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 22 THR OG1 : rot -89:sc= 0.945 USER MOD Set 1.2: A 25 ASN : amide:sc= 1.08 K(o=2,f=0.054) USER MOD Set 2.1: A 6 LYS NZ :NH3+ -169:sc= 2.38 (180deg=0.87) USER MOD Set 2.2: A 12 THR OG1 : rot -99:sc= 0.962 USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= -0.251 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -176:sc= -0.0178 (180deg=-0.0717) USER MOD Single : A 1 MET N :NH3+ 161:sc= 1.26 (180deg=1.14) USER MOD Single : A 2 GLN : amide:sc=-0.00103 X(o=-0.001,f=0.33) USER MOD Single : A 11 LYS NZ :NH3+ 171:sc= 1.26 (180deg=1.08) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -159:sc= 2.17 (180deg=1.65) USER MOD Single : A 29 LYS NZ :NH3+ -179:sc= 1.23 (180deg=1.17) USER MOD Single : A 31 GLN : amide:sc= -0.015 K(o=-0.015,f=-1.4) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc=-0.00853 K(o=-0.0085,f=-1.4!) USER MOD Single : A 41 GLN : amide:sc= 0.914 K(o=0.91,f=-2.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.364 X(o=-0.36,f=0) USER MOD Single : A 55 THR OG1 : rot -56:sc= 1.04 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 130:sc= 0.727 USER MOD Single : A 60 ASN : amide:sc= -0.0572 X(o=-0.057,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 97:sc= 1.27 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) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.257 -7.313 -5.061 1.00 9.67 N ATOM 2 CA MET A 1 11.256 -7.672 -3.634 1.00 10.38 C ATOM 3 C MET A 1 9.928 -7.920 -3.042 1.00 9.62 C ATOM 4 O MET A 1 8.942 -7.556 -3.671 1.00 9.62 O ATOM 5 CB MET A 1 12.030 -6.636 -2.746 1.00 13.77 C ATOM 6 CG MET A 1 11.257 -5.297 -2.492 1.00 16.29 C ATOM 7 SD MET A 1 12.365 -4.069 -1.839 1.00 17.17 S ATOM 8 CE MET A 1 11.006 -2.849 -1.716 1.00 16.11 C ATOM 0 H1 MET A 1 12.159 -6.855 -5.303 1.00 9.67 H new ATOM 0 H2 MET A 1 11.140 -8.172 -5.635 1.00 9.67 H new ATOM 0 H3 MET A 1 10.473 -6.658 -5.255 1.00 9.67 H new ATOM 0 HA MET A 1 11.783 -8.626 -3.631 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.258 -7.098 -1.785 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.983 -6.407 -3.223 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.814 -4.941 -3.422 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.438 -5.467 -1.794 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.406 -1.891 -1.383 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.537 -2.727 -2.692 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.265 -3.201 -0.999 1.00 16.11 H new ATOM 20 N GLN A 2 9.783 -8.570 -1.889 1.00 9.27 N ATOM 21 CA GLN A 2 8.454 -8.953 -1.355 1.00 9.07 C ATOM 22 C GLN A 2 8.171 -8.114 -0.106 1.00 8.72 C ATOM 23 O GLN A 2 8.957 -7.979 0.866 1.00 8.22 O ATOM 24 CB GLN A 2 8.529 -10.437 -1.063 1.00 14.46 C ATOM 25 CG GLN A 2 7.264 -10.978 -0.409 1.00 17.01 C ATOM 26 CD GLN A 2 7.358 -12.425 -0.014 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.432 -12.748 1.179 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.319 -13.350 -0.978 1.00 19.49 N ATOM 0 H GLN A 2 10.565 -8.848 -1.296 1.00 9.27 H new ATOM 0 HA GLN A 2 7.637 -8.766 -2.051 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.710 -10.976 -1.993 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.381 -10.631 -0.411 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.041 -10.383 0.476 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.428 -10.852 -1.097 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.258 -13.066 -1.956 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.350 -14.340 -0.736 1.00 19.49 H new ATOM 37 N ILE A 3 6.993 -7.497 -0.087 1.00 5.87 N ATOM 38 CA ILE A 3 6.455 -6.813 1.059 1.00 5.07 C ATOM 39 C ILE A 3 5.072 -7.291 1.328 1.00 4.01 C ATOM 40 O ILE A 3 4.349 -7.739 0.444 1.00 4.61 O ATOM 41 CB ILE A 3 6.546 -5.273 1.018 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.672 -4.679 -0.020 1.00 4.72 C ATOM 43 CG2 ILE A 3 8.040 -4.898 0.922 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.654 -3.149 0.072 1.00 10.83 C ATOM 0 H ILE A 3 6.377 -7.465 -0.899 1.00 5.87 H new ATOM 0 HA ILE A 3 7.102 -7.075 1.896 1.00 5.07 H new ATOM 0 HB ILE A 3 6.150 -4.833 1.933 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.020 -4.981 -1.008 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.658 -5.064 0.092 1.00 4.72 H new ATOM 0 HG21 ILE A 3 8.142 -3.813 0.891 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.569 -5.287 1.792 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.466 -5.328 0.016 1.00 5.58 H new ATOM 0 HD11 ILE A 3 5.003 -2.745 -0.704 1.00 10.83 H new ATOM 0 HD12 ILE A 3 5.281 -2.848 1.051 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.665 -2.764 -0.066 1.00 10.83 H new ATOM 56 N PHE A 4 4.669 -7.265 2.592 1.00 4.55 N ATOM 57 CA PHE A 4 3.397 -7.655 3.105 1.00 4.68 C ATOM 58 C PHE A 4 2.482 -6.496 3.381 1.00 5.30 C ATOM 59 O PHE A 4 2.903 -5.508 3.983 1.00 5.58 O ATOM 60 CB PHE A 4 3.513 -8.479 4.473 1.00 4.83 C ATOM 61 CG PHE A 4 4.431 -9.625 4.253 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.065 -10.745 3.514 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.708 -9.599 4.859 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.936 -11.835 3.356 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.528 -10.766 4.771 1.00 10.61 C ATOM 66 CZ PHE A 4 6.213 -11.907 3.953 1.00 8.90 C ATOM 0 H PHE A 4 5.290 -6.940 3.333 1.00 4.55 H new ATOM 0 HA PHE A 4 2.981 -8.276 2.311 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.890 -7.839 5.271 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.531 -8.834 4.786 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.090 -10.777 3.052 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.056 -8.717 5.377 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.611 -12.664 2.744 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.438 -10.793 5.353 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.888 -12.738 3.810 1.00 8.90 H new ATOM 76 N VAL A 5 1.179 -6.556 2.916 1.00 4.44 N ATOM 77 CA VAL A 5 0.245 -5.499 3.293 1.00 3.87 C ATOM 78 C VAL A 5 -0.842 -6.168 4.051 1.00 4.93 C ATOM 79 O VAL A 5 -1.281 -7.226 3.680 1.00 6.84 O ATOM 80 CB VAL A 5 -0.241 -4.699 2.130 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.311 -3.685 2.500 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.901 -3.997 1.351 1.00 9.13 C ATOM 0 H VAL A 5 0.799 -7.290 2.318 1.00 4.44 H new ATOM 0 HA VAL A 5 0.736 -4.748 3.912 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.695 -5.439 1.471 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.619 -3.139 1.608 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.172 -4.202 2.924 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.911 -2.985 3.234 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.480 -3.433 0.519 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.433 -3.318 2.018 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.594 -4.746 0.968 1.00 9.13 H new ATOM 92 N LYS A 6 -1.287 -5.580 5.183 1.00 6.04 N ATOM 93 CA LYS A 6 -2.177 -6.301 6.088 1.00 6.12 C ATOM 94 C LYS A 6 -3.519 -5.667 6.136 1.00 6.57 C ATOM 95 O LYS A 6 -3.686 -4.591 6.727 1.00 5.76 O ATOM 96 CB LYS A 6 -1.594 -6.343 7.561 1.00 7.45 C ATOM 97 CG LYS A 6 -0.523 -7.400 7.864 1.00 11.12 C ATOM 98 CD LYS A 6 -1.156 -8.826 7.964 1.00 14.54 C ATOM 99 CE LYS A 6 -0.505 -9.837 8.774 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.259 -11.118 8.703 1.00 20.55 N ATOM 0 H LYS A 6 -1.047 -4.633 5.477 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.261 -7.316 5.700 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.174 -5.363 7.785 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.425 -6.498 8.249 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.236 -7.389 7.081 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.020 -7.155 8.799 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.172 -8.708 8.342 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.237 -9.220 6.951 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.517 -9.989 8.427 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.443 -9.500 9.809 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.897 -11.774 9.424 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -2.268 -10.937 8.875 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.139 -11.540 7.760 1.00 20.55 H new ATOM 114 N THR A 7 -4.485 -6.384 5.548 1.00 7.41 N ATOM 115 CA THR A 7 -5.923 -6.035 5.502 1.00 7.48 C ATOM 116 C THR A 7 -6.659 -5.554 6.775 1.00 8.75 C ATOM 117 O THR A 7 -6.097 -5.752 7.837 1.00 8.58 O ATOM 118 CB THR A 7 -6.887 -6.919 4.647 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.329 -8.147 5.240 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.281 -7.288 3.261 1.00 9.17 C ATOM 0 H THR A 7 -4.284 -7.262 5.069 1.00 7.41 H new ATOM 0 HA THR A 7 -5.699 -5.130 4.936 1.00 7.48 H new ATOM 0 HB THR A 7 -7.753 -6.264 4.559 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.926 -8.614 4.619 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.990 -7.903 2.706 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.074 -6.377 2.700 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.354 -7.844 3.405 1.00 9.17 H new ATOM 128 N LEU A 8 -7.894 -5.033 6.785 1.00 9.84 N ATOM 129 CA LEU A 8 -8.746 -4.848 7.946 1.00 14.15 C ATOM 130 C LEU A 8 -8.915 -6.042 8.906 1.00 17.37 C ATOM 131 O LEU A 8 -8.857 -5.867 10.115 1.00 17.01 O ATOM 132 CB LEU A 8 -10.147 -4.343 7.548 1.00 16.63 C ATOM 133 CG LEU A 8 -11.133 -3.921 8.737 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.565 -2.861 9.675 1.00 19.31 C ATOM 135 CD2 LEU A 8 -12.447 -3.442 8.145 1.00 18.59 C ATOM 0 H LEU A 8 -8.343 -4.713 5.926 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.186 -4.103 8.510 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.023 -3.483 6.890 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.635 -5.123 6.964 1.00 16.63 H new ATOM 0 HG LEU A 8 -11.279 -4.809 9.352 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.296 -2.633 10.451 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.651 -3.235 10.136 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.342 -1.956 9.109 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -13.124 -3.153 8.949 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -12.263 -2.584 7.499 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.898 -4.245 7.562 1.00 18.59 H new ATOM 147 N THR A 9 -9.035 -7.250 8.342 1.00 18.33 N ATOM 148 CA THR A 9 -9.225 -8.494 9.133 1.00 19.24 C ATOM 149 C THR A 9 -7.888 -9.179 9.444 1.00 19.48 C ATOM 150 O THR A 9 -7.838 -10.318 9.968 1.00 23.14 O ATOM 151 CB THR A 9 -10.119 -9.531 8.417 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.589 -9.802 7.062 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.553 -8.883 8.242 1.00 19.70 C ATOM 0 H THR A 9 -9.005 -7.403 7.334 1.00 18.33 H new ATOM 0 HA THR A 9 -9.713 -8.169 10.052 1.00 19.24 H new ATOM 0 HB THR A 9 -10.151 -10.454 8.996 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.159 -10.461 6.614 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.213 -9.590 7.738 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.964 -8.638 9.222 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.471 -7.974 7.645 1.00 19.70 H new ATOM 161 N GLY A 10 -6.768 -8.500 9.116 1.00 19.43 N ATOM 162 CA GLY A 10 -5.391 -9.019 9.187 1.00 18.74 C ATOM 163 C GLY A 10 -4.867 -10.045 8.083 1.00 17.62 C ATOM 164 O GLY A 10 -3.927 -10.802 8.315 1.00 19.74 O ATOM 0 H GLY A 10 -6.803 -7.537 8.781 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -4.720 -8.160 9.176 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.276 -9.501 10.158 1.00 18.74 H new ATOM 168 N LYS A 11 -5.520 -10.080 6.935 1.00 13.56 N ATOM 169 CA LYS A 11 -5.133 -10.940 5.841 1.00 11.91 C ATOM 170 C LYS A 11 -3.778 -10.490 5.301 1.00 10.18 C ATOM 171 O LYS A 11 -3.386 -9.336 5.159 1.00 9.10 O ATOM 172 CB LYS A 11 -6.113 -11.069 4.636 1.00 13.43 C ATOM 173 CG LYS A 11 -5.714 -11.936 3.444 1.00 16.69 C ATOM 174 CD LYS A 11 -6.672 -11.970 2.252 1.00 17.92 C ATOM 175 CE LYS A 11 -6.334 -12.912 1.064 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.416 -12.772 -0.020 1.00 21.93 N ATOM 0 H LYS A 11 -6.340 -9.506 6.738 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.122 -11.931 6.295 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.058 -11.454 5.020 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.307 -10.064 4.261 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.743 -11.593 3.087 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.580 -12.958 3.799 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.658 -12.246 2.625 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.752 -10.956 1.860 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.356 -12.661 0.653 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.279 -13.945 1.408 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.117 -13.281 -0.876 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.310 -13.174 0.328 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.553 -11.766 -0.246 1.00 21.93 H new ATOM 190 N THR A 12 -2.855 -11.427 5.011 1.00 9.63 N ATOM 191 CA THR A 12 -1.589 -11.074 4.443 1.00 9.85 C ATOM 192 C THR A 12 -1.646 -10.987 2.947 1.00 11.66 C ATOM 193 O THR A 12 -1.650 -12.012 2.274 1.00 12.33 O ATOM 194 CB THR A 12 -0.449 -12.020 4.914 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.373 -12.236 6.282 1.00 10.91 O ATOM 196 CG2 THR A 12 0.881 -11.412 4.465 1.00 9.63 C ATOM 0 H THR A 12 -2.985 -12.426 5.169 1.00 9.63 H new ATOM 0 HA THR A 12 -1.353 -10.077 4.816 1.00 9.85 H new ATOM 0 HB THR A 12 -0.667 -12.991 4.469 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.320 -11.659 6.666 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.701 -12.056 4.783 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.891 -11.321 3.379 1.00 9.63 H new ATOM 0 HG23 THR A 12 1.000 -10.426 4.913 1.00 9.63 H new ATOM 204 N ILE A 13 -1.554 -9.754 2.402 1.00 10.42 N ATOM 205 CA ILE A 13 -1.464 -9.651 0.987 1.00 11.84 C ATOM 206 C ILE A 13 -0.005 -9.554 0.780 1.00 10.55 C ATOM 207 O ILE A 13 0.604 -8.666 1.335 1.00 11.92 O ATOM 208 CB ILE A 13 -1.943 -8.335 0.364 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.240 -7.842 1.105 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.069 -8.630 -1.152 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.583 -6.337 0.632 1.00 16.46 C ATOM 0 H ILE A 13 -1.543 -8.874 2.917 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.049 -10.465 0.558 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.262 -7.491 0.480 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.075 -8.505 0.881 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.090 -7.871 2.184 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.409 -7.733 -1.670 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.098 -8.931 -1.546 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.789 -9.434 -1.308 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -4.481 -5.991 1.143 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.749 -5.679 0.878 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.750 -6.323 -0.445 1.00 16.46 H new ATOM 223 N THR A 14 0.568 -10.459 -0.007 1.00 9.39 N ATOM 224 CA THR A 14 1.964 -10.469 -0.369 1.00 9.63 C ATOM 225 C THR A 14 2.136 -9.787 -1.749 1.00 11.20 C ATOM 226 O THR A 14 1.471 -10.176 -2.697 1.00 11.63 O ATOM 227 CB THR A 14 2.567 -11.833 -0.571 1.00 10.38 C ATOM 228 OG1 THR A 14 2.446 -12.525 0.624 1.00 16.30 O ATOM 229 CG2 THR A 14 4.043 -11.846 -0.842 1.00 11.66 C ATOM 0 H THR A 14 0.045 -11.231 -0.421 1.00 9.39 H new ATOM 0 HA THR A 14 2.457 -9.973 0.467 1.00 9.63 H new ATOM 0 HB THR A 14 2.045 -12.253 -1.431 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.830 -13.421 0.523 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.380 -12.874 -0.973 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.251 -11.278 -1.749 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.571 -11.395 -0.002 1.00 11.66 H new ATOM 237 N LEU A 15 3.009 -8.736 -1.883 1.00 8.29 N ATOM 238 CA LEU A 15 3.120 -8.009 -3.136 1.00 9.03 C ATOM 239 C LEU A 15 4.473 -8.258 -3.696 1.00 8.59 C ATOM 240 O LEU A 15 5.418 -8.381 -2.953 1.00 7.79 O ATOM 241 CB LEU A 15 2.901 -6.497 -2.921 1.00 11.08 C ATOM 242 CG LEU A 15 1.430 -6.152 -2.444 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.241 -4.721 -2.275 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.296 -6.590 -3.398 1.00 15.27 C ATOM 0 H LEU A 15 3.622 -8.400 -1.140 1.00 8.29 H new ATOM 0 HA LEU A 15 2.352 -8.355 -3.828 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.613 -6.133 -2.180 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.110 -5.968 -3.851 1.00 11.08 H new ATOM 0 HG LEU A 15 1.355 -6.713 -1.513 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.220 -4.525 -1.947 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.940 -4.347 -1.527 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.421 -4.216 -3.224 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.667 -6.305 -2.974 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.425 -6.103 -4.365 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.328 -7.672 -3.529 1.00 15.27 H new ATOM 256 N GLU A 16 4.635 -8.141 -5.070 1.00 11.04 N ATOM 257 CA GLU A 16 5.856 -8.116 -5.798 1.00 11.50 C ATOM 258 C GLU A 16 6.049 -6.682 -6.209 1.00 10.13 C ATOM 259 O GLU A 16 5.313 -6.138 -6.987 1.00 9.83 O ATOM 260 CB GLU A 16 5.772 -9.003 -7.056 1.00 17.22 C ATOM 261 CG GLU A 16 6.960 -9.027 -8.036 1.00 23.33 C ATOM 262 CD GLU A 16 6.750 -10.034 -9.154 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.135 -11.243 -9.084 1.00 28.90 O ATOM 264 OE2 GLU A 16 6.241 -9.573 -10.174 1.00 28.86 O ATOM 0 H GLU A 16 3.828 -8.060 -5.688 1.00 11.04 H new ATOM 0 HA GLU A 16 6.680 -8.494 -5.192 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.598 -10.027 -6.725 1.00 17.22 H new ATOM 0 HB3 GLU A 16 4.890 -8.695 -7.617 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.099 -8.034 -8.463 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.873 -9.271 -7.494 1.00 23.33 H new ATOM 271 N VAL A 17 7.044 -5.958 -5.619 1.00 8.99 N ATOM 272 CA VAL A 17 7.306 -4.542 -5.799 1.00 8.85 C ATOM 273 C VAL A 17 8.813 -4.405 -6.099 1.00 8.04 C ATOM 274 O VAL A 17 9.649 -5.256 -5.844 1.00 8.99 O ATOM 275 CB VAL A 17 6.973 -3.722 -4.514 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.503 -3.779 -4.048 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.823 -4.221 -3.315 1.00 10.54 C ATOM 0 H VAL A 17 7.706 -6.391 -4.976 1.00 8.99 H new ATOM 0 HA VAL A 17 6.682 -4.155 -6.605 1.00 8.85 H new ATOM 0 HB VAL A 17 7.195 -2.695 -4.805 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.383 -3.175 -3.148 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.857 -3.390 -4.835 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.230 -4.812 -3.831 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.578 -3.638 -2.427 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.607 -5.273 -3.129 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.882 -4.103 -3.545 1.00 10.54 H new ATOM 287 N GLU A 18 9.241 -3.212 -6.666 1.00 7.29 N ATOM 288 CA GLU A 18 10.623 -2.707 -6.785 1.00 7.08 C ATOM 289 C GLU A 18 10.682 -1.471 -5.891 1.00 6.45 C ATOM 290 O GLU A 18 9.736 -0.758 -5.738 1.00 5.28 O ATOM 291 CB GLU A 18 10.841 -2.206 -8.223 1.00 10.28 C ATOM 292 CG GLU A 18 11.382 -3.358 -9.092 1.00 12.65 C ATOM 293 CD GLU A 18 12.709 -3.953 -8.693 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.746 -3.270 -8.608 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.739 -5.222 -8.548 1.00 18.17 O ATOM 0 H GLU A 18 8.570 -2.557 -7.068 1.00 7.29 H new ATOM 0 HA GLU A 18 11.353 -3.473 -6.526 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.903 -1.834 -8.636 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.544 -1.373 -8.227 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.640 -4.157 -9.095 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.467 -2.998 -10.117 1.00 12.65 H new ATOM 302 N PRO A 19 11.754 -1.184 -5.164 1.00 7.24 N ATOM 303 CA PRO A 19 11.771 -0.033 -4.177 1.00 7.07 C ATOM 304 C PRO A 19 11.500 1.313 -4.851 1.00 6.65 C ATOM 305 O PRO A 19 11.096 2.246 -4.124 1.00 6.37 O ATOM 306 CB PRO A 19 13.226 -0.278 -3.595 1.00 7.61 C ATOM 307 CG PRO A 19 14.007 -1.041 -4.659 1.00 8.16 C ATOM 308 CD PRO A 19 12.977 -2.010 -5.203 1.00 7.49 C ATOM 0 HA PRO A 19 10.998 0.003 -3.409 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.713 0.669 -3.363 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.180 -0.848 -2.667 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.387 -0.377 -5.435 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.866 -1.560 -4.235 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.217 -2.341 -6.213 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.889 -2.905 -4.587 1.00 7.49 H new ATOM 316 N SER A 20 11.801 1.473 -6.139 1.00 6.80 N ATOM 317 CA SER A 20 11.430 2.675 -6.894 1.00 6.28 C ATOM 318 C SER A 20 10.004 2.722 -7.346 1.00 8.45 C ATOM 319 O SER A 20 9.644 3.683 -8.038 1.00 7.26 O ATOM 320 CB SER A 20 12.213 2.695 -8.260 1.00 8.57 C ATOM 321 OG SER A 20 13.636 2.621 -8.001 1.00 11.13 O ATOM 0 H SER A 20 12.306 0.778 -6.689 1.00 6.80 H new ATOM 0 HA SER A 20 11.643 3.492 -6.204 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.902 1.856 -8.882 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.980 3.605 -8.812 1.00 8.57 H new ATOM 0 HG SER A 20 14.124 2.632 -8.851 1.00 11.13 H new ATOM 327 N ASP A 21 9.144 1.752 -7.001 1.00 7.50 N ATOM 328 CA ASP A 21 7.698 1.730 -7.278 1.00 7.70 C ATOM 329 C ASP A 21 6.974 2.708 -6.447 1.00 7.08 C ATOM 330 O ASP A 21 7.012 2.796 -5.210 1.00 8.11 O ATOM 331 CB ASP A 21 7.046 0.394 -6.951 1.00 11.00 C ATOM 332 CG ASP A 21 7.427 -0.578 -8.009 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.714 -0.229 -9.190 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.151 -1.751 -7.718 1.00 18.03 O ATOM 0 H ASP A 21 9.452 0.921 -6.497 1.00 7.50 H new ATOM 0 HA ASP A 21 7.629 1.949 -8.343 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.373 0.040 -5.973 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.962 0.501 -6.905 1.00 11.00 H new ATOM 339 N THR A 22 6.239 3.559 -7.184 1.00 5.37 N ATOM 340 CA THR A 22 5.241 4.430 -6.614 1.00 6.01 C ATOM 341 C THR A 22 4.094 3.744 -5.841 1.00 8.01 C ATOM 342 O THR A 22 3.667 2.552 -6.054 1.00 8.11 O ATOM 343 CB THR A 22 4.624 5.513 -7.441 1.00 8.92 C ATOM 344 OG1 THR A 22 4.048 4.949 -8.635 1.00 10.22 O ATOM 345 CG2 THR A 22 5.717 6.552 -7.864 1.00 9.65 C ATOM 0 H THR A 22 6.334 3.649 -8.196 1.00 5.37 H new ATOM 0 HA THR A 22 5.941 4.920 -5.938 1.00 6.01 H new ATOM 0 HB THR A 22 3.852 6.004 -6.848 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.723 4.926 -9.345 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.259 7.337 -8.466 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.165 6.992 -6.973 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.489 6.051 -8.448 1.00 9.65 H new ATOM 353 N ILE A 23 3.589 4.431 -4.783 1.00 8.32 N ATOM 354 CA ILE A 23 2.465 3.939 -3.947 1.00 9.92 C ATOM 355 C ILE A 23 1.168 3.784 -4.699 1.00 10.01 C ATOM 356 O ILE A 23 0.383 2.863 -4.442 1.00 8.71 O ATOM 357 CB ILE A 23 2.253 4.829 -2.712 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.573 5.139 -1.907 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.243 4.265 -1.723 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.547 3.969 -1.609 1.00 12.30 C ATOM 0 H ILE A 23 3.949 5.338 -4.487 1.00 8.32 H new ATOM 0 HA ILE A 23 2.763 2.941 -3.627 1.00 9.92 H new ATOM 0 HB ILE A 23 1.871 5.752 -3.149 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.127 5.900 -2.457 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.284 5.582 -0.954 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.144 4.945 -0.877 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.276 4.153 -2.214 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.585 3.292 -1.369 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.405 4.343 -1.050 1.00 12.30 H new ATOM 0 HD12 ILE A 23 4.033 3.209 -1.020 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.889 3.532 -2.547 1.00 12.30 H new ATOM 372 N GLU A 24 1.031 4.566 -5.768 1.00 9.54 N ATOM 373 CA GLU A 24 -0.002 4.420 -6.806 1.00 11.81 C ATOM 374 C GLU A 24 0.087 3.021 -7.529 1.00 11.14 C ATOM 375 O GLU A 24 -0.881 2.263 -7.664 1.00 10.62 O ATOM 376 CB GLU A 24 0.137 5.634 -7.811 1.00 19.24 C ATOM 377 CG GLU A 24 -0.892 5.661 -8.991 1.00 27.76 C ATOM 378 CD GLU A 24 -2.240 6.144 -8.519 1.00 32.92 C ATOM 379 OE1 GLU A 24 -3.039 5.374 -7.993 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.620 7.323 -8.823 1.00 36.51 O ATOM 0 H GLU A 24 1.658 5.351 -5.947 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.992 4.444 -6.352 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.039 6.562 -7.247 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.143 5.621 -8.231 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.525 6.313 -9.784 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -0.988 4.663 -9.418 1.00 27.76 H new ATOM 387 N ASN A 25 1.319 2.610 -7.882 1.00 9.43 N ATOM 388 CA ASN A 25 1.712 1.328 -8.370 1.00 10.96 C ATOM 389 C ASN A 25 1.467 0.211 -7.362 1.00 9.68 C ATOM 390 O ASN A 25 0.862 -0.785 -7.710 1.00 9.33 O ATOM 391 CB ASN A 25 3.155 1.288 -8.944 1.00 16.78 C ATOM 392 CG ASN A 25 3.168 1.745 -10.437 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.948 0.958 -11.314 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.388 3.064 -10.600 1.00 24.70 N ATOM 0 H ASN A 25 2.116 3.243 -7.817 1.00 9.43 H new ATOM 0 HA ASN A 25 1.053 1.141 -9.218 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.804 1.936 -8.355 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.556 0.277 -8.864 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.375 3.471 -11.535 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.567 3.655 -9.788 1.00 24.70 H new ATOM 401 N VAL A 26 1.737 0.444 -6.081 1.00 6.52 N ATOM 402 CA VAL A 26 1.526 -0.523 -5.029 1.00 5.53 C ATOM 403 C VAL A 26 0.027 -0.668 -4.706 1.00 4.42 C ATOM 404 O VAL A 26 -0.492 -1.802 -4.598 1.00 3.40 O ATOM 405 CB VAL A 26 2.266 -0.141 -3.755 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.973 -1.131 -2.626 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.792 -0.147 -3.939 1.00 8.12 C ATOM 0 H VAL A 26 2.116 1.330 -5.747 1.00 6.52 H new ATOM 0 HA VAL A 26 1.918 -1.472 -5.395 1.00 5.53 H new ATOM 0 HB VAL A 26 1.916 0.862 -3.512 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.516 -0.831 -1.729 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.903 -1.138 -2.417 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.291 -2.129 -2.926 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.273 0.132 -3.001 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.119 -1.145 -4.231 1.00 8.12 H new ATOM 0 HG23 VAL A 26 4.068 0.567 -4.715 1.00 8.12 H new ATOM 417 N LYS A 27 -0.829 0.372 -4.763 1.00 2.64 N ATOM 418 CA LYS A 27 -2.322 0.218 -4.676 1.00 4.14 C ATOM 419 C LYS A 27 -2.957 -0.598 -5.828 1.00 5.58 C ATOM 420 O LYS A 27 -3.831 -1.459 -5.713 1.00 4.11 O ATOM 421 CB LYS A 27 -3.024 1.629 -4.585 1.00 3.97 C ATOM 422 CG LYS A 27 -2.620 2.399 -3.293 1.00 7.45 C ATOM 423 CD LYS A 27 -3.115 3.854 -3.179 1.00 9.02 C ATOM 424 CE LYS A 27 -2.825 4.325 -1.747 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.451 5.640 -1.592 1.00 15.47 N ATOM 0 H LYS A 27 -0.524 1.339 -4.869 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.491 -0.356 -3.765 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.758 2.223 -5.459 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.106 1.498 -4.606 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.993 1.843 -2.433 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.532 2.402 -3.223 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.606 4.491 -3.903 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.182 3.915 -3.395 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.227 3.619 -1.020 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.751 4.386 -1.572 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.003 6.147 -0.803 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.330 6.187 -2.468 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.465 5.521 -1.395 1.00 15.47 H new ATOM 439 N ALA A 28 -2.415 -0.410 -7.070 1.00 6.61 N ATOM 440 CA ALA A 28 -2.893 -1.180 -8.182 1.00 7.74 C ATOM 441 C ALA A 28 -2.604 -2.649 -8.206 1.00 9.17 C ATOM 442 O ALA A 28 -3.340 -3.535 -8.689 1.00 11.45 O ATOM 443 CB ALA A 28 -2.270 -0.665 -9.523 1.00 7.68 C ATOM 0 H ALA A 28 -1.672 0.254 -7.288 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.969 -1.046 -8.069 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.647 -1.263 -10.353 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.545 0.379 -9.675 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.184 -0.751 -9.477 1.00 7.68 H new ATOM 449 N LYS A 29 -1.453 -3.059 -7.562 1.00 8.96 N ATOM 450 CA LYS A 29 -1.170 -4.463 -7.337 1.00 7.90 C ATOM 451 C LYS A 29 -2.252 -4.953 -6.329 1.00 6.92 C ATOM 452 O LYS A 29 -2.785 -6.068 -6.472 1.00 6.87 O ATOM 453 CB LYS A 29 0.182 -4.744 -6.656 1.00 10.28 C ATOM 454 CG LYS A 29 1.307 -4.264 -7.617 1.00 14.94 C ATOM 455 CD LYS A 29 2.605 -3.907 -6.952 1.00 19.69 C ATOM 456 CE LYS A 29 3.808 -3.448 -7.903 1.00 22.63 C ATOM 457 NZ LYS A 29 4.257 -4.414 -8.853 1.00 24.98 N ATOM 0 H LYS A 29 -0.739 -2.422 -7.208 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.158 -4.954 -8.310 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.245 -4.221 -5.702 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.289 -5.808 -6.444 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.496 -5.048 -8.350 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.947 -3.394 -8.167 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.411 -3.105 -6.240 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.939 -4.770 -6.376 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.497 -2.554 -8.443 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.653 -3.164 -7.276 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.047 -4.019 -9.403 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.576 -5.269 -8.354 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.476 -4.658 -9.495 1.00 24.98 H new ATOM 471 N ILE A 30 -2.712 -4.172 -5.331 1.00 4.57 N ATOM 472 CA ILE A 30 -3.833 -4.630 -4.460 1.00 5.58 C ATOM 473 C ILE A 30 -5.191 -4.731 -5.151 1.00 7.26 C ATOM 474 O ILE A 30 -5.910 -5.647 -4.813 1.00 9.46 O ATOM 475 CB ILE A 30 -3.840 -3.635 -3.240 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.531 -3.781 -2.486 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.095 -3.866 -2.322 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.415 -2.585 -1.522 1.00 2.00 C ATOM 0 H ILE A 30 -2.344 -3.248 -5.105 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.665 -5.662 -4.151 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.920 -2.609 -3.599 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.509 -4.721 -1.935 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.690 -3.798 -3.179 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.071 -3.164 -1.489 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.004 -3.709 -2.902 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.082 -4.886 -1.937 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.483 -2.658 -0.962 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.424 -1.656 -2.092 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.256 -2.593 -0.829 1.00 2.00 H new ATOM 490 N GLN A 31 -5.544 -3.820 -6.090 1.00 7.06 N ATOM 491 CA GLN A 31 -6.733 -4.048 -6.990 1.00 8.67 C ATOM 492 C GLN A 31 -6.721 -5.365 -7.734 1.00 10.90 C ATOM 493 O GLN A 31 -7.714 -6.092 -7.704 1.00 9.63 O ATOM 494 CB GLN A 31 -6.959 -2.888 -7.961 1.00 9.12 C ATOM 495 CG GLN A 31 -8.263 -3.007 -8.809 1.00 10.76 C ATOM 496 CD GLN A 31 -8.417 -1.788 -9.664 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.282 -0.948 -9.388 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.550 -1.603 -10.705 1.00 14.76 N ATOM 0 H GLN A 31 -5.049 -2.943 -6.253 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.576 -4.099 -6.301 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.991 -1.957 -7.395 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.105 -2.822 -8.636 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.223 -3.899 -9.434 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -9.127 -3.116 -8.153 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.845 -2.310 -10.913 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.608 -0.758 -11.273 1.00 14.76 H new ATOM 507 N ASP A 32 -5.557 -5.770 -8.338 1.00 10.93 N ATOM 508 CA ASP A 32 -5.340 -7.019 -9.019 1.00 14.01 C ATOM 509 C ASP A 32 -5.552 -8.223 -8.083 1.00 14.04 C ATOM 510 O ASP A 32 -6.364 -9.067 -8.451 1.00 13.39 O ATOM 511 CB ASP A 32 -3.899 -7.045 -9.584 1.00 18.01 C ATOM 512 CG ASP A 32 -3.800 -6.566 -11.026 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.553 -5.670 -11.496 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.817 -6.964 -11.717 1.00 25.17 O ATOM 0 H ASP A 32 -4.725 -5.179 -8.343 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.066 -7.097 -9.828 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.261 -6.421 -8.958 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.511 -8.062 -9.520 1.00 18.01 H new ATOM 519 N LYS A 33 -4.906 -8.264 -6.897 1.00 14.22 N ATOM 520 CA LYS A 33 -5.009 -9.304 -5.884 1.00 14.00 C ATOM 521 C LYS A 33 -6.349 -9.313 -5.244 1.00 12.37 C ATOM 522 O LYS A 33 -6.950 -10.400 -5.176 1.00 12.17 O ATOM 523 CB LYS A 33 -3.957 -8.877 -4.739 1.00 18.62 C ATOM 524 CG LYS A 33 -2.489 -9.077 -5.200 1.00 24.00 C ATOM 525 CD LYS A 33 -2.164 -10.578 -5.423 1.00 27.61 C ATOM 526 CE LYS A 33 -0.650 -10.782 -5.522 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.271 -12.192 -5.615 1.00 30.06 N ATOM 0 H LYS A 33 -4.264 -7.522 -6.618 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.829 -10.282 -6.331 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.115 -7.832 -4.472 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.139 -9.466 -3.840 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.318 -8.525 -6.124 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.812 -8.664 -4.452 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.565 -11.171 -4.601 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.646 -10.930 -6.335 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.273 -10.251 -6.396 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.171 -10.339 -4.649 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.764 -12.270 -5.680 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.604 -12.698 -4.769 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.703 -12.613 -6.462 1.00 30.06 H new ATOM 541 N GLU A 34 -6.934 -8.220 -4.766 1.00 10.11 N ATOM 542 CA GLU A 34 -8.052 -8.300 -3.793 1.00 10.07 C ATOM 543 C GLU A 34 -9.310 -7.518 -4.212 1.00 9.32 C ATOM 544 O GLU A 34 -10.252 -7.547 -3.439 1.00 11.61 O ATOM 545 CB GLU A 34 -7.520 -7.791 -2.441 1.00 14.77 C ATOM 546 CG GLU A 34 -6.203 -8.496 -1.918 1.00 18.75 C ATOM 547 CD GLU A 34 -6.395 -10.002 -1.712 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.461 -10.342 -1.213 1.00 21.95 O ATOM 549 OE2 GLU A 34 -5.441 -10.782 -1.925 1.00 25.19 O ATOM 0 H GLU A 34 -6.666 -7.270 -5.025 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.379 -9.338 -3.735 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.330 -6.721 -2.525 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.301 -7.918 -1.692 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.396 -8.329 -2.631 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -5.897 -8.038 -0.977 1.00 18.75 H new ATOM 556 N GLY A 35 -9.415 -6.919 -5.401 1.00 7.22 N ATOM 557 CA GLY A 35 -10.655 -6.426 -5.912 1.00 6.29 C ATOM 558 C GLY A 35 -11.021 -5.085 -5.392 1.00 6.93 C ATOM 559 O GLY A 35 -12.220 -4.761 -5.314 1.00 7.41 O ATOM 0 H GLY A 35 -8.623 -6.771 -6.026 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.598 -6.382 -7.000 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.447 -7.132 -5.663 1.00 6.29 H new ATOM 563 N ILE A 36 -9.983 -4.282 -5.014 1.00 5.86 N ATOM 564 CA ILE A 36 -10.147 -3.060 -4.175 1.00 6.07 C ATOM 565 C ILE A 36 -9.853 -1.864 -5.047 1.00 6.36 C ATOM 566 O ILE A 36 -8.695 -1.692 -5.407 1.00 6.18 O ATOM 567 CB ILE A 36 -9.362 -2.944 -2.864 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.505 -4.273 -2.050 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.861 -1.682 -2.122 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.174 -3.967 -0.582 1.00 9.49 C ATOM 0 H ILE A 36 -9.016 -4.464 -5.282 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.175 -3.121 -3.817 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.292 -2.818 -3.031 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.517 -4.667 -2.138 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -8.831 -5.035 -2.442 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.318 -1.574 -1.183 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.690 -0.803 -2.743 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.927 -1.779 -1.916 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.266 -4.878 0.009 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.154 -3.589 -0.510 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.867 -3.216 -0.202 1.00 9.49 H new ATOM 582 N PRO A 37 -10.787 -0.948 -5.433 1.00 8.65 N ATOM 583 CA PRO A 37 -10.502 0.248 -6.189 1.00 9.18 C ATOM 584 C PRO A 37 -9.469 1.205 -5.522 1.00 9.85 C ATOM 585 O PRO A 37 -9.673 1.407 -4.339 1.00 8.51 O ATOM 586 CB PRO A 37 -11.876 0.978 -6.413 1.00 11.42 C ATOM 587 CG PRO A 37 -12.897 -0.155 -6.324 1.00 9.27 C ATOM 588 CD PRO A 37 -12.237 -1.130 -5.382 1.00 8.33 C ATOM 0 HA PRO A 37 -10.028 -0.042 -7.127 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -12.054 1.740 -5.655 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.913 1.477 -7.381 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.855 0.194 -5.938 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.090 -0.603 -7.299 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.599 -0.973 -4.366 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.496 -2.152 -5.658 1.00 8.33 H new ATOM 596 N PRO A 38 -8.350 1.647 -6.188 1.00 8.71 N ATOM 597 CA PRO A 38 -7.308 2.477 -5.619 1.00 9.08 C ATOM 598 C PRO A 38 -7.727 3.835 -5.065 1.00 9.28 C ATOM 599 O PRO A 38 -7.025 4.345 -4.218 1.00 6.50 O ATOM 600 CB PRO A 38 -6.202 2.499 -6.679 1.00 10.31 C ATOM 601 CG PRO A 38 -6.984 2.279 -8.016 1.00 10.81 C ATOM 602 CD PRO A 38 -8.110 1.310 -7.605 1.00 12.00 C ATOM 0 HA PRO A 38 -6.955 2.046 -4.682 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.663 3.446 -6.679 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.466 1.713 -6.509 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -7.381 3.215 -8.410 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.347 1.852 -8.790 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -9.005 1.454 -8.210 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.809 0.269 -7.725 1.00 12.00 H new ATOM 610 N ASP A 39 -8.879 4.420 -5.427 1.00 11.20 N ATOM 611 CA ASP A 39 -9.411 5.590 -4.758 1.00 14.96 C ATOM 612 C ASP A 39 -9.897 5.406 -3.376 1.00 13.99 C ATOM 613 O ASP A 39 -9.674 6.162 -2.452 1.00 13.75 O ATOM 614 CB ASP A 39 -10.645 6.103 -5.530 1.00 24.16 C ATOM 615 CG ASP A 39 -10.196 6.723 -6.799 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.471 7.738 -6.665 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.480 6.195 -7.963 1.00 34.22 O ATOM 0 H ASP A 39 -9.460 4.085 -6.195 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.555 6.264 -4.729 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.330 5.280 -5.735 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.190 6.830 -4.928 1.00 24.16 H new ATOM 622 N GLN A 40 -10.545 4.288 -2.983 1.00 11.60 N ATOM 623 CA GLN A 40 -10.865 3.874 -1.640 1.00 10.76 C ATOM 624 C GLN A 40 -9.651 3.608 -0.816 1.00 8.01 C ATOM 625 O GLN A 40 -9.577 3.930 0.377 1.00 8.96 O ATOM 626 CB GLN A 40 -11.627 2.522 -1.688 1.00 11.14 C ATOM 627 CG GLN A 40 -13.013 2.664 -2.340 1.00 14.85 C ATOM 628 CD GLN A 40 -13.716 1.305 -2.214 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.506 0.544 -1.293 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.624 1.024 -3.201 1.00 18.16 N ATOM 0 H GLN A 40 -10.876 3.610 -3.670 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.446 4.686 -1.203 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.038 1.793 -2.245 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.741 2.134 -0.676 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.592 3.444 -1.846 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.918 2.952 -3.387 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.774 1.688 -3.960 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.150 0.150 -3.176 1.00 18.16 H new ATOM 639 N GLN A 41 -8.581 3.022 -1.452 1.00 6.52 N ATOM 640 CA GLN A 41 -7.314 2.757 -0.749 1.00 3.87 C ATOM 641 C GLN A 41 -6.563 3.927 -0.145 1.00 4.79 C ATOM 642 O GLN A 41 -6.068 4.766 -0.826 1.00 6.34 O ATOM 643 CB GLN A 41 -6.367 1.856 -1.604 1.00 4.20 C ATOM 644 CG GLN A 41 -7.049 0.550 -2.109 1.00 3.20 C ATOM 645 CD GLN A 41 -5.978 -0.223 -2.868 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.795 -0.170 -2.524 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.342 -0.852 -4.021 1.00 7.13 N ATOM 0 H GLN A 41 -8.587 2.736 -2.431 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.657 2.225 0.139 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.011 2.427 -2.462 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.492 1.594 -1.010 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.434 -0.036 -1.274 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.896 0.778 -2.756 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.324 -0.889 -4.294 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.632 -1.286 -4.611 1.00 7.13 H new ATOM 656 N ARG A 42 -6.295 3.803 1.165 1.00 5.73 N ATOM 657 CA ARG A 42 -5.202 4.425 1.859 1.00 6.97 C ATOM 658 C ARG A 42 -4.351 3.367 2.500 1.00 7.15 C ATOM 659 O ARG A 42 -4.807 2.355 3.023 1.00 7.33 O ATOM 660 CB ARG A 42 -5.874 5.386 2.930 1.00 13.23 C ATOM 661 CG ARG A 42 -6.021 6.834 2.424 1.00 21.27 C ATOM 662 CD ARG A 42 -6.345 7.761 3.577 1.00 26.14 C ATOM 663 NE ARG A 42 -6.527 9.100 2.980 1.00 32.26 N ATOM 664 CZ ARG A 42 -6.877 10.155 3.692 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.109 10.080 4.991 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.095 11.288 3.016 1.00 36.39 N ATOM 0 H ARG A 42 -6.875 3.234 1.782 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.544 4.992 1.200 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.857 4.997 3.194 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.275 5.383 3.841 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.098 7.153 1.940 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -6.810 6.886 1.673 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.248 7.439 4.096 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.540 7.767 4.312 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.376 9.214 1.978 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.019 9.186 5.474 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -7.378 10.916 5.510 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -6.988 11.305 2.002 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -7.368 12.135 3.515 1.00 36.39 H new ATOM 680 N LEU A 43 -3.028 3.560 2.472 1.00 4.65 N ATOM 681 CA LEU A 43 -1.978 2.603 2.836 1.00 3.51 C ATOM 682 C LEU A 43 -1.175 3.211 3.947 1.00 5.56 C ATOM 683 O LEU A 43 -0.978 4.441 4.041 1.00 4.19 O ATOM 684 CB LEU A 43 -1.046 2.252 1.598 1.00 3.74 C ATOM 685 CG LEU A 43 -1.666 1.086 0.737 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.716 0.800 -0.411 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.756 -0.214 1.515 1.00 6.41 C ATOM 0 H LEU A 43 -2.635 4.453 2.173 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.433 1.666 3.157 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.913 3.137 0.976 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.058 1.961 1.953 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.661 1.403 0.424 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.120 -0.005 -1.026 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.599 1.697 -1.019 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.254 0.502 -0.014 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.189 -0.988 0.881 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.758 -0.519 1.830 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.385 -0.070 2.393 1.00 6.41 H new ATOM 699 N ILE A 44 -0.657 2.350 4.880 1.00 4.58 N ATOM 700 CA ILE A 44 -0.062 2.788 6.153 1.00 5.55 C ATOM 701 C ILE A 44 1.220 2.045 6.499 1.00 5.46 C ATOM 702 O ILE A 44 1.230 0.801 6.659 1.00 6.04 O ATOM 703 CB ILE A 44 -0.991 2.405 7.306 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.477 2.922 7.209 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.450 2.764 8.698 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.586 4.422 7.103 1.00 13.90 C ATOM 0 H ILE A 44 -0.648 1.338 4.755 1.00 4.58 H new ATOM 0 HA ILE A 44 0.113 3.857 6.033 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.014 1.322 7.185 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.955 2.469 6.341 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.028 2.587 8.088 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.169 2.459 9.458 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.495 2.248 8.865 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.292 3.841 8.760 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.636 4.707 7.040 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.137 4.883 7.983 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.063 4.763 6.209 1.00 13.90 H new ATOM 718 N PHE A 45 2.324 2.798 6.665 1.00 6.75 N ATOM 719 CA PHE A 45 3.530 2.279 7.215 1.00 4.70 C ATOM 720 C PHE A 45 3.713 2.917 8.624 1.00 6.34 C ATOM 721 O PHE A 45 3.617 4.137 8.666 1.00 5.45 O ATOM 722 CB PHE A 45 4.669 2.539 6.211 1.00 5.51 C ATOM 723 CG PHE A 45 5.937 1.725 6.518 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.971 0.332 6.570 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.151 2.392 6.677 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.203 -0.315 6.983 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.385 1.727 6.924 1.00 6.64 C ATOM 728 CZ PHE A 45 8.397 0.339 6.947 1.00 6.84 C ATOM 0 H PHE A 45 2.375 3.785 6.411 1.00 6.75 H new ATOM 0 HA PHE A 45 3.519 1.200 7.368 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.323 2.297 5.206 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.915 3.601 6.216 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.101 -0.252 6.309 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.155 3.470 6.609 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.172 -1.338 7.327 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.292 2.290 7.090 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.328 -0.208 6.937 1.00 6.84 H new ATOM 738 N ALA A 46 3.819 2.101 9.695 1.00 6.53 N ATOM 739 CA ALA A 46 3.922 2.540 11.065 1.00 7.15 C ATOM 740 C ALA A 46 3.113 3.733 11.482 1.00 9.00 C ATOM 741 O ALA A 46 3.587 4.760 11.962 1.00 11.15 O ATOM 742 CB ALA A 46 5.440 2.798 11.400 1.00 8.99 C ATOM 0 H ALA A 46 3.834 1.085 9.604 1.00 6.53 H new ATOM 0 HA ALA A 46 3.482 1.724 11.638 1.00 7.15 H new ATOM 0 HB1 ALA A 46 5.533 3.131 12.434 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.005 1.876 11.264 1.00 8.99 H new ATOM 0 HB3 ALA A 46 5.834 3.566 10.735 1.00 8.99 H new ATOM 748 N GLY A 47 1.807 3.556 11.367 1.00 9.35 N ATOM 749 CA GLY A 47 0.851 4.592 11.764 1.00 11.68 C ATOM 750 C GLY A 47 0.849 5.831 10.877 1.00 11.14 C ATOM 751 O GLY A 47 0.229 6.862 11.166 1.00 13.93 O ATOM 0 H GLY A 47 1.378 2.705 11.002 1.00 9.35 H new ATOM 0 HA2 GLY A 47 -0.150 4.162 11.766 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.069 4.895 12.788 1.00 11.68 H new ATOM 755 N LYS A 48 1.624 5.835 9.809 1.00 10.47 N ATOM 756 CA LYS A 48 1.786 6.987 8.818 1.00 8.82 C ATOM 757 C LYS A 48 1.308 6.532 7.464 1.00 7.68 C ATOM 758 O LYS A 48 1.771 5.593 6.867 1.00 6.47 O ATOM 759 CB LYS A 48 3.290 7.526 8.720 1.00 9.74 C ATOM 760 CG LYS A 48 3.574 8.649 7.719 1.00 14.14 C ATOM 761 CD LYS A 48 2.726 9.888 7.863 1.00 16.32 C ATOM 762 CE LYS A 48 2.717 10.505 9.330 1.00 20.04 C ATOM 763 NZ LYS A 48 4.015 11.157 9.568 1.00 23.92 N ATOM 0 H LYS A 48 2.196 5.028 9.560 1.00 10.47 H new ATOM 0 HA LYS A 48 1.186 7.822 9.180 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.588 7.874 9.709 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.934 6.683 8.471 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.621 8.936 7.812 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.439 8.255 6.712 1.00 14.14 H new ATOM 0 HD2 LYS A 48 3.086 10.644 7.165 1.00 16.32 H new ATOM 0 HD3 LYS A 48 1.702 9.650 7.575 1.00 16.32 H new ATOM 0 HE2 LYS A 48 1.906 11.226 9.433 1.00 20.04 H new ATOM 0 HE3 LYS A 48 2.544 9.723 10.069 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 4.028 11.567 10.524 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 4.777 10.455 9.482 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 4.159 11.911 8.866 1.00 23.92 H new ATOM 777 N GLN A 49 0.301 7.286 6.958 1.00 8.89 N ATOM 778 CA GLN A 49 -0.234 7.211 5.642 1.00 7.18 C ATOM 779 C GLN A 49 0.921 7.192 4.579 1.00 8.23 C ATOM 780 O GLN A 49 1.937 7.856 4.707 1.00 9.70 O ATOM 781 CB GLN A 49 -1.224 8.338 5.357 1.00 11.67 C ATOM 782 CG GLN A 49 -2.557 8.070 6.115 1.00 15.82 C ATOM 783 CD GLN A 49 -3.450 9.289 6.035 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.285 9.474 6.909 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.480 10.019 4.928 1.00 20.67 N ATOM 0 H GLN A 49 -0.165 7.997 7.521 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.790 6.276 5.568 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.802 9.293 5.670 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.412 8.408 4.286 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -3.064 7.208 5.682 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.350 7.828 7.157 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.785 9.867 4.198 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.198 10.733 4.807 1.00 20.67 H new ATOM 794 N LEU A 50 0.738 6.573 3.408 1.00 6.51 N ATOM 795 CA LEU A 50 1.641 6.650 2.266 1.00 7.41 C ATOM 796 C LEU A 50 1.002 7.408 1.097 1.00 8.27 C ATOM 797 O LEU A 50 0.003 7.032 0.505 1.00 8.34 O ATOM 798 CB LEU A 50 2.162 5.308 1.853 1.00 7.13 C ATOM 799 CG LEU A 50 2.701 4.488 3.077 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.262 3.179 2.567 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.900 5.200 3.720 1.00 9.11 C ATOM 0 H LEU A 50 -0.075 5.984 3.228 1.00 6.51 H new ATOM 0 HA LEU A 50 2.510 7.224 2.588 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.368 4.746 1.361 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.961 5.438 1.123 1.00 7.13 H new ATOM 0 HG LEU A 50 1.882 4.365 3.785 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.642 2.595 3.405 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.476 2.619 2.061 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.073 3.379 1.867 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.259 4.615 4.567 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.699 5.303 2.985 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.594 6.188 4.065 1.00 9.11 H new ATOM 813 N GLU A 51 1.675 8.482 0.614 1.00 9.43 N ATOM 814 CA GLU A 51 1.274 9.348 -0.489 1.00 11.90 C ATOM 815 C GLU A 51 1.607 8.757 -1.815 1.00 11.49 C ATOM 816 O GLU A 51 2.752 8.310 -2.110 1.00 9.88 O ATOM 817 CB GLU A 51 1.749 10.822 -0.262 1.00 16.56 C ATOM 818 CG GLU A 51 1.246 11.823 -1.361 1.00 26.06 C ATOM 819 CD GLU A 51 1.748 13.191 -0.923 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.324 13.752 0.118 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.557 13.796 -1.653 1.00 32.13 O ATOM 0 H GLU A 51 2.565 8.772 1.019 1.00 9.43 H new ATOM 0 HA GLU A 51 0.186 9.414 -0.504 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.399 11.161 0.713 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.838 10.843 -0.235 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.637 11.557 -2.343 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.159 11.809 -1.437 1.00 26.06 H new ATOM 828 N ASP A 52 0.579 8.732 -2.751 1.00 12.71 N ATOM 829 CA ASP A 52 0.510 7.974 -4.004 1.00 16.56 C ATOM 830 C ASP A 52 1.700 8.192 -4.946 1.00 15.83 C ATOM 831 O ASP A 52 2.197 7.248 -5.537 1.00 17.21 O ATOM 832 CB ASP A 52 -0.771 8.500 -4.767 1.00 21.05 C ATOM 833 CG ASP A 52 -2.007 8.343 -3.943 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.292 7.212 -3.492 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.714 9.342 -3.668 1.00 28.37 O ATOM 0 H ASP A 52 -0.264 9.289 -2.609 1.00 12.71 H new ATOM 0 HA ASP A 52 0.496 6.915 -3.745 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.636 9.551 -5.024 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.886 7.955 -5.704 1.00 21.05 H new ATOM 840 N GLY A 53 2.185 9.467 -5.176 1.00 15.00 N ATOM 841 CA GLY A 53 3.345 9.848 -5.995 1.00 11.77 C ATOM 842 C GLY A 53 4.721 9.549 -5.454 1.00 11.10 C ATOM 843 O GLY A 53 5.717 9.643 -6.168 1.00 11.25 O ATOM 0 H GLY A 53 1.734 10.282 -4.761 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.250 9.351 -6.960 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.285 10.920 -6.181 1.00 11.77 H new ATOM 847 N ARG A 54 4.778 9.200 -4.175 1.00 8.53 N ATOM 848 CA ARG A 54 6.117 8.889 -3.584 1.00 9.05 C ATOM 849 C ARG A 54 6.401 7.485 -3.897 1.00 8.96 C ATOM 850 O ARG A 54 5.522 6.726 -4.284 1.00 11.60 O ATOM 851 CB ARG A 54 6.051 9.162 -2.067 1.00 7.97 C ATOM 852 CG ARG A 54 5.447 10.421 -1.573 1.00 9.62 C ATOM 853 CD ARG A 54 6.220 11.630 -2.199 1.00 12.20 C ATOM 854 NE ARG A 54 5.418 12.855 -1.770 1.00 18.23 N ATOM 855 CZ ARG A 54 5.930 13.974 -1.243 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.239 14.232 -1.178 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.117 14.924 -0.804 1.00 23.38 N ATOM 0 H ARG A 54 3.981 9.122 -3.543 1.00 8.53 H new ATOM 0 HA ARG A 54 6.919 9.507 -3.988 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.503 8.337 -1.611 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.070 9.118 -1.684 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.392 10.466 -1.845 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.498 10.463 -0.485 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.246 11.678 -1.833 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.272 11.549 -3.285 1.00 12.20 H new ATOM 0 HE ARG A 54 4.406 12.818 -1.895 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.911 13.557 -1.543 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.567 15.105 -0.764 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.107 14.801 -0.869 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.502 15.779 -0.402 1.00 23.38 H new ATOM 871 N THR A 55 7.603 6.986 -3.635 1.00 9.05 N ATOM 872 CA THR A 55 7.931 5.620 -3.801 1.00 9.03 C ATOM 873 C THR A 55 8.286 4.994 -2.488 1.00 8.15 C ATOM 874 O THR A 55 8.613 5.692 -1.575 1.00 5.91 O ATOM 875 CB THR A 55 9.180 5.402 -4.678 1.00 11.15 C ATOM 876 OG1 THR A 55 10.387 5.906 -4.165 1.00 11.95 O ATOM 877 CG2 THR A 55 8.851 6.141 -5.966 1.00 11.71 C ATOM 0 H THR A 55 8.379 7.554 -3.294 1.00 9.05 H new ATOM 0 HA THR A 55 7.047 5.180 -4.262 1.00 9.03 H new ATOM 0 HB THR A 55 9.362 4.331 -4.773 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.289 6.863 -3.977 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.684 6.046 -6.663 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.954 5.712 -6.412 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.680 7.195 -5.747 1.00 11.71 H new ATOM 885 N LEU A 56 8.252 3.669 -2.411 1.00 6.91 N ATOM 886 CA LEU A 56 8.823 2.938 -1.243 1.00 8.29 C ATOM 887 C LEU A 56 10.167 3.328 -0.716 1.00 8.05 C ATOM 888 O LEU A 56 10.291 3.593 0.464 1.00 10.17 O ATOM 889 CB LEU A 56 8.876 1.434 -1.635 1.00 6.60 C ATOM 890 CG LEU A 56 7.475 0.818 -1.830 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.533 -0.577 -2.476 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.646 0.761 -0.496 1.00 8.64 C ATOM 0 H LEU A 56 7.844 3.067 -3.126 1.00 6.91 H new ATOM 0 HA LEU A 56 8.159 3.199 -0.419 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.448 1.323 -2.556 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.407 0.880 -0.861 1.00 6.60 H new ATOM 0 HG LEU A 56 6.958 1.490 -2.516 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.522 -0.967 -2.591 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.008 -0.505 -3.454 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.110 -1.249 -1.840 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.669 0.319 -0.693 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.178 0.155 0.237 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.515 1.770 -0.106 1.00 8.64 H new ATOM 904 N SER A 57 11.197 3.497 -1.555 1.00 8.92 N ATOM 905 CA SER A 57 12.555 4.098 -1.309 1.00 9.00 C ATOM 906 C SER A 57 12.501 5.485 -0.648 1.00 9.44 C ATOM 907 O SER A 57 13.310 5.815 0.190 1.00 10.91 O ATOM 908 CB SER A 57 13.382 4.317 -2.627 1.00 10.32 C ATOM 909 OG SER A 57 14.774 4.231 -2.254 1.00 13.59 O ATOM 0 H SER A 57 11.113 3.193 -2.525 1.00 8.92 H new ATOM 0 HA SER A 57 13.025 3.364 -0.655 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.132 3.562 -3.372 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.158 5.288 -3.069 1.00 10.32 H new ATOM 0 HG SER A 57 15.334 4.360 -3.048 1.00 13.59 H new ATOM 915 N ASP A 58 11.508 6.348 -0.913 1.00 9.11 N ATOM 916 CA ASP A 58 11.366 7.645 -0.238 1.00 7.91 C ATOM 917 C ASP A 58 10.889 7.454 1.215 1.00 9.12 C ATOM 918 O ASP A 58 11.260 8.247 2.091 1.00 8.61 O ATOM 919 CB ASP A 58 10.400 8.551 -0.998 1.00 8.41 C ATOM 920 CG ASP A 58 10.708 8.736 -2.434 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.833 9.158 -2.787 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.823 8.463 -3.311 1.00 10.05 O ATOM 0 H ASP A 58 10.780 6.164 -1.603 1.00 9.11 H new ATOM 0 HA ASP A 58 12.345 8.124 -0.221 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.395 8.140 -0.908 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.389 9.529 -0.516 1.00 8.41 H new ATOM 927 N TYR A 59 10.211 6.324 1.534 1.00 7.97 N ATOM 928 CA TYR A 59 9.812 6.057 2.899 1.00 8.45 C ATOM 929 C TYR A 59 10.786 5.016 3.485 1.00 10.98 C ATOM 930 O TYR A 59 10.595 4.537 4.609 1.00 12.95 O ATOM 931 CB TYR A 59 8.399 5.539 2.830 1.00 7.94 C ATOM 932 CG TYR A 59 7.382 6.536 2.639 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.978 7.297 3.714 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.820 6.667 1.371 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.938 8.229 3.588 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.722 7.545 1.223 1.00 6.52 C ATOM 937 CZ TYR A 59 5.249 8.304 2.292 1.00 6.76 C ATOM 938 OH TYR A 59 4.160 9.153 1.981 1.00 7.63 O ATOM 0 H TYR A 59 9.942 5.605 0.862 1.00 7.97 H new ATOM 0 HA TYR A 59 9.844 6.937 3.541 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.334 4.819 2.015 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.184 4.998 3.751 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.470 7.174 4.668 1.00 4.59 H new ATOM 0 HD2 TYR A 59 7.211 6.116 0.528 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.654 8.867 4.412 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.239 7.629 0.261 1.00 6.52 H new ATOM 0 HH TYR A 59 4.347 9.633 1.147 1.00 7.63 H new ATOM 948 N ASN A 60 11.822 4.604 2.737 1.00 12.38 N ATOM 949 CA ASN A 60 12.884 3.614 3.017 1.00 13.94 C ATOM 950 C ASN A 60 12.435 2.184 3.205 1.00 14.16 C ATOM 951 O ASN A 60 13.040 1.385 3.913 1.00 14.26 O ATOM 952 CB ASN A 60 13.753 4.105 4.145 1.00 19.23 C ATOM 953 CG ASN A 60 14.481 5.364 3.690 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.219 6.525 3.990 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.422 5.106 2.803 1.00 24.09 N ATOM 0 H ASN A 60 11.954 5.004 1.808 1.00 12.38 H new ATOM 0 HA ASN A 60 13.471 3.549 2.101 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.146 4.317 5.025 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.471 3.336 4.431 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.934 5.872 2.365 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.638 4.141 2.555 1.00 24.09 H new ATOM 962 N ILE A 61 11.326 1.809 2.515 1.00 11.08 N ATOM 963 CA ILE A 61 10.746 0.455 2.738 1.00 11.78 C ATOM 964 C ILE A 61 11.525 -0.688 2.031 1.00 13.74 C ATOM 965 O ILE A 61 11.712 -0.644 0.797 1.00 14.60 O ATOM 966 CB ILE A 61 9.283 0.374 2.406 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.641 1.376 3.327 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.693 -1.051 2.577 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.074 1.425 3.202 1.00 11.42 C ATOM 0 H ILE A 61 10.836 2.389 1.834 1.00 11.08 H new ATOM 0 HA ILE A 61 10.854 0.300 3.812 1.00 11.78 H new ATOM 0 HB ILE A 61 9.097 0.595 1.355 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.909 1.136 4.356 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.046 2.365 3.115 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.634 -1.039 2.321 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.218 -1.743 1.919 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.813 -1.373 3.612 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.677 2.168 3.894 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.799 1.695 2.182 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.659 0.446 3.443 1.00 11.42 H new ATOM 981 N GLN A 62 11.912 -1.752 2.748 1.00 13.97 N ATOM 982 CA GLN A 62 12.596 -2.835 2.143 1.00 15.52 C ATOM 983 C GLN A 62 11.817 -4.156 2.127 1.00 13.94 C ATOM 984 O GLN A 62 10.737 -4.240 2.687 1.00 12.15 O ATOM 985 CB GLN A 62 13.827 -3.182 3.024 1.00 19.53 C ATOM 986 CG GLN A 62 14.775 -1.978 3.296 1.00 26.38 C ATOM 987 CD GLN A 62 15.983 -2.356 4.222 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.993 -3.510 4.687 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.876 -1.445 4.542 1.00 32.71 N ATOM 0 H GLN A 62 11.749 -1.858 3.749 1.00 13.97 H new ATOM 0 HA GLN A 62 12.801 -2.504 1.125 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.478 -3.578 3.978 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.395 -3.975 2.539 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.155 -1.598 2.347 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.207 -1.171 3.758 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.823 -0.513 4.132 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.622 -1.671 5.200 1.00 32.71 H new ATOM 998 N LYS A 63 12.450 -5.232 1.525 1.00 11.73 N ATOM 999 CA LYS A 63 12.074 -6.683 1.669 1.00 11.97 C ATOM 1000 C LYS A 63 11.624 -7.069 3.077 1.00 10.41 C ATOM 1001 O LYS A 63 12.292 -6.723 4.088 1.00 9.59 O ATOM 1002 CB LYS A 63 13.157 -7.677 1.155 1.00 13.73 C ATOM 1003 CG LYS A 63 14.512 -7.735 1.950 1.00 16.98 C ATOM 1004 CD LYS A 63 15.510 -8.714 1.325 1.00 20.19 C ATOM 1005 CE LYS A 63 14.987 -10.127 1.465 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.081 -11.028 1.113 1.00 25.97 N ATOM 0 H LYS A 63 13.255 -5.102 0.912 1.00 11.73 H new ATOM 0 HA LYS A 63 11.211 -6.779 1.011 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.724 -8.677 1.152 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.383 -7.424 0.119 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.955 -6.739 1.983 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.314 -8.030 2.981 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.661 -8.473 0.273 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.480 -8.624 1.815 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.648 -10.313 2.484 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.131 -10.287 0.810 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.760 -12.014 1.197 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.381 -10.844 0.134 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.882 -10.869 1.756 1.00 25.97 H new ATOM 1020 N GLU A 64 10.516 -7.800 3.186 1.00 10.04 N ATOM 1021 CA GLU A 64 10.062 -8.387 4.407 1.00 10.94 C ATOM 1022 C GLU A 64 9.288 -7.386 5.236 1.00 9.74 C ATOM 1023 O GLU A 64 8.828 -7.648 6.389 1.00 9.42 O ATOM 1024 CB GLU A 64 11.145 -9.130 5.228 1.00 18.31 C ATOM 1025 CG GLU A 64 11.802 -10.181 4.365 1.00 24.16 C ATOM 1026 CD GLU A 64 13.110 -10.656 4.982 1.00 29.00 C ATOM 1027 OE1 GLU A 64 14.094 -9.920 5.009 1.00 31.72 O ATOM 1028 OE2 GLU A 64 13.238 -11.881 5.259 1.00 32.61 O ATOM 0 H GLU A 64 9.904 -7.995 2.393 1.00 10.04 H new ATOM 0 HA GLU A 64 9.382 -9.184 4.106 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.892 -8.422 5.589 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.696 -9.594 6.106 1.00 18.31 H new ATOM 0 HG2 GLU A 64 11.127 -11.027 4.240 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.991 -9.774 3.372 1.00 24.16 H new ATOM 1035 N SER A 65 9.075 -6.164 4.741 1.00 6.85 N ATOM 1036 CA SER A 65 8.341 -5.137 5.489 1.00 6.90 C ATOM 1037 C SER A 65 6.813 -5.289 5.379 1.00 4.72 C ATOM 1038 O SER A 65 6.259 -5.886 4.471 1.00 3.91 O ATOM 1039 CB SER A 65 8.504 -3.674 5.025 1.00 7.28 C ATOM 1040 OG SER A 65 9.895 -3.313 5.023 1.00 10.56 O ATOM 0 H SER A 65 9.401 -5.860 3.823 1.00 6.85 H new ATOM 0 HA SER A 65 8.774 -5.304 6.475 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.086 -3.552 4.026 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.948 -3.010 5.686 1.00 7.28 H new ATOM 0 HG SER A 65 10.257 -3.410 4.117 1.00 10.56 H new ATOM 1046 N THR A 66 6.126 -4.850 6.465 1.00 4.48 N ATOM 1047 CA THR A 66 4.664 -4.933 6.582 1.00 3.80 C ATOM 1048 C THR A 66 4.071 -3.572 6.687 1.00 4.60 C ATOM 1049 O THR A 66 4.450 -2.613 7.379 1.00 5.33 O ATOM 1050 CB THR A 66 4.187 -5.723 7.830 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.821 -6.998 7.721 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.663 -5.954 7.895 1.00 3.40 C ATOM 0 H THR A 66 6.578 -4.431 7.278 1.00 4.48 H new ATOM 0 HA THR A 66 4.337 -5.455 5.683 1.00 3.80 H new ATOM 0 HB THR A 66 4.439 -5.154 8.725 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.565 -7.557 8.484 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.418 -6.513 8.798 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.150 -4.993 7.913 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.343 -6.520 7.020 1.00 3.40 H new ATOM 1060 N LEU A 67 3.080 -3.415 5.838 1.00 4.17 N ATOM 1061 CA LEU A 67 2.300 -2.251 5.669 1.00 3.85 C ATOM 1062 C LEU A 67 0.931 -2.695 6.145 1.00 3.80 C ATOM 1063 O LEU A 67 0.613 -3.851 6.134 1.00 5.54 O ATOM 1064 CB LEU A 67 2.269 -1.673 4.224 1.00 7.18 C ATOM 1065 CG LEU A 67 3.497 -0.907 3.804 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.782 -1.654 3.826 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.271 -0.324 2.373 1.00 11.66 C ATOM 0 H LEU A 67 2.792 -4.165 5.210 1.00 4.17 H new ATOM 0 HA LEU A 67 2.717 -1.411 6.225 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.119 -2.496 3.525 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.404 -1.016 4.133 1.00 7.18 H new ATOM 0 HG LEU A 67 3.613 -0.132 4.561 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.590 -0.997 3.504 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.981 -2.005 4.838 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.718 -2.508 3.152 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.156 0.232 2.063 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.090 -1.139 1.672 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.409 0.343 2.384 1.00 11.66 H new ATOM 1079 N HIS A 68 0.112 -1.724 6.522 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.310 -1.815 6.851 1.00 4.17 C ATOM 1081 C HIS A 68 -2.130 -1.022 5.747 1.00 5.32 C ATOM 1082 O HIS A 68 -1.604 -0.303 4.889 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.655 -1.302 8.258 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.314 -2.234 9.377 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.019 -2.569 9.832 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -2.105 -3.148 10.017 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.144 -3.625 10.631 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.408 -4.015 10.766 1.00 16.30 N ATOM 0 H HIS A 68 0.452 -0.767 6.615 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.583 -2.870 6.857 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.134 -0.358 8.421 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.723 -1.088 8.297 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -3.181 -3.169 9.928 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.689 -4.112 11.116 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.766 -4.797 11.315 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.459 -1.333 5.687 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.315 -0.902 4.576 1.00 3.97 C ATOM 1098 C LEU A 69 -5.627 -0.587 5.131 1.00 5.07 C ATOM 1099 O LEU A 69 -6.155 -1.358 5.924 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.492 -2.096 3.619 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.599 -1.968 2.550 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.220 -1.037 1.334 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.889 -3.431 2.025 1.00 9.96 C ATOM 0 H LEU A 69 -3.944 -1.879 6.399 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.883 -0.046 4.058 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.544 -2.267 3.109 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.697 -2.984 4.217 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.468 -1.498 3.011 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.051 -1.002 0.630 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.009 -0.031 1.698 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.337 -1.434 0.833 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.668 -3.397 1.264 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.979 -3.850 1.595 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.220 -4.056 2.854 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.140 0.578 4.845 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.412 1.195 5.389 1.00 6.26 C ATOM 1117 C VAL A 70 -8.164 1.670 4.149 1.00 9.22 C ATOM 1118 O VAL A 70 -7.592 2.258 3.234 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.259 2.255 6.469 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.898 1.570 7.884 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.402 3.487 6.224 1.00 8.54 C ATOM 0 H VAL A 70 -5.679 1.200 4.181 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.966 0.451 5.961 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.252 2.705 6.460 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.792 2.342 8.646 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.696 0.885 8.171 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.962 1.019 7.793 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.418 4.123 7.109 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.377 3.181 6.015 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.796 4.041 5.372 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.533 1.546 4.169 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.308 2.004 3.065 1.00 16.06 C ATOM 1133 C LEU A 71 -11.209 3.172 3.413 1.00 18.09 C ATOM 1134 O LEU A 71 -11.817 3.191 4.473 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.105 0.879 2.369 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.368 -0.456 2.179 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.351 -1.487 1.591 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.080 -0.400 1.325 1.00 19.57 C ATOM 0 H LEU A 71 -10.069 1.138 4.935 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.573 2.366 2.346 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.010 0.692 2.947 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.421 1.238 1.390 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.020 -0.745 3.171 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.839 -2.439 1.451 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.189 -1.622 2.275 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.721 -1.130 0.630 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.644 -1.397 1.258 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.322 -0.042 0.324 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.364 0.278 1.790 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.231 4.270 2.587 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.988 5.457 2.867 1.00 25.83 C ATOM 1152 C ARG A 72 -13.299 5.255 2.228 1.00 27.74 C ATOM 1153 O ARG A 72 -13.467 5.250 0.963 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.187 6.639 2.157 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.803 8.046 2.270 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.910 9.107 1.694 1.00 34.05 C ATOM 1157 NE ARG A 72 -11.435 10.456 1.837 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.838 11.593 1.491 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.579 11.643 1.076 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -11.488 12.720 1.761 1.00 35.02 N ATOM 0 H ARG A 72 -10.708 4.318 1.713 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.125 5.677 3.926 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.182 6.671 2.577 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.083 6.395 1.100 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.763 8.062 1.754 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -12.001 8.270 3.318 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.936 9.053 2.180 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.750 8.899 0.636 1.00 34.05 H new ATOM 0 HE ARG A 72 -12.365 10.539 2.248 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.029 10.787 1.012 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -9.161 12.538 0.821 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -12.402 12.686 2.213 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -11.073 13.619 1.516 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.362 5.094 3.000 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.769 5.114 2.441 1.00 30.76 C ATOM 1176 C LEU A 73 -16.208 6.351 1.703 1.00 32.18 C ATOM 1177 O LEU A 73 -15.760 7.441 1.990 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.725 4.782 3.541 1.00 30.53 C ATOM 1179 CG LEU A 73 -18.191 4.666 3.174 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -18.437 3.500 2.161 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -19.024 4.311 4.400 1.00 29.11 C ATOM 0 H LEU A 73 -14.314 4.947 4.008 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.767 4.362 1.652 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.413 3.837 3.986 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -16.630 5.545 4.313 1.00 30.53 H new ATOM 0 HG LEU A 73 -18.472 5.629 2.748 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -19.499 3.446 1.920 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -17.867 3.683 1.250 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.117 2.558 2.606 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -20.074 4.232 4.116 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -18.685 3.358 4.806 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -18.910 5.089 5.155 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.008 6.220 0.599 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.487 7.251 -0.275 1.00 35.33 C ATOM 1195 C ARG A 74 -18.075 8.586 0.418 1.00 36.22 C ATOM 1196 O ARG A 74 -18.873 8.480 1.366 1.00 36.70 O ATOM 1197 CB ARG A 74 -18.507 6.668 -1.310 1.00 36.91 C ATOM 1198 CG ARG A 74 -18.158 5.410 -2.063 1.00 38.62 C ATOM 1199 CD ARG A 74 -17.088 5.594 -3.135 1.00 39.75 C ATOM 1200 NE ARG A 74 -15.771 5.525 -2.421 1.00 41.13 N ATOM 1201 CZ ARG A 74 -14.807 6.470 -2.508 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -14.683 7.355 -3.506 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -13.855 6.482 -1.624 1.00 41.93 N ATOM 0 H ARG A 74 -17.341 5.302 0.306 1.00 33.82 H new ATOM 0 HA ARG A 74 -16.584 7.602 -0.775 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -19.442 6.484 -0.780 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -18.706 7.446 -2.047 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.817 4.658 -1.352 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -19.061 5.019 -2.532 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -17.160 4.817 -3.896 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -17.206 6.551 -3.644 1.00 39.75 H new ATOM 0 HE ARG A 74 -15.590 4.713 -1.831 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -15.348 7.348 -4.279 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -13.924 8.036 -3.492 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -13.842 5.786 -0.879 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -13.120 7.188 -1.675 1.00 41.93 H new ATOM 1217 N GLY A 75 -17.635 9.806 -0.011 1.00 36.31 N ATOM 1218 CA GLY A 75 -18.343 11.023 0.159 1.00 36.07 C ATOM 1219 C GLY A 75 -17.680 11.825 1.307 1.00 36.16 C ATOM 1220 O GLY A 75 -17.947 12.960 1.558 1.00 36.26 O ATOM 0 H GLY A 75 -16.745 9.927 -0.495 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -18.328 11.602 -0.765 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -19.389 10.823 0.392 1.00 36.07 H new ATOM 1224 N GLY A 76 -16.731 11.172 2.036 1.00 36.05 N ATOM 1225 CA GLY A 76 -16.114 11.713 3.251 1.00 36.19 C ATOM 1226 C GLY A 76 -14.631 11.661 3.059 1.00 36.20 C ATOM 1227 O GLY A 76 -14.039 10.582 2.812 1.00 0.00 O ATOM 1228 OXT GLY A 76 -14.011 12.734 3.140 1.00 0.00 O ATOM 0 H GLY A 76 -16.380 10.249 1.783 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -16.443 12.737 3.425 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -16.409 11.130 4.124 1.00 36.19 H new TER 1232 GLY A 76