USER MOD reduce.3.24.130724 H: found=0, std=0, add=1002, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 993 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 17 GLN : amide:sc= -0.335 K(o=-0.92,f=-2.1!) USER MOD Set 1.2: A 115 TYR OH : rot -130:sc= -0.582 USER MOD Set 2.1: A 88 MET CE :methyl -169:sc= -4.84! (180deg=-5.52!) USER MOD Set 2.2: A 100 GLN : amide:sc= -2.93 K(o=-7.8,f=-9.9!) USER MOD Set 3.1: A 33 SER OG : rot -89:sc= 1.68 USER MOD Set 3.2: A 39 TYR OH : rot 36:sc= 1.33 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 163:sc= -0.274 (180deg=-1.05) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.877 K(o=-0.88,f=-3.2!) USER MOD Single : A 4 GLN : amide:sc= -0.752 X(o=-0.75,f=-0.56) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 16:sc= 0.203 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -62:sc= 0.388 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 43 HIS : no HD1:sc= -0.0166 X(o=-0.017,f=-0.36) USER MOD Single : A 44 HIS :FLIP no HD1:sc= -1.69 F(o=-2.5!,f=-1.7) USER MOD Single : A 52 LYS NZ :NH3+ 159:sc= -0.202 (180deg=-0.93!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -148:sc= -0.292 (180deg=-1.41!) USER MOD Single : A 63 MET CE :methyl -146:sc= -0.361 (180deg=-1.73!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.214! USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 CYS SG : rot 44:sc= 0.879 USER MOD Single : A 87 THR OG1 : rot 180:sc= -1.25 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 149:sc= 1.25 (180deg=0.296) USER MOD Single : A 106 ASN : amide:sc= 0.0154 X(o=0.015,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot 45:sc= 0.0742 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 TYR OH : rot -58:sc= -0.0769 USER MOD Single : A 127 HIS : no HE2:sc= -1.59! C(o=-1.6!,f=-5!) USER MOD Single : A 128 HIS : no HD1:sc= -0.114 X(o=-0.11,f=-0.32) USER MOD Single : A 129 HIS : no HD1:sc= -0.0125 X(o=-0.013,f=0) USER MOD Single : A 130 HIS : no HD1:sc= -0.152 X(o=-0.15,f=-0.033) USER MOD Single : A 131 HIS : no HD1:sc= -0.0374 X(o=-0.037,f=0) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -22.703 -10.017 11.600 1.00 0.00 N ATOM 2 CA MET A 1 -23.066 -8.901 10.681 1.00 0.00 C ATOM 3 C MET A 1 -22.127 -8.907 9.473 1.00 0.00 C ATOM 4 O MET A 1 -20.924 -8.813 9.610 1.00 0.00 O ATOM 5 CB MET A 1 -22.936 -7.568 11.420 1.00 0.00 C ATOM 6 CG MET A 1 -21.690 -7.595 12.309 1.00 0.00 C ATOM 7 SD MET A 1 -21.529 -6.012 13.171 1.00 0.00 S ATOM 8 CE MET A 1 -22.118 -6.572 14.788 1.00 0.00 C ATOM 0 H1 MET A 1 -23.129 -9.850 12.534 1.00 0.00 H new ATOM 0 H2 MET A 1 -23.057 -10.915 11.213 1.00 0.00 H new ATOM 0 H3 MET A 1 -21.669 -10.065 11.696 1.00 0.00 H new ATOM 0 HA MET A 1 -24.094 -9.031 10.343 1.00 0.00 H new ATOM 0 HB2 MET A 1 -22.867 -6.749 10.704 1.00 0.00 H new ATOM 0 HB3 MET A 1 -23.824 -7.388 12.026 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.763 -8.408 13.031 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.803 -7.784 11.704 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.102 -5.738 15.490 1.00 0.00 H new ATOM 0 HE2 MET A 1 -23.137 -6.947 14.694 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.470 -7.368 15.155 1.00 0.00 H new ATOM 20 N SER A 2 -22.668 -9.017 8.289 1.00 0.00 N ATOM 21 CA SER A 2 -21.805 -9.028 7.075 1.00 0.00 C ATOM 22 C SER A 2 -22.062 -7.762 6.254 1.00 0.00 C ATOM 23 O SER A 2 -21.546 -7.601 5.166 1.00 0.00 O ATOM 24 CB SER A 2 -22.134 -10.259 6.228 1.00 0.00 C ATOM 25 OG SER A 2 -22.138 -11.413 7.060 1.00 0.00 O ATOM 0 H SER A 2 -23.669 -9.100 8.111 1.00 0.00 H new ATOM 0 HA SER A 2 -20.757 -9.061 7.374 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.106 -10.137 5.750 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.399 -10.373 5.431 1.00 0.00 H new ATOM 0 HG SER A 2 -22.350 -12.204 6.521 1.00 0.00 H new ATOM 31 N HIS A 3 -22.856 -6.862 6.768 1.00 0.00 N ATOM 32 CA HIS A 3 -23.146 -5.608 6.017 1.00 0.00 C ATOM 33 C HIS A 3 -22.801 -4.398 6.890 1.00 0.00 C ATOM 34 O HIS A 3 -23.665 -3.773 7.469 1.00 0.00 O ATOM 35 CB HIS A 3 -24.630 -5.564 5.650 1.00 0.00 C ATOM 36 CG HIS A 3 -24.853 -4.528 4.584 1.00 0.00 C ATOM 37 ND1 HIS A 3 -24.089 -3.372 4.503 1.00 0.00 N ATOM 38 CD2 HIS A 3 -25.749 -4.458 3.545 1.00 0.00 C ATOM 39 CE1 HIS A 3 -24.535 -2.662 3.451 1.00 0.00 C ATOM 40 NE2 HIS A 3 -25.545 -3.281 2.835 1.00 0.00 N ATOM 0 H HIS A 3 -23.316 -6.941 7.675 1.00 0.00 H new ATOM 0 HA HIS A 3 -22.546 -5.583 5.108 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -24.957 -6.542 5.296 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -25.227 -5.328 6.531 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -26.497 -5.203 3.315 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -24.127 -1.710 3.143 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -26.059 -2.958 2.015 1.00 0.00 H new ATOM 48 N GLN A 4 -21.543 -4.064 6.989 1.00 0.00 N ATOM 49 CA GLN A 4 -21.147 -2.897 7.826 1.00 0.00 C ATOM 50 C GLN A 4 -21.470 -1.600 7.080 1.00 0.00 C ATOM 51 O GLN A 4 -22.260 -1.584 6.156 1.00 0.00 O ATOM 52 CB GLN A 4 -19.645 -2.957 8.113 1.00 0.00 C ATOM 53 CG GLN A 4 -18.916 -3.551 6.907 1.00 0.00 C ATOM 54 CD GLN A 4 -18.540 -5.004 7.203 1.00 0.00 C ATOM 55 OE1 GLN A 4 -18.834 -5.891 6.425 1.00 0.00 O ATOM 56 NE2 GLN A 4 -17.898 -5.287 8.303 1.00 0.00 N ATOM 0 H GLN A 4 -20.774 -4.548 6.527 1.00 0.00 H new ATOM 0 HA GLN A 4 -21.698 -2.924 8.766 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -19.265 -1.958 8.325 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -19.458 -3.564 8.999 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -19.552 -3.502 6.023 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -18.020 -2.970 6.688 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -17.651 -4.543 8.955 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -17.643 -6.252 8.510 1.00 0.00 H new ATOM 65 N ASP A 5 -20.864 -0.514 7.473 1.00 0.00 N ATOM 66 CA ASP A 5 -21.135 0.781 6.788 1.00 0.00 C ATOM 67 C ASP A 5 -19.848 1.607 6.731 1.00 0.00 C ATOM 68 O ASP A 5 -19.558 2.384 7.619 1.00 0.00 O ATOM 69 CB ASP A 5 -22.205 1.555 7.564 1.00 0.00 C ATOM 70 CG ASP A 5 -23.488 0.726 7.629 1.00 0.00 C ATOM 71 OD1 ASP A 5 -23.590 -0.106 8.516 1.00 0.00 O ATOM 72 OD2 ASP A 5 -24.349 0.937 6.790 1.00 0.00 O ATOM 0 H ASP A 5 -20.192 -0.467 8.239 1.00 0.00 H new ATOM 0 HA ASP A 5 -21.489 0.589 5.775 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -21.851 1.776 8.571 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -22.401 2.511 7.078 1.00 0.00 H new ATOM 77 N ASP A 6 -19.073 1.444 5.694 1.00 0.00 N ATOM 78 CA ASP A 6 -17.805 2.219 5.582 1.00 0.00 C ATOM 79 C ASP A 6 -17.934 3.250 4.458 1.00 0.00 C ATOM 80 O ASP A 6 -17.371 3.093 3.393 1.00 0.00 O ATOM 81 CB ASP A 6 -16.649 1.266 5.268 1.00 0.00 C ATOM 82 CG ASP A 6 -16.598 0.158 6.322 1.00 0.00 C ATOM 83 OD1 ASP A 6 -17.561 -0.583 6.419 1.00 0.00 O ATOM 84 OD2 ASP A 6 -15.596 0.072 7.012 1.00 0.00 O ATOM 0 H ASP A 6 -19.263 0.808 4.920 1.00 0.00 H new ATOM 0 HA ASP A 6 -17.609 2.730 6.524 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -16.780 0.833 4.276 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -15.706 1.813 5.255 1.00 0.00 H new ATOM 89 N TYR A 7 -18.671 4.303 4.686 1.00 0.00 N ATOM 90 CA TYR A 7 -18.833 5.339 3.627 1.00 0.00 C ATOM 91 C TYR A 7 -17.465 5.671 3.027 1.00 0.00 C ATOM 92 O TYR A 7 -16.478 5.779 3.727 1.00 0.00 O ATOM 93 CB TYR A 7 -19.444 6.603 4.234 1.00 0.00 C ATOM 94 CG TYR A 7 -19.284 6.574 5.735 1.00 0.00 C ATOM 95 CD1 TYR A 7 -18.056 6.918 6.316 1.00 0.00 C ATOM 96 CD2 TYR A 7 -20.363 6.206 6.546 1.00 0.00 C ATOM 97 CE1 TYR A 7 -17.910 6.893 7.709 1.00 0.00 C ATOM 98 CE2 TYR A 7 -20.217 6.181 7.938 1.00 0.00 C ATOM 99 CZ TYR A 7 -18.991 6.525 8.520 1.00 0.00 C ATOM 100 OH TYR A 7 -18.847 6.502 9.891 1.00 0.00 O ATOM 0 H TYR A 7 -19.167 4.490 5.558 1.00 0.00 H new ATOM 0 HA TYR A 7 -19.492 4.959 2.846 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -18.957 7.487 3.824 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -20.500 6.670 3.972 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -17.223 7.202 5.690 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -21.309 5.941 6.098 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -16.964 7.157 8.158 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -21.050 5.896 8.563 1.00 0.00 H new ATOM 0 HH TYR A 7 -19.692 6.226 10.304 1.00 0.00 H new ATOM 110 N LEU A 8 -17.397 5.829 1.733 1.00 0.00 N ATOM 111 CA LEU A 8 -16.093 6.151 1.089 1.00 0.00 C ATOM 112 C LEU A 8 -15.559 7.473 1.642 1.00 0.00 C ATOM 113 O LEU A 8 -16.310 8.370 1.970 1.00 0.00 O ATOM 114 CB LEU A 8 -16.289 6.272 -0.423 1.00 0.00 C ATOM 115 CG LEU A 8 -17.735 6.674 -0.719 1.00 0.00 C ATOM 116 CD1 LEU A 8 -17.811 7.324 -2.101 1.00 0.00 C ATOM 117 CD2 LEU A 8 -18.622 5.427 -0.692 1.00 0.00 C ATOM 0 H LEU A 8 -18.188 5.749 1.095 1.00 0.00 H new ATOM 0 HA LEU A 8 -15.378 5.356 1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -15.603 7.014 -0.831 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -16.057 5.324 -0.908 1.00 0.00 H new ATOM 0 HG LEU A 8 -18.079 7.383 0.034 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -18.841 7.611 -2.312 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -17.176 8.210 -2.122 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -17.470 6.615 -2.856 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -19.653 5.710 -0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -18.278 4.720 -1.447 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -18.567 4.962 0.293 1.00 0.00 H new ATOM 129 N SER A 9 -14.264 7.602 1.745 1.00 0.00 N ATOM 130 CA SER A 9 -13.676 8.865 2.273 1.00 0.00 C ATOM 131 C SER A 9 -12.345 9.132 1.568 1.00 0.00 C ATOM 132 O SER A 9 -11.286 9.006 2.151 1.00 0.00 O ATOM 133 CB SER A 9 -13.441 8.730 3.777 1.00 0.00 C ATOM 134 OG SER A 9 -14.661 8.966 4.467 1.00 0.00 O ATOM 0 H SER A 9 -13.587 6.885 1.485 1.00 0.00 H new ATOM 0 HA SER A 9 -14.360 9.693 2.089 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.065 7.734 4.010 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.682 9.441 4.103 1.00 0.00 H new ATOM 0 HG SER A 9 -15.409 8.915 3.836 1.00 0.00 H new ATOM 140 N VAL A 10 -12.391 9.493 0.316 1.00 0.00 N ATOM 141 CA VAL A 10 -11.130 9.763 -0.432 1.00 0.00 C ATOM 142 C VAL A 10 -10.210 10.653 0.406 1.00 0.00 C ATOM 143 O VAL A 10 -9.017 10.714 0.179 1.00 0.00 O ATOM 144 CB VAL A 10 -11.461 10.469 -1.748 1.00 0.00 C ATOM 145 CG1 VAL A 10 -12.130 9.480 -2.704 1.00 0.00 C ATOM 146 CG2 VAL A 10 -12.412 11.637 -1.474 1.00 0.00 C ATOM 0 H VAL A 10 -13.249 9.613 -0.223 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.625 8.819 -0.639 1.00 0.00 H new ATOM 0 HB VAL A 10 -10.543 10.845 -2.200 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -12.366 9.983 -3.642 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.453 8.648 -2.899 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.048 9.103 -2.254 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.649 12.141 -2.411 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.330 11.261 -1.023 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -11.935 12.342 -0.793 1.00 0.00 H new ATOM 156 N GLU A 11 -10.749 11.348 1.369 1.00 0.00 N ATOM 157 CA GLU A 11 -9.897 12.233 2.214 1.00 0.00 C ATOM 158 C GLU A 11 -8.845 11.389 2.937 1.00 0.00 C ATOM 159 O GLU A 11 -7.704 11.785 3.071 1.00 0.00 O ATOM 160 CB GLU A 11 -10.767 12.954 3.246 1.00 0.00 C ATOM 161 CG GLU A 11 -9.921 13.988 3.991 1.00 0.00 C ATOM 162 CD GLU A 11 -10.837 15.024 4.644 1.00 0.00 C ATOM 163 OE1 GLU A 11 -12.040 14.919 4.465 1.00 0.00 O ATOM 164 OE2 GLU A 11 -10.322 15.907 5.310 1.00 0.00 O ATOM 0 H GLU A 11 -11.741 11.342 1.608 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.403 12.969 1.580 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.607 13.443 2.752 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.186 12.235 3.950 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.312 13.496 4.750 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.235 14.478 3.300 1.00 0.00 H new ATOM 171 N GLU A 12 -9.219 10.231 3.404 1.00 0.00 N ATOM 172 CA GLU A 12 -8.240 9.365 4.120 1.00 0.00 C ATOM 173 C GLU A 12 -7.211 8.824 3.124 1.00 0.00 C ATOM 174 O GLU A 12 -6.033 8.744 3.413 1.00 0.00 O ATOM 175 CB GLU A 12 -8.978 8.194 4.775 1.00 0.00 C ATOM 176 CG GLU A 12 -10.162 8.722 5.588 1.00 0.00 C ATOM 177 CD GLU A 12 -9.732 8.938 7.041 1.00 0.00 C ATOM 178 OE1 GLU A 12 -8.557 8.762 7.324 1.00 0.00 O ATOM 179 OE2 GLU A 12 -10.584 9.275 7.846 1.00 0.00 O ATOM 0 H GLU A 12 -10.160 9.846 3.321 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.732 9.950 4.886 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.329 7.500 4.011 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.298 7.639 5.422 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.520 9.659 5.161 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.990 8.015 5.545 1.00 0.00 H new ATOM 186 N LEU A 13 -7.648 8.447 1.954 1.00 0.00 N ATOM 187 CA LEU A 13 -6.699 7.907 0.939 1.00 0.00 C ATOM 188 C LEU A 13 -5.750 9.017 0.477 1.00 0.00 C ATOM 189 O LEU A 13 -4.561 8.812 0.336 1.00 0.00 O ATOM 190 CB LEU A 13 -7.486 7.380 -0.263 1.00 0.00 C ATOM 191 CG LEU A 13 -8.689 6.573 0.225 1.00 0.00 C ATOM 192 CD1 LEU A 13 -9.629 6.296 -0.951 1.00 0.00 C ATOM 193 CD2 LEU A 13 -8.207 5.247 0.814 1.00 0.00 C ATOM 0 H LEU A 13 -8.623 8.490 1.656 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.120 7.097 1.382 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.821 8.211 -0.884 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.845 6.756 -0.885 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.221 7.140 0.990 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.487 5.721 -0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.972 7.241 -1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.098 5.729 -1.716 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.064 4.671 1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.676 4.681 0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.537 5.443 1.651 1.00 0.00 H new ATOM 205 N ILE A 14 -6.268 10.190 0.237 1.00 0.00 N ATOM 206 CA ILE A 14 -5.396 11.309 -0.221 1.00 0.00 C ATOM 207 C ILE A 14 -4.365 11.637 0.862 1.00 0.00 C ATOM 208 O ILE A 14 -3.173 11.572 0.636 1.00 0.00 O ATOM 209 CB ILE A 14 -6.256 12.544 -0.497 1.00 0.00 C ATOM 210 CG1 ILE A 14 -6.912 12.408 -1.874 1.00 0.00 C ATOM 211 CG2 ILE A 14 -5.376 13.795 -0.474 1.00 0.00 C ATOM 212 CD1 ILE A 14 -8.257 13.137 -1.874 1.00 0.00 C ATOM 0 H ILE A 14 -7.256 10.422 0.338 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.878 11.013 -1.133 1.00 0.00 H new ATOM 0 HB ILE A 14 -7.027 12.629 0.269 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.260 12.825 -2.642 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.057 11.355 -2.117 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.989 14.675 -0.671 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.906 13.891 0.505 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.605 13.712 -1.240 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -8.723 13.040 -2.854 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -8.908 12.699 -1.117 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -8.099 14.192 -1.650 1.00 0.00 H new ATOM 224 N GLU A 15 -4.813 11.992 2.034 1.00 0.00 N ATOM 225 CA GLU A 15 -3.856 12.325 3.126 1.00 0.00 C ATOM 226 C GLU A 15 -2.716 11.304 3.139 1.00 0.00 C ATOM 227 O GLU A 15 -1.557 11.651 3.014 1.00 0.00 O ATOM 228 CB GLU A 15 -4.586 12.291 4.471 1.00 0.00 C ATOM 229 CG GLU A 15 -4.182 13.510 5.304 1.00 0.00 C ATOM 230 CD GLU A 15 -5.001 13.541 6.595 1.00 0.00 C ATOM 231 OE1 GLU A 15 -6.136 13.986 6.544 1.00 0.00 O ATOM 232 OE2 GLU A 15 -4.480 13.118 7.614 1.00 0.00 O ATOM 0 H GLU A 15 -5.799 12.066 2.283 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.447 13.321 2.958 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.664 12.288 4.311 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.340 11.374 5.007 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.118 13.468 5.537 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.348 14.424 4.734 1.00 0.00 H new ATOM 239 N ILE A 16 -3.033 10.046 3.288 1.00 0.00 N ATOM 240 CA ILE A 16 -1.966 9.005 3.309 1.00 0.00 C ATOM 241 C ILE A 16 -1.018 9.218 2.127 1.00 0.00 C ATOM 242 O ILE A 16 0.188 9.198 2.274 1.00 0.00 O ATOM 243 CB ILE A 16 -2.603 7.619 3.210 1.00 0.00 C ATOM 244 CG1 ILE A 16 -3.538 7.401 4.403 1.00 0.00 C ATOM 245 CG2 ILE A 16 -1.508 6.550 3.223 1.00 0.00 C ATOM 246 CD1 ILE A 16 -4.490 6.243 4.101 1.00 0.00 C ATOM 0 H ILE A 16 -3.984 9.695 3.396 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.405 9.081 4.240 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.171 7.547 2.282 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.957 7.183 5.299 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.106 8.309 4.604 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.963 5.562 3.152 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.840 6.703 2.375 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.940 6.622 4.150 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -5.155 6.088 4.950 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.081 6.479 3.216 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.914 5.335 3.921 1.00 0.00 H new ATOM 258 N GLN A 17 -1.553 9.421 0.954 1.00 0.00 N ATOM 259 CA GLN A 17 -0.682 9.634 -0.237 1.00 0.00 C ATOM 260 C GLN A 17 0.301 10.773 0.045 1.00 0.00 C ATOM 261 O GLN A 17 1.498 10.571 0.115 1.00 0.00 O ATOM 262 CB GLN A 17 -1.551 10.003 -1.442 1.00 0.00 C ATOM 263 CG GLN A 17 -1.735 8.776 -2.339 1.00 0.00 C ATOM 264 CD GLN A 17 -0.386 8.372 -2.937 1.00 0.00 C ATOM 265 OE1 GLN A 17 0.320 7.557 -2.377 1.00 0.00 O ATOM 266 NE2 GLN A 17 0.004 8.912 -4.059 1.00 0.00 N ATOM 0 H GLN A 17 -2.556 9.449 0.769 1.00 0.00 H new ATOM 0 HA GLN A 17 -0.128 8.719 -0.450 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.521 10.368 -1.105 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -1.084 10.811 -2.005 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -2.151 7.950 -1.762 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.446 8.998 -3.135 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.589 9.596 -4.529 1.00 0.00 H new ATOM 0 HE22 GLN A 17 0.902 8.650 -4.466 1.00 0.00 H new ATOM 275 N LYS A 18 -0.195 11.969 0.206 1.00 0.00 N ATOM 276 CA LYS A 18 0.707 13.123 0.481 1.00 0.00 C ATOM 277 C LYS A 18 1.880 12.664 1.349 1.00 0.00 C ATOM 278 O LYS A 18 3.015 13.033 1.121 1.00 0.00 O ATOM 279 CB LYS A 18 -0.073 14.215 1.217 1.00 0.00 C ATOM 280 CG LYS A 18 -1.231 14.695 0.340 1.00 0.00 C ATOM 281 CD LYS A 18 -1.926 15.879 1.016 1.00 0.00 C ATOM 282 CE LYS A 18 -3.009 16.433 0.087 1.00 0.00 C ATOM 283 NZ LYS A 18 -2.873 17.914 -0.003 1.00 0.00 N ATOM 0 H LYS A 18 -1.188 12.197 0.159 1.00 0.00 H new ATOM 0 HA LYS A 18 1.087 13.517 -0.462 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.455 13.830 2.162 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.586 15.049 1.456 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.860 14.989 -0.642 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.942 13.884 0.182 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.369 15.564 1.961 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.199 16.657 1.249 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.917 15.987 -0.903 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.997 16.170 0.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.608 18.292 -0.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.981 18.331 0.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.935 18.154 -0.382 1.00 0.00 H new ATOM 297 N GLU A 19 1.616 11.865 2.346 1.00 0.00 N ATOM 298 CA GLU A 19 2.716 11.387 3.230 1.00 0.00 C ATOM 299 C GLU A 19 3.571 10.360 2.482 1.00 0.00 C ATOM 300 O GLU A 19 4.727 10.595 2.191 1.00 0.00 O ATOM 301 CB GLU A 19 2.115 10.737 4.479 1.00 0.00 C ATOM 302 CG GLU A 19 2.736 11.360 5.731 1.00 0.00 C ATOM 303 CD GLU A 19 2.388 10.505 6.951 1.00 0.00 C ATOM 304 OE1 GLU A 19 1.335 9.891 6.937 1.00 0.00 O ATOM 305 OE2 GLU A 19 3.181 10.478 7.876 1.00 0.00 O ATOM 0 H GLU A 19 0.686 11.522 2.587 1.00 0.00 H new ATOM 0 HA GLU A 19 3.341 12.232 3.520 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.034 10.876 4.489 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.298 9.663 4.466 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.818 11.428 5.618 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.365 12.376 5.867 1.00 0.00 H new ATOM 312 N GLU A 20 3.013 9.220 2.174 1.00 0.00 N ATOM 313 CA GLU A 20 3.795 8.177 1.450 1.00 0.00 C ATOM 314 C GLU A 20 4.757 8.847 0.466 1.00 0.00 C ATOM 315 O GLU A 20 5.922 8.511 0.396 1.00 0.00 O ATOM 316 CB GLU A 20 2.839 7.260 0.687 1.00 0.00 C ATOM 317 CG GLU A 20 2.715 5.924 1.422 1.00 0.00 C ATOM 318 CD GLU A 20 3.884 5.015 1.036 1.00 0.00 C ATOM 319 OE1 GLU A 20 4.829 5.516 0.447 1.00 0.00 O ATOM 320 OE2 GLU A 20 3.814 3.834 1.334 1.00 0.00 O ATOM 0 H GLU A 20 2.050 8.966 2.393 1.00 0.00 H new ATOM 0 HA GLU A 20 4.366 7.589 2.169 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.860 7.731 0.599 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.206 7.097 -0.326 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.710 6.089 2.499 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.769 5.445 1.169 1.00 0.00 H new ATOM 327 N THR A 21 4.279 9.794 -0.294 1.00 0.00 N ATOM 328 CA THR A 21 5.169 10.484 -1.270 1.00 0.00 C ATOM 329 C THR A 21 6.312 11.164 -0.516 1.00 0.00 C ATOM 330 O THR A 21 7.472 10.885 -0.744 1.00 0.00 O ATOM 331 CB THR A 21 4.366 11.534 -2.039 1.00 0.00 C ATOM 332 OG1 THR A 21 3.236 10.919 -2.640 1.00 0.00 O ATOM 333 CG2 THR A 21 5.246 12.159 -3.123 1.00 0.00 C ATOM 0 H THR A 21 3.312 10.119 -0.281 1.00 0.00 H new ATOM 0 HA THR A 21 5.577 9.757 -1.972 1.00 0.00 H new ATOM 0 HB THR A 21 4.033 12.311 -1.351 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.535 10.247 -3.288 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.673 12.907 -3.670 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.112 12.632 -2.660 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.581 11.383 -3.812 1.00 0.00 H new ATOM 341 N ARG A 22 5.994 12.055 0.383 1.00 0.00 N ATOM 342 CA ARG A 22 7.061 12.751 1.154 1.00 0.00 C ATOM 343 C ARG A 22 8.170 11.757 1.503 1.00 0.00 C ATOM 344 O ARG A 22 9.334 11.994 1.247 1.00 0.00 O ATOM 345 CB ARG A 22 6.466 13.322 2.443 1.00 0.00 C ATOM 346 CG ARG A 22 6.267 14.831 2.292 1.00 0.00 C ATOM 347 CD ARG A 22 5.498 15.366 3.502 1.00 0.00 C ATOM 348 NE ARG A 22 4.356 16.215 3.044 1.00 0.00 N ATOM 349 CZ ARG A 22 4.511 17.076 2.071 1.00 0.00 C ATOM 350 NH1 ARG A 22 5.684 17.254 1.529 1.00 0.00 N ATOM 351 NH2 ARG A 22 3.491 17.774 1.655 1.00 0.00 N ATOM 0 H ARG A 22 5.040 12.331 0.617 1.00 0.00 H new ATOM 0 HA ARG A 22 7.475 13.560 0.553 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.513 12.839 2.661 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.128 13.115 3.284 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.233 15.330 2.211 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.719 15.047 1.375 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.127 14.536 4.104 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.164 15.949 4.138 1.00 0.00 H new ATOM 0 HE ARG A 22 3.446 16.122 3.495 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.487 16.721 1.863 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.799 17.927 0.771 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.576 17.648 2.088 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.608 18.446 0.897 1.00 0.00 H new ATOM 365 N ASP A 23 7.817 10.646 2.089 1.00 0.00 N ATOM 366 CA ASP A 23 8.849 9.637 2.458 1.00 0.00 C ATOM 367 C ASP A 23 9.632 9.220 1.211 1.00 0.00 C ATOM 368 O ASP A 23 10.834 9.053 1.250 1.00 0.00 O ATOM 369 CB ASP A 23 8.164 8.411 3.065 1.00 0.00 C ATOM 370 CG ASP A 23 9.150 7.670 3.970 1.00 0.00 C ATOM 371 OD1 ASP A 23 9.933 6.893 3.448 1.00 0.00 O ATOM 372 OD2 ASP A 23 9.105 7.892 5.168 1.00 0.00 O ATOM 0 H ASP A 23 6.858 10.393 2.328 1.00 0.00 H new ATOM 0 HA ASP A 23 9.536 10.070 3.185 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.288 8.717 3.637 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.812 7.749 2.274 1.00 0.00 H new ATOM 377 N ILE A 24 8.960 9.046 0.106 1.00 0.00 N ATOM 378 CA ILE A 24 9.670 8.633 -1.138 1.00 0.00 C ATOM 379 C ILE A 24 10.532 9.791 -1.648 1.00 0.00 C ATOM 380 O ILE A 24 11.745 9.717 -1.648 1.00 0.00 O ATOM 381 CB ILE A 24 8.645 8.249 -2.207 1.00 0.00 C ATOM 382 CG1 ILE A 24 7.999 6.912 -1.831 1.00 0.00 C ATOM 383 CG2 ILE A 24 9.345 8.114 -3.560 1.00 0.00 C ATOM 384 CD1 ILE A 24 6.836 6.619 -2.782 1.00 0.00 C ATOM 0 H ILE A 24 7.952 9.172 0.011 1.00 0.00 H new ATOM 0 HA ILE A 24 10.309 7.776 -0.922 1.00 0.00 H new ATOM 0 HB ILE A 24 7.878 9.021 -2.272 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.737 6.112 -1.885 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.641 6.946 -0.802 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.615 7.840 -4.322 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.809 9.064 -3.826 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.111 7.341 -3.498 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.377 5.667 -2.513 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.094 7.414 -2.705 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.207 6.567 -3.805 1.00 0.00 H new ATOM 396 N ILE A 25 9.921 10.861 -2.082 1.00 0.00 N ATOM 397 CA ILE A 25 10.717 12.015 -2.587 1.00 0.00 C ATOM 398 C ILE A 25 11.871 12.293 -1.622 1.00 0.00 C ATOM 399 O ILE A 25 12.873 12.874 -1.988 1.00 0.00 O ATOM 400 CB ILE A 25 9.818 13.252 -2.691 1.00 0.00 C ATOM 401 CG1 ILE A 25 9.185 13.307 -4.084 1.00 0.00 C ATOM 402 CG2 ILE A 25 10.649 14.518 -2.465 1.00 0.00 C ATOM 403 CD1 ILE A 25 8.635 11.929 -4.453 1.00 0.00 C ATOM 0 H ILE A 25 8.909 10.985 -2.108 1.00 0.00 H new ATOM 0 HA ILE A 25 11.118 11.781 -3.573 1.00 0.00 H new ATOM 0 HB ILE A 25 9.037 13.191 -1.933 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.384 14.046 -4.101 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.926 13.623 -4.819 1.00 0.00 H new ATOM 0 HG21 ILE A 25 10.005 15.394 -2.540 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.102 14.484 -1.474 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.433 14.578 -3.220 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.185 11.971 -5.445 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.447 11.201 -4.453 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.881 11.631 -3.725 1.00 0.00 H new ATOM 415 N GLN A 26 11.740 11.879 -0.392 1.00 0.00 N ATOM 416 CA GLN A 26 12.829 12.118 0.596 1.00 0.00 C ATOM 417 C GLN A 26 14.018 11.211 0.274 1.00 0.00 C ATOM 418 O GLN A 26 15.125 11.669 0.076 1.00 0.00 O ATOM 419 CB GLN A 26 12.318 11.811 2.004 1.00 0.00 C ATOM 420 CG GLN A 26 11.665 13.062 2.594 1.00 0.00 C ATOM 421 CD GLN A 26 12.678 13.803 3.467 1.00 0.00 C ATOM 422 OE1 GLN A 26 13.769 14.109 3.026 1.00 0.00 O ATOM 423 NE2 GLN A 26 12.362 14.108 4.695 1.00 0.00 N ATOM 0 H GLN A 26 10.925 11.385 -0.028 1.00 0.00 H new ATOM 0 HA GLN A 26 13.144 13.160 0.544 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.598 10.993 1.971 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.142 11.484 2.638 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.313 13.713 1.794 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.793 12.785 3.186 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.447 13.851 5.065 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.030 14.603 5.286 1.00 0.00 H new ATOM 432 N ALA A 27 13.798 9.926 0.222 1.00 0.00 N ATOM 433 CA ALA A 27 14.916 8.990 -0.085 1.00 0.00 C ATOM 434 C ALA A 27 15.547 9.366 -1.429 1.00 0.00 C ATOM 435 O ALA A 27 16.751 9.348 -1.586 1.00 0.00 O ATOM 436 CB ALA A 27 14.378 7.558 -0.157 1.00 0.00 C ATOM 0 H ALA A 27 12.892 9.484 0.379 1.00 0.00 H new ATOM 0 HA ALA A 27 15.669 9.057 0.700 1.00 0.00 H new ATOM 0 HB1 ALA A 27 15.196 6.873 -0.382 1.00 0.00 H new ATOM 0 HB2 ALA A 27 13.931 7.289 0.800 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.624 7.492 -0.941 1.00 0.00 H new ATOM 442 N LEU A 28 14.743 9.709 -2.399 1.00 0.00 N ATOM 443 CA LEU A 28 15.298 10.085 -3.730 1.00 0.00 C ATOM 444 C LEU A 28 16.219 11.296 -3.574 1.00 0.00 C ATOM 445 O LEU A 28 17.336 11.306 -4.053 1.00 0.00 O ATOM 446 CB LEU A 28 14.153 10.434 -4.682 1.00 0.00 C ATOM 447 CG LEU A 28 13.123 9.302 -4.679 1.00 0.00 C ATOM 448 CD1 LEU A 28 12.034 9.599 -5.711 1.00 0.00 C ATOM 449 CD2 LEU A 28 13.815 7.984 -5.037 1.00 0.00 C ATOM 0 H LEU A 28 13.726 9.745 -2.327 1.00 0.00 H new ATOM 0 HA LEU A 28 15.864 9.247 -4.137 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.683 11.368 -4.375 1.00 0.00 H new ATOM 0 HB3 LEU A 28 14.538 10.587 -5.690 1.00 0.00 H new ATOM 0 HG LEU A 28 12.674 9.223 -3.689 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.301 8.793 -5.709 1.00 0.00 H new ATOM 0 HD12 LEU A 28 11.541 10.538 -5.460 1.00 0.00 H new ATOM 0 HD13 LEU A 28 12.483 9.678 -6.701 1.00 0.00 H new ATOM 0 HD21 LEU A 28 13.083 7.176 -5.035 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.263 8.066 -6.027 1.00 0.00 H new ATOM 0 HD23 LEU A 28 14.592 7.770 -4.304 1.00 0.00 H new ATOM 461 N LEU A 29 15.761 12.318 -2.904 1.00 0.00 N ATOM 462 CA LEU A 29 16.611 13.528 -2.717 1.00 0.00 C ATOM 463 C LEU A 29 17.883 13.143 -1.959 1.00 0.00 C ATOM 464 O LEU A 29 18.956 13.640 -2.237 1.00 0.00 O ATOM 465 CB LEU A 29 15.835 14.575 -1.915 1.00 0.00 C ATOM 466 CG LEU A 29 15.302 15.656 -2.858 1.00 0.00 C ATOM 467 CD1 LEU A 29 16.476 16.357 -3.549 1.00 0.00 C ATOM 468 CD2 LEU A 29 14.393 15.016 -3.912 1.00 0.00 C ATOM 0 H LEU A 29 14.835 12.367 -2.478 1.00 0.00 H new ATOM 0 HA LEU A 29 16.879 13.941 -3.690 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.009 14.102 -1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.482 15.023 -1.161 1.00 0.00 H new ATOM 0 HG LEU A 29 14.731 16.386 -2.285 1.00 0.00 H new ATOM 0 HD11 LEU A 29 16.096 17.127 -4.221 1.00 0.00 H new ATOM 0 HD12 LEU A 29 17.119 16.816 -2.798 1.00 0.00 H new ATOM 0 HD13 LEU A 29 17.050 15.628 -4.121 1.00 0.00 H new ATOM 0 HD21 LEU A 29 14.014 15.787 -4.583 1.00 0.00 H new ATOM 0 HD22 LEU A 29 14.961 14.283 -4.486 1.00 0.00 H new ATOM 0 HD23 LEU A 29 13.556 14.521 -3.419 1.00 0.00 H new ATOM 480 N GLU A 30 17.773 12.260 -1.004 1.00 0.00 N ATOM 481 CA GLU A 30 18.978 11.845 -0.233 1.00 0.00 C ATOM 482 C GLU A 30 19.999 11.223 -1.188 1.00 0.00 C ATOM 483 O GLU A 30 21.193 11.326 -0.988 1.00 0.00 O ATOM 484 CB GLU A 30 18.580 10.817 0.829 1.00 0.00 C ATOM 485 CG GLU A 30 19.840 10.251 1.488 1.00 0.00 C ATOM 486 CD GLU A 30 20.689 11.400 2.036 1.00 0.00 C ATOM 487 OE1 GLU A 30 20.114 12.410 2.406 1.00 0.00 O ATOM 488 OE2 GLU A 30 21.898 11.249 2.078 1.00 0.00 O ATOM 0 H GLU A 30 16.902 11.809 -0.725 1.00 0.00 H new ATOM 0 HA GLU A 30 19.416 12.716 0.255 1.00 0.00 H new ATOM 0 HB2 GLU A 30 17.942 11.282 1.580 1.00 0.00 H new ATOM 0 HB3 GLU A 30 18.002 10.013 0.374 1.00 0.00 H new ATOM 0 HG2 GLU A 30 19.567 9.570 2.294 1.00 0.00 H new ATOM 0 HG3 GLU A 30 20.414 9.674 0.763 1.00 0.00 H new ATOM 495 N ASP A 31 19.539 10.578 -2.226 1.00 0.00 N ATOM 496 CA ASP A 31 20.485 9.952 -3.193 1.00 0.00 C ATOM 497 C ASP A 31 21.089 11.035 -4.090 1.00 0.00 C ATOM 498 O ASP A 31 22.251 10.988 -4.438 1.00 0.00 O ATOM 499 CB ASP A 31 19.736 8.933 -4.055 1.00 0.00 C ATOM 500 CG ASP A 31 20.745 8.023 -4.759 1.00 0.00 C ATOM 501 OD1 ASP A 31 21.912 8.081 -4.406 1.00 0.00 O ATOM 502 OD2 ASP A 31 20.334 7.283 -5.637 1.00 0.00 O ATOM 0 H ASP A 31 18.550 10.458 -2.446 1.00 0.00 H new ATOM 0 HA ASP A 31 21.282 9.448 -2.646 1.00 0.00 H new ATOM 0 HB2 ASP A 31 19.065 8.339 -3.435 1.00 0.00 H new ATOM 0 HB3 ASP A 31 19.118 9.447 -4.791 1.00 0.00 H new ATOM 507 N GLY A 32 20.308 12.012 -4.463 1.00 0.00 N ATOM 508 CA GLY A 32 20.841 13.097 -5.335 1.00 0.00 C ATOM 509 C GLY A 32 19.952 13.247 -6.570 1.00 0.00 C ATOM 510 O GLY A 32 20.343 13.830 -7.561 1.00 0.00 O ATOM 0 H GLY A 32 19.326 12.106 -4.202 1.00 0.00 H new ATOM 0 HA2 GLY A 32 20.876 14.036 -4.783 1.00 0.00 H new ATOM 0 HA3 GLY A 32 21.863 12.866 -5.636 1.00 0.00 H new ATOM 514 N SER A 33 18.757 12.724 -6.520 1.00 0.00 N ATOM 515 CA SER A 33 17.841 12.835 -7.692 1.00 0.00 C ATOM 516 C SER A 33 18.065 14.176 -8.393 1.00 0.00 C ATOM 517 O SER A 33 18.544 15.124 -7.804 1.00 0.00 O ATOM 518 CB SER A 33 16.392 12.747 -7.214 1.00 0.00 C ATOM 519 OG SER A 33 15.647 11.946 -8.122 1.00 0.00 O ATOM 0 H SER A 33 18.375 12.224 -5.717 1.00 0.00 H new ATOM 0 HA SER A 33 18.045 12.023 -8.390 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.352 12.316 -6.214 1.00 0.00 H new ATOM 0 HB3 SER A 33 15.957 13.744 -7.149 1.00 0.00 H new ATOM 0 HG SER A 33 15.285 12.511 -8.836 1.00 0.00 H new ATOM 525 N ASP A 34 17.722 14.264 -9.651 1.00 0.00 N ATOM 526 CA ASP A 34 17.914 15.544 -10.389 1.00 0.00 C ATOM 527 C ASP A 34 16.587 15.980 -11.014 1.00 0.00 C ATOM 528 O ASP A 34 16.299 15.678 -12.155 1.00 0.00 O ATOM 529 CB ASP A 34 18.955 15.344 -11.493 1.00 0.00 C ATOM 530 CG ASP A 34 20.304 15.898 -11.030 1.00 0.00 C ATOM 531 OD1 ASP A 34 20.310 16.952 -10.417 1.00 0.00 O ATOM 532 OD2 ASP A 34 21.307 15.257 -11.296 1.00 0.00 O ATOM 0 H ASP A 34 17.317 13.504 -10.198 1.00 0.00 H new ATOM 0 HA ASP A 34 18.258 16.313 -9.697 1.00 0.00 H new ATOM 0 HB2 ASP A 34 19.048 14.285 -11.732 1.00 0.00 H new ATOM 0 HB3 ASP A 34 18.636 15.850 -12.404 1.00 0.00 H new ATOM 537 N PRO A 35 15.789 16.688 -10.263 1.00 0.00 N ATOM 538 CA PRO A 35 14.464 17.185 -10.734 1.00 0.00 C ATOM 539 C PRO A 35 14.568 17.954 -12.056 1.00 0.00 C ATOM 540 O PRO A 35 13.630 18.011 -12.828 1.00 0.00 O ATOM 541 CB PRO A 35 13.997 18.116 -9.613 1.00 0.00 C ATOM 542 CG PRO A 35 14.744 17.684 -8.394 1.00 0.00 C ATOM 543 CD PRO A 35 16.066 17.090 -8.877 1.00 0.00 C ATOM 0 HA PRO A 35 13.775 16.363 -10.931 1.00 0.00 H new ATOM 0 HB2 PRO A 35 14.210 19.157 -9.854 1.00 0.00 H new ATOM 0 HB3 PRO A 35 12.920 18.037 -9.461 1.00 0.00 H new ATOM 0 HG2 PRO A 35 14.920 18.529 -7.728 1.00 0.00 H new ATOM 0 HG3 PRO A 35 14.172 16.947 -7.830 1.00 0.00 H new ATOM 0 HD2 PRO A 35 16.874 17.820 -8.827 1.00 0.00 H new ATOM 0 HD3 PRO A 35 16.368 16.239 -8.267 1.00 0.00 H new ATOM 551 N ASP A 36 15.700 18.546 -12.322 1.00 0.00 N ATOM 552 CA ASP A 36 15.861 19.311 -13.592 1.00 0.00 C ATOM 553 C ASP A 36 15.778 18.351 -14.781 1.00 0.00 C ATOM 554 O ASP A 36 15.483 18.746 -15.892 1.00 0.00 O ATOM 555 CB ASP A 36 17.219 20.013 -13.598 1.00 0.00 C ATOM 556 CG ASP A 36 17.239 21.080 -14.695 1.00 0.00 C ATOM 557 OD1 ASP A 36 16.305 21.862 -14.751 1.00 0.00 O ATOM 558 OD2 ASP A 36 18.189 21.096 -15.460 1.00 0.00 O ATOM 0 H ASP A 36 16.520 18.533 -11.716 1.00 0.00 H new ATOM 0 HA ASP A 36 15.068 20.055 -13.669 1.00 0.00 H new ATOM 0 HB2 ASP A 36 17.407 20.471 -12.627 1.00 0.00 H new ATOM 0 HB3 ASP A 36 18.014 19.287 -13.768 1.00 0.00 H new ATOM 563 N ALA A 37 16.040 17.092 -14.558 1.00 0.00 N ATOM 564 CA ALA A 37 15.978 16.109 -15.676 1.00 0.00 C ATOM 565 C ALA A 37 14.553 15.567 -15.805 1.00 0.00 C ATOM 566 O ALA A 37 14.322 14.539 -16.410 1.00 0.00 O ATOM 567 CB ALA A 37 16.939 14.953 -15.392 1.00 0.00 C ATOM 0 H ALA A 37 16.294 16.702 -13.650 1.00 0.00 H new ATOM 0 HA ALA A 37 16.264 16.601 -16.606 1.00 0.00 H new ATOM 0 HB1 ALA A 37 16.894 14.233 -16.209 1.00 0.00 H new ATOM 0 HB2 ALA A 37 17.955 15.338 -15.303 1.00 0.00 H new ATOM 0 HB3 ALA A 37 16.654 14.463 -14.461 1.00 0.00 H new ATOM 573 N LEU A 38 13.593 16.250 -15.244 1.00 0.00 N ATOM 574 CA LEU A 38 12.185 15.772 -15.340 1.00 0.00 C ATOM 575 C LEU A 38 12.091 14.346 -14.788 1.00 0.00 C ATOM 576 O LEU A 38 13.035 13.584 -14.846 1.00 0.00 O ATOM 577 CB LEU A 38 11.744 15.780 -16.805 1.00 0.00 C ATOM 578 CG LEU A 38 10.774 16.938 -17.044 1.00 0.00 C ATOM 579 CD1 LEU A 38 10.824 17.351 -18.515 1.00 0.00 C ATOM 580 CD2 LEU A 38 9.354 16.494 -16.687 1.00 0.00 C ATOM 0 H LEU A 38 13.723 17.118 -14.724 1.00 0.00 H new ATOM 0 HA LEU A 38 11.537 16.430 -14.760 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.613 15.880 -17.456 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.265 14.834 -17.056 1.00 0.00 H new ATOM 0 HG LEU A 38 11.059 17.785 -16.420 1.00 0.00 H new ATOM 0 HD11 LEU A 38 10.133 18.176 -18.685 1.00 0.00 H new ATOM 0 HD12 LEU A 38 11.836 17.667 -18.770 1.00 0.00 H new ATOM 0 HD13 LEU A 38 10.540 16.505 -19.140 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.661 17.318 -16.857 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.070 15.647 -17.311 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.318 16.200 -15.638 1.00 0.00 H new ATOM 592 N TYR A 39 10.957 13.982 -14.255 1.00 0.00 N ATOM 593 CA TYR A 39 10.798 12.606 -13.703 1.00 0.00 C ATOM 594 C TYR A 39 9.541 11.965 -14.295 1.00 0.00 C ATOM 595 O TYR A 39 8.606 12.644 -14.666 1.00 0.00 O ATOM 596 CB TYR A 39 10.667 12.679 -12.177 1.00 0.00 C ATOM 597 CG TYR A 39 11.832 11.965 -11.535 1.00 0.00 C ATOM 598 CD1 TYR A 39 13.054 12.628 -11.375 1.00 0.00 C ATOM 599 CD2 TYR A 39 11.691 10.641 -11.103 1.00 0.00 C ATOM 600 CE1 TYR A 39 14.136 11.966 -10.783 1.00 0.00 C ATOM 601 CE2 TYR A 39 12.772 9.979 -10.510 1.00 0.00 C ATOM 602 CZ TYR A 39 13.995 10.642 -10.349 1.00 0.00 C ATOM 603 OH TYR A 39 15.063 9.990 -9.766 1.00 0.00 O ATOM 0 H TYR A 39 10.133 14.578 -14.178 1.00 0.00 H new ATOM 0 HA TYR A 39 11.670 12.005 -13.962 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.642 13.720 -11.853 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.729 12.224 -11.860 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.162 13.650 -11.708 1.00 0.00 H new ATOM 0 HD2 TYR A 39 10.748 10.130 -11.227 1.00 0.00 H new ATOM 0 HE1 TYR A 39 15.080 12.476 -10.661 1.00 0.00 H new ATOM 0 HE2 TYR A 39 12.663 8.957 -10.177 1.00 0.00 H new ATOM 0 HH TYR A 39 15.577 10.624 -9.224 1.00 0.00 H new ATOM 613 N GLU A 40 9.511 10.664 -14.388 1.00 0.00 N ATOM 614 CA GLU A 40 8.312 9.989 -14.957 1.00 0.00 C ATOM 615 C GLU A 40 7.536 9.292 -13.838 1.00 0.00 C ATOM 616 O GLU A 40 8.108 8.810 -12.881 1.00 0.00 O ATOM 617 CB GLU A 40 8.751 8.953 -15.994 1.00 0.00 C ATOM 618 CG GLU A 40 9.750 7.987 -15.358 1.00 0.00 C ATOM 619 CD GLU A 40 11.173 8.399 -15.740 1.00 0.00 C ATOM 620 OE1 GLU A 40 11.605 8.031 -16.820 1.00 0.00 O ATOM 621 OE2 GLU A 40 11.804 9.078 -14.947 1.00 0.00 O ATOM 0 H GLU A 40 10.263 10.041 -14.095 1.00 0.00 H new ATOM 0 HA GLU A 40 7.672 10.732 -15.434 1.00 0.00 H new ATOM 0 HB2 GLU A 40 7.885 8.405 -16.365 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.205 9.450 -16.851 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.637 7.992 -14.274 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.552 6.969 -15.694 1.00 0.00 H new ATOM 628 N ILE A 41 6.237 9.237 -13.950 1.00 0.00 N ATOM 629 CA ILE A 41 5.425 8.572 -12.894 1.00 0.00 C ATOM 630 C ILE A 41 4.600 7.449 -13.526 1.00 0.00 C ATOM 631 O ILE A 41 4.154 7.553 -14.652 1.00 0.00 O ATOM 632 CB ILE A 41 4.486 9.594 -12.246 1.00 0.00 C ATOM 633 CG1 ILE A 41 5.118 10.990 -12.302 1.00 0.00 C ATOM 634 CG2 ILE A 41 4.244 9.206 -10.786 1.00 0.00 C ATOM 635 CD1 ILE A 41 6.361 11.033 -11.409 1.00 0.00 C ATOM 0 H ILE A 41 5.703 9.624 -14.728 1.00 0.00 H new ATOM 0 HA ILE A 41 6.086 8.158 -12.132 1.00 0.00 H new ATOM 0 HB ILE A 41 3.539 9.605 -12.786 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.388 11.236 -13.329 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.397 11.739 -11.974 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.576 9.932 -10.323 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.790 8.216 -10.743 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.193 9.193 -10.251 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.806 12.027 -11.453 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.078 10.807 -10.381 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.085 10.296 -11.757 1.00 0.00 H new ATOM 647 N GLU A 42 4.393 6.375 -12.814 1.00 0.00 N ATOM 648 CA GLU A 42 3.597 5.250 -13.380 1.00 0.00 C ATOM 649 C GLU A 42 2.373 4.993 -12.499 1.00 0.00 C ATOM 650 O GLU A 42 2.484 4.537 -11.379 1.00 0.00 O ATOM 651 CB GLU A 42 4.461 3.986 -13.432 1.00 0.00 C ATOM 652 CG GLU A 42 5.406 3.961 -12.229 1.00 0.00 C ATOM 653 CD GLU A 42 6.295 2.719 -12.306 1.00 0.00 C ATOM 654 OE1 GLU A 42 5.782 1.634 -12.087 1.00 0.00 O ATOM 655 OE2 GLU A 42 7.473 2.874 -12.584 1.00 0.00 O ATOM 0 H GLU A 42 4.740 6.228 -11.866 1.00 0.00 H new ATOM 0 HA GLU A 42 3.271 5.510 -14.387 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.827 3.099 -13.428 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.035 3.963 -14.359 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.021 4.861 -12.217 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.832 3.954 -11.302 1.00 0.00 H new ATOM 662 N HIS A 43 1.202 5.281 -12.999 1.00 0.00 N ATOM 663 CA HIS A 43 -0.030 5.053 -12.193 1.00 0.00 C ATOM 664 C HIS A 43 -0.694 3.747 -12.635 1.00 0.00 C ATOM 665 O HIS A 43 -0.712 3.413 -13.803 1.00 0.00 O ATOM 666 CB HIS A 43 -1.001 6.216 -12.406 1.00 0.00 C ATOM 667 CG HIS A 43 -0.256 7.519 -12.290 1.00 0.00 C ATOM 668 ND1 HIS A 43 0.011 8.112 -11.063 1.00 0.00 N ATOM 669 CD2 HIS A 43 0.282 8.355 -13.236 1.00 0.00 C ATOM 670 CE1 HIS A 43 0.682 9.254 -11.303 1.00 0.00 C ATOM 671 NE2 HIS A 43 0.872 9.447 -12.609 1.00 0.00 N ATOM 0 H HIS A 43 1.046 5.664 -13.931 1.00 0.00 H new ATOM 0 HA HIS A 43 0.233 4.988 -11.137 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.469 6.138 -13.388 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.802 6.175 -11.667 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.252 8.190 -14.303 1.00 0.00 H new ATOM 0 HE1 HIS A 43 1.024 9.930 -10.533 1.00 0.00 H new ATOM 0 HE2 HIS A 43 1.350 10.231 -13.054 1.00 0.00 H new ATOM 679 N HIS A 44 -1.239 3.005 -11.710 1.00 0.00 N ATOM 680 CA HIS A 44 -1.901 1.722 -12.075 1.00 0.00 C ATOM 681 C HIS A 44 -3.363 1.762 -11.627 1.00 0.00 C ATOM 682 O HIS A 44 -3.662 1.990 -10.472 1.00 0.00 O ATOM 683 CB HIS A 44 -1.186 0.562 -11.380 1.00 0.00 C ATOM 684 CG HIS A 44 0.272 0.896 -11.223 1.00 0.00 C ATOM 685 ND1 HIS A 44 1.172 1.499 -12.068 1.00 0.00 N flip ATOM 686 CD2 HIS A 44 0.979 0.601 -10.065 1.00 0.00 C flip ATOM 687 CE1 HIS A 44 2.411 1.577 -11.445 1.00 0.00 C flip ATOM 688 NE2 HIS A 44 2.244 1.023 -10.243 1.00 0.00 N flip ATOM 0 H HIS A 44 -1.254 3.233 -10.716 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.853 1.581 -13.155 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -1.635 0.376 -10.404 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.300 -0.352 -11.963 1.00 0.00 H new ATOM 0 HD2 HIS A 44 0.585 0.120 -9.182 1.00 0.00 H new ATOM 0 HE1 HIS A 44 3.320 1.998 -11.849 1.00 0.00 H new ATOM 0 HE2 HIS A 44 2.983 0.931 -9.546 1.00 0.00 H new ATOM 696 N LEU A 45 -4.277 1.540 -12.531 1.00 0.00 N ATOM 697 CA LEU A 45 -5.718 1.567 -12.154 1.00 0.00 C ATOM 698 C LEU A 45 -6.411 0.316 -12.697 1.00 0.00 C ATOM 699 O LEU A 45 -6.047 -0.205 -13.733 1.00 0.00 O ATOM 700 CB LEU A 45 -6.377 2.816 -12.744 1.00 0.00 C ATOM 701 CG LEU A 45 -5.523 4.044 -12.425 1.00 0.00 C ATOM 702 CD1 LEU A 45 -4.580 4.330 -13.595 1.00 0.00 C ATOM 703 CD2 LEU A 45 -6.433 5.253 -12.197 1.00 0.00 C ATOM 0 H LEU A 45 -4.088 1.341 -13.514 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.809 1.589 -11.068 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.487 2.707 -13.823 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.379 2.940 -12.333 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.938 3.854 -11.525 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.972 5.205 -13.367 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.931 3.470 -13.758 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.164 4.519 -14.495 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.825 6.128 -11.970 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.019 5.442 -13.096 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.104 5.051 -11.362 1.00 0.00 H new ATOM 715 N PHE A 46 -7.405 -0.172 -12.007 1.00 0.00 N ATOM 716 CA PHE A 46 -8.114 -1.391 -12.487 1.00 0.00 C ATOM 717 C PHE A 46 -9.626 -1.171 -12.416 1.00 0.00 C ATOM 718 O PHE A 46 -10.112 -0.361 -11.651 1.00 0.00 O ATOM 719 CB PHE A 46 -7.727 -2.584 -11.611 1.00 0.00 C ATOM 720 CG PHE A 46 -6.860 -2.108 -10.469 1.00 0.00 C ATOM 721 CD1 PHE A 46 -5.536 -1.724 -10.711 1.00 0.00 C ATOM 722 CD2 PHE A 46 -7.380 -2.051 -9.171 1.00 0.00 C ATOM 723 CE1 PHE A 46 -4.731 -1.281 -9.655 1.00 0.00 C ATOM 724 CE2 PHE A 46 -6.575 -1.609 -8.113 1.00 0.00 C ATOM 725 CZ PHE A 46 -5.251 -1.224 -8.355 1.00 0.00 C ATOM 0 H PHE A 46 -7.756 0.220 -11.133 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.829 -1.591 -13.520 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -8.622 -3.071 -11.224 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -7.192 -3.326 -12.204 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.135 -1.770 -11.713 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -8.402 -2.348 -8.985 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.710 -0.983 -9.842 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.976 -1.565 -7.111 1.00 0.00 H new ATOM 0 HZ PHE A 46 -4.630 -0.883 -7.540 1.00 0.00 H new ATOM 735 N ALA A 47 -10.373 -1.887 -13.210 1.00 0.00 N ATOM 736 CA ALA A 47 -11.853 -1.722 -13.194 1.00 0.00 C ATOM 737 C ALA A 47 -12.518 -3.094 -13.070 1.00 0.00 C ATOM 738 O ALA A 47 -11.857 -4.112 -13.016 1.00 0.00 O ATOM 739 CB ALA A 47 -12.303 -1.053 -14.495 1.00 0.00 C ATOM 0 H ALA A 47 -10.021 -2.580 -13.870 1.00 0.00 H new ATOM 0 HA ALA A 47 -12.141 -1.101 -12.346 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.386 -0.931 -14.486 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.829 -0.076 -14.585 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -12.015 -1.675 -15.342 1.00 0.00 H new ATOM 745 N GLU A 48 -13.822 -3.130 -13.027 1.00 0.00 N ATOM 746 CA GLU A 48 -14.527 -4.438 -12.909 1.00 0.00 C ATOM 747 C GLU A 48 -15.381 -4.666 -14.158 1.00 0.00 C ATOM 748 O GLU A 48 -15.739 -5.781 -14.482 1.00 0.00 O ATOM 749 CB GLU A 48 -15.427 -4.427 -11.672 1.00 0.00 C ATOM 750 CG GLU A 48 -14.666 -3.819 -10.492 1.00 0.00 C ATOM 751 CD GLU A 48 -15.643 -3.520 -9.354 1.00 0.00 C ATOM 752 OE1 GLU A 48 -16.465 -4.376 -9.065 1.00 0.00 O ATOM 753 OE2 GLU A 48 -15.554 -2.442 -8.789 1.00 0.00 O ATOM 0 H GLU A 48 -14.429 -2.311 -13.068 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.794 -5.239 -12.814 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -16.330 -3.851 -11.872 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -15.743 -5.442 -11.430 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.893 -4.508 -10.150 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -14.163 -2.904 -10.803 1.00 0.00 H new ATOM 760 N ASP A 49 -15.707 -3.617 -14.862 1.00 0.00 N ATOM 761 CA ASP A 49 -16.535 -3.770 -16.091 1.00 0.00 C ATOM 762 C ASP A 49 -15.828 -3.087 -17.263 1.00 0.00 C ATOM 763 O ASP A 49 -15.727 -1.878 -17.322 1.00 0.00 O ATOM 764 CB ASP A 49 -17.903 -3.120 -15.871 1.00 0.00 C ATOM 765 CG ASP A 49 -18.990 -3.987 -16.510 1.00 0.00 C ATOM 766 OD1 ASP A 49 -18.922 -5.196 -16.355 1.00 0.00 O ATOM 767 OD2 ASP A 49 -19.871 -3.428 -17.142 1.00 0.00 O ATOM 0 H ASP A 49 -15.435 -2.660 -14.639 1.00 0.00 H new ATOM 0 HA ASP A 49 -16.670 -4.829 -16.311 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -18.095 -3.005 -14.804 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -17.917 -2.121 -16.307 1.00 0.00 H new ATOM 772 N PHE A 50 -15.330 -3.854 -18.194 1.00 0.00 N ATOM 773 CA PHE A 50 -14.624 -3.249 -19.358 1.00 0.00 C ATOM 774 C PHE A 50 -15.380 -2.005 -19.832 1.00 0.00 C ATOM 775 O PHE A 50 -14.846 -1.178 -20.544 1.00 0.00 O ATOM 776 CB PHE A 50 -14.555 -4.268 -20.497 1.00 0.00 C ATOM 777 CG PHE A 50 -14.315 -3.547 -21.802 1.00 0.00 C ATOM 778 CD1 PHE A 50 -13.018 -3.154 -22.156 1.00 0.00 C ATOM 779 CD2 PHE A 50 -15.388 -3.271 -22.657 1.00 0.00 C ATOM 780 CE1 PHE A 50 -12.795 -2.485 -23.365 1.00 0.00 C ATOM 781 CE2 PHE A 50 -15.165 -2.602 -23.867 1.00 0.00 C ATOM 782 CZ PHE A 50 -13.868 -2.209 -24.221 1.00 0.00 C ATOM 0 H PHE A 50 -15.382 -4.873 -18.199 1.00 0.00 H new ATOM 0 HA PHE A 50 -13.615 -2.965 -19.060 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -13.754 -4.983 -20.311 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -15.484 -4.836 -20.548 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -12.190 -3.367 -21.496 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -16.388 -3.574 -22.384 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -11.795 -2.182 -23.638 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -15.993 -2.389 -24.527 1.00 0.00 H new ATOM 0 HZ PHE A 50 -13.696 -1.693 -25.154 1.00 0.00 H new ATOM 792 N ASP A 51 -16.618 -1.865 -19.446 1.00 0.00 N ATOM 793 CA ASP A 51 -17.402 -0.674 -19.882 1.00 0.00 C ATOM 794 C ASP A 51 -16.798 0.592 -19.269 1.00 0.00 C ATOM 795 O ASP A 51 -16.101 1.339 -19.926 1.00 0.00 O ATOM 796 CB ASP A 51 -18.853 -0.820 -19.419 1.00 0.00 C ATOM 797 CG ASP A 51 -19.760 0.027 -20.312 1.00 0.00 C ATOM 798 OD1 ASP A 51 -19.917 -0.327 -21.469 1.00 0.00 O ATOM 799 OD2 ASP A 51 -20.283 1.015 -19.825 1.00 0.00 O ATOM 0 H ASP A 51 -17.120 -2.522 -18.849 1.00 0.00 H new ATOM 0 HA ASP A 51 -17.371 -0.601 -20.969 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -19.156 -1.866 -19.462 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -18.948 -0.503 -18.380 1.00 0.00 H new ATOM 804 N LYS A 52 -17.058 0.839 -18.015 1.00 0.00 N ATOM 805 CA LYS A 52 -16.498 2.057 -17.364 1.00 0.00 C ATOM 806 C LYS A 52 -14.982 2.093 -17.572 1.00 0.00 C ATOM 807 O LYS A 52 -14.386 3.145 -17.682 1.00 0.00 O ATOM 808 CB LYS A 52 -16.805 2.024 -15.867 1.00 0.00 C ATOM 809 CG LYS A 52 -15.991 0.913 -15.202 1.00 0.00 C ATOM 810 CD LYS A 52 -16.366 0.823 -13.721 1.00 0.00 C ATOM 811 CE LYS A 52 -15.873 -0.505 -13.147 1.00 0.00 C ATOM 812 NZ LYS A 52 -16.694 -0.867 -11.958 1.00 0.00 N ATOM 0 H LYS A 52 -17.634 0.250 -17.413 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.949 2.945 -17.807 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.564 2.986 -15.415 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -17.870 1.854 -15.707 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -16.184 -0.039 -15.696 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -14.925 1.116 -15.307 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -15.924 1.654 -13.172 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -17.447 0.903 -13.604 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -15.942 -1.288 -13.902 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -14.823 -0.425 -12.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -16.618 -1.889 -11.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -16.349 -0.346 -11.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -17.688 -0.619 -12.134 1.00 0.00 H new ATOM 826 N LEU A 53 -14.357 0.950 -17.622 1.00 0.00 N ATOM 827 CA LEU A 53 -12.880 0.915 -17.820 1.00 0.00 C ATOM 828 C LEU A 53 -12.503 1.766 -19.034 1.00 0.00 C ATOM 829 O LEU A 53 -11.700 2.674 -18.944 1.00 0.00 O ATOM 830 CB LEU A 53 -12.433 -0.529 -18.051 1.00 0.00 C ATOM 831 CG LEU A 53 -10.913 -0.624 -17.909 1.00 0.00 C ATOM 832 CD1 LEU A 53 -10.500 -2.095 -17.834 1.00 0.00 C ATOM 833 CD2 LEU A 53 -10.242 0.032 -19.118 1.00 0.00 C ATOM 0 H LEU A 53 -14.805 0.038 -17.534 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.386 1.313 -16.933 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -12.918 -1.190 -17.332 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -12.737 -0.860 -19.044 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.602 -0.110 -16.999 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.417 -2.164 -17.733 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.976 -2.563 -16.972 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.813 -2.608 -18.744 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.159 -0.037 -19.015 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -10.553 -0.480 -20.029 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.535 1.080 -19.173 1.00 0.00 H new ATOM 845 N GLU A 54 -13.075 1.479 -20.172 1.00 0.00 N ATOM 846 CA GLU A 54 -12.747 2.270 -21.392 1.00 0.00 C ATOM 847 C GLU A 54 -13.193 3.720 -21.197 1.00 0.00 C ATOM 848 O GLU A 54 -12.424 4.646 -21.371 1.00 0.00 O ATOM 849 CB GLU A 54 -13.474 1.669 -22.598 1.00 0.00 C ATOM 850 CG GLU A 54 -12.774 2.104 -23.887 1.00 0.00 C ATOM 851 CD GLU A 54 -13.202 1.185 -25.033 1.00 0.00 C ATOM 852 OE1 GLU A 54 -14.237 1.448 -25.622 1.00 0.00 O ATOM 853 OE2 GLU A 54 -12.487 0.233 -25.301 1.00 0.00 O ATOM 0 H GLU A 54 -13.755 0.731 -20.309 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.671 2.243 -21.565 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -13.482 0.581 -22.526 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -14.514 1.996 -22.609 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.028 3.138 -24.121 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.692 2.063 -23.758 1.00 0.00 H new ATOM 860 N LYS A 55 -14.430 3.927 -20.841 1.00 0.00 N ATOM 861 CA LYS A 55 -14.928 5.317 -20.638 1.00 0.00 C ATOM 862 C LYS A 55 -13.900 6.122 -19.840 1.00 0.00 C ATOM 863 O LYS A 55 -13.554 7.232 -20.195 1.00 0.00 O ATOM 864 CB LYS A 55 -16.250 5.274 -19.869 1.00 0.00 C ATOM 865 CG LYS A 55 -17.281 4.476 -20.669 1.00 0.00 C ATOM 866 CD LYS A 55 -18.691 4.882 -20.235 1.00 0.00 C ATOM 867 CE LYS A 55 -19.211 5.987 -21.158 1.00 0.00 C ATOM 868 NZ LYS A 55 -20.035 5.380 -22.242 1.00 0.00 N ATOM 0 H LYS A 55 -15.119 3.192 -20.681 1.00 0.00 H new ATOM 0 HA LYS A 55 -15.083 5.791 -21.607 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -16.099 4.816 -18.891 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -16.614 6.286 -19.694 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -17.151 4.660 -21.735 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -17.133 3.408 -20.509 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -19.357 4.020 -20.272 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -18.679 5.232 -19.203 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -19.807 6.701 -20.589 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -18.376 6.540 -21.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -20.389 6.130 -22.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -19.452 4.715 -22.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -20.839 4.871 -21.823 1.00 0.00 H new ATOM 882 N ALA A 56 -13.410 5.575 -18.762 1.00 0.00 N ATOM 883 CA ALA A 56 -12.407 6.312 -17.941 1.00 0.00 C ATOM 884 C ALA A 56 -11.068 6.356 -18.683 1.00 0.00 C ATOM 885 O ALA A 56 -10.561 7.413 -19.002 1.00 0.00 O ATOM 886 CB ALA A 56 -12.222 5.599 -16.601 1.00 0.00 C ATOM 0 H ALA A 56 -13.660 4.650 -18.414 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.759 7.329 -17.768 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.489 6.137 -16.001 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.174 5.569 -16.071 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.871 4.582 -16.775 1.00 0.00 H new ATOM 892 N ALA A 57 -10.492 5.217 -18.955 1.00 0.00 N ATOM 893 CA ALA A 57 -9.186 5.197 -19.673 1.00 0.00 C ATOM 894 C ALA A 57 -9.147 6.332 -20.697 1.00 0.00 C ATOM 895 O ALA A 57 -8.228 7.127 -20.722 1.00 0.00 O ATOM 896 CB ALA A 57 -9.021 3.856 -20.392 1.00 0.00 C ATOM 0 H ALA A 57 -10.868 4.301 -18.712 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.376 5.328 -18.956 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.066 3.840 -20.918 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.047 3.046 -19.663 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -9.832 3.725 -21.109 1.00 0.00 H new ATOM 902 N VAL A 58 -10.139 6.417 -21.540 1.00 0.00 N ATOM 903 CA VAL A 58 -10.157 7.503 -22.560 1.00 0.00 C ATOM 904 C VAL A 58 -10.125 8.862 -21.858 1.00 0.00 C ATOM 905 O VAL A 58 -9.281 9.692 -22.130 1.00 0.00 O ATOM 906 CB VAL A 58 -11.432 7.395 -23.400 1.00 0.00 C ATOM 907 CG1 VAL A 58 -11.329 8.330 -24.605 1.00 0.00 C ATOM 908 CG2 VAL A 58 -11.603 5.954 -23.888 1.00 0.00 C ATOM 0 H VAL A 58 -10.937 5.782 -21.567 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.286 7.406 -23.208 1.00 0.00 H new ATOM 0 HB VAL A 58 -12.291 7.677 -22.792 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -12.237 8.253 -25.204 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -11.208 9.357 -24.260 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -10.469 8.047 -25.212 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -12.511 5.878 -24.486 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.743 5.671 -24.496 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -11.676 5.286 -23.030 1.00 0.00 H new ATOM 918 N GLU A 59 -11.037 9.095 -20.953 1.00 0.00 N ATOM 919 CA GLU A 59 -11.055 10.400 -20.235 1.00 0.00 C ATOM 920 C GLU A 59 -9.650 10.713 -19.717 1.00 0.00 C ATOM 921 O GLU A 59 -9.187 11.834 -19.787 1.00 0.00 O ATOM 922 CB GLU A 59 -12.030 10.321 -19.058 1.00 0.00 C ATOM 923 CG GLU A 59 -12.741 11.666 -18.894 1.00 0.00 C ATOM 924 CD GLU A 59 -11.747 12.711 -18.386 1.00 0.00 C ATOM 925 OE1 GLU A 59 -10.684 12.318 -17.934 1.00 0.00 O ATOM 926 OE2 GLU A 59 -12.065 13.887 -18.456 1.00 0.00 O ATOM 0 H GLU A 59 -11.769 8.439 -20.681 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.375 11.188 -20.917 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.760 9.530 -19.229 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.493 10.067 -18.144 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.164 11.984 -19.847 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.571 11.568 -18.194 1.00 0.00 H new ATOM 933 N ALA A 60 -8.965 9.728 -19.200 1.00 0.00 N ATOM 934 CA ALA A 60 -7.590 9.971 -18.682 1.00 0.00 C ATOM 935 C ALA A 60 -6.653 10.260 -19.856 1.00 0.00 C ATOM 936 O ALA A 60 -5.746 11.061 -19.757 1.00 0.00 O ATOM 937 CB ALA A 60 -7.100 8.731 -17.932 1.00 0.00 C ATOM 0 H ALA A 60 -9.299 8.768 -19.115 1.00 0.00 H new ATOM 0 HA ALA A 60 -7.600 10.824 -18.003 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.094 8.909 -17.553 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.770 8.522 -17.098 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.087 7.877 -18.610 1.00 0.00 H new ATOM 943 N PHE A 61 -6.868 9.614 -20.969 1.00 0.00 N ATOM 944 CA PHE A 61 -5.992 9.853 -22.150 1.00 0.00 C ATOM 945 C PHE A 61 -6.111 11.317 -22.580 1.00 0.00 C ATOM 946 O PHE A 61 -5.126 12.013 -22.727 1.00 0.00 O ATOM 947 CB PHE A 61 -6.427 8.944 -23.302 1.00 0.00 C ATOM 948 CG PHE A 61 -5.345 8.910 -24.354 1.00 0.00 C ATOM 949 CD1 PHE A 61 -4.067 8.443 -24.029 1.00 0.00 C ATOM 950 CD2 PHE A 61 -5.621 9.347 -25.656 1.00 0.00 C ATOM 951 CE1 PHE A 61 -3.063 8.412 -25.004 1.00 0.00 C ATOM 952 CE2 PHE A 61 -4.617 9.316 -26.631 1.00 0.00 C ATOM 953 CZ PHE A 61 -3.338 8.848 -26.305 1.00 0.00 C ATOM 0 H PHE A 61 -7.612 8.931 -21.111 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.957 9.633 -21.888 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -6.620 7.937 -22.932 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -7.358 9.309 -23.735 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.855 8.106 -23.025 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.608 9.708 -25.907 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.076 8.052 -24.752 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.829 9.653 -27.635 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.564 8.824 -27.058 1.00 0.00 H new ATOM 963 N LYS A 62 -7.310 11.790 -22.782 1.00 0.00 N ATOM 964 CA LYS A 62 -7.490 13.209 -23.199 1.00 0.00 C ATOM 965 C LYS A 62 -6.805 14.124 -22.182 1.00 0.00 C ATOM 966 O LYS A 62 -6.195 15.114 -22.534 1.00 0.00 O ATOM 967 CB LYS A 62 -8.982 13.539 -23.262 1.00 0.00 C ATOM 968 CG LYS A 62 -9.164 15.034 -23.537 1.00 0.00 C ATOM 969 CD LYS A 62 -10.656 15.376 -23.539 1.00 0.00 C ATOM 970 CE LYS A 62 -11.201 15.280 -24.964 1.00 0.00 C ATOM 971 NZ LYS A 62 -10.486 16.253 -25.837 1.00 0.00 N ATOM 0 H LYS A 62 -8.172 11.256 -22.676 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.047 13.360 -24.183 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.462 12.953 -24.046 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.465 13.270 -22.322 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.647 15.620 -22.777 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.719 15.295 -24.497 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.197 14.692 -22.885 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -10.810 16.381 -23.147 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.071 14.268 -25.347 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.271 15.488 -24.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -11.131 16.594 -26.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.160 17.058 -25.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -9.667 15.787 -26.278 1.00 0.00 H new ATOM 985 N MET A 63 -6.901 13.800 -20.921 1.00 0.00 N ATOM 986 CA MET A 63 -6.254 14.651 -19.883 1.00 0.00 C ATOM 987 C MET A 63 -4.785 14.871 -20.250 1.00 0.00 C ATOM 988 O MET A 63 -4.333 15.990 -20.395 1.00 0.00 O ATOM 989 CB MET A 63 -6.340 13.951 -18.525 1.00 0.00 C ATOM 990 CG MET A 63 -6.259 14.994 -17.408 1.00 0.00 C ATOM 991 SD MET A 63 -6.214 14.158 -15.804 1.00 0.00 S ATOM 992 CE MET A 63 -7.815 13.325 -15.938 1.00 0.00 C ATOM 0 H MET A 63 -7.399 12.984 -20.565 1.00 0.00 H new ATOM 0 HA MET A 63 -6.764 15.613 -19.830 1.00 0.00 H new ATOM 0 HB2 MET A 63 -7.274 13.393 -18.450 1.00 0.00 H new ATOM 0 HB3 MET A 63 -5.529 13.230 -18.423 1.00 0.00 H new ATOM 0 HG2 MET A 63 -5.368 15.609 -17.534 1.00 0.00 H new ATOM 0 HG3 MET A 63 -7.118 15.663 -17.457 1.00 0.00 H new ATOM 0 HE1 MET A 63 -8.277 13.263 -14.953 1.00 0.00 H new ATOM 0 HE2 MET A 63 -8.464 13.889 -16.608 1.00 0.00 H new ATOM 0 HE3 MET A 63 -7.670 12.320 -16.334 1.00 0.00 H new ATOM 1002 N GLY A 64 -4.036 13.813 -20.401 1.00 0.00 N ATOM 1003 CA GLY A 64 -2.597 13.963 -20.759 1.00 0.00 C ATOM 1004 C GLY A 64 -1.800 12.800 -20.167 1.00 0.00 C ATOM 1005 O GLY A 64 -0.647 12.942 -19.812 1.00 0.00 O ATOM 0 H GLY A 64 -4.358 12.851 -20.292 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.481 13.983 -21.843 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.214 14.910 -20.380 1.00 0.00 H new ATOM 1009 N PHE A 65 -2.404 11.648 -20.059 1.00 0.00 N ATOM 1010 CA PHE A 65 -1.680 10.476 -19.490 1.00 0.00 C ATOM 1011 C PHE A 65 -1.571 9.379 -20.552 1.00 0.00 C ATOM 1012 O PHE A 65 -2.510 9.105 -21.272 1.00 0.00 O ATOM 1013 CB PHE A 65 -2.448 9.939 -18.280 1.00 0.00 C ATOM 1014 CG PHE A 65 -2.247 10.867 -17.105 1.00 0.00 C ATOM 1015 CD1 PHE A 65 -2.680 12.196 -17.180 1.00 0.00 C ATOM 1016 CD2 PHE A 65 -1.628 10.397 -15.942 1.00 0.00 C ATOM 1017 CE1 PHE A 65 -2.494 13.055 -16.090 1.00 0.00 C ATOM 1018 CE2 PHE A 65 -1.441 11.256 -14.852 1.00 0.00 C ATOM 1019 CZ PHE A 65 -1.875 12.584 -14.926 1.00 0.00 C ATOM 0 H PHE A 65 -3.368 11.468 -20.340 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.681 10.783 -19.179 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.509 9.858 -18.516 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.099 8.937 -18.030 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.157 12.559 -18.078 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.294 9.371 -15.885 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.828 14.080 -16.147 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.962 10.893 -13.955 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.732 13.246 -14.085 1.00 0.00 H new ATOM 1029 N GLU A 66 -0.433 8.748 -20.656 1.00 0.00 N ATOM 1030 CA GLU A 66 -0.271 7.670 -21.672 1.00 0.00 C ATOM 1031 C GLU A 66 -0.852 6.365 -21.124 1.00 0.00 C ATOM 1032 O GLU A 66 -0.144 5.536 -20.586 1.00 0.00 O ATOM 1033 CB GLU A 66 1.215 7.478 -21.981 1.00 0.00 C ATOM 1034 CG GLU A 66 1.402 7.281 -23.487 1.00 0.00 C ATOM 1035 CD GLU A 66 0.476 6.165 -23.974 1.00 0.00 C ATOM 1036 OE1 GLU A 66 0.341 5.182 -23.264 1.00 0.00 O ATOM 1037 OE2 GLU A 66 -0.084 6.312 -25.049 1.00 0.00 O ATOM 0 H GLU A 66 0.390 8.932 -20.082 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.797 7.948 -22.585 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.782 8.345 -21.644 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.601 6.614 -21.440 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.181 8.208 -24.016 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.440 7.029 -23.706 1.00 0.00 H new ATOM 1044 N VAL A 67 -2.136 6.176 -21.254 1.00 0.00 N ATOM 1045 CA VAL A 67 -2.763 4.926 -20.740 1.00 0.00 C ATOM 1046 C VAL A 67 -2.051 3.712 -21.341 1.00 0.00 C ATOM 1047 O VAL A 67 -1.320 3.824 -22.305 1.00 0.00 O ATOM 1048 CB VAL A 67 -4.241 4.898 -21.133 1.00 0.00 C ATOM 1049 CG1 VAL A 67 -4.367 4.842 -22.658 1.00 0.00 C ATOM 1050 CG2 VAL A 67 -4.906 3.663 -20.520 1.00 0.00 C ATOM 0 H VAL A 67 -2.779 6.834 -21.695 1.00 0.00 H new ATOM 0 HA VAL A 67 -2.675 4.896 -19.654 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.732 5.798 -20.764 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.421 4.822 -22.936 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.893 5.721 -23.095 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.877 3.943 -23.031 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.960 3.641 -20.799 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.414 2.763 -20.890 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.819 3.704 -19.434 1.00 0.00 H new ATOM 1060 N LEU A 68 -2.260 2.553 -20.780 1.00 0.00 N ATOM 1061 CA LEU A 68 -1.595 1.333 -21.320 1.00 0.00 C ATOM 1062 C LEU A 68 -2.544 0.139 -21.192 1.00 0.00 C ATOM 1063 O LEU A 68 -3.138 -0.087 -20.157 1.00 0.00 O ATOM 1064 CB LEU A 68 -0.313 1.058 -20.532 1.00 0.00 C ATOM 1065 CG LEU A 68 0.878 1.017 -21.491 1.00 0.00 C ATOM 1066 CD1 LEU A 68 2.182 1.067 -20.692 1.00 0.00 C ATOM 1067 CD2 LEU A 68 0.832 -0.278 -22.306 1.00 0.00 C ATOM 0 H LEU A 68 -2.862 2.398 -19.971 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.346 1.488 -22.370 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.162 1.833 -19.781 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.397 0.111 -19.999 1.00 0.00 H new ATOM 0 HG LEU A 68 0.831 1.874 -22.163 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.030 1.038 -21.377 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.217 1.988 -20.110 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.229 0.211 -20.019 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.680 -0.308 -22.990 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.878 -1.134 -21.632 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.096 -0.316 -22.877 1.00 0.00 H new ATOM 1079 N GLU A 69 -2.692 -0.625 -22.239 1.00 0.00 N ATOM 1080 CA GLU A 69 -3.605 -1.801 -22.183 1.00 0.00 C ATOM 1081 C GLU A 69 -3.486 -2.484 -20.819 1.00 0.00 C ATOM 1082 O GLU A 69 -2.564 -2.240 -20.067 1.00 0.00 O ATOM 1083 CB GLU A 69 -3.226 -2.794 -23.285 1.00 0.00 C ATOM 1084 CG GLU A 69 -1.713 -2.762 -23.507 1.00 0.00 C ATOM 1085 CD GLU A 69 -1.350 -3.671 -24.682 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -2.255 -4.087 -25.386 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -0.172 -3.937 -24.859 1.00 0.00 O ATOM 0 H GLU A 69 -2.219 -0.485 -23.132 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.632 -1.466 -22.330 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.542 -3.799 -23.007 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.745 -2.542 -24.210 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.386 -1.742 -23.708 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.196 -3.091 -22.606 1.00 0.00 H new ATOM 1094 N ALA A 70 -4.417 -3.341 -20.497 1.00 0.00 N ATOM 1095 CA ALA A 70 -4.366 -4.043 -19.184 1.00 0.00 C ATOM 1096 C ALA A 70 -4.207 -5.548 -19.417 1.00 0.00 C ATOM 1097 O ALA A 70 -4.513 -6.056 -20.478 1.00 0.00 O ATOM 1098 CB ALA A 70 -5.663 -3.783 -18.415 1.00 0.00 C ATOM 0 H ALA A 70 -5.212 -3.585 -21.088 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.520 -3.671 -18.606 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.626 -4.297 -17.454 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.779 -2.712 -18.250 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.509 -4.155 -18.993 1.00 0.00 H new ATOM 1104 N GLU A 71 -3.731 -6.264 -18.435 1.00 0.00 N ATOM 1105 CA GLU A 71 -3.554 -7.733 -18.601 1.00 0.00 C ATOM 1106 C GLU A 71 -4.433 -8.470 -17.588 1.00 0.00 C ATOM 1107 O GLU A 71 -4.667 -7.996 -16.494 1.00 0.00 O ATOM 1108 CB GLU A 71 -2.087 -8.097 -18.365 1.00 0.00 C ATOM 1109 CG GLU A 71 -1.556 -7.317 -17.160 1.00 0.00 C ATOM 1110 CD GLU A 71 -1.216 -5.888 -17.588 1.00 0.00 C ATOM 1111 OE1 GLU A 71 -0.310 -5.731 -18.391 1.00 0.00 O ATOM 1112 OE2 GLU A 71 -1.866 -4.975 -17.106 1.00 0.00 O ATOM 0 H GLU A 71 -3.457 -5.894 -17.525 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.843 -8.024 -19.611 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.991 -9.168 -18.189 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.496 -7.865 -19.251 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.302 -7.302 -16.365 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -0.670 -7.808 -16.757 1.00 0.00 H new ATOM 1119 N GLU A 72 -4.926 -9.625 -17.944 1.00 0.00 N ATOM 1120 CA GLU A 72 -5.791 -10.390 -17.002 1.00 0.00 C ATOM 1121 C GLU A 72 -4.977 -10.798 -15.773 1.00 0.00 C ATOM 1122 O GLU A 72 -4.049 -11.577 -15.861 1.00 0.00 O ATOM 1123 CB GLU A 72 -6.321 -11.643 -17.701 1.00 0.00 C ATOM 1124 CG GLU A 72 -7.131 -11.236 -18.934 1.00 0.00 C ATOM 1125 CD GLU A 72 -8.292 -12.213 -19.128 1.00 0.00 C ATOM 1126 OE1 GLU A 72 -9.348 -11.965 -18.570 1.00 0.00 O ATOM 1127 OE2 GLU A 72 -8.106 -13.192 -19.832 1.00 0.00 O ATOM 0 H GLU A 72 -4.767 -10.072 -18.847 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.628 -9.765 -16.690 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.492 -12.287 -17.994 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.945 -12.218 -17.016 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.512 -10.222 -18.813 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.492 -11.234 -19.817 1.00 0.00 H new ATOM 1134 N THR A 73 -5.319 -10.279 -14.624 1.00 0.00 N ATOM 1135 CA THR A 73 -4.568 -10.639 -13.388 1.00 0.00 C ATOM 1136 C THR A 73 -5.512 -11.336 -12.405 1.00 0.00 C ATOM 1137 O THR A 73 -6.338 -12.140 -12.787 1.00 0.00 O ATOM 1138 CB THR A 73 -4.007 -9.369 -12.744 1.00 0.00 C ATOM 1139 OG1 THR A 73 -3.385 -9.701 -11.510 1.00 0.00 O ATOM 1140 CG2 THR A 73 -5.144 -8.377 -12.496 1.00 0.00 C ATOM 0 H THR A 73 -6.087 -9.621 -14.489 1.00 0.00 H new ATOM 0 HA THR A 73 -3.747 -11.310 -13.642 1.00 0.00 H new ATOM 0 HB THR A 73 -3.273 -8.916 -13.410 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.024 -8.889 -11.097 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.744 -7.473 -12.037 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.619 -8.124 -13.444 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.880 -8.827 -11.830 1.00 0.00 H new ATOM 1148 N GLU A 74 -5.397 -11.032 -11.141 1.00 0.00 N ATOM 1149 CA GLU A 74 -6.288 -11.677 -10.136 1.00 0.00 C ATOM 1150 C GLU A 74 -5.930 -11.174 -8.737 1.00 0.00 C ATOM 1151 O GLU A 74 -4.784 -11.202 -8.331 1.00 0.00 O ATOM 1152 CB GLU A 74 -6.109 -13.196 -10.192 1.00 0.00 C ATOM 1153 CG GLU A 74 -4.620 -13.541 -10.127 1.00 0.00 C ATOM 1154 CD GLU A 74 -4.375 -14.887 -10.810 1.00 0.00 C ATOM 1155 OE1 GLU A 74 -5.303 -15.679 -10.862 1.00 0.00 O ATOM 1156 OE2 GLU A 74 -3.267 -15.104 -11.269 1.00 0.00 O ATOM 0 H GLU A 74 -4.725 -10.365 -10.761 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.325 -11.425 -10.359 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.638 -13.665 -9.362 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -6.544 -13.590 -11.111 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.034 -12.762 -10.615 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -4.291 -13.583 -9.089 1.00 0.00 H new ATOM 1163 N ASP A 75 -6.900 -10.714 -7.994 1.00 0.00 N ATOM 1164 CA ASP A 75 -6.613 -10.212 -6.621 1.00 0.00 C ATOM 1165 C ASP A 75 -6.083 -11.360 -5.760 1.00 0.00 C ATOM 1166 O ASP A 75 -5.918 -12.472 -6.225 1.00 0.00 O ATOM 1167 CB ASP A 75 -7.899 -9.658 -5.999 1.00 0.00 C ATOM 1168 CG ASP A 75 -7.696 -8.189 -5.620 1.00 0.00 C ATOM 1169 OD1 ASP A 75 -6.577 -7.833 -5.288 1.00 0.00 O ATOM 1170 OD2 ASP A 75 -8.663 -7.447 -5.670 1.00 0.00 O ATOM 0 H ASP A 75 -7.878 -10.664 -8.279 1.00 0.00 H new ATOM 0 HA ASP A 75 -5.865 -9.420 -6.672 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -8.725 -9.751 -6.704 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -8.167 -10.238 -5.116 1.00 0.00 H new ATOM 1175 N GLU A 76 -5.816 -11.104 -4.510 1.00 0.00 N ATOM 1176 CA GLU A 76 -5.301 -12.184 -3.623 1.00 0.00 C ATOM 1177 C GLU A 76 -6.436 -13.153 -3.288 1.00 0.00 C ATOM 1178 O GLU A 76 -6.458 -13.758 -2.235 1.00 0.00 O ATOM 1179 CB GLU A 76 -4.753 -11.569 -2.332 1.00 0.00 C ATOM 1180 CG GLU A 76 -3.686 -10.527 -2.673 1.00 0.00 C ATOM 1181 CD GLU A 76 -2.412 -11.234 -3.141 1.00 0.00 C ATOM 1182 OE1 GLU A 76 -2.392 -12.454 -3.114 1.00 0.00 O ATOM 1183 OE2 GLU A 76 -1.481 -10.544 -3.518 1.00 0.00 O ATOM 0 H GLU A 76 -5.932 -10.194 -4.064 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.503 -12.723 -4.133 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.561 -11.105 -1.767 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.327 -12.347 -1.699 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.051 -9.859 -3.453 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.473 -9.911 -1.800 1.00 0.00 H new ATOM 1190 N ASP A 77 -7.380 -13.304 -4.176 1.00 0.00 N ATOM 1191 CA ASP A 77 -8.512 -14.235 -3.910 1.00 0.00 C ATOM 1192 C ASP A 77 -8.950 -14.894 -5.220 1.00 0.00 C ATOM 1193 O ASP A 77 -9.337 -16.045 -5.248 1.00 0.00 O ATOM 1194 CB ASP A 77 -9.686 -13.455 -3.313 1.00 0.00 C ATOM 1195 CG ASP A 77 -9.322 -12.984 -1.905 1.00 0.00 C ATOM 1196 OD1 ASP A 77 -8.278 -12.372 -1.757 1.00 0.00 O ATOM 1197 OD2 ASP A 77 -10.095 -13.244 -0.997 1.00 0.00 O ATOM 0 H ASP A 77 -7.416 -12.823 -5.075 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.192 -15.003 -3.206 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.926 -12.599 -3.944 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.575 -14.085 -3.279 1.00 0.00 H new ATOM 1202 N GLY A 78 -8.890 -14.173 -6.307 1.00 0.00 N ATOM 1203 CA GLY A 78 -9.302 -14.761 -7.614 1.00 0.00 C ATOM 1204 C GLY A 78 -10.576 -14.073 -8.107 1.00 0.00 C ATOM 1205 O GLY A 78 -11.624 -14.680 -8.204 1.00 0.00 O ATOM 0 H GLY A 78 -8.574 -13.204 -6.347 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.504 -14.639 -8.347 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.474 -15.832 -7.505 1.00 0.00 H new ATOM 1209 N ASN A 79 -10.494 -12.808 -8.421 1.00 0.00 N ATOM 1210 CA ASN A 79 -11.698 -12.082 -8.910 1.00 0.00 C ATOM 1211 C ASN A 79 -11.544 -11.789 -10.404 1.00 0.00 C ATOM 1212 O ASN A 79 -12.478 -11.383 -11.066 1.00 0.00 O ATOM 1213 CB ASN A 79 -11.843 -10.766 -8.142 1.00 0.00 C ATOM 1214 CG ASN A 79 -12.596 -11.019 -6.834 1.00 0.00 C ATOM 1215 OD1 ASN A 79 -13.796 -11.211 -6.838 1.00 0.00 O ATOM 1216 ND2 ASN A 79 -11.937 -11.028 -5.708 1.00 0.00 N ATOM 0 H ASN A 79 -9.644 -12.247 -8.359 1.00 0.00 H new ATOM 0 HA ASN A 79 -12.585 -12.695 -8.751 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -10.860 -10.345 -7.932 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -12.380 -10.036 -8.748 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -12.429 -11.196 -4.830 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -10.930 -10.867 -5.705 1.00 0.00 H new ATOM 1223 N LYS A 80 -10.373 -11.996 -10.939 1.00 0.00 N ATOM 1224 CA LYS A 80 -10.156 -11.733 -12.389 1.00 0.00 C ATOM 1225 C LYS A 80 -10.581 -10.302 -12.724 1.00 0.00 C ATOM 1226 O LYS A 80 -11.749 -10.012 -12.887 1.00 0.00 O ATOM 1227 CB LYS A 80 -10.990 -12.717 -13.215 1.00 0.00 C ATOM 1228 CG LYS A 80 -10.736 -14.142 -12.721 1.00 0.00 C ATOM 1229 CD LYS A 80 -11.398 -15.138 -13.673 1.00 0.00 C ATOM 1230 CE LYS A 80 -10.502 -16.369 -13.830 1.00 0.00 C ATOM 1231 NZ LYS A 80 -11.343 -17.560 -14.137 1.00 0.00 N ATOM 0 H LYS A 80 -9.555 -12.337 -10.433 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.099 -11.860 -12.624 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -12.049 -12.474 -13.129 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.729 -12.635 -14.270 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -9.664 -14.333 -12.665 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.134 -14.265 -11.714 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.374 -15.432 -13.287 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -11.567 -14.672 -14.644 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -9.778 -16.206 -14.629 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -9.934 -16.538 -12.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -10.734 -18.397 -14.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.017 -17.719 -13.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -11.866 -17.397 -15.021 1.00 0.00 H new ATOM 1245 N LEU A 81 -9.638 -9.404 -12.832 1.00 0.00 N ATOM 1246 CA LEU A 81 -9.987 -7.993 -13.160 1.00 0.00 C ATOM 1247 C LEU A 81 -8.945 -7.421 -14.123 1.00 0.00 C ATOM 1248 O LEU A 81 -7.811 -7.858 -14.156 1.00 0.00 O ATOM 1249 CB LEU A 81 -10.012 -7.157 -11.879 1.00 0.00 C ATOM 1250 CG LEU A 81 -8.806 -7.515 -11.011 1.00 0.00 C ATOM 1251 CD1 LEU A 81 -8.171 -6.236 -10.462 1.00 0.00 C ATOM 1252 CD2 LEU A 81 -9.262 -8.397 -9.846 1.00 0.00 C ATOM 0 H LEU A 81 -8.642 -9.587 -12.707 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.971 -7.964 -13.628 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.994 -6.095 -12.125 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.936 -7.341 -11.330 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.074 -8.053 -11.613 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.311 -6.493 -9.843 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.847 -5.606 -11.290 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.902 -5.696 -9.861 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.403 -8.653 -9.226 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.995 -7.857 -9.246 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.714 -9.309 -10.235 1.00 0.00 H new ATOM 1264 N LEU A 82 -9.319 -6.449 -14.909 1.00 0.00 N ATOM 1265 CA LEU A 82 -8.350 -5.852 -15.871 1.00 0.00 C ATOM 1266 C LEU A 82 -7.610 -4.691 -15.203 1.00 0.00 C ATOM 1267 O LEU A 82 -8.201 -3.874 -14.525 1.00 0.00 O ATOM 1268 CB LEU A 82 -9.105 -5.338 -17.099 1.00 0.00 C ATOM 1269 CG LEU A 82 -9.998 -6.452 -17.655 1.00 0.00 C ATOM 1270 CD1 LEU A 82 -11.460 -6.005 -17.616 1.00 0.00 C ATOM 1271 CD2 LEU A 82 -9.599 -6.753 -19.102 1.00 0.00 C ATOM 0 H LEU A 82 -10.254 -6.042 -14.927 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.629 -6.610 -16.177 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.710 -4.472 -16.830 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.399 -5.009 -17.861 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.875 -7.349 -17.048 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -12.094 -6.799 -18.012 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.748 -5.790 -16.587 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -11.582 -5.107 -18.222 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -10.234 -7.546 -19.497 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.720 -5.855 -19.707 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.558 -7.073 -19.133 1.00 0.00 H new ATOM 1283 N CYS A 83 -6.321 -4.611 -15.392 1.00 0.00 N ATOM 1284 CA CYS A 83 -5.542 -3.503 -14.771 1.00 0.00 C ATOM 1285 C CYS A 83 -4.700 -2.804 -15.841 1.00 0.00 C ATOM 1286 O CYS A 83 -3.721 -3.342 -16.321 1.00 0.00 O ATOM 1287 CB CYS A 83 -4.620 -4.072 -13.690 1.00 0.00 C ATOM 1288 SG CYS A 83 -3.601 -5.389 -14.399 1.00 0.00 S ATOM 0 H CYS A 83 -5.774 -5.266 -15.950 1.00 0.00 H new ATOM 0 HA CYS A 83 -6.229 -2.784 -14.324 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -3.985 -3.283 -13.287 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -5.211 -4.461 -12.861 1.00 0.00 H new ATOM 0 HG CYS A 83 -3.155 -5.014 -15.561 1.00 0.00 H new ATOM 1294 N PHE A 84 -5.069 -1.610 -16.218 1.00 0.00 N ATOM 1295 CA PHE A 84 -4.285 -0.881 -17.255 1.00 0.00 C ATOM 1296 C PHE A 84 -3.258 0.025 -16.573 1.00 0.00 C ATOM 1297 O PHE A 84 -3.329 0.274 -15.386 1.00 0.00 O ATOM 1298 CB PHE A 84 -5.226 -0.031 -18.112 1.00 0.00 C ATOM 1299 CG PHE A 84 -6.207 0.692 -17.222 1.00 0.00 C ATOM 1300 CD1 PHE A 84 -7.235 -0.016 -16.589 1.00 0.00 C ATOM 1301 CD2 PHE A 84 -6.089 2.075 -17.033 1.00 0.00 C ATOM 1302 CE1 PHE A 84 -8.146 0.657 -15.767 1.00 0.00 C ATOM 1303 CE2 PHE A 84 -7.001 2.748 -16.210 1.00 0.00 C ATOM 1304 CZ PHE A 84 -8.028 2.040 -15.578 1.00 0.00 C ATOM 0 H PHE A 84 -5.879 -1.108 -15.853 1.00 0.00 H new ATOM 0 HA PHE A 84 -3.771 -1.601 -17.891 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.652 0.688 -18.697 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.760 -0.664 -18.820 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -7.325 -1.082 -16.735 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.296 2.622 -17.521 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -8.939 0.111 -15.279 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -6.911 3.814 -16.063 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.731 2.560 -14.944 1.00 0.00 H new ATOM 1314 N ASP A 85 -2.299 0.515 -17.311 1.00 0.00 N ATOM 1315 CA ASP A 85 -1.268 1.399 -16.695 1.00 0.00 C ATOM 1316 C ASP A 85 -1.260 2.757 -17.402 1.00 0.00 C ATOM 1317 O ASP A 85 -1.678 2.882 -18.535 1.00 0.00 O ATOM 1318 CB ASP A 85 0.110 0.747 -16.832 1.00 0.00 C ATOM 1319 CG ASP A 85 0.324 -0.241 -15.684 1.00 0.00 C ATOM 1320 OD1 ASP A 85 -0.413 -1.211 -15.618 1.00 0.00 O ATOM 1321 OD2 ASP A 85 1.222 -0.012 -14.891 1.00 0.00 O ATOM 0 H ASP A 85 -2.185 0.342 -18.310 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.502 1.543 -15.640 1.00 0.00 H new ATOM 0 HB2 ASP A 85 0.186 0.231 -17.789 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.888 1.510 -16.819 1.00 0.00 H new ATOM 1326 N ALA A 86 -0.783 3.775 -16.737 1.00 0.00 N ATOM 1327 CA ALA A 86 -0.742 5.128 -17.362 1.00 0.00 C ATOM 1328 C ALA A 86 0.545 5.840 -16.941 1.00 0.00 C ATOM 1329 O ALA A 86 0.948 5.787 -15.796 1.00 0.00 O ATOM 1330 CB ALA A 86 -1.952 5.943 -16.899 1.00 0.00 C ATOM 0 H ALA A 86 -0.419 3.727 -15.785 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.767 5.030 -18.447 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.921 6.932 -17.356 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.869 5.434 -17.196 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.929 6.044 -15.814 1.00 0.00 H new ATOM 1336 N THR A 87 1.197 6.504 -17.856 1.00 0.00 N ATOM 1337 CA THR A 87 2.459 7.215 -17.502 1.00 0.00 C ATOM 1338 C THR A 87 2.226 8.726 -17.541 1.00 0.00 C ATOM 1339 O THR A 87 1.317 9.209 -18.186 1.00 0.00 O ATOM 1340 CB THR A 87 3.552 6.844 -18.508 1.00 0.00 C ATOM 1341 OG1 THR A 87 2.950 6.435 -19.728 1.00 0.00 O ATOM 1342 CG2 THR A 87 4.400 5.701 -17.947 1.00 0.00 C ATOM 0 H THR A 87 0.911 6.585 -18.832 1.00 0.00 H new ATOM 0 HA THR A 87 2.770 6.922 -16.499 1.00 0.00 H new ATOM 0 HB THR A 87 4.189 7.710 -18.688 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.648 6.198 -20.374 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.177 5.439 -18.665 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.862 6.016 -17.011 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.766 4.833 -17.765 1.00 0.00 H new ATOM 1350 N MET A 88 3.042 9.478 -16.853 1.00 0.00 N ATOM 1351 CA MET A 88 2.870 10.958 -16.848 1.00 0.00 C ATOM 1352 C MET A 88 4.207 11.626 -16.520 1.00 0.00 C ATOM 1353 O MET A 88 4.743 11.468 -15.442 1.00 0.00 O ATOM 1354 CB MET A 88 1.834 11.347 -15.792 1.00 0.00 C ATOM 1355 CG MET A 88 1.334 12.766 -16.064 1.00 0.00 C ATOM 1356 SD MET A 88 0.117 12.728 -17.404 1.00 0.00 S ATOM 1357 CE MET A 88 -0.401 14.458 -17.288 1.00 0.00 C ATOM 0 H MET A 88 3.821 9.130 -16.294 1.00 0.00 H new ATOM 0 HA MET A 88 2.530 11.287 -17.830 1.00 0.00 H new ATOM 0 HB2 MET A 88 0.999 10.646 -15.811 1.00 0.00 H new ATOM 0 HB3 MET A 88 2.275 11.290 -14.797 1.00 0.00 H new ATOM 0 HG2 MET A 88 0.886 13.185 -15.163 1.00 0.00 H new ATOM 0 HG3 MET A 88 2.169 13.412 -16.335 1.00 0.00 H new ATOM 0 HE1 MET A 88 -1.292 14.613 -17.897 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.625 14.702 -16.249 1.00 0.00 H new ATOM 0 HE3 MET A 88 0.401 15.103 -17.648 1.00 0.00 H new ATOM 1367 N GLN A 89 4.751 12.372 -17.444 1.00 0.00 N ATOM 1368 CA GLN A 89 6.051 13.050 -17.185 1.00 0.00 C ATOM 1369 C GLN A 89 5.816 14.288 -16.317 1.00 0.00 C ATOM 1370 O GLN A 89 4.886 15.039 -16.529 1.00 0.00 O ATOM 1371 CB GLN A 89 6.682 13.471 -18.514 1.00 0.00 C ATOM 1372 CG GLN A 89 7.206 12.234 -19.247 1.00 0.00 C ATOM 1373 CD GLN A 89 6.658 12.215 -20.675 1.00 0.00 C ATOM 1374 OE1 GLN A 89 7.164 12.902 -21.541 1.00 0.00 O ATOM 1375 NE2 GLN A 89 5.636 11.455 -20.958 1.00 0.00 N ATOM 0 H GLN A 89 4.350 12.540 -18.367 1.00 0.00 H new ATOM 0 HA GLN A 89 6.721 12.364 -16.667 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.946 13.987 -19.130 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.497 14.173 -18.335 1.00 0.00 H new ATOM 0 HG2 GLN A 89 8.296 12.244 -19.265 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.904 11.330 -18.718 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.212 10.879 -20.231 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.261 11.437 -21.906 1.00 0.00 H new ATOM 1384 N SER A 90 6.654 14.507 -15.341 1.00 0.00 N ATOM 1385 CA SER A 90 6.477 15.697 -14.461 1.00 0.00 C ATOM 1386 C SER A 90 7.719 15.874 -13.583 1.00 0.00 C ATOM 1387 O SER A 90 8.450 14.938 -13.329 1.00 0.00 O ATOM 1388 CB SER A 90 5.251 15.493 -13.571 1.00 0.00 C ATOM 1389 OG SER A 90 5.677 15.193 -12.248 1.00 0.00 O ATOM 0 H SER A 90 7.453 13.914 -15.115 1.00 0.00 H new ATOM 0 HA SER A 90 6.338 16.586 -15.076 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.633 16.391 -13.572 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.635 14.682 -13.960 1.00 0.00 H new ATOM 0 HG SER A 90 4.894 15.063 -11.674 1.00 0.00 H new ATOM 1395 N ALA A 91 7.962 17.069 -13.118 1.00 0.00 N ATOM 1396 CA ALA A 91 9.155 17.308 -12.258 1.00 0.00 C ATOM 1397 C ALA A 91 9.034 16.484 -10.972 1.00 0.00 C ATOM 1398 O ALA A 91 8.005 15.903 -10.691 1.00 0.00 O ATOM 1399 CB ALA A 91 9.238 18.794 -11.904 1.00 0.00 C ATOM 0 H ALA A 91 7.385 17.891 -13.297 1.00 0.00 H new ATOM 0 HA ALA A 91 10.055 17.010 -12.796 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.110 18.970 -11.275 1.00 0.00 H new ATOM 0 HB2 ALA A 91 9.325 19.381 -12.818 1.00 0.00 H new ATOM 0 HB3 ALA A 91 8.337 19.091 -11.367 1.00 0.00 H new ATOM 1405 N LEU A 92 10.078 16.431 -10.190 1.00 0.00 N ATOM 1406 CA LEU A 92 10.022 15.647 -8.925 1.00 0.00 C ATOM 1407 C LEU A 92 9.591 16.560 -7.776 1.00 0.00 C ATOM 1408 O LEU A 92 10.406 17.197 -7.138 1.00 0.00 O ATOM 1409 CB LEU A 92 11.404 15.066 -8.619 1.00 0.00 C ATOM 1410 CG LEU A 92 11.334 14.237 -7.336 1.00 0.00 C ATOM 1411 CD1 LEU A 92 10.397 13.047 -7.547 1.00 0.00 C ATOM 1412 CD2 LEU A 92 12.733 13.727 -6.981 1.00 0.00 C ATOM 0 H LEU A 92 10.967 16.897 -10.373 1.00 0.00 H new ATOM 0 HA LEU A 92 9.303 14.836 -9.036 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.741 14.445 -9.449 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.132 15.870 -8.506 1.00 0.00 H new ATOM 0 HG LEU A 92 10.956 14.858 -6.524 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.347 12.456 -6.632 1.00 0.00 H new ATOM 0 HD12 LEU A 92 9.400 13.409 -7.800 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.774 12.426 -8.360 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.684 13.136 -6.066 1.00 0.00 H new ATOM 0 HD22 LEU A 92 13.111 13.107 -7.794 1.00 0.00 H new ATOM 0 HD23 LEU A 92 13.402 14.574 -6.830 1.00 0.00 H new ATOM 1424 N ASP A 93 8.317 16.626 -7.506 1.00 0.00 N ATOM 1425 CA ASP A 93 7.836 17.497 -6.397 1.00 0.00 C ATOM 1426 C ASP A 93 6.521 16.940 -5.848 1.00 0.00 C ATOM 1427 O ASP A 93 5.578 16.714 -6.579 1.00 0.00 O ATOM 1428 CB ASP A 93 7.610 18.914 -6.925 1.00 0.00 C ATOM 1429 CG ASP A 93 8.936 19.678 -6.924 1.00 0.00 C ATOM 1430 OD1 ASP A 93 9.405 20.010 -5.849 1.00 0.00 O ATOM 1431 OD2 ASP A 93 9.460 19.916 -8.000 1.00 0.00 O ATOM 0 H ASP A 93 7.589 16.115 -8.005 1.00 0.00 H new ATOM 0 HA ASP A 93 8.581 17.521 -5.602 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.201 18.876 -7.935 1.00 0.00 H new ATOM 0 HB3 ASP A 93 6.879 19.432 -6.304 1.00 0.00 H new ATOM 1436 N ALA A 94 6.452 16.715 -4.565 1.00 0.00 N ATOM 1437 CA ALA A 94 5.200 16.171 -3.970 1.00 0.00 C ATOM 1438 C ALA A 94 4.002 16.987 -4.458 1.00 0.00 C ATOM 1439 O ALA A 94 3.116 16.475 -5.111 1.00 0.00 O ATOM 1440 CB ALA A 94 5.283 16.250 -2.444 1.00 0.00 C ATOM 0 H ALA A 94 7.209 16.885 -3.903 1.00 0.00 H new ATOM 0 HA ALA A 94 5.078 15.132 -4.275 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.366 15.852 -2.009 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.134 15.665 -2.095 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.407 17.289 -2.140 1.00 0.00 H new ATOM 1446 N LYS A 95 3.967 18.254 -4.145 1.00 0.00 N ATOM 1447 CA LYS A 95 2.823 19.102 -4.589 1.00 0.00 C ATOM 1448 C LYS A 95 2.346 18.642 -5.968 1.00 0.00 C ATOM 1449 O LYS A 95 1.168 18.462 -6.200 1.00 0.00 O ATOM 1450 CB LYS A 95 3.272 20.562 -4.665 1.00 0.00 C ATOM 1451 CG LYS A 95 3.035 21.239 -3.315 1.00 0.00 C ATOM 1452 CD LYS A 95 3.327 22.736 -3.434 1.00 0.00 C ATOM 1453 CE LYS A 95 2.085 23.457 -3.959 1.00 0.00 C ATOM 1454 NZ LYS A 95 2.499 24.538 -4.899 1.00 0.00 N ATOM 0 H LYS A 95 4.681 18.739 -3.601 1.00 0.00 H new ATOM 0 HA LYS A 95 2.005 19.009 -3.875 1.00 0.00 H new ATOM 0 HB2 LYS A 95 4.328 20.616 -4.930 1.00 0.00 H new ATOM 0 HB3 LYS A 95 2.720 21.083 -5.447 1.00 0.00 H new ATOM 0 HG2 LYS A 95 2.005 21.083 -2.995 1.00 0.00 H new ATOM 0 HG3 LYS A 95 3.676 20.792 -2.555 1.00 0.00 H new ATOM 0 HD2 LYS A 95 3.612 23.140 -2.463 1.00 0.00 H new ATOM 0 HD3 LYS A 95 4.168 22.901 -4.107 1.00 0.00 H new ATOM 0 HE2 LYS A 95 1.428 22.750 -4.467 1.00 0.00 H new ATOM 0 HE3 LYS A 95 1.518 23.879 -3.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.655 25.029 -5.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 3.109 25.217 -4.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 3.022 24.123 -5.696 1.00 0.00 H new ATOM 1468 N LEU A 96 3.253 18.453 -6.888 1.00 0.00 N ATOM 1469 CA LEU A 96 2.849 18.006 -8.251 1.00 0.00 C ATOM 1470 C LEU A 96 2.208 16.620 -8.167 1.00 0.00 C ATOM 1471 O LEU A 96 1.019 16.463 -8.360 1.00 0.00 O ATOM 1472 CB LEU A 96 4.082 17.947 -9.154 1.00 0.00 C ATOM 1473 CG LEU A 96 4.326 19.324 -9.775 1.00 0.00 C ATOM 1474 CD1 LEU A 96 4.345 20.385 -8.674 1.00 0.00 C ATOM 1475 CD2 LEU A 96 5.672 19.322 -10.505 1.00 0.00 C ATOM 0 H LEU A 96 4.255 18.589 -6.754 1.00 0.00 H new ATOM 0 HA LEU A 96 2.129 18.711 -8.666 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.954 17.637 -8.578 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.937 17.203 -9.938 1.00 0.00 H new ATOM 0 HG LEU A 96 3.528 19.550 -10.482 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.519 21.366 -9.117 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.387 20.386 -8.154 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.142 20.160 -7.966 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.847 20.302 -10.948 1.00 0.00 H new ATOM 0 HD22 LEU A 96 6.469 19.096 -9.797 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.659 18.566 -11.290 1.00 0.00 H new ATOM 1487 N ILE A 97 2.986 15.612 -7.878 1.00 0.00 N ATOM 1488 CA ILE A 97 2.416 14.238 -7.781 1.00 0.00 C ATOM 1489 C ILE A 97 1.075 14.299 -7.046 1.00 0.00 C ATOM 1490 O ILE A 97 0.237 13.430 -7.189 1.00 0.00 O ATOM 1491 CB ILE A 97 3.380 13.338 -7.005 1.00 0.00 C ATOM 1492 CG1 ILE A 97 4.650 13.118 -7.832 1.00 0.00 C ATOM 1493 CG2 ILE A 97 2.712 11.988 -6.734 1.00 0.00 C ATOM 1494 CD1 ILE A 97 5.823 12.826 -6.895 1.00 0.00 C ATOM 0 H ILE A 97 3.989 15.680 -7.705 1.00 0.00 H new ATOM 0 HA ILE A 97 2.268 13.833 -8.782 1.00 0.00 H new ATOM 0 HB ILE A 97 3.638 13.814 -6.059 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.507 12.288 -8.524 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.863 14.001 -8.434 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.399 11.347 -6.181 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.807 12.141 -6.147 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.454 11.513 -7.681 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.728 12.669 -7.482 1.00 0.00 H new ATOM 0 HD12 ILE A 97 5.970 13.670 -6.221 1.00 0.00 H new ATOM 0 HD13 ILE A 97 5.609 11.930 -6.312 1.00 0.00 H new ATOM 1506 N ASP A 98 0.868 15.321 -6.262 1.00 0.00 N ATOM 1507 CA ASP A 98 -0.417 15.443 -5.516 1.00 0.00 C ATOM 1508 C ASP A 98 -1.523 15.878 -6.481 1.00 0.00 C ATOM 1509 O ASP A 98 -2.609 15.336 -6.478 1.00 0.00 O ATOM 1510 CB ASP A 98 -0.263 16.490 -4.408 1.00 0.00 C ATOM 1511 CG ASP A 98 -0.519 15.839 -3.049 1.00 0.00 C ATOM 1512 OD1 ASP A 98 -1.657 15.481 -2.790 1.00 0.00 O ATOM 1513 OD2 ASP A 98 0.426 15.708 -2.289 1.00 0.00 O ATOM 0 H ASP A 98 1.534 16.078 -6.105 1.00 0.00 H new ATOM 0 HA ASP A 98 -0.678 14.482 -5.074 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.739 16.918 -4.435 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -0.964 17.309 -4.568 1.00 0.00 H new ATOM 1518 N GLU A 99 -1.254 16.853 -7.304 1.00 0.00 N ATOM 1519 CA GLU A 99 -2.290 17.321 -8.268 1.00 0.00 C ATOM 1520 C GLU A 99 -2.599 16.203 -9.266 1.00 0.00 C ATOM 1521 O GLU A 99 -3.744 15.923 -9.565 1.00 0.00 O ATOM 1522 CB GLU A 99 -1.767 18.544 -9.025 1.00 0.00 C ATOM 1523 CG GLU A 99 -2.201 19.824 -8.303 1.00 0.00 C ATOM 1524 CD GLU A 99 -3.420 20.419 -9.009 1.00 0.00 C ATOM 1525 OE1 GLU A 99 -4.434 19.744 -9.067 1.00 0.00 O ATOM 1526 OE2 GLU A 99 -3.319 21.540 -9.480 1.00 0.00 O ATOM 0 H GLU A 99 -0.362 17.346 -7.351 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.197 17.588 -7.725 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -0.680 18.504 -9.093 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -2.150 18.543 -10.045 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -2.441 19.604 -7.263 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -1.384 20.545 -8.296 1.00 0.00 H new ATOM 1533 N GLN A 100 -1.588 15.563 -9.784 1.00 0.00 N ATOM 1534 CA GLN A 100 -1.825 14.465 -10.763 1.00 0.00 C ATOM 1535 C GLN A 100 -2.658 13.363 -10.104 1.00 0.00 C ATOM 1536 O GLN A 100 -3.752 13.058 -10.535 1.00 0.00 O ATOM 1537 CB GLN A 100 -0.482 13.888 -11.215 1.00 0.00 C ATOM 1538 CG GLN A 100 0.393 15.010 -11.777 1.00 0.00 C ATOM 1539 CD GLN A 100 1.049 14.542 -13.077 1.00 0.00 C ATOM 1540 OE1 GLN A 100 1.646 13.486 -13.124 1.00 0.00 O ATOM 1541 NE2 GLN A 100 0.963 15.292 -14.142 1.00 0.00 N ATOM 0 H GLN A 100 -0.608 15.752 -9.572 1.00 0.00 H new ATOM 0 HA GLN A 100 -2.362 14.858 -11.626 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.020 13.407 -10.376 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.640 13.121 -11.974 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -0.210 15.899 -11.961 1.00 0.00 H new ATOM 0 HG3 GLN A 100 1.157 15.288 -11.051 1.00 0.00 H new ATOM 0 HE21 GLN A 100 0.461 16.179 -14.102 1.00 0.00 H new ATOM 0 HE22 GLN A 100 1.398 14.991 -15.014 1.00 0.00 H new ATOM 1550 N VAL A 101 -2.149 12.761 -9.064 1.00 0.00 N ATOM 1551 CA VAL A 101 -2.914 11.680 -8.383 1.00 0.00 C ATOM 1552 C VAL A 101 -4.294 12.205 -7.980 1.00 0.00 C ATOM 1553 O VAL A 101 -5.303 11.571 -8.214 1.00 0.00 O ATOM 1554 CB VAL A 101 -2.156 11.223 -7.136 1.00 0.00 C ATOM 1555 CG1 VAL A 101 -2.971 10.151 -6.410 1.00 0.00 C ATOM 1556 CG2 VAL A 101 -0.803 10.640 -7.547 1.00 0.00 C ATOM 0 H VAL A 101 -1.237 12.971 -8.657 1.00 0.00 H new ATOM 0 HA VAL A 101 -3.032 10.837 -9.064 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.000 12.074 -6.473 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.432 9.824 -5.521 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.937 10.564 -6.118 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.126 9.300 -7.074 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.262 10.314 -6.658 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.960 9.788 -8.209 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.221 11.401 -8.067 1.00 0.00 H new ATOM 1566 N GLU A 102 -4.348 13.362 -7.377 1.00 0.00 N ATOM 1567 CA GLU A 102 -5.665 13.926 -6.965 1.00 0.00 C ATOM 1568 C GLU A 102 -6.625 13.876 -8.153 1.00 0.00 C ATOM 1569 O GLU A 102 -7.810 13.657 -7.999 1.00 0.00 O ATOM 1570 CB GLU A 102 -5.485 15.375 -6.511 1.00 0.00 C ATOM 1571 CG GLU A 102 -6.791 15.888 -5.900 1.00 0.00 C ATOM 1572 CD GLU A 102 -7.566 16.689 -6.948 1.00 0.00 C ATOM 1573 OE1 GLU A 102 -7.578 16.271 -8.095 1.00 0.00 O ATOM 1574 OE2 GLU A 102 -8.131 17.707 -6.588 1.00 0.00 O ATOM 0 H GLU A 102 -3.538 13.940 -7.152 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.072 13.341 -6.140 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -4.679 15.440 -5.780 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -5.198 15.999 -7.357 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -7.394 15.051 -5.548 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -6.578 16.514 -5.033 1.00 0.00 H new ATOM 1581 N LYS A 103 -6.121 14.072 -9.340 1.00 0.00 N ATOM 1582 CA LYS A 103 -7.000 14.029 -10.542 1.00 0.00 C ATOM 1583 C LYS A 103 -7.465 12.589 -10.770 1.00 0.00 C ATOM 1584 O LYS A 103 -8.645 12.308 -10.824 1.00 0.00 O ATOM 1585 CB LYS A 103 -6.216 14.512 -11.765 1.00 0.00 C ATOM 1586 CG LYS A 103 -6.780 15.852 -12.240 1.00 0.00 C ATOM 1587 CD LYS A 103 -6.769 16.853 -11.082 1.00 0.00 C ATOM 1588 CE LYS A 103 -6.325 18.226 -11.592 1.00 0.00 C ATOM 1589 NZ LYS A 103 -4.846 18.349 -11.461 1.00 0.00 N ATOM 0 H LYS A 103 -5.137 14.260 -9.530 1.00 0.00 H new ATOM 0 HA LYS A 103 -7.864 14.675 -10.389 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.161 14.619 -11.514 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -6.280 13.775 -12.565 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.186 16.234 -13.070 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.797 15.720 -12.610 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -7.763 16.923 -10.639 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -6.094 16.510 -10.298 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.620 18.352 -12.634 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -6.818 19.014 -11.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -4.480 18.962 -12.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -4.613 18.764 -10.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -4.411 17.407 -11.538 1.00 0.00 H new ATOM 1603 N LEU A 104 -6.542 11.675 -10.901 1.00 0.00 N ATOM 1604 CA LEU A 104 -6.925 10.253 -11.122 1.00 0.00 C ATOM 1605 C LEU A 104 -7.862 9.799 -10.002 1.00 0.00 C ATOM 1606 O LEU A 104 -8.619 8.860 -10.154 1.00 0.00 O ATOM 1607 CB LEU A 104 -5.666 9.382 -11.118 1.00 0.00 C ATOM 1608 CG LEU A 104 -4.767 9.778 -12.290 1.00 0.00 C ATOM 1609 CD1 LEU A 104 -3.480 8.953 -12.248 1.00 0.00 C ATOM 1610 CD2 LEU A 104 -5.501 9.511 -13.606 1.00 0.00 C ATOM 0 H LEU A 104 -5.538 11.853 -10.864 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.432 10.156 -12.082 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.130 9.504 -10.177 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.939 8.330 -11.195 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.521 10.837 -12.218 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.839 9.235 -13.083 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.957 9.141 -11.310 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.725 7.893 -12.320 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.862 9.793 -14.443 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.746 8.451 -13.677 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.419 10.099 -13.637 1.00 0.00 H new ATOM 1622 N VAL A 105 -7.817 10.457 -8.877 1.00 0.00 N ATOM 1623 CA VAL A 105 -8.705 10.064 -7.747 1.00 0.00 C ATOM 1624 C VAL A 105 -10.139 10.501 -8.048 1.00 0.00 C ATOM 1625 O VAL A 105 -11.064 9.716 -7.986 1.00 0.00 O ATOM 1626 CB VAL A 105 -8.223 10.743 -6.464 1.00 0.00 C ATOM 1627 CG1 VAL A 105 -9.384 10.843 -5.472 1.00 0.00 C ATOM 1628 CG2 VAL A 105 -7.093 9.918 -5.844 1.00 0.00 C ATOM 0 H VAL A 105 -7.203 11.250 -8.691 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.676 8.982 -7.620 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.858 11.743 -6.698 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.041 11.327 -4.558 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.190 11.430 -5.913 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.750 9.843 -5.238 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -6.749 10.401 -4.930 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -7.458 8.918 -5.610 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.265 9.846 -6.550 1.00 0.00 H new ATOM 1638 N ASN A 106 -10.332 11.750 -8.374 1.00 0.00 N ATOM 1639 CA ASN A 106 -11.707 12.237 -8.678 1.00 0.00 C ATOM 1640 C ASN A 106 -12.249 11.508 -9.909 1.00 0.00 C ATOM 1641 O ASN A 106 -13.406 11.143 -9.967 1.00 0.00 O ATOM 1642 CB ASN A 106 -11.665 13.742 -8.955 1.00 0.00 C ATOM 1643 CG ASN A 106 -11.801 14.507 -7.638 1.00 0.00 C ATOM 1644 OD1 ASN A 106 -12.897 14.750 -7.174 1.00 0.00 O ATOM 1645 ND2 ASN A 106 -10.726 14.902 -7.013 1.00 0.00 N ATOM 0 H ASN A 106 -9.597 12.454 -8.443 1.00 0.00 H new ATOM 0 HA ASN A 106 -12.357 12.041 -7.825 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -10.728 14.006 -9.446 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -12.471 14.020 -9.634 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -10.806 15.415 -6.135 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -9.806 14.698 -7.402 1.00 0.00 H new ATOM 1652 N LEU A 107 -11.421 11.292 -10.894 1.00 0.00 N ATOM 1653 CA LEU A 107 -11.889 10.588 -12.121 1.00 0.00 C ATOM 1654 C LEU A 107 -12.252 9.142 -11.774 1.00 0.00 C ATOM 1655 O LEU A 107 -13.351 8.689 -12.024 1.00 0.00 O ATOM 1656 CB LEU A 107 -10.773 10.595 -13.169 1.00 0.00 C ATOM 1657 CG LEU A 107 -11.255 9.894 -14.441 1.00 0.00 C ATOM 1658 CD1 LEU A 107 -12.124 10.853 -15.257 1.00 0.00 C ATOM 1659 CD2 LEU A 107 -10.044 9.469 -15.275 1.00 0.00 C ATOM 0 H LEU A 107 -10.440 11.573 -10.902 1.00 0.00 H new ATOM 0 HA LEU A 107 -12.767 11.097 -12.519 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -10.481 11.620 -13.396 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.890 10.091 -12.777 1.00 0.00 H new ATOM 0 HG LEU A 107 -11.841 9.015 -14.172 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -12.467 10.352 -16.163 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -12.986 11.158 -14.663 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -11.540 11.733 -15.527 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.384 8.969 -16.182 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.460 10.349 -15.543 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -9.424 8.785 -14.695 1.00 0.00 H new ATOM 1671 N ALA A 108 -11.333 8.412 -11.204 1.00 0.00 N ATOM 1672 CA ALA A 108 -11.620 6.995 -10.846 1.00 0.00 C ATOM 1673 C ALA A 108 -13.004 6.896 -10.198 1.00 0.00 C ATOM 1674 O ALA A 108 -13.850 6.141 -10.634 1.00 0.00 O ATOM 1675 CB ALA A 108 -10.560 6.493 -9.863 1.00 0.00 C ATOM 0 H ALA A 108 -10.395 8.737 -10.971 1.00 0.00 H new ATOM 0 HA ALA A 108 -11.600 6.384 -11.748 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -10.769 5.456 -9.600 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -9.575 6.559 -10.325 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -10.580 7.106 -8.962 1.00 0.00 H new ATOM 1681 N GLU A 109 -13.239 7.649 -9.159 1.00 0.00 N ATOM 1682 CA GLU A 109 -14.566 7.592 -8.482 1.00 0.00 C ATOM 1683 C GLU A 109 -15.645 8.156 -9.410 1.00 0.00 C ATOM 1684 O GLU A 109 -16.797 7.775 -9.339 1.00 0.00 O ATOM 1685 CB GLU A 109 -14.516 8.419 -7.196 1.00 0.00 C ATOM 1686 CG GLU A 109 -13.390 7.895 -6.301 1.00 0.00 C ATOM 1687 CD GLU A 109 -13.529 6.381 -6.139 1.00 0.00 C ATOM 1688 OE1 GLU A 109 -13.010 5.665 -6.979 1.00 0.00 O ATOM 1689 OE2 GLU A 109 -14.153 5.962 -5.177 1.00 0.00 O ATOM 0 H GLU A 109 -12.570 8.301 -8.749 1.00 0.00 H new ATOM 0 HA GLU A 109 -14.804 6.556 -8.242 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -14.349 9.470 -7.432 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -15.470 8.357 -6.673 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -12.421 8.137 -6.738 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -13.430 8.381 -5.326 1.00 0.00 H new ATOM 1696 N LYS A 110 -15.284 9.060 -10.280 1.00 0.00 N ATOM 1697 CA LYS A 110 -16.294 9.644 -11.207 1.00 0.00 C ATOM 1698 C LYS A 110 -16.943 8.525 -12.025 1.00 0.00 C ATOM 1699 O LYS A 110 -18.103 8.597 -12.381 1.00 0.00 O ATOM 1700 CB LYS A 110 -15.609 10.633 -12.152 1.00 0.00 C ATOM 1701 CG LYS A 110 -16.669 11.457 -12.885 1.00 0.00 C ATOM 1702 CD LYS A 110 -16.096 11.963 -14.211 1.00 0.00 C ATOM 1703 CE LYS A 110 -17.212 12.599 -15.041 1.00 0.00 C ATOM 1704 NZ LYS A 110 -17.129 12.107 -16.445 1.00 0.00 N ATOM 0 H LYS A 110 -14.335 9.419 -10.389 1.00 0.00 H new ATOM 0 HA LYS A 110 -17.059 10.163 -10.629 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -14.947 11.291 -11.589 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -14.990 10.096 -12.870 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -17.555 10.849 -13.068 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -16.982 12.299 -12.267 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -15.307 12.692 -14.024 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -15.644 11.138 -14.762 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -18.184 12.351 -14.614 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -17.122 13.685 -15.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -17.888 12.539 -17.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -16.206 12.365 -16.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -17.235 11.072 -16.457 1.00 0.00 H new ATOM 1718 N PHE A 111 -16.205 7.493 -12.328 1.00 0.00 N ATOM 1719 CA PHE A 111 -16.783 6.374 -13.125 1.00 0.00 C ATOM 1720 C PHE A 111 -17.144 5.215 -12.191 1.00 0.00 C ATOM 1721 O PHE A 111 -18.300 4.982 -11.897 1.00 0.00 O ATOM 1722 CB PHE A 111 -15.760 5.900 -14.158 1.00 0.00 C ATOM 1723 CG PHE A 111 -15.898 6.725 -15.415 1.00 0.00 C ATOM 1724 CD1 PHE A 111 -16.971 6.498 -16.286 1.00 0.00 C ATOM 1725 CD2 PHE A 111 -14.956 7.719 -15.708 1.00 0.00 C ATOM 1726 CE1 PHE A 111 -17.100 7.264 -17.451 1.00 0.00 C ATOM 1727 CE2 PHE A 111 -15.087 8.485 -16.873 1.00 0.00 C ATOM 1728 CZ PHE A 111 -16.159 8.258 -17.744 1.00 0.00 C ATOM 0 H PHE A 111 -15.228 7.376 -12.059 1.00 0.00 H new ATOM 0 HA PHE A 111 -17.681 6.719 -13.638 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -14.751 5.994 -13.757 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -15.916 4.845 -14.383 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -17.698 5.733 -16.059 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -14.129 7.895 -15.036 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -17.926 7.088 -18.124 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -14.360 9.251 -17.100 1.00 0.00 H new ATOM 0 HZ PHE A 111 -16.260 8.850 -18.642 1.00 0.00 H new ATOM 1738 N ASP A 112 -16.167 4.486 -11.723 1.00 0.00 N ATOM 1739 CA ASP A 112 -16.465 3.347 -10.810 1.00 0.00 C ATOM 1740 C ASP A 112 -15.222 2.464 -10.664 1.00 0.00 C ATOM 1741 O ASP A 112 -15.318 1.264 -10.501 1.00 0.00 O ATOM 1742 CB ASP A 112 -17.614 2.517 -11.388 1.00 0.00 C ATOM 1743 CG ASP A 112 -18.903 2.832 -10.627 1.00 0.00 C ATOM 1744 OD1 ASP A 112 -18.895 2.709 -9.413 1.00 0.00 O ATOM 1745 OD2 ASP A 112 -19.875 3.191 -11.270 1.00 0.00 O ATOM 0 H ASP A 112 -15.179 4.630 -11.933 1.00 0.00 H new ATOM 0 HA ASP A 112 -16.750 3.734 -9.832 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -17.741 2.740 -12.447 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -17.384 1.454 -11.311 1.00 0.00 H new ATOM 1750 N ILE A 113 -14.055 3.048 -10.718 1.00 0.00 N ATOM 1751 CA ILE A 113 -12.812 2.238 -10.578 1.00 0.00 C ATOM 1752 C ILE A 113 -12.056 2.680 -9.323 1.00 0.00 C ATOM 1753 O ILE A 113 -12.340 3.714 -8.749 1.00 0.00 O ATOM 1754 CB ILE A 113 -11.927 2.448 -11.808 1.00 0.00 C ATOM 1755 CG1 ILE A 113 -11.645 3.943 -11.980 1.00 0.00 C ATOM 1756 CG2 ILE A 113 -12.647 1.920 -13.051 1.00 0.00 C ATOM 1757 CD1 ILE A 113 -10.690 4.154 -13.158 1.00 0.00 C ATOM 0 H ILE A 113 -13.909 4.049 -10.853 1.00 0.00 H new ATOM 0 HA ILE A 113 -13.071 1.183 -10.493 1.00 0.00 H new ATOM 0 HB ILE A 113 -10.987 1.911 -11.677 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -12.577 4.481 -12.153 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -11.208 4.348 -11.067 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -12.017 2.070 -13.928 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -12.852 0.856 -12.929 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -13.586 2.457 -13.183 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -10.491 5.219 -13.279 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -9.754 3.629 -12.966 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -11.144 3.764 -14.069 1.00 0.00 H new ATOM 1769 N ILE A 114 -11.097 1.907 -8.890 1.00 0.00 N ATOM 1770 CA ILE A 114 -10.330 2.288 -7.669 1.00 0.00 C ATOM 1771 C ILE A 114 -8.885 2.618 -8.047 1.00 0.00 C ATOM 1772 O ILE A 114 -8.259 1.922 -8.821 1.00 0.00 O ATOM 1773 CB ILE A 114 -10.337 1.123 -6.675 1.00 0.00 C ATOM 1774 CG1 ILE A 114 -9.125 1.244 -5.744 1.00 0.00 C ATOM 1775 CG2 ILE A 114 -10.260 -0.201 -7.437 1.00 0.00 C ATOM 1776 CD1 ILE A 114 -9.250 0.237 -4.600 1.00 0.00 C ATOM 0 H ILE A 114 -10.812 1.031 -9.327 1.00 0.00 H new ATOM 0 HA ILE A 114 -10.795 3.162 -7.214 1.00 0.00 H new ATOM 0 HB ILE A 114 -11.255 1.151 -6.089 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -8.206 1.063 -6.302 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -9.061 2.256 -5.345 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -10.265 -1.029 -6.729 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -11.118 -0.288 -8.103 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -9.342 -0.231 -8.023 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -8.387 0.326 -3.941 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -10.160 0.439 -4.035 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -9.292 -0.773 -5.007 1.00 0.00 H new ATOM 1788 N TYR A 115 -8.347 3.671 -7.495 1.00 0.00 N ATOM 1789 CA TYR A 115 -6.939 4.041 -7.808 1.00 0.00 C ATOM 1790 C TYR A 115 -6.049 3.636 -6.630 1.00 0.00 C ATOM 1791 O TYR A 115 -6.092 4.233 -5.573 1.00 0.00 O ATOM 1792 CB TYR A 115 -6.847 5.557 -8.037 1.00 0.00 C ATOM 1793 CG TYR A 115 -5.530 6.082 -7.509 1.00 0.00 C ATOM 1794 CD1 TYR A 115 -4.353 5.886 -8.242 1.00 0.00 C ATOM 1795 CD2 TYR A 115 -5.489 6.761 -6.286 1.00 0.00 C ATOM 1796 CE1 TYR A 115 -3.134 6.370 -7.750 1.00 0.00 C ATOM 1797 CE2 TYR A 115 -4.269 7.244 -5.794 1.00 0.00 C ATOM 1798 CZ TYR A 115 -3.092 7.050 -6.527 1.00 0.00 C ATOM 1799 OH TYR A 115 -1.891 7.526 -6.042 1.00 0.00 O ATOM 0 H TYR A 115 -8.823 4.291 -6.840 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.608 3.526 -8.710 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -6.936 5.778 -9.101 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -7.675 6.059 -7.537 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -4.385 5.362 -9.186 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -6.397 6.913 -5.722 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -2.226 6.218 -8.315 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -4.237 7.766 -4.849 1.00 0.00 H new ATOM 0 HH TYR A 115 -1.778 7.241 -5.111 1.00 0.00 H new ATOM 1809 N ASP A 116 -5.245 2.622 -6.800 1.00 0.00 N ATOM 1810 CA ASP A 116 -4.363 2.181 -5.683 1.00 0.00 C ATOM 1811 C ASP A 116 -3.079 1.570 -6.250 1.00 0.00 C ATOM 1812 O ASP A 116 -2.956 0.367 -6.368 1.00 0.00 O ATOM 1813 CB ASP A 116 -5.097 1.136 -4.840 1.00 0.00 C ATOM 1814 CG ASP A 116 -4.079 0.285 -4.081 1.00 0.00 C ATOM 1815 OD1 ASP A 116 -3.071 0.831 -3.663 1.00 0.00 O ATOM 1816 OD2 ASP A 116 -4.322 -0.902 -3.929 1.00 0.00 O ATOM 0 H ASP A 116 -5.161 2.082 -7.661 1.00 0.00 H new ATOM 0 HA ASP A 116 -4.109 3.040 -5.061 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -5.771 1.628 -4.138 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -5.711 0.503 -5.481 1.00 0.00 H new ATOM 1821 N GLY A 117 -2.121 2.385 -6.600 1.00 0.00 N ATOM 1822 CA GLY A 117 -0.850 1.839 -7.154 1.00 0.00 C ATOM 1823 C GLY A 117 -0.094 2.936 -7.909 1.00 0.00 C ATOM 1824 O GLY A 117 -0.245 3.095 -9.103 1.00 0.00 O ATOM 0 H GLY A 117 -2.163 3.401 -6.527 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -0.230 1.448 -6.347 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -1.064 1.006 -7.824 1.00 0.00 H new ATOM 1828 N TRP A 118 0.725 3.688 -7.224 1.00 0.00 N ATOM 1829 CA TRP A 118 1.494 4.768 -7.908 1.00 0.00 C ATOM 1830 C TRP A 118 2.980 4.626 -7.558 1.00 0.00 C ATOM 1831 O TRP A 118 3.336 4.362 -6.428 1.00 0.00 O ATOM 1832 CB TRP A 118 0.972 6.138 -7.453 1.00 0.00 C ATOM 1833 CG TRP A 118 1.803 6.658 -6.321 1.00 0.00 C ATOM 1834 CD1 TRP A 118 1.616 6.355 -5.015 1.00 0.00 C ATOM 1835 CD2 TRP A 118 2.943 7.565 -6.371 1.00 0.00 C ATOM 1836 NE1 TRP A 118 2.570 7.016 -4.262 1.00 0.00 N ATOM 1837 CE2 TRP A 118 3.410 7.775 -5.052 1.00 0.00 C ATOM 1838 CE3 TRP A 118 3.611 8.220 -7.423 1.00 0.00 C ATOM 1839 CZ2 TRP A 118 4.502 8.604 -4.786 1.00 0.00 C ATOM 1840 CZ3 TRP A 118 4.709 9.054 -7.158 1.00 0.00 C ATOM 1841 CH2 TRP A 118 5.154 9.246 -5.841 1.00 0.00 C ATOM 0 H TRP A 118 0.895 3.602 -6.222 1.00 0.00 H new ATOM 0 HA TRP A 118 1.369 4.685 -8.988 1.00 0.00 H new ATOM 0 HB2 TRP A 118 0.999 6.840 -8.286 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -0.069 6.053 -7.141 1.00 0.00 H new ATOM 0 HD1 TRP A 118 0.848 5.704 -4.625 1.00 0.00 H new ATOM 0 HE1 TRP A 118 2.644 6.951 -3.247 1.00 0.00 H new ATOM 0 HE3 TRP A 118 3.277 8.080 -8.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 4.840 8.748 -3.770 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 5.214 9.551 -7.973 1.00 0.00 H new ATOM 0 HH2 TRP A 118 5.999 9.889 -5.644 1.00 0.00 H new ATOM 1852 N GLY A 119 3.848 4.796 -8.518 1.00 0.00 N ATOM 1853 CA GLY A 119 5.306 4.667 -8.231 1.00 0.00 C ATOM 1854 C GLY A 119 6.107 5.502 -9.229 1.00 0.00 C ATOM 1855 O GLY A 119 5.599 5.932 -10.246 1.00 0.00 O ATOM 0 H GLY A 119 3.612 5.018 -9.485 1.00 0.00 H new ATOM 0 HA2 GLY A 119 5.516 4.999 -7.214 1.00 0.00 H new ATOM 0 HA3 GLY A 119 5.607 3.621 -8.294 1.00 0.00 H new ATOM 1859 N THR A 120 7.361 5.735 -8.947 1.00 0.00 N ATOM 1860 CA THR A 120 8.199 6.541 -9.878 1.00 0.00 C ATOM 1861 C THR A 120 9.392 5.705 -10.342 1.00 0.00 C ATOM 1862 O THR A 120 9.776 4.744 -9.706 1.00 0.00 O ATOM 1863 CB THR A 120 8.705 7.793 -9.156 1.00 0.00 C ATOM 1864 OG1 THR A 120 9.506 8.558 -10.047 1.00 0.00 O ATOM 1865 CG2 THR A 120 9.538 7.385 -7.940 1.00 0.00 C ATOM 0 H THR A 120 7.841 5.401 -8.111 1.00 0.00 H new ATOM 0 HA THR A 120 7.602 6.835 -10.741 1.00 0.00 H new ATOM 0 HB THR A 120 7.855 8.390 -8.825 1.00 0.00 H new ATOM 0 HG1 THR A 120 9.058 8.623 -10.916 1.00 0.00 H new ATOM 0 HG21 THR A 120 9.897 8.278 -7.428 1.00 0.00 H new ATOM 0 HG22 THR A 120 8.923 6.798 -7.258 1.00 0.00 H new ATOM 0 HG23 THR A 120 10.389 6.787 -8.266 1.00 0.00 H new ATOM 1873 N TYR A 121 9.985 6.064 -11.448 1.00 0.00 N ATOM 1874 CA TYR A 121 11.153 5.290 -11.955 1.00 0.00 C ATOM 1875 C TYR A 121 12.447 5.926 -11.440 1.00 0.00 C ATOM 1876 O TYR A 121 12.653 7.118 -11.555 1.00 0.00 O ATOM 1877 CB TYR A 121 11.148 5.308 -13.486 1.00 0.00 C ATOM 1878 CG TYR A 121 11.268 3.896 -14.010 1.00 0.00 C ATOM 1879 CD1 TYR A 121 12.524 3.286 -14.093 1.00 0.00 C ATOM 1880 CD2 TYR A 121 10.123 3.200 -14.414 1.00 0.00 C ATOM 1881 CE1 TYR A 121 12.635 1.977 -14.580 1.00 0.00 C ATOM 1882 CE2 TYR A 121 10.233 1.893 -14.901 1.00 0.00 C ATOM 1883 CZ TYR A 121 11.489 1.281 -14.985 1.00 0.00 C ATOM 1884 OH TYR A 121 11.599 -0.008 -15.465 1.00 0.00 O ATOM 0 H TYR A 121 9.711 6.861 -12.023 1.00 0.00 H new ATOM 0 HA TYR A 121 11.090 4.260 -11.603 1.00 0.00 H new ATOM 0 HB2 TYR A 121 10.228 5.765 -13.851 1.00 0.00 H new ATOM 0 HB3 TYR A 121 11.974 5.915 -13.855 1.00 0.00 H new ATOM 0 HD1 TYR A 121 13.408 3.824 -13.782 1.00 0.00 H new ATOM 0 HD2 TYR A 121 9.154 3.672 -14.350 1.00 0.00 H new ATOM 0 HE1 TYR A 121 13.604 1.505 -14.643 1.00 0.00 H new ATOM 0 HE2 TYR A 121 9.349 1.356 -15.212 1.00 0.00 H new ATOM 0 HH TYR A 121 10.710 -0.346 -15.701 1.00 0.00 H new ATOM 1894 N TYR A 122 13.322 5.140 -10.873 1.00 0.00 N ATOM 1895 CA TYR A 122 14.601 5.699 -10.353 1.00 0.00 C ATOM 1896 C TYR A 122 15.477 6.141 -11.527 1.00 0.00 C ATOM 1897 O TYR A 122 15.820 5.355 -12.388 1.00 0.00 O ATOM 1898 CB TYR A 122 15.335 4.626 -9.545 1.00 0.00 C ATOM 1899 CG TYR A 122 15.980 5.256 -8.334 1.00 0.00 C ATOM 1900 CD1 TYR A 122 17.038 6.158 -8.494 1.00 0.00 C ATOM 1901 CD2 TYR A 122 15.520 4.935 -7.051 1.00 0.00 C ATOM 1902 CE1 TYR A 122 17.636 6.741 -7.370 1.00 0.00 C ATOM 1903 CE2 TYR A 122 16.118 5.517 -5.928 1.00 0.00 C ATOM 1904 CZ TYR A 122 17.177 6.420 -6.087 1.00 0.00 C ATOM 1905 OH TYR A 122 17.767 6.993 -4.979 1.00 0.00 O ATOM 0 H TYR A 122 13.205 4.134 -10.748 1.00 0.00 H new ATOM 0 HA TYR A 122 14.391 6.556 -9.713 1.00 0.00 H new ATOM 0 HB2 TYR A 122 14.636 3.849 -9.235 1.00 0.00 H new ATOM 0 HB3 TYR A 122 16.092 4.145 -10.164 1.00 0.00 H new ATOM 0 HD1 TYR A 122 17.393 6.404 -9.484 1.00 0.00 H new ATOM 0 HD2 TYR A 122 14.704 4.238 -6.928 1.00 0.00 H new ATOM 0 HE1 TYR A 122 18.451 7.438 -7.493 1.00 0.00 H new ATOM 0 HE2 TYR A 122 15.763 5.270 -4.938 1.00 0.00 H new ATOM 0 HH TYR A 122 18.725 6.787 -4.976 1.00 0.00 H new ATOM 1915 N GLU A 123 15.843 7.393 -11.571 1.00 0.00 N ATOM 1916 CA GLU A 123 16.696 7.880 -12.691 1.00 0.00 C ATOM 1917 C GLU A 123 18.154 7.505 -12.421 1.00 0.00 C ATOM 1918 O GLU A 123 18.977 8.347 -12.122 1.00 0.00 O ATOM 1919 CB GLU A 123 16.571 9.402 -12.804 1.00 0.00 C ATOM 1920 CG GLU A 123 15.190 9.761 -13.356 1.00 0.00 C ATOM 1921 CD GLU A 123 15.310 10.121 -14.838 1.00 0.00 C ATOM 1922 OE1 GLU A 123 15.870 9.328 -15.576 1.00 0.00 O ATOM 1923 OE2 GLU A 123 14.838 11.183 -15.209 1.00 0.00 O ATOM 0 H GLU A 123 15.588 8.099 -10.880 1.00 0.00 H new ATOM 0 HA GLU A 123 16.370 7.420 -13.624 1.00 0.00 H new ATOM 0 HB2 GLU A 123 16.715 9.863 -11.827 1.00 0.00 H new ATOM 0 HB3 GLU A 123 17.349 9.794 -13.459 1.00 0.00 H new ATOM 0 HG2 GLU A 123 14.507 8.921 -13.229 1.00 0.00 H new ATOM 0 HG3 GLU A 123 14.771 10.600 -12.800 1.00 0.00 H new ATOM 1930 N GLY A 124 18.482 6.245 -12.524 1.00 0.00 N ATOM 1931 CA GLY A 124 19.887 5.816 -12.273 1.00 0.00 C ATOM 1932 C GLY A 124 19.972 4.290 -12.329 1.00 0.00 C ATOM 1933 O GLY A 124 20.221 3.635 -11.336 1.00 0.00 O ATOM 0 H GLY A 124 17.837 5.494 -12.771 1.00 0.00 H new ATOM 0 HA2 GLY A 124 20.551 6.255 -13.017 1.00 0.00 H new ATOM 0 HA3 GLY A 124 20.219 6.174 -11.298 1.00 0.00 H new ATOM 1937 N LEU A 125 19.763 3.717 -13.483 1.00 0.00 N ATOM 1938 CA LEU A 125 19.829 2.233 -13.601 1.00 0.00 C ATOM 1939 C LEU A 125 20.671 1.853 -14.821 1.00 0.00 C ATOM 1940 O LEU A 125 20.150 1.485 -15.856 1.00 0.00 O ATOM 1941 CB LEU A 125 18.415 1.673 -13.762 1.00 0.00 C ATOM 1942 CG LEU A 125 17.526 2.211 -12.640 1.00 0.00 C ATOM 1943 CD1 LEU A 125 16.057 1.941 -12.976 1.00 0.00 C ATOM 1944 CD2 LEU A 125 17.884 1.510 -11.328 1.00 0.00 C ATOM 0 H LEU A 125 19.550 4.212 -14.349 1.00 0.00 H new ATOM 0 HA LEU A 125 20.286 1.817 -12.703 1.00 0.00 H new ATOM 0 HB2 LEU A 125 18.007 1.957 -14.732 1.00 0.00 H new ATOM 0 HB3 LEU A 125 18.438 0.584 -13.733 1.00 0.00 H new ATOM 0 HG LEU A 125 17.683 3.285 -12.536 1.00 0.00 H new ATOM 0 HD11 LEU A 125 15.424 2.325 -12.176 1.00 0.00 H new ATOM 0 HD12 LEU A 125 15.800 2.438 -13.912 1.00 0.00 H new ATOM 0 HD13 LEU A 125 15.899 0.868 -13.080 1.00 0.00 H new ATOM 0 HD21 LEU A 125 17.251 1.892 -10.527 1.00 0.00 H new ATOM 0 HD22 LEU A 125 17.726 0.437 -11.434 1.00 0.00 H new ATOM 0 HD23 LEU A 125 18.930 1.701 -11.087 1.00 0.00 H new ATOM 1956 N GLU A 126 21.968 1.934 -14.708 1.00 0.00 N ATOM 1957 CA GLU A 126 22.842 1.575 -15.860 1.00 0.00 C ATOM 1958 C GLU A 126 23.804 0.462 -15.438 1.00 0.00 C ATOM 1959 O GLU A 126 23.864 0.088 -14.283 1.00 0.00 O ATOM 1960 CB GLU A 126 23.641 2.805 -16.298 1.00 0.00 C ATOM 1961 CG GLU A 126 22.750 3.716 -17.146 1.00 0.00 C ATOM 1962 CD GLU A 126 22.394 3.007 -18.454 1.00 0.00 C ATOM 1963 OE1 GLU A 126 23.219 3.013 -19.352 1.00 0.00 O ATOM 1964 OE2 GLU A 126 21.301 2.471 -18.536 1.00 0.00 O ATOM 0 H GLU A 126 22.461 2.234 -13.867 1.00 0.00 H new ATOM 0 HA GLU A 126 22.227 1.229 -16.691 1.00 0.00 H new ATOM 0 HB2 GLU A 126 24.005 3.345 -15.424 1.00 0.00 H new ATOM 0 HB3 GLU A 126 24.516 2.498 -16.871 1.00 0.00 H new ATOM 0 HG2 GLU A 126 21.842 3.968 -16.598 1.00 0.00 H new ATOM 0 HG3 GLU A 126 23.265 4.653 -17.356 1.00 0.00 H new ATOM 1971 N HIS A 127 24.555 -0.074 -16.361 1.00 0.00 N ATOM 1972 CA HIS A 127 25.506 -1.163 -16.004 1.00 0.00 C ATOM 1973 C HIS A 127 26.609 -0.604 -15.102 1.00 0.00 C ATOM 1974 O HIS A 127 27.642 -0.163 -15.566 1.00 0.00 O ATOM 1975 CB HIS A 127 26.131 -1.740 -17.278 1.00 0.00 C ATOM 1976 CG HIS A 127 26.337 -0.642 -18.284 1.00 0.00 C ATOM 1977 ND1 HIS A 127 26.617 0.665 -17.908 1.00 0.00 N ATOM 1978 CD2 HIS A 127 26.312 -0.641 -19.656 1.00 0.00 C ATOM 1979 CE1 HIS A 127 26.750 1.391 -19.035 1.00 0.00 C ATOM 1980 NE2 HIS A 127 26.573 0.642 -20.124 1.00 0.00 N ATOM 0 H HIS A 127 24.551 0.195 -17.345 1.00 0.00 H new ATOM 0 HA HIS A 127 24.969 -1.951 -15.476 1.00 0.00 H new ATOM 0 HB2 HIS A 127 27.084 -2.215 -17.044 1.00 0.00 H new ATOM 0 HB3 HIS A 127 25.484 -2.511 -17.695 1.00 0.00 H new ATOM 0 HD1 HIS A 127 26.706 1.012 -16.953 1.00 0.00 H new ATOM 0 HD2 HIS A 127 26.119 -1.504 -20.277 1.00 0.00 H new ATOM 0 HE1 HIS A 127 26.972 2.448 -19.054 1.00 0.00 H new ATOM 1988 N HIS A 128 26.398 -0.620 -13.814 1.00 0.00 N ATOM 1989 CA HIS A 128 27.432 -0.089 -12.881 1.00 0.00 C ATOM 1990 C HIS A 128 27.928 1.267 -13.383 1.00 0.00 C ATOM 1991 O HIS A 128 27.483 1.766 -14.398 1.00 0.00 O ATOM 1992 CB HIS A 128 28.608 -1.066 -12.811 1.00 0.00 C ATOM 1993 CG HIS A 128 28.216 -2.266 -11.995 1.00 0.00 C ATOM 1994 ND1 HIS A 128 27.514 -2.153 -10.804 1.00 0.00 N ATOM 1995 CD2 HIS A 128 28.416 -3.612 -12.186 1.00 0.00 C ATOM 1996 CE1 HIS A 128 27.318 -3.397 -10.327 1.00 0.00 C ATOM 1997 NE2 HIS A 128 27.848 -4.319 -11.133 1.00 0.00 N ATOM 0 H HIS A 128 25.554 -0.978 -13.367 1.00 0.00 H new ATOM 0 HA HIS A 128 26.996 0.028 -11.889 1.00 0.00 H new ATOM 0 HB2 HIS A 128 28.898 -1.375 -13.815 1.00 0.00 H new ATOM 0 HB3 HIS A 128 29.474 -0.577 -12.365 1.00 0.00 H new ATOM 0 HD2 HIS A 128 28.934 -4.052 -13.025 1.00 0.00 H new ATOM 0 HE1 HIS A 128 26.797 -3.620 -9.408 1.00 0.00 H new ATOM 0 HE2 HIS A 128 27.838 -5.331 -11.003 1.00 0.00 H new ATOM 2005 N HIS A 129 28.850 1.868 -12.682 1.00 0.00 N ATOM 2006 CA HIS A 129 29.375 3.192 -13.119 1.00 0.00 C ATOM 2007 C HIS A 129 30.474 2.985 -14.164 1.00 0.00 C ATOM 2008 O HIS A 129 30.238 3.072 -15.353 1.00 0.00 O ATOM 2009 CB HIS A 129 29.952 3.934 -11.913 1.00 0.00 C ATOM 2010 CG HIS A 129 30.334 5.331 -12.319 1.00 0.00 C ATOM 2011 ND1 HIS A 129 31.414 5.996 -11.757 1.00 0.00 N ATOM 2012 CD2 HIS A 129 29.790 6.201 -13.231 1.00 0.00 C ATOM 2013 CE1 HIS A 129 31.487 7.211 -12.331 1.00 0.00 C ATOM 2014 NE2 HIS A 129 30.520 7.384 -13.235 1.00 0.00 N ATOM 0 H HIS A 129 29.262 1.499 -11.825 1.00 0.00 H new ATOM 0 HA HIS A 129 28.566 3.779 -13.554 1.00 0.00 H new ATOM 0 HB2 HIS A 129 29.219 3.966 -11.107 1.00 0.00 H new ATOM 0 HB3 HIS A 129 30.824 3.404 -11.530 1.00 0.00 H new ATOM 0 HD2 HIS A 129 28.928 5.998 -13.850 1.00 0.00 H new ATOM 0 HE1 HIS A 129 32.234 7.953 -12.091 1.00 0.00 H new ATOM 0 HE2 HIS A 129 30.352 8.211 -13.808 1.00 0.00 H new ATOM 2022 N HIS A 130 31.674 2.711 -13.730 1.00 0.00 N ATOM 2023 CA HIS A 130 32.787 2.499 -14.697 1.00 0.00 C ATOM 2024 C HIS A 130 34.065 2.151 -13.932 1.00 0.00 C ATOM 2025 O HIS A 130 35.112 2.723 -14.162 1.00 0.00 O ATOM 2026 CB HIS A 130 33.008 3.777 -15.509 1.00 0.00 C ATOM 2027 CG HIS A 130 33.502 3.417 -16.884 1.00 0.00 C ATOM 2028 ND1 HIS A 130 33.430 4.302 -17.950 1.00 0.00 N ATOM 2029 CD2 HIS A 130 34.075 2.274 -17.383 1.00 0.00 C ATOM 2030 CE1 HIS A 130 33.948 3.682 -19.028 1.00 0.00 C ATOM 2031 NE2 HIS A 130 34.354 2.445 -18.734 1.00 0.00 N ATOM 0 H HIS A 130 31.931 2.625 -12.747 1.00 0.00 H new ATOM 0 HA HIS A 130 32.533 1.681 -15.372 1.00 0.00 H new ATOM 0 HB2 HIS A 130 32.078 4.341 -15.581 1.00 0.00 H new ATOM 0 HB3 HIS A 130 33.732 4.419 -15.007 1.00 0.00 H new ATOM 0 HD2 HIS A 130 34.278 1.379 -16.813 1.00 0.00 H new ATOM 0 HE1 HIS A 130 34.025 4.130 -20.008 1.00 0.00 H new ATOM 0 HE2 HIS A 130 34.779 1.768 -19.367 1.00 0.00 H new ATOM 2039 N HIS A 131 33.986 1.217 -13.024 1.00 0.00 N ATOM 2040 CA HIS A 131 35.194 0.832 -12.243 1.00 0.00 C ATOM 2041 C HIS A 131 35.019 -0.590 -11.708 1.00 0.00 C ATOM 2042 O HIS A 131 35.912 -1.410 -11.790 1.00 0.00 O ATOM 2043 CB HIS A 131 35.377 1.801 -11.072 1.00 0.00 C ATOM 2044 CG HIS A 131 36.836 1.894 -10.718 1.00 0.00 C ATOM 2045 ND1 HIS A 131 37.397 3.050 -10.194 1.00 0.00 N ATOM 2046 CD2 HIS A 131 37.861 0.984 -10.802 1.00 0.00 C ATOM 2047 CE1 HIS A 131 38.705 2.808 -9.985 1.00 0.00 C ATOM 2048 NE2 HIS A 131 39.036 1.566 -10.339 1.00 0.00 N ATOM 0 H HIS A 131 33.136 0.704 -12.790 1.00 0.00 H new ATOM 0 HA HIS A 131 36.073 0.874 -12.886 1.00 0.00 H new ATOM 0 HB2 HIS A 131 34.993 2.786 -11.338 1.00 0.00 H new ATOM 0 HB3 HIS A 131 34.804 1.458 -10.210 1.00 0.00 H new ATOM 0 HD2 HIS A 131 37.769 -0.027 -11.171 1.00 0.00 H new ATOM 0 HE1 HIS A 131 39.399 3.530 -9.581 1.00 0.00 H new ATOM 0 HE2 HIS A 131 39.958 1.133 -10.282 1.00 0.00 H new ATOM 2056 N HIS A 132 33.873 -0.891 -11.161 1.00 0.00 N ATOM 2057 CA HIS A 132 33.642 -2.261 -10.624 1.00 0.00 C ATOM 2058 C HIS A 132 32.770 -3.054 -11.601 1.00 0.00 C ATOM 2059 O HIS A 132 32.906 -4.265 -11.637 1.00 0.00 O ATOM 2060 CB HIS A 132 32.935 -2.166 -9.271 1.00 0.00 C ATOM 2061 CG HIS A 132 33.950 -1.897 -8.194 1.00 0.00 C ATOM 2062 ND1 HIS A 132 34.389 -2.887 -7.325 1.00 0.00 N ATOM 2063 CD2 HIS A 132 34.624 -0.755 -7.832 1.00 0.00 C ATOM 2064 CE1 HIS A 132 35.288 -2.328 -6.493 1.00 0.00 C ATOM 2065 NE2 HIS A 132 35.465 -1.034 -6.761 1.00 0.00 N ATOM 2066 OXT HIS A 132 31.981 -2.435 -12.295 1.00 0.00 O ATOM 0 H HIS A 132 33.088 -0.248 -11.063 1.00 0.00 H new ATOM 0 HA HIS A 132 34.599 -2.767 -10.499 1.00 0.00 H new ATOM 0 HB2 HIS A 132 32.191 -1.369 -9.292 1.00 0.00 H new ATOM 0 HB3 HIS A 132 32.403 -3.094 -9.061 1.00 0.00 H new ATOM 0 HD2 HIS A 132 34.517 0.209 -8.306 1.00 0.00 H new ATOM 0 HE1 HIS A 132 35.802 -2.861 -5.707 1.00 0.00 H new ATOM 0 HE2 HIS A 132 36.088 -0.384 -6.280 1.00 0.00 H new TER 2074 HIS A 132