USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 753 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 Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -1.87! C(o=-1.9!,f=-5.5!) USER MOD Single : A 16 GLN : amide:sc= -0.582 X(o=-0.58,f=-0.092) USER MOD Single : A 19 ASN : amide:sc= -3.6! C(o=-3.6!,f=-11!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot -65:sc= -2.26! USER MOD Single : A 37 GLN : amide:sc= -1.91 K(o=-1.9,f=-2.7) USER MOD Single : A 45 THR OG1 : rot -170:sc= -0.613 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -1.31 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.0355 K(o=-0.036,f=-1.9!) USER MOD Single : A 63 GLN : amide:sc= -0.559 K(o=-0.56,f=-4.7!) USER MOD Single : A 66 SER OG : rot -139:sc= -0.433 USER MOD Single : A 67 TYR OH : rot 80:sc= 0.794 USER MOD Single : A 71 SER OG : rot -63:sc= 0.909 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -8.88! C(o=-8.9!,f=-8.5!) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 89 SER OG : rot -32:sc= 1.32 USER MOD Single : A 90 SER OG : rot 180:sc= -0.583 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot -23:sc= 0.209 USER MOD ----------------------------------------------------------------- ATOM 35 N PRO A 3 -7.467 11.398 -12.633 1.00 0.00 N ATOM 36 CA PRO A 3 -7.310 10.534 -11.429 1.00 0.00 C ATOM 37 C PRO A 3 -7.551 11.309 -10.132 1.00 0.00 C ATOM 38 O PRO A 3 -7.165 12.455 -9.996 1.00 0.00 O ATOM 39 CB PRO A 3 -5.850 10.047 -11.513 1.00 0.00 C ATOM 40 CG PRO A 3 -5.470 10.181 -12.952 1.00 0.00 C ATOM 41 CD PRO A 3 -6.265 11.360 -13.490 1.00 0.00 C ATOM 0 HA PRO A 3 -8.034 9.719 -11.413 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -5.199 10.646 -10.877 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -5.760 9.014 -11.177 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -4.399 10.352 -13.058 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -5.703 9.270 -13.503 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -5.697 12.288 -13.424 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -6.526 11.220 -14.539 1.00 0.00 H new ATOM 49 N GLN A 4 -8.192 10.687 -9.184 1.00 0.00 N ATOM 50 CA GLN A 4 -8.477 11.373 -7.893 1.00 0.00 C ATOM 51 C GLN A 4 -7.230 11.350 -7.012 1.00 0.00 C ATOM 52 O GLN A 4 -6.730 10.302 -6.640 1.00 0.00 O ATOM 53 CB GLN A 4 -9.628 10.654 -7.188 1.00 0.00 C ATOM 54 CG GLN A 4 -10.918 10.863 -7.986 1.00 0.00 C ATOM 55 CD GLN A 4 -12.067 10.109 -7.311 1.00 0.00 C ATOM 56 OE1 GLN A 4 -11.914 8.969 -6.921 1.00 0.00 O ATOM 57 NE2 GLN A 4 -13.221 10.700 -7.161 1.00 0.00 N ATOM 0 H GLN A 4 -8.533 9.728 -9.248 1.00 0.00 H new ATOM 0 HA GLN A 4 -8.757 12.410 -8.081 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.409 9.590 -7.101 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.747 11.039 -6.175 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -11.152 11.926 -8.046 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -10.787 10.508 -9.008 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -13.350 11.657 -7.488 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -13.994 10.204 -6.716 1.00 0.00 H new ATOM 66 N LEU A 5 -6.717 12.505 -6.675 1.00 0.00 N ATOM 67 CA LEU A 5 -5.493 12.570 -5.826 1.00 0.00 C ATOM 68 C LEU A 5 -5.883 12.705 -4.362 1.00 0.00 C ATOM 69 O LEU A 5 -6.656 13.567 -3.989 1.00 0.00 O ATOM 70 CB LEU A 5 -4.657 13.785 -6.241 1.00 0.00 C ATOM 71 CG LEU A 5 -4.342 13.709 -7.738 1.00 0.00 C ATOM 72 CD1 LEU A 5 -3.520 14.934 -8.149 1.00 0.00 C ATOM 73 CD2 LEU A 5 -3.540 12.433 -8.034 1.00 0.00 C ATOM 0 H LEU A 5 -7.096 13.410 -6.954 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.914 11.656 -5.959 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.200 14.704 -6.020 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.731 13.815 -5.666 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.274 13.689 -8.302 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.295 14.881 -9.214 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.090 15.840 -7.943 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.589 14.954 -7.582 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.318 12.382 -9.100 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -2.608 12.450 -7.469 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.125 11.560 -7.743 1.00 0.00 H new ATOM 85 N THR A 6 -5.348 11.853 -3.526 1.00 0.00 N ATOM 86 CA THR A 6 -5.674 11.914 -2.068 1.00 0.00 C ATOM 87 C THR A 6 -4.385 11.912 -1.254 1.00 0.00 C ATOM 88 O THR A 6 -3.363 11.405 -1.680 1.00 0.00 O ATOM 89 CB THR A 6 -6.532 10.706 -1.693 1.00 0.00 C ATOM 90 OG1 THR A 6 -7.011 10.870 -0.366 1.00 0.00 O ATOM 91 CG2 THR A 6 -5.696 9.432 -1.787 1.00 0.00 C ATOM 0 H THR A 6 -4.696 11.114 -3.791 1.00 0.00 H new ATOM 0 HA THR A 6 -6.226 12.829 -1.853 1.00 0.00 H new ATOM 0 HB THR A 6 -7.376 10.628 -2.379 1.00 0.00 H new ATOM 0 HG1 THR A 6 -7.564 10.099 -0.120 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.311 8.573 -1.519 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.329 9.312 -2.806 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.850 9.500 -1.103 1.00 0.00 H new ATOM 99 N LYS A 7 -4.420 12.490 -0.082 1.00 0.00 N ATOM 100 CA LYS A 7 -3.199 12.548 0.768 1.00 0.00 C ATOM 101 C LYS A 7 -3.140 11.335 1.697 1.00 0.00 C ATOM 102 O LYS A 7 -4.116 10.950 2.306 1.00 0.00 O ATOM 103 CB LYS A 7 -3.251 13.821 1.618 1.00 0.00 C ATOM 104 CG LYS A 7 -3.302 15.045 0.699 1.00 0.00 C ATOM 105 CD LYS A 7 -3.246 16.329 1.537 1.00 0.00 C ATOM 106 CE LYS A 7 -4.540 16.482 2.343 1.00 0.00 C ATOM 107 NZ LYS A 7 -4.686 17.894 2.787 1.00 0.00 N ATOM 0 H LYS A 7 -5.248 12.926 0.323 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.317 12.549 0.128 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.127 13.803 2.267 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.376 13.875 2.266 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.467 15.020 -0.001 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.216 15.027 0.105 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.389 16.297 2.210 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.108 17.193 0.886 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.396 16.191 1.734 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.523 15.818 3.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.565 17.997 3.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.875 18.156 3.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.721 18.518 1.955 1.00 0.00 H new ATOM 121 N ILE A 8 -1.991 10.727 1.800 1.00 0.00 N ATOM 122 CA ILE A 8 -1.838 9.538 2.683 1.00 0.00 C ATOM 123 C ILE A 8 -2.382 9.857 4.081 1.00 0.00 C ATOM 124 O ILE A 8 -2.916 9.006 4.762 1.00 0.00 O ATOM 125 CB ILE A 8 -0.350 9.174 2.778 1.00 0.00 C ATOM 126 CG1 ILE A 8 0.470 10.450 2.967 1.00 0.00 C ATOM 127 CG2 ILE A 8 0.093 8.469 1.493 1.00 0.00 C ATOM 128 CD1 ILE A 8 1.900 10.093 3.376 1.00 0.00 C ATOM 0 H ILE A 8 -1.144 11.006 1.305 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.396 8.699 2.268 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.193 8.507 3.626 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.480 11.027 2.042 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.010 11.079 3.730 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.150 8.212 1.565 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -0.493 7.560 1.356 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -0.062 9.132 0.642 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.479 11.007 3.509 1.00 0.00 H new ATOM 0 HD12 ILE A 8 1.882 9.535 4.312 1.00 0.00 H new ATOM 0 HD13 ILE A 8 2.359 9.482 2.599 1.00 0.00 H new ATOM 140 N VAL A 9 -2.224 11.074 4.507 1.00 0.00 N ATOM 141 CA VAL A 9 -2.700 11.472 5.862 1.00 0.00 C ATOM 142 C VAL A 9 -4.228 11.535 5.878 1.00 0.00 C ATOM 143 O VAL A 9 -4.832 11.900 6.865 1.00 0.00 O ATOM 144 CB VAL A 9 -2.109 12.846 6.213 1.00 0.00 C ATOM 145 CG1 VAL A 9 -2.867 13.948 5.461 1.00 0.00 C ATOM 146 CG2 VAL A 9 -2.224 13.086 7.722 1.00 0.00 C ATOM 0 H VAL A 9 -1.781 11.820 3.971 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.376 10.737 6.599 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.059 12.867 5.920 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.443 14.919 5.715 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.779 13.783 4.387 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.919 13.926 5.746 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.804 14.061 7.968 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.273 13.058 8.016 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.677 12.310 8.257 1.00 0.00 H new ATOM 156 N ASP A 10 -4.851 11.219 4.775 1.00 0.00 N ATOM 157 CA ASP A 10 -6.341 11.279 4.692 1.00 0.00 C ATOM 158 C ASP A 10 -6.878 9.905 4.297 1.00 0.00 C ATOM 159 O ASP A 10 -8.055 9.737 4.044 1.00 0.00 O ATOM 160 CB ASP A 10 -6.737 12.313 3.635 1.00 0.00 C ATOM 161 CG ASP A 10 -6.461 13.725 4.161 1.00 0.00 C ATOM 162 OD1 ASP A 10 -6.161 13.853 5.336 1.00 0.00 O ATOM 163 OD2 ASP A 10 -6.557 14.657 3.376 1.00 0.00 O ATOM 0 H ASP A 10 -4.387 10.918 3.918 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.759 11.565 5.657 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.176 12.141 2.717 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.793 12.207 3.387 1.00 0.00 H new ATOM 168 N ILE A 11 -6.021 8.922 4.234 1.00 0.00 N ATOM 169 CA ILE A 11 -6.473 7.559 3.850 1.00 0.00 C ATOM 170 C ILE A 11 -7.432 7.016 4.884 1.00 0.00 C ATOM 171 O ILE A 11 -8.502 6.573 4.534 1.00 0.00 O ATOM 172 CB ILE A 11 -5.254 6.625 3.763 1.00 0.00 C ATOM 173 CG1 ILE A 11 -4.529 6.852 2.435 1.00 0.00 C ATOM 174 CG2 ILE A 11 -5.695 5.157 3.857 1.00 0.00 C ATOM 175 CD1 ILE A 11 -3.126 6.238 2.502 1.00 0.00 C ATOM 0 H ILE A 11 -5.024 9.007 4.433 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.976 7.613 2.885 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.584 6.847 4.593 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.095 6.402 1.619 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.460 7.919 2.225 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.820 4.510 3.794 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.202 4.990 4.807 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.376 4.928 3.037 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.612 6.401 1.555 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.561 6.708 3.307 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.206 5.168 2.692 1.00 0.00 H new ATOM 187 N VAL A 12 -7.045 7.031 6.147 1.00 0.00 N ATOM 188 CA VAL A 12 -7.901 6.477 7.254 1.00 0.00 C ATOM 189 C VAL A 12 -9.171 5.829 6.705 1.00 0.00 C ATOM 190 O VAL A 12 -10.268 6.296 6.932 1.00 0.00 O ATOM 191 CB VAL A 12 -8.252 7.590 8.245 1.00 0.00 C ATOM 192 CG1 VAL A 12 -7.004 7.963 9.050 1.00 0.00 C ATOM 193 CG2 VAL A 12 -8.760 8.828 7.499 1.00 0.00 C ATOM 0 H VAL A 12 -6.153 7.413 6.461 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.334 5.703 7.770 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.035 7.233 8.914 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.250 8.755 9.757 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.648 7.089 9.595 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.224 8.311 8.372 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.005 9.610 8.217 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.986 9.188 6.821 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.651 8.568 6.927 1.00 0.00 H new ATOM 203 N GLU A 13 -9.010 4.771 5.943 1.00 0.00 N ATOM 204 CA GLU A 13 -10.185 4.092 5.346 1.00 0.00 C ATOM 205 C GLU A 13 -9.726 2.814 4.633 1.00 0.00 C ATOM 206 O GLU A 13 -9.068 2.853 3.607 1.00 0.00 O ATOM 207 CB GLU A 13 -10.874 5.019 4.335 1.00 0.00 C ATOM 208 CG GLU A 13 -12.230 4.422 3.950 1.00 0.00 C ATOM 209 CD GLU A 13 -13.197 4.559 5.127 1.00 0.00 C ATOM 210 OE1 GLU A 13 -12.832 5.200 6.098 1.00 0.00 O ATOM 211 OE2 GLU A 13 -14.289 4.021 5.038 1.00 0.00 O ATOM 0 H GLU A 13 -8.108 4.354 5.713 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.891 3.841 6.138 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.009 6.011 4.766 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -10.251 5.138 3.449 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.630 4.934 3.075 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.114 3.372 3.680 1.00 0.00 H new ATOM 218 N ASN A 14 -10.061 1.674 5.181 1.00 0.00 N ATOM 219 CA ASN A 14 -9.645 0.381 4.562 1.00 0.00 C ATOM 220 C ASN A 14 -10.607 -0.005 3.438 1.00 0.00 C ATOM 221 O ASN A 14 -11.806 0.166 3.540 1.00 0.00 O ATOM 222 CB ASN A 14 -9.638 -0.722 5.629 1.00 0.00 C ATOM 223 CG ASN A 14 -11.052 -0.930 6.181 1.00 0.00 C ATOM 224 OD1 ASN A 14 -11.950 -0.166 5.890 1.00 0.00 O ATOM 225 ND2 ASN A 14 -11.287 -1.943 6.974 1.00 0.00 N ATOM 0 H ASN A 14 -10.609 1.584 6.037 1.00 0.00 H new ATOM 0 HA ASN A 14 -8.644 0.497 4.147 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -9.267 -1.652 5.199 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.960 -0.452 6.438 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -12.224 -2.091 7.348 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -10.533 -2.585 7.219 1.00 0.00 H new ATOM 232 N GLY A 15 -10.078 -0.533 2.365 1.00 0.00 N ATOM 233 CA GLY A 15 -10.937 -0.944 1.219 1.00 0.00 C ATOM 234 C GLY A 15 -11.323 0.293 0.413 1.00 0.00 C ATOM 235 O GLY A 15 -12.262 0.278 -0.360 1.00 0.00 O ATOM 0 H GLY A 15 -9.080 -0.698 2.234 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.404 -1.654 0.586 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.832 -1.450 1.582 1.00 0.00 H new ATOM 239 N GLN A 16 -10.613 1.374 0.595 1.00 0.00 N ATOM 240 CA GLN A 16 -10.942 2.623 -0.150 1.00 0.00 C ATOM 241 C GLN A 16 -10.156 2.674 -1.461 1.00 0.00 C ATOM 242 O GLN A 16 -8.981 2.360 -1.512 1.00 0.00 O ATOM 243 CB GLN A 16 -10.591 3.838 0.710 1.00 0.00 C ATOM 244 CG GLN A 16 -10.976 5.115 -0.038 1.00 0.00 C ATOM 245 CD GLN A 16 -10.861 6.321 0.899 1.00 0.00 C ATOM 246 OE1 GLN A 16 -11.815 7.050 1.085 1.00 0.00 O ATOM 247 NE2 GLN A 16 -9.728 6.565 1.501 1.00 0.00 N ATOM 0 H GLN A 16 -9.817 1.446 1.229 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.008 2.634 -0.376 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.118 3.788 1.663 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -9.525 3.842 0.936 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.326 5.251 -0.902 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -11.995 5.033 -0.416 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.926 5.954 1.346 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.645 7.367 2.126 1.00 0.00 H new ATOM 256 N TRP A 17 -10.805 3.072 -2.526 1.00 0.00 N ATOM 257 CA TRP A 17 -10.120 3.157 -3.853 1.00 0.00 C ATOM 258 C TRP A 17 -9.729 4.611 -4.135 1.00 0.00 C ATOM 259 O TRP A 17 -10.536 5.514 -4.040 1.00 0.00 O ATOM 260 CB TRP A 17 -11.074 2.661 -4.939 1.00 0.00 C ATOM 261 CG TRP A 17 -11.297 1.193 -4.772 1.00 0.00 C ATOM 262 CD1 TRP A 17 -12.297 0.635 -4.050 1.00 0.00 C ATOM 263 CD2 TRP A 17 -10.526 0.089 -5.324 1.00 0.00 C ATOM 264 NE1 TRP A 17 -12.187 -0.742 -4.124 1.00 0.00 N ATOM 265 CE2 TRP A 17 -11.110 -1.127 -4.899 1.00 0.00 C ATOM 266 CE3 TRP A 17 -9.387 0.027 -6.145 1.00 0.00 C ATOM 267 CZ2 TRP A 17 -10.582 -2.363 -5.277 1.00 0.00 C ATOM 268 CZ3 TRP A 17 -8.852 -1.214 -6.528 1.00 0.00 C ATOM 269 CH2 TRP A 17 -9.450 -2.406 -6.094 1.00 0.00 C ATOM 0 H TRP A 17 -11.788 3.344 -2.533 1.00 0.00 H new ATOM 0 HA TRP A 17 -9.221 2.540 -3.845 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -12.023 3.194 -4.876 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -10.658 2.867 -5.925 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -13.056 1.176 -3.505 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -12.823 -1.393 -3.663 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -8.920 0.940 -6.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -11.045 -3.279 -4.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -7.976 -1.250 -7.159 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -9.035 -3.358 -6.392 1.00 0.00 H new ATOM 280 N ALA A 18 -8.494 4.837 -4.497 1.00 0.00 N ATOM 281 CA ALA A 18 -8.046 6.227 -4.803 1.00 0.00 C ATOM 282 C ALA A 18 -6.777 6.190 -5.652 1.00 0.00 C ATOM 283 O ALA A 18 -6.310 5.134 -6.049 1.00 0.00 O ATOM 284 CB ALA A 18 -7.765 6.972 -3.498 1.00 0.00 C ATOM 0 H ALA A 18 -7.776 4.119 -4.594 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.832 6.742 -5.356 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.438 7.987 -3.722 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.673 7.008 -2.897 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.983 6.453 -2.944 1.00 0.00 H new ATOM 290 N ASN A 19 -6.209 7.341 -5.916 1.00 0.00 N ATOM 291 CA ASN A 19 -4.955 7.399 -6.726 1.00 0.00 C ATOM 292 C ASN A 19 -3.993 8.419 -6.112 1.00 0.00 C ATOM 293 O ASN A 19 -4.399 9.447 -5.600 1.00 0.00 O ATOM 294 CB ASN A 19 -5.297 7.815 -8.153 1.00 0.00 C ATOM 295 CG ASN A 19 -6.170 6.739 -8.804 1.00 0.00 C ATOM 296 OD1 ASN A 19 -6.156 5.596 -8.390 1.00 0.00 O ATOM 297 ND2 ASN A 19 -6.932 7.059 -9.812 1.00 0.00 N ATOM 0 H ASN A 19 -6.562 8.246 -5.604 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.481 6.418 -6.734 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.822 8.770 -8.149 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.384 7.956 -8.731 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -7.517 6.350 -10.254 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.943 8.018 -10.159 1.00 0.00 H new ATOM 304 N LEU A 20 -2.716 8.138 -6.148 1.00 0.00 N ATOM 305 CA LEU A 20 -1.736 9.093 -5.568 1.00 0.00 C ATOM 306 C LEU A 20 -0.342 8.852 -6.152 1.00 0.00 C ATOM 307 O LEU A 20 0.053 7.733 -6.411 1.00 0.00 O ATOM 308 CB LEU A 20 -1.687 8.912 -4.046 1.00 0.00 C ATOM 309 CG LEU A 20 -0.679 9.899 -3.438 1.00 0.00 C ATOM 310 CD1 LEU A 20 -1.125 11.340 -3.731 1.00 0.00 C ATOM 311 CD2 LEU A 20 -0.600 9.684 -1.926 1.00 0.00 C ATOM 0 H LEU A 20 -2.315 7.292 -6.553 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.049 10.108 -5.812 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.676 9.078 -3.619 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.402 7.889 -3.801 1.00 0.00 H new ATOM 0 HG LEU A 20 0.303 9.729 -3.879 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.408 12.038 -3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.175 11.493 -4.809 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.108 11.513 -3.294 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.115 10.385 -1.496 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.582 9.850 -1.483 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.277 8.664 -1.720 1.00 0.00 H new ATOM 323 N LYS A 21 0.419 9.904 -6.320 1.00 0.00 N ATOM 324 CA LYS A 21 1.810 9.768 -6.849 1.00 0.00 C ATOM 325 C LYS A 21 2.801 9.828 -5.680 1.00 0.00 C ATOM 326 O LYS A 21 2.618 10.568 -4.733 1.00 0.00 O ATOM 327 CB LYS A 21 2.096 10.916 -7.819 1.00 0.00 C ATOM 328 CG LYS A 21 1.710 12.245 -7.165 1.00 0.00 C ATOM 329 CD LYS A 21 2.138 13.411 -8.063 1.00 0.00 C ATOM 330 CE LYS A 21 1.350 13.375 -9.377 1.00 0.00 C ATOM 331 NZ LYS A 21 1.375 14.725 -10.008 1.00 0.00 N ATOM 0 H LYS A 21 0.133 10.860 -6.111 1.00 0.00 H new ATOM 0 HA LYS A 21 1.916 8.816 -7.370 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.152 10.924 -8.088 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.533 10.775 -8.742 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.633 12.279 -6.998 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.187 12.332 -6.189 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.965 14.358 -7.551 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.207 13.350 -8.268 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.783 12.638 -10.053 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.321 13.069 -9.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.840 14.701 -10.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.943 15.417 -9.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.359 15.000 -10.202 1.00 0.00 H new ATOM 345 N ALA A 22 3.842 9.040 -5.730 1.00 0.00 N ATOM 346 CA ALA A 22 4.834 9.042 -4.611 1.00 0.00 C ATOM 347 C ALA A 22 6.207 8.580 -5.100 1.00 0.00 C ATOM 348 O ALA A 22 6.333 7.917 -6.111 1.00 0.00 O ATOM 349 CB ALA A 22 4.351 8.099 -3.505 1.00 0.00 C ATOM 0 H ALA A 22 4.049 8.397 -6.494 1.00 0.00 H new ATOM 0 HA ALA A 22 4.923 10.059 -4.228 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.072 8.098 -2.687 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.383 8.438 -3.135 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.254 7.089 -3.904 1.00 0.00 H new ATOM 355 N LYS A 23 7.229 8.928 -4.367 1.00 0.00 N ATOM 356 CA LYS A 23 8.613 8.522 -4.749 1.00 0.00 C ATOM 357 C LYS A 23 9.015 7.275 -3.955 1.00 0.00 C ATOM 358 O LYS A 23 8.568 7.064 -2.845 1.00 0.00 O ATOM 359 CB LYS A 23 9.572 9.679 -4.457 1.00 0.00 C ATOM 360 CG LYS A 23 9.890 9.732 -2.962 1.00 0.00 C ATOM 361 CD LYS A 23 10.519 11.081 -2.618 1.00 0.00 C ATOM 362 CE LYS A 23 11.885 11.196 -3.299 1.00 0.00 C ATOM 363 NZ LYS A 23 12.644 12.329 -2.701 1.00 0.00 N ATOM 0 H LYS A 23 7.165 9.481 -3.512 1.00 0.00 H new ATOM 0 HA LYS A 23 8.656 8.286 -5.812 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.492 9.553 -5.028 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.126 10.621 -4.776 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.979 9.586 -2.381 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.571 8.924 -2.696 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.868 11.892 -2.945 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.630 11.178 -1.538 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.443 10.267 -3.179 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.757 11.355 -4.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.572 12.408 -3.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.113 13.213 -2.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.777 12.159 -1.684 1.00 0.00 H new ATOM 377 N VAL A 24 9.859 6.454 -4.519 1.00 0.00 N ATOM 378 CA VAL A 24 10.298 5.213 -3.809 1.00 0.00 C ATOM 379 C VAL A 24 11.538 5.487 -2.954 1.00 0.00 C ATOM 380 O VAL A 24 12.646 5.566 -3.447 1.00 0.00 O ATOM 381 CB VAL A 24 10.617 4.146 -4.853 1.00 0.00 C ATOM 382 CG1 VAL A 24 11.136 2.888 -4.161 1.00 0.00 C ATOM 383 CG2 VAL A 24 9.340 3.809 -5.637 1.00 0.00 C ATOM 0 H VAL A 24 10.266 6.588 -5.445 1.00 0.00 H new ATOM 0 HA VAL A 24 9.500 4.872 -3.149 1.00 0.00 H new ATOM 0 HB VAL A 24 11.380 4.521 -5.535 1.00 0.00 H new ATOM 0 HG11 VAL A 24 11.363 2.128 -4.909 1.00 0.00 H new ATOM 0 HG12 VAL A 24 12.040 3.127 -3.601 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.376 2.509 -3.478 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.562 3.047 -6.384 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.580 3.434 -4.951 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.970 4.706 -6.133 1.00 0.00 H new ATOM 393 N ILE A 25 11.349 5.632 -1.671 1.00 0.00 N ATOM 394 CA ILE A 25 12.499 5.895 -0.767 1.00 0.00 C ATOM 395 C ILE A 25 13.322 4.614 -0.598 1.00 0.00 C ATOM 396 O ILE A 25 14.503 4.656 -0.316 1.00 0.00 O ATOM 397 CB ILE A 25 11.976 6.341 0.602 1.00 0.00 C ATOM 398 CG1 ILE A 25 11.263 7.696 0.480 1.00 0.00 C ATOM 399 CG2 ILE A 25 13.148 6.476 1.574 1.00 0.00 C ATOM 400 CD1 ILE A 25 10.506 7.997 1.780 1.00 0.00 C ATOM 0 H ILE A 25 10.441 5.579 -1.210 1.00 0.00 H new ATOM 0 HA ILE A 25 13.125 6.677 -1.196 1.00 0.00 H new ATOM 0 HB ILE A 25 11.271 5.597 0.971 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.989 8.484 0.279 1.00 0.00 H new ATOM 0 HG13 ILE A 25 10.570 7.679 -0.361 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.778 6.793 2.549 1.00 0.00 H new ATOM 0 HG22 ILE A 25 13.651 5.514 1.673 1.00 0.00 H new ATOM 0 HG23 ILE A 25 13.852 7.217 1.195 1.00 0.00 H new ATOM 0 HD11 ILE A 25 10.000 8.959 1.692 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.769 7.215 1.961 1.00 0.00 H new ATOM 0 HD13 ILE A 25 11.210 8.032 2.611 1.00 0.00 H new ATOM 412 N GLN A 26 12.709 3.473 -0.770 1.00 0.00 N ATOM 413 CA GLN A 26 13.464 2.194 -0.619 1.00 0.00 C ATOM 414 C GLN A 26 12.599 1.027 -1.093 1.00 0.00 C ATOM 415 O GLN A 26 11.393 1.135 -1.202 1.00 0.00 O ATOM 416 CB GLN A 26 13.847 1.993 0.854 1.00 0.00 C ATOM 417 CG GLN A 26 14.697 0.726 1.005 1.00 0.00 C ATOM 418 CD GLN A 26 15.273 0.663 2.422 1.00 0.00 C ATOM 419 OE1 GLN A 26 14.538 0.645 3.389 1.00 0.00 O ATOM 420 NE2 GLN A 26 16.569 0.628 2.588 1.00 0.00 N ATOM 0 H GLN A 26 11.722 3.371 -1.008 1.00 0.00 H new ATOM 0 HA GLN A 26 14.370 2.236 -1.223 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.402 2.859 1.216 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.948 1.913 1.465 1.00 0.00 H new ATOM 0 HG2 GLN A 26 14.090 -0.158 0.808 1.00 0.00 H new ATOM 0 HG3 GLN A 26 15.504 0.728 0.273 1.00 0.00 H new ATOM 0 HE21 GLN A 26 17.188 0.643 1.777 1.00 0.00 H new ATOM 0 HE22 GLN A 26 16.962 0.586 3.528 1.00 0.00 H new ATOM 429 N LEU A 27 13.212 -0.099 -1.361 1.00 0.00 N ATOM 430 CA LEU A 27 12.444 -1.298 -1.818 1.00 0.00 C ATOM 431 C LEU A 27 12.891 -2.532 -1.047 1.00 0.00 C ATOM 432 O LEU A 27 13.979 -2.589 -0.508 1.00 0.00 O ATOM 433 CB LEU A 27 12.689 -1.521 -3.310 1.00 0.00 C ATOM 434 CG LEU A 27 12.092 -0.355 -4.103 1.00 0.00 C ATOM 435 CD1 LEU A 27 12.468 -0.500 -5.579 1.00 0.00 C ATOM 436 CD2 LEU A 27 10.557 -0.354 -3.957 1.00 0.00 C ATOM 0 H LEU A 27 14.219 -0.240 -1.282 1.00 0.00 H new ATOM 0 HA LEU A 27 11.382 -1.128 -1.638 1.00 0.00 H new ATOM 0 HB2 LEU A 27 13.758 -1.599 -3.507 1.00 0.00 H new ATOM 0 HB3 LEU A 27 12.237 -2.461 -3.628 1.00 0.00 H new ATOM 0 HG LEU A 27 12.487 0.584 -3.716 1.00 0.00 H new ATOM 0 HD11 LEU A 27 12.044 0.329 -6.146 1.00 0.00 H new ATOM 0 HD12 LEU A 27 13.553 -0.492 -5.681 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.075 -1.441 -5.964 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.138 0.478 -4.523 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.155 -1.292 -4.339 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.292 -0.247 -2.905 1.00 0.00 H new ATOM 448 N TRP A 28 12.055 -3.537 -1.002 1.00 0.00 N ATOM 449 CA TRP A 28 12.422 -4.790 -0.283 1.00 0.00 C ATOM 450 C TRP A 28 11.755 -5.985 -0.969 1.00 0.00 C ATOM 451 O TRP A 28 10.559 -6.006 -1.189 1.00 0.00 O ATOM 452 CB TRP A 28 11.951 -4.701 1.172 1.00 0.00 C ATOM 453 CG TRP A 28 12.771 -5.621 2.017 1.00 0.00 C ATOM 454 CD1 TRP A 28 14.025 -5.357 2.447 1.00 0.00 C ATOM 455 CD2 TRP A 28 12.433 -6.944 2.521 1.00 0.00 C ATOM 456 NE1 TRP A 28 14.475 -6.428 3.193 1.00 0.00 N ATOM 457 CE2 TRP A 28 13.529 -7.431 3.268 1.00 0.00 C ATOM 458 CE3 TRP A 28 11.291 -7.758 2.408 1.00 0.00 C ATOM 459 CZ2 TRP A 28 13.496 -8.683 3.882 1.00 0.00 C ATOM 460 CZ3 TRP A 28 11.254 -9.018 3.025 1.00 0.00 C ATOM 461 CH2 TRP A 28 12.354 -9.479 3.761 1.00 0.00 C ATOM 0 H TRP A 28 11.131 -3.542 -1.434 1.00 0.00 H new ATOM 0 HA TRP A 28 13.504 -4.919 -0.304 1.00 0.00 H new ATOM 0 HB2 TRP A 28 12.044 -3.677 1.534 1.00 0.00 H new ATOM 0 HB3 TRP A 28 10.897 -4.969 1.241 1.00 0.00 H new ATOM 0 HD1 TRP A 28 14.583 -4.456 2.241 1.00 0.00 H new ATOM 0 HE1 TRP A 28 15.393 -6.473 3.634 1.00 0.00 H new ATOM 0 HE3 TRP A 28 10.438 -7.411 1.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 14.347 -9.035 4.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 10.373 -9.636 2.932 1.00 0.00 H new ATOM 0 HH2 TRP A 28 12.319 -10.449 4.234 1.00 0.00 H new ATOM 472 N GLU A 29 12.526 -6.983 -1.298 1.00 0.00 N ATOM 473 CA GLU A 29 11.960 -8.191 -1.967 1.00 0.00 C ATOM 474 C GLU A 29 11.650 -9.264 -0.927 1.00 0.00 C ATOM 475 O GLU A 29 12.471 -9.587 -0.086 1.00 0.00 O ATOM 476 CB GLU A 29 12.968 -8.734 -2.986 1.00 0.00 C ATOM 477 CG GLU A 29 14.389 -8.636 -2.417 1.00 0.00 C ATOM 478 CD GLU A 29 14.905 -7.197 -2.533 1.00 0.00 C ATOM 479 OE1 GLU A 29 14.532 -6.528 -3.481 1.00 0.00 O ATOM 480 OE2 GLU A 29 15.666 -6.791 -1.669 1.00 0.00 O ATOM 0 H GLU A 29 13.532 -7.015 -1.132 1.00 0.00 H new ATOM 0 HA GLU A 29 11.039 -7.917 -2.481 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.733 -9.771 -3.226 1.00 0.00 H new ATOM 0 HB3 GLU A 29 12.899 -8.169 -3.915 1.00 0.00 H new ATOM 0 HG2 GLU A 29 14.393 -8.949 -1.373 1.00 0.00 H new ATOM 0 HG3 GLU A 29 15.052 -9.313 -2.956 1.00 0.00 H new ATOM 558 N ILE A 35 3.261 -12.610 -1.104 1.00 0.00 N ATOM 559 CA ILE A 35 3.635 -11.189 -1.373 1.00 0.00 C ATOM 560 C ILE A 35 4.802 -11.140 -2.354 1.00 0.00 C ATOM 561 O ILE A 35 5.694 -11.960 -2.333 1.00 0.00 O ATOM 562 CB ILE A 35 4.042 -10.506 -0.070 1.00 0.00 C ATOM 563 CG1 ILE A 35 2.836 -10.454 0.872 1.00 0.00 C ATOM 564 CG2 ILE A 35 4.511 -9.082 -0.376 1.00 0.00 C ATOM 565 CD1 ILE A 35 3.291 -10.003 2.262 1.00 0.00 C ATOM 0 HA ILE A 35 2.777 -10.671 -1.802 1.00 0.00 H new ATOM 0 HB ILE A 35 4.850 -11.064 0.403 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.086 -9.765 0.482 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.366 -11.436 0.933 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.803 -8.588 0.551 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.364 -9.118 -1.053 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.700 -8.524 -0.844 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.432 -9.966 2.932 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.025 -10.709 2.651 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.741 -9.012 2.194 1.00 0.00 H new ATOM 577 N SER A 36 4.782 -10.193 -3.243 1.00 0.00 N ATOM 578 CA SER A 36 5.873 -10.082 -4.250 1.00 0.00 C ATOM 579 C SER A 36 6.954 -9.126 -3.741 1.00 0.00 C ATOM 580 O SER A 36 8.125 -9.477 -3.624 1.00 0.00 O ATOM 581 CB SER A 36 5.298 -9.511 -5.548 1.00 0.00 C ATOM 582 OG SER A 36 5.313 -8.091 -5.484 1.00 0.00 O ATOM 0 H SER A 36 4.052 -9.484 -3.318 1.00 0.00 H new ATOM 0 HA SER A 36 6.303 -11.069 -4.422 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.884 -9.854 -6.401 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.279 -9.869 -5.696 1.00 0.00 H new ATOM 0 HG SER A 36 4.710 -7.789 -4.773 1.00 0.00 H new ATOM 588 N GLN A 37 6.580 -7.913 -3.423 1.00 0.00 N ATOM 589 CA GLN A 37 7.593 -6.935 -2.938 1.00 0.00 C ATOM 590 C GLN A 37 6.955 -5.936 -1.973 1.00 0.00 C ATOM 591 O GLN A 37 5.761 -5.712 -1.978 1.00 0.00 O ATOM 592 CB GLN A 37 8.168 -6.178 -4.139 1.00 0.00 C ATOM 593 CG GLN A 37 9.011 -7.130 -4.987 1.00 0.00 C ATOM 594 CD GLN A 37 9.714 -6.350 -6.096 1.00 0.00 C ATOM 595 OE1 GLN A 37 9.072 -5.819 -6.980 1.00 0.00 O ATOM 596 NE2 GLN A 37 11.015 -6.253 -6.083 1.00 0.00 N ATOM 0 H GLN A 37 5.624 -7.562 -3.478 1.00 0.00 H new ATOM 0 HA GLN A 37 8.384 -7.473 -2.414 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.360 -5.759 -4.739 1.00 0.00 H new ATOM 0 HB3 GLN A 37 8.778 -5.342 -3.797 1.00 0.00 H new ATOM 0 HG2 GLN A 37 9.748 -7.634 -4.361 1.00 0.00 H new ATOM 0 HG3 GLN A 37 8.377 -7.904 -5.420 1.00 0.00 H new ATOM 0 HE21 GLN A 37 11.552 -6.700 -5.340 1.00 0.00 H new ATOM 0 HE22 GLN A 37 11.495 -5.731 -6.816 1.00 0.00 H new ATOM 605 N VAL A 38 7.764 -5.313 -1.154 1.00 0.00 N ATOM 606 CA VAL A 38 7.244 -4.299 -0.190 1.00 0.00 C ATOM 607 C VAL A 38 8.301 -3.214 0.001 1.00 0.00 C ATOM 608 O VAL A 38 9.485 -3.489 0.055 1.00 0.00 O ATOM 609 CB VAL A 38 6.941 -4.970 1.151 1.00 0.00 C ATOM 610 CG1 VAL A 38 8.239 -5.488 1.761 1.00 0.00 C ATOM 611 CG2 VAL A 38 6.297 -3.958 2.105 1.00 0.00 C ATOM 0 H VAL A 38 8.772 -5.466 -1.113 1.00 0.00 H new ATOM 0 HA VAL A 38 6.327 -3.856 -0.577 1.00 0.00 H new ATOM 0 HB VAL A 38 6.253 -5.800 0.991 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.026 -5.967 2.717 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.695 -6.212 1.086 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.925 -4.656 1.917 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.083 -4.442 3.058 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.980 -3.124 2.266 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.369 -3.588 1.670 1.00 0.00 H new ATOM 621 N GLY A 39 7.889 -1.981 0.106 1.00 0.00 N ATOM 622 CA GLY A 39 8.886 -0.887 0.289 1.00 0.00 C ATOM 623 C GLY A 39 8.229 0.324 0.942 1.00 0.00 C ATOM 624 O GLY A 39 7.150 0.240 1.502 1.00 0.00 O ATOM 0 H GLY A 39 6.914 -1.684 0.074 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.712 -1.238 0.907 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.307 -0.605 -0.676 1.00 0.00 H new ATOM 628 N LEU A 40 8.890 1.454 0.880 1.00 0.00 N ATOM 629 CA LEU A 40 8.345 2.694 1.504 1.00 0.00 C ATOM 630 C LEU A 40 8.151 3.764 0.438 1.00 0.00 C ATOM 631 O LEU A 40 8.933 3.884 -0.483 1.00 0.00 O ATOM 632 CB LEU A 40 9.342 3.201 2.549 1.00 0.00 C ATOM 633 CG LEU A 40 8.715 4.351 3.352 1.00 0.00 C ATOM 634 CD1 LEU A 40 7.739 3.790 4.395 1.00 0.00 C ATOM 635 CD2 LEU A 40 9.819 5.137 4.060 1.00 0.00 C ATOM 0 H LEU A 40 9.792 1.568 0.419 1.00 0.00 H new ATOM 0 HA LEU A 40 7.386 2.476 1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.625 2.389 3.219 1.00 0.00 H new ATOM 0 HB3 LEU A 40 10.254 3.542 2.059 1.00 0.00 H new ATOM 0 HG LEU A 40 8.173 5.009 2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 40 7.299 4.611 4.960 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.950 3.232 3.892 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.274 3.128 5.075 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.376 5.953 4.630 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.361 4.475 4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.508 5.544 3.320 1.00 0.00 H new ATOM 647 N LEU A 41 7.112 4.553 0.564 1.00 0.00 N ATOM 648 CA LEU A 41 6.853 5.635 -0.437 1.00 0.00 C ATOM 649 C LEU A 41 7.033 7.000 0.221 1.00 0.00 C ATOM 650 O LEU A 41 6.485 7.281 1.272 1.00 0.00 O ATOM 651 CB LEU A 41 5.426 5.501 -0.956 1.00 0.00 C ATOM 652 CG LEU A 41 5.209 4.086 -1.493 1.00 0.00 C ATOM 653 CD1 LEU A 41 3.768 3.941 -1.986 1.00 0.00 C ATOM 654 CD2 LEU A 41 6.176 3.816 -2.656 1.00 0.00 C ATOM 0 H LEU A 41 6.430 4.494 1.320 1.00 0.00 H new ATOM 0 HA LEU A 41 7.556 5.544 -1.265 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.716 5.711 -0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.244 6.232 -1.744 1.00 0.00 H new ATOM 0 HG LEU A 41 5.396 3.368 -0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.614 2.932 -2.369 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.081 4.125 -1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.581 4.663 -2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.017 2.806 -3.035 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.995 4.536 -3.454 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.203 3.914 -2.305 1.00 0.00 H new ATOM 666 N GLY A 42 7.816 7.849 -0.393 1.00 0.00 N ATOM 667 CA GLY A 42 8.068 9.206 0.177 1.00 0.00 C ATOM 668 C GLY A 42 7.066 10.213 -0.381 1.00 0.00 C ATOM 669 O GLY A 42 7.223 10.730 -1.473 1.00 0.00 O ATOM 0 H GLY A 42 8.296 7.658 -1.273 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.991 9.171 1.264 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.083 9.524 -0.060 1.00 0.00 H new ATOM 673 N ASP A 43 6.033 10.510 0.366 1.00 0.00 N ATOM 674 CA ASP A 43 5.022 11.501 -0.107 1.00 0.00 C ATOM 675 C ASP A 43 5.299 12.860 0.539 1.00 0.00 C ATOM 676 O ASP A 43 5.909 12.957 1.587 1.00 0.00 O ATOM 677 CB ASP A 43 3.621 11.028 0.276 1.00 0.00 C ATOM 678 CG ASP A 43 3.245 9.817 -0.578 1.00 0.00 C ATOM 679 OD1 ASP A 43 3.248 9.951 -1.791 1.00 0.00 O ATOM 680 OD2 ASP A 43 2.958 8.779 -0.007 1.00 0.00 O ATOM 0 H ASP A 43 5.847 10.108 1.285 1.00 0.00 H new ATOM 0 HA ASP A 43 5.086 11.594 -1.191 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.590 10.765 1.333 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.900 11.831 0.126 1.00 0.00 H new ATOM 685 N GLU A 44 4.849 13.908 -0.089 1.00 0.00 N ATOM 686 CA GLU A 44 5.063 15.281 0.454 1.00 0.00 C ATOM 687 C GLU A 44 4.234 15.468 1.727 1.00 0.00 C ATOM 688 O GLU A 44 4.476 16.368 2.509 1.00 0.00 O ATOM 689 CB GLU A 44 4.627 16.302 -0.598 1.00 0.00 C ATOM 690 CG GLU A 44 3.207 15.974 -1.068 1.00 0.00 C ATOM 691 CD GLU A 44 2.734 17.042 -2.055 1.00 0.00 C ATOM 692 OE1 GLU A 44 3.537 17.469 -2.867 1.00 0.00 O ATOM 693 OE2 GLU A 44 1.574 17.413 -1.983 1.00 0.00 O ATOM 0 H GLU A 44 4.334 13.873 -0.969 1.00 0.00 H new ATOM 0 HA GLU A 44 6.117 15.423 0.693 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.660 17.308 -0.180 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.315 16.285 -1.444 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.187 14.992 -1.542 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.532 15.929 -0.214 1.00 0.00 H new ATOM 700 N THR A 45 3.259 14.627 1.942 1.00 0.00 N ATOM 701 CA THR A 45 2.411 14.753 3.166 1.00 0.00 C ATOM 702 C THR A 45 2.936 13.800 4.237 1.00 0.00 C ATOM 703 O THR A 45 2.557 13.879 5.389 1.00 0.00 O ATOM 704 CB THR A 45 0.961 14.402 2.814 1.00 0.00 C ATOM 705 OG1 THR A 45 0.943 13.282 1.943 1.00 0.00 O ATOM 706 CG2 THR A 45 0.291 15.596 2.122 1.00 0.00 C ATOM 0 H THR A 45 3.011 13.856 1.322 1.00 0.00 H new ATOM 0 HA THR A 45 2.449 15.775 3.544 1.00 0.00 H new ATOM 0 HB THR A 45 0.418 14.163 3.728 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.037 13.154 1.593 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.739 15.341 1.874 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.301 16.457 2.791 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.835 15.839 1.209 1.00 0.00 H new ATOM 714 N GLY A 46 3.817 12.907 3.874 1.00 0.00 N ATOM 715 CA GLY A 46 4.372 11.961 4.881 1.00 0.00 C ATOM 716 C GLY A 46 4.940 10.727 4.183 1.00 0.00 C ATOM 717 O GLY A 46 5.472 10.802 3.092 1.00 0.00 O ATOM 0 H GLY A 46 4.175 12.793 2.926 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.153 12.452 5.461 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.592 11.665 5.582 1.00 0.00 H new ATOM 721 N ILE A 47 4.847 9.589 4.817 1.00 0.00 N ATOM 722 CA ILE A 47 5.387 8.331 4.216 1.00 0.00 C ATOM 723 C ILE A 47 4.360 7.208 4.356 1.00 0.00 C ATOM 724 O ILE A 47 3.446 7.275 5.155 1.00 0.00 O ATOM 725 CB ILE A 47 6.686 7.934 4.927 1.00 0.00 C ATOM 726 CG1 ILE A 47 6.508 8.036 6.451 1.00 0.00 C ATOM 727 CG2 ILE A 47 7.815 8.852 4.481 1.00 0.00 C ATOM 728 CD1 ILE A 47 5.656 6.863 6.969 1.00 0.00 C ATOM 0 H ILE A 47 4.416 9.474 5.734 1.00 0.00 H new ATOM 0 HA ILE A 47 5.592 8.499 3.159 1.00 0.00 H new ATOM 0 HB ILE A 47 6.931 6.904 4.667 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.483 8.030 6.939 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.030 8.982 6.706 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.737 8.568 4.988 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.951 8.764 3.403 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.566 9.883 4.732 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.538 6.948 8.049 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.675 6.888 6.494 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.150 5.921 6.731 1.00 0.00 H new ATOM 740 N ILE A 48 4.503 6.171 3.579 1.00 0.00 N ATOM 741 CA ILE A 48 3.542 5.036 3.663 1.00 0.00 C ATOM 742 C ILE A 48 4.152 3.792 3.011 1.00 0.00 C ATOM 743 O ILE A 48 4.861 3.871 2.027 1.00 0.00 O ATOM 744 CB ILE A 48 2.241 5.407 2.956 1.00 0.00 C ATOM 745 CG1 ILE A 48 1.269 4.229 3.041 1.00 0.00 C ATOM 746 CG2 ILE A 48 2.522 5.734 1.490 1.00 0.00 C ATOM 747 CD1 ILE A 48 -0.124 4.687 2.607 1.00 0.00 C ATOM 0 H ILE A 48 5.245 6.060 2.888 1.00 0.00 H new ATOM 0 HA ILE A 48 3.330 4.823 4.711 1.00 0.00 H new ATOM 0 HB ILE A 48 1.803 6.281 3.438 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.611 3.414 2.403 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.236 3.843 4.060 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.590 5.998 0.991 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.215 6.573 1.431 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.962 4.865 1.001 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.818 3.848 2.667 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.465 5.488 3.263 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.084 5.052 1.581 1.00 0.00 H new ATOM 759 N LYS A 49 3.877 2.640 3.564 1.00 0.00 N ATOM 760 CA LYS A 49 4.429 1.372 3.005 1.00 0.00 C ATOM 761 C LYS A 49 3.400 0.703 2.107 1.00 0.00 C ATOM 762 O LYS A 49 2.202 0.816 2.313 1.00 0.00 O ATOM 763 CB LYS A 49 4.770 0.421 4.147 1.00 0.00 C ATOM 764 CG LYS A 49 5.957 0.978 4.930 1.00 0.00 C ATOM 765 CD LYS A 49 6.408 -0.043 5.979 1.00 0.00 C ATOM 766 CE LYS A 49 5.359 -0.148 7.090 1.00 0.00 C ATOM 767 NZ LYS A 49 5.953 -0.833 8.270 1.00 0.00 N ATOM 0 H LYS A 49 3.287 2.523 4.388 1.00 0.00 H new ATOM 0 HA LYS A 49 5.323 1.604 2.426 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.909 0.301 4.805 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.010 -0.567 3.754 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.779 1.204 4.251 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.678 1.913 5.415 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.554 -1.017 5.512 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.368 0.256 6.400 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.010 0.846 7.371 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.490 -0.702 6.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.241 -0.905 9.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.265 -1.787 7.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.769 -0.287 8.614 1.00 0.00 H new ATOM 781 N PHE A 50 3.847 0.000 1.093 1.00 0.00 N ATOM 782 CA PHE A 50 2.888 -0.680 0.172 1.00 0.00 C ATOM 783 C PHE A 50 3.418 -2.072 -0.167 1.00 0.00 C ATOM 784 O PHE A 50 4.592 -2.361 -0.015 1.00 0.00 O ATOM 785 CB PHE A 50 2.729 0.140 -1.111 1.00 0.00 C ATOM 786 CG PHE A 50 3.991 0.078 -1.954 1.00 0.00 C ATOM 787 CD1 PHE A 50 5.188 0.629 -1.476 1.00 0.00 C ATOM 788 CD2 PHE A 50 3.957 -0.522 -3.220 1.00 0.00 C ATOM 789 CE1 PHE A 50 6.345 0.578 -2.263 1.00 0.00 C ATOM 790 CE2 PHE A 50 5.112 -0.570 -4.005 1.00 0.00 C ATOM 791 CZ PHE A 50 6.306 -0.020 -3.527 1.00 0.00 C ATOM 0 H PHE A 50 4.833 -0.131 0.866 1.00 0.00 H new ATOM 0 HA PHE A 50 1.917 -0.767 0.658 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.884 -0.238 -1.686 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.506 1.177 -0.859 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.218 1.093 -0.501 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.036 -0.948 -3.590 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.268 1.001 -1.894 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.083 -1.032 -4.981 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.198 -0.057 -4.134 1.00 0.00 H new ATOM 801 N THR A 51 2.552 -2.949 -0.618 1.00 0.00 N ATOM 802 CA THR A 51 2.983 -4.341 -0.956 1.00 0.00 C ATOM 803 C THR A 51 2.397 -4.756 -2.304 1.00 0.00 C ATOM 804 O THR A 51 1.225 -4.575 -2.574 1.00 0.00 O ATOM 805 CB THR A 51 2.482 -5.295 0.131 1.00 0.00 C ATOM 806 OG1 THR A 51 2.793 -6.633 -0.237 1.00 0.00 O ATOM 807 CG2 THR A 51 0.967 -5.150 0.290 1.00 0.00 C ATOM 0 H THR A 51 1.561 -2.758 -0.767 1.00 0.00 H new ATOM 0 HA THR A 51 4.071 -4.380 -1.014 1.00 0.00 H new ATOM 0 HB THR A 51 2.967 -5.052 1.076 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.475 -7.246 0.458 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.616 -5.831 1.065 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.727 -4.125 0.572 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.477 -5.390 -0.654 1.00 0.00 H new ATOM 815 N ILE A 52 3.215 -5.319 -3.153 1.00 0.00 N ATOM 816 CA ILE A 52 2.737 -5.761 -4.497 1.00 0.00 C ATOM 817 C ILE A 52 2.544 -7.277 -4.501 1.00 0.00 C ATOM 818 O ILE A 52 3.409 -8.032 -4.096 1.00 0.00 O ATOM 819 CB ILE A 52 3.770 -5.378 -5.550 1.00 0.00 C ATOM 820 CG1 ILE A 52 3.943 -3.857 -5.560 1.00 0.00 C ATOM 821 CG2 ILE A 52 3.288 -5.845 -6.925 1.00 0.00 C ATOM 822 CD1 ILE A 52 5.175 -3.477 -6.388 1.00 0.00 C ATOM 0 H ILE A 52 4.203 -5.493 -2.971 1.00 0.00 H new ATOM 0 HA ILE A 52 1.787 -5.276 -4.722 1.00 0.00 H new ATOM 0 HB ILE A 52 4.724 -5.852 -5.318 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.054 -3.384 -5.977 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.052 -3.488 -4.540 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.025 -5.573 -7.681 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.159 -6.927 -6.917 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.336 -5.368 -7.158 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.292 -2.393 -6.391 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.062 -3.936 -5.952 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.049 -3.831 -7.411 1.00 0.00 H new ATOM 834 N TRP A 53 1.400 -7.728 -4.941 1.00 0.00 N ATOM 835 CA TRP A 53 1.120 -9.193 -4.963 1.00 0.00 C ATOM 836 C TRP A 53 1.627 -9.815 -6.266 1.00 0.00 C ATOM 837 O TRP A 53 1.509 -9.246 -7.334 1.00 0.00 O ATOM 838 CB TRP A 53 -0.393 -9.407 -4.857 1.00 0.00 C ATOM 839 CG TRP A 53 -0.851 -8.996 -3.495 1.00 0.00 C ATOM 840 CD1 TRP A 53 -1.078 -7.721 -3.104 1.00 0.00 C ATOM 841 CD2 TRP A 53 -1.141 -9.837 -2.345 1.00 0.00 C ATOM 842 NE1 TRP A 53 -1.483 -7.727 -1.781 1.00 0.00 N ATOM 843 CE2 TRP A 53 -1.539 -9.008 -1.270 1.00 0.00 C ATOM 844 CE3 TRP A 53 -1.096 -11.226 -2.130 1.00 0.00 C ATOM 845 CZ2 TRP A 53 -1.881 -9.539 -0.026 1.00 0.00 C ATOM 846 CZ3 TRP A 53 -1.440 -11.764 -0.881 1.00 0.00 C ATOM 847 CH2 TRP A 53 -1.831 -10.922 0.170 1.00 0.00 C ATOM 0 H TRP A 53 0.642 -7.140 -5.289 1.00 0.00 H new ATOM 0 HA TRP A 53 1.631 -9.668 -4.126 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -0.910 -8.824 -5.619 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -0.638 -10.454 -5.036 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.962 -6.843 -3.722 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.712 -6.888 -1.249 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -0.794 -11.883 -2.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -2.182 -8.886 0.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -1.404 -12.832 -0.728 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -2.093 -11.342 1.130 1.00 0.00 H new ATOM 858 N LYS A 54 2.182 -10.991 -6.177 1.00 0.00 N ATOM 859 CA LYS A 54 2.696 -11.682 -7.393 1.00 0.00 C ATOM 860 C LYS A 54 1.580 -11.786 -8.432 1.00 0.00 C ATOM 861 O LYS A 54 1.828 -11.925 -9.613 1.00 0.00 O ATOM 862 CB LYS A 54 3.153 -13.095 -6.999 1.00 0.00 C ATOM 863 CG LYS A 54 4.562 -13.049 -6.386 1.00 0.00 C ATOM 864 CD LYS A 54 5.613 -13.073 -7.501 1.00 0.00 C ATOM 865 CE LYS A 54 7.009 -13.073 -6.887 1.00 0.00 C ATOM 866 NZ LYS A 54 8.028 -13.135 -7.972 1.00 0.00 N ATOM 0 H LYS A 54 2.303 -11.508 -5.306 1.00 0.00 H new ATOM 0 HA LYS A 54 3.530 -11.120 -7.814 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.452 -13.525 -6.284 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.151 -13.743 -7.876 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.678 -12.148 -5.784 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.706 -13.899 -5.719 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.478 -13.958 -8.123 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.490 -12.206 -8.150 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.154 -12.174 -6.288 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.123 -13.925 -6.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.980 -13.135 -7.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.893 -14.005 -8.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.923 -12.308 -8.594 1.00 0.00 H new ATOM 880 N ASN A 55 0.356 -11.739 -7.994 1.00 0.00 N ATOM 881 CA ASN A 55 -0.787 -11.850 -8.943 1.00 0.00 C ATOM 882 C ASN A 55 -0.905 -10.562 -9.760 1.00 0.00 C ATOM 883 O ASN A 55 -1.685 -10.474 -10.687 1.00 0.00 O ATOM 884 CB ASN A 55 -2.077 -12.073 -8.148 1.00 0.00 C ATOM 885 CG ASN A 55 -2.087 -13.490 -7.570 1.00 0.00 C ATOM 886 OD1 ASN A 55 -1.362 -14.351 -8.026 1.00 0.00 O ATOM 887 ND2 ASN A 55 -2.889 -13.769 -6.578 1.00 0.00 N ATOM 0 H ASN A 55 0.095 -11.628 -7.014 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.622 -12.688 -9.620 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.151 -11.341 -7.344 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.943 -11.927 -8.793 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.907 -14.710 -6.186 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.498 -13.046 -6.195 1.00 0.00 H new ATOM 894 N ALA A 56 -0.135 -9.562 -9.430 1.00 0.00 N ATOM 895 CA ALA A 56 -0.201 -8.283 -10.195 1.00 0.00 C ATOM 896 C ALA A 56 0.743 -8.369 -11.402 1.00 0.00 C ATOM 897 O ALA A 56 0.475 -7.828 -12.456 1.00 0.00 O ATOM 898 CB ALA A 56 0.231 -7.126 -9.279 1.00 0.00 C ATOM 0 H ALA A 56 0.538 -9.574 -8.663 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.219 -8.109 -10.544 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.185 -6.188 -9.832 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.437 -7.074 -8.419 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.252 -7.295 -8.936 1.00 0.00 H new ATOM 904 N GLU A 57 1.846 -9.051 -11.241 1.00 0.00 N ATOM 905 CA GLU A 57 2.829 -9.193 -12.356 1.00 0.00 C ATOM 906 C GLU A 57 3.231 -7.814 -12.882 1.00 0.00 C ATOM 907 O GLU A 57 3.160 -7.546 -14.067 1.00 0.00 O ATOM 908 CB GLU A 57 2.211 -10.025 -13.483 1.00 0.00 C ATOM 909 CG GLU A 57 2.018 -11.463 -12.996 1.00 0.00 C ATOM 910 CD GLU A 57 1.326 -12.287 -14.082 1.00 0.00 C ATOM 911 OE1 GLU A 57 0.392 -11.779 -14.680 1.00 0.00 O ATOM 912 OE2 GLU A 57 1.737 -13.416 -14.294 1.00 0.00 O ATOM 0 H GLU A 57 2.111 -9.521 -10.375 1.00 0.00 H new ATOM 0 HA GLU A 57 3.720 -9.698 -11.984 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.254 -9.598 -13.784 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.858 -10.009 -14.360 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.983 -11.906 -12.749 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.421 -11.471 -12.084 1.00 0.00 H new ATOM 919 N LEU A 58 3.664 -6.942 -12.008 1.00 0.00 N ATOM 920 CA LEU A 58 4.088 -5.575 -12.440 1.00 0.00 C ATOM 921 C LEU A 58 5.620 -5.484 -12.412 1.00 0.00 C ATOM 922 O LEU A 58 6.277 -6.201 -11.682 1.00 0.00 O ATOM 923 CB LEU A 58 3.489 -4.536 -11.484 1.00 0.00 C ATOM 924 CG LEU A 58 2.158 -4.027 -12.048 1.00 0.00 C ATOM 925 CD1 LEU A 58 1.192 -5.198 -12.220 1.00 0.00 C ATOM 926 CD2 LEU A 58 1.562 -3.006 -11.085 1.00 0.00 C ATOM 0 H LEU A 58 3.743 -7.119 -11.007 1.00 0.00 H new ATOM 0 HA LEU A 58 3.735 -5.382 -13.453 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.333 -4.979 -10.500 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.182 -3.705 -11.353 1.00 0.00 H new ATOM 0 HG LEU A 58 2.327 -3.558 -13.017 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.246 -4.834 -12.621 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.622 -5.926 -12.908 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.018 -5.671 -11.254 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.615 -2.641 -11.482 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.392 -3.476 -10.116 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.252 -2.171 -10.967 1.00 0.00 H new ATOM 938 N PRO A 59 6.180 -4.593 -13.193 1.00 0.00 N ATOM 939 CA PRO A 59 7.657 -4.392 -13.260 1.00 0.00 C ATOM 940 C PRO A 59 8.245 -3.872 -11.942 1.00 0.00 C ATOM 941 O PRO A 59 7.568 -3.268 -11.135 1.00 0.00 O ATOM 942 CB PRO A 59 7.847 -3.363 -14.388 1.00 0.00 C ATOM 943 CG PRO A 59 6.525 -2.670 -14.523 1.00 0.00 C ATOM 944 CD PRO A 59 5.463 -3.682 -14.100 1.00 0.00 C ATOM 0 HA PRO A 59 8.177 -5.332 -13.444 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.639 -2.655 -14.144 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.132 -3.851 -15.320 1.00 0.00 H new ATOM 0 HG2 PRO A 59 6.487 -1.781 -13.894 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.362 -2.342 -15.549 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.626 -3.196 -13.598 1.00 0.00 H new ATOM 0 HD3 PRO A 59 5.054 -4.214 -14.959 1.00 0.00 H new ATOM 952 N LEU A 60 9.510 -4.116 -11.730 1.00 0.00 N ATOM 953 CA LEU A 60 10.167 -3.661 -10.472 1.00 0.00 C ATOM 954 C LEU A 60 10.289 -2.136 -10.447 1.00 0.00 C ATOM 955 O LEU A 60 10.590 -1.500 -11.437 1.00 0.00 O ATOM 956 CB LEU A 60 11.564 -4.280 -10.387 1.00 0.00 C ATOM 957 CG LEU A 60 11.466 -5.798 -10.568 1.00 0.00 C ATOM 958 CD1 LEU A 60 12.869 -6.406 -10.544 1.00 0.00 C ATOM 959 CD2 LEU A 60 10.628 -6.403 -9.432 1.00 0.00 C ATOM 0 H LEU A 60 10.120 -4.614 -12.378 1.00 0.00 H new ATOM 0 HA LEU A 60 9.560 -3.976 -9.623 1.00 0.00 H new ATOM 0 HB2 LEU A 60 12.209 -3.853 -11.155 1.00 0.00 H new ATOM 0 HB3 LEU A 60 12.018 -4.047 -9.424 1.00 0.00 H new ATOM 0 HG LEU A 60 10.989 -6.016 -11.524 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.800 -7.486 -10.673 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.463 -5.982 -11.353 1.00 0.00 H new ATOM 0 HD13 LEU A 60 13.345 -6.184 -9.589 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.561 -7.483 -9.565 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.101 -6.184 -8.475 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.627 -5.972 -9.449 1.00 0.00 H new ATOM 971 N LEU A 61 10.054 -1.555 -9.302 1.00 0.00 N ATOM 972 CA LEU A 61 10.141 -0.074 -9.164 1.00 0.00 C ATOM 973 C LEU A 61 11.593 0.349 -8.946 1.00 0.00 C ATOM 974 O LEU A 61 12.398 -0.398 -8.425 1.00 0.00 O ATOM 975 CB LEU A 61 9.296 0.366 -7.967 1.00 0.00 C ATOM 976 CG LEU A 61 7.821 0.411 -8.371 1.00 0.00 C ATOM 977 CD1 LEU A 61 7.361 -0.982 -8.804 1.00 0.00 C ATOM 978 CD2 LEU A 61 6.986 0.879 -7.178 1.00 0.00 C ATOM 0 H LEU A 61 9.802 -2.050 -8.446 1.00 0.00 H new ATOM 0 HA LEU A 61 9.770 0.396 -10.075 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.435 -0.326 -7.136 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.619 1.348 -7.622 1.00 0.00 H new ATOM 0 HG LEU A 61 7.693 1.104 -9.203 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.310 -0.945 -9.091 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.958 -1.314 -9.653 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.487 -1.680 -7.977 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.934 0.913 -7.461 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.116 0.185 -6.348 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.312 1.874 -6.874 1.00 0.00 H new ATOM 990 N GLU A 62 11.930 1.549 -9.343 1.00 0.00 N ATOM 991 CA GLU A 62 13.330 2.040 -9.172 1.00 0.00 C ATOM 992 C GLU A 62 13.405 3.032 -8.006 1.00 0.00 C ATOM 993 O GLU A 62 12.592 3.926 -7.874 1.00 0.00 O ATOM 994 CB GLU A 62 13.778 2.729 -10.457 1.00 0.00 C ATOM 995 CG GLU A 62 15.245 3.135 -10.322 1.00 0.00 C ATOM 996 CD GLU A 62 15.731 3.751 -11.634 1.00 0.00 C ATOM 997 OE1 GLU A 62 14.896 4.045 -12.473 1.00 0.00 O ATOM 998 OE2 GLU A 62 16.931 3.919 -11.777 1.00 0.00 O ATOM 0 H GLU A 62 11.292 2.213 -9.781 1.00 0.00 H new ATOM 0 HA GLU A 62 13.983 1.194 -8.957 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.650 2.059 -11.307 1.00 0.00 H new ATOM 0 HB3 GLU A 62 13.161 3.607 -10.648 1.00 0.00 H new ATOM 0 HG2 GLU A 62 15.361 3.851 -9.508 1.00 0.00 H new ATOM 0 HG3 GLU A 62 15.852 2.265 -10.071 1.00 0.00 H new ATOM 1005 N GLN A 63 14.378 2.859 -7.154 1.00 0.00 N ATOM 1006 CA GLN A 63 14.532 3.761 -5.977 1.00 0.00 C ATOM 1007 C GLN A 63 14.924 5.168 -6.425 1.00 0.00 C ATOM 1008 O GLN A 63 15.741 5.356 -7.307 1.00 0.00 O ATOM 1009 CB GLN A 63 15.608 3.200 -5.048 1.00 0.00 C ATOM 1010 CG GLN A 63 15.093 1.903 -4.421 1.00 0.00 C ATOM 1011 CD GLN A 63 16.191 1.253 -3.571 1.00 0.00 C ATOM 1012 OE1 GLN A 63 16.054 1.131 -2.372 1.00 0.00 O ATOM 1013 NE2 GLN A 63 17.279 0.825 -4.144 1.00 0.00 N ATOM 0 H GLN A 63 15.081 2.123 -7.224 1.00 0.00 H new ATOM 0 HA GLN A 63 13.580 3.818 -5.450 1.00 0.00 H new ATOM 0 HB2 GLN A 63 16.526 3.011 -5.605 1.00 0.00 H new ATOM 0 HB3 GLN A 63 15.850 3.925 -4.271 1.00 0.00 H new ATOM 0 HG2 GLN A 63 14.220 2.111 -3.803 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.773 1.215 -5.203 1.00 0.00 H new ATOM 0 HE21 GLN A 63 17.398 0.926 -5.152 1.00 0.00 H new ATOM 0 HE22 GLN A 63 18.012 0.389 -3.585 1.00 0.00 H new ATOM 1022 N GLY A 64 14.345 6.160 -5.806 1.00 0.00 N ATOM 1023 CA GLY A 64 14.664 7.571 -6.160 1.00 0.00 C ATOM 1024 C GLY A 64 13.807 8.002 -7.344 1.00 0.00 C ATOM 1025 O GLY A 64 13.778 9.161 -7.714 1.00 0.00 O ATOM 0 H GLY A 64 13.656 6.051 -5.061 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.478 8.223 -5.306 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.721 7.665 -6.409 1.00 0.00 H new ATOM 1029 N GLU A 65 13.119 7.080 -7.961 1.00 0.00 N ATOM 1030 CA GLU A 65 12.279 7.437 -9.141 1.00 0.00 C ATOM 1031 C GLU A 65 10.837 7.717 -8.707 1.00 0.00 C ATOM 1032 O GLU A 65 10.333 7.151 -7.751 1.00 0.00 O ATOM 1033 CB GLU A 65 12.297 6.279 -10.140 1.00 0.00 C ATOM 1034 CG GLU A 65 11.677 6.740 -11.462 1.00 0.00 C ATOM 1035 CD GLU A 65 12.620 7.731 -12.148 1.00 0.00 C ATOM 1036 OE1 GLU A 65 13.737 7.878 -11.677 1.00 0.00 O ATOM 1037 OE2 GLU A 65 12.213 8.323 -13.133 1.00 0.00 O ATOM 0 H GLU A 65 13.102 6.094 -7.699 1.00 0.00 H new ATOM 0 HA GLU A 65 12.684 8.336 -9.606 1.00 0.00 H new ATOM 0 HB2 GLU A 65 13.320 5.941 -10.304 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.741 5.431 -9.741 1.00 0.00 H new ATOM 0 HG2 GLU A 65 11.498 5.883 -12.111 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.710 7.208 -11.279 1.00 0.00 H new ATOM 1044 N SER A 66 10.170 8.579 -9.428 1.00 0.00 N ATOM 1045 CA SER A 66 8.754 8.911 -9.109 1.00 0.00 C ATOM 1046 C SER A 66 7.819 7.950 -9.844 1.00 0.00 C ATOM 1047 O SER A 66 8.104 7.499 -10.938 1.00 0.00 O ATOM 1048 CB SER A 66 8.462 10.343 -9.546 1.00 0.00 C ATOM 1049 OG SER A 66 8.963 10.538 -10.860 1.00 0.00 O ATOM 0 H SER A 66 10.553 9.072 -10.234 1.00 0.00 H new ATOM 0 HA SER A 66 8.592 8.815 -8.035 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.389 10.533 -9.521 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.927 11.049 -8.858 1.00 0.00 H new ATOM 0 HG SER A 66 9.383 11.421 -10.922 1.00 0.00 H new ATOM 1055 N TYR A 67 6.693 7.636 -9.254 1.00 0.00 N ATOM 1056 CA TYR A 67 5.726 6.705 -9.914 1.00 0.00 C ATOM 1057 C TYR A 67 4.295 7.165 -9.657 1.00 0.00 C ATOM 1058 O TYR A 67 3.996 7.788 -8.660 1.00 0.00 O ATOM 1059 CB TYR A 67 5.908 5.295 -9.349 1.00 0.00 C ATOM 1060 CG TYR A 67 7.190 4.696 -9.879 1.00 0.00 C ATOM 1061 CD1 TYR A 67 7.278 4.318 -11.224 1.00 0.00 C ATOM 1062 CD2 TYR A 67 8.286 4.518 -9.031 1.00 0.00 C ATOM 1063 CE1 TYR A 67 8.463 3.762 -11.718 1.00 0.00 C ATOM 1064 CE2 TYR A 67 9.469 3.960 -9.522 1.00 0.00 C ATOM 1065 CZ TYR A 67 9.559 3.583 -10.866 1.00 0.00 C ATOM 1066 OH TYR A 67 10.728 3.037 -11.353 1.00 0.00 O ATOM 0 H TYR A 67 6.401 7.985 -8.341 1.00 0.00 H new ATOM 0 HA TYR A 67 5.916 6.702 -10.987 1.00 0.00 H new ATOM 0 HB2 TYR A 67 5.934 5.330 -8.260 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.060 4.669 -9.627 1.00 0.00 H new ATOM 0 HD1 TYR A 67 6.431 4.456 -11.880 1.00 0.00 H new ATOM 0 HD2 TYR A 67 8.219 4.812 -7.994 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.532 3.471 -12.756 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.314 3.820 -8.864 1.00 0.00 H new ATOM 0 HH TYR A 67 11.239 3.726 -11.826 1.00 0.00 H new ATOM 1076 N LEU A 68 3.412 6.836 -10.558 1.00 0.00 N ATOM 1077 CA LEU A 68 1.980 7.218 -10.399 1.00 0.00 C ATOM 1078 C LEU A 68 1.190 5.970 -10.023 1.00 0.00 C ATOM 1079 O LEU A 68 1.356 4.922 -10.611 1.00 0.00 O ATOM 1080 CB LEU A 68 1.462 7.803 -11.712 1.00 0.00 C ATOM 1081 CG LEU A 68 -0.003 8.226 -11.564 1.00 0.00 C ATOM 1082 CD1 LEU A 68 -0.111 9.456 -10.655 1.00 0.00 C ATOM 1083 CD2 LEU A 68 -0.571 8.559 -12.944 1.00 0.00 C ATOM 0 H LEU A 68 3.624 6.313 -11.408 1.00 0.00 H new ATOM 0 HA LEU A 68 1.868 7.970 -9.618 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.068 8.662 -12.000 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.556 7.065 -12.509 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.568 7.408 -11.117 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.157 9.746 -10.558 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.292 9.218 -9.671 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.455 10.280 -11.089 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.614 8.861 -12.845 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.002 9.374 -13.386 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.507 7.680 -13.586 1.00 0.00 H new ATOM 1095 N LEU A 69 0.333 6.071 -9.036 1.00 0.00 N ATOM 1096 CA LEU A 69 -0.471 4.887 -8.603 1.00 0.00 C ATOM 1097 C LEU A 69 -1.931 5.096 -8.976 1.00 0.00 C ATOM 1098 O LEU A 69 -2.617 5.923 -8.406 1.00 0.00 O ATOM 1099 CB LEU A 69 -0.353 4.736 -7.086 1.00 0.00 C ATOM 1100 CG LEU A 69 1.126 4.727 -6.692 1.00 0.00 C ATOM 1101 CD1 LEU A 69 1.253 4.626 -5.170 1.00 0.00 C ATOM 1102 CD2 LEU A 69 1.824 3.526 -7.345 1.00 0.00 C ATOM 0 H LEU A 69 0.156 6.927 -8.510 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.098 3.990 -9.097 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.869 5.556 -6.586 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.833 3.812 -6.763 1.00 0.00 H new ATOM 0 HG LEU A 69 1.595 5.650 -7.033 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.307 4.620 -4.892 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.761 5.481 -4.706 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.782 3.705 -4.826 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.877 3.520 -7.064 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.353 2.603 -7.006 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.738 3.601 -8.429 1.00 0.00 H new ATOM 1114 N ARG A 70 -2.411 4.351 -9.939 1.00 0.00 N ATOM 1115 CA ARG A 70 -3.832 4.493 -10.375 1.00 0.00 C ATOM 1116 C ARG A 70 -4.626 3.231 -10.047 1.00 0.00 C ATOM 1117 O ARG A 70 -4.141 2.122 -10.162 1.00 0.00 O ATOM 1118 CB ARG A 70 -3.877 4.731 -11.883 1.00 0.00 C ATOM 1119 CG ARG A 70 -3.375 6.138 -12.203 1.00 0.00 C ATOM 1120 CD ARG A 70 -3.308 6.326 -13.721 1.00 0.00 C ATOM 1121 NE ARG A 70 -4.680 6.194 -14.294 1.00 0.00 N ATOM 1122 CZ ARG A 70 -4.860 6.200 -15.589 1.00 0.00 C ATOM 1123 NH1 ARG A 70 -3.841 6.325 -16.396 1.00 0.00 N ATOM 1124 NH2 ARG A 70 -6.065 6.085 -16.076 1.00 0.00 N ATOM 0 H ARG A 70 -1.875 3.646 -10.445 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.275 5.337 -9.846 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.262 3.991 -12.395 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.896 4.607 -12.249 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.040 6.881 -11.763 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.390 6.292 -11.763 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -2.894 7.306 -13.960 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -2.644 5.583 -14.162 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.482 6.099 -13.671 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -2.899 6.419 -16.017 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.987 6.329 -17.405 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.862 5.991 -15.447 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.210 6.089 -17.086 1.00 0.00 H new ATOM 1138 N SER A 71 -5.858 3.410 -9.655 1.00 0.00 N ATOM 1139 CA SER A 71 -6.746 2.258 -9.332 1.00 0.00 C ATOM 1140 C SER A 71 -6.126 1.385 -8.247 1.00 0.00 C ATOM 1141 O SER A 71 -5.916 0.200 -8.436 1.00 0.00 O ATOM 1142 CB SER A 71 -7.000 1.425 -10.593 1.00 0.00 C ATOM 1143 OG SER A 71 -7.420 0.119 -10.220 1.00 0.00 O ATOM 0 H SER A 71 -6.294 4.325 -9.543 1.00 0.00 H new ATOM 0 HA SER A 71 -7.694 2.647 -8.961 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.762 1.902 -11.210 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.092 1.369 -11.194 1.00 0.00 H new ATOM 0 HG SER A 71 -6.705 -0.324 -9.717 1.00 0.00 H new ATOM 1149 N VAL A 72 -5.842 1.953 -7.101 1.00 0.00 N ATOM 1150 CA VAL A 72 -5.249 1.149 -5.983 1.00 0.00 C ATOM 1151 C VAL A 72 -6.248 1.062 -4.840 1.00 0.00 C ATOM 1152 O VAL A 72 -7.198 1.819 -4.773 1.00 0.00 O ATOM 1153 CB VAL A 72 -3.954 1.800 -5.501 1.00 0.00 C ATOM 1154 CG1 VAL A 72 -2.907 1.726 -6.618 1.00 0.00 C ATOM 1155 CG2 VAL A 72 -4.204 3.265 -5.133 1.00 0.00 C ATOM 0 H VAL A 72 -5.995 2.939 -6.890 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.022 0.144 -6.340 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.594 1.271 -4.619 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.980 2.189 -6.279 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.719 0.683 -6.872 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.276 2.253 -7.498 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.274 3.718 -4.791 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.569 3.803 -6.008 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.947 3.319 -4.338 1.00 0.00 H new ATOM 1165 N VAL A 73 -6.037 0.142 -3.933 1.00 0.00 N ATOM 1166 CA VAL A 73 -6.973 -0.021 -2.777 1.00 0.00 C ATOM 1167 C VAL A 73 -6.194 0.036 -1.463 1.00 0.00 C ATOM 1168 O VAL A 73 -5.010 -0.237 -1.408 1.00 0.00 O ATOM 1169 CB VAL A 73 -7.699 -1.362 -2.905 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -6.693 -2.513 -2.843 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -8.709 -1.504 -1.766 1.00 0.00 C ATOM 0 H VAL A 73 -5.251 -0.508 -3.943 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.704 0.787 -2.781 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.218 -1.396 -3.863 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -7.220 -3.462 -2.935 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.977 -2.415 -3.659 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.164 -2.483 -1.891 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.227 -2.459 -1.856 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -8.187 -1.463 -0.810 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -9.434 -0.692 -1.819 1.00 0.00 H new ATOM 1181 N VAL A 74 -6.858 0.413 -0.402 1.00 0.00 N ATOM 1182 CA VAL A 74 -6.181 0.517 0.924 1.00 0.00 C ATOM 1183 C VAL A 74 -6.393 -0.771 1.717 1.00 0.00 C ATOM 1184 O VAL A 74 -7.498 -1.260 1.857 1.00 0.00 O ATOM 1185 CB VAL A 74 -6.767 1.699 1.691 1.00 0.00 C ATOM 1186 CG1 VAL A 74 -6.100 1.804 3.063 1.00 0.00 C ATOM 1187 CG2 VAL A 74 -6.513 2.981 0.898 1.00 0.00 C ATOM 0 H VAL A 74 -7.849 0.655 -0.398 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.112 0.669 0.778 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.839 1.555 1.826 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.521 2.649 3.608 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.276 0.886 3.624 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.028 1.952 2.936 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.928 3.832 1.439 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.440 3.122 0.769 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.989 2.905 -0.079 1.00 0.00 H new ATOM 1197 N GLY A 75 -5.331 -1.327 2.240 1.00 0.00 N ATOM 1198 CA GLY A 75 -5.437 -2.592 3.028 1.00 0.00 C ATOM 1199 C GLY A 75 -5.403 -2.286 4.526 1.00 0.00 C ATOM 1200 O GLY A 75 -4.817 -1.314 4.967 1.00 0.00 O ATOM 0 H GLY A 75 -4.385 -0.955 2.154 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.363 -3.109 2.776 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.617 -3.261 2.767 1.00 0.00 H new ATOM 1204 N GLU A 76 -6.037 -3.114 5.312 1.00 0.00 N ATOM 1205 CA GLU A 76 -6.059 -2.888 6.786 1.00 0.00 C ATOM 1206 C GLU A 76 -4.886 -3.623 7.438 1.00 0.00 C ATOM 1207 O GLU A 76 -4.958 -4.803 7.727 1.00 0.00 O ATOM 1208 CB GLU A 76 -7.377 -3.419 7.354 1.00 0.00 C ATOM 1209 CG GLU A 76 -7.451 -3.103 8.848 1.00 0.00 C ATOM 1210 CD GLU A 76 -8.805 -3.550 9.403 1.00 0.00 C ATOM 1211 OE1 GLU A 76 -9.496 -4.279 8.712 1.00 0.00 O ATOM 1212 OE2 GLU A 76 -9.126 -3.156 10.512 1.00 0.00 O ATOM 0 H GLU A 76 -6.543 -3.941 4.995 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.972 -1.822 6.994 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.220 -2.964 6.833 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.447 -4.495 7.195 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.645 -3.611 9.377 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.315 -2.034 9.011 1.00 0.00 H new ATOM 1219 N TYR A 77 -3.801 -2.928 7.670 1.00 0.00 N ATOM 1220 CA TYR A 77 -2.613 -3.574 8.300 1.00 0.00 C ATOM 1221 C TYR A 77 -2.658 -3.326 9.807 1.00 0.00 C ATOM 1222 O TYR A 77 -2.295 -2.273 10.290 1.00 0.00 O ATOM 1223 CB TYR A 77 -1.341 -2.974 7.691 1.00 0.00 C ATOM 1224 CG TYR A 77 -0.167 -3.892 7.939 1.00 0.00 C ATOM 1225 CD1 TYR A 77 -0.151 -5.171 7.371 1.00 0.00 C ATOM 1226 CD2 TYR A 77 0.905 -3.463 8.732 1.00 0.00 C ATOM 1227 CE1 TYR A 77 0.936 -6.022 7.594 1.00 0.00 C ATOM 1228 CE2 TYR A 77 1.992 -4.314 8.954 1.00 0.00 C ATOM 1229 CZ TYR A 77 2.008 -5.594 8.387 1.00 0.00 C ATOM 1230 OH TYR A 77 3.083 -6.430 8.604 1.00 0.00 O ATOM 0 H TYR A 77 -3.688 -1.939 7.449 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.618 -4.649 8.119 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -1.476 -2.824 6.620 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -1.146 -1.994 8.128 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -0.978 -5.501 6.760 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.892 -2.476 9.171 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.949 -7.009 7.155 1.00 0.00 H new ATOM 0 HE2 TYR A 77 2.820 -3.984 9.563 1.00 0.00 H new ATOM 0 HH TYR A 77 3.739 -5.978 9.175 1.00 0.00 H new ATOM 1240 N ASN A 78 -3.102 -4.308 10.546 1.00 0.00 N ATOM 1241 CA ASN A 78 -3.197 -4.185 12.035 1.00 0.00 C ATOM 1242 C ASN A 78 -3.636 -2.766 12.429 1.00 0.00 C ATOM 1243 O ASN A 78 -4.766 -2.373 12.222 1.00 0.00 O ATOM 1244 CB ASN A 78 -1.837 -4.515 12.677 1.00 0.00 C ATOM 1245 CG ASN A 78 -0.708 -3.983 11.790 1.00 0.00 C ATOM 1246 OD1 ASN A 78 -0.503 -4.469 10.696 1.00 0.00 O ATOM 1247 ND2 ASN A 78 0.039 -2.998 12.211 1.00 0.00 N ATOM 0 H ASN A 78 -3.409 -5.207 10.176 1.00 0.00 H new ATOM 0 HA ASN A 78 -3.943 -4.892 12.397 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.774 -4.069 13.670 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.736 -5.593 12.805 1.00 0.00 H new ATOM 0 HD21 ASN A 78 0.791 -2.640 11.622 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.129 -2.587 13.129 1.00 0.00 H new ATOM 1254 N ASP A 79 -2.747 -2.010 13.016 1.00 0.00 N ATOM 1255 CA ASP A 79 -3.084 -0.622 13.449 1.00 0.00 C ATOM 1256 C ASP A 79 -2.665 0.373 12.372 1.00 0.00 C ATOM 1257 O ASP A 79 -3.143 1.487 12.327 1.00 0.00 O ATOM 1258 CB ASP A 79 -2.347 -0.303 14.755 1.00 0.00 C ATOM 1259 CG ASP A 79 -2.963 -1.115 15.896 1.00 0.00 C ATOM 1260 OD1 ASP A 79 -4.046 -1.640 15.704 1.00 0.00 O ATOM 1261 OD2 ASP A 79 -2.341 -1.195 16.943 1.00 0.00 O ATOM 0 H ASP A 79 -1.789 -2.299 13.216 1.00 0.00 H new ATOM 0 HA ASP A 79 -4.160 -0.546 13.607 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.288 -0.540 14.655 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.416 0.763 14.974 1.00 0.00 H new ATOM 1266 N ARG A 80 -1.759 -0.009 11.510 1.00 0.00 N ATOM 1267 CA ARG A 80 -1.294 0.930 10.444 1.00 0.00 C ATOM 1268 C ARG A 80 -2.013 0.644 9.129 1.00 0.00 C ATOM 1269 O ARG A 80 -2.594 -0.406 8.928 1.00 0.00 O ATOM 1270 CB ARG A 80 0.212 0.763 10.247 1.00 0.00 C ATOM 1271 CG ARG A 80 0.716 1.819 9.258 1.00 0.00 C ATOM 1272 CD ARG A 80 2.244 1.828 9.256 1.00 0.00 C ATOM 1273 NE ARG A 80 2.736 2.790 8.227 1.00 0.00 N ATOM 1274 CZ ARG A 80 4.001 3.111 8.174 1.00 0.00 C ATOM 1275 NH1 ARG A 80 4.849 2.604 9.029 1.00 0.00 N ATOM 1276 NH2 ARG A 80 4.421 3.935 7.254 1.00 0.00 N ATOM 0 H ARG A 80 -1.321 -0.930 11.497 1.00 0.00 H new ATOM 0 HA ARG A 80 -1.519 1.952 10.751 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.728 0.867 11.201 1.00 0.00 H new ATOM 0 HB3 ARG A 80 0.432 -0.237 9.872 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.342 1.603 8.257 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.336 2.802 9.535 1.00 0.00 H new ATOM 0 HD2 ARG A 80 2.618 2.110 10.240 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.624 0.828 9.045 1.00 0.00 H new ATOM 0 HE ARG A 80 2.081 3.199 7.561 1.00 0.00 H new ATOM 0 HH11 ARG A 80 4.525 1.953 9.744 1.00 0.00 H new ATOM 0 HH12 ARG A 80 5.835 2.859 8.981 1.00 0.00 H new ATOM 0 HH21 ARG A 80 3.762 4.326 6.580 1.00 0.00 H new ATOM 0 HH22 ARG A 80 5.408 4.189 7.209 1.00 0.00 H new ATOM 1290 N PHE A 81 -1.973 1.582 8.224 1.00 0.00 N ATOM 1291 CA PHE A 81 -2.638 1.394 6.904 1.00 0.00 C ATOM 1292 C PHE A 81 -1.586 1.027 5.858 1.00 0.00 C ATOM 1293 O PHE A 81 -0.434 1.408 5.953 1.00 0.00 O ATOM 1294 CB PHE A 81 -3.332 2.694 6.501 1.00 0.00 C ATOM 1295 CG PHE A 81 -4.547 2.901 7.377 1.00 0.00 C ATOM 1296 CD1 PHE A 81 -5.774 2.326 7.022 1.00 0.00 C ATOM 1297 CD2 PHE A 81 -4.444 3.666 8.543 1.00 0.00 C ATOM 1298 CE1 PHE A 81 -6.898 2.518 7.836 1.00 0.00 C ATOM 1299 CE2 PHE A 81 -5.568 3.858 9.357 1.00 0.00 C ATOM 1300 CZ PHE A 81 -6.795 3.284 9.003 1.00 0.00 C ATOM 0 H PHE A 81 -1.503 2.480 8.344 1.00 0.00 H new ATOM 0 HA PHE A 81 -3.376 0.595 6.972 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.646 3.534 6.606 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.627 2.653 5.453 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.853 1.735 6.121 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -3.498 4.109 8.816 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -7.844 2.075 7.563 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -5.488 4.449 10.258 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.662 3.432 9.630 1.00 0.00 H new ATOM 1310 N GLN A 82 -1.968 0.275 4.857 1.00 0.00 N ATOM 1311 CA GLN A 82 -0.985 -0.130 3.802 1.00 0.00 C ATOM 1312 C GLN A 82 -1.677 -0.158 2.441 1.00 0.00 C ATOM 1313 O GLN A 82 -2.851 -0.448 2.329 1.00 0.00 O ATOM 1314 CB GLN A 82 -0.434 -1.526 4.130 1.00 0.00 C ATOM 1315 CG GLN A 82 0.675 -1.902 3.135 1.00 0.00 C ATOM 1316 CD GLN A 82 1.164 -3.333 3.402 1.00 0.00 C ATOM 1317 OE1 GLN A 82 0.415 -4.279 3.265 1.00 0.00 O ATOM 1318 NE2 GLN A 82 2.401 -3.532 3.776 1.00 0.00 N ATOM 0 H GLN A 82 -2.916 -0.076 4.723 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.165 0.587 3.773 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -0.042 -1.541 5.147 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.237 -2.262 4.087 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.300 -1.822 2.115 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.507 -1.203 3.225 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.033 -2.739 3.892 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.734 -4.480 3.952 1.00 0.00 H new ATOM 1327 N VAL A 83 -0.948 0.145 1.398 1.00 0.00 N ATOM 1328 CA VAL A 83 -1.548 0.143 0.029 1.00 0.00 C ATOM 1329 C VAL A 83 -1.232 -1.182 -0.656 1.00 0.00 C ATOM 1330 O VAL A 83 -0.088 -1.582 -0.761 1.00 0.00 O ATOM 1331 CB VAL A 83 -0.959 1.290 -0.794 1.00 0.00 C ATOM 1332 CG1 VAL A 83 -1.746 1.430 -2.095 1.00 0.00 C ATOM 1333 CG2 VAL A 83 -1.050 2.596 -0.001 1.00 0.00 C ATOM 0 H VAL A 83 0.040 0.395 1.435 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.628 0.271 0.107 1.00 0.00 H new ATOM 0 HB VAL A 83 0.087 1.077 -1.016 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.330 2.246 -2.686 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.680 0.501 -2.662 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.791 1.642 -1.867 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.629 3.410 -0.591 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.094 2.813 0.224 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.491 2.496 0.930 1.00 0.00 H new ATOM 1343 N GLN A 84 -2.241 -1.874 -1.120 1.00 0.00 N ATOM 1344 CA GLN A 84 -2.012 -3.186 -1.798 1.00 0.00 C ATOM 1345 C GLN A 84 -2.199 -3.023 -3.301 1.00 0.00 C ATOM 1346 O GLN A 84 -3.228 -2.577 -3.768 1.00 0.00 O ATOM 1347 CB GLN A 84 -3.014 -4.211 -1.271 1.00 0.00 C ATOM 1348 CG GLN A 84 -2.715 -4.510 0.199 1.00 0.00 C ATOM 1349 CD GLN A 84 -3.750 -5.499 0.739 1.00 0.00 C ATOM 1350 OE1 GLN A 84 -4.573 -5.999 -0.001 1.00 0.00 O ATOM 1351 NE2 GLN A 84 -3.743 -5.806 2.008 1.00 0.00 N ATOM 0 H GLN A 84 -3.217 -1.586 -1.058 1.00 0.00 H new ATOM 0 HA GLN A 84 -0.997 -3.528 -1.593 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -4.030 -3.829 -1.376 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -2.956 -5.127 -1.858 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -1.712 -4.925 0.300 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.739 -3.589 0.781 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -3.052 -5.387 2.630 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -4.428 -6.465 2.377 1.00 0.00 H new ATOM 1360 N VAL A 85 -1.205 -3.386 -4.064 1.00 0.00 N ATOM 1361 CA VAL A 85 -1.303 -3.268 -5.546 1.00 0.00 C ATOM 1362 C VAL A 85 -1.643 -4.635 -6.128 1.00 0.00 C ATOM 1363 O VAL A 85 -1.074 -5.645 -5.750 1.00 0.00 O ATOM 1364 CB VAL A 85 0.027 -2.783 -6.111 1.00 0.00 C ATOM 1365 CG1 VAL A 85 -0.144 -2.455 -7.594 1.00 0.00 C ATOM 1366 CG2 VAL A 85 0.466 -1.525 -5.358 1.00 0.00 C ATOM 0 H VAL A 85 -0.321 -3.763 -3.721 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.081 -2.552 -5.810 1.00 0.00 H new ATOM 0 HB VAL A 85 0.782 -3.561 -5.995 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.805 -2.108 -8.002 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.464 -3.349 -8.130 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.896 -1.674 -7.710 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.417 -1.174 -5.759 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.288 -0.747 -5.479 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.582 -1.757 -4.299 1.00 0.00 H new ATOM 1376 N ASN A 86 -2.580 -4.682 -7.044 1.00 0.00 N ATOM 1377 CA ASN A 86 -2.980 -5.985 -7.656 1.00 0.00 C ATOM 1378 C ASN A 86 -3.032 -5.855 -9.179 1.00 0.00 C ATOM 1379 O ASN A 86 -2.562 -4.895 -9.758 1.00 0.00 O ATOM 1380 CB ASN A 86 -4.371 -6.378 -7.150 1.00 0.00 C ATOM 1381 CG ASN A 86 -4.325 -6.646 -5.644 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -3.576 -7.486 -5.186 1.00 0.00 O ATOM 1383 ND2 ASN A 86 -5.104 -5.963 -4.848 1.00 0.00 N ATOM 0 H ASN A 86 -3.086 -3.869 -7.395 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.249 -6.744 -7.379 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -5.083 -5.581 -7.364 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.720 -7.267 -7.675 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -5.083 -6.135 -3.843 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -5.733 -5.258 -5.232 1.00 0.00 H new ATOM 1390 N LYS A 87 -3.611 -6.829 -9.826 1.00 0.00 N ATOM 1391 CA LYS A 87 -3.719 -6.810 -11.314 1.00 0.00 C ATOM 1392 C LYS A 87 -4.587 -5.627 -11.761 1.00 0.00 C ATOM 1393 O LYS A 87 -4.284 -4.952 -12.724 1.00 0.00 O ATOM 1394 CB LYS A 87 -4.362 -8.122 -11.777 1.00 0.00 C ATOM 1395 CG LYS A 87 -4.375 -8.183 -13.307 1.00 0.00 C ATOM 1396 CD LYS A 87 -4.955 -9.526 -13.765 1.00 0.00 C ATOM 1397 CE LYS A 87 -4.953 -9.586 -15.296 1.00 0.00 C ATOM 1398 NZ LYS A 87 -5.512 -10.893 -15.748 1.00 0.00 N ATOM 0 H LYS A 87 -4.020 -7.650 -9.380 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.727 -6.704 -11.753 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.808 -8.970 -11.375 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.379 -8.194 -11.393 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.970 -7.363 -13.708 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.363 -8.062 -13.694 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.366 -10.347 -13.357 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -5.970 -9.644 -13.387 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.545 -8.766 -15.703 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.938 -9.464 -15.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.509 -10.931 -16.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.930 -11.668 -15.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.487 -10.992 -15.400 1.00 0.00 H new ATOM 1412 N ASN A 88 -5.665 -5.376 -11.073 1.00 0.00 N ATOM 1413 CA ASN A 88 -6.558 -4.244 -11.463 1.00 0.00 C ATOM 1414 C ASN A 88 -5.813 -2.917 -11.286 1.00 0.00 C ATOM 1415 O ASN A 88 -6.149 -1.920 -11.893 1.00 0.00 O ATOM 1416 CB ASN A 88 -7.802 -4.254 -10.570 1.00 0.00 C ATOM 1417 CG ASN A 88 -8.757 -3.133 -10.994 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -8.913 -2.862 -12.168 1.00 0.00 O ATOM 1419 ND2 ASN A 88 -9.407 -2.465 -10.079 1.00 0.00 N ATOM 0 H ASN A 88 -5.969 -5.905 -10.256 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.853 -4.355 -12.506 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.305 -5.219 -10.642 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -7.513 -4.122 -9.527 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -10.045 -1.717 -10.350 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -9.277 -2.692 -9.093 1.00 0.00 H new ATOM 1426 N SER A 89 -4.806 -2.896 -10.456 1.00 0.00 N ATOM 1427 CA SER A 89 -4.046 -1.632 -10.235 1.00 0.00 C ATOM 1428 C SER A 89 -3.045 -1.411 -11.369 1.00 0.00 C ATOM 1429 O SER A 89 -2.736 -2.308 -12.131 1.00 0.00 O ATOM 1430 CB SER A 89 -3.305 -1.703 -8.905 1.00 0.00 C ATOM 1431 OG SER A 89 -4.250 -1.769 -7.847 1.00 0.00 O ATOM 0 H SER A 89 -4.476 -3.699 -9.921 1.00 0.00 H new ATOM 0 HA SER A 89 -4.748 -0.798 -10.216 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.655 -2.578 -8.883 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.666 -0.828 -8.784 1.00 0.00 H new ATOM 0 HG SER A 89 -5.056 -1.271 -8.097 1.00 0.00 H new ATOM 1437 N SER A 90 -2.540 -0.210 -11.492 1.00 0.00 N ATOM 1438 CA SER A 90 -1.564 0.094 -12.579 1.00 0.00 C ATOM 1439 C SER A 90 -0.502 1.054 -12.058 1.00 0.00 C ATOM 1440 O SER A 90 -0.682 1.727 -11.056 1.00 0.00 O ATOM 1441 CB SER A 90 -2.296 0.734 -13.754 1.00 0.00 C ATOM 1442 OG SER A 90 -2.465 2.120 -13.501 1.00 0.00 O ATOM 0 H SER A 90 -2.764 0.577 -10.882 1.00 0.00 H new ATOM 0 HA SER A 90 -1.087 -0.830 -12.907 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.730 0.587 -14.674 1.00 0.00 H new ATOM 0 HB3 SER A 90 -3.266 0.257 -13.897 1.00 0.00 H new ATOM 0 HG SER A 90 -2.934 2.535 -14.255 1.00 0.00 H new ATOM 1448 N ILE A 91 0.611 1.143 -12.744 1.00 0.00 N ATOM 1449 CA ILE A 91 1.696 2.066 -12.308 1.00 0.00 C ATOM 1450 C ILE A 91 2.343 2.718 -13.528 1.00 0.00 C ATOM 1451 O ILE A 91 2.667 2.061 -14.497 1.00 0.00 O ATOM 1452 CB ILE A 91 2.757 1.276 -11.542 1.00 0.00 C ATOM 1453 CG1 ILE A 91 2.129 0.674 -10.280 1.00 0.00 C ATOM 1454 CG2 ILE A 91 3.905 2.212 -11.150 1.00 0.00 C ATOM 1455 CD1 ILE A 91 3.163 -0.180 -9.542 1.00 0.00 C ATOM 0 H ILE A 91 0.812 0.612 -13.591 1.00 0.00 H new ATOM 0 HA ILE A 91 1.272 2.838 -11.666 1.00 0.00 H new ATOM 0 HB ILE A 91 3.143 0.475 -12.172 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.768 1.469 -9.628 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.265 0.065 -10.548 1.00 0.00 H new ATOM 0 HG21 ILE A 91 4.662 1.650 -10.604 1.00 0.00 H new ATOM 0 HG22 ILE A 91 4.349 2.640 -12.049 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.522 3.013 -10.518 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.711 -0.605 -8.646 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.502 -0.985 -10.194 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.013 0.441 -9.260 1.00 0.00 H new ATOM 1467 N GLU A 92 2.551 4.012 -13.481 1.00 0.00 N ATOM 1468 CA GLU A 92 3.196 4.721 -14.630 1.00 0.00 C ATOM 1469 C GLU A 92 4.333 5.602 -14.108 1.00 0.00 C ATOM 1470 O GLU A 92 4.195 6.304 -13.126 1.00 0.00 O ATOM 1471 CB GLU A 92 2.160 5.597 -15.343 1.00 0.00 C ATOM 1472 CG GLU A 92 1.011 4.730 -15.862 1.00 0.00 C ATOM 1473 CD GLU A 92 1.512 3.819 -16.987 1.00 0.00 C ATOM 1474 OE1 GLU A 92 2.634 4.009 -17.426 1.00 0.00 O ATOM 1475 OE2 GLU A 92 0.767 2.939 -17.385 1.00 0.00 O ATOM 0 H GLU A 92 2.301 4.609 -12.693 1.00 0.00 H new ATOM 0 HA GLU A 92 3.593 3.987 -15.332 1.00 0.00 H new ATOM 0 HB2 GLU A 92 1.776 6.352 -14.657 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.629 6.128 -16.171 1.00 0.00 H new ATOM 0 HG2 GLU A 92 0.602 4.129 -15.050 1.00 0.00 H new ATOM 0 HG3 GLU A 92 0.203 5.363 -16.228 1.00 0.00 H new ATOM 1482 N LYS A 93 5.456 5.566 -14.769 1.00 0.00 N ATOM 1483 CA LYS A 93 6.617 6.394 -14.337 1.00 0.00 C ATOM 1484 C LYS A 93 6.333 7.867 -14.629 1.00 0.00 C ATOM 1485 O LYS A 93 5.834 8.222 -15.681 1.00 0.00 O ATOM 1486 CB LYS A 93 7.862 5.941 -15.102 1.00 0.00 C ATOM 1487 CG LYS A 93 9.093 6.687 -14.582 1.00 0.00 C ATOM 1488 CD LYS A 93 10.320 6.294 -15.414 1.00 0.00 C ATOM 1489 CE LYS A 93 10.760 4.868 -15.063 1.00 0.00 C ATOM 1490 NZ LYS A 93 12.143 4.636 -15.564 1.00 0.00 N ATOM 0 H LYS A 93 5.621 4.994 -15.597 1.00 0.00 H new ATOM 0 HA LYS A 93 6.782 6.272 -13.267 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.001 4.866 -14.984 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.734 6.131 -16.168 1.00 0.00 H new ATOM 0 HG2 LYS A 93 8.931 7.763 -14.640 1.00 0.00 H new ATOM 0 HG3 LYS A 93 9.260 6.446 -13.532 1.00 0.00 H new ATOM 0 HD2 LYS A 93 10.085 6.359 -16.476 1.00 0.00 H new ATOM 0 HD3 LYS A 93 11.136 6.992 -15.225 1.00 0.00 H new ATOM 0 HE2 LYS A 93 10.724 4.720 -13.984 1.00 0.00 H new ATOM 0 HE3 LYS A 93 10.075 4.145 -15.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 12.441 3.669 -15.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 12.164 4.760 -16.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 12.792 5.317 -15.120 1.00 0.00 H new ATOM 1504 N LEU A 94 6.648 8.729 -13.698 1.00 0.00 N ATOM 1505 CA LEU A 94 6.401 10.187 -13.902 1.00 0.00 C ATOM 1506 C LEU A 94 7.647 10.853 -14.489 1.00 0.00 C ATOM 1507 O LEU A 94 8.760 10.596 -14.078 1.00 0.00 O ATOM 1508 CB LEU A 94 6.061 10.829 -12.555 1.00 0.00 C ATOM 1509 CG LEU A 94 4.713 10.292 -12.056 1.00 0.00 C ATOM 1510 CD1 LEU A 94 4.465 10.782 -10.627 1.00 0.00 C ATOM 1511 CD2 LEU A 94 3.576 10.784 -12.974 1.00 0.00 C ATOM 0 H LEU A 94 7.068 8.485 -12.801 1.00 0.00 H new ATOM 0 HA LEU A 94 5.571 10.321 -14.596 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.843 10.610 -11.828 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.017 11.913 -12.658 1.00 0.00 H new ATOM 0 HG LEU A 94 4.736 9.202 -12.070 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.507 10.401 -10.273 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.262 10.423 -9.976 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.449 11.872 -10.614 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.623 10.398 -12.612 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.551 11.874 -12.970 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.749 10.429 -13.990 1.00 0.00 H new ATOM 1523 N SER A 95 7.457 11.704 -15.461 1.00 0.00 N ATOM 1524 CA SER A 95 8.610 12.397 -16.101 1.00 0.00 C ATOM 1525 C SER A 95 9.136 13.487 -15.174 1.00 0.00 C ATOM 1526 O SER A 95 10.171 14.077 -15.425 1.00 0.00 O ATOM 1527 CB SER A 95 8.134 13.030 -17.410 1.00 0.00 C ATOM 1528 OG SER A 95 9.229 13.658 -18.061 1.00 0.00 O ATOM 0 H SER A 95 6.543 11.950 -15.842 1.00 0.00 H new ATOM 0 HA SER A 95 9.408 11.681 -16.297 1.00 0.00 H new ATOM 0 HB2 SER A 95 7.701 12.268 -18.058 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.350 13.760 -17.209 1.00 0.00 H new ATOM 0 HG SER A 95 9.923 13.870 -17.402 1.00 0.00 H new ATOM 1534 N GLU A 96 8.427 13.766 -14.107 1.00 0.00 N ATOM 1535 CA GLU A 96 8.874 14.827 -13.163 1.00 0.00 C ATOM 1536 C GLU A 96 9.122 14.216 -11.773 1.00 0.00 C ATOM 1537 O GLU A 96 8.339 13.411 -11.299 1.00 0.00 O ATOM 1538 CB GLU A 96 7.795 15.901 -13.051 1.00 0.00 C ATOM 1539 CG GLU A 96 6.512 15.285 -12.477 1.00 0.00 C ATOM 1540 CD GLU A 96 6.575 15.297 -10.948 1.00 0.00 C ATOM 1541 OE1 GLU A 96 6.916 16.332 -10.397 1.00 0.00 O ATOM 1542 OE2 GLU A 96 6.292 14.270 -10.354 1.00 0.00 O ATOM 0 H GLU A 96 7.556 13.301 -13.852 1.00 0.00 H new ATOM 0 HA GLU A 96 9.797 15.270 -13.537 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.140 16.712 -12.409 1.00 0.00 H new ATOM 0 HB3 GLU A 96 7.595 16.334 -14.031 1.00 0.00 H new ATOM 0 HG2 GLU A 96 5.643 15.846 -12.819 1.00 0.00 H new ATOM 0 HG3 GLU A 96 6.394 14.263 -12.838 1.00 0.00 H new ATOM 1549 N PRO A 97 10.192 14.599 -11.120 1.00 0.00 N ATOM 1550 CA PRO A 97 10.528 14.093 -9.762 1.00 0.00 C ATOM 1551 C PRO A 97 9.662 14.734 -8.676 1.00 0.00 C ATOM 1552 O PRO A 97 9.099 15.794 -8.862 1.00 0.00 O ATOM 1553 CB PRO A 97 12.000 14.479 -9.589 1.00 0.00 C ATOM 1554 CG PRO A 97 12.190 15.690 -10.447 1.00 0.00 C ATOM 1555 CD PRO A 97 11.200 15.558 -11.603 1.00 0.00 C ATOM 0 HA PRO A 97 10.349 13.022 -9.667 1.00 0.00 H new ATOM 0 HB2 PRO A 97 12.231 14.695 -8.546 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.659 13.668 -9.900 1.00 0.00 H new ATOM 0 HG2 PRO A 97 12.005 16.602 -9.879 1.00 0.00 H new ATOM 0 HG3 PRO A 97 13.214 15.747 -10.817 1.00 0.00 H new ATOM 0 HD2 PRO A 97 10.748 16.519 -11.849 1.00 0.00 H new ATOM 0 HD3 PRO A 97 11.691 15.196 -12.506 1.00 0.00 H new ATOM 1563 N ILE A 98 9.562 14.095 -7.539 1.00 0.00 N ATOM 1564 CA ILE A 98 8.738 14.652 -6.421 1.00 0.00 C ATOM 1565 C ILE A 98 9.657 15.112 -5.296 1.00 0.00 C ATOM 1566 O ILE A 98 10.545 14.397 -4.869 1.00 0.00 O ATOM 1567 CB ILE A 98 7.790 13.573 -5.913 1.00 0.00 C ATOM 1568 CG1 ILE A 98 6.863 13.153 -7.054 1.00 0.00 C ATOM 1569 CG2 ILE A 98 6.960 14.130 -4.754 1.00 0.00 C ATOM 1570 CD1 ILE A 98 6.080 11.905 -6.647 1.00 0.00 C ATOM 0 H ILE A 98 10.018 13.206 -7.334 1.00 0.00 H new ATOM 0 HA ILE A 98 8.157 15.503 -6.776 1.00 0.00 H new ATOM 0 HB ILE A 98 8.359 12.711 -5.564 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.175 13.964 -7.294 1.00 0.00 H new ATOM 0 HG13 ILE A 98 7.445 12.952 -7.953 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.281 13.359 -4.389 1.00 0.00 H new ATOM 0 HG22 ILE A 98 7.624 14.440 -3.947 1.00 0.00 H new ATOM 0 HG23 ILE A 98 6.383 14.988 -5.099 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.420 11.608 -7.462 1.00 0.00 H new ATOM 0 HD12 ILE A 98 6.775 11.094 -6.429 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.486 12.122 -5.759 1.00 0.00 H new ATOM 1582 N GLU A 99 9.450 16.308 -4.803 1.00 0.00 N ATOM 1583 CA GLU A 99 10.308 16.831 -3.699 1.00 0.00 C ATOM 1584 C GLU A 99 9.573 16.705 -2.366 1.00 0.00 C ATOM 1585 O GLU A 99 8.488 17.224 -2.178 1.00 0.00 O ATOM 1586 CB GLU A 99 10.647 18.303 -3.966 1.00 0.00 C ATOM 1587 CG GLU A 99 11.583 18.413 -5.178 1.00 0.00 C ATOM 1588 CD GLU A 99 11.851 19.889 -5.491 1.00 0.00 C ATOM 1589 OE1 GLU A 99 11.378 20.729 -4.744 1.00 0.00 O ATOM 1590 OE2 GLU A 99 12.525 20.153 -6.475 1.00 0.00 O ATOM 0 H GLU A 99 8.720 16.946 -5.120 1.00 0.00 H new ATOM 0 HA GLU A 99 11.229 16.250 -3.654 1.00 0.00 H new ATOM 0 HB2 GLU A 99 9.733 18.868 -4.149 1.00 0.00 H new ATOM 0 HB3 GLU A 99 11.122 18.741 -3.088 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.522 17.899 -4.973 1.00 0.00 H new ATOM 0 HG3 GLU A 99 11.134 17.924 -6.042 1.00 0.00 H new