USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 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 55 THR OG1 : rot -17:sc= 1.32 USER MOD Set 1.2: A 57 SER OG : rot -44:sc= 0.0495 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 157:sc= 0.619 (180deg=-0.0656) USER MOD Set 3.2: A 12 THR OG1 : rot 150:sc= 0.567 USER MOD Single : A 1 MET CE :methyl -176:sc= 0 (180deg=-0.0059) USER MOD Single : A 1 MET N :NH3+ 162:sc= 2.87 (180deg=2.19) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 11 LYS NZ :NH3+ 146:sc= 1.21 (180deg=0.339!) USER MOD Single : A 14 THR OG1 : rot -76:sc= 0.0468 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0318 USER MOD Single : A 25 ASN : amide:sc= -0.354 X(o=-0.35,f=-0.0026) USER MOD Single : A 27 LYS NZ :NH3+ -161:sc= 1.55 (180deg=1.05) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc=-0.00803 K(o=-0.008,f=-1.7!) USER MOD Single : A 33 LYS NZ :NH3+ 141:sc= 0.925 (180deg=0.144) USER MOD Single : A 40 GLN : amide:sc= 0.81 K(o=0.81,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.869 K(o=0.87,f=-3.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0201 K(o=-0.02,f=-2.3!) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.76 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 83:sc= 1.22 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.233 -7.100 -4.899 1.00 9.67 N ATOM 2 CA MET A 1 11.316 -7.453 -3.436 1.00 10.38 C ATOM 3 C MET A 1 9.934 -7.776 -2.811 1.00 9.62 C ATOM 4 O MET A 1 8.937 -7.235 -3.284 1.00 9.62 O ATOM 5 CB MET A 1 12.013 -6.319 -2.624 1.00 13.77 C ATOM 6 CG MET A 1 11.298 -4.933 -2.554 1.00 16.29 C ATOM 7 SD MET A 1 12.178 -3.656 -1.520 1.00 17.17 S ATOM 8 CE MET A 1 10.817 -2.421 -1.559 1.00 16.11 C ATOM 0 H1 MET A 1 12.103 -6.608 -5.187 1.00 9.67 H new ATOM 0 H2 MET A 1 11.124 -7.969 -5.460 1.00 9.67 H new ATOM 0 H3 MET A 1 10.415 -6.479 -5.060 1.00 9.67 H new ATOM 0 HA MET A 1 11.917 -8.360 -3.380 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.155 -6.675 -1.604 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.005 -6.164 -3.048 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.185 -4.546 -3.567 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.294 -5.077 -2.154 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.137 -1.510 -1.053 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.564 -2.191 -2.594 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.941 -2.828 -1.054 1.00 16.11 H new ATOM 20 N GLN A 2 9.859 -8.677 -1.822 1.00 9.27 N ATOM 21 CA GLN A 2 8.659 -9.000 -1.052 1.00 9.07 C ATOM 22 C GLN A 2 8.377 -7.944 0.042 1.00 8.72 C ATOM 23 O GLN A 2 9.258 -7.571 0.789 1.00 8.22 O ATOM 24 CB GLN A 2 8.937 -10.360 -0.392 1.00 14.46 C ATOM 25 CG GLN A 2 7.738 -10.893 0.418 1.00 17.01 C ATOM 26 CD GLN A 2 8.067 -12.284 0.969 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.579 -12.458 2.063 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.732 -13.324 0.111 1.00 19.49 N ATOM 0 H GLN A 2 10.670 -9.222 -1.527 1.00 9.27 H new ATOM 0 HA GLN A 2 7.785 -9.020 -1.703 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.199 -11.085 -1.163 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.801 -10.268 0.266 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.508 -10.212 1.237 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.852 -10.942 -0.215 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.305 -13.122 -0.793 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.913 -14.290 0.385 1.00 19.49 H new ATOM 37 N ILE A 3 7.118 -7.468 0.145 1.00 5.87 N ATOM 38 CA ILE A 3 6.578 -6.683 1.158 1.00 5.07 C ATOM 39 C ILE A 3 5.184 -7.220 1.429 1.00 4.01 C ATOM 40 O ILE A 3 4.638 -7.869 0.533 1.00 4.61 O ATOM 41 CB ILE A 3 6.364 -5.186 0.862 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.677 -5.022 -0.473 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.817 -4.520 0.904 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.095 -3.634 -0.671 1.00 10.83 C ATOM 0 H ILE A 3 6.425 -7.672 -0.575 1.00 5.87 H new ATOM 0 HA ILE A 3 7.307 -6.741 1.967 1.00 5.07 H new ATOM 0 HB ILE A 3 5.716 -4.698 1.590 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.390 -5.229 -1.271 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.880 -5.760 -0.559 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.734 -3.452 0.701 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.257 -4.668 1.890 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.452 -4.985 0.150 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.615 -3.577 -1.648 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.359 -3.434 0.108 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.893 -2.894 -0.615 1.00 10.83 H new ATOM 56 N PHE A 4 4.621 -6.970 2.620 1.00 4.55 N ATOM 57 CA PHE A 4 3.312 -7.460 2.985 1.00 4.68 C ATOM 58 C PHE A 4 2.266 -6.292 3.138 1.00 5.30 C ATOM 59 O PHE A 4 2.563 -5.270 3.751 1.00 5.58 O ATOM 60 CB PHE A 4 3.459 -8.206 4.368 1.00 4.83 C ATOM 61 CG PHE A 4 4.556 -9.263 4.294 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.195 -10.413 3.579 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.744 -9.182 4.970 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.118 -11.443 3.534 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.680 -10.199 4.815 1.00 10.61 C ATOM 66 CZ PHE A 4 6.398 -11.346 4.092 1.00 8.90 C ATOM 0 H PHE A 4 5.074 -6.419 3.350 1.00 4.55 H new ATOM 0 HA PHE A 4 2.947 -8.122 2.200 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.692 -7.486 5.153 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.512 -8.675 4.637 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.238 -10.492 3.085 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.951 -8.340 5.614 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.838 -12.365 3.046 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.653 -10.091 5.271 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.131 -12.129 3.965 1.00 8.90 H new ATOM 76 N VAL A 5 1.013 -6.584 2.671 1.00 4.44 N ATOM 77 CA VAL A 5 -0.084 -5.649 2.830 1.00 3.87 C ATOM 78 C VAL A 5 -1.002 -6.255 3.842 1.00 4.93 C ATOM 79 O VAL A 5 -1.297 -7.482 3.724 1.00 6.84 O ATOM 80 CB VAL A 5 -0.848 -5.385 1.553 1.00 2.99 C ATOM 81 CG1 VAL A 5 -2.080 -4.468 1.789 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.145 -4.698 0.678 1.00 9.13 C ATOM 0 H VAL A 5 0.767 -7.451 2.193 1.00 4.44 H new ATOM 0 HA VAL A 5 0.317 -4.683 3.136 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.245 -6.304 1.123 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.599 -4.305 0.844 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.758 -4.944 2.498 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.749 -3.510 2.191 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.317 -4.462 -0.281 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.476 -3.777 1.157 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.002 -5.352 0.517 1.00 9.13 H new ATOM 92 N LYS A 6 -1.402 -5.466 4.899 1.00 6.04 N ATOM 93 CA LYS A 6 -2.196 -6.110 5.974 1.00 6.12 C ATOM 94 C LYS A 6 -3.504 -5.413 6.196 1.00 6.57 C ATOM 95 O LYS A 6 -3.577 -4.273 6.577 1.00 5.76 O ATOM 96 CB LYS A 6 -1.359 -6.190 7.247 1.00 7.45 C ATOM 97 CG LYS A 6 -1.729 -7.280 8.207 1.00 11.12 C ATOM 98 CD LYS A 6 -0.815 -7.356 9.454 1.00 14.54 C ATOM 99 CE LYS A 6 -0.926 -8.748 10.144 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.181 -9.741 9.407 1.00 20.55 N ATOM 0 H LYS A 6 -1.203 -4.472 5.016 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.449 -7.124 5.665 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.314 -6.321 6.964 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.431 -5.235 7.767 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.759 -7.130 8.532 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -1.696 -8.237 7.686 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.219 -7.172 9.163 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.092 -6.573 10.160 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.548 -8.685 11.164 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.973 -9.045 10.209 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.066 -10.529 10.039 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.761 -10.096 8.620 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.689 -9.314 9.031 1.00 20.55 H new ATOM 114 N THR A 7 -4.623 -6.081 5.929 1.00 7.41 N ATOM 115 CA THR A 7 -5.997 -5.517 5.835 1.00 7.48 C ATOM 116 C THR A 7 -6.850 -5.480 7.125 1.00 8.75 C ATOM 117 O THR A 7 -6.457 -6.127 8.097 1.00 8.58 O ATOM 118 CB THR A 7 -6.792 -6.031 4.605 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.325 -7.277 4.879 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.935 -6.126 3.311 1.00 9.17 C ATOM 0 H THR A 7 -4.612 -7.087 5.761 1.00 7.41 H new ATOM 0 HA THR A 7 -5.781 -4.461 5.674 1.00 7.48 H new ATOM 0 HB THR A 7 -7.578 -5.299 4.421 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.827 -7.596 4.100 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.553 -6.492 2.491 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.545 -5.140 3.059 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.105 -6.813 3.474 1.00 9.17 H new ATOM 128 N LEU A 8 -7.869 -4.659 7.048 1.00 9.84 N ATOM 129 CA LEU A 8 -8.772 -4.513 8.195 1.00 14.15 C ATOM 130 C LEU A 8 -9.468 -5.791 8.690 1.00 17.37 C ATOM 131 O LEU A 8 -9.828 -5.890 9.841 1.00 17.01 O ATOM 132 CB LEU A 8 -9.969 -3.517 7.858 1.00 16.63 C ATOM 133 CG LEU A 8 -9.521 -2.118 7.339 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.742 -1.197 7.082 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.646 -1.431 8.431 1.00 18.59 C ATOM 0 H LEU A 8 -8.102 -4.090 6.234 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.092 -4.160 8.970 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.610 -3.980 7.108 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.574 -3.381 8.754 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.971 -2.264 6.409 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.397 -0.228 6.721 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.391 -1.653 6.334 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.297 -1.061 8.010 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.327 -0.450 8.078 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.229 -1.315 9.345 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.770 -2.046 8.635 1.00 18.59 H new ATOM 147 N THR A 9 -9.705 -6.753 7.816 1.00 18.33 N ATOM 148 CA THR A 9 -10.442 -8.012 8.121 1.00 19.24 C ATOM 149 C THR A 9 -9.429 -9.059 8.608 1.00 19.48 C ATOM 150 O THR A 9 -9.731 -10.160 9.146 1.00 23.14 O ATOM 151 CB THR A 9 -11.110 -8.647 6.940 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.238 -8.972 5.886 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.095 -7.615 6.389 1.00 19.70 C ATOM 0 H THR A 9 -9.392 -6.700 6.847 1.00 18.33 H new ATOM 0 HA THR A 9 -11.204 -7.731 8.848 1.00 19.24 H new ATOM 0 HB THR A 9 -11.562 -9.577 7.285 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.746 -9.382 5.156 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.610 -8.030 5.523 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.824 -7.361 7.158 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.553 -6.717 6.093 1.00 19.70 H new ATOM 161 N GLY A 10 -8.162 -8.711 8.528 1.00 19.43 N ATOM 162 CA GLY A 10 -7.065 -9.448 9.208 1.00 18.74 C ATOM 163 C GLY A 10 -6.329 -10.337 8.278 1.00 17.62 C ATOM 164 O GLY A 10 -5.371 -10.975 8.690 1.00 19.74 O ATOM 0 H GLY A 10 -7.840 -7.906 7.991 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.371 -8.735 9.652 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.479 -10.041 10.024 1.00 18.74 H new ATOM 168 N LYS A 11 -6.872 -10.475 7.009 1.00 13.56 N ATOM 169 CA LYS A 11 -6.199 -11.063 5.885 1.00 11.91 C ATOM 170 C LYS A 11 -4.816 -10.330 5.676 1.00 10.18 C ATOM 171 O LYS A 11 -4.627 -9.111 5.855 1.00 9.10 O ATOM 172 CB LYS A 11 -7.032 -10.835 4.577 1.00 13.43 C ATOM 173 CG LYS A 11 -6.609 -11.653 3.329 1.00 16.69 C ATOM 174 CD LYS A 11 -7.649 -11.452 2.182 1.00 17.92 C ATOM 175 CE LYS A 11 -7.377 -12.565 1.167 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.290 -12.403 0.027 1.00 21.93 N ATOM 0 H LYS A 11 -7.815 -10.158 6.784 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.069 -12.128 6.077 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.076 -11.062 4.795 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.982 -9.776 4.322 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.621 -11.337 2.995 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.536 -12.710 3.584 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.668 -11.513 2.564 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.539 -10.470 1.723 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.341 -12.523 0.830 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.522 -13.541 1.630 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.811 -12.701 -0.847 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.137 -12.988 0.175 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.569 -11.405 -0.055 1.00 21.93 H new ATOM 190 N THR A 12 -3.767 -11.071 5.182 1.00 9.63 N ATOM 191 CA THR A 12 -2.442 -10.523 4.816 1.00 9.85 C ATOM 192 C THR A 12 -2.106 -10.833 3.422 1.00 11.66 C ATOM 193 O THR A 12 -2.107 -12.001 3.047 1.00 12.33 O ATOM 194 CB THR A 12 -1.281 -10.937 5.736 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.667 -10.987 7.123 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.088 -9.951 5.575 1.00 9.63 C ATOM 0 H THR A 12 -3.835 -12.077 5.031 1.00 9.63 H new ATOM 0 HA THR A 12 -2.554 -9.447 4.948 1.00 9.85 H new ATOM 0 HB THR A 12 -0.985 -11.941 5.434 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.132 -11.665 7.587 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.727 -10.256 6.232 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.256 -9.962 4.541 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.410 -8.944 5.840 1.00 9.63 H new ATOM 204 N ILE A 13 -1.696 -9.873 2.585 1.00 10.42 N ATOM 205 CA ILE A 13 -1.476 -10.118 1.175 1.00 11.84 C ATOM 206 C ILE A 13 -0.062 -9.792 0.812 1.00 10.55 C ATOM 207 O ILE A 13 0.462 -8.705 0.948 1.00 11.92 O ATOM 208 CB ILE A 13 -2.419 -9.164 0.379 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.901 -9.282 0.846 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.195 -9.306 -1.149 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.699 -8.097 0.471 1.00 16.46 C ATOM 0 H ILE A 13 -1.511 -8.913 2.875 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.674 -11.165 0.944 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.152 -8.133 0.611 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.349 -10.174 0.407 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.930 -9.410 1.928 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.865 -8.630 -1.679 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.162 -9.056 -1.390 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.400 -10.332 -1.453 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.725 -8.225 0.817 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.269 -7.208 0.932 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.694 -7.983 -0.613 1.00 16.46 H new ATOM 223 N THR A 14 0.704 -10.826 0.329 1.00 9.39 N ATOM 224 CA THR A 14 2.073 -10.739 -0.176 1.00 9.63 C ATOM 225 C THR A 14 2.240 -10.121 -1.529 1.00 11.20 C ATOM 226 O THR A 14 1.584 -10.590 -2.431 1.00 11.63 O ATOM 227 CB THR A 14 2.834 -12.085 -0.082 1.00 10.38 C ATOM 228 OG1 THR A 14 2.604 -12.601 1.178 1.00 16.30 O ATOM 229 CG2 THR A 14 4.315 -11.980 -0.237 1.00 11.66 C ATOM 0 H THR A 14 0.343 -11.779 0.290 1.00 9.39 H new ATOM 0 HA THR A 14 2.533 -10.028 0.510 1.00 9.63 H new ATOM 0 HB THR A 14 2.468 -12.704 -0.901 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.142 -12.112 1.835 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.760 -12.972 -0.157 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.549 -11.555 -1.213 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.718 -11.337 0.545 1.00 11.66 H new ATOM 237 N LEU A 15 3.149 -9.074 -1.704 1.00 8.29 N ATOM 238 CA LEU A 15 3.276 -8.380 -2.957 1.00 9.03 C ATOM 239 C LEU A 15 4.726 -8.490 -3.387 1.00 8.59 C ATOM 240 O LEU A 15 5.623 -8.864 -2.623 1.00 7.79 O ATOM 241 CB LEU A 15 2.935 -6.835 -2.951 1.00 11.08 C ATOM 242 CG LEU A 15 1.410 -6.533 -2.767 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.117 -5.038 -3.034 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.574 -7.409 -3.773 1.00 15.27 C ATOM 0 H LEU A 15 3.773 -8.735 -0.972 1.00 8.29 H new ATOM 0 HA LEU A 15 2.548 -8.850 -3.618 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.492 -6.351 -2.149 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.275 -6.392 -3.887 1.00 11.08 H new ATOM 0 HG LEU A 15 1.130 -6.773 -1.741 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.052 -4.847 -2.901 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.686 -4.425 -2.335 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.406 -4.787 -4.054 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.488 -7.198 -3.644 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.870 -7.171 -4.795 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.760 -8.465 -3.578 1.00 15.27 H new ATOM 256 N GLU A 16 4.993 -8.189 -4.665 1.00 11.04 N ATOM 257 CA GLU A 16 6.368 -8.154 -5.188 1.00 11.50 C ATOM 258 C GLU A 16 6.534 -6.760 -5.914 1.00 10.13 C ATOM 259 O GLU A 16 5.670 -6.472 -6.780 1.00 9.83 O ATOM 260 CB GLU A 16 6.497 -9.273 -6.193 1.00 17.22 C ATOM 261 CG GLU A 16 7.966 -9.529 -6.776 1.00 23.33 C ATOM 262 CD GLU A 16 9.129 -9.634 -5.880 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.918 -10.390 -4.854 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.261 -9.207 -6.180 1.00 28.90 O ATOM 0 H GLU A 16 4.277 -7.966 -5.356 1.00 11.04 H new ATOM 0 HA GLU A 16 7.121 -8.272 -4.409 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.147 -10.194 -5.728 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.828 -9.064 -7.028 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.924 -10.452 -7.354 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.176 -8.722 -7.478 1.00 23.33 H new ATOM 271 N VAL A 17 7.455 -5.873 -5.538 1.00 8.99 N ATOM 272 CA VAL A 17 7.576 -4.498 -5.985 1.00 8.85 C ATOM 273 C VAL A 17 9.066 -4.180 -6.022 1.00 8.04 C ATOM 274 O VAL A 17 9.853 -4.988 -5.553 1.00 8.99 O ATOM 275 CB VAL A 17 6.919 -3.501 -5.007 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.451 -3.444 -5.300 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.206 -3.924 -3.530 1.00 10.54 C ATOM 0 H VAL A 17 8.183 -6.120 -4.867 1.00 8.99 H new ATOM 0 HA VAL A 17 7.082 -4.400 -6.952 1.00 8.85 H new ATOM 0 HB VAL A 17 7.340 -2.504 -5.138 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.971 -2.743 -4.617 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.298 -3.113 -6.327 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.015 -4.434 -5.169 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.737 -3.213 -2.850 1.00 10.54 H new ATOM 0 HG22 VAL A 17 6.799 -4.919 -3.351 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.282 -3.936 -3.357 1.00 10.54 H new ATOM 287 N GLU A 18 9.417 -3.071 -6.702 1.00 7.29 N ATOM 288 CA GLU A 18 10.803 -2.536 -6.601 1.00 7.08 C ATOM 289 C GLU A 18 10.934 -1.091 -6.125 1.00 6.45 C ATOM 290 O GLU A 18 10.070 -0.356 -6.519 1.00 5.28 O ATOM 291 CB GLU A 18 11.615 -2.707 -7.952 1.00 10.28 C ATOM 292 CG GLU A 18 12.093 -4.165 -8.195 1.00 12.65 C ATOM 293 CD GLU A 18 13.122 -4.561 -7.148 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.868 -4.866 -5.946 1.00 14.33 O ATOM 295 OE2 GLU A 18 14.297 -4.563 -7.624 1.00 18.17 O ATOM 0 H GLU A 18 8.792 -2.540 -7.308 1.00 7.29 H new ATOM 0 HA GLU A 18 11.233 -3.156 -5.814 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.990 -2.392 -8.787 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.481 -2.045 -7.935 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.243 -4.846 -8.155 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.525 -4.252 -9.192 1.00 12.65 H new ATOM 302 N PRO A 19 12.009 -0.665 -5.342 1.00 7.24 N ATOM 303 CA PRO A 19 12.178 0.629 -4.628 1.00 7.07 C ATOM 304 C PRO A 19 11.610 1.928 -5.333 1.00 6.65 C ATOM 305 O PRO A 19 11.015 2.813 -4.688 1.00 6.37 O ATOM 306 CB PRO A 19 13.661 0.621 -4.291 1.00 7.61 C ATOM 307 CG PRO A 19 13.930 -0.856 -3.966 1.00 8.16 C ATOM 308 CD PRO A 19 13.030 -1.651 -4.867 1.00 7.49 C ATOM 0 HA PRO A 19 11.546 0.698 -3.743 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.267 0.968 -5.128 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.886 1.269 -3.444 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.976 -1.109 -4.139 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.719 -1.069 -2.918 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.584 -2.082 -5.701 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.564 -2.479 -4.332 1.00 7.49 H new ATOM 316 N SER A 20 11.810 2.130 -6.678 1.00 6.80 N ATOM 317 CA SER A 20 11.469 3.347 -7.368 1.00 6.28 C ATOM 318 C SER A 20 10.081 3.370 -7.856 1.00 8.45 C ATOM 319 O SER A 20 9.500 4.435 -8.170 1.00 7.26 O ATOM 320 CB SER A 20 12.342 3.716 -8.631 1.00 8.57 C ATOM 321 OG SER A 20 13.697 3.874 -8.237 1.00 11.13 O ATOM 0 H SER A 20 12.219 1.422 -7.287 1.00 6.80 H new ATOM 0 HA SER A 20 11.656 4.071 -6.575 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.260 2.933 -9.385 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.974 4.636 -9.085 1.00 8.57 H new ATOM 0 HG SER A 20 14.241 4.101 -9.020 1.00 11.13 H new ATOM 327 N ASP A 21 9.345 2.276 -7.770 1.00 7.50 N ATOM 328 CA ASP A 21 7.963 2.272 -8.163 1.00 7.70 C ATOM 329 C ASP A 21 7.065 2.852 -7.130 1.00 7.08 C ATOM 330 O ASP A 21 7.244 2.822 -5.928 1.00 8.11 O ATOM 331 CB ASP A 21 7.536 0.827 -8.517 1.00 11.00 C ATOM 332 CG ASP A 21 8.030 0.252 -9.870 1.00 15.32 C ATOM 333 OD1 ASP A 21 9.248 0.479 -10.138 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.254 -0.329 -10.659 1.00 18.03 O ATOM 0 H ASP A 21 9.691 1.379 -7.429 1.00 7.50 H new ATOM 0 HA ASP A 21 7.866 2.913 -9.040 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.885 0.168 -7.722 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.447 0.786 -8.510 1.00 11.00 H new ATOM 339 N THR A 22 5.911 3.478 -7.537 1.00 5.37 N ATOM 340 CA THR A 22 5.154 4.367 -6.616 1.00 6.01 C ATOM 341 C THR A 22 4.183 3.675 -5.650 1.00 8.01 C ATOM 342 O THR A 22 3.792 2.528 -5.832 1.00 8.11 O ATOM 343 CB THR A 22 4.340 5.318 -7.473 1.00 8.92 C ATOM 344 OG1 THR A 22 3.711 4.695 -8.586 1.00 10.22 O ATOM 345 CG2 THR A 22 5.360 6.362 -8.036 1.00 9.65 C ATOM 0 H THR A 22 5.504 3.382 -8.467 1.00 5.37 H new ATOM 0 HA THR A 22 5.904 4.846 -5.986 1.00 6.01 H new ATOM 0 HB THR A 22 3.546 5.741 -6.858 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.204 5.364 -9.092 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.835 7.080 -8.666 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.838 6.886 -7.209 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.118 5.848 -8.627 1.00 9.65 H new ATOM 353 N ILE A 23 3.715 4.377 -4.655 1.00 8.32 N ATOM 354 CA ILE A 23 2.711 3.935 -3.679 1.00 9.92 C ATOM 355 C ILE A 23 1.376 3.763 -4.402 1.00 10.01 C ATOM 356 O ILE A 23 0.544 2.925 -4.093 1.00 8.71 O ATOM 357 CB ILE A 23 2.663 5.013 -2.596 1.00 10.78 C ATOM 358 CG1 ILE A 23 4.052 5.132 -1.853 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.544 4.565 -1.639 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.610 3.847 -1.190 1.00 12.30 C ATOM 0 H ILE A 23 4.031 5.330 -4.478 1.00 8.32 H new ATOM 0 HA ILE A 23 2.949 2.976 -3.218 1.00 9.92 H new ATOM 0 HB ILE A 23 2.466 6.003 -3.008 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.790 5.490 -2.571 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.959 5.897 -1.082 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.446 5.289 -0.830 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.603 4.501 -2.185 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.790 3.588 -1.224 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.567 4.068 -0.716 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.906 3.491 -0.438 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.750 3.077 -1.949 1.00 12.30 H new ATOM 372 N GLU A 24 1.153 4.549 -5.464 1.00 9.54 N ATOM 373 CA GLU A 24 -0.004 4.407 -6.401 1.00 11.81 C ATOM 374 C GLU A 24 -0.010 3.023 -7.126 1.00 11.14 C ATOM 375 O GLU A 24 -1.024 2.377 -7.338 1.00 10.62 O ATOM 376 CB GLU A 24 0.088 5.530 -7.498 1.00 19.24 C ATOM 377 CG GLU A 24 -1.141 5.655 -8.413 1.00 27.76 C ATOM 378 CD GLU A 24 -0.971 6.616 -9.601 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.373 6.252 -10.615 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.634 7.720 -9.556 1.00 36.51 O ATOM 0 H GLU A 24 1.774 5.319 -5.713 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.917 4.492 -5.811 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.251 6.487 -7.002 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.964 5.339 -8.118 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.391 4.666 -8.798 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.989 5.988 -7.814 1.00 27.76 H new ATOM 387 N ASN A 25 1.207 2.604 -7.529 1.00 9.43 N ATOM 388 CA ASN A 25 1.508 1.292 -8.088 1.00 10.96 C ATOM 389 C ASN A 25 1.309 0.101 -7.044 1.00 9.68 C ATOM 390 O ASN A 25 1.038 -0.995 -7.516 1.00 9.33 O ATOM 391 CB ASN A 25 2.912 1.437 -8.775 1.00 16.78 C ATOM 392 CG ASN A 25 3.293 0.226 -9.541 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.854 -0.209 -10.579 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.275 -0.486 -8.953 1.00 24.70 N ATOM 0 H ASN A 25 2.031 3.201 -7.467 1.00 9.43 H new ATOM 0 HA ASN A 25 0.793 0.979 -8.849 1.00 10.96 H new ATOM 0 HB2 ASN A 25 2.899 2.298 -9.444 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.667 1.635 -8.014 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.611 -1.346 -9.386 1.00 24.70 H new ATOM 0 HD22 ASN A 25 4.682 -0.165 -8.075 1.00 24.70 H new ATOM 401 N VAL A 26 1.369 0.310 -5.721 1.00 6.52 N ATOM 402 CA VAL A 26 1.112 -0.727 -4.760 1.00 5.53 C ATOM 403 C VAL A 26 -0.400 -1.051 -4.802 1.00 4.42 C ATOM 404 O VAL A 26 -0.873 -2.148 -4.837 1.00 3.40 O ATOM 405 CB VAL A 26 1.525 -0.380 -3.369 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.314 -1.513 -2.296 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.003 0.052 -3.392 1.00 8.12 C ATOM 0 H VAL A 26 1.599 1.212 -5.305 1.00 6.52 H new ATOM 0 HA VAL A 26 1.717 -1.591 -5.034 1.00 5.53 H new ATOM 0 HB VAL A 26 0.865 0.427 -3.050 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.646 -1.157 -1.321 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.257 -1.775 -2.246 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.893 -2.393 -2.577 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.322 0.310 -2.382 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.616 -0.767 -3.769 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.118 0.920 -4.042 1.00 8.12 H new ATOM 417 N LYS A 27 -1.224 -0.004 -4.805 1.00 2.64 N ATOM 418 CA LYS A 27 -2.676 -0.034 -4.927 1.00 4.14 C ATOM 419 C LYS A 27 -3.288 -0.642 -6.191 1.00 5.58 C ATOM 420 O LYS A 27 -4.311 -1.312 -6.174 1.00 4.11 O ATOM 421 CB LYS A 27 -3.275 1.333 -4.677 1.00 3.97 C ATOM 422 CG LYS A 27 -2.912 2.018 -3.306 1.00 7.45 C ATOM 423 CD LYS A 27 -3.502 3.416 -3.144 1.00 9.02 C ATOM 424 CE LYS A 27 -2.949 4.114 -1.863 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.510 5.474 -1.700 1.00 15.47 N ATOM 0 H LYS A 27 -0.869 0.948 -4.716 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.947 -0.746 -4.147 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.961 1.996 -5.483 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.360 1.247 -4.739 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.265 1.387 -2.490 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.827 2.078 -3.216 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.265 4.018 -4.021 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.589 3.351 -3.086 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.191 3.512 -0.987 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.862 4.172 -1.920 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.908 6.023 -1.054 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.547 5.948 -2.625 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.470 5.408 -1.306 1.00 15.47 H new ATOM 439 N ALA A 28 -2.617 -0.405 -7.363 1.00 6.61 N ATOM 440 CA ALA A 28 -2.866 -1.168 -8.494 1.00 7.74 C ATOM 441 C ALA A 28 -2.595 -2.655 -8.412 1.00 9.17 C ATOM 442 O ALA A 28 -3.459 -3.417 -8.863 1.00 11.45 O ATOM 443 CB ALA A 28 -1.962 -0.489 -9.489 1.00 7.68 C ATOM 0 H ALA A 28 -1.912 0.322 -7.485 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.931 -1.189 -8.726 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.046 -0.986 -10.455 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.254 0.556 -9.592 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.931 -0.545 -9.141 1.00 7.68 H new ATOM 449 N LYS A 29 -1.541 -3.112 -7.790 1.00 8.96 N ATOM 450 CA LYS A 29 -1.380 -4.530 -7.496 1.00 7.90 C ATOM 451 C LYS A 29 -2.393 -5.081 -6.530 1.00 6.92 C ATOM 452 O LYS A 29 -2.857 -6.187 -6.777 1.00 6.87 O ATOM 453 CB LYS A 29 0.054 -4.812 -6.918 1.00 10.28 C ATOM 454 CG LYS A 29 1.168 -4.494 -7.898 1.00 14.94 C ATOM 455 CD LYS A 29 2.543 -4.730 -7.324 1.00 19.69 C ATOM 456 CE LYS A 29 3.690 -4.341 -8.291 1.00 22.63 C ATOM 457 NZ LYS A 29 3.872 -5.374 -9.341 1.00 24.98 N ATOM 0 H LYS A 29 -0.770 -2.526 -7.471 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.532 -5.035 -8.450 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.196 -4.222 -6.013 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.122 -5.861 -6.629 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.044 -5.105 -8.792 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.084 -3.453 -8.210 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.646 -4.159 -6.402 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.642 -5.783 -7.060 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.469 -3.380 -8.755 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.617 -4.219 -7.731 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.645 -5.091 -9.976 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.105 -6.284 -8.896 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.993 -5.472 -9.888 1.00 24.98 H new ATOM 471 N ILE A 30 -2.849 -4.373 -5.474 1.00 4.57 N ATOM 472 CA ILE A 30 -4.021 -4.794 -4.617 1.00 5.58 C ATOM 473 C ILE A 30 -5.311 -4.780 -5.343 1.00 7.26 C ATOM 474 O ILE A 30 -6.083 -5.765 -5.228 1.00 9.46 O ATOM 475 CB ILE A 30 -4.058 -3.979 -3.310 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.870 -4.311 -2.345 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.425 -4.101 -2.597 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.563 -5.780 -2.008 1.00 2.00 C ATOM 0 H ILE A 30 -2.428 -3.493 -5.177 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.867 -5.839 -4.349 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.929 -2.937 -3.601 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.967 -3.878 -2.776 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -3.056 -3.791 -1.405 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.411 -3.512 -1.680 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.212 -3.731 -3.254 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.617 -5.146 -2.354 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.712 -5.827 -1.329 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -3.433 -6.234 -1.532 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.327 -6.322 -2.924 1.00 2.00 H new ATOM 490 N GLN A 31 -5.547 -3.796 -6.227 1.00 7.06 N ATOM 491 CA GLN A 31 -6.669 -3.842 -7.116 1.00 8.67 C ATOM 492 C GLN A 31 -6.689 -5.042 -8.052 1.00 10.90 C ATOM 493 O GLN A 31 -7.738 -5.669 -8.266 1.00 9.63 O ATOM 494 CB GLN A 31 -6.705 -2.508 -7.996 1.00 9.12 C ATOM 495 CG GLN A 31 -7.848 -2.452 -9.026 1.00 10.76 C ATOM 496 CD GLN A 31 -7.634 -1.319 -10.041 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.638 -0.636 -9.988 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.699 -0.999 -10.815 1.00 14.76 N ATOM 0 H GLN A 31 -4.962 -2.967 -6.328 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.547 -3.934 -6.476 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.792 -1.650 -7.329 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.755 -2.409 -8.521 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.914 -3.405 -9.551 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.797 -2.306 -8.511 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.519 -1.605 -10.829 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.680 -0.152 -11.383 1.00 14.76 H new ATOM 507 N ASP A 32 -5.583 -5.424 -8.616 1.00 10.93 N ATOM 508 CA ASP A 32 -5.428 -6.582 -9.444 1.00 14.01 C ATOM 509 C ASP A 32 -5.612 -7.929 -8.726 1.00 14.04 C ATOM 510 O ASP A 32 -6.231 -8.927 -9.196 1.00 13.39 O ATOM 511 CB ASP A 32 -4.078 -6.513 -10.144 1.00 18.01 C ATOM 512 CG ASP A 32 -3.932 -7.517 -11.210 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.909 -7.843 -11.965 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.876 -8.125 -11.303 1.00 26.29 O ATOM 0 H ASP A 32 -4.713 -4.904 -8.504 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.243 -6.555 -10.168 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.945 -5.518 -10.569 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.286 -6.654 -9.409 1.00 18.01 H new ATOM 519 N LYS A 33 -5.086 -7.982 -7.489 1.00 14.22 N ATOM 520 CA LYS A 33 -5.257 -9.194 -6.625 1.00 14.00 C ATOM 521 C LYS A 33 -6.666 -9.385 -6.019 1.00 12.37 C ATOM 522 O LYS A 33 -7.272 -10.426 -6.072 1.00 12.17 O ATOM 523 CB LYS A 33 -4.298 -9.183 -5.462 1.00 18.62 C ATOM 524 CG LYS A 33 -2.852 -9.470 -5.891 1.00 24.00 C ATOM 525 CD LYS A 33 -2.078 -10.341 -4.851 1.00 27.61 C ATOM 526 CE LYS A 33 -0.682 -10.785 -5.236 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.171 -11.884 -4.347 1.00 30.06 N ATOM 0 H LYS A 33 -4.550 -7.227 -7.061 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.066 -10.013 -7.319 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.341 -8.212 -4.968 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.611 -9.927 -4.730 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.857 -9.980 -6.854 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.325 -8.526 -6.033 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.011 -9.778 -3.920 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.672 -11.231 -4.644 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.684 -11.128 -6.271 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.004 -9.933 -5.184 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.360 -12.573 -4.917 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.454 -11.480 -3.620 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.973 -12.360 -3.888 1.00 30.06 H new ATOM 541 N GLU A 34 -7.176 -8.313 -5.354 1.00 10.11 N ATOM 542 CA GLU A 34 -8.376 -8.375 -4.495 1.00 10.07 C ATOM 543 C GLU A 34 -9.672 -7.805 -5.051 1.00 9.32 C ATOM 544 O GLU A 34 -10.777 -8.087 -4.583 1.00 11.61 O ATOM 545 CB GLU A 34 -8.058 -7.676 -3.158 1.00 14.77 C ATOM 546 CG GLU A 34 -7.013 -8.400 -2.270 1.00 18.75 C ATOM 547 CD GLU A 34 -7.425 -9.797 -1.764 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.401 -9.910 -0.964 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.796 -10.794 -2.210 1.00 25.19 O ATOM 0 H GLU A 34 -6.761 -7.383 -5.403 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.580 -9.441 -4.397 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.698 -6.669 -3.369 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.983 -7.571 -2.591 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.086 -8.496 -2.835 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.796 -7.770 -1.407 1.00 18.75 H new ATOM 556 N GLY A 35 -9.502 -7.017 -6.107 1.00 7.22 N ATOM 557 CA GLY A 35 -10.565 -6.259 -6.751 1.00 6.29 C ATOM 558 C GLY A 35 -11.000 -4.972 -6.016 1.00 6.93 C ATOM 559 O GLY A 35 -12.043 -4.404 -6.368 1.00 7.41 O ATOM 0 H GLY A 35 -8.593 -6.885 -6.551 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.239 -5.991 -7.756 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.435 -6.906 -6.860 1.00 6.29 H new ATOM 563 N ILE A 36 -10.244 -4.454 -5.047 1.00 5.86 N ATOM 564 CA ILE A 36 -10.481 -3.176 -4.379 1.00 6.07 C ATOM 565 C ILE A 36 -10.173 -1.899 -5.286 1.00 6.36 C ATOM 566 O ILE A 36 -9.025 -1.686 -5.706 1.00 6.18 O ATOM 567 CB ILE A 36 -9.575 -3.151 -3.098 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.771 -4.367 -2.144 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.107 -1.872 -2.328 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.713 -4.605 -1.062 1.00 9.49 C ATOM 0 H ILE A 36 -9.417 -4.934 -4.693 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.543 -3.109 -4.141 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.523 -3.162 -3.383 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.736 -4.252 -1.649 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.832 -5.267 -2.756 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.545 -1.745 -1.402 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.978 -0.990 -2.955 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.164 -2.001 -2.096 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.983 -5.484 -0.477 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.742 -4.765 -1.531 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.660 -3.735 -0.407 1.00 9.49 H new ATOM 582 N PRO A 37 -11.094 -0.948 -5.570 1.00 8.65 N ATOM 583 CA PRO A 37 -10.871 0.358 -6.128 1.00 9.18 C ATOM 584 C PRO A 37 -9.818 1.187 -5.425 1.00 9.85 C ATOM 585 O PRO A 37 -10.040 1.437 -4.225 1.00 8.51 O ATOM 586 CB PRO A 37 -12.220 1.049 -5.899 1.00 11.42 C ATOM 587 CG PRO A 37 -13.202 -0.118 -6.132 1.00 9.27 C ATOM 588 CD PRO A 37 -12.542 -1.283 -5.427 1.00 8.33 C ATOM 0 HA PRO A 37 -10.523 0.265 -7.157 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -12.304 1.463 -4.894 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -12.385 1.870 -6.597 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -14.186 0.097 -5.716 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.342 -0.319 -7.194 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.844 -1.352 -4.382 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.789 -2.236 -5.894 1.00 8.33 H new ATOM 596 N PRO A 38 -8.708 1.658 -5.990 1.00 8.71 N ATOM 597 CA PRO A 38 -7.685 2.490 -5.385 1.00 9.08 C ATOM 598 C PRO A 38 -8.181 3.739 -4.613 1.00 9.28 C ATOM 599 O PRO A 38 -7.458 4.172 -3.683 1.00 6.50 O ATOM 600 CB PRO A 38 -6.619 2.736 -6.473 1.00 10.31 C ATOM 601 CG PRO A 38 -6.810 1.561 -7.446 1.00 10.81 C ATOM 602 CD PRO A 38 -8.309 1.244 -7.332 1.00 12.00 C ATOM 0 HA PRO A 38 -7.235 1.962 -4.544 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.768 3.695 -6.970 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.613 2.748 -6.052 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.533 1.834 -8.464 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.196 0.705 -7.167 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.880 1.779 -8.091 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.495 0.181 -7.484 1.00 12.00 H new ATOM 610 N ASP A 39 -9.393 4.324 -4.847 1.00 11.20 N ATOM 611 CA ASP A 39 -9.897 5.461 -4.125 1.00 14.96 C ATOM 612 C ASP A 39 -10.149 4.999 -2.644 1.00 13.99 C ATOM 613 O ASP A 39 -9.868 5.709 -1.665 1.00 13.75 O ATOM 614 CB ASP A 39 -11.264 5.949 -4.771 1.00 24.16 C ATOM 615 CG ASP A 39 -11.878 7.181 -4.172 1.00 31.06 C ATOM 616 OD1 ASP A 39 -11.256 8.251 -4.387 1.00 35.55 O ATOM 617 OD2 ASP A 39 -13.010 7.217 -3.559 1.00 34.22 O ATOM 0 H ASP A 39 -10.036 3.988 -5.564 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.186 6.286 -4.161 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.095 6.132 -5.832 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.987 5.136 -4.698 1.00 24.16 H new ATOM 622 N GLN A 40 -10.558 3.745 -2.527 1.00 11.60 N ATOM 623 CA GLN A 40 -10.938 3.239 -1.237 1.00 10.76 C ATOM 624 C GLN A 40 -9.669 2.793 -0.474 1.00 8.01 C ATOM 625 O GLN A 40 -9.696 2.549 0.739 1.00 8.96 O ATOM 626 CB GLN A 40 -11.874 2.010 -1.322 1.00 11.14 C ATOM 627 CG GLN A 40 -13.322 2.392 -1.819 1.00 14.85 C ATOM 628 CD GLN A 40 -14.313 1.193 -1.674 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.805 0.633 -2.661 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.568 0.858 -0.392 1.00 18.16 N ATOM 0 H GLN A 40 -10.631 3.079 -3.296 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.468 4.045 -0.730 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.442 1.274 -2.000 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.942 1.539 -0.341 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.692 3.242 -1.246 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.279 2.705 -2.862 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.121 1.371 0.368 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.208 0.092 -0.183 1.00 18.16 H new ATOM 639 N GLN A 41 -8.559 2.635 -1.200 1.00 6.52 N ATOM 640 CA GLN A 41 -7.338 2.158 -0.595 1.00 3.87 C ATOM 641 C GLN A 41 -6.372 3.226 -0.029 1.00 4.79 C ATOM 642 O GLN A 41 -5.904 4.092 -0.734 1.00 6.34 O ATOM 643 CB GLN A 41 -6.475 1.291 -1.541 1.00 4.20 C ATOM 644 CG GLN A 41 -7.294 0.189 -2.279 1.00 3.20 C ATOM 645 CD GLN A 41 -6.365 -0.707 -3.028 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.273 -0.939 -2.512 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.667 -1.117 -4.294 1.00 7.13 N ATOM 0 H GLN A 41 -8.492 2.832 -2.199 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.757 1.586 0.233 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.997 1.935 -2.279 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.678 0.819 -0.966 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.874 -0.390 -1.560 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.005 0.648 -2.966 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.582 -0.908 -4.693 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.977 -1.632 -4.841 1.00 7.13 H new ATOM 656 N ARG A 42 -6.139 3.161 1.273 1.00 5.73 N ATOM 657 CA ARG A 42 -5.349 4.114 2.043 1.00 6.97 C ATOM 658 C ARG A 42 -4.220 3.419 2.733 1.00 7.15 C ATOM 659 O ARG A 42 -4.323 2.400 3.370 1.00 7.33 O ATOM 660 CB ARG A 42 -6.290 4.745 3.084 1.00 13.23 C ATOM 661 CG ARG A 42 -5.552 5.784 4.046 1.00 21.27 C ATOM 662 CD ARG A 42 -6.472 6.440 5.070 1.00 26.14 C ATOM 663 NE ARG A 42 -7.326 7.450 4.351 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.614 7.649 4.598 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.335 7.072 5.525 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.298 8.488 3.808 1.00 36.39 N ATOM 0 H ARG A 42 -6.513 2.407 1.850 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.922 4.874 1.389 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.105 5.252 2.568 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.737 3.955 3.687 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.748 5.269 4.572 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -5.089 6.561 3.438 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.097 5.690 5.556 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.887 6.924 5.852 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.886 8.018 3.627 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.909 6.389 6.151 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.323 7.306 5.622 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.827 8.959 3.035 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.289 8.656 3.980 1.00 36.39 H new ATOM 680 N LEU A 43 -2.942 3.905 2.453 1.00 4.65 N ATOM 681 CA LEU A 43 -1.717 3.192 2.909 1.00 3.51 C ATOM 682 C LEU A 43 -0.913 3.866 3.994 1.00 5.56 C ATOM 683 O LEU A 43 -0.685 5.047 4.086 1.00 4.19 O ATOM 684 CB LEU A 43 -0.796 2.797 1.754 1.00 3.74 C ATOM 685 CG LEU A 43 -1.269 1.645 0.846 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.446 1.426 -0.426 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.416 0.311 1.596 1.00 6.41 C ATOM 0 H LEU A 43 -2.761 4.761 1.929 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.136 2.297 3.369 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.638 3.677 1.131 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.173 2.524 2.171 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.251 1.990 0.523 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.864 0.593 -0.991 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.473 2.328 -1.037 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.586 1.200 -0.157 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.752 -0.461 0.903 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.454 0.024 2.020 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.147 0.422 2.397 1.00 6.41 H new ATOM 699 N ILE A 44 -0.424 2.958 4.902 1.00 4.58 N ATOM 700 CA ILE A 44 0.164 3.190 6.190 1.00 5.55 C ATOM 701 C ILE A 44 1.456 2.424 6.222 1.00 5.46 C ATOM 702 O ILE A 44 1.596 1.265 5.850 1.00 6.04 O ATOM 703 CB ILE A 44 -0.702 2.782 7.401 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.162 3.246 7.298 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.154 3.325 8.689 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.432 4.775 7.428 1.00 13.90 C ATOM 0 H ILE A 44 -0.453 1.960 4.692 1.00 4.58 H new ATOM 0 HA ILE A 44 0.292 4.267 6.296 1.00 5.55 H new ATOM 0 HB ILE A 44 -0.673 1.692 7.394 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.556 2.914 6.337 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.735 2.734 8.071 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.793 3.015 9.516 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.854 2.942 8.846 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.125 4.414 8.642 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.502 4.965 7.337 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.083 5.125 8.399 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.901 5.307 6.639 1.00 13.90 H new ATOM 718 N PHE A 45 2.592 3.093 6.607 1.00 6.75 N ATOM 719 CA PHE A 45 3.831 2.416 6.928 1.00 4.70 C ATOM 720 C PHE A 45 4.461 3.191 8.049 1.00 6.34 C ATOM 721 O PHE A 45 4.373 4.413 8.153 1.00 5.45 O ATOM 722 CB PHE A 45 4.822 2.336 5.705 1.00 5.51 C ATOM 723 CG PHE A 45 6.163 1.772 6.037 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.238 0.432 6.387 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.284 2.546 6.164 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.416 -0.168 6.853 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.520 1.965 6.553 1.00 6.64 C ATOM 728 CZ PHE A 45 8.589 0.643 6.859 1.00 6.84 C ATOM 0 H PHE A 45 2.643 4.108 6.693 1.00 6.75 H new ATOM 0 HA PHE A 45 3.618 1.384 7.206 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.368 1.727 4.924 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.954 3.336 5.293 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.350 -0.176 6.297 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.228 3.606 5.967 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.434 -1.194 7.191 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.409 2.576 6.606 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.542 0.202 7.109 1.00 6.84 H new ATOM 738 N ALA A 46 5.098 2.480 9.045 1.00 6.53 N ATOM 739 CA ALA A 46 5.842 2.986 10.164 1.00 7.15 C ATOM 740 C ALA A 46 5.127 4.017 11.016 1.00 9.00 C ATOM 741 O ALA A 46 5.677 4.967 11.567 1.00 11.15 O ATOM 742 CB ALA A 46 7.227 3.390 9.636 1.00 8.99 C ATOM 0 H ALA A 46 5.077 1.460 9.047 1.00 6.53 H new ATOM 0 HA ALA A 46 5.959 2.201 10.911 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.829 3.782 10.456 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.721 2.518 9.207 1.00 8.99 H new ATOM 0 HB3 ALA A 46 7.115 4.157 8.870 1.00 8.99 H new ATOM 748 N GLY A 47 3.802 3.856 11.205 1.00 9.35 N ATOM 749 CA GLY A 47 2.981 4.732 11.936 1.00 11.68 C ATOM 750 C GLY A 47 2.599 5.976 11.233 1.00 11.14 C ATOM 751 O GLY A 47 2.217 6.935 11.917 1.00 13.93 O ATOM 0 H GLY A 47 3.290 3.063 10.818 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.072 4.201 12.219 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.495 4.999 12.859 1.00 11.68 H new ATOM 755 N LYS A 48 2.784 6.034 9.887 1.00 10.47 N ATOM 756 CA LYS A 48 2.386 7.272 9.187 1.00 8.82 C ATOM 757 C LYS A 48 1.794 6.890 7.864 1.00 7.68 C ATOM 758 O LYS A 48 2.097 5.883 7.315 1.00 6.47 O ATOM 759 CB LYS A 48 3.450 8.365 9.281 1.00 9.74 C ATOM 760 CG LYS A 48 4.825 7.963 8.767 1.00 14.14 C ATOM 761 CD LYS A 48 5.026 8.048 7.254 1.00 16.32 C ATOM 762 CE LYS A 48 6.281 7.259 6.907 1.00 20.04 C ATOM 763 NZ LYS A 48 7.547 7.834 7.411 1.00 23.92 N ATOM 0 H LYS A 48 3.177 5.294 9.305 1.00 10.47 H new ATOM 0 HA LYS A 48 1.575 7.809 9.680 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.108 9.235 8.720 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.543 8.674 10.322 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.570 8.596 9.249 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.024 6.939 9.083 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.161 7.640 6.730 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.129 9.087 6.940 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.177 6.249 7.303 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.347 7.171 5.823 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.342 7.228 7.125 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.678 8.786 7.014 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.513 7.893 8.449 1.00 23.92 H new ATOM 777 N GLN A 49 0.936 7.717 7.221 1.00 8.89 N ATOM 778 CA GLN A 49 0.251 7.564 5.950 1.00 7.18 C ATOM 779 C GLN A 49 1.080 7.907 4.673 1.00 8.23 C ATOM 780 O GLN A 49 1.744 8.931 4.541 1.00 9.70 O ATOM 781 CB GLN A 49 -1.064 8.352 5.968 1.00 11.67 C ATOM 782 CG GLN A 49 -2.129 7.978 4.834 1.00 15.82 C ATOM 783 CD GLN A 49 -3.295 8.946 5.097 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.447 9.474 6.205 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.112 9.148 4.071 1.00 20.67 N ATOM 0 H GLN A 49 0.690 8.610 7.647 1.00 8.89 H new ATOM 0 HA GLN A 49 0.066 6.493 5.862 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.535 8.209 6.941 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.829 9.413 5.880 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.714 8.112 3.835 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.447 6.938 4.910 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.936 8.684 3.180 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.916 9.767 4.174 1.00 20.67 H new ATOM 794 N LEU A 50 0.933 7.090 3.593 1.00 6.51 N ATOM 795 CA LEU A 50 1.664 7.234 2.356 1.00 7.41 C ATOM 796 C LEU A 50 0.789 7.894 1.323 1.00 8.27 C ATOM 797 O LEU A 50 -0.345 7.521 1.112 1.00 8.34 O ATOM 798 CB LEU A 50 2.258 5.919 1.768 1.00 7.13 C ATOM 799 CG LEU A 50 2.711 4.891 2.881 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.134 3.518 2.305 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.813 5.422 3.771 1.00 9.11 C ATOM 0 H LEU A 50 0.283 6.304 3.584 1.00 6.51 H new ATOM 0 HA LEU A 50 2.526 7.851 2.608 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.514 5.446 1.126 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.113 6.164 1.138 1.00 7.13 H new ATOM 0 HG LEU A 50 1.818 4.749 3.490 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.434 2.858 3.119 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.295 3.074 1.769 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.972 3.653 1.621 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.077 4.668 4.513 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.688 5.657 3.165 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.469 6.324 4.277 1.00 9.11 H new ATOM 813 N GLU A 51 1.294 8.949 0.617 1.00 9.43 N ATOM 814 CA GLU A 51 0.664 9.523 -0.467 1.00 11.90 C ATOM 815 C GLU A 51 1.001 8.738 -1.726 1.00 11.49 C ATOM 816 O GLU A 51 2.106 8.216 -1.913 1.00 9.88 O ATOM 817 CB GLU A 51 1.047 10.955 -0.629 1.00 16.56 C ATOM 818 CG GLU A 51 0.645 11.915 0.570 1.00 26.06 C ATOM 819 CD GLU A 51 -0.845 11.883 0.892 1.00 29.86 C ATOM 820 OE1 GLU A 51 -1.646 12.366 0.038 1.00 33.44 O ATOM 821 OE2 GLU A 51 -1.201 11.220 1.892 1.00 32.13 O ATOM 0 H GLU A 51 2.184 9.391 0.847 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.412 9.491 -0.294 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.127 11.010 -0.768 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.589 11.334 -1.543 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.208 11.631 1.459 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.935 12.936 0.322 1.00 26.06 H new ATOM 828 N ASP A 52 0.028 8.618 -2.646 1.00 12.71 N ATOM 829 CA ASP A 52 0.068 7.875 -3.904 1.00 16.56 C ATOM 830 C ASP A 52 1.291 8.237 -4.767 1.00 15.83 C ATOM 831 O ASP A 52 2.096 7.368 -5.107 1.00 17.21 O ATOM 832 CB ASP A 52 -1.201 8.258 -4.689 1.00 21.05 C ATOM 833 CG ASP A 52 -2.486 7.661 -4.110 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.550 6.402 -3.966 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.460 8.427 -4.035 1.00 28.37 O ATOM 0 H ASP A 52 -0.874 9.076 -2.513 1.00 12.71 H new ATOM 0 HA ASP A 52 0.129 6.810 -3.679 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.292 9.344 -4.708 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.091 7.929 -5.722 1.00 21.05 H new ATOM 840 N GLY A 53 1.528 9.523 -4.987 1.00 15.00 N ATOM 841 CA GLY A 53 2.495 10.013 -5.922 1.00 11.77 C ATOM 842 C GLY A 53 3.934 10.024 -5.502 1.00 11.10 C ATOM 843 O GLY A 53 4.838 10.485 -6.193 1.00 11.25 O ATOM 0 H GLY A 53 1.030 10.266 -4.497 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.416 9.414 -6.829 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.216 11.033 -6.188 1.00 11.77 H new ATOM 847 N ARG A 54 4.305 9.346 -4.308 1.00 8.53 N ATOM 848 CA ARG A 54 5.681 9.160 -3.899 1.00 9.05 C ATOM 849 C ARG A 54 6.173 7.758 -4.328 1.00 8.96 C ATOM 850 O ARG A 54 5.427 6.830 -4.596 1.00 11.60 O ATOM 851 CB ARG A 54 5.816 9.311 -2.419 1.00 7.97 C ATOM 852 CG ARG A 54 4.999 10.485 -1.879 1.00 9.62 C ATOM 853 CD ARG A 54 5.410 11.833 -2.358 1.00 12.20 C ATOM 854 NE ARG A 54 4.513 12.802 -1.746 1.00 18.23 N ATOM 855 CZ ARG A 54 4.639 13.402 -0.556 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.595 13.031 0.267 1.00 25.50 N ATOM 857 NH2 ARG A 54 3.733 14.293 -0.217 1.00 23.38 N ATOM 0 H ARG A 54 3.627 8.945 -3.660 1.00 8.53 H new ATOM 0 HA ARG A 54 6.291 9.922 -4.384 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.493 8.391 -1.931 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.866 9.455 -2.165 1.00 7.97 H new ATOM 0 HG2 ARG A 54 3.953 10.329 -2.145 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.057 10.473 -0.791 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.444 12.040 -2.083 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.352 11.889 -3.445 1.00 12.20 H new ATOM 0 HE ARG A 54 3.688 13.055 -2.290 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.239 12.287 -0.002 1.00 25.50 H new ATOM 0 HH12 ARG A 54 5.693 13.487 1.174 1.00 25.50 H new ATOM 0 HH21 ARG A 54 2.965 14.507 -0.854 1.00 23.38 H new ATOM 0 HH22 ARG A 54 3.798 14.770 0.682 1.00 23.38 H new ATOM 871 N THR A 55 7.504 7.563 -4.233 1.00 9.05 N ATOM 872 CA THR A 55 7.976 6.210 -4.428 1.00 9.03 C ATOM 873 C THR A 55 8.047 5.436 -3.167 1.00 8.15 C ATOM 874 O THR A 55 7.819 5.978 -2.025 1.00 5.91 O ATOM 875 CB THR A 55 9.208 5.998 -5.242 1.00 11.15 C ATOM 876 OG1 THR A 55 10.374 6.446 -4.596 1.00 11.95 O ATOM 877 CG2 THR A 55 9.088 6.918 -6.461 1.00 11.71 C ATOM 0 H THR A 55 8.210 8.273 -4.038 1.00 9.05 H new ATOM 0 HA THR A 55 7.184 5.818 -5.066 1.00 9.03 H new ATOM 0 HB THR A 55 9.283 4.931 -5.452 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.130 7.044 -3.859 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.968 6.801 -7.093 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.196 6.655 -7.029 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.014 7.954 -6.129 1.00 11.71 H new ATOM 885 N LEU A 56 8.302 4.074 -3.200 1.00 6.91 N ATOM 886 CA LEU A 56 8.506 3.238 -2.042 1.00 8.29 C ATOM 887 C LEU A 56 9.686 3.664 -1.185 1.00 8.05 C ATOM 888 O LEU A 56 9.648 3.729 -0.012 1.00 10.17 O ATOM 889 CB LEU A 56 8.804 1.770 -2.487 1.00 6.60 C ATOM 890 CG LEU A 56 7.482 0.991 -2.780 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.675 -0.068 -3.883 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.844 0.475 -1.497 1.00 8.64 C ATOM 0 H LEU A 56 8.364 3.555 -4.076 1.00 6.91 H new ATOM 0 HA LEU A 56 7.588 3.326 -1.461 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.431 1.777 -3.379 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.366 1.257 -1.707 1.00 6.60 H new ATOM 0 HG LEU A 56 6.753 1.687 -3.195 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.733 -0.588 -4.057 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.996 0.420 -4.803 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.433 -0.786 -3.569 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.926 -0.062 -1.737 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.537 -0.198 -0.991 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.612 1.315 -0.843 1.00 8.64 H new ATOM 904 N SER A 57 10.779 3.938 -1.775 1.00 8.92 N ATOM 905 CA SER A 57 12.088 4.367 -1.245 1.00 9.00 C ATOM 906 C SER A 57 12.079 5.626 -0.418 1.00 9.44 C ATOM 907 O SER A 57 12.788 5.764 0.592 1.00 10.91 O ATOM 908 CB SER A 57 13.236 4.414 -2.332 1.00 10.32 C ATOM 909 OG SER A 57 13.141 5.507 -3.236 1.00 13.59 O ATOM 0 H SER A 57 10.823 3.868 -2.792 1.00 8.92 H new ATOM 0 HA SER A 57 12.322 3.562 -0.548 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.199 4.460 -1.824 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.220 3.484 -2.901 1.00 10.32 H new ATOM 0 HG SER A 57 12.211 5.612 -3.525 1.00 13.59 H new ATOM 915 N ASP A 58 11.250 6.593 -0.853 1.00 9.11 N ATOM 916 CA ASP A 58 11.041 7.875 -0.240 1.00 7.91 C ATOM 917 C ASP A 58 10.425 7.814 1.149 1.00 9.12 C ATOM 918 O ASP A 58 10.812 8.527 2.052 1.00 8.61 O ATOM 919 CB ASP A 58 10.051 8.745 -1.030 1.00 8.41 C ATOM 920 CG ASP A 58 10.572 9.070 -2.391 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.653 9.767 -2.472 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.945 8.692 -3.376 1.00 11.70 O ATOM 0 H ASP A 58 10.685 6.472 -1.693 1.00 9.11 H new ATOM 0 HA ASP A 58 12.051 8.284 -0.209 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.098 8.224 -1.119 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.859 9.668 -0.483 1.00 8.41 H new ATOM 927 N TYR A 59 9.545 6.843 1.370 1.00 7.97 N ATOM 928 CA TYR A 59 9.005 6.429 2.629 1.00 8.45 C ATOM 929 C TYR A 59 9.807 5.292 3.341 1.00 10.98 C ATOM 930 O TYR A 59 9.435 4.891 4.481 1.00 12.95 O ATOM 931 CB TYR A 59 7.588 5.881 2.461 1.00 7.94 C ATOM 932 CG TYR A 59 6.746 7.145 2.171 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.513 8.174 3.105 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.904 7.134 1.053 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.597 9.210 2.897 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.898 8.121 0.862 1.00 6.52 C ATOM 937 CZ TYR A 59 4.775 9.155 1.767 1.00 6.76 C ATOM 938 OH TYR A 59 3.783 10.126 1.529 1.00 7.63 O ATOM 0 H TYR A 59 9.170 6.289 0.600 1.00 7.97 H new ATOM 0 HA TYR A 59 9.047 7.334 3.236 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.529 5.163 1.643 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.246 5.368 3.360 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.071 8.162 4.030 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.021 6.354 0.315 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.526 10.033 3.593 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.234 8.061 0.013 1.00 6.52 H new ATOM 0 HH TYR A 59 4.063 10.982 1.916 1.00 7.63 H new ATOM 948 N ASN A 60 10.920 4.796 2.737 1.00 12.38 N ATOM 949 CA ASN A 60 11.945 3.859 3.212 1.00 13.94 C ATOM 950 C ASN A 60 11.361 2.471 3.542 1.00 14.16 C ATOM 951 O ASN A 60 11.776 1.755 4.458 1.00 14.26 O ATOM 952 CB ASN A 60 12.538 4.443 4.468 1.00 19.23 C ATOM 953 CG ASN A 60 12.996 5.912 4.296 1.00 22.65 C ATOM 954 OD1 ASN A 60 12.281 6.851 4.628 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.198 6.131 3.777 1.00 24.09 N ATOM 0 H ASN A 60 11.136 5.089 1.784 1.00 12.38 H new ATOM 0 HA ASN A 60 12.687 3.723 2.426 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.801 4.390 5.270 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.390 3.837 4.777 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.533 7.086 3.652 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.786 5.344 3.503 1.00 24.09 H new ATOM 962 N ILE A 61 10.398 2.021 2.692 1.00 11.08 N ATOM 963 CA ILE A 61 9.929 0.638 2.694 1.00 11.78 C ATOM 964 C ILE A 61 10.934 -0.236 1.983 1.00 13.74 C ATOM 965 O ILE A 61 11.462 0.078 0.942 1.00 14.60 O ATOM 966 CB ILE A 61 8.646 0.645 1.894 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.630 1.587 2.629 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.069 -0.797 1.840 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.176 1.774 2.041 1.00 11.42 C ATOM 0 H ILE A 61 9.939 2.612 1.999 1.00 11.08 H new ATOM 0 HA ILE A 61 9.789 0.261 3.707 1.00 11.78 H new ATOM 0 HB ILE A 61 8.826 0.995 0.878 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.525 1.220 3.650 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.087 2.575 2.691 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.144 -0.797 1.264 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.792 -1.461 1.365 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.866 -1.146 2.853 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.612 2.457 2.676 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.241 2.185 1.033 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.670 0.809 2.008 1.00 11.42 H new ATOM 981 N GLN A 62 11.220 -1.378 2.600 1.00 13.97 N ATOM 982 CA GLN A 62 12.290 -2.313 2.364 1.00 15.52 C ATOM 983 C GLN A 62 11.749 -3.677 2.397 1.00 13.94 C ATOM 984 O GLN A 62 10.592 -3.836 2.798 1.00 12.15 O ATOM 985 CB GLN A 62 13.370 -2.133 3.466 1.00 19.53 C ATOM 986 CG GLN A 62 12.799 -2.153 4.926 1.00 26.38 C ATOM 987 CD GLN A 62 13.891 -1.884 5.947 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.026 -0.715 6.409 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.734 -2.872 6.316 1.00 32.71 N ATOM 0 H GLN A 62 10.630 -1.698 3.368 1.00 13.97 H new ATOM 0 HA GLN A 62 12.743 -2.134 1.389 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.112 -2.925 3.366 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.888 -1.188 3.302 1.00 19.53 H new ATOM 0 HG2 GLN A 62 12.014 -1.403 5.023 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.340 -3.121 5.127 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.616 -3.812 5.937 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.489 -2.679 6.974 1.00 32.71 H new ATOM 998 N LYS A 63 12.482 -4.605 1.880 1.00 11.73 N ATOM 999 CA LYS A 63 12.127 -6.001 1.886 1.00 11.97 C ATOM 1000 C LYS A 63 11.645 -6.552 3.219 1.00 10.41 C ATOM 1001 O LYS A 63 12.096 -6.156 4.277 1.00 9.59 O ATOM 1002 CB LYS A 63 13.216 -6.909 1.252 1.00 13.73 C ATOM 1003 CG LYS A 63 14.658 -6.696 1.877 1.00 16.98 C ATOM 1004 CD LYS A 63 15.604 -7.536 0.972 1.00 20.19 C ATOM 1005 CE LYS A 63 17.002 -7.709 1.569 1.00 23.42 C ATOM 1006 NZ LYS A 63 18.048 -8.001 0.612 1.00 25.97 N ATOM 0 H LYS A 63 13.375 -4.416 1.425 1.00 11.73 H new ATOM 0 HA LYS A 63 11.249 -6.032 1.240 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.925 -7.952 1.376 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.261 -6.715 0.180 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.939 -5.643 1.876 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.696 -7.035 2.912 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.162 -8.518 0.806 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.688 -7.055 -0.003 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.266 -6.798 2.105 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.969 -8.513 2.304 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.956 -8.101 1.110 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.826 -8.887 0.115 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.114 -7.225 -0.077 1.00 25.97 H new ATOM 1020 N GLU A 64 10.529 -7.323 3.221 1.00 10.04 N ATOM 1021 CA GLU A 64 9.960 -7.918 4.438 1.00 10.94 C ATOM 1022 C GLU A 64 9.281 -6.966 5.450 1.00 9.74 C ATOM 1023 O GLU A 64 9.207 -7.169 6.664 1.00 9.42 O ATOM 1024 CB GLU A 64 11.021 -8.900 5.143 1.00 18.31 C ATOM 1025 CG GLU A 64 11.306 -10.111 4.211 1.00 24.16 C ATOM 1026 CD GLU A 64 12.499 -10.915 4.634 1.00 29.00 C ATOM 1027 OE1 GLU A 64 13.631 -10.557 4.211 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.267 -11.971 5.347 1.00 31.72 O ATOM 0 H GLU A 64 10.005 -7.545 2.375 1.00 10.04 H new ATOM 0 HA GLU A 64 9.110 -8.491 4.068 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.946 -8.363 5.352 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.631 -9.248 6.100 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.429 -10.758 4.189 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.461 -9.750 3.194 1.00 24.16 H new ATOM 1035 N SER A 65 8.756 -5.852 4.940 1.00 6.85 N ATOM 1036 CA SER A 65 7.956 -4.894 5.703 1.00 6.90 C ATOM 1037 C SER A 65 6.492 -5.120 5.650 1.00 4.72 C ATOM 1038 O SER A 65 6.012 -5.755 4.690 1.00 3.91 O ATOM 1039 CB SER A 65 8.179 -3.480 5.222 1.00 7.28 C ATOM 1040 OG SER A 65 9.565 -3.060 5.232 1.00 10.56 O ATOM 0 H SER A 65 8.878 -5.585 3.963 1.00 6.85 H new ATOM 0 HA SER A 65 8.299 -5.045 6.727 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.791 -3.388 4.208 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.601 -2.800 5.848 1.00 7.28 H new ATOM 0 HG SER A 65 10.010 -3.381 4.420 1.00 10.56 H new ATOM 1046 N THR A 66 5.679 -4.655 6.585 1.00 4.48 N ATOM 1047 CA THR A 66 4.215 -4.730 6.566 1.00 3.80 C ATOM 1048 C THR A 66 3.559 -3.348 6.430 1.00 4.60 C ATOM 1049 O THR A 66 3.837 -2.411 7.191 1.00 5.33 O ATOM 1050 CB THR A 66 3.669 -5.322 7.796 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.202 -6.612 7.976 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.138 -5.561 7.759 1.00 3.40 C ATOM 0 H THR A 66 6.033 -4.191 7.422 1.00 4.48 H new ATOM 0 HA THR A 66 3.988 -5.353 5.701 1.00 3.80 H new ATOM 0 HB THR A 66 3.923 -4.608 8.579 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.838 -7.005 8.797 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.815 -6.000 8.703 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.625 -4.611 7.606 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.895 -6.240 6.942 1.00 3.40 H new ATOM 1060 N LEU A 67 2.650 -3.196 5.544 1.00 4.17 N ATOM 1061 CA LEU A 67 1.960 -1.926 5.273 1.00 3.85 C ATOM 1062 C LEU A 67 0.512 -2.113 5.757 1.00 3.80 C ATOM 1063 O LEU A 67 -0.263 -2.921 5.257 1.00 5.54 O ATOM 1064 CB LEU A 67 1.939 -1.691 3.696 1.00 7.18 C ATOM 1065 CG LEU A 67 3.253 -1.302 2.915 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.494 -2.094 3.284 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.896 -1.213 1.428 1.00 11.66 C ATOM 0 H LEU A 67 2.331 -3.960 4.949 1.00 4.17 H new ATOM 0 HA LEU A 67 2.447 -1.084 5.765 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.557 -2.605 3.242 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.207 -0.907 3.500 1.00 7.18 H new ATOM 0 HG LEU A 67 3.597 -0.319 3.237 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.338 -1.746 2.689 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.714 -1.954 4.342 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.322 -3.152 3.086 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.784 -0.945 0.856 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.521 -2.177 1.085 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.128 -0.453 1.283 1.00 11.66 H new ATOM 1079 N HIS A 68 0.032 -1.355 6.713 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.272 -1.528 7.389 1.00 4.17 C ATOM 1081 C HIS A 68 -2.377 -0.886 6.619 1.00 5.32 C ATOM 1082 O HIS A 68 -3.007 0.036 7.176 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.123 -1.088 8.911 1.00 5.57 C ATOM 1084 CG HIS A 68 0.086 -1.739 9.476 1.00 9.95 C ATOM 1085 ND1 HIS A 68 1.318 -1.139 9.521 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.250 -3.044 9.800 1.00 12.79 C ATOM 1087 CE1 HIS A 68 2.161 -2.087 9.917 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.571 -3.309 10.149 1.00 16.30 N ATOM 0 H HIS A 68 0.551 -0.555 7.073 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.571 -2.576 7.410 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.038 -0.004 8.985 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.008 -1.378 9.477 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -0.539 -3.781 9.789 1.00 12.79 H new ATOM 0 HE1 HIS A 68 3.219 -1.913 10.046 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.990 -4.176 10.486 1.00 16.30 H new ATOM 1096 N LEU A 69 -2.606 -1.259 5.360 1.00 5.29 N ATOM 1097 CA LEU A 69 -3.741 -0.801 4.546 1.00 3.97 C ATOM 1098 C LEU A 69 -5.077 -0.568 5.193 1.00 5.07 C ATOM 1099 O LEU A 69 -5.608 -1.348 5.988 1.00 4.34 O ATOM 1100 CB LEU A 69 -3.972 -1.776 3.306 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.156 -1.670 2.309 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.242 -0.261 1.647 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.124 -2.712 1.150 1.00 9.96 C ATOM 0 H LEU A 69 -1.994 -1.905 4.862 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.400 0.199 4.277 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.065 -1.717 2.704 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.016 -2.784 3.719 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.025 -1.869 2.936 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.085 -0.234 0.957 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.380 0.496 2.419 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.320 -0.059 1.101 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -5.989 -2.563 0.503 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.210 -2.583 0.570 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.151 -3.719 1.566 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.668 0.570 4.970 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.013 0.937 5.480 1.00 6.26 C ATOM 1117 C VAL A 70 -7.924 1.103 4.268 1.00 9.22 C ATOM 1118 O VAL A 70 -7.691 1.907 3.352 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.043 2.169 6.302 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.452 2.443 6.803 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.034 2.259 7.438 1.00 8.54 C ATOM 0 H VAL A 70 -5.238 1.309 4.415 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.344 0.142 6.149 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.721 2.951 5.614 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.454 3.352 7.405 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.122 2.569 5.953 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.791 1.604 7.411 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.159 3.207 7.962 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.195 1.436 8.134 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.024 2.199 7.033 1.00 8.54 H new ATOM 1131 N LEU A 71 -8.974 0.222 4.195 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.060 0.443 3.220 1.00 16.06 C ATOM 1133 C LEU A 71 -11.136 1.386 3.794 1.00 18.09 C ATOM 1134 O LEU A 71 -11.598 1.247 4.930 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.689 -0.902 2.718 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.702 -1.823 1.964 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -8.703 -1.043 1.080 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -8.891 -2.710 2.963 1.00 19.57 C ATOM 0 H LEU A 71 -9.078 -0.608 4.778 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.616 0.927 2.350 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.091 -1.443 3.574 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.529 -0.674 2.062 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.318 -2.446 1.316 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -8.037 -1.745 0.577 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -9.250 -0.465 0.335 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -8.116 -0.368 1.703 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.204 -3.349 2.408 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -8.325 -2.071 3.640 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.578 -3.330 3.539 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.627 2.340 3.083 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.612 3.306 3.620 1.00 25.83 C ATOM 1152 C ARG A 72 -13.964 3.006 3.018 1.00 27.74 C ATOM 1153 O ARG A 72 -14.097 2.240 2.058 1.00 30.65 O ATOM 1154 CB ARG A 72 -12.152 4.732 3.383 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.824 5.051 1.928 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.422 6.522 1.790 1.00 34.05 C ATOM 1157 NE ARG A 72 -12.548 7.432 1.276 1.00 35.08 N ATOM 1158 CZ ARG A 72 -12.941 7.583 0.050 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -12.323 7.055 -1.023 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -13.946 8.480 -0.222 1.00 35.02 N ATOM 0 H ARG A 72 -11.378 2.501 2.107 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.698 3.201 4.702 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -12.930 5.414 3.726 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.269 4.923 3.993 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.013 4.410 1.581 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -12.688 4.841 1.298 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -11.087 6.889 2.760 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.572 6.594 1.111 1.00 34.05 H new ATOM 0 HE ARG A 72 -13.043 7.980 1.980 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -11.483 6.490 -0.901 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -12.695 7.220 -1.958 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -14.371 9.015 0.535 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -14.267 8.611 -1.181 1.00 35.02 H new ATOM 1174 N LEU A 73 -15.022 3.595 3.590 1.00 28.93 N ATOM 1175 CA LEU A 73 -16.239 3.790 2.888 1.00 30.76 C ATOM 1176 C LEU A 73 -16.106 4.602 1.615 1.00 32.18 C ATOM 1177 O LEU A 73 -15.539 5.720 1.673 1.00 32.31 O ATOM 1178 CB LEU A 73 -17.228 4.519 3.789 1.00 30.53 C ATOM 1179 CG LEU A 73 -17.720 3.583 5.051 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -18.410 4.454 6.111 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -18.600 2.407 4.539 1.00 29.11 C ATOM 0 H LEU A 73 -15.031 3.939 4.550 1.00 28.93 H new ATOM 0 HA LEU A 73 -16.577 2.792 2.608 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.767 5.430 4.171 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -18.096 4.823 3.203 1.00 30.53 H new ATOM 0 HG LEU A 73 -16.859 3.126 5.539 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -18.733 3.828 6.943 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -17.711 5.207 6.474 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -19.277 4.946 5.670 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -18.918 1.796 5.384 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -19.477 2.804 4.028 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -18.022 1.795 3.846 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.660 4.176 0.465 1.00 33.82 N ATOM 1194 CA ARG A 74 -16.478 4.882 -0.812 1.00 35.33 C ATOM 1195 C ARG A 74 -16.971 6.351 -0.901 1.00 36.22 C ATOM 1196 O ARG A 74 -16.437 7.205 -1.650 1.00 36.70 O ATOM 1197 CB ARG A 74 -17.029 4.039 -2.056 1.00 36.91 C ATOM 1198 CG ARG A 74 -16.434 4.487 -3.409 1.00 38.62 C ATOM 1199 CD ARG A 74 -16.880 3.419 -4.420 1.00 39.75 C ATOM 1200 NE ARG A 74 -16.103 3.872 -5.675 1.00 41.13 N ATOM 1201 CZ ARG A 74 -15.968 3.142 -6.756 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -16.330 1.870 -6.783 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -15.313 3.603 -7.870 1.00 41.93 N ATOM 0 H ARG A 74 -17.241 3.340 0.397 1.00 33.82 H new ATOM 0 HA ARG A 74 -15.392 4.965 -0.859 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -16.804 2.984 -1.899 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -18.114 4.131 -2.096 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -16.800 5.474 -3.692 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -15.347 4.552 -3.359 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -16.607 2.412 -4.105 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -17.959 3.423 -4.577 1.00 39.75 H new ATOM 0 HE ARG A 74 -15.668 4.795 -5.663 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -16.725 1.434 -5.950 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -16.214 1.325 -7.637 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -14.912 4.541 -7.874 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -15.227 3.008 -8.694 1.00 41.93 H new ATOM 1217 N GLY A 75 -18.087 6.617 -0.191 1.00 36.31 N ATOM 1218 CA GLY A 75 -18.535 7.986 -0.032 1.00 36.07 C ATOM 1219 C GLY A 75 -17.884 8.783 1.043 1.00 36.16 C ATOM 1220 O GLY A 75 -18.180 9.947 1.179 1.00 36.26 O ATOM 0 H GLY A 75 -18.669 5.914 0.264 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -18.385 8.505 -0.979 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -19.608 7.973 0.157 1.00 36.07 H new ATOM 1224 N GLY A 76 -17.071 8.104 1.849 1.00 36.05 N ATOM 1225 CA GLY A 76 -16.459 8.541 3.041 1.00 36.19 C ATOM 1226 C GLY A 76 -15.043 8.960 2.758 1.00 36.20 C ATOM 1227 O GLY A 76 -14.215 8.350 3.465 1.00 0.00 O ATOM 1228 OXT GLY A 76 -14.716 9.870 1.902 1.00 0.00 O ATOM 0 H GLY A 76 -16.817 7.139 1.636 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -17.018 9.376 3.464 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -16.471 7.742 3.782 1.00 36.19 H new TER 1232 GLY A 76