USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 663 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 GLN : amide:sc= 0.0384 K(o=0.23,f=-11!) USER MOD Set 1.2: A 75 THR OG1 : rot -72:sc= 0.194 USER MOD Single : A 4 LYS NZ :NH3+ -134:sc= 1.16 (180deg=0.747) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0.692 K(o=0.69,f=-2.3!) USER MOD Single : A 12 LYS NZ :NH3+ 128:sc= 1.27 (180deg=0.658) USER MOD Single : A 14 MET CE :methyl -122:sc= -0.666 (180deg=-0.953) USER MOD Single : A 21 HIS : no HE2:sc= 0.977 K(o=0.98,f=-5.1!) USER MOD Single : A 27 HIS : no HD1:sc= 0.867 K(o=0.87,f=-5.4!) USER MOD Single : A 28 LYS NZ :NH3+ -164:sc= 0.379 (180deg=0.0383) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0.244 X(o=0.24,f=-0.0049) USER MOD Single : A 38 ASN : amide:sc= -1.32 K(o=-1.3,f=-5.7!) USER MOD Single : A 42 SER OG : rot 71:sc= 1.16 USER MOD Single : A 47 LYS NZ :NH3+ 155:sc= 1.09 (180deg=0.172) USER MOD Single : A 48 LYS NZ :NH3+ -159:sc= -1.3 (180deg=-2.13!) USER MOD Single : A 57 GLN : amide:sc= -0.164 K(o=-0.16,f=-1.7) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0.0949 USER MOD Single : A 80 SER OG : rot 180:sc= 0.0282 USER MOD Single : A 82 TYR OH : rot 122:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -11.344 7.150 -2.273 1.00 0.00 N ATOM 2 CA GLY A 2 -10.086 7.239 -1.575 1.00 0.00 C ATOM 3 C GLY A 2 -8.954 6.974 -2.476 1.00 0.00 C ATOM 4 O GLY A 2 -9.108 6.259 -3.467 1.00 0.00 O ATOM 0 HA2 GLY A 2 -9.980 8.232 -1.137 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -10.073 6.525 -0.752 1.00 0.00 H new ATOM 10 N ILE A 3 -7.838 7.607 -2.197 1.00 0.00 N ATOM 11 CA ILE A 3 -6.580 7.274 -2.818 1.00 0.00 C ATOM 12 C ILE A 3 -6.354 7.808 -4.266 1.00 0.00 C ATOM 13 O ILE A 3 -5.304 8.390 -4.528 1.00 0.00 O ATOM 14 CB ILE A 3 -6.271 5.729 -2.646 1.00 0.00 C ATOM 15 CG1 ILE A 3 -5.594 5.406 -1.289 1.00 0.00 C ATOM 16 CG2 ILE A 3 -5.508 5.134 -3.791 1.00 0.00 C ATOM 17 CD1 ILE A 3 -6.397 5.764 -0.054 1.00 0.00 C ATOM 0 H ILE A 3 -7.779 8.374 -1.527 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.828 7.841 -2.269 1.00 0.00 H new ATOM 0 HB ILE A 3 -7.249 5.248 -2.650 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.372 4.339 -1.259 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -4.640 5.932 -1.245 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -5.334 4.075 -3.601 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -6.083 5.249 -4.710 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.551 5.645 -3.896 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -5.831 5.496 0.838 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.598 6.835 -0.048 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -7.340 5.218 -0.063 1.00 0.00 H new ATOM 29 N LYS A 4 -7.333 7.699 -5.166 1.00 0.00 N ATOM 30 CA LYS A 4 -7.066 8.021 -6.586 1.00 0.00 C ATOM 31 C LYS A 4 -6.921 9.503 -6.925 1.00 0.00 C ATOM 32 O LYS A 4 -6.627 9.848 -8.068 1.00 0.00 O ATOM 33 CB LYS A 4 -7.983 7.298 -7.583 1.00 0.00 C ATOM 34 CG LYS A 4 -9.442 7.708 -7.590 1.00 0.00 C ATOM 35 CD LYS A 4 -10.164 6.967 -8.709 1.00 0.00 C ATOM 36 CE LYS A 4 -11.623 7.355 -8.824 1.00 0.00 C ATOM 37 NZ LYS A 4 -12.350 7.127 -7.572 1.00 0.00 N ATOM 0 H LYS A 4 -8.287 7.403 -4.958 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.066 7.608 -6.715 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.582 7.450 -8.585 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.931 6.229 -7.378 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.902 7.478 -6.629 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.529 8.785 -7.735 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.663 7.170 -9.655 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.091 5.894 -8.534 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.698 8.407 -9.101 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.089 6.780 -9.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.251 6.649 -7.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.777 6.531 -6.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.539 8.039 -7.109 1.00 0.00 H new ATOM 51 N GLN A 5 -7.116 10.362 -5.971 1.00 0.00 N ATOM 52 CA GLN A 5 -6.903 11.780 -6.205 1.00 0.00 C ATOM 53 C GLN A 5 -6.081 12.392 -5.087 1.00 0.00 C ATOM 54 O GLN A 5 -6.087 13.604 -4.874 1.00 0.00 O ATOM 55 CB GLN A 5 -8.224 12.525 -6.425 1.00 0.00 C ATOM 56 CG GLN A 5 -9.260 12.303 -5.351 1.00 0.00 C ATOM 57 CD GLN A 5 -10.523 13.093 -5.586 1.00 0.00 C ATOM 58 OE1 GLN A 5 -10.510 14.175 -6.172 1.00 0.00 O ATOM 59 NE2 GLN A 5 -11.615 12.558 -5.159 1.00 0.00 N ATOM 0 H GLN A 5 -7.419 10.121 -5.027 1.00 0.00 H new ATOM 0 HA GLN A 5 -6.332 11.886 -7.128 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -8.016 13.593 -6.495 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.643 12.219 -7.384 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.504 11.242 -5.302 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -8.839 12.578 -4.384 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.588 11.659 -4.677 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -12.506 13.033 -5.303 1.00 0.00 H new ATOM 68 N TYR A 6 -5.334 11.557 -4.401 1.00 0.00 N ATOM 69 CA TYR A 6 -4.486 12.036 -3.335 1.00 0.00 C ATOM 70 C TYR A 6 -3.086 12.273 -3.841 1.00 0.00 C ATOM 71 O TYR A 6 -2.681 11.718 -4.863 1.00 0.00 O ATOM 72 CB TYR A 6 -4.459 11.094 -2.120 1.00 0.00 C ATOM 73 CG TYR A 6 -5.755 10.985 -1.341 1.00 0.00 C ATOM 74 CD1 TYR A 6 -6.714 11.988 -1.385 1.00 0.00 C ATOM 75 CD2 TYR A 6 -6.018 9.867 -0.571 1.00 0.00 C ATOM 76 CE1 TYR A 6 -7.895 11.877 -0.687 1.00 0.00 C ATOM 77 CE2 TYR A 6 -7.203 9.740 0.127 1.00 0.00 C ATOM 78 CZ TYR A 6 -8.138 10.752 0.066 1.00 0.00 C ATOM 79 OH TYR A 6 -9.338 10.619 0.729 1.00 0.00 O ATOM 0 H TYR A 6 -5.296 10.550 -4.561 1.00 0.00 H new ATOM 0 HA TYR A 6 -4.916 12.978 -2.995 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -4.178 10.098 -2.462 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -3.676 11.430 -1.441 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -6.530 12.872 -1.978 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -5.283 9.078 -0.514 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -8.627 12.670 -0.730 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -7.396 8.855 0.716 1.00 0.00 H new ATOM 0 HH TYR A 6 -9.351 9.767 1.214 1.00 0.00 H new ATOM 89 N SER A 7 -2.377 13.118 -3.162 1.00 0.00 N ATOM 90 CA SER A 7 -1.010 13.408 -3.491 1.00 0.00 C ATOM 91 C SER A 7 -0.092 12.464 -2.688 1.00 0.00 C ATOM 92 O SER A 7 -0.561 11.791 -1.769 1.00 0.00 O ATOM 93 CB SER A 7 -0.732 14.875 -3.205 1.00 0.00 C ATOM 94 OG SER A 7 -1.656 15.699 -3.916 1.00 0.00 O ATOM 0 H SER A 7 -2.730 13.633 -2.355 1.00 0.00 H new ATOM 0 HA SER A 7 -0.814 13.238 -4.550 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.812 15.066 -2.135 1.00 0.00 H new ATOM 0 HB3 SER A 7 0.288 15.123 -3.498 1.00 0.00 H new ATOM 0 HG SER A 7 -1.469 16.642 -3.723 1.00 0.00 H new ATOM 100 N GLN A 8 1.195 12.427 -3.018 1.00 0.00 N ATOM 101 CA GLN A 8 2.131 11.460 -2.423 1.00 0.00 C ATOM 102 C GLN A 8 2.199 11.537 -0.886 1.00 0.00 C ATOM 103 O GLN A 8 2.203 10.509 -0.224 1.00 0.00 O ATOM 104 CB GLN A 8 3.528 11.583 -3.032 1.00 0.00 C ATOM 105 CG GLN A 8 4.188 12.898 -2.749 1.00 0.00 C ATOM 106 CD GLN A 8 5.573 13.016 -3.318 1.00 0.00 C ATOM 107 OE1 GLN A 8 5.879 12.477 -4.374 1.00 0.00 O ATOM 108 NE2 GLN A 8 6.438 13.653 -2.582 1.00 0.00 N ATOM 0 H GLN A 8 1.622 13.056 -3.698 1.00 0.00 H new ATOM 0 HA GLN A 8 1.729 10.476 -2.667 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.156 10.780 -2.647 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.459 11.444 -4.111 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.569 13.699 -3.154 1.00 0.00 H new ATOM 0 HG3 GLN A 8 4.235 13.046 -1.670 1.00 0.00 H new ATOM 0 HE21 GLN A 8 6.142 14.088 -1.708 1.00 0.00 H new ATOM 0 HE22 GLN A 8 7.412 13.717 -2.879 1.00 0.00 H new ATOM 117 N GLU A 9 2.239 12.747 -0.333 1.00 0.00 N ATOM 118 CA GLU A 9 2.283 12.937 1.122 1.00 0.00 C ATOM 119 C GLU A 9 1.034 12.401 1.752 1.00 0.00 C ATOM 120 O GLU A 9 1.071 11.585 2.647 1.00 0.00 O ATOM 121 CB GLU A 9 2.451 14.413 1.492 1.00 0.00 C ATOM 122 CG GLU A 9 3.888 14.896 1.519 1.00 0.00 C ATOM 123 CD GLU A 9 4.612 14.778 0.212 1.00 0.00 C ATOM 124 OE1 GLU A 9 4.461 15.681 -0.649 1.00 0.00 O ATOM 125 OE2 GLU A 9 5.361 13.807 0.017 1.00 0.00 O ATOM 0 H GLU A 9 2.242 13.615 -0.869 1.00 0.00 H new ATOM 0 HA GLU A 9 3.147 12.390 1.499 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.891 15.019 0.780 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.006 14.581 2.473 1.00 0.00 H new ATOM 0 HG2 GLU A 9 3.901 15.940 1.833 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.434 14.329 2.274 1.00 0.00 H new ATOM 132 N GLU A 10 -0.035 12.824 1.191 1.00 0.00 N ATOM 133 CA GLU A 10 -1.387 12.478 1.582 1.00 0.00 C ATOM 134 C GLU A 10 -1.571 10.932 1.606 1.00 0.00 C ATOM 135 O GLU A 10 -2.168 10.365 2.519 1.00 0.00 O ATOM 136 CB GLU A 10 -2.275 13.147 0.532 1.00 0.00 C ATOM 137 CG GLU A 10 -3.757 13.159 0.771 1.00 0.00 C ATOM 138 CD GLU A 10 -4.406 14.187 -0.133 1.00 0.00 C ATOM 139 OE1 GLU A 10 -4.058 14.242 -1.337 1.00 0.00 O ATOM 140 OE2 GLU A 10 -5.234 14.982 0.335 1.00 0.00 O ATOM 0 H GLU A 10 -0.010 13.462 0.395 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.637 12.816 2.588 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.945 14.180 0.424 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.094 12.653 -0.423 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.176 12.172 0.576 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.966 13.393 1.815 1.00 0.00 H new ATOM 147 N LEU A 11 -1.032 10.285 0.594 1.00 0.00 N ATOM 148 CA LEU A 11 -1.060 8.835 0.460 1.00 0.00 C ATOM 149 C LEU A 11 -0.142 8.115 1.458 1.00 0.00 C ATOM 150 O LEU A 11 -0.523 7.100 2.024 1.00 0.00 O ATOM 151 CB LEU A 11 -0.693 8.460 -0.965 1.00 0.00 C ATOM 152 CG LEU A 11 -1.723 8.838 -2.017 1.00 0.00 C ATOM 153 CD1 LEU A 11 -1.093 8.869 -3.382 1.00 0.00 C ATOM 154 CD2 LEU A 11 -2.868 7.843 -1.999 1.00 0.00 C ATOM 0 H LEU A 11 -0.553 10.755 -0.174 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.073 8.505 0.692 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.254 8.938 -1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.529 7.383 -1.010 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.107 9.832 -1.788 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.844 9.141 -4.123 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.288 9.604 -3.395 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.690 7.885 -3.619 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.603 8.120 -2.755 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.486 6.845 -2.212 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.339 7.849 -1.016 1.00 0.00 H new ATOM 166 N LYS A 12 1.050 8.667 1.696 1.00 0.00 N ATOM 167 CA LYS A 12 2.064 8.003 2.546 1.00 0.00 C ATOM 168 C LYS A 12 1.720 8.102 4.035 1.00 0.00 C ATOM 169 O LYS A 12 2.447 7.588 4.881 1.00 0.00 O ATOM 170 CB LYS A 12 3.481 8.568 2.286 1.00 0.00 C ATOM 171 CG LYS A 12 3.647 10.017 2.708 1.00 0.00 C ATOM 172 CD LYS A 12 5.005 10.611 2.350 1.00 0.00 C ATOM 173 CE LYS A 12 5.253 10.613 0.848 1.00 0.00 C ATOM 174 NZ LYS A 12 6.444 11.397 0.493 1.00 0.00 N ATOM 0 H LYS A 12 1.344 9.568 1.318 1.00 0.00 H new ATOM 0 HA LYS A 12 2.057 6.949 2.270 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.209 7.958 2.820 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.708 8.480 1.224 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.865 10.614 2.239 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.501 10.091 3.786 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.064 11.632 2.728 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.791 10.041 2.846 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.375 9.588 0.498 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.382 11.023 0.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.073 10.822 -0.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.156 12.249 -0.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.947 11.676 1.360 1.00 0.00 H new ATOM 188 N GLU A 13 0.647 8.797 4.353 1.00 0.00 N ATOM 189 CA GLU A 13 0.194 8.908 5.727 1.00 0.00 C ATOM 190 C GLU A 13 -0.674 7.707 6.093 1.00 0.00 C ATOM 191 O GLU A 13 -1.070 7.516 7.254 1.00 0.00 O ATOM 192 CB GLU A 13 -0.535 10.225 5.945 1.00 0.00 C ATOM 193 CG GLU A 13 0.361 11.423 5.702 1.00 0.00 C ATOM 194 CD GLU A 13 -0.314 12.736 5.934 1.00 0.00 C ATOM 195 OE1 GLU A 13 -0.509 13.104 7.113 1.00 0.00 O ATOM 196 OE2 GLU A 13 -0.602 13.446 4.960 1.00 0.00 O ATOM 0 H GLU A 13 0.069 9.296 3.676 1.00 0.00 H new ATOM 0 HA GLU A 13 1.059 8.905 6.390 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.396 10.276 5.278 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.919 10.261 6.965 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.232 11.352 6.354 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.727 11.389 4.676 1.00 0.00 H new ATOM 203 N MET A 14 -0.944 6.906 5.096 1.00 0.00 N ATOM 204 CA MET A 14 -1.666 5.675 5.233 1.00 0.00 C ATOM 205 C MET A 14 -0.670 4.558 5.030 1.00 0.00 C ATOM 206 O MET A 14 0.216 4.676 4.184 1.00 0.00 O ATOM 207 CB MET A 14 -2.761 5.581 4.158 1.00 0.00 C ATOM 208 CG MET A 14 -3.876 6.611 4.284 1.00 0.00 C ATOM 209 SD MET A 14 -4.975 6.311 5.691 1.00 0.00 S ATOM 210 CE MET A 14 -5.744 4.762 5.196 1.00 0.00 C ATOM 0 H MET A 14 -0.657 7.102 4.137 1.00 0.00 H new ATOM 0 HA MET A 14 -2.141 5.614 6.212 1.00 0.00 H new ATOM 0 HB2 MET A 14 -2.297 5.688 3.178 1.00 0.00 H new ATOM 0 HB3 MET A 14 -3.201 4.585 4.195 1.00 0.00 H new ATOM 0 HG2 MET A 14 -3.435 7.603 4.382 1.00 0.00 H new ATOM 0 HG3 MET A 14 -4.464 6.613 3.367 1.00 0.00 H new ATOM 0 HE1 MET A 14 -6.826 4.890 5.154 1.00 0.00 H new ATOM 0 HE2 MET A 14 -5.375 4.471 4.213 1.00 0.00 H new ATOM 0 HE3 MET A 14 -5.498 3.986 5.921 1.00 0.00 H new ATOM 220 N ALA A 15 -0.773 3.505 5.801 1.00 0.00 N ATOM 221 CA ALA A 15 0.132 2.389 5.639 1.00 0.00 C ATOM 222 C ALA A 15 -0.217 1.638 4.356 1.00 0.00 C ATOM 223 O ALA A 15 -1.362 1.682 3.901 1.00 0.00 O ATOM 224 CB ALA A 15 0.106 1.480 6.857 1.00 0.00 C ATOM 0 H ALA A 15 -1.466 3.394 6.541 1.00 0.00 H new ATOM 0 HA ALA A 15 1.153 2.761 5.553 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.796 0.650 6.706 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.406 2.045 7.739 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.902 1.092 7.000 1.00 0.00 H new ATOM 230 N LEU A 16 0.743 0.952 3.788 1.00 0.00 N ATOM 231 CA LEU A 16 0.567 0.308 2.492 1.00 0.00 C ATOM 232 C LEU A 16 -0.561 -0.742 2.437 1.00 0.00 C ATOM 233 O LEU A 16 -1.257 -0.844 1.423 1.00 0.00 O ATOM 234 CB LEU A 16 1.900 -0.176 1.830 1.00 0.00 C ATOM 235 CG LEU A 16 2.851 -1.133 2.601 1.00 0.00 C ATOM 236 CD1 LEU A 16 3.897 -1.671 1.643 1.00 0.00 C ATOM 237 CD2 LEU A 16 3.581 -0.419 3.741 1.00 0.00 C ATOM 0 H LEU A 16 1.666 0.819 4.200 1.00 0.00 H new ATOM 0 HA LEU A 16 0.211 1.118 1.856 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.636 -0.667 0.893 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.475 0.713 1.573 1.00 0.00 H new ATOM 0 HG LEU A 16 2.242 -1.933 3.022 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.568 -2.344 2.177 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.406 -2.214 0.836 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.470 -0.842 1.227 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.235 -1.125 4.253 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.177 0.399 3.336 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.852 -0.022 4.447 1.00 0.00 H new ATOM 249 N VAL A 17 -0.786 -1.471 3.524 1.00 0.00 N ATOM 250 CA VAL A 17 -1.886 -2.444 3.557 1.00 0.00 C ATOM 251 C VAL A 17 -3.235 -1.703 3.651 1.00 0.00 C ATOM 252 O VAL A 17 -4.251 -2.143 3.108 1.00 0.00 O ATOM 253 CB VAL A 17 -1.745 -3.483 4.728 1.00 0.00 C ATOM 254 CG1 VAL A 17 -1.977 -2.857 6.099 1.00 0.00 C ATOM 255 CG2 VAL A 17 -2.662 -4.678 4.515 1.00 0.00 C ATOM 0 H VAL A 17 -0.237 -1.414 4.382 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.843 -3.015 2.629 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.713 -3.833 4.711 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.867 -3.619 6.870 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.247 -2.065 6.265 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.983 -2.439 6.143 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.543 -5.380 5.340 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.697 -4.339 4.473 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.404 -5.172 3.578 1.00 0.00 H new ATOM 265 N GLU A 18 -3.198 -0.536 4.274 1.00 0.00 N ATOM 266 CA GLU A 18 -4.371 0.288 4.475 1.00 0.00 C ATOM 267 C GLU A 18 -4.771 0.905 3.139 1.00 0.00 C ATOM 268 O GLU A 18 -5.949 0.949 2.787 1.00 0.00 O ATOM 269 CB GLU A 18 -4.052 1.389 5.476 1.00 0.00 C ATOM 270 CG GLU A 18 -3.469 0.891 6.794 1.00 0.00 C ATOM 271 CD GLU A 18 -4.437 0.130 7.641 1.00 0.00 C ATOM 272 OE1 GLU A 18 -5.521 0.661 7.940 1.00 0.00 O ATOM 273 OE2 GLU A 18 -4.109 -0.981 8.088 1.00 0.00 O ATOM 0 H GLU A 18 -2.343 -0.133 4.657 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.191 -0.317 4.862 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.347 2.085 5.021 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.963 1.949 5.684 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.610 0.254 6.581 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.100 1.745 7.361 1.00 0.00 H new ATOM 280 N ILE A 19 -3.764 1.357 2.389 1.00 0.00 N ATOM 281 CA ILE A 19 -3.958 1.910 1.047 1.00 0.00 C ATOM 282 C ILE A 19 -4.598 0.846 0.153 1.00 0.00 C ATOM 283 O ILE A 19 -5.584 1.110 -0.540 1.00 0.00 O ATOM 284 CB ILE A 19 -2.600 2.363 0.413 1.00 0.00 C ATOM 285 CG1 ILE A 19 -1.938 3.452 1.271 1.00 0.00 C ATOM 286 CG2 ILE A 19 -2.803 2.866 -1.019 1.00 0.00 C ATOM 287 CD1 ILE A 19 -0.577 3.902 0.769 1.00 0.00 C ATOM 0 H ILE A 19 -2.791 1.350 2.695 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.606 2.783 1.128 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.940 1.496 0.380 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.600 4.317 1.314 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.832 3.081 2.290 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.844 3.174 -1.436 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.224 2.067 -1.629 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.486 3.716 -1.013 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.181 4.671 1.432 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.104 3.051 0.753 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.676 4.307 -0.238 1.00 0.00 H new ATOM 299 N ALA A 20 -4.052 -0.369 0.218 1.00 0.00 N ATOM 300 CA ALA A 20 -4.557 -1.494 -0.554 1.00 0.00 C ATOM 301 C ALA A 20 -6.001 -1.825 -0.156 1.00 0.00 C ATOM 302 O ALA A 20 -6.832 -2.130 -1.007 1.00 0.00 O ATOM 303 CB ALA A 20 -3.649 -2.702 -0.389 1.00 0.00 C ATOM 0 H ALA A 20 -3.250 -0.596 0.806 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.561 -1.216 -1.608 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.041 -3.535 -0.973 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.647 -2.454 -0.738 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.607 -2.985 0.663 1.00 0.00 H new ATOM 309 N HIS A 21 -6.291 -1.737 1.136 1.00 0.00 N ATOM 310 CA HIS A 21 -7.648 -1.932 1.662 1.00 0.00 C ATOM 311 C HIS A 21 -8.634 -0.991 0.960 1.00 0.00 C ATOM 312 O HIS A 21 -9.674 -1.429 0.457 1.00 0.00 O ATOM 313 CB HIS A 21 -7.663 -1.673 3.181 1.00 0.00 C ATOM 314 CG HIS A 21 -9.027 -1.723 3.826 1.00 0.00 C ATOM 315 ND1 HIS A 21 -9.803 -0.602 4.052 1.00 0.00 N ATOM 316 CD2 HIS A 21 -9.742 -2.765 4.297 1.00 0.00 C ATOM 317 CE1 HIS A 21 -10.921 -0.957 4.629 1.00 0.00 C ATOM 318 NE2 HIS A 21 -10.910 -2.263 4.787 1.00 0.00 N ATOM 0 H HIS A 21 -5.597 -1.529 1.853 1.00 0.00 H new ATOM 0 HA HIS A 21 -7.953 -2.961 1.471 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -7.022 -2.409 3.666 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -7.224 -0.694 3.371 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -9.544 0.354 3.807 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -9.444 -3.803 4.288 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -11.718 -0.291 4.926 1.00 0.00 H new ATOM 327 N GLU A 22 -8.281 0.284 0.921 1.00 0.00 N ATOM 328 CA GLU A 22 -9.109 1.314 0.298 1.00 0.00 C ATOM 329 C GLU A 22 -9.247 1.041 -1.188 1.00 0.00 C ATOM 330 O GLU A 22 -10.327 1.186 -1.771 1.00 0.00 O ATOM 331 CB GLU A 22 -8.467 2.685 0.493 1.00 0.00 C ATOM 332 CG GLU A 22 -8.189 3.040 1.941 1.00 0.00 C ATOM 333 CD GLU A 22 -9.420 2.981 2.787 1.00 0.00 C ATOM 334 OE1 GLU A 22 -10.205 3.935 2.767 1.00 0.00 O ATOM 335 OE2 GLU A 22 -9.638 1.970 3.482 1.00 0.00 O ATOM 0 H GLU A 22 -7.412 0.638 1.320 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.094 1.299 0.765 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.531 2.718 -0.064 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.120 3.444 0.063 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.442 2.356 2.343 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.764 4.042 1.992 1.00 0.00 H new ATOM 342 N LEU A 23 -8.141 0.625 -1.771 1.00 0.00 N ATOM 343 CA LEU A 23 -8.015 0.317 -3.181 1.00 0.00 C ATOM 344 C LEU A 23 -9.044 -0.742 -3.589 1.00 0.00 C ATOM 345 O LEU A 23 -9.797 -0.564 -4.559 1.00 0.00 O ATOM 346 CB LEU A 23 -6.580 -0.181 -3.431 1.00 0.00 C ATOM 347 CG LEU A 23 -6.102 -0.353 -4.865 1.00 0.00 C ATOM 348 CD1 LEU A 23 -6.239 0.956 -5.604 1.00 0.00 C ATOM 349 CD2 LEU A 23 -4.648 -0.757 -4.838 1.00 0.00 C ATOM 0 H LEU A 23 -7.272 0.487 -1.255 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.207 1.205 -3.784 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.899 0.513 -2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.473 -1.143 -2.930 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.698 -1.114 -5.368 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.896 0.832 -6.631 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.284 1.265 -5.605 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.636 1.718 -5.110 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.287 -0.885 -5.858 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.064 0.018 -4.341 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.541 -1.696 -4.295 1.00 0.00 H new ATOM 361 N PHE A 24 -9.109 -1.818 -2.828 1.00 0.00 N ATOM 362 CA PHE A 24 -10.046 -2.890 -3.113 1.00 0.00 C ATOM 363 C PHE A 24 -11.467 -2.528 -2.796 1.00 0.00 C ATOM 364 O PHE A 24 -12.370 -2.944 -3.502 1.00 0.00 O ATOM 365 CB PHE A 24 -9.650 -4.192 -2.447 1.00 0.00 C ATOM 366 CG PHE A 24 -8.450 -4.778 -3.072 1.00 0.00 C ATOM 367 CD1 PHE A 24 -8.539 -5.341 -4.318 1.00 0.00 C ATOM 368 CD2 PHE A 24 -7.234 -4.743 -2.442 1.00 0.00 C ATOM 369 CE1 PHE A 24 -7.439 -5.861 -4.924 1.00 0.00 C ATOM 370 CE2 PHE A 24 -6.118 -5.263 -3.045 1.00 0.00 C ATOM 371 CZ PHE A 24 -6.225 -5.827 -4.294 1.00 0.00 C ATOM 0 H PHE A 24 -8.524 -1.974 -2.007 1.00 0.00 H new ATOM 0 HA PHE A 24 -9.994 -3.043 -4.191 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -9.461 -4.017 -1.388 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -10.476 -4.900 -2.510 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -9.493 -5.372 -4.824 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -7.154 -4.301 -1.460 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.524 -6.302 -5.906 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.162 -5.230 -2.543 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.353 -6.242 -4.777 1.00 0.00 H new ATOM 381 N GLU A 25 -11.664 -1.735 -1.770 1.00 0.00 N ATOM 382 CA GLU A 25 -13.002 -1.311 -1.401 1.00 0.00 C ATOM 383 C GLU A 25 -13.583 -0.375 -2.466 1.00 0.00 C ATOM 384 O GLU A 25 -14.779 -0.393 -2.747 1.00 0.00 O ATOM 385 CB GLU A 25 -13.002 -0.636 -0.024 1.00 0.00 C ATOM 386 CG GLU A 25 -14.380 -0.187 0.441 1.00 0.00 C ATOM 387 CD GLU A 25 -15.367 -1.327 0.540 1.00 0.00 C ATOM 388 OE1 GLU A 25 -16.033 -1.662 -0.462 1.00 0.00 O ATOM 389 OE2 GLU A 25 -15.519 -1.891 1.637 1.00 0.00 O ATOM 0 H GLU A 25 -10.921 -1.369 -1.175 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.635 -2.196 -1.341 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.589 -1.329 0.710 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -12.339 0.229 -0.054 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -14.290 0.295 1.415 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.765 0.562 -0.251 1.00 0.00 H new ATOM 396 N GLU A 26 -12.735 0.421 -3.076 1.00 0.00 N ATOM 397 CA GLU A 26 -13.205 1.320 -4.089 1.00 0.00 C ATOM 398 C GLU A 26 -13.393 0.594 -5.416 1.00 0.00 C ATOM 399 O GLU A 26 -14.397 0.812 -6.118 1.00 0.00 O ATOM 400 CB GLU A 26 -12.289 2.521 -4.250 1.00 0.00 C ATOM 401 CG GLU A 26 -12.865 3.545 -5.189 1.00 0.00 C ATOM 402 CD GLU A 26 -12.083 4.799 -5.250 1.00 0.00 C ATOM 403 OE1 GLU A 26 -12.183 5.619 -4.312 1.00 0.00 O ATOM 404 OE2 GLU A 26 -11.416 5.029 -6.266 1.00 0.00 O ATOM 0 H GLU A 26 -11.733 0.461 -2.889 1.00 0.00 H new ATOM 0 HA GLU A 26 -14.175 1.696 -3.765 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -12.116 2.979 -3.276 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.320 2.191 -4.624 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.925 3.115 -6.189 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -13.884 3.777 -4.880 1.00 0.00 H new ATOM 411 N HIS A 27 -12.438 -0.269 -5.761 1.00 0.00 N ATOM 412 CA HIS A 27 -12.533 -1.033 -7.002 1.00 0.00 C ATOM 413 C HIS A 27 -13.691 -1.997 -6.973 1.00 0.00 C ATOM 414 O HIS A 27 -14.438 -2.075 -7.942 1.00 0.00 O ATOM 415 CB HIS A 27 -11.243 -1.798 -7.366 1.00 0.00 C ATOM 416 CG HIS A 27 -10.122 -0.959 -7.906 1.00 0.00 C ATOM 417 ND1 HIS A 27 -10.269 -0.101 -8.968 1.00 0.00 N ATOM 418 CD2 HIS A 27 -8.816 -0.882 -7.552 1.00 0.00 C ATOM 419 CE1 HIS A 27 -9.112 0.456 -9.242 1.00 0.00 C ATOM 420 NE2 HIS A 27 -8.223 0.002 -8.402 1.00 0.00 N ATOM 0 H HIS A 27 -11.602 -0.454 -5.207 1.00 0.00 H new ATOM 0 HA HIS A 27 -12.695 -0.284 -7.777 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -10.888 -2.319 -6.477 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -11.490 -2.561 -8.104 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.336 -1.420 -6.748 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.927 1.170 -10.031 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -7.238 0.267 -8.384 1.00 0.00 H new ATOM 429 N LYS A 28 -13.831 -2.715 -5.841 1.00 0.00 N ATOM 430 CA LYS A 28 -14.853 -3.758 -5.647 1.00 0.00 C ATOM 431 C LYS A 28 -14.620 -4.888 -6.647 1.00 0.00 C ATOM 432 O LYS A 28 -15.515 -5.640 -7.025 1.00 0.00 O ATOM 433 CB LYS A 28 -16.273 -3.167 -5.724 1.00 0.00 C ATOM 434 CG LYS A 28 -16.508 -2.084 -4.683 1.00 0.00 C ATOM 435 CD LYS A 28 -17.907 -1.508 -4.746 1.00 0.00 C ATOM 436 CE LYS A 28 -18.095 -0.397 -3.711 1.00 0.00 C ATOM 437 NZ LYS A 28 -17.865 -0.858 -2.318 1.00 0.00 N ATOM 0 H LYS A 28 -13.230 -2.584 -5.028 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.762 -4.179 -4.646 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.438 -2.753 -6.719 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -17.003 -3.964 -5.586 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -16.334 -2.497 -3.689 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.783 -1.283 -4.827 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -18.096 -1.114 -5.745 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -18.637 -2.299 -4.571 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.410 0.421 -3.935 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -19.106 0.002 -3.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.260 -0.163 -1.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -18.330 -1.777 -2.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -16.844 -0.957 -2.149 1.00 0.00 H new ATOM 451 N LYS A 29 -13.370 -5.033 -6.986 1.00 0.00 N ATOM 452 CA LYS A 29 -12.901 -5.982 -7.932 1.00 0.00 C ATOM 453 C LYS A 29 -11.582 -6.508 -7.403 1.00 0.00 C ATOM 454 O LYS A 29 -10.814 -5.730 -6.819 1.00 0.00 O ATOM 455 CB LYS A 29 -12.657 -5.294 -9.295 1.00 0.00 C ATOM 456 CG LYS A 29 -12.114 -6.233 -10.364 1.00 0.00 C ATOM 457 CD LYS A 29 -11.656 -5.503 -11.604 1.00 0.00 C ATOM 458 CE LYS A 29 -11.035 -6.482 -12.596 1.00 0.00 C ATOM 459 NZ LYS A 29 -10.441 -5.801 -13.762 1.00 0.00 N ATOM 0 H LYS A 29 -12.624 -4.463 -6.587 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.629 -6.781 -8.072 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -13.593 -4.860 -9.646 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.956 -4.471 -9.157 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.279 -6.801 -9.953 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.886 -6.953 -10.636 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.501 -4.993 -12.067 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.929 -4.737 -11.335 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.267 -7.068 -12.091 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.798 -7.182 -12.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.033 -6.508 -14.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.177 -5.262 -14.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.694 -5.152 -13.442 1.00 0.00 H new ATOM 473 N PRO A 30 -11.308 -7.806 -7.538 1.00 0.00 N ATOM 474 CA PRO A 30 -10.030 -8.363 -7.150 1.00 0.00 C ATOM 475 C PRO A 30 -8.960 -7.969 -8.155 1.00 0.00 C ATOM 476 O PRO A 30 -9.191 -7.993 -9.376 1.00 0.00 O ATOM 477 CB PRO A 30 -10.248 -9.872 -7.172 1.00 0.00 C ATOM 478 CG PRO A 30 -11.705 -10.083 -7.442 1.00 0.00 C ATOM 479 CD PRO A 30 -12.211 -8.833 -8.065 1.00 0.00 C ATOM 0 HA PRO A 30 -9.697 -8.006 -6.175 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -9.638 -10.342 -7.943 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.960 -10.320 -6.221 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -11.856 -10.934 -8.106 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -12.242 -10.300 -6.519 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.174 -8.882 -9.153 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -13.247 -8.637 -7.790 1.00 0.00 H new ATOM 487 N VAL A 31 -7.812 -7.628 -7.660 1.00 0.00 N ATOM 488 CA VAL A 31 -6.733 -7.136 -8.480 1.00 0.00 C ATOM 489 C VAL A 31 -5.479 -7.937 -8.147 1.00 0.00 C ATOM 490 O VAL A 31 -5.256 -8.266 -6.971 1.00 0.00 O ATOM 491 CB VAL A 31 -6.479 -5.595 -8.225 1.00 0.00 C ATOM 492 CG1 VAL A 31 -5.345 -5.054 -9.079 1.00 0.00 C ATOM 493 CG2 VAL A 31 -7.745 -4.775 -8.470 1.00 0.00 C ATOM 0 H VAL A 31 -7.588 -7.681 -6.666 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.993 -7.255 -9.532 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.192 -5.499 -7.178 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.207 -3.993 -8.870 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.426 -5.592 -8.847 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.588 -5.188 -10.133 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.537 -3.721 -8.286 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -8.069 -4.906 -9.502 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -8.533 -5.112 -7.796 1.00 0.00 H new ATOM 503 N PRO A 32 -4.699 -8.356 -9.168 1.00 0.00 N ATOM 504 CA PRO A 32 -3.435 -9.050 -8.957 1.00 0.00 C ATOM 505 C PRO A 32 -2.497 -8.246 -8.055 1.00 0.00 C ATOM 506 O PRO A 32 -2.464 -7.001 -8.120 1.00 0.00 O ATOM 507 CB PRO A 32 -2.848 -9.166 -10.366 1.00 0.00 C ATOM 508 CG PRO A 32 -4.027 -9.138 -11.261 1.00 0.00 C ATOM 509 CD PRO A 32 -5.013 -8.220 -10.606 1.00 0.00 C ATOM 0 HA PRO A 32 -3.569 -10.012 -8.463 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.166 -8.343 -10.581 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.281 -10.089 -10.485 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.756 -8.778 -12.253 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.446 -10.136 -11.388 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.895 -7.192 -10.948 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.041 -8.512 -10.823 1.00 0.00 H new ATOM 517 N PHE A 33 -1.751 -8.968 -7.242 1.00 0.00 N ATOM 518 CA PHE A 33 -0.803 -8.433 -6.260 1.00 0.00 C ATOM 519 C PHE A 33 0.071 -7.320 -6.846 1.00 0.00 C ATOM 520 O PHE A 33 0.177 -6.230 -6.292 1.00 0.00 O ATOM 521 CB PHE A 33 0.091 -9.589 -5.779 1.00 0.00 C ATOM 522 CG PHE A 33 1.101 -9.216 -4.733 1.00 0.00 C ATOM 523 CD1 PHE A 33 0.754 -9.182 -3.396 1.00 0.00 C ATOM 524 CD2 PHE A 33 2.401 -8.908 -5.092 1.00 0.00 C ATOM 525 CE1 PHE A 33 1.684 -8.846 -2.438 1.00 0.00 C ATOM 526 CE2 PHE A 33 3.329 -8.570 -4.142 1.00 0.00 C ATOM 527 CZ PHE A 33 2.973 -8.537 -2.811 1.00 0.00 C ATOM 0 H PHE A 33 -1.784 -9.987 -7.241 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.367 -7.998 -5.435 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.545 -10.380 -5.382 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.617 -10.004 -6.639 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.257 -9.421 -3.100 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.688 -8.934 -6.133 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.403 -8.825 -1.395 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.340 -8.329 -4.436 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.704 -8.269 -2.062 1.00 0.00 H new ATOM 537 N GLN A 34 0.646 -7.588 -7.974 1.00 0.00 N ATOM 538 CA GLN A 34 1.554 -6.665 -8.600 1.00 0.00 C ATOM 539 C GLN A 34 0.816 -5.445 -9.169 1.00 0.00 C ATOM 540 O GLN A 34 1.337 -4.334 -9.143 1.00 0.00 O ATOM 541 CB GLN A 34 2.329 -7.384 -9.696 1.00 0.00 C ATOM 542 CG GLN A 34 3.357 -6.533 -10.410 1.00 0.00 C ATOM 543 CD GLN A 34 4.466 -6.042 -9.500 1.00 0.00 C ATOM 544 OE1 GLN A 34 5.474 -6.708 -9.330 1.00 0.00 O ATOM 545 NE2 GLN A 34 4.317 -4.866 -8.958 1.00 0.00 N ATOM 0 H GLN A 34 0.503 -8.454 -8.493 1.00 0.00 H new ATOM 0 HA GLN A 34 2.249 -6.297 -7.845 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.832 -8.247 -9.259 1.00 0.00 H new ATOM 0 HB3 GLN A 34 1.621 -7.766 -10.431 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.794 -7.111 -11.225 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.859 -5.674 -10.860 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.462 -4.334 -9.120 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.056 -4.477 -8.372 1.00 0.00 H new ATOM 554 N GLU A 35 -0.422 -5.635 -9.573 1.00 0.00 N ATOM 555 CA GLU A 35 -1.166 -4.612 -10.269 1.00 0.00 C ATOM 556 C GLU A 35 -1.677 -3.580 -9.310 1.00 0.00 C ATOM 557 O GLU A 35 -1.724 -2.386 -9.637 1.00 0.00 O ATOM 558 CB GLU A 35 -2.299 -5.240 -11.062 1.00 0.00 C ATOM 559 CG GLU A 35 -1.831 -5.997 -12.288 1.00 0.00 C ATOM 560 CD GLU A 35 -1.318 -5.065 -13.355 1.00 0.00 C ATOM 561 OE1 GLU A 35 -2.151 -4.549 -14.142 1.00 0.00 O ATOM 562 OE2 GLU A 35 -0.091 -4.806 -13.428 1.00 0.00 O ATOM 0 H GLU A 35 -0.939 -6.502 -9.428 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.500 -4.107 -10.968 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.852 -5.920 -10.414 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.993 -4.458 -11.370 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.044 -6.696 -12.006 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.655 -6.589 -12.687 1.00 0.00 H new ATOM 569 N LEU A 36 -2.023 -4.028 -8.116 1.00 0.00 N ATOM 570 CA LEU A 36 -2.492 -3.136 -7.086 1.00 0.00 C ATOM 571 C LEU A 36 -1.341 -2.215 -6.677 1.00 0.00 C ATOM 572 O LEU A 36 -1.516 -1.020 -6.518 1.00 0.00 O ATOM 573 CB LEU A 36 -3.092 -3.944 -5.881 1.00 0.00 C ATOM 574 CG LEU A 36 -2.130 -4.753 -4.978 1.00 0.00 C ATOM 575 CD1 LEU A 36 -1.579 -3.904 -3.842 1.00 0.00 C ATOM 576 CD2 LEU A 36 -2.792 -6.002 -4.434 1.00 0.00 C ATOM 0 H LEU A 36 -1.985 -5.010 -7.841 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.305 -2.514 -7.460 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.629 -3.240 -5.245 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.830 -4.638 -6.283 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.293 -5.061 -5.605 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.908 -4.507 -3.230 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.032 -3.056 -4.254 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.402 -3.540 -3.227 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.086 -6.544 -3.805 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.665 -5.723 -3.843 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.103 -6.639 -5.262 1.00 0.00 H new ATOM 588 N LEU A 37 -0.145 -2.787 -6.612 1.00 0.00 N ATOM 589 CA LEU A 37 1.050 -2.065 -6.235 1.00 0.00 C ATOM 590 C LEU A 37 1.447 -1.084 -7.314 1.00 0.00 C ATOM 591 O LEU A 37 1.900 0.014 -7.019 1.00 0.00 O ATOM 592 CB LEU A 37 2.178 -3.049 -5.962 1.00 0.00 C ATOM 593 CG LEU A 37 1.987 -3.946 -4.744 1.00 0.00 C ATOM 594 CD1 LEU A 37 2.982 -5.078 -4.768 1.00 0.00 C ATOM 595 CD2 LEU A 37 2.142 -3.141 -3.457 1.00 0.00 C ATOM 0 H LEU A 37 0.017 -3.772 -6.822 1.00 0.00 H new ATOM 0 HA LEU A 37 0.847 -1.498 -5.327 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.305 -3.681 -6.841 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.104 -2.488 -5.836 1.00 0.00 H new ATOM 0 HG LEU A 37 0.979 -4.360 -4.777 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.835 -5.711 -3.893 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.838 -5.670 -5.672 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.994 -4.673 -4.757 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.002 -3.798 -2.598 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.139 -2.702 -3.420 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.395 -2.347 -3.432 1.00 0.00 H new ATOM 607 N ASN A 38 1.255 -1.480 -8.561 1.00 0.00 N ATOM 608 CA ASN A 38 1.576 -0.626 -9.705 1.00 0.00 C ATOM 609 C ASN A 38 0.761 0.651 -9.694 1.00 0.00 C ATOM 610 O ASN A 38 1.308 1.749 -9.890 1.00 0.00 O ATOM 611 CB ASN A 38 1.408 -1.351 -11.055 1.00 0.00 C ATOM 612 CG ASN A 38 2.413 -2.464 -11.271 1.00 0.00 C ATOM 613 OD1 ASN A 38 3.497 -2.443 -10.725 1.00 0.00 O ATOM 614 ND2 ASN A 38 2.071 -3.436 -12.069 1.00 0.00 N ATOM 0 H ASN A 38 0.876 -2.393 -8.814 1.00 0.00 H new ATOM 0 HA ASN A 38 2.630 -0.369 -9.600 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.401 -1.765 -11.114 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.502 -0.625 -11.863 1.00 0.00 H new ATOM 0 HD21 ASN A 38 2.720 -4.202 -12.247 1.00 0.00 H new ATOM 0 HD22 ASN A 38 1.154 -3.430 -12.516 1.00 0.00 H new ATOM 621 N GLU A 39 -0.530 0.539 -9.428 1.00 0.00 N ATOM 622 CA GLU A 39 -1.353 1.725 -9.399 1.00 0.00 C ATOM 623 C GLU A 39 -1.079 2.550 -8.154 1.00 0.00 C ATOM 624 O GLU A 39 -1.065 3.779 -8.226 1.00 0.00 O ATOM 625 CB GLU A 39 -2.843 1.436 -9.615 1.00 0.00 C ATOM 626 CG GLU A 39 -3.496 0.524 -8.608 1.00 0.00 C ATOM 627 CD GLU A 39 -4.925 0.244 -8.981 1.00 0.00 C ATOM 628 OE1 GLU A 39 -5.814 1.052 -8.667 1.00 0.00 O ATOM 629 OE2 GLU A 39 -5.184 -0.783 -9.617 1.00 0.00 O ATOM 0 H GLU A 39 -1.015 -0.337 -9.235 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.065 2.332 -10.257 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.379 2.385 -9.617 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.967 0.998 -10.605 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.942 -0.413 -8.548 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.457 0.981 -7.619 1.00 0.00 H new ATOM 636 N ILE A 40 -0.803 1.877 -7.026 1.00 0.00 N ATOM 637 CA ILE A 40 -0.414 2.571 -5.799 1.00 0.00 C ATOM 638 C ILE A 40 0.833 3.400 -6.058 1.00 0.00 C ATOM 639 O ILE A 40 0.836 4.576 -5.809 1.00 0.00 O ATOM 640 CB ILE A 40 -0.166 1.591 -4.602 1.00 0.00 C ATOM 641 CG1 ILE A 40 -1.475 0.918 -4.187 1.00 0.00 C ATOM 642 CG2 ILE A 40 0.463 2.318 -3.402 1.00 0.00 C ATOM 643 CD1 ILE A 40 -1.317 -0.135 -3.110 1.00 0.00 C ATOM 0 H ILE A 40 -0.843 0.861 -6.943 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.244 3.217 -5.513 1.00 0.00 H new ATOM 0 HB ILE A 40 0.536 0.827 -4.936 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.167 1.682 -3.834 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.929 0.458 -5.065 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.622 1.609 -2.589 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.419 2.750 -3.698 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.205 3.111 -3.066 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.291 -0.563 -2.874 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.652 -0.922 -3.465 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.894 0.321 -2.215 1.00 0.00 H new ATOM 655 N ALA A 41 1.845 2.778 -6.632 1.00 0.00 N ATOM 656 CA ALA A 41 3.117 3.431 -6.937 1.00 0.00 C ATOM 657 C ALA A 41 2.974 4.559 -7.950 1.00 0.00 C ATOM 658 O ALA A 41 3.814 5.440 -8.021 1.00 0.00 O ATOM 659 CB ALA A 41 4.154 2.433 -7.388 1.00 0.00 C ATOM 0 H ALA A 41 1.813 1.796 -6.905 1.00 0.00 H new ATOM 0 HA ALA A 41 3.458 3.884 -6.006 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.087 2.952 -7.607 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.322 1.701 -6.598 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.803 1.924 -8.286 1.00 0.00 H new ATOM 665 N SER A 42 2.011 4.458 -8.817 1.00 0.00 N ATOM 666 CA SER A 42 1.768 5.534 -9.749 1.00 0.00 C ATOM 667 C SER A 42 1.114 6.742 -9.054 1.00 0.00 C ATOM 668 O SER A 42 1.526 7.885 -9.267 1.00 0.00 O ATOM 669 CB SER A 42 0.958 5.056 -10.945 1.00 0.00 C ATOM 670 OG SER A 42 1.578 3.935 -11.583 1.00 0.00 O ATOM 0 H SER A 42 1.386 3.657 -8.904 1.00 0.00 H new ATOM 0 HA SER A 42 2.733 5.870 -10.129 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.046 4.782 -10.620 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.850 5.870 -11.662 1.00 0.00 H new ATOM 0 HG SER A 42 1.500 3.146 -11.007 1.00 0.00 H new ATOM 676 N LEU A 43 0.107 6.477 -8.231 1.00 0.00 N ATOM 677 CA LEU A 43 -0.600 7.530 -7.507 1.00 0.00 C ATOM 678 C LEU A 43 0.324 8.125 -6.450 1.00 0.00 C ATOM 679 O LEU A 43 0.500 9.344 -6.353 1.00 0.00 O ATOM 680 CB LEU A 43 -1.863 6.952 -6.850 1.00 0.00 C ATOM 681 CG LEU A 43 -2.881 6.303 -7.800 1.00 0.00 C ATOM 682 CD1 LEU A 43 -3.998 5.646 -7.018 1.00 0.00 C ATOM 683 CD2 LEU A 43 -3.448 7.321 -8.774 1.00 0.00 C ATOM 0 H LEU A 43 -0.241 5.536 -8.047 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.898 8.316 -8.201 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.557 6.208 -6.114 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.364 7.752 -6.305 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.359 5.537 -8.374 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.708 5.192 -7.709 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.583 4.876 -6.367 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.509 6.396 -6.413 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.165 6.833 -9.434 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.947 8.116 -8.220 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.639 7.746 -9.368 1.00 0.00 H new ATOM 695 N LEU A 44 0.915 7.245 -5.683 1.00 0.00 N ATOM 696 CA LEU A 44 1.860 7.580 -4.653 1.00 0.00 C ATOM 697 C LEU A 44 3.184 7.858 -5.301 1.00 0.00 C ATOM 698 O LEU A 44 3.796 6.962 -5.827 1.00 0.00 O ATOM 699 CB LEU A 44 1.983 6.392 -3.678 1.00 0.00 C ATOM 700 CG LEU A 44 3.088 6.444 -2.624 1.00 0.00 C ATOM 701 CD1 LEU A 44 2.846 7.539 -1.605 1.00 0.00 C ATOM 702 CD2 LEU A 44 3.241 5.084 -1.959 1.00 0.00 C ATOM 0 H LEU A 44 0.745 6.242 -5.762 1.00 0.00 H new ATOM 0 HA LEU A 44 1.532 8.459 -4.098 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.030 6.285 -3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.127 5.488 -4.269 1.00 0.00 H new ATOM 0 HG LEU A 44 4.024 6.689 -3.126 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.655 7.541 -0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.811 8.504 -2.110 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.898 7.360 -1.097 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.031 5.132 -1.210 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.303 4.806 -1.479 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.499 4.338 -2.711 1.00 0.00 H new ATOM 714 N GLY A 45 3.562 9.109 -5.322 1.00 0.00 N ATOM 715 CA GLY A 45 4.844 9.534 -5.907 1.00 0.00 C ATOM 716 C GLY A 45 6.094 8.885 -5.293 1.00 0.00 C ATOM 717 O GLY A 45 6.778 9.495 -4.486 1.00 0.00 O ATOM 0 H GLY A 45 3.005 9.873 -4.940 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.828 9.314 -6.974 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.930 10.616 -5.806 1.00 0.00 H new ATOM 721 N VAL A 46 6.356 7.656 -5.665 1.00 0.00 N ATOM 722 CA VAL A 46 7.528 6.906 -5.242 1.00 0.00 C ATOM 723 C VAL A 46 8.077 6.139 -6.431 1.00 0.00 C ATOM 724 O VAL A 46 7.439 6.090 -7.500 1.00 0.00 O ATOM 725 CB VAL A 46 7.204 5.880 -4.106 1.00 0.00 C ATOM 726 CG1 VAL A 46 6.829 6.581 -2.807 1.00 0.00 C ATOM 727 CG2 VAL A 46 6.098 4.910 -4.541 1.00 0.00 C ATOM 0 H VAL A 46 5.745 7.128 -6.289 1.00 0.00 H new ATOM 0 HA VAL A 46 8.252 7.623 -4.855 1.00 0.00 H new ATOM 0 HB VAL A 46 8.110 5.303 -3.919 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.611 5.836 -2.042 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.659 7.207 -2.478 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.948 7.202 -2.970 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.892 4.207 -3.734 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.193 5.471 -4.774 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.422 4.361 -5.425 1.00 0.00 H new ATOM 737 N LYS A 47 9.231 5.539 -6.263 1.00 0.00 N ATOM 738 CA LYS A 47 9.813 4.718 -7.316 1.00 0.00 C ATOM 739 C LYS A 47 9.326 3.310 -7.129 1.00 0.00 C ATOM 740 O LYS A 47 8.948 2.924 -6.015 1.00 0.00 O ATOM 741 CB LYS A 47 11.330 4.664 -7.219 1.00 0.00 C ATOM 742 CG LYS A 47 12.024 5.977 -7.108 1.00 0.00 C ATOM 743 CD LYS A 47 13.499 5.766 -6.873 1.00 0.00 C ATOM 744 CE LYS A 47 14.179 7.054 -6.479 1.00 0.00 C ATOM 745 NZ LYS A 47 13.527 7.668 -5.295 1.00 0.00 N ATOM 0 H LYS A 47 9.790 5.599 -5.412 1.00 0.00 H new ATOM 0 HA LYS A 47 9.525 5.149 -8.275 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.598 4.060 -6.352 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.712 4.147 -8.099 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.872 6.555 -8.019 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.596 6.555 -6.289 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.642 5.022 -6.090 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.961 5.370 -7.777 1.00 0.00 H new ATOM 0 HE2 LYS A 47 15.229 6.861 -6.259 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.152 7.753 -7.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.211 8.272 -4.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.718 8.244 -5.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.194 6.919 -4.655 1.00 0.00 H new ATOM 759 N LYS A 48 9.370 2.527 -8.172 1.00 0.00 N ATOM 760 CA LYS A 48 8.986 1.146 -8.062 1.00 0.00 C ATOM 761 C LYS A 48 10.059 0.396 -7.270 1.00 0.00 C ATOM 762 O LYS A 48 9.763 -0.508 -6.540 1.00 0.00 O ATOM 763 CB LYS A 48 8.824 0.496 -9.436 1.00 0.00 C ATOM 764 CG LYS A 48 8.250 -0.916 -9.358 1.00 0.00 C ATOM 765 CD LYS A 48 6.716 -0.945 -9.135 1.00 0.00 C ATOM 766 CE LYS A 48 5.912 -0.721 -10.435 1.00 0.00 C ATOM 767 NZ LYS A 48 6.127 0.593 -11.069 1.00 0.00 N ATOM 0 H LYS A 48 9.666 2.819 -9.103 1.00 0.00 H new ATOM 0 HA LYS A 48 8.024 1.096 -7.552 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.171 1.115 -10.051 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.793 0.462 -9.934 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.486 -1.448 -10.280 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.738 -1.454 -8.546 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.436 -1.905 -8.702 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.445 -0.177 -8.410 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.175 -1.502 -11.149 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.851 -0.835 -10.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.328 0.810 -11.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.198 1.326 -10.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.007 0.571 -11.623 1.00 0.00 H new ATOM 781 N GLU A 49 11.302 0.828 -7.441 1.00 0.00 N ATOM 782 CA GLU A 49 12.484 0.232 -6.806 1.00 0.00 C ATOM 783 C GLU A 49 12.349 0.192 -5.265 1.00 0.00 C ATOM 784 O GLU A 49 12.374 -0.884 -4.628 1.00 0.00 O ATOM 785 CB GLU A 49 13.759 1.043 -7.169 1.00 0.00 C ATOM 786 CG GLU A 49 13.993 1.317 -8.659 1.00 0.00 C ATOM 787 CD GLU A 49 13.204 2.496 -9.196 1.00 0.00 C ATOM 788 OE1 GLU A 49 12.014 2.326 -9.551 1.00 0.00 O ATOM 789 OE2 GLU A 49 13.756 3.603 -9.269 1.00 0.00 O ATOM 0 H GLU A 49 11.528 1.623 -8.039 1.00 0.00 H new ATOM 0 HA GLU A 49 12.565 -0.789 -7.179 1.00 0.00 H new ATOM 0 HB2 GLU A 49 13.715 2.000 -6.649 1.00 0.00 H new ATOM 0 HB3 GLU A 49 14.626 0.509 -6.780 1.00 0.00 H new ATOM 0 HG2 GLU A 49 15.055 1.498 -8.823 1.00 0.00 H new ATOM 0 HG3 GLU A 49 13.729 0.426 -9.229 1.00 0.00 H new ATOM 796 N GLU A 50 12.153 1.358 -4.687 1.00 0.00 N ATOM 797 CA GLU A 50 12.046 1.519 -3.239 1.00 0.00 C ATOM 798 C GLU A 50 10.776 0.869 -2.714 1.00 0.00 C ATOM 799 O GLU A 50 10.767 0.245 -1.638 1.00 0.00 O ATOM 800 CB GLU A 50 12.123 3.004 -2.887 1.00 0.00 C ATOM 801 CG GLU A 50 11.112 3.859 -3.627 1.00 0.00 C ATOM 802 CD GLU A 50 11.486 5.322 -3.652 1.00 0.00 C ATOM 803 OE1 GLU A 50 12.690 5.639 -3.735 1.00 0.00 O ATOM 804 OE2 GLU A 50 10.584 6.173 -3.645 1.00 0.00 O ATOM 0 H GLU A 50 12.062 2.231 -5.206 1.00 0.00 H new ATOM 0 HA GLU A 50 12.879 1.011 -2.753 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.970 3.123 -1.814 1.00 0.00 H new ATOM 0 HB3 GLU A 50 13.126 3.369 -3.108 1.00 0.00 H new ATOM 0 HG2 GLU A 50 11.017 3.496 -4.650 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.135 3.747 -3.157 1.00 0.00 H new ATOM 811 N LEU A 51 9.715 0.947 -3.496 1.00 0.00 N ATOM 812 CA LEU A 51 8.491 0.326 -3.107 1.00 0.00 C ATOM 813 C LEU A 51 8.603 -1.178 -3.321 1.00 0.00 C ATOM 814 O LEU A 51 7.835 -1.908 -2.795 1.00 0.00 O ATOM 815 CB LEU A 51 7.298 0.879 -3.873 1.00 0.00 C ATOM 816 CG LEU A 51 5.914 0.426 -3.366 1.00 0.00 C ATOM 817 CD1 LEU A 51 5.620 0.985 -1.982 1.00 0.00 C ATOM 818 CD2 LEU A 51 4.825 0.805 -4.341 1.00 0.00 C ATOM 0 H LEU A 51 9.689 1.432 -4.393 1.00 0.00 H new ATOM 0 HA LEU A 51 8.321 0.543 -2.052 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.339 1.968 -3.838 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.395 0.589 -4.919 1.00 0.00 H new ATOM 0 HG LEU A 51 5.934 -0.661 -3.289 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.637 0.647 -1.654 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.377 0.635 -1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.635 2.074 -2.019 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.861 0.473 -3.957 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.811 1.887 -4.468 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.016 0.329 -5.303 1.00 0.00 H new ATOM 830 N GLY A 52 9.592 -1.600 -4.104 1.00 0.00 N ATOM 831 CA GLY A 52 9.862 -3.009 -4.347 1.00 0.00 C ATOM 832 C GLY A 52 10.368 -3.662 -3.100 1.00 0.00 C ATOM 833 O GLY A 52 9.937 -4.769 -2.728 1.00 0.00 O ATOM 0 H GLY A 52 10.230 -0.969 -4.589 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.953 -3.508 -4.684 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.597 -3.113 -5.145 1.00 0.00 H new ATOM 837 N ASP A 53 11.242 -2.951 -2.415 1.00 0.00 N ATOM 838 CA ASP A 53 11.739 -3.392 -1.108 1.00 0.00 C ATOM 839 C ASP A 53 10.549 -3.442 -0.141 1.00 0.00 C ATOM 840 O ASP A 53 10.400 -4.356 0.687 1.00 0.00 O ATOM 841 CB ASP A 53 12.806 -2.421 -0.607 1.00 0.00 C ATOM 842 CG ASP A 53 13.362 -2.790 0.746 1.00 0.00 C ATOM 843 OD1 ASP A 53 14.341 -3.569 0.812 1.00 0.00 O ATOM 844 OD2 ASP A 53 12.870 -2.271 1.754 1.00 0.00 O ATOM 0 H ASP A 53 11.629 -2.063 -2.735 1.00 0.00 H new ATOM 0 HA ASP A 53 12.194 -4.380 -1.181 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.622 -2.384 -1.329 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.380 -1.419 -0.556 1.00 0.00 H new ATOM 849 N ARG A 54 9.660 -2.477 -0.315 1.00 0.00 N ATOM 850 CA ARG A 54 8.410 -2.436 0.421 1.00 0.00 C ATOM 851 C ARG A 54 7.423 -3.504 -0.033 1.00 0.00 C ATOM 852 O ARG A 54 6.473 -3.736 0.627 1.00 0.00 O ATOM 853 CB ARG A 54 7.762 -1.048 0.442 1.00 0.00 C ATOM 854 CG ARG A 54 8.097 -0.234 1.680 1.00 0.00 C ATOM 855 CD ARG A 54 9.580 0.020 1.819 1.00 0.00 C ATOM 856 NE ARG A 54 9.889 0.559 3.150 1.00 0.00 N ATOM 857 CZ ARG A 54 11.058 0.478 3.795 1.00 0.00 C ATOM 858 NH1 ARG A 54 12.079 -0.245 3.322 1.00 0.00 N ATOM 859 NH2 ARG A 54 11.170 1.078 4.954 1.00 0.00 N ATOM 0 H ARG A 54 9.785 -1.704 -0.968 1.00 0.00 H new ATOM 0 HA ARG A 54 8.683 -2.666 1.451 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.080 -0.495 -0.442 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.680 -1.161 0.375 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.570 0.719 1.638 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.737 -0.759 2.565 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.130 -0.907 1.660 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.908 0.721 1.052 1.00 0.00 H new ATOM 0 HE ARG A 54 9.134 1.046 3.633 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.979 -0.756 2.445 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.958 -0.286 3.839 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.378 1.590 5.342 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.050 1.033 5.469 1.00 0.00 H new ATOM 873 N ILE A 55 7.647 -4.111 -1.190 1.00 0.00 N ATOM 874 CA ILE A 55 6.812 -5.208 -1.669 1.00 0.00 C ATOM 875 C ILE A 55 7.136 -6.445 -0.861 1.00 0.00 C ATOM 876 O ILE A 55 6.251 -7.229 -0.521 1.00 0.00 O ATOM 877 CB ILE A 55 6.996 -5.487 -3.204 1.00 0.00 C ATOM 878 CG1 ILE A 55 6.492 -4.295 -4.027 1.00 0.00 C ATOM 879 CG2 ILE A 55 6.296 -6.773 -3.630 1.00 0.00 C ATOM 880 CD1 ILE A 55 6.610 -4.469 -5.535 1.00 0.00 C ATOM 0 H ILE A 55 8.408 -3.860 -1.821 1.00 0.00 H new ATOM 0 HA ILE A 55 5.767 -4.926 -1.536 1.00 0.00 H new ATOM 0 HB ILE A 55 8.061 -5.618 -3.394 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.447 -4.114 -3.776 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.049 -3.406 -3.733 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.446 -6.932 -4.698 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.712 -7.614 -3.076 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.229 -6.693 -3.421 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.230 -3.578 -6.035 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.656 -4.618 -5.803 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.029 -5.336 -5.848 1.00 0.00 H new ATOM 892 N ALA A 56 8.409 -6.598 -0.536 1.00 0.00 N ATOM 893 CA ALA A 56 8.846 -7.677 0.343 1.00 0.00 C ATOM 894 C ALA A 56 8.169 -7.508 1.705 1.00 0.00 C ATOM 895 O ALA A 56 7.514 -8.441 2.240 1.00 0.00 O ATOM 896 CB ALA A 56 10.356 -7.650 0.490 1.00 0.00 C ATOM 0 H ALA A 56 9.159 -5.991 -0.866 1.00 0.00 H new ATOM 0 HA ALA A 56 8.565 -8.640 -0.083 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.672 -8.459 1.148 1.00 0.00 H new ATOM 0 HB2 ALA A 56 10.819 -7.776 -0.489 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.663 -6.695 0.916 1.00 0.00 H new ATOM 902 N GLN A 57 8.266 -6.278 2.224 1.00 0.00 N ATOM 903 CA GLN A 57 7.631 -5.913 3.485 1.00 0.00 C ATOM 904 C GLN A 57 6.117 -6.122 3.358 1.00 0.00 C ATOM 905 O GLN A 57 5.480 -6.631 4.261 1.00 0.00 O ATOM 906 CB GLN A 57 7.986 -4.436 3.850 1.00 0.00 C ATOM 907 CG GLN A 57 7.589 -3.980 5.269 1.00 0.00 C ATOM 908 CD GLN A 57 6.099 -3.724 5.474 1.00 0.00 C ATOM 909 OE1 GLN A 57 5.398 -3.281 4.574 1.00 0.00 O ATOM 910 NE2 GLN A 57 5.613 -4.054 6.638 1.00 0.00 N ATOM 0 H GLN A 57 8.783 -5.518 1.782 1.00 0.00 H new ATOM 0 HA GLN A 57 7.998 -6.546 4.293 1.00 0.00 H new ATOM 0 HB2 GLN A 57 9.061 -4.301 3.733 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.502 -3.777 3.129 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.913 -4.739 5.981 1.00 0.00 H new ATOM 0 HG3 GLN A 57 8.135 -3.067 5.506 1.00 0.00 H new ATOM 0 HE21 GLN A 57 6.230 -4.420 7.363 1.00 0.00 H new ATOM 0 HE22 GLN A 57 4.616 -3.946 6.823 1.00 0.00 H new ATOM 919 N PHE A 58 5.583 -5.776 2.194 1.00 0.00 N ATOM 920 CA PHE A 58 4.172 -5.882 1.893 1.00 0.00 C ATOM 921 C PHE A 58 3.714 -7.317 1.958 1.00 0.00 C ATOM 922 O PHE A 58 2.677 -7.561 2.487 1.00 0.00 O ATOM 923 CB PHE A 58 3.841 -5.258 0.528 1.00 0.00 C ATOM 924 CG PHE A 58 2.370 -5.111 0.222 1.00 0.00 C ATOM 925 CD1 PHE A 58 1.578 -4.253 0.966 1.00 0.00 C ATOM 926 CD2 PHE A 58 1.789 -5.814 -0.810 1.00 0.00 C ATOM 927 CE1 PHE A 58 0.238 -4.102 0.684 1.00 0.00 C ATOM 928 CE2 PHE A 58 0.448 -5.666 -1.101 1.00 0.00 C ATOM 929 CZ PHE A 58 -0.329 -4.808 -0.352 1.00 0.00 C ATOM 0 H PHE A 58 6.135 -5.407 1.420 1.00 0.00 H new ATOM 0 HA PHE A 58 3.628 -5.319 2.652 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.306 -4.273 0.476 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.298 -5.868 -0.251 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.017 -3.694 1.779 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.391 -6.490 -1.399 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.367 -3.430 1.275 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.007 -6.222 -1.915 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.379 -4.691 -0.578 1.00 0.00 H new ATOM 939 N TYR A 59 4.505 -8.269 1.430 1.00 0.00 N ATOM 940 CA TYR A 59 4.157 -9.700 1.554 1.00 0.00 C ATOM 941 C TYR A 59 3.933 -10.045 3.001 1.00 0.00 C ATOM 942 O TYR A 59 2.896 -10.595 3.367 1.00 0.00 O ATOM 943 CB TYR A 59 5.246 -10.631 1.018 1.00 0.00 C ATOM 944 CG TYR A 59 5.315 -10.789 -0.474 1.00 0.00 C ATOM 945 CD1 TYR A 59 4.334 -11.491 -1.152 1.00 0.00 C ATOM 946 CD2 TYR A 59 6.380 -10.294 -1.194 1.00 0.00 C ATOM 947 CE1 TYR A 59 4.417 -11.687 -2.510 1.00 0.00 C ATOM 948 CE2 TYR A 59 6.469 -10.474 -2.554 1.00 0.00 C ATOM 949 CZ TYR A 59 5.486 -11.174 -3.206 1.00 0.00 C ATOM 950 OH TYR A 59 5.576 -11.372 -4.566 1.00 0.00 O ATOM 0 H TYR A 59 5.371 -8.082 0.924 1.00 0.00 H new ATOM 0 HA TYR A 59 3.256 -9.847 0.959 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.211 -10.265 1.368 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.100 -11.617 1.460 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.492 -11.890 -0.607 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.161 -9.754 -0.680 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.647 -12.241 -3.027 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.305 -10.068 -3.104 1.00 0.00 H new ATOM 0 HH TYR A 59 6.390 -10.945 -4.906 1.00 0.00 H new ATOM 960 N THR A 60 4.887 -9.671 3.810 1.00 0.00 N ATOM 961 CA THR A 60 4.840 -9.912 5.228 1.00 0.00 C ATOM 962 C THR A 60 3.612 -9.227 5.893 1.00 0.00 C ATOM 963 O THR A 60 2.768 -9.889 6.516 1.00 0.00 O ATOM 964 CB THR A 60 6.151 -9.401 5.841 1.00 0.00 C ATOM 965 OG1 THR A 60 7.250 -10.093 5.214 1.00 0.00 O ATOM 966 CG2 THR A 60 6.183 -9.601 7.346 1.00 0.00 C ATOM 0 H THR A 60 5.729 -9.185 3.500 1.00 0.00 H new ATOM 0 HA THR A 60 4.729 -10.981 5.408 1.00 0.00 H new ATOM 0 HB THR A 60 6.232 -8.329 5.663 1.00 0.00 H new ATOM 0 HG1 THR A 60 8.096 -9.776 5.594 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.127 -9.227 7.743 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.356 -9.057 7.803 1.00 0.00 H new ATOM 0 HG23 THR A 60 6.089 -10.663 7.574 1.00 0.00 H new ATOM 974 N ASP A 61 3.494 -7.934 5.672 1.00 0.00 N ATOM 975 CA ASP A 61 2.473 -7.082 6.287 1.00 0.00 C ATOM 976 C ASP A 61 1.065 -7.515 5.856 1.00 0.00 C ATOM 977 O ASP A 61 0.130 -7.546 6.651 1.00 0.00 O ATOM 978 CB ASP A 61 2.725 -5.636 5.848 1.00 0.00 C ATOM 979 CG ASP A 61 2.181 -4.599 6.796 1.00 0.00 C ATOM 980 OD1 ASP A 61 0.991 -4.252 6.731 1.00 0.00 O ATOM 981 OD2 ASP A 61 2.964 -4.077 7.612 1.00 0.00 O ATOM 0 H ASP A 61 4.117 -7.425 5.045 1.00 0.00 H new ATOM 0 HA ASP A 61 2.535 -7.170 7.372 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.799 -5.484 5.738 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.279 -5.483 4.865 1.00 0.00 H new ATOM 986 N LEU A 62 0.950 -7.884 4.607 1.00 0.00 N ATOM 987 CA LEU A 62 -0.304 -8.283 3.992 1.00 0.00 C ATOM 988 C LEU A 62 -0.721 -9.677 4.450 1.00 0.00 C ATOM 989 O LEU A 62 -1.888 -9.929 4.708 1.00 0.00 O ATOM 990 CB LEU A 62 -0.128 -8.277 2.473 1.00 0.00 C ATOM 991 CG LEU A 62 -1.353 -8.497 1.620 1.00 0.00 C ATOM 992 CD1 LEU A 62 -2.317 -7.355 1.801 1.00 0.00 C ATOM 993 CD2 LEU A 62 -0.952 -8.622 0.168 1.00 0.00 C ATOM 0 H LEU A 62 1.743 -7.919 3.966 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.083 -7.581 4.290 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.309 -7.319 2.191 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.600 -9.047 2.218 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.844 -9.420 1.929 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.199 -7.521 1.182 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.615 -7.293 2.848 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.836 -6.423 1.505 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.841 -8.781 -0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.451 -7.708 -0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.274 -9.468 0.049 1.00 0.00 H new ATOM 1005 N ASN A 63 0.242 -10.577 4.567 1.00 0.00 N ATOM 1006 CA ASN A 63 -0.056 -11.962 4.932 1.00 0.00 C ATOM 1007 C ASN A 63 -0.528 -12.061 6.378 1.00 0.00 C ATOM 1008 O ASN A 63 -1.338 -12.918 6.720 1.00 0.00 O ATOM 1009 CB ASN A 63 1.157 -12.871 4.694 1.00 0.00 C ATOM 1010 CG ASN A 63 0.839 -14.351 4.850 1.00 0.00 C ATOM 1011 OD1 ASN A 63 0.942 -14.920 5.933 1.00 0.00 O ATOM 1012 ND2 ASN A 63 0.471 -14.991 3.760 1.00 0.00 N ATOM 0 H ASN A 63 1.232 -10.380 4.417 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.866 -12.304 4.288 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.544 -12.693 3.691 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.948 -12.601 5.394 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.262 -15.989 3.800 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.395 -14.489 2.875 1.00 0.00 H new ATOM 1019 N ILE A 64 -0.053 -11.155 7.215 1.00 0.00 N ATOM 1020 CA ILE A 64 -0.443 -11.139 8.623 1.00 0.00 C ATOM 1021 C ILE A 64 -1.702 -10.287 8.845 1.00 0.00 C ATOM 1022 O ILE A 64 -2.178 -10.132 9.983 1.00 0.00 O ATOM 1023 CB ILE A 64 0.705 -10.646 9.552 1.00 0.00 C ATOM 1024 CG1 ILE A 64 1.125 -9.205 9.193 1.00 0.00 C ATOM 1025 CG2 ILE A 64 1.897 -11.603 9.476 1.00 0.00 C ATOM 1026 CD1 ILE A 64 2.232 -8.631 10.057 1.00 0.00 C ATOM 0 H ILE A 64 0.602 -10.420 6.949 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.665 -12.172 8.890 1.00 0.00 H new ATOM 0 HB ILE A 64 0.339 -10.636 10.579 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.448 -9.184 8.152 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.251 -8.557 9.269 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.692 -11.246 10.130 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.585 -12.598 9.793 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.263 -11.647 8.450 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.459 -7.616 9.731 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.909 -8.614 11.098 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.124 -9.250 9.964 1.00 0.00 H new ATOM 1038 N ASP A 65 -2.249 -9.753 7.766 1.00 0.00 N ATOM 1039 CA ASP A 65 -3.455 -8.941 7.840 1.00 0.00 C ATOM 1040 C ASP A 65 -4.671 -9.858 7.819 1.00 0.00 C ATOM 1041 O ASP A 65 -4.671 -10.886 7.118 1.00 0.00 O ATOM 1042 CB ASP A 65 -3.518 -7.920 6.689 1.00 0.00 C ATOM 1043 CG ASP A 65 -4.749 -7.039 6.754 1.00 0.00 C ATOM 1044 OD1 ASP A 65 -5.783 -7.426 6.220 1.00 0.00 O ATOM 1045 OD2 ASP A 65 -4.695 -5.951 7.383 1.00 0.00 O ATOM 0 H ASP A 65 -1.876 -9.867 6.824 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.443 -8.372 8.770 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.626 -7.294 6.716 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.506 -8.451 5.737 1.00 0.00 H new ATOM 1050 N GLY A 66 -5.684 -9.518 8.590 1.00 0.00 N ATOM 1051 CA GLY A 66 -6.843 -10.370 8.695 1.00 0.00 C ATOM 1052 C GLY A 66 -8.030 -9.872 7.898 1.00 0.00 C ATOM 1053 O GLY A 66 -9.072 -10.540 7.849 1.00 0.00 O ATOM 0 H GLY A 66 -5.725 -8.665 9.147 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.580 -11.372 8.354 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.129 -10.455 9.743 1.00 0.00 H new ATOM 1057 N ARG A 67 -7.891 -8.726 7.271 1.00 0.00 N ATOM 1058 CA ARG A 67 -8.963 -8.146 6.467 1.00 0.00 C ATOM 1059 C ARG A 67 -8.811 -8.703 5.077 1.00 0.00 C ATOM 1060 O ARG A 67 -9.786 -8.955 4.351 1.00 0.00 O ATOM 1061 CB ARG A 67 -8.765 -6.649 6.330 1.00 0.00 C ATOM 1062 CG ARG A 67 -8.544 -5.866 7.597 1.00 0.00 C ATOM 1063 CD ARG A 67 -7.958 -4.538 7.200 1.00 0.00 C ATOM 1064 NE ARG A 67 -7.725 -3.613 8.295 1.00 0.00 N ATOM 1065 CZ ARG A 67 -6.616 -2.881 8.396 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -5.467 -3.317 7.871 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -6.612 -1.784 9.115 1.00 0.00 N ATOM 0 H ARG A 67 -7.039 -8.166 7.298 1.00 0.00 H new ATOM 0 HA ARG A 67 -9.926 -8.365 6.929 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.911 -6.480 5.675 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.640 -6.237 5.826 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -9.483 -5.728 8.133 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -7.870 -6.400 8.267 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -7.012 -4.715 6.687 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -8.627 -4.064 6.481 1.00 0.00 H new ATOM 0 HE ARG A 67 -8.440 -3.520 9.017 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -5.435 -4.215 7.389 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.622 -2.751 7.952 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -7.460 -1.489 9.599 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.761 -1.226 9.190 1.00 0.00 H new ATOM 1081 N PHE A 68 -7.567 -8.824 4.700 1.00 0.00 N ATOM 1082 CA PHE A 68 -7.184 -9.308 3.432 1.00 0.00 C ATOM 1083 C PHE A 68 -7.384 -10.778 3.247 1.00 0.00 C ATOM 1084 O PHE A 68 -7.384 -11.591 4.196 1.00 0.00 O ATOM 1085 CB PHE A 68 -5.769 -8.902 3.079 1.00 0.00 C ATOM 1086 CG PHE A 68 -5.720 -7.675 2.235 1.00 0.00 C ATOM 1087 CD1 PHE A 68 -5.736 -6.409 2.789 1.00 0.00 C ATOM 1088 CD2 PHE A 68 -5.658 -7.801 0.865 1.00 0.00 C ATOM 1089 CE1 PHE A 68 -5.691 -5.295 1.974 1.00 0.00 C ATOM 1090 CE2 PHE A 68 -5.613 -6.709 0.056 1.00 0.00 C ATOM 1091 CZ PHE A 68 -5.629 -5.456 0.600 1.00 0.00 C ATOM 0 H PHE A 68 -6.778 -8.576 5.297 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.868 -8.828 2.732 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.204 -8.731 3.996 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.280 -9.721 2.552 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -5.784 -6.291 3.861 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.645 -8.787 0.424 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.704 -4.305 2.405 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.565 -6.832 -1.016 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.593 -4.589 -0.043 1.00 0.00 H new ATOM 1101 N LEU A 69 -7.562 -11.099 2.023 1.00 0.00 N ATOM 1102 CA LEU A 69 -7.791 -12.400 1.570 1.00 0.00 C ATOM 1103 C LEU A 69 -7.123 -12.540 0.217 1.00 0.00 C ATOM 1104 O LEU A 69 -7.256 -11.650 -0.630 1.00 0.00 O ATOM 1105 CB LEU A 69 -9.298 -12.580 1.442 1.00 0.00 C ATOM 1106 CG LEU A 69 -9.814 -13.794 0.693 1.00 0.00 C ATOM 1107 CD1 LEU A 69 -9.354 -15.085 1.332 1.00 0.00 C ATOM 1108 CD2 LEU A 69 -11.310 -13.729 0.642 1.00 0.00 C ATOM 0 H LEU A 69 -7.549 -10.411 1.270 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.390 -13.152 2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.717 -12.607 2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.699 -11.692 0.953 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.408 -13.782 -0.319 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.745 -15.931 0.766 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.265 -15.122 1.334 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.721 -15.134 2.357 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.694 -14.597 0.106 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.709 -13.724 1.656 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.617 -12.819 0.127 1.00 0.00 H new ATOM 1120 N ALA A 70 -6.379 -13.588 0.028 1.00 0.00 N ATOM 1121 CA ALA A 70 -5.787 -13.852 -1.247 1.00 0.00 C ATOM 1122 C ALA A 70 -6.722 -14.724 -1.977 1.00 0.00 C ATOM 1123 O ALA A 70 -7.137 -15.763 -1.453 1.00 0.00 O ATOM 1124 CB ALA A 70 -4.445 -14.550 -1.119 1.00 0.00 C ATOM 0 H ALA A 70 -6.167 -14.279 0.748 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.608 -12.911 -1.767 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.033 -14.730 -2.112 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.760 -13.921 -0.551 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.577 -15.501 -0.603 1.00 0.00 H new ATOM 1130 N LEU A 71 -7.109 -14.316 -3.131 1.00 0.00 N ATOM 1131 CA LEU A 71 -7.990 -15.114 -3.899 1.00 0.00 C ATOM 1132 C LEU A 71 -7.194 -16.195 -4.639 1.00 0.00 C ATOM 1133 O LEU A 71 -6.033 -16.455 -4.325 1.00 0.00 O ATOM 1134 CB LEU A 71 -8.821 -14.283 -4.886 1.00 0.00 C ATOM 1135 CG LEU A 71 -9.484 -12.989 -4.382 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -10.573 -12.591 -5.318 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -10.020 -13.091 -2.975 1.00 0.00 C ATOM 0 H LEU A 71 -6.830 -13.435 -3.563 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.695 -15.584 -3.214 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.175 -14.020 -5.723 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.608 -14.926 -5.280 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.705 -12.227 -4.354 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.043 -11.674 -4.961 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.156 -12.422 -6.311 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.318 -13.385 -5.368 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -10.473 -12.142 -2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.771 -13.880 -2.928 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.204 -13.325 -2.291 1.00 0.00 H new ATOM 1149 N SER A 72 -7.816 -16.748 -5.639 1.00 0.00 N ATOM 1150 CA SER A 72 -7.378 -17.932 -6.327 1.00 0.00 C ATOM 1151 C SER A 72 -5.867 -18.031 -6.696 1.00 0.00 C ATOM 1152 O SER A 72 -5.173 -18.917 -6.177 1.00 0.00 O ATOM 1153 CB SER A 72 -8.228 -18.036 -7.567 1.00 0.00 C ATOM 1154 OG SER A 72 -9.593 -17.704 -7.244 1.00 0.00 O ATOM 0 H SER A 72 -8.684 -16.369 -6.017 1.00 0.00 H new ATOM 0 HA SER A 72 -7.499 -18.761 -5.630 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.851 -17.362 -8.337 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.175 -19.046 -7.974 1.00 0.00 H new ATOM 0 HG SER A 72 -10.145 -17.770 -8.051 1.00 0.00 H new ATOM 1160 N ASP A 73 -5.349 -17.149 -7.536 1.00 0.00 N ATOM 1161 CA ASP A 73 -3.961 -17.353 -8.000 1.00 0.00 C ATOM 1162 C ASP A 73 -3.004 -16.175 -7.781 1.00 0.00 C ATOM 1163 O ASP A 73 -1.786 -16.358 -7.749 1.00 0.00 O ATOM 1164 CB ASP A 73 -3.995 -17.775 -9.488 1.00 0.00 C ATOM 1165 CG ASP A 73 -2.633 -17.935 -10.135 1.00 0.00 C ATOM 1166 OD1 ASP A 73 -1.926 -18.909 -9.837 1.00 0.00 O ATOM 1167 OD2 ASP A 73 -2.253 -17.091 -10.985 1.00 0.00 O ATOM 0 H ASP A 73 -5.826 -16.325 -7.901 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.542 -18.140 -7.373 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -4.534 -18.719 -9.571 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.563 -17.033 -10.049 1.00 0.00 H new ATOM 1172 N GLN A 74 -3.534 -15.009 -7.524 1.00 0.00 N ATOM 1173 CA GLN A 74 -2.713 -13.800 -7.623 1.00 0.00 C ATOM 1174 C GLN A 74 -3.488 -12.579 -7.197 1.00 0.00 C ATOM 1175 O GLN A 74 -2.920 -11.564 -6.794 1.00 0.00 O ATOM 1176 CB GLN A 74 -2.233 -13.609 -9.103 1.00 0.00 C ATOM 1177 CG GLN A 74 -3.268 -13.099 -10.184 1.00 0.00 C ATOM 1178 CD GLN A 74 -4.594 -13.905 -10.390 1.00 0.00 C ATOM 1179 OE1 GLN A 74 -5.184 -14.477 -9.476 1.00 0.00 O ATOM 1180 NE2 GLN A 74 -5.059 -13.951 -11.593 1.00 0.00 N ATOM 0 H GLN A 74 -4.505 -14.856 -7.250 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.856 -13.919 -6.960 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.398 -12.908 -9.090 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.841 -14.566 -9.448 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -3.539 -12.075 -9.925 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.752 -13.059 -11.143 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -4.566 -13.475 -12.349 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -5.919 -14.463 -11.788 1.00 0.00 H new ATOM 1189 N THR A 75 -4.767 -12.666 -7.365 1.00 0.00 N ATOM 1190 CA THR A 75 -5.664 -11.631 -7.035 1.00 0.00 C ATOM 1191 C THR A 75 -5.862 -11.557 -5.540 1.00 0.00 C ATOM 1192 O THR A 75 -6.280 -12.511 -4.933 1.00 0.00 O ATOM 1193 CB THR A 75 -7.006 -11.891 -7.761 1.00 0.00 C ATOM 1194 OG1 THR A 75 -7.225 -13.333 -7.883 1.00 0.00 O ATOM 1195 CG2 THR A 75 -7.004 -11.264 -9.148 1.00 0.00 C ATOM 0 H THR A 75 -5.222 -13.493 -7.750 1.00 0.00 H new ATOM 0 HA THR A 75 -5.258 -10.672 -7.357 1.00 0.00 H new ATOM 0 HB THR A 75 -7.807 -11.439 -7.175 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.607 -13.703 -8.548 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.958 -11.461 -9.638 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.856 -10.188 -9.060 1.00 0.00 H new ATOM 0 HG23 THR A 75 -6.197 -11.694 -9.741 1.00 0.00 H new ATOM 1203 N TRP A 76 -5.499 -10.465 -4.947 1.00 0.00 N ATOM 1204 CA TRP A 76 -5.764 -10.278 -3.564 1.00 0.00 C ATOM 1205 C TRP A 76 -7.025 -9.480 -3.456 1.00 0.00 C ATOM 1206 O TRP A 76 -7.489 -8.906 -4.457 1.00 0.00 O ATOM 1207 CB TRP A 76 -4.594 -9.600 -2.830 1.00 0.00 C ATOM 1208 CG TRP A 76 -3.436 -10.521 -2.499 1.00 0.00 C ATOM 1209 CD1 TRP A 76 -2.452 -10.966 -3.342 1.00 0.00 C ATOM 1210 CD2 TRP A 76 -3.142 -11.093 -1.210 1.00 0.00 C ATOM 1211 NE1 TRP A 76 -1.569 -11.778 -2.652 1.00 0.00 N ATOM 1212 CE2 TRP A 76 -1.972 -11.869 -1.346 1.00 0.00 C ATOM 1213 CE3 TRP A 76 -3.758 -11.022 0.046 1.00 0.00 C ATOM 1214 CZ2 TRP A 76 -1.407 -12.565 -0.268 1.00 0.00 C ATOM 1215 CZ3 TRP A 76 -3.199 -11.711 1.108 1.00 0.00 C ATOM 1216 CH2 TRP A 76 -2.036 -12.471 0.945 1.00 0.00 C ATOM 0 H TRP A 76 -5.018 -9.690 -5.403 1.00 0.00 H new ATOM 0 HA TRP A 76 -5.884 -11.246 -3.077 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -4.224 -8.779 -3.445 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -4.968 -9.162 -1.905 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -2.377 -10.719 -4.391 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -0.750 -12.235 -3.052 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -4.656 -10.438 0.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -0.509 -13.153 -0.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -3.669 -11.661 2.079 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -1.625 -12.995 1.795 1.00 0.00 H new ATOM 1227 N GLY A 77 -7.616 -9.483 -2.320 1.00 0.00 N ATOM 1228 CA GLY A 77 -8.796 -8.745 -2.139 1.00 0.00 C ATOM 1229 C GLY A 77 -9.192 -8.697 -0.713 1.00 0.00 C ATOM 1230 O GLY A 77 -8.376 -8.922 0.177 1.00 0.00 O ATOM 0 H GLY A 77 -7.294 -9.995 -1.498 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.653 -7.731 -2.512 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.599 -9.191 -2.726 1.00 0.00 H new ATOM 1234 N LEU A 78 -10.429 -8.473 -0.491 1.00 0.00 N ATOM 1235 CA LEU A 78 -10.934 -8.308 0.836 1.00 0.00 C ATOM 1236 C LEU A 78 -11.773 -9.485 1.212 1.00 0.00 C ATOM 1237 O LEU A 78 -12.580 -9.969 0.416 1.00 0.00 O ATOM 1238 CB LEU A 78 -11.755 -7.017 0.963 1.00 0.00 C ATOM 1239 CG LEU A 78 -11.012 -5.702 0.696 1.00 0.00 C ATOM 1240 CD1 LEU A 78 -11.958 -4.521 0.831 1.00 0.00 C ATOM 1241 CD2 LEU A 78 -9.825 -5.543 1.643 1.00 0.00 C ATOM 0 H LEU A 78 -11.135 -8.396 -1.223 1.00 0.00 H new ATOM 0 HA LEU A 78 -10.084 -8.236 1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -12.597 -7.079 0.273 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.171 -6.975 1.970 1.00 0.00 H new ATOM 0 HG LEU A 78 -10.631 -5.730 -0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -11.415 -3.596 0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -12.770 -4.621 0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -12.369 -4.497 1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.315 -4.603 1.433 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -10.180 -5.541 2.674 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.132 -6.372 1.499 1.00 0.00 H new ATOM 1253 N ARG A 79 -11.598 -9.932 2.418 1.00 0.00 N ATOM 1254 CA ARG A 79 -12.347 -11.045 2.953 1.00 0.00 C ATOM 1255 C ARG A 79 -13.804 -10.644 3.178 1.00 0.00 C ATOM 1256 O ARG A 79 -14.687 -11.475 3.210 1.00 0.00 O ATOM 1257 CB ARG A 79 -11.699 -11.500 4.257 1.00 0.00 C ATOM 1258 CG ARG A 79 -12.452 -12.565 4.999 1.00 0.00 C ATOM 1259 CD ARG A 79 -11.735 -12.934 6.260 1.00 0.00 C ATOM 1260 NE ARG A 79 -12.527 -13.836 7.098 1.00 0.00 N ATOM 1261 CZ ARG A 79 -12.455 -13.913 8.429 1.00 0.00 C ATOM 1262 NH1 ARG A 79 -11.759 -13.009 9.124 1.00 0.00 N ATOM 1263 NH2 ARG A 79 -13.122 -14.863 9.070 1.00 0.00 N ATOM 0 H ARG A 79 -10.924 -9.534 3.072 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.335 -11.872 2.243 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -10.697 -11.869 4.038 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -11.584 -10.635 4.910 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -13.456 -12.211 5.235 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.565 -13.446 4.367 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -10.786 -13.410 6.012 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -11.501 -12.030 6.822 1.00 0.00 H new ATOM 0 HE ARG A 79 -13.187 -14.455 6.627 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -11.277 -12.253 8.638 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -11.709 -13.075 10.141 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -13.687 -15.531 8.546 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -13.070 -14.925 10.087 1.00 0.00 H new ATOM 1277 N SER A 80 -14.032 -9.359 3.262 1.00 0.00 N ATOM 1278 CA SER A 80 -15.338 -8.788 3.495 1.00 0.00 C ATOM 1279 C SER A 80 -16.372 -9.182 2.395 1.00 0.00 C ATOM 1280 O SER A 80 -17.578 -9.065 2.605 1.00 0.00 O ATOM 1281 CB SER A 80 -15.162 -7.281 3.566 1.00 0.00 C ATOM 1282 OG SER A 80 -14.036 -6.967 4.397 1.00 0.00 O ATOM 0 H SER A 80 -13.296 -8.660 3.168 1.00 0.00 H new ATOM 0 HA SER A 80 -15.745 -9.180 4.427 1.00 0.00 H new ATOM 0 HB2 SER A 80 -15.013 -6.875 2.566 1.00 0.00 H new ATOM 0 HB3 SER A 80 -16.063 -6.818 3.967 1.00 0.00 H new ATOM 0 HG SER A 80 -13.923 -5.995 4.440 1.00 0.00 H new ATOM 1288 N TRP A 81 -15.895 -9.665 1.240 1.00 0.00 N ATOM 1289 CA TRP A 81 -16.796 -10.049 0.157 1.00 0.00 C ATOM 1290 C TRP A 81 -17.196 -11.520 0.254 1.00 0.00 C ATOM 1291 O TRP A 81 -18.291 -11.903 -0.160 1.00 0.00 O ATOM 1292 CB TRP A 81 -16.133 -9.905 -1.215 1.00 0.00 C ATOM 1293 CG TRP A 81 -15.487 -8.604 -1.538 1.00 0.00 C ATOM 1294 CD1 TRP A 81 -15.967 -7.347 -1.320 1.00 0.00 C ATOM 1295 CD2 TRP A 81 -14.245 -8.455 -2.227 1.00 0.00 C ATOM 1296 NE1 TRP A 81 -15.074 -6.418 -1.804 1.00 0.00 N ATOM 1297 CE2 TRP A 81 -14.013 -7.075 -2.374 1.00 0.00 C ATOM 1298 CE3 TRP A 81 -13.298 -9.366 -2.727 1.00 0.00 C ATOM 1299 CZ2 TRP A 81 -12.874 -6.574 -3.004 1.00 0.00 C ATOM 1300 CZ3 TRP A 81 -12.175 -8.866 -3.352 1.00 0.00 C ATOM 1301 CH2 TRP A 81 -11.971 -7.483 -3.488 1.00 0.00 C ATOM 0 H TRP A 81 -14.904 -9.796 1.037 1.00 0.00 H new ATOM 0 HA TRP A 81 -17.657 -9.388 0.257 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -15.378 -10.686 -1.306 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -16.889 -10.102 -1.975 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -16.906 -7.115 -0.840 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -15.183 -5.405 -1.748 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -13.446 -10.431 -2.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -12.711 -5.511 -3.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -11.438 -9.551 -3.744 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -11.081 -7.128 -3.986 1.00 0.00 H new ATOM 1312 N TYR A 82 -16.308 -12.346 0.785 1.00 0.00 N ATOM 1313 CA TYR A 82 -16.480 -13.788 0.675 1.00 0.00 C ATOM 1314 C TYR A 82 -16.375 -14.460 2.057 1.00 0.00 C ATOM 1315 O TYR A 82 -15.874 -13.857 2.990 1.00 0.00 O ATOM 1316 CB TYR A 82 -15.374 -14.358 -0.216 1.00 0.00 C ATOM 1317 CG TYR A 82 -15.089 -13.645 -1.536 1.00 0.00 C ATOM 1318 CD1 TYR A 82 -16.051 -13.474 -2.519 1.00 0.00 C ATOM 1319 CD2 TYR A 82 -13.819 -13.200 -1.805 1.00 0.00 C ATOM 1320 CE1 TYR A 82 -15.739 -12.881 -3.720 1.00 0.00 C ATOM 1321 CE2 TYR A 82 -13.503 -12.604 -2.987 1.00 0.00 C ATOM 1322 CZ TYR A 82 -14.461 -12.445 -3.946 1.00 0.00 C ATOM 1323 OH TYR A 82 -14.135 -11.854 -5.147 1.00 0.00 O ATOM 0 H TYR A 82 -15.472 -12.050 1.289 1.00 0.00 H new ATOM 0 HA TYR A 82 -17.465 -13.985 0.252 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -14.451 -14.373 0.363 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -15.626 -15.394 -0.442 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -17.061 -13.812 -2.339 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.049 -13.326 -1.058 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -16.497 -12.760 -4.480 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -12.496 -12.257 -3.166 1.00 0.00 H new ATOM 0 HH TYR A 82 -13.782 -10.954 -4.984 1.00 0.00 H new TER 1333 TYR A 82