide:sc= -1.83 K(o=-1.8,f=-0.65) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.169 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.0063) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.104 USER MOD Single : A 38 LYS NZ :NH3+ -127:sc= -1.19 (180deg=-3.39!) USER MOD Single : A 43 GLN : amide:sc= -0.264 X(o=-0.26,f=-0.038) USER MOD Single : A 48 SER OG : rot 50:sc= 0.268 USER MOD Single : A 53 HIS : no HD1:sc= -0.898 K(o=-0.9,f=-1.9) USER MOD Single : A 54 LYS NZ :NH3+ -139:sc= -0.444 (180deg=-1.72!) USER MOD Single : A 62 ASN : amide:sc= -5.25! C(o=-5.2!,f=-3.8!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 71 HIS : no HD1:sc= -12.9! C(o=-13!,f=-11!) USER MOD Single : A 72 LYS NZ :NH3+ 164:sc= -0.0099 (180deg=-0.157) USER MOD Single : A 73 GLN : amide:sc= -0.188 K(o=-0.19,f=-3!) USER MOD Single : A 77 THR OG1 : rot 15:sc= -1.84! USER MOD Single : A 80 ASN : amide:sc= 0.938 K(o=0.94,f=-0.57) USER MOD Single : A 81 THR OG1 : rot -88:sc= -0.574 USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 86 HIS : no HD1:sc= -0.331 X(o=-0.33,f=-0.14) USER MOD Single : A 91 LYS NZ :NH3+ 143:sc= -0.0155 (180deg=-0.155) USER MOD Single : A 93 GLN : amide:sc= -1.11 K(o=-1.1,f=-5.5!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 65:sc= 0.0788 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -20.855 1.494 4.419 1.00 15.00 N ATOM 2 CA PRO A 1 -19.567 2.167 4.740 1.00 15.00 C ATOM 3 C PRO A 1 -18.366 1.292 4.387 1.00 15.00 C ATOM 4 O PRO A 1 -17.394 1.219 5.140 1.00 15.00 O ATOM 5 CB PRO A 1 -19.577 2.489 6.233 1.00 15.00 C ATOM 6 CG PRO A 1 -20.819 1.840 6.744 1.00 15.00 C ATOM 7 CD PRO A 1 -21.753 1.719 5.563 1.00 15.00 C ATOM 0 H2 PRO A 1 -20.712 0.496 4.263 1.00 15.00 H new ATOM 0 H3 PRO A 1 -21.258 1.875 3.563 1.00 15.00 H new ATOM 0 HA PRO A 1 -19.471 3.077 4.147 1.00 15.00 H new ATOM 0 HB2 PRO A 1 -18.690 2.096 6.730 1.00 15.00 H new ATOM 0 HB3 PRO A 1 -19.590 3.565 6.407 1.00 15.00 H new ATOM 0 HG2 PRO A 1 -20.599 0.860 7.167 1.00 15.00 H new ATOM 0 HG3 PRO A 1 -21.271 2.436 7.537 1.00 15.00 H new ATOM 0 HD2 PRO A 1 -22.452 0.892 5.690 1.00 15.00 H new ATOM 0 HD3 PRO A 1 -22.348 2.622 5.431 1.00 15.00 H new ATOM 17 N LYS A 2 -18.441 0.629 3.237 1.00 15.00 N ATOM 18 CA LYS A 2 -17.361 -0.240 2.785 1.00 15.00 C ATOM 19 C LYS A 2 -17.378 -0.386 1.265 1.00 15.00 C ATOM 20 O LYS A 2 -18.012 -1.293 0.726 1.00 15.00 O ATOM 21 CB LYS A 2 -17.478 -1.617 3.444 1.00 15.00 C ATOM 22 CG LYS A 2 -17.557 -1.559 4.961 1.00 15.00 C ATOM 23 CD LYS A 2 -17.568 -2.951 5.574 1.00 15.00 C ATOM 24 CE LYS A 2 -18.935 -3.299 6.143 1.00 15.00 C ATOM 25 NZ LYS A 2 -19.724 -4.150 5.211 1.00 15.00 N ATOM 0 H LYS A 2 -19.238 0.677 2.602 1.00 15.00 H new ATOM 0 HA LYS A 2 -16.415 0.216 3.076 1.00 15.00 H new ATOM 0 HB2 LYS A 2 -18.366 -2.120 3.061 1.00 15.00 H new ATOM 0 HB3 LYS A 2 -16.619 -2.223 3.156 1.00 15.00 H new ATOM 0 HG2 LYS A 2 -16.708 -0.997 5.349 1.00 15.00 H new ATOM 0 HG3 LYS A 2 -18.458 -1.022 5.259 1.00 15.00 H new ATOM 0 HD2 LYS A 2 -17.290 -3.685 4.818 1.00 15.00 H new ATOM 0 HD3 LYS A 2 -16.819 -3.008 6.364 1.00 15.00 H new ATOM 0 HE2 LYS A 2 -18.811 -3.819 7.093 1.00 15.00 H new ATOM 0 HE3 LYS A 2 -19.486 -2.382 6.351 1.00 15.00 H new ATOM 0 HZ1 LYS A 2 -20.649 -4.365 5.636 1.00 15.00 H new ATOM 0 HZ2 LYS A 2 -19.864 -3.644 4.313 1.00 15.00 H new ATOM 0 HZ3 LYS A 2 -19.211 -5.037 5.032 1.00 15.00 H new ATOM 39 N PRO A 3 -16.676 0.512 0.551 1.00 15.00 N ATOM 40 CA PRO A 3 -16.611 0.481 -0.914 1.00 15.00 C ATOM 41 C PRO A 3 -16.271 -0.905 -1.453 1.00 15.00 C ATOM 42 O PRO A 3 -17.060 -1.509 -2.178 1.00 15.00 O ATOM 43 CB PRO A 3 -15.492 1.472 -1.237 1.00 15.00 C ATOM 44 CG PRO A 3 -15.501 2.429 -0.096 1.00 15.00 C ATOM 45 CD PRO A 3 -15.891 1.626 1.115 1.00 15.00 C ATOM 0 HA PRO A 3 -17.568 0.733 -1.371 1.00 15.00 H new ATOM 0 HB2 PRO A 3 -14.529 0.969 -1.325 1.00 15.00 H new ATOM 0 HB3 PRO A 3 -15.674 1.981 -2.184 1.00 15.00 H new ATOM 0 HG2 PRO A 3 -14.520 2.886 0.038 1.00 15.00 H new ATOM 0 HG3 PRO A 3 -16.209 3.239 -0.272 1.00 15.00 H new ATOM 0 HD2 PRO A 3 -15.016 1.267 1.657 1.00 15.00 H new ATOM 0 HD3 PRO A 3 -16.480 2.217 1.816 1.00 15.00 H new ATOM 53 N GLY A 4 -15.090 -1.405 -1.100 1.00 15.00 N ATOM 54 CA GLY A 4 -14.677 -2.716 -1.564 1.00 15.00 C ATOM 55 C GLY A 4 -13.964 -2.665 -2.902 1.00 15.00 C ATOM 56 O GLY A 4 -13.232 -3.589 -3.256 1.00 15.00 O ATOM 0 H GLY A 4 -14.415 -0.927 -0.503 1.00 15.00 H new ATOM 0 HA2 GLY A 4 -14.018 -3.168 -0.823 1.00 15.00 H new ATOM 0 HA3 GLY A 4 -15.553 -3.360 -1.648 1.00 15.00 H new ATOM 60 N ASP A 5 -14.178 -1.585 -3.647 1.00 15.00 N ATOM 61 CA ASP A 5 -13.549 -1.422 -4.951 1.00 15.00 C ATOM 62 C ASP A 5 -12.036 -1.386 -4.823 1.00 15.00 C ATOM 63 O ASP A 5 -11.491 -1.049 -3.772 1.00 15.00 O ATOM 64 CB ASP A 5 -14.049 -0.146 -5.629 1.00 15.00 C ATOM 65 CG ASP A 5 -15.275 -0.389 -6.487 1.00 15.00 C ATOM 66 OD1 ASP A 5 -16.054 -1.310 -6.162 1.00 15.00 O ATOM 67 OD2 ASP A 5 -15.457 0.341 -7.484 1.00 15.00 O ATOM 0 H ASP A 5 -14.782 -0.811 -3.370 1.00 15.00 H new ATOM 0 HA ASP A 5 -13.822 -2.279 -5.567 1.00 15.00 H new ATOM 0 HB2 ASP A 5 -14.283 0.598 -4.868 1.00 15.00 H new ATOM 0 HB3 ASP A 5 -13.253 0.269 -6.247 1.00 15.00 H new ATOM 72 N ILE A 6 -11.371 -1.753 -5.905 1.00 15.00 N ATOM 73 CA ILE A 6 -9.922 -1.790 -5.945 1.00 15.00 C ATOM 74 C ILE A 6 -9.362 -0.586 -6.699 1.00 15.00 C ATOM 75 O ILE A 6 -9.944 -0.136 -7.686 1.00 15.00 O ATOM 76 CB ILE A 6 -9.450 -3.093 -6.626 1.00 15.00 C ATOM 77 CG1 ILE A 6 -9.129 -4.156 -5.575 1.00 15.00 C ATOM 78 CG2 ILE A 6 -8.240 -2.847 -7.524 1.00 15.00 C ATOM 79 CD1 ILE A 6 -10.286 -4.456 -4.647 1.00 15.00 C ATOM 0 H ILE A 6 -11.820 -2.033 -6.777 1.00 15.00 H new ATOM 0 HA ILE A 6 -9.553 -1.756 -4.920 1.00 15.00 H new ATOM 0 HB ILE A 6 -10.263 -3.454 -7.256 1.00 15.00 H new ATOM 0 HG12 ILE A 6 -8.830 -5.075 -6.079 1.00 15.00 H new ATOM 0 HG13 ILE A 6 -8.276 -3.825 -4.983 1.00 15.00 H new ATOM 0 HG21 ILE A 6 -7.934 -3.785 -7.987 1.00 15.00 H new ATOM 0 HG22 ILE A 6 -8.503 -2.128 -8.300 1.00 15.00 H new ATOM 0 HG23 ILE A 6 -7.418 -2.452 -6.927 1.00 15.00 H new ATOM 0 HD11 ILE A 6 -9.987 -5.219 -3.928 1.00 15.00 H new ATOM 0 HD12 ILE A 6 -10.571 -3.548 -4.116 1.00 15.00 H new ATOM 0 HD13 ILE A 6 -11.134 -4.818 -5.228 1.00 15.00 H new ATOM 91 N PHE A 7 -8.221 -0.085 -6.243 1.00 15.00 N ATOM 92 CA PHE A 7 -7.579 1.047 -6.897 1.00 15.00 C ATOM 93 C PHE A 7 -6.065 0.861 -6.926 1.00 15.00 C ATOM 94 O PHE A 7 -5.521 0.027 -6.206 1.00 15.00 O ATOM 95 CB PHE A 7 -7.954 2.364 -6.205 1.00 15.00 C ATOM 96 CG PHE A 7 -7.154 2.673 -4.967 1.00 15.00 C ATOM 97 CD1 PHE A 7 -5.833 3.084 -5.062 1.00 15.00 C ATOM 98 CD2 PHE A 7 -7.728 2.563 -3.711 1.00 15.00 C ATOM 99 CE1 PHE A 7 -5.101 3.379 -3.928 1.00 15.00 C ATOM 100 CE2 PHE A 7 -7.000 2.855 -2.574 1.00 15.00 C ATOM 101 CZ PHE A 7 -5.685 3.264 -2.683 1.00 15.00 C ATOM 0 H PHE A 7 -7.724 -0.443 -5.427 1.00 15.00 H new ATOM 0 HA PHE A 7 -7.937 1.095 -7.925 1.00 15.00 H new ATOM 0 HB2 PHE A 7 -7.829 3.181 -6.916 1.00 15.00 H new ATOM 0 HB3 PHE A 7 -9.011 2.332 -5.940 1.00 15.00 H new ATOM 0 HD1 PHE A 7 -5.371 3.175 -6.034 1.00 15.00 H new ATOM 0 HD2 PHE A 7 -8.756 2.245 -3.620 1.00 15.00 H new ATOM 0 HE1 PHE A 7 -4.073 3.699 -4.016 1.00 15.00 H new ATOM 0 HE2 PHE A 7 -7.459 2.764 -1.600 1.00 15.00 H new ATOM 0 HZ PHE A 7 -5.115 3.493 -1.795 1.00 15.00 H new ATOM 111 N GLU A 8 -5.394 1.635 -7.771 1.00 15.00 N ATOM 112 CA GLU A 8 -3.944 1.546 -7.902 1.00 15.00 C ATOM 113 C GLU A 8 -3.289 2.916 -7.779 1.00 15.00 C ATOM 114 O GLU A 8 -3.813 3.920 -8.261 1.00 15.00 O ATOM 115 CB GLU A 8 -3.580 0.931 -9.249 1.00 15.00 C ATOM 116 CG GLU A 8 -4.246 1.621 -10.424 1.00 15.00 C ATOM 117 CD GLU A 8 -4.211 0.787 -11.689 1.00 15.00 C ATOM 118 OE1 GLU A 8 -4.325 -0.453 -11.587 1.00 15.00 O ATOM 119 OE2 GLU A 8 -4.071 1.374 -12.783 1.00 15.00 O ATOM 0 H GLU A 8 -5.830 2.331 -8.376 1.00 15.00 H new ATOM 0 HA GLU A 8 -3.575 0.915 -7.094 1.00 15.00 H new ATOM 0 HB2 GLU A 8 -2.498 0.971 -9.378 1.00 15.00 H new ATOM 0 HB3 GLU A 8 -3.862 -0.122 -9.248 1.00 15.00 H new ATOM 0 HG2 GLU A 8 -5.282 1.844 -10.169 1.00 15.00 H new ATOM 0 HG3 GLU A 8 -3.751 2.574 -10.608 1.00 15.00 H new ATOM 126 N VAL A 9 -2.128 2.931 -7.145 1.00 15.00 N ATOM 127 CA VAL A 9 -1.356 4.153 -6.959 1.00 15.00 C ATOM 128 C VAL A 9 -0.220 4.197 -7.970 1.00 15.00 C ATOM 129 O VAL A 9 0.679 3.357 -7.944 1.00 15.00 O ATOM 130 CB VAL A 9 -0.803 4.275 -5.513 1.00 15.00 C ATOM 131 CG1 VAL A 9 -0.798 2.923 -4.812 1.00 15.00 C ATOM 132 CG2 VAL A 9 0.593 4.891 -5.498 1.00 15.00 C ATOM 0 H VAL A 9 -1.693 2.100 -6.745 1.00 15.00 H new ATOM 0 HA VAL A 9 -2.021 5.001 -7.120 1.00 15.00 H new ATOM 0 HB VAL A 9 -1.469 4.942 -4.966 1.00 15.00 H new ATOM 0 HG11 VAL A 9 -0.406 3.039 -3.802 1.00 15.00 H new ATOM 0 HG12 VAL A 9 -1.815 2.534 -4.764 1.00 15.00 H new ATOM 0 HG13 VAL A 9 -0.169 2.227 -5.368 1.00 15.00 H new ATOM 0 HG21 VAL A 9 0.949 4.961 -4.470 1.00 15.00 H new ATOM 0 HG22 VAL A 9 1.273 4.265 -6.075 1.00 15.00 H new ATOM 0 HG23 VAL A 9 0.556 5.888 -5.938 1.00 15.00 H new ATOM 142 N GLU A 10 -0.281 5.162 -8.874 1.00 15.00 N ATOM 143 CA GLU A 10 0.730 5.291 -9.911 1.00 15.00 C ATOM 144 C GLU A 10 1.676 6.460 -9.658 1.00 15.00 C ATOM 145 O GLU A 10 1.631 7.471 -10.360 1.00 15.00 O ATOM 146 CB GLU A 10 0.052 5.447 -11.266 1.00 15.00 C ATOM 147 CG GLU A 10 1.024 5.580 -12.428 1.00 15.00 C ATOM 148 CD GLU A 10 0.617 6.664 -13.407 1.00 15.00 C ATOM 149 OE1 GLU A 10 0.445 7.822 -12.973 1.00 15.00 O ATOM 150 OE2 GLU A 10 0.469 6.353 -14.608 1.00 15.00 O ATOM 0 H GLU A 10 -1.018 5.866 -8.911 1.00 15.00 H new ATOM 0 HA GLU A 10 1.335 4.384 -9.899 1.00 15.00 H new ATOM 0 HB2 GLU A 10 -0.592 4.585 -11.441 1.00 15.00 H new ATOM 0 HB3 GLU A 10 -0.592 6.326 -11.241 1.00 15.00 H new ATOM 0 HG2 GLU A 10 2.019 5.800 -12.041 1.00 15.00 H new ATOM 0 HG3 GLU A 10 1.089 4.627 -12.953 1.00 15.00 H new ATOM 157 N LEU A 11 2.551 6.305 -8.672 1.00 15.00 N ATOM 158 CA LEU A 11 3.528 7.339 -8.354 1.00 15.00 C ATOM 159 C LEU A 11 4.784 7.128 -9.192 1.00 15.00 C ATOM 160 O LEU A 11 4.952 6.075 -9.801 1.00 15.00 O ATOM 161 CB LEU A 11 3.876 7.315 -6.863 1.00 15.00 C ATOM 162 CG LEU A 11 4.096 8.688 -6.215 1.00 15.00 C ATOM 163 CD1 LEU A 11 2.947 9.636 -6.536 1.00 15.00 C ATOM 164 CD2 LEU A 11 4.264 8.541 -4.709 1.00 15.00 C ATOM 0 H LEU A 11 2.604 5.476 -8.080 1.00 15.00 H new ATOM 0 HA LEU A 11 3.098 8.313 -8.586 1.00 15.00 H new ATOM 0 HB2 LEU A 11 3.075 6.804 -6.329 1.00 15.00 H new ATOM 0 HB3 LEU A 11 4.779 6.720 -6.728 1.00 15.00 H new ATOM 0 HG LEU A 11 5.009 9.117 -6.628 1.00 15.00 H new ATOM 0 HD11 LEU A 11 3.129 10.601 -6.064 1.00 15.00 H new ATOM 0 HD12 LEU A 11 2.875 9.768 -7.616 1.00 15.00 H new ATOM 0 HD13 LEU A 11 2.014 9.218 -6.158 1.00 15.00 H new ATOM 0 HD21 LEU A 11 4.419 9.523 -4.263 1.00 15.00 H new ATOM 0 HD22 LEU A 11 3.368 8.088 -4.285 1.00 15.00 H new ATOM 0 HD23 LEU A 11 5.125 7.907 -4.499 1.00 15.00 H new ATOM 176 N ALA A 12 5.661 8.122 -9.231 1.00 15.00 N ATOM 177 CA ALA A 12 6.889 8.010 -10.011 1.00 15.00 C ATOM 178 C ALA A 12 8.058 7.562 -9.142 1.00 15.00 C ATOM 179 O ALA A 12 8.729 8.380 -8.512 1.00 15.00 O ATOM 180 CB ALA A 12 7.212 9.327 -10.695 1.00 15.00 C ATOM 0 H ALA A 12 5.548 9.007 -8.737 1.00 15.00 H new ATOM 0 HA ALA A 12 6.728 7.250 -10.776 1.00 15.00 H new ATOM 0 HB1 ALA A 12 8.131 9.222 -11.271 1.00 15.00 H new ATOM 0 HB2 ALA A 12 6.395 9.600 -11.362 1.00 15.00 H new ATOM 0 HB3 ALA A 12 7.342 10.105 -9.943 1.00 15.00 H new ATOM 186 N LYS A 13 8.296 6.256 -9.119 1.00 15.00 N ATOM 187 CA LYS A 13 9.383 5.685 -8.335 1.00 15.00 C ATOM 188 C LYS A 13 10.730 6.273 -8.754 1.00 15.00 C ATOM 189 O LYS A 13 11.671 6.324 -7.963 1.00 15.00 O ATOM 190 CB LYS A 13 9.398 4.163 -8.498 1.00 15.00 C ATOM 191 CG LYS A 13 9.887 3.423 -7.266 1.00 15.00 C ATOM 192 CD LYS A 13 11.303 3.828 -6.901 1.00 15.00 C ATOM 193 CE LYS A 13 11.316 4.809 -5.740 1.00 15.00 C ATOM 194 NZ LYS A 13 12.588 5.580 -5.676 1.00 15.00 N ATOM 0 H LYS A 13 7.747 5.570 -9.637 1.00 15.00 H new ATOM 0 HA LYS A 13 9.218 5.933 -7.287 1.00 15.00 H new ATOM 0 HB2 LYS A 13 8.391 3.822 -8.740 1.00 15.00 H new ATOM 0 HB3 LYS A 13 10.035 3.903 -9.344 1.00 15.00 H new ATOM 0 HG2 LYS A 13 9.221 3.629 -6.428 1.00 15.00 H new ATOM 0 HG3 LYS A 13 9.850 2.349 -7.447 1.00 15.00 H new ATOM 0 HD2 LYS A 13 11.880 2.942 -6.637 1.00 15.00 H new ATOM 0 HD3 LYS A 13 11.789 4.279 -7.766 1.00 15.00 H new ATOM 0 HE2 LYS A 13 10.478 5.499 -5.839 1.00 15.00 H new ATOM 0 HE3 LYS A 13 11.173 4.267 -4.805 1.00 15.00 H new ATOM 0 HZ1 LYS A 13 12.613 6.136 -4.798 1.00 15.00 H new ATOM 0 HZ2 LYS A 13 13.394 4.923 -5.692 1.00 15.00 H new ATOM 0 HZ3 LYS A 13 12.647 6.220 -6.493 1.00 15.00 H new ATOM 208 N ASN A 14 10.814 6.720 -10.000 1.00 15.00 N ATOM 209 CA ASN A 14 12.047 7.299 -10.523 1.00 15.00 C ATOM 210 C ASN A 14 12.153 8.775 -10.156 1.00 15.00 C ATOM 211 O ASN A 14 13.244 9.282 -9.896 1.00 15.00 O ATOM 212 CB ASN A 14 12.102 7.146 -12.044 1.00 15.00 C ATOM 213 CG ASN A 14 12.419 5.729 -12.478 1.00 15.00 C ATOM 214 OD1 ASN A 14 12.953 4.934 -11.705 1.00 15.00 O ATOM 215 ND2 ASN A 14 12.090 5.407 -13.724 1.00 15.00 N ATOM 0 H ASN A 14 10.044 6.693 -10.668 1.00 15.00 H new ATOM 0 HA ASN A 14 12.885 6.765 -10.075 1.00 15.00 H new ATOM 0 HB2 ASN A 14 11.145 7.447 -12.470 1.00 15.00 H new ATOM 0 HB3 ASN A 14 12.856 7.822 -12.446 1.00 15.00 H new ATOM 0 HD21 ASN A 14 12.279 4.468 -14.075 1.00 15.00 H new ATOM 0 HD22 ASN A 14 11.649 6.099 -14.330 1.00 15.00 H new ATOM 222 N ASP A 15 11.014 9.458 -10.125 1.00 15.00 N ATOM 223 CA ASP A 15 10.988 10.873 -9.777 1.00 15.00 C ATOM 224 C ASP A 15 11.286 11.059 -8.294 1.00 15.00 C ATOM 225 O ASP A 15 12.041 11.950 -7.906 1.00 15.00 O ATOM 226 CB ASP A 15 9.627 11.481 -10.119 1.00 15.00 C ATOM 227 CG ASP A 15 9.718 12.961 -10.434 1.00 15.00 C ATOM 228 OD1 ASP A 15 10.723 13.376 -11.049 1.00 15.00 O ATOM 229 OD2 ASP A 15 8.784 13.705 -10.066 1.00 15.00 O ATOM 0 H ASP A 15 10.100 9.056 -10.336 1.00 15.00 H new ATOM 0 HA ASP A 15 11.756 11.385 -10.357 1.00 15.00 H new ATOM 0 HB2 ASP A 15 9.202 10.956 -10.974 1.00 15.00 H new ATOM 0 HB3 ASP A 15 8.945 11.332 -9.282 1.00 15.00 H new ATOM 234 N ASN A 16 10.687 10.205 -7.471 1.00 15.00 N ATOM 235 CA ASN A 16 10.883 10.261 -6.028 1.00 15.00 C ATOM 236 C ASN A 16 10.384 8.978 -5.367 1.00 15.00 C ATOM 237 O ASN A 16 9.628 8.215 -5.967 1.00 15.00 O ATOM 238 CB ASN A 16 10.154 11.473 -5.440 1.00 15.00 C ATOM 239 CG ASN A 16 11.032 12.275 -4.499 1.00 15.00 C ATOM 240 OD1 ASN A 16 11.650 13.262 -4.898 1.00 15.00 O ATOM 241 ND2 ASN A 16 11.091 11.853 -3.241 1.00 15.00 N ATOM 0 H ASN A 16 10.059 9.463 -7.781 1.00 15.00 H new ATOM 0 HA ASN A 16 11.950 10.360 -5.830 1.00 15.00 H new ATOM 0 HB2 ASN A 16 9.812 12.116 -6.251 1.00 15.00 H new ATOM 0 HB3 ASN A 16 9.266 11.135 -4.905 1.00 15.00 H new ATOM 0 HD21 ASN A 16 11.665 12.352 -2.562 1.00 15.00 H new ATOM 0 HD22 ASN A 16 10.562 11.030 -2.954 1.00 15.00 H new ATOM 248 N SER A 17 10.806 8.750 -4.128 1.00 15.00 N ATOM 249 CA SER A 17 10.393 7.562 -3.388 1.00 15.00 C ATOM 250 C SER A 17 9.064 7.813 -2.688 1.00 15.00 C ATOM 251 O SER A 17 8.351 8.754 -3.024 1.00 15.00 O ATOM 252 CB SER A 17 11.455 7.180 -2.357 1.00 15.00 C ATOM 253 OG SER A 17 11.959 5.878 -2.600 1.00 15.00 O ATOM 0 H SER A 17 11.433 9.370 -3.615 1.00 15.00 H new ATOM 0 HA SER A 17 10.275 6.740 -4.095 1.00 15.00 H new ATOM 0 HB2 SER A 17 12.272 7.901 -2.388 1.00 15.00 H new ATOM 0 HB3 SER A 17 11.027 7.226 -1.356 1.00 15.00 H new ATOM 0 HG SER A 17 12.235 5.470 -1.752 1.00 15.00 H new ATOM 259 N LEU A 18 8.735 6.978 -1.709 1.00 15.00 N ATOM 260 CA LEU A 18 7.491 7.143 -0.974 1.00 15.00 C ATOM 261 C LEU A 18 7.744 7.807 0.374 1.00 15.00 C ATOM 262 O LEU A 18 8.834 8.316 0.634 1.00 15.00 O ATOM 263 CB LEU A 18 6.788 5.796 -0.772 1.00 15.00 C ATOM 264 CG LEU A 18 6.861 4.840 -1.964 1.00 15.00 C ATOM 265 CD1 LEU A 18 6.267 3.488 -1.601 1.00 15.00 C ATOM 266 CD2 LEU A 18 6.144 5.435 -3.166 1.00 15.00 C ATOM 0 H LEU A 18 9.307 6.188 -1.410 1.00 15.00 H new ATOM 0 HA LEU A 18 6.840 7.787 -1.565 1.00 15.00 H new ATOM 0 HB2 LEU A 18 7.224 5.303 0.097 1.00 15.00 H new ATOM 0 HB3 LEU A 18 5.740 5.982 -0.539 1.00 15.00 H new ATOM 0 HG LEU A 18 7.909 4.694 -2.226 1.00 15.00 H new ATOM 0 HD11 LEU A 18 6.328 2.821 -2.461 1.00 15.00 H new ATOM 0 HD12 LEU A 18 6.824 3.058 -0.768 1.00 15.00 H new ATOM 0 HD13 LEU A 18 5.223 3.615 -1.313 1.00 15.00 H new ATOM 0 HD21 LEU A 18 6.205 4.743 -4.006 1.00 15.00 H new ATOM 0 HD22 LEU A 18 5.098 5.610 -2.916 1.00 15.00 H new ATOM 0 HD23 LEU A 18 6.615 6.379 -3.440 1.00 15.00 H new ATOM 278 N GLY A 19 6.727 7.798 1.225 1.00 15.00 N ATOM 279 CA GLY A 19 6.846 8.401 2.536 1.00 15.00 C ATOM 280 C GLY A 19 5.735 7.964 3.457 1.00 15.00 C ATOM 281 O GLY A 19 5.183 8.769 4.201 1.00 15.00 O ATOM 0 H GLY A 19 5.817 7.381 1.028 1.00 15.00 H new ATOM 0 HA2 GLY A 19 7.808 8.132 2.974 1.00 15.00 H new ATOM 0 HA3 GLY A 19 6.832 9.487 2.439 1.00 15.00 H new ATOM 285 N ILE A 20 5.396 6.687 3.387 1.00 15.00 N ATOM 286 CA ILE A 20 4.335 6.131 4.207 1.00 15.00 C ATOM 287 C ILE A 20 4.873 5.143 5.233 1.00 15.00 C ATOM 288 O ILE A 20 5.720 4.305 4.923 1.00 15.00 O ATOM 289 CB ILE A 20 3.269 5.440 3.328 1.00 15.00 C ATOM 290 CG1 ILE A 20 1.907 6.077 3.575 1.00 15.00 C ATOM 291 CG2 ILE A 20 3.215 3.949 3.608 1.00 15.00 C ATOM 292 CD1 ILE A 20 0.738 5.146 3.352 1.00 15.00 C ATOM 0 H ILE A 20 5.844 6.013 2.766 1.00 15.00 H new ATOM 0 HA ILE A 20 3.876 6.962 4.743 1.00 15.00 H new ATOM 0 HB ILE A 20 3.543 5.574 2.281 1.00 15.00 H new ATOM 0 HG12 ILE A 20 1.872 6.447 4.600 1.00 15.00 H new ATOM 0 HG13 ILE A 20 1.799 6.942 2.920 1.00 15.00 H new ATOM 0 HG21 ILE A 20 2.456 3.487 2.976 1.00 15.00 H new ATOM 0 HG22 ILE A 20 4.186 3.503 3.394 1.00 15.00 H new ATOM 0 HG23 ILE A 20 2.963 3.784 4.656 1.00 15.00 H new ATOM 0 HD11 ILE A 20 -0.193 5.677 3.549 1.00 15.00 H new ATOM 0 HD12 ILE A 20 0.744 4.795 2.320 1.00 15.00 H new ATOM 0 HD13 ILE A 20 0.819 4.293 4.026 1.00 15.00 H new ATOM 304 N SER A 21 4.336 5.215 6.440 1.00 15.00 N ATOM 305 CA SER A 21 4.714 4.295 7.496 1.00 15.00 C ATOM 306 C SER A 21 3.713 3.148 7.491 1.00 15.00 C ATOM 307 O SER A 21 2.588 3.297 7.964 1.00 15.00 O ATOM 308 CB SER A 21 4.729 5.005 8.853 1.00 15.00 C ATOM 309 OG SER A 21 4.868 4.077 9.915 1.00 15.00 O ATOM 0 H SER A 21 3.635 5.904 6.712 1.00 15.00 H new ATOM 0 HA SER A 21 5.721 3.913 7.324 1.00 15.00 H new ATOM 0 HB2 SER A 21 5.550 5.721 8.883 1.00 15.00 H new ATOM 0 HB3 SER A 21 3.807 5.572 8.980 1.00 15.00 H new ATOM 0 HG SER A 21 4.876 4.557 10.770 1.00 15.00 H new ATOM 315 N VAL A 22 4.102 2.024 6.901 1.00 15.00 N ATOM 316 CA VAL A 22 3.199 0.883 6.783 1.00 15.00 C ATOM 317 C VAL A 22 3.363 -0.110 7.927 1.00 15.00 C ATOM 318 O VAL A 22 4.436 -0.229 8.518 1.00 15.00 O ATOM 319 CB VAL A 22 3.391 0.147 5.433 1.00 15.00 C ATOM 320 CG1 VAL A 22 3.674 1.130 4.306 1.00 15.00 C ATOM 321 CG2 VAL A 22 4.505 -0.885 5.522 1.00 15.00 C ATOM 0 H VAL A 22 5.028 1.877 6.500 1.00 15.00 H new ATOM 0 HA VAL A 22 2.190 1.293 6.830 1.00 15.00 H new ATOM 0 HB VAL A 22 2.459 -0.372 5.211 1.00 15.00 H new ATOM 0 HG11 VAL A 22 3.804 0.584 3.371 1.00 15.00 H new ATOM 0 HG12 VAL A 22 2.838 1.822 4.209 1.00 15.00 H new ATOM 0 HG13 VAL A 22 4.583 1.688 4.530 1.00 15.00 H new ATOM 0 HG21 VAL A 22 4.616 -1.385 4.560 1.00 15.00 H new ATOM 0 HG22 VAL A 22 5.440 -0.389 5.783 1.00 15.00 H new ATOM 0 HG23 VAL A 22 4.259 -1.621 6.287 1.00 15.00 H new ATOM 331 N THR A 23 2.281 -0.826 8.222 1.00 15.00 N ATOM 332 CA THR A 23 2.280 -1.822 9.282 1.00 15.00 C ATOM 333 C THR A 23 1.307 -2.957 8.957 1.00 15.00 C ATOM 334 O THR A 23 0.731 -3.000 7.867 1.00 15.00 O ATOM 335 CB THR A 23 1.921 -1.172 10.619 1.00 15.00 C ATOM 336 OG1 THR A 23 2.112 -2.082 11.688 1.00 15.00 O ATOM 337 CG2 THR A 23 0.495 -0.684 10.681 1.00 15.00 C ATOM 0 H THR A 23 1.389 -0.731 7.736 1.00 15.00 H new ATOM 0 HA THR A 23 3.281 -2.245 9.359 1.00 15.00 H new ATOM 0 HB THR A 23 2.586 -0.313 10.710 1.00 15.00 H new ATOM 0 HG1 THR A 23 1.879 -1.646 12.534 1.00 15.00 H new ATOM 0 HG21 THR A 23 0.307 -0.234 11.656 1.00 15.00 H new ATOM 0 HG22 THR A 23 0.330 0.059 9.900 1.00 15.00 H new ATOM 0 HG23 THR A 23 -0.184 -1.524 10.532 1.00 15.00 H new ATOM 345 N GLY A 24 1.132 -3.878 9.902 1.00 15.00 N ATOM 346 CA GLY A 24 0.233 -5.000 9.688 1.00 15.00 C ATOM 347 C GLY A 24 0.828 -6.040 8.761 1.00 15.00 C ATOM 348 O GLY A 24 1.844 -6.654 9.083 1.00 15.00 O ATOM 0 H GLY A 24 1.596 -3.867 10.810 1.00 15.00 H new ATOM 0 HA2 GLY A 24 -0.003 -5.462 10.646 1.00 15.00 H new ATOM 0 HA3 GLY A 24 -0.706 -4.637 9.269 1.00 15.00 H new ATOM 352 N GLY A 25 0.204 -6.223 7.601 1.00 15.00 N ATOM 353 CA GLY A 25 0.700 -7.180 6.627 1.00 15.00 C ATOM 354 C GLY A 25 0.658 -8.619 7.105 1.00 15.00 C ATOM 355 O GLY A 25 -0.065 -9.441 6.543 1.00 15.00 O ATOM 0 H GLY A 25 -0.639 -5.724 7.317 1.00 15.00 H new ATOM 0 HA2 GLY A 25 0.111 -7.093 5.714 1.00 15.00 H new ATOM 0 HA3 GLY A 25 1.727 -6.923 6.369 1.00 15.00 H new ATOM 359 N VAL A 26 1.452 -8.923 8.133 1.00 15.00 N ATOM 360 CA VAL A 26 1.536 -10.276 8.696 1.00 15.00 C ATOM 361 C VAL A 26 0.223 -11.044 8.561 1.00 15.00 C ATOM 362 O VAL A 26 -0.861 -10.466 8.648 1.00 15.00 O ATOM 363 CB VAL A 26 1.943 -10.243 10.183 1.00 15.00 C ATOM 364 CG1 VAL A 26 3.444 -10.439 10.331 1.00 15.00 C ATOM 365 CG2 VAL A 26 1.504 -8.939 10.831 1.00 15.00 C ATOM 0 H VAL A 26 2.053 -8.243 8.599 1.00 15.00 H new ATOM 0 HA VAL A 26 2.302 -10.793 8.118 1.00 15.00 H new ATOM 0 HB VAL A 26 1.439 -11.063 10.694 1.00 15.00 H new ATOM 0 HG11 VAL A 26 3.712 -10.413 11.387 1.00 15.00 H new ATOM 0 HG12 VAL A 26 3.729 -11.403 9.908 1.00 15.00 H new ATOM 0 HG13 VAL A 26 3.969 -9.642 9.804 1.00 15.00 H new ATOM 0 HG21 VAL A 26 1.801 -8.936 11.880 1.00 15.00 H new ATOM 0 HG22 VAL A 26 1.976 -8.101 10.318 1.00 15.00 H new ATOM 0 HG23 VAL A 26 0.420 -8.844 10.760 1.00 15.00 H new ATOM 375 N ASN A 27 0.333 -12.352 8.345 1.00 15.00 N ATOM 376 CA ASN A 27 -0.839 -13.207 8.194 1.00 15.00 C ATOM 377 C ASN A 27 -1.443 -13.554 9.553 1.00 15.00 C ATOM 378 O ASN A 27 -1.596 -14.726 9.896 1.00 15.00 O ATOM 379 CB ASN A 27 -0.465 -14.491 7.448 1.00 15.00 C ATOM 380 CG ASN A 27 0.420 -14.228 6.244 1.00 15.00 C ATOM 381 OD1 ASN A 27 -0.066 -14.069 5.124 1.00 15.00 O ATOM 382 ND2 ASN A 27 1.728 -14.182 6.470 1.00 15.00 N ATOM 0 H ASN A 27 1.224 -12.843 8.271 1.00 15.00 H new ATOM 0 HA ASN A 27 -1.584 -12.660 7.616 1.00 15.00 H new ATOM 0 HB2 ASN A 27 0.048 -15.168 8.131 1.00 15.00 H new ATOM 0 HB3 ASN A 27 -1.374 -14.996 7.123 1.00 15.00 H new ATOM 0 HD21 ASN A 27 2.373 -14.009 5.699 1.00 15.00 H new ATOM 0 HD22 ASN A 27 2.087 -14.319 7.415 1.00 15.00 H new ATOM 389 N THR A 28 -1.785 -12.526 10.324 1.00 15.00 N ATOM 390 CA THR A 28 -2.373 -12.722 11.644 1.00 15.00 C ATOM 391 C THR A 28 -3.275 -11.549 12.010 1.00 15.00 C ATOM 392 O THR A 28 -4.488 -11.705 12.150 1.00 15.00 O ATOM 393 CB THR A 28 -1.274 -12.886 12.696 1.00 15.00 C ATOM 394 OG1 THR A 28 -0.058 -13.290 12.092 1.00 15.00 O ATOM 395 CG2 THR A 28 -1.616 -13.902 13.764 1.00 15.00 C ATOM 0 H THR A 28 -1.665 -11.549 10.057 1.00 15.00 H new ATOM 0 HA THR A 28 -2.976 -13.629 11.618 1.00 15.00 H new ATOM 0 HB THR A 28 -1.175 -11.908 13.166 1.00 15.00 H new ATOM 0 HG1 THR A 28 0.633 -13.388 12.780 1.00 15.00 H new ATOM 0 HG21 THR A 28 -0.795 -13.970 14.478 1.00 15.00 H new ATOM 0 HG22 THR A 28 -2.524 -13.593 14.283 1.00 15.00 H new ATOM 0 HG23 THR A 28 -1.776 -14.876 13.302 1.00 15.00 H new ATOM 403 N SER A 29 -2.674 -10.373 12.158 1.00 15.00 N ATOM 404 CA SER A 29 -3.424 -9.171 12.501 1.00 15.00 C ATOM 405 C SER A 29 -4.358 -8.779 11.361 1.00 15.00 C ATOM 406 O SER A 29 -5.541 -8.516 11.576 1.00 15.00 O ATOM 407 CB SER A 29 -2.467 -8.019 12.813 1.00 15.00 C ATOM 408 OG SER A 29 -2.930 -7.254 13.912 1.00 15.00 O ATOM 0 H SER A 29 -1.671 -10.227 12.046 1.00 15.00 H new ATOM 0 HA SER A 29 -4.024 -9.382 13.386 1.00 15.00 H new ATOM 0 HB2 SER A 29 -1.476 -8.415 13.034 1.00 15.00 H new ATOM 0 HB3 SER A 29 -2.366 -7.378 11.937 1.00 15.00 H new ATOM 0 HG SER A 29 -2.300 -6.525 14.092 1.00 15.00 H new ATOM 414 N VAL A 30 -3.817 -8.750 10.148 1.00 15.00 N ATOM 415 CA VAL A 30 -4.598 -8.398 8.970 1.00 15.00 C ATOM 416 C VAL A 30 -5.267 -9.634 8.375 1.00 15.00 C ATOM 417 O VAL A 30 -5.249 -10.708 8.975 1.00 15.00 O ATOM 418 CB VAL A 30 -3.719 -7.727 7.896 1.00 15.00 C ATOM 419 CG1 VAL A 30 -3.115 -6.438 8.431 1.00 15.00 C ATOM 420 CG2 VAL A 30 -2.630 -8.679 7.423 1.00 15.00 C ATOM 0 H VAL A 30 -2.839 -8.967 9.956 1.00 15.00 H new ATOM 0 HA VAL A 30 -5.364 -7.691 9.289 1.00 15.00 H new ATOM 0 HB VAL A 30 -4.348 -7.480 7.041 1.00 15.00 H new ATOM 0 HG11 VAL A 30 -2.498 -5.978 7.660 1.00 15.00 H new ATOM 0 HG12 VAL A 30 -3.913 -5.752 8.714 1.00 15.00 H new ATOM 0 HG13 VAL A 30 -2.500 -6.659 9.304 1.00 15.00 H new ATOM 0 HG21 VAL A 30 -2.020 -8.187 6.665 1.00 15.00 H new ATOM 0 HG22 VAL A 30 -2.001 -8.961 8.268 1.00 15.00 H new ATOM 0 HG23 VAL A 30 -3.087 -9.572 6.997 1.00 15.00 H new ATOM 430 N ARG A 31 -5.859 -9.478 7.195 1.00 15.00 N ATOM 431 CA ARG A 31 -6.533 -10.587 6.530 1.00 15.00 C ATOM 432 C ARG A 31 -5.588 -11.315 5.579 1.00 15.00 C ATOM 433 O ARG A 31 -4.962 -10.700 4.716 1.00 15.00 O ATOM 434 CB ARG A 31 -7.756 -10.085 5.762 1.00 15.00 C ATOM 435 CG ARG A 31 -8.555 -9.028 6.509 1.00 15.00 C ATOM 436 CD ARG A 31 -9.641 -8.424 5.632 1.00 15.00 C ATOM 437 NE ARG A 31 -10.974 -8.618 6.199 1.00 15.00 N ATOM 438 CZ ARG A 31 -11.375 -8.085 7.351 1.00 15.00 C ATOM 439 NH1 ARG A 31 -10.550 -7.325 8.061 1.00 15.00 N ATOM 440 NH2 ARG A 31 -12.605 -8.311 7.793 1.00 15.00 N ATOM 0 H ARG A 31 -5.886 -8.597 6.681 1.00 15.00 H new ATOM 0 HA ARG A 31 -6.856 -11.289 7.299 1.00 15.00 H new ATOM 0 HB2 ARG A 31 -7.430 -9.674 4.806 1.00 15.00 H new ATOM 0 HB3 ARG A 31 -8.407 -10.931 5.540 1.00 15.00 H new ATOM 0 HG2 ARG A 31 -9.008 -9.472 7.396 1.00 15.00 H new ATOM 0 HG3 ARG A 31 -7.885 -8.240 6.854 1.00 15.00 H new ATOM 0 HD2 ARG A 31 -9.453 -7.358 5.505 1.00 15.00 H new ATOM 0 HD3 ARG A 31 -9.599 -8.876 4.641 1.00 15.00 H new ATOM 0 HE ARG A 31 -11.636 -9.196 5.681 1.00 15.00 H new ATOM 0 HH11 ARG A 31 -9.604 -7.147 7.724 1.00 15.00 H new ATOM 0 HH12 ARG A 31 -10.862 -6.919 8.943 1.00 15.00 H new ATOM 0 HH21 ARG A 31 -13.243 -8.893 7.250 1.00 15.00 H new ATOM 0 HH22 ARG A 31 -12.913 -7.903 8.676 1.00 15.00 H new ATOM 454 N HIS A 32 -5.497 -12.630 5.744 1.00 15.00 N ATOM 455 CA HIS A 32 -4.638 -13.457 4.903 1.00 15.00 C ATOM 456 C HIS A 32 -3.178 -13.003 4.976 1.00 15.00 C ATOM 457 O HIS A 32 -2.391 -13.548 5.749 1.00 15.00 O ATOM 458 CB HIS A 32 -5.133 -13.432 3.453 1.00 15.00 C ATOM 459 CG HIS A 32 -6.551 -13.884 3.297 1.00 15.00 C ATOM 460 ND1 HIS A 32 -7.515 -13.129 2.663 1.00 15.00 N ATOM 461 CD2 HIS A 32 -7.169 -15.021 3.697 1.00 15.00 C ATOM 462 CE1 HIS A 32 -8.664 -13.780 2.680 1.00 15.00 C ATOM 463 NE2 HIS A 32 -8.481 -14.931 3.301 1.00 15.00 N ATOM 0 H HIS A 32 -6.010 -13.149 6.456 1.00 15.00 H new ATOM 0 HA HIS A 32 -4.687 -14.479 5.277 1.00 15.00 H new ATOM 0 HB2 HIS A 32 -5.038 -12.419 3.063 1.00 15.00 H new ATOM 0 HB3 HIS A 32 -4.489 -14.069 2.847 1.00 15.00 H new ATOM 0 HD2 HIS A 32 -6.715 -15.844 4.228 1.00 15.00 H new ATOM 0 HE1 HIS A 32 -9.595 -13.431 2.258 1.00 15.00 H new ATOM 0 HE2 HIS A 32 -9.198 -15.639 3.461 1.00 15.00 H new ATOM 472 N GLY A 33 -2.821 -12.011 4.164 1.00 15.00 N ATOM 473 CA GLY A 33 -1.457 -11.510 4.150 1.00 15.00 C ATOM 474 C GLY A 33 -1.332 -10.206 3.389 1.00 15.00 C ATOM 475 O GLY A 33 -0.261 -9.877 2.879 1.00 15.00 O ATOM 0 H GLY A 33 -3.454 -11.544 3.514 1.00 15.00 H new ATOM 0 HA2 GLY A 33 -1.115 -11.364 5.175 1.00 15.00 H new ATOM 0 HA3 GLY A 33 -0.803 -12.256 3.699 1.00 15.00 H new ATOM 479 N GLY A 34 -2.424 -9.450 3.325 1.00 15.00 N ATOM 480 CA GLY A 34 -2.398 -8.175 2.639 1.00 15.00 C ATOM 481 C GLY A 34 -1.872 -7.089 3.547 1.00 15.00 C ATOM 482 O GLY A 34 -2.050 -7.164 4.763 1.00 15.00 O ATOM 0 H GLY A 34 -3.324 -9.699 3.736 1.00 15.00 H new ATOM 0 HA2 GLY A 34 -1.771 -8.248 1.750 1.00 15.00 H new ATOM 0 HA3 GLY A 34 -3.402 -7.918 2.301 1.00 15.00 H new ATOM 486 N ILE A 35 -1.212 -6.087 2.985 1.00 15.00 N ATOM 487 CA ILE A 35 -0.666 -5.021 3.810 1.00 15.00 C ATOM 488 C ILE A 35 -1.675 -3.907 4.032 1.00 15.00 C ATOM 489 O ILE A 35 -2.569 -3.680 3.218 1.00 15.00 O ATOM 490 CB ILE A 35 0.645 -4.445 3.224 1.00 15.00 C ATOM 491 CG1 ILE A 35 1.768 -4.549 4.267 1.00 15.00 C ATOM 492 CG2 ILE A 35 0.462 -3.005 2.747 1.00 15.00 C ATOM 493 CD1 ILE A 35 2.625 -3.307 4.399 1.00 15.00 C ATOM 0 H ILE A 35 -1.044 -5.990 1.984 1.00 15.00 H new ATOM 0 HA ILE A 35 -0.434 -5.471 4.775 1.00 15.00 H new ATOM 0 HB ILE A 35 0.922 -5.034 2.350 1.00 15.00 H new ATOM 0 HG12 ILE A 35 1.325 -4.773 5.237 1.00 15.00 H new ATOM 0 HG13 ILE A 35 2.410 -5.391 4.008 1.00 15.00 H new ATOM 0 HG21 ILE A 35 1.403 -2.634 2.342 1.00 15.00 H new ATOM 0 HG22 ILE A 35 -0.304 -2.973 1.973 1.00 15.00 H new ATOM 0 HG23 ILE A 35 0.156 -2.380 3.586 1.00 15.00 H new ATOM 0 HD11 ILE A 35 3.390 -3.472 5.157 1.00 15.00 H new ATOM 0 HD12 ILE A 35 3.102 -3.091 3.443 1.00 15.00 H new ATOM 0 HD13 ILE A 35 2.000 -2.463 4.692 1.00 15.00 H new ATOM 505 N TYR A 36 -1.507 -3.214 5.145 1.00 15.00 N ATOM 506 CA TYR A 36 -2.378 -2.107 5.508 1.00 15.00 C ATOM 507 C TYR A 36 -1.553 -0.979 6.102 1.00 15.00 C ATOM 508 O TYR A 36 -1.047 -1.090 7.219 1.00 15.00 O ATOM 509 CB TYR A 36 -3.438 -2.563 6.511 1.00 15.00 C ATOM 510 CG TYR A 36 -4.415 -3.571 5.950 1.00 15.00 C ATOM 511 CD1 TYR A 36 -4.024 -4.880 5.695 1.00 15.00 C ATOM 512 CD2 TYR A 36 -5.728 -3.213 5.677 1.00 15.00 C ATOM 513 CE1 TYR A 36 -4.915 -5.803 5.185 1.00 15.00 C ATOM 514 CE2 TYR A 36 -6.626 -4.130 5.166 1.00 15.00 C ATOM 515 CZ TYR A 36 -6.215 -5.424 4.922 1.00 15.00 C ATOM 516 OH TYR A 36 -7.106 -6.341 4.414 1.00 15.00 O ATOM 0 H TYR A 36 -0.766 -3.401 5.821 1.00 15.00 H new ATOM 0 HA TYR A 36 -2.883 -1.751 4.610 1.00 15.00 H new ATOM 0 HB2 TYR A 36 -2.941 -2.997 7.379 1.00 15.00 H new ATOM 0 HB3 TYR A 36 -3.991 -1.692 6.863 1.00 15.00 H new ATOM 0 HD1 TYR A 36 -3.007 -5.180 5.899 1.00 15.00 H new ATOM 0 HD2 TYR A 36 -6.053 -2.201 5.867 1.00 15.00 H new ATOM 0 HE1 TYR A 36 -4.596 -6.817 4.993 1.00 15.00 H new ATOM 0 HE2 TYR A 36 -7.644 -3.835 4.959 1.00 15.00 H new ATOM 0 HH TYR A 36 -7.979 -5.913 4.287 1.00 15.00 H new ATOM 526 N VAL A 37 -1.403 0.100 5.347 1.00 15.00 N ATOM 527 CA VAL A 37 -0.613 1.235 5.813 1.00 15.00 C ATOM 528 C VAL A 37 -1.125 1.753 7.151 1.00 15.00 C ATOM 529 O VAL A 37 -2.311 1.660 7.454 1.00 15.00 O ATOM 530 CB VAL A 37 -0.574 2.404 4.784 1.00 15.00 C ATOM 531 CG1 VAL A 37 -0.743 1.906 3.363 1.00 15.00 C ATOM 532 CG2 VAL A 37 -1.610 3.475 5.076 1.00 15.00 C ATOM 0 H VAL A 37 -1.812 0.215 4.420 1.00 15.00 H new ATOM 0 HA VAL A 37 0.404 0.862 5.934 1.00 15.00 H new ATOM 0 HB VAL A 37 0.413 2.855 4.886 1.00 15.00 H new ATOM 0 HG11 VAL A 37 -0.710 2.751 2.675 1.00 15.00 H new ATOM 0 HG12 VAL A 37 0.062 1.211 3.123 1.00 15.00 H new ATOM 0 HG13 VAL A 37 -1.702 1.397 3.267 1.00 15.00 H new ATOM 0 HG21 VAL A 37 -1.538 4.265 4.328 1.00 15.00 H new ATOM 0 HG22 VAL A 37 -2.607 3.035 5.044 1.00 15.00 H new ATOM 0 HG23 VAL A 37 -1.430 3.895 6.066 1.00 15.00 H new ATOM 542 N LYS A 38 -0.228 2.326 7.937 1.00 15.00 N ATOM 543 CA LYS A 38 -0.608 2.889 9.219 1.00 15.00 C ATOM 544 C LYS A 38 -1.137 4.297 8.990 1.00 15.00 C ATOM 545 O LYS A 38 -2.182 4.673 9.520 1.00 15.00 O ATOM 546 CB LYS A 38 0.578 2.897 10.189 1.00 15.00 C ATOM 547 CG LYS A 38 0.283 3.595 11.507 1.00 15.00 C ATOM 548 CD LYS A 38 -0.548 2.717 12.428 1.00 15.00 C ATOM 549 CE LYS A 38 -2.037 2.929 12.210 1.00 15.00 C ATOM 550 NZ LYS A 38 -2.680 1.750 11.566 1.00 15.00 N ATOM 0 H LYS A 38 0.763 2.413 7.710 1.00 15.00 H new ATOM 0 HA LYS A 38 -1.386 2.275 9.673 1.00 15.00 H new ATOM 0 HB2 LYS A 38 0.878 1.869 10.391 1.00 15.00 H new ATOM 0 HB3 LYS A 38 1.425 3.387 9.710 1.00 15.00 H new ATOM 0 HG2 LYS A 38 1.220 3.856 11.999 1.00 15.00 H new ATOM 0 HG3 LYS A 38 -0.247 4.528 11.315 1.00 15.00 H new ATOM 0 HD2 LYS A 38 -0.300 1.670 12.255 1.00 15.00 H new ATOM 0 HD3 LYS A 38 -0.297 2.937 13.466 1.00 15.00 H new ATOM 0 HE2 LYS A 38 -2.519 3.127 13.167 1.00 15.00 H new ATOM 0 HE3 LYS A 38 -2.190 3.811 11.588 1.00 15.00 H new ATOM 0 HZ1 LYS A 38 -3.204 2.058 10.722 1.00 15.00 H new ATOM 0 HZ2 LYS A 38 -1.949 1.064 11.289 1.00 15.00 H new ATOM 0 HZ3 LYS A 38 -3.337 1.303 12.237 1.00 15.00 H new ATOM 564 N ALA A 39 -0.416 5.063 8.170 1.00 15.00 N ATOM 565 CA ALA A 39 -0.820 6.418 7.831 1.00 15.00 C ATOM 566 C ALA A 39 0.079 6.980 6.739 1.00 15.00 C ATOM 567 O ALA A 39 1.085 6.369 6.388 1.00 15.00 O ATOM 568 CB ALA A 39 -0.805 7.305 9.061 1.00 15.00 C ATOM 0 H ALA A 39 0.453 4.762 7.730 1.00 15.00 H new ATOM 0 HA ALA A 39 -1.841 6.392 7.451 1.00 15.00 H new ATOM 0 HB1 ALA A 39 -1.110 8.314 8.785 1.00 15.00 H new ATOM 0 HB2 ALA A 39 -1.495 6.907 9.805 1.00 15.00 H new ATOM 0 HB3 ALA A 39 0.202 7.332 9.478 1.00 15.00 H new ATOM 574 N VAL A 40 -0.271 8.152 6.222 1.00 15.00 N ATOM 575 CA VAL A 40 0.532 8.794 5.182 1.00 15.00 C ATOM 576 C VAL A 40 1.460 9.816 5.825 1.00 15.00 C ATOM 577 O VAL A 40 1.011 10.834 6.351 1.00 15.00 O ATOM 578 CB VAL A 40 -0.335 9.488 4.102 1.00 15.00 C ATOM 579 CG1 VAL A 40 -0.248 8.736 2.782 1.00 15.00 C ATOM 580 CG2 VAL A 40 -1.784 9.608 4.551 1.00 15.00 C ATOM 0 H VAL A 40 -1.100 8.676 6.502 1.00 15.00 H new ATOM 0 HA VAL A 40 1.105 8.014 4.681 1.00 15.00 H new ATOM 0 HB VAL A 40 0.056 10.495 3.956 1.00 15.00 H new ATOM 0 HG11 VAL A 40 -0.863 9.238 2.036 1.00 15.00 H new ATOM 0 HG12 VAL A 40 0.788 8.714 2.443 1.00 15.00 H new ATOM 0 HG13 VAL A 40 -0.606 7.716 2.920 1.00 15.00 H new ATOM 0 HG21 VAL A 40 -2.367 10.099 3.772 1.00 15.00 H new ATOM 0 HG22 VAL A 40 -2.191 8.614 4.737 1.00 15.00 H new ATOM 0 HG23 VAL A 40 -1.834 10.197 5.467 1.00 15.00 H new ATOM 590 N ILE A 41 2.751 9.507 5.828 1.00 15.00 N ATOM 591 CA ILE A 41 3.739 10.367 6.465 1.00 15.00 C ATOM 592 C ILE A 41 4.112 11.592 5.628 1.00 15.00 C ATOM 593 O ILE A 41 4.691 11.470 4.546 1.00 15.00 O ATOM 594 CB ILE A 41 5.004 9.555 6.854 1.00 15.00 C ATOM 595 CG1 ILE A 41 4.718 8.642 8.056 1.00 15.00 C ATOM 596 CG2 ILE A 41 6.180 10.470 7.164 1.00 15.00 C ATOM 597 CD1 ILE A 41 3.299 8.113 8.117 1.00 15.00 C ATOM 0 H ILE A 41 3.137 8.667 5.396 1.00 15.00 H new ATOM 0 HA ILE A 41 3.270 10.753 7.370 1.00 15.00 H new ATOM 0 HB ILE A 41 5.270 8.937 5.996 1.00 15.00 H new ATOM 0 HG12 ILE A 41 5.407 7.798 8.027 1.00 15.00 H new ATOM 0 HG13 ILE A 41 4.927 9.193 8.973 1.00 15.00 H new ATOM 0 HG21 ILE A 41 7.048 9.868 7.432 1.00 15.00 H new ATOM 0 HG22 ILE A 41 6.413 11.073 6.286 1.00 15.00 H new ATOM 0 HG23 ILE A 41 5.922 11.125 7.996 1.00 15.00 H new ATOM 0 HD11 ILE A 41 3.185 7.478 8.996 1.00 15.00 H new ATOM 0 HD12 ILE A 41 2.602 8.948 8.180 1.00 15.00 H new ATOM 0 HD13 ILE A 41 3.089 7.531 7.219 1.00 15.00 H new ATOM 609 N PRO A 42 3.780 12.800 6.150 1.00 15.00 N ATOM 610 CA PRO A 42 4.069 14.081 5.487 1.00 15.00 C ATOM 611 C PRO A 42 5.565 14.328 5.294 1.00 15.00 C ATOM 612 O PRO A 42 6.111 15.303 5.810 1.00 15.00 O ATOM 613 CB PRO A 42 3.487 15.132 6.444 1.00 15.00 C ATOM 614 CG PRO A 42 2.529 14.388 7.305 1.00 15.00 C ATOM 615 CD PRO A 42 3.095 13.007 7.440 1.00 15.00 C ATOM 0 HA PRO A 42 3.642 14.107 4.484 1.00 15.00 H new ATOM 0 HB2 PRO A 42 4.271 15.599 7.040 1.00 15.00 H new ATOM 0 HB3 PRO A 42 2.986 15.929 5.895 1.00 15.00 H new ATOM 0 HG2 PRO A 42 2.425 14.866 8.279 1.00 15.00 H new ATOM 0 HG3 PRO A 42 1.536 14.362 6.855 1.00 15.00 H new ATOM 0 HD2 PRO A 42 3.786 12.935 8.280 1.00 15.00 H new ATOM 0 HD3 PRO A 42 2.314 12.265 7.605 1.00 15.00 H new ATOM 623 N GLN A 43 6.227 13.447 4.552 1.00 15.00 N ATOM 624 CA GLN A 43 7.652 13.585 4.304 1.00 15.00 C ATOM 625 C GLN A 43 8.030 13.054 2.922 1.00 15.00 C ATOM 626 O GLN A 43 8.746 13.716 2.170 1.00 15.00 O ATOM 627 CB GLN A 43 8.445 12.846 5.385 1.00 15.00 C ATOM 628 CG GLN A 43 9.937 12.775 5.108 1.00 15.00 C ATOM 629 CD GLN A 43 10.756 12.591 6.371 1.00 15.00 C ATOM 630 OE1 GLN A 43 11.561 11.665 6.472 1.00 15.00 O ATOM 631 NE2 GLN A 43 10.555 13.474 7.342 1.00 15.00 N ATOM 0 H GLN A 43 5.798 12.632 4.114 1.00 15.00 H new ATOM 0 HA GLN A 43 7.899 14.646 4.336 1.00 15.00 H new ATOM 0 HB2 GLN A 43 8.286 13.342 6.343 1.00 15.00 H new ATOM 0 HB3 GLN A 43 8.054 11.833 5.481 1.00 15.00 H new ATOM 0 HG2 GLN A 43 10.137 11.949 4.426 1.00 15.00 H new ATOM 0 HG3 GLN A 43 10.253 13.688 4.604 1.00 15.00 H new ATOM 0 HE21 GLN A 43 9.878 14.226 7.215 1.00 15.00 H new ATOM 0 HE22 GLN A 43 11.078 13.400 8.215 1.00 15.00 H new ATOM 640 N GLY A 44 7.561 11.853 2.596 1.00 15.00 N ATOM 641 CA GLY A 44 7.885 11.261 1.307 1.00 15.00 C ATOM 642 C GLY A 44 6.923 11.644 0.198 1.00 15.00 C ATOM 643 O GLY A 44 5.862 12.217 0.443 1.00 15.00 O ATOM 0 H GLY A 44 6.966 11.281 3.196 1.00 15.00 H new ATOM 0 HA2 GLY A 44 8.893 11.563 1.022 1.00 15.00 H new ATOM 0 HA3 GLY A 44 7.895 10.176 1.408 1.00 15.00 H new ATOM 647 N ALA A 45 7.310 11.313 -1.028 1.00 15.00 N ATOM 648 CA ALA A 45 6.511 11.612 -2.216 1.00 15.00 C ATOM 649 C ALA A 45 5.113 11.002 -2.156 1.00 15.00 C ATOM 650 O ALA A 45 4.244 11.361 -2.950 1.00 15.00 O ATOM 651 CB ALA A 45 7.231 11.122 -3.459 1.00 15.00 C ATOM 0 H ALA A 45 8.186 10.830 -1.229 1.00 15.00 H new ATOM 0 HA ALA A 45 6.389 12.694 -2.254 1.00 15.00 H new ATOM 0 HB1 ALA A 45 6.630 11.348 -4.340 1.00 15.00 H new ATOM 0 HB2 ALA A 45 8.197 11.621 -3.540 1.00 15.00 H new ATOM 0 HB3 ALA A 45 7.384 10.045 -3.390 1.00 15.00 H new ATOM 657 N ALA A 46 4.893 10.079 -1.228 1.00 15.00 N ATOM 658 CA ALA A 46 3.591 9.437 -1.104 1.00 15.00 C ATOM 659 C ALA A 46 2.566 10.405 -0.531 1.00 15.00 C ATOM 660 O ALA A 46 1.528 10.662 -1.149 1.00 15.00 O ATOM 661 CB ALA A 46 3.694 8.198 -0.229 1.00 15.00 C ATOM 0 H ALA A 46 5.592 9.761 -0.556 1.00 15.00 H new ATOM 0 HA ALA A 46 3.261 9.137 -2.098 1.00 15.00 H new ATOM 0 HB1 ALA A 46 2.714 7.729 -0.145 1.00 15.00 H new ATOM 0 HB2 ALA A 46 4.396 7.494 -0.676 1.00 15.00 H new ATOM 0 HB3 ALA A 46 4.046 8.481 0.763 1.00 15.00 H new ATOM 667 N GLU A 47 2.871 10.949 0.646 1.00 15.00 N ATOM 668 CA GLU A 47 1.986 11.909 1.296 1.00 15.00 C ATOM 669 C GLU A 47 1.738 13.107 0.380 1.00 15.00 C ATOM 670 O GLU A 47 0.613 13.593 0.262 1.00 15.00 O ATOM 671 CB GLU A 47 2.590 12.390 2.625 1.00 15.00 C ATOM 672 CG GLU A 47 3.823 13.252 2.423 1.00 15.00 C ATOM 673 CD GLU A 47 3.487 14.715 2.204 1.00 15.00 C ATOM 674 OE1 GLU A 47 2.376 15.133 2.593 1.00 15.00 O ATOM 675 OE2 GLU A 47 4.335 15.442 1.646 1.00 15.00 O ATOM 0 H GLU A 47 3.723 10.741 1.167 1.00 15.00 H new ATOM 0 HA GLU A 47 1.038 11.412 1.500 1.00 15.00 H new ATOM 0 HB2 GLU A 47 1.840 12.957 3.177 1.00 15.00 H new ATOM 0 HB3 GLU A 47 2.850 11.526 3.236 1.00 15.00 H new ATOM 0 HG2 GLU A 47 4.472 13.159 3.294 1.00 15.00 H new ATOM 0 HG3 GLU A 47 4.384 12.880 1.566 1.00 15.00 H new ATOM 682 N SER A 48 2.810 13.582 -0.260 1.00 15.00 N ATOM 683 CA SER A 48 2.730 14.729 -1.160 1.00 15.00 C ATOM 684 C SER A 48 1.665 14.503 -2.219 1.00 15.00 C ATOM 685 O SER A 48 0.604 15.128 -2.189 1.00 15.00 O ATOM 686 CB SER A 48 4.086 14.982 -1.823 1.00 15.00 C ATOM 687 OG SER A 48 4.695 16.154 -1.308 1.00 15.00 O ATOM 0 H SER A 48 3.746 13.186 -0.169 1.00 15.00 H new ATOM 0 HA SER A 48 2.457 15.606 -0.574 1.00 15.00 H new ATOM 0 HB2 SER A 48 4.740 14.126 -1.658 1.00 15.00 H new ATOM 0 HB3 SER A 48 3.955 15.080 -2.901 1.00 15.00 H new ATOM 0 HG SER A 48 4.682 16.126 -0.328 1.00 15.00 H new ATOM 693 N ASP A 49 1.939 13.592 -3.144 1.00 15.00 N ATOM 694 CA ASP A 49 0.982 13.277 -4.191 1.00 15.00 C ATOM 695 C ASP A 49 -0.318 12.813 -3.552 1.00 15.00 C ATOM 696 O ASP A 49 -1.410 13.184 -3.984 1.00 15.00 O ATOM 697 CB ASP A 49 1.534 12.190 -5.115 1.00 15.00 C ATOM 698 CG ASP A 49 2.219 12.765 -6.340 1.00 15.00 C ATOM 699 OD1 ASP A 49 3.153 13.577 -6.171 1.00 15.00 O ATOM 700 OD2 ASP A 49 1.822 12.404 -7.467 1.00 15.00 O ATOM 0 H ASP A 49 2.810 13.063 -3.189 1.00 15.00 H new ATOM 0 HA ASP A 49 0.798 14.169 -4.790 1.00 15.00 H new ATOM 0 HB2 ASP A 49 2.242 11.573 -4.562 1.00 15.00 H new ATOM 0 HB3 ASP A 49 0.720 11.537 -5.430 1.00 15.00 H new ATOM 705 N GLY A 50 -0.181 12.005 -2.506 1.00 15.00 N ATOM 706 CA GLY A 50 -1.337 11.504 -1.796 1.00 15.00 C ATOM 707 C GLY A 50 -1.963 10.324 -2.505 1.00 15.00 C ATOM 708 O GLY A 50 -3.187 10.219 -2.587 1.00 15.00 O ATOM 0 H GLY A 50 0.716 11.688 -2.138 1.00 15.00 H new ATOM 0 HA2 GLY A 50 -1.045 11.209 -0.788 1.00 15.00 H new ATOM 0 HA3 GLY A 50 -2.074 12.300 -1.694 1.00 15.00 H new ATOM 712 N ARG A 51 -1.125 9.437 -3.029 1.00 15.00 N ATOM 713 CA ARG A 51 -1.619 8.266 -3.746 1.00 15.00 C ATOM 714 C ARG A 51 -2.057 7.185 -2.770 1.00 15.00 C ATOM 715 O ARG A 51 -3.166 6.658 -2.865 1.00 15.00 O ATOM 716 CB ARG A 51 -0.549 7.715 -4.692 1.00 15.00 C ATOM 717 CG ARG A 51 -0.214 8.648 -5.843 1.00 15.00 C ATOM 718 CD ARG A 51 -1.139 8.425 -7.029 1.00 15.00 C ATOM 719 NE ARG A 51 -2.487 8.927 -6.775 1.00 15.00 N ATOM 720 CZ ARG A 51 -3.558 8.560 -7.474 1.00 15.00 C ATOM 721 NH1 ARG A 51 -3.444 7.687 -8.468 1.00 15.00 N ATOM 722 NH2 ARG A 51 -4.748 9.066 -7.179 1.00 15.00 N ATOM 0 H ARG A 51 -0.109 9.504 -2.972 1.00 15.00 H new ATOM 0 HA ARG A 51 -2.481 8.574 -4.338 1.00 15.00 H new ATOM 0 HB2 ARG A 51 0.358 7.514 -4.123 1.00 15.00 H new ATOM 0 HB3 ARG A 51 -0.890 6.762 -5.096 1.00 15.00 H new ATOM 0 HG2 ARG A 51 -0.292 9.682 -5.509 1.00 15.00 H new ATOM 0 HG3 ARG A 51 0.819 8.490 -6.152 1.00 15.00 H new ATOM 0 HD2 ARG A 51 -0.727 8.921 -7.908 1.00 15.00 H new ATOM 0 HD3 ARG A 51 -1.186 7.360 -7.257 1.00 15.00 H new ATOM 0 HE ARG A 51 -2.615 9.598 -6.018 1.00 15.00 H new ATOM 0 HH11 ARG A 51 -2.532 7.294 -8.699 1.00 15.00 H new ATOM 0 HH12 ARG A 51 -4.269 7.410 -9.000 1.00 15.00 H new ATOM 0 HH21 ARG A 51 -4.842 9.737 -6.416 1.00 15.00 H new ATOM 0 HH22 ARG A 51 -5.569 8.785 -7.715 1.00 15.00 H new ATOM 736 N ILE A 52 -1.184 6.867 -1.826 1.00 15.00 N ATOM 737 CA ILE A 52 -1.475 5.862 -0.826 1.00 15.00 C ATOM 738 C ILE A 52 -2.330 6.457 0.294 1.00 15.00 C ATOM 739 O ILE A 52 -2.384 7.676 0.457 1.00 15.00 O ATOM 740 CB ILE A 52 -0.170 5.285 -0.251 1.00 15.00 C ATOM 741 CG1 ILE A 52 -0.462 4.048 0.589 1.00 15.00 C ATOM 742 CG2 ILE A 52 0.574 6.338 0.558 1.00 15.00 C ATOM 743 CD1 ILE A 52 -1.185 2.966 -0.176 1.00 15.00 C ATOM 0 H ILE A 52 -0.263 7.296 -1.735 1.00 15.00 H new ATOM 0 HA ILE A 52 -2.034 5.055 -1.299 1.00 15.00 H new ATOM 0 HB ILE A 52 0.474 4.987 -1.079 1.00 15.00 H new ATOM 0 HG12 ILE A 52 0.476 3.648 0.972 1.00 15.00 H new ATOM 0 HG13 ILE A 52 -1.062 4.336 1.452 1.00 15.00 H new ATOM 0 HG21 ILE A 52 1.494 5.909 0.955 1.00 15.00 H new ATOM 0 HG22 ILE A 52 0.817 7.185 -0.083 1.00 15.00 H new ATOM 0 HG23 ILE A 52 -0.055 6.675 1.382 1.00 15.00 H new ATOM 0 HD11 ILE A 52 -1.362 2.113 0.480 1.00 15.00 H new ATOM 0 HD12 ILE A 52 -2.139 3.351 -0.537 1.00 15.00 H new ATOM 0 HD13 ILE A 52 -0.577 2.651 -1.024 1.00 15.00 H new ATOM 755 N HIS A 53 -3.009 5.602 1.053 1.00 15.00 N ATOM 756 CA HIS A 53 -3.867 6.070 2.137 1.00 15.00 C ATOM 757 C HIS A 53 -3.863 5.121 3.316 1.00 15.00 C ATOM 758 O HIS A 53 -3.509 3.951 3.199 1.00 15.00 O ATOM 759 CB HIS A 53 -5.297 6.279 1.636 1.00 15.00 C ATOM 760 CG HIS A 53 -5.408 7.311 0.557 1.00 15.00 C ATOM 761 ND1 HIS A 53 -5.150 7.042 -0.771 1.00 15.00 N ATOM 762 CD2 HIS A 53 -5.752 8.619 0.615 1.00 15.00 C ATOM 763 CE1 HIS A 53 -5.330 8.141 -1.483 1.00 15.00 C ATOM 764 NE2 HIS A 53 -5.696 9.111 -0.666 1.00 15.00 N ATOM 0 H HIS A 53 -2.983 4.589 0.939 1.00 15.00 H new ATOM 0 HA HIS A 53 -3.462 7.023 2.479 1.00 15.00 H new ATOM 0 HB2 HIS A 53 -5.685 5.331 1.262 1.00 15.00 H new ATOM 0 HB3 HIS A 53 -5.928 6.573 2.475 1.00 15.00 H new ATOM 0 HD2 HIS A 53 -6.020 9.172 1.503 1.00 15.00 H new ATOM 0 HE1 HIS A 53 -5.200 8.230 -2.551 1.00 15.00 H new ATOM 0 HE2 HIS A 53 -5.904 10.071 -0.942 1.00 15.00 H new ATOM 773 N LYS A 54 -4.243 5.666 4.461 1.00 15.00 N ATOM 774 CA LYS A 54 -4.279 4.927 5.710 1.00 15.00 C ATOM 775 C LYS A 54 -4.850 3.517 5.544 1.00 15.00 C ATOM 776 O LYS A 54 -5.895 3.324 4.924 1.00 15.00 O ATOM 777 CB LYS A 54 -5.100 5.699 6.746 1.00 15.00 C ATOM 778 CG LYS A 54 -4.275 6.234 7.903 1.00 15.00 C ATOM 779 CD LYS A 54 -5.109 6.371 9.166 1.00 15.00 C ATOM 780 CE LYS A 54 -5.270 5.035 9.875 1.00 15.00 C ATOM 781 NZ LYS A 54 -6.510 4.327 9.452 1.00 15.00 N ATOM 0 H LYS A 54 -4.536 6.639 4.549 1.00 15.00 H new ATOM 0 HA LYS A 54 -3.249 4.820 6.050 1.00 15.00 H new ATOM 0 HB2 LYS A 54 -5.600 6.532 6.252 1.00 15.00 H new ATOM 0 HB3 LYS A 54 -5.880 5.046 7.139 1.00 15.00 H new ATOM 0 HG2 LYS A 54 -3.435 5.566 8.091 1.00 15.00 H new ATOM 0 HG3 LYS A 54 -3.857 7.204 7.635 1.00 15.00 H new ATOM 0 HD2 LYS A 54 -4.637 7.087 9.839 1.00 15.00 H new ATOM 0 HD3 LYS A 54 -6.091 6.771 8.913 1.00 15.00 H new ATOM 0 HE2 LYS A 54 -4.404 4.407 9.666 1.00 15.00 H new ATOM 0 HE3 LYS A 54 -5.294 5.197 10.953 1.00 15.00 H new ATOM 0 HZ1 LYS A 54 -6.962 3.893 10.282 1.00 15.00 H new ATOM 0 HZ2 LYS A 54 -7.166 5.006 9.016 1.00 15.00 H new ATOM 0 HZ3 LYS A 54 -6.269 3.587 8.762 1.00 15.00 H new ATOM 795 N GLY A 55 -4.153 2.538 6.121 1.00 15.00 N ATOM 796 CA GLY A 55 -4.593 1.154 6.053 1.00 15.00 C ATOM 797 C GLY A 55 -4.931 0.698 4.649 1.00 15.00 C ATOM 798 O GLY A 55 -5.836 -0.116 4.462 1.00 15.00 O ATOM 0 H GLY A 55 -3.285 2.682 6.638 1.00 15.00 H new ATOM 0 HA2 GLY A 55 -3.811 0.512 6.457 1.00 15.00 H new ATOM 0 HA3 GLY A 55 -5.469 1.028 6.689 1.00 15.00 H new ATOM 802 N ASP A 56 -4.208 1.207 3.658 1.00 15.00 N ATOM 803 CA ASP A 56 -4.461 0.812 2.278 1.00 15.00 C ATOM 804 C ASP A 56 -4.129 -0.661 2.072 1.00 15.00 C ATOM 805 O ASP A 56 -3.065 -1.127 2.487 1.00 15.00 O ATOM 806 CB ASP A 56 -3.661 1.674 1.299 1.00 15.00 C ATOM 807 CG ASP A 56 -4.555 2.408 0.321 1.00 15.00 C ATOM 808 OD1 ASP A 56 -5.264 1.733 -0.456 1.00 15.00 O ATOM 809 OD2 ASP A 56 -4.549 3.656 0.333 1.00 15.00 O ATOM 0 H ASP A 56 -3.454 1.883 3.781 1.00 15.00 H new ATOM 0 HA ASP A 56 -5.522 0.965 2.079 1.00 15.00 H new ATOM 0 HB2 ASP A 56 -3.065 2.396 1.857 1.00 15.00 H new ATOM 0 HB3 ASP A 56 -2.963 1.043 0.748 1.00 15.00 H new ATOM 814 N ARG A 57 -5.039 -1.386 1.429 1.00 15.00 N ATOM 815 CA ARG A 57 -4.837 -2.804 1.163 1.00 15.00 C ATOM 816 C ARG A 57 -4.048 -2.998 -0.126 1.00 15.00 C ATOM 817 O ARG A 57 -4.621 -3.057 -1.214 1.00 15.00 O ATOM 818 CB ARG A 57 -6.182 -3.529 1.069 1.00 15.00 C ATOM 819 CG ARG A 57 -6.229 -4.820 1.870 1.00 15.00 C ATOM 820 CD ARG A 57 -5.898 -6.026 1.007 1.00 15.00 C ATOM 821 NE ARG A 57 -6.146 -7.285 1.706 1.00 15.00 N ATOM 822 CZ ARG A 57 -7.347 -7.848 1.816 1.00 15.00 C ATOM 823 NH1 ARG A 57 -8.412 -7.268 1.277 1.00 15.00 N ATOM 824 NH2 ARG A 57 -7.483 -8.995 2.468 1.00 15.00 N ATOM 0 H ARG A 57 -5.923 -1.014 1.083 1.00 15.00 H new ATOM 0 HA ARG A 57 -4.267 -3.229 1.990 1.00 15.00 H new ATOM 0 HB2 ARG A 57 -6.970 -2.863 1.420 1.00 15.00 H new ATOM 0 HB3 ARG A 57 -6.394 -3.751 0.023 1.00 15.00 H new ATOM 0 HG2 ARG A 57 -5.524 -4.760 2.699 1.00 15.00 H new ATOM 0 HG3 ARG A 57 -7.221 -4.944 2.304 1.00 15.00 H new ATOM 0 HD2 ARG A 57 -6.495 -5.994 0.095 1.00 15.00 H new ATOM 0 HD3 ARG A 57 -4.852 -5.979 0.705 1.00 15.00 H new ATOM 0 HE ARG A 57 -5.352 -7.760 2.135 1.00 15.00 H new ATOM 0 HH11 ARG A 57 -8.313 -6.386 0.775 1.00 15.00 H new ATOM 0 HH12 ARG A 57 -9.330 -7.705 1.365 1.00 15.00 H new ATOM 0 HH21 ARG A 57 -6.668 -9.445 2.884 1.00 15.00 H new ATOM 0 HH22 ARG A 57 -8.403 -9.427 2.553 1.00 15.00 H new ATOM 838 N VAL A 58 -2.728 -3.088 0.000 1.00 15.00 N ATOM 839 CA VAL A 58 -1.864 -3.265 -1.159 1.00 15.00 C ATOM 840 C VAL A 58 -1.782 -4.736 -1.566 1.00 15.00 C ATOM 841 O VAL A 58 -1.278 -5.577 -0.814 1.00 15.00 O ATOM 842 CB VAL A 58 -0.449 -2.693 -0.902 1.00 15.00 C ATOM 843 CG1 VAL A 58 -0.538 -1.378 -0.140 1.00 15.00 C ATOM 844 CG2 VAL A 58 0.426 -3.686 -0.147 1.00 15.00 C ATOM 0 H VAL A 58 -2.235 -3.041 0.892 1.00 15.00 H new ATOM 0 HA VAL A 58 -2.308 -2.707 -1.983 1.00 15.00 H new ATOM 0 HB VAL A 58 0.016 -2.509 -1.871 1.00 15.00 H new ATOM 0 HG11 VAL A 58 0.465 -0.989 0.033 1.00 15.00 H new ATOM 0 HG12 VAL A 58 -1.111 -0.657 -0.723 1.00 15.00 H new ATOM 0 HG13 VAL A 58 -1.032 -1.545 0.817 1.00 15.00 H new ATOM 0 HG21 VAL A 58 1.412 -3.251 0.016 1.00 15.00 H new ATOM 0 HG22 VAL A 58 -0.032 -3.917 0.815 1.00 15.00 H new ATOM 0 HG23 VAL A 58 0.525 -4.601 -0.731 1.00 15.00 H new ATOM 854 N LEU A 59 -2.305 -5.038 -2.754 1.00 15.00 N ATOM 855 CA LEU A 59 -2.313 -6.407 -3.267 1.00 15.00 C ATOM 856 C LEU A 59 -1.307 -6.613 -4.401 1.00 15.00 C ATOM 857 O LEU A 59 -0.991 -7.748 -4.752 1.00 15.00 O ATOM 858 CB LEU A 59 -3.713 -6.781 -3.755 1.00 15.00 C ATOM 859 CG LEU A 59 -4.758 -6.957 -2.653 1.00 15.00 C ATOM 860 CD1 LEU A 59 -4.252 -7.918 -1.588 1.00 15.00 C ATOM 861 CD2 LEU A 59 -5.111 -5.612 -2.037 1.00 15.00 C ATOM 0 H LEU A 59 -2.729 -4.352 -3.379 1.00 15.00 H new ATOM 0 HA LEU A 59 -2.019 -7.055 -2.441 1.00 15.00 H new ATOM 0 HB2 LEU A 59 -4.059 -6.010 -4.443 1.00 15.00 H new ATOM 0 HB3 LEU A 59 -3.647 -7.709 -4.323 1.00 15.00 H new ATOM 0 HG LEU A 59 -5.660 -7.380 -3.095 1.00 15.00 H new ATOM 0 HD11 LEU A 59 -5.008 -8.032 -0.811 1.00 15.00 H new ATOM 0 HD12 LEU A 59 -4.048 -8.888 -2.041 1.00 15.00 H new ATOM 0 HD13 LEU A 59 -3.336 -7.524 -1.148 1.00 15.00 H new ATOM 0 HD21 LEU A 59 -5.856 -5.755 -1.254 1.00 15.00 H new ATOM 0 HD22 LEU A 59 -4.216 -5.162 -1.608 1.00 15.00 H new ATOM 0 HD23 LEU A 59 -5.515 -4.954 -2.807 1.00 15.00 H new ATOM 873 N ALA A 60 -0.825 -5.524 -4.992 1.00 15.00 N ATOM 874 CA ALA A 60 0.120 -5.624 -6.102 1.00 15.00 C ATOM 875 C ALA A 60 1.107 -4.461 -6.126 1.00 15.00 C ATOM 876 O ALA A 60 0.769 -3.333 -5.770 1.00 15.00 O ATOM 877 CB ALA A 60 -0.637 -5.695 -7.420 1.00 15.00 C ATOM 0 H ALA A 60 -1.069 -4.570 -4.725 1.00 15.00 H new ATOM 0 HA ALA A 60 0.699 -6.537 -5.960 1.00 15.00 H new ATOM 0 HB1 ALA A 60 0.073 -5.769 -8.244 1.00 15.00 H new ATOM 0 HB2 ALA A 60 -1.286 -6.571 -7.420 1.00 15.00 H new ATOM 0 HB3 ALA A 60 -1.241 -4.796 -7.542 1.00 15.00 H new ATOM 883 N VAL A 61 2.325 -4.751 -6.573 1.00 15.00 N ATOM 884 CA VAL A 61 3.378 -3.747 -6.682 1.00 15.00 C ATOM 885 C VAL A 61 4.138 -3.959 -7.981 1.00 15.00 C ATOM 886 O VAL A 61 4.951 -4.876 -8.092 1.00 15.00 O ATOM 887 CB VAL A 61 4.371 -3.810 -5.502 1.00 15.00 C ATOM 888 CG1 VAL A 61 5.430 -2.728 -5.637 1.00 15.00 C ATOM 889 CG2 VAL A 61 3.642 -3.688 -4.173 1.00 15.00 C ATOM 0 H VAL A 61 2.609 -5.685 -6.869 1.00 15.00 H new ATOM 0 HA VAL A 61 2.902 -2.767 -6.665 1.00 15.00 H new ATOM 0 HB VAL A 61 4.867 -4.780 -5.526 1.00 15.00 H new ATOM 0 HG11 VAL A 61 6.121 -2.788 -4.796 1.00 15.00 H new ATOM 0 HG12 VAL A 61 5.978 -2.870 -6.568 1.00 15.00 H new ATOM 0 HG13 VAL A 61 4.951 -1.749 -5.644 1.00 15.00 H new ATOM 0 HG21 VAL A 61 4.363 -3.735 -3.357 1.00 15.00 H new ATOM 0 HG22 VAL A 61 3.112 -2.736 -4.135 1.00 15.00 H new ATOM 0 HG23 VAL A 61 2.928 -4.505 -4.074 1.00 15.00 H new ATOM 899 N ASN A 62 3.840 -3.130 -8.974 1.00 15.00 N ATOM 900 CA ASN A 62 4.470 -3.258 -10.279 1.00 15.00 C ATOM 901 C ASN A 62 4.057 -4.581 -10.925 1.00 15.00 C ATOM 902 O ASN A 62 4.678 -5.040 -11.883 1.00 15.00 O ATOM 903 CB ASN A 62 5.993 -3.175 -10.157 1.00 15.00 C ATOM 904 CG ASN A 62 6.503 -1.751 -10.268 1.00 15.00 C ATOM 905 OD1 ASN A 62 7.474 -1.480 -10.975 1.00 15.00 O ATOM 906 ND2 ASN A 62 5.848 -0.831 -9.568 1.00 15.00 N ATOM 0 H ASN A 62 3.169 -2.366 -8.900 1.00 15.00 H new ATOM 0 HA ASN A 62 4.137 -2.434 -10.911 1.00 15.00 H new ATOM 0 HB2 ASN A 62 6.302 -3.596 -9.200 1.00 15.00 H new ATOM 0 HB3 ASN A 62 6.451 -3.784 -10.936 1.00 15.00 H new ATOM 0 HD21 ASN A 62 6.145 0.144 -9.604 1.00 15.00 H new ATOM 0 HD22 ASN A 62 5.048 -1.100 -8.995 1.00 15.00 H new ATOM 913 N GLY A 63 2.994 -5.185 -10.386 1.00 15.00 N ATOM 914 CA GLY A 63 2.496 -6.443 -10.908 1.00 15.00 C ATOM 915 C GLY A 63 2.821 -7.631 -10.020 1.00 15.00 C ATOM 916 O GLY A 63 2.538 -8.773 -10.381 1.00 15.00 O ATOM 0 H GLY A 63 2.469 -4.818 -9.592 1.00 15.00 H new ATOM 0 HA2 GLY A 63 1.415 -6.375 -11.031 1.00 15.00 H new ATOM 0 HA3 GLY A 63 2.920 -6.611 -11.898 1.00 15.00 H new ATOM 920 N VAL A 64 3.408 -7.371 -8.855 1.00 15.00 N ATOM 921 CA VAL A 64 3.753 -8.442 -7.927 1.00 15.00 C ATOM 922 C VAL A 64 2.640 -8.657 -6.901 1.00 15.00 C ATOM 923 O VAL A 64 2.434 -7.834 -6.010 1.00 15.00 O ATOM 924 CB VAL A 64 5.090 -8.163 -7.203 1.00 15.00 C ATOM 925 CG1 VAL A 64 4.928 -7.111 -6.118 1.00 15.00 C ATOM 926 CG2 VAL A 64 5.661 -9.449 -6.624 1.00 15.00 C ATOM 0 H VAL A 64 3.653 -6.435 -8.533 1.00 15.00 H new ATOM 0 HA VAL A 64 3.870 -9.351 -8.518 1.00 15.00 H new ATOM 0 HB VAL A 64 5.791 -7.771 -7.939 1.00 15.00 H new ATOM 0 HG11 VAL A 64 5.888 -6.940 -5.630 1.00 15.00 H new ATOM 0 HG12 VAL A 64 4.577 -6.180 -6.563 1.00 15.00 H new ATOM 0 HG13 VAL A 64 4.203 -7.457 -5.381 1.00 15.00 H new ATOM 0 HG21 VAL A 64 6.602 -9.234 -6.118 1.00 15.00 H new ATOM 0 HG22 VAL A 64 4.954 -9.872 -5.911 1.00 15.00 H new ATOM 0 HG23 VAL A 64 5.837 -10.164 -7.428 1.00 15.00 H new ATOM 936 N SER A 65 1.922 -9.766 -7.034 1.00 15.00 N ATOM 937 CA SER A 65 0.832 -10.079 -6.117 1.00 15.00 C ATOM 938 C SER A 65 1.335 -10.142 -4.682 1.00 15.00 C ATOM 939 O SER A 65 2.272 -10.876 -4.366 1.00 15.00 O ATOM 940 CB SER A 65 0.171 -11.404 -6.502 1.00 15.00 C ATOM 941 OG SER A 65 -0.651 -11.251 -7.646 1.00 15.00 O ATOM 0 H SER A 65 2.074 -10.461 -7.765 1.00 15.00 H new ATOM 0 HA SER A 65 0.090 -9.283 -6.189 1.00 15.00 H new ATOM 0 HB2 SER A 65 0.938 -12.153 -6.699 1.00 15.00 H new ATOM 0 HB3 SER A 65 -0.426 -11.772 -5.668 1.00 15.00 H new ATOM 0 HG SER A 65 -1.060 -12.112 -7.872 1.00 15.00 H new ATOM 947 N LEU A 66 0.706 -9.355 -3.824 1.00 15.00 N ATOM 948 CA LEU A 66 1.073 -9.291 -2.420 1.00 15.00 C ATOM 949 C LEU A 66 0.337 -10.351 -1.605 1.00 15.00 C ATOM 950 O LEU A 66 0.772 -10.718 -0.514 1.00 15.00 O ATOM 951 CB LEU A 66 0.763 -7.899 -1.880 1.00 15.00 C ATOM 952 CG LEU A 66 1.905 -6.890 -2.020 1.00 15.00 C ATOM 953 CD1 LEU A 66 1.462 -5.688 -2.839 1.00 15.00 C ATOM 954 CD2 LEU A 66 2.400 -6.454 -0.651 1.00 15.00 C ATOM 0 H LEU A 66 -0.070 -8.745 -4.081 1.00 15.00 H new ATOM 0 HA LEU A 66 2.141 -9.489 -2.331 1.00 15.00 H new ATOM 0 HB2 LEU A 66 -0.113 -7.510 -2.399 1.00 15.00 H new ATOM 0 HB3 LEU A 66 0.498 -7.984 -0.826 1.00 15.00 H new ATOM 0 HG LEU A 66 2.729 -7.374 -2.545 1.00 15.00 H new ATOM 0 HD11 LEU A 66 2.289 -4.983 -2.927 1.00 15.00 H new ATOM 0 HD12 LEU A 66 1.159 -6.017 -3.833 1.00 15.00 H new ATOM 0 HD13 LEU A 66 0.621 -5.201 -2.345 1.00 15.00 H new ATOM 0 HD21 LEU A 66 3.212 -5.737 -0.769 1.00 15.00 H new ATOM 0 HD22 LEU A 66 1.583 -5.989 -0.100 1.00 15.00 H new ATOM 0 HD23 LEU A 66 2.761 -7.323 -0.101 1.00 15.00 H new ATOM 966 N GLU A 67 -0.780 -10.841 -2.140 1.00 15.00 N ATOM 967 CA GLU A 67 -1.573 -11.861 -1.459 1.00 15.00 C ATOM 968 C GLU A 67 -0.683 -12.984 -0.932 1.00 15.00 C ATOM 969 O GLU A 67 -0.225 -13.836 -1.693 1.00 15.00 O ATOM 970 CB GLU A 67 -2.627 -12.435 -2.408 1.00 15.00 C ATOM 971 CG GLU A 67 -3.843 -11.539 -2.582 1.00 15.00 C ATOM 972 CD GLU A 67 -5.135 -12.324 -2.691 1.00 15.00 C ATOM 973 OE1 GLU A 67 -5.694 -12.697 -1.638 1.00 15.00 O ATOM 974 OE2 GLU A 67 -5.588 -12.567 -3.829 1.00 15.00 O ATOM 0 H GLU A 67 -1.155 -10.548 -3.042 1.00 15.00 H new ATOM 0 HA GLU A 67 -2.072 -11.390 -0.612 1.00 15.00 H new ATOM 0 HB2 GLU A 67 -2.171 -12.607 -3.383 1.00 15.00 H new ATOM 0 HB3 GLU A 67 -2.952 -13.405 -2.032 1.00 15.00 H new ATOM 0 HG2 GLU A 67 -3.909 -10.854 -1.737 1.00 15.00 H new ATOM 0 HG3 GLU A 67 -3.716 -10.930 -3.477 1.00 15.00 H new ATOM 981 N GLY A 68 -0.441 -12.975 0.375 1.00 15.00 N ATOM 982 CA GLY A 68 0.394 -13.994 0.982 1.00 15.00 C ATOM 983 C GLY A 68 1.739 -13.454 1.428 1.00 15.00 C ATOM 984 O GLY A 68 2.782 -13.872 0.925 1.00 15.00 O ATOM 0 H GLY A 68 -0.809 -12.280 1.024 1.00 15.00 H new ATOM 0 HA2 GLY A 68 -0.125 -14.421 1.840 1.00 15.00 H new ATOM 0 HA3 GLY A 68 0.550 -14.804 0.269 1.00 15.00 H new ATOM 988 N ALA A 69 1.715 -12.522 2.376 1.00 15.00 N ATOM 989 CA ALA A 69 2.940 -11.924 2.893 1.00 15.00 C ATOM 990 C ALA A 69 2.646 -11.017 4.084 1.00 15.00 C ATOM 991 O ALA A 69 1.499 -10.642 4.323 1.00 15.00 O ATOM 992 CB ALA A 69 3.651 -11.145 1.797 1.00 15.00 C ATOM 0 H ALA A 69 0.860 -12.165 2.802 1.00 15.00 H new ATOM 0 HA ALA A 69 3.593 -12.728 3.233 1.00 15.00 H new ATOM 0 HB1 ALA A 69 4.564 -10.704 2.198 1.00 15.00 H new ATOM 0 HB2 ALA A 69 3.902 -11.818 0.977 1.00 15.00 H new ATOM 0 HB3 ALA A 69 2.997 -10.354 1.430 1.00 15.00 H new ATOM 998 N THR A 70 3.687 -10.670 4.830 1.00 15.00 N ATOM 999 CA THR A 70 3.537 -9.810 5.998 1.00 15.00 C ATOM 1000 C THR A 70 3.764 -8.345 5.635 1.00 15.00 C ATOM 1001 O THR A 70 3.908 -7.996 4.464 1.00 15.00 O ATOM 1002 CB THR A 70 4.514 -10.229 7.098 1.00 15.00 C ATOM 1003 OG1 THR A 70 5.810 -9.720 6.839 1.00 15.00 O ATOM 1004 CG2 THR A 70 4.634 -11.730 7.255 1.00 15.00 C ATOM 0 H THR A 70 4.644 -10.971 4.648 1.00 15.00 H new ATOM 0 HA THR A 70 2.516 -9.920 6.365 1.00 15.00 H new ATOM 0 HB THR A 70 4.104 -9.816 8.019 1.00 15.00 H new ATOM 0 HG1 THR A 70 6.419 -9.997 7.555 1.00 15.00 H new ATOM 0 HG21 THR A 70 5.343 -11.957 8.052 1.00 15.00 H new ATOM 0 HG22 THR A 70 3.659 -12.149 7.506 1.00 15.00 H new ATOM 0 HG23 THR A 70 4.987 -12.167 6.321 1.00 15.00 H new ATOM 1012 N HIS A 71 3.795 -7.496 6.656 1.00 15.00 N ATOM 1013 CA HIS A 71 4.003 -6.066 6.472 1.00 15.00 C ATOM 1014 C HIS A 71 5.368 -5.809 5.853 1.00 15.00 C ATOM 1015 O HIS A 71 5.473 -5.269 4.752 1.00 15.00 O ATOM 1016 CB HIS A 71 3.849 -5.356 7.829 1.00 15.00 C ATOM 1017 CG HIS A 71 4.698 -4.135 8.045 1.00 15.00 C ATOM 1018 ND1 HIS A 71 4.955 -3.630 9.303 1.00 15.00 N ATOM 1019 CD2 HIS A 71 5.312 -3.295 7.176 1.00 15.00 C ATOM 1020 CE1 HIS A 71 5.680 -2.533 9.198 1.00 15.00 C ATOM 1021 NE2 HIS A 71 5.914 -2.309 7.919 1.00 15.00 N ATOM 0 H HIS A 71 3.677 -7.778 7.629 1.00 15.00 H new ATOM 0 HA HIS A 71 3.256 -5.665 5.787 1.00 15.00 H new ATOM 0 HB2 HIS A 71 2.804 -5.071 7.949 1.00 15.00 H new ATOM 0 HB3 HIS A 71 4.076 -6.074 8.618 1.00 15.00 H new ATOM 0 HD2 HIS A 71 5.325 -3.384 6.100 1.00 15.00 H new ATOM 0 HE1 HIS A 71 6.024 -1.922 10.020 1.00 15.00 H new ATOM 0 HE2 HIS A 71 6.454 -1.530 7.543 1.00 15.00 H new ATOM 1030 N LYS A 72 6.407 -6.212 6.564 1.00 15.00 N ATOM 1031 CA LYS A 72 7.772 -6.041 6.084 1.00 15.00 C ATOM 1032 C LYS A 72 7.919 -6.627 4.686 1.00 15.00 C ATOM 1033 O LYS A 72 8.640 -6.087 3.847 1.00 15.00 O ATOM 1034 CB LYS A 72 8.750 -6.711 7.047 1.00 15.00 C ATOM 1035 CG LYS A 72 10.202 -6.328 6.811 1.00 15.00 C ATOM 1036 CD LYS A 72 11.138 -7.095 7.731 1.00 15.00 C ATOM 1037 CE LYS A 72 11.446 -8.480 7.183 1.00 15.00 C ATOM 1038 NZ LYS A 72 12.353 -8.424 6.004 1.00 15.00 N ATOM 0 H LYS A 72 6.334 -6.661 7.477 1.00 15.00 H new ATOM 0 HA LYS A 72 7.998 -4.976 6.036 1.00 15.00 H new ATOM 0 HB2 LYS A 72 8.476 -6.449 8.069 1.00 15.00 H new ATOM 0 HB3 LYS A 72 8.650 -7.793 6.958 1.00 15.00 H new ATOM 0 HG2 LYS A 72 10.467 -6.527 5.773 1.00 15.00 H new ATOM 0 HG3 LYS A 72 10.328 -5.257 6.973 1.00 15.00 H new ATOM 0 HD2 LYS A 72 12.066 -6.537 7.855 1.00 15.00 H new ATOM 0 HD3 LYS A 72 10.686 -7.185 8.719 1.00 15.00 H new ATOM 0 HE2 LYS A 72 11.905 -9.085 7.965 1.00 15.00 H new ATOM 0 HE3 LYS A 72 10.516 -8.974 6.902 1.00 15.00 H new ATOM 0 HZ1 LYS A 72 12.753 -9.368 5.828 1.00 15.00 H new ATOM 0 HZ2 LYS A 72 11.817 -8.114 5.168 1.00 15.00 H new ATOM 0 HZ3 LYS A 72 13.124 -7.751 6.191 1.00 15.00 H new ATOM 1052 N GLN A 73 7.215 -7.728 4.435 1.00 15.00 N ATOM 1053 CA GLN A 73 7.257 -8.372 3.129 1.00 15.00 C ATOM 1054 C GLN A 73 6.779 -7.395 2.068 1.00 15.00 C ATOM 1055 O GLN A 73 7.433 -7.202 1.043 1.00 15.00 O ATOM 1056 CB GLN A 73 6.387 -9.629 3.121 1.00 15.00 C ATOM 1057 CG GLN A 73 6.944 -10.752 3.977 1.00 15.00 C ATOM 1058 CD GLN A 73 6.663 -12.124 3.396 1.00 15.00 C ATOM 1059 OE1 GLN A 73 5.944 -12.927 3.989 1.00 15.00 O ATOM 1060 NE2 GLN A 73 7.232 -12.399 2.228 1.00 15.00 N ATOM 0 H GLN A 73 6.612 -8.189 5.116 1.00 15.00 H new ATOM 0 HA GLN A 73 8.283 -8.668 2.912 1.00 15.00 H new ATOM 0 HB2 GLN A 73 5.388 -9.373 3.475 1.00 15.00 H new ATOM 0 HB3 GLN A 73 6.281 -9.982 2.095 1.00 15.00 H new ATOM 0 HG2 GLN A 73 8.021 -10.621 4.085 1.00 15.00 H new ATOM 0 HG3 GLN A 73 6.513 -10.690 4.976 1.00 15.00 H new ATOM 0 HE21 GLN A 73 7.821 -11.703 1.771 1.00 15.00 H new ATOM 0 HE22 GLN A 73 7.080 -13.306 1.788 1.00 15.00 H new ATOM 1069 N ALA A 74 5.646 -6.756 2.339 1.00 15.00 N ATOM 1070 CA ALA A 74 5.100 -5.769 1.422 1.00 15.00 C ATOM 1071 C ALA A 74 6.023 -4.567 1.366 1.00 15.00 C ATOM 1072 O ALA A 74 6.391 -4.104 0.288 1.00 15.00 O ATOM 1073 CB ALA A 74 3.714 -5.342 1.849 1.00 15.00 C ATOM 0 H ALA A 74 5.092 -6.905 3.183 1.00 15.00 H new ATOM 0 HA ALA A 74 5.024 -6.217 0.431 1.00 15.00 H new ATOM 0 HB1 ALA A 74 3.328 -4.603 1.146 1.00 15.00 H new ATOM 0 HB2 ALA A 74 3.054 -6.209 1.862 1.00 15.00 H new ATOM 0 HB3 ALA A 74 3.759 -4.905 2.847 1.00 15.00 H new ATOM 1079 N VAL A 75 6.420 -4.088 2.546 1.00 15.00 N ATOM 1080 CA VAL A 75 7.339 -2.960 2.653 1.00 15.00 C ATOM 1081 C VAL A 75 8.434 -3.120 1.614 1.00 15.00 C ATOM 1082 O VAL A 75 8.842 -2.164 0.958 1.00 15.00 O ATOM 1083 CB VAL A 75 7.948 -2.895 4.076 1.00 15.00 C ATOM 1084 CG1 VAL A 75 9.451 -3.149 4.069 1.00 15.00 C ATOM 1085 CG2 VAL A 75 7.636 -1.572 4.746 1.00 15.00 C ATOM 0 H VAL A 75 6.116 -4.467 3.443 1.00 15.00 H new ATOM 0 HA VAL A 75 6.800 -2.030 2.474 1.00 15.00 H new ATOM 0 HB VAL A 75 7.483 -3.693 4.654 1.00 15.00 H new ATOM 0 HG11 VAL A 75 9.834 -3.094 5.088 1.00 15.00 H new ATOM 0 HG12 VAL A 75 9.651 -4.139 3.660 1.00 15.00 H new ATOM 0 HG13 VAL A 75 9.944 -2.396 3.454 1.00 15.00 H new ATOM 0 HG21 VAL A 75 8.076 -1.556 5.743 1.00 15.00 H new ATOM 0 HG22 VAL A 75 8.051 -0.757 4.153 1.00 15.00 H new ATOM 0 HG23 VAL A 75 6.556 -1.450 4.825 1.00 15.00 H new ATOM 1095 N GLU A 76 8.877 -4.359 1.462 1.00 15.00 N ATOM 1096 CA GLU A 76 9.899 -4.689 0.489 1.00 15.00 C ATOM 1097 C GLU A 76 9.367 -4.502 -0.930 1.00 15.00 C ATOM 1098 O GLU A 76 10.030 -3.897 -1.767 1.00 15.00 O ATOM 1099 CB GLU A 76 10.376 -6.130 0.683 1.00 15.00 C ATOM 1100 CG GLU A 76 10.865 -6.425 2.092 1.00 15.00 C ATOM 1101 CD GLU A 76 12.374 -6.538 2.173 1.00 15.00 C ATOM 1102 OE1 GLU A 76 12.902 -7.638 1.905 1.00 15.00 O ATOM 1103 OE2 GLU A 76 13.029 -5.528 2.505 1.00 15.00 O ATOM 0 H GLU A 76 8.540 -5.154 2.005 1.00 15.00 H new ATOM 0 HA GLU A 76 10.743 -4.016 0.638 1.00 15.00 H new ATOM 0 HB2 GLU A 76 9.559 -6.810 0.441 1.00 15.00 H new ATOM 0 HB3 GLU A 76 11.181 -6.335 -0.022 1.00 15.00 H new ATOM 0 HG2 GLU A 76 10.527 -5.635 2.763 1.00 15.00 H new ATOM 0 HG3 GLU A 76 10.415 -7.354 2.442 1.00 15.00 H new ATOM 1110 N THR A 77 8.165 -5.021 -1.199 1.00 15.00 N ATOM 1111 CA THR A 77 7.573 -4.894 -2.529 1.00 15.00 C ATOM 1112 C THR A 77 7.295 -3.437 -2.879 1.00 15.00 C ATOM 1113 O THR A 77 7.724 -2.952 -3.926 1.00 15.00 O ATOM 1114 CB THR A 77 6.285 -5.707 -2.639 1.00 15.00 C ATOM 1115 OG1 THR A 77 5.452 -5.489 -1.517 1.00 15.00 O ATOM 1116 CG2 THR A 77 6.526 -7.197 -2.758 1.00 15.00 C ATOM 0 H THR A 77 7.592 -5.526 -0.523 1.00 15.00 H new ATOM 0 HA THR A 77 8.299 -5.288 -3.240 1.00 15.00 H new ATOM 0 HB THR A 77 5.804 -5.361 -3.554 1.00 15.00 H new ATOM 0 HG1 THR A 77 5.756 -4.692 -1.034 1.00 15.00 H new ATOM 0 HG21 THR A 77 5.570 -7.715 -2.832 1.00 15.00 H new ATOM 0 HG22 THR A 77 7.119 -7.400 -3.650 1.00 15.00 H new ATOM 0 HG23 THR A 77 7.063 -7.550 -1.877 1.00 15.00 H new ATOM 1124 N LEU A 78 6.577 -2.739 -2.001 1.00 15.00 N ATOM 1125 CA LEU A 78 6.250 -1.335 -2.236 1.00 15.00 C ATOM 1126 C LEU A 78 7.518 -0.545 -2.521 1.00 15.00 C ATOM 1127 O LEU A 78 7.587 0.225 -3.478 1.00 15.00 O ATOM 1128 CB LEU A 78 5.525 -0.729 -1.028 1.00 15.00 C ATOM 1129 CG LEU A 78 4.556 -1.663 -0.296 1.00 15.00 C ATOM 1130 CD1 LEU A 78 3.701 -0.879 0.686 1.00 15.00 C ATOM 1131 CD2 LEU A 78 3.678 -2.413 -1.287 1.00 15.00 C ATOM 0 H LEU A 78 6.213 -3.119 -1.127 1.00 15.00 H new ATOM 0 HA LEU A 78 5.587 -1.282 -3.099 1.00 15.00 H new ATOM 0 HB2 LEU A 78 6.273 -0.381 -0.316 1.00 15.00 H new ATOM 0 HB3 LEU A 78 4.972 0.148 -1.363 1.00 15.00 H new ATOM 0 HG LEU A 78 5.142 -2.394 0.262 1.00 15.00 H new ATOM 0 HD11 LEU A 78 3.019 -1.558 1.197 1.00 15.00 H new ATOM 0 HD12 LEU A 78 4.344 -0.391 1.419 1.00 15.00 H new ATOM 0 HD13 LEU A 78 3.127 -0.125 0.147 1.00 15.00 H new ATOM 0 HD21 LEU A 78 2.998 -3.070 -0.745 1.00 15.00 H new ATOM 0 HD22 LEU A 78 3.101 -1.699 -1.875 1.00 15.00 H new ATOM 0 HD23 LEU A 78 4.305 -3.008 -1.951 1.00 15.00 H new ATOM 1143 N ARG A 79 8.524 -0.757 -1.685 1.00 15.00 N ATOM 1144 CA ARG A 79 9.803 -0.085 -1.839 1.00 15.00 C ATOM 1145 C ARG A 79 10.528 -0.585 -3.089 1.00 15.00 C ATOM 1146 O ARG A 79 10.864 0.198 -3.977 1.00 15.00 O ATOM 1147 CB ARG A 79 10.662 -0.314 -0.594 1.00 15.00 C ATOM 1148 CG ARG A 79 11.533 0.877 -0.226 1.00 15.00 C ATOM 1149 CD ARG A 79 12.717 1.016 -1.169 1.00 15.00 C ATOM 1150 NE ARG A 79 13.218 2.387 -1.221 1.00 15.00 N ATOM 1151 CZ ARG A 79 13.979 2.861 -2.204 1.00 15.00 C ATOM 1152 NH1 ARG A 79 14.330 2.079 -3.217 1.00 15.00 N ATOM 1153 NH2 ARG A 79 14.391 4.121 -2.174 1.00 15.00 N ATOM 0 H ARG A 79 8.477 -1.393 -0.889 1.00 15.00 H new ATOM 0 HA ARG A 79 9.626 0.984 -1.956 1.00 15.00 H new ATOM 0 HB2 ARG A 79 10.011 -0.551 0.248 1.00 15.00 H new ATOM 0 HB3 ARG A 79 11.300 -1.183 -0.758 1.00 15.00 H new ATOM 0 HG2 ARG A 79 10.935 1.788 -0.254 1.00 15.00 H new ATOM 0 HG3 ARG A 79 11.893 0.763 0.797 1.00 15.00 H new ATOM 0 HD2 ARG A 79 13.517 0.350 -0.847 1.00 15.00 H new ATOM 0 HD3 ARG A 79 12.422 0.700 -2.170 1.00 15.00 H new ATOM 0 HE ARG A 79 12.970 3.018 -0.459 1.00 15.00 H new ATOM 0 HH11 ARG A 79 14.016 1.109 -3.245 1.00 15.00 H new ATOM 0 HH12 ARG A 79 14.914 2.448 -3.968 1.00 15.00 H new ATOM 0 HH21 ARG A 79 14.124 4.726 -1.398 1.00 15.00 H new ATOM 0 HH22 ARG A 79 14.974 4.485 -2.927 1.00 15.00 H new ATOM 1167 N ASN A 80 10.769 -1.893 -3.144 1.00 15.00 N ATOM 1168 CA ASN A 80 11.457 -2.510 -4.278 1.00 15.00 C ATOM 1169 C ASN A 80 10.635 -2.418 -5.565 1.00 15.00 C ATOM 1170 O ASN A 80 10.253 -3.440 -6.136 1.00 15.00 O ATOM 1171 CB ASN A 80 11.772 -3.978 -3.979 1.00 15.00 C ATOM 1172 CG ASN A 80 12.900 -4.138 -2.978 1.00 15.00 C ATOM 1173 OD1 ASN A 80 14.040 -4.417 -3.350 1.00 15.00 O ATOM 1174 ND2 ASN A 80 12.589 -3.963 -1.699 1.00 15.00 N ATOM 0 H ASN A 80 10.497 -2.550 -2.413 1.00 15.00 H new ATOM 0 HA ASN A 80 12.385 -1.958 -4.428 1.00 15.00 H new ATOM 0 HB2 ASN A 80 10.877 -4.467 -3.594 1.00 15.00 H new ATOM 0 HB3 ASN A 80 12.039 -4.485 -4.906 1.00 15.00 H new ATOM 0 HD21 ASN A 80 13.308 -4.059 -0.982 1.00 15.00 H new ATOM 0 HD22 ASN A 80 11.631 -3.733 -1.434 1.00 15.00 H new ATOM 1181 N THR A 81 10.379 -1.201 -6.032 1.00 15.00 N ATOM 1182 CA THR A 81 9.619 -1.012 -7.264 1.00 15.00 C ATOM 1183 C THR A 81 10.569 -0.879 -8.451 1.00 15.00 C ATOM 1184 O THR A 81 10.685 -1.792 -9.270 1.00 15.00 O ATOM 1185 CB THR A 81 8.716 0.219 -7.163 1.00 15.00 C ATOM 1186 OG1 THR A 81 9.006 0.962 -5.992 1.00 15.00 O ATOM 1187 CG2 THR A 81 7.241 -0.122 -7.136 1.00 15.00 C ATOM 0 H THR A 81 10.683 -0.338 -5.582 1.00 15.00 H new ATOM 0 HA THR A 81 8.985 -1.886 -7.416 1.00 15.00 H new ATOM 0 HB THR A 81 8.923 0.802 -8.061 1.00 15.00 H new ATOM 0 HG1 THR A 81 8.473 0.617 -5.246 1.00 15.00 H new ATOM 0 HG21 THR A 81 6.657 0.795 -7.064 1.00 15.00 H new ATOM 0 HG22 THR A 81 6.973 -0.652 -8.050 1.00 15.00 H new ATOM 0 HG23 THR A 81 7.030 -0.756 -6.275 1.00 15.00 H new ATOM 1195 N GLY A 82 11.258 0.256 -8.531 1.00 15.00 N ATOM 1196 CA GLY A 82 12.199 0.477 -9.609 1.00 15.00 C ATOM 1197 C GLY A 82 11.885 1.711 -10.429 1.00 15.00 C ATOM 1198 O GLY A 82 12.127 2.837 -9.995 1.00 15.00 O ATOM 0 H GLY A 82 11.179 1.026 -7.866 1.00 15.00 H new ATOM 0 HA2 GLY A 82 13.203 0.570 -9.194 1.00 15.00 H new ATOM 0 HA3 GLY A 82 12.204 -0.395 -10.263 1.00 15.00 H new ATOM 1202 N GLN A 83 11.359 1.491 -11.624 1.00 15.00 N ATOM 1203 CA GLN A 83 11.021 2.584 -12.534 1.00 15.00 C ATOM 1204 C GLN A 83 9.907 3.469 -11.973 1.00 15.00 C ATOM 1205 O GLN A 83 10.173 4.523 -11.396 1.00 15.00 O ATOM 1206 CB GLN A 83 10.620 2.044 -13.915 1.00 15.00 C ATOM 1207 CG GLN A 83 9.924 0.690 -13.882 1.00 15.00 C ATOM 1208 CD GLN A 83 8.798 0.591 -14.892 1.00 15.00 C ATOM 1209 OE1 GLN A 83 7.790 1.290 -14.786 1.00 15.00 O ATOM 1210 NE2 GLN A 83 8.963 -0.282 -15.879 1.00 15.00 N ATOM 0 H GLN A 83 11.155 0.562 -11.991 1.00 15.00 H new ATOM 0 HA GLN A 83 11.915 3.198 -12.640 1.00 15.00 H new ATOM 0 HB2 GLN A 83 9.961 2.766 -14.397 1.00 15.00 H new ATOM 0 HB3 GLN A 83 11.513 1.965 -14.534 1.00 15.00 H new ATOM 0 HG2 GLN A 83 10.654 -0.095 -14.079 1.00 15.00 H new ATOM 0 HG3 GLN A 83 9.527 0.513 -12.882 1.00 15.00 H new ATOM 0 HE21 GLN A 83 9.815 -0.841 -15.928 1.00 15.00 H new ATOM 0 HE22 GLN A 83 8.238 -0.393 -16.588 1.00 15.00 H new ATOM 1219 N VAL A 84 8.662 3.041 -12.158 1.00 15.00 N ATOM 1220 CA VAL A 84 7.509 3.794 -11.683 1.00 15.00 C ATOM 1221 C VAL A 84 6.838 3.080 -10.511 1.00 15.00 C ATOM 1222 O VAL A 84 7.019 1.878 -10.315 1.00 15.00 O ATOM 1223 CB VAL A 84 6.486 4.007 -12.823 1.00 15.00 C ATOM 1224 CG1 VAL A 84 5.191 4.617 -12.304 1.00 15.00 C ATOM 1225 CG2 VAL A 84 7.087 4.884 -13.909 1.00 15.00 C ATOM 0 H VAL A 84 8.426 2.172 -12.636 1.00 15.00 H new ATOM 0 HA VAL A 84 7.864 4.767 -11.343 1.00 15.00 H new ATOM 0 HB VAL A 84 6.246 3.031 -13.245 1.00 15.00 H new ATOM 0 HG11 VAL A 84 4.495 4.753 -13.132 1.00 15.00 H new ATOM 0 HG12 VAL A 84 4.747 3.953 -11.563 1.00 15.00 H new ATOM 0 HG13 VAL A 84 5.402 5.583 -11.845 1.00 15.00 H new ATOM 0 HG21 VAL A 84 6.358 5.027 -14.706 1.00 15.00 H new ATOM 0 HG22 VAL A 84 7.358 5.852 -13.487 1.00 15.00 H new ATOM 0 HG23 VAL A 84 7.977 4.403 -14.314 1.00 15.00 H new ATOM 1235 N VAL A 85 6.062 3.826 -9.736 1.00 15.00 N ATOM 1236 CA VAL A 85 5.369 3.265 -8.588 1.00 15.00 C ATOM 1237 C VAL A 85 3.924 2.926 -8.946 1.00 15.00 C ATOM 1238 O VAL A 85 3.002 3.685 -8.650 1.00 15.00 O ATOM 1239 CB VAL A 85 5.408 4.248 -7.394 1.00 15.00 C ATOM 1240 CG1 VAL A 85 4.346 3.919 -6.355 1.00 15.00 C ATOM 1241 CG2 VAL A 85 6.793 4.258 -6.763 1.00 15.00 C ATOM 0 H VAL A 85 5.898 4.822 -9.883 1.00 15.00 H new ATOM 0 HA VAL A 85 5.880 2.347 -8.298 1.00 15.00 H new ATOM 0 HB VAL A 85 5.188 5.244 -7.778 1.00 15.00 H new ATOM 0 HG11 VAL A 85 4.407 4.633 -5.533 1.00 15.00 H new ATOM 0 HG12 VAL A 85 3.359 3.977 -6.813 1.00 15.00 H new ATOM 0 HG13 VAL A 85 4.510 2.911 -5.973 1.00 15.00 H new ATOM 0 HG21 VAL A 85 6.806 4.954 -5.924 1.00 15.00 H new ATOM 0 HG22 VAL A 85 7.038 3.257 -6.408 1.00 15.00 H new ATOM 0 HG23 VAL A 85 7.528 4.570 -7.505 1.00 15.00 H new ATOM 1251 N HIS A 86 3.742 1.775 -9.587 1.00 15.00 N ATOM 1252 CA HIS A 86 2.415 1.320 -9.989 1.00 15.00 C ATOM 1253 C HIS A 86 1.914 0.235 -9.041 1.00 15.00 C ATOM 1254 O HIS A 86 2.080 -0.957 -9.299 1.00 15.00 O ATOM 1255 CB HIS A 86 2.444 0.790 -11.424 1.00 15.00 C ATOM 1256 CG HIS A 86 1.233 1.160 -12.223 1.00 15.00 C ATOM 1257 ND1 HIS A 86 -0.009 1.362 -11.658 1.00 15.00 N ATOM 1258 CD2 HIS A 86 1.078 1.368 -13.552 1.00 15.00 C ATOM 1259 CE1 HIS A 86 -0.875 1.676 -12.605 1.00 15.00 C ATOM 1260 NE2 HIS A 86 -0.241 1.688 -13.763 1.00 15.00 N ATOM 0 H HIS A 86 4.499 1.139 -9.840 1.00 15.00 H new ATOM 0 HA HIS A 86 1.733 2.169 -9.942 1.00 15.00 H new ATOM 0 HB2 HIS A 86 3.332 1.174 -11.926 1.00 15.00 H new ATOM 0 HB3 HIS A 86 2.536 -0.296 -11.400 1.00 15.00 H new ATOM 0 HD2 HIS A 86 1.848 1.296 -14.306 1.00 15.00 H new ATOM 0 HE1 HIS A 86 -1.924 1.887 -12.457 1.00 15.00 H new ATOM 0 HE2 HIS A 86 -0.662 1.900 -14.667 1.00 15.00 H new ATOM 1269 N LEU A 87 1.315 0.661 -7.935 1.00 15.00 N ATOM 1270 CA LEU A 87 0.803 -0.264 -6.933 1.00 15.00 C ATOM 1271 C LEU A 87 -0.712 -0.416 -7.026 1.00 15.00 C ATOM 1272 O LEU A 87 -1.451 0.550 -6.860 1.00 15.00 O ATOM 1273 CB LEU A 87 1.186 0.229 -5.537 1.00 15.00 C ATOM 1274 CG LEU A 87 2.092 -0.709 -4.749 1.00 15.00 C ATOM 1275 CD1 LEU A 87 3.224 0.065 -4.091 1.00 15.00 C ATOM 1276 CD2 LEU A 87 1.286 -1.469 -3.709 1.00 15.00 C ATOM 0 H LEU A 87 1.172 1.645 -7.710 1.00 15.00 H new ATOM 0 HA LEU A 87 1.249 -1.241 -7.120 1.00 15.00 H new ATOM 0 HB2 LEU A 87 1.683 1.194 -5.633 1.00 15.00 H new ATOM 0 HB3 LEU A 87 0.274 0.395 -4.964 1.00 15.00 H new ATOM 0 HG LEU A 87 2.531 -1.428 -5.440 1.00 15.00 H new ATOM 0 HD11 LEU A 87 3.859 -0.623 -3.533 1.00 15.00 H new ATOM 0 HD12 LEU A 87 3.816 0.565 -4.857 1.00 15.00 H new ATOM 0 HD13 LEU A 87 2.809 0.808 -3.410 1.00 15.00 H new ATOM 0 HD21 LEU A 87 1.946 -2.135 -3.153 1.00 15.00 H new ATOM 0 HD22 LEU A 87 0.821 -0.762 -3.021 1.00 15.00 H new ATOM 0 HD23 LEU A 87 0.512 -2.055 -4.205 1.00 15.00 H new ATOM 1288 N LEU A 88 -1.169 -1.640 -7.270 1.00 15.00 N ATOM 1289 CA LEU A 88 -2.598 -1.920 -7.359 1.00 15.00 C ATOM 1290 C LEU A 88 -3.115 -2.394 -6.008 1.00 15.00 C ATOM 1291 O LEU A 88 -2.919 -3.548 -5.625 1.00 15.00 O ATOM 1292 CB LEU A 88 -2.869 -2.972 -8.437 1.00 15.00 C ATOM 1293 CG LEU A 88 -2.974 -2.427 -9.865 1.00 15.00 C ATOM 1294 CD1 LEU A 88 -1.912 -1.365 -10.117 1.00 15.00 C ATOM 1295 CD2 LEU A 88 -2.848 -3.558 -10.875 1.00 15.00 C ATOM 0 H LEU A 88 -0.571 -2.454 -7.410 1.00 15.00 H new ATOM 0 HA LEU A 88 -3.123 -1.005 -7.636 1.00 15.00 H new ATOM 0 HB2 LEU A 88 -2.072 -3.715 -8.406 1.00 15.00 H new ATOM 0 HB3 LEU A 88 -3.797 -3.489 -8.193 1.00 15.00 H new ATOM 0 HG LEU A 88 -3.953 -1.963 -9.984 1.00 15.00 H new ATOM 0 HD11 LEU A 88 -2.005 -0.992 -11.137 1.00 15.00 H new ATOM 0 HD12 LEU A 88 -2.047 -0.542 -9.416 1.00 15.00 H new ATOM 0 HD13 LEU A 88 -0.922 -1.800 -9.979 1.00 15.00 H new ATOM 0 HD21 LEU A 88 -2.925 -3.154 -11.885 1.00 15.00 H new ATOM 0 HD22 LEU A 88 -1.883 -4.049 -10.753 1.00 15.00 H new ATOM 0 HD23 LEU A 88 -3.646 -4.282 -10.712 1.00 15.00 H new ATOM 1307 N LEU A 89 -3.751 -1.487 -5.278 1.00 15.00 N ATOM 1308 CA LEU A 89 -4.269 -1.798 -3.952 1.00 15.00 C ATOM 1309 C LEU A 89 -5.785 -1.945 -3.947 1.00 15.00 C ATOM 1310 O LEU A 89 -6.421 -2.088 -4.991 1.00 15.00 O ATOM 1311 CB LEU A 89 -3.872 -0.706 -2.956 1.00 15.00 C ATOM 1312 CG LEU A 89 -2.793 0.250 -3.440 1.00 15.00 C ATOM 1313 CD1 LEU A 89 -2.713 1.459 -2.533 1.00 15.00 C ATOM 1314 CD2 LEU A 89 -1.461 -0.461 -3.500 1.00 15.00 C ATOM 0 H LEU A 89 -3.921 -0.528 -5.582 1.00 15.00 H new ATOM 0 HA LEU A 89 -3.832 -2.752 -3.658 1.00 15.00 H new ATOM 0 HB2 LEU A 89 -4.760 -0.128 -2.702 1.00 15.00 H new ATOM 0 HB3 LEU A 89 -3.528 -1.182 -2.038 1.00 15.00 H new ATOM 0 HG LEU A 89 -3.050 0.593 -4.442 1.00 15.00 H new ATOM 0 HD11 LEU A 89 -1.936 2.133 -2.893 1.00 15.00 H new ATOM 0 HD12 LEU A 89 -3.672 1.978 -2.532 1.00 15.00 H new ATOM 0 HD13 LEU A 89 -2.473 1.138 -1.519 1.00 15.00 H new ATOM 0 HD21 LEU A 89 -0.694 0.231 -3.848 1.00 15.00 H new ATOM 0 HD22 LEU A 89 -1.198 -0.825 -2.507 1.00 15.00 H new ATOM 0 HD23 LEU A 89 -1.529 -1.303 -4.189 1.00 15.00 H new ATOM 1326 N GLU A 90 -6.347 -1.886 -2.745 1.00 15.00 N ATOM 1327 CA GLU A 90 -7.785 -1.986 -2.547 1.00 15.00 C ATOM 1328 C GLU A 90 -8.216 -1.021 -1.447 1.00 15.00 C ATOM 1329 O GLU A 90 -7.521 -0.863 -0.443 1.00 15.00 O ATOM 1330 CB GLU A 90 -8.177 -3.428 -2.196 1.00 15.00 C ATOM 1331 CG GLU A 90 -9.348 -3.544 -1.231 1.00 15.00 C ATOM 1332 CD GLU A 90 -9.887 -4.958 -1.137 1.00 15.00 C ATOM 1333 OE1 GLU A 90 -9.085 -5.884 -0.894 1.00 15.00 O ATOM 1334 OE2 GLU A 90 -11.111 -5.139 -1.306 1.00 15.00 O ATOM 0 H GLU A 90 -5.817 -1.767 -1.882 1.00 15.00 H new ATOM 0 HA GLU A 90 -8.296 -1.716 -3.471 1.00 15.00 H new ATOM 0 HB2 GLU A 90 -8.426 -3.958 -3.115 1.00 15.00 H new ATOM 0 HB3 GLU A 90 -7.313 -3.931 -1.762 1.00 15.00 H new ATOM 0 HG2 GLU A 90 -9.033 -3.212 -0.242 1.00 15.00 H new ATOM 0 HG3 GLU A 90 -10.147 -2.875 -1.552 1.00 15.00 H new ATOM 1341 N LYS A 91 -9.358 -0.371 -1.639 1.00 15.00 N ATOM 1342 CA LYS A 91 -9.859 0.580 -0.657 1.00 15.00 C ATOM 1343 C LYS A 91 -9.998 -0.072 0.714 1.00 15.00 C ATOM 1344 O LYS A 91 -10.995 -0.733 1.004 1.00 15.00 O ATOM 1345 CB LYS A 91 -11.198 1.155 -1.109 1.00 15.00 C ATOM 1346 CG LYS A 91 -11.520 2.495 -0.469 1.00 15.00 C ATOM 1347 CD LYS A 91 -11.044 3.654 -1.331 1.00 15.00 C ATOM 1348 CE LYS A 91 -10.498 4.790 -0.482 1.00 15.00 C ATOM 1349 NZ LYS A 91 -9.203 4.431 0.160 1.00 15.00 N ATOM 0 H LYS A 91 -9.951 -0.485 -2.461 1.00 15.00 H new ATOM 0 HA LYS A 91 -9.138 1.393 -0.575 1.00 15.00 H new ATOM 0 HB2 LYS A 91 -11.190 1.270 -2.193 1.00 15.00 H new ATOM 0 HB3 LYS A 91 -11.990 0.446 -0.870 1.00 15.00 H new ATOM 0 HG2 LYS A 91 -12.596 2.575 -0.312 1.00 15.00 H new ATOM 0 HG3 LYS A 91 -11.049 2.553 0.512 1.00 15.00 H new ATOM 0 HD2 LYS A 91 -10.271 3.306 -2.016 1.00 15.00 H new ATOM 0 HD3 LYS A 91 -11.870 4.019 -1.941 1.00 15.00 H new ATOM 0 HE2 LYS A 91 -10.362 5.675 -1.104 1.00 15.00 H new ATOM 0 HE3 LYS A 91 -11.225 5.050 0.288 1.00 15.00 H new ATOM 0 HZ1 LYS A 91 -8.581 5.264 0.177 1.00 15.00 H new ATOM 0 HZ2 LYS A 91 -9.376 4.108 1.133 1.00 15.00 H new ATOM 0 HZ3 LYS A 91 -8.746 3.669 -0.381 1.00 15.00 H new ATOM 1363 N GLY A 92 -8.982 0.117 1.548 1.00 15.00 N ATOM 1364 CA GLY A 92 -8.987 -0.457 2.883 1.00 15.00 C ATOM 1365 C GLY A 92 -9.952 0.236 3.828 1.00 15.00 C ATOM 1366 O GLY A 92 -9.552 0.703 4.895 1.00 15.00 O ATOM 0 H GLY A 92 -8.149 0.661 1.322 1.00 15.00 H new ATOM 0 HA2 GLY A 92 -9.249 -1.513 2.817 1.00 15.00 H new ATOM 0 HA3 GLY A 92 -7.981 -0.404 3.298 1.00 15.00 H new ATOM 1370 N GLN A 93 -11.223 0.301 3.445 1.00 15.00 N ATOM 1371 CA GLN A 93 -12.236 0.939 4.277 1.00 15.00 C ATOM 1372 C GLN A 93 -12.814 -0.049 5.286 1.00 15.00 C ATOM 1373 O GLN A 93 -13.220 -1.153 4.924 1.00 15.00 O ATOM 1374 CB GLN A 93 -13.354 1.516 3.407 1.00 15.00 C ATOM 1375 CG GLN A 93 -13.447 3.033 3.464 1.00 15.00 C ATOM 1376 CD GLN A 93 -13.767 3.546 4.854 1.00 15.00 C ATOM 1377 OE1 GLN A 93 -13.056 3.253 5.816 1.00 15.00 O ATOM 1378 NE2 GLN A 93 -14.841 4.318 4.968 1.00 15.00 N ATOM 0 H GLN A 93 -11.575 -0.079 2.566 1.00 15.00 H new ATOM 0 HA GLN A 93 -11.760 1.751 4.826 1.00 15.00 H new ATOM 0 HB2 GLN A 93 -13.194 1.208 2.374 1.00 15.00 H new ATOM 0 HB3 GLN A 93 -14.306 1.090 3.723 1.00 15.00 H new ATOM 0 HG2 GLN A 93 -12.503 3.464 3.130 1.00 15.00 H new ATOM 0 HG3 GLN A 93 -14.216 3.372 2.770 1.00 15.00 H new ATOM 0 HE21 GLN A 93 -15.402 4.536 4.145 1.00 15.00 H new ATOM 0 HE22 GLN A 93 -15.105 4.693 5.879 1.00 15.00 H new ATOM 1387 N SER A 94 -12.850 0.355 6.551 1.00 15.00 N ATOM 1388 CA SER A 94 -13.381 -0.496 7.610 1.00 15.00 C ATOM 1389 C SER A 94 -14.890 -0.311 7.748 1.00 15.00 C ATOM 1390 O SER A 94 -15.454 0.658 7.240 1.00 15.00 O ATOM 1391 CB SER A 94 -12.693 -0.183 8.940 1.00 15.00 C ATOM 1392 OG SER A 94 -11.339 0.184 8.740 1.00 15.00 O ATOM 0 H SER A 94 -12.518 1.266 6.868 1.00 15.00 H new ATOM 0 HA SER A 94 -13.182 -1.534 7.343 1.00 15.00 H new ATOM 0 HB2 SER A 94 -13.221 0.626 9.445 1.00 15.00 H new ATOM 0 HB3 SER A 94 -12.744 -1.054 9.593 1.00 15.00 H new ATOM 0 HG SER A 94 -10.922 0.381 9.605 1.00 15.00 H new ATOM 1398 N PRO A 95 -15.567 -1.242 8.443 1.00 15.00 N ATOM 1399 CA PRO A 95 -17.018 -1.175 8.646 1.00 15.00 C ATOM 1400 C PRO A 95 -17.469 0.191 9.154 1.00 15.00 C ATOM 1401 O PRO A 95 -18.612 0.596 8.941 1.00 15.00 O ATOM 1402 CB PRO A 95 -17.277 -2.252 9.701 1.00 15.00 C ATOM 1403 CG PRO A 95 -16.170 -3.231 9.519 1.00 15.00 C ATOM 1404 CD PRO A 95 -14.973 -2.430 9.084 1.00 15.00 C ATOM 0 HA PRO A 95 -17.568 -1.328 7.718 1.00 15.00 H new ATOM 0 HB2 PRO A 95 -17.272 -1.831 10.706 1.00 15.00 H new ATOM 0 HB3 PRO A 95 -18.250 -2.722 9.557 1.00 15.00 H new ATOM 0 HG2 PRO A 95 -15.965 -3.765 10.447 1.00 15.00 H new ATOM 0 HG3 PRO A 95 -16.431 -3.980 8.771 1.00 15.00 H new ATOM 0 HD2 PRO A 95 -14.344 -2.156 9.931 1.00 15.00 H new ATOM 0 HD3 PRO A 95 -14.347 -2.990 8.389 1.00 15.00 H new ATOM 1412 N THR A 96 -16.564 0.896 9.826 1.00 15.00 N ATOM 1413 CA THR A 96 -16.869 2.217 10.363 1.00 15.00 C ATOM 1414 C THR A 96 -16.543 3.306 9.346 1.00 15.00 C ATOM 1415 O THR A 96 -17.317 4.281 9.256 1.00 15.00 O ATOM 1416 CB THR A 96 -16.088 2.458 11.658 1.00 15.00 C ATOM 1417 OG1 THR A 96 -15.052 1.503 11.805 1.00 15.00 O ATOM 1418 CG2 THR A 96 -16.952 2.392 12.898 1.00 15.00 C ATOM 1419 OXT THR A 96 -15.515 3.174 8.649 1.00 15.00 O ATOM 0 H THR A 96 -15.614 0.574 10.011 1.00 15.00 H new ATOM 0 HA THR A 96 -17.937 2.257 10.580 1.00 15.00 H new ATOM 0 HB THR A 96 -15.685 3.467 11.568 1.00 15.00 H new ATOM 0 HG1 THR A 96 -14.393 1.622 11.089 1.00 15.00 H new ATOM 0 HG21 THR A 96 -16.337 2.571 13.780 1.00 15.00 H new ATOM 0 HG22 THR A 96 -17.732 3.151 12.839 1.00 15.00 H new ATOM 0 HG23 THR A 96 -17.410 1.406 12.970 1.00 15.00 H new TER 1427 THR A 96