USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 966 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 NoAdj-H: A 77 HIS HD1 : A 77 HIS ND1 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 100 HIS HE2 : A 100 HIS NE2 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 107 HIS HD1 : A 107 HIS ND1 : A 400 ZNZN :(H bumps) USER MOD Set 1.1: A 37 ASN : amide:sc= 1.02 K(o=3.3,f=-7.5!) USER MOD Set 1.2: A 81 HIS : no HE2:sc= 0.973 K(o=3.3,f=-12!) USER MOD Set 1.3: A 85 SER OG : rot 80:sc= 1.26 USER MOD Set 2.1: A 13 GLN : amide:sc= -0.376 K(o=-0.38,f=-3) USER MOD Set 2.2: A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -160:sc= -0.175 (180deg=-0.769) USER MOD Single : A 9 LYS NZ :NH3+ -158:sc= 0.271 (180deg=-0.577) USER MOD Single : A 12 GLN : amide:sc=-0.00558 K(o=-0.0056,f=-1.1) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 148:sc= 1.26 (180deg=1.05) USER MOD Single : A 24 LYS NZ :NH3+ 157:sc= 1.16 (180deg=0.387) USER MOD Single : A 26 LYS NZ :NH3+ 155:sc= -1.49 (180deg=-2.8!) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 165:sc=-0.00563 (180deg=-0.126) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 49 LYS NZ :NH3+ 162:sc= -0.0733 (180deg=-0.356) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 173:sc= 0.535 (180deg=0.41) USER MOD Single : A 57 LYS NZ :NH3+ -158:sc= -0.0635 (180deg=-0.435) USER MOD Single : A 60 ASN : amide:sc= -0.52 X(o=-0.52,f=-0.52) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.0562 X(o=-0.056,f=-0.23) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 156:sc= 2.48 (180deg=2.33) USER MOD Single : A 82 LYS NZ :NH3+ 160:sc= -0.134 (180deg=-0.603) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN :FLIP amide:sc= 0 F(o=-0.89,f=0) USER MOD Single : A 89 ASN : amide:sc= -0.0078 X(o=-0.0078,f=-0.5) USER MOD Single : A 92 GLN : amide:sc= -1.08 K(o=-1.1,f=-6.1!) USER MOD Single : A 95 SER OG : rot 83:sc= 0.109 USER MOD Single : A 98 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 GLN :FLIP amide:sc= -0.489 F(o=-4.2!,f=-0.49) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 159:sc= -0.454! (180deg=-1.17!) USER MOD Single : A 114 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0456) USER MOD Single : A 115 ASN :FLIP amide:sc= -3.06! C(o=-6.7!,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.596 7.151 12.357 1.00 0.00 N ATOM 2 CA MET A 1 -16.916 6.307 11.354 1.00 0.00 C ATOM 3 C MET A 1 -15.462 6.730 11.277 1.00 0.00 C ATOM 4 O MET A 1 -15.133 7.702 10.603 1.00 0.00 O ATOM 5 CB MET A 1 -17.594 6.467 9.988 1.00 0.00 C ATOM 6 CG MET A 1 -19.099 6.264 10.032 1.00 0.00 C ATOM 7 SD MET A 1 -19.908 6.663 8.468 1.00 0.00 S ATOM 8 CE MET A 1 -21.629 6.445 8.921 1.00 0.00 C ATOM 0 H1 MET A 1 -18.468 6.681 12.672 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.967 7.297 13.172 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.832 8.071 11.934 1.00 0.00 H new ATOM 0 HA MET A 1 -16.978 5.258 11.642 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.381 7.463 9.600 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.159 5.752 9.289 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.313 5.227 10.292 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.521 6.885 10.822 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.262 6.655 8.059 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.792 5.418 9.249 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.881 7.129 9.731 1.00 0.00 H new ATOM 20 N ASP A 2 -14.604 6.011 11.993 1.00 0.00 N ATOM 21 CA ASP A 2 -13.227 6.448 12.207 1.00 0.00 C ATOM 22 C ASP A 2 -12.468 6.570 10.893 1.00 0.00 C ATOM 23 O ASP A 2 -12.267 5.586 10.179 1.00 0.00 O ATOM 24 CB ASP A 2 -12.497 5.494 13.152 1.00 0.00 C ATOM 25 CG ASP A 2 -11.223 6.101 13.698 1.00 0.00 C ATOM 26 OD1 ASP A 2 -10.279 6.308 12.915 1.00 0.00 O ATOM 27 OD2 ASP A 2 -11.167 6.382 14.914 1.00 0.00 O ATOM 0 H ASP A 2 -14.837 5.122 12.436 1.00 0.00 H new ATOM 0 HA ASP A 2 -13.266 7.436 12.666 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -13.156 5.229 13.979 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -12.261 4.570 12.624 1.00 0.00 H new ATOM 32 N GLU A 3 -12.047 7.788 10.586 1.00 0.00 N ATOM 33 CA GLU A 3 -11.367 8.079 9.332 1.00 0.00 C ATOM 34 C GLU A 3 -9.857 8.160 9.531 1.00 0.00 C ATOM 35 O GLU A 3 -9.130 8.585 8.636 1.00 0.00 O ATOM 36 CB GLU A 3 -11.878 9.404 8.758 1.00 0.00 C ATOM 37 CG GLU A 3 -13.389 9.452 8.576 1.00 0.00 C ATOM 38 CD GLU A 3 -14.019 10.636 9.281 1.00 0.00 C ATOM 39 OE1 GLU A 3 -14.088 11.728 8.681 1.00 0.00 O ATOM 40 OE2 GLU A 3 -14.449 10.484 10.441 1.00 0.00 O ATOM 0 H GLU A 3 -12.166 8.598 11.194 1.00 0.00 H new ATOM 0 HA GLU A 3 -11.581 7.268 8.635 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -11.575 10.216 9.418 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -11.399 9.581 7.795 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -13.623 9.500 7.512 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -13.828 8.530 8.958 1.00 0.00 H new ATOM 47 N LEU A 4 -9.380 7.748 10.699 1.00 0.00 N ATOM 48 CA LEU A 4 -7.963 7.863 11.017 1.00 0.00 C ATOM 49 C LEU A 4 -7.333 6.495 11.228 1.00 0.00 C ATOM 50 O LEU A 4 -6.363 6.135 10.557 1.00 0.00 O ATOM 51 CB LEU A 4 -7.763 8.731 12.264 1.00 0.00 C ATOM 52 CG LEU A 4 -8.230 10.184 12.127 1.00 0.00 C ATOM 53 CD1 LEU A 4 -8.066 10.926 13.449 1.00 0.00 C ATOM 54 CD2 LEU A 4 -7.458 10.893 11.018 1.00 0.00 C ATOM 0 H LEU A 4 -9.949 7.334 11.437 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.469 8.339 10.170 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.296 8.272 13.097 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.704 8.729 12.523 1.00 0.00 H new ATOM 0 HG LEU A 4 -9.287 10.181 11.863 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -8.403 11.956 13.332 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -8.661 10.435 14.218 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.016 10.918 13.743 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.803 11.924 10.936 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.394 10.885 11.253 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -7.625 10.378 10.072 1.00 0.00 H new ATOM 66 N ARG A 5 -7.901 5.727 12.148 1.00 0.00 N ATOM 67 CA ARG A 5 -7.369 4.435 12.503 1.00 0.00 C ATOM 68 C ARG A 5 -7.524 3.454 11.352 1.00 0.00 C ATOM 69 O ARG A 5 -6.577 2.767 10.985 1.00 0.00 O ATOM 70 CB ARG A 5 -8.087 3.902 13.740 1.00 0.00 C ATOM 71 CG ARG A 5 -7.842 4.713 15.002 1.00 0.00 C ATOM 72 CD ARG A 5 -6.365 4.742 15.375 1.00 0.00 C ATOM 73 NE ARG A 5 -5.804 3.399 15.516 1.00 0.00 N ATOM 74 CZ ARG A 5 -4.556 3.141 15.907 1.00 0.00 C ATOM 75 NH1 ARG A 5 -3.753 4.123 16.290 1.00 0.00 N ATOM 76 NH2 ARG A 5 -4.123 1.889 15.936 1.00 0.00 N ATOM 0 H ARG A 5 -8.741 5.989 12.663 1.00 0.00 H new ATOM 0 HA ARG A 5 -6.307 4.546 12.721 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -9.158 3.876 13.541 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -7.770 2.874 13.915 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -8.200 5.732 14.855 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -8.417 4.288 15.825 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -5.810 5.287 14.612 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -6.239 5.287 16.311 1.00 0.00 H new ATOM 0 HE ARG A 5 -6.408 2.606 15.301 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -4.088 5.086 16.287 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -2.800 3.916 16.588 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -4.744 1.128 15.660 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -3.169 1.686 16.234 1.00 0.00 H new ATOM 90 N GLU A 6 -8.710 3.429 10.754 1.00 0.00 N ATOM 91 CA GLU A 6 -9.000 2.495 9.675 1.00 0.00 C ATOM 92 C GLU A 6 -8.171 2.828 8.441 1.00 0.00 C ATOM 93 O GLU A 6 -7.770 1.938 7.691 1.00 0.00 O ATOM 94 CB GLU A 6 -10.488 2.520 9.328 1.00 0.00 C ATOM 95 CG GLU A 6 -11.406 2.235 10.508 1.00 0.00 C ATOM 96 CD GLU A 6 -11.030 0.977 11.262 1.00 0.00 C ATOM 97 OE1 GLU A 6 -10.781 -0.062 10.619 1.00 0.00 O ATOM 98 OE2 GLU A 6 -10.978 1.023 12.509 1.00 0.00 O ATOM 0 H GLU A 6 -9.485 4.045 10.999 1.00 0.00 H new ATOM 0 HA GLU A 6 -8.737 1.493 10.014 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -10.737 3.497 8.915 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -10.680 1.785 8.546 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -11.382 3.083 11.193 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -12.431 2.144 10.149 1.00 0.00 H new ATOM 105 N LEU A 7 -7.912 4.114 8.249 1.00 0.00 N ATOM 106 CA LEU A 7 -7.114 4.577 7.122 1.00 0.00 C ATOM 107 C LEU A 7 -5.678 4.077 7.263 1.00 0.00 C ATOM 108 O LEU A 7 -5.095 3.543 6.319 1.00 0.00 O ATOM 109 CB LEU A 7 -7.138 6.107 7.059 1.00 0.00 C ATOM 110 CG LEU A 7 -6.591 6.720 5.771 1.00 0.00 C ATOM 111 CD1 LEU A 7 -7.498 6.387 4.595 1.00 0.00 C ATOM 112 CD2 LEU A 7 -6.442 8.227 5.922 1.00 0.00 C ATOM 0 H LEU A 7 -8.245 4.858 8.862 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.536 4.181 6.198 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.166 6.443 7.193 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.564 6.497 7.899 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.607 6.294 5.576 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.093 6.832 3.686 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.556 5.305 4.475 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.495 6.785 4.781 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.051 8.649 4.996 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.414 8.669 6.140 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.753 8.445 6.739 1.00 0.00 H new ATOM 124 N LEU A 8 -5.131 4.235 8.464 1.00 0.00 N ATOM 125 CA LEU A 8 -3.778 3.781 8.767 1.00 0.00 C ATOM 126 C LEU A 8 -3.698 2.260 8.691 1.00 0.00 C ATOM 127 O LEU A 8 -2.726 1.696 8.187 1.00 0.00 O ATOM 128 CB LEU A 8 -3.383 4.249 10.166 1.00 0.00 C ATOM 129 CG LEU A 8 -1.904 4.084 10.522 1.00 0.00 C ATOM 130 CD1 LEU A 8 -1.040 4.941 9.610 1.00 0.00 C ATOM 131 CD2 LEU A 8 -1.666 4.440 11.982 1.00 0.00 C ATOM 0 H LEU A 8 -5.608 4.678 9.249 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.092 4.204 8.033 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.648 5.302 10.266 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.978 3.700 10.896 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.625 3.041 10.375 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.009 4.812 9.876 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.191 4.637 8.574 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.318 5.989 9.725 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.609 4.317 12.219 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.959 5.475 12.157 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.259 3.783 12.618 1.00 0.00 H new ATOM 143 N LYS A 9 -4.741 1.611 9.194 1.00 0.00 N ATOM 144 CA LYS A 9 -4.831 0.154 9.198 1.00 0.00 C ATOM 145 C LYS A 9 -4.727 -0.422 7.790 1.00 0.00 C ATOM 146 O LYS A 9 -4.154 -1.493 7.602 1.00 0.00 O ATOM 147 CB LYS A 9 -6.140 -0.297 9.848 1.00 0.00 C ATOM 148 CG LYS A 9 -6.135 -0.182 11.364 1.00 0.00 C ATOM 149 CD LYS A 9 -7.523 -0.375 11.972 1.00 0.00 C ATOM 150 CE LYS A 9 -8.108 -1.745 11.659 1.00 0.00 C ATOM 151 NZ LYS A 9 -8.801 -1.783 10.345 1.00 0.00 N ATOM 0 H LYS A 9 -5.547 2.077 9.610 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.989 -0.223 9.779 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.959 0.301 9.449 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.336 -1.333 9.571 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.454 -0.925 11.779 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.750 0.797 11.649 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.464 -0.246 13.053 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.193 0.398 11.595 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.310 -2.487 11.666 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.810 -2.024 12.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.479 -2.571 10.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -9.308 -0.888 10.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.101 -1.917 9.587 1.00 0.00 H new ATOM 165 N ALA A 10 -5.283 0.279 6.809 1.00 0.00 N ATOM 166 CA ALA A 10 -5.221 -0.170 5.421 1.00 0.00 C ATOM 167 C ALA A 10 -3.776 -0.230 4.937 1.00 0.00 C ATOM 168 O ALA A 10 -3.355 -1.212 4.322 1.00 0.00 O ATOM 169 CB ALA A 10 -6.041 0.746 4.525 1.00 0.00 C ATOM 0 H ALA A 10 -5.781 1.158 6.947 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.643 -1.174 5.370 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.982 0.395 3.495 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.081 0.739 4.852 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.648 1.761 4.585 1.00 0.00 H new ATOM 175 N GLU A 11 -3.018 0.818 5.239 1.00 0.00 N ATOM 176 CA GLU A 11 -1.608 0.887 4.870 1.00 0.00 C ATOM 177 C GLU A 11 -0.808 -0.177 5.616 1.00 0.00 C ATOM 178 O GLU A 11 0.009 -0.886 5.026 1.00 0.00 O ATOM 179 CB GLU A 11 -1.051 2.280 5.177 1.00 0.00 C ATOM 180 CG GLU A 11 -1.604 3.370 4.272 1.00 0.00 C ATOM 181 CD GLU A 11 -1.028 3.311 2.871 1.00 0.00 C ATOM 182 OE1 GLU A 11 -1.411 2.455 2.078 1.00 0.00 O ATOM 183 OE2 GLU A 11 -0.160 4.127 2.530 1.00 0.00 O ATOM 0 H GLU A 11 -3.359 1.637 5.742 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.519 0.699 3.800 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.275 2.532 6.214 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.035 2.257 5.082 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.689 3.278 4.219 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.388 4.345 4.709 1.00 0.00 H new ATOM 190 N GLN A 12 -1.066 -0.296 6.913 1.00 0.00 N ATOM 191 CA GLN A 12 -0.385 -1.281 7.745 1.00 0.00 C ATOM 192 C GLN A 12 -0.729 -2.701 7.302 1.00 0.00 C ATOM 193 O GLN A 12 0.077 -3.619 7.454 1.00 0.00 O ATOM 194 CB GLN A 12 -0.748 -1.078 9.218 1.00 0.00 C ATOM 195 CG GLN A 12 -0.187 0.206 9.809 1.00 0.00 C ATOM 196 CD GLN A 12 -0.679 0.465 11.220 1.00 0.00 C ATOM 197 OE1 GLN A 12 -1.795 0.090 11.581 1.00 0.00 O ATOM 198 NE2 GLN A 12 0.151 1.104 12.030 1.00 0.00 N ATOM 0 H GLN A 12 -1.744 0.279 7.413 1.00 0.00 H new ATOM 0 HA GLN A 12 0.689 -1.140 7.628 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.833 -1.071 9.319 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.379 -1.926 9.795 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.902 0.154 9.812 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.464 1.046 9.172 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.067 1.398 11.692 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.126 1.302 12.991 1.00 0.00 H new ATOM 207 N GLN A 13 -1.926 -2.873 6.748 1.00 0.00 N ATOM 208 CA GLN A 13 -2.361 -4.169 6.240 1.00 0.00 C ATOM 209 C GLN A 13 -1.465 -4.601 5.088 1.00 0.00 C ATOM 210 O GLN A 13 -1.018 -5.747 5.031 1.00 0.00 O ATOM 211 CB GLN A 13 -3.821 -4.097 5.770 1.00 0.00 C ATOM 212 CG GLN A 13 -4.677 -5.278 6.214 1.00 0.00 C ATOM 213 CD GLN A 13 -4.066 -6.623 5.881 1.00 0.00 C ATOM 214 OE1 GLN A 13 -3.313 -7.184 6.675 1.00 0.00 O ATOM 215 NE2 GLN A 13 -4.390 -7.152 4.715 1.00 0.00 N ATOM 0 H GLN A 13 -2.614 -2.128 6.640 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.289 -4.902 7.044 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -4.268 -3.177 6.146 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.839 -4.038 4.682 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.837 -5.217 7.290 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.656 -5.205 5.741 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.018 -6.653 4.085 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.012 -8.060 4.444 1.00 0.00 H new ATOM 224 N GLY A 14 -1.182 -3.665 4.200 1.00 0.00 N ATOM 225 CA GLY A 14 -0.304 -3.945 3.085 1.00 0.00 C ATOM 226 C GLY A 14 1.121 -4.178 3.534 1.00 0.00 C ATOM 227 O GLY A 14 1.788 -5.083 3.044 1.00 0.00 O ATOM 0 H GLY A 14 -1.545 -2.712 4.231 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.665 -4.824 2.551 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.332 -3.112 2.383 1.00 0.00 H new ATOM 231 N ILE A 15 1.583 -3.369 4.486 1.00 0.00 N ATOM 232 CA ILE A 15 2.922 -3.531 5.053 1.00 0.00 C ATOM 233 C ILE A 15 3.076 -4.918 5.674 1.00 0.00 C ATOM 234 O ILE A 15 4.113 -5.568 5.522 1.00 0.00 O ATOM 235 CB ILE A 15 3.222 -2.454 6.121 1.00 0.00 C ATOM 236 CG1 ILE A 15 3.167 -1.056 5.498 1.00 0.00 C ATOM 237 CG2 ILE A 15 4.583 -2.696 6.766 1.00 0.00 C ATOM 238 CD1 ILE A 15 3.382 0.062 6.495 1.00 0.00 C ATOM 0 H ILE A 15 1.050 -2.594 4.881 1.00 0.00 H new ATOM 0 HA ILE A 15 3.635 -3.415 4.237 1.00 0.00 H new ATOM 0 HB ILE A 15 2.460 -2.520 6.897 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.924 -0.986 4.717 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.199 -0.920 5.016 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.773 -1.926 7.514 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.590 -3.676 7.243 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.359 -2.659 6.002 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.329 1.022 5.982 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.610 0.018 7.263 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.362 -0.048 6.959 1.00 0.00 H new ATOM 250 N LYS A 16 2.029 -5.370 6.355 1.00 0.00 N ATOM 251 CA LYS A 16 1.987 -6.703 6.924 1.00 0.00 C ATOM 252 C LYS A 16 2.157 -7.756 5.835 1.00 0.00 C ATOM 253 O LYS A 16 2.950 -8.686 5.976 1.00 0.00 O ATOM 254 CB LYS A 16 0.655 -6.894 7.645 1.00 0.00 C ATOM 255 CG LYS A 16 0.711 -6.622 9.138 1.00 0.00 C ATOM 256 CD LYS A 16 -0.637 -6.867 9.795 1.00 0.00 C ATOM 257 CE LYS A 16 -1.688 -5.891 9.296 1.00 0.00 C ATOM 258 NZ LYS A 16 -3.050 -6.247 9.774 1.00 0.00 N ATOM 0 H LYS A 16 1.188 -4.819 6.526 1.00 0.00 H new ATOM 0 HA LYS A 16 2.806 -6.819 7.634 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.087 -6.235 7.195 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.312 -7.916 7.486 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.464 -7.262 9.598 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.020 -5.591 9.311 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.961 -7.887 9.591 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.538 -6.774 10.876 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.437 -4.885 9.632 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.679 -5.874 8.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.737 -5.556 9.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.301 -7.197 9.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.066 -6.238 10.814 1.00 0.00 H new ATOM 272 N ILE A 17 1.415 -7.587 4.745 1.00 0.00 N ATOM 273 CA ILE A 17 1.499 -8.487 3.605 1.00 0.00 C ATOM 274 C ILE A 17 2.885 -8.419 2.968 1.00 0.00 C ATOM 275 O ILE A 17 3.481 -9.444 2.648 1.00 0.00 O ATOM 276 CB ILE A 17 0.421 -8.141 2.547 1.00 0.00 C ATOM 277 CG1 ILE A 17 -0.980 -8.315 3.141 1.00 0.00 C ATOM 278 CG2 ILE A 17 0.586 -9.009 1.307 1.00 0.00 C ATOM 279 CD1 ILE A 17 -2.093 -7.891 2.207 1.00 0.00 C ATOM 0 H ILE A 17 0.744 -6.828 4.629 1.00 0.00 H new ATOM 0 HA ILE A 17 1.323 -9.500 3.967 1.00 0.00 H new ATOM 0 HB ILE A 17 0.548 -7.099 2.253 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.123 -9.361 3.411 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.049 -7.735 4.062 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.181 -8.750 0.577 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.572 -8.840 0.873 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.485 -10.059 1.582 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.056 -8.043 2.695 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.976 -6.837 1.956 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.051 -8.488 1.296 1.00 0.00 H new ATOM 291 N LEU A 18 3.398 -7.207 2.806 1.00 0.00 N ATOM 292 CA LEU A 18 4.705 -7.000 2.197 1.00 0.00 C ATOM 293 C LEU A 18 5.807 -7.712 2.976 1.00 0.00 C ATOM 294 O LEU A 18 6.641 -8.399 2.390 1.00 0.00 O ATOM 295 CB LEU A 18 5.006 -5.505 2.089 1.00 0.00 C ATOM 296 CG LEU A 18 4.092 -4.735 1.136 1.00 0.00 C ATOM 297 CD1 LEU A 18 4.339 -3.242 1.249 1.00 0.00 C ATOM 298 CD2 LEU A 18 4.301 -5.204 -0.296 1.00 0.00 C ATOM 0 H LEU A 18 2.926 -6.348 3.089 1.00 0.00 H new ATOM 0 HA LEU A 18 4.679 -7.431 1.196 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.930 -5.061 3.081 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.038 -5.379 1.762 1.00 0.00 H new ATOM 0 HG LEU A 18 3.057 -4.933 1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.679 -2.711 0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.139 -2.916 2.270 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.377 -3.025 0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.643 -4.646 -0.961 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.338 -5.036 -0.586 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.072 -6.267 -0.368 1.00 0.00 H new ATOM 310 N LYS A 19 5.807 -7.555 4.293 1.00 0.00 N ATOM 311 CA LYS A 19 6.788 -8.207 5.133 1.00 0.00 C ATOM 312 C LYS A 19 6.599 -9.724 5.118 1.00 0.00 C ATOM 313 O LYS A 19 7.572 -10.479 5.168 1.00 0.00 O ATOM 314 CB LYS A 19 6.695 -7.665 6.555 1.00 0.00 C ATOM 315 CG LYS A 19 7.115 -6.208 6.671 1.00 0.00 C ATOM 316 CD LYS A 19 7.333 -5.789 8.115 1.00 0.00 C ATOM 317 CE LYS A 19 7.785 -4.339 8.194 1.00 0.00 C ATOM 318 NZ LYS A 19 8.139 -3.935 9.578 1.00 0.00 N ATOM 0 H LYS A 19 5.134 -6.979 4.799 1.00 0.00 H new ATOM 0 HA LYS A 19 7.781 -7.993 4.739 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.670 -7.770 6.910 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.323 -8.270 7.209 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.033 -6.050 6.106 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.351 -5.574 6.221 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.409 -5.918 8.679 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.081 -6.434 8.576 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.647 -4.193 7.543 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.991 -3.692 7.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.441 -2.940 9.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.310 -4.048 10.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.915 -4.534 9.927 1.00 0.00 H new ATOM 332 N GLU A 20 5.347 -10.157 5.036 1.00 0.00 N ATOM 333 CA GLU A 20 5.023 -11.562 4.937 1.00 0.00 C ATOM 334 C GLU A 20 5.557 -12.150 3.632 1.00 0.00 C ATOM 335 O GLU A 20 6.192 -13.205 3.628 1.00 0.00 O ATOM 336 CB GLU A 20 3.509 -11.720 5.022 1.00 0.00 C ATOM 337 CG GLU A 20 3.028 -12.325 6.330 1.00 0.00 C ATOM 338 CD GLU A 20 3.618 -13.695 6.595 1.00 0.00 C ATOM 339 OE1 GLU A 20 3.270 -14.649 5.871 1.00 0.00 O ATOM 340 OE2 GLU A 20 4.419 -13.827 7.544 1.00 0.00 O ATOM 0 H GLU A 20 4.534 -9.541 5.037 1.00 0.00 H new ATOM 0 HA GLU A 20 5.494 -12.105 5.757 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.043 -10.743 4.891 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.172 -12.347 4.197 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.288 -11.657 7.151 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.941 -12.400 6.312 1.00 0.00 H new ATOM 347 N VAL A 21 5.315 -11.452 2.531 1.00 0.00 N ATOM 348 CA VAL A 21 5.814 -11.880 1.228 1.00 0.00 C ATOM 349 C VAL A 21 7.342 -11.855 1.201 1.00 0.00 C ATOM 350 O VAL A 21 7.979 -12.751 0.648 1.00 0.00 O ATOM 351 CB VAL A 21 5.261 -10.995 0.089 1.00 0.00 C ATOM 352 CG1 VAL A 21 5.834 -11.419 -1.251 1.00 0.00 C ATOM 353 CG2 VAL A 21 3.743 -11.054 0.054 1.00 0.00 C ATOM 0 H VAL A 21 4.776 -10.586 2.512 1.00 0.00 H new ATOM 0 HA VAL A 21 5.467 -12.901 1.069 1.00 0.00 H new ATOM 0 HB VAL A 21 5.565 -9.967 0.284 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.430 -10.782 -2.038 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.920 -11.324 -1.229 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.564 -12.456 -1.450 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.373 -10.424 -0.755 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.423 -12.083 -0.111 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.343 -10.698 1.003 1.00 0.00 H new ATOM 363 N LEU A 22 7.919 -10.827 1.814 1.00 0.00 N ATOM 364 CA LEU A 22 9.368 -10.703 1.924 1.00 0.00 C ATOM 365 C LEU A 22 9.948 -11.901 2.668 1.00 0.00 C ATOM 366 O LEU A 22 11.049 -12.369 2.367 1.00 0.00 O ATOM 367 CB LEU A 22 9.733 -9.407 2.653 1.00 0.00 C ATOM 368 CG LEU A 22 11.223 -9.069 2.680 1.00 0.00 C ATOM 369 CD1 LEU A 22 11.747 -8.843 1.268 1.00 0.00 C ATOM 370 CD2 LEU A 22 11.464 -7.842 3.541 1.00 0.00 C ATOM 0 H LEU A 22 7.400 -10.062 2.245 1.00 0.00 H new ATOM 0 HA LEU A 22 9.791 -10.676 0.920 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.199 -8.582 2.182 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.374 -9.474 3.680 1.00 0.00 H new ATOM 0 HG LEU A 22 11.764 -9.911 3.112 1.00 0.00 H new ATOM 0 HD11 LEU A 22 12.810 -8.604 1.308 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.601 -9.747 0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.206 -8.017 0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.529 -7.610 3.554 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.913 -6.996 3.131 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.124 -8.038 4.558 1.00 0.00 H new ATOM 382 N LYS A 23 9.201 -12.376 3.652 1.00 0.00 N ATOM 383 CA LYS A 23 9.566 -13.569 4.402 1.00 0.00 C ATOM 384 C LYS A 23 9.509 -14.791 3.490 1.00 0.00 C ATOM 385 O LYS A 23 10.448 -15.586 3.424 1.00 0.00 O ATOM 386 CB LYS A 23 8.590 -13.756 5.557 1.00 0.00 C ATOM 387 CG LYS A 23 9.100 -14.653 6.671 1.00 0.00 C ATOM 388 CD LYS A 23 8.035 -14.855 7.737 1.00 0.00 C ATOM 389 CE LYS A 23 7.649 -13.542 8.394 1.00 0.00 C ATOM 390 NZ LYS A 23 6.437 -13.681 9.236 1.00 0.00 N ATOM 0 H LYS A 23 8.326 -11.947 3.953 1.00 0.00 H new ATOM 0 HA LYS A 23 10.579 -13.456 4.789 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.350 -12.779 5.975 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.661 -14.173 5.168 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.396 -15.618 6.259 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.990 -14.212 7.120 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.153 -15.312 7.289 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.403 -15.547 8.494 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.477 -13.185 9.006 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.473 -12.789 7.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.496 -13.025 10.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.593 -13.459 8.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.370 -14.657 9.590 1.00 0.00 H new ATOM 404 N LYS A 24 8.391 -14.910 2.781 1.00 0.00 N ATOM 405 CA LYS A 24 8.165 -16.008 1.835 1.00 0.00 C ATOM 406 C LYS A 24 9.223 -16.040 0.735 1.00 0.00 C ATOM 407 O LYS A 24 9.453 -17.081 0.121 1.00 0.00 O ATOM 408 CB LYS A 24 6.773 -15.900 1.204 1.00 0.00 C ATOM 409 CG LYS A 24 5.701 -16.683 1.945 1.00 0.00 C ATOM 410 CD LYS A 24 5.562 -16.232 3.387 1.00 0.00 C ATOM 411 CE LYS A 24 4.591 -17.114 4.154 1.00 0.00 C ATOM 412 NZ LYS A 24 4.986 -18.543 4.092 1.00 0.00 N ATOM 0 H LYS A 24 7.615 -14.251 2.843 1.00 0.00 H new ATOM 0 HA LYS A 24 8.236 -16.936 2.402 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.482 -14.850 1.166 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.822 -16.255 0.174 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.746 -16.563 1.434 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.945 -17.745 1.919 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.538 -16.255 3.872 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.217 -15.199 3.415 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.550 -16.792 5.195 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.588 -16.995 3.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.574 -19.053 4.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.639 -18.961 3.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.023 -18.619 4.128 1.00 0.00 H new ATOM 426 N ALA A 25 9.852 -14.897 0.485 1.00 0.00 N ATOM 427 CA ALA A 25 10.916 -14.804 -0.510 1.00 0.00 C ATOM 428 C ALA A 25 12.107 -15.680 -0.128 1.00 0.00 C ATOM 429 O ALA A 25 12.857 -16.130 -0.992 1.00 0.00 O ATOM 430 CB ALA A 25 11.349 -13.357 -0.690 1.00 0.00 C ATOM 0 H ALA A 25 9.643 -14.018 0.959 1.00 0.00 H new ATOM 0 HA ALA A 25 10.524 -15.170 -1.459 1.00 0.00 H new ATOM 0 HB1 ALA A 25 12.143 -13.305 -1.435 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.499 -12.762 -1.023 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.716 -12.966 0.259 1.00 0.00 H new ATOM 436 N LYS A 26 12.268 -15.926 1.170 1.00 0.00 N ATOM 437 CA LYS A 26 13.336 -16.794 1.657 1.00 0.00 C ATOM 438 C LYS A 26 12.987 -18.243 1.336 1.00 0.00 C ATOM 439 O LYS A 26 13.856 -19.056 1.025 1.00 0.00 O ATOM 440 CB LYS A 26 13.521 -16.615 3.171 1.00 0.00 C ATOM 441 CG LYS A 26 14.948 -16.837 3.675 1.00 0.00 C ATOM 442 CD LYS A 26 15.419 -18.287 3.566 1.00 0.00 C ATOM 443 CE LYS A 26 14.826 -19.186 4.648 1.00 0.00 C ATOM 444 NZ LYS A 26 13.418 -19.580 4.368 1.00 0.00 N ATOM 0 H LYS A 26 11.673 -15.537 1.902 1.00 0.00 H new ATOM 0 HA LYS A 26 14.271 -16.528 1.165 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.207 -15.608 3.444 1.00 0.00 H new ATOM 0 HB3 LYS A 26 12.857 -17.307 3.688 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.627 -16.200 3.109 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.009 -16.522 4.717 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.148 -18.679 2.586 1.00 0.00 H new ATOM 0 HD3 LYS A 26 16.507 -18.317 3.632 1.00 0.00 H new ATOM 0 HE2 LYS A 26 15.437 -20.084 4.742 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.869 -18.669 5.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 13.205 -20.475 4.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 12.775 -18.838 4.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 13.289 -19.702 3.343 1.00 0.00 H new ATOM 458 N GLU A 27 11.698 -18.557 1.417 1.00 0.00 N ATOM 459 CA GLU A 27 11.209 -19.896 1.112 1.00 0.00 C ATOM 460 C GLU A 27 11.299 -20.150 -0.390 1.00 0.00 C ATOM 461 O GLU A 27 11.797 -21.189 -0.832 1.00 0.00 O ATOM 462 CB GLU A 27 9.772 -20.047 1.617 1.00 0.00 C ATOM 463 CG GLU A 27 9.637 -19.782 3.108 1.00 0.00 C ATOM 464 CD GLU A 27 8.208 -19.873 3.602 1.00 0.00 C ATOM 465 OE1 GLU A 27 7.680 -20.998 3.699 1.00 0.00 O ATOM 466 OE2 GLU A 27 7.615 -18.821 3.913 1.00 0.00 O ATOM 0 H GLU A 27 10.970 -17.898 1.693 1.00 0.00 H new ATOM 0 HA GLU A 27 11.827 -20.638 1.617 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.126 -19.359 1.071 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.420 -21.055 1.399 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.250 -20.498 3.655 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.030 -18.790 3.331 1.00 0.00 H new ATOM 473 N GLY A 28 10.831 -19.181 -1.163 1.00 0.00 N ATOM 474 CA GLY A 28 11.014 -19.215 -2.598 1.00 0.00 C ATOM 475 C GLY A 28 10.086 -20.175 -3.316 1.00 0.00 C ATOM 476 O GLY A 28 10.546 -21.069 -4.027 1.00 0.00 O ATOM 0 H GLY A 28 10.324 -18.366 -0.818 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.862 -18.212 -2.997 1.00 0.00 H new ATOM 0 HA3 GLY A 28 12.046 -19.492 -2.816 1.00 0.00 H new ATOM 480 N ASP A 29 8.781 -19.999 -3.139 1.00 0.00 N ATOM 481 CA ASP A 29 7.815 -20.746 -3.938 1.00 0.00 C ATOM 482 C ASP A 29 7.286 -19.851 -5.041 1.00 0.00 C ATOM 483 O ASP A 29 6.681 -18.814 -4.773 1.00 0.00 O ATOM 484 CB ASP A 29 6.656 -21.268 -3.093 1.00 0.00 C ATOM 485 CG ASP A 29 5.723 -22.157 -3.900 1.00 0.00 C ATOM 486 OD1 ASP A 29 4.786 -21.635 -4.537 1.00 0.00 O ATOM 487 OD2 ASP A 29 5.939 -23.385 -3.912 1.00 0.00 O ATOM 0 H ASP A 29 8.372 -19.356 -2.461 1.00 0.00 H new ATOM 0 HA ASP A 29 8.323 -21.612 -4.363 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.049 -21.829 -2.245 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.095 -20.427 -2.687 1.00 0.00 H new ATOM 492 N GLU A 30 7.512 -20.259 -6.277 1.00 0.00 N ATOM 493 CA GLU A 30 7.223 -19.422 -7.438 1.00 0.00 C ATOM 494 C GLU A 30 5.729 -19.136 -7.553 1.00 0.00 C ATOM 495 O GLU A 30 5.318 -18.000 -7.798 1.00 0.00 O ATOM 496 CB GLU A 30 7.724 -20.108 -8.711 1.00 0.00 C ATOM 497 CG GLU A 30 9.173 -20.558 -8.623 1.00 0.00 C ATOM 498 CD GLU A 30 9.657 -21.238 -9.885 1.00 0.00 C ATOM 499 OE1 GLU A 30 9.363 -22.439 -10.070 1.00 0.00 O ATOM 500 OE2 GLU A 30 10.345 -20.579 -10.692 1.00 0.00 O ATOM 0 H GLU A 30 7.899 -21.174 -6.508 1.00 0.00 H new ATOM 0 HA GLU A 30 7.741 -18.471 -7.310 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.095 -20.973 -8.921 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.614 -19.423 -9.552 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.805 -19.694 -8.417 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.285 -21.242 -7.782 1.00 0.00 H new ATOM 507 N GLN A 31 4.924 -20.170 -7.357 1.00 0.00 N ATOM 508 CA GLN A 31 3.479 -20.057 -7.502 1.00 0.00 C ATOM 509 C GLN A 31 2.869 -19.250 -6.362 1.00 0.00 C ATOM 510 O GLN A 31 1.988 -18.417 -6.583 1.00 0.00 O ATOM 511 CB GLN A 31 2.848 -21.446 -7.566 1.00 0.00 C ATOM 512 CG GLN A 31 3.268 -22.240 -8.793 1.00 0.00 C ATOM 513 CD GLN A 31 2.604 -23.598 -8.864 1.00 0.00 C ATOM 514 OE1 GLN A 31 2.295 -24.213 -7.842 1.00 0.00 O ATOM 515 NE2 GLN A 31 2.371 -24.072 -10.073 1.00 0.00 N ATOM 0 H GLN A 31 5.248 -21.101 -7.096 1.00 0.00 H new ATOM 0 HA GLN A 31 3.273 -19.528 -8.433 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.121 -22.003 -6.670 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.763 -21.345 -7.561 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.022 -21.672 -9.690 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.350 -22.369 -8.784 1.00 0.00 H new ATOM 0 HE21 GLN A 31 2.643 -23.531 -10.894 1.00 0.00 H new ATOM 0 HE22 GLN A 31 1.919 -24.979 -10.187 1.00 0.00 H new ATOM 524 N GLU A 32 3.349 -19.493 -5.147 1.00 0.00 N ATOM 525 CA GLU A 32 2.851 -18.795 -3.974 1.00 0.00 C ATOM 526 C GLU A 32 3.193 -17.312 -4.049 1.00 0.00 C ATOM 527 O GLU A 32 2.368 -16.467 -3.727 1.00 0.00 O ATOM 528 CB GLU A 32 3.436 -19.399 -2.698 1.00 0.00 C ATOM 529 CG GLU A 32 2.705 -18.973 -1.439 1.00 0.00 C ATOM 530 CD GLU A 32 1.259 -19.429 -1.434 1.00 0.00 C ATOM 531 OE1 GLU A 32 1.003 -20.599 -1.082 1.00 0.00 O ATOM 532 OE2 GLU A 32 0.374 -18.633 -1.806 1.00 0.00 O ATOM 0 H GLU A 32 4.085 -20.171 -4.952 1.00 0.00 H new ATOM 0 HA GLU A 32 1.767 -18.906 -3.949 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.410 -20.486 -2.774 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.484 -19.111 -2.616 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.216 -19.383 -0.568 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.742 -17.887 -1.349 1.00 0.00 H new ATOM 539 N LEU A 33 4.407 -17.002 -4.492 1.00 0.00 N ATOM 540 CA LEU A 33 4.848 -15.613 -4.613 1.00 0.00 C ATOM 541 C LEU A 33 3.955 -14.833 -5.574 1.00 0.00 C ATOM 542 O LEU A 33 3.567 -13.701 -5.292 1.00 0.00 O ATOM 543 CB LEU A 33 6.308 -15.544 -5.070 1.00 0.00 C ATOM 544 CG LEU A 33 7.333 -15.973 -4.015 1.00 0.00 C ATOM 545 CD1 LEU A 33 8.741 -15.896 -4.582 1.00 0.00 C ATOM 546 CD2 LEU A 33 7.215 -15.108 -2.768 1.00 0.00 C ATOM 0 H LEU A 33 5.104 -17.692 -4.773 1.00 0.00 H new ATOM 0 HA LEU A 33 4.770 -15.154 -3.627 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.428 -16.175 -5.951 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.530 -14.522 -5.377 1.00 0.00 H new ATOM 0 HG LEU A 33 7.126 -17.006 -3.736 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.457 -16.204 -3.820 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.822 -16.557 -5.445 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.955 -14.872 -4.888 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.952 -15.429 -2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.395 -14.065 -3.030 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.214 -15.209 -2.348 1.00 0.00 H new ATOM 558 N ALA A 34 3.616 -15.451 -6.701 1.00 0.00 N ATOM 559 CA ALA A 34 2.731 -14.819 -7.677 1.00 0.00 C ATOM 560 C ALA A 34 1.325 -14.669 -7.105 1.00 0.00 C ATOM 561 O ALA A 34 0.631 -13.687 -7.362 1.00 0.00 O ATOM 562 CB ALA A 34 2.700 -15.626 -8.970 1.00 0.00 C ATOM 0 H ALA A 34 3.938 -16.383 -6.961 1.00 0.00 H new ATOM 0 HA ALA A 34 3.118 -13.825 -7.901 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.036 -15.141 -9.686 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.705 -15.682 -9.388 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.337 -16.632 -8.762 1.00 0.00 H new ATOM 568 N ARG A 35 0.924 -15.651 -6.316 1.00 0.00 N ATOM 569 CA ARG A 35 -0.380 -15.649 -5.669 1.00 0.00 C ATOM 570 C ARG A 35 -0.443 -14.568 -4.592 1.00 0.00 C ATOM 571 O ARG A 35 -1.460 -13.896 -4.422 1.00 0.00 O ATOM 572 CB ARG A 35 -0.639 -17.028 -5.074 1.00 0.00 C ATOM 573 CG ARG A 35 -2.019 -17.209 -4.466 1.00 0.00 C ATOM 574 CD ARG A 35 -2.373 -18.683 -4.356 1.00 0.00 C ATOM 575 NE ARG A 35 -1.277 -19.472 -3.790 1.00 0.00 N ATOM 576 CZ ARG A 35 -0.740 -20.538 -4.386 1.00 0.00 C ATOM 577 NH1 ARG A 35 -1.165 -20.919 -5.585 1.00 0.00 N ATOM 578 NH2 ARG A 35 0.237 -21.210 -3.790 1.00 0.00 N ATOM 0 H ARG A 35 1.491 -16.472 -6.105 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.153 -15.425 -6.404 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.500 -17.777 -5.854 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.110 -17.224 -4.306 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -2.049 -16.749 -3.478 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.761 -16.697 -5.079 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.260 -18.797 -3.733 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.625 -19.070 -5.344 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.901 -19.189 -2.885 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.905 -20.396 -6.054 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.752 -21.735 -6.037 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.578 -20.912 -2.876 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.647 -22.025 -4.246 1.00 0.00 H new ATOM 592 N LEU A 36 0.659 -14.418 -3.869 1.00 0.00 N ATOM 593 CA LEU A 36 0.795 -13.368 -2.864 1.00 0.00 C ATOM 594 C LEU A 36 0.734 -11.990 -3.511 1.00 0.00 C ATOM 595 O LEU A 36 0.232 -11.038 -2.916 1.00 0.00 O ATOM 596 CB LEU A 36 2.107 -13.532 -2.092 1.00 0.00 C ATOM 597 CG LEU A 36 2.194 -14.778 -1.209 1.00 0.00 C ATOM 598 CD1 LEU A 36 3.561 -14.866 -0.556 1.00 0.00 C ATOM 599 CD2 LEU A 36 1.101 -14.766 -0.150 1.00 0.00 C ATOM 0 H LEU A 36 1.480 -15.016 -3.960 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.036 -13.458 -2.165 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.930 -13.555 -2.807 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.253 -12.652 -1.466 1.00 0.00 H new ATOM 0 HG LEU A 36 2.050 -15.656 -1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.609 -15.757 0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.330 -14.922 -1.327 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.728 -13.982 0.059 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.182 -15.661 0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.212 -13.882 0.478 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.125 -14.746 -0.635 1.00 0.00 H new ATOM 611 N ASN A 37 1.249 -11.891 -4.734 1.00 0.00 N ATOM 612 CA ASN A 37 1.191 -10.646 -5.496 1.00 0.00 C ATOM 613 C ASN A 37 -0.254 -10.171 -5.642 1.00 0.00 C ATOM 614 O ASN A 37 -0.547 -8.988 -5.475 1.00 0.00 O ATOM 615 CB ASN A 37 1.831 -10.840 -6.876 1.00 0.00 C ATOM 616 CG ASN A 37 1.696 -9.623 -7.772 1.00 0.00 C ATOM 617 OD1 ASN A 37 2.507 -8.698 -7.713 1.00 0.00 O ATOM 618 ND2 ASN A 37 0.685 -9.631 -8.626 1.00 0.00 N ATOM 0 H ASN A 37 1.712 -12.659 -5.219 1.00 0.00 H new ATOM 0 HA ASN A 37 1.749 -9.883 -4.954 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.888 -11.075 -6.750 1.00 0.00 H new ATOM 0 HB3 ASN A 37 1.370 -11.697 -7.366 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.554 -8.850 -9.269 1.00 0.00 H new ATOM 0 HD22 ASN A 37 0.036 -10.418 -8.641 1.00 0.00 H new ATOM 625 N GLN A 38 -1.147 -11.108 -5.942 1.00 0.00 N ATOM 626 CA GLN A 38 -2.567 -10.826 -6.051 1.00 0.00 C ATOM 627 C GLN A 38 -3.105 -10.241 -4.746 1.00 0.00 C ATOM 628 O GLN A 38 -3.892 -9.296 -4.758 1.00 0.00 O ATOM 629 CB GLN A 38 -3.280 -12.128 -6.385 1.00 0.00 C ATOM 630 CG GLN A 38 -4.463 -11.978 -7.315 1.00 0.00 C ATOM 631 CD GLN A 38 -5.739 -11.547 -6.613 1.00 0.00 C ATOM 632 OE1 GLN A 38 -6.497 -12.381 -6.116 1.00 0.00 O ATOM 633 NE2 GLN A 38 -6.012 -10.253 -6.602 1.00 0.00 N ATOM 0 H GLN A 38 -0.903 -12.083 -6.116 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.741 -10.089 -6.835 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.563 -12.813 -6.838 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.620 -12.589 -5.458 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.218 -11.247 -8.086 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.640 -12.927 -7.821 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.361 -9.591 -7.023 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.874 -9.917 -6.172 1.00 0.00 H new ATOM 642 N GLU A 39 -2.656 -10.802 -3.627 1.00 0.00 N ATOM 643 CA GLU A 39 -3.070 -10.344 -2.301 1.00 0.00 C ATOM 644 C GLU A 39 -2.638 -8.894 -2.071 1.00 0.00 C ATOM 645 O GLU A 39 -3.392 -8.086 -1.528 1.00 0.00 O ATOM 646 CB GLU A 39 -2.457 -11.253 -1.228 1.00 0.00 C ATOM 647 CG GLU A 39 -2.872 -10.917 0.197 1.00 0.00 C ATOM 648 CD GLU A 39 -4.322 -11.242 0.480 1.00 0.00 C ATOM 649 OE1 GLU A 39 -4.622 -12.421 0.765 1.00 0.00 O ATOM 650 OE2 GLU A 39 -5.163 -10.325 0.450 1.00 0.00 O ATOM 0 H GLU A 39 -1.999 -11.582 -3.611 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.157 -10.391 -2.237 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.737 -12.285 -1.441 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.371 -11.196 -1.299 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.239 -11.467 0.894 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.700 -9.856 0.379 1.00 0.00 H new ATOM 657 N ILE A 40 -1.424 -8.567 -2.504 1.00 0.00 N ATOM 658 CA ILE A 40 -0.901 -7.212 -2.366 1.00 0.00 C ATOM 659 C ILE A 40 -1.763 -6.219 -3.143 1.00 0.00 C ATOM 660 O ILE A 40 -2.202 -5.204 -2.603 1.00 0.00 O ATOM 661 CB ILE A 40 0.561 -7.114 -2.858 1.00 0.00 C ATOM 662 CG1 ILE A 40 1.439 -8.129 -2.118 1.00 0.00 C ATOM 663 CG2 ILE A 40 1.095 -5.700 -2.658 1.00 0.00 C ATOM 664 CD1 ILE A 40 2.870 -8.172 -2.609 1.00 0.00 C ATOM 0 H ILE A 40 -0.784 -9.222 -2.953 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.928 -6.964 -1.305 1.00 0.00 H new ATOM 0 HB ILE A 40 0.587 -7.344 -3.923 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.437 -7.890 -1.055 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.999 -9.121 -2.223 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.126 -5.647 -3.009 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.483 -4.997 -3.222 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.059 -5.444 -1.599 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.429 -8.913 -2.038 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.884 -8.442 -3.665 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.329 -7.192 -2.479 1.00 0.00 H new ATOM 676 N VAL A 41 -2.023 -6.536 -4.409 1.00 0.00 N ATOM 677 CA VAL A 41 -2.847 -5.684 -5.265 1.00 0.00 C ATOM 678 C VAL A 41 -4.267 -5.582 -4.707 1.00 0.00 C ATOM 679 O VAL A 41 -4.898 -4.523 -4.768 1.00 0.00 O ATOM 680 CB VAL A 41 -2.902 -6.220 -6.715 1.00 0.00 C ATOM 681 CG1 VAL A 41 -3.695 -5.282 -7.615 1.00 0.00 C ATOM 682 CG2 VAL A 41 -1.497 -6.421 -7.260 1.00 0.00 C ATOM 0 H VAL A 41 -1.674 -7.378 -4.866 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.388 -4.696 -5.280 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.411 -7.184 -6.701 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.718 -5.683 -8.628 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.714 -5.191 -7.238 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.222 -4.300 -7.624 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.553 -6.798 -8.281 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.965 -5.470 -7.254 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.964 -7.139 -6.637 1.00 0.00 H new ATOM 692 N LYS A 42 -4.747 -6.695 -4.161 1.00 0.00 N ATOM 693 CA LYS A 42 -6.077 -6.769 -3.567 1.00 0.00 C ATOM 694 C LYS A 42 -6.228 -5.733 -2.452 1.00 0.00 C ATOM 695 O LYS A 42 -7.216 -4.998 -2.399 1.00 0.00 O ATOM 696 CB LYS A 42 -6.295 -8.173 -2.994 1.00 0.00 C ATOM 697 CG LYS A 42 -7.730 -8.491 -2.615 1.00 0.00 C ATOM 698 CD LYS A 42 -7.807 -9.801 -1.851 1.00 0.00 C ATOM 699 CE LYS A 42 -9.233 -10.308 -1.750 1.00 0.00 C ATOM 700 NZ LYS A 42 -9.721 -10.826 -3.054 1.00 0.00 N ATOM 0 H LYS A 42 -4.225 -7.570 -4.118 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.820 -6.561 -4.337 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.957 -8.906 -3.727 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.666 -8.291 -2.111 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.137 -7.684 -2.005 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.344 -8.552 -3.514 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.189 -10.549 -2.348 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.398 -9.663 -0.850 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.287 -11.098 -1.001 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.884 -9.502 -1.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.583 -11.388 -2.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.934 -10.028 -3.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.988 -11.425 -3.486 1.00 0.00 H new ATOM 714 N ALA A 43 -5.226 -5.670 -1.578 1.00 0.00 N ATOM 715 CA ALA A 43 -5.230 -4.730 -0.463 1.00 0.00 C ATOM 716 C ALA A 43 -5.084 -3.293 -0.953 1.00 0.00 C ATOM 717 O ALA A 43 -5.810 -2.401 -0.510 1.00 0.00 O ATOM 718 CB ALA A 43 -4.121 -5.074 0.520 1.00 0.00 C ATOM 0 H ALA A 43 -4.397 -6.263 -1.622 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.190 -4.813 0.047 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.135 -4.365 1.347 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.275 -6.082 0.904 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.157 -5.022 0.014 1.00 0.00 H new ATOM 724 N GLU A 44 -4.158 -3.082 -1.884 1.00 0.00 N ATOM 725 CA GLU A 44 -3.884 -1.751 -2.423 1.00 0.00 C ATOM 726 C GLU A 44 -5.131 -1.147 -3.057 1.00 0.00 C ATOM 727 O GLU A 44 -5.470 0.008 -2.804 1.00 0.00 O ATOM 728 CB GLU A 44 -2.767 -1.823 -3.462 1.00 0.00 C ATOM 729 CG GLU A 44 -1.391 -2.078 -2.871 1.00 0.00 C ATOM 730 CD GLU A 44 -0.811 -0.855 -2.193 1.00 0.00 C ATOM 731 OE1 GLU A 44 -0.107 -0.069 -2.869 1.00 0.00 O ATOM 732 OE2 GLU A 44 -1.019 -0.666 -0.990 1.00 0.00 O ATOM 0 H GLU A 44 -3.580 -3.821 -2.284 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.572 -1.113 -1.596 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.998 -2.615 -4.175 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.744 -0.888 -4.021 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.455 -2.892 -2.149 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.715 -2.405 -3.661 1.00 0.00 H new ATOM 739 N LYS A 45 -5.821 -1.938 -3.868 1.00 0.00 N ATOM 740 CA LYS A 45 -7.004 -1.459 -4.565 1.00 0.00 C ATOM 741 C LYS A 45 -8.102 -1.078 -3.571 1.00 0.00 C ATOM 742 O LYS A 45 -8.798 -0.079 -3.762 1.00 0.00 O ATOM 743 CB LYS A 45 -7.513 -2.512 -5.551 1.00 0.00 C ATOM 744 CG LYS A 45 -8.666 -2.027 -6.411 1.00 0.00 C ATOM 745 CD LYS A 45 -9.022 -3.029 -7.497 1.00 0.00 C ATOM 746 CE LYS A 45 -9.465 -4.363 -6.916 1.00 0.00 C ATOM 747 NZ LYS A 45 -9.853 -5.322 -7.984 1.00 0.00 N ATOM 0 H LYS A 45 -5.582 -2.911 -4.058 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.729 -0.567 -5.128 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.692 -2.820 -6.198 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.830 -3.395 -4.996 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.538 -1.848 -5.782 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.402 -1.074 -6.869 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.819 -2.622 -8.119 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.159 -3.184 -8.145 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.657 -4.788 -6.321 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.308 -4.206 -6.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.150 -6.221 -7.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.641 -4.927 -8.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.041 -5.491 -8.611 1.00 0.00 H new ATOM 761 N GLN A 46 -8.241 -1.862 -2.506 1.00 0.00 N ATOM 762 CA GLN A 46 -9.216 -1.553 -1.469 1.00 0.00 C ATOM 763 C GLN A 46 -8.832 -0.257 -0.773 1.00 0.00 C ATOM 764 O GLN A 46 -9.685 0.580 -0.466 1.00 0.00 O ATOM 765 CB GLN A 46 -9.304 -2.682 -0.441 1.00 0.00 C ATOM 766 CG GLN A 46 -10.439 -2.489 0.556 1.00 0.00 C ATOM 767 CD GLN A 46 -10.553 -3.615 1.565 1.00 0.00 C ATOM 768 OE1 GLN A 46 -10.243 -4.770 1.274 1.00 0.00 O ATOM 769 NE2 GLN A 46 -11.007 -3.285 2.765 1.00 0.00 N ATOM 0 H GLN A 46 -7.696 -2.708 -2.340 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.192 -1.442 -1.941 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -9.441 -3.630 -0.961 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.360 -2.749 0.100 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.290 -1.549 1.087 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -11.380 -2.402 0.012 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -11.254 -2.316 2.968 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.110 -4.000 3.486 1.00 0.00 H new ATOM 778 N GLY A 47 -7.540 -0.100 -0.532 1.00 0.00 N ATOM 779 CA GLY A 47 -7.035 1.124 0.058 1.00 0.00 C ATOM 780 C GLY A 47 -7.322 2.336 -0.804 1.00 0.00 C ATOM 781 O GLY A 47 -7.821 3.347 -0.308 1.00 0.00 O ATOM 0 H GLY A 47 -6.828 -0.801 -0.735 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.485 1.264 1.041 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.959 1.035 0.210 1.00 0.00 H new ATOM 785 N VAL A 48 -7.047 2.227 -2.102 1.00 0.00 N ATOM 786 CA VAL A 48 -7.321 3.312 -3.044 1.00 0.00 C ATOM 787 C VAL A 48 -8.809 3.648 -3.055 1.00 0.00 C ATOM 788 O VAL A 48 -9.195 4.818 -3.090 1.00 0.00 O ATOM 789 CB VAL A 48 -6.870 2.945 -4.475 1.00 0.00 C ATOM 790 CG1 VAL A 48 -7.223 4.051 -5.459 1.00 0.00 C ATOM 791 CG2 VAL A 48 -5.378 2.660 -4.515 1.00 0.00 C ATOM 0 H VAL A 48 -6.634 1.397 -2.527 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.753 4.181 -2.712 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.403 2.041 -4.770 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.894 3.767 -6.459 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.302 4.205 -5.462 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.726 4.974 -5.162 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.084 2.404 -5.533 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.830 3.544 -4.190 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.149 1.827 -3.851 1.00 0.00 H new ATOM 801 N LYS A 49 -9.631 2.610 -2.998 1.00 0.00 N ATOM 802 CA LYS A 49 -11.081 2.755 -2.965 1.00 0.00 C ATOM 803 C LYS A 49 -11.502 3.669 -1.813 1.00 0.00 C ATOM 804 O LYS A 49 -12.300 4.594 -1.992 1.00 0.00 O ATOM 805 CB LYS A 49 -11.713 1.371 -2.808 1.00 0.00 C ATOM 806 CG LYS A 49 -13.223 1.339 -2.967 1.00 0.00 C ATOM 807 CD LYS A 49 -13.760 -0.067 -2.751 1.00 0.00 C ATOM 808 CE LYS A 49 -15.240 -0.169 -3.084 1.00 0.00 C ATOM 809 NZ LYS A 49 -15.511 0.144 -4.511 1.00 0.00 N ATOM 0 H LYS A 49 -9.312 1.642 -2.973 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.423 3.209 -3.895 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.270 0.699 -3.543 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.457 0.980 -1.823 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -13.683 2.022 -2.253 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.496 1.688 -3.963 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.200 -0.768 -3.370 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.601 -0.360 -1.713 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -15.594 -1.175 -2.860 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -15.803 0.515 -2.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -16.448 -0.222 -4.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -15.490 1.174 -4.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -14.785 -0.301 -5.108 1.00 0.00 H new ATOM 823 N VAL A 50 -10.948 3.409 -0.635 1.00 0.00 N ATOM 824 CA VAL A 50 -11.232 4.214 0.549 1.00 0.00 C ATOM 825 C VAL A 50 -10.569 5.588 0.459 1.00 0.00 C ATOM 826 O VAL A 50 -11.177 6.597 0.803 1.00 0.00 O ATOM 827 CB VAL A 50 -10.768 3.503 1.839 1.00 0.00 C ATOM 828 CG1 VAL A 50 -11.112 4.328 3.071 1.00 0.00 C ATOM 829 CG2 VAL A 50 -11.380 2.115 1.937 1.00 0.00 C ATOM 0 H VAL A 50 -10.295 2.642 -0.473 1.00 0.00 H new ATOM 0 HA VAL A 50 -12.313 4.345 0.589 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.684 3.399 1.794 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.774 3.804 3.965 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.617 5.297 3.009 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -12.191 4.474 3.122 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.040 1.631 2.853 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.467 2.197 1.951 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.072 1.520 1.077 1.00 0.00 H new ATOM 839 N TYR A 51 -9.322 5.626 -0.005 1.00 0.00 N ATOM 840 CA TYR A 51 -8.587 6.883 -0.114 1.00 0.00 C ATOM 841 C TYR A 51 -9.286 7.852 -1.069 1.00 0.00 C ATOM 842 O TYR A 51 -9.293 9.059 -0.836 1.00 0.00 O ATOM 843 CB TYR A 51 -7.144 6.638 -0.563 1.00 0.00 C ATOM 844 CG TYR A 51 -6.171 6.428 0.580 1.00 0.00 C ATOM 845 CD1 TYR A 51 -6.040 5.192 1.201 1.00 0.00 C ATOM 846 CD2 TYR A 51 -5.391 7.479 1.044 1.00 0.00 C ATOM 847 CE1 TYR A 51 -5.156 5.011 2.247 1.00 0.00 C ATOM 848 CE2 TYR A 51 -4.507 7.306 2.091 1.00 0.00 C ATOM 849 CZ TYR A 51 -4.394 6.071 2.688 1.00 0.00 C ATOM 850 OH TYR A 51 -3.521 5.892 3.732 1.00 0.00 O ATOM 0 H TYR A 51 -8.801 4.804 -0.310 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.566 7.338 0.876 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.120 5.763 -1.213 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.811 7.487 -1.159 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.639 4.360 0.861 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.477 8.449 0.578 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.063 4.043 2.717 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.908 8.135 2.439 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.059 6.735 3.920 1.00 0.00 H new ATOM 860 N LYS A 52 -9.877 7.322 -2.135 1.00 0.00 N ATOM 861 CA LYS A 52 -10.667 8.139 -3.052 1.00 0.00 C ATOM 862 C LYS A 52 -11.826 8.786 -2.301 1.00 0.00 C ATOM 863 O LYS A 52 -12.085 9.984 -2.435 1.00 0.00 O ATOM 864 CB LYS A 52 -11.204 7.280 -4.199 1.00 0.00 C ATOM 865 CG LYS A 52 -11.961 8.072 -5.255 1.00 0.00 C ATOM 866 CD LYS A 52 -11.048 9.022 -6.013 1.00 0.00 C ATOM 867 CE LYS A 52 -11.837 9.911 -6.964 1.00 0.00 C ATOM 868 NZ LYS A 52 -12.706 10.875 -6.236 1.00 0.00 N ATOM 0 H LYS A 52 -9.825 6.335 -2.385 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.029 8.919 -3.467 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -10.371 6.762 -4.674 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -11.863 6.515 -3.790 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -12.432 7.384 -5.957 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -12.761 8.639 -4.779 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.498 9.642 -5.305 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.311 8.449 -6.575 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.146 10.459 -7.605 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.452 9.289 -7.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.134 11.537 -6.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.457 10.357 -5.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.135 11.405 -5.547 1.00 0.00 H new ATOM 882 N GLU A 53 -12.494 7.975 -1.494 1.00 0.00 N ATOM 883 CA GLU A 53 -13.588 8.425 -0.655 1.00 0.00 C ATOM 884 C GLU A 53 -13.104 9.445 0.373 1.00 0.00 C ATOM 885 O GLU A 53 -13.745 10.472 0.594 1.00 0.00 O ATOM 886 CB GLU A 53 -14.205 7.214 0.041 1.00 0.00 C ATOM 887 CG GLU A 53 -15.106 6.384 -0.859 1.00 0.00 C ATOM 888 CD GLU A 53 -16.392 7.098 -1.226 1.00 0.00 C ATOM 889 OE1 GLU A 53 -17.301 7.170 -0.372 1.00 0.00 O ATOM 890 OE2 GLU A 53 -16.508 7.576 -2.372 1.00 0.00 O ATOM 0 H GLU A 53 -12.289 6.980 -1.404 1.00 0.00 H new ATOM 0 HA GLU A 53 -14.339 8.915 -1.275 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -13.405 6.580 0.424 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.781 7.555 0.901 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -14.565 6.129 -1.770 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -15.347 5.446 -0.358 1.00 0.00 H new ATOM 897 N ALA A 54 -11.961 9.159 0.986 1.00 0.00 N ATOM 898 CA ALA A 54 -11.382 10.030 2.000 1.00 0.00 C ATOM 899 C ALA A 54 -11.015 11.389 1.412 1.00 0.00 C ATOM 900 O ALA A 54 -11.192 12.421 2.058 1.00 0.00 O ATOM 901 CB ALA A 54 -10.160 9.369 2.625 1.00 0.00 C ATOM 0 H ALA A 54 -11.412 8.321 0.795 1.00 0.00 H new ATOM 0 HA ALA A 54 -12.129 10.193 2.777 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -9.736 10.030 3.381 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -10.453 8.427 3.089 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.415 9.177 1.853 1.00 0.00 H new ATOM 907 N ALA A 55 -10.515 11.387 0.183 1.00 0.00 N ATOM 908 CA ALA A 55 -10.154 12.624 -0.498 1.00 0.00 C ATOM 909 C ALA A 55 -11.375 13.511 -0.705 1.00 0.00 C ATOM 910 O ALA A 55 -11.297 14.735 -0.583 1.00 0.00 O ATOM 911 CB ALA A 55 -9.499 12.320 -1.832 1.00 0.00 C ATOM 0 H ALA A 55 -10.350 10.542 -0.363 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.444 13.161 0.132 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.235 13.254 -2.329 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.598 11.729 -1.669 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -10.193 11.759 -2.458 1.00 0.00 H new ATOM 917 N GLU A 56 -12.505 12.882 -1.005 1.00 0.00 N ATOM 918 CA GLU A 56 -13.748 13.603 -1.237 1.00 0.00 C ATOM 919 C GLU A 56 -14.405 13.981 0.088 1.00 0.00 C ATOM 920 O GLU A 56 -15.234 14.891 0.149 1.00 0.00 O ATOM 921 CB GLU A 56 -14.692 12.766 -2.104 1.00 0.00 C ATOM 922 CG GLU A 56 -14.105 12.447 -3.469 1.00 0.00 C ATOM 923 CD GLU A 56 -15.029 11.626 -4.340 1.00 0.00 C ATOM 924 OE1 GLU A 56 -15.963 12.203 -4.931 1.00 0.00 O ATOM 925 OE2 GLU A 56 -14.812 10.400 -4.461 1.00 0.00 O ATOM 0 H GLU A 56 -12.585 11.869 -1.093 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.524 14.526 -1.772 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -14.925 11.835 -1.587 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.632 13.303 -2.233 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.867 13.379 -3.981 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.167 11.908 -3.337 1.00 0.00 H new ATOM 932 N LYS A 57 -14.020 13.281 1.149 1.00 0.00 N ATOM 933 CA LYS A 57 -14.464 13.616 2.494 1.00 0.00 C ATOM 934 C LYS A 57 -13.683 14.803 3.041 1.00 0.00 C ATOM 935 O LYS A 57 -14.246 15.666 3.714 1.00 0.00 O ATOM 936 CB LYS A 57 -14.300 12.425 3.436 1.00 0.00 C ATOM 937 CG LYS A 57 -15.479 11.473 3.448 1.00 0.00 C ATOM 938 CD LYS A 57 -15.238 10.323 4.410 1.00 0.00 C ATOM 939 CE LYS A 57 -16.519 9.575 4.724 1.00 0.00 C ATOM 940 NZ LYS A 57 -17.495 10.426 5.457 1.00 0.00 N ATOM 0 H LYS A 57 -13.398 12.474 1.101 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.520 13.879 2.435 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -13.405 11.872 3.152 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.138 12.796 4.448 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.382 12.010 3.737 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.647 11.083 2.444 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.511 9.635 3.979 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.805 10.706 5.334 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -16.970 9.223 3.796 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -16.287 8.693 5.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -18.167 9.820 5.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -16.988 11.031 6.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.013 11.022 4.780 1.00 0.00 H new ATOM 954 N ALA A 58 -12.383 14.831 2.748 1.00 0.00 N ATOM 955 CA ALA A 58 -11.501 15.899 3.207 1.00 0.00 C ATOM 956 C ALA A 58 -12.054 17.271 2.836 1.00 0.00 C ATOM 957 O ALA A 58 -12.059 17.657 1.667 1.00 0.00 O ATOM 958 CB ALA A 58 -10.102 15.716 2.633 1.00 0.00 C ATOM 0 H ALA A 58 -11.916 14.117 2.189 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.444 15.844 4.294 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.456 16.521 2.985 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.698 14.758 2.959 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -10.150 15.739 1.544 1.00 0.00 H new ATOM 964 N ARG A 59 -12.518 17.994 3.846 1.00 0.00 N ATOM 965 CA ARG A 59 -13.144 19.296 3.649 1.00 0.00 C ATOM 966 C ARG A 59 -12.108 20.415 3.693 1.00 0.00 C ATOM 967 O ARG A 59 -12.457 21.593 3.778 1.00 0.00 O ATOM 968 CB ARG A 59 -14.221 19.519 4.711 1.00 0.00 C ATOM 969 CG ARG A 59 -15.319 18.470 4.668 1.00 0.00 C ATOM 970 CD ARG A 59 -16.312 18.630 5.807 1.00 0.00 C ATOM 971 NE ARG A 59 -17.016 19.911 5.762 1.00 0.00 N ATOM 972 CZ ARG A 59 -18.314 20.038 5.482 1.00 0.00 C ATOM 973 NH1 ARG A 59 -19.029 18.977 5.131 1.00 0.00 N ATOM 974 NH2 ARG A 59 -18.885 21.233 5.531 1.00 0.00 N ATOM 0 H ARG A 59 -12.472 17.697 4.821 1.00 0.00 H new ATOM 0 HA ARG A 59 -13.608 19.312 2.663 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -13.758 19.513 5.698 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.662 20.506 4.572 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -15.846 18.538 3.717 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -14.872 17.477 4.715 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -17.039 17.818 5.768 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -15.786 18.541 6.758 1.00 0.00 H new ATOM 0 HE ARG A 59 -16.482 20.758 5.956 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -18.586 18.060 5.074 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -20.021 19.079 4.918 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -18.332 22.052 5.782 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -19.877 21.333 5.317 1.00 0.00 H new ATOM 988 N ASN A 60 -10.836 20.040 3.640 1.00 0.00 N ATOM 989 CA ASN A 60 -9.755 21.011 3.552 1.00 0.00 C ATOM 990 C ASN A 60 -8.700 20.496 2.580 1.00 0.00 C ATOM 991 O ASN A 60 -8.214 19.369 2.724 1.00 0.00 O ATOM 992 CB ASN A 60 -9.146 21.286 4.930 1.00 0.00 C ATOM 993 CG ASN A 60 -8.293 22.543 4.938 1.00 0.00 C ATOM 994 OD1 ASN A 60 -8.806 23.650 5.094 1.00 0.00 O ATOM 995 ND2 ASN A 60 -6.986 22.376 4.811 1.00 0.00 N ATOM 0 H ASN A 60 -10.528 19.068 3.657 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.153 21.956 3.183 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.944 21.386 5.665 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.538 20.434 5.234 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.363 23.183 4.841 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.601 21.440 4.683 1.00 0.00 H new ATOM 1002 N PRO A 61 -8.342 21.310 1.573 1.00 0.00 N ATOM 1003 CA PRO A 61 -7.513 20.878 0.434 1.00 0.00 C ATOM 1004 C PRO A 61 -6.122 20.370 0.813 1.00 0.00 C ATOM 1005 O PRO A 61 -5.551 19.555 0.090 1.00 0.00 O ATOM 1006 CB PRO A 61 -7.394 22.142 -0.428 1.00 0.00 C ATOM 1007 CG PRO A 61 -7.724 23.271 0.484 1.00 0.00 C ATOM 1008 CD PRO A 61 -8.726 22.728 1.458 1.00 0.00 C ATOM 0 HA PRO A 61 -7.975 20.026 -0.065 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.389 22.247 -0.836 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.080 22.107 -1.275 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -6.833 23.631 0.999 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.135 24.115 -0.071 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.673 23.240 2.419 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.747 22.841 1.092 1.00 0.00 H new ATOM 1016 N GLU A 62 -5.581 20.835 1.935 1.00 0.00 N ATOM 1017 CA GLU A 62 -4.211 20.488 2.312 1.00 0.00 C ATOM 1018 C GLU A 62 -4.047 18.990 2.496 1.00 0.00 C ATOM 1019 O GLU A 62 -3.128 18.378 1.952 1.00 0.00 O ATOM 1020 CB GLU A 62 -3.840 21.165 3.622 1.00 0.00 C ATOM 1021 CG GLU A 62 -2.353 21.110 3.933 1.00 0.00 C ATOM 1022 CD GLU A 62 -2.035 21.495 5.361 1.00 0.00 C ATOM 1023 OE1 GLU A 62 -2.123 22.694 5.696 1.00 0.00 O ATOM 1024 OE2 GLU A 62 -1.695 20.597 6.160 1.00 0.00 O ATOM 0 H GLU A 62 -6.062 21.447 2.594 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.561 20.826 1.505 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.157 22.207 3.586 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.391 20.692 4.435 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.984 20.102 3.743 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.820 21.777 3.255 1.00 0.00 H new ATOM 1031 N LYS A 63 -4.967 18.401 3.230 1.00 0.00 N ATOM 1032 CA LYS A 63 -4.908 16.973 3.492 1.00 0.00 C ATOM 1033 C LYS A 63 -5.388 16.190 2.280 1.00 0.00 C ATOM 1034 O LYS A 63 -4.964 15.059 2.054 1.00 0.00 O ATOM 1035 CB LYS A 63 -5.708 16.608 4.745 1.00 0.00 C ATOM 1036 CG LYS A 63 -5.069 17.144 6.021 1.00 0.00 C ATOM 1037 CD LYS A 63 -5.727 16.600 7.282 1.00 0.00 C ATOM 1038 CE LYS A 63 -7.085 17.227 7.540 1.00 0.00 C ATOM 1039 NZ LYS A 63 -7.637 16.807 8.858 1.00 0.00 N ATOM 0 H LYS A 63 -5.760 18.882 3.654 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.869 16.702 3.680 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.719 17.004 4.655 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.795 15.524 4.814 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.010 16.885 6.028 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.131 18.232 6.024 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.839 15.519 7.193 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.076 16.784 8.137 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.997 18.313 7.510 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.776 16.941 6.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.565 17.253 9.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.743 15.773 8.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.989 17.102 9.616 1.00 0.00 H new ATOM 1053 N ARG A 64 -6.244 16.811 1.480 1.00 0.00 N ATOM 1054 CA ARG A 64 -6.709 16.195 0.247 1.00 0.00 C ATOM 1055 C ARG A 64 -5.551 16.055 -0.741 1.00 0.00 C ATOM 1056 O ARG A 64 -5.453 15.063 -1.464 1.00 0.00 O ATOM 1057 CB ARG A 64 -7.838 17.020 -0.376 1.00 0.00 C ATOM 1058 CG ARG A 64 -8.380 16.426 -1.668 1.00 0.00 C ATOM 1059 CD ARG A 64 -9.434 17.317 -2.302 1.00 0.00 C ATOM 1060 NE ARG A 64 -10.626 17.455 -1.461 1.00 0.00 N ATOM 1061 CZ ARG A 64 -11.715 18.131 -1.825 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -11.763 18.729 -3.006 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -12.751 18.222 -0.999 1.00 0.00 N ATOM 0 H ARG A 64 -6.629 17.738 1.663 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.096 15.203 0.481 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.652 17.109 0.343 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.475 18.029 -0.573 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.560 16.277 -2.371 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.809 15.445 -1.465 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.008 18.303 -2.489 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.721 16.905 -3.269 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.622 17.008 -0.544 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.965 18.673 -3.639 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.598 19.246 -3.282 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.714 17.774 -0.083 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -13.583 18.740 -1.280 1.00 0.00 H new ATOM 1077 N GLN A 65 -4.667 17.048 -0.751 1.00 0.00 N ATOM 1078 CA GLN A 65 -3.506 17.043 -1.633 1.00 0.00 C ATOM 1079 C GLN A 65 -2.581 15.889 -1.277 1.00 0.00 C ATOM 1080 O GLN A 65 -2.027 15.227 -2.155 1.00 0.00 O ATOM 1081 CB GLN A 65 -2.754 18.371 -1.517 1.00 0.00 C ATOM 1082 CG GLN A 65 -2.322 18.952 -2.854 1.00 0.00 C ATOM 1083 CD GLN A 65 -3.495 19.443 -3.683 1.00 0.00 C ATOM 1084 OE1 GLN A 65 -4.060 18.704 -4.491 1.00 0.00 O ATOM 1085 NE2 GLN A 65 -3.868 20.697 -3.486 1.00 0.00 N ATOM 0 H GLN A 65 -4.734 17.872 -0.153 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.847 16.917 -2.661 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.390 19.094 -1.006 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -1.872 18.225 -0.893 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -1.633 19.778 -2.681 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -1.776 18.194 -3.416 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.373 21.276 -2.807 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -4.650 21.085 -4.013 1.00 0.00 H new ATOM 1094 N VAL A 66 -2.431 15.644 0.018 1.00 0.00 N ATOM 1095 CA VAL A 66 -1.636 14.523 0.495 1.00 0.00 C ATOM 1096 C VAL A 66 -2.277 13.208 0.066 1.00 0.00 C ATOM 1097 O VAL A 66 -1.592 12.292 -0.389 1.00 0.00 O ATOM 1098 CB VAL A 66 -1.481 14.548 2.030 1.00 0.00 C ATOM 1099 CG1 VAL A 66 -0.602 13.398 2.503 1.00 0.00 C ATOM 1100 CG2 VAL A 66 -0.913 15.884 2.488 1.00 0.00 C ATOM 0 H VAL A 66 -2.851 16.208 0.757 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.643 14.610 0.053 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.468 14.425 2.475 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.507 13.435 3.588 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.054 12.450 2.211 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.385 13.484 2.049 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.811 15.883 3.573 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.065 16.039 2.032 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.586 16.687 2.188 1.00 0.00 H new ATOM 1110 N ILE A 67 -3.596 13.133 0.196 1.00 0.00 N ATOM 1111 CA ILE A 67 -4.343 11.943 -0.197 1.00 0.00 C ATOM 1112 C ILE A 67 -4.201 11.676 -1.695 1.00 0.00 C ATOM 1113 O ILE A 67 -3.967 10.544 -2.100 1.00 0.00 O ATOM 1114 CB ILE A 67 -5.838 12.063 0.175 1.00 0.00 C ATOM 1115 CG1 ILE A 67 -5.991 12.188 1.693 1.00 0.00 C ATOM 1116 CG2 ILE A 67 -6.620 10.861 -0.338 1.00 0.00 C ATOM 1117 CD1 ILE A 67 -7.414 12.426 2.150 1.00 0.00 C ATOM 0 H ILE A 67 -4.173 13.885 0.572 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.919 11.103 0.353 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.242 12.959 -0.297 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.617 11.278 2.162 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.365 13.008 2.045 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.670 10.966 -0.065 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.531 10.805 -1.423 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -6.219 9.950 0.106 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.439 12.503 3.237 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.787 13.352 1.712 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -8.043 11.595 1.831 1.00 0.00 H new ATOM 1129 N ASP A 68 -4.332 12.724 -2.508 1.00 0.00 N ATOM 1130 CA ASP A 68 -4.141 12.605 -3.958 1.00 0.00 C ATOM 1131 C ASP A 68 -2.727 12.150 -4.273 1.00 0.00 C ATOM 1132 O ASP A 68 -2.505 11.314 -5.154 1.00 0.00 O ATOM 1133 CB ASP A 68 -4.406 13.941 -4.651 1.00 0.00 C ATOM 1134 CG ASP A 68 -4.167 13.883 -6.152 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -5.089 13.493 -6.902 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -3.059 14.246 -6.596 1.00 0.00 O ATOM 0 H ASP A 68 -4.569 13.664 -2.191 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.850 11.864 -4.328 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.436 14.245 -4.463 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.763 14.706 -4.214 1.00 0.00 H new ATOM 1141 N LYS A 69 -1.773 12.708 -3.545 1.00 0.00 N ATOM 1142 CA LYS A 69 -0.376 12.306 -3.676 1.00 0.00 C ATOM 1143 C LYS A 69 -0.219 10.810 -3.388 1.00 0.00 C ATOM 1144 O LYS A 69 0.433 10.088 -4.145 1.00 0.00 O ATOM 1145 CB LYS A 69 0.497 13.122 -2.718 1.00 0.00 C ATOM 1146 CG LYS A 69 1.988 12.860 -2.860 1.00 0.00 C ATOM 1147 CD LYS A 69 2.782 13.654 -1.834 1.00 0.00 C ATOM 1148 CE LYS A 69 4.275 13.416 -1.979 1.00 0.00 C ATOM 1149 NZ LYS A 69 5.060 14.157 -0.954 1.00 0.00 N ATOM 0 H LYS A 69 -1.938 13.442 -2.856 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.054 12.497 -4.700 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.308 14.182 -2.885 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.196 12.902 -1.694 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.187 11.796 -2.735 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.314 13.129 -3.865 1.00 0.00 H new ATOM 0 HD2 LYS A 69 2.569 14.717 -1.951 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.464 13.374 -0.830 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.482 12.349 -1.893 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.596 13.724 -2.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 6.074 13.967 -1.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.883 15.177 -1.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.773 13.845 -0.004 1.00 0.00 H new ATOM 1163 N ILE A 70 -0.853 10.349 -2.315 1.00 0.00 N ATOM 1164 CA ILE A 70 -0.823 8.938 -1.950 1.00 0.00 C ATOM 1165 C ILE A 70 -1.590 8.097 -2.972 1.00 0.00 C ATOM 1166 O ILE A 70 -1.157 7.005 -3.335 1.00 0.00 O ATOM 1167 CB ILE A 70 -1.409 8.702 -0.537 1.00 0.00 C ATOM 1168 CG1 ILE A 70 -0.586 9.459 0.513 1.00 0.00 C ATOM 1169 CG2 ILE A 70 -1.446 7.211 -0.206 1.00 0.00 C ATOM 1170 CD1 ILE A 70 -1.141 9.351 1.916 1.00 0.00 C ATOM 0 H ILE A 70 -1.396 10.935 -1.681 1.00 0.00 H new ATOM 0 HA ILE A 70 0.222 8.630 -1.944 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.431 9.081 -0.524 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.435 9.077 0.506 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.535 10.511 0.232 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.862 7.070 0.792 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.068 6.692 -0.935 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.435 6.806 -0.238 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.506 9.911 2.602 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.151 9.760 1.940 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.166 8.304 2.218 1.00 0.00 H new ATOM 1182 N LEU A 71 -2.712 8.626 -3.449 1.00 0.00 N ATOM 1183 CA LEU A 71 -3.540 7.950 -4.436 1.00 0.00 C ATOM 1184 C LEU A 71 -2.737 7.615 -5.685 1.00 0.00 C ATOM 1185 O LEU A 71 -2.808 6.499 -6.200 1.00 0.00 O ATOM 1186 CB LEU A 71 -4.730 8.840 -4.801 1.00 0.00 C ATOM 1187 CG LEU A 71 -5.927 8.757 -3.852 1.00 0.00 C ATOM 1188 CD1 LEU A 71 -6.985 9.776 -4.245 1.00 0.00 C ATOM 1189 CD2 LEU A 71 -6.512 7.355 -3.867 1.00 0.00 C ATOM 0 H LEU A 71 -3.071 9.536 -3.161 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.901 7.016 -4.006 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.390 9.875 -4.840 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.065 8.577 -5.804 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.588 8.983 -2.841 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.830 9.705 -3.561 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.561 10.779 -4.195 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.323 9.576 -5.262 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.363 7.309 -3.188 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.840 7.108 -4.877 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.753 6.641 -3.547 1.00 0.00 H new ATOM 1201 N GLU A 72 -1.964 8.585 -6.154 1.00 0.00 N ATOM 1202 CA GLU A 72 -1.108 8.387 -7.315 1.00 0.00 C ATOM 1203 C GLU A 72 -0.057 7.330 -7.026 1.00 0.00 C ATOM 1204 O GLU A 72 0.187 6.448 -7.843 1.00 0.00 O ATOM 1205 CB GLU A 72 -0.409 9.694 -7.675 1.00 0.00 C ATOM 1206 CG GLU A 72 0.441 9.602 -8.930 1.00 0.00 C ATOM 1207 CD GLU A 72 1.342 10.802 -9.111 1.00 0.00 C ATOM 1208 OE1 GLU A 72 0.872 11.827 -9.649 1.00 0.00 O ATOM 1209 OE2 GLU A 72 2.526 10.728 -8.718 1.00 0.00 O ATOM 0 H GLU A 72 -1.912 9.519 -5.747 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.731 8.059 -8.147 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.160 10.473 -7.811 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.222 10.001 -6.841 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.049 8.699 -8.887 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.210 9.507 -9.799 1.00 0.00 H new ATOM 1216 N ASP A 73 0.557 7.428 -5.856 1.00 0.00 N ATOM 1217 CA ASP A 73 1.615 6.497 -5.468 1.00 0.00 C ATOM 1218 C ASP A 73 1.081 5.082 -5.290 1.00 0.00 C ATOM 1219 O ASP A 73 1.741 4.123 -5.672 1.00 0.00 O ATOM 1220 CB ASP A 73 2.338 6.958 -4.198 1.00 0.00 C ATOM 1221 CG ASP A 73 3.283 8.116 -4.467 1.00 0.00 C ATOM 1222 OD1 ASP A 73 3.948 8.113 -5.530 1.00 0.00 O ATOM 1223 OD2 ASP A 73 3.366 9.035 -3.627 1.00 0.00 O ATOM 0 H ASP A 73 0.344 8.140 -5.158 1.00 0.00 H new ATOM 0 HA ASP A 73 2.338 6.487 -6.284 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.603 7.257 -3.451 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.899 6.123 -3.777 1.00 0.00 H new ATOM 1228 N GLU A 74 -0.110 4.940 -4.729 1.00 0.00 N ATOM 1229 CA GLU A 74 -0.705 3.617 -4.577 1.00 0.00 C ATOM 1230 C GLU A 74 -1.069 3.036 -5.943 1.00 0.00 C ATOM 1231 O GLU A 74 -0.807 1.865 -6.215 1.00 0.00 O ATOM 1232 CB GLU A 74 -1.930 3.657 -3.658 1.00 0.00 C ATOM 1233 CG GLU A 74 -1.633 4.149 -2.247 1.00 0.00 C ATOM 1234 CD GLU A 74 -0.627 3.293 -1.486 1.00 0.00 C ATOM 1235 OE1 GLU A 74 -0.066 2.332 -2.067 1.00 0.00 O ATOM 1236 OE2 GLU A 74 -0.376 3.589 -0.291 1.00 0.00 O ATOM 0 H GLU A 74 -0.678 5.710 -4.376 1.00 0.00 H new ATOM 0 HA GLU A 74 0.035 2.967 -4.109 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.685 4.303 -4.105 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.360 2.657 -3.600 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.256 5.170 -2.302 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.565 4.183 -1.682 1.00 0.00 H new ATOM 1243 N GLU A 75 -1.651 3.869 -6.808 1.00 0.00 N ATOM 1244 CA GLU A 75 -1.918 3.474 -8.189 1.00 0.00 C ATOM 1245 C GLU A 75 -0.611 3.139 -8.906 1.00 0.00 C ATOM 1246 O GLU A 75 -0.545 2.238 -9.746 1.00 0.00 O ATOM 1247 CB GLU A 75 -2.656 4.596 -8.939 1.00 0.00 C ATOM 1248 CG GLU A 75 -4.173 4.574 -8.771 1.00 0.00 C ATOM 1249 CD GLU A 75 -4.768 3.180 -8.901 1.00 0.00 C ATOM 1250 OE1 GLU A 75 -4.147 2.316 -9.551 1.00 0.00 O ATOM 1251 OE2 GLU A 75 -5.816 2.929 -8.282 1.00 0.00 O ATOM 0 H GLU A 75 -1.945 4.818 -6.576 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.552 2.588 -8.176 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.278 5.558 -8.592 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.419 4.524 -10.000 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.430 4.983 -7.794 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.625 5.226 -9.518 1.00 0.00 H new ATOM 1258 N LYS A 76 0.428 3.879 -8.547 1.00 0.00 N ATOM 1259 CA LYS A 76 1.769 3.676 -9.073 1.00 0.00 C ATOM 1260 C LYS A 76 2.288 2.303 -8.659 1.00 0.00 C ATOM 1261 O LYS A 76 2.870 1.579 -9.463 1.00 0.00 O ATOM 1262 CB LYS A 76 2.671 4.784 -8.526 1.00 0.00 C ATOM 1263 CG LYS A 76 3.966 5.008 -9.279 1.00 0.00 C ATOM 1264 CD LYS A 76 4.649 6.273 -8.776 1.00 0.00 C ATOM 1265 CE LYS A 76 3.729 7.480 -8.913 1.00 0.00 C ATOM 1266 NZ LYS A 76 4.226 8.669 -8.169 1.00 0.00 N ATOM 0 H LYS A 76 0.363 4.644 -7.876 1.00 0.00 H new ATOM 0 HA LYS A 76 1.760 3.716 -10.162 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.108 5.717 -8.523 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.911 4.553 -7.488 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.626 4.151 -9.146 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.765 5.093 -10.347 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.935 6.146 -7.732 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.566 6.444 -9.339 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.625 7.734 -9.968 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.736 7.218 -8.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.833 9.533 -8.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.929 8.605 -7.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 5.264 8.701 -8.219 1.00 0.00 H new ATOM 1280 N HIS A 77 2.051 1.951 -7.397 1.00 0.00 N ATOM 1281 CA HIS A 77 2.427 0.642 -6.869 1.00 0.00 C ATOM 1282 C HIS A 77 1.713 -0.463 -7.635 1.00 0.00 C ATOM 1283 O HIS A 77 2.327 -1.456 -8.033 1.00 0.00 O ATOM 1284 CB HIS A 77 2.083 0.533 -5.379 1.00 0.00 C ATOM 1285 CG HIS A 77 2.824 1.498 -4.504 1.00 0.00 C ATOM 1286 ND1 HIS A 77 2.349 1.859 -3.260 1.00 0.00 N ATOM 1287 CD2 HIS A 77 3.986 2.148 -4.740 1.00 0.00 C ATOM 1288 CE1 HIS A 77 3.237 2.721 -2.779 1.00 0.00 C ATOM 1289 NE2 HIS A 77 4.241 2.923 -3.643 1.00 0.00 N ATOM 0 H HIS A 77 1.597 2.560 -6.717 1.00 0.00 H new ATOM 0 HA HIS A 77 3.504 0.530 -6.991 1.00 0.00 H new ATOM 0 HB2 HIS A 77 1.012 0.694 -5.252 1.00 0.00 H new ATOM 0 HB3 HIS A 77 2.295 -0.482 -5.042 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.597 2.070 -5.627 1.00 0.00 H new ATOM 0 HE1 HIS A 77 3.160 3.199 -1.814 1.00 0.00 H new ATOM 0 HE2 HIS A 77 5.043 3.538 -3.508 1.00 0.00 H new ATOM 1297 N ILE A 78 0.414 -0.279 -7.845 1.00 0.00 N ATOM 1298 CA ILE A 78 -0.384 -1.233 -8.602 1.00 0.00 C ATOM 1299 C ILE A 78 0.182 -1.400 -10.011 1.00 0.00 C ATOM 1300 O ILE A 78 0.280 -2.516 -10.515 1.00 0.00 O ATOM 1301 CB ILE A 78 -1.867 -0.801 -8.674 1.00 0.00 C ATOM 1302 CG1 ILE A 78 -2.447 -0.680 -7.262 1.00 0.00 C ATOM 1303 CG2 ILE A 78 -2.680 -1.793 -9.501 1.00 0.00 C ATOM 1304 CD1 ILE A 78 -3.887 -0.213 -7.225 1.00 0.00 C ATOM 0 H ILE A 78 -0.109 0.526 -7.500 1.00 0.00 H new ATOM 0 HA ILE A 78 -0.337 -2.190 -8.082 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.921 0.172 -9.162 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.377 -1.649 -6.768 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -1.835 0.016 -6.688 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.720 -1.469 -9.538 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.278 -1.839 -10.513 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.624 -2.781 -9.043 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.224 -0.153 -6.190 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.963 0.771 -7.689 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.513 -0.920 -7.770 1.00 0.00 H new ATOM 1316 N GLU A 79 0.580 -0.286 -10.623 1.00 0.00 N ATOM 1317 CA GLU A 79 1.206 -0.308 -11.941 1.00 0.00 C ATOM 1318 C GLU A 79 2.485 -1.142 -11.934 1.00 0.00 C ATOM 1319 O GLU A 79 2.738 -1.910 -12.866 1.00 0.00 O ATOM 1320 CB GLU A 79 1.510 1.114 -12.406 1.00 0.00 C ATOM 1321 CG GLU A 79 0.347 1.785 -13.114 1.00 0.00 C ATOM 1322 CD GLU A 79 0.084 1.177 -14.477 1.00 0.00 C ATOM 1323 OE1 GLU A 79 -0.568 0.117 -14.549 1.00 0.00 O ATOM 1324 OE2 GLU A 79 0.549 1.750 -15.484 1.00 0.00 O ATOM 0 H GLU A 79 0.479 0.647 -10.223 1.00 0.00 H new ATOM 0 HA GLU A 79 0.505 -0.770 -12.637 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.795 1.716 -11.543 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.369 1.092 -13.077 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.549 1.699 -12.500 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.556 2.849 -13.226 1.00 0.00 H new ATOM 1331 N TRP A 80 3.281 -0.991 -10.882 1.00 0.00 N ATOM 1332 CA TRP A 80 4.520 -1.749 -10.747 1.00 0.00 C ATOM 1333 C TRP A 80 4.224 -3.243 -10.704 1.00 0.00 C ATOM 1334 O TRP A 80 4.880 -4.040 -11.379 1.00 0.00 O ATOM 1335 CB TRP A 80 5.275 -1.348 -9.476 1.00 0.00 C ATOM 1336 CG TRP A 80 5.767 0.070 -9.457 1.00 0.00 C ATOM 1337 CD1 TRP A 80 5.859 0.931 -10.512 1.00 0.00 C ATOM 1338 CD2 TRP A 80 6.257 0.780 -8.314 1.00 0.00 C ATOM 1339 NE1 TRP A 80 6.365 2.137 -10.092 1.00 0.00 N ATOM 1340 CE2 TRP A 80 6.618 2.068 -8.745 1.00 0.00 C ATOM 1341 CE3 TRP A 80 6.421 0.449 -6.967 1.00 0.00 C ATOM 1342 CZ2 TRP A 80 7.133 3.028 -7.876 1.00 0.00 C ATOM 1343 CZ3 TRP A 80 6.934 1.400 -6.105 1.00 0.00 C ATOM 1344 CH2 TRP A 80 7.282 2.675 -6.562 1.00 0.00 C ATOM 0 H TRP A 80 3.091 -0.351 -10.110 1.00 0.00 H new ATOM 0 HA TRP A 80 5.143 -1.524 -11.613 1.00 0.00 H new ATOM 0 HB2 TRP A 80 4.621 -1.502 -8.618 1.00 0.00 H new ATOM 0 HB3 TRP A 80 6.128 -2.015 -9.351 1.00 0.00 H new ATOM 0 HD1 TRP A 80 5.576 0.698 -11.528 1.00 0.00 H new ATOM 0 HE1 TRP A 80 6.526 2.951 -10.685 1.00 0.00 H new ATOM 0 HE3 TRP A 80 6.152 -0.532 -6.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 7.404 4.013 -8.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 7.068 1.154 -5.062 1.00 0.00 H new ATOM 0 HH2 TRP A 80 7.677 3.397 -5.863 1.00 0.00 H new ATOM 1355 N HIS A 81 3.217 -3.614 -9.922 1.00 0.00 N ATOM 1356 CA HIS A 81 2.836 -5.014 -9.783 1.00 0.00 C ATOM 1357 C HIS A 81 2.246 -5.555 -11.080 1.00 0.00 C ATOM 1358 O HIS A 81 2.437 -6.725 -11.407 1.00 0.00 O ATOM 1359 CB HIS A 81 1.849 -5.203 -8.626 1.00 0.00 C ATOM 1360 CG HIS A 81 2.499 -5.127 -7.277 1.00 0.00 C ATOM 1361 ND1 HIS A 81 3.059 -6.210 -6.632 1.00 0.00 N ATOM 1362 CD2 HIS A 81 2.696 -4.064 -6.458 1.00 0.00 C ATOM 1363 CE1 HIS A 81 3.575 -5.778 -5.475 1.00 0.00 C ATOM 1364 NE2 HIS A 81 3.381 -4.484 -5.320 1.00 0.00 N ATOM 0 H HIS A 81 2.650 -2.966 -9.375 1.00 0.00 H new ATOM 0 HA HIS A 81 3.740 -5.580 -9.558 1.00 0.00 H new ATOM 0 HB2 HIS A 81 1.072 -4.441 -8.691 1.00 0.00 H new ATOM 0 HB3 HIS A 81 1.357 -6.170 -8.731 1.00 0.00 H new ATOM 0 HD1 HIS A 81 3.077 -7.170 -6.976 1.00 0.00 H new ATOM 0 HD2 HIS A 81 2.373 -3.053 -6.657 1.00 0.00 H new ATOM 0 HE1 HIS A 81 4.084 -6.408 -4.761 1.00 0.00 H new ATOM 1372 N LYS A 82 1.535 -4.704 -11.817 1.00 0.00 N ATOM 1373 CA LYS A 82 0.982 -5.092 -13.114 1.00 0.00 C ATOM 1374 C LYS A 82 2.099 -5.499 -14.065 1.00 0.00 C ATOM 1375 O LYS A 82 2.062 -6.577 -14.662 1.00 0.00 O ATOM 1376 CB LYS A 82 0.178 -3.945 -13.741 1.00 0.00 C ATOM 1377 CG LYS A 82 -1.101 -3.597 -12.998 1.00 0.00 C ATOM 1378 CD LYS A 82 -2.103 -4.739 -13.025 1.00 0.00 C ATOM 1379 CE LYS A 82 -3.452 -4.303 -12.473 1.00 0.00 C ATOM 1380 NZ LYS A 82 -4.036 -3.189 -13.267 1.00 0.00 N ATOM 0 H LYS A 82 1.328 -3.744 -11.540 1.00 0.00 H new ATOM 0 HA LYS A 82 0.315 -5.938 -12.948 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.810 -3.058 -13.788 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.073 -4.212 -14.767 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.863 -3.348 -11.964 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.550 -2.710 -13.445 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.224 -5.095 -14.048 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.721 -5.575 -12.439 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -4.138 -5.150 -12.476 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.337 -3.989 -11.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -5.061 -3.141 -13.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.595 -2.291 -12.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.861 -3.355 -14.279 1.00 0.00 H new ATOM 1394 N ALA A 83 3.104 -4.633 -14.177 1.00 0.00 N ATOM 1395 CA ALA A 83 4.234 -4.863 -15.070 1.00 0.00 C ATOM 1396 C ALA A 83 5.042 -6.085 -14.643 1.00 0.00 C ATOM 1397 O ALA A 83 5.566 -6.822 -15.485 1.00 0.00 O ATOM 1398 CB ALA A 83 5.122 -3.628 -15.120 1.00 0.00 C ATOM 0 H ALA A 83 3.157 -3.758 -13.655 1.00 0.00 H new ATOM 0 HA ALA A 83 3.841 -5.058 -16.068 1.00 0.00 H new ATOM 0 HB1 ALA A 83 5.962 -3.811 -15.790 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.544 -2.779 -15.486 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.496 -3.408 -14.120 1.00 0.00 H new ATOM 1404 N ALA A 84 5.139 -6.297 -13.336 1.00 0.00 N ATOM 1405 CA ALA A 84 5.864 -7.442 -12.794 1.00 0.00 C ATOM 1406 C ALA A 84 5.117 -8.743 -13.066 1.00 0.00 C ATOM 1407 O ALA A 84 5.731 -9.778 -13.324 1.00 0.00 O ATOM 1408 CB ALA A 84 6.102 -7.262 -11.302 1.00 0.00 C ATOM 0 H ALA A 84 4.724 -5.690 -12.629 1.00 0.00 H new ATOM 0 HA ALA A 84 6.830 -7.500 -13.295 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.644 -8.124 -10.913 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.689 -6.359 -11.133 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.144 -7.174 -10.789 1.00 0.00 H new ATOM 1414 N SER A 85 3.787 -8.677 -13.037 1.00 0.00 N ATOM 1415 CA SER A 85 2.955 -9.852 -13.275 1.00 0.00 C ATOM 1416 C SER A 85 2.999 -10.259 -14.747 1.00 0.00 C ATOM 1417 O SER A 85 2.496 -11.318 -15.127 1.00 0.00 O ATOM 1418 CB SER A 85 1.511 -9.579 -12.849 1.00 0.00 C ATOM 1419 OG SER A 85 1.444 -9.199 -11.485 1.00 0.00 O ATOM 0 H SER A 85 3.264 -7.821 -12.851 1.00 0.00 H new ATOM 0 HA SER A 85 3.350 -10.673 -12.677 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.088 -8.790 -13.471 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.906 -10.471 -13.011 1.00 0.00 H new ATOM 0 HG SER A 85 1.676 -8.251 -11.398 1.00 0.00 H new ATOM 1425 N LYS A 86 3.592 -9.401 -15.572 1.00 0.00 N ATOM 1426 CA LYS A 86 3.759 -9.696 -16.985 1.00 0.00 C ATOM 1427 C LYS A 86 4.952 -10.624 -17.180 1.00 0.00 C ATOM 1428 O LYS A 86 4.799 -11.777 -17.590 1.00 0.00 O ATOM 1429 CB LYS A 86 3.977 -8.403 -17.779 1.00 0.00 C ATOM 1430 CG LYS A 86 2.914 -7.332 -17.555 1.00 0.00 C ATOM 1431 CD LYS A 86 1.686 -7.522 -18.432 1.00 0.00 C ATOM 1432 CE LYS A 86 0.853 -8.727 -18.024 1.00 0.00 C ATOM 1433 NZ LYS A 86 -0.309 -8.914 -18.927 1.00 0.00 N ATOM 0 H LYS A 86 3.964 -8.496 -15.283 1.00 0.00 H new ATOM 0 HA LYS A 86 2.855 -10.184 -17.349 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.951 -7.990 -17.515 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.011 -8.646 -18.841 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.611 -7.342 -16.508 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.347 -6.351 -17.753 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.068 -6.625 -18.384 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.000 -7.637 -19.469 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.475 -9.622 -18.039 1.00 0.00 H new ATOM 0 HE3 LYS A 86 0.503 -8.599 -17.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.856 -9.744 -18.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -0.914 -8.069 -18.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 0.028 -9.061 -19.900 1.00 0.00 H new ATOM 1447 N GLN A 87 6.140 -10.110 -16.871 1.00 0.00 N ATOM 1448 CA GLN A 87 7.379 -10.869 -17.026 1.00 0.00 C ATOM 1449 C GLN A 87 8.348 -10.538 -15.896 1.00 0.00 C ATOM 1450 O GLN A 87 8.996 -9.488 -15.911 1.00 0.00 O ATOM 1451 CB GLN A 87 8.056 -10.546 -18.362 1.00 0.00 C ATOM 1452 CG GLN A 87 7.184 -10.771 -19.588 1.00 0.00 C ATOM 1453 CD GLN A 87 7.884 -10.382 -20.875 1.00 0.00 C ATOM 1454 OE1 GLN A 87 9.190 -10.588 -20.928 1.00 0.00 O flip ATOM 1455 NE2 GLN A 87 7.252 -9.921 -21.823 1.00 0.00 N flip ATOM 0 H GLN A 87 6.271 -9.165 -16.510 1.00 0.00 H new ATOM 0 HA GLN A 87 7.123 -11.928 -16.998 1.00 0.00 H new ATOM 0 HB2 GLN A 87 8.378 -9.505 -18.348 1.00 0.00 H new ATOM 0 HB3 GLN A 87 8.954 -11.156 -18.455 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.896 -11.821 -19.638 1.00 0.00 H new ATOM 0 HG3 GLN A 87 6.265 -10.193 -19.488 1.00 0.00 H new ATOM 0 HE21 GLN A 87 6.245 -9.777 -21.743 1.00 0.00 H new ATOM 0 HE22 GLN A 87 7.734 -9.683 -22.690 1.00 0.00 H new ATOM 1464 N GLY A 88 8.443 -11.420 -14.916 1.00 0.00 N ATOM 1465 CA GLY A 88 9.352 -11.194 -13.812 1.00 0.00 C ATOM 1466 C GLY A 88 9.318 -12.320 -12.807 1.00 0.00 C ATOM 1467 O GLY A 88 8.460 -12.349 -11.927 1.00 0.00 O ATOM 0 H GLY A 88 7.909 -12.287 -14.864 1.00 0.00 H new ATOM 0 HA2 GLY A 88 10.366 -11.082 -14.195 1.00 0.00 H new ATOM 0 HA3 GLY A 88 9.093 -10.258 -13.316 1.00 0.00 H new ATOM 1471 N ASN A 89 10.250 -13.250 -12.930 1.00 0.00 N ATOM 1472 CA ASN A 89 10.287 -14.406 -12.046 1.00 0.00 C ATOM 1473 C ASN A 89 11.241 -14.171 -10.881 1.00 0.00 C ATOM 1474 O ASN A 89 12.462 -14.179 -11.059 1.00 0.00 O ATOM 1475 CB ASN A 89 10.703 -15.663 -12.818 1.00 0.00 C ATOM 1476 CG ASN A 89 10.838 -16.886 -11.923 1.00 0.00 C ATOM 1477 OD1 ASN A 89 10.154 -17.014 -10.907 1.00 0.00 O ATOM 1478 ND2 ASN A 89 11.734 -17.789 -12.290 1.00 0.00 N ATOM 0 H ASN A 89 10.990 -13.229 -13.631 1.00 0.00 H new ATOM 0 HA ASN A 89 9.283 -14.554 -11.647 1.00 0.00 H new ATOM 0 HB2 ASN A 89 9.967 -15.867 -13.596 1.00 0.00 H new ATOM 0 HB3 ASN A 89 11.653 -15.478 -13.319 1.00 0.00 H new ATOM 0 HD21 ASN A 89 11.876 -18.626 -11.724 1.00 0.00 H new ATOM 0 HD22 ASN A 89 12.282 -17.648 -13.139 1.00 0.00 H new ATOM 1485 N ALA A 90 10.656 -13.930 -9.704 1.00 0.00 N ATOM 1486 CA ALA A 90 11.391 -13.822 -8.438 1.00 0.00 C ATOM 1487 C ALA A 90 12.214 -12.537 -8.326 1.00 0.00 C ATOM 1488 O ALA A 90 12.010 -11.754 -7.400 1.00 0.00 O ATOM 1489 CB ALA A 90 12.276 -15.042 -8.218 1.00 0.00 C ATOM 0 H ALA A 90 9.649 -13.803 -9.601 1.00 0.00 H new ATOM 0 HA ALA A 90 10.637 -13.780 -7.652 1.00 0.00 H new ATOM 0 HB1 ALA A 90 12.810 -14.938 -7.274 1.00 0.00 H new ATOM 0 HB2 ALA A 90 11.658 -15.939 -8.189 1.00 0.00 H new ATOM 0 HB3 ALA A 90 12.994 -15.123 -9.034 1.00 0.00 H new ATOM 1495 N GLU A 91 13.119 -12.317 -9.274 1.00 0.00 N ATOM 1496 CA GLU A 91 14.077 -11.221 -9.199 1.00 0.00 C ATOM 1497 C GLU A 91 13.377 -9.866 -9.151 1.00 0.00 C ATOM 1498 O GLU A 91 13.644 -9.044 -8.271 1.00 0.00 O ATOM 1499 CB GLU A 91 14.997 -11.271 -10.422 1.00 0.00 C ATOM 1500 CG GLU A 91 15.772 -12.572 -10.564 1.00 0.00 C ATOM 1501 CD GLU A 91 16.641 -12.872 -9.361 1.00 0.00 C ATOM 1502 OE1 GLU A 91 17.629 -12.143 -9.135 1.00 0.00 O ATOM 1503 OE2 GLU A 91 16.358 -13.860 -8.647 1.00 0.00 O ATOM 0 H GLU A 91 13.209 -12.891 -10.112 1.00 0.00 H new ATOM 0 HA GLU A 91 14.654 -11.337 -8.282 1.00 0.00 H new ATOM 0 HB2 GLU A 91 14.398 -11.117 -11.320 1.00 0.00 H new ATOM 0 HB3 GLU A 91 15.704 -10.444 -10.365 1.00 0.00 H new ATOM 0 HG2 GLU A 91 15.071 -13.393 -10.713 1.00 0.00 H new ATOM 0 HG3 GLU A 91 16.398 -12.521 -11.455 1.00 0.00 H new ATOM 1510 N GLN A 92 12.461 -9.660 -10.081 1.00 0.00 N ATOM 1511 CA GLN A 92 11.708 -8.414 -10.160 1.00 0.00 C ATOM 1512 C GLN A 92 10.780 -8.268 -8.958 1.00 0.00 C ATOM 1513 O GLN A 92 10.566 -7.169 -8.450 1.00 0.00 O ATOM 1514 CB GLN A 92 10.882 -8.385 -11.450 1.00 0.00 C ATOM 1515 CG GLN A 92 11.705 -8.566 -12.721 1.00 0.00 C ATOM 1516 CD GLN A 92 12.648 -7.409 -12.999 1.00 0.00 C ATOM 1517 OE1 GLN A 92 13.132 -6.744 -12.084 1.00 0.00 O ATOM 1518 NE2 GLN A 92 12.917 -7.162 -14.272 1.00 0.00 N ATOM 0 H GLN A 92 12.217 -10.343 -10.798 1.00 0.00 H new ATOM 0 HA GLN A 92 12.415 -7.585 -10.160 1.00 0.00 H new ATOM 0 HB2 GLN A 92 10.128 -9.171 -11.403 1.00 0.00 H new ATOM 0 HB3 GLN A 92 10.350 -7.435 -11.507 1.00 0.00 H new ATOM 0 HG2 GLN A 92 12.284 -9.486 -12.642 1.00 0.00 H new ATOM 0 HG3 GLN A 92 11.030 -8.686 -13.568 1.00 0.00 H new ATOM 0 HE21 GLN A 92 12.496 -7.736 -15.003 1.00 0.00 H new ATOM 0 HE22 GLN A 92 13.545 -6.398 -14.522 1.00 0.00 H new ATOM 1527 N PHE A 93 10.267 -9.396 -8.495 1.00 0.00 N ATOM 1528 CA PHE A 93 9.266 -9.415 -7.443 1.00 0.00 C ATOM 1529 C PHE A 93 9.883 -9.053 -6.096 1.00 0.00 C ATOM 1530 O PHE A 93 9.321 -8.262 -5.342 1.00 0.00 O ATOM 1531 CB PHE A 93 8.603 -10.795 -7.378 1.00 0.00 C ATOM 1532 CG PHE A 93 7.402 -10.844 -6.481 1.00 0.00 C ATOM 1533 CD1 PHE A 93 6.293 -10.056 -6.745 1.00 0.00 C ATOM 1534 CD2 PHE A 93 7.382 -11.672 -5.374 1.00 0.00 C ATOM 1535 CE1 PHE A 93 5.187 -10.096 -5.922 1.00 0.00 C ATOM 1536 CE2 PHE A 93 6.280 -11.718 -4.547 1.00 0.00 C ATOM 1537 CZ PHE A 93 5.180 -10.928 -4.821 1.00 0.00 C ATOM 0 H PHE A 93 10.532 -10.320 -8.836 1.00 0.00 H new ATOM 0 HA PHE A 93 8.506 -8.668 -7.674 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.307 -11.094 -8.384 1.00 0.00 H new ATOM 0 HB3 PHE A 93 9.335 -11.524 -7.031 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.295 -9.403 -7.605 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.240 -12.290 -5.155 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.328 -9.478 -6.139 1.00 0.00 H new ATOM 0 HE2 PHE A 93 6.276 -12.370 -3.686 1.00 0.00 H new ATOM 0 HZ PHE A 93 4.316 -10.962 -4.174 1.00 0.00 H new ATOM 1547 N ALA A 94 11.048 -9.623 -5.812 1.00 0.00 N ATOM 1548 CA ALA A 94 11.743 -9.369 -4.556 1.00 0.00 C ATOM 1549 C ALA A 94 12.061 -7.887 -4.397 1.00 0.00 C ATOM 1550 O ALA A 94 11.920 -7.322 -3.312 1.00 0.00 O ATOM 1551 CB ALA A 94 13.016 -10.199 -4.483 1.00 0.00 C ATOM 0 H ALA A 94 11.533 -10.267 -6.437 1.00 0.00 H new ATOM 0 HA ALA A 94 11.086 -9.661 -3.737 1.00 0.00 H new ATOM 0 HB1 ALA A 94 13.526 -10.001 -3.540 1.00 0.00 H new ATOM 0 HB2 ALA A 94 12.764 -11.258 -4.543 1.00 0.00 H new ATOM 0 HB3 ALA A 94 13.671 -9.934 -5.313 1.00 0.00 H new ATOM 1557 N SER A 95 12.476 -7.259 -5.490 1.00 0.00 N ATOM 1558 CA SER A 95 12.802 -5.847 -5.478 1.00 0.00 C ATOM 1559 C SER A 95 11.535 -5.008 -5.328 1.00 0.00 C ATOM 1560 O SER A 95 11.505 -4.033 -4.572 1.00 0.00 O ATOM 1561 CB SER A 95 13.539 -5.495 -6.768 1.00 0.00 C ATOM 1562 OG SER A 95 14.679 -6.325 -6.942 1.00 0.00 O ATOM 0 H SER A 95 12.594 -7.711 -6.397 1.00 0.00 H new ATOM 0 HA SER A 95 13.447 -5.628 -4.627 1.00 0.00 H new ATOM 0 HB2 SER A 95 12.867 -5.610 -7.619 1.00 0.00 H new ATOM 0 HB3 SER A 95 13.846 -4.449 -6.743 1.00 0.00 H new ATOM 0 HG SER A 95 14.406 -7.175 -7.347 1.00 0.00 H new ATOM 1568 N LEU A 96 10.488 -5.426 -6.024 1.00 0.00 N ATOM 1569 CA LEU A 96 9.211 -4.731 -6.007 1.00 0.00 C ATOM 1570 C LEU A 96 8.627 -4.686 -4.598 1.00 0.00 C ATOM 1571 O LEU A 96 8.213 -3.630 -4.118 1.00 0.00 O ATOM 1572 CB LEU A 96 8.245 -5.440 -6.958 1.00 0.00 C ATOM 1573 CG LEU A 96 6.826 -4.879 -7.011 1.00 0.00 C ATOM 1574 CD1 LEU A 96 6.844 -3.386 -7.292 1.00 0.00 C ATOM 1575 CD2 LEU A 96 6.021 -5.608 -8.076 1.00 0.00 C ATOM 0 H LEU A 96 10.501 -6.256 -6.616 1.00 0.00 H new ATOM 0 HA LEU A 96 9.364 -3.703 -6.334 1.00 0.00 H new ATOM 0 HB2 LEU A 96 8.666 -5.406 -7.963 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.189 -6.490 -6.671 1.00 0.00 H new ATOM 0 HG LEU A 96 6.356 -5.034 -6.040 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.822 -3.010 -7.325 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.394 -2.874 -6.503 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.329 -3.202 -8.250 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.010 -5.203 -8.109 1.00 0.00 H new ATOM 0 HD22 LEU A 96 6.497 -5.474 -9.047 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.979 -6.670 -7.836 1.00 0.00 H new ATOM 1587 N VAL A 97 8.620 -5.833 -3.936 1.00 0.00 N ATOM 1588 CA VAL A 97 8.073 -5.935 -2.589 1.00 0.00 C ATOM 1589 C VAL A 97 8.854 -5.060 -1.607 1.00 0.00 C ATOM 1590 O VAL A 97 8.263 -4.378 -0.767 1.00 0.00 O ATOM 1591 CB VAL A 97 8.074 -7.397 -2.091 1.00 0.00 C ATOM 1592 CG1 VAL A 97 7.581 -7.484 -0.655 1.00 0.00 C ATOM 1593 CG2 VAL A 97 7.215 -8.266 -2.995 1.00 0.00 C ATOM 0 H VAL A 97 8.987 -6.708 -4.309 1.00 0.00 H new ATOM 0 HA VAL A 97 7.043 -5.581 -2.636 1.00 0.00 H new ATOM 0 HB VAL A 97 9.100 -7.763 -2.122 1.00 0.00 H new ATOM 0 HG11 VAL A 97 7.592 -8.524 -0.329 1.00 0.00 H new ATOM 0 HG12 VAL A 97 8.233 -6.895 -0.010 1.00 0.00 H new ATOM 0 HG13 VAL A 97 6.564 -7.095 -0.595 1.00 0.00 H new ATOM 0 HG21 VAL A 97 7.226 -9.293 -2.630 1.00 0.00 H new ATOM 0 HG22 VAL A 97 6.191 -7.892 -2.994 1.00 0.00 H new ATOM 0 HG23 VAL A 97 7.611 -8.237 -4.010 1.00 0.00 H new ATOM 1603 N GLN A 98 10.177 -5.064 -1.733 1.00 0.00 N ATOM 1604 CA GLN A 98 11.031 -4.316 -0.818 1.00 0.00 C ATOM 1605 C GLN A 98 10.789 -2.815 -0.949 1.00 0.00 C ATOM 1606 O GLN A 98 10.650 -2.110 0.053 1.00 0.00 O ATOM 1607 CB GLN A 98 12.505 -4.631 -1.078 1.00 0.00 C ATOM 1608 CG GLN A 98 13.438 -4.047 -0.030 1.00 0.00 C ATOM 1609 CD GLN A 98 14.896 -4.334 -0.315 1.00 0.00 C ATOM 1610 OE1 GLN A 98 15.310 -4.444 -1.469 1.00 0.00 O ATOM 1611 NE2 GLN A 98 15.683 -4.465 0.739 1.00 0.00 N ATOM 0 H GLN A 98 10.680 -5.576 -2.458 1.00 0.00 H new ATOM 0 HA GLN A 98 10.779 -4.620 0.198 1.00 0.00 H new ATOM 0 HB2 GLN A 98 12.638 -5.712 -1.111 1.00 0.00 H new ATOM 0 HB3 GLN A 98 12.784 -4.246 -2.059 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.288 -2.969 0.022 1.00 0.00 H new ATOM 0 HG3 GLN A 98 13.177 -4.452 0.948 1.00 0.00 H new ATOM 0 HE21 GLN A 98 15.298 -4.366 1.678 1.00 0.00 H new ATOM 0 HE22 GLN A 98 16.675 -4.665 0.613 1.00 0.00 H new ATOM 1620 N GLN A 99 10.726 -2.331 -2.186 1.00 0.00 N ATOM 1621 CA GLN A 99 10.498 -0.912 -2.437 1.00 0.00 C ATOM 1622 C GLN A 99 9.111 -0.494 -1.970 1.00 0.00 C ATOM 1623 O GLN A 99 8.951 0.539 -1.322 1.00 0.00 O ATOM 1624 CB GLN A 99 10.656 -0.587 -3.921 1.00 0.00 C ATOM 1625 CG GLN A 99 12.075 -0.737 -4.430 1.00 0.00 C ATOM 1626 CD GLN A 99 12.220 -0.255 -5.857 1.00 0.00 C ATOM 1627 OE1 GLN A 99 12.071 -1.020 -6.808 1.00 0.00 O ATOM 1628 NE2 GLN A 99 12.499 1.026 -6.019 1.00 0.00 N ATOM 0 H GLN A 99 10.829 -2.898 -3.027 1.00 0.00 H new ATOM 0 HA GLN A 99 11.245 -0.355 -1.872 1.00 0.00 H new ATOM 0 HB2 GLN A 99 10.001 -1.240 -4.498 1.00 0.00 H new ATOM 0 HB3 GLN A 99 10.322 0.436 -4.097 1.00 0.00 H new ATOM 0 HG2 GLN A 99 12.752 -0.175 -3.787 1.00 0.00 H new ATOM 0 HG3 GLN A 99 12.373 -1.784 -4.369 1.00 0.00 H new ATOM 0 HE21 GLN A 99 12.615 1.629 -5.205 1.00 0.00 H new ATOM 0 HE22 GLN A 99 12.598 1.412 -6.958 1.00 0.00 H new ATOM 1637 N HIS A 100 8.120 -1.316 -2.289 1.00 0.00 N ATOM 1638 CA HIS A 100 6.740 -1.040 -1.915 1.00 0.00 C ATOM 1639 C HIS A 100 6.625 -0.919 -0.393 1.00 0.00 C ATOM 1640 O HIS A 100 5.896 -0.068 0.121 1.00 0.00 O ATOM 1641 CB HIS A 100 5.834 -2.164 -2.434 1.00 0.00 C ATOM 1642 CG HIS A 100 4.375 -1.822 -2.477 1.00 0.00 C ATOM 1643 ND1 HIS A 100 3.442 -2.563 -3.165 1.00 0.00 N ATOM 1644 CD2 HIS A 100 3.692 -0.801 -1.903 1.00 0.00 C ATOM 1645 CE1 HIS A 100 2.250 -1.988 -2.991 1.00 0.00 C ATOM 1646 NE2 HIS A 100 2.344 -0.910 -2.231 1.00 0.00 N ATOM 0 H HIS A 100 8.248 -2.184 -2.809 1.00 0.00 H new ATOM 0 HA HIS A 100 6.425 -0.097 -2.361 1.00 0.00 H new ATOM 0 HB2 HIS A 100 6.158 -2.440 -3.437 1.00 0.00 H new ATOM 0 HB3 HIS A 100 5.969 -3.042 -1.803 1.00 0.00 H new ATOM 0 HD1 HIS A 100 3.628 -3.404 -3.712 1.00 0.00 H new ATOM 0 HD2 HIS A 100 4.126 -0.026 -1.289 1.00 0.00 H new ATOM 0 HE1 HIS A 100 1.328 -2.356 -3.416 1.00 0.00 H new ATOM 1654 N LEU A 101 7.366 -1.764 0.315 1.00 0.00 N ATOM 1655 CA LEU A 101 7.376 -1.758 1.774 1.00 0.00 C ATOM 1656 C LEU A 101 7.837 -0.393 2.292 1.00 0.00 C ATOM 1657 O LEU A 101 7.197 0.206 3.160 1.00 0.00 O ATOM 1658 CB LEU A 101 8.301 -2.876 2.281 1.00 0.00 C ATOM 1659 CG LEU A 101 8.041 -3.392 3.706 1.00 0.00 C ATOM 1660 CD1 LEU A 101 8.814 -4.681 3.938 1.00 0.00 C ATOM 1661 CD2 LEU A 101 8.434 -2.355 4.750 1.00 0.00 C ATOM 0 H LEU A 101 7.974 -2.469 -0.103 1.00 0.00 H new ATOM 0 HA LEU A 101 6.368 -1.938 2.147 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.224 -3.719 1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.329 -2.517 2.231 1.00 0.00 H new ATOM 0 HG LEU A 101 6.973 -3.585 3.807 1.00 0.00 H new ATOM 0 HD11 LEU A 101 8.626 -5.041 4.949 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.491 -5.433 3.219 1.00 0.00 H new ATOM 0 HD13 LEU A 101 9.880 -4.493 3.813 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.238 -2.750 5.747 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.495 -2.125 4.653 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.851 -1.447 4.598 1.00 0.00 H new ATOM 1673 N GLN A 102 8.939 0.097 1.740 1.00 0.00 N ATOM 1674 CA GLN A 102 9.496 1.366 2.125 1.00 0.00 C ATOM 1675 C GLN A 102 8.549 2.513 1.780 1.00 0.00 C ATOM 1676 O GLN A 102 8.387 3.454 2.562 1.00 0.00 O ATOM 1677 CB GLN A 102 10.828 1.530 1.408 1.00 0.00 C ATOM 1678 CG GLN A 102 11.884 0.513 1.822 1.00 0.00 C ATOM 1679 CD GLN A 102 12.537 0.826 3.163 1.00 0.00 C ATOM 1680 OE1 GLN A 102 11.819 1.501 4.055 1.00 0.00 O flip ATOM 1681 NE2 GLN A 102 13.690 0.467 3.391 1.00 0.00 N flip ATOM 0 H GLN A 102 9.466 -0.384 1.011 1.00 0.00 H new ATOM 0 HA GLN A 102 9.644 1.392 3.205 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.663 1.450 0.334 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.210 2.533 1.598 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.426 -0.475 1.872 1.00 0.00 H new ATOM 0 HG3 GLN A 102 12.655 0.468 1.053 1.00 0.00 H new ATOM 0 HE21 GLN A 102 14.213 -0.050 2.684 1.00 0.00 H new ATOM 0 HE22 GLN A 102 14.124 0.686 4.288 1.00 0.00 H new ATOM 1690 N ASP A 103 7.918 2.418 0.617 1.00 0.00 N ATOM 1691 CA ASP A 103 6.968 3.427 0.163 1.00 0.00 C ATOM 1692 C ASP A 103 5.788 3.551 1.122 1.00 0.00 C ATOM 1693 O ASP A 103 5.434 4.653 1.540 1.00 0.00 O ATOM 1694 CB ASP A 103 6.458 3.088 -1.237 1.00 0.00 C ATOM 1695 CG ASP A 103 7.374 3.578 -2.342 1.00 0.00 C ATOM 1696 OD1 ASP A 103 8.615 3.472 -2.201 1.00 0.00 O ATOM 1697 OD2 ASP A 103 6.852 4.093 -3.354 1.00 0.00 O ATOM 0 H ASP A 103 8.048 1.645 -0.035 1.00 0.00 H new ATOM 0 HA ASP A 103 7.491 4.383 0.136 1.00 0.00 H new ATOM 0 HB2 ASP A 103 6.342 2.008 -1.323 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.469 3.526 -1.372 1.00 0.00 H new ATOM 1702 N GLU A 104 5.187 2.420 1.478 1.00 0.00 N ATOM 1703 CA GLU A 104 4.041 2.427 2.384 1.00 0.00 C ATOM 1704 C GLU A 104 4.436 2.948 3.759 1.00 0.00 C ATOM 1705 O GLU A 104 3.673 3.675 4.397 1.00 0.00 O ATOM 1706 CB GLU A 104 3.430 1.030 2.519 1.00 0.00 C ATOM 1707 CG GLU A 104 2.889 0.458 1.218 1.00 0.00 C ATOM 1708 CD GLU A 104 1.857 1.346 0.550 1.00 0.00 C ATOM 1709 OE1 GLU A 104 1.344 2.290 1.196 1.00 0.00 O ATOM 1710 OE2 GLU A 104 1.548 1.111 -0.637 1.00 0.00 O ATOM 0 H GLU A 104 5.470 1.494 1.157 1.00 0.00 H new ATOM 0 HA GLU A 104 3.294 3.094 1.954 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.186 0.352 2.914 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.622 1.068 3.250 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.718 0.296 0.529 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.444 -0.517 1.416 1.00 0.00 H new ATOM 1717 N GLN A 105 5.631 2.582 4.207 1.00 0.00 N ATOM 1718 CA GLN A 105 6.132 3.037 5.495 1.00 0.00 C ATOM 1719 C GLN A 105 6.267 4.558 5.505 1.00 0.00 C ATOM 1720 O GLN A 105 6.071 5.202 6.535 1.00 0.00 O ATOM 1721 CB GLN A 105 7.480 2.379 5.802 1.00 0.00 C ATOM 1722 CG GLN A 105 8.010 2.703 7.189 1.00 0.00 C ATOM 1723 CD GLN A 105 9.335 2.034 7.478 1.00 0.00 C ATOM 1724 OE1 GLN A 105 9.381 0.915 7.988 1.00 0.00 O ATOM 1725 NE2 GLN A 105 10.417 2.718 7.156 1.00 0.00 N ATOM 0 H GLN A 105 6.270 1.972 3.697 1.00 0.00 H new ATOM 0 HA GLN A 105 5.420 2.748 6.268 1.00 0.00 H new ATOM 0 HB2 GLN A 105 7.379 1.298 5.704 1.00 0.00 H new ATOM 0 HB3 GLN A 105 8.210 2.700 5.059 1.00 0.00 H new ATOM 0 HG2 GLN A 105 8.124 3.783 7.287 1.00 0.00 H new ATOM 0 HG3 GLN A 105 7.279 2.390 7.935 1.00 0.00 H new ATOM 0 HE21 GLN A 105 10.329 3.643 6.735 1.00 0.00 H new ATOM 0 HE22 GLN A 105 11.341 2.322 7.328 1.00 0.00 H new ATOM 1734 N ARG A 106 6.590 5.126 4.347 1.00 0.00 N ATOM 1735 CA ARG A 106 6.696 6.572 4.201 1.00 0.00 C ATOM 1736 C ARG A 106 5.321 7.223 4.350 1.00 0.00 C ATOM 1737 O ARG A 106 5.194 8.271 4.982 1.00 0.00 O ATOM 1738 CB ARG A 106 7.302 6.929 2.841 1.00 0.00 C ATOM 1739 CG ARG A 106 7.478 8.423 2.607 1.00 0.00 C ATOM 1740 CD ARG A 106 8.764 8.961 3.227 1.00 0.00 C ATOM 1741 NE ARG A 106 8.751 8.953 4.695 1.00 0.00 N ATOM 1742 CZ ARG A 106 9.345 9.888 5.437 1.00 0.00 C ATOM 1743 NH1 ARG A 106 9.917 10.930 4.851 1.00 0.00 N ATOM 1744 NH2 ARG A 106 9.351 9.791 6.763 1.00 0.00 N ATOM 0 H ARG A 106 6.783 4.603 3.493 1.00 0.00 H new ATOM 0 HA ARG A 106 7.351 6.951 4.986 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.273 6.442 2.750 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.666 6.522 2.055 1.00 0.00 H new ATOM 0 HG2 ARG A 106 7.484 8.622 1.535 1.00 0.00 H new ATOM 0 HG3 ARG A 106 6.625 8.957 3.026 1.00 0.00 H new ATOM 0 HD2 ARG A 106 9.606 8.364 2.875 1.00 0.00 H new ATOM 0 HD3 ARG A 106 8.928 9.980 2.878 1.00 0.00 H new ATOM 0 HE ARG A 106 8.263 8.194 5.171 1.00 0.00 H new ATOM 0 HH11 ARG A 106 9.902 11.015 3.835 1.00 0.00 H new ATOM 0 HH12 ARG A 106 10.372 11.647 5.416 1.00 0.00 H new ATOM 0 HH21 ARG A 106 8.899 8.998 7.218 1.00 0.00 H new ATOM 0 HH22 ARG A 106 9.807 10.510 7.325 1.00 0.00 H new ATOM 1758 N HIS A 107 4.298 6.591 3.774 1.00 0.00 N ATOM 1759 CA HIS A 107 2.922 7.082 3.890 1.00 0.00 C ATOM 1760 C HIS A 107 2.498 7.117 5.357 1.00 0.00 C ATOM 1761 O HIS A 107 1.982 8.125 5.841 1.00 0.00 O ATOM 1762 CB HIS A 107 1.944 6.200 3.095 1.00 0.00 C ATOM 1763 CG HIS A 107 2.176 6.180 1.610 1.00 0.00 C ATOM 1764 ND1 HIS A 107 1.731 5.134 0.819 1.00 0.00 N ATOM 1765 CD2 HIS A 107 2.785 7.101 0.825 1.00 0.00 C ATOM 1766 CE1 HIS A 107 2.082 5.457 -0.421 1.00 0.00 C ATOM 1767 NE2 HIS A 107 2.719 6.633 -0.462 1.00 0.00 N ATOM 0 H HIS A 107 4.395 5.738 3.222 1.00 0.00 H new ATOM 0 HA HIS A 107 2.893 8.090 3.475 1.00 0.00 H new ATOM 0 HB2 HIS A 107 2.009 5.179 3.472 1.00 0.00 H new ATOM 0 HB3 HIS A 107 0.928 6.546 3.285 1.00 0.00 H new ATOM 0 HD2 HIS A 107 3.236 8.027 1.151 1.00 0.00 H new ATOM 0 HE1 HIS A 107 1.878 4.846 -1.288 1.00 0.00 H new ATOM 0 HE2 HIS A 107 3.086 7.094 -1.294 1.00 0.00 H new ATOM 1775 N VAL A 108 2.733 6.012 6.058 1.00 0.00 N ATOM 1776 CA VAL A 108 2.435 5.926 7.487 1.00 0.00 C ATOM 1777 C VAL A 108 3.197 7.002 8.256 1.00 0.00 C ATOM 1778 O VAL A 108 2.642 7.675 9.126 1.00 0.00 O ATOM 1779 CB VAL A 108 2.799 4.534 8.052 1.00 0.00 C ATOM 1780 CG1 VAL A 108 2.529 4.461 9.549 1.00 0.00 C ATOM 1781 CG2 VAL A 108 2.029 3.446 7.319 1.00 0.00 C ATOM 0 H VAL A 108 3.130 5.161 5.660 1.00 0.00 H new ATOM 0 HA VAL A 108 1.363 6.082 7.610 1.00 0.00 H new ATOM 0 HB VAL A 108 3.866 4.375 7.895 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.794 3.471 9.919 1.00 0.00 H new ATOM 0 HG12 VAL A 108 3.127 5.213 10.064 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.472 4.647 9.738 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.297 2.472 7.729 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.959 3.611 7.444 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.279 3.475 6.258 1.00 0.00 H new ATOM 1791 N GLU A 109 4.466 7.162 7.899 1.00 0.00 N ATOM 1792 CA GLU A 109 5.330 8.172 8.498 1.00 0.00 C ATOM 1793 C GLU A 109 4.742 9.570 8.336 1.00 0.00 C ATOM 1794 O GLU A 109 4.754 10.368 9.270 1.00 0.00 O ATOM 1795 CB GLU A 109 6.715 8.105 7.849 1.00 0.00 C ATOM 1796 CG GLU A 109 7.739 7.329 8.659 1.00 0.00 C ATOM 1797 CD GLU A 109 8.267 8.133 9.826 1.00 0.00 C ATOM 1798 OE1 GLU A 109 9.133 9.002 9.598 1.00 0.00 O ATOM 1799 OE2 GLU A 109 7.825 7.908 10.970 1.00 0.00 O ATOM 0 H GLU A 109 4.925 6.595 7.186 1.00 0.00 H new ATOM 0 HA GLU A 109 5.413 7.968 9.565 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.622 7.646 6.865 1.00 0.00 H new ATOM 0 HB3 GLU A 109 7.082 9.120 7.694 1.00 0.00 H new ATOM 0 HG2 GLU A 109 7.287 6.409 9.028 1.00 0.00 H new ATOM 0 HG3 GLU A 109 8.568 7.040 8.013 1.00 0.00 H new ATOM 1806 N GLU A 110 4.222 9.856 7.152 1.00 0.00 N ATOM 1807 CA GLU A 110 3.595 11.133 6.878 1.00 0.00 C ATOM 1808 C GLU A 110 2.398 11.364 7.797 1.00 0.00 C ATOM 1809 O GLU A 110 2.263 12.429 8.394 1.00 0.00 O ATOM 1810 CB GLU A 110 3.166 11.177 5.414 1.00 0.00 C ATOM 1811 CG GLU A 110 4.310 11.455 4.455 1.00 0.00 C ATOM 1812 CD GLU A 110 4.931 12.823 4.663 1.00 0.00 C ATOM 1813 OE1 GLU A 110 5.867 12.940 5.476 1.00 0.00 O ATOM 1814 OE2 GLU A 110 4.485 13.791 4.008 1.00 0.00 O ATOM 0 H GLU A 110 4.224 9.212 6.361 1.00 0.00 H new ATOM 0 HA GLU A 110 4.314 11.930 7.069 1.00 0.00 H new ATOM 0 HB2 GLU A 110 2.705 10.225 5.150 1.00 0.00 H new ATOM 0 HB3 GLU A 110 2.404 11.946 5.290 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.077 10.690 4.579 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.946 11.378 3.430 1.00 0.00 H new ATOM 1821 N ILE A 111 1.559 10.344 7.931 1.00 0.00 N ATOM 1822 CA ILE A 111 0.354 10.436 8.751 1.00 0.00 C ATOM 1823 C ILE A 111 0.696 10.659 10.226 1.00 0.00 C ATOM 1824 O ILE A 111 0.116 11.526 10.884 1.00 0.00 O ATOM 1825 CB ILE A 111 -0.511 9.164 8.612 1.00 0.00 C ATOM 1826 CG1 ILE A 111 -0.888 8.936 7.144 1.00 0.00 C ATOM 1827 CG2 ILE A 111 -1.762 9.260 9.481 1.00 0.00 C ATOM 1828 CD1 ILE A 111 -1.667 7.663 6.902 1.00 0.00 C ATOM 0 H ILE A 111 1.691 9.438 7.480 1.00 0.00 H new ATOM 0 HA ILE A 111 -0.212 11.294 8.389 1.00 0.00 H new ATOM 0 HB ILE A 111 0.074 8.311 8.957 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -1.478 9.783 6.795 1.00 0.00 H new ATOM 0 HG13 ILE A 111 0.022 8.913 6.545 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.355 8.353 9.366 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -1.472 9.374 10.525 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -2.354 10.122 9.173 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -1.896 7.573 5.840 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -1.072 6.806 7.219 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -2.595 7.691 7.473 1.00 0.00 H new ATOM 1840 N GLU A 112 1.650 9.882 10.736 1.00 0.00 N ATOM 1841 CA GLU A 112 2.035 9.951 12.134 1.00 0.00 C ATOM 1842 C GLU A 112 2.696 11.286 12.472 1.00 0.00 C ATOM 1843 O GLU A 112 2.644 11.744 13.613 1.00 0.00 O ATOM 1844 CB GLU A 112 2.977 8.800 12.467 1.00 0.00 C ATOM 1845 CG GLU A 112 2.338 7.429 12.343 1.00 0.00 C ATOM 1846 CD GLU A 112 3.254 6.311 12.799 1.00 0.00 C ATOM 1847 OE1 GLU A 112 4.303 6.099 12.162 1.00 0.00 O ATOM 1848 OE2 GLU A 112 2.926 5.636 13.800 1.00 0.00 O ATOM 0 H GLU A 112 2.171 9.194 10.192 1.00 0.00 H new ATOM 0 HA GLU A 112 1.130 9.869 12.737 1.00 0.00 H new ATOM 0 HB2 GLU A 112 3.842 8.848 11.806 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.346 8.928 13.485 1.00 0.00 H new ATOM 0 HG2 GLU A 112 1.422 7.405 12.933 1.00 0.00 H new ATOM 0 HG3 GLU A 112 2.053 7.258 11.305 1.00 0.00 H new ATOM 1855 N LYS A 113 3.310 11.916 11.477 1.00 0.00 N ATOM 1856 CA LYS A 113 3.965 13.205 11.684 1.00 0.00 C ATOM 1857 C LYS A 113 2.971 14.365 11.590 1.00 0.00 C ATOM 1858 O LYS A 113 3.319 15.448 11.115 1.00 0.00 O ATOM 1859 CB LYS A 113 5.090 13.409 10.668 1.00 0.00 C ATOM 1860 CG LYS A 113 6.278 12.483 10.870 1.00 0.00 C ATOM 1861 CD LYS A 113 7.435 12.817 9.932 1.00 0.00 C ATOM 1862 CE LYS A 113 7.068 12.619 8.466 1.00 0.00 C ATOM 1863 NZ LYS A 113 6.371 13.799 7.883 1.00 0.00 N ATOM 0 H LYS A 113 3.369 11.559 10.523 1.00 0.00 H new ATOM 0 HA LYS A 113 4.385 13.195 12.690 1.00 0.00 H new ATOM 0 HB2 LYS A 113 4.692 13.259 9.665 1.00 0.00 H new ATOM 0 HB3 LYS A 113 5.433 14.442 10.724 1.00 0.00 H new ATOM 0 HG2 LYS A 113 6.619 12.552 11.903 1.00 0.00 H new ATOM 0 HG3 LYS A 113 5.965 11.452 10.705 1.00 0.00 H new ATOM 0 HD2 LYS A 113 7.742 13.851 10.091 1.00 0.00 H new ATOM 0 HD3 LYS A 113 8.292 12.189 10.178 1.00 0.00 H new ATOM 0 HE2 LYS A 113 7.973 12.417 7.893 1.00 0.00 H new ATOM 0 HE3 LYS A 113 6.429 11.741 8.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 6.459 13.777 6.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 5.365 13.773 8.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 6.802 14.672 8.248 1.00 0.00 H new ATOM 1877 N LYS A 114 1.743 14.124 12.054 1.00 0.00 N ATOM 1878 CA LYS A 114 0.679 15.138 12.095 1.00 0.00 C ATOM 1879 C LYS A 114 0.167 15.473 10.694 1.00 0.00 C ATOM 1880 O LYS A 114 -0.724 16.309 10.541 1.00 0.00 O ATOM 1881 CB LYS A 114 1.155 16.424 12.788 1.00 0.00 C ATOM 1882 CG LYS A 114 1.699 16.214 14.195 1.00 0.00 C ATOM 1883 CD LYS A 114 2.236 17.512 14.777 1.00 0.00 C ATOM 1884 CE LYS A 114 2.885 17.307 16.141 1.00 0.00 C ATOM 1885 NZ LYS A 114 1.921 16.804 17.154 1.00 0.00 N ATOM 0 H LYS A 114 1.454 13.215 12.415 1.00 0.00 H new ATOM 0 HA LYS A 114 -0.139 14.709 12.673 1.00 0.00 H new ATOM 0 HB2 LYS A 114 1.930 16.886 12.177 1.00 0.00 H new ATOM 0 HB3 LYS A 114 0.323 17.127 12.834 1.00 0.00 H new ATOM 0 HG2 LYS A 114 0.910 15.823 14.838 1.00 0.00 H new ATOM 0 HG3 LYS A 114 2.492 15.467 14.173 1.00 0.00 H new ATOM 0 HD2 LYS A 114 2.966 17.942 14.090 1.00 0.00 H new ATOM 0 HD3 LYS A 114 1.422 18.231 14.868 1.00 0.00 H new ATOM 0 HE2 LYS A 114 3.710 16.601 16.046 1.00 0.00 H new ATOM 0 HE3 LYS A 114 3.310 18.250 16.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 2.380 16.777 18.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 1.096 17.436 17.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 1.611 15.846 16.893 1.00 0.00 H new ATOM 1899 N ASN A 115 0.717 14.793 9.686 1.00 0.00 N ATOM 1900 CA ASN A 115 0.384 15.041 8.285 1.00 0.00 C ATOM 1901 C ASN A 115 0.736 16.479 7.901 1.00 0.00 C ATOM 1902 O ASN A 115 1.940 16.763 7.728 1.00 0.00 O ATOM 1903 CB ASN A 115 -1.098 14.742 8.012 1.00 0.00 C ATOM 1904 CG ASN A 115 -1.480 14.891 6.549 1.00 0.00 C ATOM 1905 OD1 ASN A 115 -0.536 14.647 5.655 1.00 0.00 O flip ATOM 1906 ND2 ASN A 115 -2.619 15.217 6.224 1.00 0.00 N flip ATOM 1907 OXT ASN A 115 -0.179 17.319 7.770 1.00 0.00 O ATOM 0 H ASN A 115 1.407 14.054 9.820 1.00 0.00 H new ATOM 0 HA ASN A 115 0.976 14.368 7.665 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -1.323 13.726 8.338 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -1.714 15.413 8.611 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -3.322 15.398 6.941 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -2.862 15.307 5.237 1.00 0.00 H new TER 1914 ASN A 115 HETATM 1915 ZN ZN A 300 0.835 0.922 -2.058 1.00 0.00 ZN HETATM 1916 ZN ZN A 400 0.233 3.428 1.175 1.00 0.00 ZN