USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 590 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 47 LYS NZ :NH3+ 166:sc= 0.907 (180deg=0) USER MOD Set 1.2: A 97 GLN : amide:sc= 0.0465 K(o=0.95,f=-3.9!) USER MOD Single : A 24 THR OG1 : rot 34:sc= 0.17 USER MOD Single : A 33 ASN : amide:sc= 0.843 K(o=0.84,f=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.0269 X(o=-0.027,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.0872 K(o=-0.087,f=-0.78) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 158:sc= 0.852 (180deg=0.523) USER MOD Single : A 55 GLN : amide:sc= -0.468 K(o=-0.47,f=-2.6!) USER MOD Single : A 56 THR OG1 : rot 92:sc= 1.22 USER MOD Single : A 57 GLN : amide:sc= -0.0152 X(o=-0.015,f=-0.015) USER MOD Single : A 58 SER OG : rot 100:sc= 0.484 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.152 K(o=-0.15,f=-0.72) USER MOD Single : A 63 SER OG : rot -102:sc= 0.391 USER MOD Single : A 67 GLN : amide:sc= -0.629 K(o=-0.63,f=0.48) USER MOD Single : A 82 GLN : amide:sc= -0.394 K(o=-0.39,f=-4.1!) USER MOD Single : A 86 THR OG1 : rot 58:sc= -0.102 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -151:sc= -1.66 (180deg=-2.86!) USER MOD Single : A 91 HIS : no HD1:sc= -0.174 X(o=-0.17,f=-0.016) USER MOD Single : A 94 CYS SG : rot -55:sc= -0.813 USER MOD Single : A 98 TYR OH : rot 180:sc= -0.667 USER MOD Single : A 103 GLN : amide:sc=-0.00859 X(o=-0.0086,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 54 N THR A 24 1.896 -9.778 0.197 1.00 0.00 N ATOM 55 CA THR A 24 1.931 -11.117 0.797 1.00 0.00 C ATOM 56 C THR A 24 1.850 -12.196 -0.305 1.00 0.00 C ATOM 57 O THR A 24 0.818 -12.323 -0.967 1.00 0.00 O ATOM 58 CB THR A 24 0.735 -11.283 1.796 1.00 0.00 C ATOM 59 OG1 THR A 24 0.748 -10.201 2.741 1.00 0.00 O ATOM 60 CG2 THR A 24 0.781 -12.628 2.551 1.00 0.00 C ATOM 0 HA THR A 24 2.869 -11.237 1.339 1.00 0.00 H new ATOM 0 HB THR A 24 -0.185 -11.269 1.211 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.066 -9.386 2.300 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.069 -12.693 3.230 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.737 -13.449 1.835 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.707 -12.693 3.122 1.00 0.00 H new ATOM 68 N LEU A 25 2.952 -12.933 -0.518 1.00 0.00 N ATOM 69 CA LEU A 25 2.971 -14.104 -1.411 1.00 0.00 C ATOM 70 C LEU A 25 2.423 -15.316 -0.640 1.00 0.00 C ATOM 71 O LEU A 25 3.103 -15.864 0.234 1.00 0.00 O ATOM 72 CB LEU A 25 4.410 -14.385 -1.933 1.00 0.00 C ATOM 73 CG LEU A 25 5.079 -13.242 -2.772 1.00 0.00 C ATOM 74 CD1 LEU A 25 6.496 -13.647 -3.238 1.00 0.00 C ATOM 75 CD2 LEU A 25 4.199 -12.820 -3.970 1.00 0.00 C ATOM 0 H LEU A 25 3.851 -12.736 -0.079 1.00 0.00 H new ATOM 0 HA LEU A 25 2.345 -13.908 -2.282 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.049 -14.600 -1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.382 -15.287 -2.544 1.00 0.00 H new ATOM 0 HG LEU A 25 5.175 -12.375 -2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.935 -12.835 -3.817 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.121 -13.851 -2.368 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.433 -14.542 -3.857 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.698 -12.026 -4.526 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.040 -13.677 -4.625 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.237 -12.459 -3.606 1.00 0.00 H new ATOM 87 N VAL A 26 1.176 -15.692 -0.943 1.00 0.00 N ATOM 88 CA VAL A 26 0.481 -16.803 -0.277 1.00 0.00 C ATOM 89 C VAL A 26 0.689 -18.078 -1.103 1.00 0.00 C ATOM 90 O VAL A 26 0.307 -18.137 -2.268 1.00 0.00 O ATOM 91 CB VAL A 26 -1.061 -16.500 -0.121 1.00 0.00 C ATOM 92 CG1 VAL A 26 -1.830 -17.703 0.483 1.00 0.00 C ATOM 93 CG2 VAL A 26 -1.301 -15.201 0.696 1.00 0.00 C ATOM 0 H VAL A 26 0.616 -15.233 -1.661 1.00 0.00 H new ATOM 0 HA VAL A 26 0.893 -16.933 0.724 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.460 -16.339 -1.122 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.887 -17.451 0.573 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.718 -18.570 -0.168 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.427 -17.934 1.469 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.372 -15.020 0.786 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.867 -15.311 1.690 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.832 -14.359 0.187 1.00 0.00 H new ATOM 103 N ARG A 27 1.318 -19.079 -0.490 1.00 0.00 N ATOM 104 CA ARG A 27 1.619 -20.371 -1.134 1.00 0.00 C ATOM 105 C ARG A 27 0.385 -21.296 -0.995 1.00 0.00 C ATOM 106 O ARG A 27 -0.527 -21.005 -0.202 1.00 0.00 O ATOM 107 CB ARG A 27 2.890 -20.977 -0.459 1.00 0.00 C ATOM 108 CG ARG A 27 3.782 -21.869 -1.354 1.00 0.00 C ATOM 109 CD ARG A 27 5.017 -22.374 -0.583 1.00 0.00 C ATOM 110 NE ARG A 27 6.009 -23.041 -1.449 1.00 0.00 N ATOM 111 CZ ARG A 27 6.722 -24.132 -1.121 1.00 0.00 C ATOM 112 NH1 ARG A 27 6.477 -24.794 0.008 1.00 0.00 N ATOM 113 NH2 ARG A 27 7.673 -24.561 -1.939 1.00 0.00 N ATOM 0 H ARG A 27 1.639 -19.023 0.477 1.00 0.00 H new ATOM 0 HA ARG A 27 1.826 -20.250 -2.197 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.499 -20.157 -0.078 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.573 -21.565 0.402 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.204 -22.719 -1.716 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.102 -21.305 -2.230 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.492 -21.532 -0.079 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.694 -23.069 0.192 1.00 0.00 H new ATOM 0 HE ARG A 27 6.167 -22.640 -2.374 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.740 -24.475 0.637 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.026 -25.620 0.244 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.859 -24.064 -2.810 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.219 -25.388 -1.697 1.00 0.00 H new ATOM 127 N ILE A 28 0.358 -22.399 -1.770 1.00 0.00 N ATOM 128 CA ILE A 28 -0.769 -23.372 -1.760 1.00 0.00 C ATOM 129 C ILE A 28 -1.032 -23.949 -0.349 1.00 0.00 C ATOM 130 O ILE A 28 -2.190 -24.161 0.034 1.00 0.00 O ATOM 131 CB ILE A 28 -0.547 -24.547 -2.792 1.00 0.00 C ATOM 132 CG1 ILE A 28 -1.717 -25.596 -2.726 1.00 0.00 C ATOM 133 CG2 ILE A 28 0.834 -25.213 -2.608 1.00 0.00 C ATOM 134 CD1 ILE A 28 -1.563 -26.800 -3.635 1.00 0.00 C ATOM 0 H ILE A 28 1.107 -22.645 -2.417 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.651 -22.810 -2.066 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.559 -24.112 -3.791 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.810 -25.947 -1.698 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.650 -25.091 -2.975 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.950 -26.016 -3.335 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.619 -24.471 -2.758 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.909 -25.622 -1.600 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.422 -27.460 -3.513 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.505 -26.468 -4.672 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.652 -27.338 -3.375 1.00 0.00 H new ATOM 146 N ALA A 29 0.055 -24.162 0.414 1.00 0.00 N ATOM 147 CA ALA A 29 -0.007 -24.713 1.781 1.00 0.00 C ATOM 148 C ALA A 29 -0.885 -23.830 2.697 1.00 0.00 C ATOM 149 O ALA A 29 -1.708 -24.342 3.446 1.00 0.00 O ATOM 150 CB ALA A 29 1.411 -24.869 2.363 1.00 0.00 C ATOM 0 H ALA A 29 1.003 -23.957 0.100 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.468 -25.699 1.730 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.347 -25.277 3.372 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.990 -25.545 1.734 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.900 -23.895 2.395 1.00 0.00 H new ATOM 156 N ASP A 30 -0.736 -22.495 2.562 1.00 0.00 N ATOM 157 CA ASP A 30 -1.477 -21.494 3.373 1.00 0.00 C ATOM 158 C ASP A 30 -2.988 -21.550 3.094 1.00 0.00 C ATOM 159 O ASP A 30 -3.794 -21.325 4.003 1.00 0.00 O ATOM 160 CB ASP A 30 -0.955 -20.068 3.088 1.00 0.00 C ATOM 161 CG ASP A 30 0.546 -19.911 3.359 1.00 0.00 C ATOM 162 OD1 ASP A 30 1.358 -20.278 2.487 1.00 0.00 O ATOM 163 OD2 ASP A 30 0.926 -19.434 4.447 1.00 0.00 O ATOM 0 H ASP A 30 -0.097 -22.076 1.886 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.309 -21.739 4.422 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.159 -19.814 2.048 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.506 -19.356 3.703 1.00 0.00 H new ATOM 168 N LEU A 31 -3.355 -21.849 1.826 1.00 0.00 N ATOM 169 CA LEU A 31 -4.767 -22.047 1.421 1.00 0.00 C ATOM 170 C LEU A 31 -5.375 -23.224 2.205 1.00 0.00 C ATOM 171 O LEU A 31 -6.465 -23.110 2.771 1.00 0.00 O ATOM 172 CB LEU A 31 -4.887 -22.335 -0.105 1.00 0.00 C ATOM 173 CG LEU A 31 -4.295 -21.273 -1.082 1.00 0.00 C ATOM 174 CD1 LEU A 31 -4.540 -21.686 -2.550 1.00 0.00 C ATOM 175 CD2 LEU A 31 -4.847 -19.864 -0.789 1.00 0.00 C ATOM 0 H LEU A 31 -2.689 -21.959 1.062 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.309 -21.128 1.643 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.400 -23.289 -0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.943 -22.460 -0.343 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.218 -21.232 -0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.119 -20.932 -3.215 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.062 -22.647 -2.742 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.612 -21.771 -2.730 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.413 -19.150 -1.489 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.931 -19.868 -0.900 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.588 -19.576 0.230 1.00 0.00 H new ATOM 187 N GLU A 32 -4.613 -24.336 2.246 1.00 0.00 N ATOM 188 CA GLU A 32 -5.030 -25.590 2.893 1.00 0.00 C ATOM 189 C GLU A 32 -5.169 -25.401 4.415 1.00 0.00 C ATOM 190 O GLU A 32 -6.155 -25.833 5.016 1.00 0.00 O ATOM 191 CB GLU A 32 -4.004 -26.727 2.595 1.00 0.00 C ATOM 192 CG GLU A 32 -3.653 -26.923 1.103 1.00 0.00 C ATOM 193 CD GLU A 32 -4.891 -27.053 0.203 1.00 0.00 C ATOM 194 OE1 GLU A 32 -5.544 -28.120 0.224 1.00 0.00 O ATOM 195 OE2 GLU A 32 -5.224 -26.093 -0.528 1.00 0.00 O ATOM 0 H GLU A 32 -3.684 -24.386 1.827 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.001 -25.871 2.485 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.085 -26.518 3.143 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.402 -27.664 2.984 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.052 -26.079 0.764 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.038 -27.816 0.995 1.00 0.00 H new ATOM 202 N ASN A 33 -4.168 -24.722 5.009 1.00 0.00 N ATOM 203 CA ASN A 33 -4.116 -24.453 6.460 1.00 0.00 C ATOM 204 C ASN A 33 -5.302 -23.580 6.901 1.00 0.00 C ATOM 205 O ASN A 33 -6.013 -23.941 7.836 1.00 0.00 O ATOM 206 CB ASN A 33 -2.765 -23.795 6.876 1.00 0.00 C ATOM 207 CG ASN A 33 -1.636 -24.813 7.108 1.00 0.00 C ATOM 208 OD1 ASN A 33 -1.469 -25.327 8.208 1.00 0.00 O ATOM 209 ND2 ASN A 33 -0.855 -25.107 6.084 1.00 0.00 N ATOM 0 H ASN A 33 -3.372 -24.344 4.496 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.187 -25.414 6.970 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.458 -23.093 6.101 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -2.916 -23.217 7.788 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -0.093 -25.775 6.199 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.014 -24.666 5.178 1.00 0.00 H new ATOM 216 N HIS A 34 -5.530 -22.462 6.188 1.00 0.00 N ATOM 217 CA HIS A 34 -6.560 -21.469 6.564 1.00 0.00 C ATOM 218 C HIS A 34 -7.965 -22.057 6.359 1.00 0.00 C ATOM 219 O HIS A 34 -8.880 -21.781 7.141 1.00 0.00 O ATOM 220 CB HIS A 34 -6.378 -20.146 5.767 1.00 0.00 C ATOM 221 CG HIS A 34 -6.897 -18.930 6.493 1.00 0.00 C ATOM 222 ND1 HIS A 34 -6.062 -18.055 7.154 1.00 0.00 N ATOM 223 CD2 HIS A 34 -8.152 -18.450 6.669 1.00 0.00 C ATOM 224 CE1 HIS A 34 -6.774 -17.094 7.705 1.00 0.00 C ATOM 225 NE2 HIS A 34 -8.045 -17.307 7.426 1.00 0.00 N ATOM 0 H HIS A 34 -5.013 -22.220 5.343 1.00 0.00 H new ATOM 0 HA HIS A 34 -6.441 -21.230 7.621 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -5.319 -20.005 5.549 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.891 -20.234 4.810 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -9.064 -18.883 6.287 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -6.384 -16.272 8.286 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -8.823 -16.719 7.724 1.00 0.00 H new ATOM 234 N ASN A 35 -8.107 -22.888 5.308 1.00 0.00 N ATOM 235 CA ASN A 35 -9.350 -23.636 5.023 1.00 0.00 C ATOM 236 C ASN A 35 -9.644 -24.618 6.176 1.00 0.00 C ATOM 237 O ASN A 35 -10.781 -24.719 6.646 1.00 0.00 O ATOM 238 CB ASN A 35 -9.220 -24.397 3.670 1.00 0.00 C ATOM 239 CG ASN A 35 -10.483 -25.166 3.250 1.00 0.00 C ATOM 240 OD1 ASN A 35 -11.604 -24.761 3.548 1.00 0.00 O ATOM 241 ND2 ASN A 35 -10.308 -26.282 2.553 1.00 0.00 N ATOM 0 H ASN A 35 -7.363 -23.061 4.632 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.181 -22.935 4.942 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.968 -23.681 2.887 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.389 -25.099 3.740 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.116 -26.827 2.251 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.366 -26.595 2.319 1.00 0.00 H new ATOM 248 N ASN A 36 -8.583 -25.298 6.647 1.00 0.00 N ATOM 249 CA ASN A 36 -8.649 -26.249 7.775 1.00 0.00 C ATOM 250 C ASN A 36 -8.962 -25.518 9.102 1.00 0.00 C ATOM 251 O ASN A 36 -9.619 -26.074 9.991 1.00 0.00 O ATOM 252 CB ASN A 36 -7.313 -27.034 7.876 1.00 0.00 C ATOM 253 CG ASN A 36 -7.277 -28.060 9.014 1.00 0.00 C ATOM 254 OD1 ASN A 36 -6.812 -27.774 10.115 1.00 0.00 O ATOM 255 ND2 ASN A 36 -7.779 -29.256 8.753 1.00 0.00 N ATOM 0 H ASN A 36 -7.647 -25.203 6.253 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.460 -26.954 7.591 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.133 -27.548 6.932 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.497 -26.325 8.014 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.788 -29.974 9.477 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.157 -29.460 7.828 1.00 0.00 H new ATOM 262 N ASP A 37 -8.493 -24.260 9.214 1.00 0.00 N ATOM 263 CA ASP A 37 -8.748 -23.396 10.394 1.00 0.00 C ATOM 264 C ASP A 37 -10.214 -22.923 10.428 1.00 0.00 C ATOM 265 O ASP A 37 -10.700 -22.489 11.474 1.00 0.00 O ATOM 266 CB ASP A 37 -7.794 -22.167 10.410 1.00 0.00 C ATOM 267 CG ASP A 37 -6.317 -22.524 10.656 1.00 0.00 C ATOM 268 OD1 ASP A 37 -6.032 -23.318 11.576 1.00 0.00 O ATOM 269 OD2 ASP A 37 -5.430 -22.011 9.938 1.00 0.00 O ATOM 0 H ASP A 37 -7.928 -23.811 8.494 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.554 -23.996 11.283 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.877 -21.643 9.458 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.124 -21.474 11.184 1.00 0.00 H new ATOM 274 N GLY A 38 -10.903 -23.006 9.276 1.00 0.00 N ATOM 275 CA GLY A 38 -12.327 -22.665 9.180 1.00 0.00 C ATOM 276 C GLY A 38 -12.571 -21.346 8.457 1.00 0.00 C ATOM 277 O GLY A 38 -13.522 -20.624 8.775 1.00 0.00 O ATOM 0 H GLY A 38 -10.489 -23.309 8.394 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.853 -23.464 8.657 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -12.751 -22.608 10.183 1.00 0.00 H new ATOM 281 N GLY A 39 -11.699 -21.043 7.482 1.00 0.00 N ATOM 282 CA GLY A 39 -11.813 -19.852 6.642 1.00 0.00 C ATOM 283 C GLY A 39 -11.446 -20.190 5.207 1.00 0.00 C ATOM 284 O GLY A 39 -10.260 -20.349 4.894 1.00 0.00 O ATOM 0 H GLY A 39 -10.892 -21.625 7.257 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.831 -19.464 6.684 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -11.157 -19.067 7.019 1.00 0.00 H new ATOM 288 N PHE A 40 -12.461 -20.296 4.332 1.00 0.00 N ATOM 289 CA PHE A 40 -12.292 -20.850 2.980 1.00 0.00 C ATOM 290 C PHE A 40 -11.595 -19.823 2.072 1.00 0.00 C ATOM 291 O PHE A 40 -12.165 -18.774 1.753 1.00 0.00 O ATOM 292 CB PHE A 40 -13.675 -21.265 2.399 1.00 0.00 C ATOM 293 CG PHE A 40 -13.606 -21.970 1.039 1.00 0.00 C ATOM 294 CD1 PHE A 40 -13.090 -23.263 0.929 1.00 0.00 C ATOM 295 CD2 PHE A 40 -14.056 -21.345 -0.127 1.00 0.00 C ATOM 296 CE1 PHE A 40 -13.028 -23.903 -0.298 1.00 0.00 C ATOM 297 CE2 PHE A 40 -13.993 -21.985 -1.351 1.00 0.00 C ATOM 298 CZ PHE A 40 -13.482 -23.265 -1.435 1.00 0.00 C ATOM 0 H PHE A 40 -13.415 -20.002 4.541 1.00 0.00 H new ATOM 0 HA PHE A 40 -11.663 -21.739 3.031 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -14.171 -21.924 3.111 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -14.296 -20.375 2.302 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -12.734 -23.771 1.813 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -14.460 -20.345 -0.071 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -12.624 -24.902 -0.365 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -14.343 -21.484 -2.241 1.00 0.00 H new ATOM 0 HZ PHE A 40 -13.437 -23.767 -2.390 1.00 0.00 H new ATOM 308 N TRP A 41 -10.341 -20.138 1.706 1.00 0.00 N ATOM 309 CA TRP A 41 -9.506 -19.311 0.821 1.00 0.00 C ATOM 310 C TRP A 41 -9.520 -19.873 -0.604 1.00 0.00 C ATOM 311 O TRP A 41 -9.585 -21.092 -0.809 1.00 0.00 O ATOM 312 CB TRP A 41 -8.041 -19.220 1.373 1.00 0.00 C ATOM 313 CG TRP A 41 -7.830 -18.129 2.403 1.00 0.00 C ATOM 314 CD1 TRP A 41 -8.793 -17.464 3.099 1.00 0.00 C ATOM 315 CD2 TRP A 41 -6.580 -17.573 2.834 1.00 0.00 C ATOM 316 NE1 TRP A 41 -8.232 -16.525 3.917 1.00 0.00 N ATOM 317 CE2 TRP A 41 -6.875 -16.574 3.781 1.00 0.00 C ATOM 318 CE3 TRP A 41 -5.246 -17.826 2.525 1.00 0.00 C ATOM 319 CZ2 TRP A 41 -5.889 -15.813 4.400 1.00 0.00 C ATOM 320 CZ3 TRP A 41 -4.264 -17.073 3.141 1.00 0.00 C ATOM 321 CH2 TRP A 41 -4.589 -16.084 4.076 1.00 0.00 C ATOM 0 H TRP A 41 -9.873 -20.987 2.022 1.00 0.00 H new ATOM 0 HA TRP A 41 -9.920 -18.303 0.794 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -7.772 -20.179 1.816 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -7.360 -19.052 0.538 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -9.853 -17.653 3.016 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.744 -15.890 4.530 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.983 -18.597 1.816 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -6.141 -15.038 5.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -3.227 -17.251 2.896 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.797 -15.524 4.551 1.00 0.00 H new ATOM 332 N THR A 42 -9.464 -18.953 -1.575 1.00 0.00 N ATOM 333 CA THR A 42 -9.422 -19.266 -3.008 1.00 0.00 C ATOM 334 C THR A 42 -8.453 -18.304 -3.711 1.00 0.00 C ATOM 335 O THR A 42 -8.251 -17.171 -3.254 1.00 0.00 O ATOM 336 CB THR A 42 -10.852 -19.163 -3.660 1.00 0.00 C ATOM 337 OG1 THR A 42 -10.818 -19.640 -5.017 1.00 0.00 O ATOM 338 CG2 THR A 42 -11.409 -17.725 -3.643 1.00 0.00 C ATOM 0 H THR A 42 -9.446 -17.951 -1.383 1.00 0.00 H new ATOM 0 HA THR A 42 -9.075 -20.293 -3.127 1.00 0.00 H new ATOM 0 HB THR A 42 -11.515 -19.785 -3.058 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.713 -19.572 -5.410 1.00 0.00 H new ATOM 0 HG21 THR A 42 -12.396 -17.712 -4.104 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.485 -17.376 -2.613 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.740 -17.069 -4.200 1.00 0.00 H new ATOM 346 N VAL A 43 -7.850 -18.767 -4.811 1.00 0.00 N ATOM 347 CA VAL A 43 -7.019 -17.926 -5.683 1.00 0.00 C ATOM 348 C VAL A 43 -7.816 -17.553 -6.951 1.00 0.00 C ATOM 349 O VAL A 43 -8.293 -18.431 -7.678 1.00 0.00 O ATOM 350 CB VAL A 43 -5.639 -18.600 -6.049 1.00 0.00 C ATOM 351 CG1 VAL A 43 -5.793 -20.069 -6.512 1.00 0.00 C ATOM 352 CG2 VAL A 43 -4.881 -17.752 -7.105 1.00 0.00 C ATOM 0 H VAL A 43 -7.923 -19.735 -5.123 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.770 -17.019 -5.132 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.046 -18.630 -5.135 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.812 -20.480 -6.750 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.249 -20.656 -5.715 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.427 -20.107 -7.398 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.932 -18.232 -7.345 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.485 -17.671 -8.009 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.692 -16.756 -6.704 1.00 0.00 H new ATOM 362 N ILE A 44 -7.999 -16.238 -7.156 1.00 0.00 N ATOM 363 CA ILE A 44 -8.673 -15.660 -8.332 1.00 0.00 C ATOM 364 C ILE A 44 -7.789 -14.525 -8.893 1.00 0.00 C ATOM 365 O ILE A 44 -7.430 -13.606 -8.149 1.00 0.00 O ATOM 366 CB ILE A 44 -10.093 -15.075 -7.957 1.00 0.00 C ATOM 367 CG1 ILE A 44 -10.995 -16.155 -7.263 1.00 0.00 C ATOM 368 CG2 ILE A 44 -10.799 -14.480 -9.206 1.00 0.00 C ATOM 369 CD1 ILE A 44 -12.282 -15.621 -6.648 1.00 0.00 C ATOM 0 H ILE A 44 -7.676 -15.532 -6.495 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.818 -16.446 -9.073 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.936 -14.268 -7.241 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -11.251 -16.919 -7.997 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.413 -16.645 -6.482 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -11.774 -14.085 -8.919 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.189 -13.677 -9.621 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.930 -15.260 -9.956 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -12.836 -16.442 -6.193 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -12.041 -14.880 -5.886 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -12.891 -15.158 -7.424 1.00 0.00 H new ATOM 381 N ASP A 45 -7.424 -14.625 -10.192 1.00 0.00 N ATOM 382 CA ASP A 45 -6.656 -13.583 -10.935 1.00 0.00 C ATOM 383 C ASP A 45 -5.245 -13.358 -10.318 1.00 0.00 C ATOM 384 O ASP A 45 -4.680 -12.258 -10.368 1.00 0.00 O ATOM 385 CB ASP A 45 -7.504 -12.263 -11.022 1.00 0.00 C ATOM 386 CG ASP A 45 -6.924 -11.190 -11.969 1.00 0.00 C ATOM 387 OD1 ASP A 45 -6.815 -11.454 -13.184 1.00 0.00 O ATOM 388 OD2 ASP A 45 -6.586 -10.075 -11.511 1.00 0.00 O ATOM 0 H ASP A 45 -7.654 -15.437 -10.765 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.477 -13.930 -11.952 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.512 -12.515 -11.353 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.594 -11.837 -10.023 1.00 0.00 H new ATOM 393 N GLY A 46 -4.674 -14.442 -9.755 1.00 0.00 N ATOM 394 CA GLY A 46 -3.341 -14.409 -9.128 1.00 0.00 C ATOM 395 C GLY A 46 -3.344 -13.786 -7.727 1.00 0.00 C ATOM 396 O GLY A 46 -2.282 -13.566 -7.132 1.00 0.00 O ATOM 0 H GLY A 46 -5.122 -15.358 -9.723 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.952 -15.425 -9.065 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.661 -13.846 -9.767 1.00 0.00 H new ATOM 400 N LYS A 47 -4.551 -13.502 -7.214 1.00 0.00 N ATOM 401 CA LYS A 47 -4.779 -12.939 -5.876 1.00 0.00 C ATOM 402 C LYS A 47 -5.437 -14.013 -5.004 1.00 0.00 C ATOM 403 O LYS A 47 -6.026 -14.942 -5.533 1.00 0.00 O ATOM 404 CB LYS A 47 -5.732 -11.715 -5.972 1.00 0.00 C ATOM 405 CG LYS A 47 -5.346 -10.636 -7.003 1.00 0.00 C ATOM 406 CD LYS A 47 -4.113 -9.822 -6.582 1.00 0.00 C ATOM 407 CE LYS A 47 -3.755 -8.725 -7.599 1.00 0.00 C ATOM 408 NZ LYS A 47 -2.550 -7.961 -7.196 1.00 0.00 N ATOM 0 H LYS A 47 -5.416 -13.662 -7.731 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.830 -12.622 -5.445 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.732 -12.076 -6.211 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.789 -11.246 -4.990 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.150 -11.112 -7.964 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.189 -9.961 -7.148 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.298 -9.365 -5.610 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.262 -10.493 -6.462 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.586 -9.178 -8.576 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.598 -8.042 -7.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.207 -7.403 -8.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.790 -7.322 -6.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.807 -8.621 -6.890 1.00 0.00 H new ATOM 422 N VAL A 48 -5.355 -13.877 -3.675 1.00 0.00 N ATOM 423 CA VAL A 48 -6.056 -14.777 -2.727 1.00 0.00 C ATOM 424 C VAL A 48 -7.113 -13.982 -1.943 1.00 0.00 C ATOM 425 O VAL A 48 -6.868 -12.836 -1.551 1.00 0.00 O ATOM 426 CB VAL A 48 -5.067 -15.494 -1.737 1.00 0.00 C ATOM 427 CG1 VAL A 48 -5.821 -16.419 -0.739 1.00 0.00 C ATOM 428 CG2 VAL A 48 -3.999 -16.284 -2.521 1.00 0.00 C ATOM 0 H VAL A 48 -4.806 -13.147 -3.220 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.541 -15.558 -3.312 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.568 -14.723 -1.149 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.103 -16.896 -0.072 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.523 -15.826 -0.153 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.366 -17.184 -1.292 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.322 -16.774 -1.821 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.486 -17.036 -3.142 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.433 -15.601 -3.154 1.00 0.00 H new ATOM 438 N TYR A 49 -8.290 -14.607 -1.730 1.00 0.00 N ATOM 439 CA TYR A 49 -9.458 -13.983 -1.075 1.00 0.00 C ATOM 440 C TYR A 49 -10.054 -14.937 -0.026 1.00 0.00 C ATOM 441 O TYR A 49 -9.900 -16.158 -0.140 1.00 0.00 O ATOM 442 CB TYR A 49 -10.552 -13.645 -2.125 1.00 0.00 C ATOM 443 CG TYR A 49 -10.106 -12.687 -3.245 1.00 0.00 C ATOM 444 CD1 TYR A 49 -9.546 -13.173 -4.431 1.00 0.00 C ATOM 445 CD2 TYR A 49 -10.230 -11.302 -3.108 1.00 0.00 C ATOM 446 CE1 TYR A 49 -9.118 -12.312 -5.417 1.00 0.00 C ATOM 447 CE2 TYR A 49 -9.807 -10.442 -4.101 1.00 0.00 C ATOM 448 CZ TYR A 49 -9.251 -10.952 -5.248 1.00 0.00 C ATOM 449 OH TYR A 49 -8.800 -10.092 -6.226 1.00 0.00 O ATOM 0 H TYR A 49 -8.458 -15.573 -2.012 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.123 -13.066 -0.589 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -10.898 -14.574 -2.579 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.405 -13.205 -1.609 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.448 -14.239 -4.576 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -10.666 -10.896 -2.207 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -8.678 -12.703 -6.322 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.913 -9.374 -3.977 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.970 -9.167 -5.952 1.00 0.00 H new ATOM 459 N ASP A 50 -10.761 -14.370 0.976 1.00 0.00 N ATOM 460 CA ASP A 50 -11.513 -15.152 1.981 1.00 0.00 C ATOM 461 C ASP A 50 -13.012 -15.106 1.618 1.00 0.00 C ATOM 462 O ASP A 50 -13.671 -14.068 1.757 1.00 0.00 O ATOM 463 CB ASP A 50 -11.269 -14.608 3.416 1.00 0.00 C ATOM 464 CG ASP A 50 -11.832 -15.532 4.530 1.00 0.00 C ATOM 465 OD1 ASP A 50 -13.005 -15.392 4.903 1.00 0.00 O ATOM 466 OD2 ASP A 50 -11.087 -16.395 5.047 1.00 0.00 O ATOM 0 H ASP A 50 -10.826 -13.361 1.110 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.165 -16.185 1.971 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.198 -14.477 3.570 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.727 -13.623 3.506 1.00 0.00 H new ATOM 471 N ILE A 51 -13.515 -16.240 1.118 1.00 0.00 N ATOM 472 CA ILE A 51 -14.908 -16.411 0.665 1.00 0.00 C ATOM 473 C ILE A 51 -15.909 -16.353 1.831 1.00 0.00 C ATOM 474 O ILE A 51 -17.031 -15.842 1.671 1.00 0.00 O ATOM 475 CB ILE A 51 -15.038 -17.772 -0.118 1.00 0.00 C ATOM 476 CG1 ILE A 51 -14.246 -17.702 -1.457 1.00 0.00 C ATOM 477 CG2 ILE A 51 -16.507 -18.205 -0.361 1.00 0.00 C ATOM 478 CD1 ILE A 51 -14.732 -16.623 -2.412 1.00 0.00 C ATOM 0 H ILE A 51 -12.955 -17.086 1.013 1.00 0.00 H new ATOM 0 HA ILE A 51 -15.154 -15.582 0.002 1.00 0.00 H new ATOM 0 HB ILE A 51 -14.602 -18.542 0.518 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -13.193 -17.528 -1.235 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.311 -18.669 -1.956 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -16.523 -19.150 -0.905 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -17.013 -18.329 0.596 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -17.019 -17.441 -0.946 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -14.128 -16.641 -3.319 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -15.776 -16.806 -2.667 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -14.641 -15.647 -1.935 1.00 0.00 H new ATOM 490 N LYS A 52 -15.483 -16.864 2.998 1.00 0.00 N ATOM 491 CA LYS A 52 -16.317 -16.892 4.208 1.00 0.00 C ATOM 492 C LYS A 52 -16.721 -15.456 4.614 1.00 0.00 C ATOM 493 O LYS A 52 -17.870 -15.204 4.966 1.00 0.00 O ATOM 494 CB LYS A 52 -15.551 -17.578 5.364 1.00 0.00 C ATOM 495 CG LYS A 52 -16.361 -17.705 6.674 1.00 0.00 C ATOM 496 CD LYS A 52 -15.515 -18.225 7.854 1.00 0.00 C ATOM 497 CE LYS A 52 -14.377 -17.259 8.235 1.00 0.00 C ATOM 498 NZ LYS A 52 -13.576 -17.771 9.371 1.00 0.00 N ATOM 0 H LYS A 52 -14.555 -17.267 3.128 1.00 0.00 H new ATOM 0 HA LYS A 52 -17.222 -17.462 3.997 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -15.245 -18.573 5.042 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.640 -17.014 5.566 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -16.778 -16.732 6.933 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -17.202 -18.379 6.511 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -16.160 -18.380 8.719 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -15.092 -19.195 7.594 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -13.728 -17.105 7.373 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -14.797 -16.288 8.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.638 -17.322 9.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -14.060 -17.549 10.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.467 -18.801 9.283 1.00 0.00 H new ATOM 512 N ASP A 53 -15.756 -14.526 4.513 1.00 0.00 N ATOM 513 CA ASP A 53 -15.959 -13.092 4.803 1.00 0.00 C ATOM 514 C ASP A 53 -16.869 -12.448 3.744 1.00 0.00 C ATOM 515 O ASP A 53 -17.785 -11.702 4.093 1.00 0.00 O ATOM 516 CB ASP A 53 -14.599 -12.343 4.862 1.00 0.00 C ATOM 517 CG ASP A 53 -14.750 -10.831 5.131 1.00 0.00 C ATOM 518 OD1 ASP A 53 -15.193 -10.459 6.237 1.00 0.00 O ATOM 519 OD2 ASP A 53 -14.397 -10.011 4.253 1.00 0.00 O ATOM 0 H ASP A 53 -14.803 -14.749 4.225 1.00 0.00 H new ATOM 0 HA ASP A 53 -16.443 -13.012 5.776 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -13.982 -12.785 5.644 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -14.071 -12.487 3.919 1.00 0.00 H new ATOM 524 N PHE A 54 -16.583 -12.758 2.454 1.00 0.00 N ATOM 525 CA PHE A 54 -17.344 -12.262 1.281 1.00 0.00 C ATOM 526 C PHE A 54 -18.861 -12.420 1.479 1.00 0.00 C ATOM 527 O PHE A 54 -19.603 -11.432 1.502 1.00 0.00 O ATOM 528 CB PHE A 54 -16.869 -12.998 -0.012 1.00 0.00 C ATOM 529 CG PHE A 54 -17.641 -12.622 -1.284 1.00 0.00 C ATOM 530 CD1 PHE A 54 -17.269 -11.521 -2.046 1.00 0.00 C ATOM 531 CD2 PHE A 54 -18.756 -13.362 -1.702 1.00 0.00 C ATOM 532 CE1 PHE A 54 -17.978 -11.175 -3.181 1.00 0.00 C ATOM 533 CE2 PHE A 54 -19.466 -13.007 -2.833 1.00 0.00 C ATOM 534 CZ PHE A 54 -19.075 -11.915 -3.573 1.00 0.00 C ATOM 0 H PHE A 54 -15.807 -13.368 2.197 1.00 0.00 H new ATOM 0 HA PHE A 54 -17.145 -11.196 1.174 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -15.812 -12.784 -0.168 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -16.956 -14.073 0.145 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -16.416 -10.929 -1.748 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -19.065 -14.224 -1.130 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -17.671 -10.320 -3.765 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -20.326 -13.586 -3.136 1.00 0.00 H new ATOM 0 HZ PHE A 54 -19.626 -11.637 -4.459 1.00 0.00 H new ATOM 544 N GLN A 55 -19.297 -13.673 1.656 1.00 0.00 N ATOM 545 CA GLN A 55 -20.721 -14.008 1.817 1.00 0.00 C ATOM 546 C GLN A 55 -21.311 -13.376 3.099 1.00 0.00 C ATOM 547 O GLN A 55 -22.503 -13.048 3.136 1.00 0.00 O ATOM 548 CB GLN A 55 -20.914 -15.547 1.803 1.00 0.00 C ATOM 549 CG GLN A 55 -20.150 -16.308 2.904 1.00 0.00 C ATOM 550 CD GLN A 55 -20.334 -17.830 2.872 1.00 0.00 C ATOM 551 OE1 GLN A 55 -19.423 -18.581 3.229 1.00 0.00 O ATOM 552 NE2 GLN A 55 -21.519 -18.299 2.504 1.00 0.00 N ATOM 0 H GLN A 55 -18.677 -14.482 1.692 1.00 0.00 H new ATOM 0 HA GLN A 55 -21.268 -13.586 0.974 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -21.977 -15.766 1.902 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -20.599 -15.929 0.832 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -19.088 -16.082 2.814 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -20.474 -15.936 3.876 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -22.255 -17.655 2.213 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -21.695 -19.304 2.512 1.00 0.00 H new ATOM 561 N THR A 56 -20.464 -13.192 4.134 1.00 0.00 N ATOM 562 CA THR A 56 -20.878 -12.562 5.404 1.00 0.00 C ATOM 563 C THR A 56 -21.169 -11.053 5.211 1.00 0.00 C ATOM 564 O THR A 56 -22.087 -10.526 5.831 1.00 0.00 O ATOM 565 CB THR A 56 -19.799 -12.771 6.519 1.00 0.00 C ATOM 566 OG1 THR A 56 -19.617 -14.176 6.758 1.00 0.00 O ATOM 567 CG2 THR A 56 -20.168 -12.075 7.844 1.00 0.00 C ATOM 0 H THR A 56 -19.484 -13.473 4.113 1.00 0.00 H new ATOM 0 HA THR A 56 -21.798 -13.050 5.725 1.00 0.00 H new ATOM 0 HB THR A 56 -18.876 -12.319 6.158 1.00 0.00 H new ATOM 0 HG1 THR A 56 -18.893 -14.513 6.190 1.00 0.00 H new ATOM 0 HG21 THR A 56 -19.384 -12.254 8.580 1.00 0.00 H new ATOM 0 HG22 THR A 56 -20.270 -11.003 7.676 1.00 0.00 H new ATOM 0 HG23 THR A 56 -21.112 -12.475 8.215 1.00 0.00 H new ATOM 575 N GLN A 57 -20.406 -10.368 4.322 1.00 0.00 N ATOM 576 CA GLN A 57 -20.588 -8.918 4.055 1.00 0.00 C ATOM 577 C GLN A 57 -21.903 -8.644 3.279 1.00 0.00 C ATOM 578 O GLN A 57 -22.375 -7.505 3.213 1.00 0.00 O ATOM 579 CB GLN A 57 -19.366 -8.341 3.290 1.00 0.00 C ATOM 580 CG GLN A 57 -17.986 -8.544 3.967 1.00 0.00 C ATOM 581 CD GLN A 57 -17.952 -8.200 5.462 1.00 0.00 C ATOM 582 OE1 GLN A 57 -17.719 -7.057 5.843 1.00 0.00 O ATOM 583 NE2 GLN A 57 -18.167 -9.196 6.316 1.00 0.00 N ATOM 0 H GLN A 57 -19.658 -10.797 3.777 1.00 0.00 H new ATOM 0 HA GLN A 57 -20.661 -8.412 5.017 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -19.334 -8.796 2.300 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -19.524 -7.272 3.145 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -17.683 -9.583 3.840 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -17.248 -7.931 3.449 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -18.358 -10.135 5.967 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -18.141 -9.021 7.321 1.00 0.00 H new ATOM 592 N SER A 58 -22.495 -9.714 2.719 1.00 0.00 N ATOM 593 CA SER A 58 -23.807 -9.669 2.047 1.00 0.00 C ATOM 594 C SER A 58 -24.979 -9.814 3.066 1.00 0.00 C ATOM 595 O SER A 58 -26.134 -10.011 2.661 1.00 0.00 O ATOM 596 CB SER A 58 -23.845 -10.796 0.982 1.00 0.00 C ATOM 597 OG SER A 58 -24.994 -10.719 0.151 1.00 0.00 O ATOM 0 H SER A 58 -22.073 -10.643 2.720 1.00 0.00 H new ATOM 0 HA SER A 58 -23.937 -8.700 1.565 1.00 0.00 H new ATOM 0 HB2 SER A 58 -22.949 -10.738 0.364 1.00 0.00 H new ATOM 0 HB3 SER A 58 -23.826 -11.765 1.482 1.00 0.00 H new ATOM 0 HG SER A 58 -24.753 -10.304 -0.703 1.00 0.00 H new ATOM 603 N LEU A 59 -24.676 -9.697 4.388 1.00 0.00 N ATOM 604 CA LEU A 59 -25.698 -9.784 5.467 1.00 0.00 C ATOM 605 C LEU A 59 -26.707 -8.617 5.382 1.00 0.00 C ATOM 606 O LEU A 59 -27.870 -8.750 5.780 1.00 0.00 O ATOM 607 CB LEU A 59 -25.035 -9.834 6.889 1.00 0.00 C ATOM 608 CG LEU A 59 -24.513 -8.486 7.529 1.00 0.00 C ATOM 609 CD1 LEU A 59 -24.040 -8.711 8.982 1.00 0.00 C ATOM 610 CD2 LEU A 59 -23.398 -7.799 6.699 1.00 0.00 C ATOM 0 H LEU A 59 -23.728 -9.542 4.732 1.00 0.00 H new ATOM 0 HA LEU A 59 -26.242 -10.717 5.317 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -25.760 -10.268 7.577 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -24.193 -10.524 6.837 1.00 0.00 H new ATOM 0 HG LEU A 59 -25.365 -7.806 7.528 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -23.686 -7.768 9.399 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -24.871 -9.084 9.581 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -23.229 -9.440 8.992 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -23.088 -6.880 7.197 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -22.544 -8.470 6.611 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -23.778 -7.563 5.705 1.00 0.00 H new ATOM 622 N THR A 60 -26.237 -7.478 4.853 1.00 0.00 N ATOM 623 CA THR A 60 -27.041 -6.266 4.688 1.00 0.00 C ATOM 624 C THR A 60 -27.749 -6.297 3.323 1.00 0.00 C ATOM 625 O THR A 60 -27.127 -6.620 2.300 1.00 0.00 O ATOM 626 CB THR A 60 -26.129 -5.003 4.814 1.00 0.00 C ATOM 627 OG1 THR A 60 -25.296 -5.133 5.981 1.00 0.00 O ATOM 628 CG2 THR A 60 -26.939 -3.690 4.912 1.00 0.00 C ATOM 0 H THR A 60 -25.277 -7.375 4.525 1.00 0.00 H new ATOM 0 HA THR A 60 -27.799 -6.221 5.470 1.00 0.00 H new ATOM 0 HB THR A 60 -25.525 -4.947 3.908 1.00 0.00 H new ATOM 0 HG1 THR A 60 -24.721 -4.343 6.062 1.00 0.00 H new ATOM 0 HG21 THR A 60 -26.255 -2.846 4.998 1.00 0.00 H new ATOM 0 HG22 THR A 60 -27.551 -3.572 4.017 1.00 0.00 H new ATOM 0 HG23 THR A 60 -27.584 -3.725 5.790 1.00 0.00 H new ATOM 636 N GLU A 61 -29.057 -5.983 3.330 1.00 0.00 N ATOM 637 CA GLU A 61 -29.890 -5.936 2.113 1.00 0.00 C ATOM 638 C GLU A 61 -29.450 -4.788 1.179 1.00 0.00 C ATOM 639 O GLU A 61 -29.650 -4.860 -0.032 1.00 0.00 O ATOM 640 CB GLU A 61 -31.407 -5.810 2.467 1.00 0.00 C ATOM 641 CG GLU A 61 -31.879 -4.458 3.063 1.00 0.00 C ATOM 642 CD GLU A 61 -31.310 -4.154 4.458 1.00 0.00 C ATOM 643 OE1 GLU A 61 -31.885 -4.630 5.462 1.00 0.00 O ATOM 644 OE2 GLU A 61 -30.280 -3.458 4.557 1.00 0.00 O ATOM 0 H GLU A 61 -29.568 -5.754 4.182 1.00 0.00 H new ATOM 0 HA GLU A 61 -29.746 -6.877 1.583 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -31.983 -6.001 1.562 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -31.656 -6.599 3.177 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -31.595 -3.655 2.383 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -32.968 -4.458 3.119 1.00 0.00 H new ATOM 651 N ASN A 62 -28.878 -3.718 1.772 1.00 0.00 N ATOM 652 CA ASN A 62 -28.245 -2.609 1.035 1.00 0.00 C ATOM 653 C ASN A 62 -26.722 -2.759 1.120 1.00 0.00 C ATOM 654 O ASN A 62 -26.091 -2.280 2.064 1.00 0.00 O ATOM 655 CB ASN A 62 -28.703 -1.238 1.598 1.00 0.00 C ATOM 656 CG ASN A 62 -30.173 -0.949 1.319 1.00 0.00 C ATOM 657 OD1 ASN A 62 -31.049 -1.294 2.107 1.00 0.00 O ATOM 658 ND2 ASN A 62 -30.460 -0.338 0.175 1.00 0.00 N ATOM 0 H ASN A 62 -28.844 -3.601 2.785 1.00 0.00 H new ATOM 0 HA ASN A 62 -28.551 -2.647 -0.010 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -28.530 -1.216 2.674 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -28.092 -0.448 1.161 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -31.431 -0.143 -0.070 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -29.709 -0.064 -0.459 1.00 0.00 H new ATOM 665 N SER A 63 -26.163 -3.489 0.155 1.00 0.00 N ATOM 666 CA SER A 63 -24.718 -3.713 0.033 1.00 0.00 C ATOM 667 C SER A 63 -24.349 -3.838 -1.452 1.00 0.00 C ATOM 668 O SER A 63 -25.232 -3.953 -2.322 1.00 0.00 O ATOM 669 CB SER A 63 -24.298 -4.991 0.812 1.00 0.00 C ATOM 670 OG SER A 63 -24.921 -6.158 0.288 1.00 0.00 O ATOM 0 H SER A 63 -26.707 -3.949 -0.575 1.00 0.00 H new ATOM 0 HA SER A 63 -24.184 -2.867 0.465 1.00 0.00 H new ATOM 0 HB2 SER A 63 -23.215 -5.105 0.766 1.00 0.00 H new ATOM 0 HB3 SER A 63 -24.562 -4.879 1.864 1.00 0.00 H new ATOM 0 HG SER A 63 -25.669 -6.417 0.866 1.00 0.00 H new ATOM 676 N ILE A 64 -23.036 -3.828 -1.737 1.00 0.00 N ATOM 677 CA ILE A 64 -22.507 -4.095 -3.089 1.00 0.00 C ATOM 678 C ILE A 64 -22.734 -5.576 -3.482 1.00 0.00 C ATOM 679 O ILE A 64 -22.761 -5.916 -4.665 1.00 0.00 O ATOM 680 CB ILE A 64 -20.970 -3.753 -3.209 1.00 0.00 C ATOM 681 CG1 ILE A 64 -20.102 -4.650 -2.264 1.00 0.00 C ATOM 682 CG2 ILE A 64 -20.709 -2.248 -2.950 1.00 0.00 C ATOM 683 CD1 ILE A 64 -18.602 -4.542 -2.468 1.00 0.00 C ATOM 0 H ILE A 64 -22.314 -3.636 -1.043 1.00 0.00 H new ATOM 0 HA ILE A 64 -23.053 -3.444 -3.772 1.00 0.00 H new ATOM 0 HB ILE A 64 -20.667 -3.973 -4.233 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -20.332 -4.390 -1.231 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -20.398 -5.690 -2.404 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -19.642 -2.043 -3.040 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -21.256 -1.653 -3.682 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -21.045 -1.988 -1.946 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -18.091 -5.201 -1.766 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -18.352 -4.834 -3.488 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -18.285 -3.513 -2.296 1.00 0.00 H new ATOM 695 N LEU A 65 -22.905 -6.442 -2.453 1.00 0.00 N ATOM 696 CA LEU A 65 -23.067 -7.902 -2.613 1.00 0.00 C ATOM 697 C LEU A 65 -24.538 -8.328 -2.487 1.00 0.00 C ATOM 698 O LEU A 65 -24.837 -9.519 -2.515 1.00 0.00 O ATOM 699 CB LEU A 65 -22.191 -8.638 -1.563 1.00 0.00 C ATOM 700 CG LEU A 65 -20.680 -8.265 -1.573 1.00 0.00 C ATOM 701 CD1 LEU A 65 -19.887 -9.072 -0.530 1.00 0.00 C ATOM 702 CD2 LEU A 65 -20.085 -8.407 -2.990 1.00 0.00 C ATOM 0 H LEU A 65 -22.934 -6.139 -1.479 1.00 0.00 H new ATOM 0 HA LEU A 65 -22.739 -8.176 -3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -22.592 -8.431 -0.571 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -22.284 -9.712 -1.726 1.00 0.00 H new ATOM 0 HG LEU A 65 -20.594 -7.217 -1.287 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -18.837 -8.783 -0.568 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -20.283 -8.869 0.465 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -19.979 -10.136 -0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -19.028 -8.140 -2.969 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -20.193 -9.438 -3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -20.613 -7.743 -3.675 1.00 0.00 H new ATOM 714 N ALA A 66 -25.452 -7.343 -2.372 1.00 0.00 N ATOM 715 CA ALA A 66 -26.917 -7.587 -2.373 1.00 0.00 C ATOM 716 C ALA A 66 -27.376 -8.165 -3.732 1.00 0.00 C ATOM 717 O ALA A 66 -28.346 -8.927 -3.808 1.00 0.00 O ATOM 718 CB ALA A 66 -27.671 -6.285 -2.055 1.00 0.00 C ATOM 0 H ALA A 66 -25.201 -6.359 -2.276 1.00 0.00 H new ATOM 0 HA ALA A 66 -27.146 -8.321 -1.600 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -28.744 -6.476 -2.058 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -27.370 -5.921 -1.073 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -27.434 -5.534 -2.808 1.00 0.00 H new ATOM 724 N GLN A 67 -26.645 -7.773 -4.794 1.00 0.00 N ATOM 725 CA GLN A 67 -26.835 -8.284 -6.169 1.00 0.00 C ATOM 726 C GLN A 67 -26.168 -9.672 -6.345 1.00 0.00 C ATOM 727 O GLN A 67 -26.557 -10.450 -7.219 1.00 0.00 O ATOM 728 CB GLN A 67 -26.256 -7.263 -7.194 1.00 0.00 C ATOM 729 CG GLN A 67 -24.757 -6.961 -7.007 1.00 0.00 C ATOM 730 CD GLN A 67 -24.199 -5.922 -7.984 1.00 0.00 C ATOM 731 OE1 GLN A 67 -23.762 -6.264 -9.080 1.00 0.00 O ATOM 732 NE2 GLN A 67 -24.185 -4.656 -7.582 1.00 0.00 N ATOM 0 H GLN A 67 -25.896 -7.084 -4.722 1.00 0.00 H new ATOM 0 HA GLN A 67 -27.903 -8.405 -6.351 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -26.415 -7.647 -8.202 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -26.815 -6.331 -7.117 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -24.593 -6.610 -5.988 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -24.194 -7.888 -7.119 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -24.556 -4.408 -6.665 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -23.803 -3.932 -8.190 1.00 0.00 H new ATOM 741 N PHE A 68 -25.161 -9.964 -5.500 1.00 0.00 N ATOM 742 CA PHE A 68 -24.370 -11.219 -5.546 1.00 0.00 C ATOM 743 C PHE A 68 -24.860 -12.247 -4.495 1.00 0.00 C ATOM 744 O PHE A 68 -24.314 -13.356 -4.403 1.00 0.00 O ATOM 745 CB PHE A 68 -22.868 -10.879 -5.318 1.00 0.00 C ATOM 746 CG PHE A 68 -22.236 -10.038 -6.433 1.00 0.00 C ATOM 747 CD1 PHE A 68 -22.168 -10.532 -7.736 1.00 0.00 C ATOM 748 CD2 PHE A 68 -21.707 -8.770 -6.189 1.00 0.00 C ATOM 749 CE1 PHE A 68 -21.599 -9.788 -8.752 1.00 0.00 C ATOM 750 CE2 PHE A 68 -21.137 -8.023 -7.209 1.00 0.00 C ATOM 751 CZ PHE A 68 -21.085 -8.534 -8.490 1.00 0.00 C ATOM 0 H PHE A 68 -24.867 -9.331 -4.756 1.00 0.00 H new ATOM 0 HA PHE A 68 -24.502 -11.678 -6.526 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -22.768 -10.344 -4.374 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -22.308 -11.809 -5.218 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -22.567 -11.512 -7.954 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -21.742 -8.364 -5.189 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -21.556 -10.189 -9.754 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -20.734 -7.043 -7.001 1.00 0.00 H new ATOM 0 HZ PHE A 68 -20.643 -7.954 -9.286 1.00 0.00 H new ATOM 761 N ALA A 69 -25.902 -11.868 -3.725 1.00 0.00 N ATOM 762 CA ALA A 69 -26.482 -12.708 -2.653 1.00 0.00 C ATOM 763 C ALA A 69 -27.209 -13.949 -3.223 1.00 0.00 C ATOM 764 O ALA A 69 -27.380 -14.951 -2.524 1.00 0.00 O ATOM 765 CB ALA A 69 -27.451 -11.868 -1.808 1.00 0.00 C ATOM 0 H ALA A 69 -26.368 -10.966 -3.829 1.00 0.00 H new ATOM 0 HA ALA A 69 -25.665 -13.068 -2.028 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -27.877 -12.488 -1.019 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -26.913 -11.032 -1.362 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -28.251 -11.488 -2.443 1.00 0.00 H new ATOM 771 N GLY A 70 -27.640 -13.864 -4.499 1.00 0.00 N ATOM 772 CA GLY A 70 -28.340 -14.968 -5.178 1.00 0.00 C ATOM 773 C GLY A 70 -27.443 -15.747 -6.130 1.00 0.00 C ATOM 774 O GLY A 70 -27.933 -16.413 -7.045 1.00 0.00 O ATOM 0 H GLY A 70 -27.513 -13.036 -5.080 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -28.744 -15.649 -4.429 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -29.187 -14.566 -5.733 1.00 0.00 H new ATOM 778 N GLU A 71 -26.124 -15.707 -5.878 1.00 0.00 N ATOM 779 CA GLU A 71 -25.098 -16.328 -6.741 1.00 0.00 C ATOM 780 C GLU A 71 -24.062 -17.067 -5.867 1.00 0.00 C ATOM 781 O GLU A 71 -23.947 -16.780 -4.666 1.00 0.00 O ATOM 782 CB GLU A 71 -24.437 -15.204 -7.610 1.00 0.00 C ATOM 783 CG GLU A 71 -23.364 -15.663 -8.627 1.00 0.00 C ATOM 784 CD GLU A 71 -23.874 -16.695 -9.649 1.00 0.00 C ATOM 785 OE1 GLU A 71 -24.602 -16.307 -10.590 1.00 0.00 O ATOM 786 OE2 GLU A 71 -23.558 -17.900 -9.514 1.00 0.00 O ATOM 0 H GLU A 71 -25.733 -15.238 -5.061 1.00 0.00 H new ATOM 0 HA GLU A 71 -25.544 -17.066 -7.408 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -25.225 -14.686 -8.156 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -23.982 -14.476 -6.939 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -22.988 -14.791 -9.162 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -22.521 -16.090 -8.083 1.00 0.00 H new ATOM 793 N ASP A 72 -23.331 -18.035 -6.480 1.00 0.00 N ATOM 794 CA ASP A 72 -22.210 -18.759 -5.835 1.00 0.00 C ATOM 795 C ASP A 72 -21.157 -17.749 -5.335 1.00 0.00 C ATOM 796 O ASP A 72 -20.731 -16.911 -6.119 1.00 0.00 O ATOM 797 CB ASP A 72 -21.555 -19.738 -6.847 1.00 0.00 C ATOM 798 CG ASP A 72 -20.359 -20.521 -6.251 1.00 0.00 C ATOM 799 OD1 ASP A 72 -20.580 -21.588 -5.636 1.00 0.00 O ATOM 800 OD2 ASP A 72 -19.198 -20.069 -6.388 1.00 0.00 O ATOM 0 H ASP A 72 -23.506 -18.334 -7.439 1.00 0.00 H new ATOM 0 HA ASP A 72 -22.596 -19.328 -4.989 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -22.307 -20.446 -7.196 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -21.216 -19.177 -7.718 1.00 0.00 H new ATOM 805 N PRO A 73 -20.703 -17.833 -4.043 1.00 0.00 N ATOM 806 CA PRO A 73 -19.845 -16.785 -3.423 1.00 0.00 C ATOM 807 C PRO A 73 -18.486 -16.569 -4.146 1.00 0.00 C ATOM 808 O PRO A 73 -17.966 -15.447 -4.166 1.00 0.00 O ATOM 809 CB PRO A 73 -19.656 -17.294 -1.965 1.00 0.00 C ATOM 810 CG PRO A 73 -19.898 -18.772 -2.045 1.00 0.00 C ATOM 811 CD PRO A 73 -20.982 -18.940 -3.083 1.00 0.00 C ATOM 0 HA PRO A 73 -20.308 -15.800 -3.485 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -18.654 -17.076 -1.596 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -20.358 -16.814 -1.283 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -18.991 -19.304 -2.333 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -20.211 -19.173 -1.081 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -20.930 -19.916 -3.566 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -21.977 -18.853 -2.645 1.00 0.00 H new ATOM 819 N VAL A 74 -17.924 -17.642 -4.747 1.00 0.00 N ATOM 820 CA VAL A 74 -16.650 -17.551 -5.491 1.00 0.00 C ATOM 821 C VAL A 74 -16.880 -16.873 -6.854 1.00 0.00 C ATOM 822 O VAL A 74 -16.235 -15.871 -7.159 1.00 0.00 O ATOM 823 CB VAL A 74 -15.949 -18.949 -5.683 1.00 0.00 C ATOM 824 CG1 VAL A 74 -14.554 -18.784 -6.343 1.00 0.00 C ATOM 825 CG2 VAL A 74 -15.840 -19.708 -4.332 1.00 0.00 C ATOM 0 H VAL A 74 -18.332 -18.577 -4.731 1.00 0.00 H new ATOM 0 HA VAL A 74 -15.974 -16.944 -4.889 1.00 0.00 H new ATOM 0 HB VAL A 74 -16.568 -19.546 -6.352 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -14.091 -19.763 -6.465 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -14.667 -18.312 -7.319 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -13.923 -18.160 -5.709 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -15.352 -20.669 -4.493 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -15.253 -19.117 -3.629 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -16.838 -19.871 -3.925 1.00 0.00 H new ATOM 835 N VAL A 75 -17.846 -17.408 -7.629 1.00 0.00 N ATOM 836 CA VAL A 75 -18.173 -16.915 -8.998 1.00 0.00 C ATOM 837 C VAL A 75 -18.647 -15.442 -8.967 1.00 0.00 C ATOM 838 O VAL A 75 -18.322 -14.641 -9.857 1.00 0.00 O ATOM 839 CB VAL A 75 -19.269 -17.818 -9.688 1.00 0.00 C ATOM 840 CG1 VAL A 75 -19.630 -17.309 -11.117 1.00 0.00 C ATOM 841 CG2 VAL A 75 -18.813 -19.301 -9.717 1.00 0.00 C ATOM 0 H VAL A 75 -18.425 -18.193 -7.331 1.00 0.00 H new ATOM 0 HA VAL A 75 -17.257 -16.973 -9.586 1.00 0.00 H new ATOM 0 HB VAL A 75 -20.178 -17.749 -9.090 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -20.387 -17.960 -11.554 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -20.018 -16.292 -11.054 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -18.738 -17.319 -11.743 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -19.581 -19.908 -10.196 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -17.882 -19.384 -10.278 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -18.655 -19.653 -8.698 1.00 0.00 H new ATOM 851 N ALA A 76 -19.383 -15.112 -7.897 1.00 0.00 N ATOM 852 CA ALA A 76 -19.913 -13.762 -7.632 1.00 0.00 C ATOM 853 C ALA A 76 -18.779 -12.770 -7.345 1.00 0.00 C ATOM 854 O ALA A 76 -18.848 -11.604 -7.734 1.00 0.00 O ATOM 855 CB ALA A 76 -20.887 -13.806 -6.444 1.00 0.00 C ATOM 0 H ALA A 76 -19.633 -15.788 -7.175 1.00 0.00 H new ATOM 0 HA ALA A 76 -20.443 -13.423 -8.522 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -21.275 -12.805 -6.254 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -21.714 -14.477 -6.676 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -20.364 -14.167 -5.558 1.00 0.00 H new ATOM 861 N LEU A 77 -17.744 -13.259 -6.640 1.00 0.00 N ATOM 862 CA LEU A 77 -16.537 -12.480 -6.327 1.00 0.00 C ATOM 863 C LEU A 77 -15.718 -12.200 -7.602 1.00 0.00 C ATOM 864 O LEU A 77 -15.183 -11.104 -7.765 1.00 0.00 O ATOM 865 CB LEU A 77 -15.688 -13.228 -5.269 1.00 0.00 C ATOM 866 CG LEU A 77 -14.315 -12.594 -4.880 1.00 0.00 C ATOM 867 CD1 LEU A 77 -14.443 -11.124 -4.412 1.00 0.00 C ATOM 868 CD2 LEU A 77 -13.620 -13.458 -3.817 1.00 0.00 C ATOM 0 H LEU A 77 -17.723 -14.210 -6.271 1.00 0.00 H new ATOM 0 HA LEU A 77 -16.837 -11.517 -5.913 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -16.285 -13.324 -4.362 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.502 -14.237 -5.636 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.700 -12.571 -5.780 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.457 -10.737 -4.155 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -14.871 -10.523 -5.214 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -15.091 -11.076 -3.537 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -12.663 -13.009 -3.552 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -14.250 -13.520 -2.930 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -13.453 -14.459 -4.214 1.00 0.00 H new ATOM 880 N GLU A 78 -15.652 -13.196 -8.504 1.00 0.00 N ATOM 881 CA GLU A 78 -14.949 -13.070 -9.802 1.00 0.00 C ATOM 882 C GLU A 78 -15.655 -12.021 -10.686 1.00 0.00 C ATOM 883 O GLU A 78 -15.004 -11.181 -11.319 1.00 0.00 O ATOM 884 CB GLU A 78 -14.891 -14.446 -10.517 1.00 0.00 C ATOM 885 CG GLU A 78 -14.281 -15.562 -9.656 1.00 0.00 C ATOM 886 CD GLU A 78 -14.085 -16.887 -10.401 1.00 0.00 C ATOM 887 OE1 GLU A 78 -15.065 -17.650 -10.556 1.00 0.00 O ATOM 888 OE2 GLU A 78 -12.956 -17.159 -10.859 1.00 0.00 O ATOM 0 H GLU A 78 -16.082 -14.110 -8.358 1.00 0.00 H new ATOM 0 HA GLU A 78 -13.927 -12.737 -9.622 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.900 -14.736 -10.811 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.308 -14.346 -11.433 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.317 -15.226 -9.273 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.924 -15.734 -8.793 1.00 0.00 H new ATOM 895 N ALA A 79 -16.999 -12.069 -10.666 1.00 0.00 N ATOM 896 CA ALA A 79 -17.868 -11.101 -11.360 1.00 0.00 C ATOM 897 C ALA A 79 -17.731 -9.699 -10.734 1.00 0.00 C ATOM 898 O ALA A 79 -17.821 -8.689 -11.431 1.00 0.00 O ATOM 899 CB ALA A 79 -19.334 -11.581 -11.307 1.00 0.00 C ATOM 0 H ALA A 79 -17.518 -12.788 -10.162 1.00 0.00 H new ATOM 0 HA ALA A 79 -17.557 -11.035 -12.403 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -19.971 -10.862 -11.821 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -19.417 -12.552 -11.794 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -19.651 -11.668 -10.268 1.00 0.00 H new ATOM 905 N ALA A 80 -17.503 -9.667 -9.406 1.00 0.00 N ATOM 906 CA ALA A 80 -17.321 -8.422 -8.632 1.00 0.00 C ATOM 907 C ALA A 80 -15.973 -7.748 -8.949 1.00 0.00 C ATOM 908 O ALA A 80 -15.875 -6.517 -8.967 1.00 0.00 O ATOM 909 CB ALA A 80 -17.443 -8.711 -7.127 1.00 0.00 C ATOM 0 H ALA A 80 -17.439 -10.510 -8.836 1.00 0.00 H new ATOM 0 HA ALA A 80 -18.109 -7.727 -8.924 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -17.307 -7.786 -6.567 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -18.430 -9.122 -6.914 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -16.679 -9.430 -6.831 1.00 0.00 H new ATOM 915 N LEU A 81 -14.939 -8.572 -9.203 1.00 0.00 N ATOM 916 CA LEU A 81 -13.604 -8.090 -9.616 1.00 0.00 C ATOM 917 C LEU A 81 -13.677 -7.467 -11.013 1.00 0.00 C ATOM 918 O LEU A 81 -13.058 -6.437 -11.287 1.00 0.00 O ATOM 919 CB LEU A 81 -12.582 -9.259 -9.607 1.00 0.00 C ATOM 920 CG LEU A 81 -12.270 -9.872 -8.209 1.00 0.00 C ATOM 921 CD1 LEU A 81 -11.364 -11.111 -8.331 1.00 0.00 C ATOM 922 CD2 LEU A 81 -11.665 -8.815 -7.265 1.00 0.00 C ATOM 0 H LEU A 81 -15.003 -9.587 -9.129 1.00 0.00 H new ATOM 0 HA LEU A 81 -13.273 -7.331 -8.907 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.958 -10.051 -10.255 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.649 -8.905 -10.045 1.00 0.00 H new ATOM 0 HG LEU A 81 -13.211 -10.203 -7.770 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.165 -11.515 -7.339 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -11.862 -11.867 -8.938 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.423 -10.829 -8.803 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.457 -9.269 -6.296 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.739 -8.432 -7.693 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -12.371 -7.995 -7.137 1.00 0.00 H new ATOM 934 N GLN A 82 -14.453 -8.120 -11.893 1.00 0.00 N ATOM 935 CA GLN A 82 -14.688 -7.641 -13.262 1.00 0.00 C ATOM 936 C GLN A 82 -15.634 -6.424 -13.273 1.00 0.00 C ATOM 937 O GLN A 82 -15.585 -5.612 -14.201 1.00 0.00 O ATOM 938 CB GLN A 82 -15.243 -8.788 -14.153 1.00 0.00 C ATOM 939 CG GLN A 82 -14.328 -10.036 -14.256 1.00 0.00 C ATOM 940 CD GLN A 82 -12.988 -9.829 -14.995 1.00 0.00 C ATOM 941 OE1 GLN A 82 -12.389 -8.752 -14.989 1.00 0.00 O ATOM 942 NE2 GLN A 82 -12.492 -10.885 -15.621 1.00 0.00 N ATOM 0 H GLN A 82 -14.934 -8.993 -11.675 1.00 0.00 H new ATOM 0 HA GLN A 82 -13.733 -7.318 -13.676 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -16.212 -9.097 -13.760 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -15.415 -8.398 -15.156 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -14.114 -10.390 -13.248 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -14.881 -10.828 -14.761 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -13.003 -11.768 -15.615 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -11.599 -10.816 -16.109 1.00 0.00 H new ATOM 951 N PHE A 83 -16.480 -6.302 -12.231 1.00 0.00 N ATOM 952 CA PHE A 83 -17.422 -5.183 -12.099 1.00 0.00 C ATOM 953 C PHE A 83 -16.683 -3.938 -11.568 1.00 0.00 C ATOM 954 O PHE A 83 -16.220 -3.913 -10.424 1.00 0.00 O ATOM 955 CB PHE A 83 -18.608 -5.570 -11.173 1.00 0.00 C ATOM 956 CG PHE A 83 -19.802 -4.606 -11.168 1.00 0.00 C ATOM 957 CD1 PHE A 83 -20.017 -3.687 -12.203 1.00 0.00 C ATOM 958 CD2 PHE A 83 -20.736 -4.643 -10.132 1.00 0.00 C ATOM 959 CE1 PHE A 83 -21.109 -2.841 -12.192 1.00 0.00 C ATOM 960 CE2 PHE A 83 -21.825 -3.793 -10.124 1.00 0.00 C ATOM 961 CZ PHE A 83 -22.012 -2.896 -11.153 1.00 0.00 C ATOM 0 H PHE A 83 -16.527 -6.973 -11.465 1.00 0.00 H new ATOM 0 HA PHE A 83 -17.834 -4.948 -13.080 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -18.965 -6.557 -11.467 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -18.233 -5.657 -10.153 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -19.317 -3.639 -13.024 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -20.606 -5.347 -9.324 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -21.255 -2.137 -12.998 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -22.532 -3.832 -9.309 1.00 0.00 H new ATOM 0 HZ PHE A 83 -22.867 -2.236 -11.145 1.00 0.00 H new ATOM 971 N GLU A 84 -16.621 -2.915 -12.430 1.00 0.00 N ATOM 972 CA GLU A 84 -15.925 -1.634 -12.197 1.00 0.00 C ATOM 973 C GLU A 84 -16.377 -0.932 -10.902 1.00 0.00 C ATOM 974 O GLU A 84 -15.588 -0.216 -10.267 1.00 0.00 O ATOM 975 CB GLU A 84 -16.163 -0.726 -13.428 1.00 0.00 C ATOM 976 CG GLU A 84 -17.661 -0.464 -13.742 1.00 0.00 C ATOM 977 CD GLU A 84 -17.893 0.124 -15.139 1.00 0.00 C ATOM 978 OE1 GLU A 84 -17.872 1.361 -15.294 1.00 0.00 O ATOM 979 OE2 GLU A 84 -18.095 -0.657 -16.096 1.00 0.00 O ATOM 0 H GLU A 84 -17.070 -2.954 -13.345 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.862 -1.836 -12.067 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.665 0.229 -13.263 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -15.695 -1.183 -14.300 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -18.213 -1.400 -13.653 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -18.068 0.218 -12.996 1.00 0.00 H new ATOM 986 N ASP A 85 -17.642 -1.164 -10.519 1.00 0.00 N ATOM 987 CA ASP A 85 -18.225 -0.611 -9.295 1.00 0.00 C ATOM 988 C ASP A 85 -17.625 -1.286 -8.050 1.00 0.00 C ATOM 989 O ASP A 85 -17.021 -0.618 -7.224 1.00 0.00 O ATOM 990 CB ASP A 85 -19.767 -0.772 -9.310 1.00 0.00 C ATOM 991 CG ASP A 85 -20.459 -0.267 -8.025 1.00 0.00 C ATOM 992 OD1 ASP A 85 -20.629 0.957 -7.872 1.00 0.00 O ATOM 993 OD2 ASP A 85 -20.839 -1.092 -7.166 1.00 0.00 O ATOM 0 H ASP A 85 -18.289 -1.743 -11.054 1.00 0.00 H new ATOM 0 HA ASP A 85 -17.987 0.452 -9.253 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -20.171 -0.231 -10.166 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -20.012 -1.824 -9.454 1.00 0.00 H new ATOM 998 N THR A 86 -17.769 -2.619 -7.967 1.00 0.00 N ATOM 999 CA THR A 86 -17.525 -3.395 -6.729 1.00 0.00 C ATOM 1000 C THR A 86 -16.054 -3.841 -6.559 1.00 0.00 C ATOM 1001 O THR A 86 -15.670 -4.292 -5.470 1.00 0.00 O ATOM 1002 CB THR A 86 -18.462 -4.651 -6.710 1.00 0.00 C ATOM 1003 OG1 THR A 86 -18.236 -5.445 -7.879 1.00 0.00 O ATOM 1004 CG2 THR A 86 -19.947 -4.262 -6.678 1.00 0.00 C ATOM 0 H THR A 86 -18.059 -3.195 -8.757 1.00 0.00 H new ATOM 0 HA THR A 86 -17.746 -2.732 -5.893 1.00 0.00 H new ATOM 0 HB THR A 86 -18.225 -5.211 -5.805 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.293 -5.711 -7.917 1.00 0.00 H new ATOM 0 HG21 THR A 86 -20.559 -5.164 -6.666 1.00 0.00 H new ATOM 0 HG22 THR A 86 -20.150 -3.674 -5.783 1.00 0.00 H new ATOM 0 HG23 THR A 86 -20.188 -3.672 -7.562 1.00 0.00 H new ATOM 1012 N ARG A 87 -15.236 -3.684 -7.620 1.00 0.00 N ATOM 1013 CA ARG A 87 -13.847 -4.221 -7.663 1.00 0.00 C ATOM 1014 C ARG A 87 -12.935 -3.535 -6.634 1.00 0.00 C ATOM 1015 O ARG A 87 -12.018 -4.153 -6.080 1.00 0.00 O ATOM 1016 CB ARG A 87 -13.243 -4.044 -9.079 1.00 0.00 C ATOM 1017 CG ARG A 87 -13.146 -2.577 -9.545 1.00 0.00 C ATOM 1018 CD ARG A 87 -12.480 -2.421 -10.917 1.00 0.00 C ATOM 1019 NE ARG A 87 -12.420 -1.002 -11.321 1.00 0.00 N ATOM 1020 CZ ARG A 87 -11.593 -0.489 -12.244 1.00 0.00 C ATOM 1021 NH1 ARG A 87 -10.727 -1.255 -12.904 1.00 0.00 N ATOM 1022 NH2 ARG A 87 -11.642 0.801 -12.511 1.00 0.00 N ATOM 0 H ARG A 87 -15.510 -3.187 -8.468 1.00 0.00 H new ATOM 0 HA ARG A 87 -13.906 -5.281 -7.415 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -12.246 -4.485 -9.095 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -13.850 -4.601 -9.793 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -14.147 -2.148 -9.584 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -12.582 -2.005 -8.808 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -11.473 -2.836 -10.885 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -13.036 -2.991 -11.661 1.00 0.00 H new ATOM 0 HE ARG A 87 -13.062 -0.357 -10.859 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.682 -2.256 -12.712 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.108 -0.841 -13.601 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -12.305 1.399 -12.017 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.017 1.201 -13.211 1.00 0.00 H new ATOM 1036 N GLU A 88 -13.225 -2.254 -6.379 1.00 0.00 N ATOM 1037 CA GLU A 88 -12.399 -1.378 -5.534 1.00 0.00 C ATOM 1038 C GLU A 88 -12.514 -1.757 -4.045 1.00 0.00 C ATOM 1039 O GLU A 88 -11.568 -1.570 -3.288 1.00 0.00 O ATOM 1040 CB GLU A 88 -12.753 0.123 -5.804 1.00 0.00 C ATOM 1041 CG GLU A 88 -14.256 0.441 -6.009 1.00 0.00 C ATOM 1042 CD GLU A 88 -15.119 0.257 -4.752 1.00 0.00 C ATOM 1043 OE1 GLU A 88 -15.047 1.105 -3.839 1.00 0.00 O ATOM 1044 OE2 GLU A 88 -15.858 -0.747 -4.658 1.00 0.00 O ATOM 0 H GLU A 88 -14.050 -1.789 -6.758 1.00 0.00 H new ATOM 0 HA GLU A 88 -11.352 -1.520 -5.801 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.387 0.718 -4.967 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -12.209 0.450 -6.690 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -14.354 1.470 -6.355 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -14.646 -0.199 -6.800 1.00 0.00 H new ATOM 1051 N SER A 89 -13.682 -2.308 -3.652 1.00 0.00 N ATOM 1052 CA SER A 89 -13.946 -2.769 -2.270 1.00 0.00 C ATOM 1053 C SER A 89 -13.215 -4.097 -1.981 1.00 0.00 C ATOM 1054 O SER A 89 -12.887 -4.402 -0.825 1.00 0.00 O ATOM 1055 CB SER A 89 -15.466 -2.934 -2.050 1.00 0.00 C ATOM 1056 OG SER A 89 -15.780 -3.319 -0.717 1.00 0.00 O ATOM 0 H SER A 89 -14.470 -2.446 -4.284 1.00 0.00 H new ATOM 0 HA SER A 89 -13.566 -2.017 -1.578 1.00 0.00 H new ATOM 0 HB2 SER A 89 -15.969 -1.995 -2.283 1.00 0.00 H new ATOM 0 HB3 SER A 89 -15.852 -3.682 -2.742 1.00 0.00 H new ATOM 0 HG SER A 89 -16.751 -3.410 -0.623 1.00 0.00 H new ATOM 1062 N MET A 90 -12.915 -4.849 -3.060 1.00 0.00 N ATOM 1063 CA MET A 90 -12.268 -6.180 -2.984 1.00 0.00 C ATOM 1064 C MET A 90 -10.769 -6.093 -2.632 1.00 0.00 C ATOM 1065 O MET A 90 -10.094 -7.122 -2.516 1.00 0.00 O ATOM 1066 CB MET A 90 -12.498 -6.945 -4.304 1.00 0.00 C ATOM 1067 CG MET A 90 -13.982 -7.163 -4.615 1.00 0.00 C ATOM 1068 SD MET A 90 -14.833 -7.936 -3.224 1.00 0.00 S ATOM 1069 CE MET A 90 -16.543 -7.731 -3.684 1.00 0.00 C ATOM 0 H MET A 90 -13.115 -4.550 -4.015 1.00 0.00 H new ATOM 0 HA MET A 90 -12.733 -6.732 -2.167 1.00 0.00 H new ATOM 0 HB2 MET A 90 -12.037 -6.393 -5.123 1.00 0.00 H new ATOM 0 HB3 MET A 90 -11.997 -7.912 -4.250 1.00 0.00 H new ATOM 0 HG2 MET A 90 -14.452 -6.207 -4.847 1.00 0.00 H new ATOM 0 HG3 MET A 90 -14.082 -7.791 -5.501 1.00 0.00 H new ATOM 0 HE1 MET A 90 -17.156 -7.666 -2.785 1.00 0.00 H new ATOM 0 HE2 MET A 90 -16.656 -6.817 -4.267 1.00 0.00 H new ATOM 0 HE3 MET A 90 -16.864 -8.585 -4.281 1.00 0.00 H new ATOM 1079 N HIS A 91 -10.269 -4.855 -2.440 1.00 0.00 N ATOM 1080 CA HIS A 91 -8.917 -4.593 -1.908 1.00 0.00 C ATOM 1081 C HIS A 91 -8.786 -5.119 -0.457 1.00 0.00 C ATOM 1082 O HIS A 91 -7.703 -5.529 -0.028 1.00 0.00 O ATOM 1083 CB HIS A 91 -8.595 -3.063 -1.977 1.00 0.00 C ATOM 1084 CG HIS A 91 -9.202 -2.200 -0.879 1.00 0.00 C ATOM 1085 ND1 HIS A 91 -8.437 -1.477 0.017 1.00 0.00 N ATOM 1086 CD2 HIS A 91 -10.491 -1.951 -0.537 1.00 0.00 C ATOM 1087 CE1 HIS A 91 -9.228 -0.835 0.853 1.00 0.00 C ATOM 1088 NE2 HIS A 91 -10.472 -1.104 0.536 1.00 0.00 N ATOM 0 H HIS A 91 -10.794 -4.006 -2.651 1.00 0.00 H new ATOM 0 HA HIS A 91 -8.193 -5.126 -2.524 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -7.512 -2.939 -1.952 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -8.937 -2.684 -2.940 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -11.370 -2.348 -1.023 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -8.906 -0.196 1.662 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -11.295 -0.739 1.015 1.00 0.00 H new ATOM 1097 N ALA A 92 -9.921 -5.091 0.276 1.00 0.00 N ATOM 1098 CA ALA A 92 -10.014 -5.544 1.677 1.00 0.00 C ATOM 1099 C ALA A 92 -10.126 -7.075 1.756 1.00 0.00 C ATOM 1100 O ALA A 92 -9.681 -7.690 2.727 1.00 0.00 O ATOM 1101 CB ALA A 92 -11.228 -4.886 2.357 1.00 0.00 C ATOM 0 H ALA A 92 -10.807 -4.749 -0.095 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.104 -5.246 2.197 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -11.293 -5.223 3.391 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.114 -3.802 2.335 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.138 -5.166 1.826 1.00 0.00 H new ATOM 1107 N PHE A 93 -10.749 -7.675 0.728 1.00 0.00 N ATOM 1108 CA PHE A 93 -10.945 -9.138 0.633 1.00 0.00 C ATOM 1109 C PHE A 93 -9.668 -9.826 0.106 1.00 0.00 C ATOM 1110 O PHE A 93 -9.445 -11.012 0.368 1.00 0.00 O ATOM 1111 CB PHE A 93 -12.146 -9.441 -0.302 1.00 0.00 C ATOM 1112 CG PHE A 93 -13.483 -8.865 0.181 1.00 0.00 C ATOM 1113 CD1 PHE A 93 -13.791 -7.514 0.011 1.00 0.00 C ATOM 1114 CD2 PHE A 93 -14.425 -9.669 0.816 1.00 0.00 C ATOM 1115 CE1 PHE A 93 -14.993 -6.990 0.444 1.00 0.00 C ATOM 1116 CE2 PHE A 93 -15.626 -9.139 1.248 1.00 0.00 C ATOM 1117 CZ PHE A 93 -15.908 -7.807 1.064 1.00 0.00 C ATOM 0 H PHE A 93 -11.133 -7.161 -0.065 1.00 0.00 H new ATOM 0 HA PHE A 93 -11.155 -9.531 1.628 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -11.929 -9.043 -1.293 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -12.246 -10.521 -0.407 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -13.074 -6.865 -0.469 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -14.215 -10.717 0.973 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -15.213 -5.943 0.296 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -16.349 -9.777 1.734 1.00 0.00 H new ATOM 0 HZ PHE A 93 -16.849 -7.402 1.407 1.00 0.00 H new ATOM 1127 N CYS A 94 -8.844 -9.060 -0.641 1.00 0.00 N ATOM 1128 CA CYS A 94 -7.556 -9.530 -1.164 1.00 0.00 C ATOM 1129 C CYS A 94 -6.513 -9.499 -0.045 1.00 0.00 C ATOM 1130 O CYS A 94 -6.113 -8.422 0.414 1.00 0.00 O ATOM 1131 CB CYS A 94 -7.099 -8.663 -2.359 1.00 0.00 C ATOM 1132 SG CYS A 94 -5.568 -9.229 -3.132 1.00 0.00 S ATOM 0 H CYS A 94 -9.060 -8.096 -0.896 1.00 0.00 H new ATOM 0 HA CYS A 94 -7.669 -10.554 -1.521 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -7.890 -8.650 -3.109 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -6.965 -7.636 -2.020 1.00 0.00 H new ATOM 0 HG CYS A 94 -4.634 -9.318 -2.232 1.00 0.00 H new ATOM 1138 N VAL A 95 -6.121 -10.694 0.426 1.00 0.00 N ATOM 1139 CA VAL A 95 -5.090 -10.850 1.469 1.00 0.00 C ATOM 1140 C VAL A 95 -3.672 -10.705 0.857 1.00 0.00 C ATOM 1141 O VAL A 95 -2.702 -10.428 1.570 1.00 0.00 O ATOM 1142 CB VAL A 95 -5.261 -12.226 2.233 1.00 0.00 C ATOM 1143 CG1 VAL A 95 -4.996 -13.440 1.310 1.00 0.00 C ATOM 1144 CG2 VAL A 95 -4.406 -12.293 3.533 1.00 0.00 C ATOM 0 H VAL A 95 -6.508 -11.578 0.096 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.217 -10.055 2.204 1.00 0.00 H new ATOM 0 HB VAL A 95 -6.305 -12.279 2.541 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -5.125 -14.362 1.876 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.699 -13.424 0.477 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.977 -13.389 0.926 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.559 -13.256 4.020 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.352 -12.177 3.282 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.708 -11.493 4.209 1.00 0.00 H new ATOM 1154 N GLY A 96 -3.574 -10.879 -0.480 1.00 0.00 N ATOM 1155 CA GLY A 96 -2.317 -10.699 -1.206 1.00 0.00 C ATOM 1156 C GLY A 96 -2.280 -11.489 -2.505 1.00 0.00 C ATOM 1157 O GLY A 96 -3.328 -11.808 -3.073 1.00 0.00 O ATOM 0 H GLY A 96 -4.361 -11.145 -1.072 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -2.174 -9.640 -1.423 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.487 -11.009 -0.572 1.00 0.00 H new ATOM 1161 N GLN A 97 -1.056 -11.778 -2.966 1.00 0.00 N ATOM 1162 CA GLN A 97 -0.778 -12.625 -4.140 1.00 0.00 C ATOM 1163 C GLN A 97 -0.906 -14.109 -3.797 1.00 0.00 C ATOM 1164 O GLN A 97 -0.939 -14.485 -2.632 1.00 0.00 O ATOM 1165 CB GLN A 97 0.667 -12.364 -4.658 1.00 0.00 C ATOM 1166 CG GLN A 97 0.905 -10.992 -5.298 1.00 0.00 C ATOM 1167 CD GLN A 97 0.108 -10.794 -6.579 1.00 0.00 C ATOM 1168 OE1 GLN A 97 -0.994 -10.276 -6.553 1.00 0.00 O ATOM 1169 NE2 GLN A 97 0.639 -11.254 -7.699 1.00 0.00 N ATOM 0 H GLN A 97 -0.209 -11.422 -2.524 1.00 0.00 H new ATOM 0 HA GLN A 97 -1.509 -12.370 -4.907 1.00 0.00 H new ATOM 0 HB2 GLN A 97 1.359 -12.480 -3.824 1.00 0.00 H new ATOM 0 HB3 GLN A 97 0.916 -13.134 -5.389 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.638 -10.212 -4.585 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.967 -10.876 -5.514 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.565 -11.682 -7.686 1.00 0.00 H new ATOM 0 HE22 GLN A 97 0.123 -11.180 -8.576 1.00 0.00 H new ATOM 1178 N TYR A 98 -0.987 -14.932 -4.845 1.00 0.00 N ATOM 1179 CA TYR A 98 -0.742 -16.379 -4.770 1.00 0.00 C ATOM 1180 C TYR A 98 0.576 -16.665 -5.495 1.00 0.00 C ATOM 1181 O TYR A 98 0.874 -16.036 -6.514 1.00 0.00 O ATOM 1182 CB TYR A 98 -1.908 -17.171 -5.413 1.00 0.00 C ATOM 1183 CG TYR A 98 -1.706 -18.703 -5.460 1.00 0.00 C ATOM 1184 CD1 TYR A 98 -1.663 -19.469 -4.295 1.00 0.00 C ATOM 1185 CD2 TYR A 98 -1.537 -19.374 -6.676 1.00 0.00 C ATOM 1186 CE1 TYR A 98 -1.452 -20.832 -4.346 1.00 0.00 C ATOM 1187 CE2 TYR A 98 -1.335 -20.738 -6.724 1.00 0.00 C ATOM 1188 CZ TYR A 98 -1.287 -21.458 -5.561 1.00 0.00 C ATOM 1189 OH TYR A 98 -1.067 -22.814 -5.615 1.00 0.00 O ATOM 0 H TYR A 98 -1.227 -14.611 -5.783 1.00 0.00 H new ATOM 0 HA TYR A 98 -0.677 -16.697 -3.729 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -2.822 -16.956 -4.860 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.058 -16.808 -6.430 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -1.797 -18.988 -3.338 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.565 -18.812 -7.598 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -1.416 -21.407 -3.433 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -1.215 -21.235 -7.675 1.00 0.00 H new ATOM 0 HH TYR A 98 -0.974 -23.093 -6.550 1.00 0.00 H new ATOM 1199 N LEU A 99 1.353 -17.617 -4.973 1.00 0.00 N ATOM 1200 CA LEU A 99 2.634 -18.022 -5.555 1.00 0.00 C ATOM 1201 C LEU A 99 2.710 -19.560 -5.497 1.00 0.00 C ATOM 1202 O LEU A 99 2.553 -20.150 -4.421 1.00 0.00 O ATOM 1203 CB LEU A 99 3.815 -17.334 -4.777 1.00 0.00 C ATOM 1204 CG LEU A 99 5.059 -16.890 -5.624 1.00 0.00 C ATOM 1205 CD1 LEU A 99 5.725 -18.064 -6.374 1.00 0.00 C ATOM 1206 CD2 LEU A 99 4.693 -15.739 -6.589 1.00 0.00 C ATOM 0 H LEU A 99 1.108 -18.132 -4.128 1.00 0.00 H new ATOM 0 HA LEU A 99 2.717 -17.705 -6.594 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.420 -16.455 -4.268 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.159 -18.022 -4.004 1.00 0.00 H new ATOM 0 HG LEU A 99 5.801 -16.519 -4.917 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.579 -17.695 -6.942 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.062 -18.810 -5.655 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.004 -18.516 -7.055 1.00 0.00 H new ATOM 0 HD21 LEU A 99 5.574 -15.452 -7.163 1.00 0.00 H new ATOM 0 HD22 LEU A 99 3.909 -16.070 -7.269 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.338 -14.882 -6.016 1.00 0.00 H new ATOM 1218 N GLU A 100 2.920 -20.196 -6.666 1.00 0.00 N ATOM 1219 CA GLU A 100 3.059 -21.655 -6.775 1.00 0.00 C ATOM 1220 C GLU A 100 4.429 -22.109 -6.219 1.00 0.00 C ATOM 1221 O GLU A 100 5.434 -21.410 -6.417 1.00 0.00 O ATOM 1222 CB GLU A 100 2.919 -22.131 -8.252 1.00 0.00 C ATOM 1223 CG GLU A 100 1.552 -21.889 -8.925 1.00 0.00 C ATOM 1224 CD GLU A 100 1.389 -20.465 -9.497 1.00 0.00 C ATOM 1225 OE1 GLU A 100 0.961 -19.542 -8.763 1.00 0.00 O ATOM 1226 OE2 GLU A 100 1.715 -20.253 -10.685 1.00 0.00 O ATOM 0 H GLU A 100 2.997 -19.710 -7.559 1.00 0.00 H new ATOM 0 HA GLU A 100 2.258 -22.105 -6.188 1.00 0.00 H new ATOM 0 HB2 GLU A 100 3.685 -21.632 -8.846 1.00 0.00 H new ATOM 0 HB3 GLU A 100 3.133 -23.199 -8.288 1.00 0.00 H new ATOM 0 HG2 GLU A 100 1.419 -22.612 -9.730 1.00 0.00 H new ATOM 0 HG3 GLU A 100 0.761 -22.072 -8.198 1.00 0.00 H new ATOM 1233 N PRO A 101 4.493 -23.299 -5.534 1.00 0.00 N ATOM 1234 CA PRO A 101 5.769 -23.875 -5.032 1.00 0.00 C ATOM 1235 C PRO A 101 6.800 -24.130 -6.166 1.00 0.00 C ATOM 1236 O PRO A 101 8.008 -23.999 -5.951 1.00 0.00 O ATOM 1237 CB PRO A 101 5.328 -25.204 -4.347 1.00 0.00 C ATOM 1238 CG PRO A 101 3.981 -25.503 -4.925 1.00 0.00 C ATOM 1239 CD PRO A 101 3.338 -24.160 -5.164 1.00 0.00 C ATOM 0 HA PRO A 101 6.285 -23.195 -4.354 1.00 0.00 H new ATOM 0 HB2 PRO A 101 6.034 -26.008 -4.553 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.278 -25.093 -3.264 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.069 -26.067 -5.854 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.385 -26.107 -4.240 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.595 -24.204 -5.961 1.00 0.00 H new ATOM 0 HD3 PRO A 101 2.829 -23.792 -4.273 1.00 0.00 H new ATOM 1247 N ASP A 102 6.297 -24.470 -7.374 1.00 0.00 N ATOM 1248 CA ASP A 102 7.145 -24.734 -8.556 1.00 0.00 C ATOM 1249 C ASP A 102 7.531 -23.413 -9.247 1.00 0.00 C ATOM 1250 O ASP A 102 8.595 -23.324 -9.856 1.00 0.00 O ATOM 1251 CB ASP A 102 6.425 -25.694 -9.558 1.00 0.00 C ATOM 1252 CG ASP A 102 5.389 -25.008 -10.461 1.00 0.00 C ATOM 1253 OD1 ASP A 102 4.329 -24.616 -9.946 1.00 0.00 O ATOM 1254 OD2 ASP A 102 5.632 -24.865 -11.681 1.00 0.00 O ATOM 0 H ASP A 102 5.298 -24.568 -7.555 1.00 0.00 H new ATOM 0 HA ASP A 102 8.057 -25.226 -8.218 1.00 0.00 H new ATOM 0 HB2 ASP A 102 7.176 -26.173 -10.186 1.00 0.00 H new ATOM 0 HB3 ASP A 102 5.930 -26.484 -8.993 1.00 0.00 H new ATOM 1259 N GLN A 103 6.648 -22.388 -9.129 1.00 0.00 N ATOM 1260 CA GLN A 103 6.845 -21.064 -9.770 1.00 0.00 C ATOM 1261 C GLN A 103 8.049 -20.327 -9.151 1.00 0.00 C ATOM 1262 O GLN A 103 8.671 -19.476 -9.795 1.00 0.00 O ATOM 1263 CB GLN A 103 5.556 -20.200 -9.647 1.00 0.00 C ATOM 1264 CG GLN A 103 5.531 -18.903 -10.487 1.00 0.00 C ATOM 1265 CD GLN A 103 5.556 -19.144 -12.006 1.00 0.00 C ATOM 1266 OE1 GLN A 103 5.030 -20.141 -12.498 1.00 0.00 O ATOM 1267 NE2 GLN A 103 6.173 -18.239 -12.758 1.00 0.00 N ATOM 0 H GLN A 103 5.785 -22.456 -8.590 1.00 0.00 H new ATOM 0 HA GLN A 103 7.053 -21.227 -10.827 1.00 0.00 H new ATOM 0 HB2 GLN A 103 4.702 -20.813 -9.935 1.00 0.00 H new ATOM 0 HB3 GLN A 103 5.419 -19.934 -8.599 1.00 0.00 H new ATOM 0 HG2 GLN A 103 4.636 -18.335 -10.234 1.00 0.00 H new ATOM 0 HG3 GLN A 103 6.388 -18.287 -10.212 1.00 0.00 H new ATOM 0 HE21 GLN A 103 6.601 -17.421 -12.324 1.00 0.00 H new ATOM 0 HE22 GLN A 103 6.219 -18.362 -13.770 1.00 0.00 H new