USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 1000 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 112 THR OG1 : rot 180:sc= -0.0104 USER MOD Set 1.2: A 115 THR OG1 : rot -158:sc= 0.822 USER MOD Set 2.1: A 26 LYS NZ :NH3+ -152:sc= -0.031 (180deg=-0.37) USER MOD Set 2.2: A 31 ASN : amide:sc= -0.179 K(o=-0.21,f=-1.6!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -49:sc= 0.0457 USER MOD Single : A 16 THR OG1 : rot 18:sc= 0.336! USER MOD Single : A 17 MET CE :methyl 180:sc=-0.00314 (180deg=-0.00314) USER MOD Single : A 23 ASN : amide:sc= -0.0922 X(o=-0.092,f=0) USER MOD Single : A 32 ASN : amide:sc= -0.245 K(o=-0.25,f=-0.95) USER MOD Single : A 44 ASN : amide:sc= -0.249 X(o=-0.25,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -123:sc= 0.683 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 165:sc= -1.22 USER MOD Single : A 56 SER OG : rot 91:sc= -0.391 USER MOD Single : A 59 ASN :FLIP amide:sc= -0.981 F(o=-3.9!,f=-0.98) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN :FLIP amide:sc= -4.1! C(o=-6.5!,f=-4.1!) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -118:sc= -1.43 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 23:sc= -0.647 USER MOD Single : A 85 MET CE :methyl -153:sc= -0.395 (180deg=-1.76) USER MOD Single : A 87 THR OG1 : rot 68:sc= 0.304 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN :FLIP amide:sc= -3.1! C(o=-4.3!,f=-3.1!) USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 104 SER OG : rot 123:sc= -2 USER MOD Single : A 106 TYR OH : rot 180:sc= -3.02 USER MOD Single : A 109 LYS NZ :NH3+ 159:sc= 0.821 (180deg=-0.761!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 LYS NZ :NH3+ 160:sc= -0.052 (180deg=-0.497) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -14.853 -0.698 8.378 1.00 0.00 N ATOM 2 CA ALA A 2 -13.854 0.230 8.981 1.00 0.00 C ATOM 3 C ALA A 2 -14.174 1.665 8.556 1.00 0.00 C ATOM 4 O ALA A 2 -15.134 1.911 7.853 1.00 0.00 O ATOM 5 CB ALA A 2 -12.451 -0.150 8.498 1.00 0.00 C ATOM 0 HA ALA A 2 -13.894 0.157 10.068 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.719 0.527 8.938 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.227 -1.173 8.801 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.408 -0.075 7.411 1.00 0.00 H new ATOM 11 N ASP A 3 -13.379 2.614 8.976 1.00 0.00 N ATOM 12 CA ASP A 3 -13.637 4.033 8.592 1.00 0.00 C ATOM 13 C ASP A 3 -13.943 4.104 7.095 1.00 0.00 C ATOM 14 O ASP A 3 -13.338 3.417 6.304 1.00 0.00 O ATOM 15 CB ASP A 3 -12.395 4.873 8.896 1.00 0.00 C ATOM 16 CG ASP A 3 -12.497 5.445 10.311 1.00 0.00 C ATOM 17 OD1 ASP A 3 -13.002 4.749 11.175 1.00 0.00 O ATOM 18 OD2 ASP A 3 -12.068 6.571 10.505 1.00 0.00 O ATOM 0 H ASP A 3 -12.562 2.467 9.569 1.00 0.00 H new ATOM 0 HA ASP A 3 -14.486 4.417 9.157 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.498 4.261 8.804 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -12.304 5.682 8.171 1.00 0.00 H new ATOM 23 N LYS A 4 -14.886 4.916 6.698 1.00 0.00 N ATOM 24 CA LYS A 4 -15.213 5.013 5.245 1.00 0.00 C ATOM 25 C LYS A 4 -14.368 6.104 4.582 1.00 0.00 C ATOM 26 O LYS A 4 -14.611 6.467 3.447 1.00 0.00 O ATOM 27 CB LYS A 4 -16.690 5.356 5.050 1.00 0.00 C ATOM 28 CG LYS A 4 -17.558 4.500 5.976 1.00 0.00 C ATOM 29 CD LYS A 4 -18.708 3.876 5.174 1.00 0.00 C ATOM 30 CE LYS A 4 -18.175 2.722 4.327 1.00 0.00 C ATOM 31 NZ LYS A 4 -18.573 1.427 4.947 1.00 0.00 N ATOM 0 H LYS A 4 -15.441 5.513 7.312 1.00 0.00 H new ATOM 0 HA LYS A 4 -14.997 4.047 4.788 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.856 6.413 5.258 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.976 5.187 4.012 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.955 3.717 6.435 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -17.956 5.112 6.786 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -19.483 3.516 5.851 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -19.168 4.628 4.533 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.569 2.789 3.313 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -17.089 2.783 4.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -18.211 0.640 4.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -18.176 1.365 5.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -19.610 1.370 4.997 1.00 0.00 H new ATOM 45 N GLU A 5 -13.404 6.655 5.276 1.00 0.00 N ATOM 46 CA GLU A 5 -12.581 7.746 4.667 1.00 0.00 C ATOM 47 C GLU A 5 -11.110 7.587 5.053 1.00 0.00 C ATOM 48 O GLU A 5 -10.454 8.540 5.426 1.00 0.00 O ATOM 49 CB GLU A 5 -13.090 9.101 5.165 1.00 0.00 C ATOM 50 CG GLU A 5 -14.394 9.454 4.447 1.00 0.00 C ATOM 51 CD GLU A 5 -15.034 10.670 5.119 1.00 0.00 C ATOM 52 OE1 GLU A 5 -14.602 11.775 4.836 1.00 0.00 O ATOM 53 OE2 GLU A 5 -15.946 10.476 5.907 1.00 0.00 O ATOM 0 H GLU A 5 -13.152 6.400 6.231 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.668 7.689 3.582 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.254 9.066 6.242 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.342 9.872 4.981 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.197 9.668 3.397 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -15.079 8.606 4.477 1.00 0.00 H new ATOM 60 N LEU A 6 -10.580 6.402 4.954 1.00 0.00 N ATOM 61 CA LEU A 6 -9.158 6.200 5.297 1.00 0.00 C ATOM 62 C LEU A 6 -8.315 6.646 4.095 1.00 0.00 C ATOM 63 O LEU A 6 -8.611 6.306 2.970 1.00 0.00 O ATOM 64 CB LEU A 6 -8.951 4.717 5.618 1.00 0.00 C ATOM 65 CG LEU A 6 -7.509 4.440 6.042 1.00 0.00 C ATOM 66 CD1 LEU A 6 -7.169 5.249 7.292 1.00 0.00 C ATOM 67 CD2 LEU A 6 -7.368 2.954 6.356 1.00 0.00 C ATOM 0 H LEU A 6 -11.077 5.565 4.649 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.857 6.784 6.167 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.631 4.416 6.415 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.198 4.115 4.744 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.831 4.724 5.237 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.140 5.046 7.588 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.283 6.312 7.079 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.842 4.967 8.102 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.343 2.742 6.660 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.049 2.687 7.164 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.611 2.370 5.468 1.00 0.00 H new ATOM 79 N LYS A 7 -7.301 7.446 4.311 1.00 0.00 N ATOM 80 CA LYS A 7 -6.488 7.951 3.163 1.00 0.00 C ATOM 81 C LYS A 7 -5.526 6.881 2.639 1.00 0.00 C ATOM 82 O LYS A 7 -4.748 6.302 3.382 1.00 0.00 O ATOM 83 CB LYS A 7 -5.685 9.170 3.611 1.00 0.00 C ATOM 84 CG LYS A 7 -6.580 10.411 3.578 1.00 0.00 C ATOM 85 CD LYS A 7 -5.808 11.616 4.123 1.00 0.00 C ATOM 86 CE LYS A 7 -5.590 12.635 3.002 1.00 0.00 C ATOM 87 NZ LYS A 7 -4.665 13.703 3.476 1.00 0.00 N ATOM 0 H LYS A 7 -7.002 7.771 5.231 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.172 8.218 2.357 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.298 9.014 4.618 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.824 9.312 2.958 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.908 10.608 2.557 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.477 10.241 4.174 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.361 12.075 4.943 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.848 11.294 4.527 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.174 12.142 2.123 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.543 13.071 2.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.516 14.396 2.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.079 14.180 4.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.753 13.280 3.742 1.00 0.00 H new ATOM 101 N PHE A 8 -5.571 6.635 1.348 1.00 0.00 N ATOM 102 CA PHE A 8 -4.674 5.628 0.731 1.00 0.00 C ATOM 103 C PHE A 8 -3.706 6.316 -0.227 1.00 0.00 C ATOM 104 O PHE A 8 -4.010 7.347 -0.788 1.00 0.00 O ATOM 105 CB PHE A 8 -5.505 4.641 -0.096 1.00 0.00 C ATOM 106 CG PHE A 8 -6.379 3.796 0.795 1.00 0.00 C ATOM 107 CD1 PHE A 8 -7.577 4.321 1.277 1.00 0.00 C ATOM 108 CD2 PHE A 8 -5.999 2.493 1.134 1.00 0.00 C ATOM 109 CE1 PHE A 8 -8.397 3.547 2.101 1.00 0.00 C ATOM 110 CE2 PHE A 8 -6.821 1.715 1.964 1.00 0.00 C ATOM 111 CZ PHE A 8 -8.020 2.245 2.446 1.00 0.00 C ATOM 0 H PHE A 8 -6.203 7.100 0.696 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.132 5.114 1.525 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.124 5.187 -0.807 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.843 3.999 -0.677 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.871 5.326 1.013 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.073 2.086 0.757 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.325 3.955 2.473 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.527 0.710 2.229 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.656 1.650 3.085 1.00 0.00 H new ATOM 121 N LEU A 9 -2.559 5.725 -0.441 1.00 0.00 N ATOM 122 CA LEU A 9 -1.576 6.303 -1.408 1.00 0.00 C ATOM 123 C LEU A 9 -1.253 5.229 -2.452 1.00 0.00 C ATOM 124 O LEU A 9 -0.634 4.229 -2.144 1.00 0.00 O ATOM 125 CB LEU A 9 -0.294 6.724 -0.677 1.00 0.00 C ATOM 126 CG LEU A 9 0.785 7.120 -1.696 1.00 0.00 C ATOM 127 CD1 LEU A 9 0.257 8.229 -2.596 1.00 0.00 C ATOM 128 CD2 LEU A 9 2.022 7.627 -0.962 1.00 0.00 C ATOM 0 H LEU A 9 -2.259 4.863 0.014 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.998 7.186 -1.888 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.503 7.562 -0.012 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.065 5.905 -0.054 1.00 0.00 H new ATOM 0 HG LEU A 9 1.044 6.248 -2.297 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.024 8.508 -3.318 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.629 7.877 -3.125 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.003 9.097 -1.990 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.786 7.907 -1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.757 8.496 -0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.408 6.840 -0.314 1.00 0.00 H new ATOM 140 N VAL A 10 -1.670 5.419 -3.679 1.00 0.00 N ATOM 141 CA VAL A 10 -1.388 4.397 -4.727 1.00 0.00 C ATOM 142 C VAL A 10 -0.143 4.796 -5.522 1.00 0.00 C ATOM 143 O VAL A 10 -0.169 5.727 -6.298 1.00 0.00 O ATOM 144 CB VAL A 10 -2.587 4.286 -5.675 1.00 0.00 C ATOM 145 CG1 VAL A 10 -3.656 3.391 -5.046 1.00 0.00 C ATOM 146 CG2 VAL A 10 -3.184 5.672 -5.937 1.00 0.00 C ATOM 0 H VAL A 10 -2.192 6.236 -3.997 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.214 3.434 -4.247 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.251 3.855 -6.618 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.508 3.313 -5.721 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.241 2.399 -4.869 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.981 3.823 -4.100 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.035 5.580 -6.612 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.514 6.110 -4.995 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.429 6.314 -6.391 1.00 0.00 H new ATOM 156 N VAL A 11 0.945 4.091 -5.337 1.00 0.00 N ATOM 157 CA VAL A 11 2.192 4.416 -6.079 1.00 0.00 C ATOM 158 C VAL A 11 2.419 3.369 -7.171 1.00 0.00 C ATOM 159 O VAL A 11 3.457 2.741 -7.237 1.00 0.00 O ATOM 160 CB VAL A 11 3.380 4.422 -5.114 1.00 0.00 C ATOM 161 CG1 VAL A 11 4.664 4.760 -5.876 1.00 0.00 C ATOM 162 CG2 VAL A 11 3.143 5.474 -4.033 1.00 0.00 C ATOM 0 H VAL A 11 1.019 3.299 -4.698 1.00 0.00 H new ATOM 0 HA VAL A 11 2.098 5.402 -6.535 1.00 0.00 H new ATOM 0 HB VAL A 11 3.481 3.437 -4.657 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.507 4.763 -5.185 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.834 4.014 -6.652 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.567 5.744 -6.334 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.986 5.483 -3.343 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.043 6.456 -4.496 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.230 5.236 -3.487 1.00 0.00 H new ATOM 172 N ASP A 12 1.453 3.177 -8.027 1.00 0.00 N ATOM 173 CA ASP A 12 1.602 2.173 -9.117 1.00 0.00 C ATOM 174 C ASP A 12 2.030 2.876 -10.406 1.00 0.00 C ATOM 175 O ASP A 12 1.589 3.969 -10.703 1.00 0.00 O ATOM 176 CB ASP A 12 0.262 1.471 -9.344 1.00 0.00 C ATOM 177 CG ASP A 12 -0.834 2.520 -9.540 1.00 0.00 C ATOM 178 OD1 ASP A 12 -0.772 3.233 -10.528 1.00 0.00 O ATOM 179 OD2 ASP A 12 -1.713 2.595 -8.699 1.00 0.00 O ATOM 0 H ASP A 12 0.563 3.675 -8.018 1.00 0.00 H new ATOM 0 HA ASP A 12 2.358 1.440 -8.835 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.322 0.824 -10.219 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.023 0.834 -8.492 1.00 0.00 H new ATOM 184 N ASP A 13 2.881 2.258 -11.176 1.00 0.00 N ATOM 185 CA ASP A 13 3.331 2.891 -12.447 1.00 0.00 C ATOM 186 C ASP A 13 2.237 2.729 -13.504 1.00 0.00 C ATOM 187 O ASP A 13 1.205 3.369 -13.444 1.00 0.00 O ATOM 188 CB ASP A 13 4.613 2.211 -12.931 1.00 0.00 C ATOM 189 CG ASP A 13 5.062 2.846 -14.249 1.00 0.00 C ATOM 190 OD1 ASP A 13 4.335 3.683 -14.758 1.00 0.00 O ATOM 191 OD2 ASP A 13 6.126 2.485 -14.726 1.00 0.00 O ATOM 0 H ASP A 13 3.285 1.342 -10.980 1.00 0.00 H new ATOM 0 HA ASP A 13 3.526 3.950 -12.280 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.397 2.313 -12.180 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.441 1.144 -13.069 1.00 0.00 H new ATOM 196 N PHE A 14 2.450 1.875 -14.468 1.00 0.00 N ATOM 197 CA PHE A 14 1.419 1.668 -15.525 1.00 0.00 C ATOM 198 C PHE A 14 0.923 3.030 -16.025 1.00 0.00 C ATOM 199 O PHE A 14 1.579 4.038 -15.852 1.00 0.00 O ATOM 200 CB PHE A 14 0.248 0.869 -14.937 1.00 0.00 C ATOM 201 CG PHE A 14 -0.031 -0.343 -15.799 1.00 0.00 C ATOM 202 CD1 PHE A 14 -0.223 -0.199 -17.179 1.00 0.00 C ATOM 203 CD2 PHE A 14 -0.100 -1.616 -15.215 1.00 0.00 C ATOM 204 CE1 PHE A 14 -0.484 -1.322 -17.973 1.00 0.00 C ATOM 205 CE2 PHE A 14 -0.362 -2.738 -16.009 1.00 0.00 C ATOM 206 CZ PHE A 14 -0.553 -2.591 -17.388 1.00 0.00 C ATOM 0 H PHE A 14 3.294 1.311 -14.569 1.00 0.00 H new ATOM 0 HA PHE A 14 1.850 1.116 -16.360 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.484 0.556 -13.920 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.640 1.498 -14.879 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.170 0.780 -17.631 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.049 -1.731 -14.152 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.632 -1.209 -19.037 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.417 -3.718 -15.558 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.754 -3.458 -18.001 1.00 0.00 H new ATOM 216 N SER A 15 -0.230 3.065 -16.640 1.00 0.00 N ATOM 217 CA SER A 15 -0.776 4.355 -17.150 1.00 0.00 C ATOM 218 C SER A 15 -2.279 4.403 -16.878 1.00 0.00 C ATOM 219 O SER A 15 -2.993 5.232 -17.406 1.00 0.00 O ATOM 220 CB SER A 15 -0.526 4.457 -18.656 1.00 0.00 C ATOM 221 OG SER A 15 -0.580 5.822 -19.049 1.00 0.00 O ATOM 0 H SER A 15 -0.819 2.250 -16.811 1.00 0.00 H new ATOM 0 HA SER A 15 -0.284 5.187 -16.647 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.447 4.033 -18.904 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.273 3.880 -19.200 1.00 0.00 H new ATOM 0 HG SER A 15 -1.392 6.234 -18.688 1.00 0.00 H new ATOM 227 N THR A 16 -2.764 3.514 -16.055 1.00 0.00 N ATOM 228 CA THR A 16 -4.220 3.496 -15.742 1.00 0.00 C ATOM 229 C THR A 16 -4.457 2.641 -14.495 1.00 0.00 C ATOM 230 O THR A 16 -5.565 2.527 -14.008 1.00 0.00 O ATOM 231 CB THR A 16 -4.987 2.896 -16.922 1.00 0.00 C ATOM 232 OG1 THR A 16 -6.119 2.186 -16.438 1.00 0.00 O ATOM 233 CG2 THR A 16 -4.074 1.940 -17.694 1.00 0.00 C ATOM 0 H THR A 16 -2.212 2.797 -15.584 1.00 0.00 H new ATOM 0 HA THR A 16 -4.568 4.513 -15.561 1.00 0.00 H new ATOM 0 HB THR A 16 -5.316 3.696 -17.586 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.314 2.468 -15.520 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.621 1.513 -18.534 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.207 2.486 -18.066 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.743 1.139 -17.033 1.00 0.00 H new ATOM 241 N MET A 17 -3.422 2.037 -13.977 1.00 0.00 N ATOM 242 CA MET A 17 -3.584 1.188 -12.764 1.00 0.00 C ATOM 243 C MET A 17 -4.272 1.995 -11.661 1.00 0.00 C ATOM 244 O MET A 17 -5.180 1.522 -11.008 1.00 0.00 O ATOM 245 CB MET A 17 -2.207 0.726 -12.280 1.00 0.00 C ATOM 246 CG MET A 17 -2.365 -0.206 -11.077 1.00 0.00 C ATOM 247 SD MET A 17 -1.319 -1.666 -11.303 1.00 0.00 S ATOM 248 CE MET A 17 -2.650 -2.890 -11.378 1.00 0.00 C ATOM 0 H MET A 17 -2.471 2.095 -14.342 1.00 0.00 H new ATOM 0 HA MET A 17 -4.194 0.318 -13.007 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.683 0.210 -13.085 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.600 1.589 -12.006 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.087 0.315 -10.161 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.408 -0.505 -10.970 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.223 -3.883 -11.517 1.00 0.00 H new ATOM 0 HE2 MET A 17 -3.219 -2.866 -10.449 1.00 0.00 H new ATOM 0 HE3 MET A 17 -3.310 -2.659 -12.214 1.00 0.00 H new ATOM 258 N ARG A 18 -3.846 3.211 -11.446 1.00 0.00 N ATOM 259 CA ARG A 18 -4.480 4.046 -10.383 1.00 0.00 C ATOM 260 C ARG A 18 -5.998 3.956 -10.498 1.00 0.00 C ATOM 261 O ARG A 18 -6.699 3.794 -9.520 1.00 0.00 O ATOM 262 CB ARG A 18 -4.072 5.510 -10.550 1.00 0.00 C ATOM 263 CG ARG A 18 -2.945 5.628 -11.578 1.00 0.00 C ATOM 264 CD ARG A 18 -2.521 7.092 -11.704 1.00 0.00 C ATOM 265 NE ARG A 18 -2.869 7.596 -13.062 1.00 0.00 N ATOM 266 CZ ARG A 18 -3.910 8.366 -13.228 1.00 0.00 C ATOM 267 NH1 ARG A 18 -4.876 8.360 -12.349 1.00 0.00 N ATOM 268 NH2 ARG A 18 -3.987 9.141 -14.275 1.00 0.00 N ATOM 0 H ARG A 18 -3.088 3.662 -11.959 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.151 3.678 -9.411 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.930 6.100 -10.871 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.745 5.916 -9.593 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.095 5.017 -11.274 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.279 5.251 -12.544 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.019 7.693 -10.943 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.449 7.187 -11.533 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.293 7.339 -13.864 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.818 7.753 -11.531 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.689 8.962 -12.480 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.234 9.145 -14.963 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.800 9.743 -14.405 1.00 0.00 H new ATOM 282 N ARG A 19 -6.512 4.080 -11.688 1.00 0.00 N ATOM 283 CA ARG A 19 -7.986 4.024 -11.867 1.00 0.00 C ATOM 284 C ARG A 19 -8.539 2.743 -11.237 1.00 0.00 C ATOM 285 O ARG A 19 -9.450 2.776 -10.434 1.00 0.00 O ATOM 286 CB ARG A 19 -8.322 4.044 -13.359 1.00 0.00 C ATOM 287 CG ARG A 19 -7.812 5.345 -13.982 1.00 0.00 C ATOM 288 CD ARG A 19 -7.678 5.168 -15.495 1.00 0.00 C ATOM 289 NE ARG A 19 -7.207 6.443 -16.105 1.00 0.00 N ATOM 290 CZ ARG A 19 -6.711 6.445 -17.312 1.00 0.00 C ATOM 291 NH1 ARG A 19 -7.501 6.305 -18.342 1.00 0.00 N ATOM 292 NH2 ARG A 19 -5.426 6.587 -17.489 1.00 0.00 N ATOM 0 H ARG A 19 -5.975 4.218 -12.544 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.438 4.888 -11.380 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.866 3.188 -13.856 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.399 3.959 -13.501 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.500 6.161 -13.760 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.848 5.614 -13.550 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.975 4.365 -15.717 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.637 4.880 -15.924 1.00 0.00 H new ATOM 0 HE ARG A 19 -7.272 7.315 -15.579 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -8.505 6.194 -18.203 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.114 6.307 -19.286 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.809 6.696 -16.684 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.038 6.589 -18.432 1.00 0.00 H new ATOM 306 N ILE A 20 -7.997 1.614 -11.601 1.00 0.00 N ATOM 307 CA ILE A 20 -8.490 0.325 -11.037 1.00 0.00 C ATOM 308 C ILE A 20 -8.624 0.437 -9.515 1.00 0.00 C ATOM 309 O ILE A 20 -9.689 0.247 -8.961 1.00 0.00 O ATOM 310 CB ILE A 20 -7.496 -0.790 -11.390 1.00 0.00 C ATOM 311 CG1 ILE A 20 -7.889 -1.408 -12.734 1.00 0.00 C ATOM 312 CG2 ILE A 20 -7.510 -1.878 -10.309 1.00 0.00 C ATOM 313 CD1 ILE A 20 -7.910 -0.320 -13.810 1.00 0.00 C ATOM 0 H ILE A 20 -7.230 1.528 -12.268 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.468 0.093 -11.460 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.494 -0.366 -11.452 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.181 -2.191 -13.007 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.870 -1.878 -12.657 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.800 -2.662 -10.573 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.229 -1.442 -9.350 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.510 -2.304 -10.235 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.190 -0.760 -14.767 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -8.635 0.447 -13.538 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.920 0.129 -13.893 1.00 0.00 H new ATOM 325 N VAL A 21 -7.548 0.716 -8.834 1.00 0.00 N ATOM 326 CA VAL A 21 -7.613 0.807 -7.346 1.00 0.00 C ATOM 327 C VAL A 21 -8.562 1.930 -6.912 1.00 0.00 C ATOM 328 O VAL A 21 -9.315 1.781 -5.970 1.00 0.00 O ATOM 329 CB VAL A 21 -6.216 1.063 -6.778 1.00 0.00 C ATOM 330 CG1 VAL A 21 -5.812 -0.114 -5.890 1.00 0.00 C ATOM 331 CG2 VAL A 21 -5.210 1.198 -7.921 1.00 0.00 C ATOM 0 H VAL A 21 -6.628 0.885 -9.241 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.994 -0.138 -6.960 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.226 1.984 -6.194 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.817 0.063 -5.482 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.526 -0.215 -5.073 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.804 -1.030 -6.481 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.216 1.380 -7.512 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.198 0.278 -8.506 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.497 2.032 -8.562 1.00 0.00 H new ATOM 341 N ARG A 22 -8.537 3.053 -7.578 1.00 0.00 N ATOM 342 CA ARG A 22 -9.446 4.170 -7.180 1.00 0.00 C ATOM 343 C ARG A 22 -10.872 3.640 -7.033 1.00 0.00 C ATOM 344 O ARG A 22 -11.507 3.800 -6.011 1.00 0.00 O ATOM 345 CB ARG A 22 -9.425 5.248 -8.260 1.00 0.00 C ATOM 346 CG ARG A 22 -8.633 6.460 -7.766 1.00 0.00 C ATOM 347 CD ARG A 22 -8.622 7.539 -8.851 1.00 0.00 C ATOM 348 NE ARG A 22 -7.221 7.792 -9.288 1.00 0.00 N ATOM 349 CZ ARG A 22 -6.400 8.434 -8.502 1.00 0.00 C ATOM 350 NH1 ARG A 22 -6.672 8.553 -7.231 1.00 0.00 N ATOM 351 NH2 ARG A 22 -5.307 8.958 -8.987 1.00 0.00 N ATOM 0 H ARG A 22 -7.931 3.246 -8.376 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.110 4.589 -6.232 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.975 4.854 -9.171 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.443 5.545 -8.510 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.080 6.852 -6.853 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.613 6.166 -7.521 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.227 7.222 -9.700 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.066 8.458 -8.469 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.903 7.464 -10.200 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.526 8.144 -6.852 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.030 9.055 -6.617 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.094 8.866 -9.980 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.666 9.460 -8.373 1.00 0.00 H new ATOM 365 N ASN A 23 -11.373 3.005 -8.054 1.00 0.00 N ATOM 366 CA ASN A 23 -12.742 2.450 -8.007 1.00 0.00 C ATOM 367 C ASN A 23 -12.811 1.392 -6.919 1.00 0.00 C ATOM 368 O ASN A 23 -13.602 1.468 -6.000 1.00 0.00 O ATOM 369 CB ASN A 23 -12.998 1.787 -9.346 1.00 0.00 C ATOM 370 CG ASN A 23 -14.392 2.152 -9.857 1.00 0.00 C ATOM 371 OD1 ASN A 23 -15.205 1.284 -10.109 1.00 0.00 O ATOM 372 ND2 ASN A 23 -14.706 3.408 -10.022 1.00 0.00 N ATOM 0 H ASN A 23 -10.878 2.847 -8.932 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.475 3.230 -7.802 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.244 2.103 -10.067 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -12.911 0.705 -9.247 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -15.634 3.661 -10.362 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -14.024 4.136 -9.811 1.00 0.00 H new ATOM 379 N LEU A 24 -11.976 0.406 -7.042 1.00 0.00 N ATOM 380 CA LEU A 24 -11.934 -0.704 -6.047 1.00 0.00 C ATOM 381 C LEU A 24 -12.105 -0.137 -4.635 1.00 0.00 C ATOM 382 O LEU A 24 -13.021 -0.491 -3.921 1.00 0.00 O ATOM 383 CB LEU A 24 -10.570 -1.387 -6.170 1.00 0.00 C ATOM 384 CG LEU A 24 -10.551 -2.753 -5.458 1.00 0.00 C ATOM 385 CD1 LEU A 24 -9.949 -3.797 -6.399 1.00 0.00 C ATOM 386 CD2 LEU A 24 -9.691 -2.693 -4.188 1.00 0.00 C ATOM 0 H LEU A 24 -11.305 0.317 -7.805 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.736 -1.418 -6.233 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.324 -1.522 -7.223 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.801 -0.743 -5.743 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.573 -3.017 -5.186 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.932 -4.767 -5.903 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.553 -3.863 -7.304 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.932 -3.506 -6.662 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.692 -3.668 -3.702 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.669 -2.421 -4.453 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.100 -1.947 -3.506 1.00 0.00 H new ATOM 398 N LEU A 25 -11.234 0.747 -4.232 1.00 0.00 N ATOM 399 CA LEU A 25 -11.352 1.344 -2.871 1.00 0.00 C ATOM 400 C LEU A 25 -12.722 2.006 -2.734 1.00 0.00 C ATOM 401 O LEU A 25 -13.406 1.843 -1.744 1.00 0.00 O ATOM 402 CB LEU A 25 -10.255 2.395 -2.681 1.00 0.00 C ATOM 403 CG LEU A 25 -8.983 1.727 -2.150 1.00 0.00 C ATOM 404 CD1 LEU A 25 -7.826 2.724 -2.207 1.00 0.00 C ATOM 405 CD2 LEU A 25 -9.189 1.274 -0.698 1.00 0.00 C ATOM 0 H LEU A 25 -10.446 1.082 -4.786 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.243 0.566 -2.115 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.047 2.892 -3.628 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.591 3.163 -1.985 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.755 0.857 -2.766 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.919 2.251 -1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.668 3.040 -3.238 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.064 3.593 -1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.278 0.801 -0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.424 2.138 -0.077 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.012 0.561 -0.653 1.00 0.00 H new ATOM 417 N LYS A 26 -13.128 2.754 -3.722 1.00 0.00 N ATOM 418 CA LYS A 26 -14.449 3.425 -3.654 1.00 0.00 C ATOM 419 C LYS A 26 -15.536 2.384 -3.384 1.00 0.00 C ATOM 420 O LYS A 26 -16.449 2.610 -2.616 1.00 0.00 O ATOM 421 CB LYS A 26 -14.732 4.131 -4.982 1.00 0.00 C ATOM 422 CG LYS A 26 -15.539 5.405 -4.722 1.00 0.00 C ATOM 423 CD LYS A 26 -15.846 6.095 -6.053 1.00 0.00 C ATOM 424 CE LYS A 26 -15.238 7.499 -6.053 1.00 0.00 C ATOM 425 NZ LYS A 26 -15.890 8.322 -4.995 1.00 0.00 N ATOM 0 H LYS A 26 -12.597 2.928 -4.575 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.443 4.159 -2.848 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -13.795 4.377 -5.482 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -15.284 3.468 -5.648 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -16.467 5.161 -4.204 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -14.978 6.077 -4.072 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -15.440 5.511 -6.879 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -16.924 6.154 -6.204 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -14.164 7.442 -5.874 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -15.375 7.966 -7.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -15.861 9.325 -5.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -16.879 8.022 -4.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -15.385 8.194 -4.095 1.00 0.00 H new ATOM 439 N GLU A 27 -15.445 1.245 -4.012 1.00 0.00 N ATOM 440 CA GLU A 27 -16.469 0.194 -3.795 1.00 0.00 C ATOM 441 C GLU A 27 -16.375 -0.313 -2.356 1.00 0.00 C ATOM 442 O GLU A 27 -17.271 -0.968 -1.859 1.00 0.00 O ATOM 443 CB GLU A 27 -16.226 -0.965 -4.763 1.00 0.00 C ATOM 444 CG GLU A 27 -17.283 -2.047 -4.538 1.00 0.00 C ATOM 445 CD GLU A 27 -17.468 -2.854 -5.825 1.00 0.00 C ATOM 446 OE1 GLU A 27 -17.778 -2.252 -6.839 1.00 0.00 O ATOM 447 OE2 GLU A 27 -17.296 -4.061 -5.773 1.00 0.00 O ATOM 0 H GLU A 27 -14.703 0.999 -4.667 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.461 0.609 -3.972 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -16.269 -0.608 -5.792 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.229 -1.378 -4.610 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -16.978 -2.705 -3.724 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -18.228 -1.591 -4.243 1.00 0.00 H new ATOM 454 N LEU A 28 -15.293 -0.019 -1.685 1.00 0.00 N ATOM 455 CA LEU A 28 -15.127 -0.485 -0.279 1.00 0.00 C ATOM 456 C LEU A 28 -15.500 0.642 0.687 1.00 0.00 C ATOM 457 O LEU A 28 -15.371 0.506 1.887 1.00 0.00 O ATOM 458 CB LEU A 28 -13.667 -0.890 -0.046 1.00 0.00 C ATOM 459 CG LEU A 28 -13.550 -2.415 0.059 1.00 0.00 C ATOM 460 CD1 LEU A 28 -14.282 -2.908 1.311 1.00 0.00 C ATOM 461 CD2 LEU A 28 -14.167 -3.064 -1.183 1.00 0.00 C ATOM 0 H LEU A 28 -14.514 0.527 -2.053 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.779 -1.341 -0.104 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.046 -0.526 -0.865 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -13.295 -0.426 0.867 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.497 -2.689 0.128 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -14.195 -3.992 1.380 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -13.838 -2.451 2.196 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -15.335 -2.631 1.250 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -14.083 -4.148 -1.107 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -15.218 -2.786 -1.255 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.639 -2.721 -2.073 1.00 0.00 H new ATOM 473 N GLY A 29 -15.969 1.751 0.182 1.00 0.00 N ATOM 474 CA GLY A 29 -16.352 2.866 1.081 1.00 0.00 C ATOM 475 C GLY A 29 -15.142 3.763 1.353 1.00 0.00 C ATOM 476 O GLY A 29 -14.736 3.939 2.480 1.00 0.00 O ATOM 0 H GLY A 29 -16.102 1.929 -0.814 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.153 3.450 0.627 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.739 2.470 2.020 1.00 0.00 H new ATOM 480 N PHE A 30 -14.565 4.340 0.336 1.00 0.00 N ATOM 481 CA PHE A 30 -13.390 5.231 0.564 1.00 0.00 C ATOM 482 C PHE A 30 -13.351 6.315 -0.518 1.00 0.00 C ATOM 483 O PHE A 30 -13.596 6.055 -1.679 1.00 0.00 O ATOM 484 CB PHE A 30 -12.098 4.406 0.523 1.00 0.00 C ATOM 485 CG PHE A 30 -11.977 3.598 1.789 1.00 0.00 C ATOM 486 CD1 PHE A 30 -11.782 4.249 3.008 1.00 0.00 C ATOM 487 CD2 PHE A 30 -12.050 2.199 1.743 1.00 0.00 C ATOM 488 CE1 PHE A 30 -11.657 3.507 4.186 1.00 0.00 C ATOM 489 CE2 PHE A 30 -11.928 1.455 2.923 1.00 0.00 C ATOM 490 CZ PHE A 30 -11.731 2.109 4.144 1.00 0.00 C ATOM 0 H PHE A 30 -14.852 4.235 -0.637 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.479 5.703 1.542 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -12.103 3.745 -0.344 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.236 5.065 0.416 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.728 5.327 3.041 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.200 1.696 0.799 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.503 4.012 5.128 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.986 0.377 2.891 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.636 1.536 5.054 1.00 0.00 H new ATOM 500 N ASN A 31 -13.049 7.533 -0.145 1.00 0.00 N ATOM 501 CA ASN A 31 -13.003 8.632 -1.155 1.00 0.00 C ATOM 502 C ASN A 31 -11.916 9.644 -0.776 1.00 0.00 C ATOM 503 O ASN A 31 -12.196 10.789 -0.483 1.00 0.00 O ATOM 504 CB ASN A 31 -14.360 9.338 -1.197 1.00 0.00 C ATOM 505 CG ASN A 31 -14.370 10.362 -2.332 1.00 0.00 C ATOM 506 OD1 ASN A 31 -13.665 10.209 -3.310 1.00 0.00 O ATOM 507 ND2 ASN A 31 -15.147 11.407 -2.246 1.00 0.00 N ATOM 0 H ASN A 31 -12.833 7.813 0.812 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.775 8.211 -2.134 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.156 8.609 -1.345 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.553 9.833 -0.245 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -15.162 12.095 -2.999 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.739 11.536 -1.426 1.00 0.00 H new ATOM 514 N ASN A 32 -10.677 9.231 -0.787 1.00 0.00 N ATOM 515 CA ASN A 32 -9.566 10.165 -0.436 1.00 0.00 C ATOM 516 C ASN A 32 -8.231 9.458 -0.682 1.00 0.00 C ATOM 517 O ASN A 32 -7.758 8.696 0.137 1.00 0.00 O ATOM 518 CB ASN A 32 -9.678 10.572 1.039 1.00 0.00 C ATOM 519 CG ASN A 32 -9.343 12.058 1.184 1.00 0.00 C ATOM 520 OD1 ASN A 32 -8.197 12.448 1.073 1.00 0.00 O ATOM 521 ND2 ASN A 32 -10.301 12.909 1.431 1.00 0.00 N ATOM 0 H ASN A 32 -10.385 8.283 -1.025 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.626 11.062 -1.053 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.686 10.378 1.406 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.998 9.974 1.645 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -10.088 13.902 1.531 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -11.263 12.582 1.524 1.00 0.00 H new ATOM 528 N VAL A 33 -7.626 9.681 -1.820 1.00 0.00 N ATOM 529 CA VAL A 33 -6.337 8.993 -2.114 1.00 0.00 C ATOM 530 C VAL A 33 -5.466 9.860 -3.030 1.00 0.00 C ATOM 531 O VAL A 33 -5.965 10.654 -3.803 1.00 0.00 O ATOM 532 CB VAL A 33 -6.650 7.664 -2.804 1.00 0.00 C ATOM 533 CG1 VAL A 33 -7.827 7.856 -3.756 1.00 0.00 C ATOM 534 CG2 VAL A 33 -5.437 7.177 -3.600 1.00 0.00 C ATOM 0 H VAL A 33 -7.966 10.305 -2.552 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.791 8.820 -1.187 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.898 6.923 -2.044 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.053 6.911 -4.250 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.699 8.190 -3.194 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.570 8.605 -4.505 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.676 6.230 -4.085 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.178 7.917 -4.357 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.592 7.036 -2.926 1.00 0.00 H new ATOM 544 N GLU A 34 -4.167 9.685 -2.964 1.00 0.00 N ATOM 545 CA GLU A 34 -3.245 10.462 -3.842 1.00 0.00 C ATOM 546 C GLU A 34 -2.495 9.470 -4.731 1.00 0.00 C ATOM 547 O GLU A 34 -2.847 8.307 -4.798 1.00 0.00 O ATOM 548 CB GLU A 34 -2.259 11.265 -2.990 1.00 0.00 C ATOM 549 CG GLU A 34 -2.999 12.396 -2.268 1.00 0.00 C ATOM 550 CD GLU A 34 -2.434 13.744 -2.718 1.00 0.00 C ATOM 551 OE1 GLU A 34 -1.231 13.922 -2.621 1.00 0.00 O ATOM 552 OE2 GLU A 34 -3.214 14.575 -3.151 1.00 0.00 O ATOM 0 H GLU A 34 -3.706 9.030 -2.332 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.808 11.165 -4.456 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.776 10.612 -2.263 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.471 11.678 -3.620 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.066 12.345 -2.487 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.890 12.286 -1.189 1.00 0.00 H new ATOM 559 N GLU A 35 -1.486 9.904 -5.433 1.00 0.00 N ATOM 560 CA GLU A 35 -0.765 8.956 -6.329 1.00 0.00 C ATOM 561 C GLU A 35 0.708 9.343 -6.483 1.00 0.00 C ATOM 562 O GLU A 35 1.092 10.485 -6.323 1.00 0.00 O ATOM 563 CB GLU A 35 -1.442 8.973 -7.702 1.00 0.00 C ATOM 564 CG GLU A 35 -0.754 7.978 -8.638 1.00 0.00 C ATOM 565 CD GLU A 35 0.200 8.732 -9.568 1.00 0.00 C ATOM 566 OE1 GLU A 35 1.280 9.080 -9.121 1.00 0.00 O ATOM 567 OE2 GLU A 35 -0.168 8.949 -10.710 1.00 0.00 O ATOM 0 H GLU A 35 -1.132 10.861 -5.427 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.805 7.959 -5.890 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.497 8.718 -7.599 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.396 9.976 -8.127 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.204 7.237 -8.058 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.498 7.437 -9.223 1.00 0.00 H new ATOM 574 N ALA A 36 1.527 8.381 -6.816 1.00 0.00 N ATOM 575 CA ALA A 36 2.979 8.640 -7.018 1.00 0.00 C ATOM 576 C ALA A 36 3.475 7.738 -8.148 1.00 0.00 C ATOM 577 O ALA A 36 2.690 7.194 -8.900 1.00 0.00 O ATOM 578 CB ALA A 36 3.744 8.325 -5.733 1.00 0.00 C ATOM 0 H ALA A 36 1.244 7.411 -6.958 1.00 0.00 H new ATOM 0 HA ALA A 36 3.141 9.687 -7.274 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.806 8.516 -5.886 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.374 8.957 -4.925 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.598 7.277 -5.470 1.00 0.00 H new ATOM 584 N GLU A 37 4.765 7.580 -8.276 1.00 0.00 N ATOM 585 CA GLU A 37 5.314 6.716 -9.367 1.00 0.00 C ATOM 586 C GLU A 37 6.333 5.720 -8.803 1.00 0.00 C ATOM 587 O GLU A 37 6.695 4.764 -9.459 1.00 0.00 O ATOM 588 CB GLU A 37 5.998 7.597 -10.414 1.00 0.00 C ATOM 589 CG GLU A 37 5.014 8.656 -10.915 1.00 0.00 C ATOM 590 CD GLU A 37 5.102 8.757 -12.438 1.00 0.00 C ATOM 591 OE1 GLU A 37 6.208 8.860 -12.943 1.00 0.00 O ATOM 592 OE2 GLU A 37 4.061 8.730 -13.076 1.00 0.00 O ATOM 0 H GLU A 37 5.465 8.011 -7.673 1.00 0.00 H new ATOM 0 HA GLU A 37 4.493 6.161 -9.822 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.876 8.077 -9.982 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.346 6.986 -11.247 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.999 8.395 -10.616 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.241 9.621 -10.463 1.00 0.00 H new ATOM 599 N ASP A 38 6.795 5.923 -7.597 1.00 0.00 N ATOM 600 CA ASP A 38 7.791 4.973 -7.015 1.00 0.00 C ATOM 601 C ASP A 38 8.052 5.326 -5.548 1.00 0.00 C ATOM 602 O ASP A 38 7.465 6.241 -5.005 1.00 0.00 O ATOM 603 CB ASP A 38 9.105 5.056 -7.800 1.00 0.00 C ATOM 604 CG ASP A 38 9.933 6.238 -7.294 1.00 0.00 C ATOM 605 OD1 ASP A 38 9.515 7.363 -7.511 1.00 0.00 O ATOM 606 OD2 ASP A 38 10.973 5.998 -6.703 1.00 0.00 O ATOM 0 H ASP A 38 6.528 6.700 -6.992 1.00 0.00 H new ATOM 0 HA ASP A 38 7.393 3.960 -7.077 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.668 4.130 -7.685 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.898 5.173 -8.864 1.00 0.00 H new ATOM 611 N GLY A 39 8.928 4.603 -4.901 1.00 0.00 N ATOM 612 CA GLY A 39 9.225 4.890 -3.468 1.00 0.00 C ATOM 613 C GLY A 39 9.697 6.336 -3.309 1.00 0.00 C ATOM 614 O GLY A 39 9.290 7.030 -2.403 1.00 0.00 O ATOM 0 H GLY A 39 9.451 3.825 -5.304 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.334 4.721 -2.863 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.992 4.207 -3.103 1.00 0.00 H new ATOM 618 N VAL A 40 10.550 6.803 -4.179 1.00 0.00 N ATOM 619 CA VAL A 40 11.027 8.210 -4.058 1.00 0.00 C ATOM 620 C VAL A 40 9.839 9.148 -4.252 1.00 0.00 C ATOM 621 O VAL A 40 9.571 10.017 -3.442 1.00 0.00 O ATOM 622 CB VAL A 40 12.083 8.492 -5.128 1.00 0.00 C ATOM 623 CG1 VAL A 40 12.530 9.952 -5.030 1.00 0.00 C ATOM 624 CG2 VAL A 40 13.288 7.574 -4.906 1.00 0.00 C ATOM 0 H VAL A 40 10.935 6.276 -4.963 1.00 0.00 H new ATOM 0 HA VAL A 40 11.469 8.367 -3.074 1.00 0.00 H new ATOM 0 HB VAL A 40 11.660 8.307 -6.116 1.00 0.00 H new ATOM 0 HG11 VAL A 40 13.283 10.154 -5.792 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.672 10.606 -5.185 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.954 10.137 -4.043 1.00 0.00 H new ATOM 0 HG21 VAL A 40 14.042 7.773 -5.667 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.711 7.761 -3.919 1.00 0.00 H new ATOM 0 HG23 VAL A 40 12.970 6.534 -4.973 1.00 0.00 H new ATOM 634 N ASP A 41 9.111 8.960 -5.315 1.00 0.00 N ATOM 635 CA ASP A 41 7.925 9.818 -5.564 1.00 0.00 C ATOM 636 C ASP A 41 7.067 9.816 -4.307 1.00 0.00 C ATOM 637 O ASP A 41 6.645 10.845 -3.822 1.00 0.00 O ATOM 638 CB ASP A 41 7.124 9.237 -6.723 1.00 0.00 C ATOM 639 CG ASP A 41 6.110 10.271 -7.218 1.00 0.00 C ATOM 640 OD1 ASP A 41 6.089 11.361 -6.668 1.00 0.00 O ATOM 641 OD2 ASP A 41 5.372 9.956 -8.137 1.00 0.00 O ATOM 0 H ASP A 41 9.288 8.247 -6.023 1.00 0.00 H new ATOM 0 HA ASP A 41 8.233 10.834 -5.811 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.794 8.953 -7.535 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.608 8.331 -6.404 1.00 0.00 H new ATOM 646 N ALA A 42 6.818 8.657 -3.770 1.00 0.00 N ATOM 647 CA ALA A 42 5.999 8.577 -2.534 1.00 0.00 C ATOM 648 C ALA A 42 6.707 9.350 -1.422 1.00 0.00 C ATOM 649 O ALA A 42 6.111 10.158 -0.752 1.00 0.00 O ATOM 650 CB ALA A 42 5.839 7.116 -2.114 1.00 0.00 C ATOM 0 H ALA A 42 7.146 7.762 -4.134 1.00 0.00 H new ATOM 0 HA ALA A 42 5.014 9.006 -2.718 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.237 7.062 -1.207 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.345 6.560 -2.911 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.821 6.682 -1.925 1.00 0.00 H new ATOM 656 N LEU A 43 7.980 9.104 -1.230 1.00 0.00 N ATOM 657 CA LEU A 43 8.736 9.824 -0.161 1.00 0.00 C ATOM 658 C LEU A 43 8.310 11.291 -0.135 1.00 0.00 C ATOM 659 O LEU A 43 8.212 11.902 0.910 1.00 0.00 O ATOM 660 CB LEU A 43 10.237 9.730 -0.443 1.00 0.00 C ATOM 661 CG LEU A 43 11.006 9.765 0.879 1.00 0.00 C ATOM 662 CD1 LEU A 43 11.110 8.349 1.448 1.00 0.00 C ATOM 663 CD2 LEU A 43 12.411 10.320 0.637 1.00 0.00 C ATOM 0 H LEU A 43 8.528 8.434 -1.769 1.00 0.00 H new ATOM 0 HA LEU A 43 8.521 9.368 0.805 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.460 8.809 -0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.551 10.556 -1.081 1.00 0.00 H new ATOM 0 HG LEU A 43 10.479 10.404 1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.658 8.375 2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.110 7.952 1.621 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.637 7.710 0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 43 12.959 10.345 1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.937 9.681 -0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.339 11.329 0.232 1.00 0.00 H new ATOM 675 N ASN A 44 8.037 11.854 -1.279 1.00 0.00 N ATOM 676 CA ASN A 44 7.595 13.276 -1.314 1.00 0.00 C ATOM 677 C ASN A 44 6.158 13.362 -0.796 1.00 0.00 C ATOM 678 O ASN A 44 5.798 14.271 -0.074 1.00 0.00 O ATOM 679 CB ASN A 44 7.654 13.797 -2.751 1.00 0.00 C ATOM 680 CG ASN A 44 9.113 14.005 -3.162 1.00 0.00 C ATOM 681 OD1 ASN A 44 9.538 15.119 -3.395 1.00 0.00 O ATOM 682 ND2 ASN A 44 9.903 12.971 -3.265 1.00 0.00 N ATOM 0 H ASN A 44 8.100 11.394 -2.187 1.00 0.00 H new ATOM 0 HA ASN A 44 8.250 13.881 -0.688 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.173 13.088 -3.425 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.106 14.736 -2.831 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.877 13.099 -3.541 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.547 12.035 -3.069 1.00 0.00 H new ATOM 689 N LYS A 45 5.337 12.415 -1.160 1.00 0.00 N ATOM 690 CA LYS A 45 3.918 12.425 -0.696 1.00 0.00 C ATOM 691 C LYS A 45 3.840 11.883 0.736 1.00 0.00 C ATOM 692 O LYS A 45 3.290 12.518 1.614 1.00 0.00 O ATOM 693 CB LYS A 45 3.074 11.547 -1.620 1.00 0.00 C ATOM 694 CG LYS A 45 3.092 12.128 -3.035 1.00 0.00 C ATOM 695 CD LYS A 45 1.830 12.963 -3.261 1.00 0.00 C ATOM 696 CE LYS A 45 1.926 13.678 -4.610 1.00 0.00 C ATOM 697 NZ LYS A 45 0.667 14.433 -4.863 1.00 0.00 N ATOM 0 H LYS A 45 5.588 11.631 -1.762 1.00 0.00 H new ATOM 0 HA LYS A 45 3.538 13.446 -0.717 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.465 10.529 -1.629 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.050 11.492 -1.251 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.979 12.746 -3.174 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.145 11.324 -3.769 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.948 12.322 -3.239 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.715 13.692 -2.459 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.777 14.358 -4.613 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.094 12.953 -5.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.248 14.119 -5.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.004 14.258 -4.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.877 15.450 -4.916 1.00 0.00 H new ATOM 711 N LEU A 46 4.381 10.713 0.971 1.00 0.00 N ATOM 712 CA LEU A 46 4.344 10.118 2.339 1.00 0.00 C ATOM 713 C LEU A 46 4.652 11.204 3.374 1.00 0.00 C ATOM 714 O LEU A 46 4.321 11.080 4.536 1.00 0.00 O ATOM 715 CB LEU A 46 5.410 9.015 2.455 1.00 0.00 C ATOM 716 CG LEU A 46 4.766 7.629 2.632 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.874 7.600 3.875 1.00 0.00 C ATOM 718 CD2 LEU A 46 3.923 7.294 1.408 1.00 0.00 C ATOM 0 H LEU A 46 4.850 10.142 0.267 1.00 0.00 H new ATOM 0 HA LEU A 46 3.354 9.697 2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.036 9.016 1.562 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.063 9.225 3.302 1.00 0.00 H new ATOM 0 HG LEU A 46 5.562 6.894 2.750 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.429 6.611 3.981 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.473 7.825 4.758 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.084 8.344 3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.469 6.312 1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.140 8.043 1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.556 7.287 0.521 1.00 0.00 H new ATOM 730 N GLN A 47 5.280 12.270 2.956 1.00 0.00 N ATOM 731 CA GLN A 47 5.606 13.364 3.911 1.00 0.00 C ATOM 732 C GLN A 47 4.326 13.777 4.623 1.00 0.00 C ATOM 733 O GLN A 47 4.294 13.945 5.826 1.00 0.00 O ATOM 734 CB GLN A 47 6.179 14.559 3.146 1.00 0.00 C ATOM 735 CG GLN A 47 6.088 15.814 4.017 1.00 0.00 C ATOM 736 CD GLN A 47 7.192 16.796 3.616 1.00 0.00 C ATOM 737 OE1 GLN A 47 7.319 17.144 2.459 1.00 0.00 O ATOM 738 NE2 GLN A 47 8.000 17.258 4.529 1.00 0.00 N ATOM 0 H GLN A 47 5.581 12.429 1.994 1.00 0.00 H new ATOM 0 HA GLN A 47 6.344 13.022 4.636 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.217 14.367 2.874 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.629 14.707 2.217 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.110 16.281 3.899 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.189 15.547 5.069 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.893 16.965 5.500 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.739 17.912 4.272 1.00 0.00 H new ATOM 747 N ALA A 48 3.265 13.925 3.884 1.00 0.00 N ATOM 748 CA ALA A 48 1.977 14.310 4.509 1.00 0.00 C ATOM 749 C ALA A 48 1.734 13.398 5.709 1.00 0.00 C ATOM 750 O ALA A 48 1.445 13.849 6.800 1.00 0.00 O ATOM 751 CB ALA A 48 0.843 14.140 3.496 1.00 0.00 C ATOM 0 H ALA A 48 3.236 13.795 2.873 1.00 0.00 H new ATOM 0 HA ALA A 48 2.011 15.351 4.829 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.103 14.424 3.958 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.030 14.776 2.631 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.793 13.099 3.177 1.00 0.00 H new ATOM 757 N GLY A 49 1.861 12.115 5.514 1.00 0.00 N ATOM 758 CA GLY A 49 1.650 11.164 6.640 1.00 0.00 C ATOM 759 C GLY A 49 0.156 10.938 6.840 1.00 0.00 C ATOM 760 O GLY A 49 -0.261 9.958 7.419 1.00 0.00 O ATOM 0 H GLY A 49 2.102 11.684 4.622 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.147 10.217 6.429 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.094 11.560 7.553 1.00 0.00 H new ATOM 764 N GLY A 50 -0.657 11.837 6.360 1.00 0.00 N ATOM 765 CA GLY A 50 -2.125 11.666 6.523 1.00 0.00 C ATOM 766 C GLY A 50 -2.549 10.345 5.887 1.00 0.00 C ATOM 767 O GLY A 50 -3.677 9.917 6.019 1.00 0.00 O ATOM 0 H GLY A 50 -0.368 12.680 5.863 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.389 11.676 7.580 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.654 12.496 6.054 1.00 0.00 H new ATOM 771 N TYR A 51 -1.655 9.696 5.192 1.00 0.00 N ATOM 772 CA TYR A 51 -2.012 8.411 4.544 1.00 0.00 C ATOM 773 C TYR A 51 -2.181 7.327 5.592 1.00 0.00 C ATOM 774 O TYR A 51 -1.251 6.616 5.918 1.00 0.00 O ATOM 775 CB TYR A 51 -0.906 7.990 3.586 1.00 0.00 C ATOM 776 CG TYR A 51 -0.830 8.985 2.467 1.00 0.00 C ATOM 777 CD1 TYR A 51 -1.891 9.098 1.563 1.00 0.00 C ATOM 778 CD2 TYR A 51 0.289 9.808 2.345 1.00 0.00 C ATOM 779 CE1 TYR A 51 -1.828 10.042 0.534 1.00 0.00 C ATOM 780 CE2 TYR A 51 0.358 10.749 1.315 1.00 0.00 C ATOM 781 CZ TYR A 51 -0.703 10.869 0.408 1.00 0.00 C ATOM 782 OH TYR A 51 -0.639 11.801 -0.607 1.00 0.00 O ATOM 0 H TYR A 51 -0.693 10.004 5.047 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.946 8.547 4.000 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.048 7.939 4.111 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.107 6.994 3.192 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.756 8.458 1.660 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.104 9.718 3.048 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.647 10.134 -0.164 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.227 11.383 1.218 1.00 0.00 H new ATOM 0 HH TYR A 51 0.076 12.443 -0.417 1.00 0.00 H new ATOM 792 N GLY A 52 -3.361 7.162 6.102 1.00 0.00 N ATOM 793 CA GLY A 52 -3.568 6.088 7.096 1.00 0.00 C ATOM 794 C GLY A 52 -3.393 4.754 6.381 1.00 0.00 C ATOM 795 O GLY A 52 -3.648 3.713 6.931 1.00 0.00 O ATOM 0 H GLY A 52 -4.185 7.720 5.876 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.853 6.180 7.913 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.564 6.159 7.534 1.00 0.00 H new ATOM 799 N PHE A 53 -2.974 4.787 5.142 1.00 0.00 N ATOM 800 CA PHE A 53 -2.791 3.525 4.380 1.00 0.00 C ATOM 801 C PHE A 53 -1.971 3.814 3.109 1.00 0.00 C ATOM 802 O PHE A 53 -2.148 4.833 2.470 1.00 0.00 O ATOM 803 CB PHE A 53 -4.171 3.017 3.987 1.00 0.00 C ATOM 804 CG PHE A 53 -4.330 1.549 4.314 1.00 0.00 C ATOM 805 CD1 PHE A 53 -4.691 1.141 5.605 1.00 0.00 C ATOM 806 CD2 PHE A 53 -4.158 0.595 3.311 1.00 0.00 C ATOM 807 CE1 PHE A 53 -4.880 -0.208 5.885 1.00 0.00 C ATOM 808 CE2 PHE A 53 -4.341 -0.758 3.589 1.00 0.00 C ATOM 809 CZ PHE A 53 -4.708 -1.165 4.877 1.00 0.00 C ATOM 0 H PHE A 53 -2.751 5.639 4.627 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.266 2.783 4.982 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.935 3.593 4.509 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.328 3.173 2.920 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.823 1.876 6.385 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.882 0.906 2.314 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.160 -0.518 6.881 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.200 -1.493 2.810 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.858 -2.213 5.093 1.00 0.00 H new ATOM 819 N VAL A 54 -1.077 2.934 2.730 1.00 0.00 N ATOM 820 CA VAL A 54 -0.271 3.178 1.485 1.00 0.00 C ATOM 821 C VAL A 54 -0.285 1.928 0.609 1.00 0.00 C ATOM 822 O VAL A 54 0.206 0.884 0.990 1.00 0.00 O ATOM 823 CB VAL A 54 1.185 3.506 1.835 1.00 0.00 C ATOM 824 CG1 VAL A 54 1.913 4.055 0.601 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.245 4.550 2.955 1.00 0.00 C ATOM 0 H VAL A 54 -0.869 2.064 3.221 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.715 4.021 0.955 1.00 0.00 H new ATOM 0 HB VAL A 54 1.670 2.589 2.170 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.946 4.285 0.861 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.896 3.309 -0.194 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.415 4.962 0.258 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.286 4.771 3.191 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.745 5.462 2.629 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.747 4.160 3.843 1.00 0.00 H new ATOM 835 N ILE A 55 -0.827 2.035 -0.573 1.00 0.00 N ATOM 836 CA ILE A 55 -0.859 0.866 -1.495 1.00 0.00 C ATOM 837 C ILE A 55 0.297 1.012 -2.489 1.00 0.00 C ATOM 838 O ILE A 55 0.116 1.452 -3.608 1.00 0.00 O ATOM 839 CB ILE A 55 -2.189 0.843 -2.256 1.00 0.00 C ATOM 840 CG1 ILE A 55 -3.350 0.877 -1.256 1.00 0.00 C ATOM 841 CG2 ILE A 55 -2.280 -0.436 -3.091 1.00 0.00 C ATOM 842 CD1 ILE A 55 -4.661 1.140 -1.999 1.00 0.00 C ATOM 0 H ILE A 55 -1.251 2.887 -0.941 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.761 -0.061 -0.931 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.244 1.712 -2.912 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.408 -0.070 -0.719 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.180 1.655 -0.512 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.226 -0.451 -3.632 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.455 -0.465 -3.803 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.224 -1.304 -2.434 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.485 1.164 -1.286 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.601 2.098 -2.516 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.833 0.346 -2.726 1.00 0.00 H new ATOM 854 N SER A 56 1.485 0.667 -2.079 1.00 0.00 N ATOM 855 CA SER A 56 2.655 0.804 -2.990 1.00 0.00 C ATOM 856 C SER A 56 2.900 -0.512 -3.726 1.00 0.00 C ATOM 857 O SER A 56 2.724 -1.584 -3.181 1.00 0.00 O ATOM 858 CB SER A 56 3.893 1.165 -2.170 1.00 0.00 C ATOM 859 OG SER A 56 4.406 -0.010 -1.554 1.00 0.00 O ATOM 0 H SER A 56 1.697 0.296 -1.153 1.00 0.00 H new ATOM 0 HA SER A 56 2.453 1.589 -3.719 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.651 1.614 -2.812 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.638 1.906 -1.412 1.00 0.00 H new ATOM 0 HG SER A 56 5.069 -0.426 -2.144 1.00 0.00 H new ATOM 865 N ASP A 57 3.313 -0.438 -4.961 1.00 0.00 N ATOM 866 CA ASP A 57 3.580 -1.682 -5.734 1.00 0.00 C ATOM 867 C ASP A 57 5.056 -2.052 -5.588 1.00 0.00 C ATOM 868 O ASP A 57 5.932 -1.249 -5.841 1.00 0.00 O ATOM 869 CB ASP A 57 3.252 -1.451 -7.210 1.00 0.00 C ATOM 870 CG ASP A 57 1.739 -1.292 -7.377 1.00 0.00 C ATOM 871 OD1 ASP A 57 1.058 -1.199 -6.369 1.00 0.00 O ATOM 872 OD2 ASP A 57 1.288 -1.266 -8.510 1.00 0.00 O ATOM 0 H ASP A 57 3.477 0.432 -5.468 1.00 0.00 H new ATOM 0 HA ASP A 57 2.958 -2.492 -5.353 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.764 -0.560 -7.572 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.609 -2.289 -7.808 1.00 0.00 H new ATOM 877 N TRP A 58 5.340 -3.255 -5.172 1.00 0.00 N ATOM 878 CA TRP A 58 6.762 -3.661 -5.001 1.00 0.00 C ATOM 879 C TRP A 58 7.284 -4.284 -6.299 1.00 0.00 C ATOM 880 O TRP A 58 6.946 -5.398 -6.648 1.00 0.00 O ATOM 881 CB TRP A 58 6.870 -4.681 -3.863 1.00 0.00 C ATOM 882 CG TRP A 58 8.310 -4.984 -3.543 1.00 0.00 C ATOM 883 CD1 TRP A 58 9.402 -4.466 -4.170 1.00 0.00 C ATOM 884 CD2 TRP A 58 8.828 -5.878 -2.515 1.00 0.00 C ATOM 885 NE1 TRP A 58 10.541 -4.992 -3.593 1.00 0.00 N ATOM 886 CE2 TRP A 58 10.242 -5.865 -2.570 1.00 0.00 C ATOM 887 CE3 TRP A 58 8.213 -6.693 -1.548 1.00 0.00 C ATOM 888 CZ2 TRP A 58 11.016 -6.631 -1.701 1.00 0.00 C ATOM 889 CZ3 TRP A 58 8.990 -7.465 -0.671 1.00 0.00 C ATOM 890 CH2 TRP A 58 10.389 -7.434 -0.748 1.00 0.00 C ATOM 0 H TRP A 58 4.651 -3.972 -4.944 1.00 0.00 H new ATOM 0 HA TRP A 58 7.360 -2.782 -4.760 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.370 -4.294 -2.975 1.00 0.00 H new ATOM 0 HB3 TRP A 58 6.355 -5.600 -4.144 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.381 -3.759 -4.986 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.490 -4.762 -3.889 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.136 -6.725 -1.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 12.094 -6.603 -1.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 8.507 -8.087 0.068 1.00 0.00 H new ATOM 0 HH2 TRP A 58 10.981 -8.031 -0.070 1.00 0.00 H new ATOM 901 N ASN A 59 8.125 -3.576 -6.998 1.00 0.00 N ATOM 902 CA ASN A 59 8.700 -4.117 -8.257 1.00 0.00 C ATOM 903 C ASN A 59 9.952 -3.312 -8.606 1.00 0.00 C ATOM 904 O ASN A 59 10.862 -3.207 -7.808 1.00 0.00 O ATOM 905 CB ASN A 59 7.672 -4.021 -9.387 1.00 0.00 C ATOM 906 CG ASN A 59 8.107 -4.911 -10.552 1.00 0.00 C ATOM 907 OD1 ASN A 59 9.345 -5.319 -10.620 1.00 0.00 O flip ATOM 908 ND2 ASN A 59 7.312 -5.241 -11.410 1.00 0.00 N flip ATOM 0 H ASN A 59 8.440 -2.639 -6.748 1.00 0.00 H new ATOM 0 HA ASN A 59 8.964 -5.166 -8.126 1.00 0.00 H new ATOM 0 HB2 ASN A 59 6.691 -4.330 -9.027 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.579 -2.988 -9.721 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.344 -4.923 -11.358 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.613 -5.836 -12.182 1.00 0.00 H new ATOM 915 N MET A 60 10.021 -2.736 -9.775 1.00 0.00 N ATOM 916 CA MET A 60 11.238 -1.948 -10.109 1.00 0.00 C ATOM 917 C MET A 60 10.986 -0.949 -11.249 1.00 0.00 C ATOM 918 O MET A 60 11.684 -0.981 -12.242 1.00 0.00 O ATOM 919 CB MET A 60 12.354 -2.910 -10.525 1.00 0.00 C ATOM 920 CG MET A 60 13.712 -2.233 -10.330 1.00 0.00 C ATOM 921 SD MET A 60 15.014 -3.286 -11.019 1.00 0.00 S ATOM 922 CE MET A 60 16.393 -2.589 -10.077 1.00 0.00 C ATOM 0 H MET A 60 9.303 -2.775 -10.499 1.00 0.00 H new ATOM 0 HA MET A 60 11.522 -1.378 -9.224 1.00 0.00 H new ATOM 0 HB2 MET A 60 12.302 -3.822 -9.931 1.00 0.00 H new ATOM 0 HB3 MET A 60 12.227 -3.201 -11.568 1.00 0.00 H new ATOM 0 HG2 MET A 60 13.719 -1.259 -10.820 1.00 0.00 H new ATOM 0 HG3 MET A 60 13.894 -2.057 -9.270 1.00 0.00 H new ATOM 0 HE1 MET A 60 17.316 -3.101 -10.350 1.00 0.00 H new ATOM 0 HE2 MET A 60 16.488 -1.527 -10.302 1.00 0.00 H new ATOM 0 HE3 MET A 60 16.208 -2.718 -9.011 1.00 0.00 H new ATOM 932 N PRO A 61 10.034 -0.059 -11.071 1.00 0.00 N ATOM 933 CA PRO A 61 9.756 0.971 -12.087 1.00 0.00 C ATOM 934 C PRO A 61 10.994 1.861 -12.183 1.00 0.00 C ATOM 935 O PRO A 61 11.415 2.280 -13.242 1.00 0.00 O ATOM 936 CB PRO A 61 8.573 1.772 -11.528 1.00 0.00 C ATOM 937 CG PRO A 61 8.208 1.169 -10.148 1.00 0.00 C ATOM 938 CD PRO A 61 9.168 -0.001 -9.877 1.00 0.00 C ATOM 0 HA PRO A 61 9.529 0.567 -13.074 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.837 2.825 -11.428 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.721 1.720 -12.206 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.295 1.924 -9.366 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.174 0.824 -10.143 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.752 0.167 -8.972 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.624 -0.935 -9.736 1.00 0.00 H new ATOM 946 N ASN A 62 11.578 2.120 -11.046 1.00 0.00 N ATOM 947 CA ASN A 62 12.806 2.953 -10.962 1.00 0.00 C ATOM 948 C ASN A 62 13.446 2.657 -9.607 1.00 0.00 C ATOM 949 O ASN A 62 14.641 2.772 -9.419 1.00 0.00 O ATOM 950 CB ASN A 62 12.440 4.437 -11.051 1.00 0.00 C ATOM 951 CG ASN A 62 11.851 4.737 -12.430 1.00 0.00 C ATOM 952 OD1 ASN A 62 10.586 4.501 -12.653 1.00 0.00 O flip ATOM 953 ND2 ASN A 62 12.548 5.193 -13.315 1.00 0.00 N flip ATOM 0 H ASN A 62 11.243 1.777 -10.146 1.00 0.00 H new ATOM 0 HA ASN A 62 13.490 2.725 -11.780 1.00 0.00 H new ATOM 0 HB2 ASN A 62 11.720 4.692 -10.273 1.00 0.00 H new ATOM 0 HB3 ASN A 62 13.324 5.051 -10.880 1.00 0.00 H new ATOM 0 HD21 ASN A 62 13.536 5.378 -13.142 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.145 5.391 -14.231 1.00 0.00 H new ATOM 960 N MET A 63 12.631 2.250 -8.670 1.00 0.00 N ATOM 961 CA MET A 63 13.119 1.904 -7.306 1.00 0.00 C ATOM 962 C MET A 63 12.064 1.012 -6.646 1.00 0.00 C ATOM 963 O MET A 63 10.879 1.199 -6.842 1.00 0.00 O ATOM 964 CB MET A 63 13.303 3.180 -6.477 1.00 0.00 C ATOM 965 CG MET A 63 14.501 3.979 -7.002 1.00 0.00 C ATOM 966 SD MET A 63 15.032 5.162 -5.740 1.00 0.00 S ATOM 967 CE MET A 63 16.813 4.886 -5.903 1.00 0.00 C ATOM 0 H MET A 63 11.625 2.141 -8.798 1.00 0.00 H new ATOM 0 HA MET A 63 14.078 1.389 -7.366 1.00 0.00 H new ATOM 0 HB2 MET A 63 12.400 3.789 -6.526 1.00 0.00 H new ATOM 0 HB3 MET A 63 13.458 2.923 -5.429 1.00 0.00 H new ATOM 0 HG2 MET A 63 15.320 3.305 -7.252 1.00 0.00 H new ATOM 0 HG3 MET A 63 14.229 4.504 -7.918 1.00 0.00 H new ATOM 0 HE1 MET A 63 17.346 5.528 -5.202 1.00 0.00 H new ATOM 0 HE2 MET A 63 17.041 3.842 -5.686 1.00 0.00 H new ATOM 0 HE3 MET A 63 17.126 5.121 -6.920 1.00 0.00 H new ATOM 977 N ASP A 64 12.467 0.037 -5.877 1.00 0.00 N ATOM 978 CA ASP A 64 11.458 -0.855 -5.234 1.00 0.00 C ATOM 979 C ASP A 64 10.821 -0.134 -4.042 1.00 0.00 C ATOM 980 O ASP A 64 11.394 0.776 -3.478 1.00 0.00 O ATOM 981 CB ASP A 64 12.135 -2.145 -4.765 1.00 0.00 C ATOM 982 CG ASP A 64 13.220 -1.811 -3.740 1.00 0.00 C ATOM 983 OD1 ASP A 64 14.074 -0.999 -4.053 1.00 0.00 O ATOM 984 OD2 ASP A 64 13.179 -2.374 -2.658 1.00 0.00 O ATOM 0 H ASP A 64 13.441 -0.180 -5.667 1.00 0.00 H new ATOM 0 HA ASP A 64 10.681 -1.104 -5.957 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.397 -2.815 -4.324 1.00 0.00 H new ATOM 0 HB3 ASP A 64 12.572 -2.668 -5.615 1.00 0.00 H new ATOM 989 N GLY A 65 9.632 -0.523 -3.667 1.00 0.00 N ATOM 990 CA GLY A 65 8.953 0.153 -2.523 1.00 0.00 C ATOM 991 C GLY A 65 9.452 -0.419 -1.194 1.00 0.00 C ATOM 992 O GLY A 65 9.139 0.091 -0.138 1.00 0.00 O ATOM 0 H GLY A 65 9.102 -1.278 -4.102 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.145 1.225 -2.560 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.874 0.020 -2.602 1.00 0.00 H new ATOM 996 N LEU A 66 10.230 -1.465 -1.217 1.00 0.00 N ATOM 997 CA LEU A 66 10.727 -2.013 0.074 1.00 0.00 C ATOM 998 C LEU A 66 11.493 -0.903 0.785 1.00 0.00 C ATOM 999 O LEU A 66 11.260 -0.613 1.941 1.00 0.00 O ATOM 1000 CB LEU A 66 11.653 -3.211 -0.170 1.00 0.00 C ATOM 1001 CG LEU A 66 11.602 -4.175 1.029 1.00 0.00 C ATOM 1002 CD1 LEU A 66 11.912 -3.415 2.323 1.00 0.00 C ATOM 1003 CD2 LEU A 66 10.211 -4.812 1.144 1.00 0.00 C ATOM 0 H LEU A 66 10.538 -1.956 -2.056 1.00 0.00 H new ATOM 0 HA LEU A 66 9.889 -2.355 0.682 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.353 -3.733 -1.079 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.675 -2.865 -0.324 1.00 0.00 H new ATOM 0 HG LEU A 66 12.345 -4.957 0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 66 11.874 -4.103 3.167 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.907 -2.976 2.257 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.175 -2.625 2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.191 -5.491 1.996 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.464 -4.031 1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.989 -5.367 0.233 1.00 0.00 H new ATOM 1015 N GLU A 67 12.390 -0.260 0.091 1.00 0.00 N ATOM 1016 CA GLU A 67 13.146 0.851 0.718 1.00 0.00 C ATOM 1017 C GLU A 67 12.137 1.829 1.317 1.00 0.00 C ATOM 1018 O GLU A 67 12.468 2.670 2.131 1.00 0.00 O ATOM 1019 CB GLU A 67 13.986 1.559 -0.349 1.00 0.00 C ATOM 1020 CG GLU A 67 14.876 2.612 0.315 1.00 0.00 C ATOM 1021 CD GLU A 67 15.930 3.093 -0.684 1.00 0.00 C ATOM 1022 OE1 GLU A 67 15.909 2.620 -1.809 1.00 0.00 O ATOM 1023 OE2 GLU A 67 16.739 3.924 -0.308 1.00 0.00 O ATOM 0 H GLU A 67 12.630 -0.458 -0.881 1.00 0.00 H new ATOM 0 HA GLU A 67 13.810 0.473 1.495 1.00 0.00 H new ATOM 0 HB2 GLU A 67 14.600 0.834 -0.884 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.335 2.030 -1.085 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.271 3.453 0.655 1.00 0.00 H new ATOM 0 HG3 GLU A 67 15.360 2.191 1.196 1.00 0.00 H new ATOM 1030 N LEU A 68 10.896 1.714 0.916 1.00 0.00 N ATOM 1031 CA LEU A 68 9.842 2.619 1.450 1.00 0.00 C ATOM 1032 C LEU A 68 9.413 2.129 2.836 1.00 0.00 C ATOM 1033 O LEU A 68 9.455 2.864 3.799 1.00 0.00 O ATOM 1034 CB LEU A 68 8.640 2.611 0.497 1.00 0.00 C ATOM 1035 CG LEU A 68 7.957 3.982 0.495 1.00 0.00 C ATOM 1036 CD1 LEU A 68 8.880 5.034 -0.135 1.00 0.00 C ATOM 1037 CD2 LEU A 68 6.661 3.893 -0.315 1.00 0.00 C ATOM 0 H LEU A 68 10.569 1.026 0.237 1.00 0.00 H new ATOM 0 HA LEU A 68 10.229 3.635 1.532 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.968 2.359 -0.511 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.929 1.843 0.803 1.00 0.00 H new ATOM 0 HG LEU A 68 7.737 4.275 1.522 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.383 6.004 -0.130 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.804 5.097 0.439 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.109 4.749 -1.162 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.168 4.865 -0.321 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.891 3.596 -1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.999 3.154 0.137 1.00 0.00 H new ATOM 1049 N LEU A 69 9.017 0.888 2.949 1.00 0.00 N ATOM 1050 CA LEU A 69 8.609 0.352 4.285 1.00 0.00 C ATOM 1051 C LEU A 69 9.773 0.553 5.257 1.00 0.00 C ATOM 1052 O LEU A 69 9.660 1.227 6.258 1.00 0.00 O ATOM 1053 CB LEU A 69 8.332 -1.141 4.157 1.00 0.00 C ATOM 1054 CG LEU A 69 7.022 -1.527 4.854 1.00 0.00 C ATOM 1055 CD1 LEU A 69 6.804 -3.038 4.714 1.00 0.00 C ATOM 1056 CD2 LEU A 69 7.060 -1.182 6.351 1.00 0.00 C ATOM 0 H LEU A 69 8.958 0.223 2.178 1.00 0.00 H new ATOM 0 HA LEU A 69 7.717 0.865 4.643 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.280 -1.414 3.103 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.157 -1.705 4.592 1.00 0.00 H new ATOM 0 HG LEU A 69 6.213 -0.968 4.384 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.874 -3.319 5.208 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.748 -3.301 3.658 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.635 -3.570 5.177 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.116 -1.469 6.815 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.877 -1.722 6.828 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.214 -0.110 6.474 1.00 0.00 H new ATOM 1068 N LYS A 70 10.896 -0.039 4.958 1.00 0.00 N ATOM 1069 CA LYS A 70 12.083 0.107 5.848 1.00 0.00 C ATOM 1070 C LYS A 70 12.237 1.576 6.253 1.00 0.00 C ATOM 1071 O LYS A 70 12.345 1.899 7.420 1.00 0.00 O ATOM 1072 CB LYS A 70 13.335 -0.352 5.093 1.00 0.00 C ATOM 1073 CG LYS A 70 14.404 -0.819 6.086 1.00 0.00 C ATOM 1074 CD LYS A 70 14.837 0.353 6.972 1.00 0.00 C ATOM 1075 CE LYS A 70 16.253 0.096 7.492 1.00 0.00 C ATOM 1076 NZ LYS A 70 16.674 1.230 8.362 1.00 0.00 N ATOM 0 H LYS A 70 11.044 -0.620 4.133 1.00 0.00 H new ATOM 0 HA LYS A 70 11.951 -0.502 6.743 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.081 -1.163 4.411 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.723 0.465 4.486 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.012 -1.628 6.703 1.00 0.00 H new ATOM 0 HG3 LYS A 70 15.264 -1.217 5.548 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.809 1.283 6.404 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.146 0.468 7.807 1.00 0.00 H new ATOM 0 HE2 LYS A 70 16.282 -0.838 8.053 1.00 0.00 H new ATOM 0 HE3 LYS A 70 16.945 -0.012 6.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 17.636 1.057 8.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.661 2.113 7.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.019 1.313 9.165 1.00 0.00 H new ATOM 1090 N THR A 71 12.238 2.470 5.302 1.00 0.00 N ATOM 1091 CA THR A 71 12.377 3.915 5.640 1.00 0.00 C ATOM 1092 C THR A 71 11.195 4.345 6.513 1.00 0.00 C ATOM 1093 O THR A 71 11.351 5.071 7.475 1.00 0.00 O ATOM 1094 CB THR A 71 12.391 4.744 4.354 1.00 0.00 C ATOM 1095 OG1 THR A 71 11.369 4.281 3.483 1.00 0.00 O ATOM 1096 CG2 THR A 71 13.752 4.603 3.671 1.00 0.00 C ATOM 0 H THR A 71 12.149 2.263 4.307 1.00 0.00 H new ATOM 0 HA THR A 71 13.309 4.075 6.181 1.00 0.00 H new ATOM 0 HB THR A 71 12.215 5.793 4.594 1.00 0.00 H new ATOM 0 HG1 THR A 71 11.772 3.950 2.653 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.762 5.193 2.755 1.00 0.00 H new ATOM 0 HG22 THR A 71 14.534 4.960 4.341 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.931 3.555 3.429 1.00 0.00 H new ATOM 1104 N ILE A 72 10.013 3.891 6.192 1.00 0.00 N ATOM 1105 CA ILE A 72 8.824 4.262 7.006 1.00 0.00 C ATOM 1106 C ILE A 72 9.051 3.791 8.443 1.00 0.00 C ATOM 1107 O ILE A 72 8.452 4.289 9.371 1.00 0.00 O ATOM 1108 CB ILE A 72 7.575 3.579 6.428 1.00 0.00 C ATOM 1109 CG1 ILE A 72 7.126 4.311 5.151 1.00 0.00 C ATOM 1110 CG2 ILE A 72 6.451 3.607 7.463 1.00 0.00 C ATOM 1111 CD1 ILE A 72 6.377 3.347 4.209 1.00 0.00 C ATOM 0 H ILE A 72 9.821 3.278 5.399 1.00 0.00 H new ATOM 0 HA ILE A 72 8.679 5.342 6.988 1.00 0.00 H new ATOM 0 HB ILE A 72 7.811 2.544 6.181 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.479 5.148 5.413 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.994 4.727 4.639 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.566 3.122 7.052 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.770 3.078 8.361 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.214 4.641 7.715 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.067 3.883 3.312 1.00 0.00 H new ATOM 0 HD12 ILE A 72 7.036 2.524 3.931 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.497 2.952 4.717 1.00 0.00 H new ATOM 1123 N ARG A 73 9.922 2.836 8.632 1.00 0.00 N ATOM 1124 CA ARG A 73 10.195 2.338 10.009 1.00 0.00 C ATOM 1125 C ARG A 73 11.336 3.154 10.624 1.00 0.00 C ATOM 1126 O ARG A 73 11.470 3.242 11.828 1.00 0.00 O ATOM 1127 CB ARG A 73 10.599 0.863 9.952 1.00 0.00 C ATOM 1128 CG ARG A 73 10.971 0.383 11.357 1.00 0.00 C ATOM 1129 CD ARG A 73 10.573 -1.084 11.523 1.00 0.00 C ATOM 1130 NE ARG A 73 10.943 -1.548 12.890 1.00 0.00 N ATOM 1131 CZ ARG A 73 12.096 -2.125 13.095 1.00 0.00 C ATOM 1132 NH1 ARG A 73 13.203 -1.469 12.873 1.00 0.00 N ATOM 1133 NH2 ARG A 73 12.143 -3.355 13.525 1.00 0.00 N ATOM 0 H ARG A 73 10.456 2.380 7.892 1.00 0.00 H new ATOM 0 HA ARG A 73 9.297 2.443 10.618 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.778 0.265 9.557 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.443 0.732 9.275 1.00 0.00 H new ATOM 0 HG2 ARG A 73 12.042 0.500 11.520 1.00 0.00 H new ATOM 0 HG3 ARG A 73 10.466 0.994 12.106 1.00 0.00 H new ATOM 0 HD2 ARG A 73 9.501 -1.201 11.366 1.00 0.00 H new ATOM 0 HD3 ARG A 73 11.074 -1.695 10.772 1.00 0.00 H new ATOM 0 HE ARG A 73 10.295 -1.415 13.666 1.00 0.00 H new ATOM 0 HH11 ARG A 73 13.167 -0.506 12.539 1.00 0.00 H new ATOM 0 HH12 ARG A 73 14.104 -1.920 13.033 1.00 0.00 H new ATOM 0 HH21 ARG A 73 11.279 -3.867 13.701 1.00 0.00 H new ATOM 0 HH22 ARG A 73 13.044 -3.805 13.685 1.00 0.00 H new ATOM 1147 N ALA A 74 12.159 3.751 9.802 1.00 0.00 N ATOM 1148 CA ALA A 74 13.293 4.562 10.334 1.00 0.00 C ATOM 1149 C ALA A 74 12.789 5.472 11.454 1.00 0.00 C ATOM 1150 O ALA A 74 13.516 5.811 12.367 1.00 0.00 O ATOM 1151 CB ALA A 74 13.882 5.416 9.211 1.00 0.00 C ATOM 0 H ALA A 74 12.094 3.712 8.785 1.00 0.00 H new ATOM 0 HA ALA A 74 14.062 3.896 10.725 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.710 6.008 9.600 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.243 4.768 8.412 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.113 6.082 8.819 1.00 0.00 H new ATOM 1157 N ASP A 75 11.548 5.868 11.395 1.00 0.00 N ATOM 1158 CA ASP A 75 10.997 6.752 12.459 1.00 0.00 C ATOM 1159 C ASP A 75 10.672 5.910 13.695 1.00 0.00 C ATOM 1160 O ASP A 75 11.150 6.172 14.780 1.00 0.00 O ATOM 1161 CB ASP A 75 9.724 7.431 11.949 1.00 0.00 C ATOM 1162 CG ASP A 75 9.809 8.937 12.210 1.00 0.00 C ATOM 1163 OD1 ASP A 75 9.982 9.309 13.359 1.00 0.00 O ATOM 1164 OD2 ASP A 75 9.702 9.690 11.257 1.00 0.00 O ATOM 0 H ASP A 75 10.892 5.617 10.656 1.00 0.00 H new ATOM 0 HA ASP A 75 11.731 7.514 12.721 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.601 7.242 10.883 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.851 7.013 12.450 1.00 0.00 H new ATOM 1169 N GLY A 76 9.864 4.897 13.536 1.00 0.00 N ATOM 1170 CA GLY A 76 9.513 4.033 14.700 1.00 0.00 C ATOM 1171 C GLY A 76 8.469 4.733 15.572 1.00 0.00 C ATOM 1172 O GLY A 76 7.394 4.218 15.801 1.00 0.00 O ATOM 0 H GLY A 76 9.432 4.630 12.651 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.125 3.076 14.350 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.406 3.819 15.287 1.00 0.00 H new ATOM 1176 N ALA A 77 8.781 5.901 16.064 1.00 0.00 N ATOM 1177 CA ALA A 77 7.808 6.634 16.926 1.00 0.00 C ATOM 1178 C ALA A 77 6.421 6.600 16.281 1.00 0.00 C ATOM 1179 O ALA A 77 5.468 6.123 16.867 1.00 0.00 O ATOM 1180 CB ALA A 77 8.262 8.086 17.084 1.00 0.00 C ATOM 0 H ALA A 77 9.668 6.380 15.907 1.00 0.00 H new ATOM 0 HA ALA A 77 7.762 6.158 17.905 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.552 8.623 17.713 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.248 8.110 17.547 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.309 8.561 16.104 1.00 0.00 H new ATOM 1186 N MET A 78 6.304 7.103 15.078 1.00 0.00 N ATOM 1187 CA MET A 78 4.983 7.110 14.380 1.00 0.00 C ATOM 1188 C MET A 78 5.143 6.510 12.984 1.00 0.00 C ATOM 1189 O MET A 78 4.174 6.251 12.298 1.00 0.00 O ATOM 1190 CB MET A 78 4.480 8.550 14.258 1.00 0.00 C ATOM 1191 CG MET A 78 4.503 9.219 15.634 1.00 0.00 C ATOM 1192 SD MET A 78 4.015 10.955 15.466 1.00 0.00 S ATOM 1193 CE MET A 78 4.244 11.424 17.198 1.00 0.00 C ATOM 0 H MET A 78 7.072 7.512 14.546 1.00 0.00 H new ATOM 0 HA MET A 78 4.266 6.520 14.951 1.00 0.00 H new ATOM 0 HB2 MET A 78 5.106 9.107 13.561 1.00 0.00 H new ATOM 0 HB3 MET A 78 3.467 8.559 13.855 1.00 0.00 H new ATOM 0 HG2 MET A 78 3.824 8.703 16.313 1.00 0.00 H new ATOM 0 HG3 MET A 78 5.501 9.150 16.067 1.00 0.00 H new ATOM 0 HE1 MET A 78 3.995 12.477 17.326 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.593 10.818 17.828 1.00 0.00 H new ATOM 0 HE3 MET A 78 5.283 11.260 17.485 1.00 0.00 H new ATOM 1203 N SER A 79 6.358 6.287 12.558 1.00 0.00 N ATOM 1204 CA SER A 79 6.576 5.703 11.204 1.00 0.00 C ATOM 1205 C SER A 79 5.694 6.437 10.195 1.00 0.00 C ATOM 1206 O SER A 79 5.747 7.644 10.072 1.00 0.00 O ATOM 1207 CB SER A 79 6.205 4.219 11.225 1.00 0.00 C ATOM 1208 OG SER A 79 4.851 4.079 11.632 1.00 0.00 O ATOM 0 H SER A 79 7.207 6.484 13.088 1.00 0.00 H new ATOM 0 HA SER A 79 7.623 5.809 10.920 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.346 3.783 10.236 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.860 3.678 11.908 1.00 0.00 H new ATOM 0 HG SER A 79 4.367 4.912 11.451 1.00 0.00 H new ATOM 1214 N ALA A 80 4.872 5.720 9.485 1.00 0.00 N ATOM 1215 CA ALA A 80 3.975 6.378 8.500 1.00 0.00 C ATOM 1216 C ALA A 80 2.694 5.556 8.371 1.00 0.00 C ATOM 1217 O ALA A 80 2.291 5.171 7.291 1.00 0.00 O ATOM 1218 CB ALA A 80 4.670 6.484 7.142 1.00 0.00 C ATOM 0 H ALA A 80 4.783 4.706 9.545 1.00 0.00 H new ATOM 0 HA ALA A 80 3.733 7.384 8.842 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.003 6.968 6.429 1.00 0.00 H new ATOM 0 HB2 ALA A 80 5.581 7.074 7.245 1.00 0.00 H new ATOM 0 HB3 ALA A 80 4.922 5.486 6.784 1.00 0.00 H new ATOM 1224 N LEU A 81 2.033 5.318 9.476 1.00 0.00 N ATOM 1225 CA LEU A 81 0.768 4.558 9.462 1.00 0.00 C ATOM 1226 C LEU A 81 0.927 3.295 8.564 1.00 0.00 C ATOM 1227 O LEU A 81 2.021 3.022 8.110 1.00 0.00 O ATOM 1228 CB LEU A 81 -0.332 5.524 9.009 1.00 0.00 C ATOM 1229 CG LEU A 81 0.063 6.987 9.306 1.00 0.00 C ATOM 1230 CD1 LEU A 81 -1.133 7.902 9.039 1.00 0.00 C ATOM 1231 CD2 LEU A 81 0.464 7.139 10.778 1.00 0.00 C ATOM 0 H LEU A 81 2.331 5.629 10.400 1.00 0.00 H new ATOM 0 HA LEU A 81 0.493 4.177 10.445 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.512 5.401 7.941 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.265 5.284 9.519 1.00 0.00 H new ATOM 0 HG LEU A 81 0.902 7.257 8.665 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.855 8.935 9.248 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.434 7.812 7.995 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.964 7.612 9.683 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.740 8.175 10.975 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.376 6.860 11.415 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.313 6.490 10.993 1.00 0.00 H new ATOM 1243 N PRO A 82 -0.127 2.509 8.393 1.00 0.00 N ATOM 1244 CA PRO A 82 -0.048 1.238 7.628 1.00 0.00 C ATOM 1245 C PRO A 82 0.302 1.396 6.141 1.00 0.00 C ATOM 1246 O PRO A 82 -0.055 2.353 5.478 1.00 0.00 O ATOM 1247 CB PRO A 82 -1.441 0.604 7.765 1.00 0.00 C ATOM 1248 CG PRO A 82 -2.292 1.529 8.661 1.00 0.00 C ATOM 1249 CD PRO A 82 -1.472 2.800 8.930 1.00 0.00 C ATOM 0 HA PRO A 82 0.764 0.633 8.032 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.906 0.487 6.786 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.367 -0.391 8.204 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.233 1.777 8.170 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.543 1.030 9.597 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.914 3.666 8.438 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.431 3.025 9.996 1.00 0.00 H new ATOM 1257 N VAL A 83 0.964 0.395 5.622 1.00 0.00 N ATOM 1258 CA VAL A 83 1.333 0.354 4.180 1.00 0.00 C ATOM 1259 C VAL A 83 1.099 -1.055 3.699 1.00 0.00 C ATOM 1260 O VAL A 83 1.834 -1.947 4.068 1.00 0.00 O ATOM 1261 CB VAL A 83 2.817 0.612 3.964 1.00 0.00 C ATOM 1262 CG1 VAL A 83 3.176 0.187 2.532 1.00 0.00 C ATOM 1263 CG2 VAL A 83 3.139 2.075 4.196 1.00 0.00 C ATOM 0 H VAL A 83 1.272 -0.418 6.156 1.00 0.00 H new ATOM 0 HA VAL A 83 0.746 1.111 3.660 1.00 0.00 H new ATOM 0 HB VAL A 83 3.407 0.033 4.675 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.237 0.364 2.355 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.958 -0.873 2.402 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.588 0.768 1.822 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.204 2.243 4.037 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.568 2.688 3.499 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.877 2.348 5.218 1.00 0.00 H new ATOM 1273 N LEU A 84 0.127 -1.292 2.877 1.00 0.00 N ATOM 1274 CA LEU A 84 -0.048 -2.683 2.427 1.00 0.00 C ATOM 1275 C LEU A 84 0.787 -2.859 1.176 1.00 0.00 C ATOM 1276 O LEU A 84 0.459 -2.372 0.112 1.00 0.00 O ATOM 1277 CB LEU A 84 -1.530 -2.990 2.160 1.00 0.00 C ATOM 1278 CG LEU A 84 -1.741 -4.450 1.682 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -0.761 -5.426 2.344 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -3.157 -4.893 2.042 1.00 0.00 C ATOM 0 H LEU A 84 -0.533 -0.607 2.509 1.00 0.00 H new ATOM 0 HA LEU A 84 0.279 -3.381 3.198 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.106 -2.819 3.070 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.913 -2.302 1.406 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.573 -4.466 0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.949 -6.435 1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.261 -5.136 2.101 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.898 -5.402 3.425 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.313 -5.919 1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.292 -4.838 3.122 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.878 -4.239 1.552 1.00 0.00 H new ATOM 1292 N MET A 85 1.891 -3.530 1.313 1.00 0.00 N ATOM 1293 CA MET A 85 2.785 -3.713 0.151 1.00 0.00 C ATOM 1294 C MET A 85 2.142 -4.708 -0.829 1.00 0.00 C ATOM 1295 O MET A 85 2.041 -5.887 -0.543 1.00 0.00 O ATOM 1296 CB MET A 85 4.130 -4.258 0.641 1.00 0.00 C ATOM 1297 CG MET A 85 5.143 -4.244 -0.508 1.00 0.00 C ATOM 1298 SD MET A 85 5.744 -2.556 -0.757 1.00 0.00 S ATOM 1299 CE MET A 85 7.246 -2.703 0.242 1.00 0.00 C ATOM 0 H MET A 85 2.210 -3.959 2.182 1.00 0.00 H new ATOM 0 HA MET A 85 2.942 -2.761 -0.357 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.498 -3.654 1.470 1.00 0.00 H new ATOM 0 HB3 MET A 85 4.006 -5.274 1.017 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.976 -4.909 -0.281 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.679 -4.615 -1.422 1.00 0.00 H new ATOM 0 HE1 MET A 85 7.523 -1.722 0.630 1.00 0.00 H new ATOM 0 HE2 MET A 85 7.065 -3.384 1.074 1.00 0.00 H new ATOM 0 HE3 MET A 85 8.057 -3.091 -0.375 1.00 0.00 H new ATOM 1309 N VAL A 86 1.694 -4.251 -1.975 1.00 0.00 N ATOM 1310 CA VAL A 86 1.057 -5.181 -2.949 1.00 0.00 C ATOM 1311 C VAL A 86 2.046 -5.504 -4.067 1.00 0.00 C ATOM 1312 O VAL A 86 2.779 -4.652 -4.523 1.00 0.00 O ATOM 1313 CB VAL A 86 -0.212 -4.536 -3.519 1.00 0.00 C ATOM 1314 CG1 VAL A 86 -0.834 -3.611 -2.473 1.00 0.00 C ATOM 1315 CG2 VAL A 86 0.100 -3.719 -4.773 1.00 0.00 C ATOM 0 H VAL A 86 1.744 -3.277 -2.273 1.00 0.00 H new ATOM 0 HA VAL A 86 0.781 -6.109 -2.448 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.906 -5.335 -3.781 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.736 -3.154 -2.881 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.090 -4.187 -1.584 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.121 -2.831 -2.207 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.819 -3.274 -5.155 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.810 -2.930 -4.526 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.531 -4.370 -5.534 1.00 0.00 H new ATOM 1325 N THR A 87 2.081 -6.733 -4.513 1.00 0.00 N ATOM 1326 CA THR A 87 3.042 -7.085 -5.603 1.00 0.00 C ATOM 1327 C THR A 87 2.481 -8.223 -6.457 1.00 0.00 C ATOM 1328 O THR A 87 1.636 -8.977 -6.026 1.00 0.00 O ATOM 1329 CB THR A 87 4.389 -7.494 -4.993 1.00 0.00 C ATOM 1330 OG1 THR A 87 5.439 -7.089 -5.861 1.00 0.00 O ATOM 1331 CG2 THR A 87 4.450 -9.011 -4.798 1.00 0.00 C ATOM 0 H THR A 87 1.496 -7.498 -4.177 1.00 0.00 H new ATOM 0 HA THR A 87 3.190 -6.214 -6.241 1.00 0.00 H new ATOM 0 HB THR A 87 4.498 -7.010 -4.023 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.488 -6.110 -5.880 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.412 -9.284 -4.364 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.649 -9.324 -4.129 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.333 -9.507 -5.762 1.00 0.00 H new ATOM 1339 N ALA A 88 2.948 -8.354 -7.668 1.00 0.00 N ATOM 1340 CA ALA A 88 2.438 -9.445 -8.547 1.00 0.00 C ATOM 1341 C ALA A 88 3.263 -10.715 -8.335 1.00 0.00 C ATOM 1342 O ALA A 88 2.775 -11.705 -7.828 1.00 0.00 O ATOM 1343 CB ALA A 88 2.540 -9.009 -10.010 1.00 0.00 C ATOM 0 H ALA A 88 3.659 -7.754 -8.087 1.00 0.00 H new ATOM 0 HA ALA A 88 1.397 -9.649 -8.297 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.167 -9.806 -10.654 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.944 -8.109 -10.164 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.581 -8.801 -10.256 1.00 0.00 H new ATOM 1349 N GLU A 89 4.507 -10.698 -8.726 1.00 0.00 N ATOM 1350 CA GLU A 89 5.355 -11.911 -8.555 1.00 0.00 C ATOM 1351 C GLU A 89 5.869 -11.988 -7.118 1.00 0.00 C ATOM 1352 O GLU A 89 7.041 -11.798 -6.858 1.00 0.00 O ATOM 1353 CB GLU A 89 6.543 -11.842 -9.516 1.00 0.00 C ATOM 1354 CG GLU A 89 6.048 -11.489 -10.919 1.00 0.00 C ATOM 1355 CD GLU A 89 6.480 -10.064 -11.271 1.00 0.00 C ATOM 1356 OE1 GLU A 89 6.202 -9.173 -10.486 1.00 0.00 O ATOM 1357 OE2 GLU A 89 7.080 -9.889 -12.318 1.00 0.00 O ATOM 0 H GLU A 89 4.972 -9.899 -9.156 1.00 0.00 H new ATOM 0 HA GLU A 89 4.759 -12.798 -8.771 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.258 -11.094 -9.173 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.065 -12.798 -9.534 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.453 -12.193 -11.646 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.962 -11.573 -10.964 1.00 0.00 H new ATOM 1364 N ALA A 90 5.007 -12.273 -6.179 1.00 0.00 N ATOM 1365 CA ALA A 90 5.459 -12.370 -4.764 1.00 0.00 C ATOM 1366 C ALA A 90 6.439 -13.538 -4.637 1.00 0.00 C ATOM 1367 O ALA A 90 6.065 -14.636 -4.276 1.00 0.00 O ATOM 1368 CB ALA A 90 4.253 -12.606 -3.851 1.00 0.00 C ATOM 0 H ALA A 90 4.013 -12.442 -6.331 1.00 0.00 H new ATOM 0 HA ALA A 90 5.950 -11.442 -4.469 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.588 -12.676 -2.816 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.554 -11.776 -3.950 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.757 -13.534 -4.136 1.00 0.00 H new ATOM 1374 N LYS A 91 7.689 -13.308 -4.942 1.00 0.00 N ATOM 1375 CA LYS A 91 8.699 -14.402 -4.851 1.00 0.00 C ATOM 1376 C LYS A 91 8.508 -15.176 -3.542 1.00 0.00 C ATOM 1377 O LYS A 91 7.851 -16.197 -3.512 1.00 0.00 O ATOM 1378 CB LYS A 91 10.106 -13.799 -4.908 1.00 0.00 C ATOM 1379 CG LYS A 91 11.133 -14.908 -5.144 1.00 0.00 C ATOM 1380 CD LYS A 91 12.542 -14.356 -4.913 1.00 0.00 C ATOM 1381 CE LYS A 91 13.540 -15.100 -5.804 1.00 0.00 C ATOM 1382 NZ LYS A 91 13.614 -14.431 -7.134 1.00 0.00 N ATOM 0 H LYS A 91 8.054 -12.407 -5.251 1.00 0.00 H new ATOM 0 HA LYS A 91 8.570 -15.090 -5.687 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.164 -13.061 -5.708 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.327 -13.278 -3.976 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.943 -15.744 -4.470 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.043 -15.291 -6.160 1.00 0.00 H new ATOM 0 HD2 LYS A 91 12.566 -13.289 -5.135 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.820 -14.469 -3.865 1.00 0.00 H new ATOM 0 HE2 LYS A 91 14.524 -15.111 -5.335 1.00 0.00 H new ATOM 0 HE3 LYS A 91 13.232 -16.139 -5.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 14.292 -14.936 -7.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.675 -14.442 -7.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.927 -13.447 -7.011 1.00 0.00 H new ATOM 1396 N LYS A 92 9.069 -14.700 -2.462 1.00 0.00 N ATOM 1397 CA LYS A 92 8.913 -15.408 -1.156 1.00 0.00 C ATOM 1398 C LYS A 92 9.753 -14.687 -0.099 1.00 0.00 C ATOM 1399 O LYS A 92 9.238 -13.945 0.714 1.00 0.00 O ATOM 1400 CB LYS A 92 9.385 -16.864 -1.282 1.00 0.00 C ATOM 1401 CG LYS A 92 8.209 -17.815 -1.037 1.00 0.00 C ATOM 1402 CD LYS A 92 8.628 -19.244 -1.393 1.00 0.00 C ATOM 1403 CE LYS A 92 7.410 -20.170 -1.342 1.00 0.00 C ATOM 1404 NZ LYS A 92 7.742 -21.459 -2.011 1.00 0.00 N ATOM 0 H LYS A 92 9.630 -13.849 -2.427 1.00 0.00 H new ATOM 0 HA LYS A 92 7.862 -15.405 -0.865 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.803 -17.036 -2.274 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.180 -17.062 -0.563 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.898 -17.765 0.006 1.00 0.00 H new ATOM 0 HG3 LYS A 92 7.352 -17.515 -1.640 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.071 -19.265 -2.389 1.00 0.00 H new ATOM 0 HD3 LYS A 92 9.391 -19.593 -0.697 1.00 0.00 H new ATOM 0 HE2 LYS A 92 7.118 -20.349 -0.307 1.00 0.00 H new ATOM 0 HE3 LYS A 92 6.560 -19.699 -1.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 6.916 -22.090 -1.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 8.001 -21.279 -3.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 8.541 -21.909 -1.521 1.00 0.00 H new ATOM 1418 N GLU A 93 11.043 -14.894 -0.105 1.00 0.00 N ATOM 1419 CA GLU A 93 11.906 -14.216 0.894 1.00 0.00 C ATOM 1420 C GLU A 93 11.631 -12.713 0.854 1.00 0.00 C ATOM 1421 O GLU A 93 11.744 -12.024 1.848 1.00 0.00 O ATOM 1422 CB GLU A 93 13.377 -14.476 0.564 1.00 0.00 C ATOM 1423 CG GLU A 93 13.953 -15.485 1.559 1.00 0.00 C ATOM 1424 CD GLU A 93 14.087 -14.826 2.933 1.00 0.00 C ATOM 1425 OE1 GLU A 93 15.114 -14.214 3.178 1.00 0.00 O ATOM 1426 OE2 GLU A 93 13.160 -14.944 3.719 1.00 0.00 O ATOM 0 H GLU A 93 11.532 -15.504 -0.760 1.00 0.00 H new ATOM 0 HA GLU A 93 11.688 -14.604 1.889 1.00 0.00 H new ATOM 0 HB2 GLU A 93 13.471 -14.858 -0.453 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.941 -13.544 0.608 1.00 0.00 H new ATOM 0 HG2 GLU A 93 13.304 -16.358 1.624 1.00 0.00 H new ATOM 0 HG3 GLU A 93 14.926 -15.836 1.215 1.00 0.00 H new ATOM 1433 N ASN A 94 11.268 -12.201 -0.291 1.00 0.00 N ATOM 1434 CA ASN A 94 10.986 -10.744 -0.393 1.00 0.00 C ATOM 1435 C ASN A 94 9.820 -10.391 0.531 1.00 0.00 C ATOM 1436 O ASN A 94 9.922 -9.524 1.375 1.00 0.00 O ATOM 1437 CB ASN A 94 10.619 -10.391 -1.837 1.00 0.00 C ATOM 1438 CG ASN A 94 11.805 -9.699 -2.510 1.00 0.00 C ATOM 1439 OD1 ASN A 94 11.584 -8.735 -3.363 1.00 0.00 O flip ATOM 1440 ND2 ASN A 94 12.944 -10.037 -2.259 1.00 0.00 N flip ATOM 0 H ASN A 94 11.155 -12.728 -1.157 1.00 0.00 H new ATOM 0 HA ASN A 94 11.871 -10.180 -0.099 1.00 0.00 H new ATOM 0 HB2 ASN A 94 10.351 -11.294 -2.386 1.00 0.00 H new ATOM 0 HB3 ASN A 94 9.747 -9.738 -1.852 1.00 0.00 H new ATOM 0 HD21 ASN A 94 13.118 -10.790 -1.593 1.00 0.00 H new ATOM 0 HD22 ASN A 94 13.727 -9.568 -2.714 1.00 0.00 H new ATOM 1447 N ILE A 95 8.714 -11.062 0.375 1.00 0.00 N ATOM 1448 CA ILE A 95 7.534 -10.776 1.239 1.00 0.00 C ATOM 1449 C ILE A 95 7.981 -10.659 2.695 1.00 0.00 C ATOM 1450 O ILE A 95 7.712 -9.679 3.361 1.00 0.00 O ATOM 1451 CB ILE A 95 6.521 -11.917 1.117 1.00 0.00 C ATOM 1452 CG1 ILE A 95 6.342 -12.293 -0.355 1.00 0.00 C ATOM 1453 CG2 ILE A 95 5.180 -11.468 1.694 1.00 0.00 C ATOM 1454 CD1 ILE A 95 6.136 -11.028 -1.189 1.00 0.00 C ATOM 0 H ILE A 95 8.575 -11.799 -0.316 1.00 0.00 H new ATOM 0 HA ILE A 95 7.075 -9.840 0.920 1.00 0.00 H new ATOM 0 HB ILE A 95 6.885 -12.784 1.668 1.00 0.00 H new ATOM 0 HG12 ILE A 95 7.218 -12.836 -0.711 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.486 -12.959 -0.469 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.457 -12.279 1.608 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.306 -11.204 2.744 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.819 -10.600 1.142 1.00 0.00 H new ATOM 0 HD11 ILE A 95 6.009 -11.300 -2.237 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.247 -10.503 -0.840 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.005 -10.378 -1.086 1.00 0.00 H new ATOM 1466 N ILE A 96 8.664 -11.649 3.195 1.00 0.00 N ATOM 1467 CA ILE A 96 9.126 -11.589 4.606 1.00 0.00 C ATOM 1468 C ILE A 96 9.980 -10.338 4.808 1.00 0.00 C ATOM 1469 O ILE A 96 10.046 -9.792 5.891 1.00 0.00 O ATOM 1470 CB ILE A 96 9.952 -12.836 4.930 1.00 0.00 C ATOM 1471 CG1 ILE A 96 9.012 -14.001 5.249 1.00 0.00 C ATOM 1472 CG2 ILE A 96 10.842 -12.560 6.142 1.00 0.00 C ATOM 1473 CD1 ILE A 96 8.073 -14.241 4.066 1.00 0.00 C ATOM 0 H ILE A 96 8.922 -12.496 2.688 1.00 0.00 H new ATOM 0 HA ILE A 96 8.263 -11.549 5.270 1.00 0.00 H new ATOM 0 HB ILE A 96 10.574 -13.091 4.072 1.00 0.00 H new ATOM 0 HG12 ILE A 96 9.590 -14.902 5.456 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.434 -13.780 6.146 1.00 0.00 H new ATOM 0 HG21 ILE A 96 11.430 -13.449 6.372 1.00 0.00 H new ATOM 0 HG22 ILE A 96 11.512 -11.729 5.920 1.00 0.00 H new ATOM 0 HG23 ILE A 96 10.220 -12.305 7.000 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.404 -15.071 4.295 1.00 0.00 H new ATOM 0 HD12 ILE A 96 7.485 -13.342 3.880 1.00 0.00 H new ATOM 0 HD13 ILE A 96 8.659 -14.481 3.179 1.00 0.00 H new ATOM 1485 N ALA A 97 10.633 -9.874 3.775 1.00 0.00 N ATOM 1486 CA ALA A 97 11.478 -8.654 3.916 1.00 0.00 C ATOM 1487 C ALA A 97 10.591 -7.459 4.261 1.00 0.00 C ATOM 1488 O ALA A 97 10.899 -6.681 5.142 1.00 0.00 O ATOM 1489 CB ALA A 97 12.224 -8.384 2.611 1.00 0.00 C ATOM 0 H ALA A 97 10.617 -10.287 2.842 1.00 0.00 H new ATOM 0 HA ALA A 97 12.205 -8.809 4.714 1.00 0.00 H new ATOM 0 HB1 ALA A 97 12.839 -7.491 2.722 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.861 -9.236 2.373 1.00 0.00 H new ATOM 0 HB3 ALA A 97 11.505 -8.232 1.806 1.00 0.00 H new ATOM 1495 N ALA A 98 9.484 -7.308 3.588 1.00 0.00 N ATOM 1496 CA ALA A 98 8.586 -6.164 3.912 1.00 0.00 C ATOM 1497 C ALA A 98 7.981 -6.411 5.276 1.00 0.00 C ATOM 1498 O ALA A 98 8.055 -5.588 6.166 1.00 0.00 O ATOM 1499 CB ALA A 98 7.445 -6.056 2.902 1.00 0.00 C ATOM 0 H ALA A 98 9.165 -7.919 2.836 1.00 0.00 H new ATOM 0 HA ALA A 98 9.169 -5.243 3.887 1.00 0.00 H new ATOM 0 HB1 ALA A 98 6.806 -5.213 3.164 1.00 0.00 H new ATOM 0 HB2 ALA A 98 7.856 -5.904 1.904 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.858 -6.974 2.917 1.00 0.00 H new ATOM 1505 N ALA A 99 7.371 -7.546 5.448 1.00 0.00 N ATOM 1506 CA ALA A 99 6.756 -7.843 6.749 1.00 0.00 C ATOM 1507 C ALA A 99 7.835 -7.736 7.828 1.00 0.00 C ATOM 1508 O ALA A 99 7.559 -7.400 8.960 1.00 0.00 O ATOM 1509 CB ALA A 99 6.179 -9.253 6.738 1.00 0.00 C ATOM 0 H ALA A 99 7.276 -8.275 4.741 1.00 0.00 H new ATOM 0 HA ALA A 99 5.951 -7.137 6.951 1.00 0.00 H new ATOM 0 HB1 ALA A 99 5.724 -9.468 7.705 1.00 0.00 H new ATOM 0 HB2 ALA A 99 5.423 -9.331 5.956 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.976 -9.971 6.544 1.00 0.00 H new ATOM 1515 N GLN A 100 9.077 -7.988 7.484 1.00 0.00 N ATOM 1516 CA GLN A 100 10.149 -7.839 8.507 1.00 0.00 C ATOM 1517 C GLN A 100 10.097 -6.385 8.937 1.00 0.00 C ATOM 1518 O GLN A 100 10.278 -6.045 10.090 1.00 0.00 O ATOM 1519 CB GLN A 100 11.523 -8.162 7.915 1.00 0.00 C ATOM 1520 CG GLN A 100 11.997 -9.520 8.436 1.00 0.00 C ATOM 1521 CD GLN A 100 13.381 -9.835 7.865 1.00 0.00 C ATOM 1522 OE1 GLN A 100 13.966 -9.020 7.178 1.00 0.00 O ATOM 1523 NE2 GLN A 100 13.934 -10.989 8.123 1.00 0.00 N ATOM 0 H GLN A 100 9.386 -8.284 6.558 1.00 0.00 H new ATOM 0 HA GLN A 100 9.997 -8.523 9.342 1.00 0.00 H new ATOM 0 HB2 GLN A 100 11.467 -8.178 6.827 1.00 0.00 H new ATOM 0 HB3 GLN A 100 12.239 -7.386 8.186 1.00 0.00 H new ATOM 0 HG2 GLN A 100 12.036 -9.509 9.525 1.00 0.00 H new ATOM 0 HG3 GLN A 100 11.289 -10.298 8.150 1.00 0.00 H new ATOM 0 HE21 GLN A 100 13.443 -11.672 8.699 1.00 0.00 H new ATOM 0 HE22 GLN A 100 14.857 -11.207 7.748 1.00 0.00 H new ATOM 1532 N ALA A 101 9.770 -5.532 8.005 1.00 0.00 N ATOM 1533 CA ALA A 101 9.607 -4.094 8.330 1.00 0.00 C ATOM 1534 C ALA A 101 8.233 -4.010 8.981 1.00 0.00 C ATOM 1535 O ALA A 101 7.908 -3.105 9.723 1.00 0.00 O ATOM 1536 CB ALA A 101 9.661 -3.258 7.044 1.00 0.00 C ATOM 0 H ALA A 101 9.609 -5.775 7.028 1.00 0.00 H new ATOM 0 HA ALA A 101 10.392 -3.711 8.982 1.00 0.00 H new ATOM 0 HB1 ALA A 101 9.541 -2.203 7.290 1.00 0.00 H new ATOM 0 HB2 ALA A 101 10.622 -3.408 6.552 1.00 0.00 H new ATOM 0 HB3 ALA A 101 8.859 -3.568 6.375 1.00 0.00 H new ATOM 1542 N GLY A 102 7.461 -5.031 8.723 1.00 0.00 N ATOM 1543 CA GLY A 102 6.110 -5.181 9.313 1.00 0.00 C ATOM 1544 C GLY A 102 5.217 -3.995 9.042 1.00 0.00 C ATOM 1545 O GLY A 102 4.968 -3.198 9.926 1.00 0.00 O ATOM 0 H GLY A 102 7.728 -5.795 8.102 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.642 -6.081 8.913 1.00 0.00 H new ATOM 0 HA3 GLY A 102 6.203 -5.321 10.390 1.00 0.00 H new ATOM 1549 N ALA A 103 4.694 -3.859 7.856 1.00 0.00 N ATOM 1550 CA ALA A 103 3.798 -2.703 7.653 1.00 0.00 C ATOM 1551 C ALA A 103 2.360 -3.080 7.976 1.00 0.00 C ATOM 1552 O ALA A 103 2.005 -3.403 9.092 1.00 0.00 O ATOM 1553 CB ALA A 103 3.822 -2.373 6.179 1.00 0.00 C ATOM 0 H ALA A 103 4.842 -4.472 7.054 1.00 0.00 H new ATOM 0 HA ALA A 103 4.125 -1.879 8.288 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.170 -1.521 5.986 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.840 -2.126 5.878 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.473 -3.233 5.608 1.00 0.00 H new ATOM 1559 N SER A 104 1.560 -3.107 6.957 1.00 0.00 N ATOM 1560 CA SER A 104 0.144 -3.537 7.094 1.00 0.00 C ATOM 1561 C SER A 104 0.075 -5.032 6.826 1.00 0.00 C ATOM 1562 O SER A 104 -0.509 -5.805 7.560 1.00 0.00 O ATOM 1563 CB SER A 104 -0.742 -2.783 6.107 1.00 0.00 C ATOM 1564 OG SER A 104 -1.089 -3.643 5.034 1.00 0.00 O ATOM 0 H SER A 104 1.832 -2.843 6.010 1.00 0.00 H new ATOM 0 HA SER A 104 -0.215 -3.318 8.100 1.00 0.00 H new ATOM 0 HB2 SER A 104 -1.642 -2.427 6.608 1.00 0.00 H new ATOM 0 HB3 SER A 104 -0.219 -1.905 5.729 1.00 0.00 H new ATOM 0 HG SER A 104 -2.065 -3.703 4.965 1.00 0.00 H new ATOM 1570 N GLY A 105 0.666 -5.411 5.722 1.00 0.00 N ATOM 1571 CA GLY A 105 0.663 -6.835 5.287 1.00 0.00 C ATOM 1572 C GLY A 105 1.168 -6.927 3.843 1.00 0.00 C ATOM 1573 O GLY A 105 1.882 -6.058 3.363 1.00 0.00 O ATOM 0 H GLY A 105 1.160 -4.778 5.093 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.298 -7.429 5.944 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.344 -7.247 5.359 1.00 0.00 H new ATOM 1577 N TYR A 106 0.784 -7.963 3.141 1.00 0.00 N ATOM 1578 CA TYR A 106 1.211 -8.117 1.720 1.00 0.00 C ATOM 1579 C TYR A 106 0.073 -8.756 0.932 1.00 0.00 C ATOM 1580 O TYR A 106 -0.382 -9.834 1.259 1.00 0.00 O ATOM 1581 CB TYR A 106 2.448 -9.012 1.630 1.00 0.00 C ATOM 1582 CG TYR A 106 2.275 -10.028 0.514 1.00 0.00 C ATOM 1583 CD1 TYR A 106 2.197 -9.611 -0.826 1.00 0.00 C ATOM 1584 CD2 TYR A 106 2.209 -11.395 0.819 1.00 0.00 C ATOM 1585 CE1 TYR A 106 2.055 -10.561 -1.846 1.00 0.00 C ATOM 1586 CE2 TYR A 106 2.064 -12.338 -0.203 1.00 0.00 C ATOM 1587 CZ TYR A 106 1.990 -11.923 -1.534 1.00 0.00 C ATOM 1588 OH TYR A 106 1.856 -12.859 -2.539 1.00 0.00 O ATOM 0 H TYR A 106 0.189 -8.712 3.495 1.00 0.00 H new ATOM 0 HA TYR A 106 1.455 -7.137 1.310 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.334 -8.404 1.445 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.605 -9.525 2.579 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.246 -8.560 -1.069 1.00 0.00 H new ATOM 0 HD2 TYR A 106 2.270 -11.721 1.847 1.00 0.00 H new ATOM 0 HE1 TYR A 106 1.996 -10.241 -2.876 1.00 0.00 H new ATOM 0 HE2 TYR A 106 2.009 -13.389 0.038 1.00 0.00 H new ATOM 0 HH TYR A 106 1.828 -13.757 -2.148 1.00 0.00 H new ATOM 1598 N VAL A 107 -0.383 -8.102 -0.105 1.00 0.00 N ATOM 1599 CA VAL A 107 -1.495 -8.678 -0.925 1.00 0.00 C ATOM 1600 C VAL A 107 -1.011 -8.871 -2.355 1.00 0.00 C ATOM 1601 O VAL A 107 -0.430 -7.990 -2.950 1.00 0.00 O ATOM 1602 CB VAL A 107 -2.699 -7.732 -0.921 1.00 0.00 C ATOM 1603 CG1 VAL A 107 -2.297 -6.384 -1.510 1.00 0.00 C ATOM 1604 CG2 VAL A 107 -3.815 -8.335 -1.776 1.00 0.00 C ATOM 0 H VAL A 107 -0.036 -7.196 -0.420 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.795 -9.636 -0.500 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.045 -7.594 0.103 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.157 -5.714 -1.505 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.495 -5.950 -0.912 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.951 -6.523 -2.534 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.675 -7.665 -1.777 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.459 -8.469 -2.797 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.108 -9.301 -1.364 1.00 0.00 H new ATOM 1614 N VAL A 108 -1.240 -10.020 -2.919 1.00 0.00 N ATOM 1615 CA VAL A 108 -0.778 -10.246 -4.311 1.00 0.00 C ATOM 1616 C VAL A 108 -1.678 -9.460 -5.273 1.00 0.00 C ATOM 1617 O VAL A 108 -2.889 -9.507 -5.176 1.00 0.00 O ATOM 1618 CB VAL A 108 -0.849 -11.738 -4.651 1.00 0.00 C ATOM 1619 CG1 VAL A 108 0.463 -12.178 -5.302 1.00 0.00 C ATOM 1620 CG2 VAL A 108 -1.085 -12.549 -3.373 1.00 0.00 C ATOM 0 H VAL A 108 -1.722 -10.805 -2.481 1.00 0.00 H new ATOM 0 HA VAL A 108 0.254 -9.908 -4.408 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.673 -11.910 -5.343 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.411 -13.240 -5.543 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.626 -11.606 -6.215 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.288 -12.003 -4.612 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.135 -13.610 -3.619 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.265 -12.376 -2.676 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.023 -12.239 -2.913 1.00 0.00 H new ATOM 1630 N LYS A 109 -1.092 -8.740 -6.195 1.00 0.00 N ATOM 1631 CA LYS A 109 -1.896 -7.939 -7.169 1.00 0.00 C ATOM 1632 C LYS A 109 -1.782 -8.591 -8.563 1.00 0.00 C ATOM 1633 O LYS A 109 -0.842 -9.320 -8.804 1.00 0.00 O ATOM 1634 CB LYS A 109 -1.332 -6.504 -7.186 1.00 0.00 C ATOM 1635 CG LYS A 109 -0.516 -6.240 -8.461 1.00 0.00 C ATOM 1636 CD LYS A 109 0.186 -4.887 -8.336 1.00 0.00 C ATOM 1637 CE LYS A 109 0.588 -4.388 -9.725 1.00 0.00 C ATOM 1638 NZ LYS A 109 1.750 -3.462 -9.604 1.00 0.00 N ATOM 0 H LYS A 109 -0.082 -8.672 -6.316 1.00 0.00 H new ATOM 0 HA LYS A 109 -2.948 -7.909 -6.886 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.151 -5.788 -7.121 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -0.703 -6.348 -6.310 1.00 0.00 H new ATOM 0 HG2 LYS A 109 0.218 -7.032 -8.608 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.170 -6.245 -9.333 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -0.476 -4.165 -7.857 1.00 0.00 H new ATOM 0 HD3 LYS A 109 1.068 -4.981 -7.703 1.00 0.00 H new ATOM 0 HE2 LYS A 109 0.847 -5.231 -10.365 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -0.251 -3.876 -10.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 2.243 -3.403 -10.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 1.414 -2.517 -9.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 2.405 -3.820 -8.880 1.00 0.00 H new ATOM 1652 N PRO A 110 -2.704 -8.299 -9.462 1.00 0.00 N ATOM 1653 CA PRO A 110 -3.871 -7.418 -9.223 1.00 0.00 C ATOM 1654 C PRO A 110 -4.913 -8.135 -8.357 1.00 0.00 C ATOM 1655 O PRO A 110 -5.236 -9.284 -8.589 1.00 0.00 O ATOM 1656 CB PRO A 110 -4.467 -7.177 -10.617 1.00 0.00 C ATOM 1657 CG PRO A 110 -3.616 -7.975 -11.636 1.00 0.00 C ATOM 1658 CD PRO A 110 -2.609 -8.814 -10.838 1.00 0.00 C ATOM 0 HA PRO A 110 -3.586 -6.499 -8.711 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.507 -7.501 -10.650 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.457 -6.114 -10.859 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -4.251 -8.617 -12.247 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -3.098 -7.299 -12.316 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -2.854 -9.875 -10.882 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.599 -8.704 -11.234 1.00 0.00 H new ATOM 1666 N PHE A 111 -5.439 -7.468 -7.364 1.00 0.00 N ATOM 1667 CA PHE A 111 -6.457 -8.116 -6.488 1.00 0.00 C ATOM 1668 C PHE A 111 -7.850 -7.662 -6.888 1.00 0.00 C ATOM 1669 O PHE A 111 -8.037 -6.623 -7.490 1.00 0.00 O ATOM 1670 CB PHE A 111 -6.242 -7.698 -5.033 1.00 0.00 C ATOM 1671 CG PHE A 111 -5.794 -6.265 -4.993 1.00 0.00 C ATOM 1672 CD1 PHE A 111 -6.707 -5.240 -5.263 1.00 0.00 C ATOM 1673 CD2 PHE A 111 -4.466 -5.964 -4.709 1.00 0.00 C ATOM 1674 CE1 PHE A 111 -6.280 -3.910 -5.247 1.00 0.00 C ATOM 1675 CE2 PHE A 111 -4.037 -4.636 -4.698 1.00 0.00 C ATOM 1676 CZ PHE A 111 -4.943 -3.607 -4.968 1.00 0.00 C ATOM 0 H PHE A 111 -5.208 -6.504 -7.122 1.00 0.00 H new ATOM 0 HA PHE A 111 -6.356 -9.196 -6.596 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -7.166 -7.819 -4.467 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.495 -8.339 -4.564 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -7.738 -5.476 -5.483 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -3.766 -6.759 -4.497 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -6.982 -3.115 -5.450 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.005 -4.404 -4.481 1.00 0.00 H new ATOM 0 HZ PHE A 111 -4.612 -2.579 -4.961 1.00 0.00 H new ATOM 1686 N THR A 112 -8.830 -8.414 -6.500 1.00 0.00 N ATOM 1687 CA THR A 112 -10.231 -8.025 -6.780 1.00 0.00 C ATOM 1688 C THR A 112 -10.740 -7.340 -5.518 1.00 0.00 C ATOM 1689 O THR A 112 -10.292 -7.645 -4.431 1.00 0.00 O ATOM 1690 CB THR A 112 -11.074 -9.268 -7.077 1.00 0.00 C ATOM 1691 OG1 THR A 112 -10.241 -10.289 -7.608 1.00 0.00 O ATOM 1692 CG2 THR A 112 -12.164 -8.915 -8.090 1.00 0.00 C ATOM 0 H THR A 112 -8.720 -9.293 -5.994 1.00 0.00 H new ATOM 0 HA THR A 112 -10.296 -7.367 -7.647 1.00 0.00 H new ATOM 0 HB THR A 112 -11.538 -9.622 -6.156 1.00 0.00 H new ATOM 0 HG1 THR A 112 -10.780 -11.086 -7.797 1.00 0.00 H new ATOM 0 HG21 THR A 112 -12.764 -9.800 -8.302 1.00 0.00 H new ATOM 0 HG22 THR A 112 -12.803 -8.133 -7.680 1.00 0.00 H new ATOM 0 HG23 THR A 112 -11.703 -8.560 -9.012 1.00 0.00 H new ATOM 1700 N ALA A 113 -11.641 -6.413 -5.629 1.00 0.00 N ATOM 1701 CA ALA A 113 -12.120 -5.731 -4.397 1.00 0.00 C ATOM 1702 C ALA A 113 -12.482 -6.779 -3.354 1.00 0.00 C ATOM 1703 O ALA A 113 -12.495 -6.510 -2.171 1.00 0.00 O ATOM 1704 CB ALA A 113 -13.343 -4.869 -4.717 1.00 0.00 C ATOM 0 H ALA A 113 -12.063 -6.099 -6.503 1.00 0.00 H new ATOM 0 HA ALA A 113 -11.331 -5.087 -4.008 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -13.687 -4.374 -3.809 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -13.075 -4.118 -5.460 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -14.140 -5.500 -5.110 1.00 0.00 H new ATOM 1710 N ALA A 114 -12.749 -7.980 -3.776 1.00 0.00 N ATOM 1711 CA ALA A 114 -13.078 -9.039 -2.792 1.00 0.00 C ATOM 1712 C ALA A 114 -11.772 -9.625 -2.268 1.00 0.00 C ATOM 1713 O ALA A 114 -11.676 -10.031 -1.127 1.00 0.00 O ATOM 1714 CB ALA A 114 -13.910 -10.134 -3.461 1.00 0.00 C ATOM 0 H ALA A 114 -12.753 -8.272 -4.753 1.00 0.00 H new ATOM 0 HA ALA A 114 -13.658 -8.620 -1.970 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -14.147 -10.908 -2.731 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -14.834 -9.704 -3.847 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.342 -10.572 -4.282 1.00 0.00 H new ATOM 1720 N THR A 115 -10.757 -9.654 -3.087 1.00 0.00 N ATOM 1721 CA THR A 115 -9.459 -10.191 -2.617 1.00 0.00 C ATOM 1722 C THR A 115 -8.787 -9.131 -1.738 1.00 0.00 C ATOM 1723 O THR A 115 -8.507 -9.385 -0.583 1.00 0.00 O ATOM 1724 CB THR A 115 -8.574 -10.562 -3.806 1.00 0.00 C ATOM 1725 OG1 THR A 115 -9.342 -10.500 -4.999 1.00 0.00 O ATOM 1726 CG2 THR A 115 -8.040 -11.982 -3.619 1.00 0.00 C ATOM 0 H THR A 115 -10.774 -9.330 -4.054 1.00 0.00 H new ATOM 0 HA THR A 115 -9.617 -11.098 -2.034 1.00 0.00 H new ATOM 0 HB THR A 115 -7.738 -9.865 -3.872 1.00 0.00 H new ATOM 0 HG1 THR A 115 -8.918 -11.050 -5.690 1.00 0.00 H new ATOM 0 HG21 THR A 115 -7.408 -12.248 -4.467 1.00 0.00 H new ATOM 0 HG22 THR A 115 -7.455 -12.033 -2.701 1.00 0.00 H new ATOM 0 HG23 THR A 115 -8.875 -12.679 -3.556 1.00 0.00 H new ATOM 1734 N LEU A 116 -8.540 -7.931 -2.231 1.00 0.00 N ATOM 1735 CA LEU A 116 -7.920 -6.924 -1.330 1.00 0.00 C ATOM 1736 C LEU A 116 -8.781 -6.835 -0.060 1.00 0.00 C ATOM 1737 O LEU A 116 -8.274 -6.748 1.039 1.00 0.00 O ATOM 1738 CB LEU A 116 -7.878 -5.544 -2.009 1.00 0.00 C ATOM 1739 CG LEU A 116 -6.489 -4.884 -1.867 1.00 0.00 C ATOM 1740 CD1 LEU A 116 -6.606 -3.400 -2.208 1.00 0.00 C ATOM 1741 CD2 LEU A 116 -5.961 -4.993 -0.435 1.00 0.00 C ATOM 0 H LEU A 116 -8.736 -7.623 -3.184 1.00 0.00 H new ATOM 0 HA LEU A 116 -6.899 -7.222 -1.092 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.125 -5.650 -3.065 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -8.636 -4.897 -1.567 1.00 0.00 H new ATOM 0 HG LEU A 116 -5.804 -5.398 -2.541 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -5.629 -2.926 -2.110 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -6.962 -3.289 -3.232 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -7.310 -2.924 -1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.982 -4.518 -0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -6.651 -4.495 0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -5.874 -6.044 -0.158 1.00 0.00 H new ATOM 1753 N GLU A 117 -10.087 -6.865 -0.201 1.00 0.00 N ATOM 1754 CA GLU A 117 -10.961 -6.781 1.000 1.00 0.00 C ATOM 1755 C GLU A 117 -10.656 -7.945 1.943 1.00 0.00 C ATOM 1756 O GLU A 117 -10.409 -7.755 3.117 1.00 0.00 O ATOM 1757 CB GLU A 117 -12.431 -6.841 0.571 1.00 0.00 C ATOM 1758 CG GLU A 117 -13.321 -7.053 1.800 1.00 0.00 C ATOM 1759 CD GLU A 117 -14.776 -6.744 1.441 1.00 0.00 C ATOM 1760 OE1 GLU A 117 -14.991 -5.896 0.591 1.00 0.00 O ATOM 1761 OE2 GLU A 117 -15.652 -7.363 2.022 1.00 0.00 O ATOM 0 H GLU A 117 -10.577 -6.944 -1.092 1.00 0.00 H new ATOM 0 HA GLU A 117 -10.772 -5.840 1.516 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -12.709 -5.917 0.064 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.579 -7.653 -0.141 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -13.233 -8.081 2.152 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -12.992 -6.408 2.615 1.00 0.00 H new ATOM 1768 N GLU A 118 -10.676 -9.147 1.437 1.00 0.00 N ATOM 1769 CA GLU A 118 -10.390 -10.330 2.301 1.00 0.00 C ATOM 1770 C GLU A 118 -9.161 -10.046 3.165 1.00 0.00 C ATOM 1771 O GLU A 118 -9.158 -10.288 4.355 1.00 0.00 O ATOM 1772 CB GLU A 118 -10.125 -11.552 1.420 1.00 0.00 C ATOM 1773 CG GLU A 118 -11.452 -12.101 0.894 1.00 0.00 C ATOM 1774 CD GLU A 118 -11.982 -13.164 1.857 1.00 0.00 C ATOM 1775 OE1 GLU A 118 -11.321 -14.178 2.010 1.00 0.00 O ATOM 1776 OE2 GLU A 118 -13.040 -12.948 2.424 1.00 0.00 O ATOM 0 H GLU A 118 -10.878 -9.363 0.461 1.00 0.00 H new ATOM 0 HA GLU A 118 -11.247 -10.526 2.945 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -9.477 -11.279 0.587 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -9.603 -12.319 1.992 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -12.177 -11.293 0.792 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -11.312 -12.531 -0.098 1.00 0.00 H new ATOM 1783 N LYS A 119 -8.119 -9.529 2.576 1.00 0.00 N ATOM 1784 CA LYS A 119 -6.895 -9.223 3.366 1.00 0.00 C ATOM 1785 C LYS A 119 -7.177 -8.037 4.288 1.00 0.00 C ATOM 1786 O LYS A 119 -6.894 -8.071 5.469 1.00 0.00 O ATOM 1787 CB LYS A 119 -5.752 -8.864 2.415 1.00 0.00 C ATOM 1788 CG LYS A 119 -5.490 -10.033 1.465 1.00 0.00 C ATOM 1789 CD LYS A 119 -4.126 -10.651 1.780 1.00 0.00 C ATOM 1790 CE LYS A 119 -3.860 -11.819 0.829 1.00 0.00 C ATOM 1791 NZ LYS A 119 -4.065 -13.106 1.552 1.00 0.00 N ATOM 0 H LYS A 119 -8.062 -9.305 1.582 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.615 -10.093 3.960 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.006 -7.970 1.846 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.851 -8.635 2.983 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -6.274 -10.783 1.570 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -5.515 -9.688 0.431 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -3.343 -9.900 1.678 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -4.102 -10.997 2.813 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.529 -11.762 -0.030 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -2.842 -11.764 0.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -3.884 -13.900 0.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.410 -13.160 2.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -5.044 -13.158 1.898 1.00 0.00 H new ATOM 1805 N LEU A 120 -7.734 -6.987 3.751 1.00 0.00 N ATOM 1806 CA LEU A 120 -8.039 -5.791 4.584 1.00 0.00 C ATOM 1807 C LEU A 120 -8.731 -6.227 5.878 1.00 0.00 C ATOM 1808 O LEU A 120 -8.203 -6.063 6.957 1.00 0.00 O ATOM 1809 CB LEU A 120 -8.960 -4.850 3.805 1.00 0.00 C ATOM 1810 CG LEU A 120 -8.748 -3.414 4.288 1.00 0.00 C ATOM 1811 CD1 LEU A 120 -7.637 -2.757 3.466 1.00 0.00 C ATOM 1812 CD2 LEU A 120 -10.043 -2.618 4.116 1.00 0.00 C ATOM 0 H LEU A 120 -7.992 -6.906 2.767 1.00 0.00 H new ATOM 0 HA LEU A 120 -7.111 -5.274 4.828 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -8.751 -4.921 2.738 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -10.000 -5.143 3.946 1.00 0.00 H new ATOM 0 HG LEU A 120 -8.465 -3.426 5.341 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -7.486 -1.734 3.810 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -6.712 -3.321 3.588 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -7.920 -2.748 2.413 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -9.890 -1.595 4.461 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -10.327 -2.608 3.064 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -10.836 -3.083 4.701 1.00 0.00 H new ATOM 1824 N ASN A 121 -9.910 -6.774 5.780 1.00 0.00 N ATOM 1825 CA ASN A 121 -10.635 -7.210 7.009 1.00 0.00 C ATOM 1826 C ASN A 121 -9.709 -8.052 7.889 1.00 0.00 C ATOM 1827 O ASN A 121 -9.648 -7.876 9.089 1.00 0.00 O ATOM 1828 CB ASN A 121 -11.856 -8.041 6.613 1.00 0.00 C ATOM 1829 CG ASN A 121 -13.132 -7.280 6.974 1.00 0.00 C ATOM 1830 OD1 ASN A 121 -13.677 -6.562 6.160 1.00 0.00 O ATOM 1831 ND2 ASN A 121 -13.635 -7.406 8.173 1.00 0.00 N ATOM 0 H ASN A 121 -10.404 -6.939 4.903 1.00 0.00 H new ATOM 0 HA ASN A 121 -10.956 -6.330 7.566 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -11.835 -8.250 5.543 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -11.836 -9.003 7.126 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -14.485 -6.902 8.425 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -13.178 -8.009 8.857 1.00 0.00 H new ATOM 1838 N LYS A 122 -8.995 -8.968 7.303 1.00 0.00 N ATOM 1839 CA LYS A 122 -8.077 -9.828 8.106 1.00 0.00 C ATOM 1840 C LYS A 122 -6.916 -8.985 8.638 1.00 0.00 C ATOM 1841 O LYS A 122 -6.241 -9.362 9.576 1.00 0.00 O ATOM 1842 CB LYS A 122 -7.526 -10.950 7.221 1.00 0.00 C ATOM 1843 CG LYS A 122 -6.703 -11.923 8.071 1.00 0.00 C ATOM 1844 CD LYS A 122 -5.253 -11.930 7.581 1.00 0.00 C ATOM 1845 CE LYS A 122 -4.430 -12.895 8.437 1.00 0.00 C ATOM 1846 NZ LYS A 122 -4.940 -14.283 8.250 1.00 0.00 N ATOM 0 H LYS A 122 -9.005 -9.161 6.302 1.00 0.00 H new ATOM 0 HA LYS A 122 -8.626 -10.258 8.944 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -8.346 -11.480 6.737 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -6.906 -10.530 6.429 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -6.742 -11.629 9.120 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -7.125 -12.926 8.006 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -5.213 -12.231 6.534 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -4.833 -10.926 7.640 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -3.378 -12.841 8.155 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -4.494 -12.611 9.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -4.209 -14.963 8.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -5.791 -14.421 8.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -5.177 -14.434 7.249 1.00 0.00 H new ATOM 1860 N ILE A 123 -6.672 -7.849 8.045 1.00 0.00 N ATOM 1861 CA ILE A 123 -5.548 -6.992 8.516 1.00 0.00 C ATOM 1862 C ILE A 123 -6.038 -6.020 9.592 1.00 0.00 C ATOM 1863 O ILE A 123 -5.380 -5.807 10.591 1.00 0.00 O ATOM 1864 CB ILE A 123 -4.987 -6.197 7.335 1.00 0.00 C ATOM 1865 CG1 ILE A 123 -4.003 -7.074 6.556 1.00 0.00 C ATOM 1866 CG2 ILE A 123 -4.262 -4.950 7.853 1.00 0.00 C ATOM 1867 CD1 ILE A 123 -3.663 -6.399 5.229 1.00 0.00 C ATOM 0 H ILE A 123 -7.201 -7.478 7.256 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.770 -7.628 8.939 1.00 0.00 H new ATOM 0 HB ILE A 123 -5.804 -5.893 6.680 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -3.096 -7.230 7.140 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -4.439 -8.057 6.376 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -3.863 -4.385 7.011 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.962 -4.327 8.409 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -3.444 -5.250 8.508 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -2.962 -7.022 4.673 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -4.573 -6.266 4.645 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -3.210 -5.426 5.421 1.00 0.00 H new ATOM 1879 N PHE A 124 -7.178 -5.415 9.394 1.00 0.00 N ATOM 1880 CA PHE A 124 -7.680 -4.450 10.405 1.00 0.00 C ATOM 1881 C PHE A 124 -7.941 -5.167 11.724 1.00 0.00 C ATOM 1882 O PHE A 124 -8.037 -4.551 12.767 1.00 0.00 O ATOM 1883 CB PHE A 124 -8.949 -3.777 9.888 1.00 0.00 C ATOM 1884 CG PHE A 124 -8.530 -2.591 9.059 1.00 0.00 C ATOM 1885 CD1 PHE A 124 -7.866 -2.798 7.845 1.00 0.00 C ATOM 1886 CD2 PHE A 124 -8.777 -1.290 9.511 1.00 0.00 C ATOM 1887 CE1 PHE A 124 -7.450 -1.705 7.080 1.00 0.00 C ATOM 1888 CE2 PHE A 124 -8.362 -0.195 8.744 1.00 0.00 C ATOM 1889 CZ PHE A 124 -7.698 -0.403 7.530 1.00 0.00 C ATOM 0 H PHE A 124 -7.778 -5.548 8.580 1.00 0.00 H new ATOM 0 HA PHE A 124 -6.928 -3.681 10.579 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -9.536 -4.474 9.290 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -9.580 -3.460 10.718 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -7.675 -3.803 7.499 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -9.287 -1.131 10.450 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -6.938 -1.865 6.143 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -8.554 0.810 9.089 1.00 0.00 H new ATOM 0 HZ PHE A 124 -7.376 0.442 6.939 1.00 0.00 H new ATOM 1899 N GLU A 125 -8.023 -6.467 11.702 1.00 0.00 N ATOM 1900 CA GLU A 125 -8.235 -7.203 12.973 1.00 0.00 C ATOM 1901 C GLU A 125 -6.944 -7.106 13.781 1.00 0.00 C ATOM 1902 O GLU A 125 -6.928 -7.275 14.985 1.00 0.00 O ATOM 1903 CB GLU A 125 -8.558 -8.671 12.680 1.00 0.00 C ATOM 1904 CG GLU A 125 -8.956 -9.377 13.978 1.00 0.00 C ATOM 1905 CD GLU A 125 -8.105 -10.635 14.156 1.00 0.00 C ATOM 1906 OE1 GLU A 125 -8.199 -11.514 13.315 1.00 0.00 O ATOM 1907 OE2 GLU A 125 -7.374 -10.699 15.131 1.00 0.00 O ATOM 0 H GLU A 125 -7.953 -7.046 10.865 1.00 0.00 H new ATOM 0 HA GLU A 125 -9.069 -6.775 13.529 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -9.369 -8.738 11.954 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -7.692 -9.163 12.237 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -8.816 -8.707 14.826 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -10.013 -9.641 13.951 1.00 0.00 H new ATOM 1914 N LYS A 126 -5.861 -6.810 13.114 1.00 0.00 N ATOM 1915 CA LYS A 126 -4.557 -6.669 13.813 1.00 0.00 C ATOM 1916 C LYS A 126 -4.344 -5.188 14.133 1.00 0.00 C ATOM 1917 O LYS A 126 -3.782 -4.834 15.151 1.00 0.00 O ATOM 1918 CB LYS A 126 -3.433 -7.165 12.900 1.00 0.00 C ATOM 1919 CG LYS A 126 -3.716 -8.613 12.484 1.00 0.00 C ATOM 1920 CD LYS A 126 -2.724 -9.059 11.402 1.00 0.00 C ATOM 1921 CE LYS A 126 -1.426 -9.539 12.055 1.00 0.00 C ATOM 1922 NZ LYS A 126 -0.453 -9.930 10.997 1.00 0.00 N ATOM 0 H LYS A 126 -5.827 -6.659 12.106 1.00 0.00 H new ATOM 0 HA LYS A 126 -4.553 -7.257 14.731 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -3.359 -6.529 12.018 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -2.476 -7.104 13.418 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -3.639 -9.269 13.351 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -4.736 -8.698 12.109 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -3.159 -9.860 10.805 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -2.516 -8.232 10.723 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -1.005 -8.749 12.677 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -1.628 -10.387 12.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 0.429 -10.256 11.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -0.856 -10.697 10.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -0.253 -9.110 10.390 1.00 0.00 H new ATOM 1936 N LEU A 127 -4.807 -4.321 13.271 1.00 0.00 N ATOM 1937 CA LEU A 127 -4.652 -2.861 13.522 1.00 0.00 C ATOM 1938 C LEU A 127 -5.694 -2.431 14.558 1.00 0.00 C ATOM 1939 O LEU A 127 -5.540 -1.432 15.232 1.00 0.00 O ATOM 1940 CB LEU A 127 -4.868 -2.084 12.211 1.00 0.00 C ATOM 1941 CG LEU A 127 -3.669 -1.172 11.926 1.00 0.00 C ATOM 1942 CD1 LEU A 127 -3.463 -0.202 13.092 1.00 0.00 C ATOM 1943 CD2 LEU A 127 -2.409 -2.023 11.737 1.00 0.00 C ATOM 0 H LEU A 127 -5.286 -4.563 12.404 1.00 0.00 H new ATOM 0 HA LEU A 127 -3.650 -2.650 13.894 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -5.006 -2.782 11.386 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -5.778 -1.488 12.280 1.00 0.00 H new ATOM 0 HG LEU A 127 -3.862 -0.602 11.017 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -2.609 0.443 12.882 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -4.357 0.409 13.219 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -3.276 -0.766 14.006 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -1.558 -1.373 11.534 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -2.219 -2.598 12.643 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -2.553 -2.704 10.898 1.00 0.00 H new ATOM 1955 N GLY A 128 -6.752 -3.187 14.699 1.00 0.00 N ATOM 1956 CA GLY A 128 -7.798 -2.826 15.696 1.00 0.00 C ATOM 1957 C GLY A 128 -8.211 -1.368 15.502 1.00 0.00 C ATOM 1958 O GLY A 128 -7.636 -0.466 16.080 1.00 0.00 O ATOM 0 H GLY A 128 -6.935 -4.037 14.166 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -8.664 -3.478 15.581 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -7.418 -2.975 16.707 1.00 0.00 H new ATOM 1962 N MET A 129 -9.205 -1.127 14.694 1.00 0.00 N ATOM 1963 CA MET A 129 -9.657 0.273 14.464 1.00 0.00 C ATOM 1964 C MET A 129 -10.752 0.630 15.472 1.00 0.00 C ATOM 1965 O MET A 129 -10.524 1.520 16.273 1.00 0.00 O ATOM 1966 CB MET A 129 -10.210 0.403 13.043 1.00 0.00 C ATOM 1967 CG MET A 129 -9.380 1.424 12.263 1.00 0.00 C ATOM 1968 SD MET A 129 -9.593 3.063 13.001 1.00 0.00 S ATOM 1969 CE MET A 129 -8.559 3.978 11.832 1.00 0.00 C ATOM 1970 OXT MET A 129 -11.800 0.006 15.423 1.00 0.00 O ATOM 0 H MET A 129 -9.725 -1.840 14.182 1.00 0.00 H new ATOM 0 HA MET A 129 -8.813 0.952 14.590 1.00 0.00 H new ATOM 0 HB2 MET A 129 -10.182 -0.564 12.541 1.00 0.00 H new ATOM 0 HB3 MET A 129 -11.254 0.715 13.075 1.00 0.00 H new ATOM 0 HG2 MET A 129 -8.328 1.141 12.278 1.00 0.00 H new ATOM 0 HG3 MET A 129 -9.691 1.440 11.219 1.00 0.00 H new ATOM 0 HE1 MET A 129 -8.548 5.033 12.104 1.00 0.00 H new ATOM 0 HE2 MET A 129 -7.543 3.585 11.861 1.00 0.00 H new ATOM 0 HE3 MET A 129 -8.962 3.867 10.825 1.00 0.00 H new