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 Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.603) USER MOD Single : A 14 ASN : amide:sc= -3.37 K(o=-3.4,f=-6.5!) USER MOD Single : A 16 ASN : amide:sc= -1.46 X(o=-1.5,f=-1.5) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0602 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0538 USER MOD Single : A 27 ASN : amide:sc= -2 K(o=-2,f=-5.4!) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.617 K(o=-0.62,f=-0.11) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.141 USER MOD Single : A 38 LYS NZ :NH3+ -149:sc= -0.0542 (180deg=-0.687) USER MOD Single : A 43 GLN : amide:sc=-0.000829 K(o=-0.00083,f=-0.91) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -1.23 K(o=-1.2,f=-0.5) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -4.88! C(o=-4.9!,f=-3.1!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 71 HIS : no HD1:sc= -11.8! C(o=-12!,f=-11!) USER MOD Single : A 72 LYS NZ :NH3+ 150:sc= 0.111 (180deg=-1.28!) USER MOD Single : A 73 GLN : amide:sc= -1.49 K(o=-1.5,f=-5.6!) USER MOD Single : A 77 THR OG1 : rot 30:sc= -2.36! USER MOD Single : A 80 ASN : amide:sc= -1.3 K(o=-1.3,f=-2.3) USER MOD Single : A 81 THR OG1 : rot -89:sc= -0.48 USER MOD Single : A 83 GLN : amide:sc= -0.296 K(o=-0.3,f=-1.9!) USER MOD Single : A 86 HIS : no HD1:sc= -0.379 X(o=-0.38,f=-0.35) USER MOD Single : A 91 LYS NZ :NH3+ -148:sc= -0.14 (180deg=-0.823) USER MOD Single : A 93 GLN : amide:sc=-0.000481 X(o=-0.00048,f=-0.00048) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0295 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -21.358 5.093 3.301 1.00 15.00 N ATOM 2 CA PRO A 1 -20.733 4.864 1.971 1.00 15.00 C ATOM 3 C PRO A 1 -19.471 4.010 2.079 1.00 15.00 C ATOM 4 O PRO A 1 -18.536 4.355 2.803 1.00 15.00 O ATOM 5 CB PRO A 1 -20.402 6.229 1.376 1.00 15.00 C ATOM 6 CG PRO A 1 -21.008 7.204 2.330 1.00 15.00 C ATOM 7 CD PRO A 1 -21.101 6.497 3.660 1.00 15.00 C ATOM 0 H2 PRO A 1 -20.962 4.464 3.999 1.00 15.00 H new ATOM 0 H3 PRO A 1 -22.360 4.907 3.266 1.00 15.00 H new ATOM 0 HA PRO A 1 -21.427 4.319 1.331 1.00 15.00 H new ATOM 0 HB2 PRO A 1 -19.325 6.374 1.289 1.00 15.00 H new ATOM 0 HB3 PRO A 1 -20.820 6.339 0.376 1.00 15.00 H new ATOM 0 HG2 PRO A 1 -20.395 8.102 2.409 1.00 15.00 H new ATOM 0 HG3 PRO A 1 -21.994 7.520 1.988 1.00 15.00 H new ATOM 0 HD2 PRO A 1 -20.179 6.600 4.232 1.00 15.00 H new ATOM 0 HD3 PRO A 1 -21.904 6.905 4.274 1.00 15.00 H new ATOM 17 N LYS A 2 -19.452 2.897 1.354 1.00 15.00 N ATOM 18 CA LYS A 2 -18.307 1.995 1.368 1.00 15.00 C ATOM 19 C LYS A 2 -18.099 1.359 -0.005 1.00 15.00 C ATOM 20 O LYS A 2 -18.874 0.496 -0.419 1.00 15.00 O ATOM 21 CB LYS A 2 -18.507 0.903 2.421 1.00 15.00 C ATOM 22 CG LYS A 2 -19.871 0.236 2.353 1.00 15.00 C ATOM 23 CD LYS A 2 -19.798 -1.225 2.766 1.00 15.00 C ATOM 24 CE LYS A 2 -19.674 -1.370 4.274 1.00 15.00 C ATOM 25 NZ LYS A 2 -20.511 -2.486 4.794 1.00 15.00 N ATOM 0 H LYS A 2 -20.217 2.598 0.749 1.00 15.00 H new ATOM 0 HA LYS A 2 -17.420 2.577 1.619 1.00 15.00 H new ATOM 0 HB2 LYS A 2 -17.734 0.144 2.297 1.00 15.00 H new ATOM 0 HB3 LYS A 2 -18.373 1.336 3.412 1.00 15.00 H new ATOM 0 HG2 LYS A 2 -20.568 0.764 3.003 1.00 15.00 H new ATOM 0 HG3 LYS A 2 -20.263 0.309 1.338 1.00 15.00 H new ATOM 0 HD2 LYS A 2 -20.690 -1.747 2.421 1.00 15.00 H new ATOM 0 HD3 LYS A 2 -18.944 -1.699 2.282 1.00 15.00 H new ATOM 0 HE2 LYS A 2 -18.631 -1.545 4.538 1.00 15.00 H new ATOM 0 HE3 LYS A 2 -19.972 -0.438 4.754 1.00 15.00 H new ATOM 0 HZ1 LYS A 2 -20.399 -2.552 5.826 1.00 15.00 H new ATOM 0 HZ2 LYS A 2 -21.510 -2.307 4.565 1.00 15.00 H new ATOM 0 HZ3 LYS A 2 -20.210 -3.379 4.355 1.00 15.00 H new ATOM 39 N PRO A 3 -17.049 1.775 -0.738 1.00 15.00 N ATOM 40 CA PRO A 3 -16.757 1.235 -2.070 1.00 15.00 C ATOM 41 C PRO A 3 -16.468 -0.264 -2.042 1.00 15.00 C ATOM 42 O PRO A 3 -17.294 -1.069 -2.470 1.00 15.00 O ATOM 43 CB PRO A 3 -15.517 2.015 -2.522 1.00 15.00 C ATOM 44 CG PRO A 3 -14.923 2.566 -1.271 1.00 15.00 C ATOM 45 CD PRO A 3 -16.071 2.800 -0.333 1.00 15.00 C ATOM 0 HA PRO A 3 -17.608 1.347 -2.742 1.00 15.00 H new ATOM 0 HB2 PRO A 3 -14.811 1.366 -3.040 1.00 15.00 H new ATOM 0 HB3 PRO A 3 -15.785 2.813 -3.215 1.00 15.00 H new ATOM 0 HG2 PRO A 3 -14.204 1.869 -0.841 1.00 15.00 H new ATOM 0 HG3 PRO A 3 -14.387 3.494 -1.470 1.00 15.00 H new ATOM 0 HD2 PRO A 3 -15.771 2.682 0.708 1.00 15.00 H new ATOM 0 HD3 PRO A 3 -16.476 3.807 -0.436 1.00 15.00 H new ATOM 53 N GLY A 4 -15.291 -0.635 -1.547 1.00 15.00 N ATOM 54 CA GLY A 4 -14.926 -2.039 -1.487 1.00 15.00 C ATOM 55 C GLY A 4 -14.140 -2.474 -2.707 1.00 15.00 C ATOM 56 O GLY A 4 -13.323 -3.391 -2.635 1.00 15.00 O ATOM 0 H GLY A 4 -14.586 0.009 -1.188 1.00 15.00 H new ATOM 0 HA2 GLY A 4 -14.334 -2.222 -0.590 1.00 15.00 H new ATOM 0 HA3 GLY A 4 -15.828 -2.645 -1.402 1.00 15.00 H new ATOM 60 N ASP A 5 -14.388 -1.808 -3.829 1.00 15.00 N ATOM 61 CA ASP A 5 -13.699 -2.122 -5.073 1.00 15.00 C ATOM 62 C ASP A 5 -12.206 -1.898 -4.935 1.00 15.00 C ATOM 63 O ASP A 5 -11.744 -1.128 -4.092 1.00 15.00 O ATOM 64 CB ASP A 5 -14.254 -1.274 -6.219 1.00 15.00 C ATOM 65 CG ASP A 5 -15.291 -2.017 -7.039 1.00 15.00 C ATOM 66 OD1 ASP A 5 -14.916 -2.989 -7.729 1.00 15.00 O ATOM 67 OD2 ASP A 5 -16.476 -1.628 -6.991 1.00 15.00 O ATOM 0 H ASP A 5 -15.062 -1.046 -3.902 1.00 15.00 H new ATOM 0 HA ASP A 5 -13.870 -3.175 -5.298 1.00 15.00 H new ATOM 0 HB2 ASP A 5 -14.699 -0.366 -5.813 1.00 15.00 H new ATOM 0 HB3 ASP A 5 -13.435 -0.965 -6.868 1.00 15.00 H new ATOM 72 N ILE A 6 -11.466 -2.594 -5.774 1.00 15.00 N ATOM 73 CA ILE A 6 -10.021 -2.516 -5.783 1.00 15.00 C ATOM 74 C ILE A 6 -9.545 -1.254 -6.497 1.00 15.00 C ATOM 75 O ILE A 6 -10.162 -0.805 -7.462 1.00 15.00 O ATOM 76 CB ILE A 6 -9.445 -3.762 -6.485 1.00 15.00 C ATOM 77 CG1 ILE A 6 -8.924 -4.763 -5.455 1.00 15.00 C ATOM 78 CG2 ILE A 6 -8.342 -3.388 -7.472 1.00 15.00 C ATOM 79 CD1 ILE A 6 -10.022 -5.430 -4.655 1.00 15.00 C ATOM 0 H ILE A 6 -11.852 -3.231 -6.471 1.00 15.00 H new ATOM 0 HA ILE A 6 -9.669 -2.477 -4.752 1.00 15.00 H new ATOM 0 HB ILE A 6 -10.252 -4.228 -7.050 1.00 15.00 H new ATOM 0 HG12 ILE A 6 -8.341 -5.529 -5.966 1.00 15.00 H new ATOM 0 HG13 ILE A 6 -8.247 -4.250 -4.772 1.00 15.00 H new ATOM 0 HG21 ILE A 6 -7.959 -4.290 -7.948 1.00 15.00 H new ATOM 0 HG22 ILE A 6 -8.746 -2.719 -8.232 1.00 15.00 H new ATOM 0 HG23 ILE A 6 -7.533 -2.887 -6.941 1.00 15.00 H new ATOM 0 HD11 ILE A 6 -9.581 -6.128 -3.943 1.00 15.00 H new ATOM 0 HD12 ILE A 6 -10.591 -4.672 -4.116 1.00 15.00 H new ATOM 0 HD13 ILE A 6 -10.686 -5.971 -5.329 1.00 15.00 H new ATOM 91 N PHE A 7 -8.433 -0.700 -6.030 1.00 15.00 N ATOM 92 CA PHE A 7 -7.867 0.492 -6.644 1.00 15.00 C ATOM 93 C PHE A 7 -6.347 0.389 -6.694 1.00 15.00 C ATOM 94 O PHE A 7 -5.753 -0.450 -6.020 1.00 15.00 O ATOM 95 CB PHE A 7 -8.307 1.756 -5.894 1.00 15.00 C ATOM 96 CG PHE A 7 -7.545 2.022 -4.625 1.00 15.00 C ATOM 97 CD1 PHE A 7 -6.241 2.489 -4.667 1.00 15.00 C ATOM 98 CD2 PHE A 7 -8.138 1.813 -3.391 1.00 15.00 C ATOM 99 CE1 PHE A 7 -5.543 2.740 -3.504 1.00 15.00 C ATOM 100 CE2 PHE A 7 -7.444 2.064 -2.223 1.00 15.00 C ATOM 101 CZ PHE A 7 -6.145 2.528 -2.280 1.00 15.00 C ATOM 0 H PHE A 7 -7.908 -1.056 -5.231 1.00 15.00 H new ATOM 0 HA PHE A 7 -8.241 0.565 -7.665 1.00 15.00 H new ATOM 0 HB2 PHE A 7 -8.196 2.614 -6.557 1.00 15.00 H new ATOM 0 HB3 PHE A 7 -9.367 1.672 -5.656 1.00 15.00 H new ATOM 0 HD1 PHE A 7 -5.765 2.658 -5.622 1.00 15.00 H new ATOM 0 HD2 PHE A 7 -9.154 1.450 -3.341 1.00 15.00 H new ATOM 0 HE1 PHE A 7 -4.527 3.102 -3.551 1.00 15.00 H new ATOM 0 HE2 PHE A 7 -7.917 1.897 -1.267 1.00 15.00 H new ATOM 0 HZ PHE A 7 -5.601 2.725 -1.368 1.00 15.00 H new ATOM 111 N GLU A 8 -5.724 1.231 -7.510 1.00 15.00 N ATOM 112 CA GLU A 8 -4.273 1.211 -7.661 1.00 15.00 C ATOM 113 C GLU A 8 -3.668 2.602 -7.512 1.00 15.00 C ATOM 114 O GLU A 8 -4.236 3.598 -7.961 1.00 15.00 O ATOM 115 CB GLU A 8 -3.908 0.647 -9.029 1.00 15.00 C ATOM 116 CG GLU A 8 -4.605 1.351 -10.176 1.00 15.00 C ATOM 117 CD GLU A 8 -4.772 0.465 -11.395 1.00 15.00 C ATOM 118 OE1 GLU A 8 -5.194 -0.699 -11.229 1.00 15.00 O ATOM 119 OE2 GLU A 8 -4.482 0.935 -12.515 1.00 15.00 O ATOM 0 H GLU A 8 -6.199 1.934 -8.076 1.00 15.00 H new ATOM 0 HA GLU A 8 -3.867 0.580 -6.871 1.00 15.00 H new ATOM 0 HB2 GLU A 8 -2.830 0.721 -9.168 1.00 15.00 H new ATOM 0 HB3 GLU A 8 -4.160 -0.413 -9.056 1.00 15.00 H new ATOM 0 HG2 GLU A 8 -5.585 1.693 -9.844 1.00 15.00 H new ATOM 0 HG3 GLU A 8 -4.035 2.238 -10.452 1.00 15.00 H new ATOM 126 N VAL A 9 -2.496 2.645 -6.896 1.00 15.00 N ATOM 127 CA VAL A 9 -1.765 3.890 -6.693 1.00 15.00 C ATOM 128 C VAL A 9 -0.644 4.000 -7.718 1.00 15.00 C ATOM 129 O VAL A 9 0.280 3.188 -7.729 1.00 15.00 O ATOM 130 CB VAL A 9 -1.192 4.000 -5.252 1.00 15.00 C ATOM 131 CG1 VAL A 9 -1.181 2.642 -4.563 1.00 15.00 C ATOM 132 CG2 VAL A 9 0.208 4.606 -5.252 1.00 15.00 C ATOM 0 H VAL A 9 -2.025 1.821 -6.523 1.00 15.00 H new ATOM 0 HA VAL A 9 -2.465 4.715 -6.826 1.00 15.00 H new ATOM 0 HB VAL A 9 -1.848 4.667 -4.692 1.00 15.00 H new ATOM 0 HG11 VAL A 9 -0.775 2.748 -3.557 1.00 15.00 H new ATOM 0 HG12 VAL A 9 -2.198 2.255 -4.505 1.00 15.00 H new ATOM 0 HG13 VAL A 9 -0.561 1.950 -5.133 1.00 15.00 H new ATOM 0 HG21 VAL A 9 0.578 4.668 -4.228 1.00 15.00 H new ATOM 0 HG22 VAL A 9 0.876 3.978 -5.842 1.00 15.00 H new ATOM 0 HG23 VAL A 9 0.172 5.605 -5.686 1.00 15.00 H new ATOM 142 N GLU A 10 -0.743 4.992 -8.590 1.00 15.00 N ATOM 143 CA GLU A 10 0.252 5.184 -9.631 1.00 15.00 C ATOM 144 C GLU A 10 1.166 6.369 -9.340 1.00 15.00 C ATOM 145 O GLU A 10 1.083 7.407 -9.999 1.00 15.00 O ATOM 146 CB GLU A 10 -0.443 5.371 -10.974 1.00 15.00 C ATOM 147 CG GLU A 10 0.512 5.611 -12.133 1.00 15.00 C ATOM 148 CD GLU A 10 0.218 6.901 -12.874 1.00 15.00 C ATOM 149 OE1 GLU A 10 -0.245 7.864 -12.227 1.00 15.00 O ATOM 150 OE2 GLU A 10 0.453 6.949 -14.100 1.00 15.00 O ATOM 0 H GLU A 10 -1.501 5.675 -8.597 1.00 15.00 H new ATOM 0 HA GLU A 10 0.880 4.294 -9.661 1.00 15.00 H new ATOM 0 HB2 GLU A 10 -1.043 4.487 -11.188 1.00 15.00 H new ATOM 0 HB3 GLU A 10 -1.131 6.214 -10.902 1.00 15.00 H new ATOM 0 HG2 GLU A 10 1.535 5.638 -11.757 1.00 15.00 H new ATOM 0 HG3 GLU A 10 0.450 4.774 -12.829 1.00 15.00 H new ATOM 157 N LEU A 11 2.054 6.200 -8.369 1.00 15.00 N ATOM 158 CA LEU A 11 3.003 7.247 -8.013 1.00 15.00 C ATOM 159 C LEU A 11 4.256 7.114 -8.872 1.00 15.00 C ATOM 160 O LEU A 11 4.461 6.088 -9.515 1.00 15.00 O ATOM 161 CB LEU A 11 3.371 7.163 -6.529 1.00 15.00 C ATOM 162 CG LEU A 11 3.548 8.511 -5.819 1.00 15.00 C ATOM 163 CD1 LEU A 11 2.253 9.310 -5.836 1.00 15.00 C ATOM 164 CD2 LEU A 11 4.024 8.300 -4.389 1.00 15.00 C ATOM 0 H LEU A 11 2.137 5.348 -7.814 1.00 15.00 H new ATOM 0 HA LEU A 11 2.540 8.217 -8.195 1.00 15.00 H new ATOM 0 HB2 LEU A 11 2.596 6.598 -6.011 1.00 15.00 H new ATOM 0 HB3 LEU A 11 4.297 6.596 -6.433 1.00 15.00 H new ATOM 0 HG LEU A 11 4.305 9.081 -6.358 1.00 15.00 H new ATOM 0 HD11 LEU A 11 2.406 10.261 -5.326 1.00 15.00 H new ATOM 0 HD12 LEU A 11 1.953 9.495 -6.867 1.00 15.00 H new ATOM 0 HD13 LEU A 11 1.471 8.747 -5.326 1.00 15.00 H new ATOM 0 HD21 LEU A 11 4.145 9.266 -3.899 1.00 15.00 H new ATOM 0 HD22 LEU A 11 3.289 7.707 -3.845 1.00 15.00 H new ATOM 0 HD23 LEU A 11 4.980 7.776 -4.397 1.00 15.00 H new ATOM 176 N ALA A 12 5.089 8.146 -8.888 1.00 15.00 N ATOM 177 CA ALA A 12 6.311 8.112 -9.683 1.00 15.00 C ATOM 178 C ALA A 12 7.508 7.692 -8.841 1.00 15.00 C ATOM 179 O ALA A 12 8.163 8.523 -8.211 1.00 15.00 O ATOM 180 CB ALA A 12 6.568 9.462 -10.331 1.00 15.00 C ATOM 0 H ALA A 12 4.944 9.010 -8.365 1.00 15.00 H new ATOM 0 HA ALA A 12 6.174 7.369 -10.468 1.00 15.00 H new ATOM 0 HB1 ALA A 12 7.484 9.415 -10.919 1.00 15.00 H new ATOM 0 HB2 ALA A 12 5.732 9.718 -10.982 1.00 15.00 H new ATOM 0 HB3 ALA A 12 6.672 10.223 -9.558 1.00 15.00 H new ATOM 186 N LYS A 13 7.788 6.394 -8.838 1.00 15.00 N ATOM 187 CA LYS A 13 8.907 5.851 -8.080 1.00 15.00 C ATOM 188 C LYS A 13 10.221 6.515 -8.489 1.00 15.00 C ATOM 189 O LYS A 13 11.164 6.591 -7.704 1.00 15.00 O ATOM 190 CB LYS A 13 8.992 4.337 -8.290 1.00 15.00 C ATOM 191 CG LYS A 13 9.518 3.585 -7.082 1.00 15.00 C ATOM 192 CD LYS A 13 10.902 4.066 -6.692 1.00 15.00 C ATOM 193 CE LYS A 13 10.843 5.030 -5.519 1.00 15.00 C ATOM 194 NZ LYS A 13 12.198 5.489 -5.108 1.00 15.00 N ATOM 0 H LYS A 13 7.253 5.696 -9.355 1.00 15.00 H new ATOM 0 HA LYS A 13 8.739 6.058 -7.023 1.00 15.00 H new ATOM 0 HB2 LYS A 13 8.002 3.957 -8.541 1.00 15.00 H new ATOM 0 HB3 LYS A 13 9.638 4.133 -9.144 1.00 15.00 H new ATOM 0 HG2 LYS A 13 8.835 3.718 -6.243 1.00 15.00 H new ATOM 0 HG3 LYS A 13 9.550 2.518 -7.301 1.00 15.00 H new ATOM 0 HD2 LYS A 13 11.526 3.211 -6.431 1.00 15.00 H new ATOM 0 HD3 LYS A 13 11.372 4.556 -7.545 1.00 15.00 H new ATOM 0 HE2 LYS A 13 10.234 5.893 -5.789 1.00 15.00 H new ATOM 0 HE3 LYS A 13 10.353 4.545 -4.675 1.00 15.00 H new ATOM 0 HZ1 LYS A 13 12.125 6.420 -4.650 1.00 15.00 H new ATOM 0 HZ2 LYS A 13 12.608 4.806 -4.440 1.00 15.00 H new ATOM 0 HZ3 LYS A 13 12.809 5.563 -5.947 1.00 15.00 H new ATOM 208 N ASN A 14 10.274 7.000 -9.723 1.00 15.00 N ATOM 209 CA ASN A 14 11.472 7.655 -10.236 1.00 15.00 C ATOM 210 C ASN A 14 11.504 9.122 -9.825 1.00 15.00 C ATOM 211 O ASN A 14 12.512 9.611 -9.317 1.00 15.00 O ATOM 212 CB ASN A 14 11.524 7.549 -11.761 1.00 15.00 C ATOM 213 CG ASN A 14 11.920 6.167 -12.238 1.00 15.00 C ATOM 214 OD1 ASN A 14 12.507 5.383 -11.492 1.00 15.00 O ATOM 215 ND2 ASN A 14 11.600 5.862 -13.490 1.00 15.00 N ATOM 0 H ASN A 14 9.502 6.953 -10.388 1.00 15.00 H new ATOM 0 HA ASN A 14 12.340 7.152 -9.811 1.00 15.00 H new ATOM 0 HB2 ASN A 14 10.548 7.805 -12.172 1.00 15.00 H new ATOM 0 HB3 ASN A 14 12.234 8.280 -12.148 1.00 15.00 H new ATOM 0 HD21 ASN A 14 11.841 4.946 -13.869 1.00 15.00 H new ATOM 0 HD22 ASN A 14 11.113 6.543 -14.072 1.00 15.00 H new ATOM 222 N ASP A 15 10.394 9.820 -10.039 1.00 15.00 N ATOM 223 CA ASP A 15 10.304 11.229 -9.679 1.00 15.00 C ATOM 224 C ASP A 15 10.567 11.412 -8.188 1.00 15.00 C ATOM 225 O ASP A 15 11.217 12.371 -7.772 1.00 15.00 O ATOM 226 CB ASP A 15 8.925 11.786 -10.041 1.00 15.00 C ATOM 227 CG ASP A 15 9.006 13.161 -10.674 1.00 15.00 C ATOM 228 OD1 ASP A 15 9.869 13.359 -11.555 1.00 15.00 O ATOM 229 OD2 ASP A 15 8.208 14.041 -10.288 1.00 15.00 O ATOM 0 H ASP A 15 9.548 9.435 -10.458 1.00 15.00 H new ATOM 0 HA ASP A 15 11.061 11.777 -10.240 1.00 15.00 H new ATOM 0 HB2 ASP A 15 8.428 11.101 -10.728 1.00 15.00 H new ATOM 0 HB3 ASP A 15 8.310 11.838 -9.143 1.00 15.00 H new ATOM 234 N ASN A 16 10.058 10.478 -7.391 1.00 15.00 N ATOM 235 CA ASN A 16 10.235 10.520 -5.945 1.00 15.00 C ATOM 236 C ASN A 16 9.873 9.177 -5.319 1.00 15.00 C ATOM 237 O ASN A 16 9.200 8.355 -5.940 1.00 15.00 O ATOM 238 CB ASN A 16 9.374 11.629 -5.338 1.00 15.00 C ATOM 239 CG ASN A 16 10.064 12.978 -5.365 1.00 15.00 C ATOM 240 OD1 ASN A 16 9.649 13.888 -6.084 1.00 15.00 O ATOM 241 ND2 ASN A 16 11.126 13.115 -4.579 1.00 15.00 N ATOM 0 H ASN A 16 9.518 9.680 -7.725 1.00 15.00 H new ATOM 0 HA ASN A 16 11.284 10.730 -5.735 1.00 15.00 H new ATOM 0 HB2 ASN A 16 8.433 11.695 -5.884 1.00 15.00 H new ATOM 0 HB3 ASN A 16 9.127 11.371 -4.308 1.00 15.00 H new ATOM 0 HD21 ASN A 16 11.632 14.000 -4.555 1.00 15.00 H new ATOM 0 HD22 ASN A 16 11.436 12.335 -3.999 1.00 15.00 H new ATOM 248 N SER A 17 10.316 8.961 -4.084 1.00 15.00 N ATOM 249 CA SER A 17 10.027 7.717 -3.379 1.00 15.00 C ATOM 250 C SER A 17 8.680 7.810 -2.674 1.00 15.00 C ATOM 251 O SER A 17 7.861 8.666 -3.001 1.00 15.00 O ATOM 252 CB SER A 17 11.123 7.411 -2.357 1.00 15.00 C ATOM 253 OG SER A 17 12.205 8.319 -2.476 1.00 15.00 O ATOM 0 H SER A 17 10.875 9.629 -3.552 1.00 15.00 H new ATOM 0 HA SER A 17 9.993 6.910 -4.111 1.00 15.00 H new ATOM 0 HB2 SER A 17 10.710 7.464 -1.350 1.00 15.00 H new ATOM 0 HB3 SER A 17 11.483 6.392 -2.500 1.00 15.00 H new ATOM 0 HG SER A 17 12.890 8.101 -1.810 1.00 15.00 H new ATOM 259 N LEU A 18 8.454 6.934 -1.701 1.00 15.00 N ATOM 260 CA LEU A 18 7.204 6.946 -0.961 1.00 15.00 C ATOM 261 C LEU A 18 7.342 7.763 0.317 1.00 15.00 C ATOM 262 O LEU A 18 8.356 8.425 0.538 1.00 15.00 O ATOM 263 CB LEU A 18 6.745 5.520 -0.631 1.00 15.00 C ATOM 264 CG LEU A 18 6.627 4.582 -1.834 1.00 15.00 C ATOM 265 CD1 LEU A 18 5.773 5.214 -2.922 1.00 15.00 C ATOM 266 CD2 LEU A 18 8.006 4.230 -2.374 1.00 15.00 C ATOM 0 H LEU A 18 9.115 6.214 -1.410 1.00 15.00 H new ATOM 0 HA LEU A 18 6.448 7.412 -1.593 1.00 15.00 H new ATOM 0 HB2 LEU A 18 7.446 5.085 0.082 1.00 15.00 H new ATOM 0 HB3 LEU A 18 5.776 5.572 -0.134 1.00 15.00 H new ATOM 0 HG LEU A 18 6.141 3.663 -1.507 1.00 15.00 H new ATOM 0 HD11 LEU A 18 5.700 4.532 -3.769 1.00 15.00 H new ATOM 0 HD12 LEU A 18 4.775 5.414 -2.531 1.00 15.00 H new ATOM 0 HD13 LEU A 18 6.230 6.149 -3.246 1.00 15.00 H new ATOM 0 HD21 LEU A 18 7.902 3.562 -3.229 1.00 15.00 H new ATOM 0 HD22 LEU A 18 8.518 5.141 -2.685 1.00 15.00 H new ATOM 0 HD23 LEU A 18 8.586 3.735 -1.595 1.00 15.00 H new ATOM 278 N GLY A 19 6.313 7.713 1.150 1.00 15.00 N ATOM 279 CA GLY A 19 6.317 8.451 2.397 1.00 15.00 C ATOM 280 C GLY A 19 5.270 7.937 3.353 1.00 15.00 C ATOM 281 O GLY A 19 4.673 8.701 4.106 1.00 15.00 O ATOM 0 H GLY A 19 5.467 7.169 0.982 1.00 15.00 H new ATOM 0 HA2 GLY A 19 7.301 8.377 2.861 1.00 15.00 H new ATOM 0 HA3 GLY A 19 6.138 9.507 2.195 1.00 15.00 H new ATOM 285 N ILE A 20 5.034 6.636 3.300 1.00 15.00 N ATOM 286 CA ILE A 20 4.042 6.000 4.149 1.00 15.00 C ATOM 287 C ILE A 20 4.678 5.065 5.169 1.00 15.00 C ATOM 288 O ILE A 20 5.590 4.302 4.851 1.00 15.00 O ATOM 289 CB ILE A 20 3.023 5.212 3.298 1.00 15.00 C ATOM 290 CG1 ILE A 20 1.610 5.706 3.587 1.00 15.00 C ATOM 291 CG2 ILE A 20 3.126 3.719 3.567 1.00 15.00 C ATOM 292 CD1 ILE A 20 0.536 4.693 3.281 1.00 15.00 C ATOM 0 H ILE A 20 5.521 5.996 2.672 1.00 15.00 H new ATOM 0 HA ILE A 20 3.531 6.796 4.690 1.00 15.00 H new ATOM 0 HB ILE A 20 3.251 5.381 2.246 1.00 15.00 H new ATOM 0 HG12 ILE A 20 1.542 5.988 4.638 1.00 15.00 H new ATOM 0 HG13 ILE A 20 1.424 6.607 3.003 1.00 15.00 H new ATOM 0 HG21 ILE A 20 2.397 3.188 2.955 1.00 15.00 H new ATOM 0 HG22 ILE A 20 4.129 3.373 3.319 1.00 15.00 H new ATOM 0 HG23 ILE A 20 2.925 3.524 4.621 1.00 15.00 H new ATOM 0 HD11 ILE A 20 -0.441 5.117 3.512 1.00 15.00 H new ATOM 0 HD12 ILE A 20 0.576 4.428 2.224 1.00 15.00 H new ATOM 0 HD13 ILE A 20 0.696 3.800 3.885 1.00 15.00 H new ATOM 304 N SER A 21 4.143 5.091 6.379 1.00 15.00 N ATOM 305 CA SER A 21 4.601 4.208 7.434 1.00 15.00 C ATOM 306 C SER A 21 3.667 3.004 7.458 1.00 15.00 C ATOM 307 O SER A 21 2.539 3.097 7.940 1.00 15.00 O ATOM 308 CB SER A 21 4.603 4.936 8.783 1.00 15.00 C ATOM 309 OG SER A 21 5.006 4.071 9.830 1.00 15.00 O ATOM 0 H SER A 21 3.387 5.718 6.654 1.00 15.00 H new ATOM 0 HA SER A 21 5.625 3.884 7.248 1.00 15.00 H new ATOM 0 HB2 SER A 21 5.275 5.793 8.736 1.00 15.00 H new ATOM 0 HB3 SER A 21 3.606 5.324 8.992 1.00 15.00 H new ATOM 0 HG SER A 21 5.000 4.560 10.679 1.00 15.00 H new ATOM 315 N VAL A 22 4.110 1.892 6.877 1.00 15.00 N ATOM 316 CA VAL A 22 3.267 0.703 6.783 1.00 15.00 C ATOM 317 C VAL A 22 3.486 -0.268 7.937 1.00 15.00 C ATOM 318 O VAL A 22 4.560 -0.317 8.535 1.00 15.00 O ATOM 319 CB VAL A 22 3.484 -0.048 5.443 1.00 15.00 C ATOM 320 CG1 VAL A 22 3.758 0.920 4.300 1.00 15.00 C ATOM 321 CG2 VAL A 22 4.615 -1.061 5.554 1.00 15.00 C ATOM 0 H VAL A 22 5.039 1.789 6.468 1.00 15.00 H new ATOM 0 HA VAL A 22 2.241 1.069 6.833 1.00 15.00 H new ATOM 0 HB VAL A 22 2.561 -0.584 5.224 1.00 15.00 H new ATOM 0 HG11 VAL A 22 3.905 0.360 3.376 1.00 15.00 H new ATOM 0 HG12 VAL A 22 2.910 1.595 4.184 1.00 15.00 H new ATOM 0 HG13 VAL A 22 4.655 1.499 4.520 1.00 15.00 H new ATOM 0 HG21 VAL A 22 4.742 -1.571 4.599 1.00 15.00 H new ATOM 0 HG22 VAL A 22 5.539 -0.547 5.817 1.00 15.00 H new ATOM 0 HG23 VAL A 22 4.374 -1.792 6.326 1.00 15.00 H new ATOM 331 N THR A 23 2.447 -1.048 8.227 1.00 15.00 N ATOM 332 CA THR A 23 2.493 -2.041 9.291 1.00 15.00 C ATOM 333 C THR A 23 1.583 -3.224 8.955 1.00 15.00 C ATOM 334 O THR A 23 1.031 -3.302 7.854 1.00 15.00 O ATOM 335 CB THR A 23 2.083 -1.415 10.622 1.00 15.00 C ATOM 336 OG1 THR A 23 2.225 -2.345 11.681 1.00 15.00 O ATOM 337 CG2 THR A 23 0.656 -0.921 10.633 1.00 15.00 C ATOM 0 H THR A 23 1.556 -1.008 7.733 1.00 15.00 H new ATOM 0 HA THR A 23 3.516 -2.405 9.381 1.00 15.00 H new ATOM 0 HB THR A 23 2.748 -0.562 10.757 1.00 15.00 H new ATOM 0 HG1 THR A 23 1.959 -1.923 12.525 1.00 15.00 H new ATOM 0 HG21 THR A 23 0.428 -0.488 11.607 1.00 15.00 H new ATOM 0 HG22 THR A 23 0.527 -0.163 9.860 1.00 15.00 H new ATOM 0 HG23 THR A 23 -0.019 -1.755 10.440 1.00 15.00 H new ATOM 345 N GLY A 24 1.428 -4.142 9.905 1.00 15.00 N ATOM 346 CA GLY A 24 0.582 -5.303 9.679 1.00 15.00 C ATOM 347 C GLY A 24 1.244 -6.333 8.789 1.00 15.00 C ATOM 348 O GLY A 24 2.253 -6.928 9.165 1.00 15.00 O ATOM 0 H GLY A 24 1.870 -4.104 10.823 1.00 15.00 H new ATOM 0 HA2 GLY A 24 0.333 -5.760 10.637 1.00 15.00 H new ATOM 0 HA3 GLY A 24 -0.356 -4.983 9.225 1.00 15.00 H new ATOM 352 N GLY A 25 0.681 -6.532 7.601 1.00 15.00 N ATOM 353 CA GLY A 25 1.240 -7.483 6.657 1.00 15.00 C ATOM 354 C GLY A 25 1.215 -8.918 7.149 1.00 15.00 C ATOM 355 O GLY A 25 0.532 -9.762 6.571 1.00 15.00 O ATOM 0 H GLY A 25 -0.156 -6.049 7.274 1.00 15.00 H new ATOM 0 HA2 GLY A 25 0.686 -7.420 5.720 1.00 15.00 H new ATOM 0 HA3 GLY A 25 2.270 -7.201 6.438 1.00 15.00 H new ATOM 359 N VAL A 26 1.983 -9.191 8.205 1.00 15.00 N ATOM 360 CA VAL A 26 2.088 -10.535 8.791 1.00 15.00 C ATOM 361 C VAL A 26 0.844 -11.384 8.534 1.00 15.00 C ATOM 362 O VAL A 26 -0.283 -10.895 8.605 1.00 15.00 O ATOM 363 CB VAL A 26 2.343 -10.470 10.312 1.00 15.00 C ATOM 364 CG1 VAL A 26 3.819 -10.678 10.615 1.00 15.00 C ATOM 365 CG2 VAL A 26 1.858 -9.147 10.883 1.00 15.00 C ATOM 0 H VAL A 26 2.551 -8.489 8.680 1.00 15.00 H new ATOM 0 HA VAL A 26 2.937 -11.007 8.298 1.00 15.00 H new ATOM 0 HB VAL A 26 1.779 -11.272 10.788 1.00 15.00 H new ATOM 0 HG11 VAL A 26 3.980 -10.629 11.692 1.00 15.00 H new ATOM 0 HG12 VAL A 26 4.132 -11.654 10.245 1.00 15.00 H new ATOM 0 HG13 VAL A 26 4.404 -9.900 10.125 1.00 15.00 H new ATOM 0 HG21 VAL A 26 2.047 -9.123 11.956 1.00 15.00 H new ATOM 0 HG22 VAL A 26 2.390 -8.326 10.402 1.00 15.00 H new ATOM 0 HG23 VAL A 26 0.788 -9.042 10.701 1.00 15.00 H new ATOM 375 N ASN A 27 1.066 -12.660 8.234 1.00 15.00 N ATOM 376 CA ASN A 27 -0.025 -13.588 7.960 1.00 15.00 C ATOM 377 C ASN A 27 -0.729 -14.003 9.250 1.00 15.00 C ATOM 378 O ASN A 27 -0.753 -15.182 9.604 1.00 15.00 O ATOM 379 CB ASN A 27 0.511 -14.828 7.240 1.00 15.00 C ATOM 380 CG ASN A 27 1.328 -14.476 6.012 1.00 15.00 C ATOM 381 OD1 ASN A 27 1.299 -13.341 5.537 1.00 15.00 O ATOM 382 ND2 ASN A 27 2.063 -15.451 5.491 1.00 15.00 N ATOM 0 H ASN A 27 1.996 -13.076 8.174 1.00 15.00 H new ATOM 0 HA ASN A 27 -0.749 -13.082 7.321 1.00 15.00 H new ATOM 0 HB2 ASN A 27 1.126 -15.407 7.929 1.00 15.00 H new ATOM 0 HB3 ASN A 27 -0.324 -15.464 6.947 1.00 15.00 H new ATOM 0 HD21 ASN A 27 2.634 -15.274 4.664 1.00 15.00 H new ATOM 0 HD22 ASN A 27 2.057 -16.378 5.917 1.00 15.00 H new ATOM 389 N THR A 28 -1.301 -13.028 9.949 1.00 15.00 N ATOM 390 CA THR A 28 -2.003 -13.299 11.198 1.00 15.00 C ATOM 391 C THR A 28 -3.104 -12.272 11.443 1.00 15.00 C ATOM 392 O THR A 28 -4.289 -12.602 11.434 1.00 15.00 O ATOM 393 CB THR A 28 -1.020 -13.299 12.369 1.00 15.00 C ATOM 394 OG1 THR A 28 0.086 -12.457 12.096 1.00 15.00 O ATOM 395 CG2 THR A 28 -0.479 -14.675 12.697 1.00 15.00 C ATOM 0 H THR A 28 -1.292 -12.046 9.673 1.00 15.00 H new ATOM 0 HA THR A 28 -2.464 -14.283 11.118 1.00 15.00 H new ATOM 0 HB THR A 28 -1.591 -12.937 13.224 1.00 15.00 H new ATOM 0 HG1 THR A 28 0.702 -12.469 12.858 1.00 15.00 H new ATOM 0 HG21 THR A 28 0.212 -14.604 13.537 1.00 15.00 H new ATOM 0 HG22 THR A 28 -1.304 -15.337 12.961 1.00 15.00 H new ATOM 0 HG23 THR A 28 0.045 -15.076 11.829 1.00 15.00 H new ATOM 403 N SER A 29 -2.702 -11.025 11.667 1.00 15.00 N ATOM 404 CA SER A 29 -3.652 -9.948 11.919 1.00 15.00 C ATOM 405 C SER A 29 -4.475 -9.640 10.672 1.00 15.00 C ATOM 406 O SER A 29 -5.651 -9.288 10.765 1.00 15.00 O ATOM 407 CB SER A 29 -2.916 -8.689 12.380 1.00 15.00 C ATOM 408 OG SER A 29 -2.787 -8.660 13.791 1.00 15.00 O ATOM 0 H SER A 29 -1.724 -10.736 11.679 1.00 15.00 H new ATOM 0 HA SER A 29 -4.330 -10.276 12.707 1.00 15.00 H new ATOM 0 HB2 SER A 29 -1.928 -8.653 11.921 1.00 15.00 H new ATOM 0 HB3 SER A 29 -3.456 -7.804 12.043 1.00 15.00 H new ATOM 0 HG SER A 29 -2.312 -7.846 14.059 1.00 15.00 H new ATOM 414 N VAL A 30 -3.851 -9.774 9.507 1.00 15.00 N ATOM 415 CA VAL A 30 -4.528 -9.508 8.244 1.00 15.00 C ATOM 416 C VAL A 30 -5.286 -10.739 7.755 1.00 15.00 C ATOM 417 O VAL A 30 -5.362 -11.751 8.452 1.00 15.00 O ATOM 418 CB VAL A 30 -3.531 -9.057 7.157 1.00 15.00 C ATOM 419 CG1 VAL A 30 -2.760 -7.831 7.619 1.00 15.00 C ATOM 420 CG2 VAL A 30 -2.578 -10.187 6.796 1.00 15.00 C ATOM 0 H VAL A 30 -2.878 -10.065 9.411 1.00 15.00 H new ATOM 0 HA VAL A 30 -5.239 -8.702 8.427 1.00 15.00 H new ATOM 0 HB VAL A 30 -4.095 -8.792 6.263 1.00 15.00 H new ATOM 0 HG11 VAL A 30 -2.061 -7.526 6.840 1.00 15.00 H new ATOM 0 HG12 VAL A 30 -3.457 -7.017 7.820 1.00 15.00 H new ATOM 0 HG13 VAL A 30 -2.209 -8.069 8.528 1.00 15.00 H new ATOM 0 HG21 VAL A 30 -1.884 -9.846 6.028 1.00 15.00 H new ATOM 0 HG22 VAL A 30 -2.019 -10.489 7.682 1.00 15.00 H new ATOM 0 HG23 VAL A 30 -3.147 -11.037 6.419 1.00 15.00 H new ATOM 430 N ARG A 31 -5.845 -10.646 6.553 1.00 15.00 N ATOM 431 CA ARG A 31 -6.597 -11.751 5.971 1.00 15.00 C ATOM 432 C ARG A 31 -5.736 -13.006 5.870 1.00 15.00 C ATOM 433 O ARG A 31 -6.048 -14.035 6.469 1.00 15.00 O ATOM 434 CB ARG A 31 -7.120 -11.366 4.586 1.00 15.00 C ATOM 435 CG ARG A 31 -7.840 -10.027 4.559 1.00 15.00 C ATOM 436 CD ARG A 31 -9.159 -10.116 3.807 1.00 15.00 C ATOM 437 NE ARG A 31 -10.191 -10.790 4.592 1.00 15.00 N ATOM 438 CZ ARG A 31 -11.295 -11.315 4.067 1.00 15.00 C ATOM 439 NH1 ARG A 31 -11.514 -11.246 2.760 1.00 15.00 N ATOM 440 NH2 ARG A 31 -12.183 -11.911 4.852 1.00 15.00 N ATOM 0 H ARG A 31 -5.791 -9.816 5.963 1.00 15.00 H new ATOM 0 HA ARG A 31 -7.442 -11.965 6.626 1.00 15.00 H new ATOM 0 HB2 ARG A 31 -6.284 -11.334 3.887 1.00 15.00 H new ATOM 0 HB3 ARG A 31 -7.800 -12.142 4.235 1.00 15.00 H new ATOM 0 HG2 ARG A 31 -8.024 -9.692 5.580 1.00 15.00 H new ATOM 0 HG3 ARG A 31 -7.202 -9.279 4.088 1.00 15.00 H new ATOM 0 HD2 ARG A 31 -9.497 -9.113 3.548 1.00 15.00 H new ATOM 0 HD3 ARG A 31 -9.007 -10.653 2.870 1.00 15.00 H new ATOM 0 HE ARG A 31 -10.057 -10.862 5.601 1.00 15.00 H new ATOM 0 HH11 ARG A 31 -10.834 -10.789 2.152 1.00 15.00 H new ATOM 0 HH12 ARG A 31 -12.362 -11.650 2.363 1.00 15.00 H new ATOM 0 HH21 ARG A 31 -12.019 -11.966 5.857 1.00 15.00 H new ATOM 0 HH22 ARG A 31 -13.030 -12.314 4.450 1.00 15.00 H new ATOM 454 N HIS A 32 -4.651 -12.915 5.107 1.00 15.00 N ATOM 455 CA HIS A 32 -3.746 -14.045 4.928 1.00 15.00 C ATOM 456 C HIS A 32 -2.296 -13.578 4.853 1.00 15.00 C ATOM 457 O HIS A 32 -1.416 -14.152 5.489 1.00 15.00 O ATOM 458 CB HIS A 32 -4.110 -14.821 3.661 1.00 15.00 C ATOM 459 CG HIS A 32 -4.391 -13.944 2.480 1.00 15.00 C ATOM 460 ND1 HIS A 32 -5.656 -13.503 2.153 1.00 15.00 N ATOM 461 CD2 HIS A 32 -3.560 -13.425 1.545 1.00 15.00 C ATOM 462 CE1 HIS A 32 -5.592 -12.752 1.068 1.00 15.00 C ATOM 463 NE2 HIS A 32 -4.332 -12.688 0.680 1.00 15.00 N ATOM 0 H HIS A 32 -4.377 -12.071 4.603 1.00 15.00 H new ATOM 0 HA HIS A 32 -3.852 -14.701 5.792 1.00 15.00 H new ATOM 0 HB2 HIS A 32 -3.293 -15.499 3.413 1.00 15.00 H new ATOM 0 HB3 HIS A 32 -4.986 -15.437 3.862 1.00 15.00 H new ATOM 0 HD2 HIS A 32 -2.490 -13.564 1.490 1.00 15.00 H new ATOM 0 HE1 HIS A 32 -6.428 -12.272 0.581 1.00 15.00 H new ATOM 0 HE2 HIS A 32 -3.987 -12.174 -0.131 1.00 15.00 H new ATOM 472 N GLY A 33 -2.056 -12.534 4.067 1.00 15.00 N ATOM 473 CA GLY A 33 -0.711 -12.006 3.918 1.00 15.00 C ATOM 474 C GLY A 33 -0.688 -10.672 3.197 1.00 15.00 C ATOM 475 O GLY A 33 0.319 -10.302 2.595 1.00 15.00 O ATOM 0 H GLY A 33 -2.770 -12.043 3.529 1.00 15.00 H new ATOM 0 HA2 GLY A 33 -0.258 -11.891 4.903 1.00 15.00 H new ATOM 0 HA3 GLY A 33 -0.101 -12.723 3.368 1.00 15.00 H new ATOM 479 N GLY A 34 -1.794 -9.938 3.276 1.00 15.00 N ATOM 480 CA GLY A 34 -1.864 -8.638 2.644 1.00 15.00 C ATOM 481 C GLY A 34 -1.427 -7.560 3.603 1.00 15.00 C ATOM 482 O GLY A 34 -1.566 -7.722 4.816 1.00 15.00 O ATOM 0 H GLY A 34 -2.642 -10.223 3.767 1.00 15.00 H new ATOM 0 HA2 GLY A 34 -1.230 -8.623 1.758 1.00 15.00 H new ATOM 0 HA3 GLY A 34 -2.883 -8.444 2.310 1.00 15.00 H new ATOM 486 N ILE A 35 -0.882 -6.466 3.090 1.00 15.00 N ATOM 487 CA ILE A 35 -0.425 -5.403 3.970 1.00 15.00 C ATOM 488 C ILE A 35 -1.475 -4.322 4.159 1.00 15.00 C ATOM 489 O ILE A 35 -2.320 -4.086 3.296 1.00 15.00 O ATOM 490 CB ILE A 35 0.903 -4.775 3.488 1.00 15.00 C ATOM 491 CG1 ILE A 35 1.907 -4.755 4.648 1.00 15.00 C ATOM 492 CG2 ILE A 35 0.688 -3.374 2.918 1.00 15.00 C ATOM 493 CD1 ILE A 35 3.000 -3.718 4.513 1.00 15.00 C ATOM 0 H ILE A 35 -0.748 -6.294 2.094 1.00 15.00 H new ATOM 0 HA ILE A 35 -0.246 -5.874 4.936 1.00 15.00 H new ATOM 0 HB ILE A 35 1.305 -5.385 2.679 1.00 15.00 H new ATOM 0 HG12 ILE A 35 1.366 -4.576 5.577 1.00 15.00 H new ATOM 0 HG13 ILE A 35 2.366 -5.740 4.732 1.00 15.00 H new ATOM 0 HG21 ILE A 35 1.643 -2.964 2.589 1.00 15.00 H new ATOM 0 HG22 ILE A 35 0.005 -3.427 2.070 1.00 15.00 H new ATOM 0 HG23 ILE A 35 0.262 -2.730 3.687 1.00 15.00 H new ATOM 0 HD11 ILE A 35 3.664 -3.774 5.376 1.00 15.00 H new ATOM 0 HD12 ILE A 35 3.570 -3.907 3.604 1.00 15.00 H new ATOM 0 HD13 ILE A 35 2.555 -2.724 4.462 1.00 15.00 H new ATOM 505 N TYR A 36 -1.392 -3.667 5.304 1.00 15.00 N ATOM 506 CA TYR A 36 -2.303 -2.591 5.654 1.00 15.00 C ATOM 507 C TYR A 36 -1.513 -1.432 6.238 1.00 15.00 C ATOM 508 O TYR A 36 -1.004 -1.516 7.355 1.00 15.00 O ATOM 509 CB TYR A 36 -3.348 -3.082 6.656 1.00 15.00 C ATOM 510 CG TYR A 36 -4.328 -4.074 6.072 1.00 15.00 C ATOM 511 CD1 TYR A 36 -3.919 -5.348 5.691 1.00 15.00 C ATOM 512 CD2 TYR A 36 -5.665 -3.736 5.901 1.00 15.00 C ATOM 513 CE1 TYR A 36 -4.815 -6.253 5.158 1.00 15.00 C ATOM 514 CE2 TYR A 36 -6.566 -4.638 5.368 1.00 15.00 C ATOM 515 CZ TYR A 36 -6.137 -5.894 4.999 1.00 15.00 C ATOM 516 OH TYR A 36 -7.032 -6.795 4.469 1.00 15.00 O ATOM 0 H TYR A 36 -0.691 -3.866 6.018 1.00 15.00 H new ATOM 0 HA TYR A 36 -2.823 -2.255 4.757 1.00 15.00 H new ATOM 0 HB2 TYR A 36 -2.839 -3.543 7.503 1.00 15.00 H new ATOM 0 HB3 TYR A 36 -3.899 -2.225 7.043 1.00 15.00 H new ATOM 0 HD1 TYR A 36 -2.885 -5.633 5.814 1.00 15.00 H new ATOM 0 HD2 TYR A 36 -6.005 -2.752 6.189 1.00 15.00 H new ATOM 0 HE1 TYR A 36 -4.482 -7.238 4.867 1.00 15.00 H new ATOM 0 HE2 TYR A 36 -7.602 -4.360 5.241 1.00 15.00 H new ATOM 0 HH TYR A 36 -7.921 -6.385 4.425 1.00 15.00 H new ATOM 526 N VAL A 37 -1.390 -0.363 5.466 1.00 15.00 N ATOM 527 CA VAL A 37 -0.627 0.801 5.907 1.00 15.00 C ATOM 528 C VAL A 37 -1.131 1.323 7.247 1.00 15.00 C ATOM 529 O VAL A 37 -2.316 1.233 7.557 1.00 15.00 O ATOM 530 CB VAL A 37 -0.633 1.958 4.864 1.00 15.00 C ATOM 531 CG1 VAL A 37 -0.808 1.446 3.448 1.00 15.00 C ATOM 532 CG2 VAL A 37 -1.691 3.005 5.160 1.00 15.00 C ATOM 0 H VAL A 37 -1.804 -0.274 4.538 1.00 15.00 H new ATOM 0 HA VAL A 37 0.401 0.456 6.018 1.00 15.00 H new ATOM 0 HB VAL A 37 0.346 2.431 4.948 1.00 15.00 H new ATOM 0 HG11 VAL A 37 -0.806 2.287 2.754 1.00 15.00 H new ATOM 0 HG12 VAL A 37 0.011 0.771 3.202 1.00 15.00 H new ATOM 0 HG13 VAL A 37 -1.755 0.912 3.369 1.00 15.00 H new ATOM 0 HG21 VAL A 37 -1.651 3.787 4.402 1.00 15.00 H new ATOM 0 HG22 VAL A 37 -2.677 2.540 5.149 1.00 15.00 H new ATOM 0 HG23 VAL A 37 -1.507 3.441 6.142 1.00 15.00 H new ATOM 542 N LYS A 38 -0.226 1.898 8.025 1.00 15.00 N ATOM 543 CA LYS A 38 -0.593 2.467 9.309 1.00 15.00 C ATOM 544 C LYS A 38 -1.182 3.851 9.078 1.00 15.00 C ATOM 545 O LYS A 38 -2.250 4.177 9.593 1.00 15.00 O ATOM 546 CB LYS A 38 0.620 2.544 10.243 1.00 15.00 C ATOM 547 CG LYS A 38 0.336 3.252 11.559 1.00 15.00 C ATOM 548 CD LYS A 38 -0.421 2.353 12.523 1.00 15.00 C ATOM 549 CE LYS A 38 -1.925 2.542 12.402 1.00 15.00 C ATOM 550 NZ LYS A 38 -2.618 1.272 12.048 1.00 15.00 N ATOM 0 H LYS A 38 0.763 1.982 7.789 1.00 15.00 H new ATOM 0 HA LYS A 38 -1.333 1.828 9.790 1.00 15.00 H new ATOM 0 HB2 LYS A 38 0.970 1.533 10.453 1.00 15.00 H new ATOM 0 HB3 LYS A 38 1.430 3.062 9.730 1.00 15.00 H new ATOM 0 HG2 LYS A 38 1.275 3.566 12.014 1.00 15.00 H new ATOM 0 HG3 LYS A 38 -0.245 4.155 11.370 1.00 15.00 H new ATOM 0 HD2 LYS A 38 -0.168 1.311 12.325 1.00 15.00 H new ATOM 0 HD3 LYS A 38 -0.108 2.569 13.545 1.00 15.00 H new ATOM 0 HE2 LYS A 38 -2.320 2.921 13.345 1.00 15.00 H new ATOM 0 HE3 LYS A 38 -2.136 3.295 11.642 1.00 15.00 H new ATOM 0 HZ1 LYS A 38 -3.465 1.484 11.483 1.00 15.00 H new ATOM 0 HZ2 LYS A 38 -1.976 0.669 11.496 1.00 15.00 H new ATOM 0 HZ3 LYS A 38 -2.898 0.775 12.918 1.00 15.00 H new ATOM 564 N ALA A 39 -0.483 4.651 8.273 1.00 15.00 N ATOM 565 CA ALA A 39 -0.940 5.989 7.936 1.00 15.00 C ATOM 566 C ALA A 39 -0.051 6.593 6.862 1.00 15.00 C ATOM 567 O ALA A 39 0.996 6.039 6.537 1.00 15.00 O ATOM 568 CB ALA A 39 -0.985 6.868 9.170 1.00 15.00 C ATOM 0 H ALA A 39 0.404 4.390 7.843 1.00 15.00 H new ATOM 0 HA ALA A 39 -1.954 5.923 7.541 1.00 15.00 H new ATOM 0 HB1 ALA A 39 -1.330 7.865 8.894 1.00 15.00 H new ATOM 0 HB2 ALA A 39 -1.670 6.436 9.900 1.00 15.00 H new ATOM 0 HB3 ALA A 39 0.012 6.936 9.605 1.00 15.00 H new ATOM 574 N VAL A 40 -0.460 7.734 6.322 1.00 15.00 N ATOM 575 CA VAL A 40 0.324 8.404 5.288 1.00 15.00 C ATOM 576 C VAL A 40 1.185 9.500 5.903 1.00 15.00 C ATOM 577 O VAL A 40 0.675 10.501 6.406 1.00 15.00 O ATOM 578 CB VAL A 40 -0.561 9.009 4.174 1.00 15.00 C ATOM 579 CG1 VAL A 40 -0.549 8.119 2.942 1.00 15.00 C ATOM 580 CG2 VAL A 40 -1.983 9.225 4.661 1.00 15.00 C ATOM 0 H VAL A 40 -1.323 8.213 6.579 1.00 15.00 H new ATOM 0 HA VAL A 40 0.958 7.644 4.832 1.00 15.00 H new ATOM 0 HB VAL A 40 -0.146 9.981 3.905 1.00 15.00 H new ATOM 0 HG11 VAL A 40 -1.177 8.560 2.168 1.00 15.00 H new ATOM 0 HG12 VAL A 40 0.472 8.025 2.571 1.00 15.00 H new ATOM 0 HG13 VAL A 40 -0.933 7.133 3.202 1.00 15.00 H new ATOM 0 HG21 VAL A 40 -2.582 9.651 3.857 1.00 15.00 H new ATOM 0 HG22 VAL A 40 -2.412 8.271 4.966 1.00 15.00 H new ATOM 0 HG23 VAL A 40 -1.977 9.908 5.510 1.00 15.00 H new ATOM 590 N ILE A 41 2.496 9.283 5.884 1.00 15.00 N ATOM 591 CA ILE A 41 3.442 10.227 6.466 1.00 15.00 C ATOM 592 C ILE A 41 3.696 11.427 5.555 1.00 15.00 C ATOM 593 O ILE A 41 4.342 11.301 4.513 1.00 15.00 O ATOM 594 CB ILE A 41 4.776 9.517 6.823 1.00 15.00 C ATOM 595 CG1 ILE A 41 4.587 8.520 7.980 1.00 15.00 C ATOM 596 CG2 ILE A 41 5.858 10.523 7.180 1.00 15.00 C ATOM 597 CD1 ILE A 41 3.195 7.930 8.089 1.00 15.00 C ATOM 0 H ILE A 41 2.929 8.457 5.470 1.00 15.00 H new ATOM 0 HA ILE A 41 2.992 10.609 7.382 1.00 15.00 H new ATOM 0 HB ILE A 41 5.092 8.966 5.937 1.00 15.00 H new ATOM 0 HG12 ILE A 41 5.303 7.707 7.861 1.00 15.00 H new ATOM 0 HG13 ILE A 41 4.828 9.022 8.917 1.00 15.00 H new ATOM 0 HG21 ILE A 41 6.779 9.995 7.425 1.00 15.00 H new ATOM 0 HG22 ILE A 41 6.034 11.185 6.332 1.00 15.00 H new ATOM 0 HG23 ILE A 41 5.538 11.112 8.040 1.00 15.00 H new ATOM 0 HD11 ILE A 41 3.157 7.240 8.932 1.00 15.00 H new ATOM 0 HD12 ILE A 41 2.472 8.731 8.243 1.00 15.00 H new ATOM 0 HD13 ILE A 41 2.954 7.395 7.171 1.00 15.00 H new ATOM 609 N PRO A 42 3.186 12.619 5.952 1.00 15.00 N ATOM 610 CA PRO A 42 3.347 13.860 5.181 1.00 15.00 C ATOM 611 C PRO A 42 4.801 14.284 5.054 1.00 15.00 C ATOM 612 O PRO A 42 5.210 15.326 5.567 1.00 15.00 O ATOM 613 CB PRO A 42 2.553 14.898 5.980 1.00 15.00 C ATOM 614 CG PRO A 42 2.457 14.336 7.355 1.00 15.00 C ATOM 615 CD PRO A 42 2.411 12.845 7.187 1.00 15.00 C ATOM 0 HA PRO A 42 2.997 13.740 4.156 1.00 15.00 H new ATOM 0 HB2 PRO A 42 3.058 15.864 5.983 1.00 15.00 H new ATOM 0 HB3 PRO A 42 1.565 15.056 5.549 1.00 15.00 H new ATOM 0 HG2 PRO A 42 3.313 14.635 7.960 1.00 15.00 H new ATOM 0 HG3 PRO A 42 1.564 14.700 7.864 1.00 15.00 H new ATOM 0 HD2 PRO A 42 2.854 12.330 8.040 1.00 15.00 H new ATOM 0 HD3 PRO A 42 1.388 12.482 7.092 1.00 15.00 H new ATOM 623 N GLN A 43 5.570 13.468 4.356 1.00 15.00 N ATOM 624 CA GLN A 43 6.978 13.735 4.131 1.00 15.00 C ATOM 625 C GLN A 43 7.382 13.190 2.771 1.00 15.00 C ATOM 626 O GLN A 43 7.928 13.908 1.934 1.00 15.00 O ATOM 627 CB GLN A 43 7.825 13.097 5.236 1.00 15.00 C ATOM 628 CG GLN A 43 9.319 13.137 4.963 1.00 15.00 C ATOM 629 CD GLN A 43 10.146 12.889 6.208 1.00 15.00 C ATOM 630 OE1 GLN A 43 9.616 12.525 7.258 1.00 15.00 O ATOM 631 NE2 GLN A 43 11.455 13.086 6.098 1.00 15.00 N ATOM 0 H GLN A 43 5.236 12.603 3.930 1.00 15.00 H new ATOM 0 HA GLN A 43 7.148 14.811 4.151 1.00 15.00 H new ATOM 0 HB2 GLN A 43 7.623 13.609 6.177 1.00 15.00 H new ATOM 0 HB3 GLN A 43 7.516 12.060 5.365 1.00 15.00 H new ATOM 0 HG2 GLN A 43 9.567 12.388 4.211 1.00 15.00 H new ATOM 0 HG3 GLN A 43 9.582 14.108 4.544 1.00 15.00 H new ATOM 0 HE21 GLN A 43 11.852 13.388 5.208 1.00 15.00 H new ATOM 0 HE22 GLN A 43 12.063 12.935 6.903 1.00 15.00 H new ATOM 640 N GLY A 44 7.090 11.913 2.557 1.00 15.00 N ATOM 641 CA GLY A 44 7.408 11.285 1.294 1.00 15.00 C ATOM 642 C GLY A 44 6.300 11.445 0.270 1.00 15.00 C ATOM 643 O GLY A 44 5.131 11.662 0.622 1.00 15.00 O ATOM 0 H GLY A 44 6.638 11.303 3.238 1.00 15.00 H new ATOM 0 HA2 GLY A 44 8.328 11.716 0.899 1.00 15.00 H new ATOM 0 HA3 GLY A 44 7.597 10.224 1.457 1.00 15.00 H new ATOM 647 N ALA A 45 6.681 11.329 -1.000 1.00 15.00 N ATOM 648 CA ALA A 45 5.761 11.459 -2.134 1.00 15.00 C ATOM 649 C ALA A 45 4.417 10.767 -1.911 1.00 15.00 C ATOM 650 O ALA A 45 3.456 11.037 -2.631 1.00 15.00 O ATOM 651 CB ALA A 45 6.416 10.913 -3.392 1.00 15.00 C ATOM 0 H ALA A 45 7.645 11.141 -1.276 1.00 15.00 H new ATOM 0 HA ALA A 45 5.550 12.523 -2.242 1.00 15.00 H new ATOM 0 HB1 ALA A 45 5.729 11.012 -4.232 1.00 15.00 H new ATOM 0 HB2 ALA A 45 7.327 11.474 -3.601 1.00 15.00 H new ATOM 0 HB3 ALA A 45 6.663 9.861 -3.247 1.00 15.00 H new ATOM 657 N ALA A 46 4.342 9.873 -0.933 1.00 15.00 N ATOM 658 CA ALA A 46 3.102 9.165 -0.667 1.00 15.00 C ATOM 659 C ALA A 46 2.063 10.090 -0.045 1.00 15.00 C ATOM 660 O ALA A 46 1.087 10.458 -0.701 1.00 15.00 O ATOM 661 CB ALA A 46 3.358 7.973 0.239 1.00 15.00 C ATOM 0 H ALA A 46 5.117 9.625 -0.318 1.00 15.00 H new ATOM 0 HA ALA A 46 2.708 8.806 -1.618 1.00 15.00 H new ATOM 0 HB1 ALA A 46 2.419 7.452 0.429 1.00 15.00 H new ATOM 0 HB2 ALA A 46 4.059 7.292 -0.244 1.00 15.00 H new ATOM 0 HB3 ALA A 46 3.780 8.318 1.183 1.00 15.00 H new ATOM 667 N GLU A 47 2.270 10.476 1.214 1.00 15.00 N ATOM 668 CA GLU A 47 1.331 11.374 1.884 1.00 15.00 C ATOM 669 C GLU A 47 1.207 12.683 1.111 1.00 15.00 C ATOM 670 O GLU A 47 0.113 13.225 0.955 1.00 15.00 O ATOM 671 CB GLU A 47 1.717 11.624 3.352 1.00 15.00 C ATOM 672 CG GLU A 47 0.818 12.636 4.052 1.00 15.00 C ATOM 673 CD GLU A 47 -0.657 12.306 3.924 1.00 15.00 C ATOM 674 OE1 GLU A 47 -1.149 12.208 2.781 1.00 15.00 O ATOM 675 OE2 GLU A 47 -1.321 12.146 4.970 1.00 15.00 O ATOM 0 H GLU A 47 3.066 10.187 1.782 1.00 15.00 H new ATOM 0 HA GLU A 47 0.356 10.886 1.897 1.00 15.00 H new ATOM 0 HB2 GLU A 47 1.680 10.680 3.895 1.00 15.00 H new ATOM 0 HB3 GLU A 47 2.748 11.975 3.394 1.00 15.00 H new ATOM 0 HG2 GLU A 47 1.084 12.681 5.108 1.00 15.00 H new ATOM 0 HG3 GLU A 47 1.001 13.626 3.635 1.00 15.00 H new ATOM 682 N SER A 48 2.339 13.177 0.616 1.00 15.00 N ATOM 683 CA SER A 48 2.361 14.415 -0.155 1.00 15.00 C ATOM 684 C SER A 48 1.402 14.319 -1.336 1.00 15.00 C ATOM 685 O SER A 48 0.412 15.047 -1.406 1.00 15.00 O ATOM 686 CB SER A 48 3.778 14.708 -0.653 1.00 15.00 C ATOM 687 OG SER A 48 3.930 16.077 -0.984 1.00 15.00 O ATOM 0 H SER A 48 3.252 12.739 0.735 1.00 15.00 H new ATOM 0 HA SER A 48 2.042 15.231 0.493 1.00 15.00 H new ATOM 0 HB2 SER A 48 4.501 14.434 0.116 1.00 15.00 H new ATOM 0 HB3 SER A 48 3.994 14.093 -1.527 1.00 15.00 H new ATOM 0 HG SER A 48 4.844 16.238 -1.298 1.00 15.00 H new ATOM 693 N ASP A 49 1.694 13.402 -2.254 1.00 15.00 N ATOM 694 CA ASP A 49 0.845 13.198 -3.419 1.00 15.00 C ATOM 695 C ASP A 49 -0.538 12.738 -2.978 1.00 15.00 C ATOM 696 O ASP A 49 -1.555 13.153 -3.535 1.00 15.00 O ATOM 697 CB ASP A 49 1.465 12.164 -4.359 1.00 15.00 C ATOM 698 CG ASP A 49 1.038 12.365 -5.800 1.00 15.00 C ATOM 699 OD1 ASP A 49 -0.166 12.600 -6.035 1.00 15.00 O ATOM 700 OD2 ASP A 49 1.907 12.287 -6.694 1.00 15.00 O ATOM 0 H ASP A 49 2.510 12.791 -2.212 1.00 15.00 H new ATOM 0 HA ASP A 49 0.754 14.143 -3.954 1.00 15.00 H new ATOM 0 HB2 ASP A 49 2.551 12.222 -4.293 1.00 15.00 H new ATOM 0 HB3 ASP A 49 1.179 11.164 -4.034 1.00 15.00 H new ATOM 705 N GLY A 50 -0.561 11.882 -1.962 1.00 15.00 N ATOM 706 CA GLY A 50 -1.812 11.374 -1.438 1.00 15.00 C ATOM 707 C GLY A 50 -2.363 10.222 -2.256 1.00 15.00 C ATOM 708 O GLY A 50 -3.576 10.105 -2.432 1.00 15.00 O ATOM 0 H GLY A 50 0.272 11.530 -1.490 1.00 15.00 H new ATOM 0 HA2 GLY A 50 -1.664 11.046 -0.409 1.00 15.00 H new ATOM 0 HA3 GLY A 50 -2.545 12.180 -1.413 1.00 15.00 H new ATOM 712 N ARG A 51 -1.475 9.368 -2.757 1.00 15.00 N ATOM 713 CA ARG A 51 -1.896 8.221 -3.557 1.00 15.00 C ATOM 714 C ARG A 51 -2.293 7.057 -2.658 1.00 15.00 C ATOM 715 O ARG A 51 -3.392 6.514 -2.774 1.00 15.00 O ATOM 716 CB ARG A 51 -0.783 7.787 -4.515 1.00 15.00 C ATOM 717 CG ARG A 51 -0.870 8.444 -5.882 1.00 15.00 C ATOM 718 CD ARG A 51 -2.003 7.857 -6.708 1.00 15.00 C ATOM 719 NE ARG A 51 -2.737 8.884 -7.445 1.00 15.00 N ATOM 720 CZ ARG A 51 -2.381 9.335 -8.646 1.00 15.00 C ATOM 721 NH1 ARG A 51 -1.296 8.863 -9.247 1.00 15.00 N ATOM 722 NH2 ARG A 51 -3.113 10.263 -9.248 1.00 15.00 N ATOM 0 H ARG A 51 -0.467 9.447 -2.625 1.00 15.00 H new ATOM 0 HA ARG A 51 -2.763 8.522 -4.145 1.00 15.00 H new ATOM 0 HB2 ARG A 51 0.183 8.023 -4.068 1.00 15.00 H new ATOM 0 HB3 ARG A 51 -0.822 6.705 -4.638 1.00 15.00 H new ATOM 0 HG2 ARG A 51 -1.022 9.517 -5.763 1.00 15.00 H new ATOM 0 HG3 ARG A 51 0.074 8.313 -6.411 1.00 15.00 H new ATOM 0 HD2 ARG A 51 -1.599 7.127 -7.410 1.00 15.00 H new ATOM 0 HD3 ARG A 51 -2.690 7.322 -6.052 1.00 15.00 H new ATOM 0 HE ARG A 51 -3.572 9.279 -7.013 1.00 15.00 H new ATOM 0 HH11 ARG A 51 -0.729 8.150 -8.789 1.00 15.00 H new ATOM 0 HH12 ARG A 51 -1.029 9.213 -10.167 1.00 15.00 H new ATOM 0 HH21 ARG A 51 -3.948 10.630 -8.791 1.00 15.00 H new ATOM 0 HH22 ARG A 51 -2.841 10.609 -10.168 1.00 15.00 H new ATOM 736 N ILE A 52 -1.393 6.685 -1.758 1.00 15.00 N ATOM 737 CA ILE A 52 -1.640 5.596 -0.829 1.00 15.00 C ATOM 738 C ILE A 52 -2.481 6.089 0.351 1.00 15.00 C ATOM 739 O ILE A 52 -2.528 7.289 0.622 1.00 15.00 O ATOM 740 CB ILE A 52 -0.304 5.010 -0.335 1.00 15.00 C ATOM 741 CG1 ILE A 52 -0.535 3.711 0.426 1.00 15.00 C ATOM 742 CG2 ILE A 52 0.440 6.020 0.524 1.00 15.00 C ATOM 743 CD1 ILE A 52 -1.104 2.608 -0.429 1.00 15.00 C ATOM 0 H ILE A 52 -0.479 7.126 -1.653 1.00 15.00 H new ATOM 0 HA ILE A 52 -2.194 4.811 -1.343 1.00 15.00 H new ATOM 0 HB ILE A 52 0.315 4.786 -1.204 1.00 15.00 H new ATOM 0 HG12 ILE A 52 0.410 3.377 0.855 1.00 15.00 H new ATOM 0 HG13 ILE A 52 -1.213 3.902 1.258 1.00 15.00 H new ATOM 0 HG21 ILE A 52 1.381 5.586 0.863 1.00 15.00 H new ATOM 0 HG22 ILE A 52 0.644 6.916 -0.062 1.00 15.00 H new ATOM 0 HG23 ILE A 52 -0.170 6.283 1.388 1.00 15.00 H new ATOM 0 HD11 ILE A 52 -1.243 1.713 0.177 1.00 15.00 H new ATOM 0 HD12 ILE A 52 -2.065 2.923 -0.837 1.00 15.00 H new ATOM 0 HD13 ILE A 52 -0.417 2.390 -1.246 1.00 15.00 H new ATOM 755 N HIS A 53 -3.168 5.175 1.038 1.00 15.00 N ATOM 756 CA HIS A 53 -4.021 5.566 2.160 1.00 15.00 C ATOM 757 C HIS A 53 -3.940 4.606 3.332 1.00 15.00 C ATOM 758 O HIS A 53 -3.506 3.463 3.205 1.00 15.00 O ATOM 759 CB HIS A 53 -5.473 5.702 1.699 1.00 15.00 C ATOM 760 CG HIS A 53 -5.644 6.616 0.526 1.00 15.00 C ATOM 761 ND1 HIS A 53 -5.671 6.171 -0.779 1.00 15.00 N ATOM 762 CD2 HIS A 53 -5.799 7.961 0.466 1.00 15.00 C ATOM 763 CE1 HIS A 53 -5.834 7.200 -1.590 1.00 15.00 C ATOM 764 NE2 HIS A 53 -5.915 8.297 -0.860 1.00 15.00 N ATOM 0 H HIS A 53 -3.152 4.174 0.841 1.00 15.00 H new ATOM 0 HA HIS A 53 -3.650 6.529 2.511 1.00 15.00 H new ATOM 0 HB2 HIS A 53 -5.858 4.716 1.440 1.00 15.00 H new ATOM 0 HB3 HIS A 53 -6.076 6.071 2.528 1.00 15.00 H new ATOM 0 HD2 HIS A 53 -5.826 8.641 1.304 1.00 15.00 H new ATOM 0 HE1 HIS A 53 -5.891 7.152 -2.667 1.00 15.00 H new ATOM 0 HE2 HIS A 53 -6.043 9.242 -1.223 1.00 15.00 H new ATOM 773 N LYS A 54 -4.356 5.126 4.481 1.00 15.00 N ATOM 774 CA LYS A 54 -4.347 4.401 5.740 1.00 15.00 C ATOM 775 C LYS A 54 -4.894 2.977 5.607 1.00 15.00 C ATOM 776 O LYS A 54 -5.931 2.754 4.982 1.00 15.00 O ATOM 777 CB LYS A 54 -5.168 5.168 6.781 1.00 15.00 C ATOM 778 CG LYS A 54 -4.353 5.656 7.963 1.00 15.00 C ATOM 779 CD LYS A 54 -5.200 5.755 9.222 1.00 15.00 C ATOM 780 CE LYS A 54 -5.276 4.421 9.947 1.00 15.00 C ATOM 781 NZ LYS A 54 -5.200 4.587 11.425 1.00 15.00 N ATOM 0 H LYS A 54 -4.714 6.078 4.562 1.00 15.00 H new ATOM 0 HA LYS A 54 -3.307 4.320 6.057 1.00 15.00 H new ATOM 0 HB2 LYS A 54 -5.641 6.024 6.299 1.00 15.00 H new ATOM 0 HB3 LYS A 54 -5.969 4.524 7.145 1.00 15.00 H new ATOM 0 HG2 LYS A 54 -3.519 4.976 8.137 1.00 15.00 H new ATOM 0 HG3 LYS A 54 -3.926 6.632 7.733 1.00 15.00 H new ATOM 0 HD2 LYS A 54 -4.779 6.509 9.887 1.00 15.00 H new ATOM 0 HD3 LYS A 54 -6.205 6.086 8.961 1.00 15.00 H new ATOM 0 HE2 LYS A 54 -6.207 3.918 9.686 1.00 15.00 H new ATOM 0 HE3 LYS A 54 -4.462 3.779 9.611 1.00 15.00 H new ATOM 0 HZ1 LYS A 54 -5.255 3.655 11.882 1.00 15.00 H new ATOM 0 HZ2 LYS A 54 -4.300 5.044 11.677 1.00 15.00 H new ATOM 0 HZ3 LYS A 54 -5.991 5.179 11.749 1.00 15.00 H new ATOM 795 N GLY A 55 -4.191 2.020 6.217 1.00 15.00 N ATOM 796 CA GLY A 55 -4.617 0.630 6.180 1.00 15.00 C ATOM 797 C GLY A 55 -4.941 0.145 4.784 1.00 15.00 C ATOM 798 O GLY A 55 -5.821 -0.697 4.604 1.00 15.00 O ATOM 0 H GLY A 55 -3.330 2.186 6.738 1.00 15.00 H new ATOM 0 HA2 GLY A 55 -3.831 0.004 6.602 1.00 15.00 H new ATOM 0 HA3 GLY A 55 -5.496 0.509 6.813 1.00 15.00 H new ATOM 802 N ASP A 56 -4.233 0.669 3.793 1.00 15.00 N ATOM 803 CA ASP A 56 -4.464 0.266 2.413 1.00 15.00 C ATOM 804 C ASP A 56 -4.090 -1.197 2.206 1.00 15.00 C ATOM 805 O ASP A 56 -3.002 -1.629 2.591 1.00 15.00 O ATOM 806 CB ASP A 56 -3.673 1.155 1.452 1.00 15.00 C ATOM 807 CG ASP A 56 -4.541 2.190 0.764 1.00 15.00 C ATOM 808 OD1 ASP A 56 -5.771 2.177 0.983 1.00 15.00 O ATOM 809 OD2 ASP A 56 -3.989 3.013 0.005 1.00 15.00 O ATOM 0 H ASP A 56 -3.500 1.368 3.917 1.00 15.00 H new ATOM 0 HA ASP A 56 -5.527 0.384 2.201 1.00 15.00 H new ATOM 0 HB2 ASP A 56 -2.879 1.660 2.001 1.00 15.00 H new ATOM 0 HB3 ASP A 56 -3.192 0.531 0.699 1.00 15.00 H new ATOM 814 N ARG A 57 -4.997 -1.952 1.591 1.00 15.00 N ATOM 815 CA ARG A 57 -4.764 -3.367 1.321 1.00 15.00 C ATOM 816 C ARG A 57 -3.980 -3.537 0.026 1.00 15.00 C ATOM 817 O ARG A 57 -4.561 -3.709 -1.046 1.00 15.00 O ATOM 818 CB ARG A 57 -6.095 -4.116 1.232 1.00 15.00 C ATOM 819 CG ARG A 57 -6.058 -5.498 1.860 1.00 15.00 C ATOM 820 CD ARG A 57 -5.613 -6.553 0.861 1.00 15.00 C ATOM 821 NE ARG A 57 -6.498 -7.715 0.857 1.00 15.00 N ATOM 822 CZ ARG A 57 -6.373 -8.746 1.690 1.00 15.00 C ATOM 823 NH1 ARG A 57 -5.412 -8.759 2.605 1.00 15.00 N ATOM 824 NH2 ARG A 57 -7.214 -9.767 1.610 1.00 15.00 N ATOM 0 H ARG A 57 -5.901 -1.606 1.270 1.00 15.00 H new ATOM 0 HA ARG A 57 -4.180 -3.785 2.141 1.00 15.00 H new ATOM 0 HB2 ARG A 57 -6.869 -3.524 1.721 1.00 15.00 H new ATOM 0 HB3 ARG A 57 -6.380 -4.210 0.184 1.00 15.00 H new ATOM 0 HG2 ARG A 57 -5.379 -5.493 2.712 1.00 15.00 H new ATOM 0 HG3 ARG A 57 -7.047 -5.752 2.242 1.00 15.00 H new ATOM 0 HD2 ARG A 57 -5.584 -6.117 -0.137 1.00 15.00 H new ATOM 0 HD3 ARG A 57 -4.598 -6.872 1.099 1.00 15.00 H new ATOM 0 HE ARG A 57 -7.257 -7.738 0.176 1.00 15.00 H new ATOM 0 HH11 ARG A 57 -4.763 -7.975 2.674 1.00 15.00 H new ATOM 0 HH12 ARG A 57 -5.323 -9.553 3.240 1.00 15.00 H new ATOM 0 HH21 ARG A 57 -7.956 -9.763 0.911 1.00 15.00 H new ATOM 0 HH22 ARG A 57 -7.119 -10.557 2.248 1.00 15.00 H new ATOM 838 N VAL A 58 -2.656 -3.476 0.130 1.00 15.00 N ATOM 839 CA VAL A 58 -1.793 -3.612 -1.036 1.00 15.00 C ATOM 840 C VAL A 58 -1.629 -5.078 -1.433 1.00 15.00 C ATOM 841 O VAL A 58 -1.055 -5.879 -0.689 1.00 15.00 O ATOM 842 CB VAL A 58 -0.409 -2.957 -0.793 1.00 15.00 C ATOM 843 CG1 VAL A 58 -0.561 -1.665 -0.002 1.00 15.00 C ATOM 844 CG2 VAL A 58 0.544 -3.906 -0.078 1.00 15.00 C ATOM 0 H VAL A 58 -2.159 -3.333 1.009 1.00 15.00 H new ATOM 0 HA VAL A 58 -2.275 -3.087 -1.861 1.00 15.00 H new ATOM 0 HB VAL A 58 0.021 -2.726 -1.768 1.00 15.00 H new ATOM 0 HG11 VAL A 58 0.421 -1.219 0.159 1.00 15.00 H new ATOM 0 HG12 VAL A 58 -1.189 -0.969 -0.559 1.00 15.00 H new ATOM 0 HG13 VAL A 58 -1.024 -1.880 0.961 1.00 15.00 H new ATOM 0 HG21 VAL A 58 1.503 -3.412 0.075 1.00 15.00 H new ATOM 0 HG22 VAL A 58 0.122 -4.186 0.887 1.00 15.00 H new ATOM 0 HG23 VAL A 58 0.689 -4.801 -0.684 1.00 15.00 H new ATOM 854 N LEU A 59 -2.161 -5.425 -2.604 1.00 15.00 N ATOM 855 CA LEU A 59 -2.089 -6.798 -3.098 1.00 15.00 C ATOM 856 C LEU A 59 -1.102 -6.950 -4.254 1.00 15.00 C ATOM 857 O LEU A 59 -0.764 -8.069 -4.637 1.00 15.00 O ATOM 858 CB LEU A 59 -3.473 -7.276 -3.538 1.00 15.00 C ATOM 859 CG LEU A 59 -4.527 -7.334 -2.430 1.00 15.00 C ATOM 860 CD1 LEU A 59 -5.729 -8.145 -2.886 1.00 15.00 C ATOM 861 CD2 LEU A 59 -3.934 -7.925 -1.159 1.00 15.00 C ATOM 0 H LEU A 59 -2.645 -4.777 -3.226 1.00 15.00 H new ATOM 0 HA LEU A 59 -1.729 -7.414 -2.274 1.00 15.00 H new ATOM 0 HB2 LEU A 59 -3.834 -6.615 -4.326 1.00 15.00 H new ATOM 0 HB3 LEU A 59 -3.374 -8.270 -3.975 1.00 15.00 H new ATOM 0 HG LEU A 59 -4.857 -6.318 -2.213 1.00 15.00 H new ATOM 0 HD11 LEU A 59 -6.470 -8.177 -2.087 1.00 15.00 H new ATOM 0 HD12 LEU A 59 -6.167 -7.681 -3.769 1.00 15.00 H new ATOM 0 HD13 LEU A 59 -5.413 -9.159 -3.129 1.00 15.00 H new ATOM 0 HD21 LEU A 59 -4.698 -7.958 -0.382 1.00 15.00 H new ATOM 0 HD22 LEU A 59 -3.576 -8.935 -1.360 1.00 15.00 H new ATOM 0 HD23 LEU A 59 -3.102 -7.306 -0.823 1.00 15.00 H new ATOM 873 N ALA A 60 -0.658 -5.836 -4.828 1.00 15.00 N ATOM 874 CA ALA A 60 0.267 -5.893 -5.955 1.00 15.00 C ATOM 875 C ALA A 60 1.182 -4.675 -6.015 1.00 15.00 C ATOM 876 O ALA A 60 0.789 -3.565 -5.660 1.00 15.00 O ATOM 877 CB ALA A 60 -0.511 -6.027 -7.253 1.00 15.00 C ATOM 0 H ALA A 60 -0.919 -4.894 -4.536 1.00 15.00 H new ATOM 0 HA ALA A 60 0.903 -6.767 -5.814 1.00 15.00 H new ATOM 0 HB1 ALA A 60 0.184 -6.069 -8.091 1.00 15.00 H new ATOM 0 HB2 ALA A 60 -1.105 -6.940 -7.228 1.00 15.00 H new ATOM 0 HB3 ALA A 60 -1.171 -5.168 -7.372 1.00 15.00 H new ATOM 883 N VAL A 61 2.402 -4.899 -6.494 1.00 15.00 N ATOM 884 CA VAL A 61 3.392 -3.838 -6.642 1.00 15.00 C ATOM 885 C VAL A 61 4.122 -4.022 -7.960 1.00 15.00 C ATOM 886 O VAL A 61 4.972 -4.902 -8.091 1.00 15.00 O ATOM 887 CB VAL A 61 4.420 -3.834 -5.491 1.00 15.00 C ATOM 888 CG1 VAL A 61 5.415 -2.697 -5.667 1.00 15.00 C ATOM 889 CG2 VAL A 61 3.723 -3.736 -4.143 1.00 15.00 C ATOM 0 H VAL A 61 2.731 -5.818 -6.790 1.00 15.00 H new ATOM 0 HA VAL A 61 2.864 -2.885 -6.618 1.00 15.00 H new ATOM 0 HB VAL A 61 4.967 -4.776 -5.520 1.00 15.00 H new ATOM 0 HG11 VAL A 61 6.132 -2.710 -4.846 1.00 15.00 H new ATOM 0 HG12 VAL A 61 5.944 -2.819 -6.612 1.00 15.00 H new ATOM 0 HG13 VAL A 61 4.883 -1.745 -5.669 1.00 15.00 H new ATOM 0 HG21 VAL A 61 4.468 -3.735 -3.347 1.00 15.00 H new ATOM 0 HG22 VAL A 61 3.144 -2.814 -4.099 1.00 15.00 H new ATOM 0 HG23 VAL A 61 3.057 -4.589 -4.015 1.00 15.00 H new ATOM 899 N ASN A 62 3.759 -3.213 -8.949 1.00 15.00 N ATOM 900 CA ASN A 62 4.358 -3.322 -10.270 1.00 15.00 C ATOM 901 C ASN A 62 3.989 -4.668 -10.894 1.00 15.00 C ATOM 902 O ASN A 62 4.607 -5.108 -11.864 1.00 15.00 O ATOM 903 CB ASN A 62 5.879 -3.165 -10.190 1.00 15.00 C ATOM 904 CG ASN A 62 6.315 -1.714 -10.260 1.00 15.00 C ATOM 905 OD1 ASN A 62 7.241 -1.367 -10.992 1.00 15.00 O ATOM 906 ND2 ASN A 62 5.647 -0.856 -9.495 1.00 15.00 N ATOM 0 H ASN A 62 3.056 -2.479 -8.860 1.00 15.00 H new ATOM 0 HA ASN A 62 3.970 -2.521 -10.899 1.00 15.00 H new ATOM 0 HB2 ASN A 62 6.239 -3.605 -9.260 1.00 15.00 H new ATOM 0 HB3 ASN A 62 6.342 -3.720 -11.005 1.00 15.00 H new ATOM 0 HD21 ASN A 62 5.896 0.133 -9.500 1.00 15.00 H new ATOM 0 HD22 ASN A 62 4.885 -1.187 -8.903 1.00 15.00 H new ATOM 913 N GLY A 63 2.967 -5.314 -10.323 1.00 15.00 N ATOM 914 CA GLY A 63 2.512 -6.599 -10.821 1.00 15.00 C ATOM 915 C GLY A 63 2.922 -7.763 -9.937 1.00 15.00 C ATOM 916 O GLY A 63 2.682 -8.920 -10.281 1.00 15.00 O ATOM 0 H GLY A 63 2.446 -4.963 -9.519 1.00 15.00 H new ATOM 0 HA2 GLY A 63 1.426 -6.583 -10.909 1.00 15.00 H new ATOM 0 HA3 GLY A 63 2.911 -6.755 -11.823 1.00 15.00 H new ATOM 920 N VAL A 64 3.534 -7.466 -8.794 1.00 15.00 N ATOM 921 CA VAL A 64 3.960 -8.511 -7.871 1.00 15.00 C ATOM 922 C VAL A 64 2.894 -8.771 -6.806 1.00 15.00 C ATOM 923 O VAL A 64 2.685 -7.958 -5.907 1.00 15.00 O ATOM 924 CB VAL A 64 5.305 -8.160 -7.198 1.00 15.00 C ATOM 925 CG1 VAL A 64 5.130 -7.085 -6.139 1.00 15.00 C ATOM 926 CG2 VAL A 64 5.945 -9.405 -6.603 1.00 15.00 C ATOM 0 H VAL A 64 3.745 -6.516 -8.487 1.00 15.00 H new ATOM 0 HA VAL A 64 4.099 -9.420 -8.457 1.00 15.00 H new ATOM 0 HB VAL A 64 5.970 -7.763 -7.965 1.00 15.00 H new ATOM 0 HG11 VAL A 64 6.095 -6.861 -5.685 1.00 15.00 H new ATOM 0 HG12 VAL A 64 4.728 -6.183 -6.600 1.00 15.00 H new ATOM 0 HG13 VAL A 64 4.441 -7.439 -5.372 1.00 15.00 H new ATOM 0 HG21 VAL A 64 6.892 -9.138 -6.133 1.00 15.00 H new ATOM 0 HG22 VAL A 64 5.278 -9.836 -5.856 1.00 15.00 H new ATOM 0 HG23 VAL A 64 6.125 -10.135 -7.393 1.00 15.00 H new ATOM 936 N SER A 65 2.216 -9.908 -6.918 1.00 15.00 N ATOM 937 CA SER A 65 1.168 -10.272 -5.969 1.00 15.00 C ATOM 938 C SER A 65 1.698 -10.270 -4.539 1.00 15.00 C ATOM 939 O SER A 65 2.763 -10.820 -4.258 1.00 15.00 O ATOM 940 CB SER A 65 0.599 -11.651 -6.311 1.00 15.00 C ATOM 941 OG SER A 65 -0.533 -11.541 -7.156 1.00 15.00 O ATOM 0 H SER A 65 2.373 -10.594 -7.656 1.00 15.00 H new ATOM 0 HA SER A 65 0.375 -9.528 -6.042 1.00 15.00 H new ATOM 0 HB2 SER A 65 1.365 -12.253 -6.801 1.00 15.00 H new ATOM 0 HB3 SER A 65 0.323 -12.171 -5.394 1.00 15.00 H new ATOM 0 HG SER A 65 -0.876 -12.436 -7.361 1.00 15.00 H new ATOM 947 N LEU A 66 0.944 -9.647 -3.639 1.00 15.00 N ATOM 948 CA LEU A 66 1.332 -9.570 -2.237 1.00 15.00 C ATOM 949 C LEU A 66 0.750 -10.736 -1.443 1.00 15.00 C ATOM 950 O LEU A 66 1.255 -11.082 -0.375 1.00 15.00 O ATOM 951 CB LEU A 66 0.872 -8.242 -1.630 1.00 15.00 C ATOM 952 CG LEU A 66 1.933 -7.503 -0.813 1.00 15.00 C ATOM 953 CD1 LEU A 66 2.531 -8.420 0.243 1.00 15.00 C ATOM 954 CD2 LEU A 66 3.021 -6.957 -1.726 1.00 15.00 C ATOM 0 H LEU A 66 0.060 -9.188 -3.857 1.00 15.00 H new ATOM 0 HA LEU A 66 2.419 -9.628 -2.185 1.00 15.00 H new ATOM 0 HB2 LEU A 66 0.535 -7.589 -2.435 1.00 15.00 H new ATOM 0 HB3 LEU A 66 0.009 -8.431 -0.991 1.00 15.00 H new ATOM 0 HG LEU A 66 1.455 -6.665 -0.306 1.00 15.00 H new ATOM 0 HD11 LEU A 66 3.284 -7.876 0.814 1.00 15.00 H new ATOM 0 HD12 LEU A 66 1.744 -8.763 0.915 1.00 15.00 H new ATOM 0 HD13 LEU A 66 2.994 -9.279 -0.242 1.00 15.00 H new ATOM 0 HD21 LEU A 66 3.768 -6.434 -1.129 1.00 15.00 H new ATOM 0 HD22 LEU A 66 3.495 -7.781 -2.260 1.00 15.00 H new ATOM 0 HD23 LEU A 66 2.580 -6.265 -2.444 1.00 15.00 H new ATOM 966 N GLU A 67 -0.316 -11.339 -1.970 1.00 15.00 N ATOM 967 CA GLU A 67 -0.967 -12.469 -1.309 1.00 15.00 C ATOM 968 C GLU A 67 0.065 -13.461 -0.780 1.00 15.00 C ATOM 969 O GLU A 67 0.571 -14.303 -1.522 1.00 15.00 O ATOM 970 CB GLU A 67 -1.919 -13.172 -2.278 1.00 15.00 C ATOM 971 CG GLU A 67 -1.317 -13.418 -3.651 1.00 15.00 C ATOM 972 CD GLU A 67 -1.598 -14.814 -4.169 1.00 15.00 C ATOM 973 OE1 GLU A 67 -1.195 -15.788 -3.500 1.00 15.00 O ATOM 974 OE2 GLU A 67 -2.223 -14.934 -5.244 1.00 15.00 O ATOM 0 H GLU A 67 -0.747 -11.063 -2.853 1.00 15.00 H new ATOM 0 HA GLU A 67 -1.538 -12.084 -0.464 1.00 15.00 H new ATOM 0 HB2 GLU A 67 -2.223 -14.126 -1.848 1.00 15.00 H new ATOM 0 HB3 GLU A 67 -2.821 -12.570 -2.389 1.00 15.00 H new ATOM 0 HG2 GLU A 67 -1.715 -12.687 -4.354 1.00 15.00 H new ATOM 0 HG3 GLU A 67 -0.239 -13.262 -3.604 1.00 15.00 H new ATOM 981 N GLY A 68 0.379 -13.346 0.506 1.00 15.00 N ATOM 982 CA GLY A 68 1.355 -14.228 1.115 1.00 15.00 C ATOM 983 C GLY A 68 2.649 -13.508 1.439 1.00 15.00 C ATOM 984 O GLY A 68 3.699 -13.816 0.876 1.00 15.00 O ATOM 0 H GLY A 68 -0.027 -12.656 1.138 1.00 15.00 H new ATOM 0 HA2 GLY A 68 0.939 -14.653 2.028 1.00 15.00 H new ATOM 0 HA3 GLY A 68 1.562 -15.060 0.441 1.00 15.00 H new ATOM 988 N ALA A 69 2.570 -12.540 2.348 1.00 15.00 N ATOM 989 CA ALA A 69 3.738 -11.766 2.748 1.00 15.00 C ATOM 990 C ALA A 69 3.409 -10.847 3.919 1.00 15.00 C ATOM 991 O ALA A 69 2.367 -10.192 3.935 1.00 15.00 O ATOM 992 CB ALA A 69 4.261 -10.958 1.569 1.00 15.00 C ATOM 0 H ALA A 69 1.707 -12.274 2.821 1.00 15.00 H new ATOM 0 HA ALA A 69 4.514 -12.460 3.072 1.00 15.00 H new ATOM 0 HB1 ALA A 69 5.134 -10.384 1.880 1.00 15.00 H new ATOM 0 HB2 ALA A 69 4.540 -11.633 0.760 1.00 15.00 H new ATOM 0 HB3 ALA A 69 3.484 -10.277 1.221 1.00 15.00 H new ATOM 998 N THR A 70 4.302 -10.808 4.902 1.00 15.00 N ATOM 999 CA THR A 70 4.106 -9.976 6.083 1.00 15.00 C ATOM 1000 C THR A 70 4.303 -8.498 5.759 1.00 15.00 C ATOM 1001 O THR A 70 4.439 -8.114 4.597 1.00 15.00 O ATOM 1002 CB THR A 70 5.071 -10.398 7.192 1.00 15.00 C ATOM 1003 OG1 THR A 70 6.373 -9.900 6.941 1.00 15.00 O ATOM 1004 CG2 THR A 70 5.176 -11.899 7.354 1.00 15.00 C ATOM 0 H THR A 70 5.170 -11.344 4.904 1.00 15.00 H new ATOM 0 HA THR A 70 3.080 -10.116 6.424 1.00 15.00 H new ATOM 0 HB THR A 70 4.658 -9.978 8.109 1.00 15.00 H new ATOM 0 HG1 THR A 70 6.975 -10.179 7.662 1.00 15.00 H new ATOM 0 HG21 THR A 70 5.876 -12.130 8.157 1.00 15.00 H new ATOM 0 HG22 THR A 70 4.196 -12.308 7.599 1.00 15.00 H new ATOM 0 HG23 THR A 70 5.532 -12.341 6.423 1.00 15.00 H new ATOM 1012 N HIS A 71 4.320 -7.676 6.803 1.00 15.00 N ATOM 1013 CA HIS A 71 4.503 -6.237 6.658 1.00 15.00 C ATOM 1014 C HIS A 71 5.818 -5.954 5.957 1.00 15.00 C ATOM 1015 O HIS A 71 5.849 -5.409 4.853 1.00 15.00 O ATOM 1016 CB HIS A 71 4.459 -5.583 8.050 1.00 15.00 C ATOM 1017 CG HIS A 71 5.147 -4.255 8.178 1.00 15.00 C ATOM 1018 ND1 HIS A 71 5.367 -3.655 9.401 1.00 15.00 N ATOM 1019 CD2 HIS A 71 5.637 -3.397 7.250 1.00 15.00 C ATOM 1020 CE1 HIS A 71 5.954 -2.488 9.220 1.00 15.00 C ATOM 1021 NE2 HIS A 71 6.133 -2.308 7.926 1.00 15.00 N ATOM 0 H HIS A 71 4.208 -7.987 7.768 1.00 15.00 H new ATOM 0 HA HIS A 71 3.703 -5.816 6.050 1.00 15.00 H new ATOM 0 HB2 HIS A 71 3.415 -5.458 8.337 1.00 15.00 H new ATOM 0 HB3 HIS A 71 4.906 -6.272 8.767 1.00 15.00 H new ATOM 0 HD2 HIS A 71 5.638 -3.542 6.180 1.00 15.00 H new ATOM 0 HE1 HIS A 71 6.240 -1.797 9.999 1.00 15.00 H new ATOM 0 HE2 HIS A 71 6.569 -1.492 7.496 1.00 15.00 H new ATOM 1030 N LYS A 72 6.898 -6.347 6.604 1.00 15.00 N ATOM 1031 CA LYS A 72 8.232 -6.163 6.056 1.00 15.00 C ATOM 1032 C LYS A 72 8.320 -6.750 4.652 1.00 15.00 C ATOM 1033 O LYS A 72 8.992 -6.203 3.780 1.00 15.00 O ATOM 1034 CB LYS A 72 9.256 -6.826 6.972 1.00 15.00 C ATOM 1035 CG LYS A 72 10.692 -6.414 6.687 1.00 15.00 C ATOM 1036 CD LYS A 72 11.674 -7.184 7.555 1.00 15.00 C ATOM 1037 CE LYS A 72 12.292 -8.348 6.797 1.00 15.00 C ATOM 1038 NZ LYS A 72 12.847 -7.923 5.482 1.00 15.00 N ATOM 0 H LYS A 72 6.879 -6.800 7.518 1.00 15.00 H new ATOM 0 HA LYS A 72 8.445 -5.096 5.992 1.00 15.00 H new ATOM 0 HB2 LYS A 72 9.016 -6.581 8.007 1.00 15.00 H new ATOM 0 HB3 LYS A 72 9.172 -7.908 6.873 1.00 15.00 H new ATOM 0 HG2 LYS A 72 10.920 -6.588 5.635 1.00 15.00 H new ATOM 0 HG3 LYS A 72 10.807 -5.345 6.865 1.00 15.00 H new ATOM 0 HD2 LYS A 72 12.461 -6.513 7.899 1.00 15.00 H new ATOM 0 HD3 LYS A 72 11.163 -7.557 8.443 1.00 15.00 H new ATOM 0 HE2 LYS A 72 13.084 -8.793 7.399 1.00 15.00 H new ATOM 0 HE3 LYS A 72 11.539 -9.120 6.641 1.00 15.00 H new ATOM 0 HZ1 LYS A 72 13.653 -8.531 5.233 1.00 15.00 H new ATOM 0 HZ2 LYS A 72 12.112 -8.007 4.751 1.00 15.00 H new ATOM 0 HZ3 LYS A 72 13.164 -6.934 5.542 1.00 15.00 H new ATOM 1052 N GLN A 73 7.626 -7.865 4.438 1.00 15.00 N ATOM 1053 CA GLN A 73 7.621 -8.515 3.134 1.00 15.00 C ATOM 1054 C GLN A 73 7.087 -7.555 2.085 1.00 15.00 C ATOM 1055 O GLN A 73 7.719 -7.332 1.052 1.00 15.00 O ATOM 1056 CB GLN A 73 6.772 -9.786 3.169 1.00 15.00 C ATOM 1057 CG GLN A 73 7.381 -10.897 4.006 1.00 15.00 C ATOM 1058 CD GLN A 73 7.033 -12.279 3.486 1.00 15.00 C ATOM 1059 OE1 GLN A 73 6.445 -13.092 4.198 1.00 15.00 O ATOM 1060 NE2 GLN A 73 7.397 -12.550 2.238 1.00 15.00 N ATOM 0 H GLN A 73 7.063 -8.334 5.148 1.00 15.00 H new ATOM 0 HA GLN A 73 8.643 -8.794 2.877 1.00 15.00 H new ATOM 0 HB2 GLN A 73 5.785 -9.544 3.563 1.00 15.00 H new ATOM 0 HB3 GLN A 73 6.629 -10.146 2.150 1.00 15.00 H new ATOM 0 HG2 GLN A 73 8.465 -10.782 4.022 1.00 15.00 H new ATOM 0 HG3 GLN A 73 7.035 -10.803 5.035 1.00 15.00 H new ATOM 0 HE21 GLN A 73 7.883 -11.845 1.684 1.00 15.00 H new ATOM 0 HE22 GLN A 73 7.191 -13.463 1.833 1.00 15.00 H new ATOM 1069 N ALA A 74 5.932 -6.964 2.369 1.00 15.00 N ATOM 1070 CA ALA A 74 5.339 -6.001 1.456 1.00 15.00 C ATOM 1071 C ALA A 74 6.208 -4.757 1.390 1.00 15.00 C ATOM 1072 O ALA A 74 6.534 -4.269 0.309 1.00 15.00 O ATOM 1073 CB ALA A 74 3.937 -5.634 1.885 1.00 15.00 C ATOM 0 H ALA A 74 5.393 -7.135 3.218 1.00 15.00 H new ATOM 0 HA ALA A 74 5.279 -6.456 0.467 1.00 15.00 H new ATOM 0 HB1 ALA A 74 3.519 -4.912 1.183 1.00 15.00 H new ATOM 0 HB2 ALA A 74 3.315 -6.529 1.899 1.00 15.00 H new ATOM 0 HB3 ALA A 74 3.965 -5.196 2.883 1.00 15.00 H new ATOM 1079 N VAL A 75 6.600 -4.266 2.568 1.00 15.00 N ATOM 1080 CA VAL A 75 7.462 -3.093 2.675 1.00 15.00 C ATOM 1081 C VAL A 75 8.544 -3.161 1.611 1.00 15.00 C ATOM 1082 O VAL A 75 8.876 -2.167 0.967 1.00 15.00 O ATOM 1083 CB VAL A 75 8.101 -3.026 4.085 1.00 15.00 C ATOM 1084 CG1 VAL A 75 9.612 -3.227 4.042 1.00 15.00 C ATOM 1085 CG2 VAL A 75 7.760 -1.724 4.780 1.00 15.00 C ATOM 0 H VAL A 75 6.330 -4.668 3.466 1.00 15.00 H new ATOM 0 HA VAL A 75 6.865 -2.194 2.523 1.00 15.00 H new ATOM 0 HB VAL A 75 7.676 -3.848 4.661 1.00 15.00 H new ATOM 0 HG11 VAL A 75 10.015 -3.172 5.053 1.00 15.00 H new ATOM 0 HG12 VAL A 75 9.837 -4.204 3.614 1.00 15.00 H new ATOM 0 HG13 VAL A 75 10.065 -2.449 3.428 1.00 15.00 H new ATOM 0 HG21 VAL A 75 8.222 -1.706 5.767 1.00 15.00 H new ATOM 0 HG22 VAL A 75 8.134 -0.888 4.189 1.00 15.00 H new ATOM 0 HG23 VAL A 75 6.678 -1.640 4.885 1.00 15.00 H new ATOM 1095 N GLU A 76 9.072 -4.362 1.429 1.00 15.00 N ATOM 1096 CA GLU A 76 10.101 -4.600 0.439 1.00 15.00 C ATOM 1097 C GLU A 76 9.546 -4.426 -0.971 1.00 15.00 C ATOM 1098 O GLU A 76 10.168 -3.776 -1.806 1.00 15.00 O ATOM 1099 CB GLU A 76 10.683 -6.005 0.606 1.00 15.00 C ATOM 1100 CG GLU A 76 11.334 -6.237 1.960 1.00 15.00 C ATOM 1101 CD GLU A 76 11.293 -7.692 2.386 1.00 15.00 C ATOM 1102 OE1 GLU A 76 11.880 -8.534 1.675 1.00 15.00 O ATOM 1103 OE2 GLU A 76 10.674 -7.988 3.429 1.00 15.00 O ATOM 0 H GLU A 76 8.800 -5.189 1.960 1.00 15.00 H new ATOM 0 HA GLU A 76 10.895 -3.868 0.589 1.00 15.00 H new ATOM 0 HB2 GLU A 76 9.888 -6.738 0.464 1.00 15.00 H new ATOM 0 HB3 GLU A 76 11.421 -6.179 -0.177 1.00 15.00 H new ATOM 0 HG2 GLU A 76 12.371 -5.902 1.922 1.00 15.00 H new ATOM 0 HG3 GLU A 76 10.830 -5.628 2.710 1.00 15.00 H new ATOM 1110 N THR A 77 8.373 -5.005 -1.239 1.00 15.00 N ATOM 1111 CA THR A 77 7.767 -4.890 -2.565 1.00 15.00 C ATOM 1112 C THR A 77 7.397 -3.446 -2.888 1.00 15.00 C ATOM 1113 O THR A 77 7.792 -2.916 -3.926 1.00 15.00 O ATOM 1114 CB THR A 77 6.538 -5.786 -2.690 1.00 15.00 C ATOM 1115 OG1 THR A 77 5.789 -5.782 -1.493 1.00 15.00 O ATOM 1116 CG2 THR A 77 6.879 -7.224 -3.019 1.00 15.00 C ATOM 0 H THR A 77 7.832 -5.549 -0.567 1.00 15.00 H new ATOM 0 HA THR A 77 8.513 -5.221 -3.287 1.00 15.00 H new ATOM 0 HB THR A 77 5.959 -5.370 -3.514 1.00 15.00 H new ATOM 0 HG1 THR A 77 5.904 -4.922 -1.038 1.00 15.00 H new ATOM 0 HG21 THR A 77 5.961 -7.808 -3.094 1.00 15.00 H new ATOM 0 HG22 THR A 77 7.413 -7.263 -3.969 1.00 15.00 H new ATOM 0 HG23 THR A 77 7.509 -7.638 -2.232 1.00 15.00 H new ATOM 1124 N LEU A 78 6.637 -2.811 -1.996 1.00 15.00 N ATOM 1125 CA LEU A 78 6.221 -1.425 -2.204 1.00 15.00 C ATOM 1126 C LEU A 78 7.435 -0.551 -2.475 1.00 15.00 C ATOM 1127 O LEU A 78 7.460 0.228 -3.429 1.00 15.00 O ATOM 1128 CB LEU A 78 5.463 -0.891 -0.982 1.00 15.00 C ATOM 1129 CG LEU A 78 4.550 -1.895 -0.274 1.00 15.00 C ATOM 1130 CD1 LEU A 78 3.642 -1.182 0.716 1.00 15.00 C ATOM 1131 CD2 LEU A 78 3.725 -2.679 -1.283 1.00 15.00 C ATOM 0 H LEU A 78 6.299 -3.230 -1.130 1.00 15.00 H new ATOM 0 HA LEU A 78 5.554 -1.397 -3.066 1.00 15.00 H new ATOM 0 HB2 LEU A 78 6.191 -0.519 -0.261 1.00 15.00 H new ATOM 0 HB3 LEU A 78 4.860 -0.039 -1.296 1.00 15.00 H new ATOM 0 HG LEU A 78 5.177 -2.598 0.274 1.00 15.00 H new ATOM 0 HD11 LEU A 78 3.000 -1.911 1.210 1.00 15.00 H new ATOM 0 HD12 LEU A 78 4.249 -0.668 1.462 1.00 15.00 H new ATOM 0 HD13 LEU A 78 3.026 -0.455 0.186 1.00 15.00 H new ATOM 0 HD21 LEU A 78 3.084 -3.386 -0.757 1.00 15.00 H new ATOM 0 HD22 LEU A 78 3.109 -1.991 -1.862 1.00 15.00 H new ATOM 0 HD23 LEU A 78 4.391 -3.222 -1.954 1.00 15.00 H new ATOM 1143 N ARG A 79 8.447 -0.700 -1.632 1.00 15.00 N ATOM 1144 CA ARG A 79 9.680 0.055 -1.772 1.00 15.00 C ATOM 1145 C ARG A 79 10.440 -0.389 -3.020 1.00 15.00 C ATOM 1146 O ARG A 79 10.736 0.419 -3.900 1.00 15.00 O ATOM 1147 CB ARG A 79 10.546 -0.136 -0.524 1.00 15.00 C ATOM 1148 CG ARG A 79 11.381 1.082 -0.165 1.00 15.00 C ATOM 1149 CD ARG A 79 11.735 1.095 1.314 1.00 15.00 C ATOM 1150 NE ARG A 79 12.999 1.782 1.569 1.00 15.00 N ATOM 1151 CZ ARG A 79 13.119 3.104 1.656 1.00 15.00 C ATOM 1152 NH1 ARG A 79 12.058 3.886 1.503 1.00 15.00 N ATOM 1153 NH2 ARG A 79 14.305 3.647 1.896 1.00 15.00 N ATOM 0 H ARG A 79 8.436 -1.342 -0.839 1.00 15.00 H new ATOM 0 HA ARG A 79 9.438 1.112 -1.879 1.00 15.00 H new ATOM 0 HB2 ARG A 79 9.902 -0.385 0.319 1.00 15.00 H new ATOM 0 HB3 ARG A 79 11.209 -0.987 -0.680 1.00 15.00 H new ATOM 0 HG2 ARG A 79 12.295 1.087 -0.760 1.00 15.00 H new ATOM 0 HG3 ARG A 79 10.832 1.989 -0.417 1.00 15.00 H new ATOM 0 HD2 ARG A 79 10.937 1.584 1.873 1.00 15.00 H new ATOM 0 HD3 ARG A 79 11.799 0.070 1.680 1.00 15.00 H new ATOM 0 HE ARG A 79 13.838 1.215 1.687 1.00 15.00 H new ATOM 0 HH11 ARG A 79 11.143 3.474 1.317 1.00 15.00 H new ATOM 0 HH12 ARG A 79 12.157 4.899 1.571 1.00 15.00 H new ATOM 0 HH21 ARG A 79 15.124 3.051 2.014 1.00 15.00 H new ATOM 0 HH22 ARG A 79 14.398 4.661 1.963 1.00 15.00 H new ATOM 1167 N ASN A 80 10.752 -1.681 -3.081 1.00 15.00 N ATOM 1168 CA ASN A 80 11.479 -2.255 -4.212 1.00 15.00 C ATOM 1169 C ASN A 80 10.661 -2.203 -5.503 1.00 15.00 C ATOM 1170 O ASN A 80 10.339 -3.242 -6.082 1.00 15.00 O ATOM 1171 CB ASN A 80 11.866 -3.705 -3.909 1.00 15.00 C ATOM 1172 CG ASN A 80 12.741 -3.825 -2.676 1.00 15.00 C ATOM 1173 OD1 ASN A 80 13.316 -2.840 -2.211 1.00 15.00 O ATOM 1174 ND2 ASN A 80 12.847 -5.035 -2.140 1.00 15.00 N ATOM 0 H ASN A 80 10.511 -2.355 -2.355 1.00 15.00 H new ATOM 0 HA ASN A 80 12.377 -1.655 -4.359 1.00 15.00 H new ATOM 0 HB2 ASN A 80 10.962 -4.298 -3.769 1.00 15.00 H new ATOM 0 HB3 ASN A 80 12.392 -4.124 -4.767 1.00 15.00 H new ATOM 0 HD21 ASN A 80 13.422 -5.176 -1.310 1.00 15.00 H new ATOM 0 HD22 ASN A 80 12.353 -5.823 -2.558 1.00 15.00 H new ATOM 1181 N THR A 81 10.337 -1.000 -5.964 1.00 15.00 N ATOM 1182 CA THR A 81 9.573 -0.845 -7.197 1.00 15.00 C ATOM 1183 C THR A 81 10.515 -0.615 -8.376 1.00 15.00 C ATOM 1184 O THR A 81 10.701 -1.496 -9.214 1.00 15.00 O ATOM 1185 CB THR A 81 8.576 0.310 -7.077 1.00 15.00 C ATOM 1186 OG1 THR A 81 8.796 1.043 -5.885 1.00 15.00 O ATOM 1187 CG2 THR A 81 7.133 -0.144 -7.076 1.00 15.00 C ATOM 0 H THR A 81 10.589 -0.124 -5.507 1.00 15.00 H new ATOM 0 HA THR A 81 9.011 -1.763 -7.371 1.00 15.00 H new ATOM 0 HB THR A 81 8.746 0.930 -7.958 1.00 15.00 H new ATOM 0 HG1 THR A 81 8.265 0.654 -5.159 1.00 15.00 H new ATOM 0 HG21 THR A 81 6.479 0.723 -6.988 1.00 15.00 H new ATOM 0 HG22 THR A 81 6.916 -0.670 -8.006 1.00 15.00 H new ATOM 0 HG23 THR A 81 6.963 -0.814 -6.233 1.00 15.00 H new ATOM 1195 N GLY A 82 11.118 0.570 -8.426 1.00 15.00 N ATOM 1196 CA GLY A 82 12.044 0.885 -9.494 1.00 15.00 C ATOM 1197 C GLY A 82 11.643 2.111 -10.289 1.00 15.00 C ATOM 1198 O GLY A 82 11.822 3.243 -9.839 1.00 15.00 O ATOM 0 H GLY A 82 10.980 1.316 -7.744 1.00 15.00 H new ATOM 0 HA2 GLY A 82 13.036 1.043 -9.071 1.00 15.00 H new ATOM 0 HA3 GLY A 82 12.116 0.031 -10.167 1.00 15.00 H new ATOM 1202 N GLN A 83 11.117 1.879 -11.483 1.00 15.00 N ATOM 1203 CA GLN A 83 10.702 2.965 -12.370 1.00 15.00 C ATOM 1204 C GLN A 83 9.546 3.775 -11.781 1.00 15.00 C ATOM 1205 O GLN A 83 9.761 4.819 -11.166 1.00 15.00 O ATOM 1206 CB GLN A 83 10.317 2.423 -13.754 1.00 15.00 C ATOM 1207 CG GLN A 83 9.676 1.043 -13.730 1.00 15.00 C ATOM 1208 CD GLN A 83 8.511 0.924 -14.692 1.00 15.00 C ATOM 1209 OE1 GLN A 83 7.844 1.912 -15.003 1.00 15.00 O ATOM 1210 NE2 GLN A 83 8.257 -0.289 -15.169 1.00 15.00 N ATOM 0 H GLN A 83 10.966 0.945 -11.864 1.00 15.00 H new ATOM 0 HA GLN A 83 11.556 3.634 -12.477 1.00 15.00 H new ATOM 0 HB2 GLN A 83 9.628 3.123 -14.226 1.00 15.00 H new ATOM 0 HB3 GLN A 83 11.210 2.385 -14.378 1.00 15.00 H new ATOM 0 HG2 GLN A 83 10.427 0.293 -13.980 1.00 15.00 H new ATOM 0 HG3 GLN A 83 9.331 0.824 -12.719 1.00 15.00 H new ATOM 0 HE21 GLN A 83 8.835 -1.080 -14.885 1.00 15.00 H new ATOM 0 HE22 GLN A 83 7.484 -0.430 -15.819 1.00 15.00 H new ATOM 1219 N VAL A 84 8.321 3.297 -11.985 1.00 15.00 N ATOM 1220 CA VAL A 84 7.134 3.979 -11.485 1.00 15.00 C ATOM 1221 C VAL A 84 6.495 3.193 -10.342 1.00 15.00 C ATOM 1222 O VAL A 84 6.734 1.994 -10.188 1.00 15.00 O ATOM 1223 CB VAL A 84 6.104 4.188 -12.620 1.00 15.00 C ATOM 1224 CG1 VAL A 84 4.783 4.721 -12.082 1.00 15.00 C ATOM 1225 CG2 VAL A 84 6.668 5.131 -13.671 1.00 15.00 C ATOM 0 H VAL A 84 8.126 2.436 -12.496 1.00 15.00 H new ATOM 0 HA VAL A 84 7.444 4.953 -11.107 1.00 15.00 H new ATOM 0 HB VAL A 84 5.908 3.219 -13.079 1.00 15.00 H new ATOM 0 HG11 VAL A 84 4.083 4.856 -12.906 1.00 15.00 H new ATOM 0 HG12 VAL A 84 4.369 4.011 -11.366 1.00 15.00 H new ATOM 0 HG13 VAL A 84 4.951 5.678 -11.588 1.00 15.00 H new ATOM 0 HG21 VAL A 84 5.935 5.271 -14.465 1.00 15.00 H new ATOM 0 HG22 VAL A 84 6.894 6.094 -13.212 1.00 15.00 H new ATOM 0 HG23 VAL A 84 7.580 4.705 -14.090 1.00 15.00 H new ATOM 1235 N VAL A 85 5.680 3.871 -9.545 1.00 15.00 N ATOM 1236 CA VAL A 85 5.013 3.236 -8.421 1.00 15.00 C ATOM 1237 C VAL A 85 3.587 2.839 -8.798 1.00 15.00 C ATOM 1238 O VAL A 85 2.626 3.543 -8.484 1.00 15.00 O ATOM 1239 CB VAL A 85 5.004 4.176 -7.193 1.00 15.00 C ATOM 1240 CG1 VAL A 85 3.950 3.769 -6.175 1.00 15.00 C ATOM 1241 CG2 VAL A 85 6.383 4.219 -6.550 1.00 15.00 C ATOM 0 H VAL A 85 5.466 4.862 -9.658 1.00 15.00 H new ATOM 0 HA VAL A 85 5.566 2.333 -8.161 1.00 15.00 H new ATOM 0 HB VAL A 85 4.746 5.175 -7.544 1.00 15.00 H new ATOM 0 HG11 VAL A 85 3.978 4.455 -5.329 1.00 15.00 H new ATOM 0 HG12 VAL A 85 2.964 3.804 -6.638 1.00 15.00 H new ATOM 0 HG13 VAL A 85 4.152 2.756 -5.827 1.00 15.00 H new ATOM 0 HG21 VAL A 85 6.361 4.885 -5.687 1.00 15.00 H new ATOM 0 HG22 VAL A 85 6.666 3.217 -6.228 1.00 15.00 H new ATOM 0 HG23 VAL A 85 7.111 4.587 -7.274 1.00 15.00 H new ATOM 1251 N HIS A 86 3.463 1.699 -9.474 1.00 15.00 N ATOM 1252 CA HIS A 86 2.162 1.193 -9.896 1.00 15.00 C ATOM 1253 C HIS A 86 1.692 0.087 -8.959 1.00 15.00 C ATOM 1254 O HIS A 86 1.902 -1.097 -9.223 1.00 15.00 O ATOM 1255 CB HIS A 86 2.233 0.668 -11.331 1.00 15.00 C ATOM 1256 CG HIS A 86 0.935 0.773 -12.069 1.00 15.00 C ATOM 1257 ND1 HIS A 86 -0.278 0.955 -11.438 1.00 15.00 N ATOM 1258 CD2 HIS A 86 0.662 0.720 -13.395 1.00 15.00 C ATOM 1259 CE1 HIS A 86 -1.239 1.010 -12.342 1.00 15.00 C ATOM 1260 NE2 HIS A 86 -0.696 0.871 -13.537 1.00 15.00 N ATOM 0 H HIS A 86 4.250 1.108 -9.741 1.00 15.00 H new ATOM 0 HA HIS A 86 1.446 2.014 -9.858 1.00 15.00 H new ATOM 0 HB2 HIS A 86 2.997 1.223 -11.875 1.00 15.00 H new ATOM 0 HB3 HIS A 86 2.548 -0.375 -11.313 1.00 15.00 H new ATOM 0 HD2 HIS A 86 1.378 0.584 -14.192 1.00 15.00 H new ATOM 0 HE1 HIS A 86 -2.291 1.146 -12.138 1.00 15.00 H new ATOM 0 HE2 HIS A 86 -1.203 0.875 -14.422 1.00 15.00 H new ATOM 1269 N LEU A 87 1.068 0.483 -7.856 1.00 15.00 N ATOM 1270 CA LEU A 87 0.582 -0.468 -6.867 1.00 15.00 C ATOM 1271 C LEU A 87 -0.928 -0.661 -6.963 1.00 15.00 C ATOM 1272 O LEU A 87 -1.693 0.285 -6.801 1.00 15.00 O ATOM 1273 CB LEU A 87 0.948 0.012 -5.461 1.00 15.00 C ATOM 1274 CG LEU A 87 1.909 -0.895 -4.702 1.00 15.00 C ATOM 1275 CD1 LEU A 87 3.018 -0.082 -4.051 1.00 15.00 C ATOM 1276 CD2 LEU A 87 1.156 -1.706 -3.660 1.00 15.00 C ATOM 0 H LEU A 87 0.887 1.460 -7.625 1.00 15.00 H new ATOM 0 HA LEU A 87 1.058 -1.428 -7.069 1.00 15.00 H new ATOM 0 HB2 LEU A 87 1.392 1.005 -5.536 1.00 15.00 H new ATOM 0 HB3 LEU A 87 0.032 0.115 -4.879 1.00 15.00 H new ATOM 0 HG LEU A 87 2.367 -1.583 -5.412 1.00 15.00 H new ATOM 0 HD11 LEU A 87 3.692 -0.750 -3.515 1.00 15.00 H new ATOM 0 HD12 LEU A 87 3.574 0.455 -4.819 1.00 15.00 H new ATOM 0 HD13 LEU A 87 2.583 0.632 -3.352 1.00 15.00 H new ATOM 0 HD21 LEU A 87 1.855 -2.350 -3.125 1.00 15.00 H new ATOM 0 HD22 LEU A 87 0.671 -1.031 -2.954 1.00 15.00 H new ATOM 0 HD23 LEU A 87 0.401 -2.320 -4.152 1.00 15.00 H new ATOM 1288 N LEU A 88 -1.350 -1.898 -7.199 1.00 15.00 N ATOM 1289 CA LEU A 88 -2.771 -2.214 -7.283 1.00 15.00 C ATOM 1290 C LEU A 88 -3.247 -2.763 -5.943 1.00 15.00 C ATOM 1291 O LEU A 88 -2.992 -3.920 -5.606 1.00 15.00 O ATOM 1292 CB LEU A 88 -3.037 -3.229 -8.400 1.00 15.00 C ATOM 1293 CG LEU A 88 -2.287 -2.986 -9.718 1.00 15.00 C ATOM 1294 CD1 LEU A 88 -2.214 -1.501 -10.045 1.00 15.00 C ATOM 1295 CD2 LEU A 88 -0.891 -3.585 -9.660 1.00 15.00 C ATOM 0 H LEU A 88 -0.730 -2.697 -7.335 1.00 15.00 H new ATOM 0 HA LEU A 88 -3.323 -1.304 -7.518 1.00 15.00 H new ATOM 0 HB2 LEU A 88 -2.775 -4.221 -8.033 1.00 15.00 H new ATOM 0 HB3 LEU A 88 -4.107 -3.238 -8.609 1.00 15.00 H new ATOM 0 HG LEU A 88 -2.845 -3.480 -10.514 1.00 15.00 H new ATOM 0 HD11 LEU A 88 -1.677 -1.361 -10.983 1.00 15.00 H new ATOM 0 HD12 LEU A 88 -3.223 -1.099 -10.141 1.00 15.00 H new ATOM 0 HD13 LEU A 88 -1.689 -0.978 -9.246 1.00 15.00 H new ATOM 0 HD21 LEU A 88 -0.377 -3.402 -10.604 1.00 15.00 H new ATOM 0 HD22 LEU A 88 -0.331 -3.124 -8.846 1.00 15.00 H new ATOM 0 HD23 LEU A 88 -0.963 -4.659 -9.489 1.00 15.00 H new ATOM 1307 N LEU A 89 -3.911 -1.916 -5.166 1.00 15.00 N ATOM 1308 CA LEU A 89 -4.390 -2.309 -3.846 1.00 15.00 C ATOM 1309 C LEU A 89 -5.899 -2.527 -3.818 1.00 15.00 C ATOM 1310 O LEU A 89 -6.548 -2.680 -4.853 1.00 15.00 O ATOM 1311 CB LEU A 89 -4.027 -1.249 -2.804 1.00 15.00 C ATOM 1312 CG LEU A 89 -3.021 -0.203 -3.252 1.00 15.00 C ATOM 1313 CD1 LEU A 89 -3.062 0.985 -2.317 1.00 15.00 C ATOM 1314 CD2 LEU A 89 -1.632 -0.801 -3.296 1.00 15.00 C ATOM 0 H LEU A 89 -4.130 -0.954 -5.426 1.00 15.00 H new ATOM 0 HA LEU A 89 -3.901 -3.254 -3.609 1.00 15.00 H new ATOM 0 HB2 LEU A 89 -4.941 -0.740 -2.497 1.00 15.00 H new ATOM 0 HB3 LEU A 89 -3.631 -1.753 -1.922 1.00 15.00 H new ATOM 0 HG LEU A 89 -3.280 0.136 -4.255 1.00 15.00 H new ATOM 0 HD11 LEU A 89 -2.338 1.731 -2.645 1.00 15.00 H new ATOM 0 HD12 LEU A 89 -4.061 1.421 -2.326 1.00 15.00 H new ATOM 0 HD13 LEU A 89 -2.817 0.661 -1.306 1.00 15.00 H new ATOM 0 HD21 LEU A 89 -0.919 -0.042 -3.618 1.00 15.00 H new ATOM 0 HD22 LEU A 89 -1.358 -1.158 -2.303 1.00 15.00 H new ATOM 0 HD23 LEU A 89 -1.617 -1.635 -3.998 1.00 15.00 H new ATOM 1326 N GLU A 90 -6.438 -2.512 -2.603 1.00 15.00 N ATOM 1327 CA GLU A 90 -7.865 -2.677 -2.367 1.00 15.00 C ATOM 1328 C GLU A 90 -8.291 -1.758 -1.224 1.00 15.00 C ATOM 1329 O GLU A 90 -7.630 -1.708 -0.187 1.00 15.00 O ATOM 1330 CB GLU A 90 -8.185 -4.142 -2.039 1.00 15.00 C ATOM 1331 CG GLU A 90 -9.270 -4.331 -0.986 1.00 15.00 C ATOM 1332 CD GLU A 90 -9.592 -5.791 -0.738 1.00 15.00 C ATOM 1333 OE1 GLU A 90 -8.763 -6.652 -1.101 1.00 15.00 O ATOM 1334 OE2 GLU A 90 -10.674 -6.074 -0.182 1.00 15.00 O ATOM 0 H GLU A 90 -5.892 -2.384 -1.751 1.00 15.00 H new ATOM 0 HA GLU A 90 -8.419 -2.408 -3.266 1.00 15.00 H new ATOM 0 HB2 GLU A 90 -8.493 -4.647 -2.954 1.00 15.00 H new ATOM 0 HB3 GLU A 90 -7.274 -4.632 -1.696 1.00 15.00 H new ATOM 0 HG2 GLU A 90 -8.949 -3.870 -0.052 1.00 15.00 H new ATOM 0 HG3 GLU A 90 -10.174 -3.812 -1.304 1.00 15.00 H new ATOM 1341 N LYS A 91 -9.382 -1.023 -1.413 1.00 15.00 N ATOM 1342 CA LYS A 91 -9.858 -0.107 -0.384 1.00 15.00 C ATOM 1343 C LYS A 91 -9.941 -0.798 0.974 1.00 15.00 C ATOM 1344 O LYS A 91 -10.891 -1.528 1.257 1.00 15.00 O ATOM 1345 CB LYS A 91 -11.215 0.473 -0.767 1.00 15.00 C ATOM 1346 CG LYS A 91 -11.500 1.812 -0.107 1.00 15.00 C ATOM 1347 CD LYS A 91 -10.905 2.965 -0.900 1.00 15.00 C ATOM 1348 CE LYS A 91 -9.816 3.678 -0.114 1.00 15.00 C ATOM 1349 NZ LYS A 91 -10.309 4.160 1.206 1.00 15.00 N ATOM 0 H LYS A 91 -9.948 -1.043 -2.261 1.00 15.00 H new ATOM 0 HA LYS A 91 -9.139 0.709 -0.306 1.00 15.00 H new ATOM 0 HB2 LYS A 91 -11.260 0.592 -1.850 1.00 15.00 H new ATOM 0 HB3 LYS A 91 -11.997 -0.235 -0.491 1.00 15.00 H new ATOM 0 HG2 LYS A 91 -12.577 1.951 -0.015 1.00 15.00 H new ATOM 0 HG3 LYS A 91 -11.091 1.815 0.903 1.00 15.00 H new ATOM 0 HD2 LYS A 91 -10.493 2.589 -1.837 1.00 15.00 H new ATOM 0 HD3 LYS A 91 -11.691 3.674 -1.159 1.00 15.00 H new ATOM 0 HE2 LYS A 91 -8.975 3.001 0.038 1.00 15.00 H new ATOM 0 HE3 LYS A 91 -9.444 4.523 -0.693 1.00 15.00 H new ATOM 0 HZ1 LYS A 91 -9.811 5.036 1.464 1.00 15.00 H new ATOM 0 HZ2 LYS A 91 -11.330 4.347 1.148 1.00 15.00 H new ATOM 0 HZ3 LYS A 91 -10.131 3.434 1.929 1.00 15.00 H new ATOM 1363 N GLY A 92 -8.931 -0.562 1.805 1.00 15.00 N ATOM 1364 CA GLY A 92 -8.891 -1.165 3.123 1.00 15.00 C ATOM 1365 C GLY A 92 -10.007 -0.676 4.024 1.00 15.00 C ATOM 1366 O GLY A 92 -11.176 -0.685 3.635 1.00 15.00 O ATOM 0 H GLY A 92 -8.136 0.039 1.587 1.00 15.00 H new ATOM 0 HA2 GLY A 92 -8.958 -2.248 3.024 1.00 15.00 H new ATOM 0 HA3 GLY A 92 -7.931 -0.946 3.589 1.00 15.00 H new ATOM 1370 N GLN A 93 -9.648 -0.251 5.230 1.00 15.00 N ATOM 1371 CA GLN A 93 -10.627 0.242 6.192 1.00 15.00 C ATOM 1372 C GLN A 93 -11.087 1.650 5.829 1.00 15.00 C ATOM 1373 O GLN A 93 -10.317 2.606 5.912 1.00 15.00 O ATOM 1374 CB GLN A 93 -10.035 0.234 7.602 1.00 15.00 C ATOM 1375 CG GLN A 93 -10.160 -1.107 8.307 1.00 15.00 C ATOM 1376 CD GLN A 93 -9.123 -2.110 7.840 1.00 15.00 C ATOM 1377 OE1 GLN A 93 -9.445 -3.080 7.155 1.00 15.00 O ATOM 1378 NE2 GLN A 93 -7.868 -1.879 8.210 1.00 15.00 N ATOM 0 H GLN A 93 -8.685 -0.238 5.565 1.00 15.00 H new ATOM 0 HA GLN A 93 -11.492 -0.421 6.164 1.00 15.00 H new ATOM 0 HB2 GLN A 93 -8.982 0.509 7.546 1.00 15.00 H new ATOM 0 HB3 GLN A 93 -10.533 0.997 8.200 1.00 15.00 H new ATOM 0 HG2 GLN A 93 -10.059 -0.959 9.382 1.00 15.00 H new ATOM 0 HG3 GLN A 93 -11.157 -1.513 8.134 1.00 15.00 H new ATOM 0 HE21 GLN A 93 -7.646 -1.062 8.778 1.00 15.00 H new ATOM 0 HE22 GLN A 93 -7.126 -2.519 7.926 1.00 15.00 H new ATOM 1387 N SER A 94 -12.347 1.769 5.426 1.00 15.00 N ATOM 1388 CA SER A 94 -12.912 3.059 5.049 1.00 15.00 C ATOM 1389 C SER A 94 -13.191 3.913 6.283 1.00 15.00 C ATOM 1390 O SER A 94 -13.433 3.389 7.370 1.00 15.00 O ATOM 1391 CB SER A 94 -14.202 2.861 4.251 1.00 15.00 C ATOM 1392 OG SER A 94 -14.215 1.598 3.608 1.00 15.00 O ATOM 0 H SER A 94 -12.997 0.987 5.352 1.00 15.00 H new ATOM 0 HA SER A 94 -12.183 3.578 4.427 1.00 15.00 H new ATOM 0 HB2 SER A 94 -15.061 2.943 4.917 1.00 15.00 H new ATOM 0 HB3 SER A 94 -14.299 3.652 3.507 1.00 15.00 H new ATOM 0 HG SER A 94 -15.050 1.495 3.106 1.00 15.00 H new ATOM 1398 N PRO A 95 -13.162 5.248 6.129 1.00 15.00 N ATOM 1399 CA PRO A 95 -13.413 6.177 7.236 1.00 15.00 C ATOM 1400 C PRO A 95 -14.706 5.856 7.979 1.00 15.00 C ATOM 1401 O PRO A 95 -15.455 4.961 7.585 1.00 15.00 O ATOM 1402 CB PRO A 95 -13.518 7.537 6.542 1.00 15.00 C ATOM 1403 CG PRO A 95 -12.717 7.387 5.296 1.00 15.00 C ATOM 1404 CD PRO A 95 -12.881 5.956 4.866 1.00 15.00 C ATOM 0 HA PRO A 95 -12.630 6.130 7.993 1.00 15.00 H new ATOM 0 HB2 PRO A 95 -14.555 7.789 6.319 1.00 15.00 H new ATOM 0 HB3 PRO A 95 -13.125 8.335 7.172 1.00 15.00 H new ATOM 0 HG2 PRO A 95 -13.068 8.069 4.522 1.00 15.00 H new ATOM 0 HG3 PRO A 95 -11.668 7.622 5.476 1.00 15.00 H new ATOM 0 HD2 PRO A 95 -13.697 5.842 4.152 1.00 15.00 H new ATOM 0 HD3 PRO A 95 -11.980 5.576 4.384 1.00 15.00 H new ATOM 1412 N THR A 96 -14.963 6.593 9.055 1.00 15.00 N ATOM 1413 CA THR A 96 -16.165 6.387 9.854 1.00 15.00 C ATOM 1414 C THR A 96 -17.260 7.370 9.451 1.00 15.00 C ATOM 1415 O THR A 96 -16.943 8.564 9.267 1.00 15.00 O ATOM 1416 CB THR A 96 -15.848 6.543 11.342 1.00 15.00 C ATOM 1417 OG1 THR A 96 -17.034 6.496 12.115 1.00 15.00 O ATOM 1418 CG2 THR A 96 -15.138 7.839 11.669 1.00 15.00 C ATOM 1419 OXT THR A 96 -18.425 6.938 9.323 1.00 15.00 O ATOM 0 H THR A 96 -14.354 7.338 9.393 1.00 15.00 H new ATOM 0 HA THR A 96 -16.523 5.374 9.671 1.00 15.00 H new ATOM 0 HB THR A 96 -15.185 5.713 11.585 1.00 15.00 H new ATOM 0 HG1 THR A 96 -16.810 6.596 13.064 1.00 15.00 H new ATOM 0 HG21 THR A 96 -14.943 7.887 12.740 1.00 15.00 H new ATOM 0 HG22 THR A 96 -14.194 7.884 11.126 1.00 15.00 H new ATOM 0 HG23 THR A 96 -15.765 8.681 11.377 1.00 15.00 H new TER 1427 THR A 96