USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=23 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 91 LYS NZ :NH3+ -130:sc= -2.56 (180deg=-7.23!) USER MOD Set 1.2: X 501 TSA O5 : rot -50:sc= -0.33 USER MOD Set 2.1: X 90 ASN :FLIP amide:sc= -9.58! C(o=-18!,f=-17!) USER MOD Set 2.2: X 94 GLN :FLIP amide:sc= -7.72! C(o=-20!,f=-17!) USER MOD Set 3.1: X 62 TYR OH : rot 36:sc= 0.336 USER MOD Set 3.2: X 84 GLN : amide:sc= 0.778 K(o=1.1,f=-2.5) USER MOD Single : X 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : X 1 MET N :NH3+ -163:sc= -0.0237 (180deg=-0.327) USER MOD Single : X 4 LYS NZ :NH3+ -166:sc= -0.0017 (180deg=-0.189) USER MOD Single : X 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 11 LYS NZ :NH3+ -108:sc= -1.14 (180deg=-4.71!) USER MOD Single : X 17 ASN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : X 18 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00577) USER MOD Single : X 21 LYS NZ :NH3+ -167:sc= -4.4! (180deg=-5.41!) USER MOD Single : X 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 35 ASN : amide:sc= -3.12! C(o=-3.1!,f=-6.1!) USER MOD Single : X 36 SER OG : rot 180:sc= -0.654 USER MOD Single : X 39 LYS NZ :NH3+ 144:sc= -0.142 (180deg=-1.1) USER MOD Single : X 45 LYS NZ :NH3+ -133:sc= 0.765 (180deg=-0.23) USER MOD Single : X 46 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : X 47 GLN :FLIP amide:sc= -0.134 F(o=-1.5!,f=-0.13) USER MOD Single : X 53 ASN :FLIP amide:sc= -1.47 F(o=-6.9!,f=-1.5) USER MOD Single : X 59 LYS NZ :NH3+ 155:sc= -0.0974 (180deg=-0.809) USER MOD Single : X 60 TYR OH : rot 180:sc= 0.0961 USER MOD Single : X 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 69 CYS SG : rot -79:sc= -2.98! USER MOD Single : X 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 72 HIS : no HD1:sc= -15! C(o=-15!,f=-24!) USER MOD Single : X 73 ASN :FLIP amide:sc= -0.548! F(o=-1.3,f=-0.55!) USER MOD Single : X 77 ASN : amide:sc= -0.189 K(o=-0.19,f=-3.7!) USER MOD Single : X 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 89 HIS : no HE2:sc= -7.36! C(o=-7.4!,f=-16!) USER MOD Single : X 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 96 GLN : amide:sc= -0.289 X(o=-0.29,f=-0.22) USER MOD Single : X 97 TYR OH : rot 180:sc= -0.296 USER MOD Single : X 101 THR OG1 : rot 19:sc= 0.00553 USER MOD Single : X 104 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 -16.019 -13.463 -0.655 1.00 5.23 N ATOM 2 CA MET X 1 -16.283 -12.936 0.714 1.00 13.21 C ATOM 3 C MET X 1 -14.952 -12.542 1.362 1.00 1.52 C ATOM 4 O MET X 1 -14.227 -13.375 1.869 1.00 71.25 O ATOM 5 CB MET X 1 -16.967 -14.020 1.555 1.00 34.01 C ATOM 6 CG MET X 1 -18.382 -14.282 1.021 1.00 33.13 C ATOM 7 SD MET X 1 -19.167 -15.589 1.998 1.00 63.13 S ATOM 8 CE MET X 1 -19.808 -14.543 3.329 1.00 62.43 C ATOM 0 H1 MET X 1 -16.902 -13.462 -1.204 1.00 5.23 H new ATOM 0 H2 MET X 1 -15.316 -12.861 -1.129 1.00 5.23 H new ATOM 0 H3 MET X 1 -15.654 -14.435 -0.589 1.00 5.23 H new ATOM 0 HA MET X 1 -16.934 -12.064 0.656 1.00 13.21 H new ATOM 0 HB2 MET X 1 -16.382 -14.939 1.525 1.00 34.01 H new ATOM 0 HB3 MET X 1 -17.015 -13.707 2.598 1.00 34.01 H new ATOM 0 HG2 MET X 1 -18.976 -13.369 1.072 1.00 33.13 H new ATOM 0 HG3 MET X 1 -18.337 -14.575 -0.028 1.00 33.13 H new ATOM 0 HE1 MET X 1 -20.337 -15.161 4.054 1.00 62.43 H new ATOM 0 HE2 MET X 1 -18.980 -14.033 3.822 1.00 62.43 H new ATOM 0 HE3 MET X 1 -20.493 -13.804 2.913 1.00 62.43 H new ATOM 20 N ILE X 2 -14.632 -11.277 1.354 1.00 52.44 N ATOM 21 CA ILE X 2 -13.354 -10.823 1.975 1.00 43.30 C ATOM 22 C ILE X 2 -12.178 -11.516 1.278 1.00 61.41 C ATOM 23 O ILE X 2 -11.033 -11.150 1.457 1.00 51.22 O ATOM 24 CB ILE X 2 -13.357 -11.187 3.463 1.00 13.45 C ATOM 25 CG1 ILE X 2 -14.552 -10.517 4.149 1.00 22.45 C ATOM 26 CG2 ILE X 2 -12.059 -10.706 4.114 1.00 4.24 C ATOM 27 CD1 ILE X 2 -14.734 -11.097 5.554 1.00 43.01 C ATOM 0 H ILE X 2 -15.201 -10.537 0.944 1.00 52.44 H new ATOM 0 HA ILE X 2 -13.255 -9.743 1.866 1.00 43.30 H new ATOM 0 HB ILE X 2 -13.434 -12.269 3.570 1.00 13.45 H new ATOM 0 HG12 ILE X 2 -14.393 -9.440 4.208 1.00 22.45 H new ATOM 0 HG13 ILE X 2 -15.456 -10.674 3.561 1.00 22.45 H new ATOM 0 HG21 ILE X 2 -12.064 -10.967 5.172 1.00 4.24 H new ATOM 0 HG22 ILE X 2 -11.209 -11.184 3.627 1.00 4.24 H new ATOM 0 HG23 ILE X 2 -11.977 -9.624 4.007 1.00 4.24 H new ATOM 0 HD11 ILE X 2 -15.585 -10.618 6.038 1.00 43.01 H new ATOM 0 HD12 ILE X 2 -14.913 -12.170 5.484 1.00 43.01 H new ATOM 0 HD13 ILE X 2 -13.834 -10.917 6.141 1.00 43.01 H new ATOM 39 N GLU X 3 -12.453 -12.515 0.478 1.00 4.02 N ATOM 40 CA GLU X 3 -11.356 -13.229 -0.242 1.00 64.43 C ATOM 41 C GLU X 3 -10.690 -12.274 -1.239 1.00 44.52 C ATOM 42 O GLU X 3 -9.481 -12.191 -1.321 1.00 45.41 O ATOM 43 CB GLU X 3 -11.944 -14.422 -1.000 1.00 74.44 C ATOM 44 CG GLU X 3 -12.405 -15.493 -0.008 1.00 61.30 C ATOM 45 CD GLU X 3 -13.078 -16.640 -0.762 1.00 44.21 C ATOM 46 OE1 GLU X 3 -13.163 -16.557 -1.975 1.00 5.25 O ATOM 47 OE2 GLU X 3 -13.496 -17.584 -0.112 1.00 32.24 O ATOM 0 H GLU X 3 -13.392 -12.867 0.292 1.00 4.02 H new ATOM 0 HA GLU X 3 -10.615 -13.578 0.477 1.00 64.43 H new ATOM 0 HB2 GLU X 3 -12.784 -14.096 -1.613 1.00 74.44 H new ATOM 0 HB3 GLU X 3 -11.198 -14.838 -1.677 1.00 74.44 H new ATOM 0 HG2 GLU X 3 -11.553 -15.868 0.559 1.00 61.30 H new ATOM 0 HG3 GLU X 3 -13.100 -15.061 0.711 1.00 61.30 H new ATOM 54 N LYS X 4 -11.475 -11.557 -1.996 1.00 52.15 N ATOM 55 CA LYS X 4 -10.901 -10.604 -2.992 1.00 51.42 C ATOM 56 C LYS X 4 -10.115 -9.503 -2.264 1.00 14.52 C ATOM 57 O LYS X 4 -9.058 -9.088 -2.699 1.00 43.43 O ATOM 58 CB LYS X 4 -12.045 -9.975 -3.801 1.00 63.21 C ATOM 59 CG LYS X 4 -12.701 -11.044 -4.686 1.00 64.34 C ATOM 60 CD LYS X 4 -13.854 -10.417 -5.481 1.00 64.45 C ATOM 61 CE LYS X 4 -14.539 -11.490 -6.332 1.00 62.12 C ATOM 62 NZ LYS X 4 -13.622 -11.922 -7.428 1.00 55.51 N ATOM 0 H LYS X 4 -12.494 -11.590 -1.968 1.00 52.15 H new ATOM 0 HA LYS X 4 -10.227 -11.137 -3.663 1.00 51.42 H new ATOM 0 HB2 LYS X 4 -12.785 -9.543 -3.127 1.00 63.21 H new ATOM 0 HB3 LYS X 4 -11.663 -9.162 -4.419 1.00 63.21 H new ATOM 0 HG2 LYS X 4 -11.964 -11.468 -5.368 1.00 64.34 H new ATOM 0 HG3 LYS X 4 -13.073 -11.862 -4.070 1.00 64.34 H new ATOM 0 HD2 LYS X 4 -14.575 -9.965 -4.799 1.00 64.45 H new ATOM 0 HD3 LYS X 4 -13.476 -9.619 -6.120 1.00 64.45 H new ATOM 0 HE2 LYS X 4 -14.807 -12.345 -5.711 1.00 62.12 H new ATOM 0 HE3 LYS X 4 -15.465 -11.098 -6.752 1.00 62.12 H new ATOM 0 HZ1 LYS X 4 -14.158 -12.463 -8.136 1.00 55.51 H new ATOM 0 HZ2 LYS X 4 -13.201 -11.085 -7.878 1.00 55.51 H new ATOM 0 HZ3 LYS X 4 -12.867 -12.520 -7.034 1.00 55.51 H new ATOM 76 N LEU X 5 -10.627 -9.027 -1.159 1.00 23.41 N ATOM 77 CA LEU X 5 -9.928 -7.953 -0.390 1.00 62.04 C ATOM 78 C LEU X 5 -8.559 -8.458 0.073 1.00 43.34 C ATOM 79 O LEU X 5 -7.611 -7.706 0.187 1.00 44.02 O ATOM 80 CB LEU X 5 -10.786 -7.600 0.830 1.00 62.32 C ATOM 81 CG LEU X 5 -10.170 -6.438 1.614 1.00 22.32 C ATOM 82 CD1 LEU X 5 -11.290 -5.528 2.126 1.00 51.13 C ATOM 83 CD2 LEU X 5 -9.389 -6.986 2.813 1.00 34.41 C ATOM 0 H LEU X 5 -11.509 -9.339 -0.752 1.00 23.41 H new ATOM 0 HA LEU X 5 -9.785 -7.073 -1.018 1.00 62.04 H new ATOM 0 HB2 LEU X 5 -11.792 -7.333 0.507 1.00 62.32 H new ATOM 0 HB3 LEU X 5 -10.880 -8.472 1.478 1.00 62.32 H new ATOM 0 HG LEU X 5 -9.499 -5.877 0.964 1.00 22.32 H new ATOM 0 HD11 LEU X 5 -10.858 -4.698 2.685 1.00 51.13 H new ATOM 0 HD12 LEU X 5 -11.858 -5.139 1.281 1.00 51.13 H new ATOM 0 HD13 LEU X 5 -11.953 -6.098 2.777 1.00 51.13 H new ATOM 0 HD21 LEU X 5 -8.951 -6.158 3.371 1.00 34.41 H new ATOM 0 HD22 LEU X 5 -10.064 -7.544 3.462 1.00 34.41 H new ATOM 0 HD23 LEU X 5 -8.596 -7.646 2.460 1.00 34.41 H new ATOM 95 N ALA X 6 -8.456 -9.729 0.345 1.00 2.22 N ATOM 96 CA ALA X 6 -7.162 -10.298 0.820 1.00 51.22 C ATOM 97 C ALA X 6 -6.156 -10.394 -0.335 1.00 72.23 C ATOM 98 O ALA X 6 -5.094 -9.807 -0.291 1.00 52.14 O ATOM 99 CB ALA X 6 -7.407 -11.699 1.383 1.00 71.23 C ATOM 0 H ALA X 6 -9.217 -10.403 0.258 1.00 2.22 H new ATOM 0 HA ALA X 6 -6.754 -9.644 1.590 1.00 51.22 H new ATOM 0 HB1 ALA X 6 -6.464 -12.121 1.732 1.00 71.23 H new ATOM 0 HB2 ALA X 6 -8.108 -11.639 2.215 1.00 71.23 H new ATOM 0 HB3 ALA X 6 -7.823 -12.337 0.603 1.00 71.23 H new ATOM 105 N GLU X 7 -6.475 -11.139 -1.359 1.00 41.10 N ATOM 106 CA GLU X 7 -5.523 -11.284 -2.499 1.00 41.35 C ATOM 107 C GLU X 7 -5.129 -9.901 -3.029 1.00 43.42 C ATOM 108 O GLU X 7 -4.002 -9.677 -3.426 1.00 11.00 O ATOM 109 CB GLU X 7 -6.185 -12.085 -3.620 1.00 33.42 C ATOM 110 CG GLU X 7 -6.431 -13.522 -3.152 1.00 64.12 C ATOM 111 CD GLU X 7 -5.093 -14.243 -2.978 1.00 4.53 C ATOM 112 OE1 GLU X 7 -4.083 -13.678 -3.364 1.00 54.31 O ATOM 113 OE2 GLU X 7 -5.101 -15.349 -2.462 1.00 73.02 O ATOM 0 H GLU X 7 -7.351 -11.652 -1.456 1.00 41.10 H new ATOM 0 HA GLU X 7 -4.630 -11.805 -2.153 1.00 41.35 H new ATOM 0 HB2 GLU X 7 -7.128 -11.619 -3.905 1.00 33.42 H new ATOM 0 HB3 GLU X 7 -5.549 -12.084 -4.505 1.00 33.42 H new ATOM 0 HG2 GLU X 7 -6.979 -13.519 -2.210 1.00 64.12 H new ATOM 0 HG3 GLU X 7 -7.048 -14.051 -3.878 1.00 64.12 H new ATOM 120 N ILE X 8 -6.049 -8.975 -3.047 1.00 32.53 N ATOM 121 CA ILE X 8 -5.731 -7.612 -3.567 1.00 75.11 C ATOM 122 C ILE X 8 -4.660 -6.956 -2.685 1.00 54.43 C ATOM 123 O ILE X 8 -3.704 -6.387 -3.176 1.00 24.33 O ATOM 124 CB ILE X 8 -6.992 -6.753 -3.538 1.00 31.11 C ATOM 125 CG1 ILE X 8 -7.958 -7.214 -4.633 1.00 1.40 C ATOM 126 CG2 ILE X 8 -6.615 -5.290 -3.773 1.00 51.31 C ATOM 127 CD1 ILE X 8 -9.330 -6.570 -4.413 1.00 75.31 C ATOM 0 H ILE X 8 -7.008 -9.102 -2.724 1.00 32.53 H new ATOM 0 HA ILE X 8 -5.361 -7.696 -4.589 1.00 75.11 H new ATOM 0 HB ILE X 8 -7.476 -6.855 -2.567 1.00 31.11 H new ATOM 0 HG12 ILE X 8 -7.569 -6.940 -5.614 1.00 1.40 H new ATOM 0 HG13 ILE X 8 -8.048 -8.300 -4.618 1.00 1.40 H new ATOM 0 HG21 ILE X 8 -7.514 -4.675 -3.753 1.00 51.31 H new ATOM 0 HG22 ILE X 8 -5.932 -4.960 -2.990 1.00 51.31 H new ATOM 0 HG23 ILE X 8 -6.129 -5.191 -4.744 1.00 51.31 H new ATOM 0 HD11 ILE X 8 -10.016 -6.899 -5.193 1.00 75.31 H new ATOM 0 HD12 ILE X 8 -9.719 -6.867 -3.439 1.00 75.31 H new ATOM 0 HD13 ILE X 8 -9.233 -5.485 -4.450 1.00 75.31 H new ATOM 139 N ARG X 9 -4.815 -7.028 -1.390 1.00 10.22 N ATOM 140 CA ARG X 9 -3.820 -6.390 -0.483 1.00 52.14 C ATOM 141 C ARG X 9 -2.485 -7.146 -0.582 1.00 22.52 C ATOM 142 O ARG X 9 -1.431 -6.610 -0.290 1.00 14.14 O ATOM 143 CB ARG X 9 -4.355 -6.422 0.955 1.00 14.43 C ATOM 144 CG ARG X 9 -5.497 -5.402 1.097 1.00 41.23 C ATOM 145 CD ARG X 9 -5.857 -5.240 2.574 1.00 21.02 C ATOM 146 NE ARG X 9 -6.904 -4.177 2.737 1.00 23.31 N ATOM 147 CZ ARG X 9 -7.529 -4.052 3.881 1.00 73.25 C ATOM 148 NH1 ARG X 9 -7.401 -4.976 4.795 1.00 14.21 N ATOM 149 NH2 ARG X 9 -8.343 -3.048 4.082 1.00 51.23 N ATOM 0 H ARG X 9 -5.588 -7.501 -0.922 1.00 10.22 H new ATOM 0 HA ARG X 9 -3.657 -5.352 -0.774 1.00 52.14 H new ATOM 0 HB2 ARG X 9 -4.713 -7.422 1.199 1.00 14.43 H new ATOM 0 HB3 ARG X 9 -3.555 -6.189 1.658 1.00 14.43 H new ATOM 0 HG2 ARG X 9 -5.195 -4.442 0.678 1.00 41.23 H new ATOM 0 HG3 ARG X 9 -6.369 -5.736 0.534 1.00 41.23 H new ATOM 0 HD2 ARG X 9 -6.223 -6.186 2.973 1.00 21.02 H new ATOM 0 HD3 ARG X 9 -4.968 -4.976 3.146 1.00 21.02 H new ATOM 0 HE ARG X 9 -7.128 -3.555 1.960 1.00 23.31 H new ATOM 0 HH11 ARG X 9 -6.816 -5.792 4.617 1.00 14.21 H new ATOM 0 HH12 ARG X 9 -7.886 -4.882 5.687 1.00 14.21 H new ATOM 0 HH21 ARG X 9 -8.493 -2.358 3.346 1.00 51.23 H new ATOM 0 HH22 ARG X 9 -8.827 -2.955 4.975 1.00 51.23 H new ATOM 163 N LYS X 10 -2.517 -8.380 -1.014 1.00 74.42 N ATOM 164 CA LYS X 10 -1.251 -9.148 -1.189 1.00 44.25 C ATOM 165 C LYS X 10 -0.489 -8.549 -2.374 1.00 60.44 C ATOM 166 O LYS X 10 0.728 -8.514 -2.390 1.00 43.15 O ATOM 167 CB LYS X 10 -1.583 -10.625 -1.463 1.00 52.12 C ATOM 168 CG LYS X 10 -2.086 -11.295 -0.174 1.00 52.31 C ATOM 169 CD LYS X 10 -2.265 -12.797 -0.414 1.00 63.24 C ATOM 170 CE LYS X 10 -2.790 -13.464 0.861 1.00 55.55 C ATOM 171 NZ LYS X 10 -2.932 -14.932 0.634 1.00 1.32 N ATOM 0 H LYS X 10 -3.368 -8.889 -1.253 1.00 74.42 H new ATOM 0 HA LYS X 10 -0.639 -9.090 -0.289 1.00 44.25 H new ATOM 0 HB2 LYS X 10 -2.342 -10.698 -2.242 1.00 52.12 H new ATOM 0 HB3 LYS X 10 -0.698 -11.144 -1.832 1.00 52.12 H new ATOM 0 HG2 LYS X 10 -1.376 -11.128 0.636 1.00 52.31 H new ATOM 0 HG3 LYS X 10 -3.032 -10.850 0.134 1.00 52.31 H new ATOM 0 HD2 LYS X 10 -2.961 -12.963 -1.236 1.00 63.24 H new ATOM 0 HD3 LYS X 10 -1.315 -13.244 -0.705 1.00 63.24 H new ATOM 0 HE2 LYS X 10 -2.106 -13.278 1.689 1.00 55.55 H new ATOM 0 HE3 LYS X 10 -3.752 -13.034 1.139 1.00 55.55 H new ATOM 0 HZ1 LYS X 10 -3.288 -15.384 1.500 1.00 1.32 H new ATOM 0 HZ2 LYS X 10 -3.601 -15.100 -0.145 1.00 1.32 H new ATOM 0 HZ3 LYS X 10 -2.006 -15.336 0.388 1.00 1.32 H new ATOM 185 N LYS X 11 -1.199 -8.057 -3.359 1.00 31.31 N ATOM 186 CA LYS X 11 -0.523 -7.406 -4.519 1.00 5.35 C ATOM 187 C LYS X 11 0.270 -6.209 -3.995 1.00 41.13 C ATOM 188 O LYS X 11 1.389 -5.961 -4.401 1.00 14.40 O ATOM 189 CB LYS X 11 -1.569 -6.928 -5.540 1.00 45.03 C ATOM 190 CG LYS X 11 -2.509 -8.082 -5.912 1.00 21.24 C ATOM 191 CD LYS X 11 -3.488 -7.624 -7.001 1.00 30.51 C ATOM 192 CE LYS X 11 -2.716 -7.285 -8.278 1.00 11.34 C ATOM 193 NZ LYS X 11 -2.398 -5.826 -8.296 1.00 34.04 N ATOM 0 H LYS X 11 -2.218 -8.079 -3.408 1.00 31.31 H new ATOM 0 HA LYS X 11 0.141 -8.116 -5.012 1.00 5.35 H new ATOM 0 HB2 LYS X 11 -2.144 -6.101 -5.123 1.00 45.03 H new ATOM 0 HB3 LYS X 11 -1.071 -6.552 -6.434 1.00 45.03 H new ATOM 0 HG2 LYS X 11 -1.930 -8.935 -6.266 1.00 21.24 H new ATOM 0 HG3 LYS X 11 -3.059 -8.413 -5.031 1.00 21.24 H new ATOM 0 HD2 LYS X 11 -4.217 -8.409 -7.202 1.00 30.51 H new ATOM 0 HD3 LYS X 11 -4.046 -6.752 -6.659 1.00 30.51 H new ATOM 0 HE2 LYS X 11 -1.797 -7.869 -8.326 1.00 11.34 H new ATOM 0 HE3 LYS X 11 -3.308 -7.550 -9.154 1.00 11.34 H new ATOM 0 HZ1 LYS X 11 -2.989 -5.351 -9.008 1.00 34.04 H new ATOM 0 HZ2 LYS X 11 -2.589 -5.417 -7.359 1.00 34.04 H new ATOM 0 HZ3 LYS X 11 -1.394 -5.692 -8.534 1.00 34.04 H new ATOM 207 N ILE X 12 -0.304 -5.471 -3.078 1.00 43.21 N ATOM 208 CA ILE X 12 0.416 -4.301 -2.498 1.00 73.24 C ATOM 209 C ILE X 12 1.705 -4.800 -1.846 1.00 14.44 C ATOM 210 O ILE X 12 2.730 -4.147 -1.878 1.00 50.33 O ATOM 211 CB ILE X 12 -0.468 -3.631 -1.437 1.00 33.34 C ATOM 212 CG1 ILE X 12 -1.473 -2.686 -2.107 1.00 32.35 C ATOM 213 CG2 ILE X 12 0.406 -2.830 -0.472 1.00 70.11 C ATOM 214 CD1 ILE X 12 -2.378 -3.477 -3.052 1.00 24.34 C ATOM 0 H ILE X 12 -1.241 -5.630 -2.707 1.00 43.21 H new ATOM 0 HA ILE X 12 0.647 -3.577 -3.280 1.00 73.24 H new ATOM 0 HB ILE X 12 -1.009 -4.404 -0.891 1.00 33.34 H new ATOM 0 HG12 ILE X 12 -2.074 -2.183 -1.349 1.00 32.35 H new ATOM 0 HG13 ILE X 12 -0.944 -1.910 -2.660 1.00 32.35 H new ATOM 0 HG21 ILE X 12 -0.224 -2.355 0.280 1.00 70.11 H new ATOM 0 HG22 ILE X 12 1.115 -3.498 0.017 1.00 70.11 H new ATOM 0 HG23 ILE X 12 0.951 -2.065 -1.025 1.00 70.11 H new ATOM 0 HD11 ILE X 12 -3.090 -2.801 -3.525 1.00 24.34 H new ATOM 0 HD12 ILE X 12 -1.771 -3.959 -3.818 1.00 24.34 H new ATOM 0 HD13 ILE X 12 -2.919 -4.236 -2.487 1.00 24.34 H new ATOM 226 N ASP X 13 1.656 -5.968 -1.262 1.00 63.41 N ATOM 227 CA ASP X 13 2.865 -6.534 -0.601 1.00 21.14 C ATOM 228 C ASP X 13 4.003 -6.596 -1.621 1.00 62.13 C ATOM 229 O ASP X 13 5.132 -6.249 -1.332 1.00 30.12 O ATOM 230 CB ASP X 13 2.545 -7.945 -0.089 1.00 60.11 C ATOM 231 CG ASP X 13 3.619 -8.395 0.904 1.00 41.41 C ATOM 232 OD1 ASP X 13 3.740 -7.763 1.941 1.00 24.30 O ATOM 233 OD2 ASP X 13 4.297 -9.365 0.612 1.00 21.15 O ATOM 0 H ASP X 13 0.824 -6.557 -1.215 1.00 63.41 H new ATOM 0 HA ASP X 13 3.163 -5.907 0.239 1.00 21.14 H new ATOM 0 HB2 ASP X 13 1.567 -7.954 0.391 1.00 60.11 H new ATOM 0 HB3 ASP X 13 2.496 -8.642 -0.925 1.00 60.11 H new ATOM 238 N GLU X 14 3.712 -7.029 -2.820 1.00 22.41 N ATOM 239 CA GLU X 14 4.767 -7.094 -3.870 1.00 31.43 C ATOM 240 C GLU X 14 5.255 -5.676 -4.169 1.00 42.01 C ATOM 241 O GLU X 14 6.404 -5.458 -4.500 1.00 74.03 O ATOM 242 CB GLU X 14 4.184 -7.713 -5.145 1.00 74.51 C ATOM 243 CG GLU X 14 3.880 -9.197 -4.915 1.00 71.42 C ATOM 244 CD GLU X 14 3.233 -9.783 -6.172 1.00 4.10 C ATOM 245 OE1 GLU X 14 3.111 -9.058 -7.145 1.00 40.13 O ATOM 246 OE2 GLU X 14 2.870 -10.947 -6.140 1.00 4.10 O ATOM 0 H GLU X 14 2.787 -7.341 -3.116 1.00 22.41 H new ATOM 0 HA GLU X 14 5.598 -7.707 -3.521 1.00 31.43 H new ATOM 0 HB2 GLU X 14 3.273 -7.187 -5.431 1.00 74.51 H new ATOM 0 HB3 GLU X 14 4.889 -7.601 -5.969 1.00 74.51 H new ATOM 0 HG2 GLU X 14 4.798 -9.736 -4.680 1.00 71.42 H new ATOM 0 HG3 GLU X 14 3.214 -9.315 -4.061 1.00 71.42 H new ATOM 253 N ILE X 15 4.383 -4.707 -4.051 1.00 42.15 N ATOM 254 CA ILE X 15 4.789 -3.292 -4.307 1.00 70.32 C ATOM 255 C ILE X 15 5.531 -2.749 -3.082 1.00 52.54 C ATOM 256 O ILE X 15 6.507 -2.035 -3.199 1.00 64.24 O ATOM 257 CB ILE X 15 3.543 -2.432 -4.556 1.00 11.41 C ATOM 258 CG1 ILE X 15 3.063 -2.607 -6.001 1.00 53.34 C ATOM 259 CG2 ILE X 15 3.889 -0.963 -4.313 1.00 32.34 C ATOM 260 CD1 ILE X 15 2.259 -3.907 -6.118 1.00 64.11 C ATOM 0 H ILE X 15 3.406 -4.835 -3.788 1.00 42.15 H new ATOM 0 HA ILE X 15 5.438 -3.257 -5.182 1.00 70.32 H new ATOM 0 HB ILE X 15 2.750 -2.745 -3.877 1.00 11.41 H new ATOM 0 HG12 ILE X 15 2.447 -1.758 -6.296 1.00 53.34 H new ATOM 0 HG13 ILE X 15 3.916 -2.632 -6.679 1.00 53.34 H new ATOM 0 HG21 ILE X 15 3.007 -0.348 -4.489 1.00 32.34 H new ATOM 0 HG22 ILE X 15 4.223 -0.833 -3.284 1.00 32.34 H new ATOM 0 HG23 ILE X 15 4.685 -0.659 -4.993 1.00 32.34 H new ATOM 0 HD11 ILE X 15 1.917 -4.032 -7.145 1.00 64.11 H new ATOM 0 HD12 ILE X 15 2.890 -4.751 -5.840 1.00 64.11 H new ATOM 0 HD13 ILE X 15 1.397 -3.863 -5.452 1.00 64.11 H new ATOM 272 N ASP X 16 5.067 -3.083 -1.909 1.00 1.41 N ATOM 273 CA ASP X 16 5.726 -2.590 -0.667 1.00 14.24 C ATOM 274 C ASP X 16 7.202 -2.997 -0.675 1.00 21.12 C ATOM 275 O ASP X 16 8.083 -2.187 -0.464 1.00 55.21 O ATOM 276 CB ASP X 16 5.016 -3.199 0.548 1.00 11.34 C ATOM 277 CG ASP X 16 3.633 -2.564 0.717 1.00 20.42 C ATOM 278 OD1 ASP X 16 3.353 -1.611 0.014 1.00 21.51 O ATOM 279 OD2 ASP X 16 2.880 -3.044 1.549 1.00 52.11 O ATOM 0 H ASP X 16 4.254 -3.680 -1.757 1.00 1.41 H new ATOM 0 HA ASP X 16 5.662 -1.503 -0.616 1.00 14.24 H new ATOM 0 HB2 ASP X 16 4.917 -4.277 0.420 1.00 11.34 H new ATOM 0 HB3 ASP X 16 5.612 -3.038 1.446 1.00 11.34 H new ATOM 284 N ASN X 17 7.480 -4.250 -0.907 1.00 11.55 N ATOM 285 CA ASN X 17 8.898 -4.709 -0.959 1.00 31.14 C ATOM 286 C ASN X 17 9.606 -4.056 -2.147 1.00 52.35 C ATOM 287 O ASN X 17 10.780 -3.748 -2.091 1.00 32.13 O ATOM 288 CB ASN X 17 8.930 -6.228 -1.127 1.00 44.11 C ATOM 289 CG ASN X 17 10.363 -6.734 -0.947 1.00 61.33 C ATOM 290 OD1 ASN X 17 10.830 -6.913 0.262 1.00 45.44 O flip ATOM 291 ND2 ASN X 17 11.067 -6.976 -1.909 1.00 64.33 N flip ATOM 0 H ASN X 17 6.784 -4.979 -1.063 1.00 11.55 H new ATOM 0 HA ASN X 17 9.404 -4.428 -0.035 1.00 31.14 H new ATOM 0 HB2 ASN X 17 8.273 -6.699 -0.396 1.00 44.11 H new ATOM 0 HB3 ASN X 17 8.558 -6.503 -2.114 1.00 44.11 H new ATOM 0 HD21 ASN X 17 10.706 -6.838 -2.853 1.00 64.33 H new ATOM 0 HD22 ASN X 17 12.018 -7.317 -1.772 1.00 64.33 H new ATOM 298 N LYS X 18 8.899 -3.862 -3.229 1.00 1.21 N ATOM 299 CA LYS X 18 9.519 -3.250 -4.446 1.00 54.12 C ATOM 300 C LYS X 18 10.050 -1.847 -4.126 1.00 65.11 C ATOM 301 O LYS X 18 11.135 -1.481 -4.528 1.00 30.41 O ATOM 302 CB LYS X 18 8.458 -3.162 -5.551 1.00 42.22 C ATOM 303 CG LYS X 18 9.093 -2.701 -6.868 1.00 44.32 C ATOM 304 CD LYS X 18 8.010 -2.638 -7.954 1.00 51.33 C ATOM 305 CE LYS X 18 8.645 -2.288 -9.305 1.00 41.30 C ATOM 306 NZ LYS X 18 8.971 -0.831 -9.340 1.00 22.15 N ATOM 0 H LYS X 18 7.912 -4.102 -3.325 1.00 1.21 H new ATOM 0 HA LYS X 18 10.353 -3.868 -4.777 1.00 54.12 H new ATOM 0 HB2 LYS X 18 7.986 -4.135 -5.689 1.00 42.22 H new ATOM 0 HB3 LYS X 18 7.673 -2.466 -5.255 1.00 42.22 H new ATOM 0 HG2 LYS X 18 9.554 -1.722 -6.740 1.00 44.32 H new ATOM 0 HG3 LYS X 18 9.884 -3.390 -7.165 1.00 44.32 H new ATOM 0 HD2 LYS X 18 7.495 -3.596 -8.022 1.00 51.33 H new ATOM 0 HD3 LYS X 18 7.261 -1.891 -7.690 1.00 51.33 H new ATOM 0 HE2 LYS X 18 9.549 -2.877 -9.457 1.00 41.30 H new ATOM 0 HE3 LYS X 18 7.961 -2.538 -10.116 1.00 41.30 H new ATOM 0 HZ1 LYS X 18 9.355 -0.583 -10.274 1.00 22.15 H new ATOM 0 HZ2 LYS X 18 8.108 -0.278 -9.162 1.00 22.15 H new ATOM 0 HZ3 LYS X 18 9.677 -0.616 -8.608 1.00 22.15 H new ATOM 320 N ILE X 19 9.293 -1.053 -3.414 1.00 64.10 N ATOM 321 CA ILE X 19 9.757 0.331 -3.097 1.00 23.24 C ATOM 322 C ILE X 19 10.880 0.283 -2.054 1.00 73.11 C ATOM 323 O ILE X 19 11.726 1.154 -2.006 1.00 40.50 O ATOM 324 CB ILE X 19 8.582 1.148 -2.557 1.00 73.31 C ATOM 325 CG1 ILE X 19 9.083 2.523 -2.101 1.00 71.33 C ATOM 326 CG2 ILE X 19 7.936 0.409 -1.383 1.00 73.03 C ATOM 327 CD1 ILE X 19 9.301 2.528 -0.585 1.00 44.32 C ATOM 0 H ILE X 19 8.377 -1.301 -3.040 1.00 64.10 H new ATOM 0 HA ILE X 19 10.140 0.799 -4.004 1.00 23.24 H new ATOM 0 HB ILE X 19 7.839 1.281 -3.343 1.00 73.31 H new ATOM 0 HG12 ILE X 19 10.015 2.766 -2.611 1.00 71.33 H new ATOM 0 HG13 ILE X 19 8.360 3.291 -2.375 1.00 71.33 H new ATOM 0 HG21 ILE X 19 7.099 0.994 -1.001 1.00 73.03 H new ATOM 0 HG22 ILE X 19 7.576 -0.563 -1.719 1.00 73.03 H new ATOM 0 HG23 ILE X 19 8.672 0.269 -0.592 1.00 73.03 H new ATOM 0 HD11 ILE X 19 9.657 3.510 -0.272 1.00 44.32 H new ATOM 0 HD12 ILE X 19 8.360 2.305 -0.081 1.00 44.32 H new ATOM 0 HD13 ILE X 19 10.041 1.773 -0.321 1.00 44.32 H new ATOM 339 N LEU X 20 10.904 -0.728 -1.228 1.00 24.32 N ATOM 340 CA LEU X 20 11.985 -0.826 -0.205 1.00 24.32 C ATOM 341 C LEU X 20 13.295 -1.216 -0.901 1.00 3.21 C ATOM 342 O LEU X 20 14.373 -0.929 -0.420 1.00 52.12 O ATOM 343 CB LEU X 20 11.627 -1.902 0.825 1.00 61.32 C ATOM 344 CG LEU X 20 10.478 -1.427 1.722 1.00 52.11 C ATOM 345 CD1 LEU X 20 10.038 -2.582 2.622 1.00 42.33 C ATOM 346 CD2 LEU X 20 10.942 -0.259 2.597 1.00 1.53 C ATOM 0 H LEU X 20 10.224 -1.488 -1.217 1.00 24.32 H new ATOM 0 HA LEU X 20 12.097 0.134 0.299 1.00 24.32 H new ATOM 0 HB2 LEU X 20 11.341 -2.822 0.314 1.00 61.32 H new ATOM 0 HB3 LEU X 20 12.500 -2.134 1.435 1.00 61.32 H new ATOM 0 HG LEU X 20 9.647 -1.098 1.097 1.00 52.11 H new ATOM 0 HD11 LEU X 20 9.221 -2.252 3.264 1.00 42.33 H new ATOM 0 HD12 LEU X 20 9.702 -3.416 2.006 1.00 42.33 H new ATOM 0 HD13 LEU X 20 10.877 -2.902 3.239 1.00 42.33 H new ATOM 0 HD21 LEU X 20 10.118 0.071 3.230 1.00 1.53 H new ATOM 0 HD22 LEU X 20 11.774 -0.581 3.223 1.00 1.53 H new ATOM 0 HD23 LEU X 20 11.264 0.566 1.962 1.00 1.53 H new ATOM 358 N LYS X 21 13.208 -1.875 -2.029 1.00 51.41 N ATOM 359 CA LYS X 21 14.446 -2.308 -2.743 1.00 23.32 C ATOM 360 C LYS X 21 14.296 -2.025 -4.240 1.00 41.24 C ATOM 361 O LYS X 21 13.293 -2.351 -4.845 1.00 12.12 O ATOM 362 CB LYS X 21 14.668 -3.809 -2.525 1.00 1.20 C ATOM 363 CG LYS X 21 15.978 -4.248 -3.194 1.00 45.32 C ATOM 364 CD LYS X 21 16.227 -5.733 -2.917 1.00 53.01 C ATOM 365 CE LYS X 21 17.553 -6.163 -3.554 1.00 14.11 C ATOM 366 NZ LYS X 21 17.814 -7.598 -3.251 1.00 3.33 N ATOM 0 H LYS X 21 12.333 -2.132 -2.486 1.00 51.41 H new ATOM 0 HA LYS X 21 15.301 -1.757 -2.352 1.00 23.32 H new ATOM 0 HB2 LYS X 21 14.703 -4.029 -1.458 1.00 1.20 H new ATOM 0 HB3 LYS X 21 13.832 -4.373 -2.939 1.00 1.20 H new ATOM 0 HG2 LYS X 21 15.925 -4.073 -4.268 1.00 45.32 H new ATOM 0 HG3 LYS X 21 16.809 -3.653 -2.814 1.00 45.32 H new ATOM 0 HD2 LYS X 21 16.254 -5.913 -1.842 1.00 53.01 H new ATOM 0 HD3 LYS X 21 15.409 -6.330 -3.320 1.00 53.01 H new ATOM 0 HE2 LYS X 21 17.516 -6.010 -4.633 1.00 14.11 H new ATOM 0 HE3 LYS X 21 18.367 -5.547 -3.173 1.00 14.11 H new ATOM 0 HZ1 LYS X 21 18.800 -7.829 -3.488 1.00 3.33 H new ATOM 0 HZ2 LYS X 21 17.651 -7.774 -2.239 1.00 3.33 H new ATOM 0 HZ3 LYS X 21 17.174 -8.194 -3.814 1.00 3.33 H new ATOM 380 N ALA X 22 15.280 -1.417 -4.842 1.00 31.54 N ATOM 381 CA ALA X 22 15.195 -1.122 -6.302 1.00 64.32 C ATOM 382 C ALA X 22 16.563 -1.326 -6.963 1.00 54.30 C ATOM 383 O ALA X 22 17.483 -0.560 -6.759 1.00 74.30 O ATOM 384 CB ALA X 22 14.734 0.325 -6.500 1.00 53.22 C ATOM 0 H ALA X 22 16.140 -1.111 -4.387 1.00 31.54 H new ATOM 0 HA ALA X 22 14.478 -1.801 -6.764 1.00 64.32 H new ATOM 0 HB1 ALA X 22 14.671 0.544 -7.566 1.00 53.22 H new ATOM 0 HB2 ALA X 22 13.754 0.460 -6.043 1.00 53.22 H new ATOM 0 HB3 ALA X 22 15.449 1.002 -6.032 1.00 53.22 H new ATOM 390 N ARG X 23 16.703 -2.354 -7.757 1.00 53.34 N ATOM 391 CA ARG X 23 18.014 -2.617 -8.422 1.00 5.01 C ATOM 392 C ARG X 23 18.109 -1.801 -9.720 1.00 70.42 C ATOM 393 O ARG X 23 18.844 -0.836 -9.807 1.00 73.32 O ATOM 394 CB ARG X 23 18.139 -4.121 -8.732 1.00 23.53 C ATOM 395 CG ARG X 23 18.303 -4.914 -7.423 1.00 11.32 C ATOM 396 CD ARG X 23 18.380 -6.426 -7.724 1.00 32.35 C ATOM 397 NE ARG X 23 18.564 -7.181 -6.442 1.00 24.14 N ATOM 398 CZ ARG X 23 18.380 -8.481 -6.403 1.00 23.13 C ATOM 399 NH1 ARG X 23 18.019 -9.122 -7.478 1.00 3.14 N ATOM 400 NH2 ARG X 23 18.549 -9.140 -5.283 1.00 50.41 N ATOM 0 H ARG X 23 15.965 -3.024 -7.974 1.00 53.34 H new ATOM 0 HA ARG X 23 18.826 -2.320 -7.758 1.00 5.01 H new ATOM 0 HB2 ARG X 23 17.254 -4.465 -9.268 1.00 23.53 H new ATOM 0 HB3 ARG X 23 18.995 -4.297 -9.384 1.00 23.53 H new ATOM 0 HG2 ARG X 23 19.206 -4.592 -6.905 1.00 11.32 H new ATOM 0 HG3 ARG X 23 17.464 -4.710 -6.758 1.00 11.32 H new ATOM 0 HD2 ARG X 23 17.470 -6.755 -8.225 1.00 32.35 H new ATOM 0 HD3 ARG X 23 19.209 -6.631 -8.402 1.00 32.35 H new ATOM 0 HE ARG X 23 18.834 -6.682 -5.594 1.00 24.14 H new ATOM 0 HH11 ARG X 23 17.879 -8.614 -8.352 1.00 3.14 H new ATOM 0 HH12 ARG X 23 17.877 -10.131 -7.446 1.00 3.14 H new ATOM 0 HH21 ARG X 23 18.825 -8.643 -4.436 1.00 50.41 H new ATOM 0 HH22 ARG X 23 18.405 -10.149 -5.258 1.00 50.41 H new ATOM 414 N TRP X 24 17.370 -2.187 -10.732 1.00 72.12 N ATOM 415 CA TRP X 24 17.428 -1.451 -12.031 1.00 10.13 C ATOM 416 C TRP X 24 16.307 -0.409 -12.085 1.00 14.10 C ATOM 417 O TRP X 24 16.492 0.677 -12.594 1.00 12.03 O ATOM 418 CB TRP X 24 17.260 -2.437 -13.192 1.00 63.50 C ATOM 419 CG TRP X 24 17.644 -3.823 -12.764 1.00 41.34 C ATOM 420 CD1 TRP X 24 18.782 -4.153 -12.108 1.00 24.24 C ATOM 421 CD2 TRP X 24 16.898 -5.062 -12.936 1.00 45.10 C ATOM 422 NE1 TRP X 24 18.779 -5.518 -11.868 1.00 2.31 N ATOM 423 CE2 TRP X 24 17.640 -6.122 -12.362 1.00 12.53 C ATOM 424 CE3 TRP X 24 15.663 -5.366 -13.535 1.00 42.32 C ATOM 425 CZ2 TRP X 24 17.165 -7.437 -12.373 1.00 1.00 C ATOM 426 CZ3 TRP X 24 15.183 -6.687 -13.550 1.00 41.52 C ATOM 427 CH2 TRP X 24 15.935 -7.720 -12.972 1.00 63.21 C ATOM 0 H TRP X 24 16.729 -2.980 -10.713 1.00 72.12 H new ATOM 0 HA TRP X 24 18.393 -0.952 -12.115 1.00 10.13 H new ATOM 0 HB2 TRP X 24 16.226 -2.430 -13.536 1.00 63.50 H new ATOM 0 HB3 TRP X 24 17.878 -2.126 -14.034 1.00 63.50 H new ATOM 0 HD1 TRP X 24 19.563 -3.466 -11.819 1.00 24.24 H new ATOM 0 HE1 TRP X 24 19.527 -6.016 -11.385 1.00 2.31 H new ATOM 0 HE3 TRP X 24 15.079 -4.578 -13.987 1.00 42.32 H new ATOM 0 HZ2 TRP X 24 17.745 -8.228 -11.922 1.00 1.00 H new ATOM 0 HZ3 TRP X 24 14.231 -6.908 -14.009 1.00 41.52 H new ATOM 0 HH2 TRP X 24 15.563 -8.734 -12.990 1.00 63.21 H new ATOM 438 N PRO X 25 15.146 -0.749 -11.586 1.00 33.11 N ATOM 439 CA PRO X 25 13.961 0.164 -11.594 1.00 62.14 C ATOM 440 C PRO X 25 14.230 1.489 -10.884 1.00 0.42 C ATOM 441 O PRO X 25 14.879 1.534 -9.859 1.00 5.34 O ATOM 442 CB PRO X 25 12.882 -0.630 -10.850 1.00 30.53 C ATOM 443 CG PRO X 25 13.293 -2.055 -11.000 1.00 35.14 C ATOM 444 CD PRO X 25 14.821 -2.054 -10.957 1.00 5.53 C ATOM 0 HA PRO X 25 13.680 0.441 -12.610 1.00 62.14 H new ATOM 0 HB2 PRO X 25 12.830 -0.341 -9.800 1.00 30.53 H new ATOM 0 HB3 PRO X 25 11.895 -0.455 -11.278 1.00 30.53 H new ATOM 0 HG2 PRO X 25 12.880 -2.668 -10.199 1.00 35.14 H new ATOM 0 HG3 PRO X 25 12.928 -2.470 -11.939 1.00 35.14 H new ATOM 0 HD2 PRO X 25 15.201 -2.121 -9.937 1.00 5.53 H new ATOM 0 HD3 PRO X 25 15.245 -2.891 -11.511 1.00 5.53 H new ATOM 452 N TRP X 26 13.733 2.571 -11.421 1.00 41.23 N ATOM 453 CA TRP X 26 13.961 3.896 -10.777 1.00 64.54 C ATOM 454 C TRP X 26 12.990 4.065 -9.608 1.00 15.24 C ATOM 455 O TRP X 26 12.989 5.075 -8.931 1.00 71.20 O ATOM 456 CB TRP X 26 13.725 5.012 -11.799 1.00 42.25 C ATOM 457 CG TRP X 26 14.843 5.019 -12.791 1.00 73.43 C ATOM 458 CD1 TRP X 26 14.800 4.447 -14.017 1.00 23.34 C ATOM 459 CD2 TRP X 26 16.164 5.615 -12.664 1.00 31.55 C ATOM 460 NE1 TRP X 26 16.012 4.655 -14.649 1.00 34.31 N ATOM 461 CE2 TRP X 26 16.887 5.370 -13.854 1.00 12.41 C ATOM 462 CE3 TRP X 26 16.799 6.338 -11.638 1.00 12.31 C ATOM 463 CZ2 TRP X 26 18.195 5.826 -14.023 1.00 61.04 C ATOM 464 CZ3 TRP X 26 18.115 6.799 -11.804 1.00 31.33 C ATOM 465 CH2 TRP X 26 18.811 6.544 -12.995 1.00 33.04 C ATOM 0 H TRP X 26 13.179 2.594 -12.277 1.00 41.23 H new ATOM 0 HA TRP X 26 14.987 3.950 -10.412 1.00 64.54 H new ATOM 0 HB2 TRP X 26 12.773 4.859 -12.308 1.00 42.25 H new ATOM 0 HB3 TRP X 26 13.666 5.976 -11.294 1.00 42.25 H new ATOM 0 HD1 TRP X 26 13.957 3.915 -14.433 1.00 23.34 H new ATOM 0 HE1 TRP X 26 16.233 4.321 -15.587 1.00 34.31 H new ATOM 0 HE3 TRP X 26 16.271 6.540 -10.717 1.00 12.31 H new ATOM 0 HZ2 TRP X 26 18.727 5.625 -14.941 1.00 61.04 H new ATOM 0 HZ3 TRP X 26 18.594 7.353 -11.010 1.00 31.33 H new ATOM 0 HH2 TRP X 26 19.822 6.903 -13.117 1.00 33.04 H new ATOM 476 N ALA X 27 12.157 3.090 -9.367 1.00 44.14 N ATOM 477 CA ALA X 27 11.185 3.205 -8.245 1.00 11.02 C ATOM 478 C ALA X 27 10.238 4.381 -8.499 1.00 24.13 C ATOM 479 O ALA X 27 10.089 5.262 -7.676 1.00 21.31 O ATOM 480 CB ALA X 27 11.946 3.431 -6.937 1.00 4.41 C ATOM 0 H ALA X 27 12.108 2.220 -9.898 1.00 44.14 H new ATOM 0 HA ALA X 27 10.603 2.286 -8.174 1.00 11.02 H new ATOM 0 HB1 ALA X 27 11.237 3.516 -6.113 1.00 4.41 H new ATOM 0 HB2 ALA X 27 12.615 2.590 -6.755 1.00 4.41 H new ATOM 0 HB3 ALA X 27 12.529 4.349 -7.009 1.00 4.41 H new ATOM 486 N GLU X 28 9.597 4.396 -9.636 1.00 53.10 N ATOM 487 CA GLU X 28 8.651 5.504 -9.952 1.00 44.13 C ATOM 488 C GLU X 28 7.629 5.623 -8.820 1.00 60.03 C ATOM 489 O GLU X 28 7.749 4.988 -7.790 1.00 42.45 O ATOM 490 CB GLU X 28 7.927 5.201 -11.266 1.00 2.13 C ATOM 491 CG GLU X 28 7.199 3.860 -11.155 1.00 13.34 C ATOM 492 CD GLU X 28 6.512 3.538 -12.484 1.00 63.53 C ATOM 493 OE1 GLU X 28 7.092 3.833 -13.515 1.00 60.30 O ATOM 494 OE2 GLU X 28 5.417 3.002 -12.448 1.00 11.13 O ATOM 0 H GLU X 28 9.688 3.686 -10.362 1.00 53.10 H new ATOM 0 HA GLU X 28 9.200 6.440 -10.053 1.00 44.13 H new ATOM 0 HB2 GLU X 28 7.215 5.995 -11.492 1.00 2.13 H new ATOM 0 HB3 GLU X 28 8.642 5.171 -12.088 1.00 2.13 H new ATOM 0 HG2 GLU X 28 7.906 3.071 -10.899 1.00 13.34 H new ATOM 0 HG3 GLU X 28 6.462 3.900 -10.353 1.00 13.34 H new ATOM 501 N LYS X 29 6.620 6.430 -9.009 1.00 72.12 N ATOM 502 CA LYS X 29 5.583 6.593 -7.951 1.00 1.31 C ATOM 503 C LYS X 29 4.710 5.337 -7.901 1.00 42.44 C ATOM 504 O LYS X 29 4.298 4.817 -8.919 1.00 63.31 O ATOM 505 CB LYS X 29 4.714 7.818 -8.264 1.00 11.04 C ATOM 506 CG LYS X 29 5.556 9.093 -8.159 1.00 4.11 C ATOM 507 CD LYS X 29 4.678 10.312 -8.460 1.00 45.44 C ATOM 508 CE LYS X 29 5.506 11.593 -8.327 1.00 1.23 C ATOM 509 NZ LYS X 29 4.656 12.776 -8.637 1.00 25.11 N ATOM 0 H LYS X 29 6.469 6.984 -9.852 1.00 72.12 H new ATOM 0 HA LYS X 29 6.067 6.737 -6.985 1.00 1.31 H new ATOM 0 HB2 LYS X 29 4.294 7.730 -9.266 1.00 11.04 H new ATOM 0 HB3 LYS X 29 3.875 7.867 -7.570 1.00 11.04 H new ATOM 0 HG2 LYS X 29 5.984 9.178 -7.160 1.00 4.11 H new ATOM 0 HG3 LYS X 29 6.389 9.050 -8.860 1.00 4.11 H new ATOM 0 HD2 LYS X 29 4.268 10.236 -9.467 1.00 45.44 H new ATOM 0 HD3 LYS X 29 3.833 10.341 -7.773 1.00 45.44 H new ATOM 0 HE2 LYS X 29 5.906 11.675 -7.316 1.00 1.23 H new ATOM 0 HE3 LYS X 29 6.359 11.558 -9.005 1.00 1.23 H new ATOM 0 HZ1 LYS X 29 5.222 13.644 -8.546 1.00 25.11 H new ATOM 0 HZ2 LYS X 29 4.295 12.699 -9.609 1.00 25.11 H new ATOM 0 HZ3 LYS X 29 3.856 12.813 -7.973 1.00 25.11 H new ATOM 523 N LEU X 30 4.419 4.847 -6.723 1.00 33.14 N ATOM 524 CA LEU X 30 3.568 3.628 -6.618 1.00 43.23 C ATOM 525 C LEU X 30 2.106 4.046 -6.432 1.00 4.24 C ATOM 526 O LEU X 30 1.260 3.243 -6.091 1.00 34.44 O ATOM 527 CB LEU X 30 4.031 2.770 -5.431 1.00 65.34 C ATOM 528 CG LEU X 30 5.307 2.003 -5.793 1.00 1.10 C ATOM 529 CD1 LEU X 30 4.991 0.962 -6.866 1.00 41.00 C ATOM 530 CD2 LEU X 30 6.352 2.983 -6.341 1.00 35.33 C ATOM 0 H LEU X 30 4.733 5.237 -5.834 1.00 33.14 H new ATOM 0 HA LEU X 30 3.659 3.039 -7.530 1.00 43.23 H new ATOM 0 HB2 LEU X 30 4.214 3.405 -4.564 1.00 65.34 H new ATOM 0 HB3 LEU X 30 3.244 2.069 -5.152 1.00 65.34 H new ATOM 0 HG LEU X 30 5.694 1.507 -4.903 1.00 1.10 H new ATOM 0 HD11 LEU X 30 5.899 0.417 -7.123 1.00 41.00 H new ATOM 0 HD12 LEU X 30 4.244 0.264 -6.487 1.00 41.00 H new ATOM 0 HD13 LEU X 30 4.604 1.461 -7.754 1.00 41.00 H new ATOM 0 HD21 LEU X 30 7.261 2.439 -6.599 1.00 35.33 H new ATOM 0 HD22 LEU X 30 5.958 3.475 -7.231 1.00 35.33 H new ATOM 0 HD23 LEU X 30 6.581 3.732 -5.583 1.00 35.33 H new ATOM 542 N ILE X 31 1.800 5.294 -6.668 1.00 13.34 N ATOM 543 CA ILE X 31 0.389 5.759 -6.510 1.00 64.14 C ATOM 544 C ILE X 31 -0.505 5.018 -7.509 1.00 64.54 C ATOM 545 O ILE X 31 -1.594 4.589 -7.183 1.00 62.20 O ATOM 546 CB ILE X 31 0.312 7.266 -6.782 1.00 44.23 C ATOM 547 CG1 ILE X 31 1.059 8.023 -5.678 1.00 61.44 C ATOM 548 CG2 ILE X 31 -1.155 7.704 -6.797 1.00 71.52 C ATOM 549 CD1 ILE X 31 1.223 9.493 -6.080 1.00 54.55 C ATOM 0 H ILE X 31 2.463 6.011 -6.963 1.00 13.34 H new ATOM 0 HA ILE X 31 0.052 5.555 -5.494 1.00 64.14 H new ATOM 0 HB ILE X 31 0.769 7.487 -7.747 1.00 44.23 H new ATOM 0 HG12 ILE X 31 0.510 7.952 -4.739 1.00 61.44 H new ATOM 0 HG13 ILE X 31 2.036 7.570 -5.511 1.00 61.44 H new ATOM 0 HG21 ILE X 31 -1.213 8.775 -6.990 1.00 71.52 H new ATOM 0 HG22 ILE X 31 -1.688 7.165 -7.580 1.00 71.52 H new ATOM 0 HG23 ILE X 31 -1.610 7.484 -5.831 1.00 71.52 H new ATOM 0 HD11 ILE X 31 1.754 10.028 -5.293 1.00 54.55 H new ATOM 0 HD12 ILE X 31 1.791 9.555 -7.008 1.00 54.55 H new ATOM 0 HD13 ILE X 31 0.241 9.942 -6.225 1.00 54.55 H new ATOM 561 N ALA X 32 -0.055 4.869 -8.726 1.00 11.53 N ATOM 562 CA ALA X 32 -0.879 4.170 -9.754 1.00 65.33 C ATOM 563 C ALA X 32 -1.345 2.814 -9.211 1.00 53.52 C ATOM 564 O ALA X 32 -2.491 2.642 -8.846 1.00 50.42 O ATOM 565 CB ALA X 32 -0.035 3.953 -11.011 1.00 32.50 C ATOM 0 H ALA X 32 0.852 5.203 -9.054 1.00 11.53 H new ATOM 0 HA ALA X 32 -1.751 4.778 -9.995 1.00 65.33 H new ATOM 0 HB1 ALA X 32 -0.632 3.442 -11.766 1.00 32.50 H new ATOM 0 HB2 ALA X 32 0.294 4.917 -11.399 1.00 32.50 H new ATOM 0 HB3 ALA X 32 0.835 3.345 -10.764 1.00 32.50 H new ATOM 571 N GLU X 33 -0.466 1.852 -9.155 1.00 12.14 N ATOM 572 CA GLU X 33 -0.863 0.504 -8.656 1.00 34.15 C ATOM 573 C GLU X 33 -1.571 0.649 -7.306 1.00 20.35 C ATOM 574 O GLU X 33 -2.665 0.156 -7.111 1.00 1.03 O ATOM 575 CB GLU X 33 0.389 -0.365 -8.490 1.00 61.15 C ATOM 576 CG GLU X 33 1.030 -0.626 -9.855 1.00 23.50 C ATOM 577 CD GLU X 33 0.082 -1.463 -10.717 1.00 42.02 C ATOM 578 OE1 GLU X 33 -0.793 -2.101 -10.157 1.00 2.42 O ATOM 579 OE2 GLU X 33 0.247 -1.448 -11.926 1.00 62.24 O ATOM 0 H GLU X 33 0.511 1.941 -9.433 1.00 12.14 H new ATOM 0 HA GLU X 33 -1.539 0.034 -9.370 1.00 34.15 H new ATOM 0 HB2 GLU X 33 1.103 0.133 -7.833 1.00 61.15 H new ATOM 0 HB3 GLU X 33 0.125 -1.311 -8.016 1.00 61.15 H new ATOM 0 HG2 GLU X 33 1.250 0.319 -10.351 1.00 23.50 H new ATOM 0 HG3 GLU X 33 1.979 -1.148 -9.729 1.00 23.50 H new ATOM 586 N ARG X 34 -0.960 1.326 -6.369 1.00 72.02 N ATOM 587 CA ARG X 34 -1.598 1.499 -5.029 1.00 40.04 C ATOM 588 C ARG X 34 -2.983 2.108 -5.209 1.00 13.35 C ATOM 589 O ARG X 34 -3.945 1.680 -4.605 1.00 44.33 O ATOM 590 CB ARG X 34 -0.733 2.433 -4.166 1.00 64.13 C ATOM 591 CG ARG X 34 -1.391 2.680 -2.797 1.00 70.43 C ATOM 592 CD ARG X 34 -1.351 1.402 -1.986 1.00 31.35 C ATOM 593 NE ARG X 34 -0.911 1.659 -0.564 1.00 20.42 N ATOM 594 CZ ARG X 34 -1.161 0.749 0.321 1.00 54.30 C ATOM 595 NH1 ARG X 34 -1.827 -0.313 -0.035 1.00 52.41 N ATOM 596 NH2 ARG X 34 -0.739 0.880 1.550 1.00 45.20 N ATOM 0 H ARG X 34 -0.046 1.767 -6.473 1.00 72.02 H new ATOM 0 HA ARG X 34 -1.685 0.531 -4.536 1.00 40.04 H new ATOM 0 HB2 ARG X 34 0.255 1.994 -4.026 1.00 64.13 H new ATOM 0 HB3 ARG X 34 -0.589 3.382 -4.682 1.00 64.13 H new ATOM 0 HG2 ARG X 34 -0.868 3.477 -2.268 1.00 70.43 H new ATOM 0 HG3 ARG X 34 -2.422 3.008 -2.930 1.00 70.43 H new ATOM 0 HD2 ARG X 34 -2.339 0.941 -1.984 1.00 31.35 H new ATOM 0 HD3 ARG X 34 -0.669 0.693 -2.456 1.00 31.35 H new ATOM 0 HE ARG X 34 -0.432 2.523 -0.310 1.00 20.42 H new ATOM 0 HH11 ARG X 34 -2.143 -0.417 -0.999 1.00 52.41 H new ATOM 0 HH12 ARG X 34 -2.032 -1.040 0.651 1.00 52.41 H new ATOM 0 HH21 ARG X 34 -0.206 1.706 1.821 1.00 45.20 H new ATOM 0 HH22 ARG X 34 -0.942 0.156 2.239 1.00 45.20 H new ATOM 610 N ASN X 35 -3.092 3.107 -6.041 1.00 61.23 N ATOM 611 CA ASN X 35 -4.415 3.749 -6.254 1.00 0.11 C ATOM 612 C ASN X 35 -5.396 2.711 -6.816 1.00 14.32 C ATOM 613 O ASN X 35 -6.509 2.569 -6.345 1.00 55.04 O ATOM 614 CB ASN X 35 -4.270 4.909 -7.244 1.00 42.43 C ATOM 615 CG ASN X 35 -5.655 5.443 -7.603 1.00 15.21 C ATOM 616 OD1 ASN X 35 -6.498 4.709 -8.087 1.00 72.22 O ATOM 617 ND2 ASN X 35 -5.926 6.699 -7.395 1.00 2.04 N ATOM 0 H ASN X 35 -2.323 3.504 -6.580 1.00 61.23 H new ATOM 0 HA ASN X 35 -4.792 4.132 -5.306 1.00 0.11 H new ATOM 0 HB2 ASN X 35 -3.664 5.702 -6.806 1.00 42.43 H new ATOM 0 HB3 ASN X 35 -3.753 4.573 -8.143 1.00 42.43 H new ATOM 0 HD21 ASN X 35 -6.845 7.069 -7.637 1.00 2.04 H new ATOM 0 HD22 ASN X 35 -5.219 7.313 -6.990 1.00 2.04 H new ATOM 624 N SER X 36 -4.988 1.975 -7.816 1.00 55.10 N ATOM 625 CA SER X 36 -5.895 0.948 -8.407 1.00 1.15 C ATOM 626 C SER X 36 -6.541 0.142 -7.278 1.00 53.53 C ATOM 627 O SER X 36 -7.595 0.484 -6.779 1.00 51.50 O ATOM 628 CB SER X 36 -5.079 0.011 -9.294 1.00 73.03 C ATOM 629 OG SER X 36 -5.732 -1.249 -9.375 1.00 70.44 O ATOM 0 H SER X 36 -4.067 2.041 -8.249 1.00 55.10 H new ATOM 0 HA SER X 36 -6.669 1.434 -9.001 1.00 1.15 H new ATOM 0 HB2 SER X 36 -4.968 0.440 -10.290 1.00 73.03 H new ATOM 0 HB3 SER X 36 -4.076 -0.112 -8.886 1.00 73.03 H new ATOM 0 HG SER X 36 -5.211 -1.852 -9.945 1.00 70.44 H new ATOM 635 N LEU X 37 -5.912 -0.931 -6.869 1.00 22.01 N ATOM 636 CA LEU X 37 -6.480 -1.758 -5.763 1.00 1.22 C ATOM 637 C LEU X 37 -7.336 -0.871 -4.851 1.00 10.02 C ATOM 638 O LEU X 37 -8.434 -1.225 -4.471 1.00 14.53 O ATOM 639 CB LEU X 37 -5.349 -2.355 -4.918 1.00 40.04 C ATOM 640 CG LEU X 37 -4.398 -3.217 -5.765 1.00 2.42 C ATOM 641 CD1 LEU X 37 -5.165 -3.947 -6.866 1.00 53.04 C ATOM 642 CD2 LEU X 37 -3.320 -2.331 -6.393 1.00 2.43 C ATOM 0 H LEU X 37 -5.030 -1.269 -7.254 1.00 22.01 H new ATOM 0 HA LEU X 37 -7.082 -2.556 -6.198 1.00 1.22 H new ATOM 0 HB2 LEU X 37 -4.786 -1.551 -4.444 1.00 40.04 H new ATOM 0 HB3 LEU X 37 -5.774 -2.961 -4.118 1.00 40.04 H new ATOM 0 HG LEU X 37 -3.932 -3.958 -5.115 1.00 2.42 H new ATOM 0 HD11 LEU X 37 -4.473 -4.551 -7.453 1.00 53.04 H new ATOM 0 HD12 LEU X 37 -5.919 -4.593 -6.417 1.00 53.04 H new ATOM 0 HD13 LEU X 37 -5.651 -3.219 -7.515 1.00 53.04 H new ATOM 0 HD21 LEU X 37 -2.648 -2.945 -6.992 1.00 2.43 H new ATOM 0 HD22 LEU X 37 -3.790 -1.581 -7.029 1.00 2.43 H new ATOM 0 HD23 LEU X 37 -2.753 -1.835 -5.606 1.00 2.43 H new ATOM 654 N ALA X 38 -6.824 0.272 -4.479 1.00 52.33 N ATOM 655 CA ALA X 38 -7.572 1.178 -3.553 1.00 55.24 C ATOM 656 C ALA X 38 -8.995 1.419 -4.064 1.00 43.21 C ATOM 657 O ALA X 38 -9.951 1.366 -3.315 1.00 2.41 O ATOM 658 CB ALA X 38 -6.844 2.520 -3.461 1.00 2.34 C ATOM 0 H ALA X 38 -5.913 0.621 -4.778 1.00 52.33 H new ATOM 0 HA ALA X 38 -7.623 0.706 -2.572 1.00 55.24 H new ATOM 0 HB1 ALA X 38 -7.387 3.183 -2.787 1.00 2.34 H new ATOM 0 HB2 ALA X 38 -5.835 2.361 -3.080 1.00 2.34 H new ATOM 0 HB3 ALA X 38 -6.791 2.974 -4.451 1.00 2.34 H new ATOM 664 N LYS X 39 -9.142 1.700 -5.328 1.00 51.35 N ATOM 665 CA LYS X 39 -10.503 1.941 -5.890 1.00 14.11 C ATOM 666 C LYS X 39 -11.313 0.640 -5.887 1.00 15.30 C ATOM 667 O LYS X 39 -12.410 0.584 -5.367 1.00 51.01 O ATOM 668 CB LYS X 39 -10.364 2.457 -7.324 1.00 14.03 C ATOM 669 CG LYS X 39 -11.748 2.531 -7.980 1.00 21.04 C ATOM 670 CD LYS X 39 -12.108 1.169 -8.578 1.00 32.12 C ATOM 671 CE LYS X 39 -12.721 1.360 -9.969 1.00 71.54 C ATOM 672 NZ LYS X 39 -11.730 2.018 -10.868 1.00 22.11 N ATOM 0 H LYS X 39 -8.377 1.774 -5.999 1.00 51.35 H new ATOM 0 HA LYS X 39 -11.023 2.678 -5.278 1.00 14.11 H new ATOM 0 HB2 LYS X 39 -9.898 3.442 -7.323 1.00 14.03 H new ATOM 0 HB3 LYS X 39 -9.713 1.797 -7.897 1.00 14.03 H new ATOM 0 HG2 LYS X 39 -12.495 2.824 -7.243 1.00 21.04 H new ATOM 0 HG3 LYS X 39 -11.752 3.294 -8.759 1.00 21.04 H new ATOM 0 HD2 LYS X 39 -11.217 0.544 -8.645 1.00 32.12 H new ATOM 0 HD3 LYS X 39 -12.813 0.651 -7.928 1.00 32.12 H new ATOM 0 HE2 LYS X 39 -13.017 0.396 -10.382 1.00 71.54 H new ATOM 0 HE3 LYS X 39 -13.623 1.968 -9.899 1.00 71.54 H new ATOM 0 HZ1 LYS X 39 -11.825 1.634 -11.830 1.00 22.11 H new ATOM 0 HZ2 LYS X 39 -11.904 3.043 -10.885 1.00 22.11 H new ATOM 0 HZ3 LYS X 39 -10.768 1.836 -10.517 1.00 22.11 H new ATOM 686 N ASP X 40 -10.785 -0.402 -6.463 1.00 34.42 N ATOM 687 CA ASP X 40 -11.540 -1.684 -6.525 1.00 32.52 C ATOM 688 C ASP X 40 -11.857 -2.159 -5.103 1.00 14.00 C ATOM 689 O ASP X 40 -12.938 -2.643 -4.827 1.00 34.33 O ATOM 690 CB ASP X 40 -10.684 -2.732 -7.243 1.00 53.03 C ATOM 691 CG ASP X 40 -10.713 -2.471 -8.751 1.00 55.24 C ATOM 692 OD1 ASP X 40 -11.506 -1.645 -9.174 1.00 2.04 O ATOM 693 OD2 ASP X 40 -9.942 -3.099 -9.457 1.00 35.04 O ATOM 0 H ASP X 40 -9.861 -0.422 -6.895 1.00 34.42 H new ATOM 0 HA ASP X 40 -12.473 -1.539 -7.069 1.00 32.52 H new ATOM 0 HB2 ASP X 40 -9.658 -2.692 -6.876 1.00 53.03 H new ATOM 0 HB3 ASP X 40 -11.060 -3.732 -7.029 1.00 53.03 H new ATOM 698 N VAL X 41 -10.926 -2.022 -4.199 1.00 65.22 N ATOM 699 CA VAL X 41 -11.164 -2.485 -2.804 1.00 12.21 C ATOM 700 C VAL X 41 -12.242 -1.610 -2.169 1.00 5.34 C ATOM 701 O VAL X 41 -13.124 -2.089 -1.481 1.00 13.04 O ATOM 702 CB VAL X 41 -9.867 -2.365 -2.000 1.00 0.52 C ATOM 703 CG1 VAL X 41 -10.108 -2.830 -0.563 1.00 52.23 C ATOM 704 CG2 VAL X 41 -8.782 -3.238 -2.640 1.00 21.13 C ATOM 0 H VAL X 41 -10.009 -1.608 -4.367 1.00 65.22 H new ATOM 0 HA VAL X 41 -11.489 -3.525 -2.809 1.00 12.21 H new ATOM 0 HB VAL X 41 -9.542 -1.324 -1.996 1.00 0.52 H new ATOM 0 HG11 VAL X 41 -9.183 -2.744 0.007 1.00 52.23 H new ATOM 0 HG12 VAL X 41 -10.877 -2.209 -0.104 1.00 52.23 H new ATOM 0 HG13 VAL X 41 -10.436 -3.869 -0.567 1.00 52.23 H new ATOM 0 HG21 VAL X 41 -7.859 -3.151 -2.066 1.00 21.13 H new ATOM 0 HG22 VAL X 41 -9.109 -4.278 -2.647 1.00 21.13 H new ATOM 0 HG23 VAL X 41 -8.605 -2.907 -3.663 1.00 21.13 H new ATOM 714 N ALA X 42 -12.178 -0.328 -2.399 1.00 4.32 N ATOM 715 CA ALA X 42 -13.199 0.591 -1.819 1.00 54.02 C ATOM 716 C ALA X 42 -14.591 0.005 -2.060 1.00 54.21 C ATOM 717 O ALA X 42 -15.408 -0.077 -1.163 1.00 22.44 O ATOM 718 CB ALA X 42 -13.088 1.960 -2.494 1.00 4.44 C ATOM 0 H ALA X 42 -11.461 0.125 -2.965 1.00 4.32 H new ATOM 0 HA ALA X 42 -13.033 0.705 -0.748 1.00 54.02 H new ATOM 0 HB1 ALA X 42 -13.833 2.635 -2.073 1.00 4.44 H new ATOM 0 HB2 ALA X 42 -12.092 2.369 -2.326 1.00 4.44 H new ATOM 0 HB3 ALA X 42 -13.260 1.853 -3.565 1.00 4.44 H new ATOM 724 N GLU X 43 -14.859 -0.415 -3.267 1.00 64.53 N ATOM 725 CA GLU X 43 -16.178 -1.037 -3.572 1.00 1.42 C ATOM 726 C GLU X 43 -16.426 -2.189 -2.595 1.00 44.31 C ATOM 727 O GLU X 43 -17.383 -2.190 -1.848 1.00 32.33 O ATOM 728 CB GLU X 43 -16.163 -1.580 -5.006 1.00 2.31 C ATOM 729 CG GLU X 43 -17.525 -2.190 -5.349 1.00 34.32 C ATOM 730 CD GLU X 43 -17.525 -2.664 -6.802 1.00 53.12 C ATOM 731 OE1 GLU X 43 -16.457 -2.715 -7.387 1.00 2.21 O ATOM 732 OE2 GLU X 43 -18.592 -2.972 -7.305 1.00 10.31 O ATOM 0 H GLU X 43 -14.218 -0.353 -4.058 1.00 64.53 H new ATOM 0 HA GLU X 43 -16.969 -0.294 -3.473 1.00 1.42 H new ATOM 0 HB2 GLU X 43 -15.928 -0.777 -5.705 1.00 2.31 H new ATOM 0 HB3 GLU X 43 -15.381 -2.333 -5.111 1.00 2.31 H new ATOM 0 HG2 GLU X 43 -17.738 -3.026 -4.683 1.00 34.32 H new ATOM 0 HG3 GLU X 43 -18.313 -1.453 -5.197 1.00 34.32 H new ATOM 739 N ILE X 44 -15.562 -3.171 -2.598 1.00 4.10 N ATOM 740 CA ILE X 44 -15.727 -4.320 -1.659 1.00 0.14 C ATOM 741 C ILE X 44 -15.950 -3.789 -0.241 1.00 12.34 C ATOM 742 O ILE X 44 -16.732 -4.329 0.518 1.00 74.11 O ATOM 743 CB ILE X 44 -14.462 -5.180 -1.670 1.00 71.42 C ATOM 744 CG1 ILE X 44 -14.059 -5.524 -3.112 1.00 72.02 C ATOM 745 CG2 ILE X 44 -14.712 -6.467 -0.886 1.00 51.55 C ATOM 746 CD1 ILE X 44 -15.255 -6.100 -3.874 1.00 60.31 C ATOM 0 H ILE X 44 -14.749 -3.227 -3.211 1.00 4.10 H new ATOM 0 HA ILE X 44 -16.582 -4.919 -1.973 1.00 0.14 H new ATOM 0 HB ILE X 44 -13.652 -4.619 -1.205 1.00 71.42 H new ATOM 0 HG12 ILE X 44 -13.693 -4.630 -3.618 1.00 72.02 H new ATOM 0 HG13 ILE X 44 -13.241 -6.245 -3.106 1.00 72.02 H new ATOM 0 HG21 ILE X 44 -13.810 -7.079 -0.894 1.00 51.55 H new ATOM 0 HG22 ILE X 44 -14.974 -6.221 0.143 1.00 51.55 H new ATOM 0 HG23 ILE X 44 -15.530 -7.020 -1.346 1.00 51.55 H new ATOM 0 HD11 ILE X 44 -14.955 -6.339 -4.894 1.00 60.31 H new ATOM 0 HD12 ILE X 44 -15.602 -7.005 -3.376 1.00 60.31 H new ATOM 0 HD13 ILE X 44 -16.061 -5.366 -3.895 1.00 60.31 H new ATOM 758 N LYS X 45 -15.266 -2.736 0.123 1.00 1.40 N ATOM 759 CA LYS X 45 -15.418 -2.181 1.502 1.00 21.12 C ATOM 760 C LYS X 45 -16.882 -1.788 1.728 1.00 34.31 C ATOM 761 O LYS X 45 -17.467 -2.082 2.750 1.00 34.40 O ATOM 762 CB LYS X 45 -14.527 -0.940 1.664 1.00 33.24 C ATOM 763 CG LYS X 45 -13.064 -1.366 1.836 1.00 10.51 C ATOM 764 CD LYS X 45 -12.761 -1.571 3.327 1.00 23.05 C ATOM 765 CE LYS X 45 -11.244 -1.663 3.542 1.00 51.11 C ATOM 766 NZ LYS X 45 -10.634 -0.308 3.401 1.00 55.14 N ATOM 0 H LYS X 45 -14.608 -2.236 -0.475 1.00 1.40 H new ATOM 0 HA LYS X 45 -15.120 -2.935 2.231 1.00 21.12 H new ATOM 0 HB2 LYS X 45 -14.626 -0.294 0.792 1.00 33.24 H new ATOM 0 HB3 LYS X 45 -14.850 -0.360 2.529 1.00 33.24 H new ATOM 0 HG2 LYS X 45 -12.876 -2.288 1.286 1.00 10.51 H new ATOM 0 HG3 LYS X 45 -12.402 -0.606 1.421 1.00 10.51 H new ATOM 0 HD2 LYS X 45 -13.170 -0.744 3.908 1.00 23.05 H new ATOM 0 HD3 LYS X 45 -13.244 -2.481 3.684 1.00 23.05 H new ATOM 0 HE2 LYS X 45 -11.031 -2.067 4.532 1.00 51.11 H new ATOM 0 HE3 LYS X 45 -10.805 -2.348 2.816 1.00 51.11 H new ATOM 0 HZ1 LYS X 45 -9.796 -0.367 2.788 1.00 55.14 H new ATOM 0 HZ2 LYS X 45 -11.327 0.342 2.978 1.00 55.14 H new ATOM 0 HZ3 LYS X 45 -10.354 0.046 4.338 1.00 55.14 H new ATOM 780 N ASN X 46 -17.475 -1.128 0.772 1.00 43.54 N ATOM 781 CA ASN X 46 -18.899 -0.715 0.910 1.00 12.52 C ATOM 782 C ASN X 46 -19.763 -1.968 1.051 1.00 21.15 C ATOM 783 O ASN X 46 -20.698 -2.009 1.827 1.00 23.45 O ATOM 784 CB ASN X 46 -19.308 0.066 -0.341 1.00 15.12 C ATOM 785 CG ASN X 46 -20.757 0.537 -0.214 1.00 62.51 C ATOM 786 OD1 ASN X 46 -21.137 1.123 0.782 1.00 15.43 O ATOM 787 ND2 ASN X 46 -21.590 0.310 -1.193 1.00 0.30 N ATOM 0 H ASN X 46 -17.031 -0.855 -0.105 1.00 43.54 H new ATOM 0 HA ASN X 46 -19.032 -0.084 1.789 1.00 12.52 H new ATOM 0 HB2 ASN X 46 -18.649 0.924 -0.476 1.00 15.12 H new ATOM 0 HB3 ASN X 46 -19.198 -0.563 -1.224 1.00 15.12 H new ATOM 0 HD21 ASN X 46 -22.558 0.624 -1.122 1.00 0.30 H new ATOM 0 HD22 ASN X 46 -21.273 -0.181 -2.029 1.00 0.30 H new ATOM 794 N GLN X 47 -19.448 -2.996 0.311 1.00 12.45 N ATOM 795 CA GLN X 47 -20.247 -4.249 0.396 1.00 32.30 C ATOM 796 C GLN X 47 -19.955 -4.937 1.737 1.00 53.32 C ATOM 797 O GLN X 47 -20.649 -5.848 2.142 1.00 11.43 O ATOM 798 CB GLN X 47 -19.876 -5.173 -0.770 1.00 4.42 C ATOM 799 CG GLN X 47 -19.039 -6.347 -0.260 1.00 51.23 C ATOM 800 CD GLN X 47 -18.508 -7.156 -1.447 1.00 11.44 C ATOM 801 OE1 GLN X 47 -18.753 -6.743 -2.663 1.00 32.55 O flip ATOM 802 NE2 GLN X 47 -17.868 -8.172 -1.268 1.00 52.11 N flip ATOM 0 H GLN X 47 -18.671 -3.021 -0.349 1.00 12.45 H new ATOM 0 HA GLN X 47 -21.311 -4.020 0.335 1.00 32.30 H new ATOM 0 HB2 GLN X 47 -20.780 -5.543 -1.254 1.00 4.42 H new ATOM 0 HB3 GLN X 47 -19.317 -4.617 -1.522 1.00 4.42 H new ATOM 0 HG2 GLN X 47 -18.208 -5.979 0.343 1.00 51.23 H new ATOM 0 HG3 GLN X 47 -19.644 -6.984 0.385 1.00 51.23 H new ATOM 0 HE21 GLN X 47 -17.677 -8.494 -0.319 1.00 52.11 H new ATOM 0 HE22 GLN X 47 -17.521 -8.704 -2.066 1.00 52.11 H new ATOM 811 N LEU X 48 -18.942 -4.489 2.435 1.00 23.41 N ATOM 812 CA LEU X 48 -18.616 -5.092 3.762 1.00 23.21 C ATOM 813 C LEU X 48 -19.282 -4.256 4.860 1.00 23.21 C ATOM 814 O LEU X 48 -19.255 -4.600 6.024 1.00 42.10 O ATOM 815 CB LEU X 48 -17.098 -5.093 3.986 1.00 54.43 C ATOM 816 CG LEU X 48 -16.442 -6.241 3.210 1.00 21.10 C ATOM 817 CD1 LEU X 48 -14.978 -5.892 2.940 1.00 62.21 C ATOM 818 CD2 LEU X 48 -16.505 -7.530 4.035 1.00 63.20 C ATOM 0 H LEU X 48 -18.326 -3.730 2.142 1.00 23.41 H new ATOM 0 HA LEU X 48 -18.980 -6.119 3.790 1.00 23.21 H new ATOM 0 HB2 LEU X 48 -16.676 -4.141 3.664 1.00 54.43 H new ATOM 0 HB3 LEU X 48 -16.881 -5.194 5.049 1.00 54.43 H new ATOM 0 HG LEU X 48 -16.972 -6.388 2.269 1.00 21.10 H new ATOM 0 HD11 LEU X 48 -14.506 -6.705 2.388 1.00 62.21 H new ATOM 0 HD12 LEU X 48 -14.925 -4.976 2.352 1.00 62.21 H new ATOM 0 HD13 LEU X 48 -14.458 -5.746 3.887 1.00 62.21 H new ATOM 0 HD21 LEU X 48 -16.037 -8.342 3.478 1.00 63.20 H new ATOM 0 HD22 LEU X 48 -15.977 -7.385 4.977 1.00 63.20 H new ATOM 0 HD23 LEU X 48 -17.546 -7.782 4.238 1.00 63.20 H new ATOM 830 N GLY X 49 -19.882 -3.156 4.489 1.00 31.51 N ATOM 831 CA GLY X 49 -20.565 -2.288 5.494 1.00 52.23 C ATOM 832 C GLY X 49 -19.587 -1.853 6.594 1.00 24.13 C ATOM 833 O GLY X 49 -19.803 -2.118 7.760 1.00 73.55 O ATOM 0 H GLY X 49 -19.929 -2.819 3.527 1.00 31.51 H new ATOM 0 HA2 GLY X 49 -20.978 -1.409 5.000 1.00 52.23 H new ATOM 0 HA3 GLY X 49 -21.402 -2.827 5.938 1.00 52.23 H new ATOM 837 N ILE X 50 -18.526 -1.173 6.245 1.00 13.34 N ATOM 838 CA ILE X 50 -17.578 -0.687 7.294 1.00 11.33 C ATOM 839 C ILE X 50 -16.976 0.654 6.871 1.00 31.52 C ATOM 840 O ILE X 50 -17.059 1.045 5.725 1.00 24.14 O ATOM 841 CB ILE X 50 -16.447 -1.697 7.503 1.00 63.42 C ATOM 842 CG1 ILE X 50 -15.479 -1.667 6.315 1.00 11.22 C ATOM 843 CG2 ILE X 50 -17.041 -3.098 7.638 1.00 32.03 C ATOM 844 CD1 ILE X 50 -16.259 -1.811 5.005 1.00 5.54 C ATOM 0 H ILE X 50 -18.275 -0.934 5.286 1.00 13.34 H new ATOM 0 HA ILE X 50 -18.130 -0.567 8.226 1.00 11.33 H new ATOM 0 HB ILE X 50 -15.901 -1.435 8.409 1.00 63.42 H new ATOM 0 HG12 ILE X 50 -14.919 -0.732 6.314 1.00 11.22 H new ATOM 0 HG13 ILE X 50 -14.752 -2.474 6.406 1.00 11.22 H new ATOM 0 HG21 ILE X 50 -16.239 -3.821 7.787 1.00 32.03 H new ATOM 0 HG22 ILE X 50 -17.717 -3.126 8.492 1.00 32.03 H new ATOM 0 HG23 ILE X 50 -17.591 -3.349 6.731 1.00 32.03 H new ATOM 0 HD11 ILE X 50 -15.566 -1.789 4.164 1.00 5.54 H new ATOM 0 HD12 ILE X 50 -16.799 -2.758 5.005 1.00 5.54 H new ATOM 0 HD13 ILE X 50 -16.968 -0.989 4.912 1.00 5.54 H new ATOM 856 N PRO X 51 -16.392 1.358 7.802 1.00 60.05 N ATOM 857 CA PRO X 51 -15.738 2.676 7.540 1.00 1.24 C ATOM 858 C PRO X 51 -14.578 2.589 6.548 1.00 42.22 C ATOM 859 O PRO X 51 -13.793 1.660 6.572 1.00 64.40 O ATOM 860 CB PRO X 51 -15.243 3.112 8.921 1.00 10.33 C ATOM 861 CG PRO X 51 -16.097 2.356 9.880 1.00 22.02 C ATOM 862 CD PRO X 51 -16.296 0.982 9.241 1.00 33.50 C ATOM 0 HA PRO X 51 -16.431 3.379 7.079 1.00 1.24 H new ATOM 0 HB2 PRO X 51 -14.188 2.875 9.057 1.00 10.33 H new ATOM 0 HB3 PRO X 51 -15.348 4.188 9.059 1.00 10.33 H new ATOM 0 HG2 PRO X 51 -15.615 2.271 10.854 1.00 22.02 H new ATOM 0 HG3 PRO X 51 -17.051 2.859 10.039 1.00 22.02 H new ATOM 0 HD2 PRO X 51 -15.461 0.309 9.438 1.00 33.50 H new ATOM 0 HD3 PRO X 51 -17.197 0.485 9.600 1.00 33.50 H new ATOM 870 N ILE X 52 -14.465 3.557 5.682 1.00 14.31 N ATOM 871 CA ILE X 52 -13.357 3.557 4.686 1.00 61.11 C ATOM 872 C ILE X 52 -12.024 3.702 5.418 1.00 41.22 C ATOM 873 O ILE X 52 -11.056 3.037 5.103 1.00 73.41 O ATOM 874 CB ILE X 52 -13.542 4.736 3.727 1.00 73.23 C ATOM 875 CG1 ILE X 52 -14.928 4.649 3.082 1.00 14.14 C ATOM 876 CG2 ILE X 52 -12.465 4.693 2.640 1.00 4.13 C ATOM 877 CD1 ILE X 52 -15.164 5.875 2.198 1.00 11.52 C ATOM 0 H ILE X 52 -15.098 4.355 5.621 1.00 14.31 H new ATOM 0 HA ILE X 52 -13.366 2.623 4.123 1.00 61.11 H new ATOM 0 HB ILE X 52 -13.454 5.671 4.279 1.00 73.23 H new ATOM 0 HG12 ILE X 52 -15.006 3.739 2.487 1.00 14.14 H new ATOM 0 HG13 ILE X 52 -15.696 4.592 3.854 1.00 14.14 H new ATOM 0 HG21 ILE X 52 -12.601 5.534 1.960 1.00 4.13 H new ATOM 0 HG22 ILE X 52 -11.480 4.755 3.102 1.00 4.13 H new ATOM 0 HG23 ILE X 52 -12.547 3.759 2.083 1.00 4.13 H new ATOM 0 HD11 ILE X 52 -16.151 5.809 1.741 1.00 11.52 H new ATOM 0 HD12 ILE X 52 -15.105 6.778 2.805 1.00 11.52 H new ATOM 0 HD13 ILE X 52 -14.404 5.912 1.417 1.00 11.52 H new ATOM 889 N ASN X 53 -11.962 4.569 6.388 1.00 60.42 N ATOM 890 CA ASN X 53 -10.697 4.742 7.146 1.00 61.31 C ATOM 891 C ASN X 53 -10.471 3.538 8.060 1.00 11.44 C ATOM 892 O ASN X 53 -11.358 3.104 8.768 1.00 10.11 O ATOM 893 CB ASN X 53 -10.761 6.010 7.995 1.00 61.45 C ATOM 894 CG ASN X 53 -9.332 6.491 8.256 1.00 61.14 C ATOM 895 OD1 ASN X 53 -8.458 5.660 8.759 1.00 45.05 O flip ATOM 896 ND2 ASN X 53 -8.999 7.629 7.978 1.00 51.40 N flip ATOM 0 H ASN X 53 -12.734 5.165 6.688 1.00 60.42 H new ATOM 0 HA ASN X 53 -9.874 4.824 6.436 1.00 61.31 H new ATOM 0 HB2 ASN X 53 -11.333 6.782 7.480 1.00 61.45 H new ATOM 0 HB3 ASN X 53 -11.272 5.810 8.937 1.00 61.45 H new ATOM 0 HD21 ASN X 53 -9.681 8.278 7.585 1.00 51.40 H new ATOM 0 HD22 ASN X 53 -8.038 7.933 8.138 1.00 51.40 H new ATOM 903 N ASP X 54 -9.289 2.989 8.044 1.00 24.32 N ATOM 904 CA ASP X 54 -9.017 1.795 8.882 1.00 12.14 C ATOM 905 C ASP X 54 -7.542 1.777 9.293 1.00 12.35 C ATOM 906 O ASP X 54 -6.737 1.063 8.723 1.00 43.33 O ATOM 907 CB ASP X 54 -9.342 0.536 8.084 1.00 21.32 C ATOM 908 CG ASP X 54 -9.398 -0.669 9.022 1.00 1.13 C ATOM 909 OD1 ASP X 54 -8.439 -0.869 9.751 1.00 32.35 O ATOM 910 OD2 ASP X 54 -10.391 -1.374 8.995 1.00 5.43 O ATOM 0 H ASP X 54 -8.501 3.318 7.486 1.00 24.32 H new ATOM 0 HA ASP X 54 -9.637 1.830 9.778 1.00 12.14 H new ATOM 0 HB2 ASP X 54 -10.297 0.655 7.572 1.00 21.32 H new ATOM 0 HB3 ASP X 54 -8.586 0.376 7.315 1.00 21.32 H new ATOM 915 N PRO X 55 -7.202 2.539 10.299 1.00 21.03 N ATOM 916 CA PRO X 55 -5.805 2.619 10.819 1.00 21.34 C ATOM 917 C PRO X 55 -5.282 1.224 11.169 1.00 33.41 C ATOM 918 O PRO X 55 -4.269 0.779 10.662 1.00 61.14 O ATOM 919 CB PRO X 55 -5.934 3.483 12.083 1.00 62.42 C ATOM 920 CG PRO X 55 -7.391 3.490 12.403 1.00 42.13 C ATOM 921 CD PRO X 55 -8.115 3.418 11.065 1.00 2.25 C ATOM 0 HA PRO X 55 -5.105 3.035 10.094 1.00 21.34 H new ATOM 0 HB2 PRO X 55 -5.352 3.067 12.906 1.00 62.42 H new ATOM 0 HB3 PRO X 55 -5.564 4.493 11.909 1.00 62.42 H new ATOM 0 HG2 PRO X 55 -7.656 2.643 13.036 1.00 42.13 H new ATOM 0 HG3 PRO X 55 -7.667 4.393 12.948 1.00 42.13 H new ATOM 0 HD2 PRO X 55 -9.114 2.993 11.159 1.00 2.25 H new ATOM 0 HD3 PRO X 55 -8.227 4.399 10.603 1.00 2.25 H new ATOM 929 N GLU X 56 -5.979 0.525 12.019 1.00 63.51 N ATOM 930 CA GLU X 56 -5.561 -0.857 12.366 1.00 3.53 C ATOM 931 C GLU X 56 -4.793 -1.447 11.181 1.00 54.40 C ATOM 932 O GLU X 56 -3.618 -1.748 11.273 1.00 23.54 O ATOM 933 CB GLU X 56 -6.805 -1.704 12.642 1.00 51.32 C ATOM 934 CG GLU X 56 -7.470 -1.226 13.938 1.00 74.14 C ATOM 935 CD GLU X 56 -8.762 -2.015 14.174 1.00 65.41 C ATOM 936 OE1 GLU X 56 -9.084 -2.850 13.344 1.00 42.24 O ATOM 937 OE2 GLU X 56 -9.410 -1.768 15.176 1.00 33.24 O ATOM 0 H GLU X 56 -6.823 0.854 12.489 1.00 63.51 H new ATOM 0 HA GLU X 56 -4.926 -0.848 13.252 1.00 3.53 H new ATOM 0 HB2 GLU X 56 -7.505 -1.624 11.810 1.00 51.32 H new ATOM 0 HB3 GLU X 56 -6.531 -2.755 12.727 1.00 51.32 H new ATOM 0 HG2 GLU X 56 -6.790 -1.362 14.779 1.00 74.14 H new ATOM 0 HG3 GLU X 56 -7.689 -0.160 13.874 1.00 74.14 H new ATOM 944 N ARG X 57 -5.449 -1.597 10.065 1.00 42.50 N ATOM 945 CA ARG X 57 -4.764 -2.133 8.851 1.00 23.52 C ATOM 946 C ARG X 57 -3.500 -1.316 8.595 1.00 42.32 C ATOM 947 O ARG X 57 -2.441 -1.852 8.341 1.00 23.12 O ATOM 948 CB ARG X 57 -5.711 -2.015 7.650 1.00 61.41 C ATOM 949 CG ARG X 57 -5.604 -3.252 6.750 1.00 31.52 C ATOM 950 CD ARG X 57 -4.374 -3.150 5.862 1.00 25.44 C ATOM 951 NE ARG X 57 -4.792 -2.934 4.441 1.00 35.13 N ATOM 952 CZ ARG X 57 -3.893 -2.648 3.531 1.00 34.15 C ATOM 953 NH1 ARG X 57 -2.662 -2.391 3.886 1.00 23.23 N ATOM 954 NH2 ARG X 57 -4.225 -2.595 2.268 1.00 33.11 N ATOM 0 H ARG X 57 -6.436 -1.371 9.939 1.00 42.50 H new ATOM 0 HA ARG X 57 -4.497 -3.179 8.999 1.00 23.52 H new ATOM 0 HB2 ARG X 57 -6.737 -1.902 8.000 1.00 61.41 H new ATOM 0 HB3 ARG X 57 -5.469 -1.120 7.077 1.00 61.41 H new ATOM 0 HG2 ARG X 57 -5.546 -4.152 7.362 1.00 31.52 H new ATOM 0 HG3 ARG X 57 -6.499 -3.342 6.135 1.00 31.52 H new ATOM 0 HD2 ARG X 57 -3.742 -2.327 6.194 1.00 25.44 H new ATOM 0 HD3 ARG X 57 -3.780 -4.060 5.942 1.00 25.44 H new ATOM 0 HE ARG X 57 -5.775 -3.009 4.181 1.00 35.13 H new ATOM 0 HH11 ARG X 57 -2.400 -2.413 4.872 1.00 23.23 H new ATOM 0 HH12 ARG X 57 -1.963 -2.169 3.177 1.00 23.23 H new ATOM 0 HH21 ARG X 57 -5.188 -2.777 1.986 1.00 33.11 H new ATOM 0 HH22 ARG X 57 -3.521 -2.372 1.565 1.00 33.11 H new ATOM 968 N GLU X 58 -3.603 -0.015 8.676 1.00 10.34 N ATOM 969 CA GLU X 58 -2.409 0.847 8.457 1.00 43.15 C ATOM 970 C GLU X 58 -1.327 0.460 9.474 1.00 1.52 C ATOM 971 O GLU X 58 -0.157 0.385 9.152 1.00 40.32 O ATOM 972 CB GLU X 58 -2.800 2.317 8.647 1.00 11.53 C ATOM 973 CG GLU X 58 -4.008 2.644 7.762 1.00 4.04 C ATOM 974 CD GLU X 58 -3.588 2.609 6.290 1.00 53.24 C ATOM 975 OE1 GLU X 58 -2.403 2.489 6.036 1.00 11.33 O ATOM 976 OE2 GLU X 58 -4.461 2.702 5.442 1.00 11.11 O ATOM 0 H GLU X 58 -4.466 0.487 8.885 1.00 10.34 H new ATOM 0 HA GLU X 58 -2.028 0.709 7.445 1.00 43.15 H new ATOM 0 HB2 GLU X 58 -3.040 2.508 9.693 1.00 11.53 H new ATOM 0 HB3 GLU X 58 -1.961 2.964 8.389 1.00 11.53 H new ATOM 0 HG2 GLU X 58 -4.808 1.925 7.940 1.00 4.04 H new ATOM 0 HG3 GLU X 58 -4.402 3.628 8.015 1.00 4.04 H new ATOM 983 N LYS X 59 -1.712 0.199 10.697 1.00 31.41 N ATOM 984 CA LYS X 59 -0.710 -0.193 11.731 1.00 23.11 C ATOM 985 C LYS X 59 -0.024 -1.486 11.278 1.00 32.34 C ATOM 986 O LYS X 59 1.183 -1.617 11.333 1.00 74.50 O ATOM 987 CB LYS X 59 -1.420 -0.430 13.073 1.00 70.02 C ATOM 988 CG LYS X 59 -1.265 0.802 13.977 1.00 55.05 C ATOM 989 CD LYS X 59 -1.971 2.003 13.341 1.00 62.22 C ATOM 990 CE LYS X 59 -1.593 3.280 14.097 1.00 50.01 C ATOM 991 NZ LYS X 59 -0.135 3.543 13.939 1.00 3.40 N ATOM 0 H LYS X 59 -2.677 0.241 11.023 1.00 31.41 H new ATOM 0 HA LYS X 59 0.029 0.599 11.855 1.00 23.11 H new ATOM 0 HB2 LYS X 59 -2.477 -0.635 12.903 1.00 70.02 H new ATOM 0 HB3 LYS X 59 -1.000 -1.307 13.565 1.00 70.02 H new ATOM 0 HG2 LYS X 59 -1.688 0.598 14.961 1.00 55.05 H new ATOM 0 HG3 LYS X 59 -0.208 1.026 14.125 1.00 55.05 H new ATOM 0 HD2 LYS X 59 -1.687 2.091 12.292 1.00 62.22 H new ATOM 0 HD3 LYS X 59 -3.051 1.859 13.367 1.00 62.22 H new ATOM 0 HE2 LYS X 59 -2.168 4.124 13.716 1.00 50.01 H new ATOM 0 HE3 LYS X 59 -1.841 3.176 15.153 1.00 50.01 H new ATOM 0 HZ1 LYS X 59 0.050 4.559 14.062 1.00 3.40 H new ATOM 0 HZ2 LYS X 59 0.394 3.006 14.655 1.00 3.40 H new ATOM 0 HZ3 LYS X 59 0.170 3.248 12.990 1.00 3.40 H new ATOM 1005 N TYR X 60 -0.799 -2.439 10.822 1.00 42.01 N ATOM 1006 CA TYR X 60 -0.221 -3.730 10.345 1.00 51.15 C ATOM 1007 C TYR X 60 0.865 -3.438 9.306 1.00 2.02 C ATOM 1008 O TYR X 60 1.914 -4.051 9.297 1.00 64.33 O ATOM 1009 CB TYR X 60 -1.340 -4.574 9.720 1.00 13.51 C ATOM 1010 CG TYR X 60 -0.766 -5.814 9.073 1.00 65.44 C ATOM 1011 CD1 TYR X 60 -0.541 -6.964 9.842 1.00 34.21 C ATOM 1012 CD2 TYR X 60 -0.442 -5.809 7.710 1.00 14.42 C ATOM 1013 CE1 TYR X 60 0.003 -8.109 9.245 1.00 73.12 C ATOM 1014 CE2 TYR X 60 0.104 -6.953 7.116 1.00 20.13 C ATOM 1015 CZ TYR X 60 0.325 -8.104 7.883 1.00 21.11 C ATOM 1016 OH TYR X 60 0.862 -9.233 7.296 1.00 20.33 O ATOM 0 H TYR X 60 -1.815 -2.376 10.760 1.00 42.01 H new ATOM 0 HA TYR X 60 0.221 -4.279 11.177 1.00 51.15 H new ATOM 0 HB2 TYR X 60 -2.062 -4.857 10.486 1.00 13.51 H new ATOM 0 HB3 TYR X 60 -1.878 -3.984 8.977 1.00 13.51 H new ATOM 0 HD1 TYR X 60 -0.787 -6.968 10.894 1.00 34.21 H new ATOM 0 HD2 TYR X 60 -0.613 -4.922 7.117 1.00 14.42 H new ATOM 0 HE1 TYR X 60 0.174 -8.996 9.836 1.00 73.12 H new ATOM 0 HE2 TYR X 60 0.355 -6.948 6.066 1.00 20.13 H new ATOM 0 HH TYR X 60 1.026 -9.061 6.345 1.00 20.33 H new ATOM 1026 N ILE X 61 0.622 -2.492 8.436 1.00 15.44 N ATOM 1027 CA ILE X 61 1.639 -2.136 7.401 1.00 42.41 C ATOM 1028 C ILE X 61 2.901 -1.607 8.095 1.00 21.11 C ATOM 1029 O ILE X 61 4.010 -1.951 7.734 1.00 23.35 O ATOM 1030 CB ILE X 61 1.076 -1.042 6.488 1.00 73.44 C ATOM 1031 CG1 ILE X 61 -0.059 -1.608 5.623 1.00 2.41 C ATOM 1032 CG2 ILE X 61 2.193 -0.507 5.592 1.00 0.51 C ATOM 1033 CD1 ILE X 61 0.521 -2.370 4.428 1.00 15.23 C ATOM 0 H ILE X 61 -0.240 -1.949 8.398 1.00 15.44 H new ATOM 0 HA ILE X 61 1.882 -3.019 6.810 1.00 42.41 H new ATOM 0 HB ILE X 61 0.679 -0.232 7.100 1.00 73.44 H new ATOM 0 HG12 ILE X 61 -0.685 -2.272 6.219 1.00 2.41 H new ATOM 0 HG13 ILE X 61 -0.698 -0.798 5.272 1.00 2.41 H new ATOM 0 HG21 ILE X 61 1.796 0.272 4.941 1.00 0.51 H new ATOM 0 HG22 ILE X 61 2.988 -0.092 6.211 1.00 0.51 H new ATOM 0 HG23 ILE X 61 2.592 -1.319 4.984 1.00 0.51 H new ATOM 0 HD11 ILE X 61 -0.292 -2.768 3.821 1.00 15.23 H new ATOM 0 HD12 ILE X 61 1.127 -1.694 3.825 1.00 15.23 H new ATOM 0 HD13 ILE X 61 1.141 -3.192 4.787 1.00 15.23 H new ATOM 1045 N TYR X 62 2.736 -0.774 9.091 1.00 12.33 N ATOM 1046 CA TYR X 62 3.919 -0.218 9.809 1.00 32.53 C ATOM 1047 C TYR X 62 4.773 -1.378 10.334 1.00 31.32 C ATOM 1048 O TYR X 62 5.977 -1.404 10.168 1.00 63.12 O ATOM 1049 CB TYR X 62 3.442 0.652 10.984 1.00 13.11 C ATOM 1050 CG TYR X 62 3.405 2.107 10.564 1.00 61.33 C ATOM 1051 CD1 TYR X 62 2.627 2.499 9.467 1.00 75.34 C ATOM 1052 CD2 TYR X 62 4.157 3.063 11.263 1.00 44.50 C ATOM 1053 CE1 TYR X 62 2.596 3.843 9.071 1.00 22.40 C ATOM 1054 CE2 TYR X 62 4.127 4.406 10.865 1.00 2.24 C ATOM 1055 CZ TYR X 62 3.346 4.796 9.768 1.00 0.03 C ATOM 1056 OH TYR X 62 3.317 6.119 9.374 1.00 34.21 O ATOM 0 H TYR X 62 1.831 -0.455 9.437 1.00 12.33 H new ATOM 0 HA TYR X 62 4.512 0.394 9.130 1.00 32.53 H new ATOM 0 HB2 TYR X 62 2.451 0.332 11.307 1.00 13.11 H new ATOM 0 HB3 TYR X 62 4.110 0.527 11.836 1.00 13.11 H new ATOM 0 HD1 TYR X 62 2.050 1.764 8.925 1.00 75.34 H new ATOM 0 HD2 TYR X 62 4.759 2.764 12.108 1.00 44.50 H new ATOM 0 HE1 TYR X 62 1.993 4.143 8.227 1.00 22.40 H new ATOM 0 HE2 TYR X 62 4.706 5.141 11.404 1.00 2.24 H new ATOM 0 HH TYR X 62 2.417 6.347 9.061 1.00 34.21 H new ATOM 1066 N ASP X 63 4.152 -2.337 10.964 1.00 1.25 N ATOM 1067 CA ASP X 63 4.908 -3.502 11.502 1.00 21.15 C ATOM 1068 C ASP X 63 5.437 -4.344 10.337 1.00 72.11 C ATOM 1069 O ASP X 63 6.511 -4.912 10.405 1.00 13.14 O ATOM 1070 CB ASP X 63 3.968 -4.347 12.371 1.00 3.44 C ATOM 1071 CG ASP X 63 4.784 -5.322 13.224 1.00 15.21 C ATOM 1072 OD1 ASP X 63 5.525 -4.853 14.072 1.00 33.55 O ATOM 1073 OD2 ASP X 63 4.659 -6.516 13.014 1.00 24.11 O ATOM 0 H ASP X 63 3.146 -2.363 11.130 1.00 1.25 H new ATOM 0 HA ASP X 63 5.748 -3.157 12.104 1.00 21.15 H new ATOM 0 HB2 ASP X 63 3.372 -3.699 13.013 1.00 3.44 H new ATOM 0 HB3 ASP X 63 3.271 -4.898 11.739 1.00 3.44 H new ATOM 1078 N ARG X 64 4.685 -4.425 9.263 1.00 42.41 N ATOM 1079 CA ARG X 64 5.125 -5.230 8.079 1.00 71.21 C ATOM 1080 C ARG X 64 6.318 -4.544 7.408 1.00 62.30 C ATOM 1081 O ARG X 64 7.326 -5.163 7.123 1.00 72.05 O ATOM 1082 CB ARG X 64 3.961 -5.341 7.071 1.00 20.55 C ATOM 1083 CG ARG X 64 4.329 -6.336 5.956 1.00 10.10 C ATOM 1084 CD ARG X 64 3.934 -7.760 6.375 1.00 10.04 C ATOM 1085 NE ARG X 64 4.932 -8.279 7.387 1.00 70.41 N ATOM 1086 CZ ARG X 64 4.722 -9.379 8.024 1.00 4.21 C ATOM 1087 NH1 ARG X 64 3.670 -10.053 7.742 1.00 44.51 N ATOM 1088 NH2 ARG X 64 5.578 -9.808 8.930 1.00 22.00 N ATOM 0 H ARG X 64 3.781 -3.965 9.156 1.00 42.41 H new ATOM 0 HA ARG X 64 5.418 -6.227 8.407 1.00 71.21 H new ATOM 0 HB2 ARG X 64 3.056 -5.671 7.581 1.00 20.55 H new ATOM 0 HB3 ARG X 64 3.746 -4.363 6.641 1.00 20.55 H new ATOM 0 HG2 ARG X 64 3.819 -6.065 5.032 1.00 10.10 H new ATOM 0 HG3 ARG X 64 5.399 -6.290 5.755 1.00 10.10 H new ATOM 0 HD2 ARG X 64 2.931 -7.761 6.803 1.00 10.04 H new ATOM 0 HD3 ARG X 64 3.909 -8.414 5.503 1.00 10.04 H new ATOM 0 HE ARG X 64 5.785 -7.749 7.568 1.00 70.41 H new ATOM 0 HH11 ARG X 64 3.024 -9.715 7.029 1.00 44.51 H new ATOM 0 HH12 ARG X 64 3.478 -10.928 8.231 1.00 44.51 H new ATOM 0 HH21 ARG X 64 6.419 -9.267 9.134 1.00 22.00 H new ATOM 0 HH22 ARG X 64 5.400 -10.681 9.427 1.00 22.00 H new ATOM 1102 N ILE X 65 6.210 -3.268 7.155 1.00 3.24 N ATOM 1103 CA ILE X 65 7.334 -2.535 6.499 1.00 11.14 C ATOM 1104 C ILE X 65 8.585 -2.584 7.390 1.00 50.21 C ATOM 1105 O ILE X 65 9.686 -2.773 6.913 1.00 52.03 O ATOM 1106 CB ILE X 65 6.935 -1.071 6.277 1.00 24.12 C ATOM 1107 CG1 ILE X 65 5.752 -0.981 5.299 1.00 43.33 C ATOM 1108 CG2 ILE X 65 8.125 -0.299 5.708 1.00 0.41 C ATOM 1109 CD1 ILE X 65 6.133 -1.587 3.946 1.00 75.14 C ATOM 0 H ILE X 65 5.392 -2.700 7.374 1.00 3.24 H new ATOM 0 HA ILE X 65 7.552 -3.008 5.541 1.00 11.14 H new ATOM 0 HB ILE X 65 6.637 -0.639 7.232 1.00 24.12 H new ATOM 0 HG12 ILE X 65 4.890 -1.507 5.711 1.00 43.33 H new ATOM 0 HG13 ILE X 65 5.458 0.060 5.169 1.00 43.33 H new ATOM 0 HG21 ILE X 65 7.842 0.742 5.550 1.00 0.41 H new ATOM 0 HG22 ILE X 65 8.958 -0.346 6.409 1.00 0.41 H new ATOM 0 HG23 ILE X 65 8.425 -0.741 4.758 1.00 0.41 H new ATOM 0 HD11 ILE X 65 5.286 -1.516 3.264 1.00 75.14 H new ATOM 0 HD12 ILE X 65 6.981 -1.043 3.529 1.00 75.14 H new ATOM 0 HD13 ILE X 65 6.404 -2.634 4.080 1.00 75.14 H new ATOM 1121 N ARG X 66 8.423 -2.407 8.678 1.00 53.23 N ATOM 1122 CA ARG X 66 9.602 -2.436 9.595 1.00 11.54 C ATOM 1123 C ARG X 66 10.336 -3.779 9.458 1.00 3.41 C ATOM 1124 O ARG X 66 11.551 -3.838 9.443 1.00 51.11 O ATOM 1125 CB ARG X 66 9.143 -2.267 11.054 1.00 73.53 C ATOM 1126 CG ARG X 66 10.352 -2.209 11.996 1.00 51.42 C ATOM 1127 CD ARG X 66 9.868 -1.983 13.431 1.00 62.11 C ATOM 1128 NE ARG X 66 11.051 -1.772 14.352 1.00 53.32 N ATOM 1129 CZ ARG X 66 10.896 -1.443 15.587 1.00 21.12 C ATOM 1130 NH1 ARG X 66 9.710 -1.414 16.085 1.00 55.34 N ATOM 1131 NH2 ARG X 66 11.939 -1.168 16.341 1.00 13.23 N ATOM 0 H ARG X 66 7.525 -2.244 9.133 1.00 53.23 H new ATOM 0 HA ARG X 66 10.271 -1.619 9.326 1.00 11.54 H new ATOM 0 HB2 ARG X 66 8.554 -1.355 11.153 1.00 73.53 H new ATOM 0 HB3 ARG X 66 8.495 -3.097 11.336 1.00 73.53 H new ATOM 0 HG2 ARG X 66 10.920 -3.137 11.934 1.00 51.42 H new ATOM 0 HG3 ARG X 66 11.023 -1.404 11.696 1.00 51.42 H new ATOM 0 HD2 ARG X 66 9.209 -1.116 13.468 1.00 62.11 H new ATOM 0 HD3 ARG X 66 9.285 -2.841 13.766 1.00 62.11 H new ATOM 0 HE ARG X 66 11.995 -1.894 13.985 1.00 53.32 H new ATOM 0 HH11 ARG X 66 8.906 -1.650 15.503 1.00 55.34 H new ATOM 0 HH12 ARG X 66 9.573 -1.155 17.062 1.00 55.34 H new ATOM 0 HH21 ARG X 66 12.879 -1.215 15.948 1.00 13.23 H new ATOM 0 HH22 ARG X 66 11.807 -0.908 17.319 1.00 13.23 H new ATOM 1145 N LYS X 67 9.605 -4.859 9.364 1.00 23.21 N ATOM 1146 CA LYS X 67 10.251 -6.204 9.243 1.00 24.41 C ATOM 1147 C LYS X 67 11.104 -6.253 7.969 1.00 70.53 C ATOM 1148 O LYS X 67 12.256 -6.638 8.001 1.00 45.21 O ATOM 1149 CB LYS X 67 9.160 -7.285 9.188 1.00 33.51 C ATOM 1150 CG LYS X 67 9.797 -8.680 9.121 1.00 70.43 C ATOM 1151 CD LYS X 67 8.691 -9.747 9.125 1.00 74.23 C ATOM 1152 CE LYS X 67 9.316 -11.146 9.086 1.00 53.22 C ATOM 1153 NZ LYS X 67 8.242 -12.178 9.205 1.00 44.15 N ATOM 0 H LYS X 67 8.585 -4.870 9.366 1.00 23.21 H new ATOM 0 HA LYS X 67 10.893 -6.383 10.105 1.00 24.41 H new ATOM 0 HB2 LYS X 67 8.521 -7.211 10.068 1.00 33.51 H new ATOM 0 HB3 LYS X 67 8.524 -7.126 8.317 1.00 33.51 H new ATOM 0 HG2 LYS X 67 10.403 -8.772 8.220 1.00 70.43 H new ATOM 0 HG3 LYS X 67 10.464 -8.829 9.970 1.00 70.43 H new ATOM 0 HD2 LYS X 67 8.073 -9.640 10.017 1.00 74.23 H new ATOM 0 HD3 LYS X 67 8.036 -9.608 8.265 1.00 74.23 H new ATOM 0 HE2 LYS X 67 9.865 -11.284 8.155 1.00 53.22 H new ATOM 0 HE3 LYS X 67 10.033 -11.258 9.899 1.00 53.22 H new ATOM 0 HZ1 LYS X 67 8.668 -13.127 9.178 1.00 44.15 H new ATOM 0 HZ2 LYS X 67 7.736 -12.051 10.105 1.00 44.15 H new ATOM 0 HZ3 LYS X 67 7.574 -12.076 8.415 1.00 44.15 H new ATOM 1167 N LEU X 68 10.554 -5.858 6.851 1.00 31.43 N ATOM 1168 CA LEU X 68 11.345 -5.870 5.585 1.00 72.03 C ATOM 1169 C LEU X 68 12.461 -4.824 5.683 1.00 42.20 C ATOM 1170 O LEU X 68 13.519 -4.971 5.105 1.00 42.12 O ATOM 1171 CB LEU X 68 10.441 -5.512 4.401 1.00 20.21 C ATOM 1172 CG LEU X 68 9.355 -6.573 4.207 1.00 64.23 C ATOM 1173 CD1 LEU X 68 8.389 -6.100 3.117 1.00 74.35 C ATOM 1174 CD2 LEU X 68 9.987 -7.899 3.772 1.00 40.12 C ATOM 0 H LEU X 68 9.593 -5.528 6.760 1.00 31.43 H new ATOM 0 HA LEU X 68 11.766 -6.864 5.435 1.00 72.03 H new ATOM 0 HB2 LEU X 68 9.979 -4.539 4.571 1.00 20.21 H new ATOM 0 HB3 LEU X 68 11.039 -5.427 3.494 1.00 20.21 H new ATOM 0 HG LEU X 68 8.824 -6.721 5.147 1.00 64.23 H new ATOM 0 HD11 LEU X 68 7.611 -6.849 2.971 1.00 74.35 H new ATOM 0 HD12 LEU X 68 7.933 -5.157 3.419 1.00 74.35 H new ATOM 0 HD13 LEU X 68 8.935 -5.957 2.184 1.00 74.35 H new ATOM 0 HD21 LEU X 68 9.206 -8.647 3.637 1.00 40.12 H new ATOM 0 HD22 LEU X 68 10.520 -7.757 2.832 1.00 40.12 H new ATOM 0 HD23 LEU X 68 10.685 -8.238 4.537 1.00 40.12 H new ATOM 1186 N CYS X 69 12.222 -3.760 6.405 1.00 1.33 N ATOM 1187 CA CYS X 69 13.253 -2.687 6.528 1.00 64.55 C ATOM 1188 C CYS X 69 14.514 -3.254 7.185 1.00 14.44 C ATOM 1189 O CYS X 69 15.621 -2.997 6.754 1.00 34.45 O ATOM 1190 CB CYS X 69 12.699 -1.548 7.387 1.00 2.02 C ATOM 1191 SG CYS X 69 13.209 -1.786 9.109 1.00 62.31 S ATOM 0 H CYS X 69 11.356 -3.588 6.915 1.00 1.33 H new ATOM 0 HA CYS X 69 13.503 -2.310 5.536 1.00 64.55 H new ATOM 0 HB2 CYS X 69 13.064 -0.589 7.018 1.00 2.02 H new ATOM 0 HB3 CYS X 69 11.611 -1.523 7.319 1.00 2.02 H new ATOM 0 HG CYS X 69 12.449 -2.681 9.667 1.00 62.31 H new ATOM 1197 N LYS X 70 14.353 -4.028 8.223 1.00 70.53 N ATOM 1198 CA LYS X 70 15.536 -4.633 8.895 1.00 4.10 C ATOM 1199 C LYS X 70 16.184 -5.658 7.959 1.00 62.34 C ATOM 1200 O LYS X 70 17.383 -5.857 7.971 1.00 74.54 O ATOM 1201 CB LYS X 70 15.094 -5.344 10.177 1.00 65.10 C ATOM 1202 CG LYS X 70 14.355 -4.366 11.100 1.00 11.24 C ATOM 1203 CD LYS X 70 15.271 -3.195 11.461 1.00 42.51 C ATOM 1204 CE LYS X 70 14.730 -2.489 12.710 1.00 24.42 C ATOM 1205 NZ LYS X 70 15.644 -1.374 13.089 1.00 61.00 N ATOM 0 H LYS X 70 13.451 -4.268 8.635 1.00 70.53 H new ATOM 0 HA LYS X 70 16.250 -3.846 9.138 1.00 4.10 H new ATOM 0 HB2 LYS X 70 14.444 -6.183 9.930 1.00 65.10 H new ATOM 0 HB3 LYS X 70 15.963 -5.754 10.692 1.00 65.10 H new ATOM 0 HG2 LYS X 70 13.456 -3.997 10.607 1.00 11.24 H new ATOM 0 HG3 LYS X 70 14.034 -4.880 12.006 1.00 11.24 H new ATOM 0 HD2 LYS X 70 16.284 -3.554 11.643 1.00 42.51 H new ATOM 0 HD3 LYS X 70 15.327 -2.493 10.629 1.00 42.51 H new ATOM 0 HE2 LYS X 70 13.729 -2.103 12.517 1.00 24.42 H new ATOM 0 HE3 LYS X 70 14.645 -3.199 13.533 1.00 24.42 H new ATOM 0 HZ1 LYS X 70 15.276 -0.896 13.936 1.00 61.00 H new ATOM 0 HZ2 LYS X 70 16.591 -1.754 13.290 1.00 61.00 H new ATOM 0 HZ3 LYS X 70 15.704 -0.693 12.306 1.00 61.00 H new ATOM 1219 N GLU X 71 15.394 -6.320 7.154 1.00 24.24 N ATOM 1220 CA GLU X 71 15.946 -7.368 6.243 1.00 14.11 C ATOM 1221 C GLU X 71 17.005 -6.767 5.311 1.00 54.03 C ATOM 1222 O GLU X 71 18.171 -7.101 5.388 1.00 1.11 O ATOM 1223 CB GLU X 71 14.819 -7.953 5.391 1.00 61.12 C ATOM 1224 CG GLU X 71 13.907 -8.819 6.256 1.00 64.43 C ATOM 1225 CD GLU X 71 14.661 -10.070 6.708 1.00 22.04 C ATOM 1226 OE1 GLU X 71 15.627 -10.426 6.052 1.00 50.20 O ATOM 1227 OE2 GLU X 71 14.262 -10.651 7.702 1.00 55.33 O ATOM 0 H GLU X 71 14.386 -6.179 7.088 1.00 24.24 H new ATOM 0 HA GLU X 71 16.402 -8.148 6.852 1.00 14.11 H new ATOM 0 HB2 GLU X 71 14.243 -7.149 4.933 1.00 61.12 H new ATOM 0 HB3 GLU X 71 15.237 -8.548 4.579 1.00 61.12 H new ATOM 0 HG2 GLU X 71 13.568 -8.253 7.124 1.00 64.43 H new ATOM 0 HG3 GLU X 71 13.017 -9.102 5.693 1.00 64.43 H new ATOM 1234 N HIS X 72 16.608 -5.900 4.418 1.00 34.31 N ATOM 1235 CA HIS X 72 17.587 -5.325 3.452 1.00 40.10 C ATOM 1236 C HIS X 72 18.318 -4.139 4.096 1.00 21.44 C ATOM 1237 O HIS X 72 19.022 -3.401 3.434 1.00 41.44 O ATOM 1238 CB HIS X 72 16.845 -4.859 2.198 1.00 73.40 C ATOM 1239 CG HIS X 72 15.612 -4.087 2.592 1.00 41.11 C ATOM 1240 ND1 HIS X 72 15.653 -2.740 2.923 1.00 23.33 N ATOM 1241 CD2 HIS X 72 14.295 -4.460 2.706 1.00 42.33 C ATOM 1242 CE1 HIS X 72 14.398 -2.355 3.217 1.00 1.21 C ATOM 1243 NE2 HIS X 72 13.535 -3.365 3.100 1.00 35.23 N ATOM 0 H HIS X 72 15.650 -5.566 4.316 1.00 34.31 H new ATOM 0 HA HIS X 72 18.319 -6.085 3.179 1.00 40.10 H new ATOM 0 HB2 HIS X 72 17.498 -4.233 1.589 1.00 73.40 H new ATOM 0 HB3 HIS X 72 16.568 -5.719 1.588 1.00 73.40 H new ATOM 0 HD2 HIS X 72 13.909 -5.451 2.518 1.00 42.33 H new ATOM 0 HE1 HIS X 72 14.123 -1.353 3.511 1.00 1.21 H new ATOM 0 HE2 HIS X 72 12.529 -3.339 3.265 1.00 35.23 H new ATOM 1252 N ASN X 73 18.157 -3.956 5.377 1.00 62.51 N ATOM 1253 CA ASN X 73 18.861 -2.837 6.074 1.00 40.03 C ATOM 1254 C ASN X 73 19.054 -1.664 5.113 1.00 50.53 C ATOM 1255 O ASN X 73 20.122 -1.087 5.035 1.00 20.41 O ATOM 1256 CB ASN X 73 20.229 -3.324 6.559 1.00 32.24 C ATOM 1257 CG ASN X 73 20.822 -2.273 7.504 1.00 52.32 C ATOM 1258 OD1 ASN X 73 20.687 -2.424 8.797 1.00 43.45 O flip ATOM 1259 ND2 ASN X 73 21.428 -1.315 7.069 1.00 2.51 N flip ATOM 0 H ASN X 73 17.567 -4.534 5.975 1.00 62.51 H new ATOM 0 HA ASN X 73 18.262 -2.510 6.924 1.00 40.03 H new ATOM 0 HB2 ASN X 73 20.129 -4.280 7.073 1.00 32.24 H new ATOM 0 HB3 ASN X 73 20.894 -3.487 5.711 1.00 32.24 H new ATOM 0 HD21 ASN X 73 21.535 -1.194 6.062 1.00 2.51 H new ATOM 0 HD22 ASN X 73 21.830 -0.631 7.711 1.00 2.51 H new ATOM 1266 N VAL X 74 18.041 -1.304 4.380 1.00 63.43 N ATOM 1267 CA VAL X 74 18.180 -0.153 3.446 1.00 33.33 C ATOM 1268 C VAL X 74 18.092 1.156 4.238 1.00 70.51 C ATOM 1269 O VAL X 74 18.824 2.093 3.992 1.00 55.11 O ATOM 1270 CB VAL X 74 17.060 -0.206 2.406 1.00 14.40 C ATOM 1271 CG1 VAL X 74 16.936 1.151 1.713 1.00 64.23 C ATOM 1272 CG2 VAL X 74 17.382 -1.281 1.367 1.00 4.12 C ATOM 0 H VAL X 74 17.126 -1.754 4.386 1.00 63.43 H new ATOM 0 HA VAL X 74 19.144 -0.204 2.939 1.00 33.33 H new ATOM 0 HB VAL X 74 16.119 -0.446 2.900 1.00 14.40 H new ATOM 0 HG11 VAL X 74 16.137 1.110 0.973 1.00 64.23 H new ATOM 0 HG12 VAL X 74 16.706 1.918 2.453 1.00 64.23 H new ATOM 0 HG13 VAL X 74 17.877 1.394 1.219 1.00 64.23 H new ATOM 0 HG21 VAL X 74 16.585 -1.320 0.625 1.00 4.12 H new ATOM 0 HG22 VAL X 74 18.324 -1.041 0.875 1.00 4.12 H new ATOM 0 HG23 VAL X 74 17.467 -2.250 1.860 1.00 4.12 H new ATOM 1282 N ASP X 75 17.206 1.220 5.199 1.00 3.11 N ATOM 1283 CA ASP X 75 17.063 2.471 6.001 1.00 25.14 C ATOM 1284 C ASP X 75 16.148 2.220 7.203 1.00 1.24 C ATOM 1285 O ASP X 75 15.908 1.093 7.592 1.00 61.21 O ATOM 1286 CB ASP X 75 16.469 3.577 5.127 1.00 42.25 C ATOM 1287 CG ASP X 75 15.095 3.147 4.608 1.00 44.35 C ATOM 1288 OD1 ASP X 75 14.732 2.003 4.824 1.00 62.30 O ATOM 1289 OD2 ASP X 75 14.428 3.970 4.004 1.00 0.10 O ATOM 0 H ASP X 75 16.577 0.461 5.462 1.00 3.11 H new ATOM 0 HA ASP X 75 18.046 2.779 6.358 1.00 25.14 H new ATOM 0 HB2 ASP X 75 16.378 4.498 5.702 1.00 42.25 H new ATOM 0 HB3 ASP X 75 17.134 3.788 4.290 1.00 42.25 H new ATOM 1294 N GLU X 76 15.640 3.268 7.801 1.00 41.45 N ATOM 1295 CA GLU X 76 14.740 3.097 8.979 1.00 23.33 C ATOM 1296 C GLU X 76 13.535 4.038 8.863 1.00 42.04 C ATOM 1297 O GLU X 76 12.536 3.713 8.252 1.00 14.43 O ATOM 1298 CB GLU X 76 15.512 3.428 10.262 1.00 54.01 C ATOM 1299 CG GLU X 76 16.417 2.250 10.632 1.00 62.45 C ATOM 1300 CD GLU X 76 17.600 2.191 9.661 1.00 52.23 C ATOM 1301 OE1 GLU X 76 17.837 3.178 8.983 1.00 25.52 O ATOM 1302 OE2 GLU X 76 18.250 1.161 9.613 1.00 11.55 O ATOM 0 H GLU X 76 15.810 4.235 7.523 1.00 41.45 H new ATOM 0 HA GLU X 76 14.390 2.065 9.010 1.00 23.33 H new ATOM 0 HB2 GLU X 76 16.110 4.328 10.117 1.00 54.01 H new ATOM 0 HB3 GLU X 76 14.816 3.635 11.075 1.00 54.01 H new ATOM 0 HG2 GLU X 76 16.777 2.361 11.655 1.00 62.45 H new ATOM 0 HG3 GLU X 76 15.853 1.318 10.592 1.00 62.45 H new ATOM 1309 N ASN X 77 13.620 5.197 9.462 1.00 10.10 N ATOM 1310 CA ASN X 77 12.477 6.158 9.418 1.00 15.13 C ATOM 1311 C ASN X 77 12.205 6.617 7.982 1.00 23.04 C ATOM 1312 O ASN X 77 11.073 6.666 7.548 1.00 63.24 O ATOM 1313 CB ASN X 77 12.802 7.377 10.286 1.00 22.42 C ATOM 1314 CG ASN X 77 14.174 7.939 9.902 1.00 60.52 C ATOM 1315 OD1 ASN X 77 15.191 7.336 10.185 1.00 40.32 O ATOM 1316 ND2 ASN X 77 14.247 9.081 9.274 1.00 51.52 N ATOM 0 H ASN X 77 14.435 5.521 9.982 1.00 10.10 H new ATOM 0 HA ASN X 77 11.588 5.655 9.797 1.00 15.13 H new ATOM 0 HB2 ASN X 77 12.036 8.142 10.155 1.00 22.42 H new ATOM 0 HB3 ASN X 77 12.796 7.096 11.339 1.00 22.42 H new ATOM 0 HD21 ASN X 77 15.157 9.467 9.021 1.00 51.52 H new ATOM 0 HD22 ASN X 77 13.394 9.588 9.036 1.00 51.52 H new ATOM 1323 N ILE X 78 13.222 6.969 7.246 1.00 31.54 N ATOM 1324 CA ILE X 78 12.996 7.439 5.847 1.00 21.51 C ATOM 1325 C ILE X 78 12.055 6.478 5.115 1.00 53.20 C ATOM 1326 O ILE X 78 11.195 6.888 4.363 1.00 50.15 O ATOM 1327 CB ILE X 78 14.328 7.501 5.104 1.00 11.31 C ATOM 1328 CG1 ILE X 78 15.376 8.182 5.988 1.00 65.21 C ATOM 1329 CG2 ILE X 78 14.153 8.305 3.814 1.00 45.30 C ATOM 1330 CD1 ILE X 78 16.271 7.120 6.632 1.00 54.44 C ATOM 0 H ILE X 78 14.196 6.953 7.549 1.00 31.54 H new ATOM 0 HA ILE X 78 12.546 8.431 5.878 1.00 21.51 H new ATOM 0 HB ILE X 78 14.657 6.490 4.864 1.00 11.31 H new ATOM 0 HG12 ILE X 78 15.979 8.868 5.393 1.00 65.21 H new ATOM 0 HG13 ILE X 78 14.886 8.776 6.759 1.00 65.21 H new ATOM 0 HG21 ILE X 78 15.103 8.350 3.282 1.00 45.30 H new ATOM 0 HG22 ILE X 78 13.406 7.823 3.183 1.00 45.30 H new ATOM 0 HG23 ILE X 78 13.824 9.316 4.057 1.00 45.30 H new ATOM 0 HD11 ILE X 78 17.017 7.606 7.261 1.00 54.44 H new ATOM 0 HD12 ILE X 78 15.662 6.452 7.241 1.00 54.44 H new ATOM 0 HD13 ILE X 78 16.772 6.545 5.853 1.00 54.44 H new ATOM 1342 N GLY X 79 12.222 5.199 5.318 1.00 42.22 N ATOM 1343 CA GLY X 79 11.352 4.209 4.620 1.00 32.23 C ATOM 1344 C GLY X 79 9.923 4.272 5.172 1.00 22.41 C ATOM 1345 O GLY X 79 8.974 4.446 4.436 1.00 0.02 O ATOM 0 H GLY X 79 12.925 4.796 5.938 1.00 42.22 H new ATOM 0 HA2 GLY X 79 11.345 4.413 3.549 1.00 32.23 H new ATOM 0 HA3 GLY X 79 11.755 3.205 4.751 1.00 32.23 H new ATOM 1349 N ILE X 80 9.764 4.116 6.458 1.00 5.22 N ATOM 1350 CA ILE X 80 8.392 4.132 7.050 1.00 53.43 C ATOM 1351 C ILE X 80 7.739 5.504 6.848 1.00 35.43 C ATOM 1352 O ILE X 80 6.574 5.606 6.525 1.00 20.13 O ATOM 1353 CB ILE X 80 8.479 3.839 8.546 1.00 52.02 C ATOM 1354 CG1 ILE X 80 8.921 2.390 8.763 1.00 22.24 C ATOM 1355 CG2 ILE X 80 7.106 4.053 9.185 1.00 2.11 C ATOM 1356 CD1 ILE X 80 9.279 2.177 10.237 1.00 1.44 C ATOM 0 H ILE X 80 10.523 3.978 7.125 1.00 5.22 H new ATOM 0 HA ILE X 80 7.789 3.372 6.554 1.00 53.43 H new ATOM 0 HB ILE X 80 9.205 4.510 9.004 1.00 52.02 H new ATOM 0 HG12 ILE X 80 8.123 1.708 8.470 1.00 22.24 H new ATOM 0 HG13 ILE X 80 9.781 2.163 8.133 1.00 22.24 H new ATOM 0 HG21 ILE X 80 7.165 3.844 10.253 1.00 2.11 H new ATOM 0 HG22 ILE X 80 6.791 5.086 9.034 1.00 2.11 H new ATOM 0 HG23 ILE X 80 6.381 3.382 8.724 1.00 2.11 H new ATOM 0 HD11 ILE X 80 9.593 1.145 10.390 1.00 1.44 H new ATOM 0 HD12 ILE X 80 10.091 2.849 10.515 1.00 1.44 H new ATOM 0 HD13 ILE X 80 8.407 2.386 10.857 1.00 1.44 H new ATOM 1368 N LYS X 81 8.479 6.563 7.049 1.00 64.30 N ATOM 1369 CA LYS X 81 7.900 7.929 6.865 1.00 55.13 C ATOM 1370 C LYS X 81 7.341 8.090 5.442 1.00 54.33 C ATOM 1371 O LYS X 81 6.320 8.714 5.237 1.00 3.31 O ATOM 1372 CB LYS X 81 8.992 8.979 7.080 1.00 70.23 C ATOM 1373 CG LYS X 81 8.364 10.355 7.310 1.00 15.45 C ATOM 1374 CD LYS X 81 8.046 10.537 8.798 1.00 32.43 C ATOM 1375 CE LYS X 81 7.457 11.933 9.035 1.00 24.13 C ATOM 1376 NZ LYS X 81 7.174 12.113 10.489 1.00 52.33 N ATOM 0 H LYS X 81 9.459 6.542 7.332 1.00 64.30 H new ATOM 0 HA LYS X 81 7.095 8.063 7.588 1.00 55.13 H new ATOM 0 HB2 LYS X 81 9.607 8.704 7.937 1.00 70.23 H new ATOM 0 HB3 LYS X 81 9.651 9.012 6.212 1.00 70.23 H new ATOM 0 HG2 LYS X 81 9.046 11.137 6.976 1.00 15.45 H new ATOM 0 HG3 LYS X 81 7.453 10.453 6.719 1.00 15.45 H new ATOM 0 HD2 LYS X 81 7.340 9.774 9.125 1.00 32.43 H new ATOM 0 HD3 LYS X 81 8.951 10.408 9.391 1.00 32.43 H new ATOM 0 HE2 LYS X 81 8.155 12.697 8.692 1.00 24.13 H new ATOM 0 HE3 LYS X 81 6.541 12.056 8.457 1.00 24.13 H new ATOM 0 HZ1 LYS X 81 6.775 13.060 10.650 1.00 52.33 H new ATOM 0 HZ2 LYS X 81 6.493 11.392 10.802 1.00 52.33 H new ATOM 0 HZ3 LYS X 81 8.057 12.013 11.029 1.00 52.33 H new ATOM 1390 N ILE X 82 8.012 7.552 4.460 1.00 22.23 N ATOM 1391 CA ILE X 82 7.522 7.680 3.054 1.00 74.43 C ATOM 1392 C ILE X 82 6.212 6.899 2.862 1.00 33.03 C ATOM 1393 O ILE X 82 5.285 7.372 2.234 1.00 10.32 O ATOM 1394 CB ILE X 82 8.580 7.116 2.113 1.00 31.30 C ATOM 1395 CG1 ILE X 82 9.812 8.023 2.128 1.00 71.33 C ATOM 1396 CG2 ILE X 82 8.012 7.049 0.691 1.00 42.12 C ATOM 1397 CD1 ILE X 82 9.615 9.176 1.140 1.00 12.50 C ATOM 0 H ILE X 82 8.880 7.028 4.569 1.00 22.23 H new ATOM 0 HA ILE X 82 7.337 8.732 2.837 1.00 74.43 H new ATOM 0 HB ILE X 82 8.862 6.115 2.440 1.00 31.30 H new ATOM 0 HG12 ILE X 82 9.975 8.415 3.132 1.00 71.33 H new ATOM 0 HG13 ILE X 82 10.700 7.451 1.861 1.00 71.33 H new ATOM 0 HG21 ILE X 82 8.767 6.646 0.016 1.00 42.12 H new ATOM 0 HG22 ILE X 82 7.134 6.403 0.680 1.00 42.12 H new ATOM 0 HG23 ILE X 82 7.731 8.050 0.364 1.00 42.12 H new ATOM 0 HD11 ILE X 82 10.494 9.820 1.153 1.00 12.50 H new ATOM 0 HD12 ILE X 82 9.474 8.775 0.136 1.00 12.50 H new ATOM 0 HD13 ILE X 82 8.737 9.755 1.426 1.00 12.50 H new ATOM 1409 N PHE X 83 6.131 5.710 3.389 1.00 64.12 N ATOM 1410 CA PHE X 83 4.889 4.899 3.220 1.00 4.22 C ATOM 1411 C PHE X 83 3.674 5.702 3.701 1.00 64.44 C ATOM 1412 O PHE X 83 2.669 5.793 3.021 1.00 24.24 O ATOM 1413 CB PHE X 83 5.017 3.616 4.042 1.00 63.22 C ATOM 1414 CG PHE X 83 5.611 2.519 3.189 1.00 31.20 C ATOM 1415 CD1 PHE X 83 4.825 1.878 2.224 1.00 11.32 C ATOM 1416 CD2 PHE X 83 6.947 2.139 3.367 1.00 73.41 C ATOM 1417 CE1 PHE X 83 5.376 0.859 1.435 1.00 50.33 C ATOM 1418 CE2 PHE X 83 7.498 1.119 2.581 1.00 33.10 C ATOM 1419 CZ PHE X 83 6.711 0.479 1.616 1.00 63.33 C ATOM 0 H PHE X 83 6.871 5.262 3.930 1.00 64.12 H new ATOM 0 HA PHE X 83 4.754 4.650 2.167 1.00 4.22 H new ATOM 0 HB2 PHE X 83 5.647 3.793 4.914 1.00 63.22 H new ATOM 0 HB3 PHE X 83 4.038 3.311 4.413 1.00 63.22 H new ATOM 0 HD1 PHE X 83 3.794 2.169 2.087 1.00 11.32 H new ATOM 0 HD2 PHE X 83 7.553 2.633 4.112 1.00 73.41 H new ATOM 0 HE1 PHE X 83 4.771 0.367 0.688 1.00 50.33 H new ATOM 0 HE2 PHE X 83 8.528 0.827 2.719 1.00 33.10 H new ATOM 0 HZ PHE X 83 7.134 -0.309 1.011 1.00 63.33 H new ATOM 1429 N GLN X 84 3.756 6.283 4.864 1.00 3.32 N ATOM 1430 CA GLN X 84 2.614 7.084 5.391 1.00 51.11 C ATOM 1431 C GLN X 84 2.099 8.012 4.289 1.00 4.11 C ATOM 1432 O GLN X 84 0.915 8.072 4.016 1.00 74.53 O ATOM 1433 CB GLN X 84 3.103 7.910 6.584 1.00 23.32 C ATOM 1434 CG GLN X 84 1.937 8.687 7.201 1.00 55.20 C ATOM 1435 CD GLN X 84 0.915 7.695 7.760 1.00 32.22 C ATOM 1436 OE1 GLN X 84 1.279 6.662 8.289 1.00 35.30 O ATOM 1437 NE2 GLN X 84 -0.359 7.961 7.661 1.00 64.23 N ATOM 0 H GLN X 84 4.570 6.238 5.477 1.00 3.32 H new ATOM 0 HA GLN X 84 1.805 6.426 5.709 1.00 51.11 H new ATOM 0 HB2 GLN X 84 3.549 7.254 7.332 1.00 23.32 H new ATOM 0 HB3 GLN X 84 3.881 8.602 6.262 1.00 23.32 H new ATOM 0 HG2 GLN X 84 2.299 9.341 7.994 1.00 55.20 H new ATOM 0 HG3 GLN X 84 1.471 9.324 6.450 1.00 55.20 H new ATOM 0 HE21 GLN X 84 -0.666 8.827 7.218 1.00 64.23 H new ATOM 0 HE22 GLN X 84 -1.047 7.303 8.027 1.00 64.23 H new ATOM 1446 N ARG X 85 2.982 8.732 3.650 1.00 53.44 N ATOM 1447 CA ARG X 85 2.555 9.633 2.543 1.00 20.42 C ATOM 1448 C ARG X 85 1.774 8.815 1.502 1.00 64.32 C ATOM 1449 O ARG X 85 0.767 9.253 0.981 1.00 20.32 O ATOM 1450 CB ARG X 85 3.796 10.261 1.886 1.00 51.13 C ATOM 1451 CG ARG X 85 4.464 11.271 2.838 1.00 32.50 C ATOM 1452 CD ARG X 85 5.698 11.884 2.159 1.00 53.45 C ATOM 1453 NE ARG X 85 6.386 12.815 3.101 1.00 74.01 N ATOM 1454 CZ ARG X 85 5.813 13.950 3.423 1.00 41.40 C ATOM 1455 NH1 ARG X 85 4.619 14.228 2.957 1.00 43.13 N ATOM 1456 NH2 ARG X 85 6.381 14.784 4.259 1.00 33.34 N ATOM 0 H ARG X 85 3.983 8.734 3.848 1.00 53.44 H new ATOM 0 HA ARG X 85 1.918 10.426 2.936 1.00 20.42 H new ATOM 0 HB2 ARG X 85 4.507 9.479 1.620 1.00 51.13 H new ATOM 0 HB3 ARG X 85 3.510 10.760 0.960 1.00 51.13 H new ATOM 0 HG2 ARG X 85 3.757 12.056 3.106 1.00 32.50 H new ATOM 0 HG3 ARG X 85 4.755 10.775 3.764 1.00 32.50 H new ATOM 0 HD2 ARG X 85 6.383 11.095 1.849 1.00 53.45 H new ATOM 0 HD3 ARG X 85 5.400 12.419 1.258 1.00 53.45 H new ATOM 0 HE ARG X 85 7.296 12.570 3.492 1.00 74.01 H new ATOM 0 HH11 ARG X 85 4.142 13.563 2.348 1.00 43.13 H new ATOM 0 HH12 ARG X 85 4.168 15.109 3.204 1.00 43.13 H new ATOM 0 HH21 ARG X 85 7.285 14.555 4.672 1.00 33.34 H new ATOM 0 HH22 ARG X 85 5.919 15.662 4.497 1.00 33.34 H new ATOM 1470 N LEU X 86 2.235 7.627 1.202 1.00 62.43 N ATOM 1471 CA LEU X 86 1.519 6.764 0.211 1.00 30.43 C ATOM 1472 C LEU X 86 0.129 6.403 0.744 1.00 24.03 C ATOM 1473 O LEU X 86 -0.839 6.369 0.011 1.00 63.14 O ATOM 1474 CB LEU X 86 2.316 5.472 -0.008 1.00 45.15 C ATOM 1475 CG LEU X 86 1.746 4.692 -1.196 1.00 44.52 C ATOM 1476 CD1 LEU X 86 2.350 5.219 -2.499 1.00 44.13 C ATOM 1477 CD2 LEU X 86 2.075 3.210 -1.043 1.00 71.33 C ATOM 0 H LEU X 86 3.079 7.216 1.601 1.00 62.43 H new ATOM 0 HA LEU X 86 1.421 7.307 -0.729 1.00 30.43 H new ATOM 0 HB2 LEU X 86 3.364 5.709 -0.189 1.00 45.15 H new ATOM 0 HB3 LEU X 86 2.279 4.857 0.891 1.00 45.15 H new ATOM 0 HG LEU X 86 0.664 4.821 -1.223 1.00 44.52 H new ATOM 0 HD11 LEU X 86 1.941 4.661 -3.341 1.00 44.13 H new ATOM 0 HD12 LEU X 86 2.107 6.276 -2.612 1.00 44.13 H new ATOM 0 HD13 LEU X 86 3.433 5.097 -2.474 1.00 44.13 H new ATOM 0 HD21 LEU X 86 1.668 2.658 -1.890 1.00 71.33 H new ATOM 0 HD22 LEU X 86 3.157 3.079 -1.010 1.00 71.33 H new ATOM 0 HD23 LEU X 86 1.636 2.833 -0.119 1.00 71.33 H new ATOM 1489 N ILE X 87 0.025 6.126 2.018 1.00 34.44 N ATOM 1490 CA ILE X 87 -1.302 5.765 2.603 1.00 64.33 C ATOM 1491 C ILE X 87 -2.269 6.944 2.452 1.00 20.30 C ATOM 1492 O ILE X 87 -3.424 6.774 2.120 1.00 4.44 O ATOM 1493 CB ILE X 87 -1.129 5.431 4.087 1.00 43.52 C ATOM 1494 CG1 ILE X 87 -0.043 4.360 4.251 1.00 72.15 C ATOM 1495 CG2 ILE X 87 -2.448 4.912 4.656 1.00 50.02 C ATOM 1496 CD1 ILE X 87 -0.358 3.157 3.359 1.00 42.22 C ATOM 0 H ILE X 87 0.802 6.134 2.679 1.00 34.44 H new ATOM 0 HA ILE X 87 -1.706 4.899 2.079 1.00 64.33 H new ATOM 0 HB ILE X 87 -0.834 6.332 4.625 1.00 43.52 H new ATOM 0 HG12 ILE X 87 0.930 4.774 3.988 1.00 72.15 H new ATOM 0 HG13 ILE X 87 0.015 4.046 5.293 1.00 72.15 H new ATOM 0 HG21 ILE X 87 -2.321 4.675 5.712 1.00 50.02 H new ATOM 0 HG22 ILE X 87 -3.218 5.676 4.546 1.00 50.02 H new ATOM 0 HG23 ILE X 87 -2.748 4.014 4.117 1.00 50.02 H new ATOM 0 HD11 ILE X 87 0.417 2.401 3.481 1.00 42.22 H new ATOM 0 HD12 ILE X 87 -1.323 2.736 3.643 1.00 42.22 H new ATOM 0 HD13 ILE X 87 -0.393 3.476 2.317 1.00 42.22 H new ATOM 1508 N GLU X 88 -1.802 8.140 2.689 1.00 74.11 N ATOM 1509 CA GLU X 88 -2.692 9.332 2.570 1.00 13.14 C ATOM 1510 C GLU X 88 -3.392 9.304 1.208 1.00 20.12 C ATOM 1511 O GLU X 88 -4.595 9.447 1.111 1.00 40.25 O ATOM 1512 CB GLU X 88 -1.845 10.602 2.689 1.00 42.41 C ATOM 1513 CG GLU X 88 -1.256 10.713 4.097 1.00 45.01 C ATOM 1514 CD GLU X 88 -2.392 10.907 5.106 1.00 12.40 C ATOM 1515 OE1 GLU X 88 -3.465 11.313 4.691 1.00 73.00 O ATOM 1516 OE2 GLU X 88 -2.169 10.645 6.276 1.00 75.42 O ATOM 0 H GLU X 88 -0.840 8.344 2.961 1.00 74.11 H new ATOM 0 HA GLU X 88 -3.441 9.319 3.362 1.00 13.14 H new ATOM 0 HB2 GLU X 88 -1.043 10.583 1.951 1.00 42.41 H new ATOM 0 HB3 GLU X 88 -2.457 11.478 2.472 1.00 42.41 H new ATOM 0 HG2 GLU X 88 -0.689 9.814 4.339 1.00 45.01 H new ATOM 0 HG3 GLU X 88 -0.561 11.551 4.148 1.00 45.01 H new ATOM 1523 N HIS X 89 -2.643 9.116 0.156 1.00 31.35 N ATOM 1524 CA HIS X 89 -3.249 9.098 -1.206 1.00 5.44 C ATOM 1525 C HIS X 89 -4.164 7.876 -1.336 1.00 45.14 C ATOM 1526 O HIS X 89 -5.064 7.843 -2.153 1.00 4.14 O ATOM 1527 CB HIS X 89 -2.126 9.053 -2.249 1.00 2.51 C ATOM 1528 CG HIS X 89 -1.930 7.653 -2.769 1.00 72.25 C ATOM 1529 ND1 HIS X 89 -2.985 6.885 -3.244 1.00 43.44 N ATOM 1530 CD2 HIS X 89 -0.817 6.852 -2.850 1.00 0.55 C ATOM 1531 CE1 HIS X 89 -2.490 5.680 -3.583 1.00 44.21 C ATOM 1532 NE2 HIS X 89 -1.176 5.610 -3.362 1.00 4.33 N ATOM 0 H HIS X 89 -1.633 8.974 0.181 1.00 31.35 H new ATOM 0 HA HIS X 89 -3.846 9.995 -1.370 1.00 5.44 H new ATOM 0 HB2 HIS X 89 -2.365 9.722 -3.076 1.00 2.51 H new ATOM 0 HB3 HIS X 89 -1.198 9.414 -1.806 1.00 2.51 H new ATOM 0 HD1 HIS X 89 -3.958 7.180 -3.322 1.00 43.44 H new ATOM 0 HD2 HIS X 89 0.182 7.142 -2.561 1.00 0.55 H new ATOM 0 HE1 HIS X 89 -3.082 4.871 -3.984 1.00 44.21 H new ATOM 1541 N ASN X 90 -3.954 6.881 -0.517 1.00 33.24 N ATOM 1542 CA ASN X 90 -4.820 5.669 -0.561 1.00 34.44 C ATOM 1543 C ASN X 90 -6.208 6.036 -0.021 1.00 43.01 C ATOM 1544 O ASN X 90 -7.220 5.721 -0.615 1.00 54.24 O ATOM 1545 CB ASN X 90 -4.193 4.579 0.317 1.00 73.41 C ATOM 1546 CG ASN X 90 -4.640 3.196 -0.167 1.00 31.52 C ATOM 1547 OD1 ASN X 90 -3.869 2.518 -0.974 1.00 52.44 O flip ATOM 1548 ND2 ASN X 90 -5.697 2.724 0.199 1.00 43.21 N flip ATOM 0 H ASN X 90 -3.215 6.856 0.185 1.00 33.24 H new ATOM 0 HA ASN X 90 -4.911 5.303 -1.584 1.00 34.44 H new ATOM 0 HB2 ASN X 90 -3.106 4.652 0.281 1.00 73.41 H new ATOM 0 HB3 ASN X 90 -4.488 4.723 1.356 1.00 73.41 H new ATOM 0 HD21 ASN X 90 -6.300 3.252 0.829 1.00 43.21 H new ATOM 0 HD22 ASN X 90 -5.982 1.799 -0.124 1.00 43.21 H new ATOM 1555 N LYS X 91 -6.257 6.707 1.100 1.00 32.33 N ATOM 1556 CA LYS X 91 -7.569 7.129 1.675 1.00 20.42 C ATOM 1557 C LYS X 91 -8.125 8.290 0.850 1.00 63.20 C ATOM 1558 O LYS X 91 -9.264 8.687 0.996 1.00 0.42 O ATOM 1559 CB LYS X 91 -7.361 7.584 3.129 1.00 40.45 C ATOM 1560 CG LYS X 91 -6.995 6.383 4.009 1.00 72.33 C ATOM 1561 CD LYS X 91 -6.791 6.846 5.459 1.00 21.03 C ATOM 1562 CE LYS X 91 -6.513 5.634 6.356 1.00 2.14 C ATOM 1563 NZ LYS X 91 -5.230 4.991 5.945 1.00 62.21 N ATOM 0 H LYS X 91 -5.440 6.982 1.645 1.00 32.33 H new ATOM 0 HA LYS X 91 -8.271 6.295 1.652 1.00 20.42 H new ATOM 0 HB2 LYS X 91 -6.570 8.333 3.174 1.00 40.45 H new ATOM 0 HB3 LYS X 91 -8.269 8.056 3.504 1.00 40.45 H new ATOM 0 HG2 LYS X 91 -7.785 5.633 3.964 1.00 72.33 H new ATOM 0 HG3 LYS X 91 -6.086 5.911 3.637 1.00 72.33 H new ATOM 0 HD2 LYS X 91 -5.959 7.548 5.513 1.00 21.03 H new ATOM 0 HD3 LYS X 91 -7.677 7.374 5.810 1.00 21.03 H new ATOM 0 HE2 LYS X 91 -6.457 5.946 7.399 1.00 2.14 H new ATOM 0 HE3 LYS X 91 -7.331 4.918 6.281 1.00 2.14 H new ATOM 0 HZ1 LYS X 91 -5.377 3.969 5.823 1.00 62.21 H new ATOM 0 HZ2 LYS X 91 -4.907 5.404 5.047 1.00 62.21 H new ATOM 0 HZ3 LYS X 91 -4.510 5.152 6.678 1.00 62.21 H new ATOM 1577 N ALA X 92 -7.313 8.840 -0.010 1.00 21.32 N ATOM 1578 CA ALA X 92 -7.754 9.997 -0.847 1.00 42.04 C ATOM 1579 C ALA X 92 -8.655 9.541 -1.999 1.00 33.21 C ATOM 1580 O ALA X 92 -9.749 10.040 -2.172 1.00 2.23 O ATOM 1581 CB ALA X 92 -6.526 10.688 -1.440 1.00 12.50 C ATOM 0 H ALA X 92 -6.353 8.536 -0.172 1.00 21.32 H new ATOM 0 HA ALA X 92 -8.316 10.679 -0.209 1.00 42.04 H new ATOM 0 HB1 ALA X 92 -6.844 11.533 -2.051 1.00 12.50 H new ATOM 0 HB2 ALA X 92 -5.884 11.044 -0.634 1.00 12.50 H new ATOM 0 HB3 ALA X 92 -5.973 9.980 -2.058 1.00 12.50 H new ATOM 1587 N LEU X 93 -8.193 8.627 -2.810 1.00 71.31 N ATOM 1588 CA LEU X 93 -9.028 8.160 -3.956 1.00 42.45 C ATOM 1589 C LEU X 93 -10.095 7.170 -3.469 1.00 72.44 C ATOM 1590 O LEU X 93 -11.061 6.904 -4.158 1.00 45.13 O ATOM 1591 CB LEU X 93 -8.112 7.551 -5.035 1.00 44.10 C ATOM 1592 CG LEU X 93 -7.776 6.077 -4.759 1.00 31.02 C ATOM 1593 CD1 LEU X 93 -7.315 5.893 -3.313 1.00 54.54 C ATOM 1594 CD2 LEU X 93 -9.002 5.206 -5.028 1.00 74.41 C ATOM 0 H LEU X 93 -7.277 8.185 -2.730 1.00 71.31 H new ATOM 0 HA LEU X 93 -9.559 9.002 -4.401 1.00 42.45 H new ATOM 0 HB2 LEU X 93 -8.597 7.634 -6.008 1.00 44.10 H new ATOM 0 HB3 LEU X 93 -7.188 8.127 -5.090 1.00 44.10 H new ATOM 0 HG LEU X 93 -6.966 5.775 -5.423 1.00 31.02 H new ATOM 0 HD11 LEU X 93 -7.082 4.843 -3.136 1.00 54.54 H new ATOM 0 HD12 LEU X 93 -6.426 6.497 -3.135 1.00 54.54 H new ATOM 0 HD13 LEU X 93 -8.109 6.207 -2.635 1.00 54.54 H new ATOM 0 HD21 LEU X 93 -8.757 4.162 -4.831 1.00 74.41 H new ATOM 0 HD22 LEU X 93 -9.819 5.517 -4.377 1.00 74.41 H new ATOM 0 HD23 LEU X 93 -9.306 5.317 -6.069 1.00 74.41 H new ATOM 1606 N GLN X 94 -9.956 6.659 -2.280 1.00 51.33 N ATOM 1607 CA GLN X 94 -10.988 5.730 -1.745 1.00 23.03 C ATOM 1608 C GLN X 94 -12.249 6.532 -1.404 1.00 40.23 C ATOM 1609 O GLN X 94 -13.327 6.263 -1.904 1.00 53.40 O ATOM 1610 CB GLN X 94 -10.451 5.070 -0.473 1.00 63.41 C ATOM 1611 CG GLN X 94 -9.871 3.699 -0.814 1.00 73.30 C ATOM 1612 CD GLN X 94 -9.253 3.076 0.437 1.00 21.33 C ATOM 1613 OE1 GLN X 94 -8.056 2.555 0.365 1.00 53.33 O flip ATOM 1614 NE2 GLN X 94 -9.861 3.058 1.490 1.00 71.02 N flip ATOM 0 H GLN X 94 -9.172 6.844 -1.654 1.00 51.33 H new ATOM 0 HA GLN X 94 -11.225 4.966 -2.485 1.00 23.03 H new ATOM 0 HB2 GLN X 94 -9.684 5.699 -0.021 1.00 63.41 H new ATOM 0 HB3 GLN X 94 -11.251 4.966 0.260 1.00 63.41 H new ATOM 0 HG2 GLN X 94 -10.654 3.050 -1.207 1.00 73.30 H new ATOM 0 HG3 GLN X 94 -9.116 3.797 -1.594 1.00 73.30 H new ATOM 0 HE21 GLN X 94 -10.795 3.464 1.547 1.00 71.02 H new ATOM 0 HE22 GLN X 94 -9.437 2.637 2.317 1.00 71.02 H new ATOM 1623 N LYS X 95 -12.115 7.518 -0.557 1.00 24.23 N ATOM 1624 CA LYS X 95 -13.295 8.341 -0.156 1.00 52.15 C ATOM 1625 C LYS X 95 -13.821 9.116 -1.370 1.00 54.22 C ATOM 1626 O LYS X 95 -15.013 9.271 -1.548 1.00 63.00 O ATOM 1627 CB LYS X 95 -12.876 9.341 0.934 1.00 20.40 C ATOM 1628 CG LYS X 95 -12.514 8.599 2.226 1.00 31.14 C ATOM 1629 CD LYS X 95 -12.102 9.621 3.294 1.00 23.44 C ATOM 1630 CE LYS X 95 -11.721 8.898 4.589 1.00 42.12 C ATOM 1631 NZ LYS X 95 -11.324 9.901 5.622 1.00 42.02 N ATOM 0 H LYS X 95 -11.233 7.791 -0.123 1.00 24.23 H new ATOM 0 HA LYS X 95 -14.077 7.684 0.226 1.00 52.15 H new ATOM 0 HB2 LYS X 95 -12.023 9.926 0.591 1.00 20.40 H new ATOM 0 HB3 LYS X 95 -13.688 10.043 1.125 1.00 20.40 H new ATOM 0 HG2 LYS X 95 -13.365 8.014 2.574 1.00 31.14 H new ATOM 0 HG3 LYS X 95 -11.699 7.899 2.042 1.00 31.14 H new ATOM 0 HD2 LYS X 95 -11.260 10.213 2.937 1.00 23.44 H new ATOM 0 HD3 LYS X 95 -12.922 10.314 3.482 1.00 23.44 H new ATOM 0 HE2 LYS X 95 -12.562 8.305 4.948 1.00 42.12 H new ATOM 0 HE3 LYS X 95 -10.899 8.207 4.404 1.00 42.12 H new ATOM 0 HZ1 LYS X 95 -11.065 9.410 6.501 1.00 42.02 H new ATOM 0 HZ2 LYS X 95 -10.509 10.449 5.279 1.00 42.02 H new ATOM 0 HZ3 LYS X 95 -12.121 10.544 5.806 1.00 42.02 H new ATOM 1645 N GLN X 96 -12.943 9.611 -2.199 1.00 11.40 N ATOM 1646 CA GLN X 96 -13.391 10.385 -3.393 1.00 62.05 C ATOM 1647 C GLN X 96 -14.042 9.435 -4.403 1.00 13.43 C ATOM 1648 O GLN X 96 -15.050 9.750 -5.006 1.00 11.03 O ATOM 1649 CB GLN X 96 -12.181 11.074 -4.034 1.00 64.24 C ATOM 1650 CG GLN X 96 -11.831 12.344 -3.246 1.00 13.52 C ATOM 1651 CD GLN X 96 -12.881 13.424 -3.510 1.00 51.13 C ATOM 1652 OE1 GLN X 96 -12.892 14.033 -4.562 1.00 64.43 O ATOM 1653 NE2 GLN X 96 -13.773 13.689 -2.594 1.00 43.13 N ATOM 0 H GLN X 96 -11.932 9.513 -2.101 1.00 11.40 H new ATOM 0 HA GLN X 96 -14.118 11.139 -3.090 1.00 62.05 H new ATOM 0 HB2 GLN X 96 -11.328 10.395 -4.046 1.00 64.24 H new ATOM 0 HB3 GLN X 96 -12.402 11.327 -5.071 1.00 64.24 H new ATOM 0 HG2 GLN X 96 -11.786 12.121 -2.180 1.00 13.52 H new ATOM 0 HG3 GLN X 96 -10.845 12.704 -3.538 1.00 13.52 H new ATOM 0 HE21 GLN X 96 -13.764 13.178 -1.711 1.00 43.13 H new ATOM 0 HE22 GLN X 96 -14.478 14.407 -2.761 1.00 43.13 H new ATOM 1662 N TYR X 97 -13.472 8.275 -4.586 1.00 45.25 N ATOM 1663 CA TYR X 97 -14.029 7.300 -5.571 1.00 62.35 C ATOM 1664 C TYR X 97 -15.436 6.876 -5.139 1.00 71.21 C ATOM 1665 O TYR X 97 -16.374 6.926 -5.911 1.00 32.33 O ATOM 1666 CB TYR X 97 -13.115 6.071 -5.621 1.00 1.13 C ATOM 1667 CG TYR X 97 -13.774 4.970 -6.423 1.00 3.32 C ATOM 1668 CD1 TYR X 97 -13.828 5.060 -7.819 1.00 74.04 C ATOM 1669 CD2 TYR X 97 -14.346 3.871 -5.769 1.00 13.24 C ATOM 1670 CE1 TYR X 97 -14.444 4.047 -8.562 1.00 72.10 C ATOM 1671 CE2 TYR X 97 -14.965 2.858 -6.514 1.00 34.51 C ATOM 1672 CZ TYR X 97 -15.018 2.950 -7.910 1.00 72.34 C ATOM 1673 OH TYR X 97 -15.631 1.954 -8.643 1.00 3.11 O ATOM 0 H TYR X 97 -12.638 7.957 -4.092 1.00 45.25 H new ATOM 0 HA TYR X 97 -14.084 7.762 -6.557 1.00 62.35 H new ATOM 0 HB2 TYR X 97 -12.158 6.337 -6.070 1.00 1.13 H new ATOM 0 HB3 TYR X 97 -12.906 5.721 -4.610 1.00 1.13 H new ATOM 0 HD1 TYR X 97 -13.394 5.911 -8.322 1.00 74.04 H new ATOM 0 HD2 TYR X 97 -14.310 3.804 -4.692 1.00 13.24 H new ATOM 0 HE1 TYR X 97 -14.476 4.112 -9.640 1.00 72.10 H new ATOM 0 HE2 TYR X 97 -15.401 2.007 -6.012 1.00 34.51 H new ATOM 0 HH TYR X 97 -15.976 1.266 -8.036 1.00 3.11 H new ATOM 1683 N LEU X 98 -15.587 6.454 -3.911 1.00 51.53 N ATOM 1684 CA LEU X 98 -16.925 5.988 -3.435 1.00 52.20 C ATOM 1685 C LEU X 98 -17.924 7.152 -3.480 1.00 31.31 C ATOM 1686 O LEU X 98 -19.066 6.988 -3.857 1.00 11.44 O ATOM 1687 CB LEU X 98 -16.816 5.486 -1.990 1.00 5.51 C ATOM 1688 CG LEU X 98 -15.996 4.192 -1.921 1.00 12.44 C ATOM 1689 CD1 LEU X 98 -15.797 3.807 -0.453 1.00 73.22 C ATOM 1690 CD2 LEU X 98 -16.737 3.059 -2.637 1.00 2.34 C ATOM 0 H LEU X 98 -14.842 6.412 -3.216 1.00 51.53 H new ATOM 0 HA LEU X 98 -17.268 5.180 -4.081 1.00 52.20 H new ATOM 0 HB2 LEU X 98 -16.349 6.251 -1.369 1.00 5.51 H new ATOM 0 HB3 LEU X 98 -17.813 5.312 -1.585 1.00 5.51 H new ATOM 0 HG LEU X 98 -15.033 4.352 -2.405 1.00 12.44 H new ATOM 0 HD11 LEU X 98 -15.215 2.888 -0.394 1.00 73.22 H new ATOM 0 HD12 LEU X 98 -15.266 4.607 0.064 1.00 73.22 H new ATOM 0 HD13 LEU X 98 -16.768 3.652 0.017 1.00 73.22 H new ATOM 0 HD21 LEU X 98 -16.145 2.145 -2.582 1.00 2.34 H new ATOM 0 HD22 LEU X 98 -17.702 2.896 -2.158 1.00 2.34 H new ATOM 0 HD23 LEU X 98 -16.891 3.328 -3.682 1.00 2.34 H new ATOM 1702 N GLU X 99 -17.499 8.326 -3.083 1.00 14.35 N ATOM 1703 CA GLU X 99 -18.418 9.508 -3.092 1.00 3.22 C ATOM 1704 C GLU X 99 -18.872 9.812 -4.521 1.00 21.54 C ATOM 1705 O GLU X 99 -20.011 10.156 -4.761 1.00 51.21 O ATOM 1706 CB GLU X 99 -17.680 10.729 -2.538 1.00 41.04 C ATOM 1707 CG GLU X 99 -18.639 11.922 -2.462 1.00 60.54 C ATOM 1708 CD GLU X 99 -17.910 13.126 -1.852 1.00 62.22 C ATOM 1709 OE1 GLU X 99 -16.854 12.925 -1.274 1.00 11.11 O ATOM 1710 OE2 GLU X 99 -18.418 14.227 -1.978 1.00 53.14 O ATOM 0 H GLU X 99 -16.553 8.518 -2.752 1.00 14.35 H new ATOM 0 HA GLU X 99 -19.288 9.283 -2.476 1.00 3.22 H new ATOM 0 HB2 GLU X 99 -17.282 10.507 -1.548 1.00 41.04 H new ATOM 0 HB3 GLU X 99 -16.831 10.973 -3.176 1.00 41.04 H new ATOM 0 HG2 GLU X 99 -19.006 12.172 -3.458 1.00 60.54 H new ATOM 0 HG3 GLU X 99 -19.509 11.665 -1.857 1.00 60.54 H new ATOM 1717 N GLU X 100 -17.982 9.707 -5.468 1.00 61.42 N ATOM 1718 CA GLU X 100 -18.344 10.039 -6.876 1.00 12.32 C ATOM 1719 C GLU X 100 -19.103 8.875 -7.523 1.00 22.21 C ATOM 1720 O GLU X 100 -19.755 9.037 -8.535 1.00 2.34 O ATOM 1721 CB GLU X 100 -17.067 10.346 -7.663 1.00 31.35 C ATOM 1722 CG GLU X 100 -16.209 9.084 -7.807 1.00 22.13 C ATOM 1723 CD GLU X 100 -14.996 9.383 -8.690 1.00 62.51 C ATOM 1724 OE1 GLU X 100 -14.951 10.463 -9.254 1.00 61.44 O ATOM 1725 OE2 GLU X 100 -14.131 8.527 -8.785 1.00 22.23 O ATOM 0 H GLU X 100 -17.018 9.405 -5.328 1.00 61.42 H new ATOM 0 HA GLU X 100 -18.995 10.913 -6.885 1.00 12.32 H new ATOM 0 HB2 GLU X 100 -17.325 10.732 -8.649 1.00 31.35 H new ATOM 0 HB3 GLU X 100 -16.498 11.124 -7.155 1.00 31.35 H new ATOM 0 HG2 GLU X 100 -15.881 8.742 -6.826 1.00 22.13 H new ATOM 0 HG3 GLU X 100 -16.800 8.279 -8.244 1.00 22.13 H new ATOM 1732 N THR X 101 -19.043 7.707 -6.942 1.00 61.24 N ATOM 1733 CA THR X 101 -19.788 6.552 -7.516 1.00 12.42 C ATOM 1734 C THR X 101 -21.239 6.591 -7.017 1.00 22.32 C ATOM 1735 O THR X 101 -22.133 6.040 -7.632 1.00 34.52 O ATOM 1736 CB THR X 101 -19.133 5.247 -7.072 1.00 52.25 C ATOM 1737 OG1 THR X 101 -18.887 5.301 -5.672 1.00 14.03 O ATOM 1738 CG2 THR X 101 -17.811 5.056 -7.816 1.00 61.11 C ATOM 0 H THR X 101 -18.511 7.504 -6.096 1.00 61.24 H new ATOM 0 HA THR X 101 -19.771 6.611 -8.604 1.00 12.42 H new ATOM 0 HB THR X 101 -19.795 4.411 -7.297 1.00 52.25 H new ATOM 0 HG1 THR X 101 -19.441 6.002 -5.269 1.00 14.03 H new ATOM 0 HG21 THR X 101 -17.345 4.123 -7.497 1.00 61.11 H new ATOM 0 HG22 THR X 101 -17.999 5.019 -8.889 1.00 61.11 H new ATOM 0 HG23 THR X 101 -17.144 5.889 -7.593 1.00 61.11 H new ATOM 1746 N LEU X 102 -21.478 7.244 -5.911 1.00 21.54 N ATOM 1747 CA LEU X 102 -22.870 7.329 -5.374 1.00 51.35 C ATOM 1748 C LEU X 102 -23.512 8.644 -5.839 1.00 34.15 C ATOM 1749 O LEU X 102 -24.713 8.817 -5.768 1.00 25.44 O ATOM 1750 CB LEU X 102 -22.839 7.289 -3.841 1.00 11.21 C ATOM 1751 CG LEU X 102 -22.186 5.984 -3.370 1.00 63.43 C ATOM 1752 CD1 LEU X 102 -22.042 6.003 -1.849 1.00 31.43 C ATOM 1753 CD2 LEU X 102 -23.068 4.798 -3.774 1.00 42.04 C ATOM 0 H LEU X 102 -20.770 7.723 -5.355 1.00 21.54 H new ATOM 0 HA LEU X 102 -23.453 6.485 -5.742 1.00 51.35 H new ATOM 0 HB2 LEU X 102 -22.283 8.144 -3.457 1.00 11.21 H new ATOM 0 HB3 LEU X 102 -23.852 7.363 -3.445 1.00 11.21 H new ATOM 0 HG LEU X 102 -21.203 5.887 -3.830 1.00 63.43 H new ATOM 0 HD11 LEU X 102 -21.578 5.075 -1.516 1.00 31.43 H new ATOM 0 HD12 LEU X 102 -21.419 6.847 -1.553 1.00 31.43 H new ATOM 0 HD13 LEU X 102 -23.026 6.101 -1.392 1.00 31.43 H new ATOM 0 HD21 LEU X 102 -22.605 3.870 -3.440 1.00 42.04 H new ATOM 0 HD22 LEU X 102 -24.050 4.901 -3.312 1.00 42.04 H new ATOM 0 HD23 LEU X 102 -23.178 4.779 -4.858 1.00 42.04 H new ATOM 1765 N GLU X 103 -22.721 9.562 -6.324 1.00 4.00 N ATOM 1766 CA GLU X 103 -23.270 10.869 -6.804 1.00 23.43 C ATOM 1767 C GLU X 103 -23.028 11.008 -8.309 1.00 3.04 C ATOM 1768 O GLU X 103 -22.003 10.611 -8.833 1.00 71.20 O ATOM 1769 CB GLU X 103 -22.531 12.006 -6.102 1.00 51.34 C ATOM 1770 CG GLU X 103 -22.872 12.026 -4.614 1.00 51.21 C ATOM 1771 CD GLU X 103 -22.065 13.132 -3.934 1.00 21.11 C ATOM 1772 OE1 GLU X 103 -21.329 13.812 -4.627 1.00 62.22 O ATOM 1773 OE2 GLU X 103 -22.194 13.275 -2.730 1.00 13.43 O ATOM 0 H GLU X 103 -21.709 9.465 -6.410 1.00 4.00 H new ATOM 0 HA GLU X 103 -24.338 10.909 -6.589 1.00 23.43 H new ATOM 0 HB2 GLU X 103 -21.456 11.885 -6.233 1.00 51.34 H new ATOM 0 HB3 GLU X 103 -22.802 12.959 -6.556 1.00 51.34 H new ATOM 0 HG2 GLU X 103 -23.939 12.198 -4.474 1.00 51.21 H new ATOM 0 HG3 GLU X 103 -22.643 11.061 -4.162 1.00 51.21 H new ATOM 1780 N HIS X 104 -23.981 11.569 -8.994 1.00 14.22 N ATOM 1781 CA HIS X 104 -23.857 11.762 -10.468 1.00 20.33 C ATOM 1782 C HIS X 104 -23.466 10.435 -11.103 1.00 24.20 C ATOM 1783 O HIS X 104 -22.418 10.399 -11.743 1.00 0.00 O ATOM 1784 CB HIS X 104 -22.774 12.813 -10.769 1.00 12.13 C ATOM 1785 CG HIS X 104 -23.131 14.124 -10.108 1.00 24.42 C ATOM 1786 ND1 HIS X 104 -24.173 14.925 -10.560 1.00 14.11 N ATOM 1787 CD2 HIS X 104 -22.570 14.805 -9.050 1.00 75.42 C ATOM 1788 CE1 HIS X 104 -24.200 16.031 -9.791 1.00 41.30 C ATOM 1789 NE2 HIS X 104 -23.246 16.004 -8.859 1.00 44.03 N ATOM 1790 OXT HIS X 104 -24.223 9.479 -10.948 1.00 0.00 O ATOM 0 H HIS X 104 -24.855 11.908 -8.592 1.00 14.22 H new ATOM 0 HA HIS X 104 -24.808 12.107 -10.875 1.00 20.33 H new ATOM 0 HB2 HIS X 104 -21.807 12.465 -10.407 1.00 12.13 H new ATOM 0 HB3 HIS X 104 -22.680 12.953 -11.846 1.00 12.13 H new ATOM 0 HD2 HIS X 104 -21.734 14.460 -8.460 1.00 75.42 H new ATOM 0 HE1 HIS X 104 -24.906 16.839 -9.914 1.00 41.30 H new ATOM 0 HE2 HIS X 104 -23.053 16.715 -8.154 1.00 44.03 H new TER 1799 HIS X 104 HETATM 1800 C1 TSA X 501 -5.112 0.736 3.108 1.00 32.37 C HETATM 1801 C2 TSA X 501 -5.281 0.213 4.541 1.00 32.49 C HETATM 1802 C3 TSA X 501 -6.471 0.345 5.159 1.00 33.06 C HETATM 1803 C4 TSA X 501 -7.479 1.453 4.872 1.00 31.51 C HETATM 1804 O5 TSA X 501 -7.084 2.574 5.633 1.00 32.28 O HETATM 1805 C5 TSA X 501 -7.405 1.760 3.387 1.00 31.33 C HETATM 1806 C6 TSA X 501 -5.932 2.037 3.002 1.00 33.70 C HETATM 1807 O7 TSA X 501 -7.841 0.623 2.659 1.00 32.90 O HETATM 1808 C8 TSA X 501 -7.083 -0.016 1.630 1.00 33.66 C HETATM 1809 C9 TSA X 501 -5.595 -0.071 1.967 1.00 29.99 C HETATM 1810 C10 TSA X 501 -3.630 0.866 2.716 1.00 32.05 C HETATM 1811 O1 TSA X 501 -3.272 1.918 2.168 1.00 32.04 O HETATM 1812 O2 TSA X 501 -2.839 -0.068 2.948 1.00 32.31 O HETATM 1813 C11 TSA X 501 -7.615 -1.424 1.360 1.00 36.08 C HETATM 1814 O3 TSA X 501 -6.899 -2.333 0.889 1.00 36.14 O HETATM 1815 O4 TSA X 501 -8.808 -1.597 1.638 1.00 39.20 O HETATM 0 HO5 TSA X 501 -6.934 2.302 6.562 1.00 32.28 H new HETATM 0 H92 TSA X 501 -5.040 0.238 1.081 1.00 29.99 H new HETATM 0 H91 TSA X 501 -5.334 -1.112 2.160 1.00 29.99 H new HETATM 0 H8 TSA X 501 -7.197 0.585 0.728 1.00 33.66 H new HETATM 0 H62 TSA X 501 -5.511 2.798 3.660 1.00 33.70 H new HETATM 0 H61 TSA X 501 -5.879 2.429 1.986 1.00 33.70 H new HETATM 0 H5 TSA X 501 -8.029 2.624 3.160 1.00 31.33 H new HETATM 0 H4 TSA X 501 -8.500 1.174 5.131 1.00 31.51 H new HETATM 0 H3 TSA X 501 -6.732 -0.393 5.918 1.00 33.06 H new HETATM 0 H2 TSA X 501 -4.445 -0.261 5.055 1.00 32.49 H new