USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 950 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 1 MET CE :methyl -139:sc= 0 (180deg=-0.029) USER MOD Set 1.2: A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 103 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 8 SER OG : rot 180:sc= 1.01 USER MOD Set 2.2: A 18 SER OG : rot 63:sc= 1.19 USER MOD Single : A 1 MET N :NH3+ -131:sc= 0.828 (180deg=-0.478) USER MOD Single : A 10 ASN : amide:sc= -0.0678 X(o=-0.068,f=-0.087) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 130:sc= 1.04 USER MOD Single : A 20 HIS : no HD1:sc= -0.704 X(o=-0.7,f=-0.86) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.326 X(o=-0.33,f=-0.21) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.0092) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0.698 K(o=0.7,f=-4.6!) USER MOD Single : A 49 GLN : amide:sc= -0.325 X(o=-0.33,f=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.531 X(o=-0.53,f=-0.054) USER MOD Single : A 53 HIS : no HD1:sc= -0.521 X(o=-0.52,f=-0.43) USER MOD Single : A 58 ASN : amide:sc= -0.0282 K(o=-0.028,f=-1.5!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.11) USER MOD Single : A 84 MET CE :methyl -169:sc= -1.49 (180deg=-1.85) USER MOD Single : A 90 LYS NZ :NH3+ -113:sc= 1.37 (180deg=-1.9!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.00737 USER MOD Single : A 101 ASN : amide:sc= -0.0786 X(o=-0.079,f=0) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.286 K(o=-0.29,f=-3.1!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0.0572 USER MOD Single : A 113 TYR OH : rot 30:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 119 HIS : no HD1:sc= -0.0525 X(o=-0.053,f=-0.043) USER MOD Single : A 120 HIS : no HD1:sc= -0.097 K(o=-0.097,f=-1.2) USER MOD Single : A 121 HIS : no HD1:sc= -0.185 X(o=-0.19,f=0) USER MOD Single : A 123 HIS : no HD1:sc=-0.00408 X(o=-0.0041,f=-0.042) USER MOD Single : A 124 HIS : no HD1:sc= -0.312 X(o=-0.31,f=-0.025) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.774 -9.445 -4.055 1.00 0.00 N ATOM 2 CA MET A 1 -3.800 -8.088 -3.502 1.00 0.00 C ATOM 3 C MET A 1 -2.498 -7.772 -2.790 1.00 0.00 C ATOM 4 O MET A 1 -1.925 -8.609 -2.090 1.00 0.00 O ATOM 5 CB MET A 1 -5.066 -7.855 -2.670 1.00 0.00 C ATOM 6 CG MET A 1 -5.146 -6.434 -2.099 1.00 0.00 C ATOM 7 SD MET A 1 -6.690 -6.049 -1.227 1.00 0.00 S ATOM 8 CE MET A 1 -7.814 -5.841 -2.637 1.00 0.00 C ATOM 0 H1 MET A 1 -4.081 -9.421 -5.048 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.807 -9.824 -4.000 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.416 -10.055 -3.509 1.00 0.00 H new ATOM 0 HA MET A 1 -3.864 -7.364 -4.314 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.943 -8.043 -3.290 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.095 -8.573 -1.851 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.312 -6.286 -1.414 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.019 -5.722 -2.915 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.472 -4.991 -2.455 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.233 -5.663 -3.542 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.412 -6.744 -2.762 1.00 0.00 H new ATOM 18 N ILE A 2 -2.024 -6.544 -2.988 1.00 0.00 N ATOM 19 CA ILE A 2 -0.883 -5.938 -2.317 1.00 0.00 C ATOM 20 C ILE A 2 -1.399 -4.566 -1.869 1.00 0.00 C ATOM 21 O ILE A 2 -2.219 -3.986 -2.585 1.00 0.00 O ATOM 22 CB ILE A 2 0.340 -5.821 -3.262 1.00 0.00 C ATOM 23 CG1 ILE A 2 0.511 -7.059 -4.169 1.00 0.00 C ATOM 24 CG2 ILE A 2 1.633 -5.577 -2.473 1.00 0.00 C ATOM 25 CD1 ILE A 2 1.795 -7.083 -4.997 1.00 0.00 C ATOM 0 H ILE A 2 -2.454 -5.910 -3.662 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.526 -6.535 -1.478 1.00 0.00 H new ATOM 0 HB ILE A 2 0.143 -4.962 -3.904 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.482 -7.953 -3.546 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.341 -7.114 -4.847 1.00 0.00 H new ATOM 0 HG21 ILE A 2 2.472 -5.500 -3.164 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.544 -4.651 -1.906 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.803 -6.407 -1.788 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.822 -7.991 -5.600 1.00 0.00 H new ATOM 0 HD12 ILE A 2 1.822 -6.212 -5.651 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.658 -7.064 -4.331 1.00 0.00 H new ATOM 37 N ILE A 3 -0.976 -4.084 -0.702 1.00 0.00 N ATOM 38 CA ILE A 3 -1.522 -2.955 0.039 1.00 0.00 C ATOM 39 C ILE A 3 -0.354 -2.038 0.369 1.00 0.00 C ATOM 40 O ILE A 3 0.423 -2.351 1.264 1.00 0.00 O ATOM 41 CB ILE A 3 -2.254 -3.445 1.310 1.00 0.00 C ATOM 42 CG1 ILE A 3 -3.518 -4.240 0.935 1.00 0.00 C ATOM 43 CG2 ILE A 3 -2.637 -2.250 2.200 1.00 0.00 C ATOM 44 CD1 ILE A 3 -3.946 -5.210 2.033 1.00 0.00 C ATOM 0 H ILE A 3 -0.184 -4.505 -0.216 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.263 -2.413 -0.548 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.578 -4.099 1.862 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.333 -3.545 0.731 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -3.334 -4.795 0.015 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.152 -2.610 3.091 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.736 -1.712 2.494 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.295 -1.580 1.647 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.842 -5.745 1.717 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.144 -5.924 2.220 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.158 -4.655 2.947 1.00 0.00 H new ATOM 56 N ALA A 4 -0.190 -0.961 -0.396 1.00 0.00 N ATOM 57 CA ALA A 4 0.915 -0.012 -0.207 1.00 0.00 C ATOM 58 C ALA A 4 0.592 0.975 0.903 1.00 0.00 C ATOM 59 O ALA A 4 -0.434 1.665 0.821 1.00 0.00 O ATOM 60 CB ALA A 4 1.221 0.765 -1.492 1.00 0.00 C ATOM 0 H ALA A 4 -0.816 -0.718 -1.164 1.00 0.00 H new ATOM 0 HA ALA A 4 1.793 -0.598 0.065 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.044 1.457 -1.312 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.500 0.067 -2.282 1.00 0.00 H new ATOM 0 HB3 ALA A 4 0.337 1.325 -1.798 1.00 0.00 H new ATOM 66 N ILE A 5 1.484 1.111 1.881 1.00 0.00 N ATOM 67 CA ILE A 5 1.336 2.019 3.009 1.00 0.00 C ATOM 68 C ILE A 5 2.637 2.819 3.120 1.00 0.00 C ATOM 69 O ILE A 5 3.697 2.226 3.335 1.00 0.00 O ATOM 70 CB ILE A 5 0.943 1.260 4.297 1.00 0.00 C ATOM 71 CG1 ILE A 5 -0.457 0.653 4.079 1.00 0.00 C ATOM 72 CG2 ILE A 5 0.887 2.252 5.475 1.00 0.00 C ATOM 73 CD1 ILE A 5 -0.961 -0.315 5.140 1.00 0.00 C ATOM 0 H ILE A 5 2.352 0.577 1.909 1.00 0.00 H new ATOM 0 HA ILE A 5 0.514 2.718 2.855 1.00 0.00 H new ATOM 0 HB ILE A 5 1.671 0.479 4.519 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.173 1.471 3.999 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.457 0.135 3.120 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.610 1.720 6.385 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.865 2.714 5.608 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.146 3.024 5.266 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.955 -0.668 4.867 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -0.281 -1.164 5.211 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.008 0.193 6.103 1.00 0.00 H new ATOM 85 N PRO A 6 2.594 4.153 2.944 1.00 0.00 N ATOM 86 CA PRO A 6 3.763 4.988 3.091 1.00 0.00 C ATOM 87 C PRO A 6 4.039 5.140 4.575 1.00 0.00 C ATOM 88 O PRO A 6 3.159 5.576 5.321 1.00 0.00 O ATOM 89 CB PRO A 6 3.396 6.325 2.456 1.00 0.00 C ATOM 90 CG PRO A 6 1.879 6.415 2.571 1.00 0.00 C ATOM 91 CD PRO A 6 1.406 4.979 2.815 1.00 0.00 C ATOM 0 HA PRO A 6 4.655 4.578 2.618 1.00 0.00 H new ATOM 0 HB2 PRO A 6 3.881 7.153 2.973 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.716 6.368 1.415 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.585 7.071 3.391 1.00 0.00 H new ATOM 0 HG3 PRO A 6 1.439 6.825 1.662 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.798 4.922 3.718 1.00 0.00 H new ATOM 0 HD3 PRO A 6 0.784 4.633 1.989 1.00 0.00 H new ATOM 99 N VAL A 7 5.256 4.846 5.000 1.00 0.00 N ATOM 100 CA VAL A 7 5.626 4.901 6.402 1.00 0.00 C ATOM 101 C VAL A 7 6.871 5.750 6.562 1.00 0.00 C ATOM 102 O VAL A 7 7.715 5.817 5.665 1.00 0.00 O ATOM 103 CB VAL A 7 5.808 3.491 6.983 1.00 0.00 C ATOM 104 CG1 VAL A 7 4.478 2.818 7.283 1.00 0.00 C ATOM 105 CG2 VAL A 7 6.599 2.565 6.058 1.00 0.00 C ATOM 0 H VAL A 7 6.015 4.562 4.381 1.00 0.00 H new ATOM 0 HA VAL A 7 4.820 5.367 6.969 1.00 0.00 H new ATOM 0 HB VAL A 7 6.367 3.644 7.906 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.657 1.824 7.692 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.924 3.414 8.008 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.898 2.733 6.364 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.695 1.583 6.522 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.076 2.467 5.107 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.591 2.984 5.885 1.00 0.00 H new ATOM 115 N SER A 8 6.959 6.426 7.704 1.00 0.00 N ATOM 116 CA SER A 8 8.066 7.320 8.003 1.00 0.00 C ATOM 117 C SER A 8 9.344 6.564 8.391 1.00 0.00 C ATOM 118 O SER A 8 10.440 7.114 8.282 1.00 0.00 O ATOM 119 CB SER A 8 7.641 8.258 9.127 1.00 0.00 C ATOM 120 OG SER A 8 6.417 8.892 8.783 1.00 0.00 O ATOM 0 H SER A 8 6.263 6.367 8.447 1.00 0.00 H new ATOM 0 HA SER A 8 8.304 7.885 7.102 1.00 0.00 H new ATOM 0 HB2 SER A 8 7.524 7.699 10.056 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.414 9.007 9.301 1.00 0.00 H new ATOM 0 HG SER A 8 6.145 9.493 9.508 1.00 0.00 H new ATOM 126 N GLU A 9 9.225 5.316 8.845 1.00 0.00 N ATOM 127 CA GLU A 9 10.316 4.506 9.374 1.00 0.00 C ATOM 128 C GLU A 9 10.098 3.058 8.917 1.00 0.00 C ATOM 129 O GLU A 9 9.053 2.738 8.346 1.00 0.00 O ATOM 130 CB GLU A 9 10.351 4.613 10.912 1.00 0.00 C ATOM 131 CG GLU A 9 10.645 6.027 11.449 1.00 0.00 C ATOM 132 CD GLU A 9 10.323 6.158 12.938 1.00 0.00 C ATOM 133 OE1 GLU A 9 10.576 5.205 13.711 1.00 0.00 O ATOM 134 OE2 GLU A 9 9.722 7.183 13.342 1.00 0.00 O ATOM 0 H GLU A 9 8.331 4.825 8.853 1.00 0.00 H new ATOM 0 HA GLU A 9 11.277 4.860 9.001 1.00 0.00 H new ATOM 0 HB2 GLU A 9 9.392 4.280 11.308 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.109 3.929 11.294 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.696 6.265 11.284 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.061 6.756 10.887 1.00 0.00 H new ATOM 141 N ASN A 10 11.079 2.184 9.155 1.00 0.00 N ATOM 142 CA ASN A 10 11.209 0.859 8.552 1.00 0.00 C ATOM 143 C ASN A 10 11.055 -0.274 9.548 1.00 0.00 C ATOM 144 O ASN A 10 11.737 -1.292 9.467 1.00 0.00 O ATOM 145 CB ASN A 10 12.510 0.790 7.750 1.00 0.00 C ATOM 146 CG ASN A 10 13.746 0.803 8.635 1.00 0.00 C ATOM 147 OD1 ASN A 10 14.152 1.846 9.143 1.00 0.00 O ATOM 148 ND2 ASN A 10 14.382 -0.329 8.827 1.00 0.00 N ATOM 0 H ASN A 10 11.838 2.392 9.803 1.00 0.00 H new ATOM 0 HA ASN A 10 10.376 0.715 7.864 1.00 0.00 H new ATOM 0 HB2 ASN A 10 12.511 -0.116 7.145 1.00 0.00 H new ATOM 0 HB3 ASN A 10 12.553 1.634 7.061 1.00 0.00 H new ATOM 0 HD21 ASN A 10 15.223 -0.350 9.403 1.00 0.00 H new ATOM 0 HD22 ASN A 10 14.035 -1.188 8.400 1.00 0.00 H new ATOM 155 N ARG A 11 10.108 -0.129 10.469 1.00 0.00 N ATOM 156 CA ARG A 11 9.927 -1.058 11.569 1.00 0.00 C ATOM 157 C ARG A 11 9.039 -2.237 11.153 1.00 0.00 C ATOM 158 O ARG A 11 8.267 -2.742 11.965 1.00 0.00 O ATOM 159 CB ARG A 11 9.349 -0.282 12.762 1.00 0.00 C ATOM 160 CG ARG A 11 10.037 1.063 13.067 1.00 0.00 C ATOM 161 CD ARG A 11 9.862 1.412 14.546 1.00 0.00 C ATOM 162 NE ARG A 11 10.491 2.697 14.879 1.00 0.00 N ATOM 163 CZ ARG A 11 10.851 3.121 16.092 1.00 0.00 C ATOM 164 NH1 ARG A 11 10.731 2.333 17.157 1.00 0.00 N ATOM 165 NH2 ARG A 11 11.324 4.354 16.198 1.00 0.00 N ATOM 0 H ARG A 11 9.442 0.643 10.469 1.00 0.00 H new ATOM 0 HA ARG A 11 10.884 -1.492 11.860 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.291 -0.096 12.576 1.00 0.00 H new ATOM 0 HB3 ARG A 11 9.411 -0.913 13.649 1.00 0.00 H new ATOM 0 HG2 ARG A 11 11.097 1.003 12.821 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.609 1.850 12.445 1.00 0.00 H new ATOM 0 HD2 ARG A 11 8.800 1.454 14.787 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.298 0.624 15.160 1.00 0.00 H new ATOM 0 HE ARG A 11 10.672 3.332 14.101 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.359 1.389 17.054 1.00 0.00 H new ATOM 0 HH12 ARG A 11 11.011 2.673 18.077 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.402 4.943 15.369 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.610 4.714 17.109 1.00 0.00 H new ATOM 179 N GLY A 12 9.188 -2.744 9.928 1.00 0.00 N ATOM 180 CA GLY A 12 8.336 -3.740 9.279 1.00 0.00 C ATOM 181 C GLY A 12 6.837 -3.499 9.489 1.00 0.00 C ATOM 182 O GLY A 12 6.234 -2.736 8.730 1.00 0.00 O ATOM 0 H GLY A 12 9.956 -2.451 9.325 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.548 -3.745 8.210 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.593 -4.729 9.660 1.00 0.00 H new ATOM 186 N LYS A 13 6.217 -4.152 10.480 1.00 0.00 N ATOM 187 CA LYS A 13 4.796 -3.964 10.791 1.00 0.00 C ATOM 188 C LYS A 13 4.548 -2.719 11.638 1.00 0.00 C ATOM 189 O LYS A 13 3.627 -1.963 11.339 1.00 0.00 O ATOM 190 CB LYS A 13 4.160 -5.191 11.459 1.00 0.00 C ATOM 191 CG LYS A 13 4.906 -5.833 12.636 1.00 0.00 C ATOM 192 CD LYS A 13 5.733 -7.062 12.240 1.00 0.00 C ATOM 193 CE LYS A 13 7.244 -6.854 12.412 1.00 0.00 C ATOM 194 NZ LYS A 13 7.958 -8.144 12.502 1.00 0.00 N ATOM 0 H LYS A 13 6.686 -4.824 11.087 1.00 0.00 H new ATOM 0 HA LYS A 13 4.310 -3.825 9.825 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.167 -4.906 11.807 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.022 -5.955 10.694 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.566 -5.091 13.086 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.184 -6.122 13.399 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.419 -7.913 12.844 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.523 -7.314 11.200 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.632 -6.279 11.571 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.432 -6.268 13.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.977 -7.970 12.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.604 -8.681 13.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.797 -8.691 11.632 1.00 0.00 H new ATOM 208 N ASP A 14 5.406 -2.469 12.629 1.00 0.00 N ATOM 209 CA ASP A 14 5.316 -1.347 13.566 1.00 0.00 C ATOM 210 C ASP A 14 5.605 -0.011 12.863 1.00 0.00 C ATOM 211 O ASP A 14 5.588 1.042 13.493 1.00 0.00 O ATOM 212 CB ASP A 14 6.321 -1.515 14.725 1.00 0.00 C ATOM 213 CG ASP A 14 6.345 -2.890 15.384 1.00 0.00 C ATOM 214 OD1 ASP A 14 6.940 -3.825 14.802 1.00 0.00 O ATOM 215 OD2 ASP A 14 5.869 -3.029 16.532 1.00 0.00 O ATOM 0 H ASP A 14 6.214 -3.065 12.808 1.00 0.00 H new ATOM 0 HA ASP A 14 4.299 -1.340 13.957 1.00 0.00 H new ATOM 0 HB2 ASP A 14 7.320 -1.294 14.350 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.095 -0.770 15.488 1.00 0.00 H new ATOM 220 N SER A 15 5.951 -0.046 11.574 1.00 0.00 N ATOM 221 CA SER A 15 6.190 1.097 10.710 1.00 0.00 C ATOM 222 C SER A 15 5.029 2.106 10.813 1.00 0.00 C ATOM 223 O SER A 15 3.890 1.751 10.502 1.00 0.00 O ATOM 224 CB SER A 15 6.402 0.598 9.288 1.00 0.00 C ATOM 225 OG SER A 15 7.422 -0.372 9.245 1.00 0.00 O ATOM 0 H SER A 15 6.078 -0.931 11.082 1.00 0.00 H new ATOM 0 HA SER A 15 7.088 1.628 11.025 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.474 0.174 8.905 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.662 1.434 8.639 1.00 0.00 H new ATOM 0 HG SER A 15 7.102 -1.162 8.761 1.00 0.00 H new ATOM 231 N PRO A 16 5.270 3.344 11.274 1.00 0.00 N ATOM 232 CA PRO A 16 4.216 4.338 11.456 1.00 0.00 C ATOM 233 C PRO A 16 3.843 5.012 10.137 1.00 0.00 C ATOM 234 O PRO A 16 4.731 5.408 9.372 1.00 0.00 O ATOM 235 CB PRO A 16 4.813 5.344 12.431 1.00 0.00 C ATOM 236 CG PRO A 16 6.307 5.306 12.114 1.00 0.00 C ATOM 237 CD PRO A 16 6.525 3.823 11.837 1.00 0.00 C ATOM 0 HA PRO A 16 3.293 3.891 11.825 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.397 6.341 12.284 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.615 5.065 13.466 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.559 5.925 11.253 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.912 5.660 12.949 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.351 3.671 11.142 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.775 3.286 12.752 1.00 0.00 H new ATOM 245 N ILE A 17 2.542 5.173 9.876 1.00 0.00 N ATOM 246 CA ILE A 17 2.040 5.755 8.636 1.00 0.00 C ATOM 247 C ILE A 17 2.486 7.220 8.491 1.00 0.00 C ATOM 248 O ILE A 17 2.323 8.039 9.405 1.00 0.00 O ATOM 249 CB ILE A 17 0.514 5.535 8.554 1.00 0.00 C ATOM 250 CG1 ILE A 17 -0.016 5.757 7.123 1.00 0.00 C ATOM 251 CG2 ILE A 17 -0.252 6.373 9.584 1.00 0.00 C ATOM 252 CD1 ILE A 17 -1.264 4.911 6.850 1.00 0.00 C ATOM 0 H ILE A 17 1.806 4.900 10.527 1.00 0.00 H new ATOM 0 HA ILE A 17 2.475 5.250 7.773 1.00 0.00 H new ATOM 0 HB ILE A 17 0.332 4.491 8.808 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.252 6.812 6.980 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.762 5.504 6.402 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.321 6.183 9.486 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.074 6.102 10.588 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.055 7.431 9.412 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.611 5.092 5.833 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.021 3.855 6.968 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.049 5.183 7.555 1.00 0.00 H new ATOM 264 N SER A 18 3.052 7.545 7.331 1.00 0.00 N ATOM 265 CA SER A 18 3.426 8.884 6.904 1.00 0.00 C ATOM 266 C SER A 18 2.233 9.532 6.194 1.00 0.00 C ATOM 267 O SER A 18 1.303 8.854 5.745 1.00 0.00 O ATOM 268 CB SER A 18 4.611 8.786 5.930 1.00 0.00 C ATOM 269 OG SER A 18 5.632 9.705 6.261 1.00 0.00 O ATOM 0 H SER A 18 3.273 6.840 6.628 1.00 0.00 H new ATOM 0 HA SER A 18 3.710 9.487 7.767 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.013 7.773 5.946 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.265 8.976 4.914 1.00 0.00 H new ATOM 0 HG SER A 18 5.992 9.489 7.147 1.00 0.00 H new ATOM 275 N GLU A 19 2.269 10.853 6.018 1.00 0.00 N ATOM 276 CA GLU A 19 1.179 11.574 5.421 1.00 0.00 C ATOM 277 C GLU A 19 1.283 11.535 3.896 1.00 0.00 C ATOM 278 O GLU A 19 0.313 11.256 3.179 1.00 0.00 O ATOM 279 CB GLU A 19 1.201 13.019 5.943 1.00 0.00 C ATOM 280 CG GLU A 19 -0.065 13.750 5.498 1.00 0.00 C ATOM 281 CD GLU A 19 0.002 15.279 5.576 1.00 0.00 C ATOM 282 OE1 GLU A 19 0.711 15.844 6.446 1.00 0.00 O ATOM 283 OE2 GLU A 19 -0.639 15.931 4.715 1.00 0.00 O ATOM 0 H GLU A 19 3.059 11.439 6.289 1.00 0.00 H new ATOM 0 HA GLU A 19 0.232 11.109 5.694 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.270 13.021 7.031 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.083 13.538 5.567 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.288 13.464 4.470 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.898 13.407 6.112 1.00 0.00 H new ATOM 290 N HIS A 20 2.445 11.928 3.383 1.00 0.00 N ATOM 291 CA HIS A 20 2.609 12.322 1.998 1.00 0.00 C ATOM 292 C HIS A 20 3.144 11.119 1.254 1.00 0.00 C ATOM 293 O HIS A 20 4.348 10.956 1.206 1.00 0.00 O ATOM 294 CB HIS A 20 3.575 13.521 1.914 1.00 0.00 C ATOM 295 CG HIS A 20 3.064 14.757 2.615 1.00 0.00 C ATOM 296 ND1 HIS A 20 2.093 15.632 2.157 1.00 0.00 N ATOM 297 CD2 HIS A 20 3.408 15.141 3.881 1.00 0.00 C ATOM 298 CE1 HIS A 20 1.856 16.518 3.141 1.00 0.00 C ATOM 299 NE2 HIS A 20 2.656 16.252 4.188 1.00 0.00 N ATOM 0 H HIS A 20 3.306 11.981 3.928 1.00 0.00 H new ATOM 0 HA HIS A 20 1.665 12.637 1.553 1.00 0.00 H new ATOM 0 HB2 HIS A 20 4.533 13.236 2.349 1.00 0.00 H new ATOM 0 HB3 HIS A 20 3.758 13.757 0.866 1.00 0.00 H new ATOM 0 HD2 HIS A 20 4.134 14.662 4.521 1.00 0.00 H new ATOM 0 HE1 HIS A 20 1.134 17.320 3.097 1.00 0.00 H new ATOM 0 HE2 HIS A 20 2.698 16.782 5.059 1.00 0.00 H new ATOM 308 N PHE A 21 2.279 10.320 0.626 1.00 0.00 N ATOM 309 CA PHE A 21 2.698 9.202 -0.222 1.00 0.00 C ATOM 310 C PHE A 21 3.875 9.590 -1.126 1.00 0.00 C ATOM 311 O PHE A 21 4.910 8.937 -1.113 1.00 0.00 O ATOM 312 CB PHE A 21 1.508 8.713 -1.058 1.00 0.00 C ATOM 313 CG PHE A 21 1.932 7.772 -2.168 1.00 0.00 C ATOM 314 CD1 PHE A 21 2.270 6.441 -1.871 1.00 0.00 C ATOM 315 CD2 PHE A 21 2.109 8.262 -3.476 1.00 0.00 C ATOM 316 CE1 PHE A 21 2.788 5.608 -2.875 1.00 0.00 C ATOM 317 CE2 PHE A 21 2.618 7.427 -4.487 1.00 0.00 C ATOM 318 CZ PHE A 21 2.980 6.109 -4.173 1.00 0.00 C ATOM 0 H PHE A 21 1.267 10.430 0.691 1.00 0.00 H new ATOM 0 HA PHE A 21 3.040 8.392 0.422 1.00 0.00 H new ATOM 0 HB2 PHE A 21 0.794 8.206 -0.408 1.00 0.00 H new ATOM 0 HB3 PHE A 21 0.993 9.571 -1.489 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.131 6.059 -0.870 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.852 9.286 -3.705 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.039 4.582 -2.649 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.729 7.797 -5.495 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.409 5.475 -4.935 1.00 0.00 H new ATOM 328 N GLY A 22 3.755 10.688 -1.877 1.00 0.00 N ATOM 329 CA GLY A 22 4.790 11.092 -2.818 1.00 0.00 C ATOM 330 C GLY A 22 5.985 11.806 -2.182 1.00 0.00 C ATOM 331 O GLY A 22 6.777 12.393 -2.907 1.00 0.00 O ATOM 0 H GLY A 22 2.948 11.311 -1.848 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.150 10.208 -3.344 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.346 11.749 -3.566 1.00 0.00 H new ATOM 335 N ARG A 23 6.088 11.822 -0.854 1.00 0.00 N ATOM 336 CA ARG A 23 7.254 12.221 -0.076 1.00 0.00 C ATOM 337 C ARG A 23 7.191 11.373 1.200 1.00 0.00 C ATOM 338 O ARG A 23 7.047 11.889 2.311 1.00 0.00 O ATOM 339 CB ARG A 23 7.232 13.749 0.171 1.00 0.00 C ATOM 340 CG ARG A 23 8.509 14.328 0.810 1.00 0.00 C ATOM 341 CD ARG A 23 9.746 14.018 -0.043 1.00 0.00 C ATOM 342 NE ARG A 23 10.979 14.747 0.319 1.00 0.00 N ATOM 343 CZ ARG A 23 12.037 14.188 0.925 1.00 0.00 C ATOM 344 NH1 ARG A 23 11.906 13.049 1.574 1.00 0.00 N ATOM 345 NH2 ARG A 23 13.237 14.752 0.871 1.00 0.00 N ATOM 0 H ARG A 23 5.310 11.539 -0.258 1.00 0.00 H new ATOM 0 HA ARG A 23 8.202 12.043 -0.584 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.061 14.252 -0.780 1.00 0.00 H new ATOM 0 HB3 ARG A 23 6.384 13.985 0.814 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.404 15.407 0.925 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.639 13.912 1.809 1.00 0.00 H new ATOM 0 HD2 ARG A 23 9.948 12.949 0.019 1.00 0.00 H new ATOM 0 HD3 ARG A 23 9.510 14.238 -1.084 1.00 0.00 H new ATOM 0 HE ARG A 23 11.029 15.740 0.093 1.00 0.00 H new ATOM 0 HH11 ARG A 23 10.997 12.588 1.617 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.714 12.628 2.033 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.367 15.626 0.362 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.029 14.311 1.339 1.00 0.00 H new ATOM 359 N ALA A 24 7.145 10.054 1.013 1.00 0.00 N ATOM 360 CA ALA A 24 7.224 9.058 2.064 1.00 0.00 C ATOM 361 C ALA A 24 8.597 8.408 1.914 1.00 0.00 C ATOM 362 O ALA A 24 9.003 8.169 0.776 1.00 0.00 O ATOM 363 CB ALA A 24 6.149 8.001 1.851 1.00 0.00 C ATOM 0 H ALA A 24 7.048 9.641 0.085 1.00 0.00 H new ATOM 0 HA ALA A 24 7.082 9.501 3.050 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.211 7.254 2.642 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.166 8.472 1.873 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.299 7.519 0.885 1.00 0.00 H new ATOM 369 N PRO A 25 9.335 8.144 2.996 1.00 0.00 N ATOM 370 CA PRO A 25 10.669 7.565 2.897 1.00 0.00 C ATOM 371 C PRO A 25 10.658 6.070 2.532 1.00 0.00 C ATOM 372 O PRO A 25 11.670 5.563 2.045 1.00 0.00 O ATOM 373 CB PRO A 25 11.318 7.846 4.253 1.00 0.00 C ATOM 374 CG PRO A 25 10.155 8.050 5.216 1.00 0.00 C ATOM 375 CD PRO A 25 8.998 8.524 4.353 1.00 0.00 C ATOM 0 HA PRO A 25 11.236 8.010 2.080 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.949 7.015 4.568 1.00 0.00 H new ATOM 0 HB3 PRO A 25 11.954 8.730 4.210 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.906 7.124 5.734 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.402 8.786 5.981 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.062 8.063 4.667 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.865 9.603 4.435 1.00 0.00 H new ATOM 383 N TYR A 26 9.553 5.350 2.735 1.00 0.00 N ATOM 384 CA TYR A 26 9.451 3.921 2.457 1.00 0.00 C ATOM 385 C TYR A 26 8.014 3.577 2.067 1.00 0.00 C ATOM 386 O TYR A 26 7.100 4.357 2.359 1.00 0.00 O ATOM 387 CB TYR A 26 9.782 3.132 3.723 1.00 0.00 C ATOM 388 CG TYR A 26 11.097 3.389 4.436 1.00 0.00 C ATOM 389 CD1 TYR A 26 11.182 4.403 5.409 1.00 0.00 C ATOM 390 CD2 TYR A 26 12.196 2.539 4.226 1.00 0.00 C ATOM 391 CE1 TYR A 26 12.387 4.641 6.091 1.00 0.00 C ATOM 392 CE2 TYR A 26 13.409 2.775 4.894 1.00 0.00 C ATOM 393 CZ TYR A 26 13.518 3.842 5.813 1.00 0.00 C ATOM 394 OH TYR A 26 14.678 4.064 6.488 1.00 0.00 O ATOM 0 H TYR A 26 8.691 5.753 3.103 1.00 0.00 H new ATOM 0 HA TYR A 26 10.141 3.670 1.651 1.00 0.00 H new ATOM 0 HB2 TYR A 26 8.980 3.311 4.440 1.00 0.00 H new ATOM 0 HB3 TYR A 26 9.750 2.073 3.467 1.00 0.00 H new ATOM 0 HD1 TYR A 26 10.313 5.003 5.633 1.00 0.00 H new ATOM 0 HD2 TYR A 26 12.108 1.702 3.549 1.00 0.00 H new ATOM 0 HE1 TYR A 26 12.448 5.431 6.825 1.00 0.00 H new ATOM 0 HE2 TYR A 26 14.261 2.139 4.704 1.00 0.00 H new ATOM 0 HH TYR A 26 15.361 3.431 6.183 1.00 0.00 H new ATOM 404 N PHE A 27 7.807 2.391 1.489 1.00 0.00 N ATOM 405 CA PHE A 27 6.506 1.854 1.106 1.00 0.00 C ATOM 406 C PHE A 27 6.402 0.415 1.614 1.00 0.00 C ATOM 407 O PHE A 27 7.023 -0.497 1.059 1.00 0.00 O ATOM 408 CB PHE A 27 6.329 1.929 -0.421 1.00 0.00 C ATOM 409 CG PHE A 27 6.302 3.337 -1.006 1.00 0.00 C ATOM 410 CD1 PHE A 27 5.570 4.364 -0.376 1.00 0.00 C ATOM 411 CD2 PHE A 27 6.972 3.624 -2.211 1.00 0.00 C ATOM 412 CE1 PHE A 27 5.452 5.627 -0.966 1.00 0.00 C ATOM 413 CE2 PHE A 27 6.863 4.895 -2.804 1.00 0.00 C ATOM 414 CZ PHE A 27 6.091 5.893 -2.184 1.00 0.00 C ATOM 0 H PHE A 27 8.574 1.756 1.268 1.00 0.00 H new ATOM 0 HA PHE A 27 5.707 2.445 1.554 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.140 1.373 -0.892 1.00 0.00 H new ATOM 0 HB3 PHE A 27 5.400 1.425 -0.688 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.094 4.173 0.575 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.574 2.862 -2.684 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.869 6.397 -0.483 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.371 5.104 -3.734 1.00 0.00 H new ATOM 0 HZ PHE A 27 5.991 6.864 -2.646 1.00 0.00 H new ATOM 424 N ALA A 28 5.602 0.206 2.658 1.00 0.00 N ATOM 425 CA ALA A 28 5.216 -1.102 3.154 1.00 0.00 C ATOM 426 C ALA A 28 4.090 -1.609 2.237 1.00 0.00 C ATOM 427 O ALA A 28 2.920 -1.321 2.467 1.00 0.00 O ATOM 428 CB ALA A 28 4.725 -0.946 4.601 1.00 0.00 C ATOM 0 H ALA A 28 5.194 0.971 3.195 1.00 0.00 H new ATOM 0 HA ALA A 28 6.044 -1.811 3.150 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.430 -1.920 4.992 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.527 -0.536 5.215 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.869 -0.271 4.624 1.00 0.00 H new ATOM 434 N PHE A 29 4.433 -2.295 1.152 1.00 0.00 N ATOM 435 CA PHE A 29 3.519 -3.072 0.327 1.00 0.00 C ATOM 436 C PHE A 29 3.287 -4.425 1.009 1.00 0.00 C ATOM 437 O PHE A 29 4.015 -5.389 0.777 1.00 0.00 O ATOM 438 CB PHE A 29 4.103 -3.211 -1.096 1.00 0.00 C ATOM 439 CG PHE A 29 3.496 -2.322 -2.177 1.00 0.00 C ATOM 440 CD1 PHE A 29 2.100 -2.260 -2.372 1.00 0.00 C ATOM 441 CD2 PHE A 29 4.331 -1.604 -3.054 1.00 0.00 C ATOM 442 CE1 PHE A 29 1.545 -1.458 -3.379 1.00 0.00 C ATOM 443 CE2 PHE A 29 3.771 -0.870 -4.119 1.00 0.00 C ATOM 444 CZ PHE A 29 2.379 -0.760 -4.263 1.00 0.00 C ATOM 0 H PHE A 29 5.394 -2.325 0.811 1.00 0.00 H new ATOM 0 HA PHE A 29 2.554 -2.576 0.225 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.172 -3.004 -1.046 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.993 -4.249 -1.409 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.448 -2.840 -1.735 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.401 -1.616 -2.911 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.472 -1.378 -3.474 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.421 -0.386 -4.833 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.956 -0.146 -5.044 1.00 0.00 H new ATOM 454 N VAL A 30 2.255 -4.520 1.840 1.00 0.00 N ATOM 455 CA VAL A 30 1.887 -5.782 2.475 1.00 0.00 C ATOM 456 C VAL A 30 1.112 -6.603 1.445 1.00 0.00 C ATOM 457 O VAL A 30 0.540 -6.036 0.515 1.00 0.00 O ATOM 458 CB VAL A 30 1.009 -5.520 3.713 1.00 0.00 C ATOM 459 CG1 VAL A 30 1.023 -6.761 4.617 1.00 0.00 C ATOM 460 CG2 VAL A 30 1.402 -4.307 4.571 1.00 0.00 C ATOM 0 H VAL A 30 1.655 -3.734 2.091 1.00 0.00 H new ATOM 0 HA VAL A 30 2.777 -6.318 2.804 1.00 0.00 H new ATOM 0 HB VAL A 30 0.022 -5.297 3.307 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.402 -6.579 5.494 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.631 -7.616 4.067 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.045 -6.970 4.933 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.716 -4.220 5.414 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.418 -4.438 4.943 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.351 -3.402 3.966 1.00 0.00 H new ATOM 470 N LYS A 31 1.083 -7.930 1.559 1.00 0.00 N ATOM 471 CA LYS A 31 0.370 -8.785 0.607 1.00 0.00 C ATOM 472 C LYS A 31 -0.983 -9.182 1.201 1.00 0.00 C ATOM 473 O LYS A 31 -1.408 -8.593 2.195 1.00 0.00 O ATOM 474 CB LYS A 31 1.324 -9.919 0.184 1.00 0.00 C ATOM 475 CG LYS A 31 2.504 -9.282 -0.574 1.00 0.00 C ATOM 476 CD LYS A 31 3.254 -10.200 -1.541 1.00 0.00 C ATOM 477 CE LYS A 31 4.340 -9.334 -2.197 1.00 0.00 C ATOM 478 NZ LYS A 31 5.079 -10.019 -3.275 1.00 0.00 N ATOM 0 H LYS A 31 1.549 -8.442 2.308 1.00 0.00 H new ATOM 0 HA LYS A 31 0.100 -8.284 -0.323 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.681 -10.464 1.058 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.806 -10.638 -0.450 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.130 -8.425 -1.134 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.215 -8.899 0.157 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.696 -11.045 -1.012 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.578 -10.611 -2.291 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.878 -8.434 -2.602 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.047 -9.013 -1.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.794 -9.375 -3.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.549 -10.864 -2.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.416 -10.302 -4.025 1.00 0.00 H new ATOM 492 N VAL A 32 -1.706 -10.113 0.571 1.00 0.00 N ATOM 493 CA VAL A 32 -2.917 -10.716 1.123 1.00 0.00 C ATOM 494 C VAL A 32 -2.966 -12.165 0.636 1.00 0.00 C ATOM 495 O VAL A 32 -2.560 -12.459 -0.489 1.00 0.00 O ATOM 496 CB VAL A 32 -4.199 -9.964 0.671 1.00 0.00 C ATOM 497 CG1 VAL A 32 -5.450 -10.408 1.450 1.00 0.00 C ATOM 498 CG2 VAL A 32 -4.120 -8.436 0.773 1.00 0.00 C ATOM 0 H VAL A 32 -1.460 -10.473 -0.351 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.886 -10.660 2.211 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.277 -10.237 -0.381 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.317 -9.851 1.094 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.615 -11.474 1.296 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.305 -10.213 2.513 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.060 -8.000 0.436 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.938 -8.149 1.809 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.306 -8.071 0.147 1.00 0.00 H new ATOM 508 N LYS A 33 -3.503 -13.073 1.446 1.00 0.00 N ATOM 509 CA LYS A 33 -3.849 -14.456 1.136 1.00 0.00 C ATOM 510 C LYS A 33 -5.135 -14.731 1.905 1.00 0.00 C ATOM 511 O LYS A 33 -5.084 -14.705 3.127 1.00 0.00 O ATOM 512 CB LYS A 33 -2.699 -15.372 1.610 1.00 0.00 C ATOM 513 CG LYS A 33 -2.991 -16.870 1.762 1.00 0.00 C ATOM 514 CD LYS A 33 -3.113 -17.623 0.431 1.00 0.00 C ATOM 515 CE LYS A 33 -4.537 -17.571 -0.127 1.00 0.00 C ATOM 516 NZ LYS A 33 -4.640 -18.228 -1.439 1.00 0.00 N ATOM 0 H LYS A 33 -3.725 -12.841 2.414 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.992 -14.637 0.071 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.873 -15.262 0.908 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.350 -15.000 2.573 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.197 -17.326 2.353 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.917 -16.993 2.323 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.423 -17.192 -0.294 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.817 -18.662 0.574 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.219 -18.053 0.574 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.853 -16.532 -0.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.621 -18.170 -1.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.009 -17.753 -2.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.363 -19.226 -1.350 1.00 0.00 H new ATOM 530 N ASN A 34 -6.263 -14.979 1.225 1.00 0.00 N ATOM 531 CA ASN A 34 -7.547 -15.348 1.846 1.00 0.00 C ATOM 532 C ASN A 34 -7.833 -14.477 3.083 1.00 0.00 C ATOM 533 O ASN A 34 -7.964 -14.982 4.198 1.00 0.00 O ATOM 534 CB ASN A 34 -7.578 -16.858 2.194 1.00 0.00 C ATOM 535 CG ASN A 34 -7.887 -17.838 1.066 1.00 0.00 C ATOM 536 OD1 ASN A 34 -8.192 -18.993 1.328 1.00 0.00 O ATOM 537 ND2 ASN A 34 -7.787 -17.476 -0.201 1.00 0.00 N ATOM 0 H ASN A 34 -6.311 -14.928 0.207 1.00 0.00 H new ATOM 0 HA ASN A 34 -8.341 -15.160 1.123 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -6.609 -17.125 2.615 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -8.319 -17.006 2.980 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.963 -18.156 -0.941 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.534 -16.517 -0.439 1.00 0.00 H new ATOM 544 N ASN A 35 -7.927 -13.157 2.884 1.00 0.00 N ATOM 545 CA ASN A 35 -8.234 -12.139 3.901 1.00 0.00 C ATOM 546 C ASN A 35 -7.185 -11.984 5.004 1.00 0.00 C ATOM 547 O ASN A 35 -7.426 -11.241 5.952 1.00 0.00 O ATOM 548 CB ASN A 35 -9.612 -12.396 4.534 1.00 0.00 C ATOM 549 CG ASN A 35 -10.365 -11.103 4.810 1.00 0.00 C ATOM 550 OD1 ASN A 35 -10.688 -10.378 3.875 1.00 0.00 O ATOM 551 ND2 ASN A 35 -10.734 -10.828 6.043 1.00 0.00 N ATOM 0 H ASN A 35 -7.784 -12.747 1.961 1.00 0.00 H new ATOM 0 HA ASN A 35 -8.232 -11.197 3.352 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.204 -13.025 3.869 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.485 -12.947 5.466 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.298 -10.000 6.234 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.456 -11.443 6.808 1.00 0.00 H new ATOM 558 N ALA A 36 -6.047 -12.667 4.895 1.00 0.00 N ATOM 559 CA ALA A 36 -4.946 -12.641 5.840 1.00 0.00 C ATOM 560 C ALA A 36 -3.718 -12.033 5.154 1.00 0.00 C ATOM 561 O ALA A 36 -3.746 -11.806 3.947 1.00 0.00 O ATOM 562 CB ALA A 36 -4.677 -14.073 6.314 1.00 0.00 C ATOM 0 H ALA A 36 -5.864 -13.283 4.103 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.186 -12.029 6.709 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.851 -14.072 7.026 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.570 -14.471 6.795 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.418 -14.697 5.459 1.00 0.00 H new ATOM 568 N ILE A 37 -2.627 -11.800 5.887 1.00 0.00 N ATOM 569 CA ILE A 37 -1.515 -10.945 5.481 1.00 0.00 C ATOM 570 C ILE A 37 -0.752 -11.470 4.269 1.00 0.00 C ATOM 571 O ILE A 37 -0.152 -10.676 3.556 1.00 0.00 O ATOM 572 CB ILE A 37 -0.621 -10.681 6.732 1.00 0.00 C ATOM 573 CG1 ILE A 37 -1.116 -9.462 7.540 1.00 0.00 C ATOM 574 CG2 ILE A 37 0.873 -10.433 6.443 1.00 0.00 C ATOM 575 CD1 ILE A 37 -2.563 -9.528 8.038 1.00 0.00 C ATOM 0 H ILE A 37 -2.491 -12.216 6.809 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.906 -9.992 5.124 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.711 -11.614 7.289 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.462 -9.333 8.402 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.006 -8.572 6.920 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.401 -10.261 7.381 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.296 -11.304 5.943 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.979 -9.559 5.801 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.799 -8.619 8.592 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.237 -9.620 7.186 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.684 -10.392 8.691 1.00 0.00 H new ATOM 587 N ALA A 38 -0.784 -12.772 3.981 1.00 0.00 N ATOM 588 CA ALA A 38 0.241 -13.481 3.218 1.00 0.00 C ATOM 589 C ALA A 38 1.650 -13.194 3.749 1.00 0.00 C ATOM 590 O ALA A 38 2.242 -14.032 4.430 1.00 0.00 O ATOM 591 CB ALA A 38 0.140 -13.149 1.726 1.00 0.00 C ATOM 0 H ALA A 38 -1.547 -13.379 4.282 1.00 0.00 H new ATOM 0 HA ALA A 38 0.059 -14.548 3.345 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.914 -13.689 1.180 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.841 -13.444 1.353 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.275 -12.077 1.582 1.00 0.00 H new ATOM 597 N ASP A 39 2.184 -12.025 3.417 1.00 0.00 N ATOM 598 CA ASP A 39 3.595 -11.667 3.453 1.00 0.00 C ATOM 599 C ASP A 39 3.753 -10.150 3.569 1.00 0.00 C ATOM 600 O ASP A 39 2.778 -9.411 3.425 1.00 0.00 O ATOM 601 CB ASP A 39 4.250 -12.131 2.145 1.00 0.00 C ATOM 602 CG ASP A 39 5.740 -12.380 2.328 1.00 0.00 C ATOM 603 OD1 ASP A 39 6.124 -13.224 3.171 1.00 0.00 O ATOM 604 OD2 ASP A 39 6.540 -11.739 1.621 1.00 0.00 O ATOM 0 H ASP A 39 1.603 -11.251 3.094 1.00 0.00 H new ATOM 0 HA ASP A 39 4.066 -12.143 4.313 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.767 -13.045 1.798 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.098 -11.377 1.373 1.00 0.00 H new ATOM 609 N ILE A 40 4.981 -9.680 3.774 1.00 0.00 N ATOM 610 CA ILE A 40 5.337 -8.290 4.025 1.00 0.00 C ATOM 611 C ILE A 40 6.413 -7.931 2.979 1.00 0.00 C ATOM 612 O ILE A 40 7.286 -8.740 2.649 1.00 0.00 O ATOM 613 CB ILE A 40 5.816 -8.204 5.504 1.00 0.00 C ATOM 614 CG1 ILE A 40 4.686 -8.416 6.558 1.00 0.00 C ATOM 615 CG2 ILE A 40 6.665 -6.969 5.828 1.00 0.00 C ATOM 616 CD1 ILE A 40 4.003 -7.165 7.144 1.00 0.00 C ATOM 0 H ILE A 40 5.796 -10.293 3.769 1.00 0.00 H new ATOM 0 HA ILE A 40 4.521 -7.575 3.918 1.00 0.00 H new ATOM 0 HB ILE A 40 6.484 -9.061 5.592 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.914 -9.035 6.101 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.104 -8.988 7.386 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.954 -6.992 6.879 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.560 -6.969 5.205 1.00 0.00 H new ATOM 0 HG23 ILE A 40 6.086 -6.067 5.630 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.241 -7.469 7.861 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.747 -6.546 7.646 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.538 -6.594 6.340 1.00 0.00 H new ATOM 628 N SER A 41 6.371 -6.721 2.431 1.00 0.00 N ATOM 629 CA SER A 41 7.412 -6.081 1.650 1.00 0.00 C ATOM 630 C SER A 41 7.459 -4.628 2.109 1.00 0.00 C ATOM 631 O SER A 41 6.442 -3.943 2.082 1.00 0.00 O ATOM 632 CB SER A 41 7.068 -6.218 0.165 1.00 0.00 C ATOM 633 OG SER A 41 7.672 -7.385 -0.370 1.00 0.00 O ATOM 0 H SER A 41 5.550 -6.124 2.531 1.00 0.00 H new ATOM 0 HA SER A 41 8.393 -6.535 1.791 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.987 -6.268 0.037 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.413 -5.339 -0.379 1.00 0.00 H new ATOM 0 HG SER A 41 7.445 -7.465 -1.320 1.00 0.00 H new ATOM 639 N VAL A 42 8.603 -4.165 2.608 1.00 0.00 N ATOM 640 CA VAL A 42 8.760 -2.824 3.161 1.00 0.00 C ATOM 641 C VAL A 42 10.087 -2.317 2.625 1.00 0.00 C ATOM 642 O VAL A 42 11.137 -2.420 3.266 1.00 0.00 O ATOM 643 CB VAL A 42 8.661 -2.838 4.698 1.00 0.00 C ATOM 644 CG1 VAL A 42 8.803 -1.450 5.317 1.00 0.00 C ATOM 645 CG2 VAL A 42 7.396 -3.489 5.256 1.00 0.00 C ATOM 0 H VAL A 42 9.458 -4.720 2.639 1.00 0.00 H new ATOM 0 HA VAL A 42 7.961 -2.147 2.858 1.00 0.00 H new ATOM 0 HB VAL A 42 9.508 -3.460 4.985 1.00 0.00 H new ATOM 0 HG11 VAL A 42 8.725 -1.526 6.402 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.774 -1.031 5.052 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.012 -0.801 4.940 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.417 -3.451 6.345 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.520 -2.953 4.891 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.347 -4.528 4.930 1.00 0.00 H new ATOM 655 N GLU A 43 10.035 -1.877 1.376 1.00 0.00 N ATOM 656 CA GLU A 43 11.189 -1.349 0.670 1.00 0.00 C ATOM 657 C GLU A 43 11.305 0.152 0.937 1.00 0.00 C ATOM 658 O GLU A 43 10.314 0.811 1.275 1.00 0.00 O ATOM 659 CB GLU A 43 11.069 -1.645 -0.834 1.00 0.00 C ATOM 660 CG GLU A 43 10.913 -3.144 -1.143 1.00 0.00 C ATOM 661 CD GLU A 43 12.212 -3.934 -0.939 1.00 0.00 C ATOM 662 OE1 GLU A 43 12.553 -4.274 0.220 1.00 0.00 O ATOM 663 OE2 GLU A 43 12.867 -4.290 -1.945 1.00 0.00 O ATOM 0 H GLU A 43 9.180 -1.877 0.820 1.00 0.00 H new ATOM 0 HA GLU A 43 12.096 -1.834 1.031 1.00 0.00 H new ATOM 0 HB2 GLU A 43 10.212 -1.106 -1.237 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.954 -1.265 -1.345 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.135 -3.562 -0.504 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.578 -3.265 -2.173 1.00 0.00 H new ATOM 670 N GLU A 44 12.508 0.697 0.755 1.00 0.00 N ATOM 671 CA GLU A 44 12.709 2.141 0.721 1.00 0.00 C ATOM 672 C GLU A 44 11.978 2.719 -0.502 1.00 0.00 C ATOM 673 O GLU A 44 11.638 1.993 -1.441 1.00 0.00 O ATOM 674 CB GLU A 44 14.214 2.486 0.676 1.00 0.00 C ATOM 675 CG GLU A 44 15.024 1.942 1.878 1.00 0.00 C ATOM 676 CD GLU A 44 15.893 2.985 2.609 1.00 0.00 C ATOM 677 OE1 GLU A 44 15.529 4.182 2.692 1.00 0.00 O ATOM 678 OE2 GLU A 44 16.966 2.637 3.146 1.00 0.00 O ATOM 0 H GLU A 44 13.362 0.154 0.628 1.00 0.00 H new ATOM 0 HA GLU A 44 12.300 2.584 1.629 1.00 0.00 H new ATOM 0 HB2 GLU A 44 14.640 2.088 -0.245 1.00 0.00 H new ATOM 0 HB3 GLU A 44 14.326 3.569 0.637 1.00 0.00 H new ATOM 0 HG2 GLU A 44 14.330 1.504 2.595 1.00 0.00 H new ATOM 0 HG3 GLU A 44 15.669 1.137 1.526 1.00 0.00 H new ATOM 685 N ASN A 45 11.749 4.032 -0.508 1.00 0.00 N ATOM 686 CA ASN A 45 11.160 4.738 -1.636 1.00 0.00 C ATOM 687 C ASN A 45 12.278 5.425 -2.432 1.00 0.00 C ATOM 688 O ASN A 45 12.692 6.516 -2.040 1.00 0.00 O ATOM 689 CB ASN A 45 10.119 5.754 -1.145 1.00 0.00 C ATOM 690 CG ASN A 45 9.634 6.645 -2.282 1.00 0.00 C ATOM 691 OD1 ASN A 45 9.741 6.310 -3.457 1.00 0.00 O ATOM 692 ND2 ASN A 45 9.088 7.805 -1.979 1.00 0.00 N ATOM 0 H ASN A 45 11.971 4.639 0.281 1.00 0.00 H new ATOM 0 HA ASN A 45 10.645 4.032 -2.288 1.00 0.00 H new ATOM 0 HB2 ASN A 45 9.272 5.226 -0.707 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.553 6.370 -0.357 1.00 0.00 H new ATOM 0 HD21 ASN A 45 8.756 8.421 -2.721 1.00 0.00 H new ATOM 0 HD22 ASN A 45 8.997 8.087 -1.003 1.00 0.00 H new ATOM 699 N PRO A 46 12.751 4.858 -3.560 1.00 0.00 N ATOM 700 CA PRO A 46 13.946 5.347 -4.248 1.00 0.00 C ATOM 701 C PRO A 46 13.803 6.745 -4.847 1.00 0.00 C ATOM 702 O PRO A 46 14.804 7.339 -5.244 1.00 0.00 O ATOM 703 CB PRO A 46 14.265 4.318 -5.334 1.00 0.00 C ATOM 704 CG PRO A 46 12.940 3.594 -5.568 1.00 0.00 C ATOM 705 CD PRO A 46 12.278 3.636 -4.194 1.00 0.00 C ATOM 0 HA PRO A 46 14.752 5.452 -3.522 1.00 0.00 H new ATOM 0 HB2 PRO A 46 14.622 4.799 -6.245 1.00 0.00 H new ATOM 0 HB3 PRO A 46 15.044 3.627 -5.011 1.00 0.00 H new ATOM 0 HG2 PRO A 46 12.334 4.095 -6.323 1.00 0.00 H new ATOM 0 HG3 PRO A 46 13.094 2.571 -5.910 1.00 0.00 H new ATOM 0 HD2 PRO A 46 11.192 3.638 -4.284 1.00 0.00 H new ATOM 0 HD3 PRO A 46 12.548 2.760 -3.604 1.00 0.00 H new ATOM 713 N LEU A 47 12.597 7.318 -4.911 1.00 0.00 N ATOM 714 CA LEU A 47 12.434 8.714 -5.320 1.00 0.00 C ATOM 715 C LEU A 47 11.717 9.510 -4.231 1.00 0.00 C ATOM 716 O LEU A 47 10.993 10.465 -4.530 1.00 0.00 O ATOM 717 CB LEU A 47 11.703 8.754 -6.668 1.00 0.00 C ATOM 718 CG LEU A 47 12.529 8.142 -7.819 1.00 0.00 C ATOM 719 CD1 LEU A 47 11.845 6.926 -8.435 1.00 0.00 C ATOM 720 CD2 LEU A 47 12.820 9.195 -8.890 1.00 0.00 C ATOM 0 H LEU A 47 11.725 6.839 -4.686 1.00 0.00 H new ATOM 0 HA LEU A 47 13.407 9.188 -5.452 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.759 8.216 -6.579 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.459 9.788 -6.913 1.00 0.00 H new ATOM 0 HG LEU A 47 13.472 7.800 -7.393 1.00 0.00 H new ATOM 0 HD11 LEU A 47 12.463 6.530 -9.240 1.00 0.00 H new ATOM 0 HD12 LEU A 47 11.708 6.160 -7.672 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.874 7.218 -8.834 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.403 8.745 -9.693 1.00 0.00 H new ATOM 0 HD22 LEU A 47 11.881 9.574 -9.292 1.00 0.00 H new ATOM 0 HD23 LEU A 47 13.384 10.017 -8.449 1.00 0.00 H new ATOM 732 N ALA A 48 12.034 9.226 -2.967 1.00 0.00 N ATOM 733 CA ALA A 48 11.642 10.025 -1.819 1.00 0.00 C ATOM 734 C ALA A 48 12.278 11.405 -1.889 1.00 0.00 C ATOM 735 O ALA A 48 11.618 12.382 -1.564 1.00 0.00 O ATOM 736 CB ALA A 48 12.095 9.321 -0.538 1.00 0.00 C ATOM 0 H ALA A 48 12.587 8.408 -2.713 1.00 0.00 H new ATOM 0 HA ALA A 48 10.558 10.138 -1.820 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.803 9.917 0.327 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.626 8.339 -0.477 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.179 9.205 -0.550 1.00 0.00 H new ATOM 742 N GLN A 49 13.539 11.500 -2.300 1.00 0.00 N ATOM 743 CA GLN A 49 14.358 12.710 -2.178 1.00 0.00 C ATOM 744 C GLN A 49 15.024 13.093 -3.505 1.00 0.00 C ATOM 745 O GLN A 49 15.828 14.023 -3.546 1.00 0.00 O ATOM 746 CB GLN A 49 15.360 12.552 -1.018 1.00 0.00 C ATOM 747 CG GLN A 49 16.308 11.353 -1.197 1.00 0.00 C ATOM 748 CD GLN A 49 17.435 11.240 -0.169 1.00 0.00 C ATOM 749 OE1 GLN A 49 18.270 10.342 -0.280 1.00 0.00 O ATOM 750 NE2 GLN A 49 17.500 12.083 0.851 1.00 0.00 N ATOM 0 H GLN A 49 14.034 10.723 -2.737 1.00 0.00 H new ATOM 0 HA GLN A 49 13.707 13.550 -1.935 1.00 0.00 H new ATOM 0 HB2 GLN A 49 15.950 13.464 -0.929 1.00 0.00 H new ATOM 0 HB3 GLN A 49 14.810 12.436 -0.084 1.00 0.00 H new ATOM 0 HG2 GLN A 49 15.717 10.438 -1.163 1.00 0.00 H new ATOM 0 HG3 GLN A 49 16.752 11.409 -2.191 1.00 0.00 H new ATOM 0 HE21 GLN A 49 16.808 12.827 0.943 1.00 0.00 H new ATOM 0 HE22 GLN A 49 18.242 11.988 1.545 1.00 0.00 H new ATOM 759 N ASP A 50 14.695 12.371 -4.574 1.00 0.00 N ATOM 760 CA ASP A 50 15.163 12.609 -5.930 1.00 0.00 C ATOM 761 C ASP A 50 14.085 13.460 -6.619 1.00 0.00 C ATOM 762 O ASP A 50 14.012 14.655 -6.349 1.00 0.00 O ATOM 763 CB ASP A 50 15.461 11.246 -6.566 1.00 0.00 C ATOM 764 CG ASP A 50 15.973 11.333 -7.994 1.00 0.00 C ATOM 765 OD1 ASP A 50 15.154 11.579 -8.901 1.00 0.00 O ATOM 766 OD2 ASP A 50 17.148 11.005 -8.258 1.00 0.00 O ATOM 0 H ASP A 50 14.067 11.570 -4.512 1.00 0.00 H new ATOM 0 HA ASP A 50 16.095 13.169 -6.008 1.00 0.00 H new ATOM 0 HB2 ASP A 50 16.199 10.725 -5.957 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.553 10.643 -6.552 1.00 0.00 H new ATOM 771 N HIS A 51 13.175 12.905 -7.432 1.00 0.00 N ATOM 772 CA HIS A 51 12.150 13.704 -8.127 1.00 0.00 C ATOM 773 C HIS A 51 10.894 13.985 -7.295 1.00 0.00 C ATOM 774 O HIS A 51 10.066 14.780 -7.749 1.00 0.00 O ATOM 775 CB HIS A 51 11.725 13.028 -9.435 1.00 0.00 C ATOM 776 CG HIS A 51 12.772 12.887 -10.510 1.00 0.00 C ATOM 777 ND1 HIS A 51 12.754 11.918 -11.495 1.00 0.00 N ATOM 778 CD2 HIS A 51 13.954 13.572 -10.599 1.00 0.00 C ATOM 779 CE1 HIS A 51 13.935 11.983 -12.136 1.00 0.00 C ATOM 780 NE2 HIS A 51 14.676 12.981 -11.619 1.00 0.00 N ATOM 0 H HIS A 51 13.126 11.905 -7.626 1.00 0.00 H new ATOM 0 HA HIS A 51 12.631 14.663 -8.320 1.00 0.00 H new ATOM 0 HB2 HIS A 51 11.351 12.033 -9.195 1.00 0.00 H new ATOM 0 HB3 HIS A 51 10.889 13.591 -9.850 1.00 0.00 H new ATOM 0 HD2 HIS A 51 14.262 14.410 -9.991 1.00 0.00 H new ATOM 0 HE1 HIS A 51 14.242 11.334 -12.942 1.00 0.00 H new ATOM 0 HE2 HIS A 51 15.609 13.254 -11.927 1.00 0.00 H new ATOM 789 N VAL A 52 10.708 13.345 -6.135 1.00 0.00 N ATOM 790 CA VAL A 52 9.567 13.528 -5.233 1.00 0.00 C ATOM 791 C VAL A 52 8.214 13.235 -5.924 1.00 0.00 C ATOM 792 O VAL A 52 7.729 12.098 -5.875 1.00 0.00 O ATOM 793 CB VAL A 52 9.685 14.907 -4.536 1.00 0.00 C ATOM 794 CG1 VAL A 52 8.532 15.161 -3.556 1.00 0.00 C ATOM 795 CG2 VAL A 52 11.009 15.049 -3.773 1.00 0.00 C ATOM 0 H VAL A 52 11.376 12.658 -5.786 1.00 0.00 H new ATOM 0 HA VAL A 52 9.593 12.781 -4.439 1.00 0.00 H new ATOM 0 HB VAL A 52 9.644 15.645 -5.337 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.658 16.139 -3.092 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.584 15.134 -4.094 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.534 14.391 -2.785 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.052 16.030 -3.299 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.074 14.274 -3.010 1.00 0.00 H new ATOM 0 HG23 VAL A 52 11.842 14.945 -4.468 1.00 0.00 H new ATOM 805 N HIS A 53 7.589 14.196 -6.613 1.00 0.00 N ATOM 806 CA HIS A 53 6.251 14.056 -7.190 1.00 0.00 C ATOM 807 C HIS A 53 6.239 13.752 -8.687 1.00 0.00 C ATOM 808 O HIS A 53 5.274 14.135 -9.355 1.00 0.00 O ATOM 809 CB HIS A 53 5.364 15.241 -6.784 1.00 0.00 C ATOM 810 CG HIS A 53 4.996 15.201 -5.325 1.00 0.00 C ATOM 811 ND1 HIS A 53 5.158 16.217 -4.407 1.00 0.00 N ATOM 812 CD2 HIS A 53 4.355 14.166 -4.705 1.00 0.00 C ATOM 813 CE1 HIS A 53 4.613 15.805 -3.249 1.00 0.00 C ATOM 814 NE2 HIS A 53 4.116 14.564 -3.406 1.00 0.00 N ATOM 0 H HIS A 53 8.008 15.109 -6.787 1.00 0.00 H new ATOM 0 HA HIS A 53 5.810 13.158 -6.758 1.00 0.00 H new ATOM 0 HB2 HIS A 53 5.885 16.174 -7.000 1.00 0.00 H new ATOM 0 HB3 HIS A 53 4.456 15.236 -7.387 1.00 0.00 H new ATOM 0 HD2 HIS A 53 4.087 13.218 -5.147 1.00 0.00 H new ATOM 0 HE1 HIS A 53 4.579 16.380 -2.335 1.00 0.00 H new ATOM 0 HE2 HIS A 53 3.644 14.013 -2.689 1.00 0.00 H new ATOM 823 N GLY A 54 7.225 13.021 -9.213 1.00 0.00 N ATOM 824 CA GLY A 54 7.200 12.566 -10.593 1.00 0.00 C ATOM 825 C GLY A 54 8.242 11.477 -10.832 1.00 0.00 C ATOM 826 O GLY A 54 9.433 11.780 -10.874 1.00 0.00 O ATOM 0 H GLY A 54 8.054 12.733 -8.694 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.208 12.184 -10.835 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.389 13.407 -11.260 1.00 0.00 H new ATOM 830 N ALA A 55 7.760 10.250 -11.049 1.00 0.00 N ATOM 831 CA ALA A 55 8.418 8.951 -11.229 1.00 0.00 C ATOM 832 C ALA A 55 8.497 8.085 -9.963 1.00 0.00 C ATOM 833 O ALA A 55 8.678 6.886 -10.127 1.00 0.00 O ATOM 834 CB ALA A 55 9.803 9.053 -11.884 1.00 0.00 C ATOM 0 H ALA A 55 6.749 10.129 -11.111 1.00 0.00 H new ATOM 0 HA ALA A 55 7.749 8.437 -11.919 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.231 8.056 -11.986 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.707 9.510 -12.869 1.00 0.00 H new ATOM 0 HB3 ALA A 55 10.455 9.666 -11.262 1.00 0.00 H new ATOM 840 N VAL A 56 8.192 8.577 -8.753 1.00 0.00 N ATOM 841 CA VAL A 56 7.864 7.696 -7.608 1.00 0.00 C ATOM 842 C VAL A 56 6.859 6.599 -8.024 1.00 0.00 C ATOM 843 O VAL A 56 7.063 5.433 -7.697 1.00 0.00 O ATOM 844 CB VAL A 56 7.302 8.508 -6.405 1.00 0.00 C ATOM 845 CG1 VAL A 56 6.224 7.817 -5.544 1.00 0.00 C ATOM 846 CG2 VAL A 56 8.389 8.982 -5.445 1.00 0.00 C ATOM 0 H VAL A 56 8.164 9.573 -8.537 1.00 0.00 H new ATOM 0 HA VAL A 56 8.792 7.219 -7.292 1.00 0.00 H new ATOM 0 HB VAL A 56 6.829 9.339 -6.928 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.916 8.486 -4.741 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.362 7.575 -6.165 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.632 6.901 -5.117 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.934 9.542 -4.628 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.920 8.120 -5.042 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.091 9.624 -5.978 1.00 0.00 H new ATOM 856 N PRO A 57 5.741 6.918 -8.712 1.00 0.00 N ATOM 857 CA PRO A 57 4.794 5.881 -9.074 1.00 0.00 C ATOM 858 C PRO A 57 5.353 4.888 -10.100 1.00 0.00 C ATOM 859 O PRO A 57 4.821 3.789 -10.208 1.00 0.00 O ATOM 860 CB PRO A 57 3.554 6.599 -9.583 1.00 0.00 C ATOM 861 CG PRO A 57 3.865 8.088 -9.671 1.00 0.00 C ATOM 862 CD PRO A 57 5.302 8.224 -9.192 1.00 0.00 C ATOM 0 HA PRO A 57 4.562 5.261 -8.208 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.266 6.213 -10.561 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.713 6.426 -8.912 1.00 0.00 H new ATOM 0 HG2 PRO A 57 3.754 8.454 -10.692 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.186 8.670 -9.048 1.00 0.00 H new ATOM 0 HD2 PRO A 57 5.944 8.567 -10.003 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.370 8.966 -8.396 1.00 0.00 H new ATOM 870 N ASN A 58 6.425 5.239 -10.820 1.00 0.00 N ATOM 871 CA ASN A 58 7.046 4.360 -11.804 1.00 0.00 C ATOM 872 C ASN A 58 7.717 3.163 -11.129 1.00 0.00 C ATOM 873 O ASN A 58 7.801 2.097 -11.735 1.00 0.00 O ATOM 874 CB ASN A 58 8.061 5.146 -12.653 1.00 0.00 C ATOM 875 CG ASN A 58 8.361 4.470 -13.983 1.00 0.00 C ATOM 876 OD1 ASN A 58 7.590 3.658 -14.476 1.00 0.00 O ATOM 877 ND2 ASN A 58 9.415 4.879 -14.662 1.00 0.00 N ATOM 0 H ASN A 58 6.884 6.146 -10.732 1.00 0.00 H new ATOM 0 HA ASN A 58 6.265 3.976 -12.460 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.675 6.148 -12.838 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.988 5.260 -12.091 1.00 0.00 H new ATOM 0 HD21 ASN A 58 9.589 4.518 -15.600 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.056 5.556 -14.249 1.00 0.00 H new ATOM 884 N PHE A 59 8.142 3.327 -9.869 1.00 0.00 N ATOM 885 CA PHE A 59 8.521 2.237 -8.984 1.00 0.00 C ATOM 886 C PHE A 59 7.267 1.439 -8.617 1.00 0.00 C ATOM 887 O PHE A 59 7.113 0.303 -9.060 1.00 0.00 O ATOM 888 CB PHE A 59 9.244 2.792 -7.744 1.00 0.00 C ATOM 889 CG PHE A 59 9.432 1.795 -6.615 1.00 0.00 C ATOM 890 CD1 PHE A 59 10.357 0.749 -6.748 1.00 0.00 C ATOM 891 CD2 PHE A 59 8.665 1.897 -5.438 1.00 0.00 C ATOM 892 CE1 PHE A 59 10.509 -0.195 -5.717 1.00 0.00 C ATOM 893 CE2 PHE A 59 8.803 0.940 -4.416 1.00 0.00 C ATOM 894 CZ PHE A 59 9.740 -0.094 -4.548 1.00 0.00 C ATOM 0 H PHE A 59 8.231 4.246 -9.435 1.00 0.00 H new ATOM 0 HA PHE A 59 9.218 1.564 -9.483 1.00 0.00 H new ATOM 0 HB2 PHE A 59 10.223 3.164 -8.048 1.00 0.00 H new ATOM 0 HB3 PHE A 59 8.682 3.646 -7.366 1.00 0.00 H new ATOM 0 HD1 PHE A 59 10.954 0.668 -7.644 1.00 0.00 H new ATOM 0 HD2 PHE A 59 7.968 2.713 -5.320 1.00 0.00 H new ATOM 0 HE1 PHE A 59 11.220 -1.001 -5.825 1.00 0.00 H new ATOM 0 HE2 PHE A 59 8.188 1.002 -3.531 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.870 -0.812 -3.751 1.00 0.00 H new ATOM 904 N VAL A 60 6.356 2.006 -7.814 1.00 0.00 N ATOM 905 CA VAL A 60 5.291 1.208 -7.191 1.00 0.00 C ATOM 906 C VAL A 60 4.342 0.539 -8.202 1.00 0.00 C ATOM 907 O VAL A 60 3.807 -0.525 -7.898 1.00 0.00 O ATOM 908 CB VAL A 60 4.483 2.015 -6.153 1.00 0.00 C ATOM 909 CG1 VAL A 60 5.184 2.198 -4.792 1.00 0.00 C ATOM 910 CG2 VAL A 60 4.046 3.383 -6.657 1.00 0.00 C ATOM 0 H VAL A 60 6.334 2.999 -7.583 1.00 0.00 H new ATOM 0 HA VAL A 60 5.818 0.407 -6.673 1.00 0.00 H new ATOM 0 HB VAL A 60 3.605 1.387 -5.999 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.543 2.777 -4.127 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.379 1.221 -4.349 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.127 2.726 -4.936 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.483 3.895 -5.877 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.925 3.973 -6.917 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.417 3.262 -7.539 1.00 0.00 H new ATOM 920 N LYS A 61 4.120 1.103 -9.394 1.00 0.00 N ATOM 921 CA LYS A 61 3.305 0.442 -10.416 1.00 0.00 C ATOM 922 C LYS A 61 3.956 -0.852 -10.868 1.00 0.00 C ATOM 923 O LYS A 61 3.267 -1.836 -11.130 1.00 0.00 O ATOM 924 CB LYS A 61 3.054 1.370 -11.621 1.00 0.00 C ATOM 925 CG LYS A 61 1.884 0.925 -12.532 1.00 0.00 C ATOM 926 CD LYS A 61 2.107 1.274 -14.008 1.00 0.00 C ATOM 927 CE LYS A 61 3.070 0.295 -14.699 1.00 0.00 C ATOM 928 NZ LYS A 61 3.348 0.696 -16.096 1.00 0.00 N ATOM 0 H LYS A 61 4.492 2.011 -9.673 1.00 0.00 H new ATOM 0 HA LYS A 61 2.340 0.207 -9.968 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.852 2.376 -11.254 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.964 1.425 -12.218 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.746 -0.152 -12.436 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.963 1.397 -12.188 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.150 1.268 -14.529 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.505 2.286 -14.084 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.005 0.249 -14.141 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.641 -0.707 -14.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.001 0.013 -16.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.459 0.716 -16.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.780 1.642 -16.106 1.00 0.00 H new ATOM 942 N GLU A 62 5.281 -0.871 -10.939 1.00 0.00 N ATOM 943 CA GLU A 62 6.007 -2.073 -11.278 1.00 0.00 C ATOM 944 C GLU A 62 5.948 -3.096 -10.142 1.00 0.00 C ATOM 945 O GLU A 62 6.189 -4.272 -10.397 1.00 0.00 O ATOM 946 CB GLU A 62 7.417 -1.708 -11.763 1.00 0.00 C ATOM 947 CG GLU A 62 8.634 -2.016 -10.867 1.00 0.00 C ATOM 948 CD GLU A 62 9.618 -2.968 -11.552 1.00 0.00 C ATOM 949 OE1 GLU A 62 9.927 -2.747 -12.747 1.00 0.00 O ATOM 950 OE2 GLU A 62 10.178 -3.862 -10.884 1.00 0.00 O ATOM 0 H GLU A 62 5.872 -0.058 -10.764 1.00 0.00 H new ATOM 0 HA GLU A 62 5.529 -2.581 -12.116 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.576 -2.215 -12.715 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.425 -0.637 -11.967 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.144 -1.086 -10.614 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.293 -2.457 -9.930 1.00 0.00 H new ATOM 957 N LYS A 63 5.561 -2.719 -8.914 1.00 0.00 N ATOM 958 CA LYS A 63 5.402 -3.674 -7.814 1.00 0.00 C ATOM 959 C LYS A 63 3.998 -4.304 -7.834 1.00 0.00 C ATOM 960 O LYS A 63 3.487 -4.683 -6.788 1.00 0.00 O ATOM 961 CB LYS A 63 5.647 -2.949 -6.468 1.00 0.00 C ATOM 962 CG LYS A 63 6.976 -2.180 -6.354 1.00 0.00 C ATOM 963 CD LYS A 63 8.223 -3.066 -6.243 1.00 0.00 C ATOM 964 CE LYS A 63 8.489 -3.454 -4.776 1.00 0.00 C ATOM 965 NZ LYS A 63 9.682 -4.316 -4.592 1.00 0.00 N ATOM 0 H LYS A 63 5.352 -1.753 -8.660 1.00 0.00 H new ATOM 0 HA LYS A 63 6.131 -4.476 -7.933 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.828 -2.249 -6.299 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.606 -3.687 -5.667 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.082 -1.535 -7.226 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.930 -1.530 -5.480 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.090 -3.966 -6.844 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.087 -2.538 -6.647 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.614 -2.546 -4.187 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.614 -3.971 -4.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.722 -4.647 -3.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.621 -5.135 -5.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.541 -3.771 -4.809 1.00 0.00 H new ATOM 979 N GLY A 64 3.435 -4.579 -9.015 1.00 0.00 N ATOM 980 CA GLY A 64 2.269 -5.440 -9.256 1.00 0.00 C ATOM 981 C GLY A 64 1.034 -5.204 -8.372 1.00 0.00 C ATOM 982 O GLY A 64 0.271 -6.143 -8.143 1.00 0.00 O ATOM 0 H GLY A 64 3.802 -4.184 -9.881 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.969 -5.320 -10.297 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.582 -6.477 -9.132 1.00 0.00 H new ATOM 986 N ALA A 65 0.847 -3.994 -7.837 1.00 0.00 N ATOM 987 CA ALA A 65 -0.085 -3.736 -6.742 1.00 0.00 C ATOM 988 C ALA A 65 -1.575 -3.795 -7.132 1.00 0.00 C ATOM 989 O ALA A 65 -1.911 -3.884 -8.315 1.00 0.00 O ATOM 990 CB ALA A 65 0.277 -2.384 -6.141 1.00 0.00 C ATOM 0 H ALA A 65 1.343 -3.162 -8.156 1.00 0.00 H new ATOM 0 HA ALA A 65 0.024 -4.541 -6.015 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.401 -2.158 -5.318 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.301 -2.413 -5.770 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.190 -1.611 -6.905 1.00 0.00 H new ATOM 996 N GLU A 66 -2.462 -3.691 -6.125 1.00 0.00 N ATOM 997 CA GLU A 66 -3.925 -3.757 -6.258 1.00 0.00 C ATOM 998 C GLU A 66 -4.627 -2.773 -5.305 1.00 0.00 C ATOM 999 O GLU A 66 -5.659 -2.218 -5.669 1.00 0.00 O ATOM 1000 CB GLU A 66 -4.416 -5.201 -6.030 1.00 0.00 C ATOM 1001 CG GLU A 66 -4.543 -5.948 -7.371 1.00 0.00 C ATOM 1002 CD GLU A 66 -4.911 -7.434 -7.249 1.00 0.00 C ATOM 1003 OE1 GLU A 66 -4.705 -8.056 -6.184 1.00 0.00 O ATOM 1004 OE2 GLU A 66 -5.338 -8.067 -8.239 1.00 0.00 O ATOM 0 H GLU A 66 -2.165 -3.553 -5.159 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.186 -3.458 -7.273 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.720 -5.729 -5.378 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.380 -5.187 -5.522 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.299 -5.450 -7.978 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.598 -5.865 -7.908 1.00 0.00 H new ATOM 1011 N LEU A 67 -4.082 -2.516 -4.106 1.00 0.00 N ATOM 1012 CA LEU A 67 -4.720 -1.714 -3.061 1.00 0.00 C ATOM 1013 C LEU A 67 -3.669 -0.797 -2.421 1.00 0.00 C ATOM 1014 O LEU A 67 -2.465 -1.069 -2.476 1.00 0.00 O ATOM 1015 CB LEU A 67 -5.390 -2.693 -2.063 1.00 0.00 C ATOM 1016 CG LEU A 67 -6.420 -2.202 -1.020 1.00 0.00 C ATOM 1017 CD1 LEU A 67 -5.870 -1.318 0.097 1.00 0.00 C ATOM 1018 CD2 LEU A 67 -7.642 -1.551 -1.669 1.00 0.00 C ATOM 0 H LEU A 67 -3.165 -2.870 -3.834 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.497 -1.057 -3.452 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.882 -3.463 -2.657 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.587 -3.181 -1.510 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.725 -3.125 -0.526 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.680 -1.034 0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.112 -1.867 0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.425 -0.421 -0.334 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.335 -1.224 -0.894 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.326 -0.691 -2.260 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.138 -2.274 -2.317 1.00 0.00 H new ATOM 1030 N VAL A 68 -4.107 0.311 -1.826 1.00 0.00 N ATOM 1031 CA VAL A 68 -3.244 1.327 -1.212 1.00 0.00 C ATOM 1032 C VAL A 68 -3.995 1.959 -0.034 1.00 0.00 C ATOM 1033 O VAL A 68 -5.218 2.120 -0.107 1.00 0.00 O ATOM 1034 CB VAL A 68 -2.851 2.409 -2.249 1.00 0.00 C ATOM 1035 CG1 VAL A 68 -1.577 3.143 -1.850 1.00 0.00 C ATOM 1036 CG2 VAL A 68 -2.566 1.889 -3.650 1.00 0.00 C ATOM 0 H VAL A 68 -5.099 0.536 -1.754 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.325 0.861 -0.856 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.733 3.049 -2.261 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.338 3.893 -2.604 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.725 3.632 -0.887 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.756 2.431 -1.773 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.300 2.722 -4.300 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.739 1.179 -3.614 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.454 1.392 -4.041 1.00 0.00 H new ATOM 1046 N ILE A 69 -3.300 2.321 1.046 1.00 0.00 N ATOM 1047 CA ILE A 69 -3.883 2.974 2.216 1.00 0.00 C ATOM 1048 C ILE A 69 -2.894 4.084 2.614 1.00 0.00 C ATOM 1049 O ILE A 69 -1.742 3.786 2.929 1.00 0.00 O ATOM 1050 CB ILE A 69 -4.171 1.924 3.328 1.00 0.00 C ATOM 1051 CG1 ILE A 69 -5.006 0.714 2.834 1.00 0.00 C ATOM 1052 CG2 ILE A 69 -4.914 2.581 4.491 1.00 0.00 C ATOM 1053 CD1 ILE A 69 -5.203 -0.411 3.862 1.00 0.00 C ATOM 0 H ILE A 69 -2.296 2.165 1.132 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.854 3.428 2.020 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.198 1.548 3.644 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -5.986 1.074 2.521 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.523 0.296 1.951 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.111 1.838 5.264 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.304 3.383 4.906 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.858 2.992 4.134 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.799 -1.209 3.419 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.232 -0.806 4.159 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.718 -0.017 4.738 1.00 0.00 H new ATOM 1065 N VAL A 70 -3.284 5.363 2.533 1.00 0.00 N ATOM 1066 CA VAL A 70 -2.393 6.514 2.757 1.00 0.00 C ATOM 1067 C VAL A 70 -3.057 7.509 3.705 1.00 0.00 C ATOM 1068 O VAL A 70 -4.205 7.319 4.111 1.00 0.00 O ATOM 1069 CB VAL A 70 -2.010 7.193 1.420 1.00 0.00 C ATOM 1070 CG1 VAL A 70 -1.304 6.246 0.451 1.00 0.00 C ATOM 1071 CG2 VAL A 70 -3.221 7.821 0.724 1.00 0.00 C ATOM 0 H VAL A 70 -4.241 5.633 2.307 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.472 6.155 3.216 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.309 7.982 1.693 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.061 6.780 -0.468 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.387 5.875 0.908 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.960 5.407 0.220 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.904 8.285 -0.210 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.960 7.048 0.512 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.662 8.577 1.374 1.00 0.00 H new ATOM 1081 N ARG A 71 -2.371 8.594 4.072 1.00 0.00 N ATOM 1082 CA ARG A 71 -3.026 9.709 4.750 1.00 0.00 C ATOM 1083 C ARG A 71 -3.442 10.727 3.692 1.00 0.00 C ATOM 1084 O ARG A 71 -4.581 10.677 3.240 1.00 0.00 O ATOM 1085 CB ARG A 71 -2.151 10.223 5.911 1.00 0.00 C ATOM 1086 CG ARG A 71 -2.874 10.318 7.263 1.00 0.00 C ATOM 1087 CD ARG A 71 -2.093 9.690 8.427 1.00 0.00 C ATOM 1088 NE ARG A 71 -2.719 10.060 9.708 1.00 0.00 N ATOM 1089 CZ ARG A 71 -2.343 11.077 10.496 1.00 0.00 C ATOM 1090 NH1 ARG A 71 -1.161 11.661 10.320 1.00 0.00 N ATOM 1091 NH2 ARG A 71 -3.148 11.529 11.451 1.00 0.00 N ATOM 0 H ARG A 71 -1.372 8.722 3.912 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.948 9.415 5.252 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.290 9.563 6.020 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -1.766 11.209 5.650 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.065 11.367 7.490 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.844 9.827 7.181 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.075 8.605 8.321 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.057 10.030 8.407 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.507 9.493 10.023 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.536 11.335 9.583 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.880 12.435 10.922 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.063 11.102 11.591 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.851 12.304 12.044 1.00 0.00 H new ATOM 1105 N GLY A 72 -2.523 11.574 3.218 1.00 0.00 N ATOM 1106 CA GLY A 72 -2.882 12.777 2.469 1.00 0.00 C ATOM 1107 C GLY A 72 -2.550 12.775 0.971 1.00 0.00 C ATOM 1108 O GLY A 72 -3.131 13.571 0.229 1.00 0.00 O ATOM 0 H GLY A 72 -1.519 11.445 3.342 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.954 12.941 2.581 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.379 13.628 2.929 1.00 0.00 H new ATOM 1112 N ILE A 73 -1.640 11.898 0.520 1.00 0.00 N ATOM 1113 CA ILE A 73 -1.235 11.663 -0.879 1.00 0.00 C ATOM 1114 C ILE A 73 -1.212 12.946 -1.744 1.00 0.00 C ATOM 1115 O ILE A 73 -0.486 13.871 -1.381 1.00 0.00 O ATOM 1116 CB ILE A 73 -1.994 10.431 -1.448 1.00 0.00 C ATOM 1117 CG1 ILE A 73 -1.550 9.996 -2.864 1.00 0.00 C ATOM 1118 CG2 ILE A 73 -3.530 10.564 -1.387 1.00 0.00 C ATOM 1119 CD1 ILE A 73 -1.675 8.485 -3.103 1.00 0.00 C ATOM 0 H ILE A 73 -1.132 11.292 1.165 1.00 0.00 H new ATOM 0 HA ILE A 73 -0.181 11.387 -0.912 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.700 9.633 -0.766 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.151 10.525 -3.604 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.514 10.297 -3.021 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.990 9.667 -1.801 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.844 10.687 -0.350 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.843 11.433 -1.966 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.347 8.248 -4.115 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.052 7.950 -2.386 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.714 8.182 -2.978 1.00 0.00 H new ATOM 1131 N GLY A 74 -1.882 13.011 -2.897 1.00 0.00 N ATOM 1132 CA GLY A 74 -1.866 14.129 -3.851 1.00 0.00 C ATOM 1133 C GLY A 74 -2.183 13.607 -5.253 1.00 0.00 C ATOM 1134 O GLY A 74 -1.682 12.531 -5.594 1.00 0.00 O ATOM 0 H GLY A 74 -2.482 12.247 -3.209 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -2.598 14.882 -3.558 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -0.890 14.613 -3.844 1.00 0.00 H new ATOM 1138 N ARG A 75 -2.968 14.347 -6.056 1.00 0.00 N ATOM 1139 CA ARG A 75 -3.600 13.871 -7.300 1.00 0.00 C ATOM 1140 C ARG A 75 -2.635 13.143 -8.231 1.00 0.00 C ATOM 1141 O ARG A 75 -3.006 12.069 -8.686 1.00 0.00 O ATOM 1142 CB ARG A 75 -4.330 15.015 -8.042 1.00 0.00 C ATOM 1143 CG ARG A 75 -5.078 14.581 -9.326 1.00 0.00 C ATOM 1144 CD ARG A 75 -6.363 13.757 -9.105 1.00 0.00 C ATOM 1145 NE ARG A 75 -7.590 14.559 -9.290 1.00 0.00 N ATOM 1146 CZ ARG A 75 -8.218 14.784 -10.460 1.00 0.00 C ATOM 1147 NH1 ARG A 75 -7.736 14.328 -11.610 1.00 0.00 N ATOM 1148 NH2 ARG A 75 -9.336 15.501 -10.479 1.00 0.00 N ATOM 0 H ARG A 75 -3.187 15.322 -5.851 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.341 13.134 -6.990 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.045 15.474 -7.359 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.602 15.782 -8.304 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.335 15.475 -9.895 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.395 13.996 -9.942 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.375 12.916 -9.798 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.354 13.340 -8.098 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.999 14.981 -8.456 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.868 13.792 -11.623 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.233 14.514 -12.481 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.715 15.878 -9.610 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.816 15.674 -11.362 1.00 0.00 H new ATOM 1162 N ARG A 76 -1.410 13.630 -8.464 1.00 0.00 N ATOM 1163 CA ARG A 76 -0.490 12.969 -9.407 1.00 0.00 C ATOM 1164 C ARG A 76 -0.275 11.491 -9.075 1.00 0.00 C ATOM 1165 O ARG A 76 0.000 10.689 -9.965 1.00 0.00 O ATOM 1166 CB ARG A 76 0.854 13.726 -9.454 1.00 0.00 C ATOM 1167 CG ARG A 76 1.843 13.172 -10.499 1.00 0.00 C ATOM 1168 CD ARG A 76 1.478 13.531 -11.949 1.00 0.00 C ATOM 1169 NE ARG A 76 2.144 14.765 -12.408 1.00 0.00 N ATOM 1170 CZ ARG A 76 1.617 15.994 -12.523 1.00 0.00 C ATOM 1171 NH1 ARG A 76 0.426 16.306 -12.032 1.00 0.00 N ATOM 1172 NH2 ARG A 76 2.293 16.956 -13.142 1.00 0.00 N ATOM 0 H ARG A 76 -1.033 14.468 -8.021 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.952 13.001 -10.394 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.661 14.777 -9.671 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.319 13.684 -8.469 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.840 13.553 -10.280 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.889 12.087 -10.403 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.755 12.706 -12.605 1.00 0.00 H new ATOM 0 HD3 ARG A 76 0.398 13.653 -12.029 1.00 0.00 H new ATOM 0 HE ARG A 76 3.125 14.673 -12.670 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.126 15.600 -11.545 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.061 17.252 -12.141 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.215 16.762 -13.532 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.889 17.889 -13.228 1.00 0.00 H new ATOM 1186 N ALA A 77 -0.340 11.137 -7.792 1.00 0.00 N ATOM 1187 CA ALA A 77 -0.143 9.766 -7.375 1.00 0.00 C ATOM 1188 C ALA A 77 -1.456 8.977 -7.383 1.00 0.00 C ATOM 1189 O ALA A 77 -1.403 7.766 -7.537 1.00 0.00 O ATOM 1190 CB ALA A 77 0.478 9.741 -5.985 1.00 0.00 C ATOM 0 H ALA A 77 -0.528 11.788 -7.029 1.00 0.00 H new ATOM 0 HA ALA A 77 0.530 9.288 -8.087 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.626 8.708 -5.671 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.439 10.255 -6.006 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.186 10.242 -5.281 1.00 0.00 H new ATOM 1196 N ILE A 78 -2.618 9.628 -7.237 1.00 0.00 N ATOM 1197 CA ILE A 78 -3.912 8.995 -7.499 1.00 0.00 C ATOM 1198 C ILE A 78 -3.875 8.515 -8.950 1.00 0.00 C ATOM 1199 O ILE A 78 -4.056 7.332 -9.214 1.00 0.00 O ATOM 1200 CB ILE A 78 -5.085 9.962 -7.259 1.00 0.00 C ATOM 1201 CG1 ILE A 78 -5.040 10.614 -5.866 1.00 0.00 C ATOM 1202 CG2 ILE A 78 -6.435 9.267 -7.491 1.00 0.00 C ATOM 1203 CD1 ILE A 78 -5.087 9.665 -4.670 1.00 0.00 C ATOM 0 H ILE A 78 -2.685 10.600 -6.936 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.075 8.163 -6.814 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.978 10.764 -7.989 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.128 11.207 -5.796 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -5.878 11.307 -5.786 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.244 9.975 -7.314 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.487 8.906 -8.518 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.533 8.425 -6.806 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.049 10.242 -3.746 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.011 9.088 -4.700 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.234 8.987 -4.710 1.00 0.00 H new ATOM 1215 N ALA A 79 -3.516 9.430 -9.862 1.00 0.00 N ATOM 1216 CA ALA A 79 -3.390 9.195 -11.291 1.00 0.00 C ATOM 1217 C ALA A 79 -2.497 7.999 -11.627 1.00 0.00 C ATOM 1218 O ALA A 79 -2.659 7.408 -12.691 1.00 0.00 O ATOM 1219 CB ALA A 79 -2.820 10.452 -11.952 1.00 0.00 C ATOM 0 H ALA A 79 -3.298 10.392 -9.603 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.385 8.964 -11.671 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.721 10.286 -13.025 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.491 11.292 -11.775 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.841 10.674 -11.528 1.00 0.00 H new ATOM 1225 N ALA A 80 -1.543 7.650 -10.762 1.00 0.00 N ATOM 1226 CA ALA A 80 -0.702 6.501 -10.972 1.00 0.00 C ATOM 1227 C ALA A 80 -1.467 5.203 -10.751 1.00 0.00 C ATOM 1228 O ALA A 80 -1.506 4.360 -11.639 1.00 0.00 O ATOM 1229 CB ALA A 80 0.485 6.595 -10.037 1.00 0.00 C ATOM 0 H ALA A 80 -1.343 8.163 -9.903 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.358 6.492 -12.006 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.133 5.731 -10.184 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.043 7.507 -10.248 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.135 6.615 -9.005 1.00 0.00 H new ATOM 1235 N PHE A 81 -2.052 5.013 -9.574 1.00 0.00 N ATOM 1236 CA PHE A 81 -2.860 3.878 -9.230 1.00 0.00 C ATOM 1237 C PHE A 81 -4.063 3.756 -10.170 1.00 0.00 C ATOM 1238 O PHE A 81 -4.379 2.648 -10.594 1.00 0.00 O ATOM 1239 CB PHE A 81 -3.207 4.066 -7.752 1.00 0.00 C ATOM 1240 CG PHE A 81 -1.984 4.046 -6.842 1.00 0.00 C ATOM 1241 CD1 PHE A 81 -1.066 2.980 -6.904 1.00 0.00 C ATOM 1242 CD2 PHE A 81 -1.734 5.101 -5.945 1.00 0.00 C ATOM 1243 CE1 PHE A 81 0.067 2.956 -6.075 1.00 0.00 C ATOM 1244 CE2 PHE A 81 -0.595 5.078 -5.118 1.00 0.00 C ATOM 1245 CZ PHE A 81 0.305 4.002 -5.172 1.00 0.00 C ATOM 0 H PHE A 81 -1.964 5.682 -8.809 1.00 0.00 H new ATOM 0 HA PHE A 81 -2.347 2.925 -9.359 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -3.731 5.014 -7.626 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.895 3.278 -7.444 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -1.236 2.170 -7.598 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -2.420 5.933 -5.891 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.758 2.128 -6.133 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.412 5.895 -4.436 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.170 3.980 -4.526 1.00 0.00 H new ATOM 1255 N GLU A 82 -4.632 4.874 -10.625 1.00 0.00 N ATOM 1256 CA GLU A 82 -5.652 4.903 -11.668 1.00 0.00 C ATOM 1257 C GLU A 82 -5.185 4.185 -12.942 1.00 0.00 C ATOM 1258 O GLU A 82 -6.000 3.550 -13.617 1.00 0.00 O ATOM 1259 CB GLU A 82 -5.993 6.363 -12.009 1.00 0.00 C ATOM 1260 CG GLU A 82 -6.816 7.095 -10.937 1.00 0.00 C ATOM 1261 CD GLU A 82 -8.328 6.974 -11.149 1.00 0.00 C ATOM 1262 OE1 GLU A 82 -8.789 5.982 -11.760 1.00 0.00 O ATOM 1263 OE2 GLU A 82 -9.066 7.894 -10.720 1.00 0.00 O ATOM 0 H GLU A 82 -4.391 5.800 -10.271 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.532 4.383 -11.289 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.065 6.910 -12.172 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.545 6.383 -12.949 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.560 6.695 -9.956 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.540 8.149 -10.933 1.00 0.00 H new ATOM 1270 N ALA A 83 -3.886 4.219 -13.261 1.00 0.00 N ATOM 1271 CA ALA A 83 -3.357 3.630 -14.481 1.00 0.00 C ATOM 1272 C ALA A 83 -3.212 2.112 -14.381 1.00 0.00 C ATOM 1273 O ALA A 83 -2.940 1.461 -15.386 1.00 0.00 O ATOM 1274 CB ALA A 83 -1.988 4.235 -14.773 1.00 0.00 C ATOM 0 H ALA A 83 -3.177 4.658 -12.674 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.064 3.845 -15.282 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.585 3.798 -15.687 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.086 5.313 -14.899 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.313 4.026 -13.943 1.00 0.00 H new ATOM 1280 N MET A 84 -3.360 1.548 -13.185 1.00 0.00 N ATOM 1281 CA MET A 84 -3.204 0.127 -12.893 1.00 0.00 C ATOM 1282 C MET A 84 -4.465 -0.440 -12.228 1.00 0.00 C ATOM 1283 O MET A 84 -4.428 -1.559 -11.723 1.00 0.00 O ATOM 1284 CB MET A 84 -1.907 -0.115 -12.088 1.00 0.00 C ATOM 1285 CG MET A 84 -1.673 0.895 -10.964 1.00 0.00 C ATOM 1286 SD MET A 84 -0.269 0.663 -9.823 1.00 0.00 S ATOM 1287 CE MET A 84 0.100 -1.116 -9.902 1.00 0.00 C ATOM 0 H MET A 84 -3.602 2.093 -12.358 1.00 0.00 H new ATOM 0 HA MET A 84 -3.093 -0.427 -13.825 1.00 0.00 H new ATOM 0 HB2 MET A 84 -1.939 -1.117 -11.661 1.00 0.00 H new ATOM 0 HB3 MET A 84 -1.058 -0.086 -12.771 1.00 0.00 H new ATOM 0 HG2 MET A 84 -1.560 1.876 -11.425 1.00 0.00 H new ATOM 0 HG3 MET A 84 -2.581 0.929 -10.362 1.00 0.00 H new ATOM 0 HE1 MET A 84 0.798 -1.379 -9.107 1.00 0.00 H new ATOM 0 HE2 MET A 84 -0.822 -1.685 -9.779 1.00 0.00 H new ATOM 0 HE3 MET A 84 0.546 -1.353 -10.868 1.00 0.00 H new ATOM 1297 N GLY A 85 -5.570 0.321 -12.193 1.00 0.00 N ATOM 1298 CA GLY A 85 -6.797 -0.099 -11.522 1.00 0.00 C ATOM 1299 C GLY A 85 -6.599 -0.281 -10.021 1.00 0.00 C ATOM 1300 O GLY A 85 -7.355 -1.016 -9.378 1.00 0.00 O ATOM 0 H GLY A 85 -5.632 1.241 -12.629 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -7.577 0.642 -11.697 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -7.145 -1.036 -11.957 1.00 0.00 H new ATOM 1304 N VAL A 86 -5.578 0.353 -9.451 1.00 0.00 N ATOM 1305 CA VAL A 86 -5.252 0.217 -8.047 1.00 0.00 C ATOM 1306 C VAL A 86 -6.182 1.134 -7.256 1.00 0.00 C ATOM 1307 O VAL A 86 -6.203 2.344 -7.494 1.00 0.00 O ATOM 1308 CB VAL A 86 -3.736 0.443 -7.870 1.00 0.00 C ATOM 1309 CG1 VAL A 86 -3.336 0.579 -6.409 1.00 0.00 C ATOM 1310 CG2 VAL A 86 -3.016 -0.809 -8.376 1.00 0.00 C ATOM 0 H VAL A 86 -4.953 0.978 -9.960 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.428 -0.781 -7.647 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.476 1.355 -8.407 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.260 0.736 -6.340 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.856 1.429 -5.967 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -3.605 -0.331 -5.872 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.939 -0.680 -8.264 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.340 -1.674 -7.797 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.255 -0.966 -9.428 1.00 0.00 H new ATOM 1320 N LYS A 87 -6.987 0.562 -6.351 1.00 0.00 N ATOM 1321 CA LYS A 87 -7.865 1.336 -5.471 1.00 0.00 C ATOM 1322 C LYS A 87 -7.038 2.084 -4.418 1.00 0.00 C ATOM 1323 O LYS A 87 -6.056 1.526 -3.917 1.00 0.00 O ATOM 1324 CB LYS A 87 -8.910 0.403 -4.830 1.00 0.00 C ATOM 1325 CG LYS A 87 -10.107 1.191 -4.272 1.00 0.00 C ATOM 1326 CD LYS A 87 -10.672 0.698 -2.931 1.00 0.00 C ATOM 1327 CE LYS A 87 -11.700 -0.436 -3.040 1.00 0.00 C ATOM 1328 NZ LYS A 87 -11.094 -1.780 -3.123 1.00 0.00 N ATOM 0 H LYS A 87 -7.046 -0.447 -6.210 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.400 2.086 -6.053 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.260 -0.315 -5.571 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.444 -0.169 -4.027 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.809 2.233 -4.157 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.908 1.169 -5.011 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.845 0.360 -2.307 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.135 1.540 -2.417 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.362 -0.398 -2.175 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.318 -0.271 -3.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.845 -2.496 -3.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.483 -1.834 -3.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.526 -1.958 -2.270 1.00 0.00 H new ATOM 1342 N VAL A 88 -7.445 3.283 -3.980 1.00 0.00 N ATOM 1343 CA VAL A 88 -6.645 4.155 -3.107 1.00 0.00 C ATOM 1344 C VAL A 88 -7.486 4.716 -1.943 1.00 0.00 C ATOM 1345 O VAL A 88 -8.295 5.612 -2.154 1.00 0.00 O ATOM 1346 CB VAL A 88 -6.037 5.291 -3.973 1.00 0.00 C ATOM 1347 CG1 VAL A 88 -5.050 6.189 -3.214 1.00 0.00 C ATOM 1348 CG2 VAL A 88 -5.267 4.772 -5.194 1.00 0.00 C ATOM 0 H VAL A 88 -8.352 3.681 -4.225 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.842 3.576 -2.651 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.918 5.858 -4.273 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.668 6.958 -3.885 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.559 6.661 -2.374 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.221 5.586 -2.843 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.867 5.615 -5.757 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.447 4.135 -4.863 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.939 4.196 -5.830 1.00 0.00 H new ATOM 1358 N ILE A 89 -7.274 4.250 -0.705 1.00 0.00 N ATOM 1359 CA ILE A 89 -7.972 4.690 0.513 1.00 0.00 C ATOM 1360 C ILE A 89 -7.110 5.744 1.217 1.00 0.00 C ATOM 1361 O ILE A 89 -5.884 5.663 1.162 1.00 0.00 O ATOM 1362 CB ILE A 89 -8.235 3.461 1.416 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -9.224 2.464 0.768 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -8.750 3.873 2.805 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -8.992 1.033 1.249 1.00 0.00 C ATOM 0 H ILE A 89 -6.582 3.525 -0.516 1.00 0.00 H new ATOM 0 HA ILE A 89 -8.935 5.141 0.274 1.00 0.00 H new ATOM 0 HB ILE A 89 -7.273 2.962 1.535 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -10.246 2.764 1.001 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -9.120 2.503 -0.316 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.922 2.982 3.408 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -8.009 4.505 3.295 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -9.684 4.425 2.698 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -9.709 0.367 0.768 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -7.979 0.723 0.992 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -9.122 0.987 2.330 1.00 0.00 H new ATOM 1377 N LYS A 90 -7.717 6.719 1.898 1.00 0.00 N ATOM 1378 CA LYS A 90 -7.038 7.839 2.546 1.00 0.00 C ATOM 1379 C LYS A 90 -7.500 7.972 3.997 1.00 0.00 C ATOM 1380 O LYS A 90 -8.131 7.052 4.516 1.00 0.00 O ATOM 1381 CB LYS A 90 -7.269 9.121 1.742 1.00 0.00 C ATOM 1382 CG LYS A 90 -6.697 9.116 0.319 1.00 0.00 C ATOM 1383 CD LYS A 90 -7.609 8.555 -0.783 1.00 0.00 C ATOM 1384 CE LYS A 90 -8.794 9.462 -1.099 1.00 0.00 C ATOM 1385 NZ LYS A 90 -9.977 9.240 -0.250 1.00 0.00 N ATOM 0 H LYS A 90 -8.730 6.750 2.016 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.964 7.654 2.569 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.342 9.305 1.684 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.832 9.956 2.289 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.431 10.139 0.054 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.773 8.538 0.324 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.023 8.404 -1.689 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.980 7.577 -0.477 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.478 10.500 -0.996 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -9.078 9.317 -2.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.752 8.855 -0.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -9.740 8.566 0.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -10.275 10.142 0.172 1.00 0.00 H new ATOM 1399 N GLY A 91 -7.093 9.035 4.691 1.00 0.00 N ATOM 1400 CA GLY A 91 -7.741 9.430 5.931 1.00 0.00 C ATOM 1401 C GLY A 91 -7.468 8.523 7.134 1.00 0.00 C ATOM 1402 O GLY A 91 -8.127 8.680 8.159 1.00 0.00 O ATOM 0 H GLY A 91 -6.317 9.635 4.411 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.422 10.442 6.181 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.817 9.467 5.763 1.00 0.00 H new ATOM 1406 N ALA A 92 -6.529 7.573 7.051 1.00 0.00 N ATOM 1407 CA ALA A 92 -6.295 6.618 8.140 1.00 0.00 C ATOM 1408 C ALA A 92 -5.293 7.171 9.167 1.00 0.00 C ATOM 1409 O ALA A 92 -4.992 8.371 9.194 1.00 0.00 O ATOM 1410 CB ALA A 92 -5.922 5.239 7.578 1.00 0.00 C ATOM 0 H ALA A 92 -5.920 7.445 6.243 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.222 6.476 8.695 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -5.752 4.545 8.401 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.734 4.869 6.953 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.014 5.323 6.981 1.00 0.00 H new ATOM 1416 N SER A 93 -4.814 6.303 10.060 1.00 0.00 N ATOM 1417 CA SER A 93 -3.810 6.573 11.075 1.00 0.00 C ATOM 1418 C SER A 93 -3.344 5.211 11.614 1.00 0.00 C ATOM 1419 O SER A 93 -4.097 4.240 11.510 1.00 0.00 O ATOM 1420 CB SER A 93 -4.426 7.497 12.151 1.00 0.00 C ATOM 1421 OG SER A 93 -4.666 6.894 13.410 1.00 0.00 O ATOM 0 H SER A 93 -5.140 5.337 10.091 1.00 0.00 H new ATOM 0 HA SER A 93 -2.937 7.100 10.689 1.00 0.00 H new ATOM 0 HB2 SER A 93 -3.761 8.349 12.297 1.00 0.00 H new ATOM 0 HB3 SER A 93 -5.369 7.890 11.771 1.00 0.00 H new ATOM 0 HG SER A 93 -5.053 7.555 14.021 1.00 0.00 H new ATOM 1427 N GLY A 94 -2.158 5.149 12.226 1.00 0.00 N ATOM 1428 CA GLY A 94 -1.677 3.977 12.959 1.00 0.00 C ATOM 1429 C GLY A 94 -0.417 3.374 12.341 1.00 0.00 C ATOM 1430 O GLY A 94 0.219 3.981 11.472 1.00 0.00 O ATOM 0 H GLY A 94 -1.495 5.925 12.225 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -1.472 4.258 13.992 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -2.462 3.221 12.984 1.00 0.00 H new ATOM 1434 N THR A 95 -0.027 2.191 12.805 1.00 0.00 N ATOM 1435 CA THR A 95 1.005 1.391 12.163 1.00 0.00 C ATOM 1436 C THR A 95 0.400 0.654 10.967 1.00 0.00 C ATOM 1437 O THR A 95 -0.823 0.591 10.809 1.00 0.00 O ATOM 1438 CB THR A 95 1.602 0.421 13.197 1.00 0.00 C ATOM 1439 OG1 THR A 95 0.583 -0.347 13.808 1.00 0.00 O ATOM 1440 CG2 THR A 95 2.342 1.185 14.296 1.00 0.00 C ATOM 0 H THR A 95 -0.421 1.760 13.641 1.00 0.00 H new ATOM 0 HA THR A 95 1.811 2.023 11.790 1.00 0.00 H new ATOM 0 HB THR A 95 2.295 -0.231 12.666 1.00 0.00 H new ATOM 0 HG1 THR A 95 0.982 -0.959 14.461 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.755 0.478 15.015 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.150 1.767 13.853 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.648 1.855 14.804 1.00 0.00 H new ATOM 1448 N VAL A 96 1.254 0.077 10.124 1.00 0.00 N ATOM 1449 CA VAL A 96 0.845 -0.648 8.929 1.00 0.00 C ATOM 1450 C VAL A 96 -0.111 -1.781 9.298 1.00 0.00 C ATOM 1451 O VAL A 96 -1.188 -1.883 8.716 1.00 0.00 O ATOM 1452 CB VAL A 96 2.091 -1.202 8.224 1.00 0.00 C ATOM 1453 CG1 VAL A 96 1.727 -2.079 7.027 1.00 0.00 C ATOM 1454 CG2 VAL A 96 3.000 -0.099 7.701 1.00 0.00 C ATOM 0 H VAL A 96 2.265 0.102 10.257 1.00 0.00 H new ATOM 0 HA VAL A 96 0.322 0.029 8.254 1.00 0.00 H new ATOM 0 HB VAL A 96 2.607 -1.786 8.986 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.638 -2.450 6.557 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.123 -2.922 7.364 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.160 -1.492 6.305 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.866 -0.543 7.211 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.453 0.514 6.985 1.00 0.00 H new ATOM 0 HG23 VAL A 96 3.332 0.523 8.532 1.00 0.00 H new ATOM 1464 N GLU A 97 0.298 -2.652 10.223 1.00 0.00 N ATOM 1465 CA GLU A 97 -0.460 -3.838 10.616 1.00 0.00 C ATOM 1466 C GLU A 97 -1.916 -3.462 10.960 1.00 0.00 C ATOM 1467 O GLU A 97 -2.860 -4.143 10.558 1.00 0.00 O ATOM 1468 CB GLU A 97 0.246 -4.556 11.778 1.00 0.00 C ATOM 1469 CG GLU A 97 0.562 -3.628 12.958 1.00 0.00 C ATOM 1470 CD GLU A 97 1.368 -4.287 14.075 1.00 0.00 C ATOM 1471 OE1 GLU A 97 0.816 -5.161 14.783 1.00 0.00 O ATOM 1472 OE2 GLU A 97 2.520 -3.856 14.303 1.00 0.00 O ATOM 0 H GLU A 97 1.179 -2.550 10.727 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.500 -4.533 9.777 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -0.383 -5.375 12.126 1.00 0.00 H new ATOM 0 HB3 GLU A 97 1.173 -4.999 11.414 1.00 0.00 H new ATOM 0 HG2 GLU A 97 1.114 -2.764 12.588 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -0.374 -3.255 13.373 1.00 0.00 H new ATOM 1479 N GLU A 98 -2.077 -2.333 11.653 1.00 0.00 N ATOM 1480 CA GLU A 98 -3.326 -1.843 12.217 1.00 0.00 C ATOM 1481 C GLU A 98 -4.170 -1.221 11.109 1.00 0.00 C ATOM 1482 O GLU A 98 -5.329 -1.584 10.931 1.00 0.00 O ATOM 1483 CB GLU A 98 -3.023 -0.825 13.329 1.00 0.00 C ATOM 1484 CG GLU A 98 -4.310 -0.359 14.023 1.00 0.00 C ATOM 1485 CD GLU A 98 -4.045 0.739 15.051 1.00 0.00 C ATOM 1486 OE1 GLU A 98 -3.296 0.485 16.023 1.00 0.00 O ATOM 1487 OE2 GLU A 98 -4.647 1.831 14.916 1.00 0.00 O ATOM 0 H GLU A 98 -1.295 -1.706 11.843 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.890 -2.666 12.656 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.353 -1.273 14.063 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -2.503 0.035 12.906 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -5.012 0.008 13.274 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.784 -1.209 14.515 1.00 0.00 H new ATOM 1494 N VAL A 99 -3.573 -0.330 10.315 1.00 0.00 N ATOM 1495 CA VAL A 99 -4.186 0.268 9.134 1.00 0.00 C ATOM 1496 C VAL A 99 -4.780 -0.816 8.216 1.00 0.00 C ATOM 1497 O VAL A 99 -5.807 -0.601 7.565 1.00 0.00 O ATOM 1498 CB VAL A 99 -3.093 1.121 8.447 1.00 0.00 C ATOM 1499 CG1 VAL A 99 -3.407 1.505 7.016 1.00 0.00 C ATOM 1500 CG2 VAL A 99 -2.907 2.465 9.159 1.00 0.00 C ATOM 0 H VAL A 99 -2.624 0.003 10.483 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.028 0.908 9.396 1.00 0.00 H new ATOM 0 HB VAL A 99 -2.214 0.478 8.487 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.589 2.101 6.611 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.530 0.603 6.416 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.328 2.087 6.989 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.132 3.041 8.653 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -3.845 3.021 9.138 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.611 2.291 10.194 1.00 0.00 H new ATOM 1510 N VAL A 100 -4.168 -1.997 8.170 1.00 0.00 N ATOM 1511 CA VAL A 100 -4.599 -3.075 7.301 1.00 0.00 C ATOM 1512 C VAL A 100 -5.738 -3.834 7.966 1.00 0.00 C ATOM 1513 O VAL A 100 -6.704 -4.165 7.273 1.00 0.00 O ATOM 1514 CB VAL A 100 -3.406 -3.972 6.944 1.00 0.00 C ATOM 1515 CG1 VAL A 100 -3.860 -5.237 6.212 1.00 0.00 C ATOM 1516 CG2 VAL A 100 -2.444 -3.228 6.011 1.00 0.00 C ATOM 0 H VAL A 100 -3.355 -2.228 8.740 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.981 -2.677 6.361 1.00 0.00 H new ATOM 0 HB VAL A 100 -2.917 -4.239 7.881 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.991 -5.851 5.973 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -4.540 -5.802 6.850 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.373 -4.960 5.291 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.602 -3.875 5.765 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.967 -2.950 5.096 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -2.078 -2.329 6.507 1.00 0.00 H new ATOM 1526 N ASN A 101 -5.656 -4.088 9.278 1.00 0.00 N ATOM 1527 CA ASN A 101 -6.780 -4.644 10.024 1.00 0.00 C ATOM 1528 C ASN A 101 -8.016 -3.790 9.772 1.00 0.00 C ATOM 1529 O ASN A 101 -9.057 -4.322 9.404 1.00 0.00 O ATOM 1530 CB ASN A 101 -6.489 -4.706 11.531 1.00 0.00 C ATOM 1531 CG ASN A 101 -5.969 -6.057 12.003 1.00 0.00 C ATOM 1532 OD1 ASN A 101 -4.893 -6.162 12.583 1.00 0.00 O ATOM 1533 ND2 ASN A 101 -6.703 -7.136 11.776 1.00 0.00 N ATOM 0 H ASN A 101 -4.822 -3.916 9.840 1.00 0.00 H new ATOM 0 HA ASN A 101 -6.948 -5.664 9.679 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -5.757 -3.938 11.782 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -7.401 -4.468 12.078 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -6.373 -8.051 12.083 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -7.598 -7.052 11.294 1.00 0.00 H new ATOM 1540 N GLN A 102 -7.884 -2.470 9.905 1.00 0.00 N ATOM 1541 CA GLN A 102 -8.996 -1.540 9.799 1.00 0.00 C ATOM 1542 C GLN A 102 -9.693 -1.642 8.435 1.00 0.00 C ATOM 1543 O GLN A 102 -10.924 -1.599 8.354 1.00 0.00 O ATOM 1544 CB GLN A 102 -8.503 -0.116 10.050 1.00 0.00 C ATOM 1545 CG GLN A 102 -8.002 0.075 11.489 1.00 0.00 C ATOM 1546 CD GLN A 102 -9.148 0.460 12.418 1.00 0.00 C ATOM 1547 OE1 GLN A 102 -9.661 1.577 12.372 1.00 0.00 O ATOM 1548 NE2 GLN A 102 -9.625 -0.460 13.235 1.00 0.00 N ATOM 0 H GLN A 102 -6.990 -2.017 10.091 1.00 0.00 H new ATOM 0 HA GLN A 102 -9.734 -1.803 10.557 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -7.699 0.117 9.352 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -9.311 0.588 9.851 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -7.537 -0.846 11.841 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -7.235 0.849 11.511 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -9.195 -1.384 13.269 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -10.423 -0.247 13.833 1.00 0.00 H new ATOM 1557 N TYR A 103 -8.921 -1.762 7.349 1.00 0.00 N ATOM 1558 CA TYR A 103 -9.455 -1.977 6.014 1.00 0.00 C ATOM 1559 C TYR A 103 -10.147 -3.320 5.902 1.00 0.00 C ATOM 1560 O TYR A 103 -11.292 -3.357 5.448 1.00 0.00 O ATOM 1561 CB TYR A 103 -8.344 -1.873 4.978 1.00 0.00 C ATOM 1562 CG TYR A 103 -8.736 -2.383 3.599 1.00 0.00 C ATOM 1563 CD1 TYR A 103 -9.736 -1.719 2.867 1.00 0.00 C ATOM 1564 CD2 TYR A 103 -8.173 -3.569 3.087 1.00 0.00 C ATOM 1565 CE1 TYR A 103 -10.152 -2.215 1.619 1.00 0.00 C ATOM 1566 CE2 TYR A 103 -8.594 -4.079 1.843 1.00 0.00 C ATOM 1567 CZ TYR A 103 -9.580 -3.392 1.094 1.00 0.00 C ATOM 1568 OH TYR A 103 -9.979 -3.836 -0.133 1.00 0.00 O ATOM 0 H TYR A 103 -7.903 -1.711 7.380 1.00 0.00 H new ATOM 0 HA TYR A 103 -10.196 -1.201 5.824 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -8.035 -0.831 4.895 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -7.479 -2.435 5.330 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -10.187 -0.823 3.266 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -7.414 -4.090 3.652 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -10.913 -1.692 1.060 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -8.165 -4.993 1.461 1.00 0.00 H new ATOM 0 HH TYR A 103 -9.494 -4.657 -0.357 1.00 0.00 H new ATOM 1578 N LEU A 104 -9.468 -4.399 6.303 1.00 0.00 N ATOM 1579 CA LEU A 104 -9.994 -5.755 6.214 1.00 0.00 C ATOM 1580 C LEU A 104 -11.273 -5.903 7.042 1.00 0.00 C ATOM 1581 O LEU A 104 -12.115 -6.741 6.714 1.00 0.00 O ATOM 1582 CB LEU A 104 -8.961 -6.773 6.731 1.00 0.00 C ATOM 1583 CG LEU A 104 -7.735 -7.012 5.831 1.00 0.00 C ATOM 1584 CD1 LEU A 104 -6.804 -8.007 6.535 1.00 0.00 C ATOM 1585 CD2 LEU A 104 -8.147 -7.526 4.448 1.00 0.00 C ATOM 0 H LEU A 104 -8.530 -4.350 6.701 1.00 0.00 H new ATOM 0 HA LEU A 104 -10.214 -5.948 5.164 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.610 -6.439 7.707 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.466 -7.727 6.883 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.213 -6.068 5.671 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.928 -8.189 5.912 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.488 -7.594 7.493 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.333 -8.945 6.701 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.257 -7.684 3.839 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -8.685 -8.468 4.555 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.792 -6.792 3.965 1.00 0.00 H new ATOM 1597 N SER A 105 -11.429 -5.089 8.087 1.00 0.00 N ATOM 1598 CA SER A 105 -12.586 -5.089 8.973 1.00 0.00 C ATOM 1599 C SER A 105 -13.681 -4.147 8.448 1.00 0.00 C ATOM 1600 O SER A 105 -14.744 -4.038 9.060 1.00 0.00 O ATOM 1601 CB SER A 105 -12.118 -4.753 10.400 1.00 0.00 C ATOM 1602 OG SER A 105 -12.926 -5.371 11.385 1.00 0.00 O ATOM 0 H SER A 105 -10.731 -4.392 8.345 1.00 0.00 H new ATOM 0 HA SER A 105 -13.045 -6.078 9.000 1.00 0.00 H new ATOM 0 HB2 SER A 105 -11.084 -5.073 10.527 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.137 -3.672 10.542 1.00 0.00 H new ATOM 0 HG SER A 105 -12.594 -5.134 12.276 1.00 0.00 H new ATOM 1608 N GLY A 106 -13.475 -3.479 7.305 1.00 0.00 N ATOM 1609 CA GLY A 106 -14.518 -2.701 6.647 1.00 0.00 C ATOM 1610 C GLY A 106 -14.678 -1.294 7.222 1.00 0.00 C ATOM 1611 O GLY A 106 -15.614 -0.588 6.843 1.00 0.00 O ATOM 0 H GLY A 106 -12.580 -3.466 6.816 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -14.290 -2.627 5.584 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -15.466 -3.231 6.734 1.00 0.00 H new ATOM 1615 N GLN A 107 -13.802 -0.870 8.138 1.00 0.00 N ATOM 1616 CA GLN A 107 -13.863 0.465 8.723 1.00 0.00 C ATOM 1617 C GLN A 107 -13.423 1.494 7.686 1.00 0.00 C ATOM 1618 O GLN A 107 -14.074 2.521 7.493 1.00 0.00 O ATOM 1619 CB GLN A 107 -12.954 0.563 9.966 1.00 0.00 C ATOM 1620 CG GLN A 107 -13.146 -0.521 11.040 1.00 0.00 C ATOM 1621 CD GLN A 107 -14.495 -0.433 11.751 1.00 0.00 C ATOM 1622 OE1 GLN A 107 -15.546 -0.312 11.127 1.00 0.00 O ATOM 1623 NE2 GLN A 107 -14.530 -0.484 13.068 1.00 0.00 N ATOM 0 H GLN A 107 -13.035 -1.443 8.491 1.00 0.00 H new ATOM 0 HA GLN A 107 -14.890 0.663 9.030 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -11.916 0.535 9.634 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -13.114 1.536 10.430 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -13.050 -1.503 10.577 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -12.348 -0.438 11.778 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -13.664 -0.584 13.598 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -15.423 -0.423 13.557 1.00 0.00 H new ATOM 1632 N LEU A 108 -12.286 1.213 7.050 1.00 0.00 N ATOM 1633 CA LEU A 108 -11.534 2.148 6.229 1.00 0.00 C ATOM 1634 C LEU A 108 -12.152 2.217 4.845 1.00 0.00 C ATOM 1635 O LEU A 108 -12.430 1.177 4.236 1.00 0.00 O ATOM 1636 CB LEU A 108 -10.079 1.668 6.145 1.00 0.00 C ATOM 1637 CG LEU A 108 -9.003 2.680 6.560 1.00 0.00 C ATOM 1638 CD1 LEU A 108 -9.197 3.227 7.979 1.00 0.00 C ATOM 1639 CD2 LEU A 108 -7.659 1.962 6.481 1.00 0.00 C ATOM 0 H LEU A 108 -11.851 0.292 7.097 1.00 0.00 H new ATOM 0 HA LEU A 108 -11.560 3.145 6.669 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -9.975 0.782 6.771 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.880 1.359 5.119 1.00 0.00 H new ATOM 0 HG LEU A 108 -9.062 3.538 5.891 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -8.402 3.937 8.207 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -10.162 3.729 8.047 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -9.165 2.404 8.694 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -6.862 2.648 6.769 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -7.663 1.107 7.157 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -7.490 1.618 5.461 1.00 0.00 H new ATOM 1651 N LYS A 109 -12.312 3.437 4.340 1.00 0.00 N ATOM 1652 CA LYS A 109 -12.947 3.723 3.057 1.00 0.00 C ATOM 1653 C LYS A 109 -12.280 4.906 2.367 1.00 0.00 C ATOM 1654 O LYS A 109 -11.701 5.775 3.013 1.00 0.00 O ATOM 1655 CB LYS A 109 -14.451 3.991 3.289 1.00 0.00 C ATOM 1656 CG LYS A 109 -15.305 3.718 2.042 1.00 0.00 C ATOM 1657 CD LYS A 109 -15.384 2.216 1.720 1.00 0.00 C ATOM 1658 CE LYS A 109 -15.347 1.958 0.207 1.00 0.00 C ATOM 1659 NZ LYS A 109 -16.608 2.304 -0.478 1.00 0.00 N ATOM 0 H LYS A 109 -11.995 4.277 4.825 1.00 0.00 H new ATOM 0 HA LYS A 109 -12.832 2.862 2.399 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -14.804 3.366 4.109 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -14.587 5.028 3.597 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -16.310 4.110 2.197 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -14.884 4.251 1.189 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -14.553 1.697 2.198 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -16.302 1.802 2.138 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -14.533 2.535 -0.233 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -15.123 0.906 0.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -16.516 2.106 -1.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -17.385 1.736 -0.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -16.813 3.314 -0.339 1.00 0.00 H new ATOM 1673 N ASP A 110 -12.341 4.939 1.041 1.00 0.00 N ATOM 1674 CA ASP A 110 -11.728 5.927 0.151 1.00 0.00 C ATOM 1675 C ASP A 110 -12.636 7.105 -0.171 1.00 0.00 C ATOM 1676 O ASP A 110 -12.300 7.939 -1.007 1.00 0.00 O ATOM 1677 CB ASP A 110 -11.301 5.228 -1.148 1.00 0.00 C ATOM 1678 CG ASP A 110 -12.493 4.674 -1.920 1.00 0.00 C ATOM 1679 OD1 ASP A 110 -13.183 3.792 -1.360 1.00 0.00 O ATOM 1680 OD2 ASP A 110 -12.717 5.100 -3.077 1.00 0.00 O ATOM 0 H ASP A 110 -12.855 4.228 0.520 1.00 0.00 H new ATOM 0 HA ASP A 110 -10.868 6.342 0.676 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -10.758 5.934 -1.777 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -10.613 4.416 -0.913 1.00 0.00 H new ATOM 1685 N SER A 111 -13.715 7.266 0.568 1.00 0.00 N ATOM 1686 CA SER A 111 -14.759 8.247 0.298 1.00 0.00 C ATOM 1687 C SER A 111 -14.424 9.612 0.928 1.00 0.00 C ATOM 1688 O SER A 111 -15.140 10.126 1.788 1.00 0.00 O ATOM 1689 CB SER A 111 -16.107 7.656 0.723 1.00 0.00 C ATOM 1690 OG SER A 111 -16.024 6.875 1.909 1.00 0.00 O ATOM 0 H SER A 111 -13.900 6.704 1.399 1.00 0.00 H new ATOM 0 HA SER A 111 -14.825 8.458 -0.769 1.00 0.00 H new ATOM 0 HB2 SER A 111 -16.820 8.466 0.878 1.00 0.00 H new ATOM 0 HB3 SER A 111 -16.497 7.038 -0.086 1.00 0.00 H new ATOM 0 HG SER A 111 -16.912 6.525 2.133 1.00 0.00 H new ATOM 1696 N ASP A 112 -13.302 10.195 0.508 1.00 0.00 N ATOM 1697 CA ASP A 112 -12.745 11.458 1.002 1.00 0.00 C ATOM 1698 C ASP A 112 -11.939 12.059 -0.133 1.00 0.00 C ATOM 1699 O ASP A 112 -10.713 11.930 -0.149 1.00 0.00 O ATOM 1700 CB ASP A 112 -11.877 11.170 2.243 1.00 0.00 C ATOM 1701 CG ASP A 112 -11.145 12.369 2.867 1.00 0.00 C ATOM 1702 OD1 ASP A 112 -9.992 12.679 2.480 1.00 0.00 O ATOM 1703 OD2 ASP A 112 -11.663 12.916 3.861 1.00 0.00 O ATOM 0 H ASP A 112 -12.726 9.779 -0.224 1.00 0.00 H new ATOM 0 HA ASP A 112 -13.518 12.164 1.306 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -12.514 10.725 3.008 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -11.133 10.421 1.972 1.00 0.00 H new ATOM 1708 N TYR A 113 -12.603 12.543 -1.186 1.00 0.00 N ATOM 1709 CA TYR A 113 -11.910 13.167 -2.310 1.00 0.00 C ATOM 1710 C TYR A 113 -12.864 13.929 -3.221 1.00 0.00 C ATOM 1711 O TYR A 113 -14.072 13.861 -3.047 1.00 0.00 O ATOM 1712 CB TYR A 113 -11.110 12.121 -3.118 1.00 0.00 C ATOM 1713 CG TYR A 113 -9.720 12.592 -3.527 1.00 0.00 C ATOM 1714 CD1 TYR A 113 -8.834 13.101 -2.558 1.00 0.00 C ATOM 1715 CD2 TYR A 113 -9.295 12.512 -4.865 1.00 0.00 C ATOM 1716 CE1 TYR A 113 -7.532 13.489 -2.902 1.00 0.00 C ATOM 1717 CE2 TYR A 113 -8.006 12.937 -5.234 1.00 0.00 C ATOM 1718 CZ TYR A 113 -7.110 13.413 -4.247 1.00 0.00 C ATOM 1719 OH TYR A 113 -5.864 13.848 -4.581 1.00 0.00 O ATOM 0 H TYR A 113 -13.618 12.514 -1.281 1.00 0.00 H new ATOM 0 HA TYR A 113 -11.212 13.891 -1.889 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -11.015 11.212 -2.524 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -11.673 11.859 -4.014 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -9.163 13.194 -1.534 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -9.965 12.121 -5.616 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -6.854 13.845 -2.141 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -7.700 12.900 -6.269 1.00 0.00 H new ATOM 0 HH TYR A 113 -5.259 13.723 -3.820 1.00 0.00 H new ATOM 1729 N GLU A 114 -12.291 14.642 -4.199 1.00 0.00 N ATOM 1730 CA GLU A 114 -12.975 15.363 -5.283 1.00 0.00 C ATOM 1731 C GLU A 114 -14.021 16.373 -4.796 1.00 0.00 C ATOM 1732 O GLU A 114 -14.943 16.779 -5.509 1.00 0.00 O ATOM 1733 CB GLU A 114 -13.490 14.376 -6.345 1.00 0.00 C ATOM 1734 CG GLU A 114 -12.378 13.403 -6.768 1.00 0.00 C ATOM 1735 CD GLU A 114 -12.606 12.826 -8.155 1.00 0.00 C ATOM 1736 OE1 GLU A 114 -12.441 13.589 -9.135 1.00 0.00 O ATOM 1737 OE2 GLU A 114 -12.832 11.607 -8.296 1.00 0.00 O ATOM 0 H GLU A 114 -11.277 14.737 -4.259 1.00 0.00 H new ATOM 0 HA GLU A 114 -12.235 15.997 -5.772 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -14.338 13.817 -5.948 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -13.850 14.925 -7.215 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -11.419 13.921 -6.747 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -12.317 12.589 -6.045 1.00 0.00 H new ATOM 1744 N VAL A 115 -13.818 16.833 -3.570 1.00 0.00 N ATOM 1745 CA VAL A 115 -14.750 17.592 -2.756 1.00 0.00 C ATOM 1746 C VAL A 115 -14.288 19.058 -2.721 1.00 0.00 C ATOM 1747 O VAL A 115 -14.219 19.704 -1.678 1.00 0.00 O ATOM 1748 CB VAL A 115 -14.929 16.829 -1.421 1.00 0.00 C ATOM 1749 CG1 VAL A 115 -13.623 16.658 -0.627 1.00 0.00 C ATOM 1750 CG2 VAL A 115 -16.043 17.402 -0.546 1.00 0.00 C ATOM 0 H VAL A 115 -12.935 16.673 -3.086 1.00 0.00 H new ATOM 0 HA VAL A 115 -15.762 17.668 -3.153 1.00 0.00 H new ATOM 0 HB VAL A 115 -15.241 15.828 -1.721 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -13.827 16.115 0.296 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -12.904 16.099 -1.226 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -13.212 17.639 -0.387 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -16.117 16.823 0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -15.818 18.441 -0.304 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -16.990 17.352 -1.083 1.00 0.00 H new ATOM 1760 N HIS A 116 -13.968 19.587 -3.910 1.00 0.00 N ATOM 1761 CA HIS A 116 -13.491 20.947 -4.159 1.00 0.00 C ATOM 1762 C HIS A 116 -12.073 21.130 -3.603 1.00 0.00 C ATOM 1763 O HIS A 116 -11.892 21.433 -2.421 1.00 0.00 O ATOM 1764 CB HIS A 116 -14.510 21.988 -3.656 1.00 0.00 C ATOM 1765 CG HIS A 116 -14.603 23.186 -4.555 1.00 0.00 C ATOM 1766 ND1 HIS A 116 -15.447 23.303 -5.643 1.00 0.00 N ATOM 1767 CD2 HIS A 116 -13.891 24.343 -4.429 1.00 0.00 C ATOM 1768 CE1 HIS A 116 -15.249 24.525 -6.175 1.00 0.00 C ATOM 1769 NE2 HIS A 116 -14.306 25.166 -5.456 1.00 0.00 N ATOM 0 H HIS A 116 -14.041 19.043 -4.770 1.00 0.00 H new ATOM 0 HA HIS A 116 -13.412 21.116 -5.233 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -15.492 21.521 -3.577 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -14.229 22.311 -2.654 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -13.151 24.569 -3.676 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -15.762 24.926 -7.037 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -13.956 26.106 -5.641 1.00 0.00 H new ATOM 1778 N ASP A 117 -11.048 20.905 -4.427 1.00 0.00 N ATOM 1779 CA ASP A 117 -9.644 20.888 -4.001 1.00 0.00 C ATOM 1780 C ASP A 117 -8.721 21.392 -5.124 1.00 0.00 C ATOM 1781 O ASP A 117 -9.217 21.778 -6.185 1.00 0.00 O ATOM 1782 CB ASP A 117 -9.286 19.468 -3.540 1.00 0.00 C ATOM 1783 CG ASP A 117 -8.064 19.494 -2.637 1.00 0.00 C ATOM 1784 OD1 ASP A 117 -6.941 19.417 -3.181 1.00 0.00 O ATOM 1785 OD2 ASP A 117 -8.242 19.654 -1.408 1.00 0.00 O ATOM 0 H ASP A 117 -11.170 20.727 -5.424 1.00 0.00 H new ATOM 0 HA ASP A 117 -9.500 21.570 -3.163 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -10.130 19.029 -3.008 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -9.092 18.836 -4.407 1.00 0.00 H new ATOM 1790 N HIS A 118 -7.398 21.468 -4.914 1.00 0.00 N ATOM 1791 CA HIS A 118 -6.418 21.673 -5.985 1.00 0.00 C ATOM 1792 C HIS A 118 -5.026 21.109 -5.661 1.00 0.00 C ATOM 1793 O HIS A 118 -4.416 20.530 -6.556 1.00 0.00 O ATOM 1794 CB HIS A 118 -6.347 23.142 -6.446 1.00 0.00 C ATOM 1795 CG HIS A 118 -6.264 24.210 -5.375 1.00 0.00 C ATOM 1796 ND1 HIS A 118 -7.340 24.751 -4.693 1.00 0.00 N ATOM 1797 CD2 HIS A 118 -5.136 24.874 -4.971 1.00 0.00 C ATOM 1798 CE1 HIS A 118 -6.865 25.697 -3.862 1.00 0.00 C ATOM 1799 NE2 HIS A 118 -5.531 25.797 -4.020 1.00 0.00 N ATOM 0 H HIS A 118 -6.978 21.388 -3.988 1.00 0.00 H new ATOM 0 HA HIS A 118 -6.790 21.088 -6.827 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -5.478 23.249 -7.095 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -7.227 23.346 -7.056 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -4.130 24.708 -5.327 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -7.459 26.283 -3.177 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -4.917 26.443 -3.523 1.00 0.00 H new ATOM 1808 N HIS A 119 -4.512 21.262 -4.433 1.00 0.00 N ATOM 1809 CA HIS A 119 -3.192 20.799 -3.962 1.00 0.00 C ATOM 1810 C HIS A 119 -2.060 20.945 -5.002 1.00 0.00 C ATOM 1811 O HIS A 119 -1.660 19.954 -5.620 1.00 0.00 O ATOM 1812 CB HIS A 119 -3.277 19.346 -3.437 1.00 0.00 C ATOM 1813 CG HIS A 119 -4.078 19.129 -2.172 1.00 0.00 C ATOM 1814 ND1 HIS A 119 -4.658 17.931 -1.780 1.00 0.00 N ATOM 1815 CD2 HIS A 119 -4.379 20.067 -1.222 1.00 0.00 C ATOM 1816 CE1 HIS A 119 -5.315 18.149 -0.628 1.00 0.00 C ATOM 1817 NE2 HIS A 119 -5.142 19.432 -0.265 1.00 0.00 N ATOM 0 H HIS A 119 -5.033 21.739 -3.697 1.00 0.00 H new ATOM 0 HA HIS A 119 -2.921 21.465 -3.143 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -3.706 18.724 -4.223 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -2.263 18.986 -3.264 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -4.077 21.104 -1.222 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -5.888 17.414 -0.083 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -5.514 19.865 0.580 1.00 0.00 H new ATOM 1826 N HIS A 120 -1.458 22.135 -5.143 1.00 0.00 N ATOM 1827 CA HIS A 120 -0.271 22.349 -5.994 1.00 0.00 C ATOM 1828 C HIS A 120 0.997 22.566 -5.155 1.00 0.00 C ATOM 1829 O HIS A 120 0.881 22.779 -3.949 1.00 0.00 O ATOM 1830 CB HIS A 120 -0.550 23.462 -7.027 1.00 0.00 C ATOM 1831 CG HIS A 120 -0.284 24.914 -6.650 1.00 0.00 C ATOM 1832 ND1 HIS A 120 0.927 25.500 -6.277 1.00 0.00 N ATOM 1833 CD2 HIS A 120 -1.173 25.932 -6.871 1.00 0.00 C ATOM 1834 CE1 HIS A 120 0.745 26.832 -6.232 1.00 0.00 C ATOM 1835 NE2 HIS A 120 -0.518 27.116 -6.594 1.00 0.00 N ATOM 0 H HIS A 120 -1.779 22.980 -4.670 1.00 0.00 H new ATOM 0 HA HIS A 120 -0.070 21.444 -6.567 1.00 0.00 H new ATOM 0 HB2 HIS A 120 0.042 23.241 -7.915 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -1.598 23.385 -7.316 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -2.196 25.828 -7.201 1.00 0.00 H new ATOM 0 HE1 HIS A 120 1.494 27.557 -5.950 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -0.925 28.050 -6.654 1.00 0.00 H new ATOM 1844 N HIS A 121 2.190 22.562 -5.764 1.00 0.00 N ATOM 1845 CA HIS A 121 3.396 23.207 -5.218 1.00 0.00 C ATOM 1846 C HIS A 121 4.268 23.644 -6.397 1.00 0.00 C ATOM 1847 O HIS A 121 4.028 24.734 -6.910 1.00 0.00 O ATOM 1848 CB HIS A 121 4.137 22.361 -4.157 1.00 0.00 C ATOM 1849 CG HIS A 121 3.993 22.904 -2.752 1.00 0.00 C ATOM 1850 ND1 HIS A 121 4.860 23.776 -2.112 1.00 0.00 N ATOM 1851 CD2 HIS A 121 2.996 22.591 -1.871 1.00 0.00 C ATOM 1852 CE1 HIS A 121 4.381 23.994 -0.874 1.00 0.00 C ATOM 1853 NE2 HIS A 121 3.244 23.298 -0.711 1.00 0.00 N ATOM 0 H HIS A 121 2.349 22.105 -6.662 1.00 0.00 H new ATOM 0 HA HIS A 121 3.106 24.088 -4.645 1.00 0.00 H new ATOM 0 HB2 HIS A 121 3.756 21.340 -4.185 1.00 0.00 H new ATOM 0 HB3 HIS A 121 5.195 22.314 -4.414 1.00 0.00 H new ATOM 0 HD2 HIS A 121 2.170 21.918 -2.049 1.00 0.00 H new ATOM 0 HE1 HIS A 121 4.838 24.628 -0.129 1.00 0.00 H new ATOM 0 HE2 HIS A 121 2.663 23.293 0.127 1.00 0.00 H new ATOM 1862 N GLU A 122 5.167 22.802 -6.902 1.00 0.00 N ATOM 1863 CA GLU A 122 6.199 23.136 -7.890 1.00 0.00 C ATOM 1864 C GLU A 122 6.350 21.945 -8.852 1.00 0.00 C ATOM 1865 O GLU A 122 6.287 20.802 -8.390 1.00 0.00 O ATOM 1866 CB GLU A 122 7.500 23.381 -7.102 1.00 0.00 C ATOM 1867 CG GLU A 122 8.659 23.933 -7.942 1.00 0.00 C ATOM 1868 CD GLU A 122 10.005 23.807 -7.219 1.00 0.00 C ATOM 1869 OE1 GLU A 122 10.083 24.073 -5.995 1.00 0.00 O ATOM 1870 OE2 GLU A 122 11.002 23.393 -7.857 1.00 0.00 O ATOM 0 H GLU A 122 5.200 21.822 -6.623 1.00 0.00 H new ATOM 0 HA GLU A 122 5.948 24.020 -8.477 1.00 0.00 H new ATOM 0 HB2 GLU A 122 7.292 24.078 -6.290 1.00 0.00 H new ATOM 0 HB3 GLU A 122 7.814 22.443 -6.644 1.00 0.00 H new ATOM 0 HG2 GLU A 122 8.706 23.398 -8.891 1.00 0.00 H new ATOM 0 HG3 GLU A 122 8.470 24.981 -8.176 1.00 0.00 H new ATOM 1877 N HIS A 123 6.547 22.170 -10.160 1.00 0.00 N ATOM 1878 CA HIS A 123 6.751 21.089 -11.137 1.00 0.00 C ATOM 1879 C HIS A 123 8.147 20.453 -11.007 1.00 0.00 C ATOM 1880 O HIS A 123 8.848 20.726 -10.028 1.00 0.00 O ATOM 1881 CB HIS A 123 6.358 21.523 -12.567 1.00 0.00 C ATOM 1882 CG HIS A 123 7.452 22.149 -13.401 1.00 0.00 C ATOM 1883 ND1 HIS A 123 8.272 23.201 -13.031 1.00 0.00 N ATOM 1884 CD2 HIS A 123 7.829 21.731 -14.651 1.00 0.00 C ATOM 1885 CE1 HIS A 123 9.142 23.402 -14.038 1.00 0.00 C ATOM 1886 NE2 HIS A 123 8.883 22.535 -15.034 1.00 0.00 N ATOM 0 H HIS A 123 6.569 23.104 -10.570 1.00 0.00 H new ATOM 0 HA HIS A 123 6.061 20.280 -10.899 1.00 0.00 H new ATOM 0 HB2 HIS A 123 5.980 20.649 -13.098 1.00 0.00 H new ATOM 0 HB3 HIS A 123 5.534 22.233 -12.495 1.00 0.00 H new ATOM 0 HD2 HIS A 123 7.387 20.929 -15.224 1.00 0.00 H new ATOM 0 HE1 HIS A 123 9.927 24.144 -14.046 1.00 0.00 H new ATOM 0 HE2 HIS A 123 9.382 22.481 -15.922 1.00 0.00 H new ATOM 1895 N HIS A 124 8.509 19.534 -11.908 1.00 0.00 N ATOM 1896 CA HIS A 124 9.858 18.976 -11.939 1.00 0.00 C ATOM 1897 C HIS A 124 10.816 20.092 -12.342 1.00 0.00 C ATOM 1898 O HIS A 124 10.658 20.636 -13.452 1.00 0.00 O ATOM 1899 CB HIS A 124 9.938 17.782 -12.906 1.00 0.00 C ATOM 1900 CG HIS A 124 11.276 17.061 -12.941 1.00 0.00 C ATOM 1901 ND1 HIS A 124 11.602 16.017 -13.793 1.00 0.00 N ATOM 1902 CD2 HIS A 124 12.377 17.323 -12.166 1.00 0.00 C ATOM 1903 CE1 HIS A 124 12.880 15.666 -13.539 1.00 0.00 C ATOM 1904 NE2 HIS A 124 13.371 16.451 -12.560 1.00 0.00 N ATOM 0 H HIS A 124 7.884 19.163 -12.624 1.00 0.00 H new ATOM 0 HA HIS A 124 10.133 18.595 -10.956 1.00 0.00 H new ATOM 0 HB2 HIS A 124 9.164 17.064 -12.635 1.00 0.00 H new ATOM 0 HB3 HIS A 124 9.708 18.134 -13.911 1.00 0.00 H new ATOM 0 HD2 HIS A 124 12.452 18.072 -11.392 1.00 0.00 H new ATOM 0 HE1 HIS A 124 13.424 14.880 -14.041 1.00 0.00 H new ATOM 0 HE2 HIS A 124 14.315 16.408 -12.176 1.00 0.00 H new TER 1913 HIS A 124