USER MOD reduce.3.24.130724 H: found=0, std=0, add=1296, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1286 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 71 GLN : amide:sc= 1.6 X(o=2.1,f=2) USER MOD Set 1.2: B 78 SER OG : rot 91:sc= 0.469 USER MOD Set 2.1: A 74 MET CE :methyl -153:sc= -0.18 (180deg=-0.67) USER MOD Set 2.2: B 74 MET CE :methyl -152:sc= -0.176 (180deg=-0.646) USER MOD Set 3.1: A 78 SER OG : rot 90:sc= 0.456 USER MOD Set 3.2: B 71 GLN : amide:sc= 1.6 X(o=2.1,f=1.8) USER MOD Set 4.1: A 81 THR OG1 : rot 105:sc= 1.19 USER MOD Set 4.2: B 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.2: B 81 THR OG1 : rot 103:sc= 1.24 USER MOD Single : A 1 SER N :NH3+ -138:sc= 1.2 (180deg=0.229) USER MOD Single : A 1 SER OG : rot 150:sc= 0.00141 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.0136 X(o=-0.014,f=-0.12) USER MOD Single : A 16 GLN : amide:sc= -5.93! C(o=-5.9!,f=-7.5!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 66:sc= 1.07 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -2.18 K(o=-2.2,f=-3.4!) USER MOD Single : A 26 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.257) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.575) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 163:sc= -0.416 (180deg=-0.718) USER MOD Single : A 37 ASN : amide:sc= -0.49 X(o=-0.49,f=-0.39) USER MOD Single : A 38 ASN : amide:sc=-0.00496 X(o=-0.005,f=-0.029) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.00069) USER MOD Single : A 48 LYS NZ :NH3+ -164:sc= -0.0142 (180deg=-0.415) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 55 LYS NZ :NH3+ 137:sc= 0.149 (180deg=-0.875) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 86:sc= 1.31 USER MOD Single : A 68 CYS SG : rot -76:sc= -2.29! USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -73:sc= 0.475 USER MOD Single : B 1 SER N :NH3+ -138:sc= 1.2 (180deg=0.215) USER MOD Single : B 1 SER OG : rot 150:sc= 0.00138 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : B 16 GLN : amide:sc= -5.88! C(o=-5.9!,f=-7.4!) USER MOD Single : B 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 18 SER OG : rot 70:sc= 1.03 USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 HIS : no HD1:sc= -2.06 K(o=-2.1,f=-3.3!) USER MOD Single : B 26 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.214) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.604) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ 162:sc= -0.382 (180deg=-0.716) USER MOD Single : B 37 ASN : amide:sc= -0.462 X(o=-0.46,f=-0.39) USER MOD Single : B 38 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 48 LYS NZ :NH3+ -159:sc= -0.0265 (180deg=-0.42) USER MOD Single : B 50 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : B 55 LYS NZ :NH3+ 137:sc= 0.135 (180deg=-0.93) USER MOD Single : B 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 59 THR OG1 : rot 86:sc= 1.22 USER MOD Single : B 68 CYS SG : rot -81:sc= -2.43! USER MOD Single : B 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 82 THR OG1 : rot -75:sc= 0.513 USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 1 -10.712 4.583 12.642 1.00 0.00 N ATOM 21 CA SER A 1 -10.832 3.100 12.653 1.00 0.00 C ATOM 22 C SER A 1 -9.443 2.490 12.844 1.00 0.00 C ATOM 23 O SER A 1 -8.445 3.183 12.820 1.00 0.00 O ATOM 24 CB SER A 1 -11.425 2.618 11.328 1.00 0.00 C ATOM 25 OG SER A 1 -10.400 2.573 10.344 1.00 0.00 O ATOM 0 H1 SER A 1 -11.488 4.998 13.196 1.00 0.00 H new ATOM 0 H2 SER A 1 -9.801 4.861 13.060 1.00 0.00 H new ATOM 0 H3 SER A 1 -10.762 4.928 11.662 1.00 0.00 H new ATOM 0 HA SER A 1 -11.487 2.792 13.468 1.00 0.00 H new ATOM 0 HB2 SER A 1 -11.869 1.630 11.453 1.00 0.00 H new ATOM 0 HB3 SER A 1 -12.223 3.288 11.008 1.00 0.00 H new ATOM 0 HG SER A 1 -10.600 1.867 9.695 1.00 0.00 H new ATOM 31 N GLU A 2 -9.364 1.203 13.038 1.00 0.00 N ATOM 32 CA GLU A 2 -8.031 0.572 13.232 1.00 0.00 C ATOM 33 C GLU A 2 -7.203 0.733 11.957 1.00 0.00 C ATOM 34 O GLU A 2 -6.000 0.887 11.999 1.00 0.00 O ATOM 35 CB GLU A 2 -8.207 -0.915 13.545 1.00 0.00 C ATOM 36 CG GLU A 2 -9.145 -1.077 14.742 1.00 0.00 C ATOM 37 CD GLU A 2 -9.346 -2.565 15.035 1.00 0.00 C ATOM 38 OE1 GLU A 2 -8.556 -3.113 15.786 1.00 0.00 O ATOM 39 OE2 GLU A 2 -10.287 -3.131 14.503 1.00 0.00 O ATOM 0 H GLU A 2 -10.159 0.565 13.070 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.518 1.056 14.063 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.614 -1.434 12.678 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.240 -1.369 13.763 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.727 -0.577 15.615 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -10.104 -0.604 14.532 1.00 0.00 H new ATOM 46 N LEU A 3 -7.838 0.692 10.819 1.00 0.00 N ATOM 47 CA LEU A 3 -7.084 0.838 9.543 1.00 0.00 C ATOM 48 C LEU A 3 -6.324 2.170 9.553 1.00 0.00 C ATOM 49 O LEU A 3 -5.131 2.216 9.328 1.00 0.00 O ATOM 50 CB LEU A 3 -8.078 0.799 8.366 1.00 0.00 C ATOM 51 CG LEU A 3 -7.388 0.304 7.085 1.00 0.00 C ATOM 52 CD1 LEU A 3 -8.445 0.052 6.006 1.00 0.00 C ATOM 53 CD2 LEU A 3 -6.392 1.358 6.586 1.00 0.00 C ATOM 0 H LEU A 3 -8.845 0.564 10.717 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.368 0.024 9.434 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.913 0.143 8.611 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.492 1.794 8.200 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.852 -0.620 7.300 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.959 -0.299 5.096 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -9.149 -0.703 6.356 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.980 0.978 5.797 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.907 0.999 5.678 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.921 2.287 6.372 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.638 1.538 7.353 1.00 0.00 H new ATOM 65 N GLU A 4 -7.006 3.253 9.810 1.00 0.00 N ATOM 66 CA GLU A 4 -6.323 4.576 9.828 1.00 0.00 C ATOM 67 C GLU A 4 -5.114 4.529 10.766 1.00 0.00 C ATOM 68 O GLU A 4 -4.029 4.953 10.425 1.00 0.00 O ATOM 69 CB GLU A 4 -7.303 5.646 10.308 1.00 0.00 C ATOM 70 CG GLU A 4 -8.462 5.756 9.314 1.00 0.00 C ATOM 71 CD GLU A 4 -9.606 6.545 9.950 1.00 0.00 C ATOM 72 OE1 GLU A 4 -9.418 7.723 10.204 1.00 0.00 O ATOM 73 OE2 GLU A 4 -10.651 5.957 10.174 1.00 0.00 O ATOM 0 H GLU A 4 -8.006 3.278 10.008 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.982 4.817 8.821 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.681 5.391 11.298 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.795 6.606 10.399 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.127 6.251 8.402 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.806 4.762 9.029 1.00 0.00 H new ATOM 80 N LYS A 5 -5.298 3.996 11.946 1.00 0.00 N ATOM 81 CA LYS A 5 -4.169 3.899 12.915 1.00 0.00 C ATOM 82 C LYS A 5 -2.951 3.306 12.214 1.00 0.00 C ATOM 83 O LYS A 5 -1.835 3.762 12.368 1.00 0.00 O ATOM 84 CB LYS A 5 -4.572 2.965 14.062 1.00 0.00 C ATOM 85 CG LYS A 5 -5.813 3.517 14.784 1.00 0.00 C ATOM 86 CD LYS A 5 -5.406 4.602 15.792 1.00 0.00 C ATOM 87 CE LYS A 5 -6.615 4.984 16.646 1.00 0.00 C ATOM 88 NZ LYS A 5 -6.272 6.166 17.486 1.00 0.00 N ATOM 0 H LYS A 5 -6.186 3.622 12.280 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.933 4.891 13.299 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.782 1.969 13.673 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.746 2.865 14.767 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.511 3.931 14.056 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.332 2.709 15.299 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.599 4.238 16.428 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.027 5.478 15.266 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.468 5.213 16.007 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.907 4.146 17.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -7.093 6.428 18.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.470 5.931 18.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.014 6.965 16.872 1.00 0.00 H new ATOM 102 N ALA A 6 -3.174 2.272 11.452 1.00 0.00 N ATOM 103 CA ALA A 6 -2.066 1.596 10.726 1.00 0.00 C ATOM 104 C ALA A 6 -1.662 2.399 9.483 1.00 0.00 C ATOM 105 O ALA A 6 -0.520 2.370 9.069 1.00 0.00 O ATOM 106 CB ALA A 6 -2.532 0.193 10.319 1.00 0.00 C ATOM 0 H ALA A 6 -4.095 1.860 11.300 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.195 1.526 11.378 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.730 -0.316 9.785 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.793 -0.377 11.211 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -3.405 0.273 9.671 1.00 0.00 H new ATOM 112 N MET A 7 -2.566 3.118 8.886 1.00 0.00 N ATOM 113 CA MET A 7 -2.181 3.909 7.684 1.00 0.00 C ATOM 114 C MET A 7 -1.131 4.950 8.100 1.00 0.00 C ATOM 115 O MET A 7 -0.112 5.114 7.460 1.00 0.00 O ATOM 116 CB MET A 7 -3.430 4.604 7.105 1.00 0.00 C ATOM 117 CG MET A 7 -3.300 4.751 5.583 1.00 0.00 C ATOM 118 SD MET A 7 -1.636 5.331 5.163 1.00 0.00 S ATOM 119 CE MET A 7 -1.504 4.505 3.558 1.00 0.00 C ATOM 0 H MET A 7 -3.542 3.194 9.171 1.00 0.00 H new ATOM 0 HA MET A 7 -1.761 3.257 6.918 1.00 0.00 H new ATOM 0 HB2 MET A 7 -4.321 4.025 7.346 1.00 0.00 H new ATOM 0 HB3 MET A 7 -3.554 5.585 7.563 1.00 0.00 H new ATOM 0 HG2 MET A 7 -3.495 3.795 5.098 1.00 0.00 H new ATOM 0 HG3 MET A 7 -4.045 5.455 5.211 1.00 0.00 H new ATOM 0 HE1 MET A 7 -0.536 4.730 3.111 1.00 0.00 H new ATOM 0 HE2 MET A 7 -1.599 3.428 3.694 1.00 0.00 H new ATOM 0 HE3 MET A 7 -2.298 4.859 2.900 1.00 0.00 H new ATOM 129 N VAL A 8 -1.381 5.648 9.175 1.00 0.00 N ATOM 130 CA VAL A 8 -0.420 6.683 9.659 1.00 0.00 C ATOM 131 C VAL A 8 0.892 6.036 10.118 1.00 0.00 C ATOM 132 O VAL A 8 1.959 6.589 9.937 1.00 0.00 O ATOM 133 CB VAL A 8 -1.048 7.428 10.836 1.00 0.00 C ATOM 134 CG1 VAL A 8 -0.175 8.633 11.194 1.00 0.00 C ATOM 135 CG2 VAL A 8 -2.445 7.912 10.437 1.00 0.00 C ATOM 0 H VAL A 8 -2.220 5.544 9.746 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.202 7.371 8.842 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.123 6.763 11.696 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.619 9.168 12.033 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.823 8.291 11.469 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.106 9.300 10.335 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.898 8.444 11.273 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.367 8.581 9.580 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.065 7.055 10.173 1.00 0.00 H new ATOM 145 N ALA A 9 0.831 4.875 10.711 1.00 0.00 N ATOM 146 CA ALA A 9 2.086 4.212 11.173 1.00 0.00 C ATOM 147 C ALA A 9 3.040 4.054 9.988 1.00 0.00 C ATOM 148 O ALA A 9 4.209 4.378 10.065 1.00 0.00 O ATOM 149 CB ALA A 9 1.749 2.826 11.730 1.00 0.00 C ATOM 0 H ALA A 9 -0.029 4.358 10.895 1.00 0.00 H new ATOM 0 HA ALA A 9 2.556 4.818 11.947 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.663 2.338 12.069 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.060 2.928 12.569 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.284 2.224 10.950 1.00 0.00 H new ATOM 155 N LEU A 10 2.547 3.545 8.899 1.00 0.00 N ATOM 156 CA LEU A 10 3.410 3.343 7.702 1.00 0.00 C ATOM 157 C LEU A 10 4.123 4.639 7.341 1.00 0.00 C ATOM 158 O LEU A 10 5.331 4.698 7.227 1.00 0.00 O ATOM 159 CB LEU A 10 2.516 2.958 6.520 1.00 0.00 C ATOM 160 CG LEU A 10 1.839 1.604 6.780 1.00 0.00 C ATOM 161 CD1 LEU A 10 0.845 1.313 5.648 1.00 0.00 C ATOM 162 CD2 LEU A 10 2.894 0.478 6.846 1.00 0.00 C ATOM 0 H LEU A 10 1.575 3.257 8.783 1.00 0.00 H new ATOM 0 HA LEU A 10 4.144 2.567 7.919 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.759 3.726 6.363 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.111 2.905 5.608 1.00 0.00 H new ATOM 0 HG LEU A 10 1.314 1.645 7.734 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.361 0.353 5.827 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.091 2.099 5.615 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.376 1.280 4.697 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.398 -0.475 7.031 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.433 0.429 5.900 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.596 0.684 7.654 1.00 0.00 H new ATOM 174 N ILE A 11 3.361 5.676 7.138 1.00 0.00 N ATOM 175 CA ILE A 11 3.952 6.983 6.754 1.00 0.00 C ATOM 176 C ILE A 11 5.006 7.409 7.772 1.00 0.00 C ATOM 177 O ILE A 11 6.052 7.913 7.413 1.00 0.00 O ATOM 178 CB ILE A 11 2.848 8.043 6.702 1.00 0.00 C ATOM 179 CG1 ILE A 11 1.665 7.532 5.870 1.00 0.00 C ATOM 180 CG2 ILE A 11 3.396 9.323 6.075 1.00 0.00 C ATOM 181 CD1 ILE A 11 2.150 7.016 4.510 1.00 0.00 C ATOM 0 H ILE A 11 2.345 5.672 7.223 1.00 0.00 H new ATOM 0 HA ILE A 11 4.422 6.883 5.776 1.00 0.00 H new ATOM 0 HB ILE A 11 2.507 8.250 7.717 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.153 6.734 6.407 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.941 8.334 5.725 1.00 0.00 H new ATOM 0 HG21 ILE A 11 2.609 10.076 6.039 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.227 9.695 6.674 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.744 9.113 5.064 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.298 6.657 3.932 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.641 7.824 3.968 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.856 6.199 4.661 1.00 0.00 H new ATOM 193 N ASP A 12 4.740 7.253 9.042 1.00 0.00 N ATOM 194 CA ASP A 12 5.740 7.703 10.049 1.00 0.00 C ATOM 195 C ASP A 12 6.988 6.812 10.005 1.00 0.00 C ATOM 196 O ASP A 12 8.092 7.291 10.172 1.00 0.00 O ATOM 197 CB ASP A 12 5.125 7.686 11.450 1.00 0.00 C ATOM 198 CG ASP A 12 6.188 8.072 12.480 1.00 0.00 C ATOM 199 OD1 ASP A 12 7.210 8.603 12.078 1.00 0.00 O ATOM 200 OD2 ASP A 12 5.961 7.831 13.654 1.00 0.00 O ATOM 0 H ASP A 12 3.887 6.840 9.420 1.00 0.00 H new ATOM 0 HA ASP A 12 6.037 8.724 9.809 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.287 8.381 11.499 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.730 6.695 11.673 1.00 0.00 H new ATOM 205 N VAL A 13 6.847 5.527 9.782 1.00 0.00 N ATOM 206 CA VAL A 13 8.069 4.673 9.738 1.00 0.00 C ATOM 207 C VAL A 13 8.841 4.978 8.453 1.00 0.00 C ATOM 208 O VAL A 13 10.055 4.999 8.444 1.00 0.00 O ATOM 209 CB VAL A 13 7.696 3.190 9.807 1.00 0.00 C ATOM 210 CG1 VAL A 13 8.941 2.335 9.553 1.00 0.00 C ATOM 211 CG2 VAL A 13 7.138 2.870 11.195 1.00 0.00 C ATOM 0 H VAL A 13 5.961 5.045 9.632 1.00 0.00 H new ATOM 0 HA VAL A 13 8.698 4.895 10.600 1.00 0.00 H new ATOM 0 HB VAL A 13 6.943 2.971 9.050 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.674 1.279 9.602 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.343 2.562 8.565 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.694 2.555 10.310 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.872 1.814 11.246 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.892 3.091 11.950 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.252 3.477 11.380 1.00 0.00 H new ATOM 221 N PHE A 14 8.156 5.244 7.377 1.00 0.00 N ATOM 222 CA PHE A 14 8.875 5.577 6.117 1.00 0.00 C ATOM 223 C PHE A 14 9.769 6.791 6.379 1.00 0.00 C ATOM 224 O PHE A 14 10.824 6.938 5.796 1.00 0.00 O ATOM 225 CB PHE A 14 7.866 5.911 5.015 1.00 0.00 C ATOM 226 CG PHE A 14 8.604 6.260 3.743 1.00 0.00 C ATOM 227 CD1 PHE A 14 9.072 7.565 3.538 1.00 0.00 C ATOM 228 CD2 PHE A 14 8.813 5.281 2.763 1.00 0.00 C ATOM 229 CE1 PHE A 14 9.750 7.889 2.356 1.00 0.00 C ATOM 230 CE2 PHE A 14 9.489 5.606 1.582 1.00 0.00 C ATOM 231 CZ PHE A 14 9.958 6.909 1.378 1.00 0.00 C ATOM 0 H PHE A 14 7.138 5.245 7.315 1.00 0.00 H new ATOM 0 HA PHE A 14 9.477 4.727 5.796 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.205 5.061 4.843 1.00 0.00 H new ATOM 0 HB3 PHE A 14 7.237 6.746 5.324 1.00 0.00 H new ATOM 0 HD1 PHE A 14 8.910 8.321 4.292 1.00 0.00 H new ATOM 0 HD2 PHE A 14 8.452 4.275 2.919 1.00 0.00 H new ATOM 0 HE1 PHE A 14 10.112 8.894 2.199 1.00 0.00 H new ATOM 0 HE2 PHE A 14 9.649 4.851 0.827 1.00 0.00 H new ATOM 0 HZ PHE A 14 10.480 7.158 0.466 1.00 0.00 H new ATOM 241 N HIS A 15 9.345 7.662 7.257 1.00 0.00 N ATOM 242 CA HIS A 15 10.154 8.873 7.570 1.00 0.00 C ATOM 243 C HIS A 15 11.293 8.506 8.527 1.00 0.00 C ATOM 244 O HIS A 15 12.344 9.117 8.523 1.00 0.00 O ATOM 245 CB HIS A 15 9.258 9.924 8.228 1.00 0.00 C ATOM 246 CG HIS A 15 10.004 11.225 8.337 1.00 0.00 C ATOM 247 ND1 HIS A 15 10.517 11.876 7.227 1.00 0.00 N ATOM 248 CD2 HIS A 15 10.329 12.011 9.416 1.00 0.00 C ATOM 249 CE1 HIS A 15 11.118 13.000 7.658 1.00 0.00 C ATOM 250 NE2 HIS A 15 11.032 13.131 8.984 1.00 0.00 N ATOM 0 H HIS A 15 8.468 7.584 7.772 1.00 0.00 H new ATOM 0 HA HIS A 15 10.575 9.272 6.647 1.00 0.00 H new ATOM 0 HB2 HIS A 15 8.350 10.062 7.641 1.00 0.00 H new ATOM 0 HB3 HIS A 15 8.950 9.586 9.217 1.00 0.00 H new ATOM 0 HD2 HIS A 15 10.077 11.793 10.443 1.00 0.00 H new ATOM 0 HE1 HIS A 15 11.610 13.710 7.010 1.00 0.00 H new ATOM 0 HE2 HIS A 15 11.402 13.889 9.557 1.00 0.00 H new ATOM 258 N GLN A 16 11.079 7.524 9.364 1.00 0.00 N ATOM 259 CA GLN A 16 12.131 7.125 10.344 1.00 0.00 C ATOM 260 C GLN A 16 13.438 6.816 9.614 1.00 0.00 C ATOM 261 O GLN A 16 14.500 7.241 10.024 1.00 0.00 O ATOM 262 CB GLN A 16 11.664 5.886 11.116 1.00 0.00 C ATOM 263 CG GLN A 16 12.648 5.572 12.251 1.00 0.00 C ATOM 264 CD GLN A 16 13.889 4.880 11.682 1.00 0.00 C ATOM 265 OE1 GLN A 16 13.778 3.948 10.910 1.00 0.00 O ATOM 266 NE2 GLN A 16 15.074 5.300 12.030 1.00 0.00 N ATOM 0 H GLN A 16 10.218 6.980 9.410 1.00 0.00 H new ATOM 0 HA GLN A 16 12.302 7.946 11.041 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.668 6.056 11.524 1.00 0.00 H new ATOM 0 HB3 GLN A 16 11.591 5.033 10.441 1.00 0.00 H new ATOM 0 HG2 GLN A 16 12.935 6.491 12.761 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.170 4.931 12.992 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.168 6.082 12.678 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.907 4.846 11.654 1.00 0.00 H new ATOM 275 N TYR A 17 13.377 6.080 8.538 1.00 0.00 N ATOM 276 CA TYR A 17 14.623 5.747 7.795 1.00 0.00 C ATOM 277 C TYR A 17 15.090 6.975 7.015 1.00 0.00 C ATOM 278 O TYR A 17 16.266 7.276 6.956 1.00 0.00 O ATOM 279 CB TYR A 17 14.342 4.597 6.822 1.00 0.00 C ATOM 280 CG TYR A 17 14.258 3.294 7.586 1.00 0.00 C ATOM 281 CD1 TYR A 17 13.183 3.061 8.454 1.00 0.00 C ATOM 282 CD2 TYR A 17 15.251 2.318 7.427 1.00 0.00 C ATOM 283 CE1 TYR A 17 13.102 1.856 9.161 1.00 0.00 C ATOM 284 CE2 TYR A 17 15.169 1.113 8.136 1.00 0.00 C ATOM 285 CZ TYR A 17 14.095 0.881 9.002 1.00 0.00 C ATOM 286 OH TYR A 17 14.015 -0.307 9.700 1.00 0.00 O ATOM 0 H TYR A 17 12.519 5.696 8.143 1.00 0.00 H new ATOM 0 HA TYR A 17 15.400 5.446 8.498 1.00 0.00 H new ATOM 0 HB2 TYR A 17 13.409 4.778 6.289 1.00 0.00 H new ATOM 0 HB3 TYR A 17 15.131 4.540 6.073 1.00 0.00 H new ATOM 0 HD1 TYR A 17 12.417 3.812 8.577 1.00 0.00 H new ATOM 0 HD2 TYR A 17 16.080 2.495 6.758 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.273 1.678 9.830 1.00 0.00 H new ATOM 0 HE2 TYR A 17 15.936 0.362 8.014 1.00 0.00 H new ATOM 0 HH TYR A 17 14.783 -0.872 9.473 1.00 0.00 H new ATOM 296 N SER A 18 14.175 7.687 6.414 1.00 0.00 N ATOM 297 CA SER A 18 14.554 8.900 5.631 1.00 0.00 C ATOM 298 C SER A 18 14.363 10.151 6.497 1.00 0.00 C ATOM 299 O SER A 18 13.646 11.059 6.128 1.00 0.00 O ATOM 300 CB SER A 18 13.658 8.999 4.394 1.00 0.00 C ATOM 301 OG SER A 18 12.416 9.589 4.755 1.00 0.00 O ATOM 0 H SER A 18 13.176 7.480 6.431 1.00 0.00 H new ATOM 0 HA SER A 18 15.598 8.826 5.326 1.00 0.00 H new ATOM 0 HB2 SER A 18 14.147 9.597 3.625 1.00 0.00 H new ATOM 0 HB3 SER A 18 13.493 8.008 3.971 1.00 0.00 H new ATOM 0 HG SER A 18 12.562 10.520 5.025 1.00 0.00 H new ATOM 307 N GLY A 19 15.013 10.218 7.638 1.00 0.00 N ATOM 308 CA GLY A 19 14.891 11.420 8.529 1.00 0.00 C ATOM 309 C GLY A 19 16.279 12.045 8.668 1.00 0.00 C ATOM 310 O GLY A 19 16.430 13.159 9.129 1.00 0.00 O ATOM 0 H GLY A 19 15.628 9.485 7.993 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.190 12.139 8.106 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.502 11.133 9.506 1.00 0.00 H new ATOM 314 N ARG A 20 17.289 11.347 8.225 1.00 0.00 N ATOM 315 CA ARG A 20 18.673 11.896 8.272 1.00 0.00 C ATOM 316 C ARG A 20 18.728 13.165 7.424 1.00 0.00 C ATOM 317 O ARG A 20 19.488 14.066 7.720 1.00 0.00 O ATOM 318 CB ARG A 20 19.656 10.865 7.713 1.00 0.00 C ATOM 319 CG ARG A 20 19.789 9.699 8.695 1.00 0.00 C ATOM 320 CD ARG A 20 20.755 8.660 8.123 1.00 0.00 C ATOM 321 NE ARG A 20 22.098 9.280 7.940 1.00 0.00 N ATOM 322 CZ ARG A 20 23.104 8.553 7.534 1.00 0.00 C ATOM 323 NH1 ARG A 20 23.856 7.936 8.403 1.00 0.00 N ATOM 324 NH2 ARG A 20 23.358 8.445 6.258 1.00 0.00 N ATOM 0 H ARG A 20 17.213 10.410 7.829 1.00 0.00 H new ATOM 0 HA ARG A 20 18.944 12.125 9.303 1.00 0.00 H new ATOM 0 HB2 ARG A 20 19.307 10.502 6.746 1.00 0.00 H new ATOM 0 HB3 ARG A 20 20.629 11.327 7.548 1.00 0.00 H new ATOM 0 HG2 ARG A 20 20.153 10.059 9.657 1.00 0.00 H new ATOM 0 HG3 ARG A 20 18.814 9.246 8.873 1.00 0.00 H new ATOM 0 HD2 ARG A 20 20.826 7.805 8.795 1.00 0.00 H new ATOM 0 HD3 ARG A 20 20.382 8.286 7.169 1.00 0.00 H new ATOM 0 HE ARG A 20 22.231 10.273 8.132 1.00 0.00 H new ATOM 0 HH11 ARG A 20 23.658 8.021 9.400 1.00 0.00 H new ATOM 0 HH12 ARG A 20 24.642 7.368 8.086 1.00 0.00 H new ATOM 0 HH21 ARG A 20 22.771 8.928 5.578 1.00 0.00 H new ATOM 0 HH22 ARG A 20 24.144 7.877 5.941 1.00 0.00 H new ATOM 338 N GLU A 21 17.928 13.278 6.397 1.00 0.00 N ATOM 339 CA GLU A 21 17.959 14.537 5.588 1.00 0.00 C ATOM 340 C GLU A 21 16.567 14.834 5.028 1.00 0.00 C ATOM 341 O GLU A 21 16.097 15.953 5.082 1.00 0.00 O ATOM 342 CB GLU A 21 18.965 14.386 4.437 1.00 0.00 C ATOM 343 CG GLU A 21 18.826 12.998 3.804 1.00 0.00 C ATOM 344 CD GLU A 21 19.795 12.874 2.628 1.00 0.00 C ATOM 345 OE1 GLU A 21 20.885 13.414 2.724 1.00 0.00 O ATOM 346 OE2 GLU A 21 19.431 12.240 1.651 1.00 0.00 O ATOM 0 H GLU A 21 17.265 12.569 6.085 1.00 0.00 H new ATOM 0 HA GLU A 21 18.266 15.365 6.227 1.00 0.00 H new ATOM 0 HB2 GLU A 21 18.791 15.157 3.686 1.00 0.00 H new ATOM 0 HB3 GLU A 21 19.980 14.526 4.808 1.00 0.00 H new ATOM 0 HG2 GLU A 21 19.036 12.226 4.545 1.00 0.00 H new ATOM 0 HG3 GLU A 21 17.802 12.843 3.463 1.00 0.00 H new ATOM 353 N GLY A 22 15.903 13.854 4.485 1.00 0.00 N ATOM 354 CA GLY A 22 14.547 14.102 3.919 1.00 0.00 C ATOM 355 C GLY A 22 14.612 15.291 2.956 1.00 0.00 C ATOM 356 O GLY A 22 13.600 15.762 2.474 1.00 0.00 O ATOM 0 H GLY A 22 16.238 12.894 4.408 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.190 13.215 3.396 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.837 14.306 4.721 1.00 0.00 H new ATOM 360 N ASP A 23 15.789 15.783 2.666 1.00 0.00 N ATOM 361 CA ASP A 23 15.897 16.939 1.729 1.00 0.00 C ATOM 362 C ASP A 23 15.074 16.623 0.482 1.00 0.00 C ATOM 363 O ASP A 23 14.103 17.289 0.180 1.00 0.00 O ATOM 364 CB ASP A 23 17.362 17.151 1.341 1.00 0.00 C ATOM 365 CG ASP A 23 17.477 18.355 0.402 1.00 0.00 C ATOM 366 OD1 ASP A 23 16.457 18.771 -0.123 1.00 0.00 O ATOM 367 OD2 ASP A 23 18.582 18.839 0.224 1.00 0.00 O ATOM 0 H ASP A 23 16.674 15.436 3.035 1.00 0.00 H new ATOM 0 HA ASP A 23 15.525 17.846 2.205 1.00 0.00 H new ATOM 0 HB2 ASP A 23 17.965 17.315 2.234 1.00 0.00 H new ATOM 0 HB3 ASP A 23 17.752 16.258 0.853 1.00 0.00 H new ATOM 372 N LYS A 24 15.434 15.587 -0.227 1.00 0.00 N ATOM 373 CA LYS A 24 14.651 15.198 -1.433 1.00 0.00 C ATOM 374 C LYS A 24 13.549 14.235 -0.988 1.00 0.00 C ATOM 375 O LYS A 24 13.423 13.918 0.179 1.00 0.00 O ATOM 376 CB LYS A 24 15.571 14.509 -2.442 1.00 0.00 C ATOM 377 CG LYS A 24 16.456 15.558 -3.119 1.00 0.00 C ATOM 378 CD LYS A 24 17.391 14.874 -4.119 1.00 0.00 C ATOM 379 CE LYS A 24 18.509 15.841 -4.522 1.00 0.00 C ATOM 380 NZ LYS A 24 19.145 15.362 -5.781 1.00 0.00 N ATOM 0 H LYS A 24 16.238 14.993 -0.022 1.00 0.00 H new ATOM 0 HA LYS A 24 14.214 16.077 -1.906 1.00 0.00 H new ATOM 0 HB2 LYS A 24 16.189 13.765 -1.939 1.00 0.00 H new ATOM 0 HB3 LYS A 24 14.979 13.979 -3.189 1.00 0.00 H new ATOM 0 HG2 LYS A 24 15.837 16.295 -3.630 1.00 0.00 H new ATOM 0 HG3 LYS A 24 17.038 16.095 -2.370 1.00 0.00 H new ATOM 0 HD2 LYS A 24 17.817 13.974 -3.677 1.00 0.00 H new ATOM 0 HD3 LYS A 24 16.831 14.562 -5.001 1.00 0.00 H new ATOM 0 HE2 LYS A 24 18.105 16.843 -4.664 1.00 0.00 H new ATOM 0 HE3 LYS A 24 19.253 15.907 -3.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 19.905 16.017 -6.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 19.544 14.413 -5.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 18.432 15.321 -6.537 1.00 0.00 H new ATOM 394 N HIS A 25 12.766 13.751 -1.916 1.00 0.00 N ATOM 395 CA HIS A 25 11.675 12.782 -1.582 1.00 0.00 C ATOM 396 C HIS A 25 11.816 11.588 -2.524 1.00 0.00 C ATOM 397 O HIS A 25 10.865 11.152 -3.143 1.00 0.00 O ATOM 398 CB HIS A 25 10.315 13.451 -1.792 1.00 0.00 C ATOM 399 CG HIS A 25 9.219 12.454 -1.533 1.00 0.00 C ATOM 400 ND1 HIS A 25 9.465 11.217 -0.958 1.00 0.00 N ATOM 401 CD2 HIS A 25 7.868 12.498 -1.765 1.00 0.00 C ATOM 402 CE1 HIS A 25 8.288 10.573 -0.864 1.00 0.00 C ATOM 403 NE2 HIS A 25 7.281 11.309 -1.342 1.00 0.00 N ATOM 0 H HIS A 25 12.836 13.988 -2.906 1.00 0.00 H new ATOM 0 HA HIS A 25 11.747 12.460 -0.543 1.00 0.00 H new ATOM 0 HB2 HIS A 25 10.210 14.304 -1.122 1.00 0.00 H new ATOM 0 HB3 HIS A 25 10.240 13.834 -2.810 1.00 0.00 H new ATOM 0 HD2 HIS A 25 7.340 13.329 -2.209 1.00 0.00 H new ATOM 0 HE1 HIS A 25 8.171 9.581 -0.452 1.00 0.00 H new ATOM 0 HE2 HIS A 25 6.294 11.054 -1.387 1.00 0.00 H new ATOM 411 N LYS A 26 13.011 11.063 -2.636 1.00 0.00 N ATOM 412 CA LYS A 26 13.259 9.895 -3.534 1.00 0.00 C ATOM 413 C LYS A 26 14.026 8.810 -2.771 1.00 0.00 C ATOM 414 O LYS A 26 14.851 9.100 -1.928 1.00 0.00 O ATOM 415 CB LYS A 26 14.097 10.348 -4.733 1.00 0.00 C ATOM 416 CG LYS A 26 13.385 11.489 -5.472 1.00 0.00 C ATOM 417 CD LYS A 26 12.143 10.959 -6.205 1.00 0.00 C ATOM 418 CE LYS A 26 11.725 11.954 -7.292 1.00 0.00 C ATOM 419 NZ LYS A 26 11.457 13.282 -6.673 1.00 0.00 N ATOM 0 H LYS A 26 13.835 11.399 -2.137 1.00 0.00 H new ATOM 0 HA LYS A 26 12.304 9.495 -3.876 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.079 10.679 -4.396 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.259 9.510 -5.411 1.00 0.00 H new ATOM 0 HG2 LYS A 26 13.094 12.264 -4.763 1.00 0.00 H new ATOM 0 HG3 LYS A 26 14.067 11.950 -6.186 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.358 9.987 -6.650 1.00 0.00 H new ATOM 0 HD3 LYS A 26 11.326 10.812 -5.498 1.00 0.00 H new ATOM 0 HE2 LYS A 26 12.512 12.042 -8.041 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.834 11.594 -7.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.923 13.875 -7.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.902 13.154 -5.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 12.359 13.746 -6.443 1.00 0.00 H new ATOM 433 N LEU A 27 13.759 7.562 -3.067 1.00 0.00 N ATOM 434 CA LEU A 27 14.465 6.434 -2.375 1.00 0.00 C ATOM 435 C LEU A 27 15.109 5.546 -3.446 1.00 0.00 C ATOM 436 O LEU A 27 14.548 5.339 -4.504 1.00 0.00 O ATOM 437 CB LEU A 27 13.431 5.629 -1.541 1.00 0.00 C ATOM 438 CG LEU A 27 13.974 5.353 -0.127 1.00 0.00 C ATOM 439 CD1 LEU A 27 12.871 4.747 0.740 1.00 0.00 C ATOM 440 CD2 LEU A 27 15.151 4.377 -0.210 1.00 0.00 C ATOM 0 H LEU A 27 13.075 7.272 -3.766 1.00 0.00 H new ATOM 0 HA LEU A 27 15.238 6.807 -1.703 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.496 6.185 -1.475 1.00 0.00 H new ATOM 0 HB3 LEU A 27 13.207 4.687 -2.041 1.00 0.00 H new ATOM 0 HG LEU A 27 14.309 6.290 0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.259 4.553 1.740 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.035 5.443 0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.531 3.812 0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 27 15.534 4.183 0.792 1.00 0.00 H new ATOM 0 HD22 LEU A 27 14.817 3.441 -0.658 1.00 0.00 H new ATOM 0 HD23 LEU A 27 15.941 4.811 -0.823 1.00 0.00 H new ATOM 452 N LYS A 28 16.286 5.023 -3.189 1.00 0.00 N ATOM 453 CA LYS A 28 16.960 4.155 -4.207 1.00 0.00 C ATOM 454 C LYS A 28 16.649 2.682 -3.925 1.00 0.00 C ATOM 455 O LYS A 28 16.289 2.311 -2.824 1.00 0.00 O ATOM 456 CB LYS A 28 18.474 4.374 -4.158 1.00 0.00 C ATOM 457 CG LYS A 28 18.819 5.745 -4.745 1.00 0.00 C ATOM 458 CD LYS A 28 20.335 5.956 -4.698 1.00 0.00 C ATOM 459 CE LYS A 28 20.657 7.438 -4.899 1.00 0.00 C ATOM 460 NZ LYS A 28 22.135 7.621 -4.952 1.00 0.00 N ATOM 0 H LYS A 28 16.806 5.159 -2.322 1.00 0.00 H new ATOM 0 HA LYS A 28 16.588 4.419 -5.197 1.00 0.00 H new ATOM 0 HB2 LYS A 28 18.827 4.310 -3.129 1.00 0.00 H new ATOM 0 HB3 LYS A 28 18.982 3.590 -4.719 1.00 0.00 H new ATOM 0 HG2 LYS A 28 18.464 5.811 -5.773 1.00 0.00 H new ATOM 0 HG3 LYS A 28 18.315 6.530 -4.182 1.00 0.00 H new ATOM 0 HD2 LYS A 28 20.730 5.615 -3.741 1.00 0.00 H new ATOM 0 HD3 LYS A 28 20.819 5.361 -5.472 1.00 0.00 H new ATOM 0 HE2 LYS A 28 20.202 7.798 -5.821 1.00 0.00 H new ATOM 0 HE3 LYS A 28 20.236 8.027 -4.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 22.355 8.628 -5.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 22.558 7.292 -4.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 22.525 7.071 -5.744 1.00 0.00 H new ATOM 474 N LYS A 29 16.789 1.842 -4.912 1.00 0.00 N ATOM 475 CA LYS A 29 16.510 0.389 -4.714 1.00 0.00 C ATOM 476 C LYS A 29 17.482 -0.205 -3.684 1.00 0.00 C ATOM 477 O LYS A 29 17.123 -1.056 -2.895 1.00 0.00 O ATOM 478 CB LYS A 29 16.689 -0.343 -6.053 1.00 0.00 C ATOM 479 CG LYS A 29 17.933 0.186 -6.790 1.00 0.00 C ATOM 480 CD LYS A 29 18.443 -0.872 -7.782 1.00 0.00 C ATOM 481 CE LYS A 29 19.330 -0.207 -8.838 1.00 0.00 C ATOM 482 NZ LYS A 29 20.215 0.797 -8.184 1.00 0.00 N ATOM 0 H LYS A 29 17.086 2.099 -5.853 1.00 0.00 H new ATOM 0 HA LYS A 29 15.489 0.269 -4.351 1.00 0.00 H new ATOM 0 HB2 LYS A 29 16.789 -1.414 -5.879 1.00 0.00 H new ATOM 0 HB3 LYS A 29 15.804 -0.203 -6.673 1.00 0.00 H new ATOM 0 HG2 LYS A 29 17.688 1.106 -7.320 1.00 0.00 H new ATOM 0 HG3 LYS A 29 18.715 0.431 -6.072 1.00 0.00 H new ATOM 0 HD2 LYS A 29 19.006 -1.640 -7.252 1.00 0.00 H new ATOM 0 HD3 LYS A 29 17.601 -1.370 -8.262 1.00 0.00 H new ATOM 0 HE2 LYS A 29 19.931 -0.959 -9.349 1.00 0.00 H new ATOM 0 HE3 LYS A 29 18.712 0.276 -9.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 21.018 1.012 -8.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 19.676 1.668 -8.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 20.570 0.414 -7.285 1.00 0.00 H new ATOM 496 N SER A 30 18.713 0.220 -3.706 1.00 0.00 N ATOM 497 CA SER A 30 19.722 -0.331 -2.756 1.00 0.00 C ATOM 498 C SER A 30 19.313 -0.081 -1.301 1.00 0.00 C ATOM 499 O SER A 30 19.428 -0.951 -0.450 1.00 0.00 O ATOM 500 CB SER A 30 21.068 0.349 -3.011 1.00 0.00 C ATOM 501 OG SER A 30 21.989 -0.042 -2.001 1.00 0.00 O ATOM 0 H SER A 30 19.068 0.931 -4.346 1.00 0.00 H new ATOM 0 HA SER A 30 19.792 -1.407 -2.917 1.00 0.00 H new ATOM 0 HB2 SER A 30 21.449 0.071 -3.994 1.00 0.00 H new ATOM 0 HB3 SER A 30 20.947 1.432 -3.010 1.00 0.00 H new ATOM 0 HG SER A 30 22.854 0.390 -2.162 1.00 0.00 H new ATOM 507 N GLU A 31 18.845 1.102 -0.995 1.00 0.00 N ATOM 508 CA GLU A 31 18.462 1.389 0.418 1.00 0.00 C ATOM 509 C GLU A 31 17.101 0.762 0.703 1.00 0.00 C ATOM 510 O GLU A 31 16.828 0.307 1.796 1.00 0.00 O ATOM 511 CB GLU A 31 18.407 2.900 0.655 1.00 0.00 C ATOM 512 CG GLU A 31 19.683 3.553 0.122 1.00 0.00 C ATOM 513 CD GLU A 31 20.889 3.035 0.909 1.00 0.00 C ATOM 514 OE1 GLU A 31 20.734 2.777 2.091 1.00 0.00 O ATOM 515 OE2 GLU A 31 21.947 2.906 0.315 1.00 0.00 O ATOM 0 H GLU A 31 18.713 1.871 -1.652 1.00 0.00 H new ATOM 0 HA GLU A 31 19.207 0.963 1.090 1.00 0.00 H new ATOM 0 HB2 GLU A 31 17.535 3.324 0.157 1.00 0.00 H new ATOM 0 HB3 GLU A 31 18.299 3.107 1.720 1.00 0.00 H new ATOM 0 HG2 GLU A 31 19.803 3.329 -0.938 1.00 0.00 H new ATOM 0 HG3 GLU A 31 19.615 4.637 0.213 1.00 0.00 H new ATOM 522 N LEU A 32 16.249 0.724 -0.286 1.00 0.00 N ATOM 523 CA LEU A 32 14.908 0.114 -0.091 1.00 0.00 C ATOM 524 C LEU A 32 15.085 -1.378 0.188 1.00 0.00 C ATOM 525 O LEU A 32 14.436 -1.931 1.051 1.00 0.00 O ATOM 526 CB LEU A 32 14.056 0.321 -1.347 1.00 0.00 C ATOM 527 CG LEU A 32 12.645 -0.243 -1.130 1.00 0.00 C ATOM 528 CD1 LEU A 32 11.937 0.520 0.005 1.00 0.00 C ATOM 529 CD2 LEU A 32 11.847 -0.099 -2.433 1.00 0.00 C ATOM 0 H LEU A 32 16.427 1.090 -1.221 1.00 0.00 H new ATOM 0 HA LEU A 32 14.402 0.586 0.751 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.998 1.383 -1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.525 -0.171 -2.199 1.00 0.00 H new ATOM 0 HG LEU A 32 12.711 -1.295 -0.851 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.937 0.111 0.150 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.509 0.414 0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.863 1.575 -0.257 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.842 -0.497 -2.290 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.785 0.954 -2.707 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.346 -0.652 -3.229 1.00 0.00 H new ATOM 541 N LYS A 33 15.941 -2.049 -0.533 1.00 0.00 N ATOM 542 CA LYS A 33 16.115 -3.505 -0.285 1.00 0.00 C ATOM 543 C LYS A 33 16.367 -3.721 1.203 1.00 0.00 C ATOM 544 O LYS A 33 15.667 -4.463 1.864 1.00 0.00 O ATOM 545 CB LYS A 33 17.311 -4.020 -1.089 1.00 0.00 C ATOM 546 CG LYS A 33 17.385 -5.544 -0.982 1.00 0.00 C ATOM 547 CD LYS A 33 18.481 -6.067 -1.915 1.00 0.00 C ATOM 548 CE LYS A 33 18.575 -7.590 -1.791 1.00 0.00 C ATOM 549 NZ LYS A 33 17.332 -8.209 -2.330 1.00 0.00 N ATOM 0 H LYS A 33 16.521 -1.656 -1.275 1.00 0.00 H new ATOM 0 HA LYS A 33 15.219 -4.046 -0.591 1.00 0.00 H new ATOM 0 HB2 LYS A 33 17.215 -3.723 -2.133 1.00 0.00 H new ATOM 0 HB3 LYS A 33 18.233 -3.574 -0.715 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.597 -5.837 0.046 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.424 -5.985 -1.248 1.00 0.00 H new ATOM 0 HD2 LYS A 33 18.259 -5.789 -2.945 1.00 0.00 H new ATOM 0 HD3 LYS A 33 19.438 -5.611 -1.660 1.00 0.00 H new ATOM 0 HE2 LYS A 33 19.444 -7.957 -2.338 1.00 0.00 H new ATOM 0 HE3 LYS A 33 18.712 -7.873 -0.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 17.499 -9.219 -2.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 16.564 -8.107 -1.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 17.064 -7.734 -3.216 1.00 0.00 H new ATOM 563 N GLU A 34 17.373 -3.084 1.733 1.00 0.00 N ATOM 564 CA GLU A 34 17.676 -3.266 3.184 1.00 0.00 C ATOM 565 C GLU A 34 16.380 -3.124 4.001 1.00 0.00 C ATOM 566 O GLU A 34 16.201 -3.785 5.004 1.00 0.00 O ATOM 567 CB GLU A 34 18.694 -2.216 3.631 1.00 0.00 C ATOM 568 CG GLU A 34 20.046 -2.512 2.978 1.00 0.00 C ATOM 569 CD GLU A 34 21.011 -1.356 3.245 1.00 0.00 C ATOM 570 OE1 GLU A 34 20.541 -0.285 3.590 1.00 0.00 O ATOM 571 OE2 GLU A 34 22.205 -1.562 3.099 1.00 0.00 O ATOM 0 H GLU A 34 17.995 -2.450 1.232 1.00 0.00 H new ATOM 0 HA GLU A 34 18.094 -4.259 3.347 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.352 -1.219 3.351 1.00 0.00 H new ATOM 0 HB3 GLU A 34 18.791 -2.226 4.717 1.00 0.00 H new ATOM 0 HG2 GLU A 34 20.457 -3.440 3.375 1.00 0.00 H new ATOM 0 HG3 GLU A 34 19.919 -2.652 1.905 1.00 0.00 H new ATOM 578 N LEU A 35 15.473 -2.278 3.582 1.00 0.00 N ATOM 579 CA LEU A 35 14.194 -2.119 4.343 1.00 0.00 C ATOM 580 C LEU A 35 13.365 -3.404 4.224 1.00 0.00 C ATOM 581 O LEU A 35 12.871 -3.919 5.208 1.00 0.00 O ATOM 582 CB LEU A 35 13.403 -0.921 3.785 1.00 0.00 C ATOM 583 CG LEU A 35 12.165 -0.614 4.676 1.00 0.00 C ATOM 584 CD1 LEU A 35 11.912 0.899 4.721 1.00 0.00 C ATOM 585 CD2 LEU A 35 10.908 -1.300 4.113 1.00 0.00 C ATOM 0 H LEU A 35 15.561 -1.693 2.751 1.00 0.00 H new ATOM 0 HA LEU A 35 14.415 -1.935 5.394 1.00 0.00 H new ATOM 0 HB2 LEU A 35 14.048 -0.044 3.737 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.080 -1.135 2.766 1.00 0.00 H new ATOM 0 HG LEU A 35 12.370 -0.992 5.678 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.044 1.104 5.347 1.00 0.00 H new ATOM 0 HD12 LEU A 35 12.785 1.402 5.136 1.00 0.00 H new ATOM 0 HD13 LEU A 35 11.727 1.267 3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.053 -1.073 4.750 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.715 -0.935 3.104 1.00 0.00 H new ATOM 0 HD23 LEU A 35 11.064 -2.378 4.085 1.00 0.00 H new ATOM 597 N ILE A 36 13.221 -3.943 3.043 1.00 0.00 N ATOM 598 CA ILE A 36 12.443 -5.208 2.879 1.00 0.00 C ATOM 599 C ILE A 36 13.016 -6.291 3.797 1.00 0.00 C ATOM 600 O ILE A 36 12.304 -7.142 4.291 1.00 0.00 O ATOM 601 CB ILE A 36 12.572 -5.675 1.423 1.00 0.00 C ATOM 602 CG1 ILE A 36 12.210 -4.512 0.491 1.00 0.00 C ATOM 603 CG2 ILE A 36 11.620 -6.853 1.169 1.00 0.00 C ATOM 604 CD1 ILE A 36 12.101 -5.010 -0.954 1.00 0.00 C ATOM 0 H ILE A 36 13.610 -3.561 2.181 1.00 0.00 H new ATOM 0 HA ILE A 36 11.398 -5.032 3.135 1.00 0.00 H new ATOM 0 HB ILE A 36 13.596 -5.997 1.232 1.00 0.00 H new ATOM 0 HG12 ILE A 36 11.265 -4.066 0.803 1.00 0.00 H new ATOM 0 HG13 ILE A 36 12.968 -3.732 0.559 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.715 -7.181 0.134 1.00 0.00 H new ATOM 0 HG22 ILE A 36 11.875 -7.677 1.836 1.00 0.00 H new ATOM 0 HG23 ILE A 36 10.593 -6.538 1.357 1.00 0.00 H new ATOM 0 HD11 ILE A 36 11.844 -4.177 -1.608 1.00 0.00 H new ATOM 0 HD12 ILE A 36 13.055 -5.434 -1.266 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.326 -5.774 -1.018 1.00 0.00 H new ATOM 616 N ASN A 37 14.306 -6.294 3.984 1.00 0.00 N ATOM 617 CA ASN A 37 14.946 -7.352 4.817 1.00 0.00 C ATOM 618 C ASN A 37 14.565 -7.231 6.299 1.00 0.00 C ATOM 619 O ASN A 37 14.601 -8.209 7.020 1.00 0.00 O ATOM 620 CB ASN A 37 16.467 -7.233 4.684 1.00 0.00 C ATOM 621 CG ASN A 37 16.897 -7.701 3.293 1.00 0.00 C ATOM 622 OD1 ASN A 37 17.682 -7.048 2.635 1.00 0.00 O ATOM 623 ND2 ASN A 37 16.410 -8.812 2.814 1.00 0.00 N ATOM 0 H ASN A 37 14.949 -5.605 3.594 1.00 0.00 H new ATOM 0 HA ASN A 37 14.593 -8.319 4.460 1.00 0.00 H new ATOM 0 HB2 ASN A 37 16.777 -6.200 4.843 1.00 0.00 H new ATOM 0 HB3 ASN A 37 16.958 -7.835 5.449 1.00 0.00 H new ATOM 0 HD21 ASN A 37 16.688 -9.133 1.887 1.00 0.00 H new ATOM 0 HD22 ASN A 37 15.751 -9.360 3.367 1.00 0.00 H new ATOM 630 N ASN A 38 14.236 -6.051 6.776 1.00 0.00 N ATOM 631 CA ASN A 38 13.899 -5.893 8.236 1.00 0.00 C ATOM 632 C ASN A 38 12.396 -5.663 8.449 1.00 0.00 C ATOM 633 O ASN A 38 11.899 -5.836 9.544 1.00 0.00 O ATOM 634 CB ASN A 38 14.672 -4.698 8.799 1.00 0.00 C ATOM 635 CG ASN A 38 14.602 -4.716 10.327 1.00 0.00 C ATOM 636 OD1 ASN A 38 13.751 -4.077 10.914 1.00 0.00 O ATOM 637 ND2 ASN A 38 15.468 -5.423 11.000 1.00 0.00 N ATOM 0 H ASN A 38 14.186 -5.194 6.224 1.00 0.00 H new ATOM 0 HA ASN A 38 14.178 -6.812 8.751 1.00 0.00 H new ATOM 0 HB2 ASN A 38 15.711 -4.737 8.472 1.00 0.00 H new ATOM 0 HB3 ASN A 38 14.252 -3.768 8.417 1.00 0.00 H new ATOM 0 HD21 ASN A 38 15.431 -5.440 12.019 1.00 0.00 H new ATOM 0 HD22 ASN A 38 16.182 -5.959 10.507 1.00 0.00 H new ATOM 644 N GLU A 39 11.668 -5.260 7.437 1.00 0.00 N ATOM 645 CA GLU A 39 10.198 -5.004 7.623 1.00 0.00 C ATOM 646 C GLU A 39 9.368 -6.163 7.062 1.00 0.00 C ATOM 647 O GLU A 39 8.259 -6.397 7.500 1.00 0.00 O ATOM 648 CB GLU A 39 9.815 -3.721 6.887 1.00 0.00 C ATOM 649 CG GLU A 39 10.642 -2.553 7.429 1.00 0.00 C ATOM 650 CD GLU A 39 10.277 -2.302 8.894 1.00 0.00 C ATOM 651 OE1 GLU A 39 10.895 -2.912 9.751 1.00 0.00 O ATOM 652 OE2 GLU A 39 9.386 -1.504 9.134 1.00 0.00 O ATOM 0 H GLU A 39 12.021 -5.097 6.494 1.00 0.00 H new ATOM 0 HA GLU A 39 9.995 -4.908 8.690 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.989 -3.838 5.817 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.752 -3.518 7.017 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.705 -2.776 7.342 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.455 -1.656 6.838 1.00 0.00 H new ATOM 659 N LEU A 40 9.886 -6.889 6.100 1.00 0.00 N ATOM 660 CA LEU A 40 9.116 -8.037 5.510 1.00 0.00 C ATOM 661 C LEU A 40 9.814 -9.353 5.871 1.00 0.00 C ATOM 662 O LEU A 40 9.661 -10.357 5.204 1.00 0.00 O ATOM 663 CB LEU A 40 9.052 -7.867 3.978 1.00 0.00 C ATOM 664 CG LEU A 40 7.800 -7.061 3.585 1.00 0.00 C ATOM 665 CD1 LEU A 40 7.710 -5.773 4.424 1.00 0.00 C ATOM 666 CD2 LEU A 40 7.870 -6.701 2.093 1.00 0.00 C ATOM 0 H LEU A 40 10.810 -6.738 5.695 1.00 0.00 H new ATOM 0 HA LEU A 40 8.102 -8.054 5.910 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.948 -7.357 3.623 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.030 -8.845 3.497 1.00 0.00 H new ATOM 0 HG LEU A 40 6.914 -7.667 3.774 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.821 -5.213 4.136 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.650 -6.031 5.481 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.596 -5.162 4.249 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.984 -6.131 1.814 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.761 -6.102 1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.915 -7.614 1.500 1.00 0.00 H new ATOM 678 N SER A 41 10.569 -9.350 6.933 1.00 0.00 N ATOM 679 CA SER A 41 11.273 -10.590 7.364 1.00 0.00 C ATOM 680 C SER A 41 10.264 -11.578 7.957 1.00 0.00 C ATOM 681 O SER A 41 10.477 -12.774 7.946 1.00 0.00 O ATOM 682 CB SER A 41 12.315 -10.236 8.425 1.00 0.00 C ATOM 683 OG SER A 41 11.662 -10.006 9.666 1.00 0.00 O ATOM 0 H SER A 41 10.730 -8.536 7.526 1.00 0.00 H new ATOM 0 HA SER A 41 11.762 -11.046 6.503 1.00 0.00 H new ATOM 0 HB2 SER A 41 13.038 -11.046 8.526 1.00 0.00 H new ATOM 0 HB3 SER A 41 12.871 -9.348 8.123 1.00 0.00 H new ATOM 0 HG SER A 41 12.328 -9.780 10.349 1.00 0.00 H new ATOM 689 N HIS A 42 9.168 -11.093 8.478 1.00 0.00 N ATOM 690 CA HIS A 42 8.155 -12.014 9.070 1.00 0.00 C ATOM 691 C HIS A 42 7.402 -12.749 7.958 1.00 0.00 C ATOM 692 O HIS A 42 7.270 -13.957 7.980 1.00 0.00 O ATOM 693 CB HIS A 42 7.161 -11.206 9.908 1.00 0.00 C ATOM 694 CG HIS A 42 6.159 -12.139 10.532 1.00 0.00 C ATOM 695 ND1 HIS A 42 4.801 -12.052 10.266 1.00 0.00 N ATOM 696 CD2 HIS A 42 6.303 -13.186 11.409 1.00 0.00 C ATOM 697 CE1 HIS A 42 4.187 -13.021 10.971 1.00 0.00 C ATOM 698 NE2 HIS A 42 5.057 -13.741 11.685 1.00 0.00 N ATOM 0 H HIS A 42 8.931 -10.102 8.519 1.00 0.00 H new ATOM 0 HA HIS A 42 8.662 -12.744 9.702 1.00 0.00 H new ATOM 0 HB2 HIS A 42 7.689 -10.651 10.683 1.00 0.00 H new ATOM 0 HB3 HIS A 42 6.652 -10.474 9.282 1.00 0.00 H new ATOM 0 HD2 HIS A 42 7.241 -13.527 11.822 1.00 0.00 H new ATOM 0 HE1 HIS A 42 3.121 -13.195 10.961 1.00 0.00 H new ATOM 0 HE2 HIS A 42 4.852 -14.528 12.300 1.00 0.00 H new ATOM 706 N PHE A 43 6.899 -12.032 6.989 1.00 0.00 N ATOM 707 CA PHE A 43 6.149 -12.695 5.885 1.00 0.00 C ATOM 708 C PHE A 43 7.089 -13.613 5.103 1.00 0.00 C ATOM 709 O PHE A 43 6.668 -14.568 4.481 1.00 0.00 O ATOM 710 CB PHE A 43 5.570 -11.632 4.950 1.00 0.00 C ATOM 711 CG PHE A 43 4.538 -10.817 5.696 1.00 0.00 C ATOM 712 CD1 PHE A 43 3.296 -11.381 6.009 1.00 0.00 C ATOM 713 CD2 PHE A 43 4.824 -9.498 6.078 1.00 0.00 C ATOM 714 CE1 PHE A 43 2.339 -10.630 6.701 1.00 0.00 C ATOM 715 CE2 PHE A 43 3.866 -8.747 6.770 1.00 0.00 C ATOM 716 CZ PHE A 43 2.624 -9.313 7.082 1.00 0.00 C ATOM 0 H PHE A 43 6.975 -11.018 6.915 1.00 0.00 H new ATOM 0 HA PHE A 43 5.336 -13.288 6.305 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.365 -10.984 4.582 1.00 0.00 H new ATOM 0 HB3 PHE A 43 5.116 -12.106 4.080 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.076 -12.397 5.716 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.783 -9.062 5.839 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.381 -11.066 6.941 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.085 -7.731 7.063 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.886 -8.734 7.617 1.00 0.00 H new ATOM 726 N LEU A 44 8.362 -13.324 5.122 1.00 0.00 N ATOM 727 CA LEU A 44 9.335 -14.171 4.373 1.00 0.00 C ATOM 728 C LEU A 44 9.058 -15.650 4.681 1.00 0.00 C ATOM 729 O LEU A 44 9.505 -16.536 3.979 1.00 0.00 O ATOM 730 CB LEU A 44 10.770 -13.785 4.806 1.00 0.00 C ATOM 731 CG LEU A 44 11.753 -13.838 3.617 1.00 0.00 C ATOM 732 CD1 LEU A 44 11.745 -15.239 2.993 1.00 0.00 C ATOM 733 CD2 LEU A 44 11.379 -12.779 2.554 1.00 0.00 C ATOM 0 H LEU A 44 8.771 -12.536 5.625 1.00 0.00 H new ATOM 0 HA LEU A 44 9.232 -14.012 3.300 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.765 -12.781 5.231 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.109 -14.462 5.590 1.00 0.00 H new ATOM 0 HG LEU A 44 12.755 -13.618 3.984 1.00 0.00 H new ATOM 0 HD11 LEU A 44 12.441 -15.268 2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 44 12.047 -15.972 3.741 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.741 -15.474 2.639 1.00 0.00 H new ATOM 0 HD21 LEU A 44 12.083 -12.832 1.724 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.371 -12.972 2.187 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.419 -11.785 3.001 1.00 0.00 H new ATOM 745 N GLU A 45 8.327 -15.917 5.729 1.00 0.00 N ATOM 746 CA GLU A 45 8.023 -17.330 6.093 1.00 0.00 C ATOM 747 C GLU A 45 6.835 -17.841 5.275 1.00 0.00 C ATOM 748 O GLU A 45 6.830 -18.960 4.803 1.00 0.00 O ATOM 749 CB GLU A 45 7.677 -17.397 7.583 1.00 0.00 C ATOM 750 CG GLU A 45 7.592 -18.858 8.034 1.00 0.00 C ATOM 751 CD GLU A 45 6.952 -18.926 9.421 1.00 0.00 C ATOM 752 OE1 GLU A 45 6.965 -17.917 10.107 1.00 0.00 O ATOM 753 OE2 GLU A 45 6.458 -19.984 9.773 1.00 0.00 O ATOM 0 H GLU A 45 7.926 -15.215 6.351 1.00 0.00 H new ATOM 0 HA GLU A 45 8.893 -17.952 5.881 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.434 -16.871 8.165 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.727 -16.895 7.768 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.004 -19.436 7.321 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.588 -19.301 8.059 1.00 0.00 H new ATOM 760 N GLU A 46 5.822 -17.036 5.116 1.00 0.00 N ATOM 761 CA GLU A 46 4.624 -17.481 4.342 1.00 0.00 C ATOM 762 C GLU A 46 4.835 -17.230 2.847 1.00 0.00 C ATOM 763 O GLU A 46 4.060 -16.543 2.214 1.00 0.00 O ATOM 764 CB GLU A 46 3.398 -16.699 4.818 1.00 0.00 C ATOM 765 CG GLU A 46 3.285 -16.801 6.341 1.00 0.00 C ATOM 766 CD GLU A 46 1.895 -16.341 6.784 1.00 0.00 C ATOM 767 OE1 GLU A 46 0.926 -16.831 6.227 1.00 0.00 O ATOM 768 OE2 GLU A 46 1.823 -15.508 7.673 1.00 0.00 O ATOM 0 H GLU A 46 5.770 -16.088 5.488 1.00 0.00 H new ATOM 0 HA GLU A 46 4.472 -18.548 4.504 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.481 -15.654 4.518 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.497 -17.094 4.349 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.458 -17.829 6.661 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.051 -16.187 6.815 1.00 0.00 H new ATOM 775 N ILE A 47 5.871 -17.798 2.277 1.00 0.00 N ATOM 776 CA ILE A 47 6.143 -17.616 0.813 1.00 0.00 C ATOM 777 C ILE A 47 6.062 -18.976 0.117 1.00 0.00 C ATOM 778 O ILE A 47 6.959 -19.789 0.223 1.00 0.00 O ATOM 779 CB ILE A 47 7.550 -17.045 0.620 1.00 0.00 C ATOM 780 CG1 ILE A 47 7.715 -15.757 1.441 1.00 0.00 C ATOM 781 CG2 ILE A 47 7.781 -16.746 -0.863 1.00 0.00 C ATOM 782 CD1 ILE A 47 6.600 -14.756 1.110 1.00 0.00 C ATOM 0 H ILE A 47 6.546 -18.385 2.767 1.00 0.00 H new ATOM 0 HA ILE A 47 5.408 -16.932 0.389 1.00 0.00 H new ATOM 0 HB ILE A 47 8.282 -17.777 0.962 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.695 -15.993 2.505 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.686 -15.309 1.232 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.783 -16.339 -1.000 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.680 -17.666 -1.440 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.044 -16.020 -1.207 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.736 -13.851 1.702 1.00 0.00 H new ATOM 0 HD12 ILE A 47 6.639 -14.505 0.050 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.632 -15.200 1.342 1.00 0.00 H new ATOM 794 N LYS A 48 4.995 -19.235 -0.593 1.00 0.00 N ATOM 795 CA LYS A 48 4.858 -20.547 -1.296 1.00 0.00 C ATOM 796 C LYS A 48 5.339 -20.405 -2.743 1.00 0.00 C ATOM 797 O LYS A 48 6.057 -21.242 -3.251 1.00 0.00 O ATOM 798 CB LYS A 48 3.388 -20.981 -1.287 1.00 0.00 C ATOM 799 CG LYS A 48 2.804 -20.828 0.123 1.00 0.00 C ATOM 800 CD LYS A 48 3.540 -21.758 1.092 1.00 0.00 C ATOM 801 CE LYS A 48 2.725 -21.906 2.378 1.00 0.00 C ATOM 802 NZ LYS A 48 2.372 -20.555 2.900 1.00 0.00 N ATOM 0 H LYS A 48 4.211 -18.594 -0.717 1.00 0.00 H new ATOM 0 HA LYS A 48 5.462 -21.297 -0.785 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.818 -20.377 -1.993 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.304 -22.018 -1.614 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.897 -19.794 0.455 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.740 -21.065 0.114 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.692 -22.734 0.631 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.527 -21.356 1.319 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.819 -22.481 2.183 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.298 -22.457 3.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.064 -20.635 3.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.204 -19.933 2.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.601 -20.153 2.329 1.00 0.00 H new ATOM 816 N GLU A 49 4.950 -19.350 -3.413 1.00 0.00 N ATOM 817 CA GLU A 49 5.388 -19.156 -4.829 1.00 0.00 C ATOM 818 C GLU A 49 6.736 -18.420 -4.839 1.00 0.00 C ATOM 819 O GLU A 49 6.839 -17.289 -5.274 1.00 0.00 O ATOM 820 CB GLU A 49 4.316 -18.345 -5.582 1.00 0.00 C ATOM 821 CG GLU A 49 4.341 -18.685 -7.079 1.00 0.00 C ATOM 822 CD GLU A 49 3.866 -20.124 -7.292 1.00 0.00 C ATOM 823 OE1 GLU A 49 3.117 -20.610 -6.461 1.00 0.00 O ATOM 824 OE2 GLU A 49 4.261 -20.717 -8.283 1.00 0.00 O ATOM 0 H GLU A 49 4.348 -18.615 -3.041 1.00 0.00 H new ATOM 0 HA GLU A 49 5.510 -20.118 -5.326 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.331 -18.562 -5.170 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.493 -17.279 -5.442 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.700 -17.996 -7.629 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.350 -18.564 -7.472 1.00 0.00 H new ATOM 831 N GLN A 50 7.762 -19.052 -4.343 1.00 0.00 N ATOM 832 CA GLN A 50 9.104 -18.400 -4.292 1.00 0.00 C ATOM 833 C GLN A 50 9.421 -17.708 -5.623 1.00 0.00 C ATOM 834 O GLN A 50 10.265 -16.836 -5.689 1.00 0.00 O ATOM 835 CB GLN A 50 10.172 -19.465 -4.025 1.00 0.00 C ATOM 836 CG GLN A 50 9.833 -20.229 -2.743 1.00 0.00 C ATOM 837 CD GLN A 50 10.773 -21.429 -2.602 1.00 0.00 C ATOM 838 OE1 GLN A 50 11.866 -21.425 -3.134 1.00 0.00 O ATOM 839 NE2 GLN A 50 10.391 -22.464 -1.904 1.00 0.00 N ATOM 0 H GLN A 50 7.730 -20.000 -3.967 1.00 0.00 H new ATOM 0 HA GLN A 50 9.098 -17.656 -3.496 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.229 -20.155 -4.867 1.00 0.00 H new ATOM 0 HB3 GLN A 50 11.151 -18.996 -3.931 1.00 0.00 H new ATOM 0 HG2 GLN A 50 9.932 -19.572 -1.879 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.797 -20.566 -2.771 1.00 0.00 H new ATOM 0 HE21 GLN A 50 9.474 -22.468 -1.457 1.00 0.00 H new ATOM 0 HE22 GLN A 50 11.010 -23.269 -1.805 1.00 0.00 H new ATOM 848 N GLU A 51 8.772 -18.098 -6.685 1.00 0.00 N ATOM 849 CA GLU A 51 9.065 -17.470 -8.007 1.00 0.00 C ATOM 850 C GLU A 51 8.479 -16.054 -8.086 1.00 0.00 C ATOM 851 O GLU A 51 8.983 -15.221 -8.812 1.00 0.00 O ATOM 852 CB GLU A 51 8.514 -18.344 -9.133 1.00 0.00 C ATOM 853 CG GLU A 51 8.876 -19.805 -8.860 1.00 0.00 C ATOM 854 CD GLU A 51 8.461 -20.666 -10.053 1.00 0.00 C ATOM 855 OE1 GLU A 51 8.824 -20.316 -11.164 1.00 0.00 O ATOM 856 OE2 GLU A 51 7.788 -21.660 -9.836 1.00 0.00 O ATOM 0 H GLU A 51 8.053 -18.822 -6.696 1.00 0.00 H new ATOM 0 HA GLU A 51 10.146 -17.390 -8.119 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.432 -18.232 -9.200 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.927 -18.027 -10.091 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.948 -19.899 -8.686 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.375 -20.152 -7.956 1.00 0.00 H new ATOM 863 N VAL A 52 7.461 -15.743 -7.333 1.00 0.00 N ATOM 864 CA VAL A 52 6.928 -14.349 -7.379 1.00 0.00 C ATOM 865 C VAL A 52 7.899 -13.447 -6.622 1.00 0.00 C ATOM 866 O VAL A 52 8.315 -12.419 -7.117 1.00 0.00 O ATOM 867 CB VAL A 52 5.559 -14.278 -6.703 1.00 0.00 C ATOM 868 CG1 VAL A 52 5.059 -12.831 -6.715 1.00 0.00 C ATOM 869 CG2 VAL A 52 4.570 -15.160 -7.459 1.00 0.00 C ATOM 0 H VAL A 52 6.981 -16.380 -6.697 1.00 0.00 H new ATOM 0 HA VAL A 52 6.824 -14.032 -8.417 1.00 0.00 H new ATOM 0 HB VAL A 52 5.645 -14.627 -5.674 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.083 -12.779 -6.233 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.764 -12.198 -6.176 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.974 -12.484 -7.745 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.594 -15.109 -6.976 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.485 -14.811 -8.488 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.924 -16.191 -7.453 1.00 0.00 H new ATOM 879 N VAL A 53 8.275 -13.818 -5.433 1.00 0.00 N ATOM 880 CA VAL A 53 9.227 -12.969 -4.673 1.00 0.00 C ATOM 881 C VAL A 53 10.539 -12.896 -5.449 1.00 0.00 C ATOM 882 O VAL A 53 11.230 -11.897 -5.440 1.00 0.00 O ATOM 883 CB VAL A 53 9.473 -13.585 -3.295 1.00 0.00 C ATOM 884 CG1 VAL A 53 10.516 -12.758 -2.540 1.00 0.00 C ATOM 885 CG2 VAL A 53 8.161 -13.596 -2.506 1.00 0.00 C ATOM 0 H VAL A 53 7.967 -14.666 -4.958 1.00 0.00 H new ATOM 0 HA VAL A 53 8.817 -11.967 -4.544 1.00 0.00 H new ATOM 0 HB VAL A 53 9.839 -14.605 -3.412 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.689 -13.199 -1.558 1.00 0.00 H new ATOM 0 HG12 VAL A 53 11.449 -12.748 -3.103 1.00 0.00 H new ATOM 0 HG13 VAL A 53 10.153 -11.737 -2.420 1.00 0.00 H new ATOM 0 HG21 VAL A 53 8.331 -14.034 -1.523 1.00 0.00 H new ATOM 0 HG22 VAL A 53 7.798 -12.575 -2.390 1.00 0.00 H new ATOM 0 HG23 VAL A 53 7.419 -14.187 -3.043 1.00 0.00 H new ATOM 895 N ASP A 54 10.884 -13.957 -6.127 1.00 0.00 N ATOM 896 CA ASP A 54 12.145 -13.965 -6.915 1.00 0.00 C ATOM 897 C ASP A 54 12.100 -12.849 -7.960 1.00 0.00 C ATOM 898 O ASP A 54 13.053 -12.117 -8.142 1.00 0.00 O ATOM 899 CB ASP A 54 12.296 -15.315 -7.619 1.00 0.00 C ATOM 900 CG ASP A 54 13.668 -15.390 -8.293 1.00 0.00 C ATOM 901 OD1 ASP A 54 14.393 -14.412 -8.226 1.00 0.00 O ATOM 902 OD2 ASP A 54 13.969 -16.425 -8.865 1.00 0.00 O ATOM 0 H ASP A 54 10.343 -14.821 -6.168 1.00 0.00 H new ATOM 0 HA ASP A 54 12.992 -13.805 -6.248 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.188 -16.126 -6.899 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.507 -15.440 -8.361 1.00 0.00 H new ATOM 907 N LYS A 55 11.002 -12.719 -8.659 1.00 0.00 N ATOM 908 CA LYS A 55 10.907 -11.656 -9.699 1.00 0.00 C ATOM 909 C LYS A 55 10.887 -10.282 -9.031 1.00 0.00 C ATOM 910 O LYS A 55 11.337 -9.309 -9.603 1.00 0.00 O ATOM 911 CB LYS A 55 9.647 -11.852 -10.543 1.00 0.00 C ATOM 912 CG LYS A 55 9.776 -13.136 -11.364 1.00 0.00 C ATOM 913 CD LYS A 55 8.454 -13.422 -12.078 1.00 0.00 C ATOM 914 CE LYS A 55 8.541 -14.768 -12.799 1.00 0.00 C ATOM 915 NZ LYS A 55 8.823 -15.844 -11.808 1.00 0.00 N ATOM 0 H LYS A 55 10.171 -13.301 -8.554 1.00 0.00 H new ATOM 0 HA LYS A 55 11.776 -11.721 -10.354 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.770 -11.907 -9.898 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.503 -10.998 -11.205 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.580 -13.035 -12.093 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.038 -13.971 -10.714 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.636 -13.436 -11.358 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.236 -12.629 -12.793 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.606 -14.975 -13.320 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.327 -14.738 -13.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.228 -16.671 -12.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.825 -16.116 -11.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.613 -15.497 -10.850 1.00 0.00 H new ATOM 929 N VAL A 56 10.420 -10.182 -7.816 1.00 0.00 N ATOM 930 CA VAL A 56 10.442 -8.859 -7.134 1.00 0.00 C ATOM 931 C VAL A 56 11.905 -8.456 -6.956 1.00 0.00 C ATOM 932 O VAL A 56 12.329 -7.405 -7.394 1.00 0.00 O ATOM 933 CB VAL A 56 9.769 -8.972 -5.761 1.00 0.00 C ATOM 934 CG1 VAL A 56 10.001 -7.682 -4.968 1.00 0.00 C ATOM 935 CG2 VAL A 56 8.265 -9.188 -5.951 1.00 0.00 C ATOM 0 H VAL A 56 10.028 -10.951 -7.272 1.00 0.00 H new ATOM 0 HA VAL A 56 9.906 -8.115 -7.723 1.00 0.00 H new ATOM 0 HB VAL A 56 10.195 -9.814 -5.215 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.522 -7.764 -3.992 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.071 -7.524 -4.835 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.575 -6.839 -5.512 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.783 -9.269 -4.977 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.842 -8.344 -6.496 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.098 -10.105 -6.516 1.00 0.00 H new ATOM 945 N MET A 57 12.679 -9.291 -6.318 1.00 0.00 N ATOM 946 CA MET A 57 14.116 -8.965 -6.112 1.00 0.00 C ATOM 947 C MET A 57 14.747 -8.603 -7.461 1.00 0.00 C ATOM 948 O MET A 57 15.669 -7.814 -7.530 1.00 0.00 O ATOM 949 CB MET A 57 14.833 -10.187 -5.502 1.00 0.00 C ATOM 950 CG MET A 57 14.792 -10.121 -3.969 1.00 0.00 C ATOM 951 SD MET A 57 13.123 -9.692 -3.415 1.00 0.00 S ATOM 952 CE MET A 57 13.476 -9.662 -1.639 1.00 0.00 C ATOM 0 H MET A 57 12.377 -10.185 -5.931 1.00 0.00 H new ATOM 0 HA MET A 57 14.213 -8.119 -5.432 1.00 0.00 H new ATOM 0 HB2 MET A 57 14.357 -11.105 -5.846 1.00 0.00 H new ATOM 0 HB3 MET A 57 15.868 -10.218 -5.844 1.00 0.00 H new ATOM 0 HG2 MET A 57 15.089 -11.081 -3.547 1.00 0.00 H new ATOM 0 HG3 MET A 57 15.506 -9.380 -3.609 1.00 0.00 H new ATOM 0 HE1 MET A 57 12.567 -9.413 -1.092 1.00 0.00 H new ATOM 0 HE2 MET A 57 13.833 -10.642 -1.322 1.00 0.00 H new ATOM 0 HE3 MET A 57 14.241 -8.913 -1.433 1.00 0.00 H new ATOM 962 N GLU A 58 14.243 -9.152 -8.543 1.00 0.00 N ATOM 963 CA GLU A 58 14.799 -8.814 -9.888 1.00 0.00 C ATOM 964 C GLU A 58 14.093 -7.568 -10.424 1.00 0.00 C ATOM 965 O GLU A 58 14.706 -6.709 -11.023 1.00 0.00 O ATOM 966 CB GLU A 58 14.611 -9.987 -10.852 1.00 0.00 C ATOM 967 CG GLU A 58 15.516 -9.796 -12.071 1.00 0.00 C ATOM 968 CD GLU A 58 15.298 -10.945 -13.057 1.00 0.00 C ATOM 969 OE1 GLU A 58 15.847 -12.010 -12.826 1.00 0.00 O ATOM 970 OE2 GLU A 58 14.586 -10.741 -14.027 1.00 0.00 O ATOM 0 H GLU A 58 13.471 -9.819 -8.550 1.00 0.00 H new ATOM 0 HA GLU A 58 15.867 -8.615 -9.798 1.00 0.00 H new ATOM 0 HB2 GLU A 58 14.851 -10.925 -10.351 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.569 -10.050 -11.166 1.00 0.00 H new ATOM 0 HG2 GLU A 58 15.297 -8.843 -12.553 1.00 0.00 H new ATOM 0 HG3 GLU A 58 16.560 -9.764 -11.760 1.00 0.00 H new ATOM 977 N THR A 59 12.812 -7.448 -10.201 1.00 0.00 N ATOM 978 CA THR A 59 12.092 -6.240 -10.688 1.00 0.00 C ATOM 979 C THR A 59 12.614 -5.034 -9.911 1.00 0.00 C ATOM 980 O THR A 59 12.885 -3.996 -10.481 1.00 0.00 O ATOM 981 CB THR A 59 10.584 -6.404 -10.479 1.00 0.00 C ATOM 982 OG1 THR A 59 10.150 -7.601 -11.111 1.00 0.00 O ATOM 983 CG2 THR A 59 9.845 -5.210 -11.084 1.00 0.00 C ATOM 0 H THR A 59 12.237 -8.130 -9.706 1.00 0.00 H new ATOM 0 HA THR A 59 12.266 -6.099 -11.755 1.00 0.00 H new ATOM 0 HB THR A 59 10.370 -6.454 -9.411 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.277 -8.358 -10.501 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.772 -5.331 -10.933 1.00 0.00 H new ATOM 0 HG22 THR A 59 10.178 -4.292 -10.599 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.057 -5.154 -12.152 1.00 0.00 H new ATOM 991 N LEU A 60 12.805 -5.162 -8.631 1.00 0.00 N ATOM 992 CA LEU A 60 13.363 -4.027 -7.851 1.00 0.00 C ATOM 993 C LEU A 60 14.813 -3.810 -8.289 1.00 0.00 C ATOM 994 O LEU A 60 15.180 -2.740 -8.734 1.00 0.00 O ATOM 995 CB LEU A 60 13.318 -4.382 -6.356 1.00 0.00 C ATOM 996 CG LEU A 60 14.072 -3.333 -5.524 1.00 0.00 C ATOM 997 CD1 LEU A 60 13.530 -1.929 -5.825 1.00 0.00 C ATOM 998 CD2 LEU A 60 13.877 -3.645 -4.037 1.00 0.00 C ATOM 0 H LEU A 60 12.599 -6.003 -8.091 1.00 0.00 H new ATOM 0 HA LEU A 60 12.785 -3.119 -8.023 1.00 0.00 H new ATOM 0 HB2 LEU A 60 12.282 -4.441 -6.023 1.00 0.00 H new ATOM 0 HB3 LEU A 60 13.761 -5.365 -6.197 1.00 0.00 H new ATOM 0 HG LEU A 60 15.131 -3.364 -5.778 1.00 0.00 H new ATOM 0 HD11 LEU A 60 14.072 -1.194 -5.230 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.663 -1.707 -6.884 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.470 -1.887 -5.576 1.00 0.00 H new ATOM 0 HD21 LEU A 60 14.408 -2.906 -3.437 1.00 0.00 H new ATOM 0 HD22 LEU A 60 12.815 -3.613 -3.795 1.00 0.00 H new ATOM 0 HD23 LEU A 60 14.269 -4.639 -3.819 1.00 0.00 H new ATOM 1010 N ASP A 61 15.642 -4.813 -8.175 1.00 0.00 N ATOM 1011 CA ASP A 61 17.061 -4.649 -8.595 1.00 0.00 C ATOM 1012 C ASP A 61 17.104 -4.065 -10.009 1.00 0.00 C ATOM 1013 O ASP A 61 18.102 -3.517 -10.432 1.00 0.00 O ATOM 1014 CB ASP A 61 17.762 -6.010 -8.582 1.00 0.00 C ATOM 1015 CG ASP A 61 17.977 -6.459 -7.135 1.00 0.00 C ATOM 1016 OD1 ASP A 61 17.598 -5.718 -6.243 1.00 0.00 O ATOM 1017 OD2 ASP A 61 18.518 -7.535 -6.944 1.00 0.00 O ATOM 0 H ASP A 61 15.398 -5.734 -7.811 1.00 0.00 H new ATOM 0 HA ASP A 61 17.570 -3.976 -7.905 1.00 0.00 H new ATOM 0 HB2 ASP A 61 17.161 -6.746 -9.117 1.00 0.00 H new ATOM 0 HB3 ASP A 61 18.719 -5.943 -9.099 1.00 0.00 H new ATOM 1022 N GLU A 62 16.020 -4.176 -10.741 1.00 0.00 N ATOM 1023 CA GLU A 62 15.979 -3.629 -12.135 1.00 0.00 C ATOM 1024 C GLU A 62 15.235 -2.301 -12.124 1.00 0.00 C ATOM 1025 O GLU A 62 14.425 -2.003 -12.978 1.00 0.00 O ATOM 1026 CB GLU A 62 15.253 -4.587 -13.035 1.00 0.00 C ATOM 1027 CG GLU A 62 16.152 -5.778 -13.368 1.00 0.00 C ATOM 1028 CD GLU A 62 15.359 -6.805 -14.178 1.00 0.00 C ATOM 1029 OE1 GLU A 62 14.167 -6.607 -14.343 1.00 0.00 O ATOM 1030 OE2 GLU A 62 15.959 -7.771 -14.621 1.00 0.00 O ATOM 0 H GLU A 62 15.158 -4.624 -10.431 1.00 0.00 H new ATOM 0 HA GLU A 62 16.997 -3.488 -12.499 1.00 0.00 H new ATOM 0 HB2 GLU A 62 14.341 -4.934 -12.550 1.00 0.00 H new ATOM 0 HB3 GLU A 62 14.953 -4.080 -13.952 1.00 0.00 H new ATOM 0 HG2 GLU A 62 17.021 -5.444 -13.935 1.00 0.00 H new ATOM 0 HG3 GLU A 62 16.526 -6.233 -12.451 1.00 0.00 H new ATOM 1037 N ASP A 63 15.529 -1.520 -11.162 1.00 0.00 N ATOM 1038 CA ASP A 63 14.888 -0.178 -11.025 1.00 0.00 C ATOM 1039 C ASP A 63 14.853 0.511 -12.392 1.00 0.00 C ATOM 1040 O ASP A 63 13.926 1.223 -12.722 1.00 0.00 O ATOM 1041 CB ASP A 63 15.751 0.665 -10.074 1.00 0.00 C ATOM 1042 CG ASP A 63 14.981 1.915 -9.636 1.00 0.00 C ATOM 1043 OD1 ASP A 63 13.762 1.883 -9.673 1.00 0.00 O ATOM 1044 OD2 ASP A 63 15.626 2.882 -9.267 1.00 0.00 O ATOM 0 H ASP A 63 16.205 -1.743 -10.431 1.00 0.00 H new ATOM 0 HA ASP A 63 13.873 -0.283 -10.642 1.00 0.00 H new ATOM 0 HB2 ASP A 63 16.028 0.074 -9.201 1.00 0.00 H new ATOM 0 HB3 ASP A 63 16.677 0.954 -10.570 1.00 0.00 H new ATOM 1049 N GLY A 64 15.846 0.247 -13.195 1.00 0.00 N ATOM 1050 CA GLY A 64 15.914 0.817 -14.580 1.00 0.00 C ATOM 1051 C GLY A 64 15.715 2.342 -14.602 1.00 0.00 C ATOM 1052 O GLY A 64 15.939 2.970 -15.618 1.00 0.00 O ATOM 0 H GLY A 64 16.633 -0.353 -12.948 1.00 0.00 H new ATOM 0 HA2 GLY A 64 16.880 0.574 -15.022 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.152 0.346 -15.201 1.00 0.00 H new ATOM 1056 N ASP A 65 15.310 2.954 -13.509 1.00 0.00 N ATOM 1057 CA ASP A 65 15.113 4.453 -13.504 1.00 0.00 C ATOM 1058 C ASP A 65 16.239 5.185 -12.728 1.00 0.00 C ATOM 1059 O ASP A 65 16.567 6.303 -13.073 1.00 0.00 O ATOM 1060 CB ASP A 65 13.770 4.771 -12.844 1.00 0.00 C ATOM 1061 CG ASP A 65 13.631 3.966 -11.551 1.00 0.00 C ATOM 1062 OD1 ASP A 65 14.293 4.313 -10.587 1.00 0.00 O ATOM 1063 OD2 ASP A 65 12.864 3.018 -11.546 1.00 0.00 O ATOM 0 H ASP A 65 15.108 2.488 -12.624 1.00 0.00 H new ATOM 0 HA ASP A 65 15.137 4.800 -14.537 1.00 0.00 H new ATOM 0 HB2 ASP A 65 13.702 5.838 -12.629 1.00 0.00 H new ATOM 0 HB3 ASP A 65 12.953 4.530 -13.524 1.00 0.00 H new ATOM 1068 N GLY A 66 16.836 4.611 -11.696 1.00 0.00 N ATOM 1069 CA GLY A 66 17.919 5.332 -10.946 1.00 0.00 C ATOM 1070 C GLY A 66 17.368 5.813 -9.601 1.00 0.00 C ATOM 1071 O GLY A 66 18.103 6.003 -8.653 1.00 0.00 O ATOM 0 H GLY A 66 16.617 3.678 -11.346 1.00 0.00 H new ATOM 0 HA2 GLY A 66 18.770 4.670 -10.788 1.00 0.00 H new ATOM 0 HA3 GLY A 66 18.279 6.180 -11.529 1.00 0.00 H new ATOM 1075 N GLU A 67 16.074 5.995 -9.502 1.00 0.00 N ATOM 1076 CA GLU A 67 15.477 6.446 -8.203 1.00 0.00 C ATOM 1077 C GLU A 67 14.064 5.871 -8.056 1.00 0.00 C ATOM 1078 O GLU A 67 13.259 5.967 -8.961 1.00 0.00 O ATOM 1079 CB GLU A 67 15.415 7.974 -8.175 1.00 0.00 C ATOM 1080 CG GLU A 67 16.835 8.541 -8.191 1.00 0.00 C ATOM 1081 CD GLU A 67 16.791 10.039 -7.883 1.00 0.00 C ATOM 1082 OE1 GLU A 67 16.632 10.811 -8.814 1.00 0.00 O ATOM 1083 OE2 GLU A 67 16.917 10.388 -6.720 1.00 0.00 O ATOM 0 H GLU A 67 15.407 5.852 -10.260 1.00 0.00 H new ATOM 0 HA GLU A 67 16.096 6.092 -7.378 1.00 0.00 H new ATOM 0 HB2 GLU A 67 14.855 8.342 -9.035 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.887 8.311 -7.283 1.00 0.00 H new ATOM 0 HG2 GLU A 67 17.452 8.026 -7.455 1.00 0.00 H new ATOM 0 HG3 GLU A 67 17.294 8.373 -9.165 1.00 0.00 H new ATOM 1090 N CYS A 68 13.751 5.278 -6.925 1.00 0.00 N ATOM 1091 CA CYS A 68 12.381 4.699 -6.721 1.00 0.00 C ATOM 1092 C CYS A 68 11.578 5.607 -5.784 1.00 0.00 C ATOM 1093 O CYS A 68 12.019 5.948 -4.704 1.00 0.00 O ATOM 1094 CB CYS A 68 12.504 3.308 -6.097 1.00 0.00 C ATOM 1095 SG CYS A 68 13.795 2.377 -6.958 1.00 0.00 S ATOM 0 H CYS A 68 14.386 5.170 -6.134 1.00 0.00 H new ATOM 0 HA CYS A 68 11.871 4.624 -7.682 1.00 0.00 H new ATOM 0 HB2 CYS A 68 12.746 3.392 -5.038 1.00 0.00 H new ATOM 0 HB3 CYS A 68 11.552 2.781 -6.166 1.00 0.00 H new ATOM 0 HG CYS A 68 13.347 1.978 -8.111 1.00 0.00 H new ATOM 1101 N ASP A 69 10.406 6.012 -6.196 1.00 0.00 N ATOM 1102 CA ASP A 69 9.576 6.912 -5.340 1.00 0.00 C ATOM 1103 C ASP A 69 8.737 6.091 -4.354 1.00 0.00 C ATOM 1104 O ASP A 69 8.890 4.892 -4.232 1.00 0.00 O ATOM 1105 CB ASP A 69 8.640 7.735 -6.227 1.00 0.00 C ATOM 1106 CG ASP A 69 9.467 8.586 -7.191 1.00 0.00 C ATOM 1107 OD1 ASP A 69 9.796 8.089 -8.256 1.00 0.00 O ATOM 1108 OD2 ASP A 69 9.756 9.720 -6.850 1.00 0.00 O ATOM 0 H ASP A 69 9.986 5.758 -7.090 1.00 0.00 H new ATOM 0 HA ASP A 69 10.239 7.571 -4.780 1.00 0.00 H new ATOM 0 HB2 ASP A 69 7.977 7.074 -6.786 1.00 0.00 H new ATOM 0 HB3 ASP A 69 8.008 8.375 -5.611 1.00 0.00 H new ATOM 1113 N PHE A 70 7.841 6.741 -3.657 1.00 0.00 N ATOM 1114 CA PHE A 70 6.966 6.027 -2.679 1.00 0.00 C ATOM 1115 C PHE A 70 5.913 5.225 -3.452 1.00 0.00 C ATOM 1116 O PHE A 70 5.547 4.136 -3.056 1.00 0.00 O ATOM 1117 CB PHE A 70 6.291 7.067 -1.769 1.00 0.00 C ATOM 1118 CG PHE A 70 5.730 6.436 -0.507 1.00 0.00 C ATOM 1119 CD1 PHE A 70 4.640 5.556 -0.577 1.00 0.00 C ATOM 1120 CD2 PHE A 70 6.286 6.756 0.743 1.00 0.00 C ATOM 1121 CE1 PHE A 70 4.111 5.000 0.594 1.00 0.00 C ATOM 1122 CE2 PHE A 70 5.755 6.197 1.912 1.00 0.00 C ATOM 1123 CZ PHE A 70 4.667 5.321 1.837 1.00 0.00 C ATOM 0 H PHE A 70 7.677 7.745 -3.724 1.00 0.00 H new ATOM 0 HA PHE A 70 7.551 5.343 -2.064 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.014 7.837 -1.499 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.488 7.561 -2.316 1.00 0.00 H new ATOM 0 HD1 PHE A 70 4.208 5.307 -1.535 1.00 0.00 H new ATOM 0 HD2 PHE A 70 7.124 7.434 0.802 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.272 4.322 0.538 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.186 6.442 2.872 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.256 4.892 2.739 1.00 0.00 H new ATOM 1133 N GLN A 71 5.428 5.735 -4.547 1.00 0.00 N ATOM 1134 CA GLN A 71 4.408 4.973 -5.322 1.00 0.00 C ATOM 1135 C GLN A 71 4.997 3.621 -5.742 1.00 0.00 C ATOM 1136 O GLN A 71 4.315 2.615 -5.752 1.00 0.00 O ATOM 1137 CB GLN A 71 4.013 5.779 -6.566 1.00 0.00 C ATOM 1138 CG GLN A 71 2.938 5.032 -7.365 1.00 0.00 C ATOM 1139 CD GLN A 71 1.682 4.859 -6.509 1.00 0.00 C ATOM 1140 OE1 GLN A 71 1.146 5.821 -5.994 1.00 0.00 O ATOM 1141 NE2 GLN A 71 1.187 3.665 -6.334 1.00 0.00 N ATOM 0 H GLN A 71 5.690 6.640 -4.938 1.00 0.00 H new ATOM 0 HA GLN A 71 3.524 4.804 -4.706 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.640 6.759 -6.269 1.00 0.00 H new ATOM 0 HB3 GLN A 71 4.889 5.948 -7.192 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.697 5.585 -8.273 1.00 0.00 H new ATOM 0 HG3 GLN A 71 3.314 4.057 -7.676 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.637 2.858 -6.766 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.350 3.538 -5.765 1.00 0.00 H new ATOM 1150 N GLU A 72 6.254 3.585 -6.088 1.00 0.00 N ATOM 1151 CA GLU A 72 6.878 2.294 -6.503 1.00 0.00 C ATOM 1152 C GLU A 72 7.104 1.395 -5.280 1.00 0.00 C ATOM 1153 O GLU A 72 7.136 0.187 -5.384 1.00 0.00 O ATOM 1154 CB GLU A 72 8.211 2.567 -7.201 1.00 0.00 C ATOM 1155 CG GLU A 72 7.956 3.344 -8.493 1.00 0.00 C ATOM 1156 CD GLU A 72 9.284 3.588 -9.212 1.00 0.00 C ATOM 1157 OE1 GLU A 72 10.178 2.772 -9.057 1.00 0.00 O ATOM 1158 OE2 GLU A 72 9.385 4.586 -9.906 1.00 0.00 O ATOM 0 H GLU A 72 6.877 4.392 -6.102 1.00 0.00 H new ATOM 0 HA GLU A 72 6.207 1.783 -7.194 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.868 3.137 -6.544 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.718 1.628 -7.422 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.278 2.785 -9.138 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.472 4.294 -8.269 1.00 0.00 H new ATOM 1165 N PHE A 73 7.226 1.981 -4.120 1.00 0.00 N ATOM 1166 CA PHE A 73 7.418 1.177 -2.874 1.00 0.00 C ATOM 1167 C PHE A 73 6.081 0.556 -2.457 1.00 0.00 C ATOM 1168 O PHE A 73 6.035 -0.591 -2.058 1.00 0.00 O ATOM 1169 CB PHE A 73 7.986 2.069 -1.760 1.00 0.00 C ATOM 1170 CG PHE A 73 7.811 1.416 -0.401 1.00 0.00 C ATOM 1171 CD1 PHE A 73 8.311 0.128 -0.170 1.00 0.00 C ATOM 1172 CD2 PHE A 73 7.151 2.102 0.628 1.00 0.00 C ATOM 1173 CE1 PHE A 73 8.153 -0.471 1.085 1.00 0.00 C ATOM 1174 CE2 PHE A 73 6.994 1.502 1.883 1.00 0.00 C ATOM 1175 CZ PHE A 73 7.495 0.216 2.111 1.00 0.00 C ATOM 0 H PHE A 73 7.201 2.991 -3.979 1.00 0.00 H new ATOM 0 HA PHE A 73 8.130 0.373 -3.059 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.044 2.258 -1.944 1.00 0.00 H new ATOM 0 HB3 PHE A 73 7.483 3.036 -1.771 1.00 0.00 H new ATOM 0 HD1 PHE A 73 8.819 -0.403 -0.961 1.00 0.00 H new ATOM 0 HD2 PHE A 73 6.763 3.095 0.452 1.00 0.00 H new ATOM 0 HE1 PHE A 73 8.539 -1.464 1.262 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.486 2.032 2.675 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.374 -0.247 3.079 1.00 0.00 H new ATOM 1185 N MET A 74 4.998 1.265 -2.544 1.00 0.00 N ATOM 1186 CA MET A 74 3.711 0.631 -2.144 1.00 0.00 C ATOM 1187 C MET A 74 3.395 -0.497 -3.128 1.00 0.00 C ATOM 1188 O MET A 74 2.738 -1.455 -2.771 1.00 0.00 O ATOM 1189 CB MET A 74 2.580 1.661 -2.141 1.00 0.00 C ATOM 1190 CG MET A 74 1.389 1.117 -1.341 1.00 0.00 C ATOM 1191 SD MET A 74 1.645 1.452 0.425 1.00 0.00 S ATOM 1192 CE MET A 74 1.750 -0.262 1.009 1.00 0.00 C ATOM 0 H MET A 74 4.942 2.231 -2.865 1.00 0.00 H new ATOM 0 HA MET A 74 3.802 0.230 -1.135 1.00 0.00 H new ATOM 0 HB2 MET A 74 2.928 2.597 -1.703 1.00 0.00 H new ATOM 0 HB3 MET A 74 2.273 1.882 -3.163 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.465 1.584 -1.681 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.284 0.045 -1.508 1.00 0.00 H new ATOM 0 HE1 MET A 74 1.432 -0.312 2.050 1.00 0.00 H new ATOM 0 HE2 MET A 74 1.102 -0.894 0.401 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.779 -0.612 0.927 1.00 0.00 H new ATOM 1202 N ALA A 75 3.862 -0.435 -4.340 1.00 0.00 N ATOM 1203 CA ALA A 75 3.589 -1.548 -5.296 1.00 0.00 C ATOM 1204 C ALA A 75 4.464 -2.762 -4.953 1.00 0.00 C ATOM 1205 O ALA A 75 3.987 -3.879 -4.923 1.00 0.00 O ATOM 1206 CB ALA A 75 3.905 -1.080 -6.717 1.00 0.00 C ATOM 0 H ALA A 75 4.419 0.334 -4.713 1.00 0.00 H new ATOM 0 HA ALA A 75 2.540 -1.834 -5.225 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.707 -1.890 -7.419 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.279 -0.223 -6.966 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.955 -0.793 -6.781 1.00 0.00 H new ATOM 1212 N PHE A 76 5.731 -2.573 -4.691 1.00 0.00 N ATOM 1213 CA PHE A 76 6.588 -3.751 -4.353 1.00 0.00 C ATOM 1214 C PHE A 76 6.097 -4.377 -3.045 1.00 0.00 C ATOM 1215 O PHE A 76 6.175 -5.574 -2.855 1.00 0.00 O ATOM 1216 CB PHE A 76 8.056 -3.323 -4.192 1.00 0.00 C ATOM 1217 CG PHE A 76 8.676 -3.039 -5.547 1.00 0.00 C ATOM 1218 CD1 PHE A 76 8.753 -4.051 -6.516 1.00 0.00 C ATOM 1219 CD2 PHE A 76 9.175 -1.759 -5.837 1.00 0.00 C ATOM 1220 CE1 PHE A 76 9.323 -3.782 -7.765 1.00 0.00 C ATOM 1221 CE2 PHE A 76 9.746 -1.495 -7.087 1.00 0.00 C ATOM 1222 CZ PHE A 76 9.819 -2.506 -8.051 1.00 0.00 C ATOM 0 H PHE A 76 6.205 -1.670 -4.696 1.00 0.00 H new ATOM 0 HA PHE A 76 6.521 -4.477 -5.163 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.115 -2.434 -3.564 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.617 -4.109 -3.686 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.372 -5.038 -6.298 1.00 0.00 H new ATOM 0 HD2 PHE A 76 9.118 -0.977 -5.094 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.380 -4.562 -8.510 1.00 0.00 H new ATOM 0 HE2 PHE A 76 10.131 -0.510 -7.308 1.00 0.00 H new ATOM 0 HZ PHE A 76 10.258 -2.301 -9.016 1.00 0.00 H new ATOM 1232 N VAL A 77 5.586 -3.585 -2.147 1.00 0.00 N ATOM 1233 CA VAL A 77 5.088 -4.153 -0.861 1.00 0.00 C ATOM 1234 C VAL A 77 3.861 -5.031 -1.138 1.00 0.00 C ATOM 1235 O VAL A 77 3.653 -6.041 -0.496 1.00 0.00 O ATOM 1236 CB VAL A 77 4.707 -3.009 0.090 1.00 0.00 C ATOM 1237 CG1 VAL A 77 3.917 -3.556 1.285 1.00 0.00 C ATOM 1238 CG2 VAL A 77 5.978 -2.332 0.601 1.00 0.00 C ATOM 0 H VAL A 77 5.491 -2.574 -2.244 1.00 0.00 H new ATOM 0 HA VAL A 77 5.868 -4.758 -0.398 1.00 0.00 H new ATOM 0 HB VAL A 77 4.091 -2.290 -0.450 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.652 -2.736 1.952 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.008 -4.042 0.929 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.528 -4.280 1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.711 -1.519 1.276 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.589 -3.060 1.134 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.542 -1.933 -0.242 1.00 0.00 H new ATOM 1248 N SER A 78 3.045 -4.652 -2.083 1.00 0.00 N ATOM 1249 CA SER A 78 1.832 -5.464 -2.387 1.00 0.00 C ATOM 1250 C SER A 78 2.233 -6.774 -3.075 1.00 0.00 C ATOM 1251 O SER A 78 1.874 -7.849 -2.636 1.00 0.00 O ATOM 1252 CB SER A 78 0.908 -4.668 -3.310 1.00 0.00 C ATOM 1253 OG SER A 78 1.438 -4.680 -4.629 1.00 0.00 O ATOM 0 H SER A 78 3.165 -3.817 -2.657 1.00 0.00 H new ATOM 0 HA SER A 78 1.315 -5.695 -1.456 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.092 -5.101 -3.304 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.814 -3.642 -2.953 1.00 0.00 H new ATOM 0 HG SER A 78 1.086 -5.454 -5.116 1.00 0.00 H new ATOM 1259 N MET A 79 2.950 -6.694 -4.161 1.00 0.00 N ATOM 1260 CA MET A 79 3.344 -7.936 -4.888 1.00 0.00 C ATOM 1261 C MET A 79 3.971 -8.944 -3.924 1.00 0.00 C ATOM 1262 O MET A 79 3.744 -10.132 -4.030 1.00 0.00 O ATOM 1263 CB MET A 79 4.360 -7.588 -5.981 1.00 0.00 C ATOM 1264 CG MET A 79 3.709 -6.688 -7.035 1.00 0.00 C ATOM 1265 SD MET A 79 4.699 -6.732 -8.555 1.00 0.00 S ATOM 1266 CE MET A 79 5.213 -4.995 -8.581 1.00 0.00 C ATOM 0 H MET A 79 3.281 -5.824 -4.577 1.00 0.00 H new ATOM 0 HA MET A 79 2.452 -8.377 -5.334 1.00 0.00 H new ATOM 0 HB2 MET A 79 5.220 -7.083 -5.542 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.730 -8.500 -6.449 1.00 0.00 H new ATOM 0 HG2 MET A 79 2.693 -7.024 -7.239 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.638 -5.666 -6.663 1.00 0.00 H new ATOM 0 HE1 MET A 79 5.840 -4.814 -9.454 1.00 0.00 H new ATOM 0 HE2 MET A 79 4.332 -4.355 -8.629 1.00 0.00 H new ATOM 0 HE3 MET A 79 5.777 -4.769 -7.676 1.00 0.00 H new ATOM 1276 N VAL A 80 4.761 -8.491 -2.993 1.00 0.00 N ATOM 1277 CA VAL A 80 5.399 -9.446 -2.040 1.00 0.00 C ATOM 1278 C VAL A 80 4.361 -9.951 -1.037 1.00 0.00 C ATOM 1279 O VAL A 80 4.308 -11.124 -0.729 1.00 0.00 O ATOM 1280 CB VAL A 80 6.532 -8.743 -1.287 1.00 0.00 C ATOM 1281 CG1 VAL A 80 7.164 -9.717 -0.288 1.00 0.00 C ATOM 1282 CG2 VAL A 80 7.595 -8.274 -2.283 1.00 0.00 C ATOM 0 H VAL A 80 4.993 -7.508 -2.849 1.00 0.00 H new ATOM 0 HA VAL A 80 5.802 -10.291 -2.599 1.00 0.00 H new ATOM 0 HB VAL A 80 6.131 -7.882 -0.752 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.970 -9.216 0.248 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.408 -10.050 0.423 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.564 -10.578 -0.823 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.401 -7.774 -1.746 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.995 -9.134 -2.820 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.147 -7.580 -2.994 1.00 0.00 H new ATOM 1292 N THR A 81 3.528 -9.088 -0.530 1.00 0.00 N ATOM 1293 CA THR A 81 2.496 -9.552 0.437 1.00 0.00 C ATOM 1294 C THR A 81 1.486 -10.423 -0.311 1.00 0.00 C ATOM 1295 O THR A 81 1.066 -11.459 0.165 1.00 0.00 O ATOM 1296 CB THR A 81 1.782 -8.345 1.053 1.00 0.00 C ATOM 1297 OG1 THR A 81 2.742 -7.356 1.399 1.00 0.00 O ATOM 1298 CG2 THR A 81 1.023 -8.782 2.308 1.00 0.00 C ATOM 0 H THR A 81 3.516 -8.090 -0.740 1.00 0.00 H new ATOM 0 HA THR A 81 2.966 -10.127 1.235 1.00 0.00 H new ATOM 0 HB THR A 81 1.077 -7.933 0.331 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.704 -6.622 0.750 1.00 0.00 H new ATOM 0 HG21 THR A 81 0.516 -7.922 2.745 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.287 -9.541 2.042 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.725 -9.195 3.032 1.00 0.00 H new ATOM 1306 N THR A 82 1.100 -10.006 -1.486 1.00 0.00 N ATOM 1307 CA THR A 82 0.123 -10.797 -2.284 1.00 0.00 C ATOM 1308 C THR A 82 0.804 -12.051 -2.840 1.00 0.00 C ATOM 1309 O THR A 82 0.152 -13.014 -3.193 1.00 0.00 O ATOM 1310 CB THR A 82 -0.406 -9.944 -3.439 1.00 0.00 C ATOM 1311 OG1 THR A 82 0.684 -9.485 -4.226 1.00 0.00 O ATOM 1312 CG2 THR A 82 -1.177 -8.747 -2.879 1.00 0.00 C ATOM 0 H THR A 82 1.422 -9.146 -1.929 1.00 0.00 H new ATOM 0 HA THR A 82 -0.708 -11.094 -1.644 1.00 0.00 H new ATOM 0 HB THR A 82 -1.072 -10.544 -4.059 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.167 -8.785 -3.739 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.554 -8.140 -3.702 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.014 -9.102 -2.278 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.514 -8.145 -2.258 1.00 0.00 H new ATOM 1320 N ALA A 83 2.110 -12.056 -2.918 1.00 0.00 N ATOM 1321 CA ALA A 83 2.811 -13.261 -3.446 1.00 0.00 C ATOM 1322 C ALA A 83 2.362 -14.476 -2.641 1.00 0.00 C ATOM 1323 O ALA A 83 2.314 -15.585 -3.136 1.00 0.00 O ATOM 1324 CB ALA A 83 4.324 -13.090 -3.298 1.00 0.00 C ATOM 0 H ALA A 83 2.716 -11.284 -2.641 1.00 0.00 H new ATOM 0 HA ALA A 83 2.569 -13.394 -4.501 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.830 -13.974 -3.686 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.647 -12.212 -3.858 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.574 -12.961 -2.245 1.00 0.00 H new ATOM 1481 N SER B 1 8.488 -5.086 14.179 1.00 0.00 N ATOM 1482 CA SER B 1 8.600 -3.602 14.239 1.00 0.00 C ATOM 1483 C SER B 1 7.197 -2.997 14.206 1.00 0.00 C ATOM 1484 O SER B 1 6.219 -3.689 14.002 1.00 0.00 O ATOM 1485 CB SER B 1 9.407 -3.095 13.043 1.00 0.00 C ATOM 1486 OG SER B 1 8.561 -3.030 11.902 1.00 0.00 O ATOM 0 H1 SER B 1 9.162 -5.512 14.847 1.00 0.00 H new ATOM 0 H2 SER B 1 7.521 -5.372 14.433 1.00 0.00 H new ATOM 0 H3 SER B 1 8.703 -5.412 13.215 1.00 0.00 H new ATOM 0 HA SER B 1 9.107 -3.309 15.158 1.00 0.00 H new ATOM 0 HB2 SER B 1 9.822 -2.110 13.260 1.00 0.00 H new ATOM 0 HB3 SER B 1 10.249 -3.760 12.849 1.00 0.00 H new ATOM 0 HG SER B 1 8.866 -2.311 11.309 1.00 0.00 H new ATOM 1492 N GLU B 2 7.082 -1.714 14.409 1.00 0.00 N ATOM 1493 CA GLU B 2 5.733 -1.086 14.389 1.00 0.00 C ATOM 1494 C GLU B 2 5.132 -1.222 12.990 1.00 0.00 C ATOM 1495 O GLU B 2 3.940 -1.377 12.827 1.00 0.00 O ATOM 1496 CB GLU B 2 5.850 0.394 14.756 1.00 0.00 C ATOM 1497 CG GLU B 2 6.573 0.531 16.097 1.00 0.00 C ATOM 1498 CD GLU B 2 6.718 2.013 16.449 1.00 0.00 C ATOM 1499 OE1 GLU B 2 5.811 2.547 17.066 1.00 0.00 O ATOM 1500 OE2 GLU B 2 7.733 2.590 16.094 1.00 0.00 O ATOM 0 H GLU B 2 7.859 -1.077 14.587 1.00 0.00 H new ATOM 0 HA GLU B 2 5.088 -1.585 15.112 1.00 0.00 H new ATOM 0 HB2 GLU B 2 6.396 0.930 13.980 1.00 0.00 H new ATOM 0 HB3 GLU B 2 4.859 0.844 14.817 1.00 0.00 H new ATOM 0 HG2 GLU B 2 6.015 0.014 16.878 1.00 0.00 H new ATOM 0 HG3 GLU B 2 7.555 0.061 16.042 1.00 0.00 H new ATOM 1507 N LEU B 3 5.949 -1.159 11.976 1.00 0.00 N ATOM 1508 CA LEU B 3 5.421 -1.280 10.589 1.00 0.00 C ATOM 1509 C LEU B 3 4.674 -2.611 10.446 1.00 0.00 C ATOM 1510 O LEU B 3 3.536 -2.654 10.022 1.00 0.00 O ATOM 1511 CB LEU B 3 6.598 -1.219 9.597 1.00 0.00 C ATOM 1512 CG LEU B 3 6.131 -0.698 8.228 1.00 0.00 C ATOM 1513 CD1 LEU B 3 7.354 -0.425 7.348 1.00 0.00 C ATOM 1514 CD2 LEU B 3 5.237 -1.742 7.548 1.00 0.00 C ATOM 0 H LEU B 3 6.958 -1.029 12.048 1.00 0.00 H new ATOM 0 HA LEU B 3 4.731 -0.463 10.377 1.00 0.00 H new ATOM 0 HB2 LEU B 3 7.379 -0.569 9.992 1.00 0.00 H new ATOM 0 HB3 LEU B 3 7.036 -2.211 9.484 1.00 0.00 H new ATOM 0 HG LEU B 3 5.563 0.222 8.368 1.00 0.00 H new ATOM 0 HD11 LEU B 3 7.028 -0.055 6.376 1.00 0.00 H new ATOM 0 HD12 LEU B 3 7.987 0.322 7.827 1.00 0.00 H new ATOM 0 HD13 LEU B 3 7.919 -1.347 7.214 1.00 0.00 H new ATOM 0 HD21 LEU B 3 4.910 -1.365 6.579 1.00 0.00 H new ATOM 0 HD22 LEU B 3 5.798 -2.666 7.408 1.00 0.00 H new ATOM 0 HD23 LEU B 3 4.366 -1.938 8.173 1.00 0.00 H new ATOM 1526 N GLU B 4 5.306 -3.699 10.793 1.00 0.00 N ATOM 1527 CA GLU B 4 4.634 -5.023 10.670 1.00 0.00 C ATOM 1528 C GLU B 4 3.284 -4.993 11.393 1.00 0.00 C ATOM 1529 O GLU B 4 2.274 -5.411 10.866 1.00 0.00 O ATOM 1530 CB GLU B 4 5.523 -6.102 11.287 1.00 0.00 C ATOM 1531 CG GLU B 4 6.832 -6.193 10.500 1.00 0.00 C ATOM 1532 CD GLU B 4 7.856 -6.995 11.304 1.00 0.00 C ATOM 1533 OE1 GLU B 4 7.632 -8.178 11.500 1.00 0.00 O ATOM 1534 OE2 GLU B 4 8.847 -6.411 11.712 1.00 0.00 O ATOM 0 H GLU B 4 6.259 -3.728 11.156 1.00 0.00 H new ATOM 0 HA GLU B 4 4.467 -5.245 9.616 1.00 0.00 H new ATOM 0 HB2 GLU B 4 5.729 -5.866 12.331 1.00 0.00 H new ATOM 0 HB3 GLU B 4 5.010 -7.064 11.273 1.00 0.00 H new ATOM 0 HG2 GLU B 4 6.657 -6.670 9.536 1.00 0.00 H new ATOM 0 HG3 GLU B 4 7.216 -5.194 10.296 1.00 0.00 H new ATOM 1541 N LYS B 5 3.266 -4.485 12.596 1.00 0.00 N ATOM 1542 CA LYS B 5 1.990 -4.406 13.364 1.00 0.00 C ATOM 1543 C LYS B 5 0.905 -3.799 12.480 1.00 0.00 C ATOM 1544 O LYS B 5 -0.219 -4.258 12.435 1.00 0.00 O ATOM 1545 CB LYS B 5 2.192 -3.495 14.580 1.00 0.00 C ATOM 1546 CG LYS B 5 3.296 -4.061 15.489 1.00 0.00 C ATOM 1547 CD LYS B 5 2.728 -5.166 16.393 1.00 0.00 C ATOM 1548 CE LYS B 5 3.778 -5.565 17.431 1.00 0.00 C ATOM 1549 NZ LYS B 5 3.302 -6.763 18.179 1.00 0.00 N ATOM 0 H LYS B 5 4.085 -4.119 13.082 1.00 0.00 H new ATOM 0 HA LYS B 5 1.696 -5.406 13.684 1.00 0.00 H new ATOM 0 HB2 LYS B 5 2.461 -2.491 14.251 1.00 0.00 H new ATOM 0 HB3 LYS B 5 1.260 -3.409 15.138 1.00 0.00 H new ATOM 0 HG2 LYS B 5 4.108 -4.461 14.881 1.00 0.00 H new ATOM 0 HG3 LYS B 5 3.718 -3.263 16.100 1.00 0.00 H new ATOM 0 HD2 LYS B 5 1.824 -4.815 16.891 1.00 0.00 H new ATOM 0 HD3 LYS B 5 2.446 -6.032 15.794 1.00 0.00 H new ATOM 0 HE2 LYS B 5 4.727 -5.782 16.940 1.00 0.00 H new ATOM 0 HE3 LYS B 5 3.957 -4.739 18.120 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 4.014 -7.037 18.886 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 2.406 -6.540 18.658 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 3.153 -7.550 17.516 1.00 0.00 H new ATOM 1563 N ALA B 6 1.250 -2.750 11.786 1.00 0.00 N ATOM 1564 CA ALA B 6 0.277 -2.060 10.897 1.00 0.00 C ATOM 1565 C ALA B 6 0.091 -2.838 9.589 1.00 0.00 C ATOM 1566 O ALA B 6 -0.966 -2.801 8.990 1.00 0.00 O ATOM 1567 CB ALA B 6 0.801 -0.649 10.602 1.00 0.00 C ATOM 0 H ALA B 6 2.182 -2.336 11.799 1.00 0.00 H new ATOM 0 HA ALA B 6 -0.692 -2.003 11.393 1.00 0.00 H new ATOM 0 HB1 ALA B 6 0.099 -0.129 9.951 1.00 0.00 H new ATOM 0 HB2 ALA B 6 0.906 -0.097 11.536 1.00 0.00 H new ATOM 0 HB3 ALA B 6 1.771 -0.717 10.109 1.00 0.00 H new ATOM 1573 N MET B 7 1.084 -3.546 9.138 1.00 0.00 N ATOM 1574 CA MET B 7 0.908 -4.312 7.874 1.00 0.00 C ATOM 1575 C MET B 7 -0.193 -5.361 8.087 1.00 0.00 C ATOM 1576 O MET B 7 -1.089 -5.511 7.281 1.00 0.00 O ATOM 1577 CB MET B 7 2.239 -4.996 7.499 1.00 0.00 C ATOM 1578 CG MET B 7 2.367 -5.113 5.974 1.00 0.00 C ATOM 1579 SD MET B 7 0.799 -5.684 5.270 1.00 0.00 S ATOM 1580 CE MET B 7 0.936 -4.826 3.681 1.00 0.00 C ATOM 0 H MET B 7 1.999 -3.629 9.581 1.00 0.00 H new ATOM 0 HA MET B 7 0.620 -3.645 7.062 1.00 0.00 H new ATOM 0 HB2 MET B 7 3.076 -4.422 7.898 1.00 0.00 H new ATOM 0 HB3 MET B 7 2.287 -5.986 7.952 1.00 0.00 H new ATOM 0 HG2 MET B 7 2.638 -4.147 5.547 1.00 0.00 H new ATOM 0 HG3 MET B 7 3.166 -5.809 5.719 1.00 0.00 H new ATOM 0 HE1 MET B 7 0.057 -5.042 3.074 1.00 0.00 H new ATOM 0 HE2 MET B 7 1.004 -3.752 3.852 1.00 0.00 H new ATOM 0 HE3 MET B 7 1.830 -5.167 3.159 1.00 0.00 H new ATOM 1590 N VAL B 8 -0.125 -6.080 9.175 1.00 0.00 N ATOM 1591 CA VAL B 8 -1.151 -7.125 9.471 1.00 0.00 C ATOM 1592 C VAL B 8 -2.523 -6.486 9.715 1.00 0.00 C ATOM 1593 O VAL B 8 -3.543 -7.035 9.347 1.00 0.00 O ATOM 1594 CB VAL B 8 -0.727 -7.893 10.721 1.00 0.00 C ATOM 1595 CG1 VAL B 8 -1.643 -9.104 10.904 1.00 0.00 C ATOM 1596 CG2 VAL B 8 0.719 -8.369 10.554 1.00 0.00 C ATOM 0 H VAL B 8 0.606 -5.988 9.880 1.00 0.00 H new ATOM 0 HA VAL B 8 -1.227 -7.797 8.616 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.800 -7.245 11.594 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -1.344 -9.655 11.795 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -2.674 -8.767 11.015 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -1.565 -9.754 10.032 1.00 0.00 H new ATOM 0 HG21 VAL B 8 1.026 -8.918 11.444 1.00 0.00 H new ATOM 0 HG22 VAL B 8 0.789 -9.021 9.683 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.372 -7.507 10.416 1.00 0.00 H new ATOM 1606 N ALA B 9 -2.566 -5.337 10.331 1.00 0.00 N ATOM 1607 CA ALA B 9 -3.883 -4.682 10.590 1.00 0.00 C ATOM 1608 C ALA B 9 -4.625 -4.501 9.264 1.00 0.00 C ATOM 1609 O ALA B 9 -5.789 -4.826 9.138 1.00 0.00 O ATOM 1610 CB ALA B 9 -3.648 -3.308 11.222 1.00 0.00 C ATOM 0 H ALA B 9 -1.751 -4.824 10.666 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.474 -5.302 11.264 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -4.607 -2.826 11.413 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -3.109 -3.427 12.162 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -3.061 -2.691 10.542 1.00 0.00 H new ATOM 1616 N LEU B 10 -3.958 -3.971 8.283 1.00 0.00 N ATOM 1617 CA LEU B 10 -4.607 -3.746 6.963 1.00 0.00 C ATOM 1618 C LEU B 10 -5.245 -5.034 6.462 1.00 0.00 C ATOM 1619 O LEU B 10 -6.417 -5.090 6.146 1.00 0.00 O ATOM 1620 CB LEU B 10 -3.529 -3.338 5.956 1.00 0.00 C ATOM 1621 CG LEU B 10 -2.909 -1.989 6.352 1.00 0.00 C ATOM 1622 CD1 LEU B 10 -1.740 -1.676 5.409 1.00 0.00 C ATOM 1623 CD2 LEU B 10 -3.964 -0.864 6.262 1.00 0.00 C ATOM 0 H LEU B 10 -2.982 -3.681 8.338 1.00 0.00 H new ATOM 0 HA LEU B 10 -5.369 -2.974 7.069 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.754 -4.103 5.913 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -3.962 -3.267 4.958 1.00 0.00 H new ATOM 0 HG LEU B 10 -2.551 -2.049 7.380 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -1.296 -0.720 5.685 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -0.988 -2.461 5.488 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -2.104 -1.624 4.383 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.509 0.085 6.546 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -4.337 -0.796 5.240 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -4.791 -1.086 6.937 1.00 0.00 H new ATOM 1635 N ILE B 11 -4.457 -6.066 6.369 1.00 0.00 N ATOM 1636 CA ILE B 11 -4.972 -7.365 5.866 1.00 0.00 C ATOM 1637 C ILE B 11 -6.181 -7.811 6.685 1.00 0.00 C ATOM 1638 O ILE B 11 -7.150 -8.308 6.146 1.00 0.00 O ATOM 1639 CB ILE B 11 -3.871 -8.425 5.981 1.00 0.00 C ATOM 1640 CG1 ILE B 11 -2.567 -7.898 5.368 1.00 0.00 C ATOM 1641 CG2 ILE B 11 -4.302 -9.693 5.246 1.00 0.00 C ATOM 1642 CD1 ILE B 11 -2.819 -7.355 3.957 1.00 0.00 C ATOM 0 H ILE B 11 -3.469 -6.064 6.623 1.00 0.00 H new ATOM 0 HA ILE B 11 -5.272 -7.246 4.825 1.00 0.00 H new ATOM 0 HB ILE B 11 -3.705 -8.651 7.034 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -2.154 -7.111 5.999 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.827 -8.697 5.330 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -3.518 -10.446 5.329 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -5.221 -10.076 5.689 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -4.475 -9.463 4.195 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -1.884 -6.985 3.537 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -3.211 -8.152 3.325 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -3.542 -6.541 4.004 1.00 0.00 H new ATOM 1654 N ASP B 12 -6.132 -7.680 7.984 1.00 0.00 N ATOM 1655 CA ASP B 12 -7.286 -8.150 8.799 1.00 0.00 C ATOM 1656 C ASP B 12 -8.510 -7.258 8.564 1.00 0.00 C ATOM 1657 O ASP B 12 -9.625 -7.740 8.534 1.00 0.00 O ATOM 1658 CB ASP B 12 -6.914 -8.161 10.284 1.00 0.00 C ATOM 1659 CG ASP B 12 -8.133 -8.568 11.113 1.00 0.00 C ATOM 1660 OD1 ASP B 12 -9.071 -9.090 10.535 1.00 0.00 O ATOM 1661 OD2 ASP B 12 -8.108 -8.350 12.314 1.00 0.00 O ATOM 0 H ASP B 12 -5.356 -7.275 8.508 1.00 0.00 H new ATOM 0 HA ASP B 12 -7.536 -9.165 8.492 1.00 0.00 H new ATOM 0 HB2 ASP B 12 -6.093 -8.857 10.459 1.00 0.00 H new ATOM 0 HB3 ASP B 12 -6.566 -7.174 10.590 1.00 0.00 H new ATOM 1666 N VAL B 13 -8.338 -5.969 8.393 1.00 0.00 N ATOM 1667 CA VAL B 13 -9.538 -5.113 8.162 1.00 0.00 C ATOM 1668 C VAL B 13 -10.082 -5.393 6.759 1.00 0.00 C ATOM 1669 O VAL B 13 -11.278 -5.413 6.545 1.00 0.00 O ATOM 1670 CB VAL B 13 -9.187 -3.632 8.320 1.00 0.00 C ATOM 1671 CG1 VAL B 13 -10.374 -2.773 7.878 1.00 0.00 C ATOM 1672 CG2 VAL B 13 -8.871 -3.341 9.789 1.00 0.00 C ATOM 0 H VAL B 13 -7.441 -5.484 8.403 1.00 0.00 H new ATOM 0 HA VAL B 13 -10.301 -5.351 8.903 1.00 0.00 H new ATOM 0 HB VAL B 13 -8.320 -3.397 7.703 1.00 0.00 H new ATOM 0 HG11 VAL B 13 -10.122 -1.719 7.991 1.00 0.00 H new ATOM 0 HG12 VAL B 13 -10.604 -2.981 6.833 1.00 0.00 H new ATOM 0 HG13 VAL B 13 -11.242 -3.007 8.494 1.00 0.00 H new ATOM 0 HG21 VAL B 13 -8.620 -2.287 9.905 1.00 0.00 H new ATOM 0 HG22 VAL B 13 -9.741 -3.577 10.402 1.00 0.00 H new ATOM 0 HG23 VAL B 13 -8.026 -3.952 10.107 1.00 0.00 H new ATOM 1682 N PHE B 14 -9.226 -5.638 5.808 1.00 0.00 N ATOM 1683 CA PHE B 14 -9.721 -5.946 4.439 1.00 0.00 C ATOM 1684 C PHE B 14 -10.643 -7.164 4.523 1.00 0.00 C ATOM 1685 O PHE B 14 -11.586 -7.300 3.769 1.00 0.00 O ATOM 1686 CB PHE B 14 -8.541 -6.259 3.516 1.00 0.00 C ATOM 1687 CG PHE B 14 -9.053 -6.583 2.131 1.00 0.00 C ATOM 1688 CD1 PHE B 14 -9.477 -7.882 1.826 1.00 0.00 C ATOM 1689 CD2 PHE B 14 -9.098 -5.584 1.150 1.00 0.00 C ATOM 1690 CE1 PHE B 14 -9.945 -8.183 0.541 1.00 0.00 C ATOM 1691 CE2 PHE B 14 -9.565 -5.886 -0.135 1.00 0.00 C ATOM 1692 CZ PHE B 14 -9.989 -7.185 -0.439 1.00 0.00 C ATOM 0 H PHE B 14 -8.212 -5.638 5.918 1.00 0.00 H new ATOM 0 HA PHE B 14 -10.262 -5.089 4.038 1.00 0.00 H new ATOM 0 HB2 PHE B 14 -7.863 -5.407 3.474 1.00 0.00 H new ATOM 0 HB3 PHE B 14 -7.971 -7.100 3.910 1.00 0.00 H new ATOM 0 HD1 PHE B 14 -9.443 -8.652 2.582 1.00 0.00 H new ATOM 0 HD2 PHE B 14 -8.773 -4.581 1.385 1.00 0.00 H new ATOM 0 HE1 PHE B 14 -10.272 -9.185 0.306 1.00 0.00 H new ATOM 0 HE2 PHE B 14 -9.598 -5.116 -0.892 1.00 0.00 H new ATOM 0 HZ PHE B 14 -10.350 -7.417 -1.430 1.00 0.00 H new ATOM 1702 N HIS B 15 -10.369 -8.053 5.443 1.00 0.00 N ATOM 1703 CA HIS B 15 -11.217 -9.269 5.592 1.00 0.00 C ATOM 1704 C HIS B 15 -12.501 -8.922 6.352 1.00 0.00 C ATOM 1705 O HIS B 15 -13.533 -9.532 6.159 1.00 0.00 O ATOM 1706 CB HIS B 15 -10.440 -10.334 6.371 1.00 0.00 C ATOM 1707 CG HIS B 15 -11.190 -11.636 6.328 1.00 0.00 C ATOM 1708 ND1 HIS B 15 -11.508 -12.265 5.135 1.00 0.00 N ATOM 1709 CD2 HIS B 15 -11.689 -12.443 7.322 1.00 0.00 C ATOM 1710 CE1 HIS B 15 -12.169 -13.398 5.437 1.00 0.00 C ATOM 1711 NE2 HIS B 15 -12.307 -13.554 6.756 1.00 0.00 N ATOM 0 H HIS B 15 -9.591 -7.987 6.099 1.00 0.00 H new ATOM 0 HA HIS B 15 -11.477 -9.648 4.604 1.00 0.00 H new ATOM 0 HB2 HIS B 15 -9.446 -10.461 5.942 1.00 0.00 H new ATOM 0 HB3 HIS B 15 -10.303 -10.016 7.404 1.00 0.00 H new ATOM 0 HD2 HIS B 15 -11.613 -12.245 8.381 1.00 0.00 H new ATOM 0 HE1 HIS B 15 -12.542 -14.096 4.702 1.00 0.00 H new ATOM 0 HE2 HIS B 15 -12.767 -14.323 7.244 1.00 0.00 H new ATOM 1719 N GLN B 16 -12.433 -7.956 7.231 1.00 0.00 N ATOM 1720 CA GLN B 16 -13.637 -7.576 8.028 1.00 0.00 C ATOM 1721 C GLN B 16 -14.803 -7.253 7.095 1.00 0.00 C ATOM 1722 O GLN B 16 -15.917 -7.685 7.312 1.00 0.00 O ATOM 1723 CB GLN B 16 -13.310 -6.352 8.892 1.00 0.00 C ATOM 1724 CG GLN B 16 -14.472 -6.061 9.850 1.00 0.00 C ATOM 1725 CD GLN B 16 -15.601 -5.358 9.094 1.00 0.00 C ATOM 1726 OE1 GLN B 16 -15.365 -4.411 8.371 1.00 0.00 O ATOM 1727 NE2 GLN B 16 -16.827 -5.784 9.230 1.00 0.00 N ATOM 0 H GLN B 16 -11.593 -7.413 7.432 1.00 0.00 H new ATOM 0 HA GLN B 16 -13.920 -8.410 8.670 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -12.396 -6.530 9.459 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -13.127 -5.486 8.256 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -14.837 -6.991 10.286 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -14.129 -5.435 10.674 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -17.026 -6.579 9.837 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -17.586 -5.322 8.729 1.00 0.00 H new ATOM 1736 N TYR B 17 -14.565 -6.495 6.059 1.00 0.00 N ATOM 1737 CA TYR B 17 -15.670 -6.148 5.124 1.00 0.00 C ATOM 1738 C TYR B 17 -15.995 -7.360 4.253 1.00 0.00 C ATOM 1739 O TYR B 17 -17.143 -7.659 3.990 1.00 0.00 O ATOM 1740 CB TYR B 17 -15.233 -4.979 4.234 1.00 0.00 C ATOM 1741 CG TYR B 17 -15.282 -3.691 5.027 1.00 0.00 C ATOM 1742 CD1 TYR B 17 -14.368 -3.476 6.067 1.00 0.00 C ATOM 1743 CD2 TYR B 17 -16.238 -2.712 4.723 1.00 0.00 C ATOM 1744 CE1 TYR B 17 -14.411 -2.284 6.802 1.00 0.00 C ATOM 1745 CE2 TYR B 17 -16.279 -1.521 5.458 1.00 0.00 C ATOM 1746 CZ TYR B 17 -15.366 -1.307 6.497 1.00 0.00 C ATOM 1747 OH TYR B 17 -15.408 -0.133 7.220 1.00 0.00 O ATOM 0 H TYR B 17 -13.654 -6.102 5.821 1.00 0.00 H new ATOM 0 HA TYR B 17 -16.555 -5.861 5.692 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -14.223 -5.150 3.861 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -15.886 -4.907 3.364 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -13.630 -4.229 6.302 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -16.943 -2.876 3.922 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -13.707 -2.119 7.604 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -17.016 -0.767 5.223 1.00 0.00 H new ATOM 0 HH TYR B 17 -16.129 0.436 6.878 1.00 0.00 H new ATOM 1757 N SER B 18 -14.990 -8.061 3.800 1.00 0.00 N ATOM 1758 CA SER B 18 -15.228 -9.258 2.941 1.00 0.00 C ATOM 1759 C SER B 18 -15.181 -10.524 3.802 1.00 0.00 C ATOM 1760 O SER B 18 -14.409 -11.426 3.541 1.00 0.00 O ATOM 1761 CB SER B 18 -14.137 -9.332 1.870 1.00 0.00 C ATOM 1762 OG SER B 18 -12.971 -9.929 2.423 1.00 0.00 O ATOM 0 H SER B 18 -14.009 -7.855 3.989 1.00 0.00 H new ATOM 0 HA SER B 18 -16.206 -9.179 2.467 1.00 0.00 H new ATOM 0 HB2 SER B 18 -14.488 -9.914 1.018 1.00 0.00 H new ATOM 0 HB3 SER B 18 -13.907 -8.333 1.500 1.00 0.00 H new ATOM 0 HG SER B 18 -13.137 -10.881 2.588 1.00 0.00 H new ATOM 1768 N GLY B 19 -16.013 -10.614 4.817 1.00 0.00 N ATOM 1769 CA GLY B 19 -16.039 -11.834 5.692 1.00 0.00 C ATOM 1770 C GLY B 19 -17.429 -12.462 5.583 1.00 0.00 C ATOM 1771 O GLY B 19 -17.652 -13.585 5.990 1.00 0.00 O ATOM 0 H GLY B 19 -16.680 -9.888 5.078 1.00 0.00 H new ATOM 0 HA2 GLY B 19 -15.274 -12.544 5.379 1.00 0.00 H new ATOM 0 HA3 GLY B 19 -15.821 -11.566 6.726 1.00 0.00 H new ATOM 1775 N ARG B 20 -18.352 -11.755 4.991 1.00 0.00 N ATOM 1776 CA ARG B 20 -19.723 -12.304 4.794 1.00 0.00 C ATOM 1777 C ARG B 20 -19.631 -13.555 3.925 1.00 0.00 C ATOM 1778 O ARG B 20 -20.427 -14.462 4.070 1.00 0.00 O ATOM 1779 CB ARG B 20 -20.601 -11.262 4.098 1.00 0.00 C ATOM 1780 CG ARG B 20 -20.900 -10.115 5.066 1.00 0.00 C ATOM 1781 CD ARG B 20 -21.760 -9.065 4.361 1.00 0.00 C ATOM 1782 NE ARG B 20 -23.051 -9.681 3.942 1.00 0.00 N ATOM 1783 CZ ARG B 20 -23.977 -8.946 3.387 1.00 0.00 C ATOM 1784 NH1 ARG B 20 -24.866 -8.346 4.130 1.00 0.00 N ATOM 1785 NH2 ARG B 20 -24.014 -8.813 2.089 1.00 0.00 N ATOM 0 H ARG B 20 -18.213 -10.811 4.632 1.00 0.00 H new ATOM 0 HA ARG B 20 -20.163 -12.553 5.760 1.00 0.00 H new ATOM 0 HB2 ARG B 20 -20.096 -10.880 3.211 1.00 0.00 H new ATOM 0 HB3 ARG B 20 -21.531 -11.721 3.763 1.00 0.00 H new ATOM 0 HG2 ARG B 20 -21.419 -10.494 5.947 1.00 0.00 H new ATOM 0 HG3 ARG B 20 -19.970 -9.665 5.413 1.00 0.00 H new ATOM 0 HD2 ARG B 20 -21.946 -8.224 5.029 1.00 0.00 H new ATOM 0 HD3 ARG B 20 -21.233 -8.672 3.492 1.00 0.00 H new ATOM 0 HE ARG B 20 -23.211 -10.678 4.089 1.00 0.00 H new ATOM 0 HH11 ARG B 20 -24.838 -8.451 5.144 1.00 0.00 H new ATOM 0 HH12 ARG B 20 -25.589 -7.772 3.697 1.00 0.00 H new ATOM 0 HH21 ARG B 20 -23.320 -9.283 1.508 1.00 0.00 H new ATOM 0 HH22 ARG B 20 -24.737 -8.239 1.656 1.00 0.00 H new ATOM 1799 N GLU B 21 -18.669 -13.649 3.045 1.00 0.00 N ATOM 1800 CA GLU B 21 -18.561 -14.891 2.217 1.00 0.00 C ATOM 1801 C GLU B 21 -17.093 -15.178 1.894 1.00 0.00 C ATOM 1802 O GLU B 21 -16.636 -16.298 2.003 1.00 0.00 O ATOM 1803 CB GLU B 21 -19.359 -14.717 0.917 1.00 0.00 C ATOM 1804 CG GLU B 21 -19.120 -13.317 0.343 1.00 0.00 C ATOM 1805 CD GLU B 21 -19.879 -13.170 -0.977 1.00 0.00 C ATOM 1806 OE1 GLU B 21 -20.967 -13.712 -1.076 1.00 0.00 O ATOM 1807 OE2 GLU B 21 -19.357 -12.517 -1.866 1.00 0.00 O ATOM 0 H GLU B 21 -17.964 -12.935 2.864 1.00 0.00 H new ATOM 0 HA GLU B 21 -18.970 -15.731 2.778 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -19.059 -15.473 0.192 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -20.422 -14.864 1.110 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -19.453 -12.560 1.053 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -18.054 -13.156 0.182 1.00 0.00 H new ATOM 1814 N GLY B 22 -16.350 -14.187 1.489 1.00 0.00 N ATOM 1815 CA GLY B 22 -14.918 -14.425 1.154 1.00 0.00 C ATOM 1816 C GLY B 22 -14.816 -15.595 0.170 1.00 0.00 C ATOM 1817 O GLY B 22 -13.737 -16.056 -0.144 1.00 0.00 O ATOM 0 H GLY B 22 -16.670 -13.225 1.376 1.00 0.00 H new ATOM 0 HA2 GLY B 22 -14.481 -13.528 0.716 1.00 0.00 H new ATOM 0 HA3 GLY B 22 -14.353 -14.646 2.059 1.00 0.00 H new ATOM 1821 N ASP B 23 -15.926 -16.081 -0.322 1.00 0.00 N ATOM 1822 CA ASP B 23 -15.872 -17.218 -1.286 1.00 0.00 C ATOM 1823 C ASP B 23 -14.852 -16.878 -2.371 1.00 0.00 C ATOM 1824 O ASP B 23 -13.842 -17.537 -2.519 1.00 0.00 O ATOM 1825 CB ASP B 23 -17.251 -17.422 -1.919 1.00 0.00 C ATOM 1826 CG ASP B 23 -17.202 -18.607 -2.887 1.00 0.00 C ATOM 1827 OD1 ASP B 23 -16.108 -19.013 -3.241 1.00 0.00 O ATOM 1828 OD2 ASP B 23 -18.261 -19.087 -3.258 1.00 0.00 O ATOM 0 H ASP B 23 -16.862 -15.742 -0.099 1.00 0.00 H new ATOM 0 HA ASP B 23 -15.582 -18.135 -0.772 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -17.995 -17.604 -1.143 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -17.556 -16.519 -2.448 1.00 0.00 H new ATOM 1833 N LYS B 24 -15.091 -15.828 -3.110 1.00 0.00 N ATOM 1834 CA LYS B 24 -14.118 -15.416 -4.159 1.00 0.00 C ATOM 1835 C LYS B 24 -13.109 -14.461 -3.517 1.00 0.00 C ATOM 1836 O LYS B 24 -13.183 -14.167 -2.341 1.00 0.00 O ATOM 1837 CB LYS B 24 -14.857 -14.706 -5.295 1.00 0.00 C ATOM 1838 CG LYS B 24 -15.613 -15.742 -6.131 1.00 0.00 C ATOM 1839 CD LYS B 24 -16.369 -15.038 -7.261 1.00 0.00 C ATOM 1840 CE LYS B 24 -17.400 -15.996 -7.865 1.00 0.00 C ATOM 1841 NZ LYS B 24 -17.817 -15.493 -9.203 1.00 0.00 N ATOM 0 H LYS B 24 -15.919 -15.238 -3.031 1.00 0.00 H new ATOM 0 HA LYS B 24 -13.606 -16.287 -4.568 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -15.553 -13.972 -4.889 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -14.149 -14.163 -5.921 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -14.915 -16.469 -6.545 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -16.311 -16.293 -5.501 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -16.866 -14.146 -6.879 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -15.670 -14.708 -8.030 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -16.975 -16.995 -7.956 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -18.266 -16.077 -7.208 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -18.517 -16.142 -9.615 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -18.238 -14.548 -9.103 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -16.987 -15.438 -9.827 1.00 0.00 H new ATOM 1855 N HIS B 25 -12.182 -13.960 -4.290 1.00 0.00 N ATOM 1856 CA HIS B 25 -11.166 -12.998 -3.759 1.00 0.00 C ATOM 1857 C HIS B 25 -11.150 -11.785 -4.689 1.00 0.00 C ATOM 1858 O HIS B 25 -10.110 -11.338 -5.130 1.00 0.00 O ATOM 1859 CB HIS B 25 -9.788 -13.662 -3.751 1.00 0.00 C ATOM 1860 CG HIS B 25 -8.755 -12.671 -3.292 1.00 0.00 C ATOM 1861 ND1 HIS B 25 -9.098 -11.445 -2.743 1.00 0.00 N ATOM 1862 CD2 HIS B 25 -7.383 -12.711 -3.294 1.00 0.00 C ATOM 1863 CE1 HIS B 25 -7.955 -10.804 -2.440 1.00 0.00 C ATOM 1864 NE2 HIS B 25 -6.880 -11.531 -2.756 1.00 0.00 N ATOM 0 H HIS B 25 -12.083 -14.179 -5.281 1.00 0.00 H new ATOM 0 HA HIS B 25 -11.413 -12.697 -2.741 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -9.794 -14.529 -3.090 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -9.541 -14.024 -4.749 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -6.785 -13.533 -3.658 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -7.912 -9.821 -1.995 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -5.901 -11.276 -2.630 1.00 0.00 H new ATOM 1872 N LYS B 26 -12.311 -11.258 -4.989 1.00 0.00 N ATOM 1873 CA LYS B 26 -12.409 -10.073 -5.893 1.00 0.00 C ATOM 1874 C LYS B 26 -13.296 -9.002 -5.249 1.00 0.00 C ATOM 1875 O LYS B 26 -14.250 -9.309 -4.562 1.00 0.00 O ATOM 1876 CB LYS B 26 -13.032 -10.501 -7.224 1.00 0.00 C ATOM 1877 CG LYS B 26 -12.202 -11.628 -7.855 1.00 0.00 C ATOM 1878 CD LYS B 26 -10.856 -11.084 -8.359 1.00 0.00 C ATOM 1879 CE LYS B 26 -10.259 -12.057 -9.380 1.00 0.00 C ATOM 1880 NZ LYS B 26 -10.095 -13.398 -8.750 1.00 0.00 N ATOM 0 H LYS B 26 -13.205 -11.604 -4.641 1.00 0.00 H new ATOM 0 HA LYS B 26 -11.411 -9.667 -6.062 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -14.056 -10.839 -7.064 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -13.080 -9.650 -7.903 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -12.031 -12.417 -7.122 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -12.753 -12.075 -8.682 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -10.996 -10.104 -8.814 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -10.169 -10.952 -7.523 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -10.909 -12.130 -10.252 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -9.295 -11.687 -9.730 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -9.482 -13.989 -9.347 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -9.663 -13.290 -7.810 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -11.026 -13.852 -8.653 1.00 0.00 H new ATOM 1894 N LEU B 27 -12.987 -7.749 -5.472 1.00 0.00 N ATOM 1895 CA LEU B 27 -13.803 -6.634 -4.886 1.00 0.00 C ATOM 1896 C LEU B 27 -14.261 -5.725 -6.033 1.00 0.00 C ATOM 1897 O LEU B 27 -13.531 -5.497 -6.977 1.00 0.00 O ATOM 1898 CB LEU B 27 -12.927 -5.846 -3.876 1.00 0.00 C ATOM 1899 CG LEU B 27 -13.700 -5.598 -2.567 1.00 0.00 C ATOM 1900 CD1 LEU B 27 -12.760 -5.009 -1.516 1.00 0.00 C ATOM 1901 CD2 LEU B 27 -14.849 -4.620 -2.828 1.00 0.00 C ATOM 0 H LEU B 27 -12.197 -7.445 -6.041 1.00 0.00 H new ATOM 0 HA LEU B 27 -14.676 -7.020 -4.360 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -12.014 -6.403 -3.666 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -12.626 -4.894 -4.313 1.00 0.00 H new ATOM 0 HG LEU B 27 -14.102 -6.544 -2.203 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -13.311 -4.835 -0.592 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -11.944 -5.706 -1.326 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -12.354 -4.065 -1.879 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -15.396 -4.445 -1.901 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -14.447 -3.676 -3.196 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -15.524 -5.042 -3.573 1.00 0.00 H new ATOM 1913 N LYS B 28 -15.466 -5.207 -5.967 1.00 0.00 N ATOM 1914 CA LYS B 28 -15.962 -4.319 -7.067 1.00 0.00 C ATOM 1915 C LYS B 28 -15.707 -2.852 -6.708 1.00 0.00 C ATOM 1916 O LYS B 28 -15.538 -2.503 -5.556 1.00 0.00 O ATOM 1917 CB LYS B 28 -17.462 -4.539 -7.277 1.00 0.00 C ATOM 1918 CG LYS B 28 -17.699 -5.898 -7.941 1.00 0.00 C ATOM 1919 CD LYS B 28 -19.201 -6.109 -8.153 1.00 0.00 C ATOM 1920 CE LYS B 28 -19.480 -7.587 -8.433 1.00 0.00 C ATOM 1921 NZ LYS B 28 -20.927 -7.768 -8.738 1.00 0.00 N ATOM 0 H LYS B 28 -16.124 -5.360 -5.203 1.00 0.00 H new ATOM 0 HA LYS B 28 -15.429 -4.564 -7.986 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -17.983 -4.496 -6.320 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -17.872 -3.744 -7.899 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -17.176 -5.944 -8.896 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -17.294 -6.695 -7.317 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -19.752 -5.786 -7.269 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -19.550 -5.499 -8.986 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -18.874 -7.930 -9.272 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -19.201 -8.191 -7.570 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -21.119 -8.772 -8.929 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -21.495 -7.455 -7.925 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -21.179 -7.203 -9.574 1.00 0.00 H new ATOM 1935 N LYS B 29 -15.682 -1.993 -7.688 1.00 0.00 N ATOM 1936 CA LYS B 29 -15.444 -0.544 -7.418 1.00 0.00 C ATOM 1937 C LYS B 29 -16.577 0.029 -6.555 1.00 0.00 C ATOM 1938 O LYS B 29 -16.359 0.865 -5.700 1.00 0.00 O ATOM 1939 CB LYS B 29 -15.398 0.214 -8.754 1.00 0.00 C ATOM 1940 CG LYS B 29 -16.499 -0.300 -9.699 1.00 0.00 C ATOM 1941 CD LYS B 29 -16.838 0.777 -10.742 1.00 0.00 C ATOM 1942 CE LYS B 29 -17.534 0.134 -11.945 1.00 0.00 C ATOM 1943 NZ LYS B 29 -18.513 -0.883 -11.469 1.00 0.00 N ATOM 0 H LYS B 29 -15.817 -2.232 -8.670 1.00 0.00 H new ATOM 0 HA LYS B 29 -14.499 -0.431 -6.886 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -15.529 1.282 -8.579 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -14.421 0.085 -9.219 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -16.166 -1.210 -10.198 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -17.390 -0.558 -9.127 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -17.484 1.535 -10.299 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -15.928 1.283 -11.064 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -18.043 0.897 -12.534 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -16.797 -0.333 -12.598 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -19.209 -1.072 -12.218 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -18.012 -1.763 -11.232 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -19.002 -0.525 -10.624 1.00 0.00 H new ATOM 1957 N SER B 30 -17.786 -0.395 -6.791 1.00 0.00 N ATOM 1958 CA SER B 30 -18.942 0.138 -6.014 1.00 0.00 C ATOM 1959 C SER B 30 -18.783 -0.141 -4.515 1.00 0.00 C ATOM 1960 O SER B 30 -19.041 0.712 -3.679 1.00 0.00 O ATOM 1961 CB SER B 30 -20.223 -0.536 -6.504 1.00 0.00 C ATOM 1962 OG SER B 30 -21.302 -0.165 -5.656 1.00 0.00 O ATOM 0 H SER B 30 -18.026 -1.094 -7.494 1.00 0.00 H new ATOM 0 HA SER B 30 -18.987 1.217 -6.164 1.00 0.00 H new ATOM 0 HB2 SER B 30 -20.434 -0.239 -7.531 1.00 0.00 H new ATOM 0 HB3 SER B 30 -20.101 -1.619 -6.504 1.00 0.00 H new ATOM 0 HG SER B 30 -22.126 -0.594 -5.968 1.00 0.00 H new ATOM 1968 N GLU B 31 -18.369 -1.329 -4.159 1.00 0.00 N ATOM 1969 CA GLU B 31 -18.227 -1.644 -2.708 1.00 0.00 C ATOM 1970 C GLU B 31 -16.936 -1.023 -2.186 1.00 0.00 C ATOM 1971 O GLU B 31 -16.852 -0.590 -1.054 1.00 0.00 O ATOM 1972 CB GLU B 31 -18.208 -3.159 -2.493 1.00 0.00 C ATOM 1973 CG GLU B 31 -19.375 -3.802 -3.246 1.00 0.00 C ATOM 1974 CD GLU B 31 -20.697 -3.299 -2.664 1.00 0.00 C ATOM 1975 OE1 GLU B 31 -20.744 -3.064 -1.467 1.00 0.00 O ATOM 1976 OE2 GLU B 31 -21.641 -3.158 -3.424 1.00 0.00 O ATOM 0 H GLU B 31 -18.126 -2.084 -4.800 1.00 0.00 H new ATOM 0 HA GLU B 31 -19.076 -1.231 -2.163 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -17.263 -3.574 -2.844 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -18.280 -3.386 -1.429 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -19.316 -3.558 -4.307 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -19.320 -4.888 -3.165 1.00 0.00 H new ATOM 1983 N LEU B 32 -15.930 -0.966 -3.016 1.00 0.00 N ATOM 1984 CA LEU B 32 -14.642 -0.360 -2.586 1.00 0.00 C ATOM 1985 C LEU B 32 -14.869 1.126 -2.313 1.00 0.00 C ATOM 1986 O LEU B 32 -14.376 1.662 -1.342 1.00 0.00 O ATOM 1987 CB LEU B 32 -13.591 -0.543 -3.686 1.00 0.00 C ATOM 1988 CG LEU B 32 -12.238 0.017 -3.224 1.00 0.00 C ATOM 1989 CD1 LEU B 32 -11.729 -0.769 -2.001 1.00 0.00 C ATOM 1990 CD2 LEU B 32 -11.232 -0.102 -4.376 1.00 0.00 C ATOM 0 H LEU B 32 -15.947 -1.314 -3.975 1.00 0.00 H new ATOM 0 HA LEU B 32 -14.282 -0.847 -1.680 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -13.491 -1.600 -3.931 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -13.912 -0.034 -4.595 1.00 0.00 H new ATOM 0 HG LEU B 32 -12.353 1.063 -2.941 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -10.769 -0.364 -1.682 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -12.449 -0.681 -1.187 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -11.609 -1.819 -2.268 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -10.267 0.293 -4.059 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -11.121 -1.150 -4.655 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -11.592 0.466 -5.234 1.00 0.00 H new ATOM 2002 N LYS B 33 -15.593 1.811 -3.154 1.00 0.00 N ATOM 2003 CA LYS B 33 -15.811 3.262 -2.910 1.00 0.00 C ATOM 2004 C LYS B 33 -16.309 3.449 -1.482 1.00 0.00 C ATOM 2005 O LYS B 33 -15.733 4.178 -0.699 1.00 0.00 O ATOM 2006 CB LYS B 33 -16.856 3.794 -3.894 1.00 0.00 C ATOM 2007 CG LYS B 33 -16.952 5.315 -3.772 1.00 0.00 C ATOM 2008 CD LYS B 33 -17.878 5.856 -4.864 1.00 0.00 C ATOM 2009 CE LYS B 33 -17.996 7.376 -4.728 1.00 0.00 C ATOM 2010 NZ LYS B 33 -16.681 8.006 -5.039 1.00 0.00 N ATOM 0 H LYS B 33 -16.038 1.433 -3.990 1.00 0.00 H new ATOM 0 HA LYS B 33 -14.878 3.808 -3.051 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -16.584 3.518 -4.913 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -17.826 3.341 -3.689 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -17.333 5.588 -2.788 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -15.962 5.761 -3.865 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -17.487 5.598 -5.848 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -18.863 5.396 -4.782 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -18.762 7.754 -5.405 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -18.307 7.638 -3.717 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -16.820 9.015 -5.247 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -16.046 7.905 -4.222 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -16.258 7.538 -5.866 1.00 0.00 H new ATOM 2024 N GLU B 34 -17.388 2.802 -1.141 1.00 0.00 N ATOM 2025 CA GLU B 34 -17.931 2.956 0.241 1.00 0.00 C ATOM 2026 C GLU B 34 -16.791 2.796 1.261 1.00 0.00 C ATOM 2027 O GLU B 34 -16.784 3.438 2.293 1.00 0.00 O ATOM 2028 CB GLU B 34 -19.007 1.897 0.491 1.00 0.00 C ATOM 2029 CG GLU B 34 -20.231 2.206 -0.375 1.00 0.00 C ATOM 2030 CD GLU B 34 -21.224 1.045 -0.295 1.00 0.00 C ATOM 2031 OE1 GLU B 34 -20.815 -0.033 0.103 1.00 0.00 O ATOM 2032 OE2 GLU B 34 -22.377 1.254 -0.637 1.00 0.00 O ATOM 0 H GLU B 34 -17.915 2.178 -1.752 1.00 0.00 H new ATOM 0 HA GLU B 34 -18.373 3.946 0.350 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -18.620 0.906 0.254 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -19.286 1.887 1.545 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -20.705 3.127 -0.036 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -19.926 2.366 -1.409 1.00 0.00 H new ATOM 2039 N LEU B 35 -15.824 1.959 0.985 1.00 0.00 N ATOM 2040 CA LEU B 35 -14.691 1.784 1.947 1.00 0.00 C ATOM 2041 C LEU B 35 -13.857 3.072 1.994 1.00 0.00 C ATOM 2042 O LEU B 35 -13.537 3.567 3.057 1.00 0.00 O ATOM 2043 CB LEU B 35 -13.814 0.598 1.507 1.00 0.00 C ATOM 2044 CG LEU B 35 -12.741 0.272 2.587 1.00 0.00 C ATOM 2045 CD1 LEU B 35 -12.495 -1.241 2.644 1.00 0.00 C ATOM 2046 CD2 LEU B 35 -11.410 0.970 2.256 1.00 0.00 C ATOM 0 H LEU B 35 -15.768 1.391 0.140 1.00 0.00 H new ATOM 0 HA LEU B 35 -15.085 1.579 2.942 1.00 0.00 H new ATOM 0 HB2 LEU B 35 -14.439 -0.278 1.334 1.00 0.00 H new ATOM 0 HB3 LEU B 35 -13.325 0.833 0.562 1.00 0.00 H new ATOM 0 HG LEU B 35 -13.112 0.629 3.548 1.00 0.00 H new ATOM 0 HD11 LEU B 35 -11.743 -1.459 3.402 1.00 0.00 H new ATOM 0 HD12 LEU B 35 -13.424 -1.751 2.897 1.00 0.00 H new ATOM 0 HD13 LEU B 35 -12.143 -1.589 1.673 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -10.673 0.730 3.022 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -11.050 0.626 1.286 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -11.563 2.049 2.225 1.00 0.00 H new ATOM 2058 N ILE B 36 -13.519 3.633 0.864 1.00 0.00 N ATOM 2059 CA ILE B 36 -12.728 4.901 0.858 1.00 0.00 C ATOM 2060 C ILE B 36 -13.451 5.966 1.688 1.00 0.00 C ATOM 2061 O ILE B 36 -12.834 6.807 2.311 1.00 0.00 O ATOM 2062 CB ILE B 36 -12.611 5.397 -0.589 1.00 0.00 C ATOM 2063 CG1 ILE B 36 -12.095 4.252 -1.471 1.00 0.00 C ATOM 2064 CG2 ILE B 36 -11.635 6.580 -0.657 1.00 0.00 C ATOM 2065 CD1 ILE B 36 -11.746 4.779 -2.866 1.00 0.00 C ATOM 0 H ILE B 36 -13.757 3.268 -0.058 1.00 0.00 H new ATOM 0 HA ILE B 36 -11.740 4.719 1.282 1.00 0.00 H new ATOM 0 HB ILE B 36 -13.589 5.723 -0.943 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -11.215 3.799 -1.014 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -12.852 3.472 -1.547 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -11.556 6.928 -1.687 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -12.001 7.391 -0.027 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -10.653 6.263 -0.305 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -11.381 3.959 -3.484 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -12.635 5.211 -3.325 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -10.973 5.543 -2.783 1.00 0.00 H new ATOM 2077 N ASN B 37 -14.753 5.966 1.655 1.00 0.00 N ATOM 2078 CA ASN B 37 -15.527 7.007 2.389 1.00 0.00 C ATOM 2079 C ASN B 37 -15.400 6.858 3.912 1.00 0.00 C ATOM 2080 O ASN B 37 -15.560 7.821 4.635 1.00 0.00 O ATOM 2081 CB ASN B 37 -17.004 6.891 2.001 1.00 0.00 C ATOM 2082 CG ASN B 37 -17.195 7.386 0.566 1.00 0.00 C ATOM 2083 OD1 ASN B 37 -17.857 6.747 -0.227 1.00 0.00 O ATOM 2084 ND2 ASN B 37 -16.638 8.508 0.198 1.00 0.00 N ATOM 0 H ASN B 37 -15.319 5.286 1.148 1.00 0.00 H new ATOM 0 HA ASN B 37 -15.122 7.981 2.114 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -17.333 5.855 2.087 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -17.618 7.478 2.684 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -16.759 8.848 -0.756 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -16.082 9.044 0.864 1.00 0.00 H new ATOM 2091 N ASN B 38 -15.153 5.668 4.414 1.00 0.00 N ATOM 2092 CA ASN B 38 -15.065 5.481 5.907 1.00 0.00 C ATOM 2093 C ASN B 38 -13.619 5.246 6.364 1.00 0.00 C ATOM 2094 O ASN B 38 -13.313 5.398 7.531 1.00 0.00 O ATOM 2095 CB ASN B 38 -15.918 4.276 6.308 1.00 0.00 C ATOM 2096 CG ASN B 38 -16.106 4.263 7.826 1.00 0.00 C ATOM 2097 OD1 ASN B 38 -15.365 3.613 8.536 1.00 0.00 O ATOM 2098 ND2 ASN B 38 -17.075 4.958 8.358 1.00 0.00 N ATOM 0 H ASN B 38 -15.009 4.822 3.862 1.00 0.00 H new ATOM 0 HA ASN B 38 -15.428 6.390 6.386 1.00 0.00 H new ATOM 0 HB2 ASN B 38 -16.887 4.323 5.812 1.00 0.00 H new ATOM 0 HB3 ASN B 38 -15.438 3.353 5.983 1.00 0.00 H new ATOM 0 HD21 ASN B 38 -17.209 4.955 9.369 1.00 0.00 H new ATOM 0 HD22 ASN B 38 -17.698 5.504 7.762 1.00 0.00 H new ATOM 2105 N GLU B 39 -12.729 4.863 5.482 1.00 0.00 N ATOM 2106 CA GLU B 39 -11.311 4.604 5.907 1.00 0.00 C ATOM 2107 C GLU B 39 -10.402 5.773 5.516 1.00 0.00 C ATOM 2108 O GLU B 39 -9.384 5.998 6.139 1.00 0.00 O ATOM 2109 CB GLU B 39 -10.806 3.335 5.221 1.00 0.00 C ATOM 2110 CG GLU B 39 -11.708 2.157 5.594 1.00 0.00 C ATOM 2111 CD GLU B 39 -11.594 1.877 7.094 1.00 0.00 C ATOM 2112 OE1 GLU B 39 -12.349 2.471 7.846 1.00 0.00 O ATOM 2113 OE2 GLU B 39 -10.755 1.074 7.465 1.00 0.00 O ATOM 0 H GLU B 39 -12.918 4.718 4.490 1.00 0.00 H new ATOM 0 HA GLU B 39 -11.289 4.488 6.991 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -10.798 3.472 4.140 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -9.779 3.130 5.523 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -12.742 2.381 5.333 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -11.421 1.272 5.026 1.00 0.00 H new ATOM 2120 N LEU B 40 -10.753 6.518 4.495 1.00 0.00 N ATOM 2121 CA LEU B 40 -9.899 7.677 4.065 1.00 0.00 C ATOM 2122 C LEU B 40 -10.652 8.986 4.329 1.00 0.00 C ATOM 2123 O LEU B 40 -10.391 10.003 3.717 1.00 0.00 O ATOM 2124 CB LEU B 40 -9.577 7.538 2.563 1.00 0.00 C ATOM 2125 CG LEU B 40 -8.275 6.738 2.370 1.00 0.00 C ATOM 2126 CD1 LEU B 40 -8.323 5.435 3.187 1.00 0.00 C ATOM 2127 CD2 LEU B 40 -8.093 6.408 0.881 1.00 0.00 C ATOM 0 H LEU B 40 -11.596 6.375 3.938 1.00 0.00 H new ATOM 0 HA LEU B 40 -8.967 7.685 4.630 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -10.399 7.037 2.052 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -9.476 8.525 2.112 1.00 0.00 H new ATOM 0 HG LEU B 40 -7.435 7.339 2.717 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -7.396 4.880 3.041 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -8.441 5.673 4.244 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -9.166 4.828 2.855 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -7.172 5.842 0.744 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -8.939 5.814 0.534 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -8.039 7.333 0.307 1.00 0.00 H new ATOM 2139 N SER B 41 -11.574 8.963 5.249 1.00 0.00 N ATOM 2140 CA SER B 41 -12.344 10.194 5.580 1.00 0.00 C ATOM 2141 C SER B 41 -11.452 11.169 6.353 1.00 0.00 C ATOM 2142 O SER B 41 -11.664 12.366 6.329 1.00 0.00 O ATOM 2143 CB SER B 41 -13.549 9.819 6.443 1.00 0.00 C ATOM 2144 OG SER B 41 -13.112 9.564 7.772 1.00 0.00 O ATOM 0 H SER B 41 -11.830 8.137 5.791 1.00 0.00 H new ATOM 0 HA SER B 41 -12.683 10.667 4.658 1.00 0.00 H new ATOM 0 HB2 SER B 41 -14.281 10.627 6.437 1.00 0.00 H new ATOM 0 HB3 SER B 41 -14.043 8.938 6.035 1.00 0.00 H new ATOM 0 HG SER B 41 -13.882 9.325 8.329 1.00 0.00 H new ATOM 2150 N HIS B 42 -10.458 10.674 7.040 1.00 0.00 N ATOM 2151 CA HIS B 42 -9.562 11.583 7.813 1.00 0.00 C ATOM 2152 C HIS B 42 -8.635 12.340 6.858 1.00 0.00 C ATOM 2153 O HIS B 42 -8.512 13.547 6.926 1.00 0.00 O ATOM 2154 CB HIS B 42 -8.720 10.759 8.790 1.00 0.00 C ATOM 2155 CG HIS B 42 -7.840 11.679 9.591 1.00 0.00 C ATOM 2156 ND1 HIS B 42 -6.457 11.597 9.555 1.00 0.00 N ATOM 2157 CD2 HIS B 42 -8.132 12.708 10.452 1.00 0.00 C ATOM 2158 CE1 HIS B 42 -5.973 12.552 10.372 1.00 0.00 C ATOM 2159 NE2 HIS B 42 -6.952 13.257 10.944 1.00 0.00 N ATOM 0 H HIS B 42 -10.228 9.682 7.100 1.00 0.00 H new ATOM 0 HA HIS B 42 -10.171 12.299 8.365 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -9.369 10.189 9.455 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -8.110 10.039 8.244 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -9.127 13.041 10.708 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -4.921 12.726 10.544 1.00 0.00 H new ATOM 0 HE2 HIS B 42 -6.856 14.032 11.601 1.00 0.00 H new ATOM 2167 N PHE B 43 -7.974 11.642 5.973 1.00 0.00 N ATOM 2168 CA PHE B 43 -7.050 12.326 5.024 1.00 0.00 C ATOM 2169 C PHE B 43 -7.850 13.259 4.113 1.00 0.00 C ATOM 2170 O PHE B 43 -7.333 14.226 3.590 1.00 0.00 O ATOM 2171 CB PHE B 43 -6.320 11.282 4.179 1.00 0.00 C ATOM 2172 CG PHE B 43 -5.426 10.451 5.072 1.00 0.00 C ATOM 2173 CD1 PHE B 43 -4.255 11.009 5.600 1.00 0.00 C ATOM 2174 CD2 PHE B 43 -5.767 9.126 5.375 1.00 0.00 C ATOM 2175 CE1 PHE B 43 -3.426 10.244 6.428 1.00 0.00 C ATOM 2176 CE2 PHE B 43 -4.937 8.361 6.204 1.00 0.00 C ATOM 2177 CZ PHE B 43 -3.767 8.920 6.730 1.00 0.00 C ATOM 0 H PHE B 43 -8.034 10.629 5.867 1.00 0.00 H new ATOM 0 HA PHE B 43 -6.320 12.910 5.585 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -7.040 10.642 3.669 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -5.727 11.772 3.407 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -3.992 12.030 5.368 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -6.670 8.695 4.969 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -2.523 10.675 6.834 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -5.200 7.340 6.437 1.00 0.00 H new ATOM 0 HZ PHE B 43 -3.127 8.330 7.369 1.00 0.00 H new ATOM 2187 N LEU B 44 -9.107 12.971 3.912 1.00 0.00 N ATOM 2188 CA LEU B 44 -9.942 13.832 3.027 1.00 0.00 C ATOM 2189 C LEU B 44 -9.726 15.305 3.406 1.00 0.00 C ATOM 2190 O LEU B 44 -10.051 16.204 2.657 1.00 0.00 O ATOM 2191 CB LEU B 44 -11.428 13.438 3.206 1.00 0.00 C ATOM 2192 CG LEU B 44 -12.197 13.514 1.870 1.00 0.00 C ATOM 2193 CD1 LEU B 44 -12.089 14.928 1.283 1.00 0.00 C ATOM 2194 CD2 LEU B 44 -11.648 12.477 0.864 1.00 0.00 C ATOM 0 H LEU B 44 -9.593 12.174 4.324 1.00 0.00 H new ATOM 0 HA LEU B 44 -9.659 13.694 1.983 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -11.492 12.426 3.607 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -11.896 14.100 3.935 1.00 0.00 H new ATOM 0 HG LEU B 44 -13.246 13.286 2.060 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -12.634 14.973 0.340 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -12.515 15.646 1.983 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -11.041 15.170 1.108 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -12.204 12.547 -0.071 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -10.593 12.677 0.675 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -11.759 11.475 1.278 1.00 0.00 H new ATOM 2206 N GLU B 45 -9.182 15.551 4.567 1.00 0.00 N ATOM 2207 CA GLU B 45 -8.948 16.957 5.004 1.00 0.00 C ATOM 2208 C GLU B 45 -7.640 17.483 4.407 1.00 0.00 C ATOM 2209 O GLU B 45 -7.559 18.612 3.965 1.00 0.00 O ATOM 2210 CB GLU B 45 -8.857 16.994 6.533 1.00 0.00 C ATOM 2211 CG GLU B 45 -8.854 18.446 7.019 1.00 0.00 C ATOM 2212 CD GLU B 45 -8.456 18.486 8.495 1.00 0.00 C ATOM 2213 OE1 GLU B 45 -8.581 17.464 9.150 1.00 0.00 O ATOM 2214 OE2 GLU B 45 -8.031 19.537 8.946 1.00 0.00 O ATOM 0 H GLU B 45 -8.889 14.837 5.233 1.00 0.00 H new ATOM 0 HA GLU B 45 -9.772 17.583 4.661 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -9.699 16.457 6.969 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -7.950 16.488 6.865 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -8.156 19.038 6.427 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -9.841 18.888 6.885 1.00 0.00 H new ATOM 2221 N GLU B 46 -6.612 16.681 4.405 1.00 0.00 N ATOM 2222 CA GLU B 46 -5.303 17.141 3.853 1.00 0.00 C ATOM 2223 C GLU B 46 -5.259 16.920 2.339 1.00 0.00 C ATOM 2224 O GLU B 46 -4.386 16.245 1.831 1.00 0.00 O ATOM 2225 CB GLU B 46 -4.172 16.349 4.513 1.00 0.00 C ATOM 2226 CG GLU B 46 -4.317 16.421 6.035 1.00 0.00 C ATOM 2227 CD GLU B 46 -3.019 15.953 6.696 1.00 0.00 C ATOM 2228 OE1 GLU B 46 -1.972 16.453 6.319 1.00 0.00 O ATOM 2229 OE2 GLU B 46 -3.095 15.103 7.568 1.00 0.00 O ATOM 0 H GLU B 46 -6.620 15.725 4.762 1.00 0.00 H new ATOM 0 HA GLU B 46 -5.184 18.205 4.059 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -4.201 15.310 4.183 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -3.206 16.753 4.210 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -4.545 17.442 6.341 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -5.149 15.797 6.361 1.00 0.00 H new ATOM 2236 N ILE B 47 -6.186 17.499 1.614 1.00 0.00 N ATOM 2237 CA ILE B 47 -6.208 17.345 0.122 1.00 0.00 C ATOM 2238 C ILE B 47 -6.016 18.720 -0.524 1.00 0.00 C ATOM 2239 O ILE B 47 -6.920 19.530 -0.555 1.00 0.00 O ATOM 2240 CB ILE B 47 -7.561 16.779 -0.316 1.00 0.00 C ATOM 2241 CG1 ILE B 47 -7.858 15.475 0.440 1.00 0.00 C ATOM 2242 CG2 ILE B 47 -7.538 16.510 -1.822 1.00 0.00 C ATOM 2243 CD1 ILE B 47 -6.700 14.481 0.283 1.00 0.00 C ATOM 0 H ILE B 47 -6.935 18.077 1.994 1.00 0.00 H new ATOM 0 HA ILE B 47 -5.410 16.669 -0.185 1.00 0.00 H new ATOM 0 HB ILE B 47 -8.342 17.504 -0.088 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -8.019 15.690 1.496 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -8.779 15.031 0.061 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -8.501 16.107 -2.134 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -7.344 17.441 -2.355 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -6.752 15.790 -2.051 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -6.931 13.565 0.826 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -6.558 14.251 -0.773 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -5.787 14.920 0.684 1.00 0.00 H new ATOM 2255 N LYS B 48 -4.845 18.992 -1.040 1.00 0.00 N ATOM 2256 CA LYS B 48 -4.595 20.318 -1.684 1.00 0.00 C ATOM 2257 C LYS B 48 -4.827 20.204 -3.193 1.00 0.00 C ATOM 2258 O LYS B 48 -5.452 21.051 -3.799 1.00 0.00 O ATOM 2259 CB LYS B 48 -3.149 20.751 -1.420 1.00 0.00 C ATOM 2260 CG LYS B 48 -2.811 20.570 0.065 1.00 0.00 C ATOM 2261 CD LYS B 48 -3.702 21.481 0.915 1.00 0.00 C ATOM 2262 CE LYS B 48 -3.114 21.603 2.323 1.00 0.00 C ATOM 2263 NZ LYS B 48 -2.850 20.242 2.869 1.00 0.00 N ATOM 0 H LYS B 48 -4.050 18.353 -1.044 1.00 0.00 H new ATOM 0 HA LYS B 48 -5.277 21.059 -1.266 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -2.466 20.161 -2.032 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -3.014 21.794 -1.708 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -2.956 19.530 0.356 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -1.761 20.807 0.240 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -3.777 22.466 0.454 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -4.712 21.075 0.965 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -2.190 22.181 2.294 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -3.806 22.140 2.973 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -2.797 20.289 3.907 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -3.620 19.601 2.590 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -1.949 19.885 2.492 1.00 0.00 H new ATOM 2277 N GLU B 49 -4.327 19.162 -3.809 1.00 0.00 N ATOM 2278 CA GLU B 49 -4.521 18.996 -5.282 1.00 0.00 C ATOM 2279 C GLU B 49 -5.845 18.261 -5.533 1.00 0.00 C ATOM 2280 O GLU B 49 -5.870 17.140 -6.000 1.00 0.00 O ATOM 2281 CB GLU B 49 -3.335 18.200 -5.860 1.00 0.00 C ATOM 2282 CG GLU B 49 -3.109 18.570 -7.333 1.00 0.00 C ATOM 2283 CD GLU B 49 -2.609 20.013 -7.435 1.00 0.00 C ATOM 2284 OE1 GLU B 49 -2.012 20.482 -6.480 1.00 0.00 O ATOM 2285 OE2 GLU B 49 -2.834 20.624 -8.466 1.00 0.00 O ATOM 0 H GLU B 49 -3.793 18.420 -3.356 1.00 0.00 H new ATOM 0 HA GLU B 49 -4.562 19.968 -5.773 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -2.434 18.408 -5.284 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -3.529 17.131 -5.773 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -2.383 17.891 -7.780 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -4.038 18.457 -7.892 1.00 0.00 H new ATOM 2292 N GLN B 50 -6.942 18.883 -5.204 1.00 0.00 N ATOM 2293 CA GLN B 50 -8.272 18.231 -5.392 1.00 0.00 C ATOM 2294 C GLN B 50 -8.358 17.565 -6.770 1.00 0.00 C ATOM 2295 O GLN B 50 -9.176 16.695 -6.994 1.00 0.00 O ATOM 2296 CB GLN B 50 -9.372 19.291 -5.287 1.00 0.00 C ATOM 2297 CG GLN B 50 -9.257 20.030 -3.952 1.00 0.00 C ATOM 2298 CD GLN B 50 -10.210 21.227 -3.948 1.00 0.00 C ATOM 2299 OE1 GLN B 50 -11.198 21.233 -4.656 1.00 0.00 O ATOM 2300 NE2 GLN B 50 -9.954 22.247 -3.176 1.00 0.00 N ATOM 0 H GLN B 50 -6.977 19.823 -4.809 1.00 0.00 H new ATOM 0 HA GLN B 50 -8.399 17.471 -4.621 1.00 0.00 H new ATOM 0 HB2 GLN B 50 -9.288 19.998 -6.112 1.00 0.00 H new ATOM 0 HB3 GLN B 50 -10.352 18.820 -5.369 1.00 0.00 H new ATOM 0 HG2 GLN B 50 -9.498 19.357 -3.129 1.00 0.00 H new ATOM 0 HG3 GLN B 50 -8.232 20.367 -3.798 1.00 0.00 H new ATOM 0 HE21 GLN B 50 -9.125 22.242 -2.582 1.00 0.00 H new ATOM 0 HE22 GLN B 50 -10.583 23.050 -3.166 1.00 0.00 H new ATOM 2309 N GLU B 51 -7.542 17.976 -7.700 1.00 0.00 N ATOM 2310 CA GLU B 51 -7.607 17.374 -9.065 1.00 0.00 C ATOM 2311 C GLU B 51 -7.011 15.960 -9.072 1.00 0.00 C ATOM 2312 O GLU B 51 -7.383 15.141 -9.888 1.00 0.00 O ATOM 2313 CB GLU B 51 -6.877 18.270 -10.065 1.00 0.00 C ATOM 2314 CG GLU B 51 -7.284 19.726 -9.828 1.00 0.00 C ATOM 2315 CD GLU B 51 -6.677 20.610 -10.918 1.00 0.00 C ATOM 2316 OE1 GLU B 51 -6.847 20.282 -12.081 1.00 0.00 O ATOM 2317 OE2 GLU B 51 -6.053 21.600 -10.572 1.00 0.00 O ATOM 0 H GLU B 51 -6.834 18.700 -7.577 1.00 0.00 H new ATOM 0 HA GLU B 51 -8.654 17.296 -9.359 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -5.799 18.158 -9.952 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -7.123 17.973 -11.084 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -8.370 19.817 -9.835 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -6.943 20.055 -8.846 1.00 0.00 H new ATOM 2324 N VAL B 52 -6.133 15.634 -8.165 1.00 0.00 N ATOM 2325 CA VAL B 52 -5.595 14.241 -8.148 1.00 0.00 C ATOM 2326 C VAL B 52 -6.677 13.325 -7.583 1.00 0.00 C ATOM 2327 O VAL B 52 -7.001 12.307 -8.161 1.00 0.00 O ATOM 2328 CB VAL B 52 -4.360 14.157 -7.252 1.00 0.00 C ATOM 2329 CG1 VAL B 52 -3.861 12.710 -7.209 1.00 0.00 C ATOM 2330 CG2 VAL B 52 -3.260 15.052 -7.814 1.00 0.00 C ATOM 0 H VAL B 52 -5.768 16.258 -7.445 1.00 0.00 H new ATOM 0 HA VAL B 52 -5.316 13.944 -9.159 1.00 0.00 H new ATOM 0 HB VAL B 52 -4.619 14.486 -6.246 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -2.980 12.648 -6.570 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -4.645 12.067 -6.810 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -3.602 12.384 -8.217 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -2.379 14.992 -7.174 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -3.001 14.722 -8.820 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -3.612 16.083 -7.850 1.00 0.00 H new ATOM 2340 N VAL B 53 -7.248 13.673 -6.466 1.00 0.00 N ATOM 2341 CA VAL B 53 -8.312 12.809 -5.893 1.00 0.00 C ATOM 2342 C VAL B 53 -9.475 12.752 -6.881 1.00 0.00 C ATOM 2343 O VAL B 53 -10.154 11.753 -7.007 1.00 0.00 O ATOM 2344 CB VAL B 53 -8.788 13.398 -4.565 1.00 0.00 C ATOM 2345 CG1 VAL B 53 -9.941 12.556 -4.012 1.00 0.00 C ATOM 2346 CG2 VAL B 53 -7.628 13.393 -3.567 1.00 0.00 C ATOM 0 H VAL B 53 -7.026 14.511 -5.929 1.00 0.00 H new ATOM 0 HA VAL B 53 -7.927 11.805 -5.716 1.00 0.00 H new ATOM 0 HB VAL B 53 -9.133 14.420 -4.723 1.00 0.00 H new ATOM 0 HG11 VAL B 53 -10.278 12.978 -3.065 1.00 0.00 H new ATOM 0 HG12 VAL B 53 -10.766 12.557 -4.724 1.00 0.00 H new ATOM 0 HG13 VAL B 53 -9.600 11.533 -3.852 1.00 0.00 H new ATOM 0 HG21 VAL B 53 -7.963 13.812 -2.618 1.00 0.00 H new ATOM 0 HG22 VAL B 53 -7.286 12.370 -3.411 1.00 0.00 H new ATOM 0 HG23 VAL B 53 -6.808 13.994 -3.960 1.00 0.00 H new ATOM 2356 N ASP B 54 -9.705 13.826 -7.586 1.00 0.00 N ATOM 2357 CA ASP B 54 -10.816 13.850 -8.575 1.00 0.00 C ATOM 2358 C ASP B 54 -10.593 12.754 -9.618 1.00 0.00 C ATOM 2359 O ASP B 54 -11.499 12.027 -9.972 1.00 0.00 O ATOM 2360 CB ASP B 54 -10.851 15.214 -9.267 1.00 0.00 C ATOM 2361 CG ASP B 54 -12.089 15.302 -10.161 1.00 0.00 C ATOM 2362 OD1 ASP B 54 -12.813 14.322 -10.235 1.00 0.00 O ATOM 2363 OD2 ASP B 54 -12.294 16.348 -10.754 1.00 0.00 O ATOM 0 H ASP B 54 -9.168 14.691 -7.518 1.00 0.00 H new ATOM 0 HA ASP B 54 -11.763 13.677 -8.064 1.00 0.00 H new ATOM 0 HB2 ASP B 54 -10.869 16.010 -8.523 1.00 0.00 H new ATOM 0 HB3 ASP B 54 -9.949 15.355 -9.862 1.00 0.00 H new ATOM 2368 N LYS B 55 -9.392 12.637 -10.125 1.00 0.00 N ATOM 2369 CA LYS B 55 -9.121 11.595 -11.156 1.00 0.00 C ATOM 2370 C LYS B 55 -9.209 10.208 -10.520 1.00 0.00 C ATOM 2371 O LYS B 55 -9.553 9.247 -11.179 1.00 0.00 O ATOM 2372 CB LYS B 55 -7.737 11.807 -11.771 1.00 0.00 C ATOM 2373 CG LYS B 55 -7.731 13.107 -12.578 1.00 0.00 C ATOM 2374 CD LYS B 55 -6.308 13.407 -13.053 1.00 0.00 C ATOM 2375 CE LYS B 55 -6.277 14.767 -13.753 1.00 0.00 C ATOM 2376 NZ LYS B 55 -6.725 15.823 -12.802 1.00 0.00 N ATOM 0 H LYS B 55 -8.592 13.216 -9.870 1.00 0.00 H new ATOM 0 HA LYS B 55 -9.867 11.673 -11.947 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -6.981 11.850 -10.987 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -7.481 10.966 -12.415 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -8.400 13.019 -13.434 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -8.102 13.929 -11.966 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -5.623 13.407 -12.205 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -5.970 12.627 -13.736 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -5.269 14.984 -14.106 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -6.925 14.752 -14.629 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -6.106 16.654 -12.890 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -7.704 16.096 -13.022 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -6.678 15.457 -11.830 1.00 0.00 H new ATOM 2390 N VAL B 56 -8.952 10.084 -9.246 1.00 0.00 N ATOM 2391 CA VAL B 56 -9.084 8.749 -8.603 1.00 0.00 C ATOM 2392 C VAL B 56 -10.555 8.342 -8.682 1.00 0.00 C ATOM 2393 O VAL B 56 -10.897 7.300 -9.205 1.00 0.00 O ATOM 2394 CB VAL B 56 -8.652 8.834 -7.135 1.00 0.00 C ATOM 2395 CG1 VAL B 56 -9.009 7.529 -6.417 1.00 0.00 C ATOM 2396 CG2 VAL B 56 -7.138 9.053 -7.066 1.00 0.00 C ATOM 0 H VAL B 56 -8.659 10.842 -8.629 1.00 0.00 H new ATOM 0 HA VAL B 56 -8.453 8.017 -9.108 1.00 0.00 H new ATOM 0 HB VAL B 56 -9.167 9.665 -6.652 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -8.701 7.592 -5.373 1.00 0.00 H new ATOM 0 HG12 VAL B 56 -10.086 7.368 -6.468 1.00 0.00 H new ATOM 0 HG13 VAL B 56 -8.495 6.697 -6.898 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -6.826 9.114 -6.023 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -6.627 8.220 -7.549 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -6.881 9.981 -7.576 1.00 0.00 H new ATOM 2406 N MET B 57 -11.428 9.164 -8.166 1.00 0.00 N ATOM 2407 CA MET B 57 -12.878 8.835 -8.211 1.00 0.00 C ATOM 2408 C MET B 57 -13.272 8.500 -9.654 1.00 0.00 C ATOM 2409 O MET B 57 -14.167 7.713 -9.892 1.00 0.00 O ATOM 2410 CB MET B 57 -13.691 10.045 -7.707 1.00 0.00 C ATOM 2411 CG MET B 57 -13.908 9.949 -6.190 1.00 0.00 C ATOM 2412 SD MET B 57 -12.354 9.509 -5.373 1.00 0.00 S ATOM 2413 CE MET B 57 -13.000 9.444 -3.681 1.00 0.00 C ATOM 0 H MET B 57 -11.198 10.050 -7.715 1.00 0.00 H new ATOM 0 HA MET B 57 -13.086 7.976 -7.573 1.00 0.00 H new ATOM 0 HB2 MET B 57 -13.166 10.970 -7.948 1.00 0.00 H new ATOM 0 HB3 MET B 57 -14.654 10.082 -8.217 1.00 0.00 H new ATOM 0 HG2 MET B 57 -14.275 10.901 -5.805 1.00 0.00 H new ATOM 0 HG3 MET B 57 -14.670 9.201 -5.969 1.00 0.00 H new ATOM 0 HE1 MET B 57 -12.195 9.184 -2.994 1.00 0.00 H new ATOM 0 HE2 MET B 57 -13.408 10.418 -3.410 1.00 0.00 H new ATOM 0 HE3 MET B 57 -13.786 8.691 -3.620 1.00 0.00 H new ATOM 2423 N GLU B 58 -12.596 9.070 -10.625 1.00 0.00 N ATOM 2424 CA GLU B 58 -12.917 8.758 -12.051 1.00 0.00 C ATOM 2425 C GLU B 58 -12.126 7.523 -12.485 1.00 0.00 C ATOM 2426 O GLU B 58 -12.628 6.676 -13.195 1.00 0.00 O ATOM 2427 CB GLU B 58 -12.573 9.950 -12.946 1.00 0.00 C ATOM 2428 CG GLU B 58 -13.260 9.784 -14.303 1.00 0.00 C ATOM 2429 CD GLU B 58 -12.883 10.952 -15.216 1.00 0.00 C ATOM 2430 OE1 GLU B 58 -13.466 12.012 -15.061 1.00 0.00 O ATOM 2431 OE2 GLU B 58 -12.017 10.766 -16.056 1.00 0.00 O ATOM 0 H GLU B 58 -11.837 9.737 -10.489 1.00 0.00 H new ATOM 0 HA GLU B 58 -13.984 8.557 -12.146 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -12.896 10.878 -12.474 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -11.493 10.019 -13.079 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -12.961 8.841 -14.760 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -14.341 9.746 -14.172 1.00 0.00 H new ATOM 2438 N THR B 59 -10.901 7.399 -12.051 1.00 0.00 N ATOM 2439 CA THR B 59 -10.106 6.200 -12.435 1.00 0.00 C ATOM 2440 C THR B 59 -10.747 4.980 -11.780 1.00 0.00 C ATOM 2441 O THR B 59 -10.915 3.953 -12.407 1.00 0.00 O ATOM 2442 CB THR B 59 -8.655 6.360 -11.972 1.00 0.00 C ATOM 2443 OG1 THR B 59 -8.125 7.568 -12.499 1.00 0.00 O ATOM 2444 CG2 THR B 59 -7.821 5.177 -12.467 1.00 0.00 C ATOM 0 H THR B 59 -10.420 8.070 -11.452 1.00 0.00 H new ATOM 0 HA THR B 59 -10.099 6.079 -13.518 1.00 0.00 H new ATOM 0 HB THR B 59 -8.623 6.390 -10.883 1.00 0.00 H new ATOM 0 HG1 THR B 59 -8.355 8.313 -11.905 1.00 0.00 H new ATOM 0 HG21 THR B 59 -6.789 5.295 -12.135 1.00 0.00 H new ATOM 0 HG22 THR B 59 -8.228 4.250 -12.063 1.00 0.00 H new ATOM 0 HG23 THR B 59 -7.850 5.142 -13.556 1.00 0.00 H new ATOM 2452 N LEU B 60 -11.151 5.082 -10.548 1.00 0.00 N ATOM 2453 CA LEU B 60 -11.828 3.932 -9.894 1.00 0.00 C ATOM 2454 C LEU B 60 -13.184 3.724 -10.574 1.00 0.00 C ATOM 2455 O LEU B 60 -13.468 2.664 -11.095 1.00 0.00 O ATOM 2456 CB LEU B 60 -12.036 4.258 -8.407 1.00 0.00 C ATOM 2457 CG LEU B 60 -12.916 3.193 -7.735 1.00 0.00 C ATOM 2458 CD1 LEU B 60 -12.327 1.795 -7.967 1.00 0.00 C ATOM 2459 CD2 LEU B 60 -12.975 3.475 -6.230 1.00 0.00 C ATOM 0 H LEU B 60 -11.042 5.912 -9.965 1.00 0.00 H new ATOM 0 HA LEU B 60 -11.226 3.027 -9.983 1.00 0.00 H new ATOM 0 HB2 LEU B 60 -11.071 4.310 -7.903 1.00 0.00 H new ATOM 0 HB3 LEU B 60 -12.502 5.238 -8.306 1.00 0.00 H new ATOM 0 HG LEU B 60 -13.917 3.230 -8.164 1.00 0.00 H new ATOM 0 HD11 LEU B 60 -12.960 1.049 -7.486 1.00 0.00 H new ATOM 0 HD12 LEU B 60 -12.278 1.594 -9.037 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -11.324 1.748 -7.543 1.00 0.00 H new ATOM 0 HD21 LEU B 60 -13.598 2.724 -5.743 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -11.969 3.438 -5.813 1.00 0.00 H new ATOM 0 HD23 LEU B 60 -13.401 4.464 -6.062 1.00 0.00 H new ATOM 2471 N ASP B 61 -14.023 4.726 -10.582 1.00 0.00 N ATOM 2472 CA ASP B 61 -15.351 4.570 -11.238 1.00 0.00 C ATOM 2473 C ASP B 61 -15.154 4.013 -12.649 1.00 0.00 C ATOM 2474 O ASP B 61 -16.065 3.473 -13.246 1.00 0.00 O ATOM 2475 CB ASP B 61 -16.048 5.930 -11.316 1.00 0.00 C ATOM 2476 CG ASP B 61 -16.505 6.351 -9.918 1.00 0.00 C ATOM 2477 OD1 ASP B 61 -16.278 5.592 -8.989 1.00 0.00 O ATOM 2478 OD2 ASP B 61 -17.073 7.423 -9.799 1.00 0.00 O ATOM 0 H ASP B 61 -13.846 5.640 -10.165 1.00 0.00 H new ATOM 0 HA ASP B 61 -15.967 3.884 -10.657 1.00 0.00 H new ATOM 0 HB2 ASP B 61 -15.368 6.676 -11.728 1.00 0.00 H new ATOM 0 HB3 ASP B 61 -16.904 5.874 -11.988 1.00 0.00 H new ATOM 2483 N GLU B 62 -13.965 4.137 -13.186 1.00 0.00 N ATOM 2484 CA GLU B 62 -13.689 3.614 -14.561 1.00 0.00 C ATOM 2485 C GLU B 62 -12.955 2.287 -14.456 1.00 0.00 C ATOM 2486 O GLU B 62 -12.008 2.009 -15.166 1.00 0.00 O ATOM 2487 CB GLU B 62 -12.820 4.593 -15.306 1.00 0.00 C ATOM 2488 CG GLU B 62 -13.656 5.791 -15.766 1.00 0.00 C ATOM 2489 CD GLU B 62 -12.742 6.834 -16.412 1.00 0.00 C ATOM 2490 OE1 GLU B 62 -11.538 6.640 -16.378 1.00 0.00 O ATOM 2491 OE2 GLU B 62 -13.262 7.809 -16.931 1.00 0.00 O ATOM 0 H GLU B 62 -13.169 4.581 -12.728 1.00 0.00 H new ATOM 0 HA GLU B 62 -14.631 3.478 -15.092 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -12.007 4.932 -14.664 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -12.364 4.105 -16.167 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -14.415 5.466 -16.478 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -14.182 6.228 -14.917 1.00 0.00 H new ATOM 2498 N ASP B 63 -13.404 1.488 -13.572 1.00 0.00 N ATOM 2499 CA ASP B 63 -12.790 0.142 -13.350 1.00 0.00 C ATOM 2500 C ASP B 63 -12.523 -0.516 -14.707 1.00 0.00 C ATOM 2501 O ASP B 63 -11.551 -1.222 -14.892 1.00 0.00 O ATOM 2502 CB ASP B 63 -13.793 -0.716 -12.574 1.00 0.00 C ATOM 2503 CG ASP B 63 -13.104 -1.973 -12.040 1.00 0.00 C ATOM 2504 OD1 ASP B 63 -11.896 -1.940 -11.872 1.00 0.00 O ATOM 2505 OD2 ASP B 63 -13.799 -2.948 -11.804 1.00 0.00 O ATOM 0 H ASP B 63 -14.195 1.697 -12.963 1.00 0.00 H new ATOM 0 HA ASP B 63 -11.856 0.237 -12.797 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -14.212 -0.142 -11.747 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -14.624 -0.994 -13.222 1.00 0.00 H new ATOM 2510 N GLY B 64 -13.367 -0.233 -15.660 1.00 0.00 N ATOM 2511 CA GLY B 64 -13.200 -0.774 -17.043 1.00 0.00 C ATOM 2512 C GLY B 64 -12.998 -2.302 -17.064 1.00 0.00 C ATOM 2513 O GLY B 64 -13.044 -2.909 -18.117 1.00 0.00 O ATOM 0 H GLY B 64 -14.185 0.364 -15.537 1.00 0.00 H new ATOM 0 HA2 GLY B 64 -14.078 -0.520 -17.637 1.00 0.00 H new ATOM 0 HA3 GLY B 64 -12.345 -0.292 -17.516 1.00 0.00 H new ATOM 2517 N ASP B 65 -12.778 -2.936 -15.934 1.00 0.00 N ATOM 2518 CA ASP B 65 -12.578 -4.433 -15.925 1.00 0.00 C ATOM 2519 C ASP B 65 -13.817 -5.181 -15.365 1.00 0.00 C ATOM 2520 O ASP B 65 -14.079 -6.292 -15.781 1.00 0.00 O ATOM 2521 CB ASP B 65 -11.364 -4.765 -15.055 1.00 0.00 C ATOM 2522 CG ASP B 65 -11.447 -3.987 -13.742 1.00 0.00 C ATOM 2523 OD1 ASP B 65 -12.260 -4.353 -12.910 1.00 0.00 O ATOM 2524 OD2 ASP B 65 -10.694 -3.039 -13.590 1.00 0.00 O ATOM 0 H ASP B 65 -12.728 -2.488 -15.019 1.00 0.00 H new ATOM 0 HA ASP B 65 -12.425 -4.759 -16.954 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -11.330 -5.836 -14.854 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -10.445 -4.511 -15.583 1.00 0.00 H new ATOM 2529 N GLY B 66 -14.579 -4.629 -14.438 1.00 0.00 N ATOM 2530 CA GLY B 66 -15.770 -5.362 -13.896 1.00 0.00 C ATOM 2531 C GLY B 66 -15.452 -5.867 -12.484 1.00 0.00 C ATOM 2532 O GLY B 66 -16.336 -6.076 -11.678 1.00 0.00 O ATOM 0 H GLY B 66 -14.424 -3.704 -14.037 1.00 0.00 H new ATOM 0 HA2 GLY B 66 -16.638 -4.703 -13.872 1.00 0.00 H new ATOM 0 HA3 GLY B 66 -16.023 -6.199 -14.546 1.00 0.00 H new ATOM 2536 N GLU B 67 -14.193 -6.053 -12.172 1.00 0.00 N ATOM 2537 CA GLU B 67 -13.822 -6.531 -10.801 1.00 0.00 C ATOM 2538 C GLU B 67 -12.456 -5.960 -10.407 1.00 0.00 C ATOM 2539 O GLU B 67 -11.509 -6.038 -11.165 1.00 0.00 O ATOM 2540 CB GLU B 67 -13.761 -8.059 -10.793 1.00 0.00 C ATOM 2541 CG GLU B 67 -15.156 -8.626 -11.058 1.00 0.00 C ATOM 2542 CD GLU B 67 -15.160 -10.129 -10.776 1.00 0.00 C ATOM 2543 OE1 GLU B 67 -14.844 -10.883 -11.682 1.00 0.00 O ATOM 2544 OE2 GLU B 67 -15.478 -10.501 -9.658 1.00 0.00 O ATOM 0 H GLU B 67 -13.408 -5.896 -12.804 1.00 0.00 H new ATOM 0 HA GLU B 67 -14.572 -6.194 -10.086 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -13.064 -8.410 -11.554 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -13.389 -8.414 -9.832 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -15.889 -8.125 -10.426 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -15.445 -8.439 -12.092 1.00 0.00 H new ATOM 2551 N CYS B 68 -12.338 -5.389 -9.229 1.00 0.00 N ATOM 2552 CA CYS B 68 -11.023 -4.815 -8.786 1.00 0.00 C ATOM 2553 C CYS B 68 -10.387 -5.741 -7.745 1.00 0.00 C ATOM 2554 O CYS B 68 -11.002 -6.103 -6.762 1.00 0.00 O ATOM 2555 CB CYS B 68 -11.254 -3.437 -8.164 1.00 0.00 C ATOM 2556 SG CYS B 68 -12.385 -2.488 -9.211 1.00 0.00 S ATOM 0 H CYS B 68 -13.097 -5.295 -8.554 1.00 0.00 H new ATOM 0 HA CYS B 68 -10.359 -4.722 -9.645 1.00 0.00 H new ATOM 0 HB2 CYS B 68 -11.670 -3.543 -7.162 1.00 0.00 H new ATOM 0 HB3 CYS B 68 -10.306 -2.909 -8.061 1.00 0.00 H new ATOM 0 HG CYS B 68 -11.727 -1.977 -10.209 1.00 0.00 H new ATOM 2562 N ASP B 69 -9.161 -6.138 -7.962 1.00 0.00 N ATOM 2563 CA ASP B 69 -8.484 -7.055 -6.996 1.00 0.00 C ATOM 2564 C ASP B 69 -7.825 -6.253 -5.868 1.00 0.00 C ATOM 2565 O ASP B 69 -8.000 -5.057 -5.750 1.00 0.00 O ATOM 2566 CB ASP B 69 -7.410 -7.861 -7.730 1.00 0.00 C ATOM 2567 CG ASP B 69 -8.060 -8.692 -8.836 1.00 0.00 C ATOM 2568 OD1 ASP B 69 -8.207 -8.175 -9.930 1.00 0.00 O ATOM 2569 OD2 ASP B 69 -8.399 -9.833 -8.569 1.00 0.00 O ATOM 0 H ASP B 69 -8.598 -5.867 -8.768 1.00 0.00 H new ATOM 0 HA ASP B 69 -9.229 -7.725 -6.567 1.00 0.00 H new ATOM 0 HB2 ASP B 69 -6.665 -7.190 -8.156 1.00 0.00 H new ATOM 0 HB3 ASP B 69 -6.888 -8.513 -7.030 1.00 0.00 H new ATOM 2574 N PHE B 70 -7.056 -6.918 -5.043 1.00 0.00 N ATOM 2575 CA PHE B 70 -6.361 -6.223 -3.918 1.00 0.00 C ATOM 2576 C PHE B 70 -5.196 -5.406 -4.487 1.00 0.00 C ATOM 2577 O PHE B 70 -4.904 -4.326 -4.014 1.00 0.00 O ATOM 2578 CB PHE B 70 -5.845 -7.281 -2.928 1.00 0.00 C ATOM 2579 CG PHE B 70 -5.506 -6.675 -1.577 1.00 0.00 C ATOM 2580 CD1 PHE B 70 -4.422 -5.794 -1.447 1.00 0.00 C ATOM 2581 CD2 PHE B 70 -6.262 -7.020 -0.446 1.00 0.00 C ATOM 2582 CE1 PHE B 70 -4.099 -5.262 -0.193 1.00 0.00 C ATOM 2583 CE2 PHE B 70 -5.937 -6.484 0.806 1.00 0.00 C ATOM 2584 CZ PHE B 70 -4.855 -5.607 0.932 1.00 0.00 C ATOM 0 H PHE B 70 -6.879 -7.921 -5.102 1.00 0.00 H new ATOM 0 HA PHE B 70 -7.044 -5.552 -3.397 1.00 0.00 H new ATOM 0 HB2 PHE B 70 -6.600 -8.056 -2.799 1.00 0.00 H new ATOM 0 HB3 PHE B 70 -4.960 -7.764 -3.342 1.00 0.00 H new ATOM 0 HD1 PHE B 70 -3.837 -5.526 -2.314 1.00 0.00 H new ATOM 0 HD2 PHE B 70 -7.096 -7.700 -0.542 1.00 0.00 H new ATOM 0 HE1 PHE B 70 -3.264 -4.584 -0.094 1.00 0.00 H new ATOM 0 HE2 PHE B 70 -6.522 -6.748 1.675 1.00 0.00 H new ATOM 0 HZ PHE B 70 -4.603 -5.196 1.898 1.00 0.00 H new ATOM 2594 N GLN B 71 -4.532 -5.895 -5.496 1.00 0.00 N ATOM 2595 CA GLN B 71 -3.398 -5.118 -6.073 1.00 0.00 C ATOM 2596 C GLN B 71 -3.912 -3.758 -6.560 1.00 0.00 C ATOM 2597 O GLN B 71 -3.242 -2.753 -6.435 1.00 0.00 O ATOM 2598 CB GLN B 71 -2.798 -5.899 -7.248 1.00 0.00 C ATOM 2599 CG GLN B 71 -1.606 -5.138 -7.841 1.00 0.00 C ATOM 2600 CD GLN B 71 -0.512 -4.982 -6.782 1.00 0.00 C ATOM 2601 OE1 GLN B 71 -0.068 -5.953 -6.203 1.00 0.00 O ATOM 2602 NE2 GLN B 71 -0.058 -3.791 -6.503 1.00 0.00 N ATOM 0 H GLN B 71 -4.722 -6.791 -5.944 1.00 0.00 H new ATOM 0 HA GLN B 71 -2.631 -4.962 -5.314 1.00 0.00 H new ATOM 0 HB2 GLN B 71 -2.478 -6.885 -6.912 1.00 0.00 H new ATOM 0 HB3 GLN B 71 -3.557 -6.055 -8.015 1.00 0.00 H new ATOM 0 HG2 GLN B 71 -1.214 -5.674 -8.706 1.00 0.00 H new ATOM 0 HG3 GLN B 71 -1.927 -4.157 -8.192 1.00 0.00 H new ATOM 0 HE21 GLN B 71 -0.431 -2.976 -6.990 1.00 0.00 H new ATOM 0 HE22 GLN B 71 0.670 -3.675 -5.798 1.00 0.00 H new ATOM 2611 N GLU B 72 -5.093 -3.715 -7.111 1.00 0.00 N ATOM 2612 CA GLU B 72 -5.643 -2.416 -7.600 1.00 0.00 C ATOM 2613 C GLU B 72 -6.074 -1.542 -6.415 1.00 0.00 C ATOM 2614 O GLU B 72 -6.092 -0.331 -6.499 1.00 0.00 O ATOM 2615 CB GLU B 72 -6.839 -2.674 -8.517 1.00 0.00 C ATOM 2616 CG GLU B 72 -6.369 -3.426 -9.763 1.00 0.00 C ATOM 2617 CD GLU B 72 -7.556 -3.655 -10.699 1.00 0.00 C ATOM 2618 OE1 GLU B 72 -8.466 -2.843 -10.680 1.00 0.00 O ATOM 2619 OE2 GLU B 72 -7.535 -4.640 -11.419 1.00 0.00 O ATOM 0 H GLU B 72 -5.702 -4.522 -7.245 1.00 0.00 H new ATOM 0 HA GLU B 72 -4.867 -1.892 -8.158 1.00 0.00 H new ATOM 0 HB2 GLU B 72 -7.596 -3.256 -7.991 1.00 0.00 H new ATOM 0 HB3 GLU B 72 -7.304 -1.730 -8.802 1.00 0.00 H new ATOM 0 HG2 GLU B 72 -5.594 -2.855 -10.274 1.00 0.00 H new ATOM 0 HG3 GLU B 72 -5.927 -4.381 -9.479 1.00 0.00 H new ATOM 2626 N PHE B 73 -6.388 -2.150 -5.303 1.00 0.00 N ATOM 2627 CA PHE B 73 -6.789 -1.370 -4.092 1.00 0.00 C ATOM 2628 C PHE B 73 -5.542 -0.759 -3.444 1.00 0.00 C ATOM 2629 O PHE B 73 -5.567 0.380 -3.021 1.00 0.00 O ATOM 2630 CB PHE B 73 -7.533 -2.285 -3.106 1.00 0.00 C ATOM 2631 CG PHE B 73 -7.590 -1.657 -1.725 1.00 0.00 C ATOM 2632 CD1 PHE B 73 -8.126 -0.374 -1.557 1.00 0.00 C ATOM 2633 CD2 PHE B 73 -7.110 -2.364 -0.613 1.00 0.00 C ATOM 2634 CE1 PHE B 73 -8.183 0.200 -0.281 1.00 0.00 C ATOM 2635 CE2 PHE B 73 -7.168 -1.789 0.661 1.00 0.00 C ATOM 2636 CZ PHE B 73 -7.704 -0.508 0.827 1.00 0.00 C ATOM 0 H PHE B 73 -6.384 -3.162 -5.179 1.00 0.00 H new ATOM 0 HA PHE B 73 -7.462 -0.562 -4.378 1.00 0.00 H new ATOM 0 HB2 PHE B 73 -8.544 -2.471 -3.468 1.00 0.00 H new ATOM 0 HB3 PHE B 73 -7.032 -3.251 -3.051 1.00 0.00 H new ATOM 0 HD1 PHE B 73 -8.495 0.173 -2.412 1.00 0.00 H new ATOM 0 HD2 PHE B 73 -6.695 -3.353 -0.740 1.00 0.00 H new ATOM 0 HE1 PHE B 73 -8.597 1.189 -0.152 1.00 0.00 H new ATOM 0 HE2 PHE B 73 -6.799 -2.335 1.517 1.00 0.00 H new ATOM 0 HZ PHE B 73 -7.748 -0.065 1.811 1.00 0.00 H new ATOM 2646 N MET B 74 -4.457 -1.465 -3.362 1.00 0.00 N ATOM 2647 CA MET B 74 -3.259 -0.840 -2.739 1.00 0.00 C ATOM 2648 C MET B 74 -2.785 0.307 -3.633 1.00 0.00 C ATOM 2649 O MET B 74 -2.200 1.257 -3.153 1.00 0.00 O ATOM 2650 CB MET B 74 -2.141 -1.870 -2.566 1.00 0.00 C ATOM 2651 CG MET B 74 -1.103 -1.342 -1.566 1.00 0.00 C ATOM 2652 SD MET B 74 -1.651 -1.711 0.124 1.00 0.00 S ATOM 2653 CE MET B 74 -1.858 -0.009 0.715 1.00 0.00 C ATOM 0 H MET B 74 -4.344 -2.424 -3.689 1.00 0.00 H new ATOM 0 HA MET B 74 -3.520 -0.459 -1.752 1.00 0.00 H new ATOM 0 HB2 MET B 74 -2.555 -2.814 -2.212 1.00 0.00 H new ATOM 0 HB3 MET B 74 -1.666 -2.071 -3.526 1.00 0.00 H new ATOM 0 HG2 MET B 74 -0.133 -1.803 -1.754 1.00 0.00 H new ATOM 0 HG3 MET B 74 -0.975 -0.267 -1.692 1.00 0.00 H new ATOM 0 HE1 MET B 74 -1.702 0.023 1.793 1.00 0.00 H new ATOM 0 HE2 MET B 74 -1.131 0.638 0.224 1.00 0.00 H new ATOM 0 HE3 MET B 74 -2.865 0.337 0.483 1.00 0.00 H new ATOM 2663 N ALA B 75 -3.042 0.269 -4.908 1.00 0.00 N ATOM 2664 CA ALA B 75 -2.615 1.400 -5.782 1.00 0.00 C ATOM 2665 C ALA B 75 -3.539 2.608 -5.568 1.00 0.00 C ATOM 2666 O ALA B 75 -3.077 3.724 -5.437 1.00 0.00 O ATOM 2667 CB ALA B 75 -2.686 0.961 -7.246 1.00 0.00 C ATOM 0 H ALA B 75 -3.527 -0.492 -5.384 1.00 0.00 H new ATOM 0 HA ALA B 75 -1.593 1.683 -5.529 1.00 0.00 H new ATOM 0 HB1 ALA B 75 -2.375 1.785 -7.888 1.00 0.00 H new ATOM 0 HB2 ALA B 75 -2.025 0.109 -7.403 1.00 0.00 H new ATOM 0 HB3 ALA B 75 -3.709 0.676 -7.491 1.00 0.00 H new ATOM 2673 N PHE B 76 -4.831 2.414 -5.526 1.00 0.00 N ATOM 2674 CA PHE B 76 -5.737 3.585 -5.314 1.00 0.00 C ATOM 2675 C PHE B 76 -5.474 4.185 -3.930 1.00 0.00 C ATOM 2676 O PHE B 76 -5.587 5.379 -3.733 1.00 0.00 O ATOM 2677 CB PHE B 76 -7.209 3.155 -5.410 1.00 0.00 C ATOM 2678 CG PHE B 76 -7.592 2.897 -6.856 1.00 0.00 C ATOM 2679 CD1 PHE B 76 -7.509 3.928 -7.804 1.00 0.00 C ATOM 2680 CD2 PHE B 76 -8.032 1.624 -7.250 1.00 0.00 C ATOM 2681 CE1 PHE B 76 -7.860 3.684 -9.136 1.00 0.00 C ATOM 2682 CE2 PHE B 76 -8.384 1.384 -8.583 1.00 0.00 C ATOM 2683 CZ PHE B 76 -8.297 2.414 -9.526 1.00 0.00 C ATOM 0 H PHE B 76 -5.294 1.511 -5.627 1.00 0.00 H new ATOM 0 HA PHE B 76 -5.537 4.327 -6.087 1.00 0.00 H new ATOM 0 HB2 PHE B 76 -7.371 2.254 -4.818 1.00 0.00 H new ATOM 0 HB3 PHE B 76 -7.849 3.931 -4.991 1.00 0.00 H new ATOM 0 HD1 PHE B 76 -7.174 4.910 -7.505 1.00 0.00 H new ATOM 0 HD2 PHE B 76 -8.099 0.828 -6.523 1.00 0.00 H new ATOM 0 HE1 PHE B 76 -7.793 4.478 -9.865 1.00 0.00 H new ATOM 0 HE2 PHE B 76 -8.723 0.404 -8.884 1.00 0.00 H new ATOM 0 HZ PHE B 76 -8.567 2.228 -10.555 1.00 0.00 H new ATOM 2693 N VAL B 77 -5.119 3.376 -2.975 1.00 0.00 N ATOM 2694 CA VAL B 77 -4.845 3.918 -1.613 1.00 0.00 C ATOM 2695 C VAL B 77 -3.592 4.801 -1.663 1.00 0.00 C ATOM 2696 O VAL B 77 -3.498 5.798 -0.975 1.00 0.00 O ATOM 2697 CB VAL B 77 -4.626 2.756 -0.634 1.00 0.00 C ATOM 2698 CG1 VAL B 77 -4.050 3.279 0.688 1.00 0.00 C ATOM 2699 CG2 VAL B 77 -5.964 2.069 -0.357 1.00 0.00 C ATOM 0 H VAL B 77 -5.006 2.367 -3.075 1.00 0.00 H new ATOM 0 HA VAL B 77 -5.693 4.514 -1.276 1.00 0.00 H new ATOM 0 HB VAL B 77 -3.925 2.048 -1.076 1.00 0.00 H new ATOM 0 HG11 VAL B 77 -3.899 2.446 1.374 1.00 0.00 H new ATOM 0 HG12 VAL B 77 -3.096 3.771 0.500 1.00 0.00 H new ATOM 0 HG13 VAL B 77 -4.745 3.992 1.131 1.00 0.00 H new ATOM 0 HG21 VAL B 77 -5.812 1.243 0.338 1.00 0.00 H new ATOM 0 HG22 VAL B 77 -6.658 2.787 0.079 1.00 0.00 H new ATOM 0 HG23 VAL B 77 -6.377 1.686 -1.290 1.00 0.00 H new ATOM 2709 N SER B 78 -2.628 4.441 -2.464 1.00 0.00 N ATOM 2710 CA SER B 78 -1.384 5.258 -2.545 1.00 0.00 C ATOM 2711 C SER B 78 -1.667 6.581 -3.264 1.00 0.00 C ATOM 2712 O SER B 78 -1.391 7.647 -2.750 1.00 0.00 O ATOM 2713 CB SER B 78 -0.316 4.480 -3.314 1.00 0.00 C ATOM 2714 OG SER B 78 -0.617 4.519 -4.703 1.00 0.00 O ATOM 0 H SER B 78 -2.647 3.617 -3.066 1.00 0.00 H new ATOM 0 HA SER B 78 -1.031 5.471 -1.536 1.00 0.00 H new ATOM 0 HB2 SER B 78 0.668 4.912 -3.131 1.00 0.00 H new ATOM 0 HB3 SER B 78 -0.281 3.448 -2.966 1.00 0.00 H new ATOM 0 HG SER B 78 -0.173 5.291 -5.112 1.00 0.00 H new ATOM 2720 N MET B 79 -2.191 6.523 -4.457 1.00 0.00 N ATOM 2721 CA MET B 79 -2.461 7.779 -5.215 1.00 0.00 C ATOM 2722 C MET B 79 -3.245 8.769 -4.351 1.00 0.00 C ATOM 2723 O MET B 79 -3.006 9.958 -4.393 1.00 0.00 O ATOM 2724 CB MET B 79 -3.279 7.453 -6.470 1.00 0.00 C ATOM 2725 CG MET B 79 -2.457 6.574 -7.417 1.00 0.00 C ATOM 2726 SD MET B 79 -3.178 6.648 -9.081 1.00 0.00 S ATOM 2727 CE MET B 79 -3.675 4.912 -9.226 1.00 0.00 C ATOM 0 H MET B 79 -2.444 5.661 -4.940 1.00 0.00 H new ATOM 0 HA MET B 79 -1.508 8.228 -5.495 1.00 0.00 H new ATOM 0 HB2 MET B 79 -4.199 6.940 -6.191 1.00 0.00 H new ATOM 0 HB3 MET B 79 -3.568 8.375 -6.975 1.00 0.00 H new ATOM 0 HG2 MET B 79 -1.422 6.915 -7.441 1.00 0.00 H new ATOM 0 HG3 MET B 79 -2.446 5.545 -7.058 1.00 0.00 H new ATOM 0 HE1 MET B 79 -4.146 4.748 -10.195 1.00 0.00 H new ATOM 0 HE2 MET B 79 -2.796 4.273 -9.137 1.00 0.00 H new ATOM 0 HE3 MET B 79 -4.382 4.668 -8.433 1.00 0.00 H new ATOM 2737 N VAL B 80 -4.179 8.298 -3.575 1.00 0.00 N ATOM 2738 CA VAL B 80 -4.971 9.234 -2.724 1.00 0.00 C ATOM 2739 C VAL B 80 -4.117 9.719 -1.551 1.00 0.00 C ATOM 2740 O VAL B 80 -4.120 10.885 -1.216 1.00 0.00 O ATOM 2741 CB VAL B 80 -6.212 8.517 -2.186 1.00 0.00 C ATOM 2742 CG1 VAL B 80 -7.006 9.470 -1.288 1.00 0.00 C ATOM 2743 CG2 VAL B 80 -7.091 8.067 -3.355 1.00 0.00 C ATOM 0 H VAL B 80 -4.429 7.313 -3.491 1.00 0.00 H new ATOM 0 HA VAL B 80 -5.277 10.090 -3.326 1.00 0.00 H new ATOM 0 HB VAL B 80 -5.903 7.646 -1.608 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -7.889 8.958 -0.906 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -6.381 9.789 -0.453 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -7.313 10.342 -1.865 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -7.974 7.557 -2.971 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -7.398 8.937 -3.935 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -6.527 7.386 -3.993 1.00 0.00 H new ATOM 2753 N THR B 81 -3.378 8.846 -0.928 1.00 0.00 N ATOM 2754 CA THR B 81 -2.526 9.290 0.207 1.00 0.00 C ATOM 2755 C THR B 81 -1.406 10.175 -0.343 1.00 0.00 C ATOM 2756 O THR B 81 -1.076 11.201 0.216 1.00 0.00 O ATOM 2757 CB THR B 81 -1.922 8.070 0.911 1.00 0.00 C ATOM 2758 OG1 THR B 81 -2.923 7.076 1.071 1.00 0.00 O ATOM 2759 CG2 THR B 81 -1.385 8.483 2.284 1.00 0.00 C ATOM 0 H THR B 81 -3.327 7.852 -1.153 1.00 0.00 H new ATOM 0 HA THR B 81 -3.125 9.849 0.926 1.00 0.00 H new ATOM 0 HB THR B 81 -1.105 7.671 0.310 1.00 0.00 H new ATOM 0 HG1 THR B 81 -2.793 6.371 0.403 1.00 0.00 H new ATOM 0 HG21 THR B 81 -0.956 7.614 2.783 1.00 0.00 H new ATOM 0 HG22 THR B 81 -0.617 9.246 2.160 1.00 0.00 H new ATOM 0 HG23 THR B 81 -2.199 8.883 2.888 1.00 0.00 H new ATOM 2767 N THR B 82 -0.827 9.781 -1.445 1.00 0.00 N ATOM 2768 CA THR B 82 0.268 10.587 -2.052 1.00 0.00 C ATOM 2769 C THR B 82 -0.314 11.853 -2.690 1.00 0.00 C ATOM 2770 O THR B 82 0.385 12.822 -2.909 1.00 0.00 O ATOM 2771 CB THR B 82 0.986 9.757 -3.118 1.00 0.00 C ATOM 2772 OG1 THR B 82 0.044 9.314 -4.085 1.00 0.00 O ATOM 2773 CG2 THR B 82 1.655 8.549 -2.460 1.00 0.00 C ATOM 0 H THR B 82 -1.068 8.930 -1.953 1.00 0.00 H new ATOM 0 HA THR B 82 0.979 10.871 -1.276 1.00 0.00 H new ATOM 0 HB THR B 82 1.746 10.368 -3.606 1.00 0.00 H new ATOM 0 HG1 THR B 82 -0.490 8.583 -3.710 1.00 0.00 H new ATOM 0 HG21 THR B 82 2.166 7.958 -3.220 1.00 0.00 H new ATOM 0 HG22 THR B 82 2.378 8.892 -1.720 1.00 0.00 H new ATOM 0 HG23 THR B 82 0.898 7.935 -1.971 1.00 0.00 H new ATOM 2781 N ALA B 83 -1.588 11.859 -2.986 1.00 0.00 N ATOM 2782 CA ALA B 83 -2.195 13.075 -3.601 1.00 0.00 C ATOM 2783 C ALA B 83 -1.891 14.274 -2.708 1.00 0.00 C ATOM 2784 O ALA B 83 -1.764 15.392 -3.166 1.00 0.00 O ATOM 2785 CB ALA B 83 -3.711 12.901 -3.713 1.00 0.00 C ATOM 0 H ALA B 83 -2.229 11.081 -2.830 1.00 0.00 H new ATOM 0 HA ALA B 83 -1.780 13.229 -4.597 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -4.147 13.793 -4.163 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -3.933 12.035 -4.336 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -4.134 12.751 -2.720 1.00 0.00 H new