USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 928 hydrogens (10 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 NoAdj-H: X 501 TSA HO4 : X 501 TSA O4 : X 501 TSA C11 :(short bond) USER MOD NoAdj-H: X 501 TSA HO2 : X 501 TSA O2 : X 501 TSA C10 :(short bond) USER MOD Set 1.1: X 45 LYS NZ :NH3+ 170:sc= -0.111 (180deg=-0.304) USER MOD Set 1.2: X 90 ASN : amide:sc= -8.06! C(o=-14!,f=-10!) USER MOD Set 1.3: X 94 GLN : amide:sc= -5.41! K(o=-14!,f=-8.7) USER MOD Set 2.1: X 39 LYS NZ :NH3+ -158:sc= 0.498 (180deg=0.273) USER MOD Set 2.2: X 97 TYR OH : rot 180:sc= -0.0203 USER MOD Single : X 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : X 1 MET N :NH3+ 172:sc= 0.219 (180deg=-0.0903) USER MOD Single : X 4 LYS NZ :NH3+ -150:sc= -0.174 (180deg=-0.923) USER MOD Single : X 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 17 ASN : amide:sc= -6.8! C(o=-6.8!,f=-2.1!) USER MOD Single : X 18 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.132) USER MOD Single : X 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 29 LYS NZ :NH3+ 159:sc= -0.0365 (180deg=-0.45) USER MOD Single : X 35 ASN : amide:sc= -3.48! C(o=-3.5!,f=-7.1!) USER MOD Single : X 36 SER OG : rot -55:sc= -1.81! USER MOD Single : X 46 ASN : amide:sc= -0.2 X(o=-0.2,f=0) USER MOD Single : X 47 GLN : amide:sc= -1.89! K(o=-1.9!,f=-1) USER MOD Single : X 53 ASN : amide:sc= -1.71! K(o=-1.7!,f=-1.1) USER MOD Single : X 59 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.123) USER MOD Single : X 60 TYR OH : rot 180:sc= 0 USER MOD Single : X 62 TYR OH : rot -174:sc= -0.788 USER MOD Single : X 67 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.148) USER MOD Single : X 69 CYS SG : rot -52:sc= -0.578 USER MOD Single : X 70 LYS NZ :NH3+ 147:sc= -0.663! (180deg=-5.53!) USER MOD Single : X 72 HIS : no HD1:sc= -0.0977 X(o=-0.098,f=0.001) USER MOD Single : X 73 ASN : amide:sc= -3.25! K(o=-3.2!,f=-1.1) USER MOD Single : X 77 ASN : amide:sc= -4.83! K(o=-4.8!,f=-0.52) USER MOD Single : X 81 LYS NZ :NH3+ -151:sc= -0.0808 (180deg=-0.585) USER MOD Single : X 84 GLN : amide:sc= -1.07 X(o=-1.1,f=-1.2) USER MOD Single : X 89 HIS : no HE2:sc= -4.21! C(o=-4.2!,f=-12!) USER MOD Single : X 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 96 GLN : amide:sc= -1.17 K(o=-1.2,f=-2.2) USER MOD Single : X 101 THR OG1 : rot 26:sc= 0.627 USER MOD Single : X 104 HIS : no HD1:sc= 0 X(o=0,f=-0.036) USER MOD Single : X 501 TSA O5 : rot 49:sc= 0.943 USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 -19.062 -10.961 0.185 1.00 5.23 N ATOM 2 CA MET X 1 -19.480 -12.391 0.235 1.00 13.21 C ATOM 3 C MET X 1 -18.265 -13.276 -0.060 1.00 1.52 C ATOM 4 O MET X 1 -18.298 -14.476 0.127 1.00 71.25 O ATOM 5 CB MET X 1 -20.570 -12.641 -0.815 1.00 34.01 C ATOM 6 CG MET X 1 -21.823 -11.823 -0.473 1.00 33.13 C ATOM 7 SD MET X 1 -21.597 -10.111 -1.021 1.00 63.13 S ATOM 8 CE MET X 1 -23.317 -9.574 -0.848 1.00 62.43 C ATOM 0 H1 MET X 1 -19.902 -10.351 0.249 1.00 5.23 H new ATOM 0 H2 MET X 1 -18.425 -10.757 0.981 1.00 5.23 H new ATOM 0 H3 MET X 1 -18.567 -10.775 -0.711 1.00 5.23 H new ATOM 0 HA MET X 1 -19.874 -12.628 1.223 1.00 13.21 H new ATOM 0 HB2 MET X 1 -20.204 -12.366 -1.804 1.00 34.01 H new ATOM 0 HB3 MET X 1 -20.816 -13.702 -0.850 1.00 34.01 H new ATOM 0 HG2 MET X 1 -22.697 -12.258 -0.957 1.00 33.13 H new ATOM 0 HG3 MET X 1 -22.006 -11.851 0.601 1.00 33.13 H new ATOM 0 HE1 MET X 1 -23.402 -8.527 -1.140 1.00 62.43 H new ATOM 0 HE2 MET X 1 -23.954 -10.183 -1.489 1.00 62.43 H new ATOM 0 HE3 MET X 1 -23.631 -9.688 0.189 1.00 62.43 H new ATOM 20 N ILE X 2 -17.192 -12.689 -0.515 1.00 52.44 N ATOM 21 CA ILE X 2 -15.971 -13.491 -0.821 1.00 43.30 C ATOM 22 C ILE X 2 -14.727 -12.702 -0.392 1.00 61.41 C ATOM 23 O ILE X 2 -14.601 -11.525 -0.665 1.00 51.22 O ATOM 24 CB ILE X 2 -15.910 -13.766 -2.327 1.00 13.45 C ATOM 25 CG1 ILE X 2 -14.554 -14.388 -2.677 1.00 22.45 C ATOM 26 CG2 ILE X 2 -16.085 -12.456 -3.098 1.00 4.24 C ATOM 27 CD1 ILE X 2 -14.351 -15.672 -1.868 1.00 43.01 C ATOM 0 H ILE X 2 -17.107 -11.687 -0.689 1.00 52.44 H new ATOM 0 HA ILE X 2 -16.006 -14.437 -0.280 1.00 43.30 H new ATOM 0 HB ILE X 2 -16.709 -14.455 -2.601 1.00 13.45 H new ATOM 0 HG12 ILE X 2 -14.508 -14.608 -3.744 1.00 22.45 H new ATOM 0 HG13 ILE X 2 -13.753 -13.681 -2.463 1.00 22.45 H new ATOM 0 HG21 ILE X 2 -16.041 -12.655 -4.169 1.00 4.24 H new ATOM 0 HG22 ILE X 2 -17.050 -12.014 -2.850 1.00 4.24 H new ATOM 0 HG23 ILE X 2 -15.288 -11.764 -2.825 1.00 4.24 H new ATOM 0 HD11 ILE X 2 -13.386 -16.112 -2.119 1.00 43.01 H new ATOM 0 HD12 ILE X 2 -14.378 -15.439 -0.803 1.00 43.01 H new ATOM 0 HD13 ILE X 2 -15.145 -16.380 -2.104 1.00 43.01 H new ATOM 39 N GLU X 3 -13.805 -13.345 0.277 1.00 4.02 N ATOM 40 CA GLU X 3 -12.564 -12.641 0.720 1.00 64.43 C ATOM 41 C GLU X 3 -11.873 -12.008 -0.494 1.00 44.52 C ATOM 42 O GLU X 3 -10.672 -12.090 -0.650 1.00 45.41 O ATOM 43 CB GLU X 3 -11.615 -13.651 1.371 1.00 74.44 C ATOM 44 CG GLU X 3 -12.241 -14.197 2.657 1.00 61.30 C ATOM 45 CD GLU X 3 -12.367 -13.075 3.686 1.00 44.21 C ATOM 46 OE1 GLU X 3 -11.669 -12.085 3.541 1.00 32.24 O ATOM 47 OE2 GLU X 3 -13.158 -13.222 4.602 1.00 5.25 O ATOM 0 H GLU X 3 -13.858 -14.330 0.536 1.00 4.02 H new ATOM 0 HA GLU X 3 -12.824 -11.863 1.438 1.00 64.43 H new ATOM 0 HB2 GLU X 3 -11.410 -14.469 0.680 1.00 74.44 H new ATOM 0 HB3 GLU X 3 -10.660 -13.175 1.594 1.00 74.44 H new ATOM 0 HG2 GLU X 3 -13.223 -14.620 2.444 1.00 61.30 H new ATOM 0 HG3 GLU X 3 -11.627 -15.004 3.058 1.00 61.30 H new ATOM 54 N LYS X 4 -12.630 -11.379 -1.353 1.00 52.15 N ATOM 55 CA LYS X 4 -12.027 -10.700 -2.537 1.00 51.42 C ATOM 56 C LYS X 4 -11.074 -9.587 -2.068 1.00 14.52 C ATOM 57 O LYS X 4 -10.025 -9.372 -2.643 1.00 43.43 O ATOM 58 CB LYS X 4 -13.149 -10.095 -3.394 1.00 63.21 C ATOM 59 CG LYS X 4 -13.542 -11.083 -4.500 1.00 64.34 C ATOM 60 CD LYS X 4 -12.583 -10.934 -5.689 1.00 64.45 C ATOM 61 CE LYS X 4 -13.107 -9.858 -6.646 1.00 62.12 C ATOM 62 NZ LYS X 4 -14.393 -10.313 -7.251 1.00 55.51 N ATOM 0 H LYS X 4 -13.645 -11.306 -1.285 1.00 52.15 H new ATOM 0 HA LYS X 4 -11.464 -11.423 -3.127 1.00 51.42 H new ATOM 0 HB2 LYS X 4 -14.014 -9.868 -2.771 1.00 63.21 H new ATOM 0 HB3 LYS X 4 -12.817 -9.154 -3.834 1.00 63.21 H new ATOM 0 HG2 LYS X 4 -13.508 -12.104 -4.119 1.00 64.34 H new ATOM 0 HG3 LYS X 4 -14.567 -10.896 -4.821 1.00 64.34 H new ATOM 0 HD2 LYS X 4 -11.588 -10.665 -5.334 1.00 64.45 H new ATOM 0 HD3 LYS X 4 -12.488 -11.885 -6.213 1.00 64.45 H new ATOM 0 HE2 LYS X 4 -13.257 -8.921 -6.110 1.00 62.12 H new ATOM 0 HE3 LYS X 4 -12.373 -9.664 -7.428 1.00 62.12 H new ATOM 0 HZ1 LYS X 4 -14.494 -9.903 -8.201 1.00 55.51 H new ATOM 0 HZ2 LYS X 4 -14.396 -11.351 -7.320 1.00 55.51 H new ATOM 0 HZ3 LYS X 4 -15.186 -10.003 -6.654 1.00 55.51 H new ATOM 76 N LEU X 5 -11.440 -8.882 -1.031 1.00 23.41 N ATOM 77 CA LEU X 5 -10.561 -7.796 -0.494 1.00 62.04 C ATOM 78 C LEU X 5 -9.237 -8.395 -0.014 1.00 43.34 C ATOM 79 O LEU X 5 -8.193 -7.780 -0.102 1.00 44.02 O ATOM 80 CB LEU X 5 -11.285 -7.132 0.683 1.00 62.32 C ATOM 81 CG LEU X 5 -10.946 -5.640 0.759 1.00 22.32 C ATOM 82 CD1 LEU X 5 -11.755 -5.000 1.890 1.00 51.13 C ATOM 83 CD2 LEU X 5 -9.454 -5.467 1.055 1.00 34.41 C ATOM 0 H LEU X 5 -12.317 -9.011 -0.527 1.00 23.41 H new ATOM 0 HA LEU X 5 -10.352 -7.061 -1.271 1.00 62.04 H new ATOM 0 HB2 LEU X 5 -12.362 -7.260 0.572 1.00 62.32 H new ATOM 0 HB3 LEU X 5 -11.000 -7.622 1.614 1.00 62.32 H new ATOM 0 HG LEU X 5 -11.188 -5.163 -0.191 1.00 22.32 H new ATOM 0 HD11 LEU X 5 -11.519 -3.938 1.950 1.00 51.13 H new ATOM 0 HD12 LEU X 5 -12.820 -5.124 1.691 1.00 51.13 H new ATOM 0 HD13 LEU X 5 -11.503 -5.482 2.835 1.00 51.13 H new ATOM 0 HD21 LEU X 5 -9.214 -4.405 1.109 1.00 34.41 H new ATOM 0 HD22 LEU X 5 -9.214 -5.942 2.007 1.00 34.41 H new ATOM 0 HD23 LEU X 5 -8.869 -5.931 0.261 1.00 34.41 H new ATOM 95 N ALA X 6 -9.280 -9.593 0.500 1.00 2.22 N ATOM 96 CA ALA X 6 -8.032 -10.255 0.981 1.00 51.22 C ATOM 97 C ALA X 6 -7.020 -10.398 -0.162 1.00 72.23 C ATOM 98 O ALA X 6 -5.909 -9.916 -0.080 1.00 52.14 O ATOM 99 CB ALA X 6 -8.378 -11.645 1.518 1.00 71.23 C ATOM 0 H ALA X 6 -10.130 -10.146 0.609 1.00 2.22 H new ATOM 0 HA ALA X 6 -7.591 -9.643 1.767 1.00 51.22 H new ATOM 0 HB1 ALA X 6 -7.471 -12.135 1.871 1.00 71.23 H new ATOM 0 HB2 ALA X 6 -9.084 -11.551 2.343 1.00 71.23 H new ATOM 0 HB3 ALA X 6 -8.826 -12.241 0.723 1.00 71.23 H new ATOM 105 N GLU X 7 -7.386 -11.072 -1.220 1.00 41.10 N ATOM 106 CA GLU X 7 -6.444 -11.230 -2.364 1.00 41.35 C ATOM 107 C GLU X 7 -6.004 -9.854 -2.875 1.00 43.42 C ATOM 108 O GLU X 7 -4.901 -9.683 -3.355 1.00 11.00 O ATOM 109 CB GLU X 7 -7.136 -11.991 -3.495 1.00 33.42 C ATOM 110 CG GLU X 7 -7.391 -13.438 -3.066 1.00 64.12 C ATOM 111 CD GLU X 7 -8.137 -14.180 -4.175 1.00 4.53 C ATOM 112 OE1 GLU X 7 -8.394 -13.572 -5.200 1.00 54.31 O ATOM 113 OE2 GLU X 7 -8.441 -15.346 -3.980 1.00 73.02 O ATOM 0 H GLU X 7 -8.295 -11.519 -1.340 1.00 41.10 H new ATOM 0 HA GLU X 7 -5.568 -11.786 -2.028 1.00 41.35 H new ATOM 0 HB2 GLU X 7 -8.078 -11.506 -3.749 1.00 33.42 H new ATOM 0 HB3 GLU X 7 -6.516 -11.972 -4.391 1.00 33.42 H new ATOM 0 HG2 GLU X 7 -6.445 -13.937 -2.854 1.00 64.12 H new ATOM 0 HG3 GLU X 7 -7.975 -13.457 -2.146 1.00 64.12 H new ATOM 120 N ILE X 8 -6.861 -8.872 -2.781 1.00 32.53 N ATOM 121 CA ILE X 8 -6.487 -7.504 -3.248 1.00 75.11 C ATOM 122 C ILE X 8 -5.332 -6.961 -2.398 1.00 54.43 C ATOM 123 O ILE X 8 -4.365 -6.434 -2.913 1.00 24.33 O ATOM 124 CB ILE X 8 -7.690 -6.574 -3.106 1.00 31.11 C ATOM 125 CG1 ILE X 8 -8.658 -6.799 -4.271 1.00 1.40 C ATOM 126 CG2 ILE X 8 -7.211 -5.123 -3.111 1.00 51.31 C ATOM 127 CD1 ILE X 8 -9.977 -6.074 -3.989 1.00 75.31 C ATOM 0 H ILE X 8 -7.804 -8.958 -2.401 1.00 32.53 H new ATOM 0 HA ILE X 8 -6.177 -7.555 -4.292 1.00 75.11 H new ATOM 0 HB ILE X 8 -8.203 -6.786 -2.168 1.00 31.11 H new ATOM 0 HG12 ILE X 8 -8.219 -6.430 -5.198 1.00 1.40 H new ATOM 0 HG13 ILE X 8 -8.839 -7.865 -4.406 1.00 1.40 H new ATOM 0 HG21 ILE X 8 -8.068 -4.457 -3.010 1.00 51.31 H new ATOM 0 HG22 ILE X 8 -6.526 -4.963 -2.278 1.00 51.31 H new ATOM 0 HG23 ILE X 8 -6.697 -4.913 -4.049 1.00 51.31 H new ATOM 0 HD11 ILE X 8 -10.665 -6.235 -4.819 1.00 75.31 H new ATOM 0 HD12 ILE X 8 -10.418 -6.464 -3.071 1.00 75.31 H new ATOM 0 HD13 ILE X 8 -9.788 -5.006 -3.876 1.00 75.31 H new ATOM 139 N ARG X 9 -5.427 -7.082 -1.100 1.00 10.22 N ATOM 140 CA ARG X 9 -4.346 -6.556 -0.221 1.00 52.14 C ATOM 141 C ARG X 9 -3.061 -7.368 -0.458 1.00 22.52 C ATOM 142 O ARG X 9 -1.963 -6.894 -0.227 1.00 14.14 O ATOM 143 CB ARG X 9 -4.790 -6.663 1.244 1.00 14.43 C ATOM 144 CG ARG X 9 -6.020 -5.768 1.472 1.00 41.23 C ATOM 145 CD ARG X 9 -6.137 -5.425 2.955 1.00 21.02 C ATOM 146 NE ARG X 9 -7.344 -4.567 3.194 1.00 23.31 N ATOM 147 CZ ARG X 9 -7.717 -4.297 4.420 1.00 73.25 C ATOM 148 NH1 ARG X 9 -7.175 -4.942 5.419 1.00 14.21 N ATOM 149 NH2 ARG X 9 -8.683 -3.444 4.645 1.00 51.23 N ATOM 0 H ARG X 9 -6.207 -7.523 -0.612 1.00 10.22 H new ATOM 0 HA ARG X 9 -4.148 -5.509 -0.453 1.00 52.14 H new ATOM 0 HB2 ARG X 9 -5.029 -7.698 1.488 1.00 14.43 H new ATOM 0 HB3 ARG X 9 -3.978 -6.359 1.905 1.00 14.43 H new ATOM 0 HG2 ARG X 9 -5.932 -4.855 0.883 1.00 41.23 H new ATOM 0 HG3 ARG X 9 -6.922 -6.279 1.135 1.00 41.23 H new ATOM 0 HD2 ARG X 9 -6.210 -6.340 3.543 1.00 21.02 H new ATOM 0 HD3 ARG X 9 -5.239 -4.903 3.287 1.00 21.02 H new ATOM 0 HE ARG X 9 -7.872 -4.195 2.405 1.00 23.31 H new ATOM 0 HH11 ARG X 9 -6.465 -5.652 5.242 1.00 14.21 H new ATOM 0 HH12 ARG X 9 -7.462 -4.735 6.376 1.00 14.21 H new ATOM 0 HH21 ARG X 9 -9.150 -2.985 3.863 1.00 51.23 H new ATOM 0 HH22 ARG X 9 -8.969 -3.238 5.602 1.00 51.23 H new ATOM 163 N LYS X 10 -3.186 -8.576 -0.940 1.00 74.42 N ATOM 164 CA LYS X 10 -1.977 -9.401 -1.225 1.00 44.25 C ATOM 165 C LYS X 10 -1.257 -8.792 -2.430 1.00 60.44 C ATOM 166 O LYS X 10 -0.043 -8.795 -2.509 1.00 43.15 O ATOM 167 CB LYS X 10 -2.406 -10.845 -1.534 1.00 52.12 C ATOM 168 CG LYS X 10 -2.843 -11.549 -0.240 1.00 52.31 C ATOM 169 CD LYS X 10 -3.136 -13.025 -0.532 1.00 63.24 C ATOM 170 CE LYS X 10 -3.617 -13.719 0.745 1.00 55.55 C ATOM 171 NZ LYS X 10 -3.906 -15.153 0.455 1.00 1.32 N ATOM 0 H LYS X 10 -4.076 -9.028 -1.149 1.00 74.42 H new ATOM 0 HA LYS X 10 -1.308 -9.414 -0.364 1.00 44.25 H new ATOM 0 HB2 LYS X 10 -3.226 -10.844 -2.253 1.00 52.12 H new ATOM 0 HB3 LYS X 10 -1.580 -11.389 -1.993 1.00 52.12 H new ATOM 0 HG2 LYS X 10 -2.060 -11.465 0.514 1.00 52.31 H new ATOM 0 HG3 LYS X 10 -3.731 -11.065 0.167 1.00 52.31 H new ATOM 0 HD2 LYS X 10 -3.895 -13.108 -1.310 1.00 63.24 H new ATOM 0 HD3 LYS X 10 -2.239 -13.516 -0.908 1.00 63.24 H new ATOM 0 HE2 LYS X 10 -2.857 -13.640 1.522 1.00 55.55 H new ATOM 0 HE3 LYS X 10 -4.512 -13.226 1.124 1.00 55.55 H new ATOM 0 HZ1 LYS X 10 -4.233 -15.624 1.323 1.00 1.32 H new ATOM 0 HZ2 LYS X 10 -4.646 -15.218 -0.273 1.00 1.32 H new ATOM 0 HZ3 LYS X 10 -3.042 -15.619 0.113 1.00 1.32 H new ATOM 185 N LYS X 11 -2.001 -8.252 -3.365 1.00 31.31 N ATOM 186 CA LYS X 11 -1.362 -7.607 -4.550 1.00 5.35 C ATOM 187 C LYS X 11 -0.490 -6.455 -4.051 1.00 41.13 C ATOM 188 O LYS X 11 0.628 -6.267 -4.493 1.00 14.40 O ATOM 189 CB LYS X 11 -2.444 -7.062 -5.500 1.00 45.03 C ATOM 190 CG LYS X 11 -3.353 -8.203 -5.972 1.00 21.24 C ATOM 191 CD LYS X 11 -4.014 -7.822 -7.303 1.00 30.51 C ATOM 192 CE LYS X 11 -4.964 -8.939 -7.745 1.00 11.34 C ATOM 193 NZ LYS X 11 -5.507 -8.624 -9.099 1.00 34.04 N ATOM 0 H LYS X 11 -3.021 -8.231 -3.357 1.00 31.31 H new ATOM 0 HA LYS X 11 -0.758 -8.335 -5.092 1.00 5.35 H new ATOM 0 HB2 LYS X 11 -3.036 -6.301 -4.991 1.00 45.03 H new ATOM 0 HB3 LYS X 11 -1.976 -6.580 -6.359 1.00 45.03 H new ATOM 0 HG2 LYS X 11 -2.772 -9.117 -6.092 1.00 21.24 H new ATOM 0 HG3 LYS X 11 -4.116 -8.407 -5.221 1.00 21.24 H new ATOM 0 HD2 LYS X 11 -4.563 -6.887 -7.193 1.00 30.51 H new ATOM 0 HD3 LYS X 11 -3.252 -7.657 -8.065 1.00 30.51 H new ATOM 0 HE2 LYS X 11 -4.436 -9.893 -7.766 1.00 11.34 H new ATOM 0 HE3 LYS X 11 -5.780 -9.042 -7.029 1.00 11.34 H new ATOM 0 HZ1 LYS X 11 -6.152 -9.382 -9.399 1.00 34.04 H new ATOM 0 HZ2 LYS X 11 -6.025 -7.723 -9.064 1.00 34.04 H new ATOM 0 HZ3 LYS X 11 -4.723 -8.547 -9.778 1.00 34.04 H new ATOM 207 N ILE X 12 -0.991 -5.690 -3.115 1.00 43.21 N ATOM 208 CA ILE X 12 -0.195 -4.555 -2.565 1.00 73.24 C ATOM 209 C ILE X 12 1.094 -5.115 -1.967 1.00 14.44 C ATOM 210 O ILE X 12 2.143 -4.504 -2.030 1.00 50.33 O ATOM 211 CB ILE X 12 -1.003 -3.845 -1.472 1.00 33.34 C ATOM 212 CG1 ILE X 12 -1.999 -2.864 -2.102 1.00 32.35 C ATOM 213 CG2 ILE X 12 -0.055 -3.075 -0.552 1.00 70.11 C ATOM 214 CD1 ILE X 12 -3.043 -3.634 -2.909 1.00 24.34 C ATOM 0 H ILE X 12 -1.919 -5.804 -2.708 1.00 43.21 H new ATOM 0 HA ILE X 12 0.038 -3.841 -3.355 1.00 73.24 H new ATOM 0 HB ILE X 12 -1.550 -4.593 -0.898 1.00 33.34 H new ATOM 0 HG12 ILE X 12 -2.487 -2.277 -1.324 1.00 32.35 H new ATOM 0 HG13 ILE X 12 -1.472 -2.161 -2.748 1.00 32.35 H new ATOM 0 HG21 ILE X 12 -0.631 -2.571 0.224 1.00 70.11 H new ATOM 0 HG22 ILE X 12 0.647 -3.769 -0.090 1.00 70.11 H new ATOM 0 HG23 ILE X 12 0.495 -2.335 -1.133 1.00 70.11 H new ATOM 0 HD11 ILE X 12 -3.748 -2.933 -3.355 1.00 24.34 H new ATOM 0 HD12 ILE X 12 -2.548 -4.201 -3.697 1.00 24.34 H new ATOM 0 HD13 ILE X 12 -3.579 -4.319 -2.251 1.00 24.34 H new ATOM 226 N ASP X 13 1.018 -6.285 -1.392 1.00 63.41 N ATOM 227 CA ASP X 13 2.227 -6.911 -0.788 1.00 21.14 C ATOM 228 C ASP X 13 3.312 -7.026 -1.860 1.00 62.13 C ATOM 229 O ASP X 13 4.463 -6.707 -1.631 1.00 30.12 O ATOM 230 CB ASP X 13 1.862 -8.305 -0.261 1.00 60.11 C ATOM 231 CG ASP X 13 2.957 -8.810 0.681 1.00 41.41 C ATOM 232 OD1 ASP X 13 3.186 -8.165 1.689 1.00 21.15 O ATOM 233 OD2 ASP X 13 3.549 -9.832 0.375 1.00 24.30 O ATOM 0 H ASP X 13 0.164 -6.837 -1.315 1.00 63.41 H new ATOM 0 HA ASP X 13 2.595 -6.301 0.037 1.00 21.14 H new ATOM 0 HB2 ASP X 13 0.908 -8.266 0.265 1.00 60.11 H new ATOM 0 HB3 ASP X 13 1.739 -8.997 -1.094 1.00 60.11 H new ATOM 238 N GLU X 14 2.951 -7.472 -3.034 1.00 22.41 N ATOM 239 CA GLU X 14 3.951 -7.587 -4.132 1.00 31.43 C ATOM 240 C GLU X 14 4.492 -6.195 -4.456 1.00 42.01 C ATOM 241 O GLU X 14 5.608 -6.039 -4.913 1.00 74.03 O ATOM 242 CB GLU X 14 3.280 -8.177 -5.377 1.00 74.51 C ATOM 243 CG GLU X 14 2.837 -9.617 -5.101 1.00 71.42 C ATOM 244 CD GLU X 14 4.071 -10.490 -4.857 1.00 4.10 C ATOM 245 OE1 GLU X 14 5.148 -10.085 -5.263 1.00 4.10 O ATOM 246 OE2 GLU X 14 3.918 -11.547 -4.269 1.00 40.13 O ATOM 0 H GLU X 14 2.004 -7.762 -3.279 1.00 22.41 H new ATOM 0 HA GLU X 14 4.767 -8.239 -3.821 1.00 31.43 H new ATOM 0 HB2 GLU X 14 2.419 -7.571 -5.658 1.00 74.51 H new ATOM 0 HB3 GLU X 14 3.973 -8.156 -6.218 1.00 74.51 H new ATOM 0 HG2 GLU X 14 2.179 -9.647 -4.232 1.00 71.42 H new ATOM 0 HG3 GLU X 14 2.267 -10.002 -5.946 1.00 71.42 H new ATOM 253 N ILE X 15 3.704 -5.177 -4.217 1.00 42.15 N ATOM 254 CA ILE X 15 4.165 -3.784 -4.496 1.00 70.32 C ATOM 255 C ILE X 15 4.933 -3.253 -3.282 1.00 52.54 C ATOM 256 O ILE X 15 5.907 -2.536 -3.413 1.00 64.24 O ATOM 257 CB ILE X 15 2.954 -2.878 -4.753 1.00 11.41 C ATOM 258 CG1 ILE X 15 2.432 -3.089 -6.179 1.00 53.34 C ATOM 259 CG2 ILE X 15 3.372 -1.418 -4.580 1.00 32.34 C ATOM 260 CD1 ILE X 15 1.538 -4.333 -6.216 1.00 64.11 C ATOM 0 H ILE X 15 2.759 -5.252 -3.840 1.00 42.15 H new ATOM 0 HA ILE X 15 4.810 -3.789 -5.374 1.00 70.32 H new ATOM 0 HB ILE X 15 2.165 -3.126 -4.043 1.00 11.41 H new ATOM 0 HG12 ILE X 15 1.870 -2.214 -6.505 1.00 53.34 H new ATOM 0 HG13 ILE X 15 3.267 -3.207 -6.870 1.00 53.34 H new ATOM 0 HG21 ILE X 15 2.515 -0.770 -4.762 1.00 32.34 H new ATOM 0 HG22 ILE X 15 3.736 -1.262 -3.565 1.00 32.34 H new ATOM 0 HG23 ILE X 15 4.164 -1.180 -5.290 1.00 32.34 H new ATOM 0 HD11 ILE X 15 1.166 -4.484 -7.229 1.00 64.11 H new ATOM 0 HD12 ILE X 15 2.115 -5.205 -5.907 1.00 64.11 H new ATOM 0 HD13 ILE X 15 0.696 -4.196 -5.537 1.00 64.11 H new ATOM 272 N ASP X 16 4.499 -3.602 -2.103 1.00 1.41 N ATOM 273 CA ASP X 16 5.192 -3.132 -0.871 1.00 14.24 C ATOM 274 C ASP X 16 6.670 -3.530 -0.933 1.00 21.12 C ATOM 275 O ASP X 16 7.553 -2.715 -0.748 1.00 55.21 O ATOM 276 CB ASP X 16 4.523 -3.771 0.352 1.00 11.34 C ATOM 277 CG ASP X 16 3.127 -3.174 0.554 1.00 20.42 C ATOM 278 OD1 ASP X 16 2.805 -2.221 -0.138 1.00 52.11 O ATOM 279 OD2 ASP X 16 2.407 -3.680 1.395 1.00 21.51 O ATOM 0 H ASP X 16 3.687 -4.198 -1.939 1.00 1.41 H new ATOM 0 HA ASP X 16 5.123 -2.047 -0.794 1.00 14.24 H new ATOM 0 HB2 ASP X 16 4.450 -4.850 0.215 1.00 11.34 H new ATOM 0 HB3 ASP X 16 5.132 -3.602 1.240 1.00 11.34 H new ATOM 284 N ASN X 17 6.946 -4.780 -1.181 1.00 11.55 N ATOM 285 CA ASN X 17 8.363 -5.228 -1.296 1.00 31.14 C ATOM 286 C ASN X 17 9.027 -4.533 -2.487 1.00 52.35 C ATOM 287 O ASN X 17 10.198 -4.211 -2.459 1.00 32.13 O ATOM 288 CB ASN X 17 8.399 -6.740 -1.514 1.00 44.11 C ATOM 289 CG ASN X 17 7.573 -7.434 -0.428 1.00 61.33 C ATOM 290 OD1 ASN X 17 7.503 -8.648 -0.377 1.00 45.44 O ATOM 291 ND2 ASN X 17 6.932 -6.708 0.451 1.00 64.33 N ATOM 0 H ASN X 17 6.249 -5.514 -1.310 1.00 11.55 H new ATOM 0 HA ASN X 17 8.898 -4.973 -0.381 1.00 31.14 H new ATOM 0 HB2 ASN X 17 8.003 -6.985 -2.499 1.00 44.11 H new ATOM 0 HB3 ASN X 17 9.428 -7.097 -1.487 1.00 44.11 H new ATOM 0 HD21 ASN X 17 6.375 -7.159 1.177 1.00 64.33 H new ATOM 0 HD22 ASN X 17 6.989 -5.690 0.411 1.00 64.33 H new ATOM 298 N LYS X 18 8.284 -4.321 -3.542 1.00 1.21 N ATOM 299 CA LYS X 18 8.858 -3.669 -4.760 1.00 54.12 C ATOM 300 C LYS X 18 9.386 -2.270 -4.417 1.00 65.11 C ATOM 301 O LYS X 18 10.452 -1.879 -4.849 1.00 30.41 O ATOM 302 CB LYS X 18 7.760 -3.559 -5.828 1.00 42.22 C ATOM 303 CG LYS X 18 8.341 -3.021 -7.140 1.00 44.32 C ATOM 304 CD LYS X 18 7.220 -2.925 -8.185 1.00 51.33 C ATOM 305 CE LYS X 18 7.788 -2.416 -9.515 1.00 41.30 C ATOM 306 NZ LYS X 18 6.701 -2.375 -10.537 1.00 22.15 N ATOM 0 H LYS X 18 7.298 -4.573 -3.614 1.00 1.21 H new ATOM 0 HA LYS X 18 9.686 -4.270 -5.136 1.00 54.12 H new ATOM 0 HB2 LYS X 18 7.309 -4.537 -5.997 1.00 42.22 H new ATOM 0 HB3 LYS X 18 6.967 -2.899 -5.477 1.00 42.22 H new ATOM 0 HG2 LYS X 18 8.789 -2.041 -6.978 1.00 44.32 H new ATOM 0 HG3 LYS X 18 9.133 -3.679 -7.498 1.00 44.32 H new ATOM 0 HD2 LYS X 18 6.759 -3.902 -8.327 1.00 51.33 H new ATOM 0 HD3 LYS X 18 6.439 -2.252 -7.832 1.00 51.33 H new ATOM 0 HE2 LYS X 18 8.216 -1.422 -9.383 1.00 41.30 H new ATOM 0 HE3 LYS X 18 8.594 -3.068 -9.852 1.00 41.30 H new ATOM 0 HZ1 LYS X 18 7.028 -1.846 -11.370 1.00 22.15 H new ATOM 0 HZ2 LYS X 18 6.452 -3.345 -10.818 1.00 22.15 H new ATOM 0 HZ3 LYS X 18 5.864 -1.906 -10.135 1.00 22.15 H new ATOM 320 N ILE X 19 8.650 -1.506 -3.653 1.00 64.10 N ATOM 321 CA ILE X 19 9.115 -0.131 -3.303 1.00 23.24 C ATOM 322 C ILE X 19 10.262 -0.204 -2.288 1.00 73.11 C ATOM 323 O ILE X 19 11.115 0.660 -2.243 1.00 40.50 O ATOM 324 CB ILE X 19 7.949 0.665 -2.716 1.00 73.31 C ATOM 325 CG1 ILE X 19 8.453 2.034 -2.240 1.00 71.33 C ATOM 326 CG2 ILE X 19 7.340 -0.106 -1.542 1.00 73.03 C ATOM 327 CD1 ILE X 19 8.712 2.004 -0.732 1.00 44.32 C ATOM 0 H ILE X 19 7.749 -1.774 -3.257 1.00 64.10 H new ATOM 0 HA ILE X 19 9.477 0.366 -4.203 1.00 23.24 H new ATOM 0 HB ILE X 19 7.185 0.811 -3.480 1.00 73.31 H new ATOM 0 HG12 ILE X 19 9.369 2.297 -2.769 1.00 71.33 H new ATOM 0 HG13 ILE X 19 7.717 2.803 -2.475 1.00 71.33 H new ATOM 0 HG21 ILE X 19 6.509 0.463 -1.125 1.00 73.03 H new ATOM 0 HG22 ILE X 19 6.979 -1.074 -1.890 1.00 73.03 H new ATOM 0 HG23 ILE X 19 8.098 -0.257 -0.774 1.00 73.03 H new ATOM 0 HD11 ILE X 19 9.069 2.980 -0.405 1.00 44.32 H new ATOM 0 HD12 ILE X 19 7.787 1.762 -0.209 1.00 44.32 H new ATOM 0 HD13 ILE X 19 9.464 1.248 -0.507 1.00 44.32 H new ATOM 339 N LEU X 20 10.296 -1.230 -1.482 1.00 24.32 N ATOM 340 CA LEU X 20 11.402 -1.357 -0.489 1.00 24.32 C ATOM 341 C LEU X 20 12.679 -1.796 -1.219 1.00 3.21 C ATOM 342 O LEU X 20 13.775 -1.648 -0.715 1.00 52.12 O ATOM 343 CB LEU X 20 11.040 -2.413 0.560 1.00 61.32 C ATOM 344 CG LEU X 20 9.961 -1.880 1.510 1.00 52.11 C ATOM 345 CD1 LEU X 20 9.477 -3.020 2.406 1.00 42.33 C ATOM 346 CD2 LEU X 20 10.539 -0.765 2.387 1.00 1.53 C ATOM 0 H LEU X 20 9.609 -1.984 -1.467 1.00 24.32 H new ATOM 0 HA LEU X 20 11.559 -0.397 0.003 1.00 24.32 H new ATOM 0 HB2 LEU X 20 10.684 -3.317 0.066 1.00 61.32 H new ATOM 0 HB3 LEU X 20 11.928 -2.689 1.128 1.00 61.32 H new ATOM 0 HG LEU X 20 9.131 -1.483 0.925 1.00 52.11 H new ATOM 0 HD11 LEU X 20 8.709 -2.648 3.085 1.00 42.33 H new ATOM 0 HD12 LEU X 20 9.061 -3.816 1.789 1.00 42.33 H new ATOM 0 HD13 LEU X 20 10.315 -3.409 2.984 1.00 42.33 H new ATOM 0 HD21 LEU X 20 9.766 -0.392 3.059 1.00 1.53 H new ATOM 0 HD22 LEU X 20 11.370 -1.157 2.973 1.00 1.53 H new ATOM 0 HD23 LEU X 20 10.893 0.049 1.754 1.00 1.53 H new ATOM 358 N LYS X 21 12.542 -2.340 -2.401 1.00 51.41 N ATOM 359 CA LYS X 21 13.746 -2.793 -3.162 1.00 23.32 C ATOM 360 C LYS X 21 14.379 -1.595 -3.873 1.00 41.24 C ATOM 361 O LYS X 21 13.705 -0.822 -4.526 1.00 12.12 O ATOM 362 CB LYS X 21 13.333 -3.844 -4.199 1.00 1.20 C ATOM 363 CG LYS X 21 14.580 -4.432 -4.875 1.00 45.32 C ATOM 364 CD LYS X 21 14.172 -5.576 -5.806 1.00 53.01 C ATOM 365 CE LYS X 21 13.558 -5.006 -7.089 1.00 14.11 C ATOM 366 NZ LYS X 21 13.461 -6.080 -8.119 1.00 3.33 N ATOM 0 H LYS X 21 11.650 -2.490 -2.872 1.00 51.41 H new ATOM 0 HA LYS X 21 14.468 -3.230 -2.472 1.00 23.32 H new ATOM 0 HB2 LYS X 21 12.762 -4.638 -3.717 1.00 1.20 H new ATOM 0 HB3 LYS X 21 12.682 -3.392 -4.948 1.00 1.20 H new ATOM 0 HG2 LYS X 21 15.098 -3.657 -5.440 1.00 45.32 H new ATOM 0 HG3 LYS X 21 15.277 -4.796 -4.120 1.00 45.32 H new ATOM 0 HD2 LYS X 21 15.041 -6.188 -6.048 1.00 53.01 H new ATOM 0 HD3 LYS X 21 13.454 -6.226 -5.306 1.00 53.01 H new ATOM 0 HE2 LYS X 21 12.569 -4.598 -6.880 1.00 14.11 H new ATOM 0 HE3 LYS X 21 14.169 -4.184 -7.463 1.00 14.11 H new ATOM 0 HZ1 LYS X 21 13.044 -5.690 -8.989 1.00 3.33 H new ATOM 0 HZ2 LYS X 21 14.411 -6.449 -8.326 1.00 3.33 H new ATOM 0 HZ3 LYS X 21 12.860 -6.850 -7.762 1.00 3.33 H new ATOM 380 N ALA X 22 15.666 -1.429 -3.749 1.00 31.54 N ATOM 381 CA ALA X 22 16.340 -0.278 -4.417 1.00 64.32 C ATOM 382 C ALA X 22 17.696 -0.715 -4.982 1.00 54.30 C ATOM 383 O ALA X 22 18.702 -0.064 -4.784 1.00 74.30 O ATOM 384 CB ALA X 22 16.542 0.849 -3.399 1.00 53.22 C ATOM 0 H ALA X 22 16.282 -2.041 -3.214 1.00 31.54 H new ATOM 0 HA ALA X 22 15.717 0.076 -5.238 1.00 64.32 H new ATOM 0 HB1 ALA X 22 17.034 1.692 -3.883 1.00 53.22 H new ATOM 0 HB2 ALA X 22 15.574 1.167 -3.012 1.00 53.22 H new ATOM 0 HB3 ALA X 22 17.161 0.490 -2.577 1.00 53.22 H new ATOM 390 N ARG X 23 17.730 -1.813 -5.689 1.00 53.34 N ATOM 391 CA ARG X 23 19.018 -2.289 -6.275 1.00 5.01 C ATOM 392 C ARG X 23 19.503 -1.291 -7.338 1.00 70.42 C ATOM 393 O ARG X 23 20.678 -0.994 -7.435 1.00 73.32 O ATOM 394 CB ARG X 23 18.811 -3.678 -6.909 1.00 23.53 C ATOM 395 CG ARG X 23 18.606 -4.731 -5.806 1.00 11.32 C ATOM 396 CD ARG X 23 18.372 -6.121 -6.435 1.00 32.35 C ATOM 397 NE ARG X 23 18.143 -7.129 -5.350 1.00 24.14 N ATOM 398 CZ ARG X 23 19.095 -7.410 -4.489 1.00 23.13 C ATOM 399 NH1 ARG X 23 20.277 -6.880 -4.626 1.00 3.14 N ATOM 400 NH2 ARG X 23 18.866 -8.230 -3.494 1.00 50.41 N ATOM 0 H ARG X 23 16.921 -2.402 -5.887 1.00 53.34 H new ATOM 0 HA ARG X 23 19.771 -2.363 -5.490 1.00 5.01 H new ATOM 0 HB2 ARG X 23 17.946 -3.660 -7.572 1.00 23.53 H new ATOM 0 HB3 ARG X 23 19.675 -3.941 -7.519 1.00 23.53 H new ATOM 0 HG2 ARG X 23 19.479 -4.761 -5.154 1.00 11.32 H new ATOM 0 HG3 ARG X 23 17.754 -4.457 -5.185 1.00 11.32 H new ATOM 0 HD2 ARG X 23 17.512 -6.089 -7.104 1.00 32.35 H new ATOM 0 HD3 ARG X 23 19.234 -6.409 -7.037 1.00 32.35 H new ATOM 0 HE ARG X 23 17.241 -7.601 -5.279 1.00 24.14 H new ATOM 0 HH11 ARG X 23 20.465 -6.246 -5.403 1.00 3.14 H new ATOM 0 HH12 ARG X 23 21.015 -7.099 -3.957 1.00 3.14 H new ATOM 0 HH21 ARG X 23 17.945 -8.654 -3.384 1.00 50.41 H new ATOM 0 HH22 ARG X 23 19.609 -8.445 -2.829 1.00 50.41 H new ATOM 414 N TRP X 24 18.604 -0.778 -8.141 1.00 72.12 N ATOM 415 CA TRP X 24 19.007 0.193 -9.202 1.00 10.13 C ATOM 416 C TRP X 24 18.700 1.620 -8.739 1.00 14.10 C ATOM 417 O TRP X 24 17.635 1.891 -8.223 1.00 12.03 O ATOM 418 CB TRP X 24 18.233 -0.098 -10.492 1.00 63.50 C ATOM 419 CG TRP X 24 18.713 0.786 -11.605 1.00 41.34 C ATOM 420 CD1 TRP X 24 18.076 1.894 -12.055 1.00 24.24 C ATOM 421 CD2 TRP X 24 19.930 0.665 -12.397 1.00 45.10 C ATOM 422 NE1 TRP X 24 18.827 2.458 -13.074 1.00 2.31 N ATOM 423 CE2 TRP X 24 19.977 1.734 -13.323 1.00 12.53 C ATOM 424 CE3 TRP X 24 20.984 -0.265 -12.404 1.00 42.32 C ATOM 425 CZ2 TRP X 24 21.040 1.880 -14.219 1.00 1.00 C ATOM 426 CZ3 TRP X 24 22.053 -0.123 -13.303 1.00 41.52 C ATOM 427 CH2 TRP X 24 22.079 0.946 -14.210 1.00 63.21 C ATOM 0 H TRP X 24 17.607 -0.991 -8.107 1.00 72.12 H new ATOM 0 HA TRP X 24 20.076 0.092 -9.389 1.00 10.13 H new ATOM 0 HB2 TRP X 24 18.360 -1.144 -10.771 1.00 63.50 H new ATOM 0 HB3 TRP X 24 17.167 0.061 -10.327 1.00 63.50 H new ATOM 0 HD1 TRP X 24 17.137 2.275 -11.681 1.00 24.24 H new ATOM 0 HE1 TRP X 24 18.563 3.304 -13.579 1.00 2.31 H new ATOM 0 HE3 TRP X 24 20.971 -1.095 -11.713 1.00 42.32 H new ATOM 0 HZ2 TRP X 24 21.058 2.708 -14.912 1.00 1.00 H new ATOM 0 HZ3 TRP X 24 22.860 -0.841 -13.296 1.00 41.52 H new ATOM 0 HH2 TRP X 24 22.902 1.047 -14.902 1.00 63.21 H new ATOM 438 N PRO X 25 19.637 2.520 -8.900 1.00 33.11 N ATOM 439 CA PRO X 25 19.464 3.952 -8.506 1.00 62.14 C ATOM 440 C PRO X 25 18.184 4.569 -9.069 1.00 0.42 C ATOM 441 O PRO X 25 17.770 4.269 -10.169 1.00 5.34 O ATOM 442 CB PRO X 25 20.694 4.646 -9.098 1.00 30.53 C ATOM 443 CG PRO X 25 21.746 3.589 -9.128 1.00 35.14 C ATOM 444 CD PRO X 25 21.013 2.285 -9.446 1.00 5.53 C ATOM 0 HA PRO X 25 19.378 4.059 -7.425 1.00 62.14 H new ATOM 0 HB2 PRO X 25 20.490 5.030 -10.097 1.00 30.53 H new ATOM 0 HB3 PRO X 25 21.002 5.495 -8.487 1.00 30.53 H new ATOM 0 HG2 PRO X 25 22.500 3.809 -9.884 1.00 35.14 H new ATOM 0 HG3 PRO X 25 22.263 3.524 -8.171 1.00 35.14 H new ATOM 0 HD2 PRO X 25 20.992 2.087 -10.518 1.00 5.53 H new ATOM 0 HD3 PRO X 25 21.493 1.428 -8.973 1.00 5.53 H new ATOM 452 N TRP X 26 17.553 5.434 -8.319 1.00 41.23 N ATOM 453 CA TRP X 26 16.299 6.073 -8.811 1.00 64.54 C ATOM 454 C TRP X 26 15.299 4.986 -9.208 1.00 15.24 C ATOM 455 O TRP X 26 15.229 4.583 -10.353 1.00 71.20 O ATOM 456 CB TRP X 26 16.611 6.946 -10.029 1.00 42.25 C ATOM 457 CG TRP X 26 15.406 7.757 -10.379 1.00 73.43 C ATOM 458 CD1 TRP X 26 14.522 7.453 -11.357 1.00 23.34 C ATOM 459 CD2 TRP X 26 14.938 8.995 -9.773 1.00 31.55 C ATOM 460 NE1 TRP X 26 13.541 8.429 -11.390 1.00 34.31 N ATOM 461 CE2 TRP X 26 13.754 9.402 -10.432 1.00 12.41 C ATOM 462 CE3 TRP X 26 15.424 9.797 -8.726 1.00 12.31 C ATOM 463 CZ2 TRP X 26 13.076 10.563 -10.064 1.00 61.04 C ATOM 464 CZ3 TRP X 26 14.744 10.968 -8.353 1.00 31.33 C ATOM 465 CH2 TRP X 26 13.572 11.350 -9.021 1.00 33.04 C ATOM 0 H TRP X 26 17.852 5.725 -7.388 1.00 41.23 H new ATOM 0 HA TRP X 26 15.873 6.692 -8.022 1.00 64.54 H new ATOM 0 HB2 TRP X 26 17.455 7.602 -9.814 1.00 42.25 H new ATOM 0 HB3 TRP X 26 16.900 6.321 -10.874 1.00 42.25 H new ATOM 0 HD1 TRP X 26 14.573 6.591 -12.005 1.00 23.34 H new ATOM 0 HE1 TRP X 26 12.757 8.430 -12.042 1.00 34.31 H new ATOM 0 HE3 TRP X 26 16.326 9.511 -8.205 1.00 12.31 H new ATOM 0 HZ2 TRP X 26 12.173 10.852 -10.581 1.00 61.04 H new ATOM 0 HZ3 TRP X 26 15.126 11.577 -7.547 1.00 31.33 H new ATOM 0 HH2 TRP X 26 13.053 12.251 -8.730 1.00 33.04 H new ATOM 476 N ALA X 27 14.525 4.503 -8.274 1.00 44.14 N ATOM 477 CA ALA X 27 13.536 3.441 -8.605 1.00 11.02 C ATOM 478 C ALA X 27 12.311 4.067 -9.274 1.00 24.13 C ATOM 479 O ALA X 27 11.217 3.541 -9.212 1.00 21.31 O ATOM 480 CB ALA X 27 13.111 2.727 -7.320 1.00 4.41 C ATOM 0 H ALA X 27 14.536 4.798 -7.298 1.00 44.14 H new ATOM 0 HA ALA X 27 13.989 2.723 -9.289 1.00 11.02 H new ATOM 0 HB1 ALA X 27 12.387 1.948 -7.559 1.00 4.41 H new ATOM 0 HB2 ALA X 27 13.984 2.277 -6.848 1.00 4.41 H new ATOM 0 HB3 ALA X 27 12.659 3.446 -6.637 1.00 4.41 H new ATOM 486 N GLU X 28 12.489 5.188 -9.918 1.00 53.10 N ATOM 487 CA GLU X 28 11.343 5.859 -10.598 1.00 44.13 C ATOM 488 C GLU X 28 10.194 6.009 -9.601 1.00 60.03 C ATOM 489 O GLU X 28 10.291 5.608 -8.457 1.00 42.45 O ATOM 490 CB GLU X 28 10.885 5.010 -11.787 1.00 2.13 C ATOM 491 CG GLU X 28 11.999 4.947 -12.834 1.00 13.34 C ATOM 492 CD GLU X 28 12.234 6.344 -13.414 1.00 63.53 C ATOM 493 OE1 GLU X 28 11.345 7.171 -13.297 1.00 60.30 O ATOM 494 OE2 GLU X 28 13.300 6.563 -13.965 1.00 11.13 O ATOM 0 H GLU X 28 13.383 5.671 -10.003 1.00 53.10 H new ATOM 0 HA GLU X 28 11.649 6.841 -10.957 1.00 44.13 H new ATOM 0 HB2 GLU X 28 10.630 4.005 -11.452 1.00 2.13 H new ATOM 0 HB3 GLU X 28 9.984 5.438 -12.226 1.00 2.13 H new ATOM 0 HG2 GLU X 28 12.917 4.570 -12.382 1.00 13.34 H new ATOM 0 HG3 GLU X 28 11.727 4.253 -13.629 1.00 13.34 H new ATOM 501 N LYS X 29 9.100 6.576 -10.033 1.00 72.12 N ATOM 502 CA LYS X 29 7.938 6.753 -9.118 1.00 1.31 C ATOM 503 C LYS X 29 6.923 5.634 -9.367 1.00 42.44 C ATOM 504 O LYS X 29 6.679 5.246 -10.492 1.00 63.31 O ATOM 505 CB LYS X 29 7.280 8.116 -9.375 1.00 11.04 C ATOM 506 CG LYS X 29 8.316 9.232 -9.210 1.00 4.11 C ATOM 507 CD LYS X 29 8.520 9.526 -7.721 1.00 45.44 C ATOM 508 CE LYS X 29 9.479 10.707 -7.553 1.00 1.23 C ATOM 509 NZ LYS X 29 8.839 11.951 -8.061 1.00 25.11 N ATOM 0 H LYS X 29 8.962 6.924 -10.982 1.00 72.12 H new ATOM 0 HA LYS X 29 8.279 6.711 -8.084 1.00 1.31 H new ATOM 0 HB2 LYS X 29 6.860 8.143 -10.380 1.00 11.04 H new ATOM 0 HB3 LYS X 29 6.454 8.268 -8.680 1.00 11.04 H new ATOM 0 HG2 LYS X 29 9.261 8.935 -9.665 1.00 4.11 H new ATOM 0 HG3 LYS X 29 7.982 10.132 -9.726 1.00 4.11 H new ATOM 0 HD2 LYS X 29 7.563 9.753 -7.251 1.00 45.44 H new ATOM 0 HD3 LYS X 29 8.921 8.646 -7.219 1.00 45.44 H new ATOM 0 HE2 LYS X 29 9.744 10.826 -6.502 1.00 1.23 H new ATOM 0 HE3 LYS X 29 10.405 10.516 -8.095 1.00 1.23 H new ATOM 0 HZ1 LYS X 29 9.308 12.779 -7.641 1.00 25.11 H new ATOM 0 HZ2 LYS X 29 8.929 11.990 -9.096 1.00 25.11 H new ATOM 0 HZ3 LYS X 29 7.832 11.955 -7.801 1.00 25.11 H new ATOM 523 N LEU X 30 6.324 5.115 -8.327 1.00 33.14 N ATOM 524 CA LEU X 30 5.322 4.029 -8.514 1.00 43.23 C ATOM 525 C LEU X 30 4.238 4.151 -7.438 1.00 4.24 C ATOM 526 O LEU X 30 4.491 3.956 -6.266 1.00 34.44 O ATOM 527 CB LEU X 30 6.011 2.658 -8.423 1.00 65.34 C ATOM 528 CG LEU X 30 4.971 1.535 -8.470 1.00 1.10 C ATOM 529 CD1 LEU X 30 4.148 1.654 -9.753 1.00 41.00 C ATOM 530 CD2 LEU X 30 5.685 0.178 -8.461 1.00 35.33 C ATOM 0 H LEU X 30 6.486 5.396 -7.360 1.00 33.14 H new ATOM 0 HA LEU X 30 4.863 4.121 -9.498 1.00 43.23 H new ATOM 0 HB2 LEU X 30 6.717 2.543 -9.245 1.00 65.34 H new ATOM 0 HB3 LEU X 30 6.585 2.593 -7.499 1.00 65.34 H new ATOM 0 HG LEU X 30 4.316 1.615 -7.603 1.00 1.10 H new ATOM 0 HD11 LEU X 30 3.408 0.854 -9.786 1.00 41.00 H new ATOM 0 HD12 LEU X 30 3.641 2.619 -9.772 1.00 41.00 H new ATOM 0 HD13 LEU X 30 4.808 1.574 -10.617 1.00 41.00 H new ATOM 0 HD21 LEU X 30 4.946 -0.622 -8.494 1.00 35.33 H new ATOM 0 HD22 LEU X 30 6.338 0.105 -9.330 1.00 35.33 H new ATOM 0 HD23 LEU X 30 6.279 0.085 -7.552 1.00 35.33 H new ATOM 542 N ILE X 31 3.030 4.458 -7.830 1.00 13.34 N ATOM 543 CA ILE X 31 1.931 4.584 -6.828 1.00 64.14 C ATOM 544 C ILE X 31 0.595 4.225 -7.491 1.00 64.54 C ATOM 545 O ILE X 31 -0.418 4.086 -6.835 1.00 62.20 O ATOM 546 CB ILE X 31 1.867 6.026 -6.311 1.00 44.23 C ATOM 547 CG1 ILE X 31 1.706 6.985 -7.494 1.00 61.44 C ATOM 548 CG2 ILE X 31 3.159 6.354 -5.560 1.00 71.52 C ATOM 549 CD1 ILE X 31 1.503 8.414 -6.978 1.00 54.55 C ATOM 0 H ILE X 31 2.757 4.627 -8.798 1.00 13.34 H new ATOM 0 HA ILE X 31 2.123 3.908 -5.995 1.00 64.14 H new ATOM 0 HB ILE X 31 1.017 6.135 -5.637 1.00 44.23 H new ATOM 0 HG12 ILE X 31 2.588 6.941 -8.133 1.00 61.44 H new ATOM 0 HG13 ILE X 31 0.855 6.684 -8.105 1.00 61.44 H new ATOM 0 HG21 ILE X 31 3.116 7.379 -5.192 1.00 71.52 H new ATOM 0 HG22 ILE X 31 3.274 5.671 -4.719 1.00 71.52 H new ATOM 0 HG23 ILE X 31 4.009 6.246 -6.234 1.00 71.52 H new ATOM 0 HD11 ILE X 31 1.389 9.093 -7.823 1.00 54.55 H new ATOM 0 HD12 ILE X 31 0.608 8.453 -6.358 1.00 54.55 H new ATOM 0 HD13 ILE X 31 2.368 8.713 -6.386 1.00 54.55 H new ATOM 561 N ALA X 32 0.587 4.079 -8.788 1.00 11.53 N ATOM 562 CA ALA X 32 -0.679 3.742 -9.500 1.00 65.33 C ATOM 563 C ALA X 32 -1.208 2.390 -9.006 1.00 53.52 C ATOM 564 O ALA X 32 -2.359 2.262 -8.636 1.00 50.42 O ATOM 565 CB ALA X 32 -0.405 3.662 -11.003 1.00 32.50 C ATOM 0 H ALA X 32 1.406 4.179 -9.388 1.00 11.53 H new ATOM 0 HA ALA X 32 -1.423 4.513 -9.301 1.00 65.33 H new ATOM 0 HB1 ALA X 32 -1.328 3.416 -11.528 1.00 32.50 H new ATOM 0 HB2 ALA X 32 -0.032 4.623 -11.356 1.00 32.50 H new ATOM 0 HB3 ALA X 32 0.340 2.890 -11.196 1.00 32.50 H new ATOM 571 N GLU X 33 -0.379 1.383 -8.999 1.00 12.14 N ATOM 572 CA GLU X 33 -0.836 0.039 -8.543 1.00 34.15 C ATOM 573 C GLU X 33 -1.486 0.166 -7.160 1.00 20.35 C ATOM 574 O GLU X 33 -2.549 -0.367 -6.913 1.00 1.03 O ATOM 575 CB GLU X 33 0.366 -0.907 -8.461 1.00 61.15 C ATOM 576 CG GLU X 33 0.937 -1.149 -9.862 1.00 23.50 C ATOM 577 CD GLU X 33 -0.093 -1.891 -10.716 1.00 42.02 C ATOM 578 OE1 GLU X 33 -0.987 -2.492 -10.145 1.00 2.42 O ATOM 579 OE2 GLU X 33 0.031 -1.844 -11.929 1.00 62.24 O ATOM 0 H GLU X 33 0.597 1.433 -9.290 1.00 12.14 H new ATOM 0 HA GLU X 33 -1.563 -0.360 -9.250 1.00 34.15 H new ATOM 0 HB2 GLU X 33 1.133 -0.479 -7.815 1.00 61.15 H new ATOM 0 HB3 GLU X 33 0.064 -1.854 -8.013 1.00 61.15 H new ATOM 0 HG2 GLU X 33 1.195 -0.199 -10.330 1.00 23.50 H new ATOM 0 HG3 GLU X 33 1.856 -1.731 -9.795 1.00 23.50 H new ATOM 586 N ARG X 34 -0.856 0.870 -6.256 1.00 72.02 N ATOM 587 CA ARG X 34 -1.445 1.040 -4.894 1.00 40.04 C ATOM 588 C ARG X 34 -2.780 1.763 -5.011 1.00 13.35 C ATOM 589 O ARG X 34 -3.762 1.382 -4.408 1.00 44.33 O ATOM 590 CB ARG X 34 -0.485 1.866 -4.020 1.00 64.13 C ATOM 591 CG ARG X 34 0.606 0.971 -3.406 1.00 70.43 C ATOM 592 CD ARG X 34 0.111 0.416 -2.086 1.00 31.35 C ATOM 593 NE ARG X 34 -0.053 1.504 -1.051 1.00 20.42 N ATOM 594 CZ ARG X 34 -0.730 1.227 0.015 1.00 54.30 C ATOM 595 NH1 ARG X 34 -1.226 0.030 0.158 1.00 52.41 N ATOM 596 NH2 ARG X 34 -0.903 2.126 0.947 1.00 45.20 N ATOM 0 H ARG X 34 0.040 1.334 -6.402 1.00 72.02 H new ATOM 0 HA ARG X 34 -1.599 0.063 -4.436 1.00 40.04 H new ATOM 0 HB2 ARG X 34 -0.023 2.649 -4.621 1.00 64.13 H new ATOM 0 HB3 ARG X 34 -1.044 2.361 -3.226 1.00 64.13 H new ATOM 0 HG2 ARG X 34 0.851 0.156 -4.088 1.00 70.43 H new ATOM 0 HG3 ARG X 34 1.520 1.545 -3.253 1.00 70.43 H new ATOM 0 HD2 ARG X 34 -0.843 -0.089 -2.238 1.00 31.35 H new ATOM 0 HD3 ARG X 34 0.813 -0.333 -1.719 1.00 31.35 H new ATOM 0 HE ARG X 34 0.357 2.428 -1.189 1.00 20.42 H new ATOM 0 HH11 ARG X 34 -1.078 -0.673 -0.566 1.00 52.41 H new ATOM 0 HH12 ARG X 34 -1.762 -0.203 0.994 1.00 52.41 H new ATOM 0 HH21 ARG X 34 -0.502 3.058 0.838 1.00 45.20 H new ATOM 0 HH22 ARG X 34 -1.439 1.896 1.784 1.00 45.20 H new ATOM 610 N ASN X 35 -2.826 2.810 -5.788 1.00 61.23 N ATOM 611 CA ASN X 35 -4.099 3.557 -5.947 1.00 0.11 C ATOM 612 C ASN X 35 -5.122 2.666 -6.664 1.00 14.32 C ATOM 613 O ASN X 35 -6.283 2.613 -6.303 1.00 55.04 O ATOM 614 CB ASN X 35 -3.853 4.825 -6.770 1.00 42.43 C ATOM 615 CG ASN X 35 -5.175 5.563 -6.970 1.00 15.21 C ATOM 616 OD1 ASN X 35 -6.186 4.957 -7.273 1.00 72.22 O ATOM 617 ND2 ASN X 35 -5.210 6.857 -6.822 1.00 2.04 N ATOM 0 H ASN X 35 -2.036 3.178 -6.318 1.00 61.23 H new ATOM 0 HA ASN X 35 -4.483 3.837 -4.966 1.00 0.11 H new ATOM 0 HB2 ASN X 35 -3.137 5.470 -6.260 1.00 42.43 H new ATOM 0 HB3 ASN X 35 -3.418 4.567 -7.736 1.00 42.43 H new ATOM 0 HD21 ASN X 35 -6.085 7.363 -6.960 1.00 2.04 H new ATOM 0 HD22 ASN X 35 -4.362 7.364 -6.568 1.00 2.04 H new ATOM 624 N SER X 36 -4.698 1.956 -7.676 1.00 55.10 N ATOM 625 CA SER X 36 -5.646 1.078 -8.423 1.00 1.15 C ATOM 626 C SER X 36 -6.500 0.297 -7.420 1.00 53.53 C ATOM 627 O SER X 36 -7.630 0.648 -7.144 1.00 51.50 O ATOM 628 CB SER X 36 -4.850 0.097 -9.280 1.00 73.03 C ATOM 629 OG SER X 36 -4.173 -0.825 -8.436 1.00 70.44 O ATOM 0 H SER X 36 -3.737 1.946 -8.017 1.00 55.10 H new ATOM 0 HA SER X 36 -6.289 1.684 -9.061 1.00 1.15 H new ATOM 0 HB2 SER X 36 -5.517 -0.436 -9.958 1.00 73.03 H new ATOM 0 HB3 SER X 36 -4.132 0.636 -9.898 1.00 73.03 H new ATOM 0 HG SER X 36 -3.617 -0.335 -7.796 1.00 70.44 H new ATOM 635 N LEU X 37 -5.963 -0.762 -6.871 1.00 22.01 N ATOM 636 CA LEU X 37 -6.735 -1.564 -5.876 1.00 1.22 C ATOM 637 C LEU X 37 -7.507 -0.618 -4.947 1.00 10.02 C ATOM 638 O LEU X 37 -8.662 -0.832 -4.640 1.00 14.53 O ATOM 639 CB LEU X 37 -5.779 -2.397 -5.014 1.00 40.04 C ATOM 640 CG LEU X 37 -5.259 -3.630 -5.772 1.00 2.42 C ATOM 641 CD1 LEU X 37 -6.422 -4.489 -6.271 1.00 53.04 C ATOM 642 CD2 LEU X 37 -4.405 -3.184 -6.961 1.00 2.43 C ATOM 0 H LEU X 37 -5.023 -1.106 -7.069 1.00 22.01 H new ATOM 0 HA LEU X 37 -7.419 -2.220 -6.414 1.00 1.22 H new ATOM 0 HB2 LEU X 37 -4.937 -1.779 -4.703 1.00 40.04 H new ATOM 0 HB3 LEU X 37 -6.292 -2.717 -4.107 1.00 40.04 H new ATOM 0 HG LEU X 37 -4.654 -4.225 -5.088 1.00 2.42 H new ATOM 0 HD11 LEU X 37 -6.032 -5.356 -6.804 1.00 53.04 H new ATOM 0 HD12 LEU X 37 -7.018 -4.824 -5.422 1.00 53.04 H new ATOM 0 HD13 LEU X 37 -7.047 -3.901 -6.943 1.00 53.04 H new ATOM 0 HD21 LEU X 37 -4.039 -4.061 -7.495 1.00 2.43 H new ATOM 0 HD22 LEU X 37 -5.008 -2.575 -7.634 1.00 2.43 H new ATOM 0 HD23 LEU X 37 -3.559 -2.598 -6.602 1.00 2.43 H new ATOM 654 N ALA X 38 -6.859 0.416 -4.479 1.00 52.33 N ATOM 655 CA ALA X 38 -7.522 1.367 -3.534 1.00 55.24 C ATOM 656 C ALA X 38 -8.958 1.661 -3.979 1.00 43.21 C ATOM 657 O ALA X 38 -9.880 1.636 -3.189 1.00 2.41 O ATOM 658 CB ALA X 38 -6.735 2.677 -3.499 1.00 2.34 C ATOM 0 H ALA X 38 -5.893 0.645 -4.711 1.00 52.33 H new ATOM 0 HA ALA X 38 -7.545 0.912 -2.544 1.00 55.24 H new ATOM 0 HB1 ALA X 38 -7.216 3.372 -2.811 1.00 2.34 H new ATOM 0 HB2 ALA X 38 -5.717 2.481 -3.164 1.00 2.34 H new ATOM 0 HB3 ALA X 38 -6.710 3.113 -4.497 1.00 2.34 H new ATOM 664 N LYS X 39 -9.150 1.955 -5.234 1.00 51.35 N ATOM 665 CA LYS X 39 -10.528 2.223 -5.739 1.00 14.11 C ATOM 666 C LYS X 39 -11.380 0.951 -5.646 1.00 15.30 C ATOM 667 O LYS X 39 -12.486 0.970 -5.144 1.00 51.01 O ATOM 668 CB LYS X 39 -10.444 2.679 -7.197 1.00 14.03 C ATOM 669 CG LYS X 39 -11.858 2.831 -7.771 1.00 21.04 C ATOM 670 CD LYS X 39 -12.370 1.470 -8.249 1.00 32.12 C ATOM 671 CE LYS X 39 -12.924 1.595 -9.671 1.00 71.54 C ATOM 672 NZ LYS X 39 -13.612 0.329 -10.056 1.00 22.11 N ATOM 0 H LYS X 39 -8.412 2.022 -5.934 1.00 51.35 H new ATOM 0 HA LYS X 39 -10.991 3.001 -5.133 1.00 14.11 H new ATOM 0 HB2 LYS X 39 -9.910 3.627 -7.262 1.00 14.03 H new ATOM 0 HB3 LYS X 39 -9.879 1.955 -7.783 1.00 14.03 H new ATOM 0 HG2 LYS X 39 -12.527 3.236 -7.012 1.00 21.04 H new ATOM 0 HG3 LYS X 39 -11.850 3.539 -8.600 1.00 21.04 H new ATOM 0 HD2 LYS X 39 -11.562 0.739 -8.227 1.00 32.12 H new ATOM 0 HD3 LYS X 39 -13.147 1.107 -7.577 1.00 32.12 H new ATOM 0 HE2 LYS X 39 -13.621 2.431 -9.728 1.00 71.54 H new ATOM 0 HE3 LYS X 39 -12.115 1.807 -10.370 1.00 71.54 H new ATOM 0 HZ1 LYS X 39 -13.655 0.259 -11.093 1.00 22.11 H new ATOM 0 HZ2 LYS X 39 -13.084 -0.482 -9.676 1.00 22.11 H new ATOM 0 HZ3 LYS X 39 -14.577 0.327 -9.668 1.00 22.11 H new ATOM 686 N ASP X 40 -10.875 -0.151 -6.125 1.00 34.42 N ATOM 687 CA ASP X 40 -11.656 -1.417 -6.065 1.00 32.52 C ATOM 688 C ASP X 40 -11.924 -1.782 -4.602 1.00 14.00 C ATOM 689 O ASP X 40 -12.988 -2.261 -4.258 1.00 34.33 O ATOM 690 CB ASP X 40 -10.849 -2.531 -6.739 1.00 53.03 C ATOM 691 CG ASP X 40 -10.868 -2.332 -8.256 1.00 55.24 C ATOM 692 OD1 ASP X 40 -11.634 -1.499 -8.715 1.00 2.04 O ATOM 693 OD2 ASP X 40 -10.117 -3.013 -8.934 1.00 35.04 O ATOM 0 H ASP X 40 -9.954 -0.230 -6.556 1.00 34.42 H new ATOM 0 HA ASP X 40 -12.608 -1.292 -6.581 1.00 32.52 H new ATOM 0 HB2 ASP X 40 -9.822 -2.522 -6.374 1.00 53.03 H new ATOM 0 HB3 ASP X 40 -11.270 -3.504 -6.484 1.00 53.03 H new ATOM 698 N VAL X 41 -10.971 -1.558 -3.740 1.00 65.22 N ATOM 699 CA VAL X 41 -11.169 -1.890 -2.301 1.00 12.21 C ATOM 700 C VAL X 41 -12.333 -1.063 -1.758 1.00 5.34 C ATOM 701 O VAL X 41 -13.204 -1.566 -1.075 1.00 13.04 O ATOM 702 CB VAL X 41 -9.895 -1.557 -1.522 1.00 0.52 C ATOM 703 CG1 VAL X 41 -10.154 -1.718 -0.023 1.00 52.23 C ATOM 704 CG2 VAL X 41 -8.768 -2.505 -1.947 1.00 21.13 C ATOM 0 H VAL X 41 -10.061 -1.158 -3.971 1.00 65.22 H new ATOM 0 HA VAL X 41 -11.389 -2.952 -2.192 1.00 12.21 H new ATOM 0 HB VAL X 41 -9.603 -0.528 -1.733 1.00 0.52 H new ATOM 0 HG11 VAL X 41 -9.246 -1.481 0.531 1.00 52.23 H new ATOM 0 HG12 VAL X 41 -10.953 -1.042 0.283 1.00 52.23 H new ATOM 0 HG13 VAL X 41 -10.449 -2.746 0.187 1.00 52.23 H new ATOM 0 HG21 VAL X 41 -7.862 -2.265 -1.391 1.00 21.13 H new ATOM 0 HG22 VAL X 41 -9.060 -3.534 -1.739 1.00 21.13 H new ATOM 0 HG23 VAL X 41 -8.579 -2.390 -3.014 1.00 21.13 H new ATOM 714 N ALA X 42 -12.352 0.205 -2.063 1.00 4.32 N ATOM 715 CA ALA X 42 -13.447 1.081 -1.559 1.00 54.02 C ATOM 716 C ALA X 42 -14.794 0.433 -1.888 1.00 54.21 C ATOM 717 O ALA X 42 -15.690 0.382 -1.067 1.00 22.44 O ATOM 718 CB ALA X 42 -13.353 2.450 -2.236 1.00 4.44 C ATOM 0 H ALA X 42 -11.654 0.674 -2.641 1.00 4.32 H new ATOM 0 HA ALA X 42 -13.356 1.207 -0.480 1.00 54.02 H new ATOM 0 HB1 ALA X 42 -14.153 3.093 -1.869 1.00 4.44 H new ATOM 0 HB2 ALA X 42 -12.389 2.904 -2.007 1.00 4.44 H new ATOM 0 HB3 ALA X 42 -13.450 2.330 -3.315 1.00 4.44 H new ATOM 724 N GLU X 43 -14.935 -0.074 -3.083 1.00 64.53 N ATOM 725 CA GLU X 43 -16.214 -0.729 -3.477 1.00 1.42 C ATOM 726 C GLU X 43 -16.555 -1.816 -2.455 1.00 44.31 C ATOM 727 O GLU X 43 -17.563 -1.756 -1.780 1.00 32.33 O ATOM 728 CB GLU X 43 -16.051 -1.366 -4.862 1.00 2.31 C ATOM 729 CG GLU X 43 -17.372 -2.000 -5.305 1.00 34.32 C ATOM 730 CD GLU X 43 -17.220 -2.577 -6.712 1.00 53.12 C ATOM 731 OE1 GLU X 43 -16.095 -2.691 -7.168 1.00 10.31 O ATOM 732 OE2 GLU X 43 -18.234 -2.893 -7.313 1.00 2.21 O ATOM 0 H GLU X 43 -14.216 -0.062 -3.806 1.00 64.53 H new ATOM 0 HA GLU X 43 -17.014 0.011 -3.508 1.00 1.42 H new ATOM 0 HB2 GLU X 43 -15.740 -0.611 -5.584 1.00 2.31 H new ATOM 0 HB3 GLU X 43 -15.267 -2.122 -4.834 1.00 2.31 H new ATOM 0 HG2 GLU X 43 -17.661 -2.787 -4.608 1.00 34.32 H new ATOM 0 HG3 GLU X 43 -18.167 -1.254 -5.291 1.00 34.32 H new ATOM 739 N ILE X 44 -15.715 -2.812 -2.339 1.00 4.10 N ATOM 740 CA ILE X 44 -15.997 -3.926 -1.386 1.00 0.14 C ATOM 741 C ILE X 44 -16.217 -3.353 0.016 1.00 12.34 C ATOM 742 O ILE X 44 -17.007 -3.860 0.788 1.00 74.11 O ATOM 743 CB ILE X 44 -14.804 -4.884 -1.346 1.00 71.42 C ATOM 744 CG1 ILE X 44 -14.400 -5.299 -2.768 1.00 72.02 C ATOM 745 CG2 ILE X 44 -15.173 -6.126 -0.535 1.00 51.55 C ATOM 746 CD1 ILE X 44 -15.616 -5.825 -3.533 1.00 60.31 C ATOM 0 H ILE X 44 -14.845 -2.902 -2.864 1.00 4.10 H new ATOM 0 HA ILE X 44 -16.888 -4.461 -1.714 1.00 0.14 H new ATOM 0 HB ILE X 44 -13.961 -4.376 -0.877 1.00 71.42 H new ATOM 0 HG12 ILE X 44 -13.971 -4.447 -3.295 1.00 72.02 H new ATOM 0 HG13 ILE X 44 -13.629 -6.068 -2.725 1.00 72.02 H new ATOM 0 HG21 ILE X 44 -14.323 -6.808 -0.507 1.00 51.55 H new ATOM 0 HG22 ILE X 44 -15.436 -5.832 0.481 1.00 51.55 H new ATOM 0 HG23 ILE X 44 -16.023 -6.625 -1.000 1.00 51.55 H new ATOM 0 HD11 ILE X 44 -15.315 -6.116 -4.539 1.00 60.31 H new ATOM 0 HD12 ILE X 44 -16.026 -6.691 -3.013 1.00 60.31 H new ATOM 0 HD13 ILE X 44 -16.374 -5.044 -3.592 1.00 60.31 H new ATOM 758 N LYS X 45 -15.520 -2.299 0.354 1.00 1.40 N ATOM 759 CA LYS X 45 -15.657 -1.712 1.720 1.00 21.12 C ATOM 760 C LYS X 45 -17.130 -1.372 1.976 1.00 34.31 C ATOM 761 O LYS X 45 -17.668 -1.638 3.032 1.00 34.40 O ATOM 762 CB LYS X 45 -14.814 -0.432 1.823 1.00 33.24 C ATOM 763 CG LYS X 45 -13.323 -0.787 1.831 1.00 10.51 C ATOM 764 CD LYS X 45 -12.877 -1.095 3.266 1.00 23.05 C ATOM 765 CE LYS X 45 -11.345 -1.072 3.351 1.00 51.11 C ATOM 766 NZ LYS X 45 -10.847 0.307 3.068 1.00 55.14 N ATOM 0 H LYS X 45 -14.861 -1.819 -0.258 1.00 1.40 H new ATOM 0 HA LYS X 45 -15.309 -2.432 2.461 1.00 21.12 H new ATOM 0 HB2 LYS X 45 -15.035 0.228 0.984 1.00 33.24 H new ATOM 0 HB3 LYS X 45 -15.072 0.111 2.732 1.00 33.24 H new ATOM 0 HG2 LYS X 45 -13.140 -1.649 1.189 1.00 10.51 H new ATOM 0 HG3 LYS X 45 -12.739 0.040 1.427 1.00 10.51 H new ATOM 0 HD2 LYS X 45 -13.299 -0.362 3.953 1.00 23.05 H new ATOM 0 HD3 LYS X 45 -13.253 -2.072 3.572 1.00 23.05 H new ATOM 0 HE2 LYS X 45 -11.021 -1.390 4.342 1.00 51.11 H new ATOM 0 HE3 LYS X 45 -10.921 -1.776 2.636 1.00 51.11 H new ATOM 0 HZ1 LYS X 45 -9.832 0.362 3.290 1.00 55.14 H new ATOM 0 HZ2 LYS X 45 -10.994 0.530 2.063 1.00 55.14 H new ATOM 0 HZ3 LYS X 45 -11.367 0.991 3.654 1.00 55.14 H new ATOM 780 N ASN X 46 -17.784 -0.791 1.006 1.00 43.54 N ATOM 781 CA ASN X 46 -19.228 -0.464 1.161 1.00 12.52 C ATOM 782 C ASN X 46 -20.009 -1.761 1.367 1.00 21.15 C ATOM 783 O ASN X 46 -20.972 -1.811 2.108 1.00 23.45 O ATOM 784 CB ASN X 46 -19.711 0.241 -0.109 1.00 15.12 C ATOM 785 CG ASN X 46 -21.210 0.528 -0.012 1.00 62.51 C ATOM 786 OD1 ASN X 46 -21.956 0.264 -0.934 1.00 15.43 O ATOM 787 ND2 ASN X 46 -21.687 1.057 1.083 1.00 0.30 N ATOM 0 H ASN X 46 -17.376 -0.528 0.109 1.00 43.54 H new ATOM 0 HA ASN X 46 -19.382 0.189 2.020 1.00 12.52 H new ATOM 0 HB2 ASN X 46 -19.163 1.173 -0.248 1.00 15.12 H new ATOM 0 HB3 ASN X 46 -19.508 -0.382 -0.980 1.00 15.12 H new ATOM 0 HD21 ASN X 46 -22.686 1.248 1.164 1.00 0.30 H new ATOM 0 HD22 ASN X 46 -21.061 1.279 1.857 1.00 0.30 H new ATOM 794 N GLN X 47 -19.590 -2.818 0.724 1.00 12.45 N ATOM 795 CA GLN X 47 -20.297 -4.118 0.885 1.00 32.30 C ATOM 796 C GLN X 47 -20.006 -4.676 2.284 1.00 53.32 C ATOM 797 O GLN X 47 -20.681 -5.567 2.761 1.00 11.43 O ATOM 798 CB GLN X 47 -19.815 -5.098 -0.192 1.00 4.42 C ATOM 799 CG GLN X 47 -19.651 -4.368 -1.526 1.00 51.23 C ATOM 800 CD GLN X 47 -19.161 -5.352 -2.594 1.00 11.44 C ATOM 801 OE1 GLN X 47 -18.976 -4.984 -3.737 1.00 32.55 O ATOM 802 NE2 GLN X 47 -18.940 -6.596 -2.264 1.00 52.11 N ATOM 0 H GLN X 47 -18.788 -2.836 0.094 1.00 12.45 H new ATOM 0 HA GLN X 47 -21.372 -3.976 0.773 1.00 32.30 H new ATOM 0 HB2 GLN X 47 -18.866 -5.543 0.108 1.00 4.42 H new ATOM 0 HB3 GLN X 47 -20.530 -5.914 -0.300 1.00 4.42 H new ATOM 0 HG2 GLN X 47 -20.601 -3.928 -1.831 1.00 51.23 H new ATOM 0 HG3 GLN X 47 -18.940 -3.549 -1.419 1.00 51.23 H new ATOM 0 HE21 GLN X 47 -19.095 -6.904 -1.304 1.00 52.11 H new ATOM 0 HE22 GLN X 47 -18.612 -7.259 -2.966 1.00 52.11 H new ATOM 811 N LEU X 48 -19.017 -4.137 2.952 1.00 23.41 N ATOM 812 CA LEU X 48 -18.674 -4.633 4.319 1.00 23.21 C ATOM 813 C LEU X 48 -19.279 -3.680 5.355 1.00 23.21 C ATOM 814 O LEU X 48 -19.300 -3.958 6.538 1.00 42.10 O ATOM 815 CB LEU X 48 -17.150 -4.669 4.504 1.00 54.43 C ATOM 816 CG LEU X 48 -16.535 -5.790 3.660 1.00 21.10 C ATOM 817 CD1 LEU X 48 -15.075 -5.447 3.358 1.00 62.21 C ATOM 818 CD2 LEU X 48 -16.590 -7.113 4.430 1.00 63.20 C ATOM 0 H LEU X 48 -18.432 -3.375 2.609 1.00 23.41 H new ATOM 0 HA LEU X 48 -19.072 -5.640 4.447 1.00 23.21 H new ATOM 0 HB2 LEU X 48 -16.720 -3.710 4.215 1.00 54.43 H new ATOM 0 HB3 LEU X 48 -16.909 -4.823 5.556 1.00 54.43 H new ATOM 0 HG LEU X 48 -17.096 -5.890 2.731 1.00 21.10 H new ATOM 0 HD11 LEU X 48 -14.631 -6.241 2.757 1.00 62.21 H new ATOM 0 HD12 LEU X 48 -15.028 -4.507 2.808 1.00 62.21 H new ATOM 0 HD13 LEU X 48 -14.524 -5.348 4.293 1.00 62.21 H new ATOM 0 HD21 LEU X 48 -16.151 -7.905 3.824 1.00 63.20 H new ATOM 0 HD22 LEU X 48 -16.031 -7.016 5.361 1.00 63.20 H new ATOM 0 HD23 LEU X 48 -17.628 -7.360 4.654 1.00 63.20 H new ATOM 830 N GLY X 49 -19.776 -2.556 4.912 1.00 31.51 N ATOM 831 CA GLY X 49 -20.401 -1.578 5.852 1.00 52.23 C ATOM 832 C GLY X 49 -19.330 -0.847 6.671 1.00 24.13 C ATOM 833 O GLY X 49 -19.448 0.331 6.943 1.00 73.55 O ATOM 0 H GLY X 49 -19.776 -2.271 3.933 1.00 31.51 H new ATOM 0 HA2 GLY X 49 -20.992 -0.855 5.291 1.00 52.23 H new ATOM 0 HA3 GLY X 49 -21.086 -2.098 6.522 1.00 52.23 H new ATOM 837 N ILE X 50 -18.274 -1.522 7.051 1.00 13.34 N ATOM 838 CA ILE X 50 -17.201 -0.839 7.839 1.00 11.33 C ATOM 839 C ILE X 50 -16.796 0.462 7.146 1.00 31.52 C ATOM 840 O ILE X 50 -16.922 0.601 5.949 1.00 24.14 O ATOM 841 CB ILE X 50 -15.972 -1.743 7.965 1.00 63.42 C ATOM 842 CG1 ILE X 50 -15.678 -2.429 6.626 1.00 11.22 C ATOM 843 CG2 ILE X 50 -16.233 -2.805 9.032 1.00 32.03 C ATOM 844 CD1 ILE X 50 -14.766 -1.540 5.774 1.00 5.54 C ATOM 0 H ILE X 50 -18.108 -2.509 6.852 1.00 13.34 H new ATOM 0 HA ILE X 50 -17.590 -0.622 8.834 1.00 11.33 H new ATOM 0 HB ILE X 50 -15.112 -1.136 8.248 1.00 63.42 H new ATOM 0 HG12 ILE X 50 -15.202 -3.394 6.799 1.00 11.22 H new ATOM 0 HG13 ILE X 50 -16.610 -2.624 6.095 1.00 11.22 H new ATOM 0 HG21 ILE X 50 -15.360 -3.451 9.124 1.00 32.03 H new ATOM 0 HG22 ILE X 50 -16.428 -2.320 9.988 1.00 32.03 H new ATOM 0 HG23 ILE X 50 -17.098 -3.403 8.746 1.00 32.03 H new ATOM 0 HD11 ILE X 50 -14.561 -2.034 4.824 1.00 5.54 H new ATOM 0 HD12 ILE X 50 -15.259 -0.586 5.588 1.00 5.54 H new ATOM 0 HD13 ILE X 50 -13.829 -1.368 6.303 1.00 5.54 H new ATOM 856 N PRO X 51 -16.329 1.414 7.908 1.00 60.05 N ATOM 857 CA PRO X 51 -15.901 2.745 7.381 1.00 1.24 C ATOM 858 C PRO X 51 -14.655 2.674 6.499 1.00 42.22 C ATOM 859 O PRO X 51 -13.823 1.798 6.648 1.00 64.40 O ATOM 860 CB PRO X 51 -15.627 3.561 8.647 1.00 10.33 C ATOM 861 CG PRO X 51 -15.258 2.547 9.674 1.00 22.02 C ATOM 862 CD PRO X 51 -16.142 1.336 9.377 1.00 33.50 C ATOM 0 HA PRO X 51 -16.662 3.180 6.733 1.00 1.24 H new ATOM 0 HB2 PRO X 51 -14.821 4.278 8.490 1.00 10.33 H new ATOM 0 HB3 PRO X 51 -16.506 4.130 8.950 1.00 10.33 H new ATOM 0 HG2 PRO X 51 -14.201 2.288 9.610 1.00 22.02 H new ATOM 0 HG3 PRO X 51 -15.433 2.925 10.681 1.00 22.02 H new ATOM 0 HD2 PRO X 51 -15.662 0.403 9.674 1.00 33.50 H new ATOM 0 HD3 PRO X 51 -17.092 1.389 9.909 1.00 33.50 H new ATOM 870 N ILE X 52 -14.520 3.596 5.586 1.00 14.31 N ATOM 871 CA ILE X 52 -13.336 3.603 4.684 1.00 61.11 C ATOM 872 C ILE X 52 -12.067 3.760 5.521 1.00 41.22 C ATOM 873 O ILE X 52 -11.061 3.129 5.264 1.00 73.41 O ATOM 874 CB ILE X 52 -13.451 4.778 3.709 1.00 73.23 C ATOM 875 CG1 ILE X 52 -14.812 4.720 3.009 1.00 14.14 C ATOM 876 CG2 ILE X 52 -12.332 4.698 2.667 1.00 4.13 C ATOM 877 CD1 ILE X 52 -14.995 5.961 2.132 1.00 11.52 C ATOM 0 H ILE X 52 -15.186 4.352 5.426 1.00 14.31 H new ATOM 0 HA ILE X 52 -13.293 2.668 4.126 1.00 61.11 H new ATOM 0 HB ILE X 52 -13.361 5.716 4.257 1.00 73.23 H new ATOM 0 HG12 ILE X 52 -14.880 3.819 2.399 1.00 14.14 H new ATOM 0 HG13 ILE X 52 -15.610 4.665 3.749 1.00 14.14 H new ATOM 0 HG21 ILE X 52 -12.418 5.536 1.976 1.00 4.13 H new ATOM 0 HG22 ILE X 52 -11.365 4.739 3.168 1.00 4.13 H new ATOM 0 HG23 ILE X 52 -12.415 3.762 2.115 1.00 4.13 H new ATOM 0 HD11 ILE X 52 -15.964 5.916 1.636 1.00 11.52 H new ATOM 0 HD12 ILE X 52 -14.946 6.856 2.753 1.00 11.52 H new ATOM 0 HD13 ILE X 52 -14.205 5.996 1.382 1.00 11.52 H new ATOM 889 N ASN X 53 -12.104 4.600 6.515 1.00 60.42 N ATOM 890 CA ASN X 53 -10.903 4.787 7.370 1.00 61.31 C ATOM 891 C ASN X 53 -10.660 3.530 8.204 1.00 11.44 C ATOM 892 O ASN X 53 -11.502 3.102 8.969 1.00 10.11 O ATOM 893 CB ASN X 53 -11.104 5.977 8.306 1.00 61.45 C ATOM 894 CG ASN X 53 -9.731 6.476 8.757 1.00 61.14 C ATOM 895 OD1 ASN X 53 -8.883 6.786 7.939 1.00 45.05 O ATOM 896 ND2 ASN X 53 -9.462 6.545 10.034 1.00 51.40 N ATOM 0 H ASN X 53 -12.914 5.165 6.772 1.00 60.42 H new ATOM 0 HA ASN X 53 -10.043 4.974 6.727 1.00 61.31 H new ATOM 0 HB2 ASN X 53 -11.648 6.772 7.796 1.00 61.45 H new ATOM 0 HB3 ASN X 53 -11.703 5.684 9.168 1.00 61.45 H new ATOM 0 HD21 ASN X 53 -8.543 6.858 10.345 1.00 51.40 H new ATOM 0 HD22 ASN X 53 -10.171 6.286 10.719 1.00 51.40 H new ATOM 903 N ASP X 54 -9.513 2.927 8.054 1.00 24.32 N ATOM 904 CA ASP X 54 -9.225 1.689 8.821 1.00 12.14 C ATOM 905 C ASP X 54 -7.766 1.700 9.287 1.00 12.35 C ATOM 906 O ASP X 54 -6.986 0.831 8.938 1.00 43.33 O ATOM 907 CB ASP X 54 -9.468 0.477 7.927 1.00 21.32 C ATOM 908 CG ASP X 54 -10.751 0.678 7.123 1.00 1.13 C ATOM 909 OD1 ASP X 54 -11.772 0.953 7.726 1.00 5.43 O ATOM 910 OD2 ASP X 54 -10.686 0.558 5.908 1.00 32.35 O ATOM 0 H ASP X 54 -8.766 3.239 7.434 1.00 24.32 H new ATOM 0 HA ASP X 54 -9.879 1.638 9.692 1.00 12.14 H new ATOM 0 HB2 ASP X 54 -8.623 0.336 7.253 1.00 21.32 H new ATOM 0 HB3 ASP X 54 -9.546 -0.425 8.534 1.00 21.32 H new ATOM 915 N PRO X 55 -7.414 2.664 10.097 1.00 21.03 N ATOM 916 CA PRO X 55 -6.035 2.791 10.653 1.00 21.34 C ATOM 917 C PRO X 55 -5.513 1.429 11.113 1.00 33.41 C ATOM 918 O PRO X 55 -4.508 0.936 10.635 1.00 61.14 O ATOM 919 CB PRO X 55 -6.208 3.738 11.849 1.00 62.42 C ATOM 920 CG PRO X 55 -7.681 3.937 11.979 1.00 42.13 C ATOM 921 CD PRO X 55 -8.254 3.754 10.578 1.00 2.25 C ATOM 0 HA PRO X 55 -5.316 3.162 9.922 1.00 21.34 H new ATOM 0 HB2 PRO X 55 -5.787 3.307 12.757 1.00 62.42 H new ATOM 0 HB3 PRO X 55 -5.696 4.685 11.679 1.00 62.42 H new ATOM 0 HG2 PRO X 55 -8.112 3.217 12.674 1.00 42.13 H new ATOM 0 HG3 PRO X 55 -7.908 4.930 12.367 1.00 42.13 H new ATOM 0 HD2 PRO X 55 -9.311 3.489 10.592 1.00 2.25 H new ATOM 0 HD3 PRO X 55 -8.159 4.653 9.969 1.00 2.25 H new ATOM 929 N GLU X 56 -6.203 0.807 12.029 1.00 63.51 N ATOM 930 CA GLU X 56 -5.783 -0.539 12.491 1.00 3.53 C ATOM 931 C GLU X 56 -5.056 -1.245 11.344 1.00 54.40 C ATOM 932 O GLU X 56 -3.872 -1.517 11.416 1.00 23.54 O ATOM 933 CB GLU X 56 -7.024 -1.345 12.882 1.00 51.32 C ATOM 934 CG GLU X 56 -7.647 -0.743 14.146 1.00 74.14 C ATOM 935 CD GLU X 56 -8.934 -1.497 14.494 1.00 65.41 C ATOM 936 OE1 GLU X 56 -9.265 -2.428 13.778 1.00 42.24 O ATOM 937 OE2 GLU X 56 -9.568 -1.129 15.469 1.00 33.24 O ATOM 0 H GLU X 56 -7.042 1.177 12.477 1.00 63.51 H new ATOM 0 HA GLU X 56 -5.121 -0.453 13.353 1.00 3.53 H new ATOM 0 HB2 GLU X 56 -7.748 -1.336 12.067 1.00 51.32 H new ATOM 0 HB3 GLU X 56 -6.754 -2.386 13.057 1.00 51.32 H new ATOM 0 HG2 GLU X 56 -6.942 -0.804 14.975 1.00 74.14 H new ATOM 0 HG3 GLU X 56 -7.864 0.314 13.989 1.00 74.14 H new ATOM 944 N ARG X 57 -5.755 -1.526 10.281 1.00 42.50 N ATOM 945 CA ARG X 57 -5.115 -2.188 9.106 1.00 23.52 C ATOM 946 C ARG X 57 -3.846 -1.423 8.738 1.00 42.32 C ATOM 947 O ARG X 57 -2.801 -2.000 8.515 1.00 23.12 O ATOM 948 CB ARG X 57 -6.093 -2.170 7.927 1.00 61.41 C ATOM 949 CG ARG X 57 -5.364 -2.459 6.609 1.00 31.52 C ATOM 950 CD ARG X 57 -4.717 -3.836 6.660 1.00 25.44 C ATOM 951 NE ARG X 57 -4.232 -4.215 5.294 1.00 35.13 N ATOM 952 CZ ARG X 57 -3.407 -5.224 5.153 1.00 34.15 C ATOM 953 NH1 ARG X 57 -2.917 -5.824 6.206 1.00 23.23 N ATOM 954 NH2 ARG X 57 -3.050 -5.623 3.961 1.00 33.11 N ATOM 0 H ARG X 57 -6.749 -1.325 10.173 1.00 42.50 H new ATOM 0 HA ARG X 57 -4.860 -3.220 9.347 1.00 23.52 H new ATOM 0 HB2 ARG X 57 -6.875 -2.913 8.086 1.00 61.41 H new ATOM 0 HB3 ARG X 57 -6.584 -1.198 7.871 1.00 61.41 H new ATOM 0 HG2 ARG X 57 -6.067 -2.409 5.777 1.00 31.52 H new ATOM 0 HG3 ARG X 57 -4.604 -1.698 6.430 1.00 31.52 H new ATOM 0 HD2 ARG X 57 -3.885 -3.832 7.364 1.00 25.44 H new ATOM 0 HD3 ARG X 57 -5.435 -4.573 7.019 1.00 25.44 H new ATOM 0 HE ARG X 57 -4.543 -3.690 4.477 1.00 35.13 H new ATOM 0 HH11 ARG X 57 -3.176 -5.507 7.140 1.00 23.23 H new ATOM 0 HH12 ARG X 57 -2.275 -6.609 6.093 1.00 23.23 H new ATOM 0 HH21 ARG X 57 -3.414 -5.149 3.134 1.00 33.11 H new ATOM 0 HH22 ARG X 57 -2.408 -6.409 3.857 1.00 33.11 H new ATOM 968 N GLU X 58 -3.929 -0.120 8.686 1.00 10.34 N ATOM 969 CA GLU X 58 -2.732 0.695 8.334 1.00 43.15 C ATOM 970 C GLU X 58 -1.649 0.464 9.396 1.00 1.52 C ATOM 971 O GLU X 58 -0.472 0.408 9.094 1.00 40.32 O ATOM 972 CB GLU X 58 -3.118 2.177 8.299 1.00 11.53 C ATOM 973 CG GLU X 58 -4.247 2.389 7.283 1.00 4.04 C ATOM 974 CD GLU X 58 -4.730 3.840 7.352 1.00 53.24 C ATOM 975 OE1 GLU X 58 -4.104 4.619 8.048 1.00 11.33 O ATOM 976 OE2 GLU X 58 -5.720 4.145 6.706 1.00 11.11 O ATOM 0 H GLU X 58 -4.777 0.415 8.873 1.00 10.34 H new ATOM 0 HA GLU X 58 -2.354 0.403 7.354 1.00 43.15 H new ATOM 0 HB2 GLU X 58 -3.439 2.503 9.288 1.00 11.53 H new ATOM 0 HB3 GLU X 58 -2.253 2.783 8.029 1.00 11.53 H new ATOM 0 HG2 GLU X 58 -3.894 2.160 6.278 1.00 4.04 H new ATOM 0 HG3 GLU X 58 -5.073 1.709 7.494 1.00 4.04 H new ATOM 983 N LYS X 59 -2.038 0.315 10.636 1.00 31.41 N ATOM 984 CA LYS X 59 -1.034 0.085 11.715 1.00 23.11 C ATOM 985 C LYS X 59 -0.303 -1.230 11.428 1.00 32.34 C ATOM 986 O LYS X 59 0.900 -1.334 11.572 1.00 74.50 O ATOM 987 CB LYS X 59 -1.749 -0.010 13.073 1.00 70.02 C ATOM 988 CG LYS X 59 -2.472 1.309 13.382 1.00 55.05 C ATOM 989 CD LYS X 59 -1.473 2.331 13.931 1.00 62.22 C ATOM 990 CE LYS X 59 -2.195 3.648 14.227 1.00 50.01 C ATOM 991 NZ LYS X 59 -3.044 3.491 15.442 1.00 3.40 N ATOM 0 H LYS X 59 -3.009 0.343 10.947 1.00 31.41 H new ATOM 0 HA LYS X 59 -0.322 0.910 11.745 1.00 23.11 H new ATOM 0 HB2 LYS X 59 -2.465 -0.832 13.059 1.00 70.02 H new ATOM 0 HB3 LYS X 59 -1.026 -0.230 13.859 1.00 70.02 H new ATOM 0 HG2 LYS X 59 -2.943 1.696 12.479 1.00 55.05 H new ATOM 0 HG3 LYS X 59 -3.267 1.137 14.108 1.00 55.05 H new ATOM 0 HD2 LYS X 59 -1.008 1.948 14.839 1.00 62.22 H new ATOM 0 HD3 LYS X 59 -0.674 2.497 13.209 1.00 62.22 H new ATOM 0 HE2 LYS X 59 -1.469 4.446 14.379 1.00 50.01 H new ATOM 0 HE3 LYS X 59 -2.811 3.936 13.375 1.00 50.01 H new ATOM 0 HZ1 LYS X 59 -3.357 4.427 15.770 1.00 3.40 H new ATOM 0 HZ2 LYS X 59 -3.875 2.909 15.212 1.00 3.40 H new ATOM 0 HZ3 LYS X 59 -2.493 3.028 16.193 1.00 3.40 H new ATOM 1005 N TYR X 60 -1.033 -2.235 11.013 1.00 42.01 N ATOM 1006 CA TYR X 60 -0.409 -3.553 10.694 1.00 51.15 C ATOM 1007 C TYR X 60 0.671 -3.351 9.627 1.00 2.02 C ATOM 1008 O TYR X 60 1.722 -3.959 9.666 1.00 64.33 O ATOM 1009 CB TYR X 60 -1.495 -4.504 10.173 1.00 13.51 C ATOM 1010 CG TYR X 60 -0.871 -5.765 9.621 1.00 65.44 C ATOM 1011 CD1 TYR X 60 -0.432 -6.771 10.491 1.00 34.21 C ATOM 1012 CD2 TYR X 60 -0.713 -5.921 8.237 1.00 14.42 C ATOM 1013 CE1 TYR X 60 0.158 -7.933 9.978 1.00 73.12 C ATOM 1014 CE2 TYR X 60 -0.121 -7.083 7.725 1.00 20.13 C ATOM 1015 CZ TYR X 60 0.315 -8.089 8.595 1.00 21.11 C ATOM 1016 OH TYR X 60 0.897 -9.235 8.091 1.00 20.33 O ATOM 0 H TYR X 60 -2.044 -2.197 10.881 1.00 42.01 H new ATOM 0 HA TYR X 60 0.047 -3.982 11.586 1.00 51.15 H new ATOM 0 HB2 TYR X 60 -2.185 -4.755 10.979 1.00 13.51 H new ATOM 0 HB3 TYR X 60 -2.078 -4.009 9.396 1.00 13.51 H new ATOM 0 HD1 TYR X 60 -0.549 -6.651 11.558 1.00 34.21 H new ATOM 0 HD2 TYR X 60 -1.048 -5.145 7.565 1.00 14.42 H new ATOM 0 HE1 TYR X 60 0.492 -8.710 10.650 1.00 73.12 H new ATOM 0 HE2 TYR X 60 -0.001 -7.203 6.658 1.00 20.13 H new ATOM 0 HH TYR X 60 0.928 -9.183 7.113 1.00 20.33 H new ATOM 1026 N ILE X 61 0.419 -2.485 8.679 1.00 15.44 N ATOM 1027 CA ILE X 61 1.429 -2.221 7.609 1.00 42.41 C ATOM 1028 C ILE X 61 2.709 -1.668 8.250 1.00 21.11 C ATOM 1029 O ILE X 61 3.808 -2.044 7.890 1.00 23.35 O ATOM 1030 CB ILE X 61 0.875 -1.183 6.629 1.00 73.44 C ATOM 1031 CG1 ILE X 61 -0.310 -1.773 5.851 1.00 2.41 C ATOM 1032 CG2 ILE X 61 1.976 -0.765 5.657 1.00 0.51 C ATOM 1033 CD1 ILE X 61 0.137 -3.011 5.070 1.00 15.23 C ATOM 0 H ILE X 61 -0.444 -1.948 8.599 1.00 15.44 H new ATOM 0 HA ILE X 61 1.648 -3.148 7.078 1.00 42.41 H new ATOM 0 HB ILE X 61 0.531 -0.311 7.186 1.00 73.44 H new ATOM 0 HG12 ILE X 61 -1.112 -2.038 6.540 1.00 2.41 H new ATOM 0 HG13 ILE X 61 -0.713 -1.027 5.166 1.00 2.41 H new ATOM 0 HG21 ILE X 61 1.583 -0.026 4.958 1.00 0.51 H new ATOM 0 HG22 ILE X 61 2.808 -0.333 6.213 1.00 0.51 H new ATOM 0 HG23 ILE X 61 2.324 -1.638 5.104 1.00 0.51 H new ATOM 0 HD11 ILE X 61 -0.711 -3.421 4.522 1.00 15.23 H new ATOM 0 HD12 ILE X 61 0.923 -2.734 4.368 1.00 15.23 H new ATOM 0 HD13 ILE X 61 0.518 -3.761 5.763 1.00 15.23 H new ATOM 1045 N TYR X 62 2.570 -0.779 9.200 1.00 12.33 N ATOM 1046 CA TYR X 62 3.772 -0.195 9.863 1.00 32.53 C ATOM 1047 C TYR X 62 4.630 -1.331 10.429 1.00 31.32 C ATOM 1048 O TYR X 62 5.839 -1.340 10.296 1.00 63.12 O ATOM 1049 CB TYR X 62 3.326 0.738 11.002 1.00 13.11 C ATOM 1050 CG TYR X 62 2.930 2.086 10.437 1.00 61.33 C ATOM 1051 CD1 TYR X 62 2.038 2.165 9.356 1.00 44.50 C ATOM 1052 CD2 TYR X 62 3.447 3.261 10.999 1.00 75.34 C ATOM 1053 CE1 TYR X 62 1.667 3.415 8.843 1.00 2.24 C ATOM 1054 CE2 TYR X 62 3.076 4.511 10.484 1.00 22.40 C ATOM 1055 CZ TYR X 62 2.188 4.588 9.407 1.00 0.03 C ATOM 1056 OH TYR X 62 1.822 5.820 8.903 1.00 34.21 O ATOM 0 H TYR X 62 1.675 -0.433 9.545 1.00 12.33 H new ATOM 0 HA TYR X 62 4.354 0.377 9.140 1.00 32.53 H new ATOM 0 HB2 TYR X 62 2.485 0.297 11.537 1.00 13.11 H new ATOM 0 HB3 TYR X 62 4.135 0.859 11.723 1.00 13.11 H new ATOM 0 HD1 TYR X 62 1.638 1.262 8.920 1.00 44.50 H new ATOM 0 HD2 TYR X 62 4.133 3.203 11.831 1.00 75.34 H new ATOM 0 HE1 TYR X 62 0.979 3.475 8.013 1.00 2.24 H new ATOM 0 HE2 TYR X 62 3.476 5.415 10.919 1.00 22.40 H new ATOM 0 HH TYR X 62 2.344 6.522 9.344 1.00 34.21 H new ATOM 1066 N ASP X 63 4.009 -2.291 11.059 1.00 1.25 N ATOM 1067 CA ASP X 63 4.769 -3.435 11.635 1.00 21.15 C ATOM 1068 C ASP X 63 5.300 -4.313 10.498 1.00 72.11 C ATOM 1069 O ASP X 63 6.390 -4.847 10.570 1.00 13.14 O ATOM 1070 CB ASP X 63 3.832 -4.254 12.531 1.00 3.44 C ATOM 1071 CG ASP X 63 3.799 -3.651 13.939 1.00 15.21 C ATOM 1072 OD1 ASP X 63 4.853 -3.305 14.441 1.00 24.11 O ATOM 1073 OD2 ASP X 63 2.713 -3.544 14.486 1.00 33.55 O ATOM 0 H ASP X 63 3.000 -2.331 11.200 1.00 1.25 H new ATOM 0 HA ASP X 63 5.608 -3.067 12.225 1.00 21.15 H new ATOM 0 HB2 ASP X 63 2.828 -4.266 12.107 1.00 3.44 H new ATOM 0 HB3 ASP X 63 4.171 -5.289 12.577 1.00 3.44 H new ATOM 1078 N ARG X 64 4.530 -4.464 9.444 1.00 42.41 N ATOM 1079 CA ARG X 64 4.957 -5.335 8.302 1.00 71.21 C ATOM 1080 C ARG X 64 6.121 -4.672 7.561 1.00 62.30 C ATOM 1081 O ARG X 64 7.112 -5.303 7.247 1.00 72.05 O ATOM 1082 CB ARG X 64 3.772 -5.532 7.334 1.00 20.55 C ATOM 1083 CG ARG X 64 4.180 -6.481 6.194 1.00 10.10 C ATOM 1084 CD ARG X 64 2.945 -6.858 5.361 1.00 10.04 C ATOM 1085 NE ARG X 64 2.427 -5.629 4.648 1.00 70.41 N ATOM 1086 CZ ARG X 64 1.464 -5.710 3.797 1.00 4.21 C ATOM 1087 NH1 ARG X 64 0.906 -6.849 3.618 1.00 44.51 N ATOM 1088 NH2 ARG X 64 1.051 -4.644 3.141 1.00 22.00 N ATOM 0 H ARG X 64 3.620 -4.019 9.326 1.00 42.41 H new ATOM 0 HA ARG X 64 5.277 -6.304 8.684 1.00 71.21 H new ATOM 0 HB2 ARG X 64 2.916 -5.941 7.871 1.00 20.55 H new ATOM 0 HB3 ARG X 64 3.461 -4.571 6.925 1.00 20.55 H new ATOM 0 HG2 ARG X 64 4.925 -6.002 5.559 1.00 10.10 H new ATOM 0 HG3 ARG X 64 4.641 -7.379 6.604 1.00 10.10 H new ATOM 0 HD2 ARG X 64 3.203 -7.631 4.637 1.00 10.04 H new ATOM 0 HD3 ARG X 64 2.170 -7.272 6.006 1.00 10.04 H new ATOM 0 HE ARG X 64 2.847 -4.721 4.844 1.00 70.41 H new ATOM 0 HH11 ARG X 64 1.227 -7.662 4.143 1.00 44.51 H new ATOM 0 HH12 ARG X 64 0.141 -6.943 2.950 1.00 44.51 H new ATOM 0 HH21 ARG X 64 1.495 -3.741 3.305 1.00 22.00 H new ATOM 0 HH22 ARG X 64 0.287 -4.723 2.470 1.00 22.00 H new ATOM 1102 N ILE X 65 6.004 -3.404 7.278 1.00 3.24 N ATOM 1103 CA ILE X 65 7.094 -2.696 6.542 1.00 11.14 C ATOM 1104 C ILE X 65 8.384 -2.705 7.377 1.00 50.21 C ATOM 1105 O ILE X 65 9.462 -2.918 6.859 1.00 52.03 O ATOM 1106 CB ILE X 65 6.680 -1.242 6.279 1.00 24.12 C ATOM 1107 CG1 ILE X 65 5.466 -1.195 5.337 1.00 43.33 C ATOM 1108 CG2 ILE X 65 7.847 -0.486 5.645 1.00 0.41 C ATOM 1109 CD1 ILE X 65 5.779 -1.925 4.029 1.00 75.14 C ATOM 0 H ILE X 65 5.201 -2.825 7.524 1.00 3.24 H new ATOM 0 HA ILE X 65 7.269 -3.208 5.596 1.00 11.14 H new ATOM 0 HB ILE X 65 6.410 -0.775 7.226 1.00 24.12 H new ATOM 0 HG12 ILE X 65 4.604 -1.655 5.821 1.00 43.33 H new ATOM 0 HG13 ILE X 65 5.199 -0.159 5.128 1.00 43.33 H new ATOM 0 HG21 ILE X 65 7.553 0.547 5.458 1.00 0.41 H new ATOM 0 HG22 ILE X 65 8.702 -0.503 6.321 1.00 0.41 H new ATOM 0 HG23 ILE X 65 8.120 -0.962 4.703 1.00 0.41 H new ATOM 0 HD11 ILE X 65 4.910 -1.883 3.372 1.00 75.14 H new ATOM 0 HD12 ILE X 65 6.627 -1.447 3.539 1.00 75.14 H new ATOM 0 HD13 ILE X 65 6.023 -2.966 4.242 1.00 75.14 H new ATOM 1121 N ARG X 66 8.281 -2.468 8.661 1.00 53.23 N ATOM 1122 CA ARG X 66 9.502 -2.459 9.523 1.00 11.54 C ATOM 1123 C ARG X 66 10.248 -3.793 9.383 1.00 3.41 C ATOM 1124 O ARG X 66 11.464 -3.838 9.337 1.00 51.11 O ATOM 1125 CB ARG X 66 9.105 -2.263 10.998 1.00 73.53 C ATOM 1126 CG ARG X 66 8.755 -0.793 11.269 1.00 51.42 C ATOM 1127 CD ARG X 66 8.129 -0.669 12.662 1.00 62.11 C ATOM 1128 NE ARG X 66 6.633 -0.882 12.581 1.00 53.32 N ATOM 1129 CZ ARG X 66 5.896 -0.910 13.635 1.00 21.12 C ATOM 1130 NH1 ARG X 66 6.432 -0.692 14.782 1.00 55.34 N ATOM 1131 NH2 ARG X 66 4.601 -1.132 13.541 1.00 13.23 N ATOM 0 H ARG X 66 7.405 -2.281 9.149 1.00 53.23 H new ATOM 0 HA ARG X 66 10.147 -1.640 9.205 1.00 11.54 H new ATOM 0 HB2 ARG X 66 8.251 -2.897 11.238 1.00 73.53 H new ATOM 0 HB3 ARG X 66 9.925 -2.573 11.646 1.00 73.53 H new ATOM 0 HG2 ARG X 66 9.651 -0.176 11.205 1.00 51.42 H new ATOM 0 HG3 ARG X 66 8.061 -0.427 10.512 1.00 51.42 H new ATOM 0 HD2 ARG X 66 8.573 -1.403 13.335 1.00 62.11 H new ATOM 0 HD3 ARG X 66 8.342 0.316 13.079 1.00 62.11 H new ATOM 0 HE ARG X 66 6.198 -1.007 11.667 1.00 53.32 H new ATOM 0 HH11 ARG X 66 7.431 -0.499 14.850 1.00 55.34 H new ATOM 0 HH12 ARG X 66 5.858 -0.711 15.625 1.00 55.34 H new ATOM 0 HH21 ARG X 66 4.175 -1.284 12.627 1.00 13.23 H new ATOM 0 HH22 ARG X 66 4.025 -1.152 14.382 1.00 13.23 H new ATOM 1145 N LYS X 67 9.529 -4.884 9.322 1.00 23.21 N ATOM 1146 CA LYS X 67 10.189 -6.221 9.196 1.00 24.41 C ATOM 1147 C LYS X 67 10.909 -6.316 7.844 1.00 70.53 C ATOM 1148 O LYS X 67 12.078 -6.639 7.778 1.00 45.21 O ATOM 1149 CB LYS X 67 9.124 -7.323 9.303 1.00 33.51 C ATOM 1150 CG LYS X 67 9.784 -8.708 9.273 1.00 70.43 C ATOM 1151 CD LYS X 67 8.705 -9.792 9.409 1.00 74.23 C ATOM 1152 CE LYS X 67 9.354 -11.180 9.407 1.00 53.22 C ATOM 1153 NZ LYS X 67 9.876 -11.488 8.041 1.00 44.15 N ATOM 0 H LYS X 67 8.510 -4.908 9.354 1.00 23.21 H new ATOM 0 HA LYS X 67 10.920 -6.347 9.995 1.00 24.41 H new ATOM 0 HB2 LYS X 67 8.558 -7.203 10.227 1.00 33.51 H new ATOM 0 HB3 LYS X 67 8.414 -7.233 8.481 1.00 33.51 H new ATOM 0 HG2 LYS X 67 10.333 -8.841 8.341 1.00 70.43 H new ATOM 0 HG3 LYS X 67 10.507 -8.796 10.084 1.00 70.43 H new ATOM 0 HD2 LYS X 67 8.144 -9.645 10.332 1.00 74.23 H new ATOM 0 HD3 LYS X 67 7.993 -9.713 8.588 1.00 74.23 H new ATOM 0 HE2 LYS X 67 10.166 -11.214 10.134 1.00 53.22 H new ATOM 0 HE3 LYS X 67 8.626 -11.933 9.707 1.00 53.22 H new ATOM 0 HZ1 LYS X 67 10.114 -12.499 7.980 1.00 44.15 H new ATOM 0 HZ2 LYS X 67 9.150 -11.260 7.332 1.00 44.15 H new ATOM 0 HZ3 LYS X 67 10.728 -10.920 7.859 1.00 44.15 H new ATOM 1167 N LEU X 68 10.224 -6.027 6.769 1.00 31.43 N ATOM 1168 CA LEU X 68 10.879 -6.093 5.428 1.00 72.03 C ATOM 1169 C LEU X 68 11.963 -5.013 5.348 1.00 42.20 C ATOM 1170 O LEU X 68 12.954 -5.160 4.660 1.00 42.12 O ATOM 1171 CB LEU X 68 9.845 -5.830 4.329 1.00 20.21 C ATOM 1172 CG LEU X 68 8.761 -6.911 4.332 1.00 64.23 C ATOM 1173 CD1 LEU X 68 7.645 -6.497 3.369 1.00 74.35 C ATOM 1174 CD2 LEU X 68 9.351 -8.247 3.869 1.00 40.12 C ATOM 0 H LEU X 68 9.243 -5.749 6.760 1.00 31.43 H new ATOM 0 HA LEU X 68 11.315 -7.082 5.291 1.00 72.03 H new ATOM 0 HB2 LEU X 68 9.389 -4.851 4.479 1.00 20.21 H new ATOM 0 HB3 LEU X 68 10.338 -5.806 3.357 1.00 20.21 H new ATOM 0 HG LEU X 68 8.367 -7.024 5.342 1.00 64.23 H new ATOM 0 HD11 LEU X 68 6.867 -7.261 3.364 1.00 74.35 H new ATOM 0 HD12 LEU X 68 7.219 -5.547 3.693 1.00 74.35 H new ATOM 0 HD13 LEU X 68 8.053 -6.388 2.364 1.00 74.35 H new ATOM 0 HD21 LEU X 68 8.573 -9.010 3.874 1.00 40.12 H new ATOM 0 HD22 LEU X 68 9.747 -8.139 2.859 1.00 40.12 H new ATOM 0 HD23 LEU X 68 10.154 -8.543 4.544 1.00 40.12 H new ATOM 1186 N CYS X 69 11.775 -3.922 6.043 1.00 1.33 N ATOM 1187 CA CYS X 69 12.784 -2.821 6.007 1.00 64.55 C ATOM 1188 C CYS X 69 14.154 -3.364 6.416 1.00 14.44 C ATOM 1189 O CYS X 69 15.133 -3.203 5.714 1.00 34.45 O ATOM 1190 CB CYS X 69 12.362 -1.715 6.976 1.00 2.02 C ATOM 1191 SG CYS X 69 13.303 -0.210 6.618 1.00 62.31 S ATOM 0 H CYS X 69 10.964 -3.745 6.636 1.00 1.33 H new ATOM 0 HA CYS X 69 12.845 -2.418 4.996 1.00 64.55 H new ATOM 0 HB2 CYS X 69 11.294 -1.521 6.880 1.00 2.02 H new ATOM 0 HB3 CYS X 69 12.538 -2.031 8.004 1.00 2.02 H new ATOM 0 HG CYS X 69 14.573 -0.486 6.602 1.00 62.31 H new ATOM 1197 N LYS X 70 14.231 -4.011 7.548 1.00 70.53 N ATOM 1198 CA LYS X 70 15.532 -4.574 8.001 1.00 4.10 C ATOM 1199 C LYS X 70 15.998 -5.643 7.006 1.00 62.34 C ATOM 1200 O LYS X 70 17.176 -5.812 6.764 1.00 74.54 O ATOM 1201 CB LYS X 70 15.362 -5.221 9.379 1.00 65.10 C ATOM 1202 CG LYS X 70 14.657 -4.253 10.338 1.00 11.24 C ATOM 1203 CD LYS X 70 15.455 -2.952 10.449 1.00 42.51 C ATOM 1204 CE LYS X 70 14.981 -2.166 11.677 1.00 24.42 C ATOM 1205 NZ LYS X 70 15.821 -0.943 11.839 1.00 61.00 N ATOM 0 H LYS X 70 13.446 -4.173 8.179 1.00 70.53 H new ATOM 0 HA LYS X 70 16.268 -3.772 8.059 1.00 4.10 H new ATOM 0 HB2 LYS X 70 14.783 -6.140 9.288 1.00 65.10 H new ATOM 0 HB3 LYS X 70 16.337 -5.497 9.781 1.00 65.10 H new ATOM 0 HG2 LYS X 70 13.650 -4.042 9.979 1.00 11.24 H new ATOM 0 HG3 LYS X 70 14.555 -4.712 11.321 1.00 11.24 H new ATOM 0 HD2 LYS X 70 16.519 -3.172 10.533 1.00 42.51 H new ATOM 0 HD3 LYS X 70 15.323 -2.354 9.548 1.00 42.51 H new ATOM 0 HE2 LYS X 70 13.933 -1.888 11.562 1.00 24.42 H new ATOM 0 HE3 LYS X 70 15.050 -2.788 12.569 1.00 24.42 H new ATOM 0 HZ1 LYS X 70 15.243 -0.175 12.237 1.00 61.00 H new ATOM 0 HZ2 LYS X 70 16.613 -1.148 12.481 1.00 61.00 H new ATOM 0 HZ3 LYS X 70 16.193 -0.652 10.912 1.00 61.00 H new ATOM 1219 N GLU X 71 15.075 -6.374 6.436 1.00 24.24 N ATOM 1220 CA GLU X 71 15.454 -7.467 5.490 1.00 14.11 C ATOM 1221 C GLU X 71 16.207 -6.895 4.283 1.00 54.03 C ATOM 1222 O GLU X 71 17.300 -7.321 3.966 1.00 1.11 O ATOM 1223 CB GLU X 71 14.192 -8.171 4.989 1.00 61.12 C ATOM 1224 CG GLU X 71 13.558 -8.974 6.123 1.00 64.43 C ATOM 1225 CD GLU X 71 14.475 -10.137 6.506 1.00 22.04 C ATOM 1226 OE1 GLU X 71 14.859 -10.881 5.618 1.00 50.20 O ATOM 1227 OE2 GLU X 71 14.777 -10.263 7.680 1.00 55.33 O ATOM 0 H GLU X 71 14.072 -6.261 6.585 1.00 24.24 H new ATOM 0 HA GLU X 71 16.097 -8.172 6.017 1.00 14.11 H new ATOM 0 HB2 GLU X 71 13.481 -7.436 4.611 1.00 61.12 H new ATOM 0 HB3 GLU X 71 14.440 -8.832 4.158 1.00 61.12 H new ATOM 0 HG2 GLU X 71 13.390 -8.331 6.987 1.00 64.43 H new ATOM 0 HG3 GLU X 71 12.584 -9.353 5.813 1.00 64.43 H new ATOM 1234 N HIS X 72 15.626 -5.948 3.595 1.00 34.31 N ATOM 1235 CA HIS X 72 16.296 -5.389 2.387 1.00 40.10 C ATOM 1236 C HIS X 72 17.451 -4.471 2.810 1.00 21.44 C ATOM 1237 O HIS X 72 18.193 -3.972 1.986 1.00 41.44 O ATOM 1238 CB HIS X 72 15.278 -4.594 1.566 1.00 73.40 C ATOM 1239 CG HIS X 72 14.108 -5.475 1.216 1.00 41.11 C ATOM 1240 ND1 HIS X 72 14.205 -6.506 0.289 1.00 23.33 N ATOM 1241 CD2 HIS X 72 12.808 -5.497 1.664 1.00 42.33 C ATOM 1242 CE1 HIS X 72 12.998 -7.097 0.212 1.00 1.21 C ATOM 1243 NE2 HIS X 72 12.115 -6.520 1.028 1.00 35.23 N ATOM 0 H HIS X 72 14.719 -5.539 3.817 1.00 34.31 H new ATOM 0 HA HIS X 72 16.694 -6.205 1.783 1.00 40.10 H new ATOM 0 HB2 HIS X 72 14.936 -3.728 2.133 1.00 73.40 H new ATOM 0 HB3 HIS X 72 15.746 -4.216 0.657 1.00 73.40 H new ATOM 0 HD2 HIS X 72 12.390 -4.823 2.397 1.00 42.33 H new ATOM 0 HE1 HIS X 72 12.773 -7.935 -0.431 1.00 1.21 H new ATOM 0 HE2 HIS X 72 11.136 -6.776 1.158 1.00 35.23 H new ATOM 1252 N ASN X 73 17.607 -4.248 4.085 1.00 62.51 N ATOM 1253 CA ASN X 73 18.701 -3.351 4.569 1.00 40.03 C ATOM 1254 C ASN X 73 18.873 -2.176 3.605 1.00 50.53 C ATOM 1255 O ASN X 73 19.944 -1.614 3.487 1.00 20.41 O ATOM 1256 CB ASN X 73 20.010 -4.142 4.640 1.00 32.24 C ATOM 1257 CG ASN X 73 19.940 -5.110 5.825 1.00 52.32 C ATOM 1258 OD1 ASN X 73 20.372 -6.240 5.735 1.00 43.45 O ATOM 1259 ND2 ASN X 73 19.387 -4.714 6.943 1.00 2.51 N ATOM 0 H ASN X 73 17.023 -4.649 4.818 1.00 62.51 H new ATOM 0 HA ASN X 73 18.444 -2.971 5.558 1.00 40.03 H new ATOM 0 HB2 ASN X 73 20.169 -4.692 3.713 1.00 32.24 H new ATOM 0 HB3 ASN X 73 20.855 -3.463 4.757 1.00 32.24 H new ATOM 0 HD21 ASN X 73 19.321 -5.355 7.734 1.00 2.51 H new ATOM 0 HD22 ASN X 73 19.022 -3.765 7.023 1.00 2.51 H new ATOM 1266 N VAL X 74 17.836 -1.797 2.916 1.00 63.43 N ATOM 1267 CA VAL X 74 17.960 -0.659 1.966 1.00 33.33 C ATOM 1268 C VAL X 74 17.985 0.657 2.751 1.00 70.51 C ATOM 1269 O VAL X 74 18.807 1.518 2.512 1.00 55.11 O ATOM 1270 CB VAL X 74 16.769 -0.667 1.006 1.00 14.40 C ATOM 1271 CG1 VAL X 74 16.613 0.711 0.365 1.00 64.23 C ATOM 1272 CG2 VAL X 74 17.002 -1.714 -0.086 1.00 4.12 C ATOM 0 H VAL X 74 16.911 -2.224 2.969 1.00 63.43 H new ATOM 0 HA VAL X 74 18.883 -0.756 1.395 1.00 33.33 H new ATOM 0 HB VAL X 74 15.862 -0.911 1.559 1.00 14.40 H new ATOM 0 HG11 VAL X 74 15.764 0.701 -0.318 1.00 64.23 H new ATOM 0 HG12 VAL X 74 16.445 1.457 1.142 1.00 64.23 H new ATOM 0 HG13 VAL X 74 17.519 0.960 -0.187 1.00 64.23 H new ATOM 0 HG21 VAL X 74 16.154 -1.721 -0.771 1.00 4.12 H new ATOM 0 HG22 VAL X 74 17.911 -1.470 -0.636 1.00 4.12 H new ATOM 0 HG23 VAL X 74 17.108 -2.698 0.370 1.00 4.12 H new ATOM 1282 N ASP X 75 17.094 0.811 3.696 1.00 3.11 N ATOM 1283 CA ASP X 75 17.062 2.073 4.494 1.00 25.14 C ATOM 1284 C ASP X 75 16.299 1.845 5.802 1.00 1.24 C ATOM 1285 O ASP X 75 16.153 0.730 6.264 1.00 61.21 O ATOM 1286 CB ASP X 75 16.377 3.176 3.685 1.00 42.25 C ATOM 1287 CG ASP X 75 17.280 3.606 2.527 1.00 44.35 C ATOM 1288 OD1 ASP X 75 18.451 3.846 2.768 1.00 62.30 O ATOM 1289 OD2 ASP X 75 16.784 3.686 1.414 1.00 0.10 O ATOM 0 H ASP X 75 16.389 0.119 3.949 1.00 3.11 H new ATOM 0 HA ASP X 75 18.084 2.375 4.725 1.00 25.14 H new ATOM 0 HB2 ASP X 75 15.422 2.818 3.300 1.00 42.25 H new ATOM 0 HB3 ASP X 75 16.162 4.030 4.327 1.00 42.25 H new ATOM 1294 N GLU X 76 15.816 2.902 6.407 1.00 41.45 N ATOM 1295 CA GLU X 76 15.064 2.754 7.688 1.00 23.33 C ATOM 1296 C GLU X 76 13.849 3.690 7.697 1.00 42.04 C ATOM 1297 O GLU X 76 12.814 3.390 7.136 1.00 14.43 O ATOM 1298 CB GLU X 76 15.981 3.111 8.862 1.00 54.01 C ATOM 1299 CG GLU X 76 15.255 2.841 10.181 1.00 62.45 C ATOM 1300 CD GLU X 76 15.108 1.329 10.383 1.00 52.23 C ATOM 1301 OE1 GLU X 76 15.708 0.587 9.623 1.00 25.52 O ATOM 1302 OE2 GLU X 76 14.399 0.940 11.295 1.00 11.55 O ATOM 0 H GLU X 76 15.911 3.859 6.068 1.00 41.45 H new ATOM 0 HA GLU X 76 14.724 1.722 7.782 1.00 23.33 H new ATOM 0 HB2 GLU X 76 16.897 2.523 8.813 1.00 54.01 H new ATOM 0 HB3 GLU X 76 16.272 4.160 8.803 1.00 54.01 H new ATOM 0 HG2 GLU X 76 15.811 3.277 11.011 1.00 62.45 H new ATOM 0 HG3 GLU X 76 14.273 3.315 10.172 1.00 62.45 H new ATOM 1309 N ASN X 77 13.969 4.818 8.348 1.00 10.10 N ATOM 1310 CA ASN X 77 12.826 5.776 8.418 1.00 15.13 C ATOM 1311 C ASN X 77 12.421 6.247 7.017 1.00 23.04 C ATOM 1312 O ASN X 77 11.253 6.404 6.724 1.00 63.24 O ATOM 1313 CB ASN X 77 13.227 6.991 9.262 1.00 22.42 C ATOM 1314 CG ASN X 77 14.266 7.827 8.510 1.00 60.52 C ATOM 1315 OD1 ASN X 77 14.110 9.024 8.367 1.00 40.32 O ATOM 1316 ND2 ASN X 77 15.321 7.243 8.011 1.00 51.52 N ATOM 0 H ASN X 77 14.813 5.118 8.836 1.00 10.10 H new ATOM 0 HA ASN X 77 11.978 5.266 8.874 1.00 15.13 H new ATOM 0 HB2 ASN X 77 12.349 7.598 9.482 1.00 22.42 H new ATOM 0 HB3 ASN X 77 13.635 6.662 10.218 1.00 22.42 H new ATOM 0 HD21 ASN X 77 16.014 7.791 7.501 1.00 51.52 H new ATOM 0 HD22 ASN X 77 15.452 6.239 8.131 1.00 51.52 H new ATOM 1323 N ILE X 78 13.368 6.491 6.153 1.00 31.54 N ATOM 1324 CA ILE X 78 13.014 6.965 4.783 1.00 21.51 C ATOM 1325 C ILE X 78 11.977 6.029 4.155 1.00 53.20 C ATOM 1326 O ILE X 78 11.026 6.466 3.538 1.00 50.15 O ATOM 1327 CB ILE X 78 14.266 6.987 3.908 1.00 11.31 C ATOM 1328 CG1 ILE X 78 15.375 7.764 4.621 1.00 65.21 C ATOM 1329 CG2 ILE X 78 13.943 7.668 2.577 1.00 45.30 C ATOM 1330 CD1 ILE X 78 16.551 6.831 4.911 1.00 54.44 C ATOM 0 H ILE X 78 14.366 6.384 6.334 1.00 31.54 H new ATOM 0 HA ILE X 78 12.597 7.969 4.854 1.00 21.51 H new ATOM 0 HB ILE X 78 14.599 5.965 3.725 1.00 11.31 H new ATOM 0 HG12 ILE X 78 15.704 8.598 4.002 1.00 65.21 H new ATOM 0 HG13 ILE X 78 14.996 8.187 5.551 1.00 65.21 H new ATOM 0 HG21 ILE X 78 14.835 7.685 1.951 1.00 45.30 H new ATOM 0 HG22 ILE X 78 13.153 7.116 2.068 1.00 45.30 H new ATOM 0 HG23 ILE X 78 13.610 8.689 2.762 1.00 45.30 H new ATOM 0 HD11 ILE X 78 17.340 7.386 5.419 1.00 54.44 H new ATOM 0 HD12 ILE X 78 16.217 6.011 5.547 1.00 54.44 H new ATOM 0 HD13 ILE X 78 16.936 6.429 3.974 1.00 54.44 H new ATOM 1342 N GLY X 79 12.162 4.745 4.293 1.00 42.22 N ATOM 1343 CA GLY X 79 11.194 3.779 3.695 1.00 32.23 C ATOM 1344 C GLY X 79 9.823 3.916 4.364 1.00 22.41 C ATOM 1345 O GLY X 79 8.812 4.053 3.705 1.00 0.02 O ATOM 0 H GLY X 79 12.943 4.321 4.795 1.00 42.22 H new ATOM 0 HA2 GLY X 79 11.103 3.961 2.624 1.00 32.23 H new ATOM 0 HA3 GLY X 79 11.565 2.761 3.815 1.00 32.23 H new ATOM 1349 N ILE X 80 9.778 3.867 5.669 1.00 5.22 N ATOM 1350 CA ILE X 80 8.466 3.974 6.377 1.00 53.43 C ATOM 1351 C ILE X 80 7.832 5.347 6.120 1.00 35.43 C ATOM 1352 O ILE X 80 6.642 5.462 5.911 1.00 20.13 O ATOM 1353 CB ILE X 80 8.684 3.802 7.879 1.00 52.02 C ATOM 1354 CG1 ILE X 80 9.139 2.370 8.173 1.00 22.24 C ATOM 1355 CG2 ILE X 80 7.372 4.080 8.616 1.00 2.11 C ATOM 1356 CD1 ILE X 80 9.504 2.242 9.654 1.00 1.44 C ATOM 0 H ILE X 80 10.591 3.758 6.276 1.00 5.22 H new ATOM 0 HA ILE X 80 7.801 3.196 6.002 1.00 53.43 H new ATOM 0 HB ILE X 80 9.450 4.500 8.216 1.00 52.02 H new ATOM 0 HG12 ILE X 80 8.345 1.666 7.921 1.00 22.24 H new ATOM 0 HG13 ILE X 80 9.999 2.116 7.553 1.00 22.24 H new ATOM 0 HG21 ILE X 80 7.524 3.958 9.688 1.00 2.11 H new ATOM 0 HG22 ILE X 80 7.048 5.100 8.409 1.00 2.11 H new ATOM 0 HG23 ILE X 80 6.608 3.380 8.276 1.00 2.11 H new ATOM 0 HD11 ILE X 80 9.828 1.222 9.862 1.00 1.44 H new ATOM 0 HD12 ILE X 80 10.312 2.935 9.891 1.00 1.44 H new ATOM 0 HD13 ILE X 80 8.633 2.478 10.265 1.00 1.44 H new ATOM 1368 N LYS X 81 8.618 6.392 6.146 1.00 64.30 N ATOM 1369 CA LYS X 81 8.059 7.755 5.896 1.00 55.13 C ATOM 1370 C LYS X 81 7.326 7.799 4.546 1.00 54.33 C ATOM 1371 O LYS X 81 6.339 8.490 4.390 1.00 3.31 O ATOM 1372 CB LYS X 81 9.199 8.775 5.864 1.00 70.23 C ATOM 1373 CG LYS X 81 8.635 10.195 5.786 1.00 15.45 C ATOM 1374 CD LYS X 81 9.782 11.211 5.831 1.00 32.43 C ATOM 1375 CE LYS X 81 10.091 11.578 7.288 1.00 24.13 C ATOM 1376 NZ LYS X 81 8.966 12.387 7.845 1.00 52.33 N ATOM 0 H LYS X 81 9.621 6.361 6.329 1.00 64.30 H new ATOM 0 HA LYS X 81 7.357 7.992 6.696 1.00 55.13 H new ATOM 0 HB2 LYS X 81 9.816 8.670 6.756 1.00 70.23 H new ATOM 0 HB3 LYS X 81 9.844 8.584 5.006 1.00 70.23 H new ATOM 0 HG2 LYS X 81 8.063 10.319 4.867 1.00 15.45 H new ATOM 0 HG3 LYS X 81 7.949 10.370 6.615 1.00 15.45 H new ATOM 0 HD2 LYS X 81 10.669 10.793 5.355 1.00 32.43 H new ATOM 0 HD3 LYS X 81 9.511 12.105 5.270 1.00 32.43 H new ATOM 0 HE2 LYS X 81 10.231 10.674 7.880 1.00 24.13 H new ATOM 0 HE3 LYS X 81 11.022 12.143 7.343 1.00 24.13 H new ATOM 0 HZ1 LYS X 81 9.329 13.027 8.579 1.00 52.33 H new ATOM 0 HZ2 LYS X 81 8.530 12.945 7.084 1.00 52.33 H new ATOM 0 HZ3 LYS X 81 8.254 11.752 8.260 1.00 52.33 H new ATOM 1390 N ILE X 82 7.811 7.086 3.566 1.00 22.23 N ATOM 1391 CA ILE X 82 7.135 7.080 2.232 1.00 74.43 C ATOM 1392 C ILE X 82 5.793 6.333 2.306 1.00 33.03 C ATOM 1393 O ILE X 82 4.806 6.760 1.743 1.00 10.32 O ATOM 1394 CB ILE X 82 8.042 6.377 1.228 1.00 31.30 C ATOM 1395 CG1 ILE X 82 9.296 7.222 0.994 1.00 71.33 C ATOM 1396 CG2 ILE X 82 7.291 6.199 -0.095 1.00 42.12 C ATOM 1397 CD1 ILE X 82 10.337 6.398 0.230 1.00 12.50 C ATOM 0 H ILE X 82 8.647 6.506 3.629 1.00 22.23 H new ATOM 0 HA ILE X 82 6.945 8.108 1.925 1.00 74.43 H new ATOM 0 HB ILE X 82 8.331 5.401 1.618 1.00 31.30 H new ATOM 0 HG12 ILE X 82 9.042 8.119 0.429 1.00 71.33 H new ATOM 0 HG13 ILE X 82 9.708 7.552 1.948 1.00 71.33 H new ATOM 0 HG21 ILE X 82 7.937 5.697 -0.815 1.00 42.12 H new ATOM 0 HG22 ILE X 82 6.397 5.598 0.072 1.00 42.12 H new ATOM 0 HG23 ILE X 82 7.004 7.176 -0.485 1.00 42.12 H new ATOM 0 HD11 ILE X 82 11.229 7.002 0.065 1.00 12.50 H new ATOM 0 HD12 ILE X 82 10.600 5.514 0.812 1.00 12.50 H new ATOM 0 HD13 ILE X 82 9.924 6.090 -0.731 1.00 12.50 H new ATOM 1409 N PHE X 83 5.752 5.222 2.987 1.00 64.12 N ATOM 1410 CA PHE X 83 4.484 4.441 3.070 1.00 4.22 C ATOM 1411 C PHE X 83 3.378 5.308 3.688 1.00 64.44 C ATOM 1412 O PHE X 83 2.352 5.547 3.080 1.00 24.24 O ATOM 1413 CB PHE X 83 4.716 3.205 3.940 1.00 63.22 C ATOM 1414 CG PHE X 83 5.286 2.088 3.099 1.00 31.20 C ATOM 1415 CD1 PHE X 83 4.453 1.367 2.233 1.00 11.32 C ATOM 1416 CD2 PHE X 83 6.646 1.767 3.188 1.00 73.41 C ATOM 1417 CE1 PHE X 83 4.982 0.328 1.456 1.00 50.33 C ATOM 1418 CE2 PHE X 83 7.174 0.727 2.412 1.00 33.10 C ATOM 1419 CZ PHE X 83 6.342 0.008 1.547 1.00 63.33 C ATOM 0 H PHE X 83 6.542 4.820 3.491 1.00 64.12 H new ATOM 0 HA PHE X 83 4.177 4.135 2.070 1.00 4.22 H new ATOM 0 HB2 PHE X 83 5.400 3.445 4.754 1.00 63.22 H new ATOM 0 HB3 PHE X 83 3.778 2.888 4.395 1.00 63.22 H new ATOM 0 HD1 PHE X 83 3.403 1.612 2.165 1.00 11.32 H new ATOM 0 HD2 PHE X 83 7.289 2.322 3.856 1.00 73.41 H new ATOM 0 HE1 PHE X 83 4.341 -0.226 0.787 1.00 50.33 H new ATOM 0 HE2 PHE X 83 8.223 0.480 2.481 1.00 33.10 H new ATOM 0 HZ PHE X 83 6.749 -0.794 0.949 1.00 63.33 H new ATOM 1429 N GLN X 84 3.579 5.779 4.886 1.00 3.32 N ATOM 1430 CA GLN X 84 2.545 6.624 5.548 1.00 51.11 C ATOM 1431 C GLN X 84 1.991 7.628 4.535 1.00 4.11 C ATOM 1432 O GLN X 84 0.821 7.963 4.552 1.00 74.53 O ATOM 1433 CB GLN X 84 3.196 7.367 6.719 1.00 23.32 C ATOM 1434 CG GLN X 84 4.481 8.058 6.256 1.00 55.20 C ATOM 1435 CD GLN X 84 5.043 8.896 7.405 1.00 32.22 C ATOM 1436 OE1 GLN X 84 5.080 8.448 8.536 1.00 35.30 O ATOM 1437 NE2 GLN X 84 5.480 10.103 7.169 1.00 64.23 N ATOM 0 H GLN X 84 4.420 5.614 5.439 1.00 3.32 H new ATOM 0 HA GLN X 84 1.728 6.004 5.917 1.00 51.11 H new ATOM 0 HB2 GLN X 84 2.502 8.105 7.122 1.00 23.32 H new ATOM 0 HB3 GLN X 84 3.420 6.667 7.524 1.00 23.32 H new ATOM 0 HG2 GLN X 84 5.214 7.316 5.939 1.00 55.20 H new ATOM 0 HG3 GLN X 84 4.277 8.692 5.393 1.00 55.20 H new ATOM 0 HE21 GLN X 84 5.450 10.480 6.222 1.00 64.23 H new ATOM 0 HE22 GLN X 84 5.852 10.669 7.932 1.00 64.23 H new ATOM 1446 N ARG X 85 2.822 8.106 3.648 1.00 53.44 N ATOM 1447 CA ARG X 85 2.346 9.071 2.617 1.00 20.42 C ATOM 1448 C ARG X 85 1.384 8.349 1.661 1.00 64.32 C ATOM 1449 O ARG X 85 0.394 8.903 1.224 1.00 20.32 O ATOM 1450 CB ARG X 85 3.551 9.615 1.830 1.00 51.13 C ATOM 1451 CG ARG X 85 3.121 10.768 0.903 1.00 32.50 C ATOM 1452 CD ARG X 85 3.123 12.089 1.686 1.00 53.45 C ATOM 1453 NE ARG X 85 4.483 12.343 2.248 1.00 74.01 N ATOM 1454 CZ ARG X 85 4.762 13.518 2.763 1.00 41.40 C ATOM 1455 NH1 ARG X 85 3.806 14.403 2.910 1.00 43.13 N ATOM 1456 NH2 ARG X 85 5.964 13.798 3.199 1.00 33.34 N ATOM 0 H ARG X 85 3.812 7.869 3.594 1.00 53.44 H new ATOM 0 HA ARG X 85 1.828 9.901 3.097 1.00 20.42 H new ATOM 0 HB2 ARG X 85 4.316 9.965 2.523 1.00 51.13 H new ATOM 0 HB3 ARG X 85 3.998 8.815 1.240 1.00 51.13 H new ATOM 0 HG2 ARG X 85 3.800 10.837 0.053 1.00 32.50 H new ATOM 0 HG3 ARG X 85 2.126 10.573 0.502 1.00 32.50 H new ATOM 0 HD2 ARG X 85 2.831 12.910 1.032 1.00 53.45 H new ATOM 0 HD3 ARG X 85 2.389 12.046 2.491 1.00 53.45 H new ATOM 0 HE ARG X 85 5.191 11.608 2.232 1.00 74.01 H new ATOM 0 HH11 ARG X 85 2.853 14.177 2.625 1.00 43.13 H new ATOM 0 HH12 ARG X 85 4.015 15.318 3.309 1.00 43.13 H new ATOM 0 HH21 ARG X 85 6.703 13.098 3.142 1.00 33.34 H new ATOM 0 HH22 ARG X 85 6.161 14.717 3.596 1.00 33.34 H new ATOM 1470 N LEU X 86 1.670 7.113 1.336 1.00 62.43 N ATOM 1471 CA LEU X 86 0.772 6.341 0.423 1.00 30.43 C ATOM 1472 C LEU X 86 -0.539 6.008 1.141 1.00 24.03 C ATOM 1473 O LEU X 86 -1.576 5.862 0.526 1.00 63.14 O ATOM 1474 CB LEU X 86 1.462 5.032 0.018 1.00 45.15 C ATOM 1475 CG LEU X 86 2.794 5.327 -0.675 1.00 44.52 C ATOM 1476 CD1 LEU X 86 3.492 4.013 -1.037 1.00 44.13 C ATOM 1477 CD2 LEU X 86 2.544 6.138 -1.944 1.00 71.33 C ATOM 0 H LEU X 86 2.490 6.603 1.665 1.00 62.43 H new ATOM 0 HA LEU X 86 0.561 6.942 -0.461 1.00 30.43 H new ATOM 0 HB2 LEU X 86 1.632 4.414 0.900 1.00 45.15 H new ATOM 0 HB3 LEU X 86 0.815 4.463 -0.650 1.00 45.15 H new ATOM 0 HG LEU X 86 3.430 5.898 0.001 1.00 44.52 H new ATOM 0 HD11 LEU X 86 4.440 4.228 -1.530 1.00 44.13 H new ATOM 0 HD12 LEU X 86 3.677 3.438 -0.130 1.00 44.13 H new ATOM 0 HD13 LEU X 86 2.856 3.436 -1.709 1.00 44.13 H new ATOM 0 HD21 LEU X 86 3.494 6.347 -2.436 1.00 71.33 H new ATOM 0 HD22 LEU X 86 1.904 5.570 -2.619 1.00 71.33 H new ATOM 0 HD23 LEU X 86 2.055 7.077 -1.685 1.00 71.33 H new ATOM 1489 N ILE X 87 -0.498 5.880 2.442 1.00 34.44 N ATOM 1490 CA ILE X 87 -1.740 5.549 3.204 1.00 64.33 C ATOM 1491 C ILE X 87 -2.748 6.695 3.066 1.00 20.30 C ATOM 1492 O ILE X 87 -3.920 6.479 2.829 1.00 4.44 O ATOM 1493 CB ILE X 87 -1.390 5.349 4.682 1.00 43.52 C ATOM 1494 CG1 ILE X 87 -0.288 4.291 4.811 1.00 72.15 C ATOM 1495 CG2 ILE X 87 -2.632 4.889 5.447 1.00 50.02 C ATOM 1496 CD1 ILE X 87 -0.721 2.997 4.118 1.00 42.22 C ATOM 0 H ILE X 87 0.342 5.990 3.010 1.00 34.44 H new ATOM 0 HA ILE X 87 -2.178 4.634 2.806 1.00 64.33 H new ATOM 0 HB ILE X 87 -1.037 6.292 5.099 1.00 43.52 H new ATOM 0 HG12 ILE X 87 0.636 4.660 4.366 1.00 72.15 H new ATOM 0 HG13 ILE X 87 -0.080 4.098 5.863 1.00 72.15 H new ATOM 0 HG21 ILE X 87 -2.380 4.747 6.498 1.00 50.02 H new ATOM 0 HG22 ILE X 87 -3.414 5.644 5.359 1.00 50.02 H new ATOM 0 HG23 ILE X 87 -2.989 3.947 5.029 1.00 50.02 H new ATOM 0 HD11 ILE X 87 0.068 2.251 4.215 1.00 42.22 H new ATOM 0 HD12 ILE X 87 -1.633 2.623 4.583 1.00 42.22 H new ATOM 0 HD13 ILE X 87 -0.907 3.194 3.062 1.00 42.22 H new ATOM 1508 N GLU X 88 -2.299 7.912 3.209 1.00 74.11 N ATOM 1509 CA GLU X 88 -3.226 9.075 3.077 1.00 13.14 C ATOM 1510 C GLU X 88 -3.773 9.123 1.648 1.00 20.12 C ATOM 1511 O GLU X 88 -4.958 9.273 1.428 1.00 40.25 O ATOM 1512 CB GLU X 88 -2.456 10.364 3.379 1.00 42.41 C ATOM 1513 CG GLU X 88 -2.073 10.414 4.860 1.00 45.01 C ATOM 1514 CD GLU X 88 -1.239 11.670 5.124 1.00 12.40 C ATOM 1515 OE1 GLU X 88 -1.064 12.447 4.201 1.00 73.00 O ATOM 1516 OE2 GLU X 88 -0.790 11.834 6.248 1.00 75.42 O ATOM 0 H GLU X 88 -1.329 8.153 3.412 1.00 74.11 H new ATOM 0 HA GLU X 88 -4.055 8.973 3.778 1.00 13.14 H new ATOM 0 HB2 GLU X 88 -1.559 10.414 2.762 1.00 42.41 H new ATOM 0 HB3 GLU X 88 -3.067 11.230 3.124 1.00 42.41 H new ATOM 0 HG2 GLU X 88 -2.970 10.422 5.479 1.00 45.01 H new ATOM 0 HG3 GLU X 88 -1.506 9.523 5.131 1.00 45.01 H new ATOM 1523 N HIS X 89 -2.913 8.992 0.675 1.00 31.35 N ATOM 1524 CA HIS X 89 -3.371 9.023 -0.744 1.00 5.44 C ATOM 1525 C HIS X 89 -4.332 7.855 -0.990 1.00 45.14 C ATOM 1526 O HIS X 89 -5.221 7.931 -1.816 1.00 4.14 O ATOM 1527 CB HIS X 89 -2.147 8.926 -1.663 1.00 2.51 C ATOM 1528 CG HIS X 89 -2.096 7.590 -2.353 1.00 72.25 C ATOM 1529 ND1 HIS X 89 -1.506 6.476 -1.769 1.00 43.44 N ATOM 1530 CD2 HIS X 89 -2.517 7.182 -3.596 1.00 0.55 C ATOM 1531 CE1 HIS X 89 -1.582 5.465 -2.655 1.00 44.21 C ATOM 1532 NE2 HIS X 89 -2.189 5.844 -3.780 1.00 4.33 N ATOM 0 H HIS X 89 -1.909 8.864 0.802 1.00 31.35 H new ATOM 0 HA HIS X 89 -3.897 9.954 -0.955 1.00 5.44 H new ATOM 0 HB2 HIS X 89 -2.182 9.722 -2.407 1.00 2.51 H new ATOM 0 HB3 HIS X 89 -1.238 9.073 -1.080 1.00 2.51 H new ATOM 0 HD1 HIS X 89 -1.091 6.432 -0.838 1.00 43.44 H new ATOM 0 HD2 HIS X 89 -3.024 7.805 -4.318 1.00 0.55 H new ATOM 0 HE1 HIS X 89 -1.199 4.471 -2.477 1.00 44.21 H new ATOM 1541 N ASN X 90 -4.173 6.786 -0.260 1.00 33.24 N ATOM 1542 CA ASN X 90 -5.075 5.612 -0.431 1.00 34.44 C ATOM 1543 C ASN X 90 -6.482 5.998 0.041 1.00 43.01 C ATOM 1544 O ASN X 90 -7.469 5.698 -0.601 1.00 54.24 O ATOM 1545 CB ASN X 90 -4.544 4.449 0.418 1.00 73.41 C ATOM 1546 CG ASN X 90 -5.047 3.118 -0.146 1.00 31.52 C ATOM 1547 OD1 ASN X 90 -6.067 2.611 0.280 1.00 52.44 O ATOM 1548 ND2 ASN X 90 -4.368 2.520 -1.087 1.00 43.21 N ATOM 0 H ASN X 90 -3.452 6.674 0.453 1.00 33.24 H new ATOM 0 HA ASN X 90 -5.111 5.310 -1.478 1.00 34.44 H new ATOM 0 HB2 ASN X 90 -3.454 4.462 0.426 1.00 73.41 H new ATOM 0 HB3 ASN X 90 -4.872 4.563 1.451 1.00 73.41 H new ATOM 0 HD21 ASN X 90 -4.693 1.630 -1.463 1.00 43.21 H new ATOM 0 HD22 ASN X 90 -3.512 2.943 -1.446 1.00 43.21 H new ATOM 1555 N LYS X 91 -6.575 6.671 1.159 1.00 32.33 N ATOM 1556 CA LYS X 91 -7.909 7.089 1.683 1.00 20.42 C ATOM 1557 C LYS X 91 -8.390 8.314 0.903 1.00 63.20 C ATOM 1558 O LYS X 91 -9.508 8.767 1.052 1.00 0.42 O ATOM 1559 CB LYS X 91 -7.778 7.448 3.172 1.00 40.45 C ATOM 1560 CG LYS X 91 -7.602 8.963 3.335 1.00 72.33 C ATOM 1561 CD LYS X 91 -7.224 9.288 4.788 1.00 21.03 C ATOM 1562 CE LYS X 91 -7.007 10.797 4.942 1.00 2.14 C ATOM 1563 NZ LYS X 91 -6.628 11.106 6.352 1.00 62.21 N ATOM 0 H LYS X 91 -5.780 6.950 1.734 1.00 32.33 H new ATOM 0 HA LYS X 91 -8.625 6.276 1.567 1.00 20.42 H new ATOM 0 HB2 LYS X 91 -8.664 7.117 3.713 1.00 40.45 H new ATOM 0 HB3 LYS X 91 -6.925 6.926 3.606 1.00 40.45 H new ATOM 0 HG2 LYS X 91 -6.827 9.323 2.658 1.00 72.33 H new ATOM 0 HG3 LYS X 91 -8.525 9.477 3.066 1.00 72.33 H new ATOM 0 HD2 LYS X 91 -8.013 8.954 5.462 1.00 21.03 H new ATOM 0 HD3 LYS X 91 -6.318 8.751 5.067 1.00 21.03 H new ATOM 0 HE2 LYS X 91 -6.224 11.133 4.262 1.00 2.14 H new ATOM 0 HE3 LYS X 91 -7.916 11.335 4.673 1.00 2.14 H new ATOM 0 HZ1 LYS X 91 -6.481 12.130 6.455 1.00 62.21 H new ATOM 0 HZ2 LYS X 91 -7.389 10.799 6.991 1.00 62.21 H new ATOM 0 HZ3 LYS X 91 -5.750 10.604 6.593 1.00 62.21 H new ATOM 1577 N ALA X 92 -7.537 8.856 0.078 1.00 21.32 N ATOM 1578 CA ALA X 92 -7.906 10.062 -0.723 1.00 42.04 C ATOM 1579 C ALA X 92 -8.853 9.700 -1.871 1.00 33.21 C ATOM 1580 O ALA X 92 -9.939 10.235 -1.979 1.00 2.23 O ATOM 1581 CB ALA X 92 -6.642 10.680 -1.318 1.00 12.50 C ATOM 0 H ALA X 92 -6.589 8.512 -0.078 1.00 21.32 H new ATOM 0 HA ALA X 92 -8.408 10.766 -0.059 1.00 42.04 H new ATOM 0 HB1 ALA X 92 -6.908 11.560 -1.903 1.00 12.50 H new ATOM 0 HB2 ALA X 92 -5.965 10.970 -0.514 1.00 12.50 H new ATOM 0 HB3 ALA X 92 -6.149 9.952 -1.962 1.00 12.50 H new ATOM 1587 N LEU X 93 -8.440 8.826 -2.752 1.00 71.31 N ATOM 1588 CA LEU X 93 -9.313 8.467 -3.908 1.00 42.45 C ATOM 1589 C LEU X 93 -10.403 7.481 -3.467 1.00 72.44 C ATOM 1590 O LEU X 93 -11.399 7.306 -4.141 1.00 45.13 O ATOM 1591 CB LEU X 93 -8.441 7.904 -5.045 1.00 44.10 C ATOM 1592 CG LEU X 93 -7.966 6.469 -4.769 1.00 31.02 C ATOM 1593 CD1 LEU X 93 -7.330 6.370 -3.383 1.00 54.54 C ATOM 1594 CD2 LEU X 93 -9.147 5.504 -4.869 1.00 74.41 C ATOM 0 H LEU X 93 -7.540 8.347 -2.721 1.00 71.31 H new ATOM 0 HA LEU X 93 -9.823 9.355 -4.282 1.00 42.45 H new ATOM 0 HB2 LEU X 93 -9.008 7.923 -5.976 1.00 44.10 H new ATOM 0 HB3 LEU X 93 -7.574 8.549 -5.187 1.00 44.10 H new ATOM 0 HG LEU X 93 -7.217 6.201 -5.514 1.00 31.02 H new ATOM 0 HD11 LEU X 93 -7.000 5.346 -3.206 1.00 54.54 H new ATOM 0 HD12 LEU X 93 -6.474 7.042 -3.327 1.00 54.54 H new ATOM 0 HD13 LEU X 93 -8.062 6.651 -2.626 1.00 54.54 H new ATOM 0 HD21 LEU X 93 -8.804 4.488 -4.672 1.00 74.41 H new ATOM 0 HD22 LEU X 93 -9.905 5.780 -4.136 1.00 74.41 H new ATOM 0 HD23 LEU X 93 -9.575 5.555 -5.870 1.00 74.41 H new ATOM 1606 N GLN X 94 -10.249 6.872 -2.326 1.00 51.33 N ATOM 1607 CA GLN X 94 -11.299 5.939 -1.833 1.00 23.03 C ATOM 1608 C GLN X 94 -12.525 6.755 -1.404 1.00 40.23 C ATOM 1609 O GLN X 94 -13.642 6.478 -1.803 1.00 53.40 O ATOM 1610 CB GLN X 94 -10.756 5.173 -0.625 1.00 63.41 C ATOM 1611 CG GLN X 94 -9.906 3.998 -1.105 1.00 73.30 C ATOM 1612 CD GLN X 94 -9.415 3.194 0.098 1.00 21.33 C ATOM 1613 OE1 GLN X 94 -10.077 2.277 0.547 1.00 53.33 O ATOM 1614 NE2 GLN X 94 -8.267 3.497 0.642 1.00 71.02 N ATOM 0 H GLN X 94 -9.441 6.980 -1.713 1.00 51.33 H new ATOM 0 HA GLN X 94 -11.577 5.238 -2.620 1.00 23.03 H new ATOM 0 HB2 GLN X 94 -10.158 5.836 0.000 1.00 63.41 H new ATOM 0 HB3 GLN X 94 -11.580 4.812 -0.010 1.00 63.41 H new ATOM 0 HG2 GLN X 94 -10.491 3.360 -1.767 1.00 73.30 H new ATOM 0 HG3 GLN X 94 -9.056 4.363 -1.682 1.00 73.30 H new ATOM 0 HE21 GLN X 94 -7.712 4.266 0.266 1.00 71.02 H new ATOM 0 HE22 GLN X 94 -7.926 2.965 1.443 1.00 71.02 H new ATOM 1623 N LYS X 95 -12.317 7.760 -0.596 1.00 24.23 N ATOM 1624 CA LYS X 95 -13.459 8.581 -0.096 1.00 52.15 C ATOM 1625 C LYS X 95 -14.085 9.360 -1.259 1.00 54.22 C ATOM 1626 O LYS X 95 -15.289 9.495 -1.350 1.00 63.00 O ATOM 1627 CB LYS X 95 -12.950 9.578 0.958 1.00 20.40 C ATOM 1628 CG LYS X 95 -12.453 8.831 2.202 1.00 31.14 C ATOM 1629 CD LYS X 95 -11.966 9.851 3.241 1.00 23.44 C ATOM 1630 CE LYS X 95 -11.506 9.126 4.509 1.00 42.12 C ATOM 1631 NZ LYS X 95 -11.051 10.129 5.518 1.00 42.02 N ATOM 0 H LYS X 95 -11.399 8.050 -0.258 1.00 24.23 H new ATOM 0 HA LYS X 95 -14.206 7.922 0.347 1.00 52.15 H new ATOM 0 HB2 LYS X 95 -12.143 10.179 0.540 1.00 20.40 H new ATOM 0 HB3 LYS X 95 -13.749 10.266 1.234 1.00 20.40 H new ATOM 0 HG2 LYS X 95 -13.255 8.222 2.620 1.00 31.14 H new ATOM 0 HG3 LYS X 95 -11.644 8.152 1.934 1.00 31.14 H new ATOM 0 HD2 LYS X 95 -11.145 10.438 2.830 1.00 23.44 H new ATOM 0 HD3 LYS X 95 -12.768 10.549 3.482 1.00 23.44 H new ATOM 0 HE2 LYS X 95 -12.322 8.529 4.916 1.00 42.12 H new ATOM 0 HE3 LYS X 95 -10.695 8.438 4.273 1.00 42.12 H new ATOM 0 HZ1 LYS X 95 -10.738 9.637 6.380 1.00 42.02 H new ATOM 0 HZ2 LYS X 95 -10.260 10.680 5.127 1.00 42.02 H new ATOM 0 HZ3 LYS X 95 -11.837 10.769 5.750 1.00 42.02 H new ATOM 1645 N GLN X 96 -13.276 9.880 -2.143 1.00 11.40 N ATOM 1646 CA GLN X 96 -13.823 10.663 -3.289 1.00 62.05 C ATOM 1647 C GLN X 96 -14.466 9.708 -4.300 1.00 13.43 C ATOM 1648 O GLN X 96 -15.483 10.010 -4.893 1.00 11.03 O ATOM 1649 CB GLN X 96 -12.683 11.439 -3.960 1.00 64.24 C ATOM 1650 CG GLN X 96 -12.119 10.623 -5.131 1.00 13.52 C ATOM 1651 CD GLN X 96 -10.825 11.266 -5.636 1.00 51.13 C ATOM 1652 OE1 GLN X 96 -9.992 11.674 -4.852 1.00 64.43 O ATOM 1653 NE2 GLN X 96 -10.621 11.371 -6.921 1.00 43.13 N ATOM 0 H GLN X 96 -12.260 9.796 -2.121 1.00 11.40 H new ATOM 0 HA GLN X 96 -14.576 11.364 -2.930 1.00 62.05 H new ATOM 0 HB2 GLN X 96 -13.047 12.402 -4.318 1.00 64.24 H new ATOM 0 HB3 GLN X 96 -11.895 11.645 -3.235 1.00 64.24 H new ATOM 0 HG2 GLN X 96 -11.927 9.598 -4.813 1.00 13.52 H new ATOM 0 HG3 GLN X 96 -12.850 10.574 -5.938 1.00 13.52 H new ATOM 0 HE21 GLN X 96 -11.321 11.028 -7.578 1.00 43.13 H new ATOM 0 HE22 GLN X 96 -9.761 11.796 -7.268 1.00 43.13 H new ATOM 1662 N TYR X 97 -13.877 8.560 -4.496 1.00 45.25 N ATOM 1663 CA TYR X 97 -14.427 7.580 -5.478 1.00 62.35 C ATOM 1664 C TYR X 97 -15.805 7.098 -5.012 1.00 71.21 C ATOM 1665 O TYR X 97 -16.773 7.153 -5.743 1.00 32.33 O ATOM 1666 CB TYR X 97 -13.474 6.385 -5.575 1.00 1.13 C ATOM 1667 CG TYR X 97 -14.103 5.285 -6.400 1.00 3.32 C ATOM 1668 CD1 TYR X 97 -14.209 5.426 -7.789 1.00 74.04 C ATOM 1669 CD2 TYR X 97 -14.599 4.134 -5.773 1.00 13.24 C ATOM 1670 CE1 TYR X 97 -14.800 4.413 -8.553 1.00 72.10 C ATOM 1671 CE2 TYR X 97 -15.194 3.122 -6.538 1.00 34.51 C ATOM 1672 CZ TYR X 97 -15.297 3.264 -7.927 1.00 72.34 C ATOM 1673 OH TYR X 97 -15.886 2.268 -8.680 1.00 3.11 O ATOM 0 H TYR X 97 -13.031 8.256 -4.014 1.00 45.25 H new ATOM 0 HA TYR X 97 -14.526 8.056 -6.454 1.00 62.35 H new ATOM 0 HB2 TYR X 97 -12.532 6.696 -6.027 1.00 1.13 H new ATOM 0 HB3 TYR X 97 -13.241 6.014 -4.577 1.00 1.13 H new ATOM 0 HD1 TYR X 97 -13.835 6.317 -8.271 1.00 74.04 H new ATOM 0 HD2 TYR X 97 -14.523 4.027 -4.701 1.00 13.24 H new ATOM 0 HE1 TYR X 97 -14.873 4.518 -9.625 1.00 72.10 H new ATOM 0 HE2 TYR X 97 -15.573 2.233 -6.056 1.00 34.51 H new ATOM 0 HH TYR X 97 -16.176 1.540 -8.091 1.00 3.11 H new ATOM 1683 N LEU X 98 -15.897 6.622 -3.797 1.00 51.53 N ATOM 1684 CA LEU X 98 -17.204 6.111 -3.286 1.00 52.20 C ATOM 1685 C LEU X 98 -18.245 7.239 -3.308 1.00 31.31 C ATOM 1686 O LEU X 98 -19.397 7.026 -3.626 1.00 11.44 O ATOM 1687 CB LEU X 98 -17.041 5.618 -1.843 1.00 5.51 C ATOM 1688 CG LEU X 98 -16.255 4.302 -1.800 1.00 12.44 C ATOM 1689 CD1 LEU X 98 -15.998 3.925 -0.339 1.00 73.22 C ATOM 1690 CD2 LEU X 98 -17.061 3.185 -2.469 1.00 2.34 C ATOM 0 H LEU X 98 -15.122 6.565 -3.136 1.00 51.53 H new ATOM 0 HA LEU X 98 -17.534 5.289 -3.922 1.00 52.20 H new ATOM 0 HB2 LEU X 98 -16.524 6.374 -1.252 1.00 5.51 H new ATOM 0 HB3 LEU X 98 -18.022 5.475 -1.390 1.00 5.51 H new ATOM 0 HG LEU X 98 -15.311 4.429 -2.330 1.00 12.44 H new ATOM 0 HD11 LEU X 98 -15.439 2.990 -0.297 1.00 73.22 H new ATOM 0 HD12 LEU X 98 -15.422 4.714 0.144 1.00 73.22 H new ATOM 0 HD13 LEU X 98 -16.950 3.802 0.178 1.00 73.22 H new ATOM 0 HD21 LEU X 98 -16.494 2.255 -2.433 1.00 2.34 H new ATOM 0 HD22 LEU X 98 -18.007 3.054 -1.943 1.00 2.34 H new ATOM 0 HD23 LEU X 98 -17.257 3.450 -3.508 1.00 2.34 H new ATOM 1702 N GLU X 99 -17.844 8.436 -2.959 1.00 14.35 N ATOM 1703 CA GLU X 99 -18.797 9.590 -2.981 1.00 3.22 C ATOM 1704 C GLU X 99 -19.221 9.896 -4.419 1.00 21.54 C ATOM 1705 O GLU X 99 -20.355 10.244 -4.681 1.00 51.21 O ATOM 1706 CB GLU X 99 -18.108 10.828 -2.397 1.00 41.04 C ATOM 1707 CG GLU X 99 -19.111 11.982 -2.305 1.00 60.54 C ATOM 1708 CD GLU X 99 -20.206 11.628 -1.292 1.00 62.22 C ATOM 1709 OE1 GLU X 99 -19.954 10.784 -0.449 1.00 53.14 O ATOM 1710 OE2 GLU X 99 -21.278 12.206 -1.378 1.00 11.11 O ATOM 0 H GLU X 99 -16.896 8.665 -2.659 1.00 14.35 H new ATOM 0 HA GLU X 99 -19.676 9.333 -2.390 1.00 3.22 H new ATOM 0 HB2 GLU X 99 -17.708 10.601 -1.409 1.00 41.04 H new ATOM 0 HB3 GLU X 99 -17.264 11.116 -3.024 1.00 41.04 H new ATOM 0 HG2 GLU X 99 -18.602 12.897 -2.002 1.00 60.54 H new ATOM 0 HG3 GLU X 99 -19.553 12.172 -3.283 1.00 60.54 H new ATOM 1717 N GLU X 100 -18.312 9.788 -5.349 1.00 61.42 N ATOM 1718 CA GLU X 100 -18.654 10.096 -6.767 1.00 12.32 C ATOM 1719 C GLU X 100 -19.524 8.981 -7.364 1.00 22.21 C ATOM 1720 O GLU X 100 -20.191 9.174 -8.360 1.00 2.34 O ATOM 1721 CB GLU X 100 -17.361 10.251 -7.572 1.00 31.35 C ATOM 1722 CG GLU X 100 -17.032 8.950 -8.315 1.00 22.13 C ATOM 1723 CD GLU X 100 -17.859 8.868 -9.600 1.00 62.51 C ATOM 1724 OE1 GLU X 100 -18.061 9.899 -10.218 1.00 61.44 O ATOM 1725 OE2 GLU X 100 -18.271 7.774 -9.946 1.00 22.23 O ATOM 0 H GLU X 100 -17.347 9.500 -5.188 1.00 61.42 H new ATOM 0 HA GLU X 100 -19.221 11.026 -6.808 1.00 12.32 H new ATOM 0 HB2 GLU X 100 -17.466 11.068 -8.286 1.00 31.35 H new ATOM 0 HB3 GLU X 100 -16.540 10.514 -6.905 1.00 31.35 H new ATOM 0 HG2 GLU X 100 -15.969 8.914 -8.552 1.00 22.13 H new ATOM 0 HG3 GLU X 100 -17.246 8.092 -7.678 1.00 22.13 H new ATOM 1732 N THR X 101 -19.537 7.826 -6.756 1.00 61.24 N ATOM 1733 CA THR X 101 -20.385 6.721 -7.283 1.00 12.42 C ATOM 1734 C THR X 101 -21.807 6.865 -6.723 1.00 22.32 C ATOM 1735 O THR X 101 -22.773 6.456 -7.337 1.00 34.52 O ATOM 1736 CB THR X 101 -19.803 5.378 -6.848 1.00 52.25 C ATOM 1737 OG1 THR X 101 -19.377 5.468 -5.495 1.00 14.03 O ATOM 1738 CG2 THR X 101 -18.612 5.021 -7.738 1.00 61.11 C ATOM 0 H THR X 101 -18.998 7.601 -5.920 1.00 61.24 H new ATOM 0 HA THR X 101 -20.411 6.768 -8.372 1.00 12.42 H new ATOM 0 HB THR X 101 -20.564 4.604 -6.941 1.00 52.25 H new ATOM 0 HG1 THR X 101 -19.891 6.165 -5.036 1.00 14.03 H new ATOM 0 HG21 THR X 101 -18.199 4.062 -7.425 1.00 61.11 H new ATOM 0 HG22 THR X 101 -18.940 4.954 -8.775 1.00 61.11 H new ATOM 0 HG23 THR X 101 -17.847 5.792 -7.649 1.00 61.11 H new ATOM 1746 N LEU X 102 -21.941 7.455 -5.564 1.00 21.54 N ATOM 1747 CA LEU X 102 -23.297 7.643 -4.968 1.00 51.35 C ATOM 1748 C LEU X 102 -24.000 8.814 -5.668 1.00 34.15 C ATOM 1749 O LEU X 102 -25.213 8.871 -5.736 1.00 25.44 O ATOM 1750 CB LEU X 102 -23.170 7.944 -3.469 1.00 11.21 C ATOM 1751 CG LEU X 102 -22.560 6.737 -2.747 1.00 63.43 C ATOM 1752 CD1 LEU X 102 -22.298 7.091 -1.285 1.00 31.43 C ATOM 1753 CD2 LEU X 102 -23.540 5.558 -2.809 1.00 42.04 C ATOM 0 H LEU X 102 -21.169 7.815 -5.004 1.00 21.54 H new ATOM 0 HA LEU X 102 -23.880 6.732 -5.101 1.00 51.35 H new ATOM 0 HB2 LEU X 102 -22.545 8.824 -3.317 1.00 11.21 H new ATOM 0 HB3 LEU X 102 -24.150 8.173 -3.050 1.00 11.21 H new ATOM 0 HG LEU X 102 -21.622 6.465 -3.231 1.00 63.43 H new ATOM 0 HD11 LEU X 102 -21.864 6.231 -0.774 1.00 31.43 H new ATOM 0 HD12 LEU X 102 -21.606 7.931 -1.233 1.00 31.43 H new ATOM 0 HD13 LEU X 102 -23.237 7.364 -0.803 1.00 31.43 H new ATOM 0 HD21 LEU X 102 -23.108 4.699 -2.296 1.00 42.04 H new ATOM 0 HD22 LEU X 102 -24.476 5.837 -2.325 1.00 42.04 H new ATOM 0 HD23 LEU X 102 -23.733 5.300 -3.850 1.00 42.04 H new ATOM 1765 N GLU X 103 -23.247 9.740 -6.198 1.00 4.00 N ATOM 1766 CA GLU X 103 -23.855 10.916 -6.893 1.00 23.43 C ATOM 1767 C GLU X 103 -24.228 10.532 -8.327 1.00 3.04 C ATOM 1768 O GLU X 103 -24.956 11.229 -9.010 1.00 71.20 O ATOM 1769 CB GLU X 103 -22.824 12.041 -6.962 1.00 51.34 C ATOM 1770 CG GLU X 103 -22.540 12.590 -5.565 1.00 51.21 C ATOM 1771 CD GLU X 103 -21.453 13.660 -5.665 1.00 21.11 C ATOM 1772 OE1 GLU X 103 -20.517 13.460 -6.419 1.00 62.22 O ATOM 1773 OE2 GLU X 103 -21.575 14.663 -4.982 1.00 13.43 O ATOM 0 H GLU X 103 -22.227 9.734 -6.180 1.00 4.00 H new ATOM 0 HA GLU X 103 -24.742 11.235 -6.345 1.00 23.43 H new ATOM 0 HB2 GLU X 103 -21.901 11.670 -7.408 1.00 51.34 H new ATOM 0 HB3 GLU X 103 -23.191 12.840 -7.606 1.00 51.34 H new ATOM 0 HG2 GLU X 103 -23.448 13.014 -5.135 1.00 51.21 H new ATOM 0 HG3 GLU X 103 -22.218 11.787 -4.902 1.00 51.21 H new ATOM 1780 N HIS X 104 -23.717 9.421 -8.775 1.00 14.22 N ATOM 1781 CA HIS X 104 -24.004 8.948 -10.159 1.00 20.33 C ATOM 1782 C HIS X 104 -25.318 8.181 -10.151 1.00 24.20 C ATOM 1783 O HIS X 104 -25.327 7.074 -9.617 1.00 0.00 O ATOM 1784 CB HIS X 104 -22.873 8.023 -10.642 1.00 12.13 C ATOM 1785 CG HIS X 104 -23.059 7.703 -12.107 1.00 24.42 C ATOM 1786 ND1 HIS X 104 -22.943 8.668 -13.100 1.00 14.11 N ATOM 1787 CD2 HIS X 104 -23.388 6.536 -12.760 1.00 75.42 C ATOM 1788 CE1 HIS X 104 -23.205 8.073 -14.279 1.00 41.30 C ATOM 1789 NE2 HIS X 104 -23.483 6.779 -14.126 1.00 44.03 N ATOM 1790 OXT HIS X 104 -26.293 8.706 -10.685 1.00 0.00 O ATOM 0 H HIS X 104 -23.104 8.811 -8.234 1.00 14.22 H new ATOM 0 HA HIS X 104 -24.073 9.803 -10.832 1.00 20.33 H new ATOM 0 HB2 HIS X 104 -21.907 8.503 -10.486 1.00 12.13 H new ATOM 0 HB3 HIS X 104 -22.870 7.103 -10.058 1.00 12.13 H new ATOM 0 HD2 HIS X 104 -23.548 5.580 -12.285 1.00 75.42 H new ATOM 0 HE1 HIS X 104 -23.191 8.582 -15.231 1.00 41.30 H new ATOM 0 HE2 HIS X 104 -23.717 6.107 -14.857 1.00 44.03 H new TER 1799 HIS X 104 HETATM 1800 C1 TSA X 501 -5.078 0.839 3.106 1.00 32.37 C HETATM 1801 C2 TSA X 501 -5.178 0.269 4.527 1.00 32.49 C HETATM 1802 C3 TSA X 501 -6.344 0.360 5.198 1.00 33.06 C HETATM 1803 C4 TSA X 501 -7.478 1.313 4.839 1.00 31.51 C HETATM 1804 O5 TSA X 501 -7.397 2.403 5.733 1.00 32.28 O HETATM 1805 C5 TSA X 501 -7.349 1.911 3.394 1.00 31.33 C HETATM 1806 C6 TSA X 501 -5.852 2.172 3.097 1.00 33.70 C HETATM 1807 O7 TSA X 501 -7.851 1.051 2.383 1.00 32.90 O HETATM 1808 C8 TSA X 501 -7.198 -0.138 1.935 1.00 33.66 C HETATM 1809 C9 TSA X 501 -5.677 0.012 1.936 1.00 29.99 C HETATM 1810 C10 TSA X 501 -3.620 0.929 2.626 1.00 32.05 C HETATM 1811 O1 TSA X 501 -3.243 2.001 2.132 1.00 32.04 O HETATM 1812 O2 TSA X 501 -2.865 -0.055 2.735 1.00 32.31 O HETATM 1813 C11 TSA X 501 -7.609 -1.337 2.789 1.00 36.08 C HETATM 1814 O3 TSA X 501 -6.906 -2.365 2.885 1.00 36.14 O HETATM 1815 O4 TSA X 501 -8.691 -1.216 3.376 1.00 39.20 O HETATM 0 HO5 TSA X 501 -6.475 2.733 5.763 1.00 32.28 H new HETATM 0 H92 TSA X 501 -5.376 0.477 0.997 1.00 29.99 H new HETATM 0 H91 TSA X 501 -5.233 -0.983 1.956 1.00 29.99 H new HETATM 0 H8 TSA X 501 -7.515 -0.310 0.906 1.00 33.66 H new HETATM 0 H62 TSA X 501 -5.436 2.849 3.843 1.00 33.70 H new HETATM 0 H61 TSA X 501 -5.744 2.660 2.128 1.00 33.70 H new HETATM 0 H5 TSA X 501 -7.942 2.825 3.375 1.00 31.33 H new HETATM 0 H4 TSA X 501 -8.413 0.755 4.894 1.00 31.51 H new HETATM 0 H3 TSA X 501 -6.486 -0.294 6.058 1.00 33.06 H new HETATM 0 H2 TSA X 501 -4.313 -0.206 4.990 1.00 32.49 H new