USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 696 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 44 THR OG1 : rot 40:sc= 1.05 USER MOD Set 1.2: A 47 SER OG : rot 136:sc= 1.23 USER MOD Single : A 3 GLN : amide:sc=-0.00914 X(o=-0.0091,f=-0.0091) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= -1.29 USER MOD Single : A 9 ASN :FLIP amide:sc= 0.666 F(o=0,f=0.67) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 173:sc= -0.923! USER MOD Single : A 41 ASN : amide:sc= 0.423 X(o=0.42,f=-0.029) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -91:sc= 0.0403 USER MOD Single : A 60 SER OG : rot 180:sc= 0.0496 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.708 K(o=-0.71,f=-4.7!) USER MOD Single : A 89 SER OG : rot 180:sc= 0.0148 USER MOD Single : A 90 LYS NZ :NH3+ 160:sc= -0.0068 (180deg=-0.522) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 MET CE :methyl -111:sc= -1.59 (180deg=-4.57!) USER MOD Single : A 95 ASN :FLIP amide:sc= -0.499 F(o=-3.1!,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 31 N GLN A 3 -6.333 6.444 -14.967 1.00 0.00 N ATOM 32 CA GLN A 3 -6.767 5.169 -14.322 1.00 0.00 C ATOM 33 C GLN A 3 -6.991 5.382 -12.816 1.00 0.00 C ATOM 34 O GLN A 3 -6.636 4.542 -12.011 1.00 0.00 O ATOM 35 CB GLN A 3 -5.614 4.190 -14.558 1.00 0.00 C ATOM 36 CG GLN A 3 -5.440 3.959 -16.060 1.00 0.00 C ATOM 37 CD GLN A 3 -6.568 3.057 -16.574 1.00 0.00 C ATOM 38 OE1 GLN A 3 -6.611 1.885 -16.254 1.00 0.00 O ATOM 39 NE2 GLN A 3 -7.493 3.549 -17.362 1.00 0.00 N ATOM 0 HA GLN A 3 -7.706 4.800 -14.734 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -4.693 4.587 -14.131 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -5.817 3.245 -14.055 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -5.453 4.912 -16.589 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -4.473 3.498 -16.258 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -7.462 4.532 -17.634 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -8.244 2.949 -17.703 1.00 0.00 H new ATOM 48 N GLU A 4 -7.579 6.498 -12.424 1.00 0.00 N ATOM 49 CA GLU A 4 -7.816 6.739 -10.952 1.00 0.00 C ATOM 50 C GLU A 4 -8.661 5.602 -10.351 1.00 0.00 C ATOM 51 O GLU A 4 -8.453 5.213 -9.217 1.00 0.00 O ATOM 52 CB GLU A 4 -8.548 8.093 -10.826 1.00 0.00 C ATOM 53 CG GLU A 4 -9.930 8.022 -11.492 1.00 0.00 C ATOM 54 CD GLU A 4 -10.668 9.345 -11.272 1.00 0.00 C ATOM 55 OE1 GLU A 4 -10.183 10.357 -11.748 1.00 0.00 O ATOM 56 OE2 GLU A 4 -11.707 9.321 -10.633 1.00 0.00 O ATOM 0 H GLU A 4 -7.900 7.240 -13.046 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.873 6.763 -10.405 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -8.658 8.357 -9.774 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.954 8.879 -11.292 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.822 7.826 -12.559 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -10.506 7.197 -11.073 1.00 0.00 H new ATOM 63 N GLN A 5 -9.607 5.057 -11.095 1.00 0.00 N ATOM 64 CA GLN A 5 -10.445 3.932 -10.530 1.00 0.00 C ATOM 65 C GLN A 5 -9.529 2.802 -10.025 1.00 0.00 C ATOM 66 O GLN A 5 -9.782 2.212 -8.992 1.00 0.00 O ATOM 67 CB GLN A 5 -11.375 3.437 -11.658 1.00 0.00 C ATOM 68 CG GLN A 5 -10.556 2.847 -12.813 1.00 0.00 C ATOM 69 CD GLN A 5 -11.447 2.715 -14.055 1.00 0.00 C ATOM 70 OE1 GLN A 5 -11.750 3.698 -14.702 1.00 0.00 O ATOM 71 NE2 GLN A 5 -11.886 1.535 -14.423 1.00 0.00 N ATOM 0 H GLN A 5 -9.833 5.334 -12.050 1.00 0.00 H new ATOM 0 HA GLN A 5 -11.041 4.271 -9.683 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -12.059 2.683 -11.268 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.985 4.263 -12.023 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.701 3.487 -13.031 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -10.160 1.872 -12.531 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.635 0.706 -13.884 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -12.479 1.446 -15.248 1.00 0.00 H new ATOM 80 N TYR A 6 -8.443 2.527 -10.720 1.00 0.00 N ATOM 81 CA TYR A 6 -7.498 1.467 -10.229 1.00 0.00 C ATOM 82 C TYR A 6 -6.695 2.045 -9.054 1.00 0.00 C ATOM 83 O TYR A 6 -6.436 1.365 -8.080 1.00 0.00 O ATOM 84 CB TYR A 6 -6.561 1.124 -11.398 1.00 0.00 C ATOM 85 CG TYR A 6 -7.245 0.155 -12.332 1.00 0.00 C ATOM 86 CD1 TYR A 6 -8.160 0.626 -13.281 1.00 0.00 C ATOM 87 CD2 TYR A 6 -6.964 -1.214 -12.250 1.00 0.00 C ATOM 88 CE1 TYR A 6 -8.794 -0.272 -14.149 1.00 0.00 C ATOM 89 CE2 TYR A 6 -7.598 -2.112 -13.118 1.00 0.00 C ATOM 90 CZ TYR A 6 -8.513 -1.640 -14.067 1.00 0.00 C ATOM 91 OH TYR A 6 -9.138 -2.525 -14.922 1.00 0.00 O ATOM 0 H TYR A 6 -8.174 2.983 -11.592 1.00 0.00 H new ATOM 0 HA TYR A 6 -8.023 0.573 -9.893 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -6.288 2.032 -11.936 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.636 0.688 -11.020 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -8.377 1.682 -13.344 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -6.258 -1.578 -11.518 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -9.500 0.092 -14.881 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -7.381 -3.168 -13.055 1.00 0.00 H new ATOM 0 HH TYR A 6 -8.830 -3.436 -14.733 1.00 0.00 H new ATOM 101 N THR A 7 -6.311 3.307 -9.134 1.00 0.00 N ATOM 102 CA THR A 7 -5.537 3.929 -8.004 1.00 0.00 C ATOM 103 C THR A 7 -6.412 3.983 -6.745 1.00 0.00 C ATOM 104 O THR A 7 -5.942 3.723 -5.652 1.00 0.00 O ATOM 105 CB THR A 7 -5.169 5.355 -8.463 1.00 0.00 C ATOM 106 OG1 THR A 7 -4.366 5.279 -9.632 1.00 0.00 O ATOM 107 CG2 THR A 7 -4.401 6.096 -7.364 1.00 0.00 C ATOM 0 H THR A 7 -6.499 3.924 -9.924 1.00 0.00 H new ATOM 0 HA THR A 7 -4.644 3.353 -7.763 1.00 0.00 H new ATOM 0 HB THR A 7 -6.087 5.903 -8.676 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.132 6.184 -9.927 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.151 7.100 -7.708 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.020 6.163 -6.469 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.485 5.554 -7.131 1.00 0.00 H new ATOM 115 N GLU A 8 -7.680 4.316 -6.882 1.00 0.00 N ATOM 116 CA GLU A 8 -8.562 4.376 -5.663 1.00 0.00 C ATOM 117 C GLU A 8 -8.744 2.968 -5.089 1.00 0.00 C ATOM 118 O GLU A 8 -8.704 2.780 -3.886 1.00 0.00 O ATOM 119 CB GLU A 8 -9.914 4.954 -6.114 1.00 0.00 C ATOM 120 CG GLU A 8 -9.782 6.465 -6.312 1.00 0.00 C ATOM 121 CD GLU A 8 -11.062 7.010 -6.950 1.00 0.00 C ATOM 122 OE1 GLU A 8 -12.128 6.716 -6.437 1.00 0.00 O ATOM 123 OE2 GLU A 8 -10.953 7.713 -7.942 1.00 0.00 O ATOM 0 H GLU A 8 -8.135 4.545 -7.766 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.121 5.000 -4.885 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.232 4.481 -7.043 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.680 4.740 -5.369 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.604 6.954 -5.354 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.924 6.686 -6.947 1.00 0.00 H new ATOM 130 N ASN A 9 -8.919 1.973 -5.931 1.00 0.00 N ATOM 131 CA ASN A 9 -9.072 0.575 -5.400 1.00 0.00 C ATOM 132 C ASN A 9 -7.699 0.061 -4.953 1.00 0.00 C ATOM 133 O ASN A 9 -7.578 -0.567 -3.918 1.00 0.00 O ATOM 134 CB ASN A 9 -9.628 -0.283 -6.545 1.00 0.00 C ATOM 135 CG ASN A 9 -11.143 -0.068 -6.658 1.00 0.00 C ATOM 136 OD1 ASN A 9 -11.969 -0.976 -6.195 1.00 0.00 O flip ATOM 137 ND2 ASN A 9 -11.583 0.939 -7.173 1.00 0.00 N flip ATOM 0 H ASN A 9 -8.962 2.064 -6.946 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.746 0.537 -4.544 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -9.141 -0.016 -7.483 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.412 -1.336 -6.362 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -10.945 1.648 -7.534 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -12.591 1.077 -7.244 1.00 0.00 H new ATOM 144 N LEU A 10 -6.658 0.343 -5.709 1.00 0.00 N ATOM 145 CA LEU A 10 -5.292 -0.119 -5.286 1.00 0.00 C ATOM 146 C LEU A 10 -4.875 0.624 -4.009 1.00 0.00 C ATOM 147 O LEU A 10 -4.244 0.055 -3.139 1.00 0.00 O ATOM 148 CB LEU A 10 -4.327 0.212 -6.437 1.00 0.00 C ATOM 149 CG LEU A 10 -2.925 -0.298 -6.092 1.00 0.00 C ATOM 150 CD1 LEU A 10 -2.945 -1.826 -6.001 1.00 0.00 C ATOM 151 CD2 LEU A 10 -1.942 0.134 -7.183 1.00 0.00 C ATOM 0 H LEU A 10 -6.693 0.864 -6.585 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.281 -1.188 -5.076 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.676 -0.248 -7.361 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.302 1.288 -6.607 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.613 0.119 -5.135 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.947 -2.189 -5.755 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.645 -2.135 -5.225 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.258 -2.243 -6.958 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.944 -0.229 -6.938 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.255 -0.283 -8.140 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.927 1.222 -7.249 1.00 0.00 H new ATOM 163 N LYS A 11 -5.229 1.892 -3.877 1.00 0.00 N ATOM 164 CA LYS A 11 -4.843 2.644 -2.628 1.00 0.00 C ATOM 165 C LYS A 11 -5.409 1.940 -1.385 1.00 0.00 C ATOM 166 O LYS A 11 -4.780 1.930 -0.343 1.00 0.00 O ATOM 167 CB LYS A 11 -5.439 4.055 -2.755 1.00 0.00 C ATOM 168 CG LYS A 11 -4.995 4.907 -1.563 1.00 0.00 C ATOM 169 CD LYS A 11 -6.069 4.861 -0.473 1.00 0.00 C ATOM 170 CE LYS A 11 -5.813 5.973 0.546 1.00 0.00 C ATOM 171 NZ LYS A 11 -6.685 7.100 0.112 1.00 0.00 N ATOM 0 H LYS A 11 -5.757 2.428 -4.566 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.759 2.685 -2.519 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.113 4.517 -3.687 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.527 4.000 -2.791 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.048 4.537 -1.171 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.828 5.936 -1.880 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.057 4.981 -0.917 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.058 3.890 0.022 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.062 5.648 1.556 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.763 6.267 0.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.565 7.902 0.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.421 7.393 -0.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.679 6.793 0.120 1.00 0.00 H new ATOM 185 N VAL A 12 -6.583 1.342 -1.478 1.00 0.00 N ATOM 186 CA VAL A 12 -7.147 0.638 -0.273 1.00 0.00 C ATOM 187 C VAL A 12 -6.341 -0.640 0.000 1.00 0.00 C ATOM 188 O VAL A 12 -6.042 -0.953 1.138 1.00 0.00 O ATOM 189 CB VAL A 12 -8.611 0.295 -0.599 1.00 0.00 C ATOM 190 CG1 VAL A 12 -9.246 -0.435 0.588 1.00 0.00 C ATOM 191 CG2 VAL A 12 -9.387 1.584 -0.875 1.00 0.00 C ATOM 0 H VAL A 12 -7.162 1.311 -2.317 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.092 1.265 0.617 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.643 -0.347 -1.479 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.283 -0.677 0.354 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.695 -1.354 0.787 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.213 0.206 1.469 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.424 1.342 -1.106 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.352 2.226 0.005 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.939 2.104 -1.721 1.00 0.00 H new ATOM 201 N ILE A 13 -5.978 -1.374 -1.029 1.00 0.00 N ATOM 202 CA ILE A 13 -5.177 -2.626 -0.798 1.00 0.00 C ATOM 203 C ILE A 13 -3.770 -2.255 -0.304 1.00 0.00 C ATOM 204 O ILE A 13 -3.228 -2.911 0.567 1.00 0.00 O ATOM 205 CB ILE A 13 -5.107 -3.368 -2.144 1.00 0.00 C ATOM 206 CG1 ILE A 13 -6.530 -3.702 -2.610 1.00 0.00 C ATOM 207 CG2 ILE A 13 -4.310 -4.666 -1.980 1.00 0.00 C ATOM 208 CD1 ILE A 13 -6.615 -3.592 -4.136 1.00 0.00 C ATOM 0 H ILE A 13 -6.196 -1.167 -2.004 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.637 -3.260 -0.040 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.615 -2.734 -2.882 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.799 -4.710 -2.293 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.244 -3.021 -2.147 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.263 -5.188 -2.936 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.300 -4.433 -1.644 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.799 -5.303 -1.243 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.627 -3.830 -4.462 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.365 -2.576 -4.442 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.913 -4.291 -4.591 1.00 0.00 H new ATOM 220 N VAL A 14 -3.180 -1.200 -0.831 1.00 0.00 N ATOM 221 CA VAL A 14 -1.812 -0.800 -0.348 1.00 0.00 C ATOM 222 C VAL A 14 -1.934 -0.244 1.080 1.00 0.00 C ATOM 223 O VAL A 14 -1.124 -0.548 1.936 1.00 0.00 O ATOM 224 CB VAL A 14 -1.292 0.280 -1.315 1.00 0.00 C ATOM 225 CG1 VAL A 14 0.076 0.785 -0.847 1.00 0.00 C ATOM 226 CG2 VAL A 14 -1.152 -0.322 -2.716 1.00 0.00 C ATOM 0 H VAL A 14 -3.578 -0.609 -1.561 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.123 -1.644 -0.327 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.996 1.112 -1.335 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.437 1.549 -1.536 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.016 1.212 0.152 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.782 -0.045 -0.823 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.784 0.439 -3.404 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.449 -1.154 -2.686 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.123 -0.680 -3.057 1.00 0.00 H new ATOM 236 N ALA A 15 -2.949 0.556 1.353 1.00 0.00 N ATOM 237 CA ALA A 15 -3.109 1.102 2.748 1.00 0.00 C ATOM 238 C ALA A 15 -3.288 -0.058 3.744 1.00 0.00 C ATOM 239 O ALA A 15 -2.815 0.008 4.862 1.00 0.00 O ATOM 240 CB ALA A 15 -4.363 1.991 2.740 1.00 0.00 C ATOM 0 H ALA A 15 -3.660 0.849 0.683 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.231 1.673 3.050 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.519 2.410 3.734 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.231 2.800 2.022 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.230 1.394 2.458 1.00 0.00 H new ATOM 246 N GLU A 16 -3.959 -1.131 3.351 1.00 0.00 N ATOM 247 CA GLU A 16 -4.146 -2.294 4.298 1.00 0.00 C ATOM 248 C GLU A 16 -2.784 -2.749 4.851 1.00 0.00 C ATOM 249 O GLU A 16 -2.672 -3.099 6.012 1.00 0.00 O ATOM 250 CB GLU A 16 -4.787 -3.429 3.480 1.00 0.00 C ATOM 251 CG GLU A 16 -5.086 -4.618 4.395 1.00 0.00 C ATOM 252 CD GLU A 16 -4.896 -5.923 3.618 1.00 0.00 C ATOM 253 OE1 GLU A 16 -5.257 -5.952 2.452 1.00 0.00 O ATOM 254 OE2 GLU A 16 -4.395 -6.869 4.202 1.00 0.00 O ATOM 0 H GLU A 16 -4.379 -1.250 2.429 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.774 -2.015 5.144 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.706 -3.078 3.011 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.117 -3.735 2.677 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.425 -4.599 5.261 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.107 -4.552 4.772 1.00 0.00 H new ATOM 261 N LYS A 17 -1.747 -2.734 4.037 1.00 0.00 N ATOM 262 CA LYS A 17 -0.397 -3.158 4.548 1.00 0.00 C ATOM 263 C LYS A 17 0.211 -2.025 5.393 1.00 0.00 C ATOM 264 O LYS A 17 0.570 -2.231 6.535 1.00 0.00 O ATOM 265 CB LYS A 17 0.473 -3.438 3.314 1.00 0.00 C ATOM 266 CG LYS A 17 1.659 -4.324 3.709 1.00 0.00 C ATOM 267 CD LYS A 17 1.203 -5.786 3.825 1.00 0.00 C ATOM 268 CE LYS A 17 1.184 -6.211 5.297 1.00 0.00 C ATOM 269 NZ LYS A 17 0.370 -7.459 5.324 1.00 0.00 N ATOM 0 H LYS A 17 -1.775 -2.451 3.057 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.465 -4.045 5.178 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.120 -3.930 2.543 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.832 -2.500 2.890 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.451 -4.239 2.965 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.075 -3.987 4.658 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.210 -5.902 3.391 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.875 -6.432 3.260 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.193 -6.389 5.670 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.743 -5.438 5.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.310 -7.813 6.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.587 -7.257 4.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.818 -8.179 4.722 1.00 0.00 H new ATOM 283 N LEU A 18 0.317 -0.824 4.852 1.00 0.00 N ATOM 284 CA LEU A 18 0.893 0.317 5.659 1.00 0.00 C ATOM 285 C LEU A 18 0.088 0.492 6.956 1.00 0.00 C ATOM 286 O LEU A 18 0.649 0.621 8.028 1.00 0.00 O ATOM 287 CB LEU A 18 0.746 1.585 4.789 1.00 0.00 C ATOM 288 CG LEU A 18 1.997 1.870 3.923 1.00 0.00 C ATOM 289 CD1 LEU A 18 2.774 0.592 3.572 1.00 0.00 C ATOM 290 CD2 LEU A 18 1.537 2.537 2.626 1.00 0.00 C ATOM 0 H LEU A 18 0.035 -0.586 3.901 1.00 0.00 H new ATOM 0 HA LEU A 18 1.934 0.130 5.922 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.122 1.475 4.139 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.554 2.442 5.434 1.00 0.00 H new ATOM 0 HG LEU A 18 2.665 2.513 4.496 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.641 0.849 2.964 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.105 0.104 4.489 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.127 -0.085 3.014 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.403 2.748 1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.858 1.870 2.095 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.022 3.469 2.859 1.00 0.00 H new ATOM 302 N ALA A 19 -1.226 0.484 6.865 1.00 0.00 N ATOM 303 CA ALA A 19 -2.061 0.637 8.109 1.00 0.00 C ATOM 304 C ALA A 19 -1.890 -0.594 9.025 1.00 0.00 C ATOM 305 O ALA A 19 -2.076 -0.498 10.223 1.00 0.00 O ATOM 306 CB ALA A 19 -3.524 0.751 7.650 1.00 0.00 C ATOM 0 H ALA A 19 -1.751 0.380 5.997 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.756 1.517 8.676 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.171 0.864 8.520 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.635 1.619 7.000 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.805 -0.149 7.104 1.00 0.00 H new ATOM 312 N GLY A 20 -1.546 -1.753 8.480 1.00 0.00 N ATOM 313 CA GLY A 20 -1.381 -2.964 9.340 1.00 0.00 C ATOM 314 C GLY A 20 0.072 -3.077 9.838 1.00 0.00 C ATOM 315 O GLY A 20 0.309 -3.525 10.943 1.00 0.00 O ATOM 0 H GLY A 20 -1.376 -1.901 7.485 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.060 -2.909 10.191 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.649 -3.857 8.776 1.00 0.00 H new ATOM 319 N ILE A 21 1.050 -2.688 9.035 1.00 0.00 N ATOM 320 CA ILE A 21 2.492 -2.797 9.492 1.00 0.00 C ATOM 321 C ILE A 21 2.668 -2.148 10.884 1.00 0.00 C ATOM 322 O ILE A 21 2.135 -1.083 11.132 1.00 0.00 O ATOM 323 CB ILE A 21 3.337 -2.049 8.430 1.00 0.00 C ATOM 324 CG1 ILE A 21 3.372 -2.875 7.141 1.00 0.00 C ATOM 325 CG2 ILE A 21 4.776 -1.839 8.928 1.00 0.00 C ATOM 326 CD1 ILE A 21 3.623 -1.955 5.945 1.00 0.00 C ATOM 0 H ILE A 21 0.918 -2.306 8.099 1.00 0.00 H new ATOM 0 HA ILE A 21 2.803 -3.837 9.584 1.00 0.00 H new ATOM 0 HB ILE A 21 2.882 -1.076 8.246 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.156 -3.629 7.202 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.429 -3.406 7.012 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.351 -1.312 8.167 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.761 -1.249 9.845 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.237 -2.806 9.126 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.647 -2.546 5.030 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.823 -1.217 5.879 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.578 -1.445 6.073 1.00 0.00 H new ATOM 338 N PRO A 22 3.422 -2.799 11.749 1.00 0.00 N ATOM 339 CA PRO A 22 3.657 -2.240 13.100 1.00 0.00 C ATOM 340 C PRO A 22 4.620 -1.046 13.010 1.00 0.00 C ATOM 341 O PRO A 22 5.394 -0.938 12.078 1.00 0.00 O ATOM 342 CB PRO A 22 4.292 -3.394 13.869 1.00 0.00 C ATOM 343 CG PRO A 22 4.922 -4.256 12.824 1.00 0.00 C ATOM 344 CD PRO A 22 4.113 -4.089 11.564 1.00 0.00 C ATOM 0 HA PRO A 22 2.749 -1.873 13.579 1.00 0.00 H new ATOM 0 HB2 PRO A 22 5.033 -3.033 14.582 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.545 -3.947 14.439 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.959 -3.964 12.657 1.00 0.00 H new ATOM 0 HG3 PRO A 22 4.932 -5.299 13.140 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.750 -4.077 10.680 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.404 -4.906 11.434 1.00 0.00 H new ATOM 415 N ASP A 27 1.961 9.395 8.004 1.00 0.00 N ATOM 416 CA ASP A 27 1.634 9.499 6.542 1.00 0.00 C ATOM 417 C ASP A 27 1.175 8.140 5.975 1.00 0.00 C ATOM 418 O ASP A 27 1.466 7.814 4.841 1.00 0.00 O ATOM 419 CB ASP A 27 2.939 9.943 5.874 1.00 0.00 C ATOM 420 CG ASP A 27 3.257 11.382 6.283 1.00 0.00 C ATOM 421 OD1 ASP A 27 2.327 12.165 6.395 1.00 0.00 O ATOM 422 OD2 ASP A 27 4.426 11.678 6.475 1.00 0.00 O ATOM 0 HA ASP A 27 0.817 10.198 6.362 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.754 9.282 6.168 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.847 9.873 4.790 1.00 0.00 H new ATOM 427 N ILE A 28 0.462 7.343 6.751 1.00 0.00 N ATOM 428 CA ILE A 28 0.003 6.006 6.225 1.00 0.00 C ATOM 429 C ILE A 28 -0.872 6.209 4.974 1.00 0.00 C ATOM 430 O ILE A 28 -0.749 5.481 4.007 1.00 0.00 O ATOM 431 CB ILE A 28 -0.756 5.311 7.393 1.00 0.00 C ATOM 432 CG1 ILE A 28 -0.828 3.797 7.153 1.00 0.00 C ATOM 433 CG2 ILE A 28 -2.175 5.867 7.574 1.00 0.00 C ATOM 434 CD1 ILE A 28 -1.633 3.482 5.884 1.00 0.00 C ATOM 0 H ILE A 28 0.182 7.555 7.709 1.00 0.00 H new ATOM 0 HA ILE A 28 0.833 5.374 5.908 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.196 5.517 8.305 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.179 3.391 7.060 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.290 3.310 8.012 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.665 5.352 8.400 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.123 6.934 7.792 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.746 5.711 6.659 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.670 2.403 5.735 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.647 3.868 5.991 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.155 3.951 5.024 1.00 0.00 H new ATOM 446 N LYS A 29 -1.731 7.205 4.970 1.00 0.00 N ATOM 447 CA LYS A 29 -2.578 7.444 3.749 1.00 0.00 C ATOM 448 C LYS A 29 -1.699 8.027 2.632 1.00 0.00 C ATOM 449 O LYS A 29 -1.824 7.648 1.483 1.00 0.00 O ATOM 450 CB LYS A 29 -3.672 8.445 4.152 1.00 0.00 C ATOM 451 CG LYS A 29 -4.761 8.472 3.077 1.00 0.00 C ATOM 452 CD LYS A 29 -5.909 9.372 3.536 1.00 0.00 C ATOM 453 CE LYS A 29 -5.569 10.832 3.228 1.00 0.00 C ATOM 454 NZ LYS A 29 -6.242 11.117 1.930 1.00 0.00 N ATOM 0 H LYS A 29 -1.882 7.853 5.743 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.026 6.520 3.382 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.102 8.163 5.113 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.243 9.439 4.275 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.350 8.840 2.137 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.128 7.463 2.891 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.832 9.088 3.030 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.079 9.245 4.605 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.929 11.496 4.014 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.492 10.980 3.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.055 12.101 1.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.874 10.474 1.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.267 10.974 2.032 1.00 0.00 H new ATOM 468 N TYR A 30 -0.797 8.933 2.960 1.00 0.00 N ATOM 469 CA TYR A 30 0.097 9.509 1.895 1.00 0.00 C ATOM 470 C TYR A 30 1.050 8.421 1.371 1.00 0.00 C ATOM 471 O TYR A 30 1.351 8.378 0.192 1.00 0.00 O ATOM 472 CB TYR A 30 0.896 10.648 2.548 1.00 0.00 C ATOM 473 CG TYR A 30 -0.003 11.843 2.751 1.00 0.00 C ATOM 474 CD1 TYR A 30 -0.501 12.540 1.643 1.00 0.00 C ATOM 475 CD2 TYR A 30 -0.337 12.257 4.046 1.00 0.00 C ATOM 476 CE1 TYR A 30 -1.336 13.649 1.832 1.00 0.00 C ATOM 477 CE2 TYR A 30 -1.170 13.365 4.234 1.00 0.00 C ATOM 478 CZ TYR A 30 -1.669 14.062 3.127 1.00 0.00 C ATOM 479 OH TYR A 30 -2.491 15.155 3.312 1.00 0.00 O ATOM 0 H TYR A 30 -0.644 9.292 3.902 1.00 0.00 H new ATOM 0 HA TYR A 30 -0.484 9.881 1.051 1.00 0.00 H new ATOM 0 HB2 TYR A 30 1.303 10.319 3.504 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.743 10.920 1.918 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -0.242 12.223 0.644 1.00 0.00 H new ATOM 0 HD2 TYR A 30 0.049 11.721 4.900 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.723 14.185 0.978 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.428 13.683 5.233 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.623 15.306 4.271 1.00 0.00 H new ATOM 489 N VAL A 31 1.524 7.538 2.229 1.00 0.00 N ATOM 490 CA VAL A 31 2.455 6.456 1.745 1.00 0.00 C ATOM 491 C VAL A 31 1.713 5.537 0.758 1.00 0.00 C ATOM 492 O VAL A 31 2.277 5.118 -0.237 1.00 0.00 O ATOM 493 CB VAL A 31 2.917 5.677 2.996 1.00 0.00 C ATOM 494 CG1 VAL A 31 3.795 4.482 2.593 1.00 0.00 C ATOM 495 CG2 VAL A 31 3.734 6.609 3.898 1.00 0.00 C ATOM 0 H VAL A 31 1.311 7.518 3.226 1.00 0.00 H new ATOM 0 HA VAL A 31 3.316 6.868 1.218 1.00 0.00 H new ATOM 0 HB VAL A 31 2.037 5.311 3.525 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.111 3.945 3.487 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.225 3.812 1.950 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.673 4.840 2.056 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.062 6.063 4.783 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.605 6.973 3.352 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.117 7.455 4.202 1.00 0.00 H new ATOM 505 N ALA A 32 0.458 5.224 1.011 1.00 0.00 N ATOM 506 CA ALA A 32 -0.288 4.332 0.051 1.00 0.00 C ATOM 507 C ALA A 32 -0.475 5.067 -1.282 1.00 0.00 C ATOM 508 O ALA A 32 -0.292 4.492 -2.338 1.00 0.00 O ATOM 509 CB ALA A 32 -1.652 4.027 0.691 1.00 0.00 C ATOM 0 H ALA A 32 -0.074 5.539 1.822 1.00 0.00 H new ATOM 0 HA ALA A 32 0.257 3.408 -0.144 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.229 3.382 0.028 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.501 3.524 1.646 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.195 4.958 0.853 1.00 0.00 H new ATOM 515 N GLU A 33 -0.823 6.337 -1.246 1.00 0.00 N ATOM 516 CA GLU A 33 -1.000 7.096 -2.537 1.00 0.00 C ATOM 517 C GLU A 33 0.334 7.126 -3.293 1.00 0.00 C ATOM 518 O GLU A 33 0.375 6.914 -4.491 1.00 0.00 O ATOM 519 CB GLU A 33 -1.437 8.522 -2.163 1.00 0.00 C ATOM 520 CG GLU A 33 -2.928 8.526 -1.819 1.00 0.00 C ATOM 521 CD GLU A 33 -3.741 8.859 -3.071 1.00 0.00 C ATOM 522 OE1 GLU A 33 -3.990 7.954 -3.850 1.00 0.00 O ATOM 523 OE2 GLU A 33 -4.102 10.014 -3.228 1.00 0.00 O ATOM 0 H GLU A 33 -0.990 6.875 -0.395 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.745 6.626 -3.179 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.856 8.881 -1.313 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.242 9.202 -2.992 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.224 7.552 -1.429 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.129 9.258 -1.037 1.00 0.00 H new ATOM 530 N TYR A 34 1.428 7.366 -2.601 1.00 0.00 N ATOM 531 CA TYR A 34 2.762 7.379 -3.301 1.00 0.00 C ATOM 532 C TYR A 34 3.046 5.978 -3.856 1.00 0.00 C ATOM 533 O TYR A 34 3.513 5.832 -4.971 1.00 0.00 O ATOM 534 CB TYR A 34 3.811 7.767 -2.239 1.00 0.00 C ATOM 535 CG TYR A 34 5.219 7.784 -2.817 1.00 0.00 C ATOM 536 CD1 TYR A 34 5.454 8.042 -4.181 1.00 0.00 C ATOM 537 CD2 TYR A 34 6.303 7.556 -1.960 1.00 0.00 C ATOM 538 CE1 TYR A 34 6.765 8.072 -4.673 1.00 0.00 C ATOM 539 CE2 TYR A 34 7.610 7.582 -2.454 1.00 0.00 C ATOM 540 CZ TYR A 34 7.842 7.842 -3.809 1.00 0.00 C ATOM 541 OH TYR A 34 9.134 7.875 -4.293 1.00 0.00 O ATOM 0 H TYR A 34 1.458 7.551 -1.598 1.00 0.00 H new ATOM 0 HA TYR A 34 2.783 8.084 -4.132 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.572 8.750 -1.834 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.767 7.061 -1.409 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.623 8.217 -4.848 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.128 7.359 -0.913 1.00 0.00 H new ATOM 0 HE1 TYR A 34 6.945 8.273 -5.719 1.00 0.00 H new ATOM 0 HE2 TYR A 34 8.442 7.401 -1.789 1.00 0.00 H new ATOM 0 HH TYR A 34 9.765 7.807 -3.546 1.00 0.00 H new ATOM 551 N ILE A 35 2.746 4.943 -3.097 1.00 0.00 N ATOM 552 CA ILE A 35 2.981 3.547 -3.610 1.00 0.00 C ATOM 553 C ILE A 35 2.078 3.319 -4.836 1.00 0.00 C ATOM 554 O ILE A 35 2.545 2.902 -5.880 1.00 0.00 O ATOM 555 CB ILE A 35 2.642 2.597 -2.435 1.00 0.00 C ATOM 556 CG1 ILE A 35 3.825 2.592 -1.462 1.00 0.00 C ATOM 557 CG2 ILE A 35 2.385 1.164 -2.930 1.00 0.00 C ATOM 558 CD1 ILE A 35 3.474 1.773 -0.222 1.00 0.00 C ATOM 0 H ILE A 35 2.354 5.002 -2.157 1.00 0.00 H new ATOM 0 HA ILE A 35 4.007 3.370 -3.933 1.00 0.00 H new ATOM 0 HB ILE A 35 1.735 2.951 -1.945 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.706 2.172 -1.948 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.076 3.613 -1.175 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.150 0.522 -2.081 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.547 1.165 -3.627 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.276 0.788 -3.433 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.320 1.774 0.466 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.606 2.212 0.270 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.246 0.748 -0.515 1.00 0.00 H new ATOM 570 N VAL A 36 0.799 3.615 -4.728 1.00 0.00 N ATOM 571 CA VAL A 36 -0.105 3.435 -5.922 1.00 0.00 C ATOM 572 C VAL A 36 0.385 4.349 -7.058 1.00 0.00 C ATOM 573 O VAL A 36 0.398 3.955 -8.208 1.00 0.00 O ATOM 574 CB VAL A 36 -1.528 3.820 -5.474 1.00 0.00 C ATOM 575 CG1 VAL A 36 -2.488 3.756 -6.668 1.00 0.00 C ATOM 576 CG2 VAL A 36 -2.000 2.836 -4.398 1.00 0.00 C ATOM 0 H VAL A 36 0.347 3.967 -3.884 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.099 2.408 -6.288 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.517 4.834 -5.075 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.492 4.030 -6.343 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.155 4.450 -7.440 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.501 2.743 -7.071 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.007 3.103 -4.077 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.006 1.825 -4.806 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.324 2.878 -3.544 1.00 0.00 H new ATOM 586 N LEU A 37 0.817 5.559 -6.743 1.00 0.00 N ATOM 587 CA LEU A 37 1.338 6.466 -7.830 1.00 0.00 C ATOM 588 C LEU A 37 2.545 5.787 -8.491 1.00 0.00 C ATOM 589 O LEU A 37 2.655 5.751 -9.703 1.00 0.00 O ATOM 590 CB LEU A 37 1.765 7.780 -7.156 1.00 0.00 C ATOM 591 CG LEU A 37 1.940 8.867 -8.219 1.00 0.00 C ATOM 592 CD1 LEU A 37 1.530 10.221 -7.637 1.00 0.00 C ATOM 593 CD2 LEU A 37 3.407 8.924 -8.653 1.00 0.00 C ATOM 0 H LEU A 37 0.831 5.950 -5.801 1.00 0.00 H new ATOM 0 HA LEU A 37 0.585 6.664 -8.593 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.015 8.087 -6.427 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.698 7.635 -6.612 1.00 0.00 H new ATOM 0 HG LEU A 37 1.313 8.636 -9.080 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.655 10.995 -8.394 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.486 10.182 -7.326 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.157 10.452 -6.776 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.533 9.698 -9.410 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.033 9.155 -7.791 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.702 7.960 -9.067 1.00 0.00 H new ATOM 605 N LEU A 38 3.438 5.210 -7.701 1.00 0.00 N ATOM 606 CA LEU A 38 4.613 4.492 -8.311 1.00 0.00 C ATOM 607 C LEU A 38 4.079 3.327 -9.161 1.00 0.00 C ATOM 608 O LEU A 38 4.530 3.095 -10.265 1.00 0.00 O ATOM 609 CB LEU A 38 5.462 3.944 -7.151 1.00 0.00 C ATOM 610 CG LEU A 38 6.070 5.102 -6.359 1.00 0.00 C ATOM 611 CD1 LEU A 38 6.468 4.610 -4.965 1.00 0.00 C ATOM 612 CD2 LEU A 38 7.310 5.620 -7.091 1.00 0.00 C ATOM 0 H LEU A 38 3.403 5.206 -6.682 1.00 0.00 H new ATOM 0 HA LEU A 38 5.210 5.153 -8.940 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.845 3.329 -6.496 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.253 3.302 -7.539 1.00 0.00 H new ATOM 0 HG LEU A 38 5.340 5.906 -6.266 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.902 5.434 -4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.586 4.237 -4.445 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.200 3.808 -5.058 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.746 6.446 -6.529 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.041 4.817 -7.181 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.027 5.967 -8.085 1.00 0.00 H new ATOM 624 N ILE A 39 3.099 2.607 -8.651 1.00 0.00 N ATOM 625 CA ILE A 39 2.508 1.464 -9.437 1.00 0.00 C ATOM 626 C ILE A 39 1.817 2.025 -10.692 1.00 0.00 C ATOM 627 O ILE A 39 1.948 1.481 -11.772 1.00 0.00 O ATOM 628 CB ILE A 39 1.477 0.797 -8.494 1.00 0.00 C ATOM 629 CG1 ILE A 39 2.215 0.141 -7.308 1.00 0.00 C ATOM 630 CG2 ILE A 39 0.633 -0.244 -9.249 1.00 0.00 C ATOM 631 CD1 ILE A 39 2.949 -1.134 -7.753 1.00 0.00 C ATOM 0 H ILE A 39 2.685 2.759 -7.731 1.00 0.00 H new ATOM 0 HA ILE A 39 3.259 0.745 -9.764 1.00 0.00 H new ATOM 0 HB ILE A 39 0.798 1.562 -8.116 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.929 0.847 -6.884 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.502 -0.102 -6.521 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.083 -0.698 -8.564 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.097 0.243 -10.064 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.286 -1.016 -9.655 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.461 -1.576 -6.898 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.229 -1.847 -8.154 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.679 -0.884 -8.523 1.00 0.00 H new ATOM 643 N VAL A 40 1.085 3.109 -10.555 1.00 0.00 N ATOM 644 CA VAL A 40 0.391 3.702 -11.754 1.00 0.00 C ATOM 645 C VAL A 40 1.408 4.339 -12.723 1.00 0.00 C ATOM 646 O VAL A 40 1.113 4.510 -13.892 1.00 0.00 O ATOM 647 CB VAL A 40 -0.573 4.778 -11.219 1.00 0.00 C ATOM 648 CG1 VAL A 40 -1.373 5.375 -12.382 1.00 0.00 C ATOM 649 CG2 VAL A 40 -1.539 4.152 -10.204 1.00 0.00 C ATOM 0 H VAL A 40 0.937 3.606 -9.677 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.141 2.929 -12.308 1.00 0.00 H new ATOM 0 HB VAL A 40 0.003 5.564 -10.731 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.055 6.136 -12.002 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.689 5.827 -13.100 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.945 4.587 -12.872 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.219 4.917 -9.829 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.114 3.362 -10.688 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.972 3.731 -9.374 1.00 0.00 H new ATOM 659 N ASN A 41 2.594 4.701 -12.265 1.00 0.00 N ATOM 660 CA ASN A 41 3.589 5.326 -13.189 1.00 0.00 C ATOM 661 C ASN A 41 4.925 4.557 -13.187 1.00 0.00 C ATOM 662 O ASN A 41 5.949 5.115 -13.538 1.00 0.00 O ATOM 663 CB ASN A 41 3.799 6.743 -12.644 1.00 0.00 C ATOM 664 CG ASN A 41 2.460 7.495 -12.601 1.00 0.00 C ATOM 665 OD1 ASN A 41 1.926 7.857 -13.631 1.00 0.00 O ATOM 666 ND2 ASN A 41 1.890 7.750 -11.447 1.00 0.00 N ATOM 0 H ASN A 41 2.906 4.589 -11.300 1.00 0.00 H new ATOM 0 HA ASN A 41 3.232 5.318 -14.219 1.00 0.00 H new ATOM 0 HB2 ASN A 41 4.231 6.696 -11.644 1.00 0.00 H new ATOM 0 HB3 ASN A 41 4.508 7.282 -13.273 1.00 0.00 H new ATOM 0 HD21 ASN A 41 1.002 8.250 -11.416 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.335 7.448 -10.580 1.00 0.00 H new ATOM 673 N GLY A 42 4.944 3.291 -12.802 1.00 0.00 N ATOM 674 CA GLY A 42 6.242 2.541 -12.800 1.00 0.00 C ATOM 675 C GLY A 42 6.083 1.219 -12.039 1.00 0.00 C ATOM 676 O GLY A 42 6.636 1.050 -10.969 1.00 0.00 O ATOM 0 H GLY A 42 4.129 2.759 -12.496 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.560 2.345 -13.824 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.020 3.146 -12.335 1.00 0.00 H new ATOM 680 N GLY A 43 5.325 0.285 -12.577 1.00 0.00 N ATOM 681 CA GLY A 43 5.129 -1.018 -11.876 1.00 0.00 C ATOM 682 C GLY A 43 6.444 -1.815 -11.869 1.00 0.00 C ATOM 683 O GLY A 43 6.574 -2.811 -12.555 1.00 0.00 O ATOM 0 H GLY A 43 4.838 0.374 -13.469 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.795 -0.843 -10.853 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.348 -1.594 -12.373 1.00 0.00 H new ATOM 687 N THR A 44 7.410 -1.396 -11.083 1.00 0.00 N ATOM 688 CA THR A 44 8.705 -2.131 -11.010 1.00 0.00 C ATOM 689 C THR A 44 9.173 -2.159 -9.544 1.00 0.00 C ATOM 690 O THR A 44 9.436 -1.126 -8.959 1.00 0.00 O ATOM 691 CB THR A 44 9.663 -1.329 -11.891 1.00 0.00 C ATOM 692 OG1 THR A 44 9.471 0.061 -11.651 1.00 0.00 O ATOM 693 CG2 THR A 44 9.377 -1.643 -13.364 1.00 0.00 C ATOM 0 H THR A 44 7.351 -0.570 -10.487 1.00 0.00 H new ATOM 0 HA THR A 44 8.641 -3.165 -11.349 1.00 0.00 H new ATOM 0 HB THR A 44 10.693 -1.597 -11.656 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.336 0.212 -10.692 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.058 -1.073 -13.996 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.521 -2.708 -13.543 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.348 -1.371 -13.601 1.00 0.00 H new ATOM 701 N VAL A 45 9.246 -3.327 -8.932 1.00 0.00 N ATOM 702 CA VAL A 45 9.662 -3.390 -7.478 1.00 0.00 C ATOM 703 C VAL A 45 10.972 -2.614 -7.242 1.00 0.00 C ATOM 704 O VAL A 45 11.126 -1.959 -6.229 1.00 0.00 O ATOM 705 CB VAL A 45 9.848 -4.881 -7.118 1.00 0.00 C ATOM 706 CG1 VAL A 45 10.318 -5.012 -5.664 1.00 0.00 C ATOM 707 CG2 VAL A 45 8.514 -5.619 -7.268 1.00 0.00 C ATOM 0 H VAL A 45 9.040 -4.227 -9.366 1.00 0.00 H new ATOM 0 HA VAL A 45 8.900 -2.930 -6.849 1.00 0.00 H new ATOM 0 HB VAL A 45 10.591 -5.313 -7.788 1.00 0.00 H new ATOM 0 HG11 VAL A 45 10.447 -6.066 -5.417 1.00 0.00 H new ATOM 0 HG12 VAL A 45 11.268 -4.491 -5.540 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.574 -4.572 -5.000 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.649 -6.670 -7.013 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.776 -5.176 -6.600 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.167 -5.537 -8.298 1.00 0.00 H new ATOM 717 N GLU A 46 11.915 -2.681 -8.155 1.00 0.00 N ATOM 718 CA GLU A 46 13.204 -1.934 -7.934 1.00 0.00 C ATOM 719 C GLU A 46 12.934 -0.428 -7.906 1.00 0.00 C ATOM 720 O GLU A 46 13.312 0.251 -6.968 1.00 0.00 O ATOM 721 CB GLU A 46 14.139 -2.293 -9.101 1.00 0.00 C ATOM 722 CG GLU A 46 15.590 -2.282 -8.615 1.00 0.00 C ATOM 723 CD GLU A 46 16.385 -3.357 -9.360 1.00 0.00 C ATOM 724 OE1 GLU A 46 15.859 -4.444 -9.529 1.00 0.00 O ATOM 725 OE2 GLU A 46 17.506 -3.073 -9.747 1.00 0.00 O ATOM 0 H GLU A 46 11.854 -3.208 -9.026 1.00 0.00 H new ATOM 0 HA GLU A 46 13.659 -2.207 -6.982 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.884 -3.277 -9.496 1.00 0.00 H new ATOM 0 HB3 GLU A 46 14.012 -1.580 -9.915 1.00 0.00 H new ATOM 0 HG2 GLU A 46 16.035 -1.302 -8.786 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.627 -2.466 -7.541 1.00 0.00 H new ATOM 732 N SER A 47 12.269 0.103 -8.909 1.00 0.00 N ATOM 733 CA SER A 47 11.973 1.579 -8.893 1.00 0.00 C ATOM 734 C SER A 47 10.942 1.886 -7.798 1.00 0.00 C ATOM 735 O SER A 47 11.012 2.916 -7.157 1.00 0.00 O ATOM 736 CB SER A 47 11.413 1.944 -10.273 1.00 0.00 C ATOM 737 OG SER A 47 11.815 0.960 -11.218 1.00 0.00 O ATOM 0 H SER A 47 11.924 -0.407 -9.722 1.00 0.00 H new ATOM 0 HA SER A 47 12.871 2.159 -8.682 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.325 2.003 -10.233 1.00 0.00 H new ATOM 0 HB3 SER A 47 11.775 2.926 -10.577 1.00 0.00 H new ATOM 0 HG SER A 47 11.055 0.727 -11.791 1.00 0.00 H new ATOM 743 N VAL A 48 9.991 1.000 -7.565 1.00 0.00 N ATOM 744 CA VAL A 48 8.975 1.270 -6.488 1.00 0.00 C ATOM 745 C VAL A 48 9.626 1.132 -5.102 1.00 0.00 C ATOM 746 O VAL A 48 9.300 1.876 -4.195 1.00 0.00 O ATOM 747 CB VAL A 48 7.840 0.243 -6.665 1.00 0.00 C ATOM 748 CG1 VAL A 48 6.754 0.494 -5.617 1.00 0.00 C ATOM 749 CG2 VAL A 48 7.227 0.389 -8.062 1.00 0.00 C ATOM 0 H VAL A 48 9.876 0.118 -8.065 1.00 0.00 H new ATOM 0 HA VAL A 48 8.583 2.284 -6.565 1.00 0.00 H new ATOM 0 HB VAL A 48 8.245 -0.762 -6.544 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.952 -0.233 -5.743 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.181 0.394 -4.619 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.354 1.501 -5.741 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.425 -0.338 -8.185 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.826 1.396 -8.180 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.994 0.214 -8.816 1.00 0.00 H new ATOM 759 N VAL A 49 10.555 0.210 -4.925 1.00 0.00 N ATOM 760 CA VAL A 49 11.216 0.085 -3.578 1.00 0.00 C ATOM 761 C VAL A 49 12.254 1.209 -3.418 1.00 0.00 C ATOM 762 O VAL A 49 12.410 1.759 -2.342 1.00 0.00 O ATOM 763 CB VAL A 49 11.881 -1.307 -3.531 1.00 0.00 C ATOM 764 CG1 VAL A 49 12.698 -1.460 -2.242 1.00 0.00 C ATOM 765 CG2 VAL A 49 10.796 -2.386 -3.562 1.00 0.00 C ATOM 0 H VAL A 49 10.877 -0.446 -5.637 1.00 0.00 H new ATOM 0 HA VAL A 49 10.500 0.180 -2.762 1.00 0.00 H new ATOM 0 HB VAL A 49 12.542 -1.413 -4.391 1.00 0.00 H new ATOM 0 HG11 VAL A 49 13.162 -2.446 -2.220 1.00 0.00 H new ATOM 0 HG12 VAL A 49 13.472 -0.694 -2.209 1.00 0.00 H new ATOM 0 HG13 VAL A 49 12.041 -1.349 -1.379 1.00 0.00 H new ATOM 0 HG21 VAL A 49 11.261 -3.371 -3.529 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.139 -2.266 -2.701 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.214 -2.290 -4.479 1.00 0.00 H new ATOM 775 N ASP A 50 12.951 1.571 -4.476 1.00 0.00 N ATOM 776 CA ASP A 50 13.957 2.684 -4.356 1.00 0.00 C ATOM 777 C ASP A 50 13.235 4.029 -4.176 1.00 0.00 C ATOM 778 O ASP A 50 13.717 4.898 -3.473 1.00 0.00 O ATOM 779 CB ASP A 50 14.780 2.687 -5.654 1.00 0.00 C ATOM 780 CG ASP A 50 16.195 3.188 -5.361 1.00 0.00 C ATOM 781 OD1 ASP A 50 16.736 2.808 -4.337 1.00 0.00 O ATOM 782 OD2 ASP A 50 16.713 3.943 -6.167 1.00 0.00 O ATOM 0 H ASP A 50 12.870 1.152 -5.402 1.00 0.00 H new ATOM 0 HA ASP A 50 14.603 2.537 -3.491 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.819 1.682 -6.075 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.303 3.326 -6.398 1.00 0.00 H new ATOM 787 N GLU A 51 12.079 4.213 -4.792 1.00 0.00 N ATOM 788 CA GLU A 51 11.352 5.522 -4.615 1.00 0.00 C ATOM 789 C GLU A 51 10.733 5.582 -3.214 1.00 0.00 C ATOM 790 O GLU A 51 10.766 6.613 -2.567 1.00 0.00 O ATOM 791 CB GLU A 51 10.252 5.588 -5.693 1.00 0.00 C ATOM 792 CG GLU A 51 10.718 6.481 -6.845 1.00 0.00 C ATOM 793 CD GLU A 51 10.147 5.956 -8.163 1.00 0.00 C ATOM 794 OE1 GLU A 51 10.582 4.903 -8.597 1.00 0.00 O ATOM 795 OE2 GLU A 51 9.284 6.617 -8.717 1.00 0.00 O ATOM 0 H GLU A 51 11.618 3.531 -5.395 1.00 0.00 H new ATOM 0 HA GLU A 51 12.034 6.366 -4.719 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.029 4.587 -6.062 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.331 5.982 -5.264 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.391 7.507 -6.678 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.807 6.497 -6.889 1.00 0.00 H new ATOM 802 N LEU A 52 10.187 4.487 -2.727 1.00 0.00 N ATOM 803 CA LEU A 52 9.594 4.511 -1.345 1.00 0.00 C ATOM 804 C LEU A 52 10.720 4.560 -0.305 1.00 0.00 C ATOM 805 O LEU A 52 10.596 5.219 0.708 1.00 0.00 O ATOM 806 CB LEU A 52 8.766 3.228 -1.187 1.00 0.00 C ATOM 807 CG LEU A 52 7.603 3.252 -2.177 1.00 0.00 C ATOM 808 CD1 LEU A 52 7.106 1.825 -2.414 1.00 0.00 C ATOM 809 CD2 LEU A 52 6.464 4.101 -1.604 1.00 0.00 C ATOM 0 H LEU A 52 10.126 3.594 -3.216 1.00 0.00 H new ATOM 0 HA LEU A 52 8.964 5.388 -1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.392 2.353 -1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.389 3.148 -0.167 1.00 0.00 H new ATOM 0 HG LEU A 52 7.937 3.681 -3.121 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.276 1.841 -3.120 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.917 1.220 -2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.771 1.395 -1.470 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.633 4.119 -2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.129 3.671 -0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.818 5.118 -1.434 1.00 0.00 H new ATOM 821 N ALA A 53 11.827 3.883 -0.549 1.00 0.00 N ATOM 822 CA ALA A 53 12.957 3.932 0.445 1.00 0.00 C ATOM 823 C ALA A 53 13.550 5.349 0.475 1.00 0.00 C ATOM 824 O ALA A 53 13.898 5.853 1.528 1.00 0.00 O ATOM 825 CB ALA A 53 14.011 2.917 -0.023 1.00 0.00 C ATOM 0 H ALA A 53 11.994 3.310 -1.376 1.00 0.00 H new ATOM 0 HA ALA A 53 12.615 3.688 1.451 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.851 2.919 0.671 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.569 1.921 -0.054 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.362 3.190 -1.018 1.00 0.00 H new ATOM 831 N SER A 54 13.658 6.005 -0.666 1.00 0.00 N ATOM 832 CA SER A 54 14.224 7.406 -0.668 1.00 0.00 C ATOM 833 C SER A 54 13.368 8.326 0.221 1.00 0.00 C ATOM 834 O SER A 54 13.884 9.223 0.861 1.00 0.00 O ATOM 835 CB SER A 54 14.189 7.896 -2.123 1.00 0.00 C ATOM 836 OG SER A 54 14.673 9.232 -2.180 1.00 0.00 O ATOM 0 H SER A 54 13.385 5.641 -1.579 1.00 0.00 H new ATOM 0 HA SER A 54 15.241 7.417 -0.275 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.800 7.248 -2.752 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.171 7.849 -2.511 1.00 0.00 H new ATOM 0 HG SER A 54 14.654 9.548 -3.108 1.00 0.00 H new ATOM 842 N LEU A 55 12.068 8.109 0.279 1.00 0.00 N ATOM 843 CA LEU A 55 11.200 8.979 1.146 1.00 0.00 C ATOM 844 C LEU A 55 11.008 8.317 2.516 1.00 0.00 C ATOM 845 O LEU A 55 11.057 8.974 3.539 1.00 0.00 O ATOM 846 CB LEU A 55 9.849 9.102 0.423 1.00 0.00 C ATOM 847 CG LEU A 55 9.802 10.413 -0.362 1.00 0.00 C ATOM 848 CD1 LEU A 55 10.569 10.251 -1.674 1.00 0.00 C ATOM 849 CD2 LEU A 55 8.344 10.766 -0.665 1.00 0.00 C ATOM 0 H LEU A 55 11.576 7.375 -0.231 1.00 0.00 H new ATOM 0 HA LEU A 55 11.650 9.959 1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.709 8.258 -0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.034 9.071 1.146 1.00 0.00 H new ATOM 0 HG LEU A 55 10.258 11.209 0.227 1.00 0.00 H new ATOM 0 HD11 LEU A 55 10.535 11.186 -2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 55 11.606 9.994 -1.460 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.113 9.457 -2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.305 11.700 -1.225 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.892 9.969 -1.256 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.795 10.880 0.270 1.00 0.00 H new ATOM 861 N PHE A 56 10.791 7.021 2.546 1.00 0.00 N ATOM 862 CA PHE A 56 10.597 6.318 3.849 1.00 0.00 C ATOM 863 C PHE A 56 11.773 5.361 4.095 1.00 0.00 C ATOM 864 O PHE A 56 11.642 4.161 3.939 1.00 0.00 O ATOM 865 CB PHE A 56 9.282 5.534 3.709 1.00 0.00 C ATOM 866 CG PHE A 56 8.163 6.460 3.275 1.00 0.00 C ATOM 867 CD1 PHE A 56 7.930 7.655 3.971 1.00 0.00 C ATOM 868 CD2 PHE A 56 7.366 6.124 2.175 1.00 0.00 C ATOM 869 CE1 PHE A 56 6.900 8.511 3.563 1.00 0.00 C ATOM 870 CE2 PHE A 56 6.338 6.981 1.768 1.00 0.00 C ATOM 871 CZ PHE A 56 6.104 8.175 2.462 1.00 0.00 C ATOM 0 H PHE A 56 10.741 6.423 1.721 1.00 0.00 H new ATOM 0 HA PHE A 56 10.555 7.011 4.690 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.404 4.733 2.980 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.027 5.065 4.659 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.544 7.915 4.821 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.545 5.203 1.640 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.720 9.431 4.098 1.00 0.00 H new ATOM 0 HE2 PHE A 56 5.724 6.722 0.918 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.310 8.836 2.148 1.00 0.00 H new ATOM 881 N ASP A 57 12.922 5.878 4.484 1.00 0.00 N ATOM 882 CA ASP A 57 14.096 4.980 4.743 1.00 0.00 C ATOM 883 C ASP A 57 14.285 4.741 6.254 1.00 0.00 C ATOM 884 O ASP A 57 15.389 4.495 6.705 1.00 0.00 O ATOM 885 CB ASP A 57 15.314 5.707 4.160 1.00 0.00 C ATOM 886 CG ASP A 57 16.263 4.689 3.526 1.00 0.00 C ATOM 887 OD1 ASP A 57 15.780 3.806 2.837 1.00 0.00 O ATOM 888 OD2 ASP A 57 17.459 4.809 3.740 1.00 0.00 O ATOM 0 H ASP A 57 13.094 6.873 4.631 1.00 0.00 H new ATOM 0 HA ASP A 57 13.952 4.001 4.287 1.00 0.00 H new ATOM 0 HB2 ASP A 57 14.994 6.434 3.414 1.00 0.00 H new ATOM 0 HB3 ASP A 57 15.830 6.261 4.944 1.00 0.00 H new ATOM 893 N SER A 58 13.227 4.797 7.042 1.00 0.00 N ATOM 894 CA SER A 58 13.378 4.554 8.516 1.00 0.00 C ATOM 895 C SER A 58 13.013 3.099 8.856 1.00 0.00 C ATOM 896 O SER A 58 13.650 2.476 9.684 1.00 0.00 O ATOM 897 CB SER A 58 12.415 5.527 9.206 1.00 0.00 C ATOM 898 OG SER A 58 11.171 5.522 8.519 1.00 0.00 O ATOM 0 H SER A 58 12.277 4.998 6.729 1.00 0.00 H new ATOM 0 HA SER A 58 14.405 4.713 8.846 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.270 5.237 10.247 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.837 6.532 9.211 1.00 0.00 H new ATOM 0 HG SER A 58 11.177 6.216 7.827 1.00 0.00 H new ATOM 904 N VAL A 59 11.997 2.547 8.221 1.00 0.00 N ATOM 905 CA VAL A 59 11.613 1.123 8.518 1.00 0.00 C ATOM 906 C VAL A 59 12.451 0.155 7.665 1.00 0.00 C ATOM 907 O VAL A 59 12.971 0.525 6.629 1.00 0.00 O ATOM 908 CB VAL A 59 10.111 0.990 8.190 1.00 0.00 C ATOM 909 CG1 VAL A 59 9.864 1.185 6.683 1.00 0.00 C ATOM 910 CG2 VAL A 59 9.627 -0.400 8.614 1.00 0.00 C ATOM 0 H VAL A 59 11.424 3.015 7.519 1.00 0.00 H new ATOM 0 HA VAL A 59 11.801 0.873 9.562 1.00 0.00 H new ATOM 0 HB VAL A 59 9.561 1.759 8.732 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.799 1.087 6.473 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.203 2.177 6.384 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.415 0.429 6.123 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.566 -0.501 8.385 1.00 0.00 H new ATOM 0 HG22 VAL A 59 10.189 -1.162 8.073 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.781 -0.528 9.685 1.00 0.00 H new ATOM 920 N SER A 60 12.595 -1.082 8.097 1.00 0.00 N ATOM 921 CA SER A 60 13.417 -2.072 7.302 1.00 0.00 C ATOM 922 C SER A 60 12.953 -2.123 5.834 1.00 0.00 C ATOM 923 O SER A 60 11.769 -2.110 5.555 1.00 0.00 O ATOM 924 CB SER A 60 13.210 -3.444 7.961 1.00 0.00 C ATOM 925 OG SER A 60 13.159 -3.285 9.372 1.00 0.00 O ATOM 0 H SER A 60 12.185 -1.449 8.956 1.00 0.00 H new ATOM 0 HA SER A 60 14.467 -1.781 7.300 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.286 -3.897 7.601 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.023 -4.117 7.689 1.00 0.00 H new ATOM 0 HG SER A 60 13.025 -4.159 9.795 1.00 0.00 H new ATOM 931 N ARG A 61 13.878 -2.187 4.893 1.00 0.00 N ATOM 932 CA ARG A 61 13.480 -2.244 3.436 1.00 0.00 C ATOM 933 C ARG A 61 12.474 -3.380 3.187 1.00 0.00 C ATOM 934 O ARG A 61 11.597 -3.258 2.351 1.00 0.00 O ATOM 935 CB ARG A 61 14.768 -2.505 2.637 1.00 0.00 C ATOM 936 CG ARG A 61 15.639 -1.245 2.644 1.00 0.00 C ATOM 937 CD ARG A 61 16.316 -1.079 1.281 1.00 0.00 C ATOM 938 NE ARG A 61 17.693 -1.613 1.468 1.00 0.00 N ATOM 939 CZ ARG A 61 18.110 -2.610 0.737 1.00 0.00 C ATOM 940 NH1 ARG A 61 17.421 -3.717 0.689 1.00 0.00 N ATOM 941 NH2 ARG A 61 19.217 -2.499 0.055 1.00 0.00 N ATOM 0 H ARG A 61 14.883 -2.202 5.067 1.00 0.00 H new ATOM 0 HA ARG A 61 13.002 -1.312 3.134 1.00 0.00 H new ATOM 0 HB2 ARG A 61 15.316 -3.341 3.073 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.522 -2.784 1.612 1.00 0.00 H new ATOM 0 HG2 ARG A 61 15.028 -0.370 2.867 1.00 0.00 H new ATOM 0 HG3 ARG A 61 16.392 -1.316 3.429 1.00 0.00 H new ATOM 0 HD2 ARG A 61 15.782 -1.628 0.505 1.00 0.00 H new ATOM 0 HD3 ARG A 61 16.336 -0.033 0.975 1.00 0.00 H new ATOM 0 HE ARG A 61 18.310 -1.200 2.167 1.00 0.00 H new ATOM 0 HH11 ARG A 61 16.556 -3.803 1.223 1.00 0.00 H new ATOM 0 HH12 ARG A 61 17.747 -4.496 0.117 1.00 0.00 H new ATOM 0 HH21 ARG A 61 19.755 -1.633 0.094 1.00 0.00 H new ATOM 0 HH22 ARG A 61 19.544 -3.278 -0.517 1.00 0.00 H new ATOM 955 N ASP A 62 12.589 -4.485 3.898 1.00 0.00 N ATOM 956 CA ASP A 62 11.619 -5.620 3.675 1.00 0.00 C ATOM 957 C ASP A 62 10.177 -5.139 3.893 1.00 0.00 C ATOM 958 O ASP A 62 9.281 -5.516 3.162 1.00 0.00 O ATOM 959 CB ASP A 62 11.971 -6.715 4.697 1.00 0.00 C ATOM 960 CG ASP A 62 11.097 -7.945 4.448 1.00 0.00 C ATOM 961 OD1 ASP A 62 11.092 -8.427 3.329 1.00 0.00 O ATOM 962 OD2 ASP A 62 10.447 -8.383 5.384 1.00 0.00 O ATOM 0 H ASP A 62 13.299 -4.650 4.611 1.00 0.00 H new ATOM 0 HA ASP A 62 11.691 -5.998 2.655 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.025 -6.981 4.612 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.816 -6.345 5.710 1.00 0.00 H new ATOM 967 N THR A 63 9.945 -4.305 4.884 1.00 0.00 N ATOM 968 CA THR A 63 8.542 -3.807 5.121 1.00 0.00 C ATOM 969 C THR A 63 8.074 -2.998 3.902 1.00 0.00 C ATOM 970 O THR A 63 6.948 -3.137 3.461 1.00 0.00 O ATOM 971 CB THR A 63 8.589 -2.919 6.379 1.00 0.00 C ATOM 972 OG1 THR A 63 9.012 -3.701 7.487 1.00 0.00 O ATOM 973 CG2 THR A 63 7.198 -2.342 6.661 1.00 0.00 C ATOM 0 H THR A 63 10.651 -3.951 5.530 1.00 0.00 H new ATOM 0 HA THR A 63 7.842 -4.631 5.264 1.00 0.00 H new ATOM 0 HB THR A 63 9.289 -2.099 6.218 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.045 -3.140 8.290 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.238 -1.715 7.552 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.873 -1.743 5.810 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.492 -3.157 6.822 1.00 0.00 H new ATOM 981 N LEU A 64 8.929 -2.166 3.346 1.00 0.00 N ATOM 982 CA LEU A 64 8.508 -1.369 2.141 1.00 0.00 C ATOM 983 C LEU A 64 8.278 -2.326 0.968 1.00 0.00 C ATOM 984 O LEU A 64 7.261 -2.266 0.302 1.00 0.00 O ATOM 985 CB LEU A 64 9.656 -0.396 1.814 1.00 0.00 C ATOM 986 CG LEU A 64 9.880 0.571 2.990 1.00 0.00 C ATOM 987 CD1 LEU A 64 11.293 0.386 3.552 1.00 0.00 C ATOM 988 CD2 LEU A 64 9.721 2.017 2.509 1.00 0.00 C ATOM 0 H LEU A 64 9.884 -2.005 3.667 1.00 0.00 H new ATOM 0 HA LEU A 64 7.586 -0.818 2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.570 -0.954 1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.420 0.166 0.910 1.00 0.00 H new ATOM 0 HG LEU A 64 9.145 0.359 3.767 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.446 1.073 4.384 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.414 -0.640 3.901 1.00 0.00 H new ATOM 0 HD13 LEU A 64 12.025 0.593 2.771 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.880 2.698 3.345 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.453 2.223 1.728 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.716 2.160 2.111 1.00 0.00 H new ATOM 1000 N ALA A 65 9.211 -3.220 0.719 1.00 0.00 N ATOM 1001 CA ALA A 65 9.024 -4.197 -0.415 1.00 0.00 C ATOM 1002 C ALA A 65 7.746 -5.026 -0.191 1.00 0.00 C ATOM 1003 O ALA A 65 7.047 -5.353 -1.132 1.00 0.00 O ATOM 1004 CB ALA A 65 10.256 -5.117 -0.418 1.00 0.00 C ATOM 0 H ALA A 65 10.082 -3.318 1.241 1.00 0.00 H new ATOM 0 HA ALA A 65 8.923 -3.677 -1.367 1.00 0.00 H new ATOM 0 HB1 ALA A 65 10.165 -5.844 -1.225 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.156 -4.520 -0.567 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.322 -5.640 0.536 1.00 0.00 H new ATOM 1010 N ASN A 66 7.430 -5.367 1.044 1.00 0.00 N ATOM 1011 CA ASN A 66 6.185 -6.175 1.299 1.00 0.00 C ATOM 1012 C ASN A 66 4.948 -5.396 0.830 1.00 0.00 C ATOM 1013 O ASN A 66 4.062 -5.959 0.214 1.00 0.00 O ATOM 1014 CB ASN A 66 6.112 -6.422 2.814 1.00 0.00 C ATOM 1015 CG ASN A 66 5.347 -7.722 3.086 1.00 0.00 C ATOM 1016 OD1 ASN A 66 4.158 -7.797 2.842 1.00 0.00 O ATOM 1017 ND2 ASN A 66 5.974 -8.760 3.583 1.00 0.00 N ATOM 0 H ASN A 66 7.971 -5.125 1.874 1.00 0.00 H new ATOM 0 HA ASN A 66 6.213 -7.118 0.753 1.00 0.00 H new ATOM 0 HB2 ASN A 66 7.117 -6.485 3.231 1.00 0.00 H new ATOM 0 HB3 ASN A 66 5.615 -5.586 3.306 1.00 0.00 H new ATOM 0 HD21 ASN A 66 5.465 -9.625 3.763 1.00 0.00 H new ATOM 0 HD22 ASN A 66 6.971 -8.703 3.790 1.00 0.00 H new ATOM 1024 N VAL A 67 4.877 -4.104 1.100 1.00 0.00 N ATOM 1025 CA VAL A 67 3.676 -3.322 0.636 1.00 0.00 C ATOM 1026 C VAL A 67 3.728 -3.175 -0.895 1.00 0.00 C ATOM 1027 O VAL A 67 2.718 -3.287 -1.564 1.00 0.00 O ATOM 1028 CB VAL A 67 3.739 -1.947 1.320 1.00 0.00 C ATOM 1029 CG1 VAL A 67 2.513 -1.125 0.915 1.00 0.00 C ATOM 1030 CG2 VAL A 67 3.747 -2.137 2.842 1.00 0.00 C ATOM 0 H VAL A 67 5.581 -3.570 1.609 1.00 0.00 H new ATOM 0 HA VAL A 67 2.744 -3.825 0.894 1.00 0.00 H new ATOM 0 HB VAL A 67 4.646 -1.425 1.014 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.554 -0.149 1.398 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.504 -0.994 -0.167 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.607 -1.646 1.225 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.792 -1.163 3.330 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.839 -2.655 3.149 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.617 -2.728 3.130 1.00 0.00 H new ATOM 1040 N VAL A 68 4.896 -2.953 -1.462 1.00 0.00 N ATOM 1041 CA VAL A 68 4.985 -2.842 -2.962 1.00 0.00 C ATOM 1042 C VAL A 68 4.566 -4.186 -3.592 1.00 0.00 C ATOM 1043 O VAL A 68 3.949 -4.209 -4.640 1.00 0.00 O ATOM 1044 CB VAL A 68 6.457 -2.517 -3.290 1.00 0.00 C ATOM 1045 CG1 VAL A 68 6.670 -2.498 -4.806 1.00 0.00 C ATOM 1046 CG2 VAL A 68 6.810 -1.143 -2.715 1.00 0.00 C ATOM 0 H VAL A 68 5.779 -2.845 -0.962 1.00 0.00 H new ATOM 0 HA VAL A 68 4.328 -2.067 -3.357 1.00 0.00 H new ATOM 0 HB VAL A 68 7.097 -3.282 -2.850 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.713 -2.267 -5.024 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.420 -3.474 -5.221 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.029 -1.739 -5.254 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.850 -0.909 -2.944 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.162 -0.386 -3.157 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.671 -1.154 -1.634 1.00 0.00 H new ATOM 1056 N GLN A 69 4.890 -5.306 -2.965 1.00 0.00 N ATOM 1057 CA GLN A 69 4.488 -6.632 -3.559 1.00 0.00 C ATOM 1058 C GLN A 69 2.961 -6.756 -3.595 1.00 0.00 C ATOM 1059 O GLN A 69 2.391 -7.082 -4.620 1.00 0.00 O ATOM 1060 CB GLN A 69 5.088 -7.725 -2.658 1.00 0.00 C ATOM 1061 CG GLN A 69 6.560 -7.935 -3.018 1.00 0.00 C ATOM 1062 CD GLN A 69 6.950 -9.394 -2.750 1.00 0.00 C ATOM 1063 OE1 GLN A 69 7.272 -9.748 -1.634 1.00 0.00 O ATOM 1064 NE2 GLN A 69 6.936 -10.266 -3.729 1.00 0.00 N ATOM 0 H GLN A 69 5.405 -5.358 -2.086 1.00 0.00 H new ATOM 0 HA GLN A 69 4.852 -6.726 -4.582 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.997 -7.438 -1.610 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.536 -8.657 -2.782 1.00 0.00 H new ATOM 0 HG2 GLN A 69 6.727 -7.690 -4.067 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.188 -7.266 -2.430 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.666 -9.974 -4.668 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.195 -11.236 -3.551 1.00 0.00 H new ATOM 1073 N THR A 70 2.287 -6.498 -2.491 1.00 0.00 N ATOM 1074 CA THR A 70 0.783 -6.611 -2.505 1.00 0.00 C ATOM 1075 C THR A 70 0.182 -5.641 -3.540 1.00 0.00 C ATOM 1076 O THR A 70 -0.850 -5.926 -4.120 1.00 0.00 O ATOM 1077 CB THR A 70 0.275 -6.291 -1.084 1.00 0.00 C ATOM 1078 OG1 THR A 70 -1.141 -6.403 -1.056 1.00 0.00 O ATOM 1079 CG2 THR A 70 0.679 -4.875 -0.675 1.00 0.00 C ATOM 0 H THR A 70 2.700 -6.221 -1.601 1.00 0.00 H new ATOM 0 HA THR A 70 0.477 -7.617 -2.790 1.00 0.00 H new ATOM 0 HB THR A 70 0.720 -6.998 -0.384 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.467 -6.202 -0.154 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.312 -4.668 0.330 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.765 -4.788 -0.689 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.248 -4.158 -1.374 1.00 0.00 H new ATOM 1087 N ALA A 71 0.819 -4.511 -3.804 1.00 0.00 N ATOM 1088 CA ALA A 71 0.252 -3.571 -4.838 1.00 0.00 C ATOM 1089 C ALA A 71 0.280 -4.269 -6.205 1.00 0.00 C ATOM 1090 O ALA A 71 -0.677 -4.204 -6.955 1.00 0.00 O ATOM 1091 CB ALA A 71 1.140 -2.313 -4.862 1.00 0.00 C ATOM 0 H ALA A 71 1.685 -4.206 -3.360 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.776 -3.294 -4.605 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.756 -1.611 -5.602 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.133 -1.844 -3.878 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.161 -2.593 -5.123 1.00 0.00 H new ATOM 1097 N PHE A 72 1.360 -4.961 -6.529 1.00 0.00 N ATOM 1098 CA PHE A 72 1.409 -5.681 -7.852 1.00 0.00 C ATOM 1099 C PHE A 72 0.329 -6.767 -7.857 1.00 0.00 C ATOM 1100 O PHE A 72 -0.445 -6.874 -8.789 1.00 0.00 O ATOM 1101 CB PHE A 72 2.803 -6.317 -7.964 1.00 0.00 C ATOM 1102 CG PHE A 72 3.802 -5.257 -8.348 1.00 0.00 C ATOM 1103 CD1 PHE A 72 3.772 -4.704 -9.632 1.00 0.00 C ATOM 1104 CD2 PHE A 72 4.754 -4.821 -7.420 1.00 0.00 C ATOM 1105 CE1 PHE A 72 4.694 -3.715 -9.988 1.00 0.00 C ATOM 1106 CE2 PHE A 72 5.676 -3.832 -7.778 1.00 0.00 C ATOM 1107 CZ PHE A 72 5.647 -3.280 -9.059 1.00 0.00 C ATOM 0 H PHE A 72 2.192 -5.056 -5.947 1.00 0.00 H new ATOM 0 HA PHE A 72 1.232 -5.007 -8.690 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.085 -6.773 -7.015 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.794 -7.112 -8.709 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.037 -5.041 -10.348 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.777 -5.248 -6.428 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.671 -3.287 -10.979 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.411 -3.495 -7.062 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.360 -2.517 -9.334 1.00 0.00 H new ATOM 1117 N PHE A 73 0.253 -7.562 -6.806 1.00 0.00 N ATOM 1118 CA PHE A 73 -0.811 -8.626 -6.751 1.00 0.00 C ATOM 1119 C PHE A 73 -2.196 -7.955 -6.803 1.00 0.00 C ATOM 1120 O PHE A 73 -3.102 -8.452 -7.444 1.00 0.00 O ATOM 1121 CB PHE A 73 -0.617 -9.372 -5.416 1.00 0.00 C ATOM 1122 CG PHE A 73 -1.674 -10.442 -5.257 1.00 0.00 C ATOM 1123 CD1 PHE A 73 -1.894 -11.373 -6.280 1.00 0.00 C ATOM 1124 CD2 PHE A 73 -2.432 -10.500 -4.082 1.00 0.00 C ATOM 1125 CE1 PHE A 73 -2.873 -12.362 -6.127 1.00 0.00 C ATOM 1126 CE2 PHE A 73 -3.411 -11.489 -3.929 1.00 0.00 C ATOM 1127 CZ PHE A 73 -3.632 -12.420 -4.952 1.00 0.00 C ATOM 0 H PHE A 73 0.872 -7.521 -5.996 1.00 0.00 H new ATOM 0 HA PHE A 73 -0.740 -9.319 -7.589 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.375 -9.823 -5.384 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.674 -8.668 -4.586 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.309 -11.328 -7.186 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.262 -9.782 -3.293 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.043 -13.080 -6.915 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -3.996 -11.534 -3.022 1.00 0.00 H new ATOM 0 HZ PHE A 73 -4.388 -13.182 -4.834 1.00 0.00 H new ATOM 1137 N ALA A 74 -2.365 -6.822 -6.143 1.00 0.00 N ATOM 1138 CA ALA A 74 -3.703 -6.130 -6.183 1.00 0.00 C ATOM 1139 C ALA A 74 -4.046 -5.755 -7.630 1.00 0.00 C ATOM 1140 O ALA A 74 -5.170 -5.928 -8.065 1.00 0.00 O ATOM 1141 CB ALA A 74 -3.580 -4.864 -5.320 1.00 0.00 C ATOM 0 H ALA A 74 -1.647 -6.355 -5.588 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.494 -6.777 -5.805 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.530 -4.330 -5.321 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.322 -5.144 -4.299 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.801 -4.220 -5.728 1.00 0.00 H new ATOM 1147 N LEU A 75 -3.090 -5.247 -8.385 1.00 0.00 N ATOM 1148 CA LEU A 75 -3.396 -4.873 -9.818 1.00 0.00 C ATOM 1149 C LEU A 75 -3.918 -6.099 -10.580 1.00 0.00 C ATOM 1150 O LEU A 75 -4.854 -5.998 -11.353 1.00 0.00 O ATOM 1151 CB LEU A 75 -2.082 -4.385 -10.453 1.00 0.00 C ATOM 1152 CG LEU A 75 -2.043 -2.857 -10.443 1.00 0.00 C ATOM 1153 CD1 LEU A 75 -0.658 -2.383 -10.888 1.00 0.00 C ATOM 1154 CD2 LEU A 75 -3.101 -2.313 -11.407 1.00 0.00 C ATOM 0 H LEU A 75 -2.131 -5.077 -8.082 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.159 -4.096 -9.859 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.230 -4.784 -9.902 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.002 -4.754 -11.475 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.248 -2.494 -9.436 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.627 -1.293 -10.882 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.097 -2.771 -10.204 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.456 -2.746 -11.896 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.074 -1.223 -11.400 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.896 -2.675 -12.414 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.088 -2.653 -11.094 1.00 0.00 H new ATOM 1166 N GLU A 76 -3.332 -7.257 -10.362 1.00 0.00 N ATOM 1167 CA GLU A 76 -3.826 -8.484 -11.082 1.00 0.00 C ATOM 1168 C GLU A 76 -5.203 -8.877 -10.534 1.00 0.00 C ATOM 1169 O GLU A 76 -6.089 -9.241 -11.284 1.00 0.00 O ATOM 1170 CB GLU A 76 -2.804 -9.601 -10.816 1.00 0.00 C ATOM 1171 CG GLU A 76 -1.633 -9.466 -11.792 1.00 0.00 C ATOM 1172 CD GLU A 76 -0.687 -10.656 -11.622 1.00 0.00 C ATOM 1173 OE1 GLU A 76 -0.032 -10.724 -10.595 1.00 0.00 O ATOM 1174 OE2 GLU A 76 -0.633 -11.479 -12.521 1.00 0.00 O ATOM 0 H GLU A 76 -2.547 -7.407 -9.729 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.927 -8.305 -12.153 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.444 -9.542 -9.789 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.277 -10.576 -10.932 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.003 -9.425 -12.817 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.099 -8.534 -11.609 1.00 0.00 H new ATOM 1181 N ALA A 77 -5.398 -8.793 -9.234 1.00 0.00 N ATOM 1182 CA ALA A 77 -6.741 -9.151 -8.660 1.00 0.00 C ATOM 1183 C ALA A 77 -7.782 -8.106 -9.088 1.00 0.00 C ATOM 1184 O ALA A 77 -8.910 -8.446 -9.393 1.00 0.00 O ATOM 1185 CB ALA A 77 -6.588 -9.158 -7.130 1.00 0.00 C ATOM 0 H ALA A 77 -4.697 -8.497 -8.555 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.076 -10.125 -9.017 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.542 -9.414 -6.670 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.838 -9.895 -6.843 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.275 -8.170 -6.791 1.00 0.00 H new ATOM 1191 N LEU A 78 -7.414 -6.840 -9.128 1.00 0.00 N ATOM 1192 CA LEU A 78 -8.408 -5.795 -9.558 1.00 0.00 C ATOM 1193 C LEU A 78 -8.729 -5.970 -11.052 1.00 0.00 C ATOM 1194 O LEU A 78 -9.864 -5.816 -11.463 1.00 0.00 O ATOM 1195 CB LEU A 78 -7.760 -4.422 -9.307 1.00 0.00 C ATOM 1196 CG LEU A 78 -8.818 -3.448 -8.786 1.00 0.00 C ATOM 1197 CD1 LEU A 78 -8.942 -3.593 -7.269 1.00 0.00 C ATOM 1198 CD2 LEU A 78 -8.404 -2.015 -9.129 1.00 0.00 C ATOM 0 H LEU A 78 -6.487 -6.491 -8.886 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.340 -5.885 -9.000 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.950 -4.517 -8.584 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.321 -4.041 -10.229 1.00 0.00 H new ATOM 0 HG LEU A 78 -9.778 -3.671 -9.252 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -9.696 -2.899 -6.898 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.236 -4.614 -7.024 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.982 -3.370 -6.803 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.157 -1.320 -8.758 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.444 -1.792 -8.663 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.315 -1.911 -10.210 1.00 0.00 H new ATOM 1210 N GLN A 79 -7.745 -6.300 -11.869 1.00 0.00 N ATOM 1211 CA GLN A 79 -8.029 -6.490 -13.337 1.00 0.00 C ATOM 1212 C GLN A 79 -8.970 -7.691 -13.553 1.00 0.00 C ATOM 1213 O GLN A 79 -9.764 -7.691 -14.476 1.00 0.00 O ATOM 1214 CB GLN A 79 -6.678 -6.747 -14.023 1.00 0.00 C ATOM 1215 CG GLN A 79 -6.015 -5.413 -14.365 1.00 0.00 C ATOM 1216 CD GLN A 79 -4.647 -5.670 -15.009 1.00 0.00 C ATOM 1217 OE1 GLN A 79 -4.458 -6.674 -15.667 1.00 0.00 O ATOM 1218 NE2 GLN A 79 -3.676 -4.805 -14.850 1.00 0.00 N ATOM 0 H GLN A 79 -6.775 -6.444 -11.589 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.519 -5.610 -13.753 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.030 -7.329 -13.367 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.825 -7.335 -14.929 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.648 -4.845 -15.046 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.897 -4.812 -13.463 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -3.830 -3.961 -14.299 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.766 -4.976 -15.278 1.00 0.00 H new ATOM 1227 N GLN A 80 -8.891 -8.713 -12.721 1.00 0.00 N ATOM 1228 CA GLN A 80 -9.799 -9.899 -12.912 1.00 0.00 C ATOM 1229 C GLN A 80 -11.190 -9.604 -12.334 1.00 0.00 C ATOM 1230 O GLN A 80 -12.194 -9.963 -12.920 1.00 0.00 O ATOM 1231 CB GLN A 80 -9.149 -11.074 -12.167 1.00 0.00 C ATOM 1232 CG GLN A 80 -9.966 -12.347 -12.406 1.00 0.00 C ATOM 1233 CD GLN A 80 -9.351 -13.143 -13.563 1.00 0.00 C ATOM 1234 OE1 GLN A 80 -9.185 -12.620 -14.647 1.00 0.00 O ATOM 1235 NE2 GLN A 80 -9.003 -14.394 -13.385 1.00 0.00 N ATOM 0 H GLN A 80 -8.248 -8.777 -11.931 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.927 -10.129 -13.970 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -8.125 -11.216 -12.513 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.097 -10.858 -11.100 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -9.983 -12.955 -11.502 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -11.000 -12.090 -12.637 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -9.140 -14.837 -12.477 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -8.595 -14.924 -14.155 1.00 0.00 H new ATOM 1244 N GLY A 81 -11.263 -8.952 -11.194 1.00 0.00 N ATOM 1245 CA GLY A 81 -12.595 -8.640 -10.596 1.00 0.00 C ATOM 1246 C GLY A 81 -12.541 -8.816 -9.071 1.00 0.00 C ATOM 1247 O GLY A 81 -12.987 -9.819 -8.546 1.00 0.00 O ATOM 0 H GLY A 81 -10.459 -8.626 -10.658 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.883 -7.618 -10.842 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.355 -9.296 -11.019 1.00 0.00 H new ATOM 1251 N GLU A 82 -12.007 -7.848 -8.352 1.00 0.00 N ATOM 1252 CA GLU A 82 -11.940 -7.969 -6.864 1.00 0.00 C ATOM 1253 C GLU A 82 -12.452 -6.677 -6.210 1.00 0.00 C ATOM 1254 O GLU A 82 -12.642 -5.679 -6.881 1.00 0.00 O ATOM 1255 CB GLU A 82 -10.460 -8.183 -6.545 1.00 0.00 C ATOM 1256 CG GLU A 82 -10.321 -9.190 -5.400 1.00 0.00 C ATOM 1257 CD GLU A 82 -9.118 -8.816 -4.532 1.00 0.00 C ATOM 1258 OE1 GLU A 82 -9.122 -7.724 -3.987 1.00 0.00 O ATOM 1259 OE2 GLU A 82 -8.213 -9.627 -4.428 1.00 0.00 O ATOM 0 H GLU A 82 -11.618 -6.986 -8.735 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.556 -8.786 -6.487 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.936 -8.548 -7.429 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -9.997 -7.236 -6.268 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.229 -9.198 -4.797 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.195 -10.196 -5.800 1.00 0.00 H new ATOM 1266 N SER A 83 -12.679 -6.679 -4.911 1.00 0.00 N ATOM 1267 CA SER A 83 -13.180 -5.441 -4.239 1.00 0.00 C ATOM 1268 C SER A 83 -12.131 -4.903 -3.254 1.00 0.00 C ATOM 1269 O SER A 83 -11.557 -5.653 -2.486 1.00 0.00 O ATOM 1270 CB SER A 83 -14.441 -5.871 -3.492 1.00 0.00 C ATOM 1271 OG SER A 83 -15.485 -6.104 -4.429 1.00 0.00 O ATOM 0 H SER A 83 -12.539 -7.481 -4.296 1.00 0.00 H new ATOM 0 HA SER A 83 -13.382 -4.643 -4.954 1.00 0.00 H new ATOM 0 HB2 SER A 83 -14.246 -6.775 -2.915 1.00 0.00 H new ATOM 0 HB3 SER A 83 -14.739 -5.099 -2.783 1.00 0.00 H new ATOM 0 HG SER A 83 -16.296 -6.382 -3.953 1.00 0.00 H new ATOM 1277 N ALA A 84 -11.880 -3.610 -3.263 1.00 0.00 N ATOM 1278 CA ALA A 84 -10.867 -3.038 -2.312 1.00 0.00 C ATOM 1279 C ALA A 84 -11.551 -2.458 -1.057 1.00 0.00 C ATOM 1280 O ALA A 84 -10.982 -2.484 0.019 1.00 0.00 O ATOM 1281 CB ALA A 84 -10.142 -1.929 -3.087 1.00 0.00 C ATOM 0 H ALA A 84 -12.328 -2.933 -3.881 1.00 0.00 H new ATOM 0 HA ALA A 84 -10.176 -3.806 -1.965 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.388 -1.471 -2.447 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -9.660 -2.355 -3.967 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -10.862 -1.172 -3.398 1.00 0.00 H new ATOM 1287 N GLU A 85 -12.760 -1.931 -1.171 1.00 0.00 N ATOM 1288 CA GLU A 85 -13.444 -1.354 0.046 1.00 0.00 C ATOM 1289 C GLU A 85 -13.541 -2.405 1.164 1.00 0.00 C ATOM 1290 O GLU A 85 -13.418 -2.081 2.329 1.00 0.00 O ATOM 1291 CB GLU A 85 -14.853 -0.926 -0.397 1.00 0.00 C ATOM 1292 CG GLU A 85 -14.772 0.414 -1.132 1.00 0.00 C ATOM 1293 CD GLU A 85 -15.868 0.479 -2.197 1.00 0.00 C ATOM 1294 OE1 GLU A 85 -16.965 0.020 -1.920 1.00 0.00 O ATOM 1295 OE2 GLU A 85 -15.593 0.985 -3.272 1.00 0.00 O ATOM 0 H GLU A 85 -13.294 -1.876 -2.038 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.879 -0.509 0.439 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.287 -1.685 -1.048 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.507 -0.838 0.470 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.888 1.236 -0.425 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -13.792 0.528 -1.596 1.00 0.00 H new ATOM 1302 N ASN A 86 -13.762 -3.659 0.827 1.00 0.00 N ATOM 1303 CA ASN A 86 -13.863 -4.713 1.905 1.00 0.00 C ATOM 1304 C ASN A 86 -12.571 -4.746 2.736 1.00 0.00 C ATOM 1305 O ASN A 86 -12.617 -4.903 3.944 1.00 0.00 O ATOM 1306 CB ASN A 86 -14.068 -6.061 1.193 1.00 0.00 C ATOM 1307 CG ASN A 86 -15.383 -6.035 0.398 1.00 0.00 C ATOM 1308 OD1 ASN A 86 -15.923 -4.979 0.133 1.00 0.00 O ATOM 1309 ND2 ASN A 86 -15.927 -7.160 0.000 1.00 0.00 N ATOM 0 H ASN A 86 -13.875 -3.998 -0.128 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.689 -4.499 2.583 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -13.231 -6.260 0.523 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -14.090 -6.869 1.924 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -16.799 -7.146 -0.529 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -15.478 -8.049 0.220 1.00 0.00 H new ATOM 1316 N ILE A 87 -11.421 -4.592 2.111 1.00 0.00 N ATOM 1317 CA ILE A 87 -10.138 -4.608 2.903 1.00 0.00 C ATOM 1318 C ILE A 87 -10.071 -3.375 3.824 1.00 0.00 C ATOM 1319 O ILE A 87 -9.555 -3.455 4.923 1.00 0.00 O ATOM 1320 CB ILE A 87 -8.985 -4.587 1.882 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -9.077 -5.828 0.986 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -7.641 -4.596 2.617 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -8.614 -5.480 -0.433 1.00 0.00 C ATOM 0 H ILE A 87 -11.314 -4.458 1.106 1.00 0.00 H new ATOM 0 HA ILE A 87 -10.075 -5.493 3.536 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.060 -3.685 1.274 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.460 -6.629 1.394 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -10.103 -6.196 0.964 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -6.829 -4.581 1.890 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.571 -3.717 3.258 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.566 -5.496 3.227 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.681 -6.365 -1.065 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -9.250 -4.694 -0.841 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.581 -5.133 -0.404 1.00 0.00 H new ATOM 1335 N VAL A 88 -10.588 -2.235 3.397 1.00 0.00 N ATOM 1336 CA VAL A 88 -10.535 -1.018 4.286 1.00 0.00 C ATOM 1337 C VAL A 88 -11.386 -1.255 5.553 1.00 0.00 C ATOM 1338 O VAL A 88 -11.021 -0.827 6.633 1.00 0.00 O ATOM 1339 CB VAL A 88 -11.036 0.190 3.430 1.00 0.00 C ATOM 1340 CG1 VAL A 88 -12.505 0.558 3.712 1.00 0.00 C ATOM 1341 CG2 VAL A 88 -10.156 1.407 3.728 1.00 0.00 C ATOM 0 H VAL A 88 -11.035 -2.097 2.491 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.525 -0.809 4.639 1.00 0.00 H new ATOM 0 HB VAL A 88 -10.970 -0.105 2.383 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -12.795 1.403 3.088 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -13.144 -0.296 3.486 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -12.618 0.827 4.762 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -10.497 2.256 3.136 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -10.223 1.653 4.788 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.121 1.179 3.473 1.00 0.00 H new ATOM 1351 N SER A 89 -12.513 -1.930 5.430 1.00 0.00 N ATOM 1352 CA SER A 89 -13.369 -2.177 6.650 1.00 0.00 C ATOM 1353 C SER A 89 -12.555 -2.932 7.713 1.00 0.00 C ATOM 1354 O SER A 89 -12.631 -2.623 8.888 1.00 0.00 O ATOM 1355 CB SER A 89 -14.562 -3.030 6.193 1.00 0.00 C ATOM 1356 OG SER A 89 -15.101 -2.480 4.997 1.00 0.00 O ATOM 0 H SER A 89 -12.873 -2.315 4.557 1.00 0.00 H new ATOM 0 HA SER A 89 -13.709 -1.239 7.089 1.00 0.00 H new ATOM 0 HB2 SER A 89 -14.245 -4.059 6.023 1.00 0.00 H new ATOM 0 HB3 SER A 89 -15.325 -3.056 6.971 1.00 0.00 H new ATOM 0 HG SER A 89 -15.862 -3.023 4.701 1.00 0.00 H new ATOM 1362 N LYS A 90 -11.767 -3.909 7.313 1.00 0.00 N ATOM 1363 CA LYS A 90 -10.941 -4.661 8.327 1.00 0.00 C ATOM 1364 C LYS A 90 -9.871 -3.735 8.929 1.00 0.00 C ATOM 1365 O LYS A 90 -9.526 -3.866 10.089 1.00 0.00 O ATOM 1366 CB LYS A 90 -10.276 -5.830 7.584 1.00 0.00 C ATOM 1367 CG LYS A 90 -10.133 -7.021 8.531 1.00 0.00 C ATOM 1368 CD LYS A 90 -10.246 -8.323 7.736 1.00 0.00 C ATOM 1369 CE LYS A 90 -9.909 -9.508 8.644 1.00 0.00 C ATOM 1370 NZ LYS A 90 -11.040 -9.587 9.609 1.00 0.00 N ATOM 0 H LYS A 90 -11.659 -4.216 6.346 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.563 -5.025 9.145 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -10.874 -6.111 6.717 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.297 -5.528 7.212 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.172 -6.978 9.044 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.906 -6.983 9.299 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -11.255 -8.432 7.338 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.568 -8.301 6.883 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -9.814 -10.430 8.071 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -8.961 -9.354 9.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -11.070 -10.537 10.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -10.907 -8.878 10.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -11.934 -9.401 9.112 1.00 0.00 H new ATOM 1384 N ILE A 91 -9.346 -2.795 8.164 1.00 0.00 N ATOM 1385 CA ILE A 91 -8.304 -1.874 8.739 1.00 0.00 C ATOM 1386 C ILE A 91 -8.955 -0.931 9.761 1.00 0.00 C ATOM 1387 O ILE A 91 -8.370 -0.635 10.786 1.00 0.00 O ATOM 1388 CB ILE A 91 -7.707 -1.077 7.560 1.00 0.00 C ATOM 1389 CG1 ILE A 91 -7.062 -2.039 6.546 1.00 0.00 C ATOM 1390 CG2 ILE A 91 -6.642 -0.109 8.079 1.00 0.00 C ATOM 1391 CD1 ILE A 91 -6.013 -2.916 7.242 1.00 0.00 C ATOM 0 H ILE A 91 -9.589 -2.629 7.187 1.00 0.00 H new ATOM 0 HA ILE A 91 -7.521 -2.430 9.254 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.506 -0.519 7.072 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.828 -2.667 6.091 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -6.596 -1.471 5.741 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.222 0.452 7.244 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.094 0.582 8.790 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.849 -0.671 8.573 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.564 -3.592 6.515 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -5.239 -2.283 7.675 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.490 -3.497 8.031 1.00 0.00 H new ATOM 1403 N ARG A 92 -10.160 -0.464 9.504 1.00 0.00 N ATOM 1404 CA ARG A 92 -10.825 0.454 10.497 1.00 0.00 C ATOM 1405 C ARG A 92 -10.997 -0.270 11.841 1.00 0.00 C ATOM 1406 O ARG A 92 -10.812 0.321 12.888 1.00 0.00 O ATOM 1407 CB ARG A 92 -12.196 0.832 9.913 1.00 0.00 C ATOM 1408 CG ARG A 92 -12.055 2.091 9.054 1.00 0.00 C ATOM 1409 CD ARG A 92 -13.321 2.942 9.179 1.00 0.00 C ATOM 1410 NE ARG A 92 -14.153 2.570 8.002 1.00 0.00 N ATOM 1411 CZ ARG A 92 -14.555 3.491 7.168 1.00 0.00 C ATOM 1412 NH1 ARG A 92 -13.746 3.932 6.244 1.00 0.00 N ATOM 1413 NH2 ARG A 92 -15.764 3.971 7.260 1.00 0.00 N ATOM 0 H ARG A 92 -10.704 -0.673 8.667 1.00 0.00 H new ATOM 0 HA ARG A 92 -10.224 1.346 10.672 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.586 0.011 9.312 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -12.911 1.006 10.718 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.185 2.666 9.373 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.891 1.816 8.012 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -13.844 2.736 10.113 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -13.084 4.006 9.174 1.00 0.00 H new ATOM 0 HE ARG A 92 -14.409 1.595 7.847 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -12.800 3.557 6.173 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -14.060 4.651 5.592 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -16.396 3.627 7.983 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -16.078 4.690 6.609 1.00 0.00 H new ATOM 1427 N MET A 93 -11.328 -1.546 11.825 1.00 0.00 N ATOM 1428 CA MET A 93 -11.481 -2.284 13.129 1.00 0.00 C ATOM 1429 C MET A 93 -10.094 -2.530 13.738 1.00 0.00 C ATOM 1430 O MET A 93 -9.909 -2.398 14.934 1.00 0.00 O ATOM 1431 CB MET A 93 -12.176 -3.619 12.814 1.00 0.00 C ATOM 1432 CG MET A 93 -13.692 -3.433 12.883 1.00 0.00 C ATOM 1433 SD MET A 93 -14.304 -2.858 11.279 1.00 0.00 S ATOM 1434 CE MET A 93 -14.789 -4.476 10.629 1.00 0.00 C ATOM 0 H MET A 93 -11.496 -2.099 10.984 1.00 0.00 H new ATOM 0 HA MET A 93 -12.070 -1.711 13.846 1.00 0.00 H new ATOM 0 HB2 MET A 93 -11.886 -3.967 11.822 1.00 0.00 H new ATOM 0 HB3 MET A 93 -11.860 -4.382 13.525 1.00 0.00 H new ATOM 0 HG2 MET A 93 -14.173 -4.374 13.151 1.00 0.00 H new ATOM 0 HG3 MET A 93 -13.946 -2.712 13.660 1.00 0.00 H new ATOM 0 HE1 MET A 93 -15.202 -4.357 9.627 1.00 0.00 H new ATOM 0 HE2 MET A 93 -13.916 -5.128 10.587 1.00 0.00 H new ATOM 0 HE3 MET A 93 -15.541 -4.919 11.281 1.00 0.00 H new ATOM 1444 N MET A 94 -9.112 -2.867 12.926 1.00 0.00 N ATOM 1445 CA MET A 94 -7.733 -3.094 13.484 1.00 0.00 C ATOM 1446 C MET A 94 -7.124 -1.753 13.915 1.00 0.00 C ATOM 1447 O MET A 94 -6.454 -1.674 14.928 1.00 0.00 O ATOM 1448 CB MET A 94 -6.896 -3.729 12.362 1.00 0.00 C ATOM 1449 CG MET A 94 -5.646 -4.378 12.960 1.00 0.00 C ATOM 1450 SD MET A 94 -4.334 -4.421 11.714 1.00 0.00 S ATOM 1451 CE MET A 94 -3.451 -2.941 12.265 1.00 0.00 C ATOM 0 H MET A 94 -9.203 -2.993 11.918 1.00 0.00 H new ATOM 0 HA MET A 94 -7.760 -3.746 14.357 1.00 0.00 H new ATOM 0 HB2 MET A 94 -7.487 -4.475 11.831 1.00 0.00 H new ATOM 0 HB3 MET A 94 -6.611 -2.970 11.633 1.00 0.00 H new ATOM 0 HG2 MET A 94 -5.314 -3.817 13.834 1.00 0.00 H new ATOM 0 HG3 MET A 94 -5.874 -5.389 13.298 1.00 0.00 H new ATOM 0 HE1 MET A 94 -3.564 -2.152 11.522 1.00 0.00 H new ATOM 0 HE2 MET A 94 -3.862 -2.605 13.217 1.00 0.00 H new ATOM 0 HE3 MET A 94 -2.393 -3.173 12.389 1.00 0.00 H new ATOM 1461 N ASN A 95 -7.361 -0.691 13.168 1.00 0.00 N ATOM 1462 CA ASN A 95 -6.792 0.642 13.577 1.00 0.00 C ATOM 1463 C ASN A 95 -7.504 1.140 14.844 1.00 0.00 C ATOM 1464 O ASN A 95 -6.882 1.720 15.715 1.00 0.00 O ATOM 1465 CB ASN A 95 -7.030 1.616 12.409 1.00 0.00 C ATOM 1466 CG ASN A 95 -5.825 1.581 11.460 1.00 0.00 C ATOM 1467 OD1 ASN A 95 -5.593 0.513 10.734 1.00 0.00 O flip ATOM 1468 ND2 ASN A 95 -5.082 2.539 11.376 1.00 0.00 N flip ATOM 0 H ASN A 95 -7.912 -0.688 12.310 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.727 0.565 13.797 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -7.938 1.341 11.872 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -7.178 2.627 12.789 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -5.258 3.372 11.938 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -4.282 2.510 10.743 1.00 0.00 H new