USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 805 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 67 MET CE :methyl -106:sc= -1.1 (180deg=-1.68!) USER MOD Set 1.2: A 68 SER OG : rot -71:sc= -0.647 USER MOD Set 1.3: A 71 GLN : amide:sc= -0.149 X(o=-1.9,f=-1.6) USER MOD Set 2.1: A 39 SER OG : rot -23:sc= -0.532 USER MOD Set 2.2: A 42 THR OG1 : rot -6:sc= 0.947 USER MOD Set 3.1: A 26 HIS : no HE2:sc= -5.11! C(o=-3.5!,f=-5.5!) USER MOD Set 3.2: A 40 SER OG : rot 116:sc= 1.61 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -104:sc= 0.0677 (180deg=-0.0315) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00993 USER MOD Single : A 15 THR OG1 : rot 94:sc= 1.28 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -170:sc= -0.0692 (180deg=-0.311) USER MOD Single : A 21 GLN : amide:sc= -1.47 K(o=-1.5,f=-0.29) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 150:sc= -0.788 USER MOD Single : A 30 THR OG1 : rot 68:sc= 0.825 USER MOD Single : A 35 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.053) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.287 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 CYS SG : rot 25:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.346 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot -48:sc= 1.55 USER MOD Single : A 85 SER OG : rot 180:sc= 0.136 USER MOD Single : A 88 HIS : no HD1:sc= -0.119 X(o=-0.12,f=-0.53) USER MOD Single : A 95 ASN : amide:sc= -2.85 K(o=-2.9,f=-4.3!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.00118 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.783 -1.161 0.520 1.00 0.00 N ATOM 2 CA MET A 1 1.926 -0.423 -0.729 1.00 0.00 C ATOM 3 C MET A 1 1.383 -1.232 -1.903 1.00 0.00 C ATOM 4 O MET A 1 1.221 -2.448 -1.810 1.00 0.00 O ATOM 5 CB MET A 1 3.394 -0.070 -0.973 1.00 0.00 C ATOM 6 CG MET A 1 3.893 1.081 -0.114 1.00 0.00 C ATOM 7 SD MET A 1 5.675 1.023 0.157 1.00 0.00 S ATOM 8 CE MET A 1 5.966 2.654 0.838 1.00 0.00 C ATOM 0 H1 MET A 1 0.989 -0.769 1.066 1.00 0.00 H new ATOM 0 H2 MET A 1 1.599 -2.163 0.312 1.00 0.00 H new ATOM 0 H3 MET A 1 2.659 -1.078 1.075 1.00 0.00 H new ATOM 0 HA MET A 1 1.348 0.498 -0.646 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.008 -0.950 -0.779 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.528 0.187 -2.024 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.633 2.025 -0.592 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.382 1.059 0.849 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.027 2.772 1.059 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.659 3.410 0.115 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.389 2.774 1.755 1.00 0.00 H new ATOM 18 N GLY A 2 1.104 -0.547 -3.009 1.00 0.00 N ATOM 19 CA GLY A 2 0.582 -1.219 -4.185 1.00 0.00 C ATOM 20 C GLY A 2 -0.925 -1.098 -4.301 1.00 0.00 C ATOM 21 O GLY A 2 -1.492 -1.315 -5.372 1.00 0.00 O ATOM 0 H GLY A 2 1.230 0.460 -3.111 1.00 0.00 H new ATOM 0 HA2 GLY A 2 1.047 -0.798 -5.077 1.00 0.00 H new ATOM 0 HA3 GLY A 2 0.857 -2.273 -4.149 1.00 0.00 H new ATOM 25 N VAL A 3 -1.576 -0.753 -3.195 1.00 0.00 N ATOM 26 CA VAL A 3 -3.026 -0.604 -3.177 1.00 0.00 C ATOM 27 C VAL A 3 -3.450 0.538 -2.260 1.00 0.00 C ATOM 28 O VAL A 3 -3.042 0.600 -1.100 1.00 0.00 O ATOM 29 CB VAL A 3 -3.718 -1.901 -2.716 1.00 0.00 C ATOM 30 CG1 VAL A 3 -3.177 -2.344 -1.365 1.00 0.00 C ATOM 31 CG2 VAL A 3 -5.226 -1.709 -2.658 1.00 0.00 C ATOM 0 H VAL A 3 -1.122 -0.571 -2.300 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.334 -0.380 -4.198 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.502 -2.685 -3.442 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.678 -3.262 -1.056 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.105 -2.524 -1.444 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.360 -1.564 -0.626 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.698 -2.635 -2.331 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.464 -0.911 -1.954 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.597 -1.443 -3.648 1.00 0.00 H new ATOM 41 N GLN A 4 -4.271 1.440 -2.788 1.00 0.00 N ATOM 42 CA GLN A 4 -4.750 2.581 -2.017 1.00 0.00 C ATOM 43 C GLN A 4 -6.267 2.533 -1.858 1.00 0.00 C ATOM 44 O GLN A 4 -6.983 2.112 -2.766 1.00 0.00 O ATOM 45 CB GLN A 4 -4.338 3.890 -2.692 1.00 0.00 C ATOM 46 CG GLN A 4 -3.168 4.583 -2.012 1.00 0.00 C ATOM 47 CD GLN A 4 -1.830 3.985 -2.401 1.00 0.00 C ATOM 48 OE1 GLN A 4 -1.248 4.348 -3.424 1.00 0.00 O ATOM 49 NE2 GLN A 4 -1.333 3.064 -1.584 1.00 0.00 N ATOM 0 H GLN A 4 -4.618 1.403 -3.746 1.00 0.00 H new ATOM 0 HA GLN A 4 -4.297 2.533 -1.027 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -4.076 3.687 -3.730 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -5.192 4.567 -2.706 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -3.178 5.642 -2.271 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -3.290 4.518 -0.931 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -1.849 2.793 -0.747 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -0.435 2.627 -1.793 1.00 0.00 H new ATOM 58 N VAL A 5 -6.749 2.966 -0.698 1.00 0.00 N ATOM 59 CA VAL A 5 -8.181 2.973 -0.420 1.00 0.00 C ATOM 60 C VAL A 5 -8.689 4.392 -0.190 1.00 0.00 C ATOM 61 O VAL A 5 -8.216 5.095 0.703 1.00 0.00 O ATOM 62 CB VAL A 5 -8.518 2.113 0.812 1.00 0.00 C ATOM 63 CG1 VAL A 5 -7.709 2.566 2.017 1.00 0.00 C ATOM 64 CG2 VAL A 5 -10.009 2.168 1.108 1.00 0.00 C ATOM 0 H VAL A 5 -6.170 3.317 0.065 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.675 2.550 -1.295 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.252 1.078 0.595 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.961 1.947 2.878 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.646 2.469 1.799 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -7.940 3.608 2.240 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -10.229 1.555 1.982 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.303 3.199 1.305 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.565 1.790 0.250 1.00 0.00 H new ATOM 74 N VAL A 6 -9.656 4.807 -1.002 1.00 0.00 N ATOM 75 CA VAL A 6 -10.231 6.142 -0.886 1.00 0.00 C ATOM 76 C VAL A 6 -11.634 6.087 -0.293 1.00 0.00 C ATOM 77 O VAL A 6 -12.616 5.886 -1.009 1.00 0.00 O ATOM 78 CB VAL A 6 -10.291 6.848 -2.254 1.00 0.00 C ATOM 79 CG1 VAL A 6 -10.747 8.290 -2.091 1.00 0.00 C ATOM 80 CG2 VAL A 6 -8.938 6.783 -2.946 1.00 0.00 C ATOM 0 H VAL A 6 -10.058 4.238 -1.747 1.00 0.00 H new ATOM 0 HA VAL A 6 -9.581 6.710 -0.220 1.00 0.00 H new ATOM 0 HB VAL A 6 -11.019 6.331 -2.879 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.783 8.773 -3.068 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.739 8.309 -1.640 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -10.046 8.823 -1.449 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.998 7.286 -3.911 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.188 7.275 -2.326 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.656 5.741 -3.097 1.00 0.00 H new ATOM 90 N THR A 7 -11.723 6.268 1.021 1.00 0.00 N ATOM 91 CA THR A 7 -13.006 6.238 1.712 1.00 0.00 C ATOM 92 C THR A 7 -14.018 7.153 1.032 1.00 0.00 C ATOM 93 O THR A 7 -13.772 8.348 0.859 1.00 0.00 O ATOM 94 CB THR A 7 -12.860 6.659 3.186 1.00 0.00 C ATOM 95 OG1 THR A 7 -11.685 6.067 3.750 1.00 0.00 O ATOM 96 CG2 THR A 7 -14.081 6.241 3.992 1.00 0.00 C ATOM 0 H THR A 7 -10.921 6.437 1.628 1.00 0.00 H new ATOM 0 HA THR A 7 -13.364 5.209 1.669 1.00 0.00 H new ATOM 0 HB THR A 7 -12.774 7.745 3.224 1.00 0.00 H new ATOM 0 HG1 THR A 7 -11.598 6.341 4.687 1.00 0.00 H new ATOM 0 HG21 THR A 7 -13.955 6.549 5.030 1.00 0.00 H new ATOM 0 HG22 THR A 7 -14.970 6.716 3.578 1.00 0.00 H new ATOM 0 HG23 THR A 7 -14.194 5.158 3.946 1.00 0.00 H new ATOM 104 N LEU A 8 -15.156 6.587 0.647 1.00 0.00 N ATOM 105 CA LEU A 8 -16.207 7.353 -0.014 1.00 0.00 C ATOM 106 C LEU A 8 -17.381 7.593 0.929 1.00 0.00 C ATOM 107 O LEU A 8 -17.832 8.725 1.099 1.00 0.00 O ATOM 108 CB LEU A 8 -16.687 6.621 -1.268 1.00 0.00 C ATOM 109 CG LEU A 8 -15.648 6.432 -2.374 1.00 0.00 C ATOM 110 CD1 LEU A 8 -15.973 5.202 -3.208 1.00 0.00 C ATOM 111 CD2 LEU A 8 -15.576 7.671 -3.255 1.00 0.00 C ATOM 0 H LEU A 8 -15.375 5.600 0.781 1.00 0.00 H new ATOM 0 HA LEU A 8 -15.792 8.319 -0.301 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -17.056 5.639 -0.972 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -17.534 7.168 -1.682 1.00 0.00 H new ATOM 0 HG LEU A 8 -14.674 6.283 -1.909 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -15.223 5.084 -3.990 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -15.973 4.319 -2.569 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -16.956 5.321 -3.664 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -14.832 7.519 -4.037 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -16.550 7.850 -3.711 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.295 8.532 -2.649 1.00 0.00 H new ATOM 123 N ALA A 9 -17.871 6.520 1.542 1.00 0.00 N ATOM 124 CA ALA A 9 -18.990 6.614 2.471 1.00 0.00 C ATOM 125 C ALA A 9 -18.789 5.690 3.667 1.00 0.00 C ATOM 126 O ALA A 9 -18.754 4.469 3.521 1.00 0.00 O ATOM 127 CB ALA A 9 -20.295 6.286 1.761 1.00 0.00 C ATOM 0 H ALA A 9 -17.510 5.575 1.411 1.00 0.00 H new ATOM 0 HA ALA A 9 -19.038 7.638 2.841 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -21.122 6.360 2.467 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -20.451 6.990 0.944 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -20.248 5.272 1.363 1.00 0.00 H new ATOM 133 N ALA A 10 -18.658 6.281 4.850 1.00 0.00 N ATOM 134 CA ALA A 10 -18.462 5.511 6.072 1.00 0.00 C ATOM 135 C ALA A 10 -19.676 4.638 6.371 1.00 0.00 C ATOM 136 O ALA A 10 -20.815 5.040 6.135 1.00 0.00 O ATOM 137 CB ALA A 10 -18.177 6.440 7.242 1.00 0.00 C ATOM 0 H ALA A 10 -18.684 7.291 4.988 1.00 0.00 H new ATOM 0 HA ALA A 10 -17.603 4.856 5.925 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -18.033 5.851 8.148 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -17.275 7.017 7.037 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -19.018 7.119 7.381 1.00 0.00 H new ATOM 143 N GLY A 11 -19.425 3.440 6.891 1.00 0.00 N ATOM 144 CA GLY A 11 -20.508 2.530 7.213 1.00 0.00 C ATOM 145 C GLY A 11 -20.543 2.166 8.684 1.00 0.00 C ATOM 146 O GLY A 11 -20.578 3.044 9.546 1.00 0.00 O ATOM 0 H GLY A 11 -18.491 3.084 7.095 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -21.457 2.986 6.932 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -20.403 1.622 6.620 1.00 0.00 H new ATOM 150 N ASP A 12 -20.534 0.869 8.971 1.00 0.00 N ATOM 151 CA ASP A 12 -20.565 0.391 10.349 1.00 0.00 C ATOM 152 C ASP A 12 -19.245 0.683 11.055 1.00 0.00 C ATOM 153 O ASP A 12 -19.204 0.833 12.276 1.00 0.00 O ATOM 154 CB ASP A 12 -20.855 -1.110 10.384 1.00 0.00 C ATOM 155 CG ASP A 12 -21.315 -1.579 11.750 1.00 0.00 C ATOM 156 OD1 ASP A 12 -21.889 -0.759 12.496 1.00 0.00 O ATOM 157 OD2 ASP A 12 -21.099 -2.766 12.074 1.00 0.00 O ATOM 0 H ASP A 12 -20.506 0.130 8.269 1.00 0.00 H new ATOM 0 HA ASP A 12 -21.361 0.919 10.873 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -21.621 -1.346 9.645 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -19.957 -1.657 10.099 1.00 0.00 H new ATOM 162 N GLU A 13 -18.169 0.762 10.279 1.00 0.00 N ATOM 163 CA GLU A 13 -16.847 1.034 10.831 1.00 0.00 C ATOM 164 C GLU A 13 -16.646 0.294 12.151 1.00 0.00 C ATOM 165 O GLU A 13 -16.087 0.840 13.102 1.00 0.00 O ATOM 166 CB GLU A 13 -16.658 2.537 11.043 1.00 0.00 C ATOM 167 CG GLU A 13 -17.609 3.132 12.067 1.00 0.00 C ATOM 168 CD GLU A 13 -17.138 4.475 12.591 1.00 0.00 C ATOM 169 OE1 GLU A 13 -15.960 4.573 12.995 1.00 0.00 O ATOM 170 OE2 GLU A 13 -17.945 5.427 12.597 1.00 0.00 O ATOM 0 H GLU A 13 -18.187 0.642 9.266 1.00 0.00 H new ATOM 0 HA GLU A 13 -16.103 0.679 10.118 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -15.632 2.724 11.361 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -16.796 3.050 10.091 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -18.595 3.248 11.617 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -17.718 2.439 12.901 1.00 0.00 H new ATOM 177 N ALA A 14 -17.108 -0.951 12.201 1.00 0.00 N ATOM 178 CA ALA A 14 -16.979 -1.766 13.402 1.00 0.00 C ATOM 179 C ALA A 14 -16.851 -3.245 13.051 1.00 0.00 C ATOM 180 O ALA A 14 -16.050 -3.968 13.645 1.00 0.00 O ATOM 181 CB ALA A 14 -18.169 -1.542 14.323 1.00 0.00 C ATOM 0 H ALA A 14 -17.575 -1.417 11.423 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.070 -1.462 13.921 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -18.059 -2.157 15.216 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -18.215 -0.491 14.610 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -19.087 -1.817 13.804 1.00 0.00 H new ATOM 187 N THR A 15 -17.645 -3.689 12.082 1.00 0.00 N ATOM 188 CA THR A 15 -17.622 -5.082 11.654 1.00 0.00 C ATOM 189 C THR A 15 -16.736 -5.265 10.426 1.00 0.00 C ATOM 190 O THR A 15 -17.096 -4.854 9.323 1.00 0.00 O ATOM 191 CB THR A 15 -19.038 -5.595 11.331 1.00 0.00 C ATOM 192 OG1 THR A 15 -19.947 -5.206 12.367 1.00 0.00 O ATOM 193 CG2 THR A 15 -19.045 -7.109 11.185 1.00 0.00 C ATOM 0 H THR A 15 -18.312 -3.104 11.579 1.00 0.00 H new ATOM 0 HA THR A 15 -17.215 -5.660 12.483 1.00 0.00 H new ATOM 0 HB THR A 15 -19.354 -5.154 10.386 1.00 0.00 H new ATOM 0 HG1 THR A 15 -20.377 -4.360 12.124 1.00 0.00 H new ATOM 0 HG21 THR A 15 -20.056 -7.448 10.957 1.00 0.00 H new ATOM 0 HG22 THR A 15 -18.374 -7.400 10.377 1.00 0.00 H new ATOM 0 HG23 THR A 15 -18.711 -7.566 12.116 1.00 0.00 H new ATOM 201 N TYR A 16 -15.578 -5.883 10.625 1.00 0.00 N ATOM 202 CA TYR A 16 -14.640 -6.119 9.534 1.00 0.00 C ATOM 203 C TYR A 16 -14.500 -7.611 9.248 1.00 0.00 C ATOM 204 O TYR A 16 -14.715 -8.458 10.115 1.00 0.00 O ATOM 205 CB TYR A 16 -13.272 -5.522 9.872 1.00 0.00 C ATOM 206 CG TYR A 16 -13.296 -4.023 10.061 1.00 0.00 C ATOM 207 CD1 TYR A 16 -13.812 -3.457 11.221 1.00 0.00 C ATOM 208 CD2 TYR A 16 -12.803 -3.171 9.080 1.00 0.00 C ATOM 209 CE1 TYR A 16 -13.836 -2.087 11.398 1.00 0.00 C ATOM 210 CE2 TYR A 16 -12.822 -1.800 9.249 1.00 0.00 C ATOM 211 CZ TYR A 16 -13.340 -1.263 10.410 1.00 0.00 C ATOM 212 OH TYR A 16 -13.362 0.102 10.581 1.00 0.00 O ATOM 0 H TYR A 16 -15.266 -6.230 11.532 1.00 0.00 H new ATOM 0 HA TYR A 16 -15.031 -5.632 8.641 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -12.896 -5.989 10.783 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -12.571 -5.768 9.075 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -14.201 -4.099 11.997 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -12.398 -3.588 8.170 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -14.241 -1.664 12.305 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -12.434 -1.152 8.477 1.00 0.00 H new ATOM 0 HH TYR A 16 -12.975 0.537 9.793 1.00 0.00 H new ATOM 222 N PRO A 17 -14.130 -7.941 8.002 1.00 0.00 N ATOM 223 CA PRO A 17 -13.951 -9.331 7.571 1.00 0.00 C ATOM 224 C PRO A 17 -12.731 -9.984 8.212 1.00 0.00 C ATOM 225 O PRO A 17 -11.603 -9.523 8.036 1.00 0.00 O ATOM 226 CB PRO A 17 -13.761 -9.212 6.057 1.00 0.00 C ATOM 227 CG PRO A 17 -13.229 -7.836 5.850 1.00 0.00 C ATOM 228 CD PRO A 17 -13.857 -6.983 6.917 1.00 0.00 C ATOM 0 HA PRO A 17 -14.794 -9.959 7.860 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -13.067 -9.965 5.685 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.702 -9.357 5.527 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -12.142 -7.822 5.929 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -13.481 -7.466 4.856 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -13.186 -6.188 7.242 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -14.771 -6.505 6.564 1.00 0.00 H new ATOM 236 N LYS A 18 -12.963 -11.061 8.955 1.00 0.00 N ATOM 237 CA LYS A 18 -11.883 -11.779 9.621 1.00 0.00 C ATOM 238 C LYS A 18 -11.045 -12.558 8.612 1.00 0.00 C ATOM 239 O LYS A 18 -11.574 -13.115 7.651 1.00 0.00 O ATOM 240 CB LYS A 18 -12.451 -12.734 10.674 1.00 0.00 C ATOM 241 CG LYS A 18 -11.423 -13.199 11.691 1.00 0.00 C ATOM 242 CD LYS A 18 -12.046 -14.108 12.737 1.00 0.00 C ATOM 243 CE LYS A 18 -11.043 -14.482 13.818 1.00 0.00 C ATOM 244 NZ LYS A 18 -9.789 -15.040 13.241 1.00 0.00 N ATOM 0 H LYS A 18 -13.890 -11.456 9.111 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.242 -11.047 10.112 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.269 -12.239 11.197 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.873 -13.605 10.173 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.618 -13.728 11.181 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.976 -12.333 12.180 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.903 -13.609 13.191 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.421 -15.013 12.258 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.808 -13.601 14.415 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.490 -15.214 14.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.203 -15.437 14.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.024 -15.789 12.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.263 -14.284 12.758 1.00 0.00 H new ATOM 258 N ALA A 19 -9.736 -12.594 8.840 1.00 0.00 N ATOM 259 CA ALA A 19 -8.826 -13.308 7.953 1.00 0.00 C ATOM 260 C ALA A 19 -9.207 -14.780 7.844 1.00 0.00 C ATOM 261 O ALA A 19 -9.094 -15.534 8.810 1.00 0.00 O ATOM 262 CB ALA A 19 -7.393 -13.167 8.443 1.00 0.00 C ATOM 0 H ALA A 19 -9.282 -12.137 9.631 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.904 -12.865 6.960 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.724 -13.705 7.771 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.117 -12.113 8.462 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.309 -13.582 9.447 1.00 0.00 H new ATOM 268 N GLY A 20 -9.661 -15.184 6.661 1.00 0.00 N ATOM 269 CA GLY A 20 -10.053 -16.565 6.449 1.00 0.00 C ATOM 270 C GLY A 20 -11.558 -16.741 6.412 1.00 0.00 C ATOM 271 O GLY A 20 -12.055 -17.854 6.242 1.00 0.00 O ATOM 0 H GLY A 20 -9.764 -14.579 5.846 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.625 -16.921 5.512 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.637 -17.184 7.244 1.00 0.00 H new ATOM 275 N GLN A 21 -12.286 -15.640 6.572 1.00 0.00 N ATOM 276 CA GLN A 21 -13.743 -15.679 6.558 1.00 0.00 C ATOM 277 C GLN A 21 -14.288 -15.207 5.214 1.00 0.00 C ATOM 278 O GLN A 21 -13.632 -14.451 4.498 1.00 0.00 O ATOM 279 CB GLN A 21 -14.308 -14.811 7.684 1.00 0.00 C ATOM 280 CG GLN A 21 -14.303 -15.497 9.041 1.00 0.00 C ATOM 281 CD GLN A 21 -15.297 -14.884 10.008 1.00 0.00 C ATOM 282 OE1 GLN A 21 -16.028 -15.594 10.698 1.00 0.00 O ATOM 283 NE2 GLN A 21 -15.328 -13.557 10.063 1.00 0.00 N ATOM 0 H GLN A 21 -11.890 -14.711 6.713 1.00 0.00 H new ATOM 0 HA GLN A 21 -14.055 -16.712 6.713 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -13.727 -13.891 7.749 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -15.330 -14.526 7.434 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -14.534 -16.554 8.910 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -13.302 -15.440 9.469 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -14.704 -13.007 9.473 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -15.976 -13.088 10.696 1.00 0.00 H new ATOM 292 N VAL A 22 -15.492 -15.658 4.878 1.00 0.00 N ATOM 293 CA VAL A 22 -16.126 -15.281 3.620 1.00 0.00 C ATOM 294 C VAL A 22 -16.884 -13.966 3.759 1.00 0.00 C ATOM 295 O VAL A 22 -17.829 -13.863 4.541 1.00 0.00 O ATOM 296 CB VAL A 22 -17.097 -16.373 3.131 1.00 0.00 C ATOM 297 CG1 VAL A 22 -17.668 -16.009 1.769 1.00 0.00 C ATOM 298 CG2 VAL A 22 -16.398 -17.723 3.082 1.00 0.00 C ATOM 0 H VAL A 22 -16.048 -16.285 5.459 1.00 0.00 H new ATOM 0 HA VAL A 22 -15.328 -15.161 2.887 1.00 0.00 H new ATOM 0 HB VAL A 22 -17.924 -16.443 3.838 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -18.351 -16.792 1.440 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -18.206 -15.064 1.841 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -16.856 -15.910 1.049 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -17.098 -18.483 2.735 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -15.551 -17.670 2.398 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -16.043 -17.985 4.079 1.00 0.00 H new ATOM 308 N ALA A 23 -16.465 -12.964 2.994 1.00 0.00 N ATOM 309 CA ALA A 23 -17.107 -11.655 3.030 1.00 0.00 C ATOM 310 C ALA A 23 -17.741 -11.318 1.685 1.00 0.00 C ATOM 311 O ALA A 23 -17.257 -11.742 0.636 1.00 0.00 O ATOM 312 CB ALA A 23 -16.100 -10.585 3.425 1.00 0.00 C ATOM 0 H ALA A 23 -15.684 -13.033 2.342 1.00 0.00 H new ATOM 0 HA ALA A 23 -17.900 -11.686 3.778 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -16.592 -9.613 3.448 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.697 -10.811 4.412 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -15.288 -10.563 2.698 1.00 0.00 H new ATOM 318 N VAL A 24 -18.827 -10.553 1.724 1.00 0.00 N ATOM 319 CA VAL A 24 -19.528 -10.158 0.508 1.00 0.00 C ATOM 320 C VAL A 24 -19.505 -8.644 0.327 1.00 0.00 C ATOM 321 O VAL A 24 -19.880 -7.895 1.229 1.00 0.00 O ATOM 322 CB VAL A 24 -20.991 -10.640 0.521 1.00 0.00 C ATOM 323 CG1 VAL A 24 -21.629 -10.449 -0.846 1.00 0.00 C ATOM 324 CG2 VAL A 24 -21.067 -12.096 0.955 1.00 0.00 C ATOM 0 H VAL A 24 -19.241 -10.194 2.585 1.00 0.00 H new ATOM 0 HA VAL A 24 -19.006 -10.629 -0.325 1.00 0.00 H new ATOM 0 HB VAL A 24 -21.547 -10.040 1.241 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -22.662 -10.795 -0.817 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -21.608 -9.392 -1.113 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -21.075 -11.022 -1.589 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -22.108 -12.421 0.959 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -20.497 -12.713 0.260 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -20.651 -12.199 1.957 1.00 0.00 H new ATOM 334 N VAL A 25 -19.062 -8.201 -0.845 1.00 0.00 N ATOM 335 CA VAL A 25 -18.992 -6.776 -1.146 1.00 0.00 C ATOM 336 C VAL A 25 -19.309 -6.507 -2.613 1.00 0.00 C ATOM 337 O VAL A 25 -19.420 -7.435 -3.415 1.00 0.00 O ATOM 338 CB VAL A 25 -17.600 -6.202 -0.820 1.00 0.00 C ATOM 339 CG1 VAL A 25 -17.092 -6.752 0.504 1.00 0.00 C ATOM 340 CG2 VAL A 25 -16.622 -6.506 -1.944 1.00 0.00 C ATOM 0 H VAL A 25 -18.746 -8.808 -1.601 1.00 0.00 H new ATOM 0 HA VAL A 25 -19.737 -6.284 -0.520 1.00 0.00 H new ATOM 0 HB VAL A 25 -17.685 -5.119 -0.727 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -16.108 -6.335 0.717 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -17.783 -6.477 1.301 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -17.021 -7.838 0.444 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.644 -6.093 -1.697 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.539 -7.585 -2.072 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -16.981 -6.058 -2.870 1.00 0.00 H new ATOM 350 N HIS A 26 -19.453 -5.231 -2.957 1.00 0.00 N ATOM 351 CA HIS A 26 -19.756 -4.840 -4.329 1.00 0.00 C ATOM 352 C HIS A 26 -18.563 -4.138 -4.970 1.00 0.00 C ATOM 353 O HIS A 26 -18.021 -3.181 -4.415 1.00 0.00 O ATOM 354 CB HIS A 26 -20.980 -3.924 -4.362 1.00 0.00 C ATOM 355 CG HIS A 26 -22.261 -4.645 -4.647 1.00 0.00 C ATOM 356 ND1 HIS A 26 -22.369 -5.642 -5.594 1.00 0.00 N ATOM 357 CD2 HIS A 26 -23.493 -4.511 -4.103 1.00 0.00 C ATOM 358 CE1 HIS A 26 -23.612 -6.089 -5.621 1.00 0.00 C ATOM 359 NE2 HIS A 26 -24.314 -5.419 -4.725 1.00 0.00 N ATOM 0 H HIS A 26 -19.365 -4.451 -2.305 1.00 0.00 H new ATOM 0 HA HIS A 26 -19.972 -5.744 -4.899 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -21.066 -3.412 -3.403 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -20.828 -3.156 -5.121 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -21.608 -5.981 -6.182 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -23.777 -3.819 -3.324 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -23.990 -6.869 -6.266 1.00 0.00 H new ATOM 367 N TYR A 27 -18.159 -4.618 -6.141 1.00 0.00 N ATOM 368 CA TYR A 27 -17.028 -4.039 -6.856 1.00 0.00 C ATOM 369 C TYR A 27 -17.495 -3.302 -8.108 1.00 0.00 C ATOM 370 O TYR A 27 -18.344 -3.793 -8.853 1.00 0.00 O ATOM 371 CB TYR A 27 -16.026 -5.129 -7.236 1.00 0.00 C ATOM 372 CG TYR A 27 -16.518 -6.050 -8.330 1.00 0.00 C ATOM 373 CD1 TYR A 27 -16.355 -5.719 -9.670 1.00 0.00 C ATOM 374 CD2 TYR A 27 -17.145 -7.251 -8.024 1.00 0.00 C ATOM 375 CE1 TYR A 27 -16.805 -6.557 -10.672 1.00 0.00 C ATOM 376 CE2 TYR A 27 -17.597 -8.096 -9.019 1.00 0.00 C ATOM 377 CZ TYR A 27 -17.424 -7.744 -10.342 1.00 0.00 C ATOM 378 OH TYR A 27 -17.872 -8.582 -11.337 1.00 0.00 O ATOM 0 H TYR A 27 -18.598 -5.407 -6.615 1.00 0.00 H new ATOM 0 HA TYR A 27 -16.541 -3.322 -6.195 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -15.097 -4.660 -7.559 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -15.794 -5.722 -6.351 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -15.868 -4.791 -9.932 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -17.282 -7.529 -6.989 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -16.673 -6.284 -11.708 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -18.083 -9.026 -8.763 1.00 0.00 H new ATOM 0 HH TYR A 27 -18.283 -9.376 -10.936 1.00 0.00 H new ATOM 388 N THR A 28 -16.933 -2.118 -8.334 1.00 0.00 N ATOM 389 CA THR A 28 -17.291 -1.312 -9.494 1.00 0.00 C ATOM 390 C THR A 28 -16.047 -0.837 -10.237 1.00 0.00 C ATOM 391 O THR A 28 -15.128 -0.282 -9.637 1.00 0.00 O ATOM 392 CB THR A 28 -18.132 -0.087 -9.089 1.00 0.00 C ATOM 393 OG1 THR A 28 -19.342 -0.513 -8.452 1.00 0.00 O ATOM 394 CG2 THR A 28 -18.467 0.765 -10.304 1.00 0.00 C ATOM 0 H THR A 28 -16.228 -1.697 -7.729 1.00 0.00 H new ATOM 0 HA THR A 28 -17.883 -1.949 -10.151 1.00 0.00 H new ATOM 0 HB THR A 28 -17.547 0.514 -8.393 1.00 0.00 H new ATOM 0 HG1 THR A 28 -19.624 0.163 -7.801 1.00 0.00 H new ATOM 0 HG21 THR A 28 -19.061 1.624 -9.993 1.00 0.00 H new ATOM 0 HG22 THR A 28 -17.545 1.111 -10.771 1.00 0.00 H new ATOM 0 HG23 THR A 28 -19.035 0.171 -11.020 1.00 0.00 H new ATOM 402 N GLY A 29 -16.026 -1.057 -11.548 1.00 0.00 N ATOM 403 CA GLY A 29 -14.891 -0.644 -12.352 1.00 0.00 C ATOM 404 C GLY A 29 -14.725 0.862 -12.390 1.00 0.00 C ATOM 405 O GLY A 29 -15.708 1.603 -12.417 1.00 0.00 O ATOM 0 H GLY A 29 -16.775 -1.514 -12.068 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.983 -1.097 -11.953 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.014 -1.019 -13.368 1.00 0.00 H new ATOM 409 N THR A 30 -13.476 1.318 -12.392 1.00 0.00 N ATOM 410 CA THR A 30 -13.184 2.746 -12.425 1.00 0.00 C ATOM 411 C THR A 30 -11.714 2.999 -12.741 1.00 0.00 C ATOM 412 O THR A 30 -10.831 2.310 -12.229 1.00 0.00 O ATOM 413 CB THR A 30 -13.534 3.421 -11.085 1.00 0.00 C ATOM 414 OG1 THR A 30 -14.137 2.471 -10.200 1.00 0.00 O ATOM 415 CG2 THR A 30 -14.479 4.593 -11.301 1.00 0.00 C ATOM 0 H THR A 30 -12.651 0.719 -12.371 1.00 0.00 H new ATOM 0 HA THR A 30 -13.801 3.178 -13.213 1.00 0.00 H new ATOM 0 HB THR A 30 -12.612 3.795 -10.640 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.473 1.799 -9.940 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.712 5.054 -10.341 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.004 5.328 -11.951 1.00 0.00 H new ATOM 0 HG23 THR A 30 -15.399 4.238 -11.766 1.00 0.00 H new ATOM 423 N LEU A 31 -11.459 3.992 -13.585 1.00 0.00 N ATOM 424 CA LEU A 31 -10.094 4.338 -13.969 1.00 0.00 C ATOM 425 C LEU A 31 -9.578 5.513 -13.145 1.00 0.00 C ATOM 426 O LEU A 31 -10.359 6.285 -12.589 1.00 0.00 O ATOM 427 CB LEU A 31 -10.033 4.679 -15.459 1.00 0.00 C ATOM 428 CG LEU A 31 -10.014 3.489 -16.419 1.00 0.00 C ATOM 429 CD1 LEU A 31 -9.978 3.969 -17.862 1.00 0.00 C ATOM 430 CD2 LEU A 31 -8.825 2.586 -16.126 1.00 0.00 C ATOM 0 H LEU A 31 -12.179 4.572 -14.017 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.458 3.474 -13.774 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.892 5.304 -15.704 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.141 5.279 -15.638 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.927 2.913 -16.271 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.965 3.109 -18.531 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.861 4.574 -18.066 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.082 4.568 -18.024 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.828 1.745 -16.819 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.901 3.151 -16.245 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.894 2.214 -15.104 1.00 0.00 H new ATOM 442 N ALA A 32 -8.258 5.644 -13.073 1.00 0.00 N ATOM 443 CA ALA A 32 -7.637 6.728 -12.321 1.00 0.00 C ATOM 444 C ALA A 32 -8.090 8.087 -12.843 1.00 0.00 C ATOM 445 O ALA A 32 -8.027 9.089 -12.129 1.00 0.00 O ATOM 446 CB ALA A 32 -6.121 6.614 -12.384 1.00 0.00 C ATOM 0 H ALA A 32 -7.597 5.013 -13.526 1.00 0.00 H new ATOM 0 HA ALA A 32 -7.953 6.644 -11.281 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.671 7.430 -11.818 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.810 5.661 -11.956 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.795 6.670 -13.423 1.00 0.00 H new ATOM 452 N ASP A 33 -8.544 8.115 -14.091 1.00 0.00 N ATOM 453 CA ASP A 33 -9.007 9.352 -14.708 1.00 0.00 C ATOM 454 C ASP A 33 -10.458 9.636 -14.334 1.00 0.00 C ATOM 455 O ASP A 33 -10.954 10.745 -14.528 1.00 0.00 O ATOM 456 CB ASP A 33 -8.865 9.273 -16.229 1.00 0.00 C ATOM 457 CG ASP A 33 -7.417 9.217 -16.674 1.00 0.00 C ATOM 458 OD1 ASP A 33 -6.528 9.461 -15.831 1.00 0.00 O ATOM 459 OD2 ASP A 33 -7.173 8.930 -17.864 1.00 0.00 O ATOM 0 H ASP A 33 -8.601 7.295 -14.695 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.388 10.168 -14.335 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.389 8.389 -16.594 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.348 10.139 -16.681 1.00 0.00 H new ATOM 464 N GLY A 34 -11.135 8.625 -13.798 1.00 0.00 N ATOM 465 CA GLY A 34 -12.523 8.786 -13.406 1.00 0.00 C ATOM 466 C GLY A 34 -13.469 7.995 -14.287 1.00 0.00 C ATOM 467 O GLY A 34 -14.629 7.784 -13.933 1.00 0.00 O ATOM 0 H GLY A 34 -10.747 7.697 -13.628 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.644 8.468 -12.370 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.789 9.842 -13.448 1.00 0.00 H new ATOM 471 N LYS A 35 -12.975 7.557 -15.440 1.00 0.00 N ATOM 472 CA LYS A 35 -13.784 6.785 -16.376 1.00 0.00 C ATOM 473 C LYS A 35 -14.450 5.606 -15.676 1.00 0.00 C ATOM 474 O LYS A 35 -13.775 4.694 -15.197 1.00 0.00 O ATOM 475 CB LYS A 35 -12.919 6.283 -17.535 1.00 0.00 C ATOM 476 CG LYS A 35 -13.682 6.127 -18.839 1.00 0.00 C ATOM 477 CD LYS A 35 -13.959 7.473 -19.487 1.00 0.00 C ATOM 478 CE LYS A 35 -12.710 8.046 -20.139 1.00 0.00 C ATOM 479 NZ LYS A 35 -12.378 7.347 -21.411 1.00 0.00 N ATOM 0 H LYS A 35 -12.017 7.724 -15.749 1.00 0.00 H new ATOM 0 HA LYS A 35 -14.564 7.438 -16.769 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -12.093 6.977 -17.688 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -12.482 5.322 -17.262 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.109 5.503 -19.525 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -14.624 5.612 -18.651 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -14.743 7.363 -20.236 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -14.331 8.170 -18.736 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.858 9.108 -20.336 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.870 7.964 -19.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.605 7.850 -21.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.080 6.372 -21.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.216 7.330 -22.027 1.00 0.00 H new ATOM 493 N VAL A 36 -15.778 5.629 -15.620 1.00 0.00 N ATOM 494 CA VAL A 36 -16.535 4.560 -14.981 1.00 0.00 C ATOM 495 C VAL A 36 -16.570 3.311 -15.855 1.00 0.00 C ATOM 496 O VAL A 36 -16.690 3.400 -17.077 1.00 0.00 O ATOM 497 CB VAL A 36 -17.979 5.000 -14.676 1.00 0.00 C ATOM 498 CG1 VAL A 36 -18.791 5.095 -15.959 1.00 0.00 C ATOM 499 CG2 VAL A 36 -18.632 4.040 -13.692 1.00 0.00 C ATOM 0 H VAL A 36 -16.352 6.377 -16.010 1.00 0.00 H new ATOM 0 HA VAL A 36 -16.027 4.330 -14.044 1.00 0.00 H new ATOM 0 HB VAL A 36 -17.950 5.989 -14.219 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -19.808 5.407 -15.723 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -18.333 5.825 -16.626 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -18.814 4.121 -16.448 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -19.652 4.366 -13.488 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -18.650 3.037 -14.119 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -18.062 4.028 -12.763 1.00 0.00 H new ATOM 509 N PHE A 37 -16.463 2.148 -15.221 1.00 0.00 N ATOM 510 CA PHE A 37 -16.482 0.880 -15.941 1.00 0.00 C ATOM 511 C PHE A 37 -17.620 -0.008 -15.448 1.00 0.00 C ATOM 512 O PHE A 37 -18.424 0.402 -14.611 1.00 0.00 O ATOM 513 CB PHE A 37 -15.145 0.155 -15.775 1.00 0.00 C ATOM 514 CG PHE A 37 -14.179 0.414 -16.895 1.00 0.00 C ATOM 515 CD1 PHE A 37 -13.628 1.673 -17.075 1.00 0.00 C ATOM 516 CD2 PHE A 37 -13.822 -0.601 -17.768 1.00 0.00 C ATOM 517 CE1 PHE A 37 -12.738 1.914 -18.105 1.00 0.00 C ATOM 518 CE2 PHE A 37 -12.933 -0.365 -18.799 1.00 0.00 C ATOM 519 CZ PHE A 37 -12.391 0.894 -18.969 1.00 0.00 C ATOM 0 H PHE A 37 -16.362 2.057 -14.210 1.00 0.00 H new ATOM 0 HA PHE A 37 -16.643 1.093 -16.998 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -14.689 0.462 -14.834 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -15.329 -0.917 -15.705 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -13.897 2.475 -16.403 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -14.243 -1.587 -17.641 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -12.314 2.899 -18.234 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -12.662 -1.165 -19.472 1.00 0.00 H new ATOM 0 HZ PHE A 37 -11.697 1.080 -19.776 1.00 0.00 H new ATOM 529 N ASP A 38 -17.682 -1.226 -15.975 1.00 0.00 N ATOM 530 CA ASP A 38 -18.721 -2.174 -15.589 1.00 0.00 C ATOM 531 C ASP A 38 -18.711 -2.409 -14.082 1.00 0.00 C ATOM 532 O ASP A 38 -17.651 -2.575 -13.477 1.00 0.00 O ATOM 533 CB ASP A 38 -18.530 -3.501 -16.326 1.00 0.00 C ATOM 534 CG ASP A 38 -19.848 -4.139 -16.719 1.00 0.00 C ATOM 535 OD1 ASP A 38 -20.778 -3.397 -17.097 1.00 0.00 O ATOM 536 OD2 ASP A 38 -19.949 -5.382 -16.648 1.00 0.00 O ATOM 0 H ASP A 38 -17.025 -1.580 -16.670 1.00 0.00 H new ATOM 0 HA ASP A 38 -19.686 -1.749 -15.865 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -17.930 -3.334 -17.220 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -17.971 -4.189 -15.691 1.00 0.00 H new ATOM 541 N SER A 39 -19.896 -2.420 -13.481 1.00 0.00 N ATOM 542 CA SER A 39 -20.023 -2.629 -12.043 1.00 0.00 C ATOM 543 C SER A 39 -20.925 -3.823 -11.746 1.00 0.00 C ATOM 544 O SER A 39 -21.890 -4.080 -12.465 1.00 0.00 O ATOM 545 CB SER A 39 -20.581 -1.373 -11.371 1.00 0.00 C ATOM 546 OG SER A 39 -21.991 -1.308 -11.502 1.00 0.00 O ATOM 0 H SER A 39 -20.783 -2.287 -13.967 1.00 0.00 H new ATOM 0 HA SER A 39 -19.031 -2.836 -11.641 1.00 0.00 H new ATOM 0 HB2 SER A 39 -20.310 -1.371 -10.315 1.00 0.00 H new ATOM 0 HB3 SER A 39 -20.130 -0.487 -11.818 1.00 0.00 H new ATOM 0 HG SER A 39 -22.273 -1.846 -12.271 1.00 0.00 H new ATOM 552 N SER A 40 -20.603 -4.548 -10.680 1.00 0.00 N ATOM 553 CA SER A 40 -21.381 -5.718 -10.287 1.00 0.00 C ATOM 554 C SER A 40 -22.657 -5.302 -9.562 1.00 0.00 C ATOM 555 O SER A 40 -23.652 -6.028 -9.567 1.00 0.00 O ATOM 556 CB SER A 40 -20.547 -6.635 -9.391 1.00 0.00 C ATOM 557 OG SER A 40 -20.885 -6.459 -8.026 1.00 0.00 O ATOM 0 H SER A 40 -19.809 -4.346 -10.073 1.00 0.00 H new ATOM 0 HA SER A 40 -21.657 -6.261 -11.191 1.00 0.00 H new ATOM 0 HB2 SER A 40 -20.709 -7.674 -9.678 1.00 0.00 H new ATOM 0 HB3 SER A 40 -19.487 -6.425 -9.537 1.00 0.00 H new ATOM 0 HG SER A 40 -21.266 -7.290 -7.674 1.00 0.00 H new ATOM 563 N ARG A 41 -22.621 -4.129 -8.938 1.00 0.00 N ATOM 564 CA ARG A 41 -23.773 -3.617 -8.207 1.00 0.00 C ATOM 565 C ARG A 41 -24.928 -3.312 -9.156 1.00 0.00 C ATOM 566 O ARG A 41 -26.085 -3.619 -8.864 1.00 0.00 O ATOM 567 CB ARG A 41 -23.391 -2.356 -7.429 1.00 0.00 C ATOM 568 CG ARG A 41 -22.829 -1.248 -8.305 1.00 0.00 C ATOM 569 CD ARG A 41 -22.326 -0.080 -7.470 1.00 0.00 C ATOM 570 NE ARG A 41 -23.423 0.685 -6.883 1.00 0.00 N ATOM 571 CZ ARG A 41 -24.215 1.490 -7.583 1.00 0.00 C ATOM 572 NH1 ARG A 41 -24.033 1.633 -8.888 1.00 0.00 N ATOM 573 NH2 ARG A 41 -25.192 2.152 -6.977 1.00 0.00 N ATOM 0 H ARG A 41 -21.806 -3.516 -8.924 1.00 0.00 H new ATOM 0 HA ARG A 41 -24.096 -4.385 -7.504 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -24.270 -1.982 -6.904 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -22.654 -2.617 -6.670 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -22.013 -1.641 -8.912 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -23.600 -0.900 -8.993 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -21.679 -0.454 -6.676 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -21.719 0.577 -8.093 1.00 0.00 H new ATOM 0 HE ARG A 41 -23.590 0.596 -5.881 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -23.284 1.124 -9.357 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -24.642 2.252 -9.423 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -25.336 2.043 -5.973 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -25.800 2.770 -7.515 1.00 0.00 H new ATOM 587 N THR A 42 -24.607 -2.705 -10.294 1.00 0.00 N ATOM 588 CA THR A 42 -25.617 -2.356 -11.286 1.00 0.00 C ATOM 589 C THR A 42 -26.400 -3.587 -11.729 1.00 0.00 C ATOM 590 O THR A 42 -27.531 -3.477 -12.202 1.00 0.00 O ATOM 591 CB THR A 42 -24.984 -1.692 -12.523 1.00 0.00 C ATOM 592 OG1 THR A 42 -23.831 -2.432 -12.940 1.00 0.00 O ATOM 593 CG2 THR A 42 -24.588 -0.254 -12.222 1.00 0.00 C ATOM 0 H THR A 42 -23.655 -2.445 -10.552 1.00 0.00 H new ATOM 0 HA THR A 42 -26.296 -1.648 -10.811 1.00 0.00 H new ATOM 0 HB THR A 42 -25.723 -1.689 -13.324 1.00 0.00 H new ATOM 0 HG1 THR A 42 -23.648 -3.145 -12.293 1.00 0.00 H new ATOM 0 HG21 THR A 42 -24.143 0.194 -13.110 1.00 0.00 H new ATOM 0 HG22 THR A 42 -25.472 0.314 -11.933 1.00 0.00 H new ATOM 0 HG23 THR A 42 -23.864 -0.239 -11.407 1.00 0.00 H new ATOM 601 N ARG A 43 -25.792 -4.758 -11.572 1.00 0.00 N ATOM 602 CA ARG A 43 -26.433 -6.010 -11.956 1.00 0.00 C ATOM 603 C ARG A 43 -26.810 -6.828 -10.725 1.00 0.00 C ATOM 604 O ARG A 43 -27.097 -8.020 -10.824 1.00 0.00 O ATOM 605 CB ARG A 43 -25.506 -6.825 -12.860 1.00 0.00 C ATOM 606 CG ARG A 43 -25.034 -6.068 -14.090 1.00 0.00 C ATOM 607 CD ARG A 43 -25.754 -6.538 -15.344 1.00 0.00 C ATOM 608 NE ARG A 43 -24.944 -6.350 -16.544 1.00 0.00 N ATOM 609 CZ ARG A 43 -23.955 -7.164 -16.899 1.00 0.00 C ATOM 610 NH1 ARG A 43 -23.657 -8.216 -16.149 1.00 0.00 N ATOM 611 NH2 ARG A 43 -23.263 -6.926 -18.005 1.00 0.00 N ATOM 0 H ARG A 43 -24.856 -4.866 -11.181 1.00 0.00 H new ATOM 0 HA ARG A 43 -27.344 -5.770 -12.503 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -24.637 -7.142 -12.283 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -26.025 -7.729 -13.178 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -25.205 -5.001 -13.949 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -23.960 -6.205 -14.213 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -26.010 -7.593 -15.241 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -26.691 -5.991 -15.450 1.00 0.00 H new ATOM 0 HE ARG A 43 -25.148 -5.550 -17.143 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -24.187 -8.402 -15.298 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -22.898 -8.839 -16.423 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -23.489 -6.118 -18.584 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -22.504 -7.551 -18.276 1.00 0.00 H new ATOM 625 N GLY A 44 -26.807 -6.178 -9.565 1.00 0.00 N ATOM 626 CA GLY A 44 -27.150 -6.861 -8.331 1.00 0.00 C ATOM 627 C GLY A 44 -26.371 -8.149 -8.146 1.00 0.00 C ATOM 628 O GLY A 44 -26.853 -9.089 -7.515 1.00 0.00 O ATOM 0 H GLY A 44 -26.573 -5.191 -9.458 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -26.957 -6.199 -7.487 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -28.217 -7.081 -8.326 1.00 0.00 H new ATOM 632 N LYS A 45 -25.163 -8.193 -8.698 1.00 0.00 N ATOM 633 CA LYS A 45 -24.316 -9.374 -8.591 1.00 0.00 C ATOM 634 C LYS A 45 -23.121 -9.106 -7.682 1.00 0.00 C ATOM 635 O LYS A 45 -22.022 -8.787 -8.138 1.00 0.00 O ATOM 636 CB LYS A 45 -23.829 -9.805 -9.977 1.00 0.00 C ATOM 637 CG LYS A 45 -24.877 -10.551 -10.785 1.00 0.00 C ATOM 638 CD LYS A 45 -24.266 -11.708 -11.556 1.00 0.00 C ATOM 639 CE LYS A 45 -24.253 -12.985 -10.729 1.00 0.00 C ATOM 640 NZ LYS A 45 -25.541 -13.725 -10.830 1.00 0.00 N ATOM 0 H LYS A 45 -24.749 -7.424 -9.224 1.00 0.00 H new ATOM 0 HA LYS A 45 -24.909 -10.177 -8.155 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -23.514 -8.922 -10.533 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -22.950 -10.440 -9.863 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -25.653 -10.926 -10.118 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -25.359 -9.864 -11.480 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -24.831 -11.873 -12.474 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -23.248 -11.453 -11.850 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -23.438 -13.627 -11.065 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -24.056 -12.740 -9.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -25.491 -14.589 -10.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -26.316 -13.122 -10.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -25.717 -13.982 -11.822 1.00 0.00 H new ATOM 654 N PRO A 46 -23.336 -9.240 -6.365 1.00 0.00 N ATOM 655 CA PRO A 46 -22.288 -9.018 -5.364 1.00 0.00 C ATOM 656 C PRO A 46 -21.216 -10.102 -5.398 1.00 0.00 C ATOM 657 O PRO A 46 -21.505 -11.266 -5.679 1.00 0.00 O ATOM 658 CB PRO A 46 -23.050 -9.060 -4.037 1.00 0.00 C ATOM 659 CG PRO A 46 -24.254 -9.890 -4.318 1.00 0.00 C ATOM 660 CD PRO A 46 -24.620 -9.618 -5.751 1.00 0.00 C ATOM 0 HA PRO A 46 -21.753 -8.084 -5.534 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -22.443 -9.499 -3.245 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -23.327 -8.059 -3.708 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -24.043 -10.948 -4.163 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -25.074 -9.627 -3.649 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -25.051 -10.497 -6.230 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -25.356 -8.818 -5.833 1.00 0.00 H new ATOM 668 N PHE A 47 -19.979 -9.714 -5.109 1.00 0.00 N ATOM 669 CA PHE A 47 -18.863 -10.653 -5.107 1.00 0.00 C ATOM 670 C PHE A 47 -18.525 -11.092 -3.685 1.00 0.00 C ATOM 671 O PHE A 47 -18.194 -10.268 -2.832 1.00 0.00 O ATOM 672 CB PHE A 47 -17.635 -10.020 -5.764 1.00 0.00 C ATOM 673 CG PHE A 47 -16.574 -11.017 -6.137 1.00 0.00 C ATOM 674 CD1 PHE A 47 -16.902 -12.170 -6.831 1.00 0.00 C ATOM 675 CD2 PHE A 47 -15.250 -10.800 -5.792 1.00 0.00 C ATOM 676 CE1 PHE A 47 -15.929 -13.089 -7.176 1.00 0.00 C ATOM 677 CE2 PHE A 47 -14.272 -11.715 -6.135 1.00 0.00 C ATOM 678 CZ PHE A 47 -14.612 -12.861 -6.826 1.00 0.00 C ATOM 0 H PHE A 47 -19.723 -8.755 -4.873 1.00 0.00 H new ATOM 0 HA PHE A 47 -19.159 -11.532 -5.679 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -17.948 -9.483 -6.659 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -17.207 -9.284 -5.083 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -17.930 -12.353 -7.106 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -14.979 -9.906 -5.249 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -16.198 -13.984 -7.718 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -13.243 -11.534 -5.863 1.00 0.00 H new ATOM 0 HZ PHE A 47 -13.850 -13.578 -7.093 1.00 0.00 H new ATOM 688 N ARG A 48 -18.610 -12.395 -3.439 1.00 0.00 N ATOM 689 CA ARG A 48 -18.314 -12.944 -2.121 1.00 0.00 C ATOM 690 C ARG A 48 -17.169 -13.950 -2.195 1.00 0.00 C ATOM 691 O ARG A 48 -17.107 -14.769 -3.112 1.00 0.00 O ATOM 692 CB ARG A 48 -19.558 -13.613 -1.533 1.00 0.00 C ATOM 693 CG ARG A 48 -20.111 -14.735 -2.396 1.00 0.00 C ATOM 694 CD ARG A 48 -19.547 -16.086 -1.983 1.00 0.00 C ATOM 695 NE ARG A 48 -19.402 -16.990 -3.121 1.00 0.00 N ATOM 696 CZ ARG A 48 -18.642 -18.079 -3.101 1.00 0.00 C ATOM 697 NH1 ARG A 48 -17.963 -18.398 -2.009 1.00 0.00 N ATOM 698 NH2 ARG A 48 -18.562 -18.852 -4.177 1.00 0.00 N ATOM 0 H ARG A 48 -18.881 -13.090 -4.135 1.00 0.00 H new ATOM 0 HA ARG A 48 -18.011 -12.122 -1.473 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -19.315 -14.010 -0.547 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -20.333 -12.860 -1.391 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -21.198 -14.754 -2.317 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -19.870 -14.543 -3.442 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -18.577 -15.944 -1.507 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -20.202 -16.541 -1.240 1.00 0.00 H new ATOM 0 HE ARG A 48 -19.912 -16.773 -3.977 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -18.023 -17.807 -1.180 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -17.380 -19.235 -1.997 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -19.084 -18.610 -5.019 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -17.978 -19.688 -4.162 1.00 0.00 H new ATOM 712 N PHE A 49 -16.264 -13.881 -1.224 1.00 0.00 N ATOM 713 CA PHE A 49 -15.120 -14.784 -1.180 1.00 0.00 C ATOM 714 C PHE A 49 -14.442 -14.736 0.185 1.00 0.00 C ATOM 715 O PHE A 49 -14.788 -13.916 1.036 1.00 0.00 O ATOM 716 CB PHE A 49 -14.114 -14.421 -2.275 1.00 0.00 C ATOM 717 CG PHE A 49 -13.526 -13.048 -2.118 1.00 0.00 C ATOM 718 CD1 PHE A 49 -12.406 -12.846 -1.328 1.00 0.00 C ATOM 719 CD2 PHE A 49 -14.094 -11.959 -2.760 1.00 0.00 C ATOM 720 CE1 PHE A 49 -11.863 -11.584 -1.181 1.00 0.00 C ATOM 721 CE2 PHE A 49 -13.556 -10.694 -2.617 1.00 0.00 C ATOM 722 CZ PHE A 49 -12.438 -10.507 -1.827 1.00 0.00 C ATOM 0 H PHE A 49 -16.301 -13.209 -0.457 1.00 0.00 H new ATOM 0 HA PHE A 49 -15.482 -15.798 -1.351 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -13.308 -15.155 -2.274 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -14.606 -14.488 -3.246 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -11.952 -13.685 -0.821 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -14.967 -12.101 -3.379 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -10.990 -11.440 -0.562 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -14.009 -9.853 -3.122 1.00 0.00 H new ATOM 0 HZ PHE A 49 -12.014 -9.520 -1.715 1.00 0.00 H new ATOM 732 N THR A 50 -13.472 -15.622 0.389 1.00 0.00 N ATOM 733 CA THR A 50 -12.745 -15.683 1.651 1.00 0.00 C ATOM 734 C THR A 50 -11.570 -14.712 1.657 1.00 0.00 C ATOM 735 O THR A 50 -10.590 -14.903 0.937 1.00 0.00 O ATOM 736 CB THR A 50 -12.222 -17.105 1.930 1.00 0.00 C ATOM 737 OG1 THR A 50 -13.277 -18.057 1.760 1.00 0.00 O ATOM 738 CG2 THR A 50 -11.661 -17.208 3.340 1.00 0.00 C ATOM 0 H THR A 50 -13.172 -16.307 -0.304 1.00 0.00 H new ATOM 0 HA THR A 50 -13.449 -15.402 2.434 1.00 0.00 H new ATOM 0 HB THR A 50 -11.422 -17.320 1.221 1.00 0.00 H new ATOM 0 HG1 THR A 50 -12.936 -18.958 1.937 1.00 0.00 H new ATOM 0 HG21 THR A 50 -11.298 -18.221 3.514 1.00 0.00 H new ATOM 0 HG22 THR A 50 -10.838 -16.502 3.457 1.00 0.00 H new ATOM 0 HG23 THR A 50 -12.444 -16.975 4.061 1.00 0.00 H new ATOM 746 N VAL A 51 -11.675 -13.668 2.474 1.00 0.00 N ATOM 747 CA VAL A 51 -10.620 -12.667 2.574 1.00 0.00 C ATOM 748 C VAL A 51 -9.322 -13.286 3.083 1.00 0.00 C ATOM 749 O VAL A 51 -9.187 -13.582 4.269 1.00 0.00 O ATOM 750 CB VAL A 51 -11.027 -11.514 3.510 1.00 0.00 C ATOM 751 CG1 VAL A 51 -10.021 -10.376 3.426 1.00 0.00 C ATOM 752 CG2 VAL A 51 -12.428 -11.024 3.173 1.00 0.00 C ATOM 0 H VAL A 51 -12.480 -13.494 3.076 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.462 -12.272 1.570 1.00 0.00 H new ATOM 0 HB VAL A 51 -11.033 -11.886 4.535 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.326 -9.571 4.094 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.036 -10.739 3.720 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -9.979 -10.002 2.403 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -12.700 -10.209 3.844 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.451 -10.669 2.143 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -13.138 -11.843 3.290 1.00 0.00 H new ATOM 762 N GLY A 52 -8.369 -13.477 2.176 1.00 0.00 N ATOM 763 CA GLY A 52 -7.094 -14.059 2.552 1.00 0.00 C ATOM 764 C GLY A 52 -6.751 -15.286 1.730 1.00 0.00 C ATOM 765 O GLY A 52 -5.597 -15.714 1.693 1.00 0.00 O ATOM 0 H GLY A 52 -8.457 -13.239 1.188 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.308 -13.313 2.431 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.118 -14.328 3.608 1.00 0.00 H new ATOM 769 N ARG A 53 -7.755 -15.853 1.070 1.00 0.00 N ATOM 770 CA ARG A 53 -7.555 -17.039 0.246 1.00 0.00 C ATOM 771 C ARG A 53 -6.905 -16.674 -1.085 1.00 0.00 C ATOM 772 O ARG A 53 -6.777 -15.498 -1.423 1.00 0.00 O ATOM 773 CB ARG A 53 -8.889 -17.745 -0.002 1.00 0.00 C ATOM 774 CG ARG A 53 -9.260 -18.744 1.082 1.00 0.00 C ATOM 775 CD ARG A 53 -8.351 -19.963 1.051 1.00 0.00 C ATOM 776 NE ARG A 53 -9.018 -21.157 1.564 1.00 0.00 N ATOM 777 CZ ARG A 53 -9.174 -21.413 2.858 1.00 0.00 C ATOM 778 NH1 ARG A 53 -8.712 -20.564 3.766 1.00 0.00 N ATOM 779 NH2 ARG A 53 -9.792 -22.521 3.247 1.00 0.00 N ATOM 0 H ARG A 53 -8.715 -15.510 1.090 1.00 0.00 H new ATOM 0 HA ARG A 53 -6.889 -17.714 0.782 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.678 -16.997 -0.080 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.844 -18.262 -0.961 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.194 -18.264 2.058 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.296 -19.058 0.950 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.021 -20.143 0.028 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.458 -19.764 1.643 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.384 -21.831 0.892 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.235 -19.712 3.471 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.833 -20.763 4.759 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.148 -23.177 2.552 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -9.911 -22.716 4.241 1.00 0.00 H new ATOM 793 N GLY A 54 -6.496 -17.691 -1.837 1.00 0.00 N ATOM 794 CA GLY A 54 -5.864 -17.456 -3.122 1.00 0.00 C ATOM 795 C GLY A 54 -6.862 -17.428 -4.263 1.00 0.00 C ATOM 796 O GLY A 54 -6.487 -17.559 -5.427 1.00 0.00 O ATOM 0 H GLY A 54 -6.591 -18.673 -1.579 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.326 -16.509 -3.091 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.126 -18.236 -3.308 1.00 0.00 H new ATOM 800 N GLU A 55 -8.137 -17.257 -3.927 1.00 0.00 N ATOM 801 CA GLU A 55 -9.192 -17.214 -4.933 1.00 0.00 C ATOM 802 C GLU A 55 -9.327 -15.813 -5.520 1.00 0.00 C ATOM 803 O GLU A 55 -9.834 -15.638 -6.628 1.00 0.00 O ATOM 804 CB GLU A 55 -10.525 -17.656 -4.325 1.00 0.00 C ATOM 805 CG GLU A 55 -10.504 -19.072 -3.775 1.00 0.00 C ATOM 806 CD GLU A 55 -10.622 -20.122 -4.863 1.00 0.00 C ATOM 807 OE1 GLU A 55 -11.400 -19.905 -5.816 1.00 0.00 O ATOM 808 OE2 GLU A 55 -9.936 -21.161 -4.761 1.00 0.00 O ATOM 0 H GLU A 55 -8.464 -17.146 -2.967 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.922 -17.900 -5.736 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.795 -16.968 -3.524 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.303 -17.582 -5.084 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.578 -19.229 -3.222 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.323 -19.195 -3.066 1.00 0.00 H new ATOM 815 N VAL A 56 -8.871 -14.816 -4.768 1.00 0.00 N ATOM 816 CA VAL A 56 -8.940 -13.429 -5.213 1.00 0.00 C ATOM 817 C VAL A 56 -7.546 -12.845 -5.411 1.00 0.00 C ATOM 818 O VAL A 56 -6.542 -13.535 -5.232 1.00 0.00 O ATOM 819 CB VAL A 56 -9.713 -12.555 -4.208 1.00 0.00 C ATOM 820 CG1 VAL A 56 -11.206 -12.833 -4.295 1.00 0.00 C ATOM 821 CG2 VAL A 56 -9.200 -12.789 -2.795 1.00 0.00 C ATOM 0 H VAL A 56 -8.450 -14.943 -3.848 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.469 -13.428 -6.166 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.548 -11.508 -4.462 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.735 -12.206 -3.577 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -11.560 -12.610 -5.302 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.395 -13.882 -4.068 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.757 -12.164 -2.097 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.333 -13.837 -2.528 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -8.141 -12.534 -2.745 1.00 0.00 H new ATOM 831 N ILE A 57 -7.491 -11.570 -5.781 1.00 0.00 N ATOM 832 CA ILE A 57 -6.220 -10.893 -6.002 1.00 0.00 C ATOM 833 C ILE A 57 -5.761 -10.161 -4.745 1.00 0.00 C ATOM 834 O ILE A 57 -6.565 -9.856 -3.864 1.00 0.00 O ATOM 835 CB ILE A 57 -6.312 -9.886 -7.164 1.00 0.00 C ATOM 836 CG1 ILE A 57 -7.477 -8.920 -6.939 1.00 0.00 C ATOM 837 CG2 ILE A 57 -6.472 -10.619 -8.488 1.00 0.00 C ATOM 838 CD1 ILE A 57 -7.217 -7.527 -7.468 1.00 0.00 C ATOM 0 H ILE A 57 -8.313 -10.985 -5.934 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.493 -11.664 -6.257 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.388 -9.309 -7.200 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -8.369 -9.322 -7.419 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.689 -8.861 -5.871 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.536 -9.894 -9.300 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.613 -11.270 -8.649 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.382 -11.218 -8.464 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.085 -6.896 -7.274 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.344 -7.106 -6.970 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.035 -7.574 -8.542 1.00 0.00 H new ATOM 850 N ARG A 58 -4.464 -9.880 -4.670 1.00 0.00 N ATOM 851 CA ARG A 58 -3.899 -9.183 -3.522 1.00 0.00 C ATOM 852 C ARG A 58 -4.682 -7.909 -3.219 1.00 0.00 C ATOM 853 O ARG A 58 -5.017 -7.632 -2.069 1.00 0.00 O ATOM 854 CB ARG A 58 -2.429 -8.843 -3.777 1.00 0.00 C ATOM 855 CG ARG A 58 -1.581 -10.048 -4.149 1.00 0.00 C ATOM 856 CD ARG A 58 -1.615 -11.110 -3.062 1.00 0.00 C ATOM 857 NE ARG A 58 -0.446 -11.984 -3.114 1.00 0.00 N ATOM 858 CZ ARG A 58 -0.301 -13.064 -2.353 1.00 0.00 C ATOM 859 NH1 ARG A 58 -1.247 -13.400 -1.487 1.00 0.00 N ATOM 860 NH2 ARG A 58 0.791 -13.809 -2.459 1.00 0.00 N ATOM 0 H ARG A 58 -3.785 -10.125 -5.391 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.967 -9.844 -2.658 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.369 -8.106 -4.578 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.012 -8.378 -2.884 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -1.942 -10.473 -5.086 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.552 -9.732 -4.318 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.664 -10.628 -2.086 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.520 -11.708 -3.168 1.00 0.00 H new ATOM 0 HE ARG A 58 0.300 -11.753 -3.770 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.088 -12.829 -1.404 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.134 -14.229 -0.904 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.520 -13.553 -3.125 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.902 -14.638 -1.875 1.00 0.00 H new ATOM 874 N GLY A 59 -4.969 -7.135 -4.262 1.00 0.00 N ATOM 875 CA GLY A 59 -5.709 -5.899 -4.087 1.00 0.00 C ATOM 876 C GLY A 59 -6.971 -6.090 -3.269 1.00 0.00 C ATOM 877 O GLY A 59 -7.115 -5.508 -2.194 1.00 0.00 O ATOM 0 H GLY A 59 -4.702 -7.342 -5.224 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.071 -5.163 -3.598 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.971 -5.494 -5.065 1.00 0.00 H new ATOM 881 N TRP A 60 -7.887 -6.905 -3.779 1.00 0.00 N ATOM 882 CA TRP A 60 -9.144 -7.170 -3.088 1.00 0.00 C ATOM 883 C TRP A 60 -8.892 -7.648 -1.662 1.00 0.00 C ATOM 884 O TRP A 60 -9.555 -7.207 -0.723 1.00 0.00 O ATOM 885 CB TRP A 60 -9.960 -8.213 -3.852 1.00 0.00 C ATOM 886 CG TRP A 60 -10.629 -7.665 -5.076 1.00 0.00 C ATOM 887 CD1 TRP A 60 -10.858 -6.350 -5.365 1.00 0.00 C ATOM 888 CD2 TRP A 60 -11.156 -8.417 -6.174 1.00 0.00 C ATOM 889 NE1 TRP A 60 -11.496 -6.239 -6.577 1.00 0.00 N ATOM 890 CE2 TRP A 60 -11.690 -7.493 -7.094 1.00 0.00 C ATOM 891 CE3 TRP A 60 -11.227 -9.781 -6.471 1.00 0.00 C ATOM 892 CZ2 TRP A 60 -12.286 -7.891 -8.287 1.00 0.00 C ATOM 893 CZ3 TRP A 60 -11.820 -10.174 -7.656 1.00 0.00 C ATOM 894 CH2 TRP A 60 -12.343 -9.232 -8.552 1.00 0.00 C ATOM 0 H TRP A 60 -7.783 -7.394 -4.668 1.00 0.00 H new ATOM 0 HA TRP A 60 -9.708 -6.239 -3.044 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -9.305 -9.035 -4.142 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -10.718 -8.628 -3.188 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -10.579 -5.519 -4.734 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -11.779 -5.365 -7.020 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -10.826 -10.514 -5.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -12.689 -7.167 -8.979 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -11.881 -11.225 -7.896 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -12.800 -9.571 -9.470 1.00 0.00 H new ATOM 905 N ASP A 61 -7.929 -8.551 -1.507 1.00 0.00 N ATOM 906 CA ASP A 61 -7.589 -9.087 -0.195 1.00 0.00 C ATOM 907 C ASP A 61 -7.381 -7.963 0.815 1.00 0.00 C ATOM 908 O ASP A 61 -8.115 -7.855 1.797 1.00 0.00 O ATOM 909 CB ASP A 61 -6.328 -9.949 -0.284 1.00 0.00 C ATOM 910 CG ASP A 61 -6.328 -11.082 0.723 1.00 0.00 C ATOM 911 OD1 ASP A 61 -7.155 -11.043 1.658 1.00 0.00 O ATOM 912 OD2 ASP A 61 -5.502 -12.006 0.577 1.00 0.00 O ATOM 0 H ASP A 61 -7.371 -8.926 -2.274 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.420 -9.706 0.144 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.243 -10.361 -1.290 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.451 -9.322 -0.121 1.00 0.00 H new ATOM 917 N GLU A 62 -6.376 -7.129 0.566 1.00 0.00 N ATOM 918 CA GLU A 62 -6.072 -6.014 1.455 1.00 0.00 C ATOM 919 C GLU A 62 -7.235 -5.028 1.510 1.00 0.00 C ATOM 920 O GLU A 62 -7.660 -4.611 2.586 1.00 0.00 O ATOM 921 CB GLU A 62 -4.801 -5.297 0.994 1.00 0.00 C ATOM 922 CG GLU A 62 -3.521 -6.020 1.374 1.00 0.00 C ATOM 923 CD GLU A 62 -3.309 -6.081 2.875 1.00 0.00 C ATOM 924 OE1 GLU A 62 -2.899 -5.056 3.458 1.00 0.00 O ATOM 925 OE2 GLU A 62 -3.553 -7.154 3.466 1.00 0.00 O ATOM 0 H GLU A 62 -5.759 -7.204 -0.243 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.912 -6.415 2.456 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.833 -5.179 -0.089 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.783 -4.295 1.423 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.548 -7.033 0.973 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.672 -5.516 0.911 1.00 0.00 H new ATOM 932 N GLY A 63 -7.745 -4.659 0.338 1.00 0.00 N ATOM 933 CA GLY A 63 -8.854 -3.724 0.274 1.00 0.00 C ATOM 934 C GLY A 63 -10.014 -4.139 1.157 1.00 0.00 C ATOM 935 O GLY A 63 -10.333 -3.463 2.135 1.00 0.00 O ATOM 0 H GLY A 63 -7.410 -4.990 -0.567 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.509 -2.735 0.574 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.197 -3.643 -0.757 1.00 0.00 H new ATOM 939 N VAL A 64 -10.649 -5.255 0.811 1.00 0.00 N ATOM 940 CA VAL A 64 -11.782 -5.759 1.578 1.00 0.00 C ATOM 941 C VAL A 64 -11.406 -5.964 3.042 1.00 0.00 C ATOM 942 O VAL A 64 -12.238 -5.809 3.934 1.00 0.00 O ATOM 943 CB VAL A 64 -12.303 -7.089 1.002 1.00 0.00 C ATOM 944 CG1 VAL A 64 -11.330 -8.219 1.302 1.00 0.00 C ATOM 945 CG2 VAL A 64 -13.685 -7.403 1.555 1.00 0.00 C ATOM 0 H VAL A 64 -10.398 -5.827 0.005 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.570 -5.009 1.509 1.00 0.00 H new ATOM 0 HB VAL A 64 -12.384 -6.990 -0.080 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.715 -9.151 0.887 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.362 -7.995 0.853 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.214 -8.323 2.381 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -14.038 -8.346 1.138 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -13.633 -7.484 2.641 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -14.376 -6.605 1.283 1.00 0.00 H new ATOM 955 N ALA A 65 -10.146 -6.314 3.280 1.00 0.00 N ATOM 956 CA ALA A 65 -9.659 -6.538 4.635 1.00 0.00 C ATOM 957 C ALA A 65 -9.775 -5.272 5.477 1.00 0.00 C ATOM 958 O ALA A 65 -10.103 -5.331 6.661 1.00 0.00 O ATOM 959 CB ALA A 65 -8.217 -7.023 4.604 1.00 0.00 C ATOM 0 H ALA A 65 -9.444 -6.448 2.552 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.280 -7.307 5.095 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.866 -7.186 5.623 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.159 -7.958 4.046 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.591 -6.273 4.121 1.00 0.00 H new ATOM 965 N GLN A 66 -9.503 -4.128 4.857 1.00 0.00 N ATOM 966 CA GLN A 66 -9.576 -2.847 5.551 1.00 0.00 C ATOM 967 C GLN A 66 -10.931 -2.184 5.329 1.00 0.00 C ATOM 968 O GLN A 66 -11.087 -0.982 5.540 1.00 0.00 O ATOM 969 CB GLN A 66 -8.457 -1.920 5.073 1.00 0.00 C ATOM 970 CG GLN A 66 -7.062 -2.447 5.369 1.00 0.00 C ATOM 971 CD GLN A 66 -5.980 -1.671 4.645 1.00 0.00 C ATOM 972 OE1 GLN A 66 -5.213 -0.930 5.262 1.00 0.00 O ATOM 973 NE2 GLN A 66 -5.911 -1.837 3.329 1.00 0.00 N ATOM 0 H GLN A 66 -9.230 -4.062 3.876 1.00 0.00 H new ATOM 0 HA GLN A 66 -9.454 -3.033 6.618 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -8.558 -1.766 3.999 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -8.576 -0.946 5.547 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -6.880 -2.401 6.443 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -7.006 -3.497 5.081 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -6.567 -2.461 2.859 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.202 -1.341 2.789 1.00 0.00 H new ATOM 982 N MET A 67 -11.909 -2.977 4.901 1.00 0.00 N ATOM 983 CA MET A 67 -13.252 -2.466 4.651 1.00 0.00 C ATOM 984 C MET A 67 -14.200 -2.854 5.781 1.00 0.00 C ATOM 985 O MET A 67 -14.031 -3.895 6.416 1.00 0.00 O ATOM 986 CB MET A 67 -13.783 -2.997 3.319 1.00 0.00 C ATOM 987 CG MET A 67 -13.106 -2.381 2.105 1.00 0.00 C ATOM 988 SD MET A 67 -14.287 -1.770 0.887 1.00 0.00 S ATOM 989 CE MET A 67 -15.286 -0.681 1.899 1.00 0.00 C ATOM 0 H MET A 67 -11.796 -3.975 4.720 1.00 0.00 H new ATOM 0 HA MET A 67 -13.197 -1.378 4.604 1.00 0.00 H new ATOM 0 HB2 MET A 67 -13.650 -4.078 3.289 1.00 0.00 H new ATOM 0 HB3 MET A 67 -14.855 -2.806 3.263 1.00 0.00 H new ATOM 0 HG2 MET A 67 -12.466 -1.560 2.428 1.00 0.00 H new ATOM 0 HG3 MET A 67 -12.460 -3.124 1.638 1.00 0.00 H new ATOM 0 HE1 MET A 67 -16.253 -1.147 2.089 1.00 0.00 H new ATOM 0 HE2 MET A 67 -14.779 -0.498 2.846 1.00 0.00 H new ATOM 0 HE3 MET A 67 -15.435 0.265 1.378 1.00 0.00 H new ATOM 999 N SER A 68 -15.198 -2.011 6.027 1.00 0.00 N ATOM 1000 CA SER A 68 -16.170 -2.265 7.084 1.00 0.00 C ATOM 1001 C SER A 68 -17.568 -2.452 6.502 1.00 0.00 C ATOM 1002 O SER A 68 -17.942 -1.794 5.531 1.00 0.00 O ATOM 1003 CB SER A 68 -16.174 -1.112 8.090 1.00 0.00 C ATOM 1004 OG SER A 68 -16.231 0.141 7.430 1.00 0.00 O ATOM 0 H SER A 68 -15.355 -1.146 5.509 1.00 0.00 H new ATOM 0 HA SER A 68 -15.882 -3.183 7.596 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.028 -1.213 8.760 1.00 0.00 H new ATOM 0 HB3 SER A 68 -15.277 -1.161 8.707 1.00 0.00 H new ATOM 0 HG SER A 68 -15.373 0.318 6.990 1.00 0.00 H new ATOM 1010 N VAL A 69 -18.337 -3.354 7.103 1.00 0.00 N ATOM 1011 CA VAL A 69 -19.694 -3.629 6.647 1.00 0.00 C ATOM 1012 C VAL A 69 -20.494 -2.340 6.495 1.00 0.00 C ATOM 1013 O VAL A 69 -20.610 -1.555 7.436 1.00 0.00 O ATOM 1014 CB VAL A 69 -20.434 -4.568 7.618 1.00 0.00 C ATOM 1015 CG1 VAL A 69 -21.868 -4.788 7.160 1.00 0.00 C ATOM 1016 CG2 VAL A 69 -19.696 -5.892 7.743 1.00 0.00 C ATOM 0 H VAL A 69 -18.043 -3.907 7.908 1.00 0.00 H new ATOM 0 HA VAL A 69 -19.609 -4.117 5.676 1.00 0.00 H new ATOM 0 HB VAL A 69 -20.461 -4.099 8.601 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -22.375 -5.454 7.858 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -22.390 -3.832 7.127 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -21.868 -5.236 6.166 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -20.232 -6.544 8.433 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -19.637 -6.369 6.765 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -18.689 -5.713 8.121 1.00 0.00 H new ATOM 1026 N GLY A 70 -21.045 -2.128 5.304 1.00 0.00 N ATOM 1027 CA GLY A 70 -21.828 -0.932 5.051 1.00 0.00 C ATOM 1028 C GLY A 70 -20.969 0.248 4.645 1.00 0.00 C ATOM 1029 O GLY A 70 -21.444 1.382 4.599 1.00 0.00 O ATOM 0 H GLY A 70 -20.963 -2.763 4.510 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -22.554 -1.137 4.264 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -22.393 -0.675 5.947 1.00 0.00 H new ATOM 1033 N GLN A 71 -19.700 -0.018 4.351 1.00 0.00 N ATOM 1034 CA GLN A 71 -18.772 1.032 3.949 1.00 0.00 C ATOM 1035 C GLN A 71 -18.439 0.926 2.465 1.00 0.00 C ATOM 1036 O GLN A 71 -18.446 -0.165 1.894 1.00 0.00 O ATOM 1037 CB GLN A 71 -17.490 0.954 4.779 1.00 0.00 C ATOM 1038 CG GLN A 71 -16.714 2.261 4.824 1.00 0.00 C ATOM 1039 CD GLN A 71 -15.218 2.056 4.684 1.00 0.00 C ATOM 1040 OE1 GLN A 71 -14.502 1.928 5.678 1.00 0.00 O ATOM 1041 NE2 GLN A 71 -14.737 2.023 3.447 1.00 0.00 N ATOM 0 H GLN A 71 -19.291 -0.952 4.384 1.00 0.00 H new ATOM 0 HA GLN A 71 -19.253 1.994 4.126 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -17.743 0.656 5.796 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -16.848 0.174 4.369 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -17.064 2.915 4.025 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -16.921 2.770 5.766 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -15.366 2.133 2.652 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.738 1.887 3.292 1.00 0.00 H new ATOM 1050 N ARG A 72 -18.146 2.065 1.846 1.00 0.00 N ATOM 1051 CA ARG A 72 -17.811 2.099 0.427 1.00 0.00 C ATOM 1052 C ARG A 72 -16.600 2.992 0.176 1.00 0.00 C ATOM 1053 O ARG A 72 -16.493 4.083 0.736 1.00 0.00 O ATOM 1054 CB ARG A 72 -19.005 2.600 -0.388 1.00 0.00 C ATOM 1055 CG ARG A 72 -18.743 2.647 -1.885 1.00 0.00 C ATOM 1056 CD ARG A 72 -20.034 2.528 -2.680 1.00 0.00 C ATOM 1057 NE ARG A 72 -21.003 3.554 -2.306 1.00 0.00 N ATOM 1058 CZ ARG A 72 -20.941 4.812 -2.728 1.00 0.00 C ATOM 1059 NH1 ARG A 72 -19.961 5.197 -3.533 1.00 0.00 N ATOM 1060 NH2 ARG A 72 -21.862 5.687 -2.344 1.00 0.00 N ATOM 0 H ARG A 72 -18.134 2.976 2.304 1.00 0.00 H new ATOM 0 HA ARG A 72 -17.564 1.085 0.113 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -19.861 1.953 -0.198 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -19.276 3.598 -0.044 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -18.243 3.582 -2.139 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -18.067 1.838 -2.163 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -19.813 2.609 -3.744 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -20.470 1.542 -2.519 1.00 0.00 H new ATOM 0 HE ARG A 72 -21.770 3.290 -1.687 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -19.252 4.527 -3.830 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -19.916 6.164 -3.855 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -22.618 5.394 -1.725 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -21.814 6.653 -2.668 1.00 0.00 H new ATOM 1074 N ALA A 73 -15.688 2.519 -0.668 1.00 0.00 N ATOM 1075 CA ALA A 73 -14.485 3.275 -0.994 1.00 0.00 C ATOM 1076 C ALA A 73 -13.887 2.811 -2.318 1.00 0.00 C ATOM 1077 O ALA A 73 -14.284 1.780 -2.863 1.00 0.00 O ATOM 1078 CB ALA A 73 -13.461 3.145 0.124 1.00 0.00 C ATOM 0 H ALA A 73 -15.760 1.616 -1.138 1.00 0.00 H new ATOM 0 HA ALA A 73 -14.762 4.324 -1.098 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.568 3.714 -0.133 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.884 3.532 1.051 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.197 2.096 0.255 1.00 0.00 H new ATOM 1084 N LYS A 74 -12.932 3.578 -2.832 1.00 0.00 N ATOM 1085 CA LYS A 74 -12.278 3.246 -4.092 1.00 0.00 C ATOM 1086 C LYS A 74 -11.002 2.447 -3.849 1.00 0.00 C ATOM 1087 O LYS A 74 -10.179 2.813 -3.010 1.00 0.00 O ATOM 1088 CB LYS A 74 -11.953 4.522 -4.873 1.00 0.00 C ATOM 1089 CG LYS A 74 -12.979 5.626 -4.688 1.00 0.00 C ATOM 1090 CD LYS A 74 -12.621 6.861 -5.499 1.00 0.00 C ATOM 1091 CE LYS A 74 -13.857 7.504 -6.109 1.00 0.00 C ATOM 1092 NZ LYS A 74 -13.566 8.113 -7.437 1.00 0.00 N ATOM 0 H LYS A 74 -12.593 4.435 -2.395 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.963 2.633 -4.678 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.976 4.890 -4.561 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.879 4.280 -5.933 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -13.962 5.264 -4.989 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.045 5.889 -3.632 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.112 7.582 -4.860 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.923 6.588 -6.291 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -14.641 6.754 -6.217 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -14.239 8.270 -5.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.433 8.541 -7.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.836 8.846 -7.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.226 7.378 -8.089 1.00 0.00 H new ATOM 1106 N LEU A 75 -10.844 1.355 -4.589 1.00 0.00 N ATOM 1107 CA LEU A 75 -9.667 0.504 -4.455 1.00 0.00 C ATOM 1108 C LEU A 75 -8.734 0.673 -5.650 1.00 0.00 C ATOM 1109 O LEU A 75 -8.905 0.024 -6.682 1.00 0.00 O ATOM 1110 CB LEU A 75 -10.085 -0.962 -4.324 1.00 0.00 C ATOM 1111 CG LEU A 75 -9.068 -1.893 -3.664 1.00 0.00 C ATOM 1112 CD1 LEU A 75 -8.887 -1.533 -2.198 1.00 0.00 C ATOM 1113 CD2 LEU A 75 -9.501 -3.345 -3.810 1.00 0.00 C ATOM 0 H LEU A 75 -11.516 1.038 -5.288 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.132 0.805 -3.554 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -11.012 -1.005 -3.752 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -10.307 -1.346 -5.320 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.109 -1.768 -4.168 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.159 -2.207 -1.745 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.531 -0.506 -2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.841 -1.628 -1.680 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.765 -3.994 -3.334 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.471 -3.485 -3.333 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.577 -3.597 -4.868 1.00 0.00 H new ATOM 1125 N VAL A 76 -7.745 1.549 -5.502 1.00 0.00 N ATOM 1126 CA VAL A 76 -6.782 1.802 -6.567 1.00 0.00 C ATOM 1127 C VAL A 76 -5.478 1.051 -6.320 1.00 0.00 C ATOM 1128 O VAL A 76 -4.650 1.473 -5.512 1.00 0.00 O ATOM 1129 CB VAL A 76 -6.477 3.305 -6.704 1.00 0.00 C ATOM 1130 CG1 VAL A 76 -6.122 3.903 -5.351 1.00 0.00 C ATOM 1131 CG2 VAL A 76 -5.356 3.533 -7.707 1.00 0.00 C ATOM 0 H VAL A 76 -7.590 2.095 -4.655 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.234 1.445 -7.492 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.371 3.807 -7.074 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.910 4.966 -5.467 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.959 3.773 -4.665 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.243 3.399 -4.950 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.154 4.601 -7.791 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.456 3.019 -7.370 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.654 3.143 -8.680 1.00 0.00 H new ATOM 1141 N CYS A 77 -5.303 -0.065 -7.019 1.00 0.00 N ATOM 1142 CA CYS A 77 -4.099 -0.876 -6.875 1.00 0.00 C ATOM 1143 C CYS A 77 -3.443 -1.121 -8.230 1.00 0.00 C ATOM 1144 O CYS A 77 -4.066 -0.935 -9.275 1.00 0.00 O ATOM 1145 CB CYS A 77 -4.436 -2.211 -6.209 1.00 0.00 C ATOM 1146 SG CYS A 77 -5.723 -3.156 -7.058 1.00 0.00 S ATOM 0 H CYS A 77 -5.979 -0.429 -7.691 1.00 0.00 H new ATOM 0 HA CYS A 77 -3.396 -0.331 -6.245 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -3.531 -2.817 -6.155 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -4.755 -2.023 -5.184 1.00 0.00 H new ATOM 0 HG CYS A 77 -5.762 -2.809 -8.310 1.00 0.00 H new ATOM 1152 N SER A 78 -2.181 -1.538 -8.204 1.00 0.00 N ATOM 1153 CA SER A 78 -1.438 -1.803 -9.431 1.00 0.00 C ATOM 1154 C SER A 78 -1.771 -3.187 -9.979 1.00 0.00 C ATOM 1155 O SER A 78 -2.383 -4.018 -9.307 1.00 0.00 O ATOM 1156 CB SER A 78 0.066 -1.691 -9.175 1.00 0.00 C ATOM 1157 OG SER A 78 0.612 -0.559 -9.830 1.00 0.00 O ATOM 0 H SER A 78 -1.652 -1.700 -7.347 1.00 0.00 H new ATOM 0 HA SER A 78 -1.730 -1.059 -10.172 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.251 -1.619 -8.103 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.566 -2.594 -9.525 1.00 0.00 H new ATOM 0 HG SER A 78 1.574 -0.509 -9.649 1.00 0.00 H new ATOM 1163 N PRO A 79 -1.359 -3.442 -11.230 1.00 0.00 N ATOM 1164 CA PRO A 79 -1.601 -4.725 -11.897 1.00 0.00 C ATOM 1165 C PRO A 79 -0.780 -5.858 -11.291 1.00 0.00 C ATOM 1166 O PRO A 79 -1.153 -7.027 -11.386 1.00 0.00 O ATOM 1167 CB PRO A 79 -1.166 -4.461 -13.340 1.00 0.00 C ATOM 1168 CG PRO A 79 -0.175 -3.353 -13.241 1.00 0.00 C ATOM 1169 CD PRO A 79 -0.625 -2.498 -12.089 1.00 0.00 C ATOM 0 HA PRO A 79 -2.639 -5.045 -11.802 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -0.722 -5.350 -13.788 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.014 -4.179 -13.964 1.00 0.00 H new ATOM 0 HG2 PRO A 79 0.829 -3.741 -13.070 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -0.141 -2.776 -14.165 1.00 0.00 H new ATOM 0 HD2 PRO A 79 0.221 -2.052 -11.565 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -1.262 -1.678 -12.422 1.00 0.00 H new ATOM 1177 N ASP A 80 0.338 -5.503 -10.668 1.00 0.00 N ATOM 1178 CA ASP A 80 1.212 -6.491 -10.044 1.00 0.00 C ATOM 1179 C ASP A 80 0.485 -7.230 -8.925 1.00 0.00 C ATOM 1180 O ASP A 80 0.826 -8.366 -8.594 1.00 0.00 O ATOM 1181 CB ASP A 80 2.469 -5.815 -9.493 1.00 0.00 C ATOM 1182 CG ASP A 80 3.416 -5.372 -10.591 1.00 0.00 C ATOM 1183 OD1 ASP A 80 3.891 -6.241 -11.352 1.00 0.00 O ATOM 1184 OD2 ASP A 80 3.682 -4.156 -10.689 1.00 0.00 O ATOM 0 H ASP A 80 0.661 -4.539 -10.581 1.00 0.00 H new ATOM 0 HA ASP A 80 1.502 -7.216 -10.805 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.181 -4.950 -8.895 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.987 -6.505 -8.827 1.00 0.00 H new ATOM 1189 N TYR A 81 -0.517 -6.579 -8.347 1.00 0.00 N ATOM 1190 CA TYR A 81 -1.290 -7.173 -7.263 1.00 0.00 C ATOM 1191 C TYR A 81 -2.713 -7.487 -7.716 1.00 0.00 C ATOM 1192 O TYR A 81 -3.605 -7.702 -6.896 1.00 0.00 O ATOM 1193 CB TYR A 81 -1.323 -6.233 -6.057 1.00 0.00 C ATOM 1194 CG TYR A 81 -0.193 -6.462 -5.079 1.00 0.00 C ATOM 1195 CD1 TYR A 81 1.085 -6.775 -5.524 1.00 0.00 C ATOM 1196 CD2 TYR A 81 -0.404 -6.365 -3.709 1.00 0.00 C ATOM 1197 CE1 TYR A 81 2.120 -6.986 -4.634 1.00 0.00 C ATOM 1198 CE2 TYR A 81 0.625 -6.573 -2.811 1.00 0.00 C ATOM 1199 CZ TYR A 81 1.885 -6.884 -3.279 1.00 0.00 C ATOM 1200 OH TYR A 81 2.914 -7.092 -2.389 1.00 0.00 O ATOM 0 H TYR A 81 -0.814 -5.639 -8.611 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.806 -8.106 -6.975 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.284 -5.202 -6.409 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -2.273 -6.356 -5.537 1.00 0.00 H new ATOM 0 HD1 TYR A 81 1.273 -6.855 -6.585 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -1.390 -6.123 -3.340 1.00 0.00 H new ATOM 0 HE1 TYR A 81 3.108 -7.229 -4.997 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.444 -6.493 -1.749 1.00 0.00 H new ATOM 0 HH TYR A 81 2.582 -6.982 -1.474 1.00 0.00 H new ATOM 1210 N ALA A 82 -2.916 -7.511 -9.029 1.00 0.00 N ATOM 1211 CA ALA A 82 -4.229 -7.801 -9.594 1.00 0.00 C ATOM 1212 C ALA A 82 -4.105 -8.402 -10.990 1.00 0.00 C ATOM 1213 O ALA A 82 -3.024 -8.825 -11.401 1.00 0.00 O ATOM 1214 CB ALA A 82 -5.077 -6.539 -9.633 1.00 0.00 C ATOM 0 H ALA A 82 -2.189 -7.333 -9.722 1.00 0.00 H new ATOM 0 HA ALA A 82 -4.719 -8.535 -8.954 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.054 -6.770 -10.057 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.202 -6.154 -8.621 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.583 -5.788 -10.249 1.00 0.00 H new ATOM 1220 N TYR A 83 -5.218 -8.437 -11.714 1.00 0.00 N ATOM 1221 CA TYR A 83 -5.235 -8.989 -13.063 1.00 0.00 C ATOM 1222 C TYR A 83 -5.002 -7.896 -14.102 1.00 0.00 C ATOM 1223 O TYR A 83 -5.275 -8.082 -15.287 1.00 0.00 O ATOM 1224 CB TYR A 83 -6.568 -9.690 -13.334 1.00 0.00 C ATOM 1225 CG TYR A 83 -7.770 -8.910 -12.852 1.00 0.00 C ATOM 1226 CD1 TYR A 83 -8.047 -7.643 -13.350 1.00 0.00 C ATOM 1227 CD2 TYR A 83 -8.631 -9.442 -11.899 1.00 0.00 C ATOM 1228 CE1 TYR A 83 -9.144 -6.927 -12.911 1.00 0.00 C ATOM 1229 CE2 TYR A 83 -9.731 -8.734 -11.456 1.00 0.00 C ATOM 1230 CZ TYR A 83 -9.983 -7.477 -11.965 1.00 0.00 C ATOM 1231 OH TYR A 83 -11.078 -6.768 -11.527 1.00 0.00 O ATOM 0 H TYR A 83 -6.120 -8.090 -11.389 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.427 -9.717 -13.140 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -6.665 -9.866 -14.405 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -6.561 -10.666 -12.850 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.394 -7.210 -14.093 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -8.436 -10.426 -11.498 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.343 -5.942 -13.307 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -10.390 -9.162 -10.715 1.00 0.00 H new ATOM 0 HH TYR A 83 -10.808 -5.852 -11.306 1.00 0.00 H new ATOM 1241 N GLY A 84 -4.494 -6.755 -13.647 1.00 0.00 N ATOM 1242 CA GLY A 84 -4.232 -5.648 -14.549 1.00 0.00 C ATOM 1243 C GLY A 84 -3.100 -5.941 -15.513 1.00 0.00 C ATOM 1244 O GLY A 84 -3.014 -5.337 -16.582 1.00 0.00 O ATOM 0 H GLY A 84 -4.259 -6.577 -12.670 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.136 -5.422 -15.114 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -3.989 -4.759 -13.967 1.00 0.00 H new ATOM 1248 N SER A 85 -2.229 -6.871 -15.135 1.00 0.00 N ATOM 1249 CA SER A 85 -1.093 -7.240 -15.972 1.00 0.00 C ATOM 1250 C SER A 85 -1.540 -7.516 -17.404 1.00 0.00 C ATOM 1251 O SER A 85 -1.262 -6.736 -18.314 1.00 0.00 O ATOM 1252 CB SER A 85 -0.388 -8.471 -15.399 1.00 0.00 C ATOM 1253 OG SER A 85 -1.325 -9.462 -15.014 1.00 0.00 O ATOM 0 H SER A 85 -2.288 -7.383 -14.255 1.00 0.00 H new ATOM 0 HA SER A 85 -0.395 -6.403 -15.983 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.295 -8.881 -16.142 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.214 -8.181 -14.538 1.00 0.00 H new ATOM 0 HG SER A 85 -0.849 -10.239 -14.653 1.00 0.00 H new ATOM 1259 N ARG A 86 -2.235 -8.633 -17.595 1.00 0.00 N ATOM 1260 CA ARG A 86 -2.721 -9.015 -18.915 1.00 0.00 C ATOM 1261 C ARG A 86 -3.827 -8.073 -19.381 1.00 0.00 C ATOM 1262 O ARG A 86 -3.708 -7.424 -20.419 1.00 0.00 O ATOM 1263 CB ARG A 86 -3.236 -10.455 -18.896 1.00 0.00 C ATOM 1264 CG ARG A 86 -4.026 -10.836 -20.138 1.00 0.00 C ATOM 1265 CD ARG A 86 -3.251 -10.523 -21.408 1.00 0.00 C ATOM 1266 NE ARG A 86 -1.916 -11.117 -21.395 1.00 0.00 N ATOM 1267 CZ ARG A 86 -0.943 -10.755 -22.223 1.00 0.00 C ATOM 1268 NH1 ARG A 86 -1.154 -9.806 -23.125 1.00 0.00 N ATOM 1269 NH2 ARG A 86 0.245 -11.342 -22.150 1.00 0.00 N ATOM 0 H ARG A 86 -2.474 -9.289 -16.852 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.889 -8.944 -19.615 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.389 -11.133 -18.792 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.866 -10.595 -18.018 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.263 -11.899 -20.108 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.974 -10.298 -20.147 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.804 -10.894 -22.271 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.166 -9.443 -21.524 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.721 -11.850 -20.713 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.066 -9.352 -23.184 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.405 -9.530 -23.760 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.411 -12.072 -21.457 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.992 -11.063 -22.787 1.00 0.00 H new ATOM 1283 N GLY A 87 -4.904 -8.004 -18.604 1.00 0.00 N ATOM 1284 CA GLY A 87 -6.017 -7.140 -18.954 1.00 0.00 C ATOM 1285 C GLY A 87 -6.738 -7.601 -20.205 1.00 0.00 C ATOM 1286 O GLY A 87 -6.554 -8.732 -20.656 1.00 0.00 O ATOM 0 H GLY A 87 -5.026 -8.531 -17.739 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.722 -7.107 -18.123 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.651 -6.124 -19.103 1.00 0.00 H new ATOM 1290 N HIS A 88 -7.562 -6.723 -20.768 1.00 0.00 N ATOM 1291 CA HIS A 88 -8.314 -7.046 -21.975 1.00 0.00 C ATOM 1292 C HIS A 88 -8.654 -5.781 -22.759 1.00 0.00 C ATOM 1293 O HIS A 88 -8.698 -4.678 -22.214 1.00 0.00 O ATOM 1294 CB HIS A 88 -9.597 -7.797 -21.617 1.00 0.00 C ATOM 1295 CG HIS A 88 -9.420 -9.283 -21.544 1.00 0.00 C ATOM 1296 ND1 HIS A 88 -8.815 -10.018 -22.541 1.00 0.00 N ATOM 1297 CD2 HIS A 88 -9.772 -10.170 -20.584 1.00 0.00 C ATOM 1298 CE1 HIS A 88 -8.803 -11.294 -22.198 1.00 0.00 C ATOM 1299 NE2 HIS A 88 -9.378 -11.413 -21.015 1.00 0.00 N ATOM 0 H HIS A 88 -7.726 -5.783 -20.408 1.00 0.00 H new ATOM 0 HA HIS A 88 -7.690 -7.684 -22.601 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -9.964 -7.435 -20.657 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -10.362 -7.566 -22.358 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -10.270 -9.943 -19.653 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -8.393 -12.102 -22.785 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -9.508 -12.286 -20.504 1.00 0.00 H new ATOM 1307 N PRO A 89 -8.898 -5.943 -24.067 1.00 0.00 N ATOM 1308 CA PRO A 89 -9.238 -4.825 -24.953 1.00 0.00 C ATOM 1309 C PRO A 89 -10.623 -4.256 -24.665 1.00 0.00 C ATOM 1310 O PRO A 89 -11.632 -4.943 -24.823 1.00 0.00 O ATOM 1311 CB PRO A 89 -9.198 -5.454 -26.348 1.00 0.00 C ATOM 1312 CG PRO A 89 -9.469 -6.901 -26.120 1.00 0.00 C ATOM 1313 CD PRO A 89 -8.864 -7.229 -24.783 1.00 0.00 C ATOM 0 HA PRO A 89 -8.555 -3.985 -24.829 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -9.947 -5.010 -27.004 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -8.228 -5.303 -26.823 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -10.540 -7.103 -26.124 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -9.027 -7.510 -26.909 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -9.437 -7.995 -24.260 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.846 -7.605 -24.884 1.00 0.00 H new ATOM 1321 N GLY A 90 -10.664 -2.997 -24.241 1.00 0.00 N ATOM 1322 CA GLY A 90 -11.930 -2.357 -23.937 1.00 0.00 C ATOM 1323 C GLY A 90 -12.436 -2.702 -22.550 1.00 0.00 C ATOM 1324 O GLY A 90 -13.556 -2.345 -22.184 1.00 0.00 O ATOM 0 H GLY A 90 -9.842 -2.409 -24.103 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -11.816 -1.276 -24.020 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -12.672 -2.658 -24.676 1.00 0.00 H new ATOM 1328 N VAL A 91 -11.611 -3.400 -21.777 1.00 0.00 N ATOM 1329 CA VAL A 91 -11.981 -3.795 -20.423 1.00 0.00 C ATOM 1330 C VAL A 91 -10.905 -3.394 -19.421 1.00 0.00 C ATOM 1331 O VAL A 91 -11.167 -2.644 -18.480 1.00 0.00 O ATOM 1332 CB VAL A 91 -12.218 -5.313 -20.326 1.00 0.00 C ATOM 1333 CG1 VAL A 91 -12.768 -5.682 -18.957 1.00 0.00 C ATOM 1334 CG2 VAL A 91 -13.156 -5.777 -21.430 1.00 0.00 C ATOM 0 H VAL A 91 -10.681 -3.704 -22.065 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.908 -3.275 -20.184 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.262 -5.821 -20.455 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.929 -6.759 -18.908 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -12.056 -5.386 -18.187 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -13.714 -5.166 -18.794 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -13.312 -6.852 -21.346 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -14.112 -5.263 -21.335 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.716 -5.549 -22.401 1.00 0.00 H new ATOM 1344 N ILE A 92 -9.693 -3.899 -19.628 1.00 0.00 N ATOM 1345 CA ILE A 92 -8.576 -3.592 -18.743 1.00 0.00 C ATOM 1346 C ILE A 92 -7.323 -3.243 -19.539 1.00 0.00 C ATOM 1347 O ILE A 92 -6.958 -3.924 -20.498 1.00 0.00 O ATOM 1348 CB ILE A 92 -8.262 -4.771 -17.804 1.00 0.00 C ATOM 1349 CG1 ILE A 92 -9.483 -5.105 -16.943 1.00 0.00 C ATOM 1350 CG2 ILE A 92 -7.062 -4.445 -16.927 1.00 0.00 C ATOM 1351 CD1 ILE A 92 -9.271 -6.290 -16.028 1.00 0.00 C ATOM 0 H ILE A 92 -9.460 -4.522 -20.401 1.00 0.00 H new ATOM 0 HA ILE A 92 -8.875 -2.731 -18.145 1.00 0.00 H new ATOM 0 HB ILE A 92 -8.018 -5.644 -18.410 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.743 -4.234 -16.342 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -10.333 -5.307 -17.595 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.853 -5.288 -16.269 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -6.193 -4.251 -17.556 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.279 -3.561 -16.327 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -10.177 -6.469 -15.448 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -9.041 -7.173 -16.624 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -8.442 -6.083 -15.351 1.00 0.00 H new ATOM 1363 N PRO A 93 -6.647 -2.158 -19.133 1.00 0.00 N ATOM 1364 CA PRO A 93 -5.423 -1.695 -19.794 1.00 0.00 C ATOM 1365 C PRO A 93 -4.247 -2.637 -19.559 1.00 0.00 C ATOM 1366 O PRO A 93 -4.231 -3.425 -18.614 1.00 0.00 O ATOM 1367 CB PRO A 93 -5.160 -0.337 -19.140 1.00 0.00 C ATOM 1368 CG PRO A 93 -5.819 -0.423 -17.807 1.00 0.00 C ATOM 1369 CD PRO A 93 -7.026 -1.300 -17.998 1.00 0.00 C ATOM 0 HA PRO A 93 -5.536 -1.647 -20.877 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -4.091 -0.146 -19.041 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.576 0.476 -19.735 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.143 -0.846 -17.064 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.107 0.566 -17.450 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.242 -1.887 -17.105 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.918 -0.714 -18.218 1.00 0.00 H new ATOM 1377 N PRO A 94 -3.237 -2.554 -20.438 1.00 0.00 N ATOM 1378 CA PRO A 94 -2.037 -3.391 -20.347 1.00 0.00 C ATOM 1379 C PRO A 94 -1.160 -3.019 -19.156 1.00 0.00 C ATOM 1380 O PRO A 94 -0.407 -2.048 -19.208 1.00 0.00 O ATOM 1381 CB PRO A 94 -1.305 -3.105 -21.660 1.00 0.00 C ATOM 1382 CG PRO A 94 -1.767 -1.748 -22.064 1.00 0.00 C ATOM 1383 CD PRO A 94 -3.189 -1.636 -21.589 1.00 0.00 C ATOM 0 HA PRO A 94 -2.283 -4.443 -20.201 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.224 -3.131 -21.524 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -1.549 -3.848 -22.419 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -1.144 -0.974 -21.616 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -1.705 -1.621 -23.145 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -3.437 -0.615 -21.299 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.896 -1.928 -22.365 1.00 0.00 H new ATOM 1391 N ASN A 95 -1.264 -3.798 -18.084 1.00 0.00 N ATOM 1392 CA ASN A 95 -0.480 -3.549 -16.880 1.00 0.00 C ATOM 1393 C ASN A 95 -0.574 -2.085 -16.462 1.00 0.00 C ATOM 1394 O ASN A 95 0.431 -1.377 -16.413 1.00 0.00 O ATOM 1395 CB ASN A 95 0.983 -3.932 -17.111 1.00 0.00 C ATOM 1396 CG ASN A 95 1.130 -5.123 -18.039 1.00 0.00 C ATOM 1397 OD1 ASN A 95 1.225 -6.265 -17.591 1.00 0.00 O ATOM 1398 ND2 ASN A 95 1.148 -4.859 -19.340 1.00 0.00 N ATOM 0 H ASN A 95 -1.883 -4.606 -18.025 1.00 0.00 H new ATOM 0 HA ASN A 95 -0.888 -4.164 -16.078 1.00 0.00 H new ATOM 0 HB2 ASN A 95 1.517 -3.080 -17.531 1.00 0.00 H new ATOM 0 HB3 ASN A 95 1.451 -4.161 -16.154 1.00 0.00 H new ATOM 0 HD21 ASN A 95 1.244 -5.619 -20.013 1.00 0.00 H new ATOM 0 HD22 ASN A 95 1.066 -3.896 -19.666 1.00 0.00 H new ATOM 1405 N ALA A 96 -1.789 -1.639 -16.160 1.00 0.00 N ATOM 1406 CA ALA A 96 -2.015 -0.260 -15.744 1.00 0.00 C ATOM 1407 C ALA A 96 -2.819 -0.202 -14.449 1.00 0.00 C ATOM 1408 O ALA A 96 -3.621 -1.092 -14.164 1.00 0.00 O ATOM 1409 CB ALA A 96 -2.725 0.514 -16.844 1.00 0.00 C ATOM 0 H ALA A 96 -2.632 -2.212 -16.196 1.00 0.00 H new ATOM 0 HA ALA A 96 -1.045 0.201 -15.559 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -2.887 1.542 -16.519 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -2.112 0.511 -17.745 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.686 0.045 -17.057 1.00 0.00 H new ATOM 1415 N THR A 97 -2.600 0.851 -13.668 1.00 0.00 N ATOM 1416 CA THR A 97 -3.303 1.024 -12.403 1.00 0.00 C ATOM 1417 C THR A 97 -4.813 0.960 -12.600 1.00 0.00 C ATOM 1418 O THR A 97 -5.353 1.555 -13.534 1.00 0.00 O ATOM 1419 CB THR A 97 -2.939 2.364 -11.737 1.00 0.00 C ATOM 1420 OG1 THR A 97 -1.521 2.558 -11.769 1.00 0.00 O ATOM 1421 CG2 THR A 97 -3.429 2.403 -10.297 1.00 0.00 C ATOM 0 H THR A 97 -1.941 1.597 -13.890 1.00 0.00 H new ATOM 0 HA THR A 97 -2.990 0.207 -11.753 1.00 0.00 H new ATOM 0 HB THR A 97 -3.427 3.165 -12.292 1.00 0.00 H new ATOM 0 HG1 THR A 97 -1.298 3.413 -11.345 1.00 0.00 H new ATOM 0 HG21 THR A 97 -3.160 3.359 -9.847 1.00 0.00 H new ATOM 0 HG22 THR A 97 -4.512 2.285 -10.278 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.966 1.594 -9.733 1.00 0.00 H new ATOM 1429 N LEU A 98 -5.490 0.237 -11.716 1.00 0.00 N ATOM 1430 CA LEU A 98 -6.940 0.096 -11.793 1.00 0.00 C ATOM 1431 C LEU A 98 -7.597 0.505 -10.478 1.00 0.00 C ATOM 1432 O LEU A 98 -7.077 0.225 -9.397 1.00 0.00 O ATOM 1433 CB LEU A 98 -7.315 -1.346 -12.136 1.00 0.00 C ATOM 1434 CG LEU A 98 -6.475 -2.018 -13.223 1.00 0.00 C ATOM 1435 CD1 LEU A 98 -6.826 -3.493 -13.334 1.00 0.00 C ATOM 1436 CD2 LEU A 98 -6.675 -1.318 -14.559 1.00 0.00 C ATOM 0 H LEU A 98 -5.059 -0.261 -10.937 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.303 0.756 -12.581 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.244 -1.945 -11.228 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.359 -1.364 -12.449 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.424 -1.936 -12.946 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.218 -3.954 -14.112 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.631 -3.986 -12.382 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.881 -3.598 -13.588 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -6.070 -1.809 -15.321 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.726 -1.368 -14.842 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -6.372 -0.275 -14.472 1.00 0.00 H new ATOM 1448 N THR A 99 -8.745 1.169 -10.577 1.00 0.00 N ATOM 1449 CA THR A 99 -9.474 1.616 -9.397 1.00 0.00 C ATOM 1450 C THR A 99 -10.855 0.974 -9.328 1.00 0.00 C ATOM 1451 O THR A 99 -11.777 1.384 -10.034 1.00 0.00 O ATOM 1452 CB THR A 99 -9.631 3.148 -9.381 1.00 0.00 C ATOM 1453 OG1 THR A 99 -8.355 3.773 -9.561 1.00 0.00 O ATOM 1454 CG2 THR A 99 -10.250 3.614 -8.071 1.00 0.00 C ATOM 0 H THR A 99 -9.190 1.409 -11.463 1.00 0.00 H new ATOM 0 HA THR A 99 -8.890 1.309 -8.529 1.00 0.00 H new ATOM 0 HB THR A 99 -10.293 3.433 -10.199 1.00 0.00 H new ATOM 0 HG1 THR A 99 -8.464 4.747 -9.551 1.00 0.00 H new ATOM 0 HG21 THR A 99 -10.351 4.699 -8.082 1.00 0.00 H new ATOM 0 HG22 THR A 99 -11.233 3.159 -7.951 1.00 0.00 H new ATOM 0 HG23 THR A 99 -9.609 3.318 -7.240 1.00 0.00 H new ATOM 1462 N PHE A 100 -10.992 -0.035 -8.474 1.00 0.00 N ATOM 1463 CA PHE A 100 -12.262 -0.734 -8.313 1.00 0.00 C ATOM 1464 C PHE A 100 -12.956 -0.310 -7.022 1.00 0.00 C ATOM 1465 O PHE A 100 -12.445 -0.540 -5.926 1.00 0.00 O ATOM 1466 CB PHE A 100 -12.039 -2.247 -8.313 1.00 0.00 C ATOM 1467 CG PHE A 100 -11.340 -2.750 -9.544 1.00 0.00 C ATOM 1468 CD1 PHE A 100 -11.689 -2.274 -10.798 1.00 0.00 C ATOM 1469 CD2 PHE A 100 -10.335 -3.699 -9.448 1.00 0.00 C ATOM 1470 CE1 PHE A 100 -11.048 -2.736 -11.932 1.00 0.00 C ATOM 1471 CE2 PHE A 100 -9.691 -4.165 -10.578 1.00 0.00 C ATOM 1472 CZ PHE A 100 -10.048 -3.682 -11.822 1.00 0.00 C ATOM 0 H PHE A 100 -10.239 -0.387 -7.883 1.00 0.00 H new ATOM 0 HA PHE A 100 -12.904 -0.469 -9.153 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -11.453 -2.520 -7.435 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -13.003 -2.748 -8.222 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -12.470 -1.534 -10.890 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -10.052 -4.079 -8.478 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -11.329 -2.357 -12.904 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -8.910 -4.906 -10.489 1.00 0.00 H new ATOM 0 HZ PHE A 100 -9.546 -4.044 -12.707 1.00 0.00 H new ATOM 1482 N ASP A 101 -14.123 0.309 -7.160 1.00 0.00 N ATOM 1483 CA ASP A 101 -14.888 0.765 -6.006 1.00 0.00 C ATOM 1484 C ASP A 101 -15.471 -0.418 -5.239 1.00 0.00 C ATOM 1485 O ASP A 101 -16.372 -1.103 -5.723 1.00 0.00 O ATOM 1486 CB ASP A 101 -16.011 1.703 -6.450 1.00 0.00 C ATOM 1487 CG ASP A 101 -15.692 3.159 -6.173 1.00 0.00 C ATOM 1488 OD1 ASP A 101 -14.535 3.567 -6.404 1.00 0.00 O ATOM 1489 OD2 ASP A 101 -16.600 3.891 -5.725 1.00 0.00 O ATOM 0 H ASP A 101 -14.560 0.507 -8.060 1.00 0.00 H new ATOM 0 HA ASP A 101 -14.212 1.307 -5.345 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -16.191 1.570 -7.517 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -16.932 1.431 -5.935 1.00 0.00 H new ATOM 1494 N VAL A 102 -14.949 -0.655 -4.039 1.00 0.00 N ATOM 1495 CA VAL A 102 -15.417 -1.755 -3.205 1.00 0.00 C ATOM 1496 C VAL A 102 -16.358 -1.256 -2.115 1.00 0.00 C ATOM 1497 O VAL A 102 -16.107 -0.227 -1.488 1.00 0.00 O ATOM 1498 CB VAL A 102 -14.240 -2.502 -2.550 1.00 0.00 C ATOM 1499 CG1 VAL A 102 -14.737 -3.727 -1.797 1.00 0.00 C ATOM 1500 CG2 VAL A 102 -13.208 -2.892 -3.597 1.00 0.00 C ATOM 0 H VAL A 102 -14.202 -0.099 -3.623 1.00 0.00 H new ATOM 0 HA VAL A 102 -15.955 -2.442 -3.859 1.00 0.00 H new ATOM 0 HB VAL A 102 -13.762 -1.834 -1.833 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -13.891 -4.242 -1.341 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -15.435 -3.418 -1.020 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -15.241 -4.401 -2.490 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.383 -3.419 -3.117 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -13.671 -3.542 -4.339 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -12.829 -1.995 -4.086 1.00 0.00 H new ATOM 1510 N GLU A 103 -17.442 -1.993 -1.894 1.00 0.00 N ATOM 1511 CA GLU A 103 -18.421 -1.625 -0.878 1.00 0.00 C ATOM 1512 C GLU A 103 -18.862 -2.847 -0.078 1.00 0.00 C ATOM 1513 O GLU A 103 -19.515 -3.748 -0.608 1.00 0.00 O ATOM 1514 CB GLU A 103 -19.637 -0.961 -1.528 1.00 0.00 C ATOM 1515 CG GLU A 103 -20.797 -0.743 -0.570 1.00 0.00 C ATOM 1516 CD GLU A 103 -21.968 -0.035 -1.222 1.00 0.00 C ATOM 1517 OE1 GLU A 103 -22.247 -0.315 -2.406 1.00 0.00 O ATOM 1518 OE2 GLU A 103 -22.605 0.801 -0.547 1.00 0.00 O ATOM 0 H GLU A 103 -17.664 -2.848 -2.404 1.00 0.00 H new ATOM 0 HA GLU A 103 -17.950 -0.917 -0.196 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -19.336 -0.000 -1.945 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -19.975 -1.578 -2.361 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -21.130 -1.706 -0.183 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -20.453 -0.158 0.283 1.00 0.00 H new ATOM 1525 N LEU A 104 -18.501 -2.873 1.200 1.00 0.00 N ATOM 1526 CA LEU A 104 -18.858 -3.984 2.074 1.00 0.00 C ATOM 1527 C LEU A 104 -20.369 -4.061 2.267 1.00 0.00 C ATOM 1528 O LEU A 104 -21.021 -3.056 2.552 1.00 0.00 O ATOM 1529 CB LEU A 104 -18.165 -3.835 3.430 1.00 0.00 C ATOM 1530 CG LEU A 104 -17.791 -5.137 4.139 1.00 0.00 C ATOM 1531 CD1 LEU A 104 -18.971 -6.096 4.152 1.00 0.00 C ATOM 1532 CD2 LEU A 104 -16.586 -5.782 3.469 1.00 0.00 C ATOM 0 H LEU A 104 -17.961 -2.137 1.654 1.00 0.00 H new ATOM 0 HA LEU A 104 -18.523 -4.908 1.602 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -17.258 -3.248 3.289 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -18.817 -3.261 4.088 1.00 0.00 H new ATOM 0 HG LEU A 104 -17.527 -4.903 5.170 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -18.686 -7.017 4.661 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -19.808 -5.636 4.677 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -19.266 -6.324 3.128 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -16.334 -6.707 3.987 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -16.823 -6.002 2.428 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -15.737 -5.099 3.512 1.00 0.00 H new ATOM 1544 N LEU A 105 -20.919 -5.261 2.113 1.00 0.00 N ATOM 1545 CA LEU A 105 -22.354 -5.470 2.273 1.00 0.00 C ATOM 1546 C LEU A 105 -22.646 -6.325 3.502 1.00 0.00 C ATOM 1547 O LEU A 105 -23.625 -6.095 4.212 1.00 0.00 O ATOM 1548 CB LEU A 105 -22.935 -6.137 1.025 1.00 0.00 C ATOM 1549 CG LEU A 105 -23.316 -5.199 -0.121 1.00 0.00 C ATOM 1550 CD1 LEU A 105 -23.848 -5.992 -1.305 1.00 0.00 C ATOM 1551 CD2 LEU A 105 -24.343 -4.178 0.344 1.00 0.00 C ATOM 0 H LEU A 105 -20.394 -6.103 1.878 1.00 0.00 H new ATOM 0 HA LEU A 105 -22.825 -4.496 2.410 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -22.208 -6.858 0.651 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -23.821 -6.700 1.317 1.00 0.00 H new ATOM 0 HG LEU A 105 -22.421 -4.664 -0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -24.114 -5.308 -2.111 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -23.081 -6.683 -1.654 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -24.731 -6.554 -1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -24.602 -3.519 -0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -25.238 -4.694 0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -23.926 -3.588 1.160 1.00 0.00 H new ATOM 1563 N ARG A 106 -21.788 -7.309 3.749 1.00 0.00 N ATOM 1564 CA ARG A 106 -21.953 -8.198 4.893 1.00 0.00 C ATOM 1565 C ARG A 106 -20.721 -9.078 5.080 1.00 0.00 C ATOM 1566 O ARG A 106 -19.915 -9.239 4.164 1.00 0.00 O ATOM 1567 CB ARG A 106 -23.195 -9.073 4.711 1.00 0.00 C ATOM 1568 CG ARG A 106 -23.160 -9.926 3.454 1.00 0.00 C ATOM 1569 CD ARG A 106 -23.756 -11.303 3.699 1.00 0.00 C ATOM 1570 NE ARG A 106 -25.208 -11.255 3.840 1.00 0.00 N ATOM 1571 CZ ARG A 106 -25.977 -12.336 3.905 1.00 0.00 C ATOM 1572 NH1 ARG A 106 -25.434 -13.544 3.841 1.00 0.00 N ATOM 1573 NH2 ARG A 106 -27.292 -12.211 4.033 1.00 0.00 N ATOM 0 H ARG A 106 -20.971 -7.511 3.172 1.00 0.00 H new ATOM 0 HA ARG A 106 -22.077 -7.583 5.784 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -23.301 -9.724 5.579 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -24.078 -8.434 4.682 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -23.712 -9.426 2.658 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -22.130 -10.030 3.112 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -23.494 -11.963 2.872 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -23.319 -11.732 4.601 1.00 0.00 H new ATOM 0 HE ARG A 106 -25.657 -10.341 3.891 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -24.424 -13.644 3.742 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -26.026 -14.373 3.891 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -27.714 -11.284 4.082 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -27.881 -13.042 4.083 1.00 0.00 H new ATOM 1587 N VAL A 107 -20.581 -9.646 6.274 1.00 0.00 N ATOM 1588 CA VAL A 107 -19.448 -10.510 6.582 1.00 0.00 C ATOM 1589 C VAL A 107 -19.916 -11.874 7.077 1.00 0.00 C ATOM 1590 O VAL A 107 -20.918 -11.978 7.784 1.00 0.00 O ATOM 1591 CB VAL A 107 -18.532 -9.877 7.646 1.00 0.00 C ATOM 1592 CG1 VAL A 107 -17.391 -10.819 7.998 1.00 0.00 C ATOM 1593 CG2 VAL A 107 -17.998 -8.538 7.160 1.00 0.00 C ATOM 0 H VAL A 107 -21.239 -9.523 7.044 1.00 0.00 H new ATOM 0 HA VAL A 107 -18.885 -10.635 5.657 1.00 0.00 H new ATOM 0 HB VAL A 107 -19.119 -9.703 8.548 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -16.755 -10.354 8.751 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -17.797 -11.751 8.391 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -16.803 -11.028 7.104 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -17.353 -8.105 7.924 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -17.427 -8.685 6.243 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -18.831 -7.863 6.964 1.00 0.00 H new ATOM 1603 N GLU A 108 -19.183 -12.917 6.700 1.00 0.00 N ATOM 1604 CA GLU A 108 -19.524 -14.276 7.106 1.00 0.00 C ATOM 1605 C GLU A 108 -18.265 -15.087 7.404 1.00 0.00 C ATOM 1606 O GLU A 108 -17.678 -15.690 6.507 1.00 0.00 O ATOM 1607 CB GLU A 108 -20.343 -14.968 6.015 1.00 0.00 C ATOM 1608 CG GLU A 108 -21.715 -14.350 5.800 1.00 0.00 C ATOM 1609 CD GLU A 108 -22.760 -14.908 6.747 1.00 0.00 C ATOM 1610 OE1 GLU A 108 -22.575 -16.044 7.231 1.00 0.00 O ATOM 1611 OE2 GLU A 108 -23.762 -14.209 7.003 1.00 0.00 O ATOM 0 H GLU A 108 -18.350 -12.847 6.115 1.00 0.00 H new ATOM 0 HA GLU A 108 -20.121 -14.217 8.016 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -19.787 -14.933 5.078 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -20.464 -16.020 6.275 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -21.648 -13.270 5.934 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -22.031 -14.525 4.772 1.00 0.00 H new TER 1618 GLU A 108