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 -71:sc= 1.16 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.374 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.00191 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 169:sc= 1.57 (180deg=1.06) USER MOD Set 3.2: A 12 THR OG1 : rot 90:sc= 0.458 USER MOD Single : A 1 MET CE :methyl -149:sc= -0.142 (180deg=-0.439) USER MOD Single : A 1 MET N :NH3+ 178:sc= 2.42 (180deg=2.24) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 11 LYS NZ :NH3+ 146:sc= 1.19 (180deg=-0.0915) 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 22 THR OG1 : rot -170:sc= 0.171 USER MOD Single : A 25 ASN : amide:sc= 0.408 K(o=0.41,f=-1.2) USER MOD Single : A 27 LYS NZ :NH3+ -160:sc= 1.38 (180deg=1.06) USER MOD Single : A 29 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0127) USER MOD Single : A 31 GLN : amide:sc= -0.75 K(o=-0.75,f=-1.5) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 41 GLN : amide:sc= 1.44 K(o=1.4,f=-3.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 155:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0116 X(o=-0.012,f=0) 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 42:sc= 1.4 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0178 X(o=-0.018,f=-0.018) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.410 -7.510 -5.266 1.00 9.67 N ATOM 2 CA MET A 1 11.358 -7.591 -3.741 1.00 10.38 C ATOM 3 C MET A 1 9.962 -7.805 -3.129 1.00 9.62 C ATOM 4 O MET A 1 9.000 -7.282 -3.609 1.00 9.62 O ATOM 5 CB MET A 1 11.967 -6.259 -3.192 1.00 13.77 C ATOM 6 CG MET A 1 12.037 -6.103 -1.712 1.00 16.29 C ATOM 7 SD MET A 1 12.662 -4.465 -1.188 1.00 17.17 S ATOM 8 CE MET A 1 10.953 -3.828 -1.041 1.00 16.11 C ATOM 0 H1 MET A 1 12.388 -7.332 -5.571 1.00 9.67 H new ATOM 0 H2 MET A 1 11.079 -8.408 -5.673 1.00 9.67 H new ATOM 0 H3 MET A 1 10.798 -6.735 -5.594 1.00 9.67 H new ATOM 0 HA MET A 1 11.919 -8.479 -3.452 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.977 -6.159 -3.591 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.383 -5.430 -3.592 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.044 -6.258 -1.290 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.683 -6.879 -1.302 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.942 -2.762 -1.266 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.307 -4.354 -1.744 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.591 -3.988 -0.025 1.00 16.11 H new ATOM 20 N GLN A 2 9.853 -8.579 -2.074 1.00 9.27 N ATOM 21 CA GLN A 2 8.620 -8.884 -1.443 1.00 9.07 C ATOM 22 C GLN A 2 8.139 -7.949 -0.334 1.00 8.72 C ATOM 23 O GLN A 2 8.941 -7.319 0.399 1.00 8.22 O ATOM 24 CB GLN A 2 8.798 -10.333 -0.834 1.00 14.46 C ATOM 25 CG GLN A 2 7.510 -10.907 -0.170 1.00 17.01 C ATOM 26 CD GLN A 2 7.713 -12.366 0.113 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.120 -12.698 1.225 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.373 -13.258 -0.849 1.00 19.49 N ATOM 0 H GLN A 2 10.656 -9.021 -1.628 1.00 9.27 H new ATOM 0 HA GLN A 2 7.852 -8.781 -2.210 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.119 -11.011 -1.625 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.596 -10.308 -0.092 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.292 -10.371 0.754 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.653 -10.767 -0.829 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.041 -12.929 -1.755 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.449 -14.259 -0.667 1.00 19.49 H new ATOM 37 N ILE A 3 6.860 -7.675 -0.253 1.00 5.87 N ATOM 38 CA ILE A 3 6.286 -6.939 0.897 1.00 5.07 C ATOM 39 C ILE A 3 4.962 -7.608 1.246 1.00 4.01 C ATOM 40 O ILE A 3 4.424 -8.350 0.449 1.00 4.61 O ATOM 41 CB ILE A 3 6.033 -5.430 0.709 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.256 -5.194 -0.556 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.358 -4.709 0.535 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.672 -3.776 -0.717 1.00 10.83 C ATOM 0 H ILE A 3 6.177 -7.943 -0.962 1.00 5.87 H new ATOM 0 HA ILE A 3 7.042 -6.989 1.681 1.00 5.07 H new ATOM 0 HB ILE A 3 5.489 -5.067 1.581 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.907 -5.400 -1.406 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.438 -5.913 -0.600 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.177 -3.642 0.402 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.976 -4.865 1.419 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.873 -5.101 -0.342 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.131 -3.710 -1.661 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.990 -3.568 0.107 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.482 -3.046 -0.711 1.00 10.83 H new ATOM 56 N PHE A 4 4.447 -7.319 2.442 1.00 4.55 N ATOM 57 CA PHE A 4 3.303 -7.984 3.031 1.00 4.68 C ATOM 58 C PHE A 4 2.283 -6.903 3.391 1.00 5.30 C ATOM 59 O PHE A 4 2.484 -6.064 4.277 1.00 5.58 O ATOM 60 CB PHE A 4 3.659 -8.765 4.281 1.00 4.83 C ATOM 61 CG PHE A 4 4.522 -9.990 4.016 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.170 -10.943 3.067 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.719 -10.191 4.696 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.939 -12.120 2.867 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.542 -11.335 4.507 1.00 10.61 C ATOM 66 CZ PHE A 4 6.097 -12.347 3.650 1.00 8.90 C ATOM 0 H PHE A 4 4.834 -6.590 3.041 1.00 4.55 H new ATOM 0 HA PHE A 4 2.909 -8.701 2.311 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.183 -8.106 4.973 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.740 -9.080 4.775 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.287 -10.784 2.465 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.039 -9.440 5.403 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.641 -12.840 2.119 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.491 -11.421 5.015 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.628 -13.286 3.587 1.00 8.90 H new ATOM 76 N VAL A 5 1.100 -6.972 2.797 1.00 4.44 N ATOM 77 CA VAL A 5 0.066 -5.998 2.988 1.00 3.87 C ATOM 78 C VAL A 5 -0.988 -6.682 3.873 1.00 4.93 C ATOM 79 O VAL A 5 -1.475 -7.744 3.539 1.00 6.84 O ATOM 80 CB VAL A 5 -0.627 -5.622 1.656 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.780 -4.629 1.919 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.463 -5.079 0.668 1.00 9.13 C ATOM 0 H VAL A 5 0.840 -7.725 2.160 1.00 4.44 H new ATOM 0 HA VAL A 5 0.490 -5.091 3.418 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.089 -6.492 1.189 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.261 -4.371 0.975 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.511 -5.088 2.585 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.384 -3.726 2.383 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.006 -4.808 -0.278 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.941 -4.200 1.101 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.213 -5.851 0.493 1.00 9.13 H new ATOM 92 N LYS A 6 -1.303 -6.043 5.020 1.00 6.04 N ATOM 93 CA LYS A 6 -2.175 -6.592 6.029 1.00 6.12 C ATOM 94 C LYS A 6 -3.492 -5.833 6.031 1.00 6.57 C ATOM 95 O LYS A 6 -3.531 -4.648 6.311 1.00 5.76 O ATOM 96 CB LYS A 6 -1.527 -6.650 7.403 1.00 7.45 C ATOM 97 CG LYS A 6 -2.381 -7.238 8.504 1.00 11.12 C ATOM 98 CD LYS A 6 -2.488 -8.760 8.257 1.00 14.54 C ATOM 99 CE LYS A 6 -2.532 -9.490 9.517 1.00 18.84 C ATOM 100 NZ LYS A 6 -2.624 -10.964 9.233 1.00 20.55 N ATOM 0 H LYS A 6 -0.943 -5.118 5.255 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.378 -7.632 5.775 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.610 -7.234 7.328 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.239 -5.639 7.692 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.937 -7.040 9.479 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.370 -6.781 8.506 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -3.384 -8.976 7.676 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.636 -9.097 7.666 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.640 -9.276 10.106 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -3.389 -9.167 10.108 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.469 -11.497 10.112 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -3.567 -11.187 8.855 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.900 -11.229 8.535 1.00 20.55 H new ATOM 114 N THR A 7 -4.648 -6.532 5.809 1.00 7.41 N ATOM 115 CA THR A 7 -5.979 -5.936 5.667 1.00 7.48 C ATOM 116 C THR A 7 -6.617 -5.706 6.984 1.00 8.75 C ATOM 117 O THR A 7 -6.278 -6.307 7.969 1.00 8.58 O ATOM 118 CB THR A 7 -6.980 -6.691 4.831 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.383 -7.905 5.462 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.335 -6.979 3.520 1.00 9.17 C ATOM 0 H THR A 7 -4.660 -7.548 5.725 1.00 7.41 H new ATOM 0 HA THR A 7 -5.750 -5.011 5.137 1.00 7.48 H new ATOM 0 HB THR A 7 -7.880 -6.090 4.702 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.033 -8.369 4.894 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.031 -7.527 2.885 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.062 -6.042 3.035 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.440 -7.580 3.679 1.00 9.17 H new ATOM 128 N LEU A 8 -7.662 -4.796 7.051 1.00 9.84 N ATOM 129 CA LEU A 8 -8.369 -4.473 8.273 1.00 14.15 C ATOM 130 C LEU A 8 -9.006 -5.744 8.899 1.00 17.37 C ATOM 131 O LEU A 8 -8.787 -6.028 10.083 1.00 17.01 O ATOM 132 CB LEU A 8 -9.377 -3.355 7.953 1.00 16.63 C ATOM 133 CG LEU A 8 -9.984 -2.617 9.113 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.882 -3.478 10.051 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.002 -1.898 9.997 1.00 18.59 C ATOM 0 H LEU A 8 -8.007 -4.288 6.237 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.688 -4.101 9.039 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.879 -2.626 7.313 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.188 -3.790 7.369 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.599 -1.893 8.578 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.271 -2.854 10.855 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.712 -3.893 9.479 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.292 -4.290 10.475 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -9.537 -1.397 10.804 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.299 -2.616 10.419 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.457 -1.159 9.410 1.00 18.59 H new ATOM 147 N THR A 9 -9.693 -6.634 8.149 1.00 18.33 N ATOM 148 CA THR A 9 -10.226 -7.923 8.593 1.00 19.24 C ATOM 149 C THR A 9 -9.167 -9.055 8.741 1.00 19.48 C ATOM 150 O THR A 9 -9.420 -10.068 9.293 1.00 23.14 O ATOM 151 CB THR A 9 -11.388 -8.426 7.838 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.064 -8.395 6.441 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.623 -7.534 8.123 1.00 19.70 C ATOM 0 H THR A 9 -9.897 -6.454 7.166 1.00 18.33 H new ATOM 0 HA THR A 9 -10.580 -7.663 9.591 1.00 19.24 H new ATOM 0 HB THR A 9 -11.624 -9.446 8.140 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.825 -8.728 5.921 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.480 -7.909 7.563 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.849 -7.555 9.189 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.410 -6.510 7.817 1.00 19.70 H new ATOM 161 N GLY A 10 -7.849 -8.859 8.319 1.00 19.43 N ATOM 162 CA GLY A 10 -6.682 -9.696 8.715 1.00 18.74 C ATOM 163 C GLY A 10 -5.992 -10.570 7.672 1.00 17.62 C ATOM 164 O GLY A 10 -5.169 -11.373 7.992 1.00 19.74 O ATOM 0 H GLY A 10 -7.591 -8.100 7.688 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.928 -9.028 9.131 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.009 -10.350 9.523 1.00 18.74 H new ATOM 168 N LYS A 11 -6.289 -10.452 6.402 1.00 13.56 N ATOM 169 CA LYS A 11 -5.505 -11.136 5.363 1.00 11.91 C ATOM 170 C LYS A 11 -4.127 -10.546 5.122 1.00 10.18 C ATOM 171 O LYS A 11 -3.982 -9.320 5.023 1.00 9.10 O ATOM 172 CB LYS A 11 -6.144 -11.073 3.945 1.00 13.43 C ATOM 173 CG LYS A 11 -5.656 -12.158 3.003 1.00 16.69 C ATOM 174 CD LYS A 11 -6.227 -12.027 1.542 1.00 17.92 C ATOM 175 CE LYS A 11 -7.754 -12.250 1.392 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.114 -12.405 -0.060 1.00 21.93 N ATOM 0 H LYS A 11 -7.065 -9.893 6.047 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.464 -12.145 5.773 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.227 -11.149 4.041 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -5.931 -10.099 3.504 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.567 -12.130 2.963 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.935 -13.131 3.407 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -5.985 -11.033 1.165 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -5.710 -12.744 0.904 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.056 -13.139 1.946 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -8.296 -11.407 1.821 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.903 -13.076 -0.152 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.397 -11.482 -0.448 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.291 -12.764 -0.585 1.00 21.93 H new ATOM 190 N THR A 12 -3.059 -11.408 5.084 1.00 9.63 N ATOM 191 CA THR A 12 -1.686 -11.102 4.695 1.00 9.85 C ATOM 192 C THR A 12 -1.474 -11.465 3.284 1.00 11.66 C ATOM 193 O THR A 12 -1.575 -12.599 2.846 1.00 12.33 O ATOM 194 CB THR A 12 -0.580 -11.769 5.531 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.900 -11.664 6.853 1.00 10.91 O ATOM 196 CG2 THR A 12 0.679 -10.954 5.339 1.00 9.63 C ATOM 0 H THR A 12 -3.167 -12.388 5.345 1.00 9.63 H new ATOM 0 HA THR A 12 -1.592 -10.031 4.874 1.00 9.85 H new ATOM 0 HB THR A 12 -0.460 -12.811 5.234 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.429 -12.443 7.124 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.490 -11.396 5.918 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.949 -10.945 4.283 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.506 -9.932 5.678 1.00 9.63 H new ATOM 204 N ILE A 13 -1.230 -10.414 2.472 1.00 10.42 N ATOM 205 CA ILE A 13 -1.245 -10.484 0.994 1.00 11.84 C ATOM 206 C ILE A 13 0.195 -10.289 0.566 1.00 10.55 C ATOM 207 O ILE A 13 0.764 -9.211 0.775 1.00 11.92 O ATOM 208 CB ILE A 13 -2.088 -9.409 0.355 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.548 -9.439 0.903 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.093 -9.566 -1.175 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.351 -8.213 0.715 1.00 16.46 C ATOM 0 H ILE A 13 -1.015 -9.483 2.828 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.675 -11.435 0.681 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.648 -8.445 0.609 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.074 -10.267 0.427 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.507 -9.659 1.970 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.706 -8.782 -1.619 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.073 -9.487 -1.552 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.503 -10.541 -1.439 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.345 -8.360 1.138 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.863 -7.378 1.217 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.438 -7.995 -0.349 1.00 16.46 H new ATOM 223 N THR A 14 0.873 -11.294 -0.011 1.00 9.39 N ATOM 224 CA THR A 14 2.241 -11.185 -0.540 1.00 9.63 C ATOM 225 C THR A 14 2.241 -10.275 -1.751 1.00 11.20 C ATOM 226 O THR A 14 1.535 -10.591 -2.709 1.00 11.63 O ATOM 227 CB THR A 14 2.741 -12.443 -1.054 1.00 10.38 C ATOM 228 OG1 THR A 14 2.758 -13.429 0.007 1.00 16.30 O ATOM 229 CG2 THR A 14 4.253 -12.303 -1.348 1.00 11.66 C ATOM 0 H THR A 14 0.475 -12.226 -0.125 1.00 9.39 H new ATOM 0 HA THR A 14 2.851 -10.828 0.289 1.00 9.63 H new ATOM 0 HB THR A 14 2.125 -12.710 -1.913 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.095 -14.280 -0.343 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.637 -13.247 -1.736 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.409 -11.517 -2.087 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.780 -12.047 -0.429 1.00 11.66 H new ATOM 237 N LEU A 15 3.036 -9.193 -1.901 1.00 8.29 N ATOM 238 CA LEU A 15 3.161 -8.488 -3.170 1.00 9.03 C ATOM 239 C LEU A 15 4.574 -8.603 -3.671 1.00 8.59 C ATOM 240 O LEU A 15 5.430 -9.153 -2.995 1.00 7.79 O ATOM 241 CB LEU A 15 2.838 -6.908 -3.145 1.00 11.08 C ATOM 242 CG LEU A 15 1.410 -6.616 -2.680 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.207 -5.109 -2.670 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.323 -7.225 -3.547 1.00 15.27 C ATOM 0 H LEU A 15 3.598 -8.797 -1.148 1.00 8.29 H new ATOM 0 HA LEU A 15 2.414 -8.967 -3.802 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.543 -6.405 -2.483 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.985 -6.493 -4.142 1.00 11.08 H new ATOM 0 HG LEU A 15 1.315 -7.069 -1.693 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.193 -4.881 -2.341 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.922 -4.650 -1.988 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.360 -4.715 -3.675 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.655 -6.965 -3.141 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.408 -6.838 -4.563 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.434 -8.309 -3.561 1.00 15.27 H new ATOM 256 N GLU A 16 4.828 -8.222 -4.959 1.00 11.04 N ATOM 257 CA GLU A 16 6.155 -8.313 -5.584 1.00 11.50 C ATOM 258 C GLU A 16 6.412 -6.924 -6.231 1.00 10.13 C ATOM 259 O GLU A 16 5.847 -6.514 -7.242 1.00 9.83 O ATOM 260 CB GLU A 16 6.205 -9.484 -6.537 1.00 17.22 C ATOM 261 CG GLU A 16 7.623 -9.682 -7.085 1.00 23.33 C ATOM 262 CD GLU A 16 8.713 -10.064 -6.072 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.548 -11.085 -5.401 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.722 -9.360 -6.048 1.00 28.86 O ATOM 0 H GLU A 16 4.111 -7.846 -5.579 1.00 11.04 H new ATOM 0 HA GLU A 16 6.957 -8.519 -4.876 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.879 -10.389 -6.025 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.512 -9.317 -7.362 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.585 -10.457 -7.851 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.928 -8.759 -7.579 1.00 23.33 H new ATOM 271 N VAL A 17 7.270 -6.209 -5.529 1.00 8.99 N ATOM 272 CA VAL A 17 7.552 -4.792 -5.696 1.00 8.85 C ATOM 273 C VAL A 17 9.037 -4.569 -5.813 1.00 8.04 C ATOM 274 O VAL A 17 9.894 -5.355 -5.496 1.00 8.99 O ATOM 275 CB VAL A 17 7.096 -3.806 -4.582 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.565 -4.033 -4.421 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.809 -4.109 -3.283 1.00 10.54 C ATOM 0 H VAL A 17 7.824 -6.626 -4.780 1.00 8.99 H new ATOM 0 HA VAL A 17 6.963 -4.565 -6.585 1.00 8.85 H new ATOM 0 HB VAL A 17 7.327 -2.773 -4.842 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.178 -3.368 -3.649 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.065 -3.822 -5.366 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.379 -5.068 -4.135 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.478 -3.410 -2.515 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.579 -5.127 -2.970 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.885 -4.008 -3.426 1.00 10.54 H new ATOM 287 N GLU A 18 9.416 -3.422 -6.340 1.00 7.29 N ATOM 288 CA GLU A 18 10.680 -2.826 -6.322 1.00 7.08 C ATOM 289 C GLU A 18 10.680 -1.541 -5.435 1.00 6.45 C ATOM 290 O GLU A 18 9.648 -0.922 -5.367 1.00 5.28 O ATOM 291 CB GLU A 18 10.926 -2.460 -7.823 1.00 10.28 C ATOM 292 CG GLU A 18 12.311 -1.824 -8.098 1.00 12.65 C ATOM 293 CD GLU A 18 13.495 -2.749 -8.180 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.391 -3.766 -8.937 1.00 18.17 O ATOM 295 OE2 GLU A 18 14.482 -2.548 -7.442 1.00 14.33 O ATOM 0 H GLU A 18 8.745 -2.841 -6.843 1.00 7.29 H new ATOM 0 HA GLU A 18 11.450 -3.476 -5.905 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.825 -3.362 -8.427 1.00 10.28 H new ATOM 0 HB3 GLU A 18 10.149 -1.769 -8.150 1.00 10.28 H new ATOM 0 HG2 GLU A 18 12.248 -1.274 -9.037 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.508 -1.094 -7.313 1.00 12.65 H new ATOM 302 N PRO A 19 11.774 -1.190 -4.761 1.00 7.24 N ATOM 303 CA PRO A 19 11.872 0.020 -3.954 1.00 7.07 C ATOM 304 C PRO A 19 11.360 1.328 -4.611 1.00 6.65 C ATOM 305 O PRO A 19 10.704 2.118 -3.908 1.00 6.37 O ATOM 306 CB PRO A 19 13.297 0.090 -3.596 1.00 7.61 C ATOM 307 CG PRO A 19 13.665 -1.374 -3.346 1.00 8.16 C ATOM 308 CD PRO A 19 12.816 -2.098 -4.392 1.00 7.49 C ATOM 0 HA PRO A 19 11.204 -0.051 -3.096 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.893 0.524 -4.399 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.460 0.704 -2.710 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.730 -1.557 -3.487 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.419 -1.689 -2.332 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.417 -2.373 -5.259 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.402 -3.021 -3.986 1.00 7.49 H new ATOM 316 N SER A 20 11.525 1.522 -5.942 1.00 6.80 N ATOM 317 CA SER A 20 11.045 2.634 -6.761 1.00 6.28 C ATOM 318 C SER A 20 9.682 2.380 -7.461 1.00 8.45 C ATOM 319 O SER A 20 9.363 3.189 -8.355 1.00 7.26 O ATOM 320 CB SER A 20 12.053 3.036 -7.828 1.00 8.57 C ATOM 321 OG SER A 20 13.199 3.664 -7.306 1.00 11.13 O ATOM 0 H SER A 20 12.040 0.844 -6.504 1.00 6.80 H new ATOM 0 HA SER A 20 10.907 3.439 -6.039 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.356 2.149 -8.384 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.571 3.708 -8.538 1.00 8.57 H new ATOM 0 HG SER A 20 13.807 3.896 -8.039 1.00 11.13 H new ATOM 327 N ASP A 21 8.842 1.400 -7.102 1.00 7.50 N ATOM 328 CA ASP A 21 7.401 1.380 -7.284 1.00 7.70 C ATOM 329 C ASP A 21 6.704 2.512 -6.554 1.00 7.08 C ATOM 330 O ASP A 21 6.959 2.715 -5.361 1.00 8.11 O ATOM 331 CB ASP A 21 6.713 0.053 -6.908 1.00 11.00 C ATOM 332 CG ASP A 21 6.735 -0.968 -7.965 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.344 -0.679 -9.132 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.228 -2.112 -7.714 1.00 14.36 O ATOM 0 H ASP A 21 9.181 0.551 -6.649 1.00 7.50 H new ATOM 0 HA ASP A 21 7.292 1.508 -8.361 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.196 -0.353 -6.019 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.676 0.259 -6.641 1.00 11.00 H new ATOM 339 N THR A 22 5.729 3.223 -7.185 1.00 5.37 N ATOM 340 CA THR A 22 4.994 4.272 -6.467 1.00 6.01 C ATOM 341 C THR A 22 3.980 3.689 -5.537 1.00 8.01 C ATOM 342 O THR A 22 3.583 2.520 -5.679 1.00 8.11 O ATOM 343 CB THR A 22 4.264 5.317 -7.319 1.00 8.92 C ATOM 344 OG1 THR A 22 3.513 4.646 -8.322 1.00 10.22 O ATOM 345 CG2 THR A 22 5.355 6.189 -8.011 1.00 9.65 C ATOM 0 H THR A 22 5.449 3.087 -8.156 1.00 5.37 H new ATOM 0 HA THR A 22 5.799 4.792 -5.948 1.00 6.01 H new ATOM 0 HB THR A 22 3.598 5.928 -6.709 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.171 5.300 -8.967 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.876 6.948 -8.629 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.969 6.674 -7.252 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.984 5.556 -8.636 1.00 9.65 H new ATOM 353 N ILE A 23 3.500 4.440 -4.546 1.00 8.32 N ATOM 354 CA ILE A 23 2.427 4.008 -3.671 1.00 9.92 C ATOM 355 C ILE A 23 1.154 3.742 -4.484 1.00 10.01 C ATOM 356 O ILE A 23 0.377 2.838 -4.134 1.00 8.71 O ATOM 357 CB ILE A 23 2.184 4.946 -2.494 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.361 5.143 -1.569 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.993 4.408 -1.613 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.919 3.829 -0.977 1.00 12.30 C ATOM 0 H ILE A 23 3.853 5.373 -4.332 1.00 8.32 H new ATOM 0 HA ILE A 23 2.743 3.071 -3.213 1.00 9.92 H new ATOM 0 HB ILE A 23 1.971 5.908 -2.959 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.157 5.652 -2.113 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.063 5.800 -0.752 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.826 5.084 -0.774 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.089 4.352 -2.219 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.239 3.416 -1.235 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.762 4.053 -0.324 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.139 3.328 -0.404 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.250 3.177 -1.786 1.00 12.30 H new ATOM 372 N GLU A 24 0.927 4.543 -5.587 1.00 9.54 N ATOM 373 CA GLU A 24 -0.086 4.360 -6.576 1.00 11.81 C ATOM 374 C GLU A 24 0.058 2.999 -7.201 1.00 11.14 C ATOM 375 O GLU A 24 -0.911 2.246 -7.323 1.00 10.62 O ATOM 376 CB GLU A 24 0.115 5.450 -7.683 1.00 19.24 C ATOM 377 CG GLU A 24 -0.806 5.332 -8.876 1.00 27.76 C ATOM 378 CD GLU A 24 -0.192 6.084 -10.013 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.344 7.322 -10.097 1.00 36.51 O ATOM 380 OE2 GLU A 24 0.373 5.486 -10.936 1.00 34.80 O ATOM 0 H GLU A 24 1.503 5.364 -5.775 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.073 4.445 -6.122 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.024 6.433 -7.232 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.146 5.403 -8.034 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.948 4.285 -9.145 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.790 5.737 -8.639 1.00 27.76 H new ATOM 387 N ASN A 25 1.251 2.591 -7.664 1.00 9.43 N ATOM 388 CA ASN A 25 1.572 1.260 -8.224 1.00 10.96 C ATOM 389 C ASN A 25 1.309 0.128 -7.235 1.00 9.68 C ATOM 390 O ASN A 25 0.771 -0.897 -7.604 1.00 9.33 O ATOM 391 CB ASN A 25 3.027 1.101 -8.581 1.00 16.78 C ATOM 392 CG ASN A 25 3.385 1.813 -9.866 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.571 2.574 -10.415 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.649 1.581 -10.266 1.00 24.70 N ATOM 0 H ASN A 25 2.062 3.210 -7.659 1.00 9.43 H new ATOM 0 HA ASN A 25 0.930 1.202 -9.103 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.642 1.490 -7.770 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.261 0.041 -8.679 1.00 16.78 H new ATOM 0 HD21 ASN A 25 5.017 2.052 -11.093 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.239 0.934 -9.743 1.00 24.70 H new ATOM 401 N VAL A 26 1.521 0.313 -5.924 1.00 6.52 N ATOM 402 CA VAL A 26 1.353 -0.713 -4.866 1.00 5.53 C ATOM 403 C VAL A 26 -0.127 -0.859 -4.568 1.00 4.42 C ATOM 404 O VAL A 26 -0.649 -1.983 -4.515 1.00 3.40 O ATOM 405 CB VAL A 26 2.155 -0.376 -3.647 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.677 -1.108 -2.341 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.622 -0.725 -4.018 1.00 8.12 C ATOM 0 H VAL A 26 1.826 1.212 -5.550 1.00 6.52 H new ATOM 0 HA VAL A 26 1.735 -1.673 -5.214 1.00 5.53 H new ATOM 0 HB VAL A 26 2.034 0.677 -3.392 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.309 -0.810 -1.505 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.643 -0.836 -2.129 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.747 -2.187 -2.482 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.273 -0.505 -3.172 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.693 -1.784 -4.264 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.931 -0.131 -4.878 1.00 8.12 H new ATOM 417 N LYS A 27 -0.847 0.228 -4.615 1.00 2.64 N ATOM 418 CA LYS A 27 -2.309 0.227 -4.658 1.00 4.14 C ATOM 419 C LYS A 27 -2.877 -0.324 -5.906 1.00 5.58 C ATOM 420 O LYS A 27 -3.893 -1.075 -5.843 1.00 4.11 O ATOM 421 CB LYS A 27 -2.897 1.626 -4.433 1.00 3.97 C ATOM 422 CG LYS A 27 -2.703 2.211 -2.998 1.00 7.45 C ATOM 423 CD LYS A 27 -3.267 3.630 -2.881 1.00 9.02 C ATOM 424 CE LYS A 27 -2.899 4.444 -1.617 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.436 5.775 -1.691 1.00 15.47 N ATOM 0 H LYS A 27 -0.440 1.163 -4.625 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.593 -0.434 -3.839 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.445 2.311 -5.150 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.964 1.593 -4.652 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.195 1.563 -2.272 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.642 2.220 -2.750 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.938 4.196 -3.753 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.354 3.565 -2.935 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.284 3.941 -0.730 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.815 4.490 -1.512 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.919 6.395 -1.035 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.336 6.136 -2.661 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.443 5.758 -1.430 1.00 15.47 H new ATOM 439 N ALA A 28 -2.302 -0.063 -7.077 1.00 6.61 N ATOM 440 CA ALA A 28 -2.723 -0.736 -8.281 1.00 7.74 C ATOM 441 C ALA A 28 -2.486 -2.271 -8.290 1.00 9.17 C ATOM 442 O ALA A 28 -3.335 -2.972 -8.827 1.00 11.45 O ATOM 443 CB ALA A 28 -1.913 -0.064 -9.394 1.00 7.68 C ATOM 0 H ALA A 28 -1.546 0.609 -7.208 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.803 -0.644 -8.395 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.169 -0.514 -10.353 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.144 1.001 -9.420 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.849 -0.200 -9.202 1.00 7.68 H new ATOM 449 N LYS A 29 -1.475 -2.852 -7.604 1.00 8.96 N ATOM 450 CA LYS A 29 -1.309 -4.287 -7.349 1.00 7.90 C ATOM 451 C LYS A 29 -2.316 -4.883 -6.408 1.00 6.92 C ATOM 452 O LYS A 29 -2.836 -5.990 -6.581 1.00 6.87 O ATOM 453 CB LYS A 29 0.065 -4.611 -6.748 1.00 10.28 C ATOM 454 CG LYS A 29 1.229 -4.283 -7.693 1.00 14.94 C ATOM 455 CD LYS A 29 2.692 -4.424 -7.090 1.00 19.69 C ATOM 456 CE LYS A 29 3.840 -3.972 -7.971 1.00 22.63 C ATOM 457 NZ LYS A 29 3.693 -4.432 -9.403 1.00 24.98 N ATOM 0 H LYS A 29 -0.721 -2.299 -7.197 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.440 -4.721 -8.340 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.190 -4.052 -5.820 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.102 -5.669 -6.490 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.155 -4.934 -8.564 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.103 -3.260 -8.047 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.733 -3.856 -6.161 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.854 -5.470 -6.831 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.904 -2.884 -7.948 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.776 -4.355 -7.565 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.536 -4.154 -9.945 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.591 -5.467 -9.427 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.850 -3.992 -9.824 1.00 24.98 H new ATOM 471 N ILE A 30 -2.646 -4.110 -5.323 1.00 4.57 N ATOM 472 CA ILE A 30 -3.693 -4.477 -4.400 1.00 5.58 C ATOM 473 C ILE A 30 -5.112 -4.582 -5.026 1.00 7.26 C ATOM 474 O ILE A 30 -5.939 -5.453 -4.725 1.00 9.46 O ATOM 475 CB ILE A 30 -3.700 -3.607 -3.178 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.428 -3.830 -2.378 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.860 -4.024 -2.233 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.049 -2.709 -1.389 1.00 2.00 C ATOM 0 H ILE A 30 -2.180 -3.232 -5.095 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.439 -5.493 -4.098 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.799 -2.574 -3.511 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.531 -4.761 -1.820 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.602 -3.967 -3.076 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.856 -3.386 -1.349 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.811 -3.916 -2.755 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.728 -5.063 -1.931 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.126 -2.975 -0.874 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.905 -1.776 -1.934 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.848 -2.583 -0.659 1.00 2.00 H new ATOM 490 N GLN A 31 -5.434 -3.677 -5.948 1.00 7.06 N ATOM 491 CA GLN A 31 -6.596 -3.782 -6.771 1.00 8.67 C ATOM 492 C GLN A 31 -6.538 -5.107 -7.568 1.00 10.90 C ATOM 493 O GLN A 31 -7.447 -5.930 -7.522 1.00 9.63 O ATOM 494 CB GLN A 31 -6.778 -2.550 -7.684 1.00 9.12 C ATOM 495 CG GLN A 31 -8.170 -2.614 -8.431 1.00 10.76 C ATOM 496 CD GLN A 31 -8.385 -1.332 -9.251 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.433 -0.698 -9.137 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.424 -0.887 -10.094 1.00 14.76 N ATOM 0 H GLN A 31 -4.874 -2.844 -6.133 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.479 -3.800 -6.133 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.719 -1.638 -7.090 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.969 -2.508 -8.413 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.201 -3.484 -9.086 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.976 -2.732 -7.707 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.552 -1.407 -10.194 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.571 -0.031 -10.629 1.00 14.76 H new ATOM 507 N ASP A 32 -5.429 -5.386 -8.223 1.00 10.93 N ATOM 508 CA ASP A 32 -5.204 -6.641 -8.938 1.00 14.01 C ATOM 509 C ASP A 32 -5.320 -7.950 -8.066 1.00 14.04 C ATOM 510 O ASP A 32 -5.988 -8.891 -8.456 1.00 13.39 O ATOM 511 CB ASP A 32 -3.965 -6.476 -9.838 1.00 18.01 C ATOM 512 CG ASP A 32 -3.817 -7.699 -10.694 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.681 -7.920 -11.608 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.874 -8.480 -10.453 1.00 26.29 O ATOM 0 H ASP A 32 -4.641 -4.741 -8.279 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.044 -6.838 -9.604 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.069 -5.589 -10.463 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.073 -6.333 -9.228 1.00 18.01 H new ATOM 519 N LYS A 33 -4.741 -7.972 -6.838 1.00 14.22 N ATOM 520 CA LYS A 33 -4.940 -9.008 -5.806 1.00 14.00 C ATOM 521 C LYS A 33 -6.407 -9.118 -5.345 1.00 12.37 C ATOM 522 O LYS A 33 -6.965 -10.231 -5.361 1.00 12.17 O ATOM 523 CB LYS A 33 -4.021 -8.852 -4.527 1.00 18.62 C ATOM 524 CG LYS A 33 -2.549 -8.907 -4.794 1.00 24.00 C ATOM 525 CD LYS A 33 -1.959 -10.363 -4.941 1.00 27.61 C ATOM 526 CE LYS A 33 -0.496 -10.468 -5.388 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.132 -11.883 -5.331 1.00 30.06 N ATOM 0 H LYS A 33 -4.100 -7.239 -6.534 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.644 -9.923 -6.318 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.252 -7.902 -4.046 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.276 -9.639 -3.817 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.338 -8.350 -5.707 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.027 -8.398 -3.983 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.059 -10.870 -3.981 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.574 -10.909 -5.656 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.373 -10.079 -6.399 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.149 -9.877 -4.738 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.858 -11.999 -5.628 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.245 -12.231 -4.358 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.750 -12.426 -5.967 1.00 30.06 H new ATOM 541 N GLU A 34 -6.959 -8.008 -4.825 1.00 10.11 N ATOM 542 CA GLU A 34 -8.206 -8.122 -4.019 1.00 10.07 C ATOM 543 C GLU A 34 -9.412 -7.416 -4.592 1.00 9.32 C ATOM 544 O GLU A 34 -10.511 -7.599 -4.045 1.00 11.61 O ATOM 545 CB GLU A 34 -8.058 -7.417 -2.640 1.00 14.77 C ATOM 546 CG GLU A 34 -7.008 -8.043 -1.708 1.00 18.75 C ATOM 547 CD GLU A 34 -7.275 -9.472 -1.376 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.331 -9.746 -0.718 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.498 -10.380 -1.775 1.00 21.95 O ATOM 0 H GLU A 34 -6.591 -7.063 -4.934 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.351 -9.202 -3.982 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.798 -6.372 -2.808 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.024 -7.428 -2.136 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.027 -7.966 -2.177 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.966 -7.467 -0.784 1.00 18.75 H new ATOM 556 N GLY A 35 -9.296 -6.607 -5.654 1.00 7.22 N ATOM 557 CA GLY A 35 -10.524 -6.037 -6.262 1.00 6.29 C ATOM 558 C GLY A 35 -10.885 -4.820 -5.603 1.00 6.93 C ATOM 559 O GLY A 35 -12.015 -4.403 -5.614 1.00 7.41 O ATOM 0 H GLY A 35 -8.418 -6.338 -6.097 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.359 -5.849 -7.323 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.341 -6.755 -6.189 1.00 6.29 H new ATOM 563 N ILE A 36 -9.941 -4.056 -5.049 1.00 5.86 N ATOM 564 CA ILE A 36 -10.270 -2.869 -4.349 1.00 6.07 C ATOM 565 C ILE A 36 -9.707 -1.708 -5.053 1.00 6.36 C ATOM 566 O ILE A 36 -8.477 -1.645 -5.166 1.00 6.18 O ATOM 567 CB ILE A 36 -9.668 -2.948 -2.979 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.108 -4.201 -2.207 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.981 -1.656 -2.149 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.464 -4.343 -0.811 1.00 9.49 C ATOM 0 H ILE A 36 -8.943 -4.263 -5.087 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.353 -2.762 -4.286 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.590 -3.023 -3.122 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.192 -4.183 -2.095 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.864 -5.083 -2.799 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.532 -1.741 -1.160 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.569 -0.786 -2.661 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.060 -1.540 -2.049 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.828 -5.253 -0.333 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.380 -4.395 -0.914 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.729 -3.481 -0.199 1.00 9.49 H new ATOM 582 N PRO A 37 -10.475 -0.736 -5.520 1.00 8.65 N ATOM 583 CA PRO A 37 -10.006 0.535 -6.077 1.00 9.18 C ATOM 584 C PRO A 37 -8.971 1.291 -5.245 1.00 9.85 C ATOM 585 O PRO A 37 -9.232 1.500 -4.049 1.00 8.51 O ATOM 586 CB PRO A 37 -11.296 1.364 -6.319 1.00 11.42 C ATOM 587 CG PRO A 37 -12.274 0.242 -6.714 1.00 9.27 C ATOM 588 CD PRO A 37 -11.892 -0.930 -5.776 1.00 8.33 C ATOM 0 HA PRO A 37 -9.443 0.344 -6.991 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.618 1.901 -5.427 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.172 2.104 -7.109 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.311 0.547 -6.571 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.164 -0.033 -7.763 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.470 -0.905 -4.852 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.083 -1.895 -6.246 1.00 8.33 H new ATOM 596 N PRO A 38 -7.856 1.806 -5.852 1.00 8.71 N ATOM 597 CA PRO A 38 -6.889 2.677 -5.192 1.00 9.08 C ATOM 598 C PRO A 38 -7.415 3.880 -4.636 1.00 9.28 C ATOM 599 O PRO A 38 -6.772 4.403 -3.680 1.00 6.50 O ATOM 600 CB PRO A 38 -5.969 3.060 -6.321 1.00 10.31 C ATOM 601 CG PRO A 38 -5.906 1.801 -7.141 1.00 10.81 C ATOM 602 CD PRO A 38 -7.367 1.471 -7.207 1.00 12.00 C ATOM 0 HA PRO A 38 -6.449 2.153 -4.343 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.362 3.898 -6.896 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.985 3.356 -5.958 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.469 1.965 -8.126 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.321 1.017 -6.660 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.876 2.055 -7.974 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.531 0.420 -7.445 1.00 12.00 H new ATOM 610 N ASP A 39 -8.552 4.363 -5.159 1.00 11.20 N ATOM 611 CA ASP A 39 -9.275 5.538 -4.638 1.00 14.96 C ATOM 612 C ASP A 39 -9.947 5.284 -3.341 1.00 13.99 C ATOM 613 O ASP A 39 -10.105 6.207 -2.577 1.00 13.75 O ATOM 614 CB ASP A 39 -10.188 6.169 -5.716 1.00 24.16 C ATOM 615 CG ASP A 39 -9.382 6.497 -6.984 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.486 7.396 -6.820 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.518 5.884 -8.067 1.00 35.55 O ATOM 0 H ASP A 39 -9.005 3.942 -5.970 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.528 6.295 -4.401 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.998 5.482 -5.961 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.647 7.077 -5.325 1.00 24.16 H new ATOM 622 N GLN A 40 -10.202 4.043 -3.009 1.00 11.60 N ATOM 623 CA GLN A 40 -10.753 3.553 -1.747 1.00 10.76 C ATOM 624 C GLN A 40 -9.723 2.827 -0.870 1.00 8.01 C ATOM 625 O GLN A 40 -9.958 2.312 0.209 1.00 8.96 O ATOM 626 CB GLN A 40 -11.956 2.618 -1.971 1.00 11.14 C ATOM 627 CG GLN A 40 -13.004 3.150 -3.051 1.00 14.85 C ATOM 628 CD GLN A 40 -14.162 2.141 -3.128 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.619 1.660 -2.076 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.566 1.796 -4.378 1.00 18.16 N ATOM 0 H GLN A 40 -10.019 3.279 -3.660 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.075 4.451 -1.219 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.589 1.641 -2.287 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.471 2.473 -1.022 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.375 4.135 -2.768 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.526 3.257 -4.025 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.140 2.239 -5.192 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.296 1.094 -4.503 1.00 18.16 H new ATOM 639 N GLN A 41 -8.457 2.911 -1.329 1.00 6.52 N ATOM 640 CA GLN A 41 -7.303 2.406 -0.639 1.00 3.87 C ATOM 641 C GLN A 41 -6.466 3.544 0.000 1.00 4.79 C ATOM 642 O GLN A 41 -6.031 4.473 -0.686 1.00 6.34 O ATOM 643 CB GLN A 41 -6.344 1.582 -1.522 1.00 4.20 C ATOM 644 CG GLN A 41 -6.937 0.161 -1.964 1.00 3.20 C ATOM 645 CD GLN A 41 -5.879 -0.544 -2.765 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.740 -0.746 -2.233 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.121 -0.860 -4.054 1.00 7.13 N ATOM 0 H GLN A 41 -8.227 3.350 -2.220 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.728 1.752 0.122 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.101 2.158 -2.415 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.411 1.424 -0.981 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.211 -0.428 -1.089 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.842 0.292 -2.557 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.042 -0.688 -4.457 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.383 -1.271 -4.626 1.00 7.13 H new ATOM 656 N ARG A 42 -6.164 3.346 1.301 1.00 5.73 N ATOM 657 CA ARG A 42 -5.262 4.221 2.077 1.00 6.97 C ATOM 658 C ARG A 42 -4.303 3.215 2.696 1.00 7.15 C ATOM 659 O ARG A 42 -4.665 2.178 3.239 1.00 7.33 O ATOM 660 CB ARG A 42 -5.988 5.010 3.125 1.00 13.23 C ATOM 661 CG ARG A 42 -5.159 5.939 3.977 1.00 21.27 C ATOM 662 CD ARG A 42 -6.002 6.514 5.071 1.00 26.14 C ATOM 663 NE ARG A 42 -6.636 7.695 4.549 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.613 8.343 5.131 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.083 8.036 6.318 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.211 9.233 4.392 1.00 36.39 N ATOM 0 H ARG A 42 -6.542 2.570 1.845 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.775 4.983 1.469 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.759 5.601 2.631 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.498 4.308 3.785 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.314 5.399 4.403 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.748 6.740 3.363 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.748 5.791 5.401 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.390 6.759 5.939 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.298 8.055 3.657 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.684 7.254 6.838 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.847 8.579 6.720 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.908 9.384 3.430 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.983 9.779 4.775 1.00 36.39 H new ATOM 680 N LEU A 43 -3.018 3.571 2.608 1.00 4.65 N ATOM 681 CA LEU A 43 -1.898 2.764 3.067 1.00 3.51 C ATOM 682 C LEU A 43 -1.239 3.525 4.171 1.00 5.56 C ATOM 683 O LEU A 43 -0.804 4.650 3.956 1.00 4.19 O ATOM 684 CB LEU A 43 -0.886 2.359 2.004 1.00 3.74 C ATOM 685 CG LEU A 43 -1.327 1.292 0.980 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.197 1.035 0.033 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.756 0.018 1.721 1.00 6.41 C ATOM 0 H LEU A 43 -2.726 4.459 2.201 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.301 1.806 3.397 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.596 3.255 1.455 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.007 1.993 2.510 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.183 1.641 0.403 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.497 0.282 -0.696 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.061 1.959 -0.485 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.669 0.677 0.589 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.068 -0.736 0.998 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.918 -0.363 2.304 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.588 0.247 2.387 1.00 6.41 H new ATOM 699 N ILE A 44 -1.061 2.885 5.358 1.00 4.58 N ATOM 700 CA ILE A 44 -0.467 3.369 6.572 1.00 5.55 C ATOM 701 C ILE A 44 0.846 2.668 6.809 1.00 5.46 C ATOM 702 O ILE A 44 0.911 1.458 6.642 1.00 6.04 O ATOM 703 CB ILE A 44 -1.341 3.003 7.775 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.776 3.589 7.662 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.626 3.400 9.114 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.879 5.107 7.413 1.00 13.90 C ATOM 0 H ILE A 44 -1.372 1.920 5.468 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.350 4.448 6.471 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.469 1.921 7.781 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.292 3.074 6.852 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.313 3.356 8.581 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.261 3.133 9.959 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.323 2.869 9.191 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.442 4.474 9.124 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.928 5.396 7.353 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.401 5.643 8.233 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.380 5.357 6.477 1.00 13.90 H new ATOM 718 N PHE A 45 1.884 3.393 7.149 1.00 6.75 N ATOM 719 CA PHE A 45 3.167 2.852 7.586 1.00 4.70 C ATOM 720 C PHE A 45 3.757 3.768 8.564 1.00 6.34 C ATOM 721 O PHE A 45 4.137 4.890 8.258 1.00 5.45 O ATOM 722 CB PHE A 45 4.085 2.603 6.351 1.00 5.51 C ATOM 723 CG PHE A 45 5.358 1.845 6.512 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.396 0.446 6.789 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.642 2.456 6.398 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.550 -0.292 6.918 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.811 1.732 6.642 1.00 6.64 C ATOM 728 CZ PHE A 45 7.789 0.370 6.790 1.00 6.84 C ATOM 0 H PHE A 45 1.867 4.413 7.132 1.00 6.75 H new ATOM 0 HA PHE A 45 3.037 1.887 8.075 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.488 2.080 5.603 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.338 3.577 5.933 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.454 -0.069 6.905 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.711 3.497 6.118 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.508 -1.353 7.113 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.752 2.257 6.716 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.711 -0.191 6.808 1.00 6.84 H new ATOM 738 N ALA A 46 3.980 3.376 9.882 1.00 6.53 N ATOM 739 CA ALA A 46 4.566 4.121 11.003 1.00 7.15 C ATOM 740 C ALA A 46 3.860 5.398 11.244 1.00 9.00 C ATOM 741 O ALA A 46 4.395 6.442 11.579 1.00 11.15 O ATOM 742 CB ALA A 46 6.134 4.263 10.932 1.00 8.99 C ATOM 0 H ALA A 46 3.717 2.436 10.179 1.00 6.53 H new ATOM 0 HA ALA A 46 4.403 3.508 11.890 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.488 4.826 11.796 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.589 3.273 10.933 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.411 4.789 10.018 1.00 8.99 H new ATOM 748 N GLY A 47 2.513 5.360 11.161 1.00 9.35 N ATOM 749 CA GLY A 47 1.648 6.419 11.475 1.00 11.68 C ATOM 750 C GLY A 47 1.391 7.406 10.390 1.00 11.14 C ATOM 751 O GLY A 47 0.612 8.393 10.542 1.00 13.93 O ATOM 0 H GLY A 47 2.014 4.526 10.852 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.692 5.999 11.788 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.058 6.953 12.333 1.00 11.68 H new ATOM 755 N LYS A 48 2.070 7.245 9.276 1.00 10.47 N ATOM 756 CA LYS A 48 2.041 8.121 8.110 1.00 8.82 C ATOM 757 C LYS A 48 1.097 7.440 7.148 1.00 7.68 C ATOM 758 O LYS A 48 1.299 6.298 6.908 1.00 6.47 O ATOM 759 CB LYS A 48 3.441 8.346 7.591 1.00 9.74 C ATOM 760 CG LYS A 48 4.338 8.900 8.700 1.00 14.14 C ATOM 761 CD LYS A 48 5.877 8.711 8.419 1.00 16.32 C ATOM 762 CE LYS A 48 6.334 7.238 8.428 1.00 20.04 C ATOM 763 NZ LYS A 48 7.785 7.187 8.263 1.00 23.92 N ATOM 0 H LYS A 48 2.698 6.452 9.145 1.00 10.47 H new ATOM 0 HA LYS A 48 1.681 9.130 8.313 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.852 7.408 7.216 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.417 9.041 6.752 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.128 9.962 8.829 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.086 8.409 9.640 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.117 9.150 7.451 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.444 9.263 9.169 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.045 6.760 9.364 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.845 6.687 7.625 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.100 6.196 8.268 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.047 7.629 7.359 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.241 7.700 9.044 1.00 23.92 H new ATOM 777 N GLN A 49 0.108 8.177 6.526 1.00 8.89 N ATOM 778 CA GLN A 49 -0.618 7.682 5.382 1.00 7.18 C ATOM 779 C GLN A 49 0.006 7.973 4.049 1.00 8.23 C ATOM 780 O GLN A 49 0.410 9.089 3.714 1.00 9.70 O ATOM 781 CB GLN A 49 -2.132 8.137 5.262 1.00 11.67 C ATOM 782 CG GLN A 49 -2.271 9.655 5.137 1.00 15.82 C ATOM 783 CD GLN A 49 -3.740 10.153 5.297 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.248 10.044 6.448 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.397 10.607 4.228 1.00 20.67 N ATOM 0 H GLN A 49 -0.175 9.110 6.827 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.572 6.616 5.603 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.585 7.660 4.393 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.683 7.794 6.138 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.648 10.134 5.892 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.892 9.969 4.165 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.924 10.669 3.327 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.373 10.892 4.312 1.00 20.67 H new ATOM 794 N LEU A 50 0.258 6.967 3.233 1.00 6.51 N ATOM 795 CA LEU A 50 1.273 7.036 2.197 1.00 7.41 C ATOM 796 C LEU A 50 0.835 7.748 0.964 1.00 8.27 C ATOM 797 O LEU A 50 -0.198 7.498 0.386 1.00 8.34 O ATOM 798 CB LEU A 50 1.865 5.656 1.919 1.00 7.13 C ATOM 799 CG LEU A 50 2.353 4.941 3.134 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.982 3.601 2.687 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.198 5.758 4.190 1.00 9.11 C ATOM 0 H LEU A 50 -0.237 6.076 3.270 1.00 6.51 H new ATOM 0 HA LEU A 50 2.074 7.662 2.589 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.110 5.042 1.429 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.693 5.763 1.218 1.00 7.13 H new ATOM 0 HG LEU A 50 1.476 4.756 3.755 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.346 3.061 3.561 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.231 2.999 2.175 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.813 3.797 2.009 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.480 5.104 5.015 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.097 6.148 3.713 1.00 9.11 H new ATOM 0 HD23 LEU A 50 2.601 6.586 4.572 1.00 9.11 H new ATOM 813 N GLU A 51 1.619 8.772 0.525 1.00 9.43 N ATOM 814 CA GLU A 51 1.319 9.589 -0.644 1.00 11.90 C ATOM 815 C GLU A 51 1.439 8.876 -1.939 1.00 11.49 C ATOM 816 O GLU A 51 2.491 8.314 -2.178 1.00 9.88 O ATOM 817 CB GLU A 51 2.222 10.851 -0.680 1.00 16.56 C ATOM 818 CG GLU A 51 2.052 11.927 0.496 1.00 26.06 C ATOM 819 CD GLU A 51 0.743 12.688 0.205 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.343 12.058 0.227 1.00 33.44 O ATOM 821 OE2 GLU A 51 0.807 13.890 0.066 1.00 32.13 O ATOM 0 H GLU A 51 2.485 9.042 0.992 1.00 9.43 H new ATOM 0 HA GLU A 51 0.271 9.865 -0.530 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.260 10.520 -0.683 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.047 11.361 -1.628 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.008 11.436 1.468 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.901 12.610 0.523 1.00 26.06 H new ATOM 828 N ASP A 52 0.419 8.923 -2.834 1.00 12.71 N ATOM 829 CA ASP A 52 0.334 8.106 -4.040 1.00 16.56 C ATOM 830 C ASP A 52 1.496 8.182 -4.990 1.00 15.83 C ATOM 831 O ASP A 52 2.014 7.120 -5.300 1.00 17.21 O ATOM 832 CB ASP A 52 -0.997 8.442 -4.800 1.00 21.05 C ATOM 833 CG ASP A 52 -2.198 7.874 -4.127 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.275 6.666 -3.888 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.246 8.581 -4.060 1.00 28.37 O ATOM 0 H ASP A 52 -0.378 9.549 -2.721 1.00 12.71 H new ATOM 0 HA ASP A 52 0.355 7.078 -3.678 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.105 9.524 -4.876 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.938 8.055 -5.817 1.00 21.05 H new ATOM 840 N GLY A 53 1.923 9.392 -5.312 1.00 15.00 N ATOM 841 CA GLY A 53 3.018 9.661 -6.239 1.00 11.77 C ATOM 842 C GLY A 53 4.354 9.445 -5.749 1.00 11.10 C ATOM 843 O GLY A 53 5.321 9.565 -6.494 1.00 11.25 O ATOM 0 H GLY A 53 1.508 10.240 -4.927 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.876 9.038 -7.122 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.940 10.698 -6.565 1.00 11.77 H new ATOM 847 N ARG A 54 4.496 9.147 -4.477 1.00 8.53 N ATOM 848 CA ARG A 54 5.717 8.819 -3.828 1.00 9.05 C ATOM 849 C ARG A 54 6.015 7.326 -3.922 1.00 8.96 C ATOM 850 O ARG A 54 5.086 6.561 -4.212 1.00 11.60 O ATOM 851 CB ARG A 54 5.784 9.252 -2.280 1.00 7.97 C ATOM 852 CG ARG A 54 5.810 10.787 -2.154 1.00 9.62 C ATOM 853 CD ARG A 54 7.017 11.507 -2.833 1.00 12.20 C ATOM 854 NE ARG A 54 7.100 12.973 -2.603 1.00 18.23 N ATOM 855 CZ ARG A 54 8.262 13.658 -2.472 1.00 22.08 C ATOM 856 NH1 ARG A 54 9.424 13.137 -2.822 1.00 25.50 N ATOM 857 NH2 ARG A 54 8.180 14.862 -1.973 1.00 23.38 N ATOM 0 H ARG A 54 3.701 9.130 -3.838 1.00 8.53 H new ATOM 0 HA ARG A 54 6.469 9.398 -4.364 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.923 8.851 -1.746 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.674 8.827 -1.815 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.889 11.183 -2.581 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.807 11.045 -1.095 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.939 11.048 -2.476 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.967 11.328 -3.907 1.00 12.20 H new ATOM 0 HE ARG A 54 6.227 13.497 -2.540 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.465 12.192 -3.204 1.00 25.50 H new ATOM 0 HH12 ARG A 54 10.280 13.680 -2.710 1.00 25.50 H new ATOM 0 HH21 ARG A 54 7.272 15.242 -1.704 1.00 23.38 H new ATOM 0 HH22 ARG A 54 9.024 15.423 -1.852 1.00 23.38 H new ATOM 871 N THR A 55 7.287 6.943 -3.761 1.00 9.05 N ATOM 872 CA THR A 55 7.798 5.619 -3.971 1.00 9.03 C ATOM 873 C THR A 55 7.872 4.937 -2.599 1.00 8.15 C ATOM 874 O THR A 55 7.857 5.567 -1.554 1.00 5.91 O ATOM 875 CB THR A 55 9.025 5.514 -4.775 1.00 11.15 C ATOM 876 OG1 THR A 55 10.110 6.171 -4.169 1.00 11.95 O ATOM 877 CG2 THR A 55 8.787 6.174 -6.221 1.00 11.71 C ATOM 0 H THR A 55 8.012 7.597 -3.465 1.00 9.05 H new ATOM 0 HA THR A 55 7.106 5.084 -4.621 1.00 9.03 H new ATOM 0 HB THR A 55 9.260 4.453 -4.862 1.00 11.15 H new ATOM 0 HG1 THR A 55 9.973 7.140 -4.215 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.699 6.093 -6.812 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.977 5.652 -6.730 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.523 7.225 -6.102 1.00 11.71 H new ATOM 885 N LEU A 56 8.050 3.551 -2.554 1.00 6.91 N ATOM 886 CA LEU A 56 8.338 2.799 -1.330 1.00 8.29 C ATOM 887 C LEU A 56 9.675 3.260 -0.658 1.00 8.05 C ATOM 888 O LEU A 56 9.738 3.490 0.552 1.00 10.17 O ATOM 889 CB LEU A 56 8.385 1.295 -1.654 1.00 6.60 C ATOM 890 CG LEU A 56 7.068 0.710 -2.058 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.361 -0.753 -2.565 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.072 0.606 -0.870 1.00 8.64 C ATOM 0 H LEU A 56 7.990 2.961 -3.384 1.00 6.91 H new ATOM 0 HA LEU A 56 7.540 2.996 -0.614 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.104 1.131 -2.457 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.755 0.759 -0.780 1.00 6.60 H new ATOM 0 HG LEU A 56 6.617 1.352 -2.815 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.428 -1.225 -2.873 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.045 -0.714 -3.413 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.813 -1.333 -1.761 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.133 0.175 -1.219 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.497 -0.030 -0.094 1.00 8.64 H new ATOM 0 HD23 LEU A 56 5.886 1.600 -0.463 1.00 8.64 H new ATOM 904 N SER A 57 10.796 3.488 -1.406 1.00 8.92 N ATOM 905 CA SER A 57 12.062 3.992 -0.865 1.00 9.00 C ATOM 906 C SER A 57 12.028 5.412 -0.306 1.00 9.44 C ATOM 907 O SER A 57 12.804 5.732 0.659 1.00 10.91 O ATOM 908 CB SER A 57 13.270 3.837 -1.821 1.00 10.32 C ATOM 909 OG SER A 57 13.173 4.669 -3.015 1.00 13.59 O ATOM 0 H SER A 57 10.829 3.320 -2.411 1.00 8.92 H new ATOM 0 HA SER A 57 12.207 3.325 -0.015 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.184 4.090 -1.284 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.355 2.792 -2.121 1.00 10.32 H new ATOM 0 HG SER A 57 13.964 4.529 -3.577 1.00 13.59 H new ATOM 915 N ASP A 58 11.125 6.313 -0.797 1.00 9.11 N ATOM 916 CA ASP A 58 10.828 7.600 -0.150 1.00 7.91 C ATOM 917 C ASP A 58 10.381 7.574 1.306 1.00 9.12 C ATOM 918 O ASP A 58 10.730 8.388 2.184 1.00 8.61 O ATOM 919 CB ASP A 58 9.786 8.357 -1.003 1.00 8.41 C ATOM 920 CG ASP A 58 10.261 8.745 -2.373 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.328 9.347 -2.485 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.482 8.472 -3.357 1.00 11.70 O ATOM 0 H ASP A 58 10.591 6.154 -1.652 1.00 9.11 H new ATOM 0 HA ASP A 58 11.792 8.106 -0.104 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.897 7.734 -1.104 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.484 9.258 -0.469 1.00 8.41 H new ATOM 927 N TYR A 59 9.741 6.461 1.661 1.00 7.97 N ATOM 928 CA TYR A 59 9.270 6.169 3.014 1.00 8.45 C ATOM 929 C TYR A 59 10.084 5.087 3.660 1.00 10.98 C ATOM 930 O TYR A 59 9.729 4.730 4.783 1.00 12.95 O ATOM 931 CB TYR A 59 7.817 5.637 2.929 1.00 7.94 C ATOM 932 CG TYR A 59 6.816 6.764 2.784 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.498 7.625 3.878 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.193 7.071 1.535 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.631 8.712 3.683 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.263 8.084 1.392 1.00 6.52 C ATOM 937 CZ TYR A 59 4.942 8.925 2.496 1.00 6.76 C ATOM 938 OH TYR A 59 4.134 10.087 2.411 1.00 7.63 O ATOM 0 H TYR A 59 9.530 5.716 0.997 1.00 7.97 H new ATOM 0 HA TYR A 59 9.347 7.087 3.597 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.727 4.959 2.081 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.588 5.060 3.825 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.924 7.440 4.853 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.460 6.487 0.666 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.494 9.414 4.492 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.778 8.238 0.439 1.00 6.52 H new ATOM 0 HH TYR A 59 4.038 10.351 1.472 1.00 7.63 H new ATOM 948 N ASN A 60 11.185 4.606 3.028 1.00 12.38 N ATOM 949 CA ASN A 60 12.084 3.650 3.668 1.00 13.94 C ATOM 950 C ASN A 60 11.413 2.272 3.992 1.00 14.16 C ATOM 951 O ASN A 60 11.602 1.643 5.024 1.00 14.26 O ATOM 952 CB ASN A 60 12.988 4.186 4.792 1.00 19.23 C ATOM 953 CG ASN A 60 13.870 5.271 4.321 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.479 6.450 4.546 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.901 4.992 3.520 1.00 24.09 N ATOM 0 H ASN A 60 11.458 4.871 2.082 1.00 12.38 H new ATOM 0 HA ASN A 60 12.808 3.454 2.877 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.369 4.551 5.612 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.595 3.372 5.189 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.409 5.748 3.060 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.181 4.023 3.368 1.00 24.09 H new ATOM 962 N ILE A 61 10.678 1.832 2.975 1.00 11.08 N ATOM 963 CA ILE A 61 10.091 0.472 3.059 1.00 11.78 C ATOM 964 C ILE A 61 11.053 -0.556 2.480 1.00 13.74 C ATOM 965 O ILE A 61 11.698 -0.340 1.430 1.00 14.60 O ATOM 966 CB ILE A 61 8.732 0.434 2.307 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.666 1.200 3.234 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.216 -1.023 2.109 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.453 1.893 2.475 1.00 11.42 C ATOM 0 H ILE A 61 10.474 2.353 2.122 1.00 11.08 H new ATOM 0 HA ILE A 61 9.917 0.225 4.106 1.00 11.78 H new ATOM 0 HB ILE A 61 8.858 0.890 1.325 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.260 0.487 3.952 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.194 1.963 3.806 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.264 -1.003 1.579 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.943 -1.591 1.528 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.080 -1.496 3.081 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.799 2.378 3.200 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.838 2.638 1.778 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.889 1.139 1.926 1.00 11.42 H new ATOM 981 N GLN A 62 11.280 -1.664 3.223 1.00 13.97 N ATOM 982 CA GLN A 62 12.327 -2.610 2.839 1.00 15.52 C ATOM 983 C GLN A 62 11.671 -3.981 2.824 1.00 13.94 C ATOM 984 O GLN A 62 10.548 -4.211 3.252 1.00 12.15 O ATOM 985 CB GLN A 62 13.423 -2.562 3.951 1.00 19.53 C ATOM 986 CG GLN A 62 13.874 -1.126 4.182 1.00 26.38 C ATOM 987 CD GLN A 62 15.142 -0.901 5.035 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.063 -0.203 4.580 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.179 -1.446 6.265 1.00 32.71 N ATOM 0 H GLN A 62 10.763 -1.912 4.067 1.00 13.97 H new ATOM 0 HA GLN A 62 12.775 -2.385 1.871 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.030 -2.981 4.877 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.275 -3.176 3.659 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.039 -0.665 3.208 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.052 -0.588 4.654 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.398 -2.013 6.595 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.988 -1.292 6.867 1.00 32.71 H new ATOM 998 N LYS A 63 12.441 -5.009 2.380 1.00 11.73 N ATOM 999 CA LYS A 63 11.976 -6.364 2.177 1.00 11.97 C ATOM 1000 C LYS A 63 11.252 -7.066 3.266 1.00 10.41 C ATOM 1001 O LYS A 63 11.745 -7.135 4.377 1.00 9.59 O ATOM 1002 CB LYS A 63 13.039 -7.301 1.599 1.00 13.73 C ATOM 1003 CG LYS A 63 14.216 -7.602 2.544 1.00 16.98 C ATOM 1004 CD LYS A 63 15.292 -8.528 2.019 1.00 20.19 C ATOM 1005 CE LYS A 63 16.008 -8.030 0.768 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.726 -6.803 0.922 1.00 25.97 N ATOM 0 H LYS A 63 13.428 -4.891 2.153 1.00 11.73 H new ATOM 0 HA LYS A 63 11.198 -6.145 1.446 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.563 -8.242 1.323 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.431 -6.861 0.682 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.684 -6.656 2.815 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.814 -8.033 3.461 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.031 -8.687 2.805 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.844 -9.498 1.803 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.705 -8.800 0.437 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.272 -7.904 -0.026 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.177 -6.549 0.020 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.068 -6.049 1.205 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.456 -6.918 1.654 1.00 25.97 H new ATOM 1020 N GLU A 64 10.044 -7.552 2.999 1.00 10.04 N ATOM 1021 CA GLU A 64 9.150 -8.290 3.905 1.00 10.94 C ATOM 1022 C GLU A 64 8.586 -7.375 5.029 1.00 9.74 C ATOM 1023 O GLU A 64 8.106 -7.852 6.058 1.00 9.42 O ATOM 1024 CB GLU A 64 9.854 -9.565 4.469 1.00 18.31 C ATOM 1025 CG GLU A 64 10.044 -10.712 3.490 1.00 24.16 C ATOM 1026 CD GLU A 64 10.914 -11.782 4.152 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.391 -12.660 4.909 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.099 -11.876 3.718 1.00 31.72 O ATOM 0 H GLU A 64 9.627 -7.435 2.076 1.00 10.04 H new ATOM 0 HA GLU A 64 8.290 -8.628 3.327 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.832 -9.275 4.852 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.275 -9.930 5.317 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.078 -11.132 3.207 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.516 -10.354 2.575 1.00 24.16 H new ATOM 1035 N SER A 65 8.622 -6.041 4.846 1.00 6.85 N ATOM 1036 CA SER A 65 7.956 -5.107 5.747 1.00 6.90 C ATOM 1037 C SER A 65 6.465 -5.228 5.735 1.00 4.72 C ATOM 1038 O SER A 65 5.876 -5.349 4.650 1.00 3.91 O ATOM 1039 CB SER A 65 8.052 -3.566 5.470 1.00 7.28 C ATOM 1040 OG SER A 65 9.400 -3.109 5.320 1.00 10.56 O ATOM 0 H SER A 65 9.112 -5.592 4.072 1.00 6.85 H new ATOM 0 HA SER A 65 8.494 -5.400 6.648 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.491 -3.329 4.566 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.579 -3.025 6.290 1.00 7.28 H new ATOM 0 HG SER A 65 9.905 -3.752 4.780 1.00 10.56 H new ATOM 1046 N THR A 66 5.753 -5.220 6.888 1.00 4.48 N ATOM 1047 CA THR A 66 4.294 -5.250 6.927 1.00 3.80 C ATOM 1048 C THR A 66 3.708 -3.876 6.665 1.00 4.60 C ATOM 1049 O THR A 66 3.913 -2.905 7.419 1.00 5.33 O ATOM 1050 CB THR A 66 3.743 -5.703 8.291 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.188 -6.986 8.539 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.185 -5.866 8.198 1.00 3.40 C ATOM 0 H THR A 66 6.187 -5.192 7.811 1.00 4.48 H new ATOM 0 HA THR A 66 4.007 -5.962 6.153 1.00 3.80 H new ATOM 0 HB THR A 66 4.050 -4.977 9.044 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.847 -7.289 9.406 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.794 -6.187 9.164 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.735 -4.912 7.923 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.942 -6.613 7.442 1.00 3.40 H new ATOM 1060 N LEU A 67 2.861 -3.721 5.611 1.00 4.17 N ATOM 1061 CA LEU A 67 2.220 -2.488 5.208 1.00 3.85 C ATOM 1062 C LEU A 67 0.710 -2.658 5.477 1.00 3.80 C ATOM 1063 O LEU A 67 -0.004 -3.413 4.837 1.00 5.54 O ATOM 1064 CB LEU A 67 2.461 -2.229 3.716 1.00 7.18 C ATOM 1065 CG LEU A 67 3.679 -1.319 3.336 1.00 9.67 C ATOM 1066 CD1 LEU A 67 5.029 -2.067 3.659 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.608 -0.842 1.894 1.00 11.66 C ATOM 0 H LEU A 67 2.610 -4.503 5.006 1.00 4.17 H new ATOM 0 HA LEU A 67 2.624 -1.641 5.763 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.592 -3.192 3.222 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.560 -1.778 3.301 1.00 7.18 H new ATOM 0 HG LEU A 67 3.640 -0.417 3.946 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.871 -1.429 3.392 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.071 -2.298 4.723 1.00 8.12 H new ATOM 0 HD13 LEU A 67 5.079 -2.992 3.085 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.472 -0.215 1.675 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.606 -1.703 1.226 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.695 -0.266 1.746 1.00 11.66 H new ATOM 1079 N HIS A 68 0.192 -1.895 6.406 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.178 -1.845 6.750 1.00 4.17 C ATOM 1081 C HIS A 68 -1.987 -1.237 5.669 1.00 5.32 C ATOM 1082 O HIS A 68 -1.610 -0.239 5.016 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.398 -0.909 7.983 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.590 -1.306 9.226 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.646 -2.578 9.776 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.302 -0.592 9.987 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.218 -2.609 10.826 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.857 -1.449 10.963 1.00 16.30 N ATOM 0 H HIS A 68 0.762 -1.261 6.966 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.477 -2.875 6.945 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.134 0.111 7.703 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.458 -0.906 8.238 1.00 5.57 H new ATOM 0 HD2 HIS A 68 0.540 0.454 9.860 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.367 -3.465 11.467 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.593 -1.226 11.633 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.174 -1.802 5.404 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.201 -1.364 4.364 1.00 3.97 C ATOM 1098 C LEU A 69 -5.498 -0.972 5.145 1.00 5.07 C ATOM 1099 O LEU A 69 -6.000 -1.828 5.876 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.522 -2.435 3.287 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.652 -2.113 2.249 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.311 -0.806 1.433 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.687 -3.285 1.281 1.00 9.96 C ATOM 0 H LEU A 69 -3.490 -2.623 5.920 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.783 -0.528 3.803 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.606 -2.637 2.732 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.793 -3.357 3.802 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.602 -1.959 2.760 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.110 -0.604 0.720 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.215 0.036 2.118 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.373 -0.946 0.897 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.460 -3.115 0.531 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.719 -3.380 0.789 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.907 -4.202 1.828 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.942 0.277 4.909 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.119 0.889 5.499 1.00 6.26 C ATOM 1117 C VAL A 70 -8.062 1.465 4.426 1.00 9.22 C ATOM 1118 O VAL A 70 -7.582 1.812 3.341 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.797 1.817 6.701 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -5.633 1.274 7.537 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.523 3.237 6.244 1.00 8.54 C ATOM 0 H VAL A 70 -5.457 0.906 4.269 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.702 0.098 5.971 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.680 1.836 7.340 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -5.436 1.950 8.369 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -5.891 0.288 7.923 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -4.742 1.197 6.914 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.301 3.861 7.109 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.671 3.242 5.564 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.400 3.629 5.729 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.312 1.699 4.722 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.279 2.315 3.823 1.00 16.06 C ATOM 1133 C LEU A 71 -9.923 3.807 3.616 1.00 18.09 C ATOM 1134 O LEU A 71 -9.534 4.504 4.592 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.652 2.067 4.463 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.829 2.450 3.532 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.049 1.636 2.262 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -14.088 2.315 4.363 1.00 19.57 C ATOM 0 H LEU A 71 -9.711 1.460 5.630 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.278 1.891 2.819 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.737 1.014 4.733 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.725 2.640 5.387 1.00 17.10 H new ATOM 0 HG LEU A 71 -12.582 3.448 3.169 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.910 2.030 1.722 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.163 1.701 1.630 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.231 0.594 2.525 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -14.955 2.574 3.755 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -14.184 1.287 4.713 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -14.032 2.987 5.220 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.108 4.250 2.408 1.00 21.47 N ATOM 1151 CA ARG A 72 -10.116 5.697 2.138 1.00 25.83 C ATOM 1152 C ARG A 72 -11.600 6.022 1.786 1.00 27.74 C ATOM 1153 O ARG A 72 -12.156 5.520 0.793 1.00 30.65 O ATOM 1154 CB ARG A 72 -9.179 6.087 0.970 1.00 28.49 C ATOM 1155 CG ARG A 72 -8.852 7.554 0.725 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.017 8.388 0.191 1.00 34.05 C ATOM 1157 NE ARG A 72 -9.449 9.720 -0.165 1.00 35.08 N ATOM 1158 CZ ARG A 72 -8.971 9.972 -1.423 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -8.961 9.009 -2.316 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -8.401 11.109 -1.630 1.00 35.02 N ATOM 0 H ARG A 72 -10.255 3.658 1.590 1.00 21.47 H new ATOM 0 HA ARG A 72 -9.749 6.260 2.996 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -8.235 5.563 1.121 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -9.619 5.694 0.054 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -8.505 7.996 1.659 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -8.025 7.615 0.017 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -10.469 7.913 -0.680 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.801 8.488 0.942 1.00 34.05 H new ATOM 0 HE ARG A 72 -9.416 10.456 0.541 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.308 8.082 -2.070 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -8.607 9.188 -3.255 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -8.319 11.784 -0.870 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -8.032 11.334 -2.554 1.00 35.02 H new ATOM 1174 N LEU A 73 -12.207 6.891 2.607 1.00 28.93 N ATOM 1175 CA LEU A 73 -13.519 7.613 2.393 1.00 30.76 C ATOM 1176 C LEU A 73 -13.127 9.026 1.968 1.00 32.18 C ATOM 1177 O LEU A 73 -12.265 9.659 2.585 1.00 32.31 O ATOM 1178 CB LEU A 73 -14.301 7.758 3.688 1.00 30.53 C ATOM 1179 CG LEU A 73 -14.691 6.460 4.401 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -15.433 6.811 5.653 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.591 5.513 3.606 1.00 29.11 C ATOM 0 H LEU A 73 -11.787 7.141 3.502 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.131 7.067 1.675 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -13.710 8.361 4.377 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -15.212 8.317 3.475 1.00 30.53 H new ATOM 0 HG LEU A 73 -13.751 5.935 4.570 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -15.719 5.898 6.175 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -14.793 7.412 6.299 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.328 7.379 5.399 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.805 4.627 4.204 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.525 6.019 3.360 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.086 5.217 2.687 1.00 29.11 H new ATOM 1193 N ARG A 74 -13.820 9.594 0.995 1.00 33.82 N ATOM 1194 CA ARG A 74 -13.484 10.942 0.533 1.00 35.33 C ATOM 1195 C ARG A 74 -13.830 12.044 1.471 1.00 36.22 C ATOM 1196 O ARG A 74 -13.287 13.164 1.421 1.00 36.70 O ATOM 1197 CB ARG A 74 -14.212 11.300 -0.823 1.00 36.91 C ATOM 1198 CG ARG A 74 -13.599 10.599 -2.060 1.00 38.62 C ATOM 1199 CD ARG A 74 -12.312 11.164 -2.689 1.00 39.75 C ATOM 1200 NE ARG A 74 -11.874 10.255 -3.741 1.00 41.13 N ATOM 1201 CZ ARG A 74 -11.019 10.630 -4.673 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -10.286 11.739 -4.524 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -10.736 9.782 -5.639 1.00 41.93 N ATOM 0 H ARG A 74 -14.606 9.157 0.513 1.00 33.82 H new ATOM 0 HA ARG A 74 -12.400 10.887 0.430 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -15.264 11.025 -0.744 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -14.175 12.379 -0.972 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -13.401 9.563 -1.784 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -14.363 10.581 -2.838 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -12.495 12.157 -3.099 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -11.535 11.270 -1.932 1.00 39.75 H new ATOM 0 HE ARG A 74 -12.239 9.303 -3.757 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -10.384 12.306 -3.682 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -9.629 12.017 -5.252 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -11.174 8.861 -5.654 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -10.078 10.046 -6.373 1.00 41.93 H new ATOM 1217 N GLY A 75 -14.723 11.739 2.427 1.00 36.31 N ATOM 1218 CA GLY A 75 -15.063 12.610 3.549 1.00 36.07 C ATOM 1219 C GLY A 75 -14.171 12.537 4.774 1.00 36.16 C ATOM 1220 O GLY A 75 -14.361 13.311 5.730 1.00 36.26 O ATOM 0 H GLY A 75 -15.237 10.858 2.435 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -15.062 13.639 3.191 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -16.083 12.381 3.859 1.00 36.07 H new ATOM 1224 N GLY A 76 -13.091 11.709 4.795 1.00 36.05 N ATOM 1225 CA GLY A 76 -12.251 11.451 5.944 1.00 36.19 C ATOM 1226 C GLY A 76 -10.852 10.934 5.580 1.00 36.20 C ATOM 1227 O GLY A 76 -10.506 9.760 5.929 1.00 0.00 O ATOM 1228 OXT GLY A 76 -10.079 11.595 4.871 1.00 0.00 O ATOM 0 H GLY A 76 -12.790 11.194 3.967 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -12.150 12.369 6.523 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -12.743 10.721 6.587 1.00 36.19 H new TER 1232 GLY A 76