USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 811 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 111 SER OG : rot 180:sc= -0.174 USER MOD Set 1.2: A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.889 K(o=-0.89,f=-1.4!) USER MOD Single : A 25 ASN : amide:sc= -0.324 K(o=-0.32,f=-7!) USER MOD Single : A 27 THR OG1 : rot 45:sc= 0.0638 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0158) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -1.76 K(o=-1.8,f=-0.62) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -160:sc= -0.169 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.849 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= -0.685 (180deg=-0.685) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.125 K(o=-0.13,f=-0.68) USER MOD Single : A 83 SER OG : rot -170:sc= -1.77 USER MOD Single : A 92 GLN : amide:sc= 0.0233 K(o=0.023,f=-1.8!) USER MOD Single : A 100 GLN : amide:sc= -1.73 K(o=-1.7,f=-8.7!) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -0.158 K(o=-0.16,f=-0.84) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 LYS NZ :NH3+ -120:sc= 0.0749 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= -2.66 K(o=-2.7,f=-6.6!) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -0.917 K(o=-0.92,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 21 3.263 1.247 -16.320 1.00 0.00 N ATOM 2 CA ALA A 21 3.635 -0.055 -16.925 1.00 0.00 C ATOM 3 C ALA A 21 4.645 -0.797 -16.059 1.00 0.00 C ATOM 4 O ALA A 21 5.649 -0.227 -15.630 1.00 0.00 O ATOM 5 CB ALA A 21 4.196 0.162 -18.322 1.00 0.00 C ATOM 0 HA ALA A 21 2.737 -0.669 -16.992 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.467 -0.799 -18.759 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.443 0.645 -18.945 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.081 0.796 -18.264 1.00 0.00 H new ATOM 13 N MET A 22 4.374 -2.073 -15.812 1.00 0.00 N ATOM 14 CA MET A 22 5.260 -2.895 -14.996 1.00 0.00 C ATOM 15 C MET A 22 5.400 -2.313 -13.585 1.00 0.00 C ATOM 16 O MET A 22 4.880 -1.236 -13.294 1.00 0.00 O ATOM 17 CB MET A 22 6.636 -3.007 -15.647 1.00 0.00 C ATOM 18 CG MET A 22 6.658 -3.922 -16.861 1.00 0.00 C ATOM 19 SD MET A 22 7.599 -5.434 -16.588 1.00 0.00 S ATOM 20 CE MET A 22 6.621 -6.619 -17.508 1.00 0.00 C ATOM 0 H MET A 22 3.550 -2.560 -16.164 1.00 0.00 H new ATOM 0 HA MET A 22 4.820 -3.889 -14.921 1.00 0.00 H new ATOM 0 HB2 MET A 22 6.971 -2.013 -15.944 1.00 0.00 H new ATOM 0 HB3 MET A 22 7.349 -3.376 -14.910 1.00 0.00 H new ATOM 0 HG2 MET A 22 5.635 -4.182 -17.132 1.00 0.00 H new ATOM 0 HG3 MET A 22 7.084 -3.383 -17.707 1.00 0.00 H new ATOM 0 HE1 MET A 22 7.079 -7.605 -17.433 1.00 0.00 H new ATOM 0 HE2 MET A 22 5.612 -6.655 -17.097 1.00 0.00 H new ATOM 0 HE3 MET A 22 6.576 -6.319 -18.555 1.00 0.00 H new ATOM 30 N ALA A 23 6.105 -3.035 -12.719 1.00 0.00 N ATOM 31 CA ALA A 23 6.312 -2.589 -11.346 1.00 0.00 C ATOM 32 C ALA A 23 7.086 -1.275 -11.305 1.00 0.00 C ATOM 33 O ALA A 23 7.331 -0.656 -12.348 1.00 0.00 O ATOM 34 CB ALA A 23 7.040 -3.659 -10.556 1.00 0.00 C ATOM 0 H ALA A 23 6.541 -3.929 -12.943 1.00 0.00 H new ATOM 0 HA ALA A 23 5.336 -2.416 -10.892 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.190 -3.317 -9.532 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.447 -4.573 -10.550 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.007 -3.857 -11.018 1.00 0.00 H new ATOM 40 N GLN A 24 7.469 -0.856 -10.103 1.00 0.00 N ATOM 41 CA GLN A 24 8.215 0.384 -9.929 1.00 0.00 C ATOM 42 C GLN A 24 9.314 0.216 -8.892 1.00 0.00 C ATOM 43 O GLN A 24 9.260 -0.690 -8.053 1.00 0.00 O ATOM 44 CB GLN A 24 7.274 1.519 -9.519 1.00 0.00 C ATOM 45 CG GLN A 24 6.151 1.765 -10.514 1.00 0.00 C ATOM 46 CD GLN A 24 6.658 2.267 -11.851 1.00 0.00 C ATOM 47 OE1 GLN A 24 6.450 1.632 -12.885 1.00 0.00 O ATOM 48 NE2 GLN A 24 7.328 3.414 -11.839 1.00 0.00 N ATOM 0 H GLN A 24 7.275 -1.357 -9.236 1.00 0.00 H new ATOM 0 HA GLN A 24 8.679 0.636 -10.883 1.00 0.00 H new ATOM 0 HB2 GLN A 24 6.842 1.288 -8.545 1.00 0.00 H new ATOM 0 HB3 GLN A 24 7.852 2.435 -9.402 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.595 0.840 -10.664 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.454 2.492 -10.097 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.478 3.908 -10.959 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.693 3.801 -12.710 1.00 0.00 H new ATOM 57 N ASN A 25 10.310 1.095 -8.933 1.00 0.00 N ATOM 58 CA ASN A 25 11.422 1.042 -7.991 1.00 0.00 C ATOM 59 C ASN A 25 11.678 2.413 -7.373 1.00 0.00 C ATOM 60 O ASN A 25 12.359 3.253 -7.961 1.00 0.00 O ATOM 61 CB ASN A 25 12.687 0.539 -8.689 1.00 0.00 C ATOM 62 CG ASN A 25 13.004 1.325 -9.947 1.00 0.00 C ATOM 63 OD1 ASN A 25 12.176 2.088 -10.443 1.00 0.00 O ATOM 64 ND2 ASN A 25 14.212 1.141 -10.469 1.00 0.00 N ATOM 0 H ASN A 25 10.370 1.855 -9.611 1.00 0.00 H new ATOM 0 HA ASN A 25 11.156 0.348 -7.193 1.00 0.00 H new ATOM 0 HB2 ASN A 25 13.529 0.605 -8.000 1.00 0.00 H new ATOM 0 HB3 ASN A 25 12.565 -0.514 -8.943 1.00 0.00 H new ATOM 0 HD21 ASN A 25 14.484 1.643 -11.314 1.00 0.00 H new ATOM 0 HD22 ASN A 25 14.867 0.498 -10.024 1.00 0.00 H new ATOM 71 N ILE A 26 11.128 2.630 -6.183 1.00 0.00 N ATOM 72 CA ILE A 26 11.296 3.899 -5.482 1.00 0.00 C ATOM 73 C ILE A 26 12.286 3.759 -4.331 1.00 0.00 C ATOM 74 O ILE A 26 12.258 2.777 -3.591 1.00 0.00 O ATOM 75 CB ILE A 26 9.955 4.422 -4.933 1.00 0.00 C ATOM 76 CG1 ILE A 26 8.891 4.425 -6.033 1.00 0.00 C ATOM 77 CG2 ILE A 26 10.127 5.819 -4.354 1.00 0.00 C ATOM 78 CD1 ILE A 26 7.535 3.946 -5.563 1.00 0.00 C ATOM 0 H ILE A 26 10.562 1.944 -5.683 1.00 0.00 H new ATOM 0 HA ILE A 26 11.683 4.614 -6.208 1.00 0.00 H new ATOM 0 HB ILE A 26 9.624 3.756 -4.136 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.793 5.435 -6.430 1.00 0.00 H new ATOM 0 HG13 ILE A 26 9.227 3.791 -6.854 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.171 6.174 -3.970 1.00 0.00 H new ATOM 0 HG22 ILE A 26 10.855 5.790 -3.543 1.00 0.00 H new ATOM 0 HG23 ILE A 26 10.479 6.495 -5.133 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.831 3.975 -6.394 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.618 2.924 -5.193 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.178 4.594 -4.762 1.00 0.00 H new ATOM 90 N THR A 27 13.162 4.747 -4.196 1.00 0.00 N ATOM 91 CA THR A 27 14.164 4.733 -3.127 1.00 0.00 C ATOM 92 C THR A 27 13.754 5.641 -1.980 1.00 0.00 C ATOM 93 O THR A 27 13.667 6.859 -2.127 1.00 0.00 O ATOM 94 CB THR A 27 15.524 5.168 -3.675 1.00 0.00 C ATOM 95 OG1 THR A 27 15.386 6.294 -4.523 1.00 0.00 O ATOM 96 CG2 THR A 27 16.226 4.083 -4.463 1.00 0.00 C ATOM 0 H THR A 27 13.203 5.564 -4.806 1.00 0.00 H new ATOM 0 HA THR A 27 14.238 3.714 -2.747 1.00 0.00 H new ATOM 0 HB THR A 27 16.126 5.406 -2.798 1.00 0.00 H new ATOM 0 HG1 THR A 27 14.790 6.949 -4.103 1.00 0.00 H new ATOM 0 HG21 THR A 27 17.184 4.457 -4.823 1.00 0.00 H new ATOM 0 HG22 THR A 27 16.392 3.217 -3.822 1.00 0.00 H new ATOM 0 HG23 THR A 27 15.608 3.792 -5.312 1.00 0.00 H new ATOM 104 N ALA A 28 13.504 5.038 -0.824 1.00 0.00 N ATOM 105 CA ALA A 28 13.105 5.786 0.355 1.00 0.00 C ATOM 106 C ALA A 28 14.164 5.687 1.456 1.00 0.00 C ATOM 107 O ALA A 28 15.025 4.807 1.415 1.00 0.00 O ATOM 108 CB ALA A 28 11.764 5.282 0.870 1.00 0.00 C ATOM 0 H ALA A 28 13.572 4.030 -0.681 1.00 0.00 H new ATOM 0 HA ALA A 28 13.006 6.834 0.072 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.477 5.851 1.754 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.007 5.407 0.096 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.847 4.227 1.129 1.00 0.00 H new ATOM 114 N ARG A 29 14.098 6.596 2.424 1.00 0.00 N ATOM 115 CA ARG A 29 15.054 6.611 3.518 1.00 0.00 C ATOM 116 C ARG A 29 14.436 6.028 4.796 1.00 0.00 C ATOM 117 O ARG A 29 13.273 6.283 5.097 1.00 0.00 O ATOM 118 CB ARG A 29 15.538 8.038 3.788 1.00 0.00 C ATOM 119 CG ARG A 29 16.551 8.141 4.909 1.00 0.00 C ATOM 120 CD ARG A 29 15.927 8.733 6.163 1.00 0.00 C ATOM 121 NE ARG A 29 16.821 8.640 7.324 1.00 0.00 N ATOM 122 CZ ARG A 29 17.903 9.396 7.478 1.00 0.00 C ATOM 123 NH1 ARG A 29 18.231 10.302 6.572 1.00 0.00 N ATOM 124 NH2 ARG A 29 18.660 9.249 8.557 1.00 0.00 N ATOM 0 H ARG A 29 13.391 7.330 2.470 1.00 0.00 H new ATOM 0 HA ARG A 29 15.903 5.993 3.226 1.00 0.00 H new ATOM 0 HB2 ARG A 29 15.978 8.441 2.876 1.00 0.00 H new ATOM 0 HB3 ARG A 29 14.678 8.663 4.030 1.00 0.00 H new ATOM 0 HG2 ARG A 29 16.952 7.152 5.132 1.00 0.00 H new ATOM 0 HG3 ARG A 29 17.389 8.761 4.589 1.00 0.00 H new ATOM 0 HD2 ARG A 29 15.676 9.778 5.983 1.00 0.00 H new ATOM 0 HD3 ARG A 29 14.994 8.214 6.382 1.00 0.00 H new ATOM 0 HE ARG A 29 16.600 7.959 8.051 1.00 0.00 H new ATOM 0 HH11 ARG A 29 17.651 10.427 5.743 1.00 0.00 H new ATOM 0 HH12 ARG A 29 19.064 10.876 6.703 1.00 0.00 H new ATOM 0 HH21 ARG A 29 18.411 8.558 9.265 1.00 0.00 H new ATOM 0 HH22 ARG A 29 19.491 9.827 8.679 1.00 0.00 H new ATOM 138 N ILE A 30 15.225 5.245 5.518 1.00 0.00 N ATOM 139 CA ILE A 30 14.756 4.624 6.755 1.00 0.00 C ATOM 140 C ILE A 30 14.365 5.672 7.793 1.00 0.00 C ATOM 141 O ILE A 30 15.116 6.611 8.064 1.00 0.00 O ATOM 142 CB ILE A 30 15.816 3.684 7.373 1.00 0.00 C ATOM 143 CG1 ILE A 30 17.228 4.239 7.165 1.00 0.00 C ATOM 144 CG2 ILE A 30 15.699 2.287 6.792 1.00 0.00 C ATOM 145 CD1 ILE A 30 18.119 4.094 8.379 1.00 0.00 C ATOM 0 H ILE A 30 16.190 5.023 5.272 1.00 0.00 H new ATOM 0 HA ILE A 30 13.880 4.036 6.482 1.00 0.00 H new ATOM 0 HB ILE A 30 15.630 3.626 8.445 1.00 0.00 H new ATOM 0 HG12 ILE A 30 17.691 3.726 6.322 1.00 0.00 H new ATOM 0 HG13 ILE A 30 17.160 5.294 6.898 1.00 0.00 H new ATOM 0 HG21 ILE A 30 16.454 1.642 7.241 1.00 0.00 H new ATOM 0 HG22 ILE A 30 14.708 1.887 7.004 1.00 0.00 H new ATOM 0 HG23 ILE A 30 15.851 2.328 5.713 1.00 0.00 H new ATOM 0 HD11 ILE A 30 19.103 4.508 8.160 1.00 0.00 H new ATOM 0 HD12 ILE A 30 17.679 4.630 9.220 1.00 0.00 H new ATOM 0 HD13 ILE A 30 18.218 3.039 8.634 1.00 0.00 H new ATOM 157 N GLY A 31 13.187 5.497 8.385 1.00 0.00 N ATOM 158 CA GLY A 31 12.716 6.426 9.404 1.00 0.00 C ATOM 159 C GLY A 31 12.197 7.731 8.824 1.00 0.00 C ATOM 160 O GLY A 31 11.816 8.634 9.568 1.00 0.00 O ATOM 0 H GLY A 31 12.548 4.729 8.179 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.923 5.951 9.982 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.530 6.641 10.096 1.00 0.00 H new ATOM 164 N GLU A 32 12.182 7.836 7.491 1.00 0.00 N ATOM 165 CA GLU A 32 11.704 9.047 6.840 1.00 0.00 C ATOM 166 C GLU A 32 10.247 8.895 6.404 1.00 0.00 C ATOM 167 O GLU A 32 9.878 7.886 5.795 1.00 0.00 O ATOM 168 CB GLU A 32 12.578 9.372 5.619 1.00 0.00 C ATOM 169 CG GLU A 32 12.140 10.619 4.876 1.00 0.00 C ATOM 170 CD GLU A 32 13.050 11.804 5.132 1.00 0.00 C ATOM 171 OE1 GLU A 32 13.549 11.935 6.262 1.00 0.00 O ATOM 172 OE2 GLU A 32 13.266 12.601 4.186 1.00 0.00 O ATOM 0 H GLU A 32 12.493 7.103 6.853 1.00 0.00 H new ATOM 0 HA GLU A 32 11.768 9.864 7.558 1.00 0.00 H new ATOM 0 HB2 GLU A 32 13.611 9.497 5.944 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.560 8.525 4.933 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.115 10.410 3.807 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.123 10.876 5.174 1.00 0.00 H new ATOM 179 N PRO A 33 9.394 9.896 6.696 1.00 0.00 N ATOM 180 CA PRO A 33 7.977 9.856 6.311 1.00 0.00 C ATOM 181 C PRO A 33 7.790 9.913 4.798 1.00 0.00 C ATOM 182 O PRO A 33 8.477 10.664 4.116 1.00 0.00 O ATOM 183 CB PRO A 33 7.380 11.111 6.967 1.00 0.00 C ATOM 184 CG PRO A 33 8.406 11.577 7.945 1.00 0.00 C ATOM 185 CD PRO A 33 9.732 11.138 7.397 1.00 0.00 C ATOM 0 HA PRO A 33 7.500 8.929 6.629 1.00 0.00 H new ATOM 0 HB2 PRO A 33 7.169 11.880 6.224 1.00 0.00 H new ATOM 0 HB3 PRO A 33 6.438 10.883 7.466 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.371 12.660 8.060 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.229 11.146 8.930 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.158 11.881 6.723 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.462 10.971 8.189 1.00 0.00 H new ATOM 193 N LEU A 34 6.859 9.114 4.287 1.00 0.00 N ATOM 194 CA LEU A 34 6.589 9.078 2.853 1.00 0.00 C ATOM 195 C LEU A 34 5.091 8.994 2.579 1.00 0.00 C ATOM 196 O LEU A 34 4.361 8.289 3.284 1.00 0.00 O ATOM 197 CB LEU A 34 7.305 7.890 2.216 1.00 0.00 C ATOM 198 CG LEU A 34 8.699 8.194 1.654 1.00 0.00 C ATOM 199 CD1 LEU A 34 8.647 9.372 0.693 1.00 0.00 C ATOM 200 CD2 LEU A 34 9.675 8.470 2.790 1.00 0.00 C ATOM 0 H LEU A 34 6.280 8.484 4.842 1.00 0.00 H new ATOM 0 HA LEU A 34 6.964 10.002 2.413 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.395 7.099 2.960 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.683 7.500 1.410 1.00 0.00 H new ATOM 0 HG LEU A 34 9.047 7.322 1.101 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.647 9.570 0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.978 9.137 -0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.279 10.254 1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.661 8.684 2.378 1.00 0.00 H new ATOM 0 HD22 LEU A 34 9.328 9.327 3.367 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.735 7.596 3.439 1.00 0.00 H new ATOM 212 N VAL A 35 4.640 9.714 1.564 1.00 0.00 N ATOM 213 CA VAL A 35 3.231 9.717 1.186 1.00 0.00 C ATOM 214 C VAL A 35 3.052 9.370 -0.273 1.00 0.00 C ATOM 215 O VAL A 35 3.780 9.869 -1.130 1.00 0.00 O ATOM 216 CB VAL A 35 2.574 11.085 1.472 1.00 0.00 C ATOM 217 CG1 VAL A 35 1.074 11.018 1.232 1.00 0.00 C ATOM 218 CG2 VAL A 35 2.872 11.543 2.892 1.00 0.00 C ATOM 0 H VAL A 35 5.231 10.308 0.983 1.00 0.00 H new ATOM 0 HA VAL A 35 2.740 8.956 1.793 1.00 0.00 H new ATOM 0 HB VAL A 35 2.999 11.817 0.785 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.629 11.991 1.439 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.883 10.745 0.194 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.633 10.270 1.891 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.399 12.509 3.070 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.481 10.812 3.600 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.950 11.637 3.025 1.00 0.00 H new ATOM 228 N LEU A 36 2.080 8.510 -0.561 1.00 0.00 N ATOM 229 CA LEU A 36 1.808 8.095 -1.934 1.00 0.00 C ATOM 230 C LEU A 36 0.307 8.021 -2.197 1.00 0.00 C ATOM 231 O LEU A 36 -0.454 7.516 -1.380 1.00 0.00 O ATOM 232 CB LEU A 36 2.457 6.740 -2.217 1.00 0.00 C ATOM 233 CG LEU A 36 3.573 6.763 -3.263 1.00 0.00 C ATOM 234 CD1 LEU A 36 4.060 5.351 -3.553 1.00 0.00 C ATOM 235 CD2 LEU A 36 3.093 7.434 -4.541 1.00 0.00 C ATOM 0 H LEU A 36 1.468 8.087 0.137 1.00 0.00 H new ATOM 0 HA LEU A 36 2.236 8.842 -2.603 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.862 6.346 -1.285 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.684 6.046 -2.547 1.00 0.00 H new ATOM 0 HG LEU A 36 4.407 7.340 -2.864 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.854 5.386 -4.299 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.443 4.903 -2.636 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.232 4.751 -3.932 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.900 7.441 -5.273 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.243 6.884 -4.944 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.792 8.459 -4.323 1.00 0.00 H new ATOM 247 N LYS A 37 -0.110 8.528 -3.360 1.00 0.00 N ATOM 248 CA LYS A 37 -1.520 8.519 -3.736 1.00 0.00 C ATOM 249 C LYS A 37 -1.816 7.391 -4.711 1.00 0.00 C ATOM 250 O LYS A 37 -1.271 7.357 -5.814 1.00 0.00 O ATOM 251 CB LYS A 37 -1.913 9.862 -4.346 1.00 0.00 C ATOM 252 CG LYS A 37 -1.918 11.013 -3.360 1.00 0.00 C ATOM 253 CD LYS A 37 -0.511 11.520 -3.078 1.00 0.00 C ATOM 254 CE LYS A 37 -0.467 13.038 -3.014 1.00 0.00 C ATOM 255 NZ LYS A 37 -0.138 13.639 -4.344 1.00 0.00 N ATOM 0 H LYS A 37 0.509 8.948 -4.053 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.111 8.354 -2.835 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.224 10.096 -5.157 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.906 9.772 -4.787 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.526 11.827 -3.755 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.382 10.691 -2.428 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.156 11.105 -2.135 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.166 11.168 -3.856 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.431 13.416 -2.672 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.276 13.350 -2.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.117 14.675 -4.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.793 13.298 -4.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.861 13.362 -5.039 1.00 0.00 H new ATOM 269 N CYS A 38 -2.686 6.471 -4.305 1.00 0.00 N ATOM 270 CA CYS A 38 -3.058 5.344 -5.160 1.00 0.00 C ATOM 271 C CYS A 38 -4.476 5.515 -5.696 1.00 0.00 C ATOM 272 O CYS A 38 -5.440 5.045 -5.085 1.00 0.00 O ATOM 273 CB CYS A 38 -2.951 4.033 -4.371 1.00 0.00 C ATOM 274 SG CYS A 38 -2.412 2.611 -5.375 1.00 0.00 S ATOM 0 H CYS A 38 -3.146 6.481 -3.394 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.372 5.312 -6.007 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.250 4.171 -3.548 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.921 3.806 -3.928 1.00 0.00 H new ATOM 279 N LYS A 39 -4.594 6.195 -6.826 1.00 0.00 N ATOM 280 CA LYS A 39 -5.893 6.431 -7.443 1.00 0.00 C ATOM 281 C LYS A 39 -6.599 5.116 -7.764 1.00 0.00 C ATOM 282 O LYS A 39 -6.070 4.036 -7.491 1.00 0.00 O ATOM 283 CB LYS A 39 -5.731 7.255 -8.722 1.00 0.00 C ATOM 284 CG LYS A 39 -4.965 6.532 -9.819 1.00 0.00 C ATOM 285 CD LYS A 39 -5.866 6.181 -10.994 1.00 0.00 C ATOM 286 CE LYS A 39 -6.318 4.728 -10.948 1.00 0.00 C ATOM 287 NZ LYS A 39 -5.802 3.937 -12.100 1.00 0.00 N ATOM 0 H LYS A 39 -3.806 6.594 -7.336 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.504 6.985 -6.731 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.718 7.526 -9.097 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.215 8.185 -8.482 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.144 7.160 -10.164 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.522 5.622 -9.415 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.739 6.833 -10.989 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.334 6.367 -11.927 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.978 4.274 -10.017 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.407 4.689 -10.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.136 2.955 -12.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.147 4.353 -12.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.762 3.950 -12.092 1.00 0.00 H new ATOM 301 N GLY A 40 -7.798 5.215 -8.322 1.00 0.00 N ATOM 302 CA GLY A 40 -8.559 4.027 -8.663 1.00 0.00 C ATOM 303 C GLY A 40 -9.985 4.351 -9.063 1.00 0.00 C ATOM 304 O GLY A 40 -10.240 4.774 -10.190 1.00 0.00 O ATOM 0 H GLY A 40 -8.259 6.097 -8.545 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.064 3.504 -9.482 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.569 3.348 -7.811 1.00 0.00 H new ATOM 308 N ALA A 41 -10.917 4.151 -8.137 1.00 0.00 N ATOM 309 CA ALA A 41 -12.324 4.424 -8.397 1.00 0.00 C ATOM 310 C ALA A 41 -12.569 5.920 -8.581 1.00 0.00 C ATOM 311 O ALA A 41 -11.757 6.746 -8.165 1.00 0.00 O ATOM 312 CB ALA A 41 -13.184 3.880 -7.267 1.00 0.00 C ATOM 0 H ALA A 41 -10.722 3.800 -7.199 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.602 3.921 -9.324 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -14.233 4.091 -7.474 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -13.040 2.803 -7.186 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.897 4.356 -6.329 1.00 0.00 H new ATOM 318 N PRO A 42 -13.698 6.288 -9.210 1.00 0.00 N ATOM 319 CA PRO A 42 -14.048 7.692 -9.447 1.00 0.00 C ATOM 320 C PRO A 42 -13.984 8.527 -8.173 1.00 0.00 C ATOM 321 O PRO A 42 -13.694 8.011 -7.094 1.00 0.00 O ATOM 322 CB PRO A 42 -15.485 7.620 -9.967 1.00 0.00 C ATOM 323 CG PRO A 42 -15.606 6.260 -10.562 1.00 0.00 C ATOM 324 CD PRO A 42 -14.722 5.365 -9.738 1.00 0.00 C ATOM 0 HA PRO A 42 -13.356 8.172 -10.138 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -16.205 7.765 -9.162 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -15.677 8.395 -10.709 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -16.640 5.915 -10.539 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -15.294 6.262 -11.606 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -15.278 4.880 -8.936 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -14.277 4.574 -10.341 1.00 0.00 H new ATOM 332 N LYS A 43 -14.261 9.820 -8.305 1.00 0.00 N ATOM 333 CA LYS A 43 -14.238 10.728 -7.163 1.00 0.00 C ATOM 334 C LYS A 43 -15.272 10.320 -6.124 1.00 0.00 C ATOM 335 O LYS A 43 -15.186 10.727 -4.964 1.00 0.00 O ATOM 336 CB LYS A 43 -14.499 12.164 -7.623 1.00 0.00 C ATOM 337 CG LYS A 43 -13.654 13.199 -6.904 1.00 0.00 C ATOM 338 CD LYS A 43 -13.332 14.384 -7.793 1.00 0.00 C ATOM 339 CE LYS A 43 -14.484 15.374 -7.841 1.00 0.00 C ATOM 340 NZ LYS A 43 -15.426 15.079 -8.957 1.00 0.00 N ATOM 0 H LYS A 43 -14.504 10.263 -9.191 1.00 0.00 H new ATOM 0 HA LYS A 43 -13.250 10.673 -6.706 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -14.309 12.233 -8.694 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -15.552 12.399 -7.471 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -14.182 13.545 -6.016 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.727 12.738 -6.564 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.436 14.884 -7.424 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.109 14.034 -8.801 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.024 15.349 -6.894 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.090 16.384 -7.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -16.149 15.825 -9.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.901 15.045 -9.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -15.886 14.161 -8.790 1.00 0.00 H new ATOM 354 N LYS A 44 -16.246 9.515 -6.530 1.00 0.00 N ATOM 355 CA LYS A 44 -17.295 9.054 -5.627 1.00 0.00 C ATOM 356 C LYS A 44 -16.703 8.321 -4.425 1.00 0.00 C ATOM 357 O LYS A 44 -15.584 7.812 -4.496 1.00 0.00 O ATOM 358 CB LYS A 44 -18.265 8.134 -6.371 1.00 0.00 C ATOM 359 CG LYS A 44 -19.172 8.866 -7.347 1.00 0.00 C ATOM 360 CD LYS A 44 -20.276 7.961 -7.871 1.00 0.00 C ATOM 361 CE LYS A 44 -20.007 7.524 -9.302 1.00 0.00 C ATOM 362 NZ LYS A 44 -19.115 6.333 -9.362 1.00 0.00 N ATOM 0 H LYS A 44 -16.332 9.166 -7.484 1.00 0.00 H new ATOM 0 HA LYS A 44 -17.835 9.928 -5.263 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -17.694 7.381 -6.914 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -18.880 7.604 -5.644 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -19.614 9.732 -6.854 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -18.581 9.241 -8.182 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -20.362 7.083 -7.231 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -21.231 8.485 -7.823 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -20.952 7.295 -9.795 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -19.551 8.347 -9.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -18.957 6.068 -10.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -18.204 6.559 -8.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -19.561 5.540 -8.858 1.00 0.00 H new ATOM 376 N PRO A 45 -17.451 8.258 -3.310 1.00 0.00 N ATOM 377 CA PRO A 45 -16.997 7.583 -2.089 1.00 0.00 C ATOM 378 C PRO A 45 -16.708 6.099 -2.321 1.00 0.00 C ATOM 379 O PRO A 45 -17.526 5.387 -2.905 1.00 0.00 O ATOM 380 CB PRO A 45 -18.172 7.751 -1.117 1.00 0.00 C ATOM 381 CG PRO A 45 -19.346 8.084 -1.975 1.00 0.00 C ATOM 382 CD PRO A 45 -18.795 8.836 -3.151 1.00 0.00 C ATOM 0 HA PRO A 45 -16.062 8.005 -1.720 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -18.346 6.837 -0.549 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -17.975 8.543 -0.395 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -19.864 7.180 -2.297 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -20.070 8.689 -1.429 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -19.404 8.693 -4.043 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -18.754 9.909 -2.961 1.00 0.00 H new ATOM 390 N PRO A 46 -15.538 5.610 -1.876 1.00 0.00 N ATOM 391 CA PRO A 46 -15.156 4.204 -2.035 1.00 0.00 C ATOM 392 C PRO A 46 -16.194 3.247 -1.459 1.00 0.00 C ATOM 393 O PRO A 46 -16.810 3.528 -0.430 1.00 0.00 O ATOM 394 CB PRO A 46 -13.841 4.091 -1.264 1.00 0.00 C ATOM 395 CG PRO A 46 -13.303 5.479 -1.211 1.00 0.00 C ATOM 396 CD PRO A 46 -14.501 6.383 -1.162 1.00 0.00 C ATOM 0 HA PRO A 46 -15.070 3.930 -3.087 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.004 3.693 -0.263 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -13.146 3.418 -1.766 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -12.671 5.620 -0.334 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -12.688 5.693 -2.085 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -14.798 6.603 -0.136 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -14.305 7.338 -1.649 1.00 0.00 H new ATOM 404 N GLN A 47 -16.384 2.114 -2.129 1.00 0.00 N ATOM 405 CA GLN A 47 -17.346 1.113 -1.683 1.00 0.00 C ATOM 406 C GLN A 47 -16.636 -0.129 -1.160 1.00 0.00 C ATOM 407 O GLN A 47 -17.184 -0.868 -0.334 1.00 0.00 O ATOM 408 CB GLN A 47 -18.285 0.731 -2.830 1.00 0.00 C ATOM 409 CG GLN A 47 -19.709 1.231 -2.643 1.00 0.00 C ATOM 410 CD GLN A 47 -20.712 0.101 -2.516 1.00 0.00 C ATOM 411 OE1 GLN A 47 -21.576 0.124 -1.640 1.00 0.00 O ATOM 412 NE2 GLN A 47 -20.600 -0.896 -3.378 1.00 0.00 N ATOM 0 H GLN A 47 -15.884 1.867 -2.983 1.00 0.00 H new ATOM 0 HA GLN A 47 -17.931 1.545 -0.871 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -17.888 1.132 -3.763 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -18.300 -0.354 -2.930 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -19.756 1.856 -1.751 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -19.983 1.861 -3.489 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -19.869 -0.876 -4.089 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -21.245 -1.685 -3.332 1.00 0.00 H new ATOM 421 N ARG A 48 -15.416 -0.349 -1.622 1.00 0.00 N ATOM 422 CA ARG A 48 -14.624 -1.497 -1.198 1.00 0.00 C ATOM 423 C ARG A 48 -13.155 -1.302 -1.559 1.00 0.00 C ATOM 424 O ARG A 48 -12.834 -0.685 -2.575 1.00 0.00 O ATOM 425 CB ARG A 48 -15.157 -2.777 -1.845 1.00 0.00 C ATOM 426 CG ARG A 48 -15.270 -3.946 -0.879 1.00 0.00 C ATOM 427 CD ARG A 48 -15.207 -5.279 -1.607 1.00 0.00 C ATOM 428 NE ARG A 48 -13.902 -5.920 -1.467 1.00 0.00 N ATOM 429 CZ ARG A 48 -13.520 -6.596 -0.386 1.00 0.00 C ATOM 430 NH1 ARG A 48 -14.339 -6.720 0.635 1.00 0.00 N ATOM 431 NH2 ARG A 48 -12.316 -7.149 -0.341 1.00 0.00 N ATOM 0 H ARG A 48 -14.948 0.256 -2.296 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.705 -1.587 -0.115 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -16.138 -2.576 -2.275 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -14.500 -3.059 -2.668 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -14.465 -3.892 -0.146 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -16.208 -3.875 -0.328 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -15.980 -5.942 -1.217 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -15.423 -5.125 -2.664 1.00 0.00 H new ATOM 0 HE ARG A 48 -13.245 -5.845 -2.243 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -15.267 -6.298 0.599 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -14.046 -7.238 1.464 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -11.682 -7.056 -1.135 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -12.023 -7.667 0.488 1.00 0.00 H new ATOM 445 N LEU A 49 -12.268 -1.828 -0.723 1.00 0.00 N ATOM 446 CA LEU A 49 -10.834 -1.707 -0.968 1.00 0.00 C ATOM 447 C LEU A 49 -10.060 -2.787 -0.213 1.00 0.00 C ATOM 448 O LEU A 49 -10.428 -3.178 0.879 1.00 0.00 O ATOM 449 CB LEU A 49 -10.343 -0.322 -0.533 1.00 0.00 C ATOM 450 CG LEU A 49 -8.835 -0.097 -0.679 1.00 0.00 C ATOM 451 CD1 LEU A 49 -8.548 1.326 -1.134 1.00 0.00 C ATOM 452 CD2 LEU A 49 -8.125 -0.391 0.618 1.00 0.00 C ATOM 0 H LEU A 49 -12.513 -2.339 0.125 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.658 -1.836 -2.036 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -10.867 0.434 -1.119 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -10.620 -0.165 0.510 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.459 -0.783 -1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.472 1.467 -1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.026 1.503 -2.097 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.940 2.029 -0.399 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.055 -0.225 0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.506 0.268 1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.300 -1.429 0.902 1.00 0.00 H new ATOM 464 N GLU A 50 -8.979 -3.259 -0.826 1.00 0.00 N ATOM 465 CA GLU A 50 -8.142 -4.290 -0.223 1.00 0.00 C ATOM 466 C GLU A 50 -6.675 -4.052 -0.563 1.00 0.00 C ATOM 467 O GLU A 50 -6.335 -3.755 -1.707 1.00 0.00 O ATOM 468 CB GLU A 50 -8.575 -5.677 -0.705 1.00 0.00 C ATOM 469 CG GLU A 50 -8.383 -5.891 -2.197 1.00 0.00 C ATOM 470 CD GLU A 50 -9.225 -7.031 -2.744 1.00 0.00 C ATOM 471 OE1 GLU A 50 -9.043 -8.175 -2.267 1.00 0.00 O ATOM 472 OE2 GLU A 50 -10.065 -6.782 -3.625 1.00 0.00 O ATOM 0 H GLU A 50 -8.662 -2.943 -1.742 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.262 -4.241 0.859 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.009 -6.434 -0.162 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.626 -5.827 -0.457 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.636 -4.972 -2.726 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.331 -6.094 -2.397 1.00 0.00 H new ATOM 479 N TRP A 51 -5.810 -4.178 0.422 1.00 0.00 N ATOM 480 CA TRP A 51 -4.381 -3.969 0.222 1.00 0.00 C ATOM 481 C TRP A 51 -3.644 -5.294 0.067 1.00 0.00 C ATOM 482 O TRP A 51 -3.941 -6.268 0.761 1.00 0.00 O ATOM 483 CB TRP A 51 -3.790 -3.175 1.389 1.00 0.00 C ATOM 484 CG TRP A 51 -2.800 -2.137 0.955 1.00 0.00 C ATOM 485 CD1 TRP A 51 -2.940 -1.255 -0.061 1.00 0.00 C ATOM 486 CD2 TRP A 51 -1.518 -1.876 1.537 1.00 0.00 C ATOM 487 NE1 TRP A 51 -1.824 -0.461 -0.157 1.00 0.00 N ATOM 488 CE2 TRP A 51 -0.937 -0.821 0.807 1.00 0.00 C ATOM 489 CE3 TRP A 51 -0.806 -2.429 2.605 1.00 0.00 C ATOM 490 CZ2 TRP A 51 0.322 -0.311 1.110 1.00 0.00 C ATOM 491 CZ3 TRP A 51 0.445 -1.921 2.905 1.00 0.00 C ATOM 492 CH2 TRP A 51 0.997 -0.871 2.168 1.00 0.00 C ATOM 0 H TRP A 51 -6.069 -4.426 1.377 1.00 0.00 H new ATOM 0 HA TRP A 51 -4.254 -3.399 -0.699 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -4.598 -2.690 1.937 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -3.305 -3.864 2.080 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -3.805 -1.185 -0.704 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -1.683 0.281 -0.843 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -1.225 -3.238 3.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 0.753 0.495 0.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.006 -2.345 3.725 1.00 0.00 H new ATOM 0 HH2 TRP A 51 1.973 -0.492 2.434 1.00 0.00 H new ATOM 503 N LYS A 52 -2.678 -5.319 -0.829 1.00 0.00 N ATOM 504 CA LYS A 52 -1.889 -6.520 -1.088 1.00 0.00 C ATOM 505 C LYS A 52 -0.447 -6.153 -1.420 1.00 0.00 C ATOM 506 O LYS A 52 -0.195 -5.236 -2.204 1.00 0.00 O ATOM 507 CB LYS A 52 -2.501 -7.328 -2.226 1.00 0.00 C ATOM 508 CG LYS A 52 -3.482 -8.393 -1.763 1.00 0.00 C ATOM 509 CD LYS A 52 -3.973 -9.241 -2.925 1.00 0.00 C ATOM 510 CE LYS A 52 -5.316 -9.887 -2.628 1.00 0.00 C ATOM 511 NZ LYS A 52 -5.212 -11.370 -2.544 1.00 0.00 N ATOM 0 H LYS A 52 -2.414 -4.515 -1.399 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.893 -7.131 -0.185 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.012 -6.648 -2.908 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.701 -7.805 -2.792 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.003 -9.032 -1.021 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.332 -7.918 -1.273 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.058 -8.620 -3.817 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.238 -10.016 -3.145 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.707 -9.497 -1.688 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.029 -9.617 -3.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.149 -11.773 -2.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.863 -11.745 -3.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.551 -11.629 -1.784 1.00 0.00 H new ATOM 525 N LEU A 53 0.498 -6.865 -0.809 1.00 0.00 N ATOM 526 CA LEU A 53 1.913 -6.604 -1.043 1.00 0.00 C ATOM 527 C LEU A 53 2.737 -7.881 -0.926 1.00 0.00 C ATOM 528 O LEU A 53 2.356 -8.817 -0.232 1.00 0.00 O ATOM 529 CB LEU A 53 2.427 -5.560 -0.050 1.00 0.00 C ATOM 530 CG LEU A 53 2.033 -5.806 1.391 1.00 0.00 C ATOM 531 CD1 LEU A 53 3.130 -6.564 2.128 1.00 0.00 C ATOM 532 CD2 LEU A 53 1.737 -4.488 2.091 1.00 0.00 C ATOM 0 H LEU A 53 0.309 -7.622 -0.152 1.00 0.00 H new ATOM 0 HA LEU A 53 2.021 -6.221 -2.058 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.515 -5.523 -0.113 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.057 -4.580 -0.351 1.00 0.00 H new ATOM 0 HG LEU A 53 1.130 -6.417 1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.826 -6.730 3.162 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.299 -7.524 1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.051 -5.981 2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.455 -4.681 3.126 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.625 -3.857 2.068 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.918 -3.981 1.581 1.00 0.00 H new ATOM 544 N ASN A 54 3.873 -7.909 -1.624 1.00 0.00 N ATOM 545 CA ASN A 54 4.758 -9.067 -1.589 1.00 0.00 C ATOM 546 C ASN A 54 6.038 -8.747 -0.822 1.00 0.00 C ATOM 547 O ASN A 54 6.823 -7.894 -1.235 1.00 0.00 O ATOM 548 CB ASN A 54 5.096 -9.512 -3.014 1.00 0.00 C ATOM 549 CG ASN A 54 4.710 -10.955 -3.278 1.00 0.00 C ATOM 550 OD1 ASN A 54 3.882 -11.242 -4.142 1.00 0.00 O ATOM 551 ND2 ASN A 54 5.311 -11.874 -2.530 1.00 0.00 N ATOM 0 H ASN A 54 4.198 -7.145 -2.217 1.00 0.00 H new ATOM 0 HA ASN A 54 4.243 -9.878 -1.074 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.581 -8.866 -3.725 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.165 -9.388 -3.186 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.092 -12.861 -2.661 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.992 -11.592 -1.825 1.00 0.00 H new ATOM 558 N THR A 55 6.239 -9.437 0.278 1.00 0.00 N ATOM 559 CA THR A 55 7.423 -9.224 1.105 1.00 0.00 C ATOM 560 C THR A 55 7.859 -10.523 1.773 1.00 0.00 C ATOM 561 O THR A 55 7.224 -11.564 1.603 1.00 0.00 O ATOM 562 CB THR A 55 7.140 -8.163 2.169 1.00 0.00 C ATOM 563 OG1 THR A 55 6.127 -7.275 1.735 1.00 0.00 O ATOM 564 CG2 THR A 55 8.355 -7.334 2.525 1.00 0.00 C ATOM 0 H THR A 55 5.602 -10.153 0.628 1.00 0.00 H new ATOM 0 HA THR A 55 8.230 -8.878 0.460 1.00 0.00 H new ATOM 0 HB THR A 55 6.826 -8.718 3.053 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.175 -6.445 2.254 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.085 -6.601 3.285 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.139 -7.985 2.911 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.717 -6.818 1.636 1.00 0.00 H new ATOM 572 N GLY A 56 8.943 -10.453 2.539 1.00 0.00 N ATOM 573 CA GLY A 56 9.440 -11.630 3.226 1.00 0.00 C ATOM 574 C GLY A 56 8.400 -12.233 4.150 1.00 0.00 C ATOM 575 O GLY A 56 8.272 -11.822 5.312 1.00 0.00 O ATOM 0 H GLY A 56 9.485 -9.603 2.696 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.748 -12.375 2.492 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.327 -11.365 3.802 1.00 0.00 H new ATOM 579 N ARG A 57 7.649 -13.204 3.648 1.00 0.00 N ATOM 580 CA ARG A 57 6.607 -13.860 4.422 1.00 0.00 C ATOM 581 C ARG A 57 5.441 -12.907 4.667 1.00 0.00 C ATOM 582 O ARG A 57 4.348 -13.099 4.134 1.00 0.00 O ATOM 583 CB ARG A 57 7.167 -14.358 5.758 1.00 0.00 C ATOM 584 CG ARG A 57 6.520 -15.642 6.250 1.00 0.00 C ATOM 585 CD ARG A 57 6.040 -15.515 7.696 1.00 0.00 C ATOM 586 NE ARG A 57 6.431 -16.666 8.499 1.00 0.00 N ATOM 587 CZ ARG A 57 7.649 -16.833 9.010 1.00 0.00 C ATOM 588 NH1 ARG A 57 8.597 -15.929 8.794 1.00 0.00 N ATOM 589 NH2 ARG A 57 7.920 -17.908 9.737 1.00 0.00 N ATOM 0 H ARG A 57 7.745 -13.557 2.696 1.00 0.00 H new ATOM 0 HA ARG A 57 6.245 -14.715 3.852 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.240 -14.518 5.655 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.032 -13.582 6.511 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.676 -15.894 5.607 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.234 -16.462 6.174 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.452 -14.607 8.137 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.955 -15.413 7.711 1.00 0.00 H new ATOM 0 HE ARG A 57 5.731 -17.386 8.680 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.394 -15.101 8.234 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.528 -16.062 9.188 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.196 -18.606 9.904 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.853 -18.037 10.129 1.00 0.00 H new ATOM 603 N THR A 58 5.684 -11.876 5.473 1.00 0.00 N ATOM 604 CA THR A 58 4.658 -10.886 5.787 1.00 0.00 C ATOM 605 C THR A 58 5.159 -9.905 6.843 1.00 0.00 C ATOM 606 O THR A 58 5.845 -10.294 7.796 1.00 0.00 O ATOM 607 CB THR A 58 3.377 -11.568 6.277 1.00 0.00 C ATOM 608 OG1 THR A 58 3.646 -12.887 6.719 1.00 0.00 O ATOM 609 CG2 THR A 58 2.299 -11.650 5.217 1.00 0.00 C ATOM 0 H THR A 58 6.584 -11.705 5.921 1.00 0.00 H new ATOM 0 HA THR A 58 4.435 -10.335 4.873 1.00 0.00 H new ATOM 0 HB THR A 58 3.014 -10.945 7.094 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.815 -13.304 7.029 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.419 -12.144 5.630 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.031 -10.645 4.892 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.669 -12.221 4.365 1.00 0.00 H new ATOM 617 N GLU A 59 4.811 -8.634 6.677 1.00 0.00 N ATOM 618 CA GLU A 59 5.224 -7.598 7.618 1.00 0.00 C ATOM 619 C GLU A 59 4.682 -6.235 7.201 1.00 0.00 C ATOM 620 O GLU A 59 5.364 -5.218 7.340 1.00 0.00 O ATOM 621 CB GLU A 59 6.751 -7.545 7.713 1.00 0.00 C ATOM 622 CG GLU A 59 7.442 -7.440 6.363 1.00 0.00 C ATOM 623 CD GLU A 59 8.806 -6.786 6.455 1.00 0.00 C ATOM 624 OE1 GLU A 59 9.688 -7.346 7.148 1.00 0.00 O ATOM 625 OE2 GLU A 59 8.993 -5.714 5.842 1.00 0.00 O ATOM 0 H GLU A 59 4.244 -8.296 5.900 1.00 0.00 H new ATOM 0 HA GLU A 59 4.814 -7.848 8.596 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.039 -6.691 8.326 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.106 -8.439 8.225 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.549 -8.437 5.936 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.814 -6.867 5.681 1.00 0.00 H new ATOM 632 N ALA A 60 3.450 -6.218 6.708 1.00 0.00 N ATOM 633 CA ALA A 60 2.813 -4.976 6.265 1.00 0.00 C ATOM 634 C ALA A 60 1.498 -5.245 5.552 1.00 0.00 C ATOM 635 O ALA A 60 0.584 -4.421 5.569 1.00 0.00 O ATOM 636 CB ALA A 60 3.754 -4.178 5.370 1.00 0.00 C ATOM 0 H ALA A 60 2.868 -7.049 6.603 1.00 0.00 H new ATOM 0 HA ALA A 60 2.592 -4.385 7.154 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.262 -3.259 5.052 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.660 -3.931 5.923 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.014 -4.772 4.494 1.00 0.00 H new ATOM 642 N TRP A 61 1.411 -6.400 4.908 1.00 0.00 N ATOM 643 CA TRP A 61 0.210 -6.781 4.165 1.00 0.00 C ATOM 644 C TRP A 61 -1.014 -6.782 5.077 1.00 0.00 C ATOM 645 O TRP A 61 -1.096 -7.567 6.022 1.00 0.00 O ATOM 646 CB TRP A 61 0.393 -8.163 3.534 1.00 0.00 C ATOM 647 CG TRP A 61 -0.801 -8.629 2.755 1.00 0.00 C ATOM 648 CD1 TRP A 61 -1.761 -7.847 2.188 1.00 0.00 C ATOM 649 CD2 TRP A 61 -1.161 -9.984 2.467 1.00 0.00 C ATOM 650 NE1 TRP A 61 -2.696 -8.633 1.560 1.00 0.00 N ATOM 651 CE2 TRP A 61 -2.350 -9.950 1.714 1.00 0.00 C ATOM 652 CE3 TRP A 61 -0.593 -11.225 2.773 1.00 0.00 C ATOM 653 CZ2 TRP A 61 -2.979 -11.107 1.263 1.00 0.00 C ATOM 654 CZ3 TRP A 61 -1.219 -12.372 2.332 1.00 0.00 C ATOM 655 CH2 TRP A 61 -2.401 -12.306 1.584 1.00 0.00 C ATOM 0 H TRP A 61 2.158 -7.094 4.883 1.00 0.00 H new ATOM 0 HA TRP A 61 0.052 -6.047 3.375 1.00 0.00 H new ATOM 0 HB2 TRP A 61 1.261 -8.140 2.875 1.00 0.00 H new ATOM 0 HB3 TRP A 61 0.609 -8.887 4.320 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -1.784 -6.768 2.226 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -3.516 -8.291 1.059 1.00 0.00 H new ATOM 0 HE3 TRP A 61 0.321 -11.284 3.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -3.888 -11.061 0.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -0.791 -13.335 2.567 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -2.867 -13.222 1.253 1.00 0.00 H new ATOM 666 N LYS A 62 -1.961 -5.896 4.785 1.00 0.00 N ATOM 667 CA LYS A 62 -3.182 -5.794 5.578 1.00 0.00 C ATOM 668 C LYS A 62 -4.414 -5.762 4.678 1.00 0.00 C ATOM 669 O LYS A 62 -4.307 -5.565 3.476 1.00 0.00 O ATOM 670 CB LYS A 62 -3.143 -4.542 6.455 1.00 0.00 C ATOM 671 CG LYS A 62 -3.168 -3.241 5.666 1.00 0.00 C ATOM 672 CD LYS A 62 -4.430 -2.441 5.947 1.00 0.00 C ATOM 673 CE LYS A 62 -4.469 -1.945 7.392 1.00 0.00 C ATOM 674 NZ LYS A 62 -5.635 -1.053 7.633 1.00 0.00 N ATOM 0 H LYS A 62 -1.907 -5.239 4.007 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.245 -6.674 6.218 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.994 -4.560 7.136 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.243 -4.567 7.069 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.293 -2.643 5.921 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.105 -3.460 4.600 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.481 -1.590 5.268 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.306 -3.060 5.750 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.517 -2.798 8.069 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.547 -1.409 7.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.630 -0.735 8.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.576 -0.227 7.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.515 -1.573 7.441 1.00 0.00 H new ATOM 688 N VAL A 63 -5.583 -5.955 5.279 1.00 0.00 N ATOM 689 CA VAL A 63 -6.837 -5.946 4.534 1.00 0.00 C ATOM 690 C VAL A 63 -7.756 -4.833 5.026 1.00 0.00 C ATOM 691 O VAL A 63 -8.015 -4.713 6.223 1.00 0.00 O ATOM 692 CB VAL A 63 -7.572 -7.295 4.660 1.00 0.00 C ATOM 693 CG1 VAL A 63 -8.794 -7.320 3.745 1.00 0.00 C ATOM 694 CG2 VAL A 63 -6.633 -8.447 4.321 1.00 0.00 C ATOM 0 H VAL A 63 -5.689 -6.120 6.280 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.586 -5.773 3.488 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.906 -7.413 5.691 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.303 -8.279 3.844 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.475 -6.516 4.025 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.477 -7.183 2.711 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.168 -9.392 4.415 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.273 -8.334 3.298 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.786 -8.440 5.007 1.00 0.00 H new ATOM 704 N LEU A 64 -8.246 -4.022 4.094 1.00 0.00 N ATOM 705 CA LEU A 64 -9.136 -2.918 4.433 1.00 0.00 C ATOM 706 C LEU A 64 -10.595 -3.357 4.388 1.00 0.00 C ATOM 707 O LEU A 64 -11.064 -3.867 3.363 1.00 0.00 O ATOM 708 CB LEU A 64 -8.910 -1.742 3.488 1.00 0.00 C ATOM 709 CG LEU A 64 -7.631 -0.942 3.736 1.00 0.00 C ATOM 710 CD1 LEU A 64 -7.557 -0.487 5.178 1.00 0.00 C ATOM 711 CD2 LEU A 64 -6.407 -1.770 3.372 1.00 0.00 C ATOM 0 H LEU A 64 -8.042 -4.109 3.098 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.907 -2.601 5.451 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.892 -2.117 2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.762 -1.067 3.564 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.650 -0.057 3.100 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.640 0.081 5.334 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.417 0.143 5.405 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.561 -1.357 5.835 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.505 -1.186 3.554 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.384 -2.673 3.982 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.454 -2.045 2.318 1.00 0.00 H new ATOM 723 N SER A 65 -11.308 -3.155 5.492 1.00 0.00 N ATOM 724 CA SER A 65 -12.714 -3.531 5.565 1.00 0.00 C ATOM 725 C SER A 65 -13.555 -2.376 6.105 1.00 0.00 C ATOM 726 O SER A 65 -13.048 -1.505 6.810 1.00 0.00 O ATOM 727 CB SER A 65 -12.885 -4.762 6.464 1.00 0.00 C ATOM 728 OG SER A 65 -12.121 -4.642 7.652 1.00 0.00 O ATOM 0 H SER A 65 -10.937 -2.735 6.344 1.00 0.00 H new ATOM 0 HA SER A 65 -13.057 -3.771 4.558 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.938 -4.887 6.717 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.580 -5.657 5.921 1.00 0.00 H new ATOM 0 HG SER A 65 -12.251 -5.440 8.206 1.00 0.00 H new ATOM 734 N PRO A 66 -14.860 -2.357 5.788 1.00 0.00 N ATOM 735 CA PRO A 66 -15.771 -1.303 6.237 1.00 0.00 C ATOM 736 C PRO A 66 -16.028 -1.374 7.739 1.00 0.00 C ATOM 737 O PRO A 66 -17.154 -1.609 8.178 1.00 0.00 O ATOM 738 CB PRO A 66 -17.059 -1.582 5.458 1.00 0.00 C ATOM 739 CG PRO A 66 -17.002 -3.036 5.139 1.00 0.00 C ATOM 740 CD PRO A 66 -15.547 -3.359 4.952 1.00 0.00 C ATOM 0 HA PRO A 66 -15.364 -0.307 6.060 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -17.941 -1.341 6.052 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -17.111 -0.980 4.551 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -17.434 -3.630 5.945 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -17.571 -3.261 4.237 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -15.317 -4.375 5.273 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -15.250 -3.281 3.906 1.00 0.00 H new ATOM 748 N GLN A 67 -14.975 -1.170 8.532 1.00 0.00 N ATOM 749 CA GLN A 67 -15.085 -1.210 9.977 1.00 0.00 C ATOM 750 C GLN A 67 -14.139 -0.202 10.622 1.00 0.00 C ATOM 751 O GLN A 67 -14.573 0.703 11.344 1.00 0.00 O ATOM 752 CB GLN A 67 -14.779 -2.618 10.494 1.00 0.00 C ATOM 753 CG GLN A 67 -15.660 -3.043 11.657 1.00 0.00 C ATOM 754 CD GLN A 67 -15.718 -4.549 11.822 1.00 0.00 C ATOM 755 OE1 GLN A 67 -14.696 -5.232 11.761 1.00 0.00 O ATOM 756 NE2 GLN A 67 -16.920 -5.075 12.040 1.00 0.00 N ATOM 0 H GLN A 67 -14.035 -0.975 8.188 1.00 0.00 H new ATOM 0 HA GLN A 67 -16.108 -0.946 10.247 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -14.900 -3.330 9.678 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -13.735 -2.663 10.804 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -15.284 -2.594 12.576 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -16.668 -2.658 11.504 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -17.741 -4.471 12.083 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -17.021 -6.082 12.164 1.00 0.00 H new ATOM 765 N GLY A 68 -12.845 -0.365 10.367 1.00 0.00 N ATOM 766 CA GLY A 68 -11.858 0.537 10.931 1.00 0.00 C ATOM 767 C GLY A 68 -10.471 0.302 10.367 1.00 0.00 C ATOM 768 O GLY A 68 -10.029 1.020 9.470 1.00 0.00 O ATOM 0 H GLY A 68 -12.462 -1.106 9.780 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -12.157 1.567 10.735 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.833 0.413 12.014 1.00 0.00 H new ATOM 772 N GLY A 69 -9.783 -0.706 10.894 1.00 0.00 N ATOM 773 CA GLY A 69 -8.446 -1.015 10.425 1.00 0.00 C ATOM 774 C GLY A 69 -7.925 -2.325 10.982 1.00 0.00 C ATOM 775 O GLY A 69 -8.698 -3.154 11.463 1.00 0.00 O ATOM 0 H GLY A 69 -10.128 -1.314 11.637 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -8.448 -1.062 9.336 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -7.769 -0.209 10.708 1.00 0.00 H new ATOM 779 N GLY A 70 -6.611 -2.514 10.924 1.00 0.00 N ATOM 780 CA GLY A 70 -6.011 -3.735 11.421 1.00 0.00 C ATOM 781 C GLY A 70 -4.682 -3.486 12.110 1.00 0.00 C ATOM 782 O GLY A 70 -4.476 -2.425 12.698 1.00 0.00 O ATOM 0 H GLY A 70 -5.950 -1.839 10.540 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -6.696 -4.215 12.120 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -5.864 -4.428 10.593 1.00 0.00 H new ATOM 786 N PRO A 71 -3.750 -4.455 12.053 1.00 0.00 N ATOM 787 CA PRO A 71 -2.433 -4.319 12.683 1.00 0.00 C ATOM 788 C PRO A 71 -1.569 -3.271 11.991 1.00 0.00 C ATOM 789 O PRO A 71 -0.918 -2.457 12.647 1.00 0.00 O ATOM 790 CB PRO A 71 -1.815 -5.710 12.525 1.00 0.00 C ATOM 791 CG PRO A 71 -2.510 -6.304 11.349 1.00 0.00 C ATOM 792 CD PRO A 71 -3.909 -5.753 11.373 1.00 0.00 C ATOM 0 HA PRO A 71 -2.509 -3.989 13.719 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -0.739 -5.648 12.359 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -1.966 -6.314 13.420 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.002 -6.040 10.421 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.518 -7.392 11.409 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.312 -5.634 10.367 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.591 -6.410 11.914 1.00 0.00 H new ATOM 800 N TRP A 72 -1.568 -3.297 10.662 1.00 0.00 N ATOM 801 CA TRP A 72 -0.785 -2.347 9.881 1.00 0.00 C ATOM 802 C TRP A 72 -1.240 -0.912 10.139 1.00 0.00 C ATOM 803 O TRP A 72 -0.502 0.038 9.878 1.00 0.00 O ATOM 804 CB TRP A 72 -0.898 -2.669 8.389 1.00 0.00 C ATOM 805 CG TRP A 72 0.150 -1.997 7.555 1.00 0.00 C ATOM 806 CD1 TRP A 72 1.500 -2.185 7.626 1.00 0.00 C ATOM 807 CD2 TRP A 72 -0.067 -1.025 6.526 1.00 0.00 C ATOM 808 NE1 TRP A 72 2.136 -1.392 6.701 1.00 0.00 N ATOM 809 CE2 TRP A 72 1.196 -0.670 6.014 1.00 0.00 C ATOM 810 CE3 TRP A 72 -1.206 -0.422 5.985 1.00 0.00 C ATOM 811 CZ2 TRP A 72 1.350 0.260 4.989 1.00 0.00 C ATOM 812 CZ3 TRP A 72 -1.052 0.501 4.976 1.00 0.00 C ATOM 813 CH2 TRP A 72 0.217 0.834 4.479 1.00 0.00 C ATOM 0 H TRP A 72 -2.100 -3.965 10.104 1.00 0.00 H new ATOM 0 HA TRP A 72 0.256 -2.436 10.191 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -0.825 -3.748 8.251 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -1.883 -2.368 8.033 1.00 0.00 H new ATOM 0 HD1 TRP A 72 1.996 -2.858 8.309 1.00 0.00 H new ATOM 0 HE1 TRP A 72 3.144 -1.348 6.550 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -2.189 -0.676 6.352 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 2.328 0.519 4.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -1.926 0.979 4.558 1.00 0.00 H new ATOM 0 HH2 TRP A 72 0.301 1.556 3.680 1.00 0.00 H new ATOM 824 N ASP A 73 -2.459 -0.761 10.654 1.00 0.00 N ATOM 825 CA ASP A 73 -3.009 0.559 10.946 1.00 0.00 C ATOM 826 C ASP A 73 -2.059 1.366 11.826 1.00 0.00 C ATOM 827 O ASP A 73 -1.894 2.571 11.637 1.00 0.00 O ATOM 828 CB ASP A 73 -4.370 0.422 11.635 1.00 0.00 C ATOM 829 CG ASP A 73 -4.985 1.764 11.992 1.00 0.00 C ATOM 830 OD1 ASP A 73 -4.538 2.381 12.974 1.00 0.00 O ATOM 831 OD2 ASP A 73 -5.912 2.198 11.276 1.00 0.00 O ATOM 0 H ASP A 73 -3.083 -1.536 10.877 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.136 1.090 10.002 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.051 -0.122 10.980 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.255 -0.173 12.541 1.00 0.00 H new ATOM 836 N SER A 74 -1.435 0.694 12.787 1.00 0.00 N ATOM 837 CA SER A 74 -0.500 1.350 13.704 1.00 0.00 C ATOM 838 C SER A 74 0.750 1.821 12.955 1.00 0.00 C ATOM 839 O SER A 74 1.488 2.673 13.456 1.00 0.00 O ATOM 840 CB SER A 74 -0.107 0.400 14.836 1.00 0.00 C ATOM 841 OG SER A 74 0.473 1.108 15.909 1.00 0.00 O ATOM 0 H SER A 74 -1.557 -0.305 12.954 1.00 0.00 H new ATOM 0 HA SER A 74 -0.997 2.220 14.132 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.987 -0.140 15.185 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.597 -0.344 14.464 1.00 0.00 H new ATOM 0 HG SER A 74 0.715 0.481 16.622 1.00 0.00 H new ATOM 847 N VAL A 75 0.983 1.263 11.771 1.00 0.00 N ATOM 848 CA VAL A 75 2.144 1.629 10.969 1.00 0.00 C ATOM 849 C VAL A 75 1.808 2.747 9.989 1.00 0.00 C ATOM 850 O VAL A 75 2.466 3.788 9.973 1.00 0.00 O ATOM 851 CB VAL A 75 2.687 0.420 10.192 1.00 0.00 C ATOM 852 CG1 VAL A 75 4.015 0.763 9.527 1.00 0.00 C ATOM 853 CG2 VAL A 75 2.832 -0.789 11.104 1.00 0.00 C ATOM 0 H VAL A 75 0.383 0.556 11.346 1.00 0.00 H new ATOM 0 HA VAL A 75 2.910 1.981 11.660 1.00 0.00 H new ATOM 0 HB VAL A 75 1.971 0.166 9.411 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.384 -0.106 8.982 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.872 1.592 8.834 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.741 1.048 10.289 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.218 -1.632 10.531 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.523 -0.553 11.913 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.859 -1.049 11.521 1.00 0.00 H new ATOM 863 N ALA A 76 0.784 2.527 9.180 1.00 0.00 N ATOM 864 CA ALA A 76 0.368 3.519 8.187 1.00 0.00 C ATOM 865 C ALA A 76 -1.151 3.627 8.119 1.00 0.00 C ATOM 866 O ALA A 76 -1.868 2.866 8.767 1.00 0.00 O ATOM 867 CB ALA A 76 0.934 3.173 6.819 1.00 0.00 C ATOM 0 H ALA A 76 0.224 1.675 9.187 1.00 0.00 H new ATOM 0 HA ALA A 76 0.763 4.487 8.496 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.615 3.921 6.093 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.023 3.158 6.869 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.571 2.192 6.513 1.00 0.00 H new ATOM 873 N ARG A 77 -1.634 4.582 7.329 1.00 0.00 N ATOM 874 CA ARG A 77 -3.068 4.794 7.173 1.00 0.00 C ATOM 875 C ARG A 77 -3.387 5.361 5.793 1.00 0.00 C ATOM 876 O ARG A 77 -2.560 6.039 5.183 1.00 0.00 O ATOM 877 CB ARG A 77 -3.583 5.739 8.262 1.00 0.00 C ATOM 878 CG ARG A 77 -4.618 5.104 9.174 1.00 0.00 C ATOM 879 CD ARG A 77 -3.961 4.261 10.249 1.00 0.00 C ATOM 880 NE ARG A 77 -4.326 4.700 11.604 1.00 0.00 N ATOM 881 CZ ARG A 77 -3.692 5.661 12.272 1.00 0.00 C ATOM 882 NH1 ARG A 77 -2.663 6.296 11.717 1.00 0.00 N ATOM 883 NH2 ARG A 77 -4.089 5.989 13.485 1.00 0.00 N ATOM 0 H ARG A 77 -1.052 5.221 6.787 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.568 3.831 7.272 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.741 6.081 8.864 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.017 6.621 7.791 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.223 5.883 9.638 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.294 4.484 8.585 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.250 3.218 10.117 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -2.878 4.308 10.134 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.114 4.240 12.060 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -2.357 6.047 10.776 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -2.180 7.032 12.232 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -4.881 5.507 13.910 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -3.604 6.725 13.999 1.00 0.00 H new ATOM 897 N VAL A 78 -4.591 5.079 5.307 1.00 0.00 N ATOM 898 CA VAL A 78 -5.020 5.560 3.999 1.00 0.00 C ATOM 899 C VAL A 78 -5.820 6.852 4.127 1.00 0.00 C ATOM 900 O VAL A 78 -6.782 6.925 4.891 1.00 0.00 O ATOM 901 CB VAL A 78 -5.876 4.509 3.267 1.00 0.00 C ATOM 902 CG1 VAL A 78 -6.145 4.941 1.835 1.00 0.00 C ATOM 903 CG2 VAL A 78 -5.197 3.148 3.312 1.00 0.00 C ATOM 0 H VAL A 78 -5.287 4.520 5.800 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.117 5.749 3.418 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.836 4.425 3.776 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.751 4.186 1.335 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.678 5.892 1.836 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.199 5.056 1.306 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.814 2.416 2.791 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.222 3.211 2.828 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.068 2.840 4.350 1.00 0.00 H new ATOM 913 N LEU A 79 -5.415 7.869 3.374 1.00 0.00 N ATOM 914 CA LEU A 79 -6.095 9.160 3.412 1.00 0.00 C ATOM 915 C LEU A 79 -7.425 9.095 2.664 1.00 0.00 C ATOM 916 O LEU A 79 -7.581 8.313 1.718 1.00 0.00 O ATOM 917 CB LEU A 79 -5.207 10.244 2.794 1.00 0.00 C ATOM 918 CG LEU A 79 -4.002 10.647 3.646 1.00 0.00 C ATOM 919 CD1 LEU A 79 -3.016 11.462 2.832 1.00 0.00 C ATOM 920 CD2 LEU A 79 -4.455 11.433 4.876 1.00 0.00 C ATOM 0 H LEU A 79 -4.623 7.826 2.733 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.293 9.409 4.455 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.849 9.893 1.826 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.815 11.129 2.607 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.502 9.738 3.979 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.167 11.737 3.458 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.666 10.870 1.986 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.505 12.365 2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.585 11.711 5.471 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.981 12.333 4.559 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.122 10.815 5.477 1.00 0.00 H new ATOM 932 N PRO A 80 -8.401 9.925 3.063 1.00 0.00 N ATOM 933 CA PRO A 80 -9.725 9.963 2.431 1.00 0.00 C ATOM 934 C PRO A 80 -9.646 10.062 0.910 1.00 0.00 C ATOM 935 O PRO A 80 -10.572 9.664 0.205 1.00 0.00 O ATOM 936 CB PRO A 80 -10.358 11.226 3.024 1.00 0.00 C ATOM 937 CG PRO A 80 -9.698 11.399 4.348 1.00 0.00 C ATOM 938 CD PRO A 80 -8.292 10.891 4.174 1.00 0.00 C ATOM 0 HA PRO A 80 -10.295 9.053 2.620 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -10.190 12.091 2.382 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -11.437 11.114 3.132 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.701 12.446 4.653 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -10.223 10.840 5.123 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.601 11.700 3.935 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -7.923 10.415 5.083 1.00 0.00 H new ATOM 946 N ASN A 81 -8.534 10.596 0.409 1.00 0.00 N ATOM 947 CA ASN A 81 -8.341 10.743 -1.013 1.00 0.00 C ATOM 948 C ASN A 81 -7.758 9.473 -1.635 1.00 0.00 C ATOM 949 O ASN A 81 -7.348 9.475 -2.804 1.00 0.00 O ATOM 950 CB ASN A 81 -7.428 11.932 -1.303 1.00 0.00 C ATOM 951 CG ASN A 81 -8.119 13.008 -2.118 1.00 0.00 C ATOM 952 OD1 ASN A 81 -9.316 13.245 -1.972 1.00 0.00 O ATOM 953 ND2 ASN A 81 -7.364 13.665 -2.991 1.00 0.00 N ATOM 0 H ASN A 81 -7.757 10.932 0.977 1.00 0.00 H new ATOM 0 HA ASN A 81 -9.318 10.920 -1.463 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.083 12.359 -0.362 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -6.544 11.586 -1.839 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -7.774 14.397 -3.571 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -6.374 13.438 -3.082 1.00 0.00 H new ATOM 960 N GLY A 82 -7.723 8.389 -0.862 1.00 0.00 N ATOM 961 CA GLY A 82 -7.187 7.138 -1.367 1.00 0.00 C ATOM 962 C GLY A 82 -5.676 7.164 -1.474 1.00 0.00 C ATOM 963 O GLY A 82 -5.108 6.680 -2.460 1.00 0.00 O ATOM 0 H GLY A 82 -8.055 8.356 0.102 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.489 6.323 -0.709 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.615 6.931 -2.348 1.00 0.00 H new ATOM 967 N SER A 83 -5.025 7.735 -0.466 1.00 0.00 N ATOM 968 CA SER A 83 -3.570 7.826 -0.451 1.00 0.00 C ATOM 969 C SER A 83 -2.979 6.943 0.626 1.00 0.00 C ATOM 970 O SER A 83 -3.684 6.151 1.249 1.00 0.00 O ATOM 971 CB SER A 83 -3.133 9.277 -0.241 1.00 0.00 C ATOM 972 OG SER A 83 -1.785 9.466 -0.635 1.00 0.00 O ATOM 0 H SER A 83 -5.482 8.141 0.350 1.00 0.00 H new ATOM 0 HA SER A 83 -3.200 7.478 -1.416 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.779 9.941 -0.815 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.250 9.547 0.809 1.00 0.00 H new ATOM 0 HG SER A 83 -1.481 10.352 -0.347 1.00 0.00 H new ATOM 978 N LEU A 84 -1.677 7.087 0.850 1.00 0.00 N ATOM 979 CA LEU A 84 -0.983 6.305 1.866 1.00 0.00 C ATOM 980 C LEU A 84 0.147 7.114 2.500 1.00 0.00 C ATOM 981 O LEU A 84 1.002 7.649 1.796 1.00 0.00 O ATOM 982 CB LEU A 84 -0.425 5.019 1.264 1.00 0.00 C ATOM 983 CG LEU A 84 -0.275 3.851 2.237 1.00 0.00 C ATOM 984 CD1 LEU A 84 -1.057 2.640 1.760 1.00 0.00 C ATOM 985 CD2 LEU A 84 1.193 3.501 2.436 1.00 0.00 C ATOM 0 H LEU A 84 -1.081 7.739 0.341 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.705 6.049 2.642 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.076 4.708 0.447 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.551 5.235 0.829 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.686 4.159 3.198 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.933 1.823 2.471 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.114 2.896 1.683 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.687 2.330 0.783 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.277 2.667 3.132 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.633 3.221 1.479 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.722 4.365 2.839 1.00 0.00 H new ATOM 997 N PHE A 85 0.145 7.201 3.818 1.00 0.00 N ATOM 998 CA PHE A 85 1.171 7.946 4.538 1.00 0.00 C ATOM 999 C PHE A 85 1.795 7.090 5.644 1.00 0.00 C ATOM 1000 O PHE A 85 1.106 6.316 6.302 1.00 0.00 O ATOM 1001 CB PHE A 85 0.574 9.224 5.137 1.00 0.00 C ATOM 1002 CG PHE A 85 1.506 9.959 6.068 1.00 0.00 C ATOM 1003 CD1 PHE A 85 2.816 10.213 5.685 1.00 0.00 C ATOM 1004 CD2 PHE A 85 1.071 10.394 7.302 1.00 0.00 C ATOM 1005 CE1 PHE A 85 3.674 10.888 6.540 1.00 0.00 C ATOM 1006 CE2 PHE A 85 1.926 11.069 8.153 1.00 0.00 C ATOM 1007 CZ PHE A 85 3.229 11.317 7.776 1.00 0.00 C ATOM 0 H PHE A 85 -0.557 6.765 4.416 1.00 0.00 H new ATOM 0 HA PHE A 85 1.955 8.216 3.830 1.00 0.00 H new ATOM 0 HB2 PHE A 85 0.285 9.893 4.326 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -0.337 8.968 5.679 1.00 0.00 H new ATOM 0 HD1 PHE A 85 3.168 9.884 4.718 1.00 0.00 H new ATOM 0 HD2 PHE A 85 0.052 10.205 7.607 1.00 0.00 H new ATOM 0 HE1 PHE A 85 4.693 11.079 6.239 1.00 0.00 H new ATOM 0 HE2 PHE A 85 1.572 11.403 9.117 1.00 0.00 H new ATOM 0 HZ PHE A 85 3.897 11.843 8.442 1.00 0.00 H new ATOM 1017 N LEU A 86 3.103 7.235 5.821 1.00 0.00 N ATOM 1018 CA LEU A 86 3.823 6.477 6.838 1.00 0.00 C ATOM 1019 C LEU A 86 4.663 7.406 7.713 1.00 0.00 C ATOM 1020 O LEU A 86 5.443 8.208 7.201 1.00 0.00 O ATOM 1021 CB LEU A 86 4.723 5.430 6.179 1.00 0.00 C ATOM 1022 CG LEU A 86 4.059 4.078 5.924 1.00 0.00 C ATOM 1023 CD1 LEU A 86 4.527 3.502 4.596 1.00 0.00 C ATOM 1024 CD2 LEU A 86 4.353 3.111 7.060 1.00 0.00 C ATOM 0 H LEU A 86 3.686 7.869 5.275 1.00 0.00 H new ATOM 0 HA LEU A 86 3.091 5.973 7.469 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.082 5.827 5.229 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.598 5.275 6.811 1.00 0.00 H new ATOM 0 HG LEU A 86 2.980 4.227 5.877 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.046 2.539 4.427 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.263 4.186 3.789 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.609 3.368 4.618 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.871 2.155 6.858 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.430 2.964 7.143 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.970 3.520 7.995 1.00 0.00 H new ATOM 1036 N PRO A 87 4.519 7.314 9.049 1.00 0.00 N ATOM 1037 CA PRO A 87 5.278 8.157 9.988 1.00 0.00 C ATOM 1038 C PRO A 87 6.783 8.017 9.779 1.00 0.00 C ATOM 1039 O PRO A 87 7.500 9.011 9.658 1.00 0.00 O ATOM 1040 CB PRO A 87 4.873 7.631 11.368 1.00 0.00 C ATOM 1041 CG PRO A 87 3.564 6.955 11.145 1.00 0.00 C ATOM 1042 CD PRO A 87 3.616 6.387 9.764 1.00 0.00 C ATOM 0 HA PRO A 87 5.061 9.217 9.855 1.00 0.00 H new ATOM 0 HB2 PRO A 87 5.616 6.937 11.761 1.00 0.00 H new ATOM 0 HB3 PRO A 87 4.782 8.442 12.090 1.00 0.00 H new ATOM 0 HG2 PRO A 87 3.401 6.169 11.883 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.740 7.661 11.244 1.00 0.00 H new ATOM 0 HD2 PRO A 87 4.002 5.368 9.762 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.628 6.354 9.305 1.00 0.00 H new ATOM 1050 N ALA A 88 7.254 6.776 9.752 1.00 0.00 N ATOM 1051 CA ALA A 88 8.673 6.499 9.564 1.00 0.00 C ATOM 1052 C ALA A 88 8.876 5.249 8.706 1.00 0.00 C ATOM 1053 O ALA A 88 8.805 4.128 9.207 1.00 0.00 O ATOM 1054 CB ALA A 88 9.364 6.342 10.903 1.00 0.00 C ATOM 0 H ALA A 88 6.673 5.944 9.858 1.00 0.00 H new ATOM 0 HA ALA A 88 9.118 7.345 9.041 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.422 6.136 10.744 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.256 7.261 11.478 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.912 5.516 11.451 1.00 0.00 H new ATOM 1060 N VAL A 89 9.128 5.452 7.418 1.00 0.00 N ATOM 1061 CA VAL A 89 9.340 4.341 6.498 1.00 0.00 C ATOM 1062 C VAL A 89 10.727 3.736 6.679 1.00 0.00 C ATOM 1063 O VAL A 89 11.737 4.404 6.466 1.00 0.00 O ATOM 1064 CB VAL A 89 9.175 4.786 5.040 1.00 0.00 C ATOM 1065 CG1 VAL A 89 9.204 3.584 4.101 1.00 0.00 C ATOM 1066 CG2 VAL A 89 7.886 5.576 4.864 1.00 0.00 C ATOM 0 H VAL A 89 9.190 6.375 6.988 1.00 0.00 H new ATOM 0 HA VAL A 89 8.586 3.589 6.729 1.00 0.00 H new ATOM 0 HB VAL A 89 10.012 5.436 4.785 1.00 0.00 H new ATOM 0 HG11 VAL A 89 9.085 3.923 3.072 1.00 0.00 H new ATOM 0 HG12 VAL A 89 10.157 3.065 4.204 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.391 2.904 4.355 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.787 5.883 3.823 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.036 4.952 5.141 1.00 0.00 H new ATOM 0 HG23 VAL A 89 7.911 6.459 5.502 1.00 0.00 H new ATOM 1076 N GLY A 90 10.767 2.468 7.084 1.00 0.00 N ATOM 1077 CA GLY A 90 12.036 1.796 7.283 1.00 0.00 C ATOM 1078 C GLY A 90 12.042 0.381 6.737 1.00 0.00 C ATOM 1079 O GLY A 90 11.464 0.111 5.692 1.00 0.00 O ATOM 0 H GLY A 90 9.944 1.897 7.277 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.826 2.371 6.800 1.00 0.00 H new ATOM 0 HA3 GLY A 90 12.266 1.771 8.348 1.00 0.00 H new ATOM 1083 N ILE A 91 12.701 -0.526 7.454 1.00 0.00 N ATOM 1084 CA ILE A 91 12.784 -1.922 7.038 1.00 0.00 C ATOM 1085 C ILE A 91 11.400 -2.554 6.956 1.00 0.00 C ATOM 1086 O ILE A 91 11.048 -3.159 5.935 1.00 0.00 O ATOM 1087 CB ILE A 91 13.641 -2.752 8.011 1.00 0.00 C ATOM 1088 CG1 ILE A 91 14.911 -1.988 8.397 1.00 0.00 C ATOM 1089 CG2 ILE A 91 13.991 -4.097 7.390 1.00 0.00 C ATOM 1090 CD1 ILE A 91 14.866 -1.408 9.794 1.00 0.00 C ATOM 0 H ILE A 91 13.186 -0.318 8.327 1.00 0.00 H new ATOM 0 HA ILE A 91 13.250 -1.925 6.053 1.00 0.00 H new ATOM 0 HB ILE A 91 13.063 -2.930 8.918 1.00 0.00 H new ATOM 0 HG12 ILE A 91 15.767 -2.658 8.318 1.00 0.00 H new ATOM 0 HG13 ILE A 91 15.071 -1.181 7.682 1.00 0.00 H new ATOM 0 HG21 ILE A 91 14.597 -4.674 8.089 1.00 0.00 H new ATOM 0 HG22 ILE A 91 13.075 -4.644 7.167 1.00 0.00 H new ATOM 0 HG23 ILE A 91 14.552 -3.938 6.469 1.00 0.00 H new ATOM 0 HD11 ILE A 91 15.798 -0.881 9.999 1.00 0.00 H new ATOM 0 HD12 ILE A 91 14.031 -0.712 9.872 1.00 0.00 H new ATOM 0 HD13 ILE A 91 14.737 -2.213 10.518 1.00 0.00 H new ATOM 1102 N GLN A 92 10.619 -2.412 8.014 1.00 0.00 N ATOM 1103 CA GLN A 92 9.272 -2.972 8.064 1.00 0.00 C ATOM 1104 C GLN A 92 8.441 -2.482 6.875 1.00 0.00 C ATOM 1105 O GLN A 92 7.474 -3.129 6.473 1.00 0.00 O ATOM 1106 CB GLN A 92 8.582 -2.599 9.369 1.00 0.00 C ATOM 1107 CG GLN A 92 9.448 -2.826 10.598 1.00 0.00 C ATOM 1108 CD GLN A 92 9.924 -1.531 11.225 1.00 0.00 C ATOM 1109 OE1 GLN A 92 10.284 -0.584 10.525 1.00 0.00 O ATOM 1110 NE2 GLN A 92 9.928 -1.481 12.553 1.00 0.00 N ATOM 0 H GLN A 92 10.895 -1.910 8.858 1.00 0.00 H new ATOM 0 HA GLN A 92 9.356 -4.057 8.011 1.00 0.00 H new ATOM 0 HB2 GLN A 92 8.289 -1.550 9.329 1.00 0.00 H new ATOM 0 HB3 GLN A 92 7.666 -3.182 9.466 1.00 0.00 H new ATOM 0 HG2 GLN A 92 8.883 -3.396 11.336 1.00 0.00 H new ATOM 0 HG3 GLN A 92 10.312 -3.430 10.322 1.00 0.00 H new ATOM 0 HE21 GLN A 92 9.621 -2.289 13.095 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.238 -0.635 13.031 1.00 0.00 H new ATOM 1119 N ASP A 93 8.824 -1.336 6.321 1.00 0.00 N ATOM 1120 CA ASP A 93 8.115 -0.763 5.186 1.00 0.00 C ATOM 1121 C ASP A 93 8.691 -1.266 3.865 1.00 0.00 C ATOM 1122 O ASP A 93 8.041 -1.177 2.823 1.00 0.00 O ATOM 1123 CB ASP A 93 8.179 0.764 5.237 1.00 0.00 C ATOM 1124 CG ASP A 93 7.072 1.358 6.083 1.00 0.00 C ATOM 1125 OD1 ASP A 93 5.913 1.378 5.615 1.00 0.00 O ATOM 1126 OD2 ASP A 93 7.360 1.801 7.215 1.00 0.00 O ATOM 0 H ASP A 93 9.622 -0.787 6.641 1.00 0.00 H new ATOM 0 HA ASP A 93 7.074 -1.079 5.246 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.145 1.072 5.638 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.113 1.162 4.224 1.00 0.00 H new ATOM 1131 N GLU A 94 9.914 -1.795 3.907 1.00 0.00 N ATOM 1132 CA GLU A 94 10.561 -2.309 2.702 1.00 0.00 C ATOM 1133 C GLU A 94 9.669 -3.325 1.993 1.00 0.00 C ATOM 1134 O GLU A 94 8.571 -3.632 2.458 1.00 0.00 O ATOM 1135 CB GLU A 94 11.905 -2.951 3.049 1.00 0.00 C ATOM 1136 CG GLU A 94 12.975 -1.948 3.447 1.00 0.00 C ATOM 1137 CD GLU A 94 14.283 -2.613 3.826 1.00 0.00 C ATOM 1138 OE1 GLU A 94 14.272 -3.465 4.739 1.00 0.00 O ATOM 1139 OE2 GLU A 94 15.318 -2.282 3.211 1.00 0.00 O ATOM 0 H GLU A 94 10.472 -1.878 4.756 1.00 0.00 H new ATOM 0 HA GLU A 94 10.731 -1.468 2.029 1.00 0.00 H new ATOM 0 HB2 GLU A 94 11.760 -3.658 3.866 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.257 -3.523 2.191 1.00 0.00 H new ATOM 0 HG2 GLU A 94 13.148 -1.259 2.620 1.00 0.00 H new ATOM 0 HG3 GLU A 94 12.617 -1.354 4.288 1.00 0.00 H new ATOM 1146 N GLY A 95 10.148 -3.842 0.867 1.00 0.00 N ATOM 1147 CA GLY A 95 9.380 -4.818 0.114 1.00 0.00 C ATOM 1148 C GLY A 95 8.629 -4.193 -1.031 1.00 0.00 C ATOM 1149 O GLY A 95 8.843 -3.026 -1.361 1.00 0.00 O ATOM 0 H GLY A 95 11.053 -3.604 0.462 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.051 -5.587 -0.270 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.675 -5.315 0.780 1.00 0.00 H new ATOM 1153 N ILE A 96 7.746 -4.971 -1.649 1.00 0.00 N ATOM 1154 CA ILE A 96 6.960 -4.487 -2.779 1.00 0.00 C ATOM 1155 C ILE A 96 5.486 -4.367 -2.407 1.00 0.00 C ATOM 1156 O ILE A 96 4.916 -5.271 -1.795 1.00 0.00 O ATOM 1157 CB ILE A 96 7.094 -5.415 -4.002 1.00 0.00 C ATOM 1158 CG1 ILE A 96 8.558 -5.811 -4.224 1.00 0.00 C ATOM 1159 CG2 ILE A 96 6.534 -4.738 -5.243 1.00 0.00 C ATOM 1160 CD1 ILE A 96 8.835 -7.272 -3.942 1.00 0.00 C ATOM 0 H ILE A 96 7.557 -5.938 -1.387 1.00 0.00 H new ATOM 0 HA ILE A 96 7.352 -3.503 -3.038 1.00 0.00 H new ATOM 0 HB ILE A 96 6.520 -6.321 -3.810 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.834 -5.589 -5.255 1.00 0.00 H new ATOM 0 HG13 ILE A 96 9.193 -5.198 -3.584 1.00 0.00 H new ATOM 0 HG21 ILE A 96 6.636 -5.405 -6.099 1.00 0.00 H new ATOM 0 HG22 ILE A 96 5.480 -4.506 -5.087 1.00 0.00 H new ATOM 0 HG23 ILE A 96 7.084 -3.817 -5.434 1.00 0.00 H new ATOM 0 HD11 ILE A 96 9.890 -7.483 -4.119 1.00 0.00 H new ATOM 0 HD12 ILE A 96 8.590 -7.495 -2.904 1.00 0.00 H new ATOM 0 HD13 ILE A 96 8.225 -7.891 -4.600 1.00 0.00 H new ATOM 1172 N PHE A 97 4.874 -3.246 -2.775 1.00 0.00 N ATOM 1173 CA PHE A 97 3.466 -3.010 -2.473 1.00 0.00 C ATOM 1174 C PHE A 97 2.609 -3.100 -3.733 1.00 0.00 C ATOM 1175 O PHE A 97 3.114 -2.995 -4.850 1.00 0.00 O ATOM 1176 CB PHE A 97 3.287 -1.638 -1.822 1.00 0.00 C ATOM 1177 CG PHE A 97 3.992 -1.501 -0.503 1.00 0.00 C ATOM 1178 CD1 PHE A 97 3.396 -1.947 0.650 1.00 0.00 C ATOM 1179 CD2 PHE A 97 5.251 -0.926 -0.440 1.00 0.00 C ATOM 1180 CE1 PHE A 97 4.043 -1.822 1.865 1.00 0.00 C ATOM 1181 CE2 PHE A 97 5.903 -0.798 0.772 1.00 0.00 C ATOM 1182 CZ PHE A 97 5.297 -1.247 1.922 1.00 0.00 C ATOM 0 H PHE A 97 5.330 -2.487 -3.282 1.00 0.00 H new ATOM 0 HA PHE A 97 3.138 -3.784 -1.779 1.00 0.00 H new ATOM 0 HB2 PHE A 97 3.656 -0.871 -2.503 1.00 0.00 H new ATOM 0 HB3 PHE A 97 2.223 -1.450 -1.677 1.00 0.00 H new ATOM 0 HD1 PHE A 97 2.416 -2.398 0.608 1.00 0.00 H new ATOM 0 HD2 PHE A 97 5.726 -0.575 -1.344 1.00 0.00 H new ATOM 0 HE1 PHE A 97 3.568 -2.174 2.769 1.00 0.00 H new ATOM 0 HE2 PHE A 97 6.884 -0.348 0.816 1.00 0.00 H new ATOM 0 HZ PHE A 97 5.803 -1.150 2.871 1.00 0.00 H new ATOM 1192 N ARG A 98 1.308 -3.290 -3.548 1.00 0.00 N ATOM 1193 CA ARG A 98 0.371 -3.389 -4.654 1.00 0.00 C ATOM 1194 C ARG A 98 -1.011 -2.889 -4.243 1.00 0.00 C ATOM 1195 O ARG A 98 -1.428 -3.062 -3.097 1.00 0.00 O ATOM 1196 CB ARG A 98 0.280 -4.835 -5.156 1.00 0.00 C ATOM 1197 CG ARG A 98 -0.454 -4.980 -6.471 1.00 0.00 C ATOM 1198 CD ARG A 98 0.296 -5.892 -7.430 1.00 0.00 C ATOM 1199 NE ARG A 98 -0.212 -7.261 -7.395 1.00 0.00 N ATOM 1200 CZ ARG A 98 -1.313 -7.661 -8.029 1.00 0.00 C ATOM 1201 NH1 ARG A 98 -2.026 -6.798 -8.743 1.00 0.00 N ATOM 1202 NH2 ARG A 98 -1.701 -8.925 -7.956 1.00 0.00 N ATOM 0 H ARG A 98 0.876 -3.379 -2.628 1.00 0.00 H new ATOM 0 HA ARG A 98 0.739 -2.759 -5.464 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.288 -5.235 -5.267 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -0.222 -5.441 -4.402 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -1.451 -5.382 -6.290 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -0.584 -3.998 -6.927 1.00 0.00 H new ATOM 0 HD2 ARG A 98 0.212 -5.500 -8.444 1.00 0.00 H new ATOM 0 HD3 ARG A 98 1.356 -5.892 -7.176 1.00 0.00 H new ATOM 0 HE ARG A 98 0.307 -7.952 -6.853 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -1.731 -5.824 -8.808 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -2.868 -7.109 -9.227 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -1.156 -9.595 -7.413 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -2.545 -9.228 -8.443 1.00 0.00 H new ATOM 1216 N CYS A 99 -1.716 -2.265 -5.181 1.00 0.00 N ATOM 1217 CA CYS A 99 -3.047 -1.736 -4.910 1.00 0.00 C ATOM 1218 C CYS A 99 -4.128 -2.641 -5.497 1.00 0.00 C ATOM 1219 O CYS A 99 -3.902 -3.331 -6.491 1.00 0.00 O ATOM 1220 CB CYS A 99 -3.183 -0.323 -5.479 1.00 0.00 C ATOM 1221 SG CYS A 99 -2.927 1.001 -4.260 1.00 0.00 S ATOM 0 H CYS A 99 -1.388 -2.114 -6.135 1.00 0.00 H new ATOM 0 HA CYS A 99 -3.180 -1.700 -3.829 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -2.464 -0.199 -6.289 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -4.176 -0.213 -5.914 1.00 0.00 H new ATOM 1226 N GLN A 100 -5.301 -2.629 -4.871 1.00 0.00 N ATOM 1227 CA GLN A 100 -6.422 -3.443 -5.325 1.00 0.00 C ATOM 1228 C GLN A 100 -7.736 -2.917 -4.755 1.00 0.00 C ATOM 1229 O GLN A 100 -7.867 -2.734 -3.552 1.00 0.00 O ATOM 1230 CB GLN A 100 -6.221 -4.903 -4.914 1.00 0.00 C ATOM 1231 CG GLN A 100 -6.732 -5.901 -5.939 1.00 0.00 C ATOM 1232 CD GLN A 100 -6.456 -7.338 -5.542 1.00 0.00 C ATOM 1233 OE1 GLN A 100 -5.979 -7.609 -4.448 1.00 0.00 O ATOM 1234 NE2 GLN A 100 -6.756 -8.268 -6.441 1.00 0.00 N ATOM 0 H GLN A 100 -5.499 -2.063 -4.046 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.467 -3.385 -6.413 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.159 -5.081 -4.745 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -6.729 -5.078 -3.965 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -7.805 -5.764 -6.070 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -6.265 -5.698 -6.903 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.152 -7.998 -7.341 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -6.590 -9.252 -6.231 1.00 0.00 H new ATOM 1243 N ALA A 101 -8.703 -2.673 -5.631 1.00 0.00 N ATOM 1244 CA ALA A 101 -10.003 -2.165 -5.210 1.00 0.00 C ATOM 1245 C ALA A 101 -11.137 -2.898 -5.918 1.00 0.00 C ATOM 1246 O ALA A 101 -10.934 -3.516 -6.962 1.00 0.00 O ATOM 1247 CB ALA A 101 -10.095 -0.670 -5.474 1.00 0.00 C ATOM 0 H ALA A 101 -8.612 -2.818 -6.636 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.104 -2.343 -4.139 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -11.071 -0.304 -5.155 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.313 -0.153 -4.917 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -9.967 -0.480 -6.540 1.00 0.00 H new ATOM 1253 N MET A 102 -12.332 -2.826 -5.342 1.00 0.00 N ATOM 1254 CA MET A 102 -13.499 -3.481 -5.919 1.00 0.00 C ATOM 1255 C MET A 102 -14.709 -2.554 -5.898 1.00 0.00 C ATOM 1256 O MET A 102 -15.226 -2.215 -4.840 1.00 0.00 O ATOM 1257 CB MET A 102 -13.815 -4.770 -5.157 1.00 0.00 C ATOM 1258 CG MET A 102 -14.959 -5.568 -5.768 1.00 0.00 C ATOM 1259 SD MET A 102 -14.753 -7.347 -5.556 1.00 0.00 S ATOM 1260 CE MET A 102 -16.329 -7.945 -6.149 1.00 0.00 C ATOM 0 H MET A 102 -12.517 -2.320 -4.476 1.00 0.00 H new ATOM 0 HA MET A 102 -13.271 -3.727 -6.956 1.00 0.00 H new ATOM 0 HB2 MET A 102 -12.922 -5.394 -5.127 1.00 0.00 H new ATOM 0 HB3 MET A 102 -14.065 -4.522 -4.126 1.00 0.00 H new ATOM 0 HG2 MET A 102 -15.899 -5.258 -5.311 1.00 0.00 H new ATOM 0 HG3 MET A 102 -15.030 -5.338 -6.831 1.00 0.00 H new ATOM 0 HE1 MET A 102 -16.355 -9.033 -6.081 1.00 0.00 H new ATOM 0 HE2 MET A 102 -17.130 -7.524 -5.541 1.00 0.00 H new ATOM 0 HE3 MET A 102 -16.465 -7.644 -7.188 1.00 0.00 H new ATOM 1270 N ASN A 103 -15.158 -2.147 -7.081 1.00 0.00 N ATOM 1271 CA ASN A 103 -16.308 -1.259 -7.198 1.00 0.00 C ATOM 1272 C ASN A 103 -17.575 -2.050 -7.510 1.00 0.00 C ATOM 1273 O ASN A 103 -17.523 -3.261 -7.729 1.00 0.00 O ATOM 1274 CB ASN A 103 -16.061 -0.210 -8.285 1.00 0.00 C ATOM 1275 CG ASN A 103 -16.178 1.207 -7.759 1.00 0.00 C ATOM 1276 OD1 ASN A 103 -15.801 1.492 -6.622 1.00 0.00 O ATOM 1277 ND2 ASN A 103 -16.703 2.104 -8.585 1.00 0.00 N ATOM 0 H ASN A 103 -14.742 -2.418 -7.972 1.00 0.00 H new ATOM 0 HA ASN A 103 -16.445 -0.753 -6.243 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -15.067 -0.357 -8.708 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -16.777 -0.354 -9.094 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -16.807 3.074 -8.286 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -17.002 1.824 -9.519 1.00 0.00 H new ATOM 1284 N ARG A 104 -18.710 -1.359 -7.530 1.00 0.00 N ATOM 1285 CA ARG A 104 -19.990 -1.998 -7.824 1.00 0.00 C ATOM 1286 C ARG A 104 -19.976 -2.652 -9.195 1.00 0.00 C ATOM 1287 O ARG A 104 -20.642 -3.662 -9.428 1.00 0.00 O ATOM 1288 CB ARG A 104 -21.124 -0.975 -7.740 1.00 0.00 C ATOM 1289 CG ARG A 104 -21.864 -0.996 -6.405 1.00 0.00 C ATOM 1290 CD ARG A 104 -23.114 -0.130 -6.447 1.00 0.00 C ATOM 1291 NE ARG A 104 -22.941 1.118 -5.710 1.00 0.00 N ATOM 1292 CZ ARG A 104 -23.951 1.878 -5.291 1.00 0.00 C ATOM 1293 NH1 ARG A 104 -25.206 1.520 -5.535 1.00 0.00 N ATOM 1294 NH2 ARG A 104 -23.705 2.998 -4.626 1.00 0.00 N ATOM 0 H ARG A 104 -18.771 -0.357 -7.346 1.00 0.00 H new ATOM 0 HA ARG A 104 -20.156 -2.777 -7.079 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -20.716 0.022 -7.905 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -21.835 -1.166 -8.544 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -22.138 -2.021 -6.156 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -21.202 -0.642 -5.615 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -23.365 0.093 -7.484 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -23.953 -0.685 -6.028 1.00 0.00 H new ATOM 0 HE ARG A 104 -21.991 1.426 -5.504 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -25.401 0.659 -6.046 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -25.976 2.106 -5.212 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -22.743 3.277 -4.436 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -24.478 3.581 -4.305 1.00 0.00 H new ATOM 1308 N ASN A 105 -19.213 -2.069 -10.114 1.00 0.00 N ATOM 1309 CA ASN A 105 -19.113 -2.594 -11.471 1.00 0.00 C ATOM 1310 C ASN A 105 -18.066 -3.704 -11.555 1.00 0.00 C ATOM 1311 O ASN A 105 -18.105 -4.536 -12.461 1.00 0.00 O ATOM 1312 CB ASN A 105 -18.762 -1.473 -12.449 1.00 0.00 C ATOM 1313 CG ASN A 105 -19.851 -0.422 -12.539 1.00 0.00 C ATOM 1314 OD1 ASN A 105 -19.822 0.582 -11.829 1.00 0.00 O ATOM 1315 ND2 ASN A 105 -20.822 -0.651 -13.417 1.00 0.00 N ATOM 0 H ASN A 105 -18.655 -1.233 -9.944 1.00 0.00 H new ATOM 0 HA ASN A 105 -20.082 -3.014 -11.741 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -17.830 -1.001 -12.137 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -18.589 -1.898 -13.438 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -21.583 0.020 -13.522 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -20.806 -1.498 -13.986 1.00 0.00 H new ATOM 1322 N GLY A 106 -17.133 -3.708 -10.616 1.00 0.00 N ATOM 1323 CA GLY A 106 -16.092 -4.720 -10.599 1.00 0.00 C ATOM 1324 C GLY A 106 -14.762 -4.185 -11.093 1.00 0.00 C ATOM 1325 O GLY A 106 -13.987 -4.910 -11.718 1.00 0.00 O ATOM 0 H GLY A 106 -17.076 -3.025 -9.860 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -15.974 -5.100 -9.584 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -16.396 -5.562 -11.221 1.00 0.00 H new ATOM 1329 N LYS A 107 -14.497 -2.914 -10.811 1.00 0.00 N ATOM 1330 CA LYS A 107 -13.252 -2.281 -11.230 1.00 0.00 C ATOM 1331 C LYS A 107 -12.134 -2.561 -10.230 1.00 0.00 C ATOM 1332 O LYS A 107 -12.347 -2.515 -9.018 1.00 0.00 O ATOM 1333 CB LYS A 107 -13.452 -0.771 -11.392 1.00 0.00 C ATOM 1334 CG LYS A 107 -12.181 -0.018 -11.743 1.00 0.00 C ATOM 1335 CD LYS A 107 -12.469 1.439 -12.067 1.00 0.00 C ATOM 1336 CE LYS A 107 -11.186 2.242 -12.211 1.00 0.00 C ATOM 1337 NZ LYS A 107 -11.429 3.564 -12.854 1.00 0.00 N ATOM 0 H LYS A 107 -15.128 -2.302 -10.294 1.00 0.00 H new ATOM 0 HA LYS A 107 -12.963 -2.704 -12.192 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -14.195 -0.594 -12.170 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -13.859 -0.366 -10.465 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -11.481 -0.075 -10.909 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -11.699 -0.494 -12.597 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -13.044 1.501 -12.991 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -13.085 1.873 -11.279 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -10.739 2.393 -11.228 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -10.468 1.676 -12.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -10.876 3.629 -13.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -12.441 3.663 -13.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -11.139 4.324 -12.206 1.00 0.00 H new ATOM 1351 N GLU A 108 -10.944 -2.850 -10.746 1.00 0.00 N ATOM 1352 CA GLU A 108 -9.793 -3.137 -9.897 1.00 0.00 C ATOM 1353 C GLU A 108 -8.593 -2.286 -10.301 1.00 0.00 C ATOM 1354 O GLU A 108 -8.428 -1.944 -11.480 1.00 0.00 O ATOM 1355 CB GLU A 108 -9.431 -4.621 -9.984 1.00 0.00 C ATOM 1356 CG GLU A 108 -9.316 -5.144 -11.398 1.00 0.00 C ATOM 1357 CD GLU A 108 -9.010 -6.628 -11.450 1.00 0.00 C ATOM 1358 OE1 GLU A 108 -9.716 -7.404 -10.771 1.00 0.00 O ATOM 1359 OE2 GLU A 108 -8.065 -7.015 -12.170 1.00 0.00 O ATOM 0 H GLU A 108 -10.751 -2.892 -11.747 1.00 0.00 H new ATOM 0 HA GLU A 108 -10.059 -2.892 -8.869 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -8.484 -4.784 -9.469 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -10.187 -5.200 -9.454 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -10.248 -4.951 -11.929 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -8.531 -4.597 -11.921 1.00 0.00 H new ATOM 1366 N THR A 109 -7.757 -1.949 -9.332 1.00 0.00 N ATOM 1367 CA THR A 109 -6.573 -1.137 -9.579 1.00 0.00 C ATOM 1368 C THR A 109 -5.319 -2.005 -9.619 1.00 0.00 C ATOM 1369 O THR A 109 -4.954 -2.632 -8.632 1.00 0.00 O ATOM 1370 CB THR A 109 -6.427 -0.059 -8.512 1.00 0.00 C ATOM 1371 OG1 THR A 109 -5.164 0.575 -8.598 1.00 0.00 O ATOM 1372 CG2 THR A 109 -6.567 -0.595 -7.095 1.00 0.00 C ATOM 0 H THR A 109 -7.877 -2.228 -8.358 1.00 0.00 H new ATOM 0 HA THR A 109 -6.694 -0.655 -10.549 1.00 0.00 H new ATOM 0 HB THR A 109 -7.236 0.644 -8.708 1.00 0.00 H new ATOM 0 HG1 THR A 109 -5.096 1.263 -7.904 1.00 0.00 H new ATOM 0 HG21 THR A 109 -6.453 0.223 -6.384 1.00 0.00 H new ATOM 0 HG22 THR A 109 -7.551 -1.048 -6.973 1.00 0.00 H new ATOM 0 HG23 THR A 109 -5.798 -1.345 -6.912 1.00 0.00 H new ATOM 1380 N LYS A 110 -4.662 -2.036 -10.773 1.00 0.00 N ATOM 1381 CA LYS A 110 -3.449 -2.825 -10.942 1.00 0.00 C ATOM 1382 C LYS A 110 -2.214 -1.930 -10.942 1.00 0.00 C ATOM 1383 O LYS A 110 -2.018 -1.127 -11.853 1.00 0.00 O ATOM 1384 CB LYS A 110 -3.512 -3.625 -12.252 1.00 0.00 C ATOM 1385 CG LYS A 110 -2.589 -4.833 -12.261 1.00 0.00 C ATOM 1386 CD LYS A 110 -2.203 -5.219 -13.688 1.00 0.00 C ATOM 1387 CE LYS A 110 -1.111 -6.277 -13.691 1.00 0.00 C ATOM 1388 NZ LYS A 110 -0.368 -6.293 -14.981 1.00 0.00 N ATOM 0 H LYS A 110 -4.950 -1.523 -11.606 1.00 0.00 H new ATOM 0 HA LYS A 110 -3.376 -3.517 -10.103 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -4.537 -3.958 -12.418 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -3.251 -2.970 -13.083 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.690 -4.612 -11.685 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.081 -5.675 -11.774 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -3.079 -5.595 -14.216 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -1.860 -4.336 -14.227 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -0.417 -6.086 -12.873 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.553 -7.257 -13.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 0.369 -7.026 -14.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -1.027 -6.499 -15.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 0.074 -5.365 -15.139 1.00 0.00 H new ATOM 1402 N SER A 111 -1.385 -2.072 -9.920 1.00 0.00 N ATOM 1403 CA SER A 111 -0.171 -1.273 -9.795 1.00 0.00 C ATOM 1404 C SER A 111 0.783 -1.872 -8.767 1.00 0.00 C ATOM 1405 O SER A 111 0.409 -2.102 -7.617 1.00 0.00 O ATOM 1406 CB SER A 111 -0.521 0.167 -9.411 1.00 0.00 C ATOM 1407 OG SER A 111 -0.188 1.068 -10.460 1.00 0.00 O ATOM 0 H SER A 111 -1.530 -2.736 -9.160 1.00 0.00 H new ATOM 0 HA SER A 111 0.331 -1.273 -10.763 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.586 0.240 -9.188 1.00 0.00 H new ATOM 0 HB3 SER A 111 0.014 0.446 -8.503 1.00 0.00 H new ATOM 0 HG SER A 111 -0.422 1.982 -10.193 1.00 0.00 H new ATOM 1413 N ASN A 112 2.019 -2.120 -9.189 1.00 0.00 N ATOM 1414 CA ASN A 112 3.032 -2.689 -8.306 1.00 0.00 C ATOM 1415 C ASN A 112 4.199 -1.722 -8.131 1.00 0.00 C ATOM 1416 O ASN A 112 4.820 -1.301 -9.106 1.00 0.00 O ATOM 1417 CB ASN A 112 3.536 -4.021 -8.872 1.00 0.00 C ATOM 1418 CG ASN A 112 4.371 -4.789 -7.868 1.00 0.00 C ATOM 1419 OD1 ASN A 112 5.524 -5.130 -8.125 1.00 0.00 O ATOM 1420 ND2 ASN A 112 3.793 -5.067 -6.697 1.00 0.00 N ATOM 0 H ASN A 112 2.344 -1.936 -10.138 1.00 0.00 H new ATOM 0 HA ASN A 112 2.579 -2.864 -7.330 1.00 0.00 H new ATOM 0 HB2 ASN A 112 2.685 -4.630 -9.176 1.00 0.00 H new ATOM 0 HB3 ASN A 112 4.129 -3.833 -9.767 1.00 0.00 H new ATOM 0 HD21 ASN A 112 4.310 -5.578 -5.981 1.00 0.00 H new ATOM 0 HD22 ASN A 112 2.834 -4.769 -6.518 1.00 0.00 H new ATOM 1427 N TYR A 113 4.490 -1.369 -6.885 1.00 0.00 N ATOM 1428 CA TYR A 113 5.581 -0.447 -6.589 1.00 0.00 C ATOM 1429 C TYR A 113 6.548 -1.047 -5.574 1.00 0.00 C ATOM 1430 O TYR A 113 6.136 -1.525 -4.517 1.00 0.00 O ATOM 1431 CB TYR A 113 5.027 0.879 -6.072 1.00 0.00 C ATOM 1432 CG TYR A 113 4.285 1.683 -7.116 1.00 0.00 C ATOM 1433 CD1 TYR A 113 3.153 1.173 -7.740 1.00 0.00 C ATOM 1434 CD2 TYR A 113 4.717 2.953 -7.471 1.00 0.00 C ATOM 1435 CE1 TYR A 113 2.473 1.905 -8.687 1.00 0.00 C ATOM 1436 CE2 TYR A 113 4.042 3.691 -8.432 1.00 0.00 C ATOM 1437 CZ TYR A 113 2.922 3.163 -9.029 1.00 0.00 C ATOM 1438 OH TYR A 113 2.247 3.895 -9.979 1.00 0.00 O ATOM 0 H TYR A 113 3.987 -1.706 -6.064 1.00 0.00 H new ATOM 0 HA TYR A 113 6.130 -0.266 -7.513 1.00 0.00 H new ATOM 0 HB2 TYR A 113 4.356 0.680 -5.237 1.00 0.00 H new ATOM 0 HB3 TYR A 113 5.850 1.479 -5.684 1.00 0.00 H new ATOM 0 HD1 TYR A 113 2.801 0.186 -7.478 1.00 0.00 H new ATOM 0 HD2 TYR A 113 5.590 3.372 -6.993 1.00 0.00 H new ATOM 0 HE1 TYR A 113 1.592 1.496 -9.160 1.00 0.00 H new ATOM 0 HE2 TYR A 113 4.394 4.674 -8.709 1.00 0.00 H new ATOM 0 HH TYR A 113 2.692 4.759 -10.103 1.00 0.00 H new ATOM 1448 N ARG A 114 7.835 -1.012 -5.902 1.00 0.00 N ATOM 1449 CA ARG A 114 8.865 -1.548 -5.018 1.00 0.00 C ATOM 1450 C ARG A 114 9.438 -0.447 -4.131 1.00 0.00 C ATOM 1451 O ARG A 114 9.923 0.571 -4.625 1.00 0.00 O ATOM 1452 CB ARG A 114 9.984 -2.194 -5.838 1.00 0.00 C ATOM 1453 CG ARG A 114 10.845 -3.158 -5.048 1.00 0.00 C ATOM 1454 CD ARG A 114 11.845 -2.420 -4.172 1.00 0.00 C ATOM 1455 NE ARG A 114 12.990 -3.257 -3.815 1.00 0.00 N ATOM 1456 CZ ARG A 114 14.000 -3.514 -4.642 1.00 0.00 C ATOM 1457 NH1 ARG A 114 14.011 -3.002 -5.867 1.00 0.00 N ATOM 1458 NH2 ARG A 114 15.003 -4.285 -4.252 1.00 0.00 N ATOM 0 H ARG A 114 8.190 -0.618 -6.773 1.00 0.00 H new ATOM 0 HA ARG A 114 8.409 -2.306 -4.381 1.00 0.00 H new ATOM 0 HB2 ARG A 114 9.543 -2.724 -6.682 1.00 0.00 H new ATOM 0 HB3 ARG A 114 10.618 -1.409 -6.250 1.00 0.00 H new ATOM 0 HG2 ARG A 114 10.210 -3.789 -4.426 1.00 0.00 H new ATOM 0 HG3 ARG A 114 11.377 -3.818 -5.733 1.00 0.00 H new ATOM 0 HD2 ARG A 114 12.196 -1.530 -4.695 1.00 0.00 H new ATOM 0 HD3 ARG A 114 11.348 -2.080 -3.263 1.00 0.00 H new ATOM 0 HE ARG A 114 13.016 -3.666 -2.881 1.00 0.00 H new ATOM 0 HH11 ARG A 114 13.242 -2.408 -6.178 1.00 0.00 H new ATOM 0 HH12 ARG A 114 14.788 -3.203 -6.497 1.00 0.00 H new ATOM 0 HH21 ARG A 114 15.004 -4.685 -3.314 1.00 0.00 H new ATOM 0 HH22 ARG A 114 15.775 -4.479 -4.890 1.00 0.00 H new ATOM 1472 N VAL A 115 9.376 -0.656 -2.828 1.00 0.00 N ATOM 1473 CA VAL A 115 9.885 0.323 -1.876 1.00 0.00 C ATOM 1474 C VAL A 115 11.024 -0.253 -1.034 1.00 0.00 C ATOM 1475 O VAL A 115 10.836 -1.210 -0.283 1.00 0.00 O ATOM 1476 CB VAL A 115 8.775 0.818 -0.928 1.00 0.00 C ATOM 1477 CG1 VAL A 115 9.247 2.030 -0.131 1.00 0.00 C ATOM 1478 CG2 VAL A 115 7.510 1.141 -1.701 1.00 0.00 C ATOM 0 H VAL A 115 8.979 -1.494 -2.402 1.00 0.00 H new ATOM 0 HA VAL A 115 10.258 1.160 -2.466 1.00 0.00 H new ATOM 0 HB VAL A 115 8.546 0.017 -0.225 1.00 0.00 H new ATOM 0 HG11 VAL A 115 8.448 2.363 0.532 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.120 1.758 0.462 1.00 0.00 H new ATOM 0 HG13 VAL A 115 9.510 2.836 -0.816 1.00 0.00 H new ATOM 0 HG21 VAL A 115 6.741 1.488 -1.011 1.00 0.00 H new ATOM 0 HG22 VAL A 115 7.720 1.921 -2.433 1.00 0.00 H new ATOM 0 HG23 VAL A 115 7.159 0.246 -2.215 1.00 0.00 H new ATOM 1488 N ARG A 116 12.206 0.342 -1.170 1.00 0.00 N ATOM 1489 CA ARG A 116 13.378 -0.105 -0.436 1.00 0.00 C ATOM 1490 C ARG A 116 13.994 1.053 0.335 1.00 0.00 C ATOM 1491 O ARG A 116 13.885 2.210 -0.053 1.00 0.00 O ATOM 1492 CB ARG A 116 14.413 -0.705 -1.381 1.00 0.00 C ATOM 1493 CG ARG A 116 15.475 -1.537 -0.688 1.00 0.00 C ATOM 1494 CD ARG A 116 14.878 -2.781 -0.038 1.00 0.00 C ATOM 1495 NE ARG A 116 15.240 -3.996 -0.762 1.00 0.00 N ATOM 1496 CZ ARG A 116 16.413 -4.614 -0.634 1.00 0.00 C ATOM 1497 NH1 ARG A 116 17.338 -4.134 0.173 1.00 0.00 N ATOM 1498 NH2 ARG A 116 16.661 -5.715 -1.331 1.00 0.00 N ATOM 0 H ARG A 116 12.374 1.138 -1.785 1.00 0.00 H new ATOM 0 HA ARG A 116 13.062 -0.874 0.268 1.00 0.00 H new ATOM 0 HB2 ARG A 116 13.901 -1.327 -2.116 1.00 0.00 H new ATOM 0 HB3 ARG A 116 14.899 0.102 -1.930 1.00 0.00 H new ATOM 0 HG2 ARG A 116 16.235 -1.833 -1.411 1.00 0.00 H new ATOM 0 HG3 ARG A 116 15.974 -0.933 0.070 1.00 0.00 H new ATOM 0 HD2 ARG A 116 15.225 -2.855 0.993 1.00 0.00 H new ATOM 0 HD3 ARG A 116 13.793 -2.688 -0.003 1.00 0.00 H new ATOM 0 HE ARG A 116 14.555 -4.395 -1.403 1.00 0.00 H new ATOM 0 HH11 ARG A 116 17.158 -3.283 0.706 1.00 0.00 H new ATOM 0 HH12 ARG A 116 18.233 -4.614 0.265 1.00 0.00 H new ATOM 0 HH21 ARG A 116 15.954 -6.088 -1.964 1.00 0.00 H new ATOM 0 HH22 ARG A 116 17.559 -6.189 -1.234 1.00 0.00 H new ATOM 1512 N VAL A 117 14.638 0.736 1.454 1.00 0.00 N ATOM 1513 CA VAL A 117 15.264 1.758 2.292 1.00 0.00 C ATOM 1514 C VAL A 117 16.746 1.911 1.950 1.00 0.00 C ATOM 1515 O VAL A 117 17.353 1.023 1.360 1.00 0.00 O ATOM 1516 CB VAL A 117 15.110 1.440 3.785 1.00 0.00 C ATOM 1517 CG1 VAL A 117 13.642 1.247 4.152 1.00 0.00 C ATOM 1518 CG2 VAL A 117 15.928 0.212 4.169 1.00 0.00 C ATOM 0 H VAL A 117 14.741 -0.217 1.802 1.00 0.00 H new ATOM 0 HA VAL A 117 14.750 2.697 2.087 1.00 0.00 H new ATOM 0 HB VAL A 117 15.492 2.291 4.349 1.00 0.00 H new ATOM 0 HG11 VAL A 117 13.559 1.023 5.215 1.00 0.00 H new ATOM 0 HG12 VAL A 117 13.088 2.159 3.929 1.00 0.00 H new ATOM 0 HG13 VAL A 117 13.228 0.421 3.574 1.00 0.00 H new ATOM 0 HG21 VAL A 117 15.801 0.008 5.232 1.00 0.00 H new ATOM 0 HG22 VAL A 117 15.587 -0.647 3.592 1.00 0.00 H new ATOM 0 HG23 VAL A 117 16.981 0.396 3.958 1.00 0.00 H new ATOM 1528 N TYR A 118 17.321 3.043 2.352 1.00 0.00 N ATOM 1529 CA TYR A 118 18.732 3.316 2.091 1.00 0.00 C ATOM 1530 C TYR A 118 19.614 2.213 2.680 1.00 0.00 C ATOM 1531 O TYR A 118 20.244 1.455 1.935 1.00 0.00 O ATOM 1532 CB TYR A 118 19.126 4.669 2.689 1.00 0.00 C ATOM 1533 CG TYR A 118 19.087 5.807 1.694 1.00 0.00 C ATOM 1534 CD1 TYR A 118 17.988 5.991 0.872 1.00 0.00 C ATOM 1535 CD2 TYR A 118 20.146 6.699 1.585 1.00 0.00 C ATOM 1536 CE1 TYR A 118 17.947 7.030 -0.030 1.00 0.00 C ATOM 1537 CE2 TYR A 118 20.113 7.740 0.679 1.00 0.00 C ATOM 1538 CZ TYR A 118 19.012 7.903 -0.118 1.00 0.00 C ATOM 1539 OH TYR A 118 18.974 8.939 -1.023 1.00 0.00 O ATOM 0 H TYR A 118 16.834 3.783 2.858 1.00 0.00 H new ATOM 0 HA TYR A 118 18.882 3.343 1.012 1.00 0.00 H new ATOM 0 HB2 TYR A 118 18.456 4.899 3.517 1.00 0.00 H new ATOM 0 HB3 TYR A 118 20.131 4.594 3.103 1.00 0.00 H new ATOM 0 HD1 TYR A 118 17.152 5.310 0.939 1.00 0.00 H new ATOM 0 HD2 TYR A 118 21.011 6.576 2.220 1.00 0.00 H new ATOM 0 HE1 TYR A 118 17.084 7.161 -0.666 1.00 0.00 H new ATOM 0 HE2 TYR A 118 20.948 8.420 0.600 1.00 0.00 H new ATOM 0 HH TYR A 118 19.801 9.461 -0.957 1.00 0.00 H new ATOM 1549 N GLN A 119 19.653 2.131 3.997 1.00 0.00 N ATOM 1550 CA GLN A 119 20.456 1.122 4.679 1.00 0.00 C ATOM 1551 C GLN A 119 19.615 0.348 5.687 1.00 0.00 C ATOM 1552 O GLN A 119 18.707 0.900 6.316 1.00 0.00 O ATOM 1553 CB GLN A 119 21.647 1.777 5.383 1.00 0.00 C ATOM 1554 CG GLN A 119 22.908 1.816 4.535 1.00 0.00 C ATOM 1555 CD GLN A 119 22.984 3.052 3.659 1.00 0.00 C ATOM 1556 OE1 GLN A 119 22.259 3.172 2.680 1.00 0.00 O ATOM 1557 NE2 GLN A 119 23.865 3.979 4.018 1.00 0.00 N ATOM 0 H GLN A 119 19.138 2.751 4.621 1.00 0.00 H new ATOM 0 HA GLN A 119 20.827 0.422 3.931 1.00 0.00 H new ATOM 0 HB2 GLN A 119 21.377 2.795 5.665 1.00 0.00 H new ATOM 0 HB3 GLN A 119 21.856 1.235 6.306 1.00 0.00 H new ATOM 0 HG2 GLN A 119 23.781 1.783 5.187 1.00 0.00 H new ATOM 0 HG3 GLN A 119 22.946 0.927 3.906 1.00 0.00 H new ATOM 0 HE21 GLN A 119 24.449 3.836 4.842 1.00 0.00 H new ATOM 0 HE22 GLN A 119 23.958 4.834 3.470 1.00 0.00 H new ATOM 1566 N ILE A 120 19.923 -0.936 5.847 1.00 0.00 N ATOM 1567 CA ILE A 120 19.194 -1.787 6.782 1.00 0.00 C ATOM 1568 C ILE A 120 20.079 -2.197 7.958 1.00 0.00 C ATOM 1569 O ILE A 120 20.943 -3.062 7.828 1.00 0.00 O ATOM 1570 CB ILE A 120 18.647 -3.061 6.099 1.00 0.00 C ATOM 1571 CG1 ILE A 120 19.501 -3.430 4.885 1.00 0.00 C ATOM 1572 CG2 ILE A 120 17.195 -2.859 5.690 1.00 0.00 C ATOM 1573 CD1 ILE A 120 18.971 -4.612 4.101 1.00 0.00 C ATOM 0 H ILE A 120 20.672 -1.410 5.342 1.00 0.00 H new ATOM 0 HA ILE A 120 18.353 -1.196 7.145 1.00 0.00 H new ATOM 0 HB ILE A 120 18.695 -3.884 6.812 1.00 0.00 H new ATOM 0 HG12 ILE A 120 19.567 -2.567 4.223 1.00 0.00 H new ATOM 0 HG13 ILE A 120 20.514 -3.653 5.220 1.00 0.00 H new ATOM 0 HG21 ILE A 120 16.823 -3.764 5.210 1.00 0.00 H new ATOM 0 HG22 ILE A 120 16.595 -2.644 6.574 1.00 0.00 H new ATOM 0 HG23 ILE A 120 17.126 -2.024 4.993 1.00 0.00 H new ATOM 0 HD11 ILE A 120 19.630 -4.813 3.256 1.00 0.00 H new ATOM 0 HD12 ILE A 120 18.932 -5.489 4.747 1.00 0.00 H new ATOM 0 HD13 ILE A 120 17.970 -4.386 3.735 1.00 0.00 H new ATOM 1585 N PRO A 121 19.876 -1.581 9.138 1.00 0.00 N ATOM 1586 CA PRO A 121 20.663 -1.893 10.335 1.00 0.00 C ATOM 1587 C PRO A 121 20.342 -3.275 10.893 1.00 0.00 C ATOM 1588 O PRO A 121 19.550 -4.000 10.264 1.00 0.00 O ATOM 1589 CB PRO A 121 20.248 -0.806 11.336 1.00 0.00 C ATOM 1590 CG PRO A 121 18.882 -0.401 10.904 1.00 0.00 C ATOM 1591 CD PRO A 121 18.866 -0.536 9.399 1.00 0.00 C ATOM 1592 OXT PRO A 121 20.887 -3.622 11.962 1.00 0.00 O ATOM 0 HA PRO A 121 21.732 -1.908 10.123 1.00 0.00 H new ATOM 0 HB2 PRO A 121 20.244 -1.188 12.357 1.00 0.00 H new ATOM 0 HB3 PRO A 121 20.938 0.038 11.314 1.00 0.00 H new ATOM 0 HG2 PRO A 121 18.123 -1.036 11.361 1.00 0.00 H new ATOM 0 HG3 PRO A 121 18.664 0.623 11.207 1.00 0.00 H new ATOM 0 HD2 PRO A 121 17.882 -0.828 9.032 1.00 0.00 H new ATOM 0 HD3 PRO A 121 19.123 0.403 8.909 1.00 0.00 H new TER 1600 PRO A 121