USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 773 hydrogens (7 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 32 GLN : amide:sc= -4.11! K(o=-4.1!,f=-1) USER MOD Single : A 38 ASN : amide:sc= -2.61! C(o=-2.6!,f=-8.7!) USER MOD Single : A 41 GLN : amide:sc= 0.0308 X(o=0.031,f=-0.021) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.357 USER MOD Single : A 43 ASN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -176:sc= 0.812 (180deg=0.569) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 60 LYS NZ :NH3+ 153:sc= 2.12 (180deg=1) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0319 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 75:sc= 0.948 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot -84:sc= 1.17 USER MOD Single : A 87 ASN : amide:sc= -0.351 X(o=-0.35,f=-0.67) USER MOD Single : A 89 ASN : amide:sc= -0.0385 K(o=-0.038,f=-2.1!) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.149 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -100:sc= -0.196 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.276 K(o=-0.28,f=-1.5!) USER MOD Single : A 100 MET CE :methyl 133:sc= -0.281 (180deg=-1.16) USER MOD Single : A 101 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 169:sc= 0.123 (180deg=-0.202!) USER MOD Single : A 106 LYS NZ :NH3+ -116:sc= 1.2 (180deg=-0.0483) USER MOD Single : A 108 HIS : no HD1:sc= -0.254 X(o=-0.25,f=-0.014) USER MOD Single : A 109 MET CE :methyl -111:sc= -0.705 (180deg=-2.6!) USER MOD Single : A 110 LYS NZ :NH3+ -145:sc= 0.0535 (180deg=-0.15) USER MOD Single : A 111 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0631) USER MOD Single : A 114 SER OG : rot -125:sc= 0.872 USER MOD Single : A 117 SER OG : rot 180:sc= -0.429 USER MOD Single : A 118 TYR OH : rot 180:sc= -0.616 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 169 HC4 O4' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 26 6.878 -2.370 -14.863 1.00 8.65 N ATOM 2 CA LEU A 26 6.983 -3.388 -13.796 1.00 7.71 C ATOM 3 C LEU A 26 5.738 -3.392 -12.927 1.00 6.76 C ATOM 4 O LEU A 26 5.341 -2.359 -12.388 1.00 6.84 O ATOM 5 CB LEU A 26 8.212 -3.126 -12.917 1.00 7.84 C ATOM 6 CG LEU A 26 9.563 -3.461 -13.550 1.00 8.33 C ATOM 7 CD1 LEU A 26 10.698 -3.008 -12.647 1.00 8.50 C ATOM 8 CD2 LEU A 26 9.671 -4.955 -13.815 1.00 8.72 C ATOM 0 HA LEU A 26 7.085 -4.361 -14.277 1.00 7.71 H new ATOM 0 HB2 LEU A 26 8.215 -2.074 -12.633 1.00 7.84 H new ATOM 0 HB3 LEU A 26 8.109 -3.703 -11.998 1.00 7.84 H new ATOM 0 HG LEU A 26 9.638 -2.932 -14.500 1.00 8.33 H new ATOM 0 HD11 LEU A 26 11.653 -3.254 -13.112 1.00 8.50 H new ATOM 0 HD12 LEU A 26 10.635 -1.930 -12.496 1.00 8.50 H new ATOM 0 HD13 LEU A 26 10.622 -3.515 -11.685 1.00 8.50 H new ATOM 0 HD21 LEU A 26 10.639 -5.176 -14.266 1.00 8.72 H new ATOM 0 HD22 LEU A 26 9.576 -5.499 -12.875 1.00 8.72 H new ATOM 0 HD23 LEU A 26 8.876 -5.262 -14.494 1.00 8.72 H new ATOM 20 N ALA A 27 5.118 -4.555 -12.810 1.00 6.18 N ATOM 21 CA ALA A 27 3.967 -4.725 -11.943 1.00 5.48 C ATOM 22 C ALA A 27 4.395 -4.756 -10.478 1.00 4.38 C ATOM 23 O ALA A 27 3.682 -4.265 -9.606 1.00 4.57 O ATOM 24 CB ALA A 27 3.220 -5.995 -12.310 1.00 6.04 C ATOM 0 H ALA A 27 5.396 -5.400 -13.309 1.00 6.18 H new ATOM 0 HA ALA A 27 3.299 -3.875 -12.081 1.00 5.48 H new ATOM 0 HB1 ALA A 27 2.358 -6.113 -11.653 1.00 6.04 H new ATOM 0 HB2 ALA A 27 2.882 -5.932 -13.344 1.00 6.04 H new ATOM 0 HB3 ALA A 27 3.883 -6.853 -12.196 1.00 6.04 H new ATOM 30 N PHE A 28 5.566 -5.331 -10.215 1.00 3.64 N ATOM 31 CA PHE A 28 6.104 -5.369 -8.859 1.00 2.91 C ATOM 32 C PHE A 28 6.370 -3.957 -8.361 1.00 1.94 C ATOM 33 O PHE A 28 7.014 -3.159 -9.042 1.00 2.30 O ATOM 34 CB PHE A 28 7.385 -6.205 -8.803 1.00 3.48 C ATOM 35 CG PHE A 28 7.146 -7.686 -8.919 1.00 4.19 C ATOM 36 CD1 PHE A 28 7.431 -8.361 -10.093 1.00 4.76 C ATOM 37 CD2 PHE A 28 6.642 -8.402 -7.846 1.00 4.70 C ATOM 38 CE1 PHE A 28 7.219 -9.723 -10.195 1.00 5.72 C ATOM 39 CE2 PHE A 28 6.425 -9.763 -7.942 1.00 5.68 C ATOM 40 CZ PHE A 28 6.715 -10.424 -9.118 1.00 6.15 C ATOM 0 H PHE A 28 6.157 -5.774 -10.918 1.00 3.64 H new ATOM 0 HA PHE A 28 5.365 -5.838 -8.210 1.00 2.91 H new ATOM 0 HB2 PHE A 28 8.050 -5.889 -9.607 1.00 3.48 H new ATOM 0 HB3 PHE A 28 7.900 -6.001 -7.864 1.00 3.48 H new ATOM 0 HD1 PHE A 28 7.824 -7.817 -10.939 1.00 4.76 H new ATOM 0 HD2 PHE A 28 6.416 -7.890 -6.922 1.00 4.70 H new ATOM 0 HE1 PHE A 28 7.447 -10.238 -11.116 1.00 5.72 H new ATOM 0 HE2 PHE A 28 6.029 -10.309 -7.098 1.00 5.68 H new ATOM 0 HZ PHE A 28 6.548 -11.488 -9.196 1.00 6.15 H new ATOM 50 N GLY A 29 5.861 -3.659 -7.177 1.00 1.43 N ATOM 51 CA GLY A 29 5.915 -2.308 -6.664 1.00 0.99 C ATOM 52 C GLY A 29 4.551 -1.665 -6.694 1.00 0.78 C ATOM 53 O GLY A 29 4.281 -0.724 -5.953 1.00 1.00 O ATOM 0 H GLY A 29 5.409 -4.333 -6.559 1.00 1.43 H new ATOM 0 HA2 GLY A 29 6.294 -2.318 -5.642 1.00 0.99 H new ATOM 0 HA3 GLY A 29 6.613 -1.717 -7.257 1.00 0.99 H new ATOM 57 N ALA A 30 3.682 -2.196 -7.545 1.00 0.70 N ATOM 58 CA ALA A 30 2.351 -1.647 -7.716 1.00 0.54 C ATOM 59 C ALA A 30 1.292 -2.583 -7.144 1.00 0.49 C ATOM 60 O ALA A 30 1.001 -3.636 -7.714 1.00 0.60 O ATOM 61 CB ALA A 30 2.078 -1.389 -9.191 1.00 0.68 C ATOM 0 H ALA A 30 3.880 -3.009 -8.128 1.00 0.70 H new ATOM 0 HA ALA A 30 2.301 -0.704 -7.171 1.00 0.54 H new ATOM 0 HB1 ALA A 30 1.076 -0.977 -9.309 1.00 0.68 H new ATOM 0 HB2 ALA A 30 2.810 -0.680 -9.578 1.00 0.68 H new ATOM 0 HB3 ALA A 30 2.152 -2.325 -9.744 1.00 0.68 H new ATOM 67 N ILE A 31 0.725 -2.208 -6.015 1.00 0.40 N ATOM 68 CA ILE A 31 -0.360 -2.969 -5.423 1.00 0.39 C ATOM 69 C ILE A 31 -1.567 -2.067 -5.223 1.00 0.35 C ATOM 70 O ILE A 31 -1.429 -0.886 -4.921 1.00 0.36 O ATOM 71 CB ILE A 31 0.023 -3.582 -4.294 1.00 0.46 C ATOM 72 CG1 ILE A 31 -1.101 -4.358 -3.594 1.00 0.48 C ATOM 73 CG2 ILE A 31 0.709 -2.613 -3.334 1.00 0.52 C ATOM 74 CD1 ILE A 31 -1.906 -3.572 -2.570 1.00 0.90 C ATOM 0 H ILE A 31 0.997 -1.379 -5.487 1.00 0.40 H new ATOM 0 HA ILE A 31 -0.649 -3.767 -6.107 1.00 0.39 H new ATOM 0 HB ILE A 31 0.751 -4.332 -4.604 1.00 0.46 H new ATOM 0 HG12 ILE A 31 -1.785 -4.736 -4.354 1.00 0.48 H new ATOM 0 HG13 ILE A 31 -0.665 -5.225 -3.098 1.00 0.48 H new ATOM 0 HG21 ILE A 31 1.006 -3.145 -2.430 1.00 0.52 H new ATOM 0 HG22 ILE A 31 1.592 -2.191 -3.813 1.00 0.52 H new ATOM 0 HG23 ILE A 31 0.019 -1.810 -3.073 1.00 0.52 H new ATOM 0 HD11 ILE A 31 -2.672 -4.216 -2.138 1.00 0.90 H new ATOM 0 HD12 ILE A 31 -1.243 -3.217 -1.781 1.00 0.90 H new ATOM 0 HD13 ILE A 31 -2.380 -2.720 -3.057 1.00 0.90 H new ATOM 86 N GLN A 32 -2.737 -2.604 -5.505 1.00 0.38 N ATOM 87 CA GLN A 32 -3.967 -1.848 -5.360 1.00 0.40 C ATOM 88 C GLN A 32 -4.791 -2.387 -4.200 1.00 0.37 C ATOM 89 O GLN A 32 -5.069 -3.589 -4.110 1.00 0.44 O ATOM 90 CB GLN A 32 -4.775 -1.869 -6.661 1.00 0.50 C ATOM 91 CG GLN A 32 -5.288 -3.240 -7.057 1.00 0.55 C ATOM 92 CD GLN A 32 -6.044 -3.224 -8.366 1.00 1.11 C ATOM 93 OE1 GLN A 32 -5.466 -3.426 -9.433 1.00 2.22 O ATOM 94 NE2 GLN A 32 -7.340 -2.971 -8.295 1.00 0.93 N ATOM 0 H GLN A 32 -2.863 -3.561 -5.836 1.00 0.38 H new ATOM 0 HA GLN A 32 -3.709 -0.812 -5.142 1.00 0.40 H new ATOM 0 HB2 GLN A 32 -5.624 -1.193 -6.559 1.00 0.50 H new ATOM 0 HB3 GLN A 32 -4.153 -1.480 -7.467 1.00 0.50 H new ATOM 0 HG2 GLN A 32 -4.447 -3.929 -7.136 1.00 0.55 H new ATOM 0 HG3 GLN A 32 -5.939 -3.621 -6.270 1.00 0.55 H new ATOM 0 HE21 GLN A 32 -7.779 -2.809 -7.389 1.00 0.93 H new ATOM 0 HE22 GLN A 32 -7.900 -2.938 -9.147 1.00 0.93 H new ATOM 103 N LEU A 33 -5.155 -1.497 -3.300 1.00 0.34 N ATOM 104 CA LEU A 33 -5.968 -1.865 -2.155 1.00 0.36 C ATOM 105 C LEU A 33 -7.226 -1.022 -2.119 1.00 0.35 C ATOM 106 O LEU A 33 -7.329 -0.009 -2.806 1.00 0.43 O ATOM 107 CB LEU A 33 -5.157 -1.749 -0.852 1.00 0.45 C ATOM 108 CG LEU A 33 -4.389 -0.440 -0.632 1.00 0.46 C ATOM 109 CD1 LEU A 33 -5.313 0.673 -0.166 1.00 0.72 C ATOM 110 CD2 LEU A 33 -3.268 -0.654 0.373 1.00 0.71 C ATOM 0 H LEU A 33 -4.901 -0.510 -3.338 1.00 0.34 H new ATOM 0 HA LEU A 33 -6.270 -2.908 -2.251 1.00 0.36 H new ATOM 0 HB2 LEU A 33 -5.839 -1.888 -0.013 1.00 0.45 H new ATOM 0 HB3 LEU A 33 -4.443 -2.572 -0.822 1.00 0.45 H new ATOM 0 HG LEU A 33 -3.959 -0.137 -1.586 1.00 0.46 H new ATOM 0 HD11 LEU A 33 -4.737 1.587 -0.019 1.00 0.72 H new ATOM 0 HD12 LEU A 33 -6.083 0.846 -0.918 1.00 0.72 H new ATOM 0 HD13 LEU A 33 -5.783 0.386 0.775 1.00 0.72 H new ATOM 0 HD21 LEU A 33 -2.729 0.282 0.522 1.00 0.71 H new ATOM 0 HD22 LEU A 33 -3.689 -0.985 1.322 1.00 0.71 H new ATOM 0 HD23 LEU A 33 -2.581 -1.412 -0.004 1.00 0.71 H new ATOM 122 N ASP A 34 -8.196 -1.461 -1.358 1.00 0.35 N ATOM 123 CA ASP A 34 -9.445 -0.717 -1.251 1.00 0.45 C ATOM 124 C ASP A 34 -9.357 0.338 -0.165 1.00 0.53 C ATOM 125 O ASP A 34 -8.439 0.339 0.659 1.00 0.58 O ATOM 126 CB ASP A 34 -10.652 -1.645 -1.030 1.00 0.55 C ATOM 127 CG ASP A 34 -10.683 -2.349 0.316 1.00 0.65 C ATOM 128 OD1 ASP A 34 -9.930 -1.965 1.229 1.00 0.88 O ATOM 129 OD2 ASP A 34 -11.498 -3.286 0.465 1.00 1.15 O ATOM 0 H ASP A 34 -8.156 -2.318 -0.806 1.00 0.35 H new ATOM 0 HA ASP A 34 -9.603 -0.211 -2.203 1.00 0.45 H new ATOM 0 HB2 ASP A 34 -11.565 -1.060 -1.138 1.00 0.55 H new ATOM 0 HB3 ASP A 34 -10.661 -2.399 -1.817 1.00 0.55 H new ATOM 134 N GLY A 35 -10.314 1.245 -0.183 1.00 0.67 N ATOM 135 CA GLY A 35 -10.371 2.297 0.814 1.00 0.84 C ATOM 136 C GLY A 35 -10.908 1.801 2.141 1.00 0.85 C ATOM 137 O GLY A 35 -11.495 2.561 2.914 1.00 1.20 O ATOM 0 H GLY A 35 -11.062 1.275 -0.876 1.00 0.67 H new ATOM 0 HA2 GLY A 35 -9.373 2.711 0.960 1.00 0.84 H new ATOM 0 HA3 GLY A 35 -11.002 3.107 0.449 1.00 0.84 H new ATOM 141 N ASP A 36 -10.703 0.522 2.405 1.00 0.69 N ATOM 142 CA ASP A 36 -11.219 -0.103 3.604 1.00 0.83 C ATOM 143 C ASP A 36 -10.101 -0.818 4.355 1.00 0.83 C ATOM 144 O ASP A 36 -10.285 -1.277 5.484 1.00 1.10 O ATOM 145 CB ASP A 36 -12.322 -1.082 3.223 1.00 0.89 C ATOM 146 CG ASP A 36 -13.189 -1.464 4.402 1.00 1.24 C ATOM 147 OD1 ASP A 36 -13.454 -2.673 4.589 1.00 1.81 O ATOM 148 OD2 ASP A 36 -13.614 -0.557 5.154 1.00 1.77 O ATOM 0 H ASP A 36 -10.178 -0.106 1.797 1.00 0.69 H new ATOM 0 HA ASP A 36 -11.630 0.662 4.263 1.00 0.83 H new ATOM 0 HB2 ASP A 36 -12.945 -0.638 2.446 1.00 0.89 H new ATOM 0 HB3 ASP A 36 -11.875 -1.981 2.798 1.00 0.89 H new ATOM 153 N GLY A 37 -8.938 -0.909 3.719 1.00 0.67 N ATOM 154 CA GLY A 37 -7.789 -1.525 4.354 1.00 0.81 C ATOM 155 C GLY A 37 -7.578 -2.953 3.892 1.00 0.78 C ATOM 156 O GLY A 37 -6.789 -3.699 4.479 1.00 1.05 O ATOM 0 H GLY A 37 -8.771 -0.566 2.773 1.00 0.67 H new ATOM 0 HA2 GLY A 37 -6.897 -0.938 4.135 1.00 0.81 H new ATOM 0 HA3 GLY A 37 -7.922 -1.511 5.436 1.00 0.81 H new ATOM 160 N ASN A 38 -8.295 -3.334 2.845 1.00 0.61 N ATOM 161 CA ASN A 38 -8.215 -4.677 2.287 1.00 0.73 C ATOM 162 C ASN A 38 -7.457 -4.654 0.974 1.00 0.57 C ATOM 163 O ASN A 38 -7.505 -3.669 0.234 1.00 0.49 O ATOM 164 CB ASN A 38 -9.614 -5.256 2.060 1.00 0.95 C ATOM 165 CG ASN A 38 -10.311 -5.699 3.337 1.00 1.13 C ATOM 166 OD1 ASN A 38 -11.114 -6.624 3.313 1.00 1.57 O ATOM 167 ND2 ASN A 38 -10.017 -5.052 4.456 1.00 1.38 N ATOM 0 H ASN A 38 -8.949 -2.721 2.358 1.00 0.61 H new ATOM 0 HA ASN A 38 -7.685 -5.309 3.000 1.00 0.73 H new ATOM 0 HB2 ASN A 38 -10.230 -4.507 1.562 1.00 0.95 H new ATOM 0 HB3 ASN A 38 -9.539 -6.108 1.384 1.00 0.95 H new ATOM 0 HD21 ASN A 38 -10.464 -5.320 5.333 1.00 1.38 H new ATOM 0 HD22 ASN A 38 -9.343 -4.286 4.440 1.00 1.38 H new ATOM 174 N ILE A 39 -6.756 -5.735 0.682 1.00 0.65 N ATOM 175 CA ILE A 39 -5.996 -5.827 -0.544 1.00 0.57 C ATOM 176 C ILE A 39 -6.907 -6.284 -1.675 1.00 0.59 C ATOM 177 O ILE A 39 -7.637 -7.267 -1.537 1.00 0.77 O ATOM 178 CB ILE A 39 -4.985 -6.679 -0.422 1.00 0.62 C ATOM 179 CG1 ILE A 39 -4.076 -6.318 0.758 1.00 0.72 C ATOM 180 CG2 ILE A 39 -4.169 -6.748 -1.710 1.00 0.61 C ATOM 181 CD1 ILE A 39 -3.516 -4.908 0.702 1.00 1.18 C ATOM 0 H ILE A 39 -6.700 -6.560 1.280 1.00 0.65 H new ATOM 0 HA ILE A 39 -5.589 -4.841 -0.766 1.00 0.57 H new ATOM 0 HB ILE A 39 -5.417 -7.660 -0.226 1.00 0.62 H new ATOM 0 HG12 ILE A 39 -4.637 -6.438 1.685 1.00 0.72 H new ATOM 0 HG13 ILE A 39 -3.247 -7.025 0.794 1.00 0.72 H new ATOM 0 HG21 ILE A 39 -3.347 -7.453 -1.583 1.00 0.61 H new ATOM 0 HG22 ILE A 39 -4.808 -7.080 -2.528 1.00 0.61 H new ATOM 0 HG23 ILE A 39 -3.768 -5.761 -1.940 1.00 0.61 H new ATOM 0 HD11 ILE A 39 -2.884 -4.733 1.573 1.00 1.18 H new ATOM 0 HD12 ILE A 39 -2.925 -4.787 -0.206 1.00 1.18 H new ATOM 0 HD13 ILE A 39 -4.337 -4.190 0.699 1.00 1.18 H new ATOM 193 N LEU A 40 -6.881 -5.561 -2.780 1.00 0.51 N ATOM 194 CA LEU A 40 -7.751 -5.871 -3.896 1.00 0.61 C ATOM 195 C LEU A 40 -7.002 -6.707 -4.921 1.00 0.60 C ATOM 196 O LEU A 40 -7.492 -7.746 -5.365 1.00 0.72 O ATOM 197 CB LEU A 40 -8.284 -4.582 -4.527 1.00 0.66 C ATOM 198 CG LEU A 40 -9.375 -4.770 -5.586 1.00 1.07 C ATOM 199 CD1 LEU A 40 -10.555 -5.530 -5.005 1.00 1.56 C ATOM 200 CD2 LEU A 40 -9.827 -3.420 -6.121 1.00 1.54 C ATOM 0 H LEU A 40 -6.269 -4.758 -2.927 1.00 0.51 H new ATOM 0 HA LEU A 40 -8.602 -6.449 -3.535 1.00 0.61 H new ATOM 0 HB2 LEU A 40 -8.677 -3.945 -3.734 1.00 0.66 H new ATOM 0 HB3 LEU A 40 -7.449 -4.048 -4.981 1.00 0.66 H new ATOM 0 HG LEU A 40 -8.962 -5.352 -6.410 1.00 1.07 H new ATOM 0 HD11 LEU A 40 -11.320 -5.654 -5.771 1.00 1.56 H new ATOM 0 HD12 LEU A 40 -10.223 -6.510 -4.661 1.00 1.56 H new ATOM 0 HD13 LEU A 40 -10.969 -4.972 -4.165 1.00 1.56 H new ATOM 0 HD21 LEU A 40 -10.602 -3.568 -6.873 1.00 1.54 H new ATOM 0 HD22 LEU A 40 -10.224 -2.819 -5.303 1.00 1.54 H new ATOM 0 HD23 LEU A 40 -8.979 -2.904 -6.571 1.00 1.54 H new ATOM 212 N GLN A 41 -5.803 -6.262 -5.278 1.00 0.50 N ATOM 213 CA GLN A 41 -4.981 -6.989 -6.239 1.00 0.55 C ATOM 214 C GLN A 41 -3.531 -6.524 -6.183 1.00 0.46 C ATOM 215 O GLN A 41 -3.233 -5.343 -6.354 1.00 0.46 O ATOM 216 CB GLN A 41 -5.532 -6.809 -7.658 1.00 0.67 C ATOM 217 CG GLN A 41 -4.776 -7.576 -8.739 1.00 1.08 C ATOM 218 CD GLN A 41 -4.837 -9.082 -8.561 1.00 1.73 C ATOM 219 OE1 GLN A 41 -5.783 -9.733 -9.003 1.00 2.41 O ATOM 220 NE2 GLN A 41 -3.807 -9.658 -7.960 1.00 2.37 N ATOM 0 H GLN A 41 -5.380 -5.406 -4.919 1.00 0.50 H new ATOM 0 HA GLN A 41 -5.014 -8.046 -5.975 1.00 0.55 H new ATOM 0 HB2 GLN A 41 -6.575 -7.124 -7.670 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.517 -5.748 -7.907 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -5.187 -7.316 -9.714 1.00 1.08 H new ATOM 0 HG3 GLN A 41 -3.733 -7.259 -8.738 1.00 1.08 H new ATOM 0 HE21 GLN A 41 -3.039 -9.088 -7.605 1.00 2.37 H new ATOM 0 HE22 GLN A 41 -3.781 -10.672 -7.852 1.00 2.37 H new ATOM 229 N TYR A 42 -2.639 -7.458 -5.915 1.00 0.57 N ATOM 230 CA TYR A 42 -1.217 -7.201 -6.024 1.00 0.58 C ATOM 231 C TYR A 42 -0.776 -7.532 -7.439 1.00 0.65 C ATOM 232 O TYR A 42 -1.009 -8.642 -7.919 1.00 0.79 O ATOM 233 CB TYR A 42 -0.438 -8.039 -5.002 1.00 0.71 C ATOM 234 CG TYR A 42 1.063 -7.840 -5.058 1.00 0.82 C ATOM 235 CD1 TYR A 42 1.867 -8.684 -5.812 1.00 1.09 C ATOM 236 CD2 TYR A 42 1.672 -6.806 -4.358 1.00 0.82 C ATOM 237 CE1 TYR A 42 3.236 -8.505 -5.869 1.00 1.26 C ATOM 238 CE2 TYR A 42 3.040 -6.619 -4.409 1.00 1.02 C ATOM 239 CZ TYR A 42 3.819 -7.478 -5.158 1.00 1.21 C ATOM 240 OH TYR A 42 5.181 -7.285 -5.219 1.00 1.42 O ATOM 0 H TYR A 42 -2.876 -8.405 -5.619 1.00 0.57 H new ATOM 0 HA TYR A 42 -1.013 -6.152 -5.812 1.00 0.58 H new ATOM 0 HB2 TYR A 42 -0.790 -7.791 -4.001 1.00 0.71 H new ATOM 0 HB3 TYR A 42 -0.661 -9.093 -5.166 1.00 0.71 H new ATOM 0 HD1 TYR A 42 1.415 -9.495 -6.364 1.00 1.09 H new ATOM 0 HD2 TYR A 42 1.066 -6.137 -3.764 1.00 0.82 H new ATOM 0 HE1 TYR A 42 3.846 -9.166 -6.467 1.00 1.26 H new ATOM 0 HE2 TYR A 42 3.497 -5.805 -3.866 1.00 1.02 H new ATOM 0 HH TYR A 42 5.428 -6.518 -4.661 1.00 1.42 H new ATOM 250 N ASN A 43 -0.173 -6.571 -8.117 1.00 0.63 N ATOM 251 CA ASN A 43 0.236 -6.776 -9.497 1.00 0.75 C ATOM 252 C ASN A 43 1.563 -7.510 -9.550 1.00 0.92 C ATOM 253 O ASN A 43 2.593 -6.996 -9.119 1.00 1.02 O ATOM 254 CB ASN A 43 0.343 -5.449 -10.257 1.00 0.78 C ATOM 255 CG ASN A 43 -0.982 -4.716 -10.359 1.00 0.73 C ATOM 256 OD1 ASN A 43 -1.775 -4.958 -11.269 1.00 1.21 O ATOM 257 ND2 ASN A 43 -1.220 -3.799 -9.434 1.00 0.88 N ATOM 0 H ASN A 43 0.043 -5.648 -7.739 1.00 0.63 H new ATOM 0 HA ASN A 43 -0.531 -7.381 -9.981 1.00 0.75 H new ATOM 0 HB2 ASN A 43 1.069 -4.808 -9.757 1.00 0.78 H new ATOM 0 HB3 ASN A 43 0.724 -5.641 -11.260 1.00 0.78 H new ATOM 0 HD21 ASN A 43 -2.087 -3.262 -9.459 1.00 0.88 H new ATOM 0 HD22 ASN A 43 -0.536 -3.629 -8.696 1.00 0.88 H new ATOM 264 N ALA A 44 1.526 -8.731 -10.047 1.00 1.13 N ATOM 265 CA ALA A 44 2.734 -9.503 -10.252 1.00 1.36 C ATOM 266 C ALA A 44 3.061 -9.558 -11.736 1.00 1.78 C ATOM 267 O ALA A 44 2.157 -9.663 -12.568 1.00 2.50 O ATOM 268 CB ALA A 44 2.576 -10.905 -9.683 1.00 2.05 C ATOM 0 H ALA A 44 0.667 -9.211 -10.317 1.00 1.13 H new ATOM 0 HA ALA A 44 3.558 -9.019 -9.727 1.00 1.36 H new ATOM 0 HB1 ALA A 44 3.494 -11.470 -9.847 1.00 2.05 H new ATOM 0 HB2 ALA A 44 2.374 -10.843 -8.614 1.00 2.05 H new ATOM 0 HB3 ALA A 44 1.747 -11.408 -10.180 1.00 2.05 H new ATOM 274 N ALA A 45 4.343 -9.473 -12.066 1.00 2.22 N ATOM 275 CA ALA A 45 4.772 -9.471 -13.460 1.00 3.09 C ATOM 276 C ALA A 45 4.317 -10.739 -14.169 1.00 3.52 C ATOM 277 O ALA A 45 4.547 -11.849 -13.684 1.00 3.90 O ATOM 278 CB ALA A 45 6.283 -9.324 -13.553 1.00 4.00 C ATOM 0 H ALA A 45 5.103 -9.405 -11.390 1.00 2.22 H new ATOM 0 HA ALA A 45 4.309 -8.618 -13.956 1.00 3.09 H new ATOM 0 HB1 ALA A 45 6.585 -9.325 -14.600 1.00 4.00 H new ATOM 0 HB2 ALA A 45 6.587 -8.386 -13.088 1.00 4.00 H new ATOM 0 HB3 ALA A 45 6.762 -10.156 -13.037 1.00 4.00 H new ATOM 284 N GLU A 46 3.665 -10.561 -15.307 1.00 4.02 N ATOM 285 CA GLU A 46 3.136 -11.677 -16.073 1.00 4.87 C ATOM 286 C GLU A 46 4.267 -12.505 -16.667 1.00 5.45 C ATOM 287 O GLU A 46 4.853 -12.139 -17.687 1.00 5.90 O ATOM 288 CB GLU A 46 2.211 -11.179 -17.181 1.00 5.61 C ATOM 289 CG GLU A 46 1.007 -10.401 -16.672 1.00 5.96 C ATOM 290 CD GLU A 46 0.050 -10.027 -17.782 1.00 6.73 C ATOM 291 OE1 GLU A 46 0.134 -8.887 -18.291 1.00 7.09 O ATOM 292 OE2 GLU A 46 -0.788 -10.879 -18.155 1.00 7.21 O ATOM 0 H GLU A 46 3.489 -9.646 -15.723 1.00 4.02 H new ATOM 0 HA GLU A 46 2.560 -12.309 -15.397 1.00 4.87 H new ATOM 0 HB2 GLU A 46 2.781 -10.545 -17.860 1.00 5.61 H new ATOM 0 HB3 GLU A 46 1.861 -12.033 -17.761 1.00 5.61 H new ATOM 0 HG2 GLU A 46 0.480 -10.998 -15.928 1.00 5.96 H new ATOM 0 HG3 GLU A 46 1.349 -9.496 -16.170 1.00 5.96 H new ATOM 299 N GLY A 47 4.582 -13.606 -16.011 1.00 5.76 N ATOM 300 CA GLY A 47 5.648 -14.461 -16.471 1.00 6.54 C ATOM 301 C GLY A 47 5.882 -15.620 -15.535 1.00 6.69 C ATOM 302 O GLY A 47 5.284 -16.682 -15.692 1.00 6.97 O ATOM 0 H GLY A 47 4.114 -13.924 -15.162 1.00 5.76 H new ATOM 0 HA2 GLY A 47 5.407 -14.839 -17.464 1.00 6.54 H new ATOM 0 HA3 GLY A 47 6.565 -13.879 -16.565 1.00 6.54 H new ATOM 306 N ASP A 48 6.736 -15.416 -14.545 1.00 6.81 N ATOM 307 CA ASP A 48 7.085 -16.478 -13.613 1.00 7.22 C ATOM 308 C ASP A 48 7.327 -15.930 -12.220 1.00 7.49 C ATOM 309 O ASP A 48 8.245 -15.135 -12.009 1.00 7.74 O ATOM 310 CB ASP A 48 8.342 -17.225 -14.073 1.00 7.72 C ATOM 311 CG ASP A 48 8.103 -18.118 -15.271 1.00 8.18 C ATOM 312 OD1 ASP A 48 7.566 -19.228 -15.092 1.00 8.38 O ATOM 313 OD2 ASP A 48 8.474 -17.724 -16.398 1.00 8.59 O ATOM 0 H ASP A 48 7.200 -14.526 -14.365 1.00 6.81 H new ATOM 0 HA ASP A 48 6.241 -17.167 -13.588 1.00 7.22 H new ATOM 0 HB2 ASP A 48 9.118 -16.500 -14.318 1.00 7.72 H new ATOM 0 HB3 ASP A 48 8.720 -17.829 -13.248 1.00 7.72 H new ATOM 318 N ILE A 49 6.492 -16.342 -11.277 1.00 7.75 N ATOM 319 CA ILE A 49 6.740 -16.075 -9.866 1.00 8.31 C ATOM 320 C ILE A 49 7.902 -16.950 -9.407 1.00 8.64 C ATOM 321 O ILE A 49 8.775 -16.502 -8.660 1.00 9.15 O ATOM 322 CB ILE A 49 5.666 -16.337 -9.130 1.00 8.70 C ATOM 323 CG1 ILE A 49 4.455 -15.546 -9.630 1.00 8.59 C ATOM 324 CG2 ILE A 49 5.935 -16.020 -7.657 1.00 9.24 C ATOM 325 CD1 ILE A 49 3.185 -15.833 -8.858 1.00 9.12 C ATOM 0 H ILE A 49 5.635 -16.863 -11.463 1.00 7.75 H new ATOM 0 HA ILE A 49 6.980 -15.019 -9.741 1.00 8.31 H new ATOM 0 HB ILE A 49 5.443 -17.400 -9.224 1.00 8.70 H new ATOM 0 HG12 ILE A 49 4.676 -14.480 -9.567 1.00 8.59 H new ATOM 0 HG13 ILE A 49 4.291 -15.776 -10.683 1.00 8.59 H new ATOM 0 HG21 ILE A 49 5.044 -16.241 -7.069 1.00 9.24 H new ATOM 0 HG22 ILE A 49 6.766 -16.629 -7.300 1.00 9.24 H new ATOM 0 HG23 ILE A 49 6.187 -14.965 -7.552 1.00 9.24 H new ATOM 0 HD11 ILE A 49 2.368 -15.238 -9.267 1.00 9.12 H new ATOM 0 HD12 ILE A 49 2.940 -16.892 -8.942 1.00 9.12 H new ATOM 0 HD13 ILE A 49 3.331 -15.576 -7.809 1.00 9.12 H new ATOM 337 N THR A 50 7.918 -18.179 -9.948 1.00 8.56 N ATOM 338 CA THR A 50 8.973 -19.176 -9.725 1.00 9.03 C ATOM 339 C THR A 50 9.408 -19.261 -8.254 1.00 9.23 C ATOM 340 O THR A 50 10.530 -18.913 -7.872 1.00 9.50 O ATOM 341 CB THR A 50 10.014 -19.021 -10.565 1.00 9.31 C ATOM 342 OG1 THR A 50 10.951 -20.095 -10.394 1.00 9.41 O ATOM 343 CG2 THR A 50 10.746 -17.688 -10.433 1.00 9.82 C ATOM 0 H THR A 50 7.179 -18.513 -10.567 1.00 8.56 H new ATOM 0 HA THR A 50 8.531 -20.143 -9.963 1.00 9.03 H new ATOM 0 HB THR A 50 9.581 -19.033 -11.565 1.00 9.31 H new ATOM 0 HG1 THR A 50 11.703 -19.974 -11.010 1.00 9.41 H new ATOM 0 HG21 THR A 50 11.568 -17.652 -11.148 1.00 9.82 H new ATOM 0 HG22 THR A 50 10.053 -16.871 -10.635 1.00 9.82 H new ATOM 0 HG23 THR A 50 11.140 -17.588 -9.422 1.00 9.82 H new ATOM 351 N GLY A 51 8.508 -19.773 -7.430 1.00 9.30 N ATOM 352 CA GLY A 51 8.805 -19.948 -6.028 1.00 9.62 C ATOM 353 C GLY A 51 7.574 -19.816 -5.159 1.00 9.32 C ATOM 354 O GLY A 51 6.570 -19.232 -5.576 1.00 9.37 O ATOM 0 H GLY A 51 7.574 -20.071 -7.710 1.00 9.30 H new ATOM 0 HA2 GLY A 51 9.252 -20.930 -5.874 1.00 9.62 H new ATOM 0 HA3 GLY A 51 9.545 -19.209 -5.721 1.00 9.62 H new ATOM 358 N ARG A 52 7.636 -20.373 -3.959 1.00 9.21 N ATOM 359 CA ARG A 52 6.546 -20.243 -3.004 1.00 9.00 C ATOM 360 C ARG A 52 6.715 -18.969 -2.184 1.00 8.48 C ATOM 361 O ARG A 52 7.347 -18.965 -1.124 1.00 8.73 O ATOM 362 CB ARG A 52 6.459 -21.477 -2.097 1.00 9.54 C ATOM 363 CG ARG A 52 7.787 -21.913 -1.498 1.00 10.23 C ATOM 364 CD ARG A 52 7.616 -23.090 -0.550 1.00 10.92 C ATOM 365 NE ARG A 52 6.949 -24.229 -1.188 1.00 11.43 N ATOM 366 CZ ARG A 52 7.501 -25.434 -1.328 1.00 12.12 C ATOM 367 NH1 ARG A 52 8.761 -25.639 -0.966 1.00 12.40 N ATOM 368 NH2 ARG A 52 6.799 -26.429 -1.854 1.00 12.72 N ATOM 0 H ARG A 52 8.429 -20.919 -3.623 1.00 9.21 H new ATOM 0 HA ARG A 52 5.608 -20.175 -3.556 1.00 9.00 H new ATOM 0 HB2 ARG A 52 5.760 -21.268 -1.287 1.00 9.54 H new ATOM 0 HB3 ARG A 52 6.044 -22.306 -2.671 1.00 9.54 H new ATOM 0 HG2 ARG A 52 8.475 -22.187 -2.298 1.00 10.23 H new ATOM 0 HG3 ARG A 52 8.237 -21.077 -0.963 1.00 10.23 H new ATOM 0 HD2 ARG A 52 8.594 -23.403 -0.184 1.00 10.92 H new ATOM 0 HD3 ARG A 52 7.037 -22.773 0.318 1.00 10.92 H new ATOM 0 HE ARG A 52 6.004 -24.091 -1.547 1.00 11.43 H new ATOM 0 HH11 ARG A 52 9.311 -24.873 -0.579 1.00 12.40 H new ATOM 0 HH12 ARG A 52 9.179 -26.563 -1.075 1.00 12.40 H new ATOM 0 HH21 ARG A 52 5.836 -26.272 -2.152 1.00 12.72 H new ATOM 0 HH22 ARG A 52 7.222 -27.351 -1.961 1.00 12.72 H new ATOM 382 N ASP A 53 6.169 -17.882 -2.702 1.00 7.97 N ATOM 383 CA ASP A 53 6.322 -16.573 -2.083 1.00 7.57 C ATOM 384 C ASP A 53 5.407 -16.453 -0.865 1.00 7.11 C ATOM 385 O ASP A 53 4.208 -16.736 -0.952 1.00 6.96 O ATOM 386 CB ASP A 53 5.988 -15.480 -3.104 1.00 7.63 C ATOM 387 CG ASP A 53 6.587 -14.130 -2.752 1.00 7.90 C ATOM 388 OD1 ASP A 53 6.366 -13.641 -1.631 1.00 8.01 O ATOM 389 OD2 ASP A 53 7.263 -13.532 -3.618 1.00 8.24 O ATOM 0 H ASP A 53 5.611 -17.879 -3.556 1.00 7.97 H new ATOM 0 HA ASP A 53 7.354 -16.453 -1.754 1.00 7.57 H new ATOM 0 HB2 ASP A 53 6.350 -15.786 -4.086 1.00 7.63 H new ATOM 0 HB3 ASP A 53 4.905 -15.381 -3.180 1.00 7.63 H new ATOM 394 N PRO A 54 5.959 -16.042 0.289 1.00 7.19 N ATOM 395 CA PRO A 54 5.191 -15.875 1.531 1.00 7.04 C ATOM 396 C PRO A 54 4.316 -14.617 1.531 1.00 6.40 C ATOM 397 O PRO A 54 4.178 -13.942 2.552 1.00 6.42 O ATOM 398 CB PRO A 54 6.281 -15.765 2.596 1.00 7.72 C ATOM 399 CG PRO A 54 7.444 -15.174 1.879 1.00 8.11 C ATOM 400 CD PRO A 54 7.389 -15.720 0.480 1.00 7.77 C ATOM 0 HA PRO A 54 4.491 -16.696 1.687 1.00 7.04 H new ATOM 0 HB2 PRO A 54 5.963 -15.133 3.425 1.00 7.72 H new ATOM 0 HB3 PRO A 54 6.527 -16.741 3.015 1.00 7.72 H new ATOM 0 HG2 PRO A 54 7.388 -14.085 1.875 1.00 8.11 H new ATOM 0 HG3 PRO A 54 8.381 -15.443 2.366 1.00 8.11 H new ATOM 0 HD2 PRO A 54 7.736 -14.989 -0.250 1.00 7.77 H new ATOM 0 HD3 PRO A 54 8.017 -16.604 0.369 1.00 7.77 H new ATOM 408 N LYS A 55 3.711 -14.320 0.389 1.00 6.12 N ATOM 409 CA LYS A 55 2.852 -13.150 0.256 1.00 5.80 C ATOM 410 C LYS A 55 1.451 -13.426 0.784 1.00 5.33 C ATOM 411 O LYS A 55 0.628 -14.039 0.103 1.00 5.67 O ATOM 412 CB LYS A 55 2.765 -12.701 -1.205 1.00 6.46 C ATOM 413 CG LYS A 55 3.936 -11.851 -1.661 1.00 7.19 C ATOM 414 CD LYS A 55 3.879 -11.598 -3.158 1.00 8.01 C ATOM 415 CE LYS A 55 4.940 -10.604 -3.603 1.00 8.64 C ATOM 416 NZ LYS A 55 6.319 -11.042 -3.257 1.00 9.24 N ATOM 0 H LYS A 55 3.799 -14.875 -0.462 1.00 6.12 H new ATOM 0 HA LYS A 55 3.299 -12.354 0.851 1.00 5.80 H new ATOM 0 HB2 LYS A 55 2.700 -13.583 -1.842 1.00 6.46 H new ATOM 0 HB3 LYS A 55 1.843 -12.137 -1.347 1.00 6.46 H new ATOM 0 HG2 LYS A 55 3.928 -10.900 -1.128 1.00 7.19 H new ATOM 0 HG3 LYS A 55 4.872 -12.350 -1.409 1.00 7.19 H new ATOM 0 HD2 LYS A 55 4.016 -12.539 -3.691 1.00 8.01 H new ATOM 0 HD3 LYS A 55 2.892 -11.221 -3.426 1.00 8.01 H new ATOM 0 HE2 LYS A 55 4.869 -10.461 -4.681 1.00 8.64 H new ATOM 0 HE3 LYS A 55 4.743 -9.637 -3.140 1.00 8.64 H new ATOM 0 HZ1 LYS A 55 6.996 -10.298 -3.522 1.00 9.24 H new ATOM 0 HZ2 LYS A 55 6.381 -11.218 -2.234 1.00 9.24 H new ATOM 0 HZ3 LYS A 55 6.545 -11.916 -3.773 1.00 9.24 H new ATOM 430 N GLN A 56 1.194 -12.987 2.005 1.00 4.97 N ATOM 431 CA GLN A 56 -0.149 -13.033 2.561 1.00 4.93 C ATOM 432 C GLN A 56 -0.768 -11.641 2.537 1.00 4.31 C ATOM 433 O GLN A 56 -1.872 -11.424 3.036 1.00 4.54 O ATOM 434 CB GLN A 56 -0.137 -13.598 3.984 1.00 5.58 C ATOM 435 CG GLN A 56 0.068 -15.101 4.024 1.00 6.20 C ATOM 436 CD GLN A 56 0.070 -15.666 5.430 1.00 6.94 C ATOM 437 OE1 GLN A 56 0.500 -15.012 6.381 1.00 7.39 O ATOM 438 NE2 GLN A 56 -0.429 -16.884 5.571 1.00 7.40 N ATOM 0 H GLN A 56 1.898 -12.595 2.631 1.00 4.97 H new ATOM 0 HA GLN A 56 -0.756 -13.699 1.947 1.00 4.93 H new ATOM 0 HB2 GLN A 56 0.655 -13.114 4.555 1.00 5.58 H new ATOM 0 HB3 GLN A 56 -1.079 -13.352 4.474 1.00 5.58 H new ATOM 0 HG2 GLN A 56 -0.720 -15.584 3.446 1.00 6.20 H new ATOM 0 HG3 GLN A 56 1.014 -15.345 3.540 1.00 6.20 H new ATOM 0 HE21 GLN A 56 -0.775 -17.391 4.756 1.00 7.40 H new ATOM 0 HE22 GLN A 56 -0.468 -17.315 6.494 1.00 7.40 H new ATOM 447 N VAL A 57 -0.046 -10.704 1.929 1.00 3.91 N ATOM 448 CA VAL A 57 -0.529 -9.338 1.757 1.00 3.65 C ATOM 449 C VAL A 57 -1.377 -9.237 0.471 1.00 2.70 C ATOM 450 O VAL A 57 -1.367 -8.246 -0.268 1.00 3.03 O ATOM 451 CB VAL A 57 0.490 -8.472 1.764 1.00 4.38 C ATOM 452 CG1 VAL A 57 1.390 -8.626 0.534 1.00 5.06 C ATOM 453 CG2 VAL A 57 0.013 -7.035 1.935 1.00 4.94 C ATOM 0 H VAL A 57 0.884 -10.869 1.544 1.00 3.91 H new ATOM 0 HA VAL A 57 -1.172 -9.074 2.597 1.00 3.65 H new ATOM 0 HB VAL A 57 1.100 -8.716 2.634 1.00 4.38 H new ATOM 0 HG11 VAL A 57 2.203 -7.902 0.585 1.00 5.06 H new ATOM 0 HG12 VAL A 57 1.804 -9.634 0.510 1.00 5.06 H new ATOM 0 HG13 VAL A 57 0.805 -8.452 -0.369 1.00 5.06 H new ATOM 0 HG21 VAL A 57 0.872 -6.364 1.935 1.00 4.94 H new ATOM 0 HG22 VAL A 57 -0.652 -6.772 1.113 1.00 4.94 H new ATOM 0 HG23 VAL A 57 -0.522 -6.939 2.880 1.00 4.94 H new ATOM 463 N ILE A 58 -2.114 -10.305 0.213 1.00 2.02 N ATOM 464 CA ILE A 58 -2.955 -10.409 -0.961 1.00 1.38 C ATOM 465 C ILE A 58 -4.096 -11.386 -0.679 1.00 1.46 C ATOM 466 O ILE A 58 -3.971 -12.272 0.167 1.00 1.83 O ATOM 467 CB ILE A 58 -2.245 -10.784 -2.033 1.00 1.94 C ATOM 468 CG1 ILE A 58 -3.099 -10.880 -3.306 1.00 2.47 C ATOM 469 CG2 ILE A 58 -1.523 -12.108 -1.775 1.00 2.66 C ATOM 470 CD1 ILE A 58 -3.704 -9.564 -3.746 1.00 3.17 C ATOM 0 H ILE A 58 -2.144 -11.126 0.817 1.00 2.02 H new ATOM 0 HA ILE A 58 -3.376 -9.429 -1.186 1.00 1.38 H new ATOM 0 HB ILE A 58 -1.504 -10.003 -2.202 1.00 1.94 H new ATOM 0 HG12 ILE A 58 -2.483 -11.273 -4.115 1.00 2.47 H new ATOM 0 HG13 ILE A 58 -3.901 -11.598 -3.139 1.00 2.47 H new ATOM 0 HG21 ILE A 58 -0.954 -12.391 -2.661 1.00 2.66 H new ATOM 0 HG22 ILE A 58 -0.845 -11.994 -0.929 1.00 2.66 H new ATOM 0 HG23 ILE A 58 -2.255 -12.884 -1.551 1.00 2.66 H new ATOM 0 HD11 ILE A 58 -4.291 -9.718 -4.651 1.00 3.17 H new ATOM 0 HD12 ILE A 58 -4.349 -9.178 -2.956 1.00 3.17 H new ATOM 0 HD13 ILE A 58 -2.908 -8.847 -3.948 1.00 3.17 H new ATOM 482 N GLY A 59 -5.232 -11.156 -1.316 1.00 1.92 N ATOM 483 CA GLY A 59 -6.392 -11.982 -1.085 1.00 2.81 C ATOM 484 C GLY A 59 -7.073 -11.623 0.215 1.00 2.70 C ATOM 485 O GLY A 59 -7.859 -12.401 0.756 1.00 3.24 O ATOM 0 H GLY A 59 -5.370 -10.406 -1.993 1.00 1.92 H new ATOM 0 HA2 GLY A 59 -7.094 -11.865 -1.910 1.00 2.81 H new ATOM 0 HA3 GLY A 59 -6.096 -13.031 -1.065 1.00 2.81 H new ATOM 489 N LYS A 60 -6.759 -10.440 0.727 1.00 2.08 N ATOM 490 CA LYS A 60 -7.359 -9.967 1.956 1.00 2.08 C ATOM 491 C LYS A 60 -8.627 -9.195 1.651 1.00 2.02 C ATOM 492 O LYS A 60 -8.582 -8.011 1.334 1.00 1.74 O ATOM 493 CB LYS A 60 -6.365 -9.099 2.743 1.00 1.96 C ATOM 494 CG LYS A 60 -6.971 -8.360 3.937 1.00 2.22 C ATOM 495 CD LYS A 60 -7.688 -9.296 4.906 1.00 2.80 C ATOM 496 CE LYS A 60 -6.717 -10.167 5.695 1.00 3.43 C ATOM 497 NZ LYS A 60 -5.916 -9.382 6.675 1.00 3.85 N ATOM 0 H LYS A 60 -6.091 -9.794 0.306 1.00 2.08 H new ATOM 0 HA LYS A 60 -7.618 -10.826 2.575 1.00 2.08 H new ATOM 0 HB2 LYS A 60 -5.552 -9.732 3.099 1.00 1.96 H new ATOM 0 HB3 LYS A 60 -5.925 -8.368 2.065 1.00 1.96 H new ATOM 0 HG2 LYS A 60 -6.182 -7.828 4.469 1.00 2.22 H new ATOM 0 HG3 LYS A 60 -7.674 -7.609 3.576 1.00 2.22 H new ATOM 0 HD2 LYS A 60 -8.289 -8.707 5.599 1.00 2.80 H new ATOM 0 HD3 LYS A 60 -8.375 -9.934 4.350 1.00 2.80 H new ATOM 0 HE2 LYS A 60 -7.274 -10.941 6.223 1.00 3.43 H new ATOM 0 HE3 LYS A 60 -6.044 -10.674 5.003 1.00 3.43 H new ATOM 0 HZ1 LYS A 60 -5.634 -9.997 7.465 1.00 3.85 H new ATOM 0 HZ2 LYS A 60 -5.066 -9.007 6.207 1.00 3.85 H new ATOM 0 HZ3 LYS A 60 -6.488 -8.593 7.038 1.00 3.85 H new ATOM 511 N ASN A 61 -9.748 -9.891 1.700 1.00 2.50 N ATOM 512 CA ASN A 61 -11.044 -9.251 1.581 1.00 2.76 C ATOM 513 C ASN A 61 -11.948 -9.792 2.670 1.00 3.11 C ATOM 514 O ASN A 61 -12.533 -10.868 2.543 1.00 3.53 O ATOM 515 CB ASN A 61 -11.658 -9.473 0.197 1.00 3.24 C ATOM 516 CG ASN A 61 -12.944 -8.686 0.008 1.00 3.68 C ATOM 517 OD1 ASN A 61 -14.040 -9.199 0.230 1.00 4.05 O ATOM 518 ND2 ASN A 61 -12.818 -7.429 -0.394 1.00 4.18 N ATOM 0 H ASN A 61 -9.786 -10.903 1.822 1.00 2.50 H new ATOM 0 HA ASN A 61 -10.925 -8.174 1.699 1.00 2.76 H new ATOM 0 HB2 ASN A 61 -10.939 -9.181 -0.569 1.00 3.24 H new ATOM 0 HB3 ASN A 61 -11.860 -10.535 0.057 1.00 3.24 H new ATOM 0 HD21 ASN A 61 -13.648 -6.851 -0.530 1.00 4.18 H new ATOM 0 HD22 ASN A 61 -11.891 -7.040 -0.568 1.00 4.18 H new ATOM 525 N PHE A 62 -12.018 -9.050 3.753 1.00 3.09 N ATOM 526 CA PHE A 62 -12.666 -9.495 4.965 1.00 3.55 C ATOM 527 C PHE A 62 -12.878 -8.288 5.863 1.00 4.05 C ATOM 528 O PHE A 62 -11.976 -7.463 6.012 1.00 4.38 O ATOM 529 CB PHE A 62 -11.776 -10.540 5.650 1.00 4.05 C ATOM 530 CG PHE A 62 -12.407 -11.246 6.814 1.00 4.80 C ATOM 531 CD1 PHE A 62 -13.585 -11.956 6.650 1.00 5.37 C ATOM 532 CD2 PHE A 62 -11.836 -11.185 8.073 1.00 5.28 C ATOM 533 CE1 PHE A 62 -14.180 -12.594 7.719 1.00 6.27 C ATOM 534 CE2 PHE A 62 -12.426 -11.823 9.145 1.00 6.21 C ATOM 535 CZ PHE A 62 -13.552 -12.572 8.969 1.00 6.66 C ATOM 0 H PHE A 62 -11.623 -8.112 3.817 1.00 3.09 H new ATOM 0 HA PHE A 62 -13.632 -9.952 4.749 1.00 3.55 H new ATOM 0 HB2 PHE A 62 -11.480 -11.284 4.910 1.00 4.05 H new ATOM 0 HB3 PHE A 62 -10.864 -10.050 5.992 1.00 4.05 H new ATOM 0 HD1 PHE A 62 -14.043 -12.011 5.674 1.00 5.37 H new ATOM 0 HD2 PHE A 62 -10.919 -10.633 8.218 1.00 5.28 H new ATOM 0 HE1 PHE A 62 -15.122 -13.106 7.592 1.00 6.27 H new ATOM 0 HE2 PHE A 62 -11.993 -11.729 10.130 1.00 6.21 H new ATOM 0 HZ PHE A 62 -13.957 -13.145 9.790 1.00 6.66 H new ATOM 545 N PHE A 63 -14.055 -8.178 6.457 1.00 4.57 N ATOM 546 CA PHE A 63 -14.402 -7.000 7.248 1.00 5.42 C ATOM 547 C PHE A 63 -13.829 -7.092 8.657 1.00 5.92 C ATOM 548 O PHE A 63 -14.448 -6.649 9.627 1.00 6.42 O ATOM 549 CB PHE A 63 -15.919 -6.823 7.295 1.00 6.08 C ATOM 550 CG PHE A 63 -16.528 -6.614 5.938 1.00 6.58 C ATOM 551 CD1 PHE A 63 -16.552 -5.355 5.363 1.00 7.21 C ATOM 552 CD2 PHE A 63 -17.083 -7.675 5.243 1.00 6.73 C ATOM 553 CE1 PHE A 63 -17.118 -5.158 4.118 1.00 7.98 C ATOM 554 CE2 PHE A 63 -17.649 -7.486 3.996 1.00 7.51 C ATOM 555 CZ PHE A 63 -17.643 -6.230 3.422 1.00 8.13 C ATOM 0 H PHE A 63 -14.787 -8.886 6.409 1.00 4.57 H new ATOM 0 HA PHE A 63 -13.961 -6.127 6.767 1.00 5.42 H new ATOM 0 HB2 PHE A 63 -16.368 -7.702 7.757 1.00 6.08 H new ATOM 0 HB3 PHE A 63 -16.160 -5.971 7.931 1.00 6.08 H new ATOM 0 HD1 PHE A 63 -16.124 -4.517 5.893 1.00 7.21 H new ATOM 0 HD2 PHE A 63 -17.074 -8.662 5.680 1.00 6.73 H new ATOM 0 HE1 PHE A 63 -17.150 -4.167 3.689 1.00 7.98 H new ATOM 0 HE2 PHE A 63 -18.095 -8.319 3.472 1.00 7.51 H new ATOM 0 HZ PHE A 63 -18.048 -6.086 2.431 1.00 8.13 H new ATOM 565 N LYS A 64 -12.630 -7.648 8.750 1.00 6.06 N ATOM 566 CA LYS A 64 -11.926 -7.778 10.008 1.00 6.71 C ATOM 567 C LYS A 64 -10.483 -8.175 9.730 1.00 6.68 C ATOM 568 O LYS A 64 -10.146 -8.527 8.597 1.00 6.92 O ATOM 569 CB LYS A 64 -12.603 -8.821 10.907 1.00 7.46 C ATOM 570 CG LYS A 64 -12.525 -8.499 12.391 1.00 8.15 C ATOM 571 CD LYS A 64 -13.302 -7.235 12.719 1.00 8.91 C ATOM 572 CE LYS A 64 -13.248 -6.908 14.199 1.00 9.51 C ATOM 573 NZ LYS A 64 -13.950 -5.634 14.504 1.00 10.05 N ATOM 0 H LYS A 64 -12.120 -8.022 7.950 1.00 6.06 H new ATOM 0 HA LYS A 64 -11.949 -6.822 10.531 1.00 6.71 H new ATOM 0 HB2 LYS A 64 -13.651 -8.909 10.619 1.00 7.46 H new ATOM 0 HB3 LYS A 64 -12.141 -9.792 10.731 1.00 7.46 H new ATOM 0 HG2 LYS A 64 -12.922 -9.334 12.969 1.00 8.15 H new ATOM 0 HG3 LYS A 64 -11.483 -8.375 12.685 1.00 8.15 H new ATOM 0 HD2 LYS A 64 -12.896 -6.400 12.147 1.00 8.91 H new ATOM 0 HD3 LYS A 64 -14.341 -7.357 12.411 1.00 8.91 H new ATOM 0 HE2 LYS A 64 -13.702 -7.719 14.768 1.00 9.51 H new ATOM 0 HE3 LYS A 64 -12.208 -6.837 14.519 1.00 9.51 H new ATOM 0 HZ1 LYS A 64 -13.893 -5.442 15.525 1.00 10.05 H new ATOM 0 HZ2 LYS A 64 -13.501 -4.856 13.980 1.00 10.05 H new ATOM 0 HZ3 LYS A 64 -14.948 -5.711 14.222 1.00 10.05 H new ATOM 587 N ASP A 65 -9.646 -8.113 10.761 1.00 6.69 N ATOM 588 CA ASP A 65 -8.225 -8.442 10.646 1.00 6.98 C ATOM 589 C ASP A 65 -7.522 -7.497 9.672 1.00 7.54 C ATOM 590 O ASP A 65 -7.170 -7.865 8.547 1.00 7.94 O ATOM 591 CB ASP A 65 -8.016 -9.905 10.235 1.00 7.04 C ATOM 592 CG ASP A 65 -6.556 -10.317 10.269 1.00 7.56 C ATOM 593 OD1 ASP A 65 -5.980 -10.401 11.374 1.00 7.91 O ATOM 594 OD2 ASP A 65 -5.978 -10.559 9.187 1.00 7.87 O ATOM 0 H ASP A 65 -9.931 -7.834 11.700 1.00 6.69 H new ATOM 0 HA ASP A 65 -7.778 -8.310 11.631 1.00 6.98 H new ATOM 0 HB2 ASP A 65 -8.588 -10.551 10.901 1.00 7.04 H new ATOM 0 HB3 ASP A 65 -8.409 -10.056 9.230 1.00 7.04 H new ATOM 599 N VAL A 66 -7.356 -6.261 10.112 1.00 7.81 N ATOM 600 CA VAL A 66 -6.643 -5.248 9.344 1.00 8.51 C ATOM 601 C VAL A 66 -5.362 -4.859 10.074 1.00 8.76 C ATOM 602 O VAL A 66 -4.298 -4.718 9.468 1.00 9.29 O ATOM 603 CB VAL A 66 -7.393 -4.167 9.109 1.00 8.83 C ATOM 604 CG1 VAL A 66 -8.458 -4.484 8.064 1.00 9.35 C ATOM 605 CG2 VAL A 66 -8.045 -3.611 10.373 1.00 8.99 C ATOM 0 H VAL A 66 -7.710 -5.930 11.009 1.00 7.81 H new ATOM 0 HA VAL A 66 -6.397 -5.679 8.374 1.00 8.51 H new ATOM 0 HB VAL A 66 -6.724 -3.393 8.731 1.00 8.83 H new ATOM 0 HG11 VAL A 66 -9.063 -3.596 7.880 1.00 9.35 H new ATOM 0 HG12 VAL A 66 -7.977 -4.793 7.136 1.00 9.35 H new ATOM 0 HG13 VAL A 66 -9.096 -5.289 8.428 1.00 9.35 H new ATOM 0 HG21 VAL A 66 -8.641 -2.734 10.119 1.00 8.99 H new ATOM 0 HG22 VAL A 66 -8.688 -4.372 10.815 1.00 8.99 H new ATOM 0 HG23 VAL A 66 -7.272 -3.330 11.088 1.00 8.99 H new ATOM 615 N ALA A 67 -5.457 -4.763 11.393 1.00 8.55 N ATOM 616 CA ALA A 67 -4.300 -4.501 12.228 1.00 8.92 C ATOM 617 C ALA A 67 -3.990 -5.730 13.070 1.00 9.09 C ATOM 618 O ALA A 67 -4.807 -6.138 13.898 1.00 9.14 O ATOM 619 CB ALA A 67 -4.542 -3.292 13.118 1.00 9.16 C ATOM 0 H ALA A 67 -6.332 -4.864 11.908 1.00 8.55 H new ATOM 0 HA ALA A 67 -3.445 -4.282 11.589 1.00 8.92 H new ATOM 0 HB1 ALA A 67 -3.662 -3.113 13.736 1.00 9.16 H new ATOM 0 HB2 ALA A 67 -4.734 -2.416 12.498 1.00 9.16 H new ATOM 0 HB3 ALA A 67 -5.404 -3.479 13.759 1.00 9.16 H new ATOM 625 N PRO A 68 -2.818 -6.350 12.853 1.00 9.42 N ATOM 626 CA PRO A 68 -2.428 -7.583 13.549 1.00 9.81 C ATOM 627 C PRO A 68 -2.506 -7.451 15.069 1.00 10.00 C ATOM 628 O PRO A 68 -3.097 -8.296 15.743 1.00 10.26 O ATOM 629 CB PRO A 68 -0.984 -7.808 13.101 1.00 10.35 C ATOM 630 CG PRO A 68 -0.879 -7.100 11.794 1.00 10.29 C ATOM 631 CD PRO A 68 -1.780 -5.903 11.903 1.00 9.70 C ATOM 0 HA PRO A 68 -3.095 -8.410 13.307 1.00 9.81 H new ATOM 0 HB2 PRO A 68 -0.277 -7.406 13.827 1.00 10.35 H new ATOM 0 HB3 PRO A 68 -0.763 -8.870 12.995 1.00 10.35 H new ATOM 0 HG2 PRO A 68 0.149 -6.798 11.594 1.00 10.29 H new ATOM 0 HG3 PRO A 68 -1.187 -7.747 10.973 1.00 10.29 H new ATOM 0 HD2 PRO A 68 -1.245 -5.028 12.273 1.00 9.70 H new ATOM 0 HD3 PRO A 68 -2.207 -5.631 10.938 1.00 9.70 H new ATOM 639 N CYS A 69 -1.909 -6.387 15.594 1.00 10.09 N ATOM 640 CA CYS A 69 -1.938 -6.106 17.024 1.00 10.43 C ATOM 641 C CYS A 69 -1.850 -4.603 17.271 1.00 10.35 C ATOM 642 O CYS A 69 -2.140 -3.807 16.376 1.00 10.58 O ATOM 643 CB CYS A 69 -0.800 -6.836 17.743 1.00 10.98 C ATOM 644 SG CYS A 69 -1.143 -8.589 18.109 1.00 11.49 S ATOM 0 H CYS A 69 -1.394 -5.699 15.044 1.00 10.09 H new ATOM 0 HA CYS A 69 -2.883 -6.470 17.427 1.00 10.43 H new ATOM 0 HB2 CYS A 69 0.099 -6.775 17.130 1.00 10.98 H new ATOM 0 HB3 CYS A 69 -0.585 -6.318 18.677 1.00 10.98 H new ATOM 649 N THR A 70 -1.456 -4.222 18.481 1.00 10.23 N ATOM 650 CA THR A 70 -1.412 -2.823 18.878 1.00 10.31 C ATOM 651 C THR A 70 -0.388 -2.029 18.065 1.00 10.28 C ATOM 652 O THR A 70 0.797 -2.369 18.052 1.00 10.36 O ATOM 653 CB THR A 70 -1.108 -2.717 20.158 1.00 10.47 C ATOM 654 OG1 THR A 70 -1.858 -3.678 20.919 1.00 10.95 O ATOM 655 CG2 THR A 70 -1.390 -1.320 20.684 1.00 10.51 C ATOM 0 H THR A 70 -1.160 -4.872 19.210 1.00 10.23 H new ATOM 0 HA THR A 70 -2.403 -2.410 18.689 1.00 10.31 H new ATOM 0 HB THR A 70 -0.041 -2.911 20.265 1.00 10.47 H new ATOM 0 HG1 THR A 70 -1.627 -3.596 21.868 1.00 10.95 H new ATOM 0 HG21 THR A 70 -1.128 -1.269 21.741 1.00 10.51 H new ATOM 0 HG22 THR A 70 -0.796 -0.595 20.128 1.00 10.51 H new ATOM 0 HG23 THR A 70 -2.449 -1.092 20.561 1.00 10.51 H new ATOM 663 N ASP A 71 -0.875 -0.993 17.376 1.00 10.38 N ATOM 664 CA ASP A 71 -0.028 -0.030 16.658 1.00 10.55 C ATOM 665 C ASP A 71 0.705 -0.656 15.475 1.00 10.46 C ATOM 666 O ASP A 71 1.656 -1.419 15.640 1.00 10.82 O ATOM 667 CB ASP A 71 0.975 0.628 17.611 1.00 11.00 C ATOM 668 CG ASP A 71 1.979 1.506 16.890 1.00 11.33 C ATOM 669 OD1 ASP A 71 1.566 2.503 16.260 1.00 11.56 O ATOM 670 OD2 ASP A 71 3.192 1.216 16.971 1.00 11.54 O ATOM 0 H ASP A 71 -1.873 -0.796 17.299 1.00 10.38 H new ATOM 0 HA ASP A 71 -0.697 0.731 16.257 1.00 10.55 H new ATOM 0 HB2 ASP A 71 0.434 1.228 18.343 1.00 11.00 H new ATOM 0 HB3 ASP A 71 1.507 -0.147 18.163 1.00 11.00 H new ATOM 675 N SER A 72 0.262 -0.323 14.276 1.00 10.16 N ATOM 676 CA SER A 72 0.913 -0.803 13.072 1.00 10.18 C ATOM 677 C SER A 72 0.930 0.301 12.015 1.00 9.81 C ATOM 678 O SER A 72 -0.091 0.589 11.385 1.00 9.67 O ATOM 679 CB SER A 72 0.195 -2.047 12.541 1.00 10.51 C ATOM 680 OG SER A 72 0.929 -2.666 11.494 1.00 10.96 O ATOM 0 H SER A 72 -0.546 0.278 14.111 1.00 10.16 H new ATOM 0 HA SER A 72 1.941 -1.076 13.308 1.00 10.18 H new ATOM 0 HB2 SER A 72 0.049 -2.758 13.354 1.00 10.51 H new ATOM 0 HB3 SER A 72 -0.795 -1.770 12.178 1.00 10.51 H new ATOM 0 HG SER A 72 0.445 -3.457 11.179 1.00 10.96 H new ATOM 686 N PRO A 73 2.082 0.968 11.845 1.00 9.90 N ATOM 687 CA PRO A 73 2.265 2.017 10.837 1.00 9.80 C ATOM 688 C PRO A 73 2.391 1.442 9.427 1.00 9.46 C ATOM 689 O PRO A 73 3.354 1.718 8.715 1.00 9.61 O ATOM 690 CB PRO A 73 3.581 2.702 11.251 1.00 10.31 C ATOM 691 CG PRO A 73 3.940 2.126 12.582 1.00 10.68 C ATOM 692 CD PRO A 73 3.299 0.772 12.636 1.00 10.39 C ATOM 0 HA PRO A 73 1.413 2.696 10.802 1.00 9.80 H new ATOM 0 HB2 PRO A 73 4.367 2.514 10.519 1.00 10.31 H new ATOM 0 HB3 PRO A 73 3.456 3.783 11.314 1.00 10.31 H new ATOM 0 HG2 PRO A 73 5.021 2.050 12.695 1.00 10.68 H new ATOM 0 HG3 PRO A 73 3.579 2.761 13.391 1.00 10.68 H new ATOM 0 HD2 PRO A 73 3.941 0.001 12.209 1.00 10.39 H new ATOM 0 HD3 PRO A 73 3.074 0.469 13.659 1.00 10.39 H new ATOM 700 N GLU A 74 1.410 0.642 9.030 1.00 9.22 N ATOM 701 CA GLU A 74 1.399 0.038 7.704 1.00 9.06 C ATOM 702 C GLU A 74 0.750 0.996 6.703 1.00 8.23 C ATOM 703 O GLU A 74 0.739 0.756 5.496 1.00 8.21 O ATOM 704 CB GLU A 74 0.645 -1.298 7.749 1.00 9.74 C ATOM 705 CG GLU A 74 0.833 -2.165 6.513 1.00 10.53 C ATOM 706 CD GLU A 74 2.281 -2.551 6.286 1.00 11.29 C ATOM 707 OE1 GLU A 74 2.827 -2.231 5.208 1.00 11.57 O ATOM 708 OE2 GLU A 74 2.884 -3.174 7.181 1.00 11.76 O ATOM 0 H GLU A 74 0.608 0.395 9.610 1.00 9.22 H new ATOM 0 HA GLU A 74 2.423 -0.154 7.383 1.00 9.06 H new ATOM 0 HB2 GLU A 74 0.974 -1.858 8.625 1.00 9.74 H new ATOM 0 HB3 GLU A 74 -0.418 -1.097 7.879 1.00 9.74 H new ATOM 0 HG2 GLU A 74 0.231 -3.068 6.613 1.00 10.53 H new ATOM 0 HG3 GLU A 74 0.462 -1.630 5.639 1.00 10.53 H new ATOM 715 N PHE A 75 0.216 2.091 7.224 1.00 7.77 N ATOM 716 CA PHE A 75 -0.412 3.106 6.397 1.00 7.11 C ATOM 717 C PHE A 75 0.654 4.020 5.804 1.00 6.04 C ATOM 718 O PHE A 75 1.176 4.900 6.489 1.00 6.09 O ATOM 719 CB PHE A 75 -1.410 3.919 7.222 1.00 7.64 C ATOM 720 CG PHE A 75 -2.361 3.070 8.022 1.00 8.33 C ATOM 721 CD1 PHE A 75 -3.396 2.388 7.399 1.00 8.82 C ATOM 722 CD2 PHE A 75 -2.220 2.957 9.396 1.00 8.70 C ATOM 723 CE1 PHE A 75 -4.271 1.611 8.133 1.00 9.64 C ATOM 724 CE2 PHE A 75 -3.093 2.181 10.134 1.00 9.54 C ATOM 725 CZ PHE A 75 -4.120 1.507 9.502 1.00 10.00 C ATOM 0 H PHE A 75 0.206 2.298 8.223 1.00 7.77 H new ATOM 0 HA PHE A 75 -0.952 2.619 5.585 1.00 7.11 H new ATOM 0 HB2 PHE A 75 -0.861 4.573 7.900 1.00 7.64 H new ATOM 0 HB3 PHE A 75 -1.983 4.561 6.554 1.00 7.64 H new ATOM 0 HD1 PHE A 75 -3.519 2.465 6.329 1.00 8.82 H new ATOM 0 HD2 PHE A 75 -1.419 3.481 9.895 1.00 8.70 H new ATOM 0 HE1 PHE A 75 -5.073 1.085 7.637 1.00 9.64 H new ATOM 0 HE2 PHE A 75 -2.973 2.101 11.204 1.00 9.54 H new ATOM 0 HZ PHE A 75 -4.803 0.900 10.077 1.00 10.00 H new ATOM 735 N TYR A 76 0.975 3.792 4.539 1.00 5.40 N ATOM 736 CA TYR A 76 2.067 4.497 3.872 1.00 4.59 C ATOM 737 C TYR A 76 1.820 6.005 3.800 1.00 3.79 C ATOM 738 O TYR A 76 2.489 6.784 4.479 1.00 3.92 O ATOM 739 CB TYR A 76 2.276 3.927 2.469 1.00 4.75 C ATOM 740 CG TYR A 76 2.471 2.428 2.452 1.00 5.22 C ATOM 741 CD1 TYR A 76 3.682 1.859 2.826 1.00 5.71 C ATOM 742 CD2 TYR A 76 1.438 1.578 2.072 1.00 5.53 C ATOM 743 CE1 TYR A 76 3.859 0.489 2.822 1.00 6.42 C ATOM 744 CE2 TYR A 76 1.607 0.208 2.065 1.00 6.25 C ATOM 745 CZ TYR A 76 2.817 -0.332 2.441 1.00 6.65 C ATOM 746 OH TYR A 76 2.987 -1.697 2.441 1.00 7.53 O ATOM 0 H TYR A 76 0.491 3.118 3.946 1.00 5.40 H new ATOM 0 HA TYR A 76 2.969 4.345 4.465 1.00 4.59 H new ATOM 0 HB2 TYR A 76 1.415 4.181 1.850 1.00 4.75 H new ATOM 0 HB3 TYR A 76 3.146 4.404 2.017 1.00 4.75 H new ATOM 0 HD1 TYR A 76 4.499 2.499 3.125 1.00 5.71 H new ATOM 0 HD2 TYR A 76 0.487 1.997 1.777 1.00 5.53 H new ATOM 0 HE1 TYR A 76 4.807 0.063 3.115 1.00 6.42 H new ATOM 0 HE2 TYR A 76 0.794 -0.437 1.766 1.00 6.25 H new ATOM 0 HH TYR A 76 2.970 -2.029 3.363 1.00 7.53 H new ATOM 756 N GLY A 77 0.849 6.416 2.994 1.00 3.20 N ATOM 757 CA GLY A 77 0.570 7.829 2.837 1.00 2.71 C ATOM 758 C GLY A 77 -0.464 8.320 3.825 1.00 1.94 C ATOM 759 O GLY A 77 -1.321 9.133 3.476 1.00 2.44 O ATOM 0 H GLY A 77 0.251 5.796 2.447 1.00 3.20 H new ATOM 0 HA2 GLY A 77 1.492 8.396 2.966 1.00 2.71 H new ATOM 0 HA3 GLY A 77 0.219 8.018 1.822 1.00 2.71 H new ATOM 763 N LYS A 78 -0.374 7.820 5.058 1.00 1.39 N ATOM 764 CA LYS A 78 -1.335 8.141 6.111 1.00 1.29 C ATOM 765 C LYS A 78 -2.751 7.849 5.617 1.00 1.03 C ATOM 766 O LYS A 78 -3.554 8.752 5.386 1.00 1.02 O ATOM 767 CB LYS A 78 -1.171 9.599 6.555 1.00 2.10 C ATOM 768 CG LYS A 78 -1.842 9.926 7.879 1.00 2.61 C ATOM 769 CD LYS A 78 -1.165 11.107 8.559 1.00 3.18 C ATOM 770 CE LYS A 78 0.281 10.785 8.914 1.00 3.78 C ATOM 771 NZ LYS A 78 0.975 11.934 9.554 1.00 4.14 N ATOM 0 H LYS A 78 0.366 7.183 5.353 1.00 1.39 H new ATOM 0 HA LYS A 78 -1.147 7.516 6.984 1.00 1.29 H new ATOM 0 HB2 LYS A 78 -0.108 9.826 6.634 1.00 2.10 H new ATOM 0 HB3 LYS A 78 -1.580 10.251 5.783 1.00 2.10 H new ATOM 0 HG2 LYS A 78 -2.894 10.154 7.710 1.00 2.61 H new ATOM 0 HG3 LYS A 78 -1.805 9.055 8.534 1.00 2.61 H new ATOM 0 HD2 LYS A 78 -1.196 11.975 7.901 1.00 3.18 H new ATOM 0 HD3 LYS A 78 -1.713 11.373 9.463 1.00 3.18 H new ATOM 0 HE2 LYS A 78 0.305 9.928 9.587 1.00 3.78 H new ATOM 0 HE3 LYS A 78 0.819 10.496 8.011 1.00 3.78 H new ATOM 0 HZ1 LYS A 78 1.955 11.667 9.777 1.00 4.14 H new ATOM 0 HZ2 LYS A 78 0.977 12.745 8.903 1.00 4.14 H new ATOM 0 HZ3 LYS A 78 0.479 12.195 10.430 1.00 4.14 H new ATOM 785 N PHE A 79 -3.035 6.559 5.475 1.00 0.95 N ATOM 786 CA PHE A 79 -4.216 6.071 4.763 1.00 0.77 C ATOM 787 C PHE A 79 -5.510 6.744 5.218 1.00 0.70 C ATOM 788 O PHE A 79 -6.390 7.025 4.381 1.00 0.64 O ATOM 789 CB PHE A 79 -4.327 4.554 4.935 1.00 0.88 C ATOM 790 CG PHE A 79 -5.420 3.926 4.117 1.00 0.79 C ATOM 791 CD1 PHE A 79 -6.620 3.568 4.708 1.00 0.86 C ATOM 792 CD2 PHE A 79 -5.247 3.695 2.760 1.00 0.78 C ATOM 793 CE1 PHE A 79 -7.626 2.986 3.965 1.00 0.85 C ATOM 794 CE2 PHE A 79 -6.251 3.114 2.011 1.00 0.84 C ATOM 795 CZ PHE A 79 -7.438 2.774 2.596 1.00 0.82 C ATOM 0 H PHE A 79 -2.449 5.815 5.853 1.00 0.95 H new ATOM 0 HA PHE A 79 -4.085 6.325 3.711 1.00 0.77 H new ATOM 0 HB2 PHE A 79 -3.375 4.097 4.664 1.00 0.88 H new ATOM 0 HB3 PHE A 79 -4.500 4.329 5.988 1.00 0.88 H new ATOM 0 HD1 PHE A 79 -6.770 3.746 5.763 1.00 0.86 H new ATOM 0 HD2 PHE A 79 -4.318 3.972 2.285 1.00 0.78 H new ATOM 0 HE1 PHE A 79 -8.553 2.696 4.438 1.00 0.85 H new ATOM 0 HE2 PHE A 79 -6.097 2.928 0.958 1.00 0.84 H new ATOM 0 HZ PHE A 79 -8.230 2.342 2.002 1.00 0.82 H new ATOM 805 N LYS A 80 -5.609 7.040 6.522 1.00 0.82 N ATOM 806 CA LYS A 80 -6.858 7.545 7.085 1.00 0.89 C ATOM 807 C LYS A 80 -7.102 8.984 6.642 1.00 0.81 C ATOM 808 O LYS A 80 -8.243 9.441 6.563 1.00 0.87 O ATOM 809 CB LYS A 80 -6.852 7.441 8.613 1.00 1.12 C ATOM 810 CG LYS A 80 -8.200 7.752 9.249 1.00 1.66 C ATOM 811 CD LYS A 80 -8.194 7.503 10.750 1.00 2.17 C ATOM 812 CE LYS A 80 -7.993 6.031 11.082 1.00 2.87 C ATOM 813 NZ LYS A 80 -8.056 5.781 12.548 1.00 3.48 N ATOM 0 H LYS A 80 -4.848 6.939 7.194 1.00 0.82 H new ATOM 0 HA LYS A 80 -7.674 6.927 6.710 1.00 0.89 H new ATOM 0 HB2 LYS A 80 -6.548 6.434 8.899 1.00 1.12 H new ATOM 0 HB3 LYS A 80 -6.104 8.126 9.013 1.00 1.12 H new ATOM 0 HG2 LYS A 80 -8.461 8.793 9.055 1.00 1.66 H new ATOM 0 HG3 LYS A 80 -8.971 7.138 8.783 1.00 1.66 H new ATOM 0 HD2 LYS A 80 -7.401 8.091 11.212 1.00 2.17 H new ATOM 0 HD3 LYS A 80 -9.136 7.846 11.178 1.00 2.17 H new ATOM 0 HE2 LYS A 80 -8.756 5.437 10.579 1.00 2.87 H new ATOM 0 HE3 LYS A 80 -7.028 5.700 10.698 1.00 2.87 H new ATOM 0 HZ1 LYS A 80 -7.915 4.768 12.734 1.00 3.48 H new ATOM 0 HZ2 LYS A 80 -7.311 6.328 13.026 1.00 3.48 H new ATOM 0 HZ3 LYS A 80 -8.986 6.073 12.910 1.00 3.48 H new ATOM 827 N GLU A 81 -6.027 9.681 6.316 1.00 0.78 N ATOM 828 CA GLU A 81 -6.124 11.053 5.856 1.00 0.78 C ATOM 829 C GLU A 81 -6.461 11.059 4.377 1.00 0.62 C ATOM 830 O GLU A 81 -7.157 11.942 3.885 1.00 0.64 O ATOM 831 CB GLU A 81 -4.809 11.791 6.115 1.00 0.96 C ATOM 832 CG GLU A 81 -4.871 13.281 5.822 1.00 1.53 C ATOM 833 CD GLU A 81 -5.957 13.979 6.611 1.00 2.31 C ATOM 834 OE1 GLU A 81 -6.747 14.729 6.004 1.00 3.07 O ATOM 835 OE2 GLU A 81 -6.029 13.773 7.839 1.00 2.63 O ATOM 0 H GLU A 81 -5.075 9.317 6.362 1.00 0.78 H new ATOM 0 HA GLU A 81 -6.913 11.568 6.404 1.00 0.78 H new ATOM 0 HB2 GLU A 81 -4.522 11.647 7.157 1.00 0.96 H new ATOM 0 HB3 GLU A 81 -4.026 11.343 5.504 1.00 0.96 H new ATOM 0 HG2 GLU A 81 -3.908 13.735 6.055 1.00 1.53 H new ATOM 0 HG3 GLU A 81 -5.045 13.432 4.757 1.00 1.53 H new ATOM 842 N GLY A 82 -5.984 10.038 3.681 1.00 0.55 N ATOM 843 CA GLY A 82 -6.259 9.891 2.285 1.00 0.47 C ATOM 844 C GLY A 82 -7.732 9.674 2.024 1.00 0.46 C ATOM 845 O GLY A 82 -8.306 10.232 1.086 1.00 0.49 O ATOM 0 H GLY A 82 -5.401 9.300 4.077 1.00 0.55 H new ATOM 0 HA2 GLY A 82 -5.922 10.780 1.752 1.00 0.47 H new ATOM 0 HA3 GLY A 82 -5.692 9.049 1.889 1.00 0.47 H new ATOM 849 N VAL A 83 -8.334 8.860 2.874 1.00 0.51 N ATOM 850 CA VAL A 83 -9.754 8.553 2.791 1.00 0.61 C ATOM 851 C VAL A 83 -10.583 9.787 3.121 1.00 0.70 C ATOM 852 O VAL A 83 -11.494 10.162 2.379 1.00 0.79 O ATOM 853 CB VAL A 83 -10.064 7.592 3.645 1.00 0.70 C ATOM 854 CG1 VAL A 83 -11.549 7.246 3.567 1.00 0.85 C ATOM 855 CG2 VAL A 83 -9.219 6.352 3.410 1.00 0.69 C ATOM 0 H VAL A 83 -7.853 8.392 3.642 1.00 0.51 H new ATOM 0 HA VAL A 83 -9.972 8.227 1.774 1.00 0.61 H new ATOM 0 HB VAL A 83 -9.850 7.964 4.647 1.00 0.70 H new ATOM 0 HG11 VAL A 83 -11.776 6.453 4.280 1.00 0.85 H new ATOM 0 HG12 VAL A 83 -12.141 8.129 3.806 1.00 0.85 H new ATOM 0 HG13 VAL A 83 -11.791 6.908 2.559 1.00 0.85 H new ATOM 0 HG21 VAL A 83 -9.498 5.580 4.128 1.00 0.69 H new ATOM 0 HG22 VAL A 83 -9.387 5.984 2.398 1.00 0.69 H new ATOM 0 HG23 VAL A 83 -8.165 6.601 3.536 1.00 0.69 H new ATOM 865 N ALA A 84 -10.214 10.452 4.205 1.00 0.76 N ATOM 866 CA ALA A 84 -11.009 11.544 4.733 1.00 0.94 C ATOM 867 C ALA A 84 -10.869 12.778 3.870 1.00 0.88 C ATOM 868 O ALA A 84 -11.807 13.565 3.737 1.00 1.07 O ATOM 869 CB ALA A 84 -10.619 11.839 6.171 1.00 1.12 C ATOM 0 H ALA A 84 -9.366 10.252 4.736 1.00 0.76 H new ATOM 0 HA ALA A 84 -12.057 11.244 4.719 1.00 0.94 H new ATOM 0 HB1 ALA A 84 -11.225 12.661 6.551 1.00 1.12 H new ATOM 0 HB2 ALA A 84 -10.786 10.952 6.782 1.00 1.12 H new ATOM 0 HB3 ALA A 84 -9.566 12.116 6.213 1.00 1.12 H new ATOM 875 N SER A 85 -9.702 12.942 3.278 1.00 0.76 N ATOM 876 CA SER A 85 -9.504 14.031 2.330 1.00 0.84 C ATOM 877 C SER A 85 -10.354 13.775 1.091 1.00 0.94 C ATOM 878 O SER A 85 -10.856 14.709 0.463 1.00 1.22 O ATOM 879 CB SER A 85 -8.029 14.188 1.955 1.00 1.19 C ATOM 880 OG SER A 85 -7.497 12.987 1.424 1.00 1.88 O ATOM 0 H SER A 85 -8.887 12.348 3.430 1.00 0.76 H new ATOM 0 HA SER A 85 -9.815 14.965 2.798 1.00 0.84 H new ATOM 0 HB2 SER A 85 -7.922 14.989 1.224 1.00 1.19 H new ATOM 0 HB3 SER A 85 -7.458 14.482 2.836 1.00 1.19 H new ATOM 0 HG SER A 85 -7.209 12.404 2.157 1.00 1.88 H new ATOM 886 N GLY A 86 -10.521 12.497 0.762 1.00 0.96 N ATOM 887 CA GLY A 86 -11.421 12.111 -0.303 1.00 1.46 C ATOM 888 C GLY A 86 -10.703 11.790 -1.587 1.00 1.21 C ATOM 889 O GLY A 86 -11.330 11.650 -2.639 1.00 1.66 O ATOM 0 H GLY A 86 -10.044 11.720 1.219 1.00 0.96 H new ATOM 0 HA2 GLY A 86 -11.998 11.242 0.012 1.00 1.46 H new ATOM 0 HA3 GLY A 86 -12.132 12.918 -0.482 1.00 1.46 H new ATOM 893 N ASN A 87 -9.390 11.645 -1.499 1.00 0.66 N ATOM 894 CA ASN A 87 -8.566 11.422 -2.677 1.00 0.67 C ATOM 895 C ASN A 87 -7.124 11.176 -2.270 1.00 0.52 C ATOM 896 O ASN A 87 -6.252 12.024 -2.436 1.00 0.72 O ATOM 897 CB ASN A 87 -8.677 12.582 -3.694 1.00 0.95 C ATOM 898 CG ASN A 87 -8.337 13.953 -3.125 1.00 1.40 C ATOM 899 OD1 ASN A 87 -7.190 14.397 -3.183 1.00 2.08 O ATOM 900 ND2 ASN A 87 -9.329 14.648 -2.589 1.00 1.72 N ATOM 0 H ASN A 87 -8.871 11.678 -0.622 1.00 0.66 H new ATOM 0 HA ASN A 87 -8.940 10.531 -3.182 1.00 0.67 H new ATOM 0 HB2 ASN A 87 -8.014 12.377 -4.535 1.00 0.95 H new ATOM 0 HB3 ASN A 87 -9.693 12.607 -4.088 1.00 0.95 H new ATOM 0 HD21 ASN A 87 -9.153 15.578 -2.210 1.00 1.72 H new ATOM 0 HD22 ASN A 87 -10.269 14.253 -2.556 1.00 1.72 H new ATOM 907 N LEU A 88 -6.906 10.022 -1.661 1.00 0.40 N ATOM 908 CA LEU A 88 -5.570 9.572 -1.310 1.00 0.32 C ATOM 909 C LEU A 88 -4.686 9.467 -2.537 1.00 0.30 C ATOM 910 O LEU A 88 -4.606 8.420 -3.163 1.00 0.34 O ATOM 911 CB LEU A 88 -5.630 8.215 -0.625 1.00 0.37 C ATOM 912 CG LEU A 88 -4.605 8.040 0.466 1.00 0.42 C ATOM 913 CD1 LEU A 88 -4.895 6.783 1.270 1.00 0.56 C ATOM 914 CD2 LEU A 88 -3.188 8.011 -0.088 1.00 0.48 C ATOM 0 H LEU A 88 -7.647 9.373 -1.397 1.00 0.40 H new ATOM 0 HA LEU A 88 -5.144 10.310 -0.630 1.00 0.32 H new ATOM 0 HB2 LEU A 88 -6.625 8.075 -0.202 1.00 0.37 H new ATOM 0 HB3 LEU A 88 -5.489 7.434 -1.372 1.00 0.37 H new ATOM 0 HG LEU A 88 -4.676 8.904 1.127 1.00 0.42 H new ATOM 0 HD11 LEU A 88 -4.146 6.671 2.054 1.00 0.56 H new ATOM 0 HD12 LEU A 88 -5.884 6.860 1.722 1.00 0.56 H new ATOM 0 HD13 LEU A 88 -4.864 5.915 0.612 1.00 0.56 H new ATOM 0 HD21 LEU A 88 -2.480 7.883 0.731 1.00 0.48 H new ATOM 0 HD22 LEU A 88 -3.088 7.181 -0.787 1.00 0.48 H new ATOM 0 HD23 LEU A 88 -2.980 8.948 -0.605 1.00 0.48 H new ATOM 926 N ASN A 89 -4.043 10.559 -2.876 1.00 0.32 N ATOM 927 CA ASN A 89 -3.149 10.589 -4.012 1.00 0.34 C ATOM 928 C ASN A 89 -1.954 11.477 -3.697 1.00 0.40 C ATOM 929 O ASN A 89 -2.064 12.704 -3.710 1.00 0.50 O ATOM 930 CB ASN A 89 -3.906 11.077 -5.258 1.00 0.41 C ATOM 931 CG ASN A 89 -3.001 11.322 -6.454 1.00 1.12 C ATOM 932 OD1 ASN A 89 -2.740 10.416 -7.241 1.00 2.01 O ATOM 933 ND2 ASN A 89 -2.528 12.552 -6.609 1.00 1.62 N ATOM 0 H ASN A 89 -4.123 11.446 -2.378 1.00 0.32 H new ATOM 0 HA ASN A 89 -2.778 9.585 -4.220 1.00 0.34 H new ATOM 0 HB2 ASN A 89 -4.661 10.339 -5.528 1.00 0.41 H new ATOM 0 HB3 ASN A 89 -4.434 11.999 -5.016 1.00 0.41 H new ATOM 0 HD21 ASN A 89 -1.926 12.771 -7.403 1.00 1.62 H new ATOM 0 HD22 ASN A 89 -2.767 13.279 -5.934 1.00 1.62 H new ATOM 940 N THR A 90 -0.826 10.859 -3.366 1.00 0.39 N ATOM 941 CA THR A 90 0.369 11.596 -3.047 1.00 0.50 C ATOM 942 C THR A 90 1.597 10.778 -3.406 1.00 0.55 C ATOM 943 O THR A 90 1.523 9.552 -3.552 1.00 0.69 O ATOM 944 CB THR A 90 0.397 11.944 -1.762 1.00 0.68 C ATOM 945 OG1 THR A 90 1.523 12.794 -1.493 1.00 1.67 O ATOM 946 CG2 THR A 90 0.436 10.731 -0.836 1.00 1.22 C ATOM 0 H THR A 90 -0.724 9.845 -3.314 1.00 0.39 H new ATOM 0 HA THR A 90 0.369 12.513 -3.636 1.00 0.50 H new ATOM 0 HB THR A 90 -0.526 12.487 -1.562 1.00 0.68 H new ATOM 0 HG1 THR A 90 1.527 13.041 -0.545 1.00 1.67 H new ATOM 0 HG21 THR A 90 0.458 11.066 0.201 1.00 1.22 H new ATOM 0 HG22 THR A 90 -0.450 10.119 -1.001 1.00 1.22 H new ATOM 0 HG23 THR A 90 1.328 10.141 -1.046 1.00 1.22 H new ATOM 954 N MET A 91 2.694 11.470 -3.637 1.00 0.72 N ATOM 955 CA MET A 91 3.964 10.824 -3.887 1.00 1.00 C ATOM 956 C MET A 91 5.055 11.497 -3.081 1.00 0.88 C ATOM 957 O MET A 91 5.344 12.679 -3.262 1.00 0.92 O ATOM 958 CB MET A 91 4.317 10.837 -5.375 1.00 1.53 C ATOM 959 CG MET A 91 4.191 12.204 -6.029 1.00 2.33 C ATOM 960 SD MET A 91 4.589 12.176 -7.786 1.00 3.24 S ATOM 961 CE MET A 91 4.311 13.895 -8.209 1.00 3.94 C ATOM 0 H MET A 91 2.730 12.489 -3.657 1.00 0.72 H new ATOM 0 HA MET A 91 3.879 9.783 -3.577 1.00 1.00 H new ATOM 0 HB2 MET A 91 5.339 10.479 -5.498 1.00 1.53 H new ATOM 0 HB3 MET A 91 3.668 10.134 -5.898 1.00 1.53 H new ATOM 0 HG2 MET A 91 3.174 12.572 -5.897 1.00 2.33 H new ATOM 0 HG3 MET A 91 4.853 12.907 -5.522 1.00 2.33 H new ATOM 0 HE1 MET A 91 4.515 14.046 -9.269 1.00 3.94 H new ATOM 0 HE2 MET A 91 3.275 14.159 -7.997 1.00 3.94 H new ATOM 0 HE3 MET A 91 4.974 14.527 -7.618 1.00 3.94 H new ATOM 971 N PHE A 92 5.638 10.741 -2.179 1.00 0.98 N ATOM 972 CA PHE A 92 6.733 11.230 -1.372 1.00 1.01 C ATOM 973 C PHE A 92 7.732 10.113 -1.156 1.00 0.90 C ATOM 974 O PHE A 92 7.350 8.965 -0.923 1.00 0.85 O ATOM 975 CB PHE A 92 6.227 11.775 -0.025 1.00 1.24 C ATOM 976 CG PHE A 92 5.502 10.768 0.834 1.00 1.49 C ATOM 977 CD1 PHE A 92 4.165 10.476 0.607 1.00 1.94 C ATOM 978 CD2 PHE A 92 6.163 10.111 1.861 1.00 1.58 C ATOM 979 CE1 PHE A 92 3.503 9.549 1.391 1.00 2.47 C ATOM 980 CE2 PHE A 92 5.504 9.185 2.647 1.00 2.01 C ATOM 981 CZ PHE A 92 4.162 8.921 2.421 1.00 2.46 C ATOM 0 H PHE A 92 5.369 9.776 -1.985 1.00 0.98 H new ATOM 0 HA PHE A 92 7.219 12.053 -1.896 1.00 1.01 H new ATOM 0 HB2 PHE A 92 7.077 12.164 0.535 1.00 1.24 H new ATOM 0 HB3 PHE A 92 5.560 12.615 -0.217 1.00 1.24 H new ATOM 0 HD1 PHE A 92 3.636 10.978 -0.190 1.00 1.94 H new ATOM 0 HD2 PHE A 92 7.205 10.326 2.049 1.00 1.58 H new ATOM 0 HE1 PHE A 92 2.467 9.318 1.194 1.00 2.47 H new ATOM 0 HE2 PHE A 92 6.033 8.669 3.435 1.00 2.01 H new ATOM 0 HZ PHE A 92 3.635 8.222 3.054 1.00 2.46 H new ATOM 991 N GLU A 93 9.003 10.429 -1.271 1.00 0.98 N ATOM 992 CA GLU A 93 10.027 9.439 -1.030 1.00 0.97 C ATOM 993 C GLU A 93 10.612 9.608 0.358 1.00 1.21 C ATOM 994 O GLU A 93 11.184 10.657 0.689 1.00 1.50 O ATOM 995 CB GLU A 93 11.126 9.481 -2.095 1.00 1.18 C ATOM 996 CG GLU A 93 11.731 10.850 -2.330 1.00 1.33 C ATOM 997 CD GLU A 93 13.025 10.762 -3.109 1.00 1.57 C ATOM 998 OE1 GLU A 93 12.983 10.379 -4.295 1.00 1.97 O ATOM 999 OE2 GLU A 93 14.088 11.113 -2.553 1.00 1.92 O ATOM 0 H GLU A 93 9.349 11.354 -1.527 1.00 0.98 H new ATOM 0 HA GLU A 93 9.557 8.458 -1.093 1.00 0.97 H new ATOM 0 HB2 GLU A 93 11.920 8.793 -1.805 1.00 1.18 H new ATOM 0 HB3 GLU A 93 10.715 9.115 -3.036 1.00 1.18 H new ATOM 0 HG2 GLU A 93 11.021 11.474 -2.873 1.00 1.33 H new ATOM 0 HG3 GLU A 93 11.915 11.336 -1.372 1.00 1.33 H new ATOM 1006 N TYR A 94 10.458 8.575 1.170 1.00 1.23 N ATOM 1007 CA TYR A 94 10.980 8.585 2.518 1.00 1.60 C ATOM 1008 C TYR A 94 12.169 7.645 2.589 1.00 1.67 C ATOM 1009 O TYR A 94 12.014 6.427 2.619 1.00 1.62 O ATOM 1010 CB TYR A 94 9.896 8.166 3.516 1.00 1.88 C ATOM 1011 CG TYR A 94 10.332 8.247 4.963 1.00 2.23 C ATOM 1012 CD1 TYR A 94 10.705 7.106 5.663 1.00 2.63 C ATOM 1013 CD2 TYR A 94 10.373 9.467 5.628 1.00 2.62 C ATOM 1014 CE1 TYR A 94 11.106 7.177 6.984 1.00 3.18 C ATOM 1015 CE2 TYR A 94 10.773 9.546 6.948 1.00 3.33 C ATOM 1016 CZ TYR A 94 11.138 8.399 7.622 1.00 3.51 C ATOM 1017 OH TYR A 94 11.536 8.477 8.939 1.00 4.29 O ATOM 0 H TYR A 94 9.972 7.716 0.913 1.00 1.23 H new ATOM 0 HA TYR A 94 11.300 9.594 2.780 1.00 1.60 H new ATOM 0 HB2 TYR A 94 9.021 8.800 3.374 1.00 1.88 H new ATOM 0 HB3 TYR A 94 9.588 7.144 3.296 1.00 1.88 H new ATOM 0 HD1 TYR A 94 10.681 6.147 5.166 1.00 2.63 H new ATOM 0 HD2 TYR A 94 10.088 10.367 5.104 1.00 2.62 H new ATOM 0 HE1 TYR A 94 11.393 6.280 7.513 1.00 3.18 H new ATOM 0 HE2 TYR A 94 10.800 10.502 7.450 1.00 3.33 H new ATOM 0 HH TYR A 94 11.503 9.410 9.236 1.00 4.29 H new ATOM 1027 N THR A 95 13.358 8.211 2.566 1.00 1.95 N ATOM 1028 CA THR A 95 14.555 7.408 2.559 1.00 2.19 C ATOM 1029 C THR A 95 14.924 6.980 3.970 1.00 2.45 C ATOM 1030 O THR A 95 14.686 7.704 4.939 1.00 2.63 O ATOM 1031 CB THR A 95 15.571 8.035 1.974 1.00 2.45 C ATOM 1032 OG1 THR A 95 16.727 7.185 1.927 1.00 2.89 O ATOM 1033 CG2 THR A 95 15.925 9.339 2.676 1.00 2.83 C ATOM 0 H THR A 95 13.517 9.218 2.552 1.00 1.95 H new ATOM 0 HA THR A 95 14.344 6.516 1.970 1.00 2.19 H new ATOM 0 HB THR A 95 15.252 8.277 0.960 1.00 2.45 H new ATOM 0 HG1 THR A 95 17.342 7.429 2.650 1.00 2.89 H new ATOM 0 HG21 THR A 95 16.760 9.814 2.161 1.00 2.83 H new ATOM 0 HG22 THR A 95 15.063 10.006 2.661 1.00 2.83 H new ATOM 0 HG23 THR A 95 16.206 9.132 3.709 1.00 2.83 H new ATOM 1041 N PHE A 96 15.414 5.763 4.090 1.00 2.62 N ATOM 1042 CA PHE A 96 15.913 5.274 5.352 1.00 3.02 C ATOM 1043 C PHE A 96 17.420 5.418 5.370 1.00 3.39 C ATOM 1044 O PHE A 96 18.124 4.687 4.669 1.00 3.84 O ATOM 1045 CB PHE A 96 15.515 3.810 5.570 1.00 3.29 C ATOM 1046 CG PHE A 96 14.028 3.582 5.595 1.00 3.71 C ATOM 1047 CD1 PHE A 96 13.303 3.782 6.758 1.00 4.45 C ATOM 1048 CD2 PHE A 96 13.357 3.170 4.453 1.00 3.78 C ATOM 1049 CE1 PHE A 96 11.936 3.576 6.784 1.00 5.24 C ATOM 1050 CE2 PHE A 96 11.990 2.962 4.473 1.00 4.50 C ATOM 1051 CZ PHE A 96 11.281 3.153 5.642 1.00 5.25 C ATOM 0 H PHE A 96 15.476 5.094 3.323 1.00 2.62 H new ATOM 0 HA PHE A 96 15.475 5.859 6.161 1.00 3.02 H new ATOM 0 HB2 PHE A 96 15.953 3.202 4.778 1.00 3.29 H new ATOM 0 HB3 PHE A 96 15.942 3.463 6.511 1.00 3.29 H new ATOM 0 HD1 PHE A 96 13.811 4.103 7.655 1.00 4.45 H new ATOM 0 HD2 PHE A 96 13.908 3.010 3.538 1.00 3.78 H new ATOM 0 HE1 PHE A 96 11.381 3.745 7.695 1.00 5.24 H new ATOM 0 HE2 PHE A 96 11.478 2.650 3.575 1.00 4.50 H new ATOM 0 HZ PHE A 96 10.216 2.972 5.665 1.00 5.25 H new ATOM 1061 N ASP A 97 17.911 6.378 6.147 1.00 3.71 N ATOM 1062 CA ASP A 97 19.343 6.644 6.234 1.00 4.37 C ATOM 1063 C ASP A 97 20.076 5.387 6.690 1.00 4.59 C ATOM 1064 O ASP A 97 21.249 5.190 6.371 1.00 4.90 O ATOM 1065 CB ASP A 97 19.628 7.821 7.180 1.00 5.00 C ATOM 1066 CG ASP A 97 19.400 7.489 8.642 1.00 5.62 C ATOM 1067 OD1 ASP A 97 20.369 7.563 9.430 1.00 5.98 O ATOM 1068 OD2 ASP A 97 18.255 7.159 9.016 1.00 6.06 O ATOM 0 H ASP A 97 17.335 6.987 6.728 1.00 3.71 H new ATOM 0 HA ASP A 97 19.708 6.922 5.245 1.00 4.37 H new ATOM 0 HB2 ASP A 97 20.660 8.144 7.045 1.00 5.00 H new ATOM 0 HB3 ASP A 97 18.992 8.662 6.903 1.00 5.00 H new ATOM 1073 N TYR A 98 19.352 4.544 7.430 1.00 4.86 N ATOM 1074 CA TYR A 98 19.791 3.192 7.760 1.00 5.39 C ATOM 1075 C TYR A 98 21.033 3.208 8.644 1.00 5.39 C ATOM 1076 O TYR A 98 20.922 3.230 9.869 1.00 5.65 O ATOM 1077 CB TYR A 98 20.047 2.400 6.471 1.00 6.08 C ATOM 1078 CG TYR A 98 20.050 0.898 6.642 1.00 6.83 C ATOM 1079 CD1 TYR A 98 21.138 0.132 6.237 1.00 7.42 C ATOM 1080 CD2 TYR A 98 18.953 0.242 7.189 1.00 7.24 C ATOM 1081 CE1 TYR A 98 21.129 -1.244 6.372 1.00 8.35 C ATOM 1082 CE2 TYR A 98 18.941 -1.131 7.332 1.00 8.16 C ATOM 1083 CZ TYR A 98 20.029 -1.870 6.920 1.00 8.70 C ATOM 1084 OH TYR A 98 20.015 -3.241 7.052 1.00 9.77 O ATOM 0 H TYR A 98 18.440 4.785 7.818 1.00 4.86 H new ATOM 0 HA TYR A 98 18.999 2.702 8.326 1.00 5.39 H new ATOM 0 HB2 TYR A 98 19.285 2.667 5.739 1.00 6.08 H new ATOM 0 HB3 TYR A 98 21.008 2.707 6.057 1.00 6.08 H new ATOM 0 HD1 TYR A 98 22.003 0.619 5.811 1.00 7.42 H new ATOM 0 HD2 TYR A 98 18.096 0.816 7.507 1.00 7.24 H new ATOM 0 HE1 TYR A 98 21.980 -1.826 6.050 1.00 8.35 H new ATOM 0 HE2 TYR A 98 18.083 -1.624 7.765 1.00 8.16 H new ATOM 0 HH TYR A 98 19.168 -3.522 7.457 1.00 9.77 H new ATOM 1094 N GLN A 99 22.204 3.222 8.013 1.00 5.51 N ATOM 1095 CA GLN A 99 23.485 3.187 8.712 1.00 5.83 C ATOM 1096 C GLN A 99 24.590 3.661 7.780 1.00 5.62 C ATOM 1097 O GLN A 99 25.328 4.595 8.096 1.00 5.86 O ATOM 1098 CB GLN A 99 23.803 1.773 9.211 1.00 6.51 C ATOM 1099 CG GLN A 99 23.113 1.401 10.514 1.00 7.10 C ATOM 1100 CD GLN A 99 22.596 -0.022 10.510 1.00 7.79 C ATOM 1101 OE1 GLN A 99 22.225 -0.555 9.465 1.00 8.08 O ATOM 1102 NE2 GLN A 99 22.564 -0.649 11.676 1.00 8.34 N ATOM 0 H GLN A 99 22.291 3.258 6.997 1.00 5.51 H new ATOM 0 HA GLN A 99 23.422 3.849 9.576 1.00 5.83 H new ATOM 0 HB2 GLN A 99 23.515 1.056 8.443 1.00 6.51 H new ATOM 0 HB3 GLN A 99 24.881 1.681 9.345 1.00 6.51 H new ATOM 0 HG2 GLN A 99 23.812 1.528 11.341 1.00 7.10 H new ATOM 0 HG3 GLN A 99 22.283 2.085 10.690 1.00 7.10 H new ATOM 0 HE21 GLN A 99 22.881 -0.172 12.520 1.00 8.34 H new ATOM 0 HE22 GLN A 99 22.223 -1.609 11.730 1.00 8.34 H new ATOM 1111 N MET A 100 24.692 3.007 6.627 1.00 5.51 N ATOM 1112 CA MET A 100 25.708 3.342 5.638 1.00 5.61 C ATOM 1113 C MET A 100 25.085 4.084 4.460 1.00 5.03 C ATOM 1114 O MET A 100 25.300 5.283 4.279 1.00 5.20 O ATOM 1115 CB MET A 100 26.410 2.080 5.118 1.00 6.33 C ATOM 1116 CG MET A 100 26.970 1.174 6.204 1.00 6.86 C ATOM 1117 SD MET A 100 25.720 0.110 6.960 1.00 7.54 S ATOM 1118 CE MET A 100 25.222 -0.878 5.552 1.00 8.19 C ATOM 0 H MET A 100 24.079 2.238 6.355 1.00 5.51 H new ATOM 0 HA MET A 100 26.442 3.982 6.127 1.00 5.61 H new ATOM 0 HB2 MET A 100 25.703 1.509 4.516 1.00 6.33 H new ATOM 0 HB3 MET A 100 27.224 2.379 4.457 1.00 6.33 H new ATOM 0 HG2 MET A 100 27.758 0.552 5.779 1.00 6.86 H new ATOM 0 HG3 MET A 100 27.431 1.788 6.978 1.00 6.86 H new ATOM 0 HE1 MET A 100 25.195 -1.930 5.837 1.00 8.19 H new ATOM 0 HE2 MET A 100 24.231 -0.567 5.221 1.00 8.19 H new ATOM 0 HE3 MET A 100 25.936 -0.740 4.740 1.00 8.19 H new ATOM 1128 N THR A 101 24.313 3.357 3.664 1.00 4.63 N ATOM 1129 CA THR A 101 23.675 3.927 2.492 1.00 4.25 C ATOM 1130 C THR A 101 22.177 4.124 2.739 1.00 3.46 C ATOM 1131 O THR A 101 21.550 3.339 3.457 1.00 3.35 O ATOM 1132 CB THR A 101 23.881 3.177 1.403 1.00 4.65 C ATOM 1133 OG1 THR A 101 23.284 3.779 0.244 1.00 5.10 O ATOM 1134 CG2 THR A 101 23.348 1.758 1.564 1.00 5.07 C ATOM 0 H THR A 101 24.115 2.367 3.812 1.00 4.63 H new ATOM 0 HA THR A 101 24.129 4.901 2.309 1.00 4.25 H new ATOM 0 HB THR A 101 24.961 3.120 1.271 1.00 4.65 H new ATOM 0 HG1 THR A 101 23.449 3.214 -0.540 1.00 5.10 H new ATOM 0 HG21 THR A 101 23.540 1.192 0.653 1.00 5.07 H new ATOM 0 HG22 THR A 101 23.847 1.275 2.404 1.00 5.07 H new ATOM 0 HG23 THR A 101 22.275 1.792 1.751 1.00 5.07 H new ATOM 1142 N PRO A 102 21.604 5.226 2.231 1.00 3.42 N ATOM 1143 CA PRO A 102 20.174 5.495 2.361 1.00 3.17 C ATOM 1144 C PRO A 102 19.330 4.575 1.486 1.00 2.61 C ATOM 1145 O PRO A 102 19.469 4.567 0.262 1.00 2.79 O ATOM 1146 CB PRO A 102 20.035 6.947 1.896 1.00 3.96 C ATOM 1147 CG PRO A 102 21.195 7.167 0.988 1.00 4.51 C ATOM 1148 CD PRO A 102 22.309 6.315 1.525 1.00 4.18 C ATOM 0 HA PRO A 102 19.822 5.326 3.379 1.00 3.17 H new ATOM 0 HB2 PRO A 102 19.090 7.108 1.377 1.00 3.96 H new ATOM 0 HB3 PRO A 102 20.056 7.637 2.740 1.00 3.96 H new ATOM 0 HG2 PRO A 102 20.948 6.886 -0.036 1.00 4.51 H new ATOM 0 HG3 PRO A 102 21.482 8.218 0.970 1.00 4.51 H new ATOM 0 HD2 PRO A 102 22.941 5.931 0.725 1.00 4.18 H new ATOM 0 HD3 PRO A 102 22.955 6.878 2.199 1.00 4.18 H new ATOM 1156 N THR A 103 18.474 3.791 2.118 1.00 2.26 N ATOM 1157 CA THR A 103 17.529 2.961 1.397 1.00 1.91 C ATOM 1158 C THR A 103 16.253 3.761 1.161 1.00 1.65 C ATOM 1159 O THR A 103 15.394 3.857 2.036 1.00 1.74 O ATOM 1160 CB THR A 103 17.257 1.871 2.085 1.00 2.12 C ATOM 1161 OG1 THR A 103 18.486 1.273 2.532 1.00 2.59 O ATOM 1162 CG2 THR A 103 16.466 0.872 1.253 1.00 2.29 C ATOM 0 H THR A 103 18.415 3.713 3.133 1.00 2.26 H new ATOM 0 HA THR A 103 17.962 2.663 0.442 1.00 1.91 H new ATOM 0 HB THR A 103 16.644 2.148 2.943 1.00 2.12 H new ATOM 0 HG1 THR A 103 18.287 0.462 3.046 1.00 2.59 H new ATOM 0 HG21 THR A 103 16.258 -0.016 1.851 1.00 2.29 H new ATOM 0 HG22 THR A 103 15.526 1.325 0.937 1.00 2.29 H new ATOM 0 HG23 THR A 103 17.046 0.590 0.374 1.00 2.29 H new ATOM 1170 N LYS A 104 16.130 4.323 -0.027 1.00 1.52 N ATOM 1171 CA LYS A 104 15.053 5.248 -0.315 1.00 1.37 C ATOM 1172 C LYS A 104 13.858 4.539 -0.929 1.00 1.18 C ATOM 1173 O LYS A 104 13.996 3.810 -1.918 1.00 1.26 O ATOM 1174 CB LYS A 104 15.550 6.358 -1.247 1.00 1.53 C ATOM 1175 CG LYS A 104 14.479 7.369 -1.635 1.00 1.64 C ATOM 1176 CD LYS A 104 14.016 7.179 -3.075 1.00 2.24 C ATOM 1177 CE LYS A 104 15.106 7.548 -4.072 1.00 2.60 C ATOM 1178 NZ LYS A 104 15.430 9.000 -4.035 1.00 3.12 N ATOM 0 H LYS A 104 16.764 4.154 -0.808 1.00 1.52 H new ATOM 0 HA LYS A 104 14.727 5.689 0.627 1.00 1.37 H new ATOM 0 HB2 LYS A 104 16.372 6.884 -0.762 1.00 1.53 H new ATOM 0 HB3 LYS A 104 15.952 5.904 -2.153 1.00 1.53 H new ATOM 0 HG2 LYS A 104 13.626 7.271 -0.963 1.00 1.64 H new ATOM 0 HG3 LYS A 104 14.870 8.379 -1.509 1.00 1.64 H new ATOM 0 HD2 LYS A 104 13.720 6.141 -3.228 1.00 2.24 H new ATOM 0 HD3 LYS A 104 13.134 7.793 -3.257 1.00 2.24 H new ATOM 0 HE2 LYS A 104 16.005 6.971 -3.856 1.00 2.60 H new ATOM 0 HE3 LYS A 104 14.785 7.274 -5.077 1.00 2.60 H new ATOM 0 HZ1 LYS A 104 16.294 9.177 -4.586 1.00 3.12 H new ATOM 0 HZ2 LYS A 104 14.642 9.542 -4.443 1.00 3.12 H new ATOM 0 HZ3 LYS A 104 15.580 9.297 -3.050 1.00 3.12 H new ATOM 1192 N VAL A 105 12.692 4.744 -0.326 1.00 1.04 N ATOM 1193 CA VAL A 105 11.451 4.299 -0.914 1.00 0.90 C ATOM 1194 C VAL A 105 10.641 5.492 -1.369 1.00 0.72 C ATOM 1195 O VAL A 105 10.879 6.616 -0.935 1.00 0.75 O ATOM 1196 CB VAL A 105 10.720 3.547 -0.102 1.00 1.00 C ATOM 1197 CG1 VAL A 105 11.456 2.262 0.249 1.00 1.23 C ATOM 1198 CG2 VAL A 105 10.316 4.292 1.161 1.00 1.11 C ATOM 0 H VAL A 105 12.589 5.217 0.572 1.00 1.04 H new ATOM 0 HA VAL A 105 11.720 3.672 -1.764 1.00 0.90 H new ATOM 0 HB VAL A 105 9.804 3.294 -0.636 1.00 1.00 H new ATOM 0 HG11 VAL A 105 10.839 1.660 0.916 1.00 1.23 H new ATOM 0 HG12 VAL A 105 11.661 1.700 -0.662 1.00 1.23 H new ATOM 0 HG13 VAL A 105 12.396 2.505 0.745 1.00 1.23 H new ATOM 0 HG21 VAL A 105 9.719 3.636 1.795 1.00 1.11 H new ATOM 0 HG22 VAL A 105 11.210 4.604 1.701 1.00 1.11 H new ATOM 0 HG23 VAL A 105 9.729 5.171 0.893 1.00 1.11 H new ATOM 1208 N LYS A 106 9.731 5.253 -2.282 1.00 0.64 N ATOM 1209 CA LYS A 106 8.885 6.307 -2.806 1.00 0.59 C ATOM 1210 C LYS A 106 7.440 5.843 -2.806 1.00 0.53 C ATOM 1211 O LYS A 106 7.102 4.857 -3.463 1.00 0.68 O ATOM 1212 CB LYS A 106 9.333 6.693 -4.219 1.00 0.79 C ATOM 1213 CG LYS A 106 8.619 7.909 -4.792 1.00 1.39 C ATOM 1214 CD LYS A 106 9.087 8.210 -6.209 1.00 1.61 C ATOM 1215 CE LYS A 106 10.561 8.588 -6.251 1.00 2.08 C ATOM 1216 NZ LYS A 106 10.800 9.955 -5.715 1.00 2.36 N ATOM 0 H LYS A 106 9.554 4.332 -2.682 1.00 0.64 H new ATOM 0 HA LYS A 106 8.971 7.189 -2.172 1.00 0.59 H new ATOM 0 HB2 LYS A 106 10.405 6.888 -4.207 1.00 0.79 H new ATOM 0 HB3 LYS A 106 9.171 5.844 -4.884 1.00 0.79 H new ATOM 0 HG2 LYS A 106 7.543 7.735 -4.792 1.00 1.39 H new ATOM 0 HG3 LYS A 106 8.802 8.774 -4.155 1.00 1.39 H new ATOM 0 HD2 LYS A 106 8.918 7.338 -6.840 1.00 1.61 H new ATOM 0 HD3 LYS A 106 8.491 9.024 -6.623 1.00 1.61 H new ATOM 0 HE2 LYS A 106 11.137 7.866 -5.673 1.00 2.08 H new ATOM 0 HE3 LYS A 106 10.920 8.533 -7.279 1.00 2.08 H new ATOM 0 HZ1 LYS A 106 11.167 10.566 -6.472 1.00 2.36 H new ATOM 0 HZ2 LYS A 106 9.907 10.348 -5.356 1.00 2.36 H new ATOM 0 HZ3 LYS A 106 11.493 9.908 -4.941 1.00 2.36 H new ATOM 1230 N VAL A 107 6.596 6.542 -2.062 1.00 0.47 N ATOM 1231 CA VAL A 107 5.208 6.144 -1.915 1.00 0.49 C ATOM 1232 C VAL A 107 4.345 6.894 -2.896 1.00 0.45 C ATOM 1233 O VAL A 107 4.066 8.075 -2.698 1.00 0.74 O ATOM 1234 CB VAL A 107 4.725 6.403 -0.708 1.00 0.60 C ATOM 1235 CG1 VAL A 107 3.518 5.519 -0.428 1.00 0.99 C ATOM 1236 CG2 VAL A 107 5.776 6.253 0.386 1.00 1.11 C ATOM 0 H VAL A 107 6.850 7.388 -1.551 1.00 0.47 H new ATOM 0 HA VAL A 107 5.187 5.068 -2.091 1.00 0.49 H new ATOM 0 HB VAL A 107 4.414 7.447 -0.697 1.00 0.60 H new ATOM 0 HG11 VAL A 107 3.128 5.739 0.566 1.00 0.99 H new ATOM 0 HG12 VAL A 107 2.745 5.712 -1.172 1.00 0.99 H new ATOM 0 HG13 VAL A 107 3.815 4.471 -0.477 1.00 0.99 H new ATOM 0 HG21 VAL A 107 5.328 6.476 1.354 1.00 1.11 H new ATOM 0 HG22 VAL A 107 6.155 5.231 0.389 1.00 1.11 H new ATOM 0 HG23 VAL A 107 6.598 6.944 0.198 1.00 1.11 H new ATOM 1246 N HIS A 108 3.913 6.229 -3.942 1.00 0.30 N ATOM 1247 CA HIS A 108 2.920 6.820 -4.796 1.00 0.31 C ATOM 1248 C HIS A 108 1.613 6.103 -4.548 1.00 0.28 C ATOM 1249 O HIS A 108 1.390 5.000 -5.027 1.00 0.31 O ATOM 1250 CB HIS A 108 3.333 6.725 -6.270 1.00 0.43 C ATOM 1251 CG HIS A 108 2.544 7.629 -7.168 1.00 0.56 C ATOM 1252 ND1 HIS A 108 3.098 8.319 -8.224 1.00 0.94 N ATOM 1253 CD2 HIS A 108 1.230 7.939 -7.171 1.00 0.71 C ATOM 1254 CE1 HIS A 108 2.156 9.009 -8.840 1.00 1.01 C ATOM 1255 NE2 HIS A 108 1.011 8.794 -8.222 1.00 0.80 N ATOM 0 H HIS A 108 4.228 5.298 -4.215 1.00 0.30 H new ATOM 0 HA HIS A 108 2.813 7.881 -4.569 1.00 0.31 H new ATOM 0 HB2 HIS A 108 4.391 6.969 -6.360 1.00 0.43 H new ATOM 0 HB3 HIS A 108 3.214 5.695 -6.608 1.00 0.43 H new ATOM 0 HD2 HIS A 108 0.487 7.580 -6.474 1.00 0.71 H new ATOM 0 HE1 HIS A 108 2.299 9.642 -9.703 1.00 1.01 H new ATOM 0 HE2 HIS A 108 0.111 9.197 -8.482 1.00 0.80 H new ATOM 1264 N MET A 109 0.752 6.741 -3.796 1.00 0.31 N ATOM 1265 CA MET A 109 -0.560 6.200 -3.526 1.00 0.33 C ATOM 1266 C MET A 109 -1.557 7.051 -4.250 1.00 0.37 C ATOM 1267 O MET A 109 -1.413 8.270 -4.274 1.00 0.55 O ATOM 1268 CB MET A 109 -0.864 6.180 -2.026 1.00 0.43 C ATOM 1269 CG MET A 109 0.005 5.218 -1.229 1.00 0.77 C ATOM 1270 SD MET A 109 -0.515 5.068 0.493 1.00 1.28 S ATOM 1271 CE MET A 109 -2.133 4.327 0.293 1.00 2.22 C ATOM 0 H MET A 109 0.936 7.643 -3.356 1.00 0.31 H new ATOM 0 HA MET A 109 -0.609 5.167 -3.870 1.00 0.33 H new ATOM 0 HB2 MET A 109 -0.735 7.186 -1.626 1.00 0.43 H new ATOM 0 HB3 MET A 109 -1.911 5.912 -1.882 1.00 0.43 H new ATOM 0 HG2 MET A 109 -0.024 4.235 -1.699 1.00 0.77 H new ATOM 0 HG3 MET A 109 1.040 5.558 -1.263 1.00 0.77 H new ATOM 0 HE1 MET A 109 -2.901 5.048 0.575 1.00 2.22 H new ATOM 0 HE2 MET A 109 -2.274 4.035 -0.748 1.00 2.22 H new ATOM 0 HE3 MET A 109 -2.211 3.446 0.930 1.00 2.22 H new ATOM 1281 N LYS A 110 -2.538 6.437 -4.864 1.00 0.27 N ATOM 1282 CA LYS A 110 -3.470 7.192 -5.658 1.00 0.30 C ATOM 1283 C LYS A 110 -4.852 6.610 -5.538 1.00 0.24 C ATOM 1284 O LYS A 110 -5.030 5.396 -5.587 1.00 0.24 O ATOM 1285 CB LYS A 110 -3.034 7.231 -7.127 1.00 0.43 C ATOM 1286 CG LYS A 110 -2.964 5.867 -7.792 1.00 0.64 C ATOM 1287 CD LYS A 110 -2.659 5.988 -9.277 1.00 0.78 C ATOM 1288 CE LYS A 110 -3.715 6.809 -10.000 1.00 1.38 C ATOM 1289 NZ LYS A 110 -5.070 6.211 -9.883 1.00 1.73 N ATOM 0 H LYS A 110 -2.709 5.432 -4.830 1.00 0.27 H new ATOM 0 HA LYS A 110 -3.486 8.215 -5.281 1.00 0.30 H new ATOM 0 HB2 LYS A 110 -3.729 7.859 -7.684 1.00 0.43 H new ATOM 0 HB3 LYS A 110 -2.054 7.705 -7.191 1.00 0.43 H new ATOM 0 HG2 LYS A 110 -2.195 5.264 -7.309 1.00 0.64 H new ATOM 0 HG3 LYS A 110 -3.911 5.345 -7.655 1.00 0.64 H new ATOM 0 HD2 LYS A 110 -1.682 6.451 -9.412 1.00 0.78 H new ATOM 0 HD3 LYS A 110 -2.604 4.994 -9.720 1.00 0.78 H new ATOM 0 HE2 LYS A 110 -3.729 7.819 -9.591 1.00 1.38 H new ATOM 0 HE3 LYS A 110 -3.448 6.895 -11.053 1.00 1.38 H new ATOM 0 HZ1 LYS A 110 -5.599 6.375 -10.763 1.00 1.73 H new ATOM 0 HZ2 LYS A 110 -4.985 5.188 -9.716 1.00 1.73 H new ATOM 0 HZ3 LYS A 110 -5.576 6.651 -9.088 1.00 1.73 H new ATOM 1303 N LYS A 111 -5.819 7.479 -5.363 1.00 0.23 N ATOM 1304 CA LYS A 111 -7.188 7.084 -5.383 1.00 0.22 C ATOM 1305 C LYS A 111 -7.520 6.370 -6.687 1.00 0.22 C ATOM 1306 O LYS A 111 -7.392 6.923 -7.781 1.00 0.29 O ATOM 1307 CB LYS A 111 -8.009 8.339 -5.192 1.00 0.28 C ATOM 1308 CG LYS A 111 -9.508 8.161 -5.360 1.00 0.35 C ATOM 1309 CD LYS A 111 -10.248 9.423 -4.955 1.00 0.53 C ATOM 1310 CE LYS A 111 -11.704 9.398 -5.396 1.00 0.91 C ATOM 1311 NZ LYS A 111 -11.841 9.585 -6.864 1.00 1.78 N ATOM 0 H LYS A 111 -5.669 8.475 -5.204 1.00 0.23 H new ATOM 0 HA LYS A 111 -7.410 6.374 -4.587 1.00 0.22 H new ATOM 0 HB2 LYS A 111 -7.815 8.733 -4.194 1.00 0.28 H new ATOM 0 HB3 LYS A 111 -7.666 9.090 -5.903 1.00 0.28 H new ATOM 0 HG2 LYS A 111 -9.736 7.917 -6.398 1.00 0.35 H new ATOM 0 HG3 LYS A 111 -9.850 7.323 -4.753 1.00 0.35 H new ATOM 0 HD2 LYS A 111 -10.199 9.540 -3.872 1.00 0.53 H new ATOM 0 HD3 LYS A 111 -9.752 10.290 -5.392 1.00 0.53 H new ATOM 0 HE2 LYS A 111 -12.155 8.448 -5.107 1.00 0.91 H new ATOM 0 HE3 LYS A 111 -12.254 10.183 -4.877 1.00 0.91 H new ATOM 0 HZ1 LYS A 111 -12.842 9.731 -7.103 1.00 1.78 H new ATOM 0 HZ2 LYS A 111 -11.289 10.415 -7.161 1.00 1.78 H new ATOM 0 HZ3 LYS A 111 -11.487 8.740 -7.356 1.00 1.78 H new ATOM 1325 N ALA A 112 -7.879 5.104 -6.536 1.00 0.22 N ATOM 1326 CA ALA A 112 -8.199 4.230 -7.648 1.00 0.26 C ATOM 1327 C ALA A 112 -9.342 4.800 -8.467 1.00 0.38 C ATOM 1328 O ALA A 112 -10.186 5.520 -7.940 1.00 0.45 O ATOM 1329 CB ALA A 112 -8.544 2.837 -7.153 1.00 0.33 C ATOM 0 H ALA A 112 -7.956 4.652 -5.625 1.00 0.22 H new ATOM 0 HA ALA A 112 -7.320 4.160 -8.288 1.00 0.26 H new ATOM 0 HB1 ALA A 112 -8.781 2.197 -8.003 1.00 0.33 H new ATOM 0 HB2 ALA A 112 -7.693 2.422 -6.612 1.00 0.33 H new ATOM 0 HB3 ALA A 112 -9.406 2.890 -6.488 1.00 0.33 H new ATOM 1335 N LEU A 113 -9.354 4.498 -9.756 1.00 0.47 N ATOM 1336 CA LEU A 113 -10.379 5.013 -10.661 1.00 0.64 C ATOM 1337 C LEU A 113 -11.774 4.520 -10.259 1.00 0.76 C ATOM 1338 O LEU A 113 -12.786 5.043 -10.726 1.00 0.96 O ATOM 1339 CB LEU A 113 -10.073 4.606 -12.108 1.00 0.76 C ATOM 1340 CG LEU A 113 -8.938 5.378 -12.802 1.00 1.55 C ATOM 1341 CD1 LEU A 113 -7.599 5.134 -12.125 1.00 2.27 C ATOM 1342 CD2 LEU A 113 -8.864 4.990 -14.268 1.00 2.39 C ATOM 0 H LEU A 113 -8.663 3.896 -10.204 1.00 0.47 H new ATOM 0 HA LEU A 113 -10.369 6.101 -10.590 1.00 0.64 H new ATOM 0 HB2 LEU A 113 -9.824 3.545 -12.121 1.00 0.76 H new ATOM 0 HB3 LEU A 113 -10.981 4.727 -12.698 1.00 0.76 H new ATOM 0 HG LEU A 113 -9.160 6.442 -12.722 1.00 1.55 H new ATOM 0 HD11 LEU A 113 -6.822 5.696 -12.643 1.00 2.27 H new ATOM 0 HD12 LEU A 113 -7.652 5.460 -11.086 1.00 2.27 H new ATOM 0 HD13 LEU A 113 -7.362 4.071 -12.159 1.00 2.27 H new ATOM 0 HD21 LEU A 113 -8.057 5.542 -14.750 1.00 2.39 H new ATOM 0 HD22 LEU A 113 -8.672 3.920 -14.352 1.00 2.39 H new ATOM 0 HD23 LEU A 113 -9.809 5.229 -14.756 1.00 2.39 H new ATOM 1354 N SER A 114 -11.818 3.512 -9.394 1.00 0.73 N ATOM 1355 CA SER A 114 -13.073 3.035 -8.829 1.00 0.92 C ATOM 1356 C SER A 114 -13.571 4.001 -7.745 1.00 0.93 C ATOM 1357 O SER A 114 -14.767 4.075 -7.461 1.00 1.27 O ATOM 1358 CB SER A 114 -12.881 1.631 -8.242 1.00 1.04 C ATOM 1359 OG SER A 114 -14.105 1.082 -7.789 1.00 1.66 O ATOM 0 H SER A 114 -10.993 3.008 -9.068 1.00 0.73 H new ATOM 0 HA SER A 114 -13.821 2.988 -9.621 1.00 0.92 H new ATOM 0 HB2 SER A 114 -12.446 0.977 -8.998 1.00 1.04 H new ATOM 0 HB3 SER A 114 -12.174 1.676 -7.414 1.00 1.04 H new ATOM 0 HG SER A 114 -14.019 0.823 -6.848 1.00 1.66 H new ATOM 1365 N GLY A 115 -12.642 4.745 -7.149 1.00 0.71 N ATOM 1366 CA GLY A 115 -12.989 5.683 -6.093 1.00 0.79 C ATOM 1367 C GLY A 115 -12.969 5.041 -4.718 1.00 0.78 C ATOM 1368 O GLY A 115 -12.423 5.598 -3.767 1.00 1.52 O ATOM 0 H GLY A 115 -11.649 4.715 -7.380 1.00 0.71 H new ATOM 0 HA2 GLY A 115 -12.291 6.520 -6.110 1.00 0.79 H new ATOM 0 HA3 GLY A 115 -13.981 6.092 -6.286 1.00 0.79 H new ATOM 1372 N ASP A 116 -13.547 3.853 -4.629 1.00 0.72 N ATOM 1373 CA ASP A 116 -13.677 3.124 -3.364 1.00 0.85 C ATOM 1374 C ASP A 116 -12.439 2.282 -3.069 1.00 0.80 C ATOM 1375 O ASP A 116 -12.513 1.228 -2.431 1.00 1.40 O ATOM 1376 CB ASP A 116 -14.924 2.236 -3.417 1.00 1.25 C ATOM 1377 CG ASP A 116 -15.055 1.494 -4.737 1.00 2.10 C ATOM 1378 OD1 ASP A 116 -14.177 0.660 -5.043 1.00 2.63 O ATOM 1379 OD2 ASP A 116 -16.052 1.712 -5.459 1.00 2.79 O ATOM 0 H ASP A 116 -13.942 3.361 -5.430 1.00 0.72 H new ATOM 0 HA ASP A 116 -13.775 3.850 -2.557 1.00 0.85 H new ATOM 0 HB2 ASP A 116 -14.887 1.515 -2.601 1.00 1.25 H new ATOM 0 HB3 ASP A 116 -15.810 2.850 -3.260 1.00 1.25 H new ATOM 1384 N SER A 117 -11.300 2.800 -3.476 1.00 0.42 N ATOM 1385 CA SER A 117 -10.032 2.093 -3.373 1.00 0.29 C ATOM 1386 C SER A 117 -8.871 3.032 -3.691 1.00 0.22 C ATOM 1387 O SER A 117 -9.066 4.080 -4.309 1.00 0.25 O ATOM 1388 CB SER A 117 -10.039 0.882 -4.304 1.00 0.34 C ATOM 1389 OG SER A 117 -10.738 1.156 -5.509 1.00 0.44 O ATOM 0 H SER A 117 -11.222 3.729 -3.891 1.00 0.42 H new ATOM 0 HA SER A 117 -9.899 1.739 -2.351 1.00 0.29 H new ATOM 0 HB2 SER A 117 -9.014 0.593 -4.535 1.00 0.34 H new ATOM 0 HB3 SER A 117 -10.502 0.035 -3.798 1.00 0.34 H new ATOM 0 HG SER A 117 -10.723 0.362 -6.084 1.00 0.44 H new ATOM 1395 N TYR A 118 -7.677 2.672 -3.241 1.00 0.19 N ATOM 1396 CA TYR A 118 -6.476 3.480 -3.479 1.00 0.19 C ATOM 1397 C TYR A 118 -5.275 2.575 -3.763 1.00 0.20 C ATOM 1398 O TYR A 118 -5.164 1.486 -3.205 1.00 0.25 O ATOM 1399 CB TYR A 118 -6.167 4.376 -2.270 1.00 0.22 C ATOM 1400 CG TYR A 118 -7.345 5.148 -1.739 1.00 0.23 C ATOM 1401 CD1 TYR A 118 -8.071 4.671 -0.668 1.00 0.30 C ATOM 1402 CD2 TYR A 118 -7.715 6.354 -2.303 1.00 0.25 C ATOM 1403 CE1 TYR A 118 -9.147 5.375 -0.164 1.00 0.35 C ATOM 1404 CE2 TYR A 118 -8.789 7.071 -1.812 1.00 0.30 C ATOM 1405 CZ TYR A 118 -9.505 6.577 -0.742 1.00 0.34 C ATOM 1406 OH TYR A 118 -10.573 7.288 -0.245 1.00 0.42 O ATOM 0 H TYR A 118 -7.508 1.821 -2.705 1.00 0.19 H new ATOM 0 HA TYR A 118 -6.666 4.114 -4.345 1.00 0.19 H new ATOM 0 HB2 TYR A 118 -5.766 3.755 -1.469 1.00 0.22 H new ATOM 0 HB3 TYR A 118 -5.384 5.081 -2.549 1.00 0.22 H new ATOM 0 HD1 TYR A 118 -7.793 3.731 -0.215 1.00 0.30 H new ATOM 0 HD2 TYR A 118 -7.156 6.742 -3.141 1.00 0.25 H new ATOM 0 HE1 TYR A 118 -9.705 4.988 0.676 1.00 0.35 H new ATOM 0 HE2 TYR A 118 -9.066 8.012 -2.263 1.00 0.30 H new ATOM 0 HH TYR A 118 -10.689 8.110 -0.765 1.00 0.42 H new ATOM 1416 N TRP A 119 -4.380 3.017 -4.631 1.00 0.20 N ATOM 1417 CA TRP A 119 -3.226 2.223 -4.999 1.00 0.22 C ATOM 1418 C TRP A 119 -2.022 2.549 -4.143 1.00 0.25 C ATOM 1419 O TRP A 119 -1.977 3.571 -3.462 1.00 0.27 O ATOM 1420 CB TRP A 119 -2.848 2.490 -6.441 1.00 0.25 C ATOM 1421 CG TRP A 119 -3.833 2.009 -7.442 1.00 0.26 C ATOM 1422 CD1 TRP A 119 -5.090 2.482 -7.654 1.00 0.27 C ATOM 1423 CD2 TRP A 119 -3.613 0.979 -8.397 1.00 0.30 C ATOM 1424 NE1 TRP A 119 -5.678 1.787 -8.689 1.00 0.32 N ATOM 1425 CE2 TRP A 119 -4.785 0.856 -9.159 1.00 0.33 C ATOM 1426 CE3 TRP A 119 -2.538 0.144 -8.672 1.00 0.34 C ATOM 1427 CZ2 TRP A 119 -4.906 -0.071 -10.188 1.00 0.40 C ATOM 1428 CZ3 TRP A 119 -2.651 -0.770 -9.684 1.00 0.40 C ATOM 1429 CH2 TRP A 119 -3.827 -0.878 -10.438 1.00 0.42 C ATOM 0 H TRP A 119 -4.433 3.925 -5.094 1.00 0.20 H new ATOM 0 HA TRP A 119 -3.502 1.179 -4.852 1.00 0.22 H new ATOM 0 HB2 TRP A 119 -2.711 3.563 -6.573 1.00 0.25 H new ATOM 0 HB3 TRP A 119 -1.886 2.019 -6.643 1.00 0.25 H new ATOM 0 HD1 TRP A 119 -5.557 3.281 -7.096 1.00 0.27 H new ATOM 0 HE1 TRP A 119 -6.621 1.939 -9.047 1.00 0.32 H new ATOM 0 HE3 TRP A 119 -1.627 0.215 -8.096 1.00 0.34 H new ATOM 0 HZ2 TRP A 119 -5.814 -0.152 -10.767 1.00 0.40 H new ATOM 0 HZ3 TRP A 119 -1.818 -1.421 -9.906 1.00 0.40 H new ATOM 0 HH2 TRP A 119 -3.884 -1.610 -11.230 1.00 0.42 H new ATOM 1440 N VAL A 120 -1.043 1.668 -4.223 1.00 0.28 N ATOM 1441 CA VAL A 120 0.247 1.838 -3.571 1.00 0.32 C ATOM 1442 C VAL A 120 1.362 1.447 -4.545 1.00 0.34 C ATOM 1443 O VAL A 120 1.579 0.263 -4.807 1.00 0.43 O ATOM 1444 CB VAL A 120 0.350 1.075 -2.485 1.00 0.38 C ATOM 1445 CG1 VAL A 120 1.710 1.266 -1.815 1.00 0.56 C ATOM 1446 CG2 VAL A 120 -0.768 1.342 -1.488 1.00 0.62 C ATOM 0 H VAL A 120 -1.120 0.799 -4.751 1.00 0.28 H new ATOM 0 HA VAL A 120 0.336 2.883 -3.274 1.00 0.32 H new ATOM 0 HB VAL A 120 0.258 0.040 -2.814 1.00 0.38 H new ATOM 0 HG11 VAL A 120 1.772 0.633 -0.930 1.00 0.56 H new ATOM 0 HG12 VAL A 120 2.501 0.992 -2.513 1.00 0.56 H new ATOM 0 HG13 VAL A 120 1.829 2.310 -1.524 1.00 0.56 H new ATOM 0 HG21 VAL A 120 -0.642 0.697 -0.619 1.00 0.62 H new ATOM 0 HG22 VAL A 120 -0.734 2.385 -1.174 1.00 0.62 H new ATOM 0 HG23 VAL A 120 -1.730 1.136 -1.957 1.00 0.62 H new ATOM 1456 N PHE A 121 2.052 2.435 -5.096 1.00 0.34 N ATOM 1457 CA PHE A 121 3.202 2.175 -5.944 1.00 0.42 C ATOM 1458 C PHE A 121 4.459 2.535 -5.173 1.00 0.40 C ATOM 1459 O PHE A 121 4.756 3.716 -4.989 1.00 0.49 O ATOM 1460 CB PHE A 121 3.163 3.013 -7.222 1.00 0.61 C ATOM 1461 CG PHE A 121 1.917 2.868 -8.051 1.00 0.49 C ATOM 1462 CD1 PHE A 121 0.797 3.636 -7.782 1.00 0.52 C ATOM 1463 CD2 PHE A 121 1.857 1.943 -9.079 1.00 0.98 C ATOM 1464 CE1 PHE A 121 -0.358 3.487 -8.524 1.00 0.96 C ATOM 1465 CE2 PHE A 121 0.707 1.794 -9.827 1.00 1.49 C ATOM 1466 CZ PHE A 121 -0.367 2.636 -9.615 1.00 1.45 C ATOM 0 H PHE A 121 1.834 3.423 -4.970 1.00 0.34 H new ATOM 0 HA PHE A 121 3.190 1.122 -6.223 1.00 0.42 H new ATOM 0 HB2 PHE A 121 3.279 4.063 -6.952 1.00 0.61 H new ATOM 0 HB3 PHE A 121 4.022 2.746 -7.838 1.00 0.61 H new ATOM 0 HD1 PHE A 121 0.827 4.361 -6.982 1.00 0.52 H new ATOM 0 HD2 PHE A 121 2.720 1.331 -9.298 1.00 0.98 H new ATOM 0 HE1 PHE A 121 -1.250 4.032 -8.254 1.00 0.96 H new ATOM 0 HE2 PHE A 121 0.647 1.020 -10.577 1.00 1.49 H new ATOM 0 HZ PHE A 121 -1.206 2.630 -10.295 1.00 1.45 H new ATOM 1476 N VAL A 122 5.181 1.542 -4.701 1.00 0.49 N ATOM 1477 CA VAL A 122 6.381 1.804 -3.937 1.00 0.61 C ATOM 1478 C VAL A 122 7.631 1.525 -4.771 1.00 0.73 C ATOM 1479 O VAL A 122 7.686 0.563 -5.537 1.00 0.95 O ATOM 1480 CB VAL A 122 6.399 1.122 -2.790 1.00 0.77 C ATOM 1481 CG1 VAL A 122 6.393 -0.385 -3.027 1.00 1.61 C ATOM 1482 CG2 VAL A 122 7.571 1.531 -1.908 1.00 1.52 C ATOM 0 H VAL A 122 4.961 0.555 -4.831 1.00 0.49 H new ATOM 0 HA VAL A 122 6.379 2.863 -3.678 1.00 0.61 H new ATOM 0 HB VAL A 122 5.482 1.376 -2.259 1.00 0.77 H new ATOM 0 HG11 VAL A 122 6.408 -0.904 -2.069 1.00 1.61 H new ATOM 0 HG12 VAL A 122 5.494 -0.663 -3.576 1.00 1.61 H new ATOM 0 HG13 VAL A 122 7.273 -0.666 -3.606 1.00 1.61 H new ATOM 0 HG21 VAL A 122 7.550 0.953 -0.984 1.00 1.52 H new ATOM 0 HG22 VAL A 122 8.506 1.340 -2.434 1.00 1.52 H new ATOM 0 HG23 VAL A 122 7.497 2.593 -1.674 1.00 1.52 H new ATOM 1492 N LYS A 123 8.588 2.434 -4.696 1.00 0.76 N ATOM 1493 CA LYS A 123 9.854 2.264 -5.376 1.00 0.97 C ATOM 1494 C LYS A 123 10.987 2.319 -4.376 1.00 1.04 C ATOM 1495 O LYS A 123 11.267 3.373 -3.810 1.00 1.02 O ATOM 1496 CB LYS A 123 10.071 3.337 -6.443 1.00 1.11 C ATOM 1497 CG LYS A 123 9.182 3.200 -7.666 1.00 1.66 C ATOM 1498 CD LYS A 123 9.686 4.082 -8.792 1.00 2.03 C ATOM 1499 CE LYS A 123 8.932 3.837 -10.087 1.00 2.74 C ATOM 1500 NZ LYS A 123 9.619 4.467 -11.244 1.00 3.45 N ATOM 0 H LYS A 123 8.508 3.302 -4.166 1.00 0.76 H new ATOM 0 HA LYS A 123 9.835 1.292 -5.868 1.00 0.97 H new ATOM 0 HB2 LYS A 123 9.902 4.316 -5.995 1.00 1.11 H new ATOM 0 HB3 LYS A 123 11.113 3.308 -6.762 1.00 1.11 H new ATOM 0 HG2 LYS A 123 9.161 2.160 -7.993 1.00 1.66 H new ATOM 0 HG3 LYS A 123 8.158 3.475 -7.411 1.00 1.66 H new ATOM 0 HD2 LYS A 123 9.584 5.129 -8.506 1.00 2.03 H new ATOM 0 HD3 LYS A 123 10.748 3.896 -8.950 1.00 2.03 H new ATOM 0 HE2 LYS A 123 8.839 2.765 -10.258 1.00 2.74 H new ATOM 0 HE3 LYS A 123 7.921 4.235 -10.002 1.00 2.74 H new ATOM 0 HZ1 LYS A 123 9.078 4.281 -12.112 1.00 3.45 H new ATOM 0 HZ2 LYS A 123 9.686 5.494 -11.091 1.00 3.45 H new ATOM 0 HZ3 LYS A 123 10.575 4.068 -11.339 1.00 3.45 H new ATOM 1514 N ARG A 124 11.623 1.188 -4.143 1.00 1.23 N ATOM 1515 CA ARG A 124 12.732 1.142 -3.214 1.00 1.40 C ATOM 1516 C ARG A 124 14.041 1.061 -3.980 1.00 1.63 C ATOM 1517 O ARG A 124 14.098 0.496 -5.075 1.00 1.81 O ATOM 1518 CB ARG A 124 12.584 -0.043 -2.237 1.00 1.65 C ATOM 1519 CG ARG A 124 12.905 -1.413 -2.830 1.00 1.97 C ATOM 1520 CD ARG A 124 14.392 -1.731 -2.728 1.00 2.31 C ATOM 1521 NE ARG A 124 14.751 -2.946 -3.451 1.00 2.83 N ATOM 1522 CZ ARG A 124 15.954 -3.167 -3.983 1.00 3.38 C ATOM 1523 NH1 ARG A 124 16.913 -2.251 -3.875 1.00 3.50 N ATOM 1524 NH2 ARG A 124 16.195 -4.307 -4.617 1.00 4.23 N ATOM 0 H ARG A 124 11.393 0.296 -4.581 1.00 1.23 H new ATOM 0 HA ARG A 124 12.732 2.056 -2.620 1.00 1.40 H new ATOM 0 HB2 ARG A 124 13.237 0.128 -1.381 1.00 1.65 H new ATOM 0 HB3 ARG A 124 11.561 -0.058 -1.860 1.00 1.65 H new ATOM 0 HG2 ARG A 124 12.331 -2.180 -2.309 1.00 1.97 H new ATOM 0 HG3 ARG A 124 12.597 -1.439 -3.875 1.00 1.97 H new ATOM 0 HD2 ARG A 124 14.968 -0.893 -3.122 1.00 2.31 H new ATOM 0 HD3 ARG A 124 14.666 -1.841 -1.679 1.00 2.31 H new ATOM 0 HE ARG A 124 14.040 -3.670 -3.556 1.00 2.83 H new ATOM 0 HH11 ARG A 124 16.730 -1.376 -3.384 1.00 3.50 H new ATOM 0 HH12 ARG A 124 17.832 -2.424 -4.283 1.00 3.50 H new ATOM 0 HH21 ARG A 124 15.461 -5.011 -4.697 1.00 4.23 H new ATOM 0 HH22 ARG A 124 17.114 -4.479 -5.025 1.00 4.23 H new ATOM 1538 N VAL A 125 15.073 1.656 -3.421 1.00 1.80 N ATOM 1539 CA VAL A 125 16.408 1.543 -3.965 1.00 2.18 C ATOM 1540 C VAL A 125 17.418 1.335 -2.834 1.00 2.76 C ATOM 1541 O VAL A 125 17.946 0.209 -2.720 1.00 3.34 O ATOM 1542 CB VAL A 125 16.721 2.589 -4.739 1.00 2.48 C ATOM 1543 CG1 VAL A 125 16.491 3.925 -4.034 1.00 3.01 C ATOM 1544 CG2 VAL A 125 18.146 2.487 -5.261 1.00 3.14 C ATOM 1545 OXT VAL A 125 17.636 2.266 -2.029 1.00 3.27 O ATOM 0 H VAL A 125 15.010 2.229 -2.580 1.00 1.80 H new ATOM 0 HA VAL A 125 16.444 0.668 -4.614 1.00 2.18 H new ATOM 0 HB VAL A 125 16.044 2.557 -5.593 1.00 2.48 H new ATOM 0 HG11 VAL A 125 16.760 4.741 -4.704 1.00 3.01 H new ATOM 0 HG12 VAL A 125 15.441 4.014 -3.757 1.00 3.01 H new ATOM 0 HG13 VAL A 125 17.108 3.974 -3.137 1.00 3.01 H new ATOM 0 HG21 VAL A 125 18.367 3.352 -5.886 1.00 3.14 H new ATOM 0 HG22 VAL A 125 18.840 2.459 -4.421 1.00 3.14 H new ATOM 0 HG23 VAL A 125 18.253 1.577 -5.851 1.00 3.14 H new TER 1555 VAL A 125 HETATM 1556 C1 HC4 A 169 -2.588 -8.412 19.212 1.00 12.02 C HETATM 1557 O1 HC4 A 169 -2.816 -7.353 19.777 1.00 12.16 O HETATM 1558 C2 HC4 A 169 -3.431 -9.705 19.329 1.00 12.51 C HETATM 1559 C3 HC4 A 169 -4.551 -9.896 20.060 1.00 13.15 C HETATM 1560 C1' HC4 A 169 -5.299 -8.989 20.938 1.00 13.58 C HETATM 1561 C2' HC4 A 169 -6.443 -9.472 21.569 1.00 14.40 C HETATM 1562 C3' HC4 A 169 -7.201 -8.674 22.406 1.00 14.99 C HETATM 1563 C4' HC4 A 169 -6.827 -7.369 22.628 1.00 14.81 C HETATM 1564 C5' HC4 A 169 -5.702 -6.863 22.021 1.00 14.03 C HETATM 1565 C6' HC4 A 169 -4.952 -7.668 21.184 1.00 13.40 C HETATM 1566 O4' HC4 A 169 -7.580 -6.566 23.457 1.00 15.56 O HETATM 0 HO4' HC4 A 169 -7.175 -5.675 23.505 1.00 15.56 H new HETATM 0 H6' HC4 A 169 -4.065 -7.254 20.705 1.00 13.40 H new HETATM 0 H5' HC4 A 169 -5.402 -5.830 22.199 1.00 14.03 H new HETATM 0 H3' HC4 A 169 -8.091 -9.077 22.888 1.00 14.99 H new HETATM 0 H3 HC4 A 169 -4.972 -10.898 19.984 1.00 13.15 H new HETATM 0 H2' HC4 A 169 -6.748 -10.504 21.399 1.00 14.40 H new HETATM 0 H2 HC4 A 169 -3.080 -10.562 18.754 1.00 12.51 H new